#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f4h n THR 4 N 0.00 0.08 0.07 9.51 -2.24 -1.26 -2.75 114.28 117.69 1f4h n THR 4 Ca 0.00 -0.06 0.00 0.00 -2.27 0.00 0.00 64.05 61.73 1f4h n THR 4 Cb 0.00 -0.01 -0.04 0.00 -2.10 0.00 0.00 70.33 68.18 1f4h n THR 4 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1f4h h ASP 5 N 0.00 0.00 -2.60 3.42 3.32 -1.98 -3.36 116.42 115.22 1f4h h ASP 5 Ca 0.00 0.00 -0.60 0.00 0.02 0.00 0.00 57.03 56.45 1f4h h ASP 5 Cb 0.55 0.00 0.14 0.00 0.22 0.00 0.00 39.33 40.24 1f4h h ASP 5 CO 0.00 0.58 -0.18 -1.54 -1.72 0.00 0.00 179.24 176.38 1f4h n SER 6 N -3.05 -0.05 -0.35 6.45 3.41 -1.11 -4.59 113.62 114.33 1f4h n SER 6 Ca -0.05 0.96 0.13 0.00 -0.26 0.00 0.00 58.87 59.65 1f4h n SER 6 Cb 0.81 -1.20 0.32 0.00 -0.26 0.00 0.00 64.21 63.87 1f4h n SER 6 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1f4h h LEU 7 N 1.07 0.77 -0.02 1.04 3.38 -1.91 0.40 115.31 120.04 1f4h h LEU 7 Ca -0.42 0.10 -0.00 0.00 0.09 0.00 0.00 57.88 57.65 1f4h h LEU 7 Cb 1.38 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 42.09 1f4h h LEU 7 CO 0.54 0.27 0.00 0.00 0.09 0.00 0.00 178.44 179.34 1f4h h ALA 8 N 1.64 0.02 0.27 1.53 0.00 -1.91 0.36 119.26 121.18 1f4h h ALA 8 Ca 0.58 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.33 1f4h h ALA 8 Cb 0.89 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1f4h h ALA 8 CO -0.39 -0.33 -0.13 0.28 0.00 0.00 0.00 179.25 178.68 1f4h h VAL 9 N -0.24 0.78 0.00 0.00 2.07 -1.40 -2.24 116.25 115.22 1f4h h VAL 9 Ca 0.01 -0.34 0.00 0.00 0.82 0.00 0.00 66.70 67.19 1f4h h VAL 9 Cb 0.29 0.97 0.00 0.00 -1.52 0.00 0.00 31.29 31.03 1f4h h VAL 9 CO 0.00 0.07 0.00 0.52 0.02 0.00 0.00 177.57 178.18 1f4h n VAL 10 N -5.17 0.00 -0.11 2.57 0.31 0.13 -2.14 118.33 113.91 1f4h n VAL 10 Ca -0.10 0.90 0.18 0.00 -0.01 0.00 0.00 64.34 65.31 1f4h n VAL 10 Cb 0.22 -1.64 0.27 0.00 -0.91 0.00 0.00 33.84 31.78 1f4h n VAL 10 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1f4h n LEU 11 N -0.61 0.00 -0.18 7.52 4.77 0.13 -1.87 117.00 126.76 1f4h n LEU 11 Ca 0.00 0.52 0.01 0.00 -0.03 0.00 0.00 56.01 56.51 1f4h n LEU 11 Cb 0.00 -0.16 0.27 0.00 -2.33 0.00 0.00 43.42 41.20 1f4h n LEU 11 CO 0.00 -0.52 1.22 -0.61 -1.33 0.00 0.00 177.39 176.15 1f4h h GLN 12 N 0.00 0.91 -0.00 3.23 5.75 -0.87 -2.82 115.11 121.31 1f4h h GLN 12 Ca 0.31 -0.06 0.00 0.00 -0.15 0.00 0.00 58.65 58.75 1f4h h GLN 12 Cb 2.02 -0.20 0.00 0.00 1.07 0.00 0.00 27.48 30.36 1f4h h GLN 12 CO -0.00 0.61 0.00 0.54 -2.65 0.00 0.00 178.83 177.33 1f4h n ARG 13 N -4.42 1.00 -3.76 1.69 1.74 -0.78 -4.92 116.66 107.21 1f4h n ARG 13 Ca 0.07 -0.00 -0.09 0.00 -0.77 0.00 0.00 57.85 57.06 1f4h n ARG 13 Cb 0.04 -1.14 0.00 0.00 -1.02 0.00 0.00 32.46 30.34 1f4h n ARG 13 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1f4h n ARG 14 N -0.64 -0.87 0.04 5.56 1.74 -1.07 -4.74 116.66 116.68 1f4h n ARG 14 Ca 0.07 -0.39 0.05 0.00 -0.77 0.00 0.00 57.85 56.81 1f4h n ARG 14 Cb 0.03 0.26 0.24 0.00 -1.02 0.00 0.00 32.46 31.97 1f4h n ARG 14 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1f4h n ASP 15 N 0.31 0.16 -1.06 0.55 8.00 -1.26 -1.81 116.55 121.44 1f4h n ASP 15 Ca -0.02 0.56 0.06 0.00 0.71 0.00 0.00 54.79 56.09 1f4h n ASP 15 Cb 0.11 -0.58 0.22 0.00 -0.02 0.00 0.00 41.12 40.85 1f4h n ASP 15 CO 0.00 0.00 0.00 -2.67 -0.39 0.00 0.00 177.20 174.14 1f4h n TRP 16 N -1.69 0.90 -2.60 1.24 2.14 -1.26 -3.41 117.44 112.75 1f4h n TRP 16 Ca 0.01 -0.36 -0.09 0.00 2.07 0.00 0.00 57.50 59.13 1f4h n TRP 16 Cb 0.09 -0.15 0.04 0.00 -0.81 0.00 0.00 31.31 30.47 1f4h n TRP 16 CO 0.00 0.00 0.00 0.39 2.07 0.00 0.00 177.69 180.15 1f4h n GLU 17 N 0.63 2.19 -3.15 -2.67 1.02 -0.75 0.24 120.64 118.14 1f4h n GLU 17 Ca 0.16 -3.69 0.06 0.00 -0.02 0.00 0.00 57.16 53.67 1f4h n GLU 17 Cb 0.58 -1.75 -0.01 0.00 -0.02 0.00 0.00 31.44 30.23 1f4h n GLU 17 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 1f4h s ASN 18 N -3.63 -0.28 0.00 1.62 2.47 -1.22 -4.73 114.94 109.17 1f4h s ASN 18 Ca 0.34 0.15 0.13 0.00 0.42 0.00 0.00 52.86 53.90 1f4h s ASN 18 Cb 0.37 1.22 0.70 0.00 -1.45 0.00 0.00 41.25 42.09 1f4h s ASN 18 CO -0.02 -0.05 1.29 -0.81 -3.72 0.00 0.00 177.10 173.79 1f4h n PRO 19 N 5.41 0.26 -0.02 0.43 -0.04 -1.26 -2.60 135.00 137.18 1f4h n PRO 19 Ca -0.05 0.11 -0.00 0.00 -0.04 0.00 0.00 63.50 63.52 1f4h n PRO 19 Cb 0.55 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 32.51 1f4h n PRO 19 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 1f4h h GLY 20 N 2.11 -0.03 -4.99 0.55 0.00 -1.92 -3.39 103.07 95.40 1f4h h GLY 20 Ca 0.00 0.01 -0.57 0.00 0.00 0.00 0.00 47.33 46.77 1f4h h GLY 20 CO 0.00 -0.01 0.77 0.14 0.00 0.00 0.00 176.54 177.44 1f4h s VAL 21 N -1.47 4.55 0.00 4.60 1.01 -1.07 -4.81 120.40 123.20 1f4h s VAL 21 Ca -0.00 1.86 0.00 0.00 0.00 0.00 0.00 61.98 63.84 1f4h s VAL 21 Cb 0.00 -4.20 0.00 0.00 0.00 0.00 0.00 36.38 32.18 1f4h s VAL 21 CO 0.01 -0.11 0.00 0.35 0.00 0.00 0.00 175.10 175.35 1f4h n THR 22 N 5.09 0.00 -3.73 3.92 -2.24 -1.26 -4.73 114.28 111.34 1f4h n THR 22 Ca 0.12 -0.07 -0.10 0.00 -2.27 0.00 0.00 64.05 61.72 1f4h n THR 22 Cb 0.46 0.48 -0.06 0.00 -2.10 0.00 0.00 70.33 69.11 1f4h n THR 22 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1f4h s GLN 23 N -1.13 0.96 -0.18 -0.78 1.03 -1.26 -1.69 119.66 116.62 1f4h s GLN 23 Ca 0.00 -0.78 -0.04 0.00 0.04 0.00 0.00 55.36 54.57 1f4h s GLN 23 Cb 0.00 0.41 0.09 0.00 0.03 0.00 0.00 33.01 33.54 1f4h s GLN 23 CO 0.00 -0.35 0.27 -0.51 -2.54 0.00 0.00 175.29 172.16 1f4h s LEU 24 N -2.76 -0.29 -1.55 2.60 1.02 0.05 -4.86 118.68 112.88 1f4h s LEU 24 Ca 0.03 0.23 -0.05 0.00 0.02 0.00 0.00 54.13 54.36 1f4h s LEU 24 Cb 0.03 0.67 0.01 0.00 0.02 0.00 0.00 46.19 46.91 1f4h s LEU 24 CO -0.11 -0.28 0.57 0.59 0.02 0.00 0.00 176.35 177.14 1f4h n ASN 25 N 5.34 -5.96 -4.84 2.29 3.02 -1.26 -1.33 115.26 112.52 1f4h n ASN 25 Ca -0.05 -0.28 -0.38 0.00 -0.03 0.00 0.00 54.58 53.84 1f4h n ASN 25 Cb 0.50 -4.83 -0.06 0.00 -0.61 0.00 0.00 39.78 34.78 1f4h n ASN 25 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 1f4h s ARG 26 N -5.69 3.85 0.90 3.52 3.52 -1.26 -4.75 118.95 119.04 1f4h s ARG 26 Ca 0.29 0.34 -0.11 0.00 -0.13 0.00 0.00 55.73 56.12 1f4h s ARG 26 Cb -0.13 -3.19 0.13 0.00 -1.56 0.00 0.00 34.95 30.20 1f4h s ARG 26 CO 0.36 0.68 1.09 -0.51 -0.81 0.00 0.00 175.30 176.12 1f4h s LEU 27 N -1.17 2.36 0.92 -0.88 1.43 0.65 -5.01 118.68 116.97 1f4h s LEU 27 Ca 0.24 1.64 -0.12 0.00 -1.03 0.00 0.00 54.13 54.86 1f4h s LEU 27 Cb -0.16 -4.06 0.14 0.00 0.03 0.00 0.00 46.19 42.14 1f4h s LEU 27 CO 0.13 -2.71 1.10 0.00 0.23 0.00 0.00 176.35 175.11 1f4h s ALA 28 N -2.86 1.51 0.48 4.21 0.00 -1.26 -4.62 121.76 119.22 1f4h s ALA 28 Ca 0.64 -0.31 -0.02 0.00 0.00 0.00 0.00 51.96 52.27 1f4h s ALA 28 Cb -0.19 -3.11 -0.01 0.00 0.00 0.00 0.00 23.12 19.81 1f4h s ALA 28 CO 0.57 -2.40 0.73 0.00 0.00 0.00 0.00 175.76 174.66 1f4h s ALA 29 N -3.07 3.60 0.00 0.00 0.00 -1.26 -4.90 121.76 116.12 1f4h s ALA 29 Ca 0.64 -0.89 0.00 0.00 0.00 0.00 0.00 51.96 51.71 1f4h s ALA 29 Cb -0.17 -2.30 0.00 0.00 0.00 0.00 0.00 23.12 20.65 1f4h s ALA 29 CO 0.56 -0.45 0.00 -2.39 0.00 0.00 0.00 175.76 173.48 1f4h n HIS 30 N -2.20 0.00 -1.93 0.00 1.44 -1.25 -4.92 115.22 106.36 1f4h n HIS 30 Ca 0.01 0.00 -0.35 0.00 -2.01 0.00 0.00 57.72 55.37 1f4h n HIS 30 Cb 0.57 0.00 0.04 0.00 0.12 0.00 0.00 29.99 30.72 1f4h n HIS 30 CO 0.00 0.00 0.00 -2.14 -2.81 0.00 0.00 176.34 171.39 1f4h s PRO 31 N -2.00 2.87 -0.01 -1.40 0.02 -1.07 -4.51 135.00 128.90 1f4h s PRO 31 Ca 0.00 1.75 -0.38 0.00 0.02 0.00 0.00 61.00 62.40 1f4h s PRO 31 Cb 0.00 -1.92 -0.16 0.00 0.02 0.00 0.00 34.50 32.43 1f4h s PRO 31 CO 0.00 -1.26 1.45 -2.30 -0.33 0.00 0.00 177.00 174.56 1f4h n PRO 32 N -1.80 1.15 -4.42 5.54 -0.02 -1.26 -4.99 135.00 129.21 1f4h n PRO 32 Ca 0.13 0.42 -0.24 0.00 -2.02 0.00 0.00 63.50 61.79 1f4h n PRO 32 Cb 0.50 -2.07 -0.09 0.00 -0.02 0.00 0.00 33.50 31.81 1f4h n PRO 32 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 1f4h s PHE 33 N 1.33 2.41 0.00 6.00 2.99 -1.26 -4.82 117.98 124.63 1f4h s PHE 33 Ca 0.88 -0.30 0.00 0.00 0.00 0.00 0.00 56.93 57.51 1f4h s PHE 33 Cb -0.98 -1.05 0.00 0.00 0.00 0.00 0.00 43.02 40.98 1f4h s PHE 33 CO 0.52 0.69 0.00 0.00 -0.00 0.00 0.00 175.22 176.43 1f4h n ALA 34 N -0.68 0.78 -3.30 5.36 0.00 -1.26 -5.09 120.51 116.32 1f4h n ALA 34 Ca -0.06 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.24 1f4h n ALA 34 Cb 0.60 0.02 0.04 0.00 0.00 0.00 0.00 19.45 20.11 1f4h n ALA 34 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1f4h n SER 35 N -0.51 -6.65 -4.76 0.00 2.88 -1.25 -4.41 113.62 98.92 1f4h n SER 35 Ca 0.00 -0.60 -0.39 0.00 -1.33 0.00 0.00 58.87 56.55 1f4h n SER 35 Cb 0.04 -4.74 -0.06 0.00 -0.75 0.00 0.00 64.21 58.70 1f4h n SER 35 CO 0.00 0.00 0.00 0.26 -1.23 0.00 0.00 175.04 174.07 1f4h s TRP 36 N -3.28 3.79 -1.06 0.66 0.51 -1.07 -4.58 118.94 113.91 1f4h s TRP 36 Ca 0.32 1.83 0.14 0.00 -2.12 0.00 0.00 56.10 56.26 1f4h s TRP 36 Cb -0.06 -3.00 0.40 0.00 -0.81 0.00 0.00 33.47 30.00 1f4h s TRP 36 CO 0.77 0.20 1.34 0.54 -0.51 0.00 0.00 176.95 179.29 1f4h n ARG 37 N 1.02 2.90 -3.78 4.98 3.00 -1.26 -0.60 116.66 122.91 1f4h n ARG 37 Ca -0.00 -2.26 -0.20 0.00 -0.01 0.00 0.00 57.85 55.38 1f4h n ARG 37 Cb 0.48 -1.39 -0.17 0.00 0.00 0.00 0.00 32.46 31.37 1f4h n ARG 37 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.63 178.84 1f4h s ASN 38 N -1.06 1.12 0.27 0.55 2.47 -1.26 -4.91 114.94 112.12 1f4h s ASN 38 Ca 0.30 -0.01 -0.04 0.00 0.42 0.00 0.00 52.86 53.53 1f4h s ASN 38 Cb 0.17 -0.28 0.35 0.00 -1.45 0.00 0.00 41.25 40.04 1f4h s ASN 38 CO 0.19 -0.19 1.94 -1.28 -3.72 0.00 0.00 177.10 174.04 1f4h h SER 39 N 8.06 1.06 -0.33 -4.21 0.87 -1.98 -2.74 113.55 114.29 1f4h h SER 39 Ca -0.23 -0.02 0.03 0.00 -1.23 0.00 0.00 61.79 60.33 1f4h h SER 39 Cb 1.13 -0.26 -0.03 0.00 -0.44 0.00 0.00 62.40 62.80 1f4h h SER 39 CO 0.28 0.76 0.15 -0.33 -0.53 0.00 0.00 176.83 177.16 1f4h h GLU 40 N 1.25 0.31 -0.89 2.24 4.39 -1.97 1.74 114.58 121.64 1f4h h GLU 40 Ca 0.35 -0.02 0.08 0.00 0.34 0.00 0.00 59.36 60.11 1f4h h GLU 40 Cb -0.11 -0.07 -0.06 0.00 -0.10 0.00 0.00 28.75 28.41 1f4h h GLU 40 CO -0.08 0.20 0.58 0.93 -1.16 0.00 0.00 179.01 179.48 1f4h h GLU 41 N 0.32 0.93 0.46 2.33 4.39 -1.85 0.46 114.58 121.61 1f4h h GLU 41 Ca 0.14 -0.06 -0.02 0.00 0.34 0.00 0.00 59.36 59.76 1f4h h GLU 41 Cb 0.07 -0.21 0.00 0.00 -0.10 0.00 0.00 28.75 28.52 1f4h h GLU 41 CO -0.11 0.61 -0.22 0.00 -1.16 0.00 0.00 179.01 178.13 1f4h h ALA 42 N 1.53 -0.62 -0.54 3.43 0.00 -0.91 0.28 119.26 122.43 1f4h h ALA 42 Ca 0.40 -0.19 0.06 0.00 0.00 0.00 0.00 54.91 55.18 1f4h h ALA 42 Cb 0.29 0.24 -0.08 0.00 0.00 0.00 0.00 17.79 18.24 1f4h h ALA 42 CO -0.16 -0.72 -0.49 -0.09 0.00 0.00 0.00 179.25 177.80 1f4h h ARG 43 N -0.89 -0.20 0.00 0.00 2.43 0.52 0.10 114.38 116.34 1f4h h ARG 43 Ca -0.06 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 1f4h h ARG 43 Cb 0.58 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.18 1f4h h ARG 43 CO 0.10 -0.13 0.00 0.25 -1.51 0.00 0.00 179.97 178.68 1f4h n THR 44 N -4.95 0.00 -0.99 0.20 -2.24 0.13 -4.88 114.28 101.55 1f4h n THR 44 Ca -0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 1f4h n THR 44 Cb 0.26 -0.51 0.00 0.00 -2.10 0.00 0.00 70.33 67.98 1f4h n THR 44 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1f4h n ASP 45 N -0.95 -3.85 -4.76 3.42 -0.08 0.35 -4.97 116.55 105.72 1f4h n ASP 45 Ca 0.18 0.00 -0.41 0.00 -1.51 0.00 0.00 54.79 53.05 1f4h n ASP 45 Cb 0.08 -1.50 -0.01 0.00 2.34 0.00 0.00 41.12 42.03 1f4h n ASP 45 CO 0.00 0.00 0.00 -0.13 0.12 0.00 0.00 177.20 177.19 1f4h s ARG 46 N -0.67 4.16 0.43 -0.67 0.52 0.74 -4.91 118.95 118.55 1f4h s ARG 46 Ca 0.00 2.50 -0.21 0.00 -0.52 0.00 0.00 55.73 57.51 1f4h s ARG 46 Cb 0.00 -3.03 -0.15 0.00 0.52 0.00 0.00 34.95 32.29 1f4h s ARG 46 CO 0.00 -0.54 0.12 -0.35 0.02 0.00 0.00 175.30 174.54 1f4h n PRO 47 N 1.71 0.07 -3.67 3.54 -0.04 -1.26 -4.58 135.00 130.78 1f4h n PRO 47 Ca 0.06 0.03 -0.37 0.00 -0.04 0.00 0.00 63.50 63.17 1f4h n PRO 47 Cb 0.39 -1.08 -0.11 0.00 -0.04 0.00 0.00 33.50 32.66 1f4h n PRO 47 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1f4h s SER 48 N -1.00 5.79 0.59 3.54 0.15 -1.26 -4.98 113.70 116.54 1f4h s SER 48 Ca 0.60 -0.03 0.29 0.00 0.70 0.00 0.00 55.95 57.51 1f4h s SER 48 Cb -0.61 -2.06 1.68 0.00 -1.71 0.00 0.00 66.02 63.32 1f4h s SER 48 CO 0.62 -0.01 2.10 1.56 1.20 0.00 0.00 173.24 178.71 1f4h h GLN 49 N 8.09 0.00 -0.00 5.44 1.08 -1.91 0.06 115.11 127.87 1f4h h GLN 49 Ca -0.36 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.84 1f4h h GLN 49 Cb 1.18 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.61 1f4h h GLN 49 CO 0.58 0.00 -0.08 1.04 -0.95 0.00 0.00 178.83 179.43 1f4h n GLN 50 N -3.75 0.53 -3.96 1.46 3.00 -1.26 -4.65 117.38 108.75 1f4h n GLN 50 Ca 0.01 -0.12 -0.33 0.00 -0.01 0.00 0.00 57.00 56.55 1f4h n GLN 50 Cb 0.33 -1.50 -0.14 0.00 0.00 0.00 0.00 30.24 28.93 1f4h n GLN 50 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.06 175.89 1f4h s LEU 51 N -2.56 4.34 -0.17 1.08 2.96 0.01 -1.52 118.68 122.82 1f4h s LEU 51 Ca 0.27 -1.73 -0.06 0.00 -0.22 0.00 0.00 54.13 52.39 1f4h s LEU 51 Cb 0.20 -1.67 -0.04 0.00 0.50 0.00 0.00 46.19 45.18 1f4h s LEU 51 CO 0.48 -0.34 0.02 -0.13 -1.32 0.00 0.00 176.35 175.07 1f4h s ARG 52 N 1.08 3.85 -0.00 1.98 0.52 0.60 -4.81 118.95 122.16 1f4h s ARG 52 Ca 0.02 -0.41 -0.26 0.00 -0.52 0.00 0.00 55.73 54.55 1f4h s ARG 52 Cb -0.20 -3.10 -0.04 0.00 0.52 0.00 0.00 34.95 32.12 1f4h s ARG 52 CO -0.05 0.25 0.81 0.45 0.02 0.00 0.00 175.30 176.78 1f4h s SER 53 N 0.40 7.18 -0.09 0.23 0.15 -1.26 0.24 113.70 120.55 1f4h s SER 53 Ca 0.00 1.42 0.17 0.00 0.70 0.00 0.00 55.95 58.25 1f4h s SER 53 Cb -0.13 -2.48 0.63 0.00 -1.71 0.00 0.00 66.02 62.33 1f4h s SER 53 CO 0.01 -0.11 1.54 0.18 1.20 0.00 0.00 173.24 176.07 1f4h n LEU 54 N 3.43 4.29 -4.77 3.45 4.77 0.99 -4.96 117.00 124.20 1f4h n LEU 54 Ca 0.00 -2.39 -0.40 0.00 -0.03 0.00 0.00 56.01 53.19 1f4h n LEU 54 Cb 0.51 -0.51 -0.01 0.00 -2.33 0.00 0.00 43.42 41.07 1f4h n LEU 54 CO 0.49 0.81 1.00 0.20 -1.33 0.00 0.00 177.39 178.56 1f4h s ASN 55 N -1.05 6.60 0.00 -1.43 -0.87 -1.24 -4.76 114.94 112.19 1f4h s ASN 55 Ca 0.45 2.75 0.00 0.00 -1.57 0.00 0.00 52.86 54.49 1f4h s ASN 55 Cb 0.29 -2.65 0.00 0.00 -0.02 0.00 0.00 41.25 38.87 1f4h s ASN 55 CO 0.23 -0.66 0.00 0.61 -2.57 0.00 0.00 177.10 174.71 1f4h n GLY 56 N 0.71 0.07 3.60 0.66 0.00 0.43 -4.99 105.19 105.67 1f4h n GLY 56 Ca 0.01 -0.69 -0.39 0.00 0.00 0.00 0.00 46.02 44.95 1f4h n GLY 56 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1f4h s GLU 57 N -0.62 3.95 0.29 1.61 2.02 -1.26 0.37 118.70 125.07 1f4h s GLU 57 Ca 0.00 -0.05 0.06 0.00 0.02 0.00 0.00 54.97 55.00 1f4h s GLU 57 Cb 0.00 -3.68 -0.06 0.00 0.10 0.00 0.00 34.13 30.50 1f4h s GLU 57 CO 0.00 -0.30 -0.02 -1.58 0.02 0.00 0.00 175.26 173.38 1f4h s TRP 58 N 2.04 1.94 -0.05 1.61 0.52 0.37 -4.90 118.94 120.48 1f4h s TRP 58 Ca 0.14 -0.78 0.01 0.00 0.02 0.00 0.00 56.10 55.49 1f4h s TRP 58 Cb -0.16 -1.17 -0.03 0.00 -1.15 0.00 0.00 33.47 30.96 1f4h s TRP 58 CO 0.10 0.20 -0.04 1.03 0.02 0.00 0.00 176.95 178.26 1f4h s ARG 59 N -3.78 2.77 -0.04 4.98 0.52 -0.89 0.17 118.95 122.69 1f4h s ARG 59 Ca 0.31 -0.56 -0.03 0.00 -0.52 0.00 0.00 55.73 54.93 1f4h s ARG 59 Cb 0.05 -2.64 0.01 0.00 0.52 0.00 0.00 34.95 32.90 1f4h s ARG 59 CO 0.13 0.66 0.10 0.12 0.02 0.00 0.00 175.30 176.32 1f4h s PHE 60 N -0.91 -0.11 -0.05 -0.53 5.36 0.28 -1.23 117.98 120.79 1f4h s PHE 60 Ca 0.15 0.26 0.00 0.00 -0.96 0.00 0.00 56.93 56.38 1f4h s PHE 60 Cb -0.11 0.03 0.02 0.00 -0.34 0.00 0.00 43.02 42.62 1f4h s PHE 60 CO 0.04 -0.05 -0.02 0.00 -1.46 0.00 0.00 175.22 173.72 1f4h s ALA 61 N 0.09 0.64 0.15 11.12 0.00 -0.19 -0.84 121.76 132.73 1f4h s ALA 61 Ca -0.00 -0.05 -0.21 0.00 0.00 0.00 0.00 51.96 51.69 1f4h s ALA 61 Cb -0.01 -0.51 -0.08 0.00 0.00 0.00 0.00 23.12 22.52 1f4h s ALA 61 CO -0.00 -0.17 0.69 -0.46 0.00 0.00 0.00 175.76 175.82 1f4h s TRP 62 N 1.27 3.79 -0.01 0.00 -0.00 -1.26 -1.27 118.94 121.46 1f4h s TRP 62 Ca -0.06 1.43 -0.02 0.00 -0.00 0.00 0.00 56.10 57.44 1f4h s TRP 62 Cb -0.14 -2.62 -0.00 0.00 -0.00 0.00 0.00 33.47 30.71 1f4h s TRP 62 CO -0.02 0.48 0.05 -0.06 -0.00 0.00 0.00 176.95 177.40 1f4h s PHE 63 N -1.26 0.04 -1.61 5.86 0.40 0.89 -4.99 117.98 117.31 1f4h s PHE 63 Ca 0.36 -0.08 0.18 0.00 -0.60 0.00 0.00 56.93 56.80 1f4h s PHE 63 Cb -0.20 -0.05 0.98 0.00 0.51 0.00 0.00 43.02 44.26 1f4h s PHE 63 CO 0.22 -0.12 1.54 -0.35 0.70 0.00 0.00 175.22 177.21 1f4h n PRO 64 N 2.39 0.36 -3.57 0.24 -0.04 -1.26 0.14 135.00 133.26 1f4h n PRO 64 Ca -0.17 0.08 -0.07 0.00 -0.04 0.00 0.00 63.50 63.30 1f4h n PRO 64 Cb 0.58 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.50 1f4h n PRO 64 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1f4h s ALA 65 N -2.39 -1.97 0.16 0.55 0.00 -1.25 -2.70 121.76 114.16 1f4h s ALA 65 Ca 0.21 1.49 -0.10 0.00 0.00 0.00 0.00 51.96 53.55 1f4h s ALA 65 Cb 0.12 -0.33 0.02 0.00 0.00 0.00 0.00 23.12 22.93 1f4h s ALA 65 CO 0.26 -0.49 1.55 -1.00 0.00 0.00 0.00 175.76 176.07 1f4h h PRO 66 N 2.17 0.98 0.00 0.00 0.13 -1.85 -3.04 132.00 130.40 1f4h h PRO 66 Ca -0.15 -0.43 0.00 0.00 -0.87 0.00 0.00 66.00 64.55 1f4h h PRO 66 Cb 1.19 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1f4h h PRO 66 CO 0.27 1.10 0.00 -0.85 -0.23 0.00 0.00 178.00 178.29 1f4h n GLU 67 N -4.10 0.12 0.00 0.86 0.00 -1.26 -1.93 120.64 114.32 1f4h n GLU 67 Ca -0.00 0.21 0.14 0.00 0.00 0.00 0.00 57.16 57.51 1f4h n GLU 67 Cb 0.47 -1.50 0.51 0.00 0.00 0.00 0.00 31.44 30.92 1f4h n GLU 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1f4h n ALA 68 N -1.34 2.80 -2.01 -1.84 0.00 -1.15 -4.87 120.51 112.11 1f4h n ALA 68 Ca 0.05 -0.38 -0.38 0.00 0.00 0.00 0.00 53.44 52.73 1f4h n ALA 68 Cb 0.10 -1.20 -0.06 0.00 0.00 0.00 0.00 19.45 18.29 1f4h n ALA 68 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1f4h s VAL 69 N -2.27 4.44 -0.19 0.00 1.01 -0.81 -5.02 120.40 117.55 1f4h s VAL 69 Ca 0.32 1.53 -0.11 0.00 0.00 0.00 0.00 61.98 63.72 1f4h s VAL 69 Cb 0.20 -3.99 -0.05 0.00 0.00 0.00 0.00 36.38 32.54 1f4h s VAL 69 CO 0.43 0.32 0.18 -2.16 0.00 0.00 0.00 175.10 173.87 1f4h s PRO 70 N -1.66 4.21 0.25 2.72 0.04 -1.26 -4.99 135.00 134.30 1f4h s PRO 70 Ca 0.41 -0.13 -0.12 0.00 0.04 0.00 0.00 61.00 61.20 1f4h s PRO 70 Cb -0.19 -3.43 0.35 0.00 0.04 0.00 0.00 34.50 31.27 1f4h s PRO 70 CO 0.23 0.27 1.57 0.93 0.04 0.00 0.00 177.00 180.04 1f4h h GLU 71 N 6.71 -0.01 -0.31 4.56 3.07 -1.99 0.28 114.58 126.87 1f4h h GLU 71 Ca -0.41 0.00 0.06 0.00 -0.50 0.00 0.00 59.36 58.51 1f4h h GLU 71 Cb 1.15 0.00 -0.06 0.00 -0.84 0.00 0.00 28.75 29.01 1f4h h GLU 71 CO 0.76 -0.01 -0.08 0.45 -1.40 0.00 0.00 179.01 178.73 1f4h n SER 72 N -5.55 -0.12 -0.34 1.42 2.88 -1.26 0.89 113.62 111.54 1f4h n SER 72 Ca 0.13 0.54 0.04 0.00 -1.33 0.00 0.00 58.87 58.25 1f4h n SER 72 Cb 0.44 -0.16 0.11 0.00 -0.75 0.00 0.00 64.21 63.85 1f4h n SER 72 CO 0.00 0.00 0.00 1.87 -1.23 0.00 0.00 175.04 175.68 1f4h n TRP 73 N -4.51 0.27 -0.34 0.66 -0.00 0.97 0.26 117.44 114.75 1f4h n TRP 73 Ca 0.05 1.15 0.09 0.00 -0.00 0.00 0.00 57.50 58.78 1f4h n TRP 73 Cb 0.15 -1.00 0.25 0.00 -0.00 0.00 0.00 31.31 30.72 1f4h n TRP 73 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 177.69 177.62 1f4h h LEU 74 N 0.00 0.79 0.05 5.87 3.38 0.32 -3.22 115.31 122.50 1f4h h LEU 74 Ca 0.42 0.07 -0.00 0.00 0.09 0.00 0.00 57.88 58.46 1f4h h LEU 74 Cb 0.66 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.33 1f4h h LEU 74 CO -0.96 0.37 -0.02 -0.08 0.09 0.00 0.00 178.44 177.83 1f4h h GLU 75 N 0.84 -0.06 -4.59 1.13 4.57 0.34 -3.38 114.58 113.43 1f4h h GLU 75 Ca 0.51 0.00 -0.21 0.00 -1.18 0.00 0.00 59.36 58.48 1f4h h GLU 75 Cb 0.63 0.01 -0.15 0.00 -0.16 0.00 0.00 28.75 29.09 1f4h h GLU 75 CO -0.32 0.57 -0.69 0.00 -1.18 0.00 0.00 179.01 177.39 1f4h s ASP 77 N -3.03 2.71 -0.14 0.00 1.01 -1.26 -4.08 116.67 111.87 1f4h s ASP 77 Ca 0.12 0.64 -0.05 0.00 0.71 0.00 0.00 52.55 53.98 1f4h s ASP 77 Cb 0.06 -0.95 -0.03 0.00 1.01 0.00 0.00 42.92 43.00 1f4h s ASP 77 CO -0.05 -3.02 0.02 -0.76 0.21 0.00 0.00 175.17 171.57 1f4h s LEU 78 N -6.22 3.60 0.40 1.23 1.43 -1.26 -4.96 118.68 112.90 1f4h s LEU 78 Ca 0.69 0.06 0.11 0.00 -1.03 0.00 0.00 54.13 53.95 1f4h s LEU 78 Cb -0.10 -1.87 0.91 0.00 0.03 0.00 0.00 46.19 45.16 1f4h s LEU 78 CO 0.54 0.25 1.96 1.55 0.23 0.00 0.00 176.35 180.87 1f4h h PRO 79 N 6.14 0.54 -0.73 1.29 0.13 -2.03 0.19 132.00 137.53 1f4h h PRO 79 Ca -0.40 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1f4h h PRO 79 Cb 1.18 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.19 1f4h h PRO 79 CO 0.63 0.36 0.00 -0.85 -0.23 0.00 0.00 178.00 177.91 1f4h n GLU 80 N -4.48 2.85 -2.44 0.86 -0.00 -1.26 -4.91 120.64 111.26 1f4h n GLU 80 Ca 0.11 -2.71 -0.41 0.00 -0.00 0.00 0.00 57.16 54.16 1f4h n GLU 80 Cb 0.33 -1.61 -0.04 0.00 -0.00 0.00 0.00 31.44 30.12 1f4h n GLU 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1f4h s ALA 81 N -1.10 3.41 0.07 -1.84 0.00 0.05 -4.94 121.76 117.42 1f4h s ALA 81 Ca 0.50 0.91 -0.12 0.00 0.00 0.00 0.00 51.96 53.25 1f4h s ALA 81 Cb 0.27 -3.36 -0.06 0.00 0.00 0.00 0.00 23.12 19.97 1f4h s ALA 81 CO 0.33 -0.25 0.42 -0.51 0.00 0.00 0.00 175.76 175.75 1f4h s ASP 82 N -0.45 6.71 0.02 0.00 -0.00 -0.02 -4.79 116.67 118.14 1f4h s ASP 82 Ca 0.48 0.87 -0.29 0.00 -0.00 0.00 0.00 52.55 53.61 1f4h s ASP 82 Cb -0.32 -2.21 -0.04 0.00 -0.00 0.00 0.00 42.92 40.35 1f4h s ASP 82 CO 0.39 0.20 0.94 -0.89 -0.00 0.00 0.00 175.17 175.81 1f4h s THR 83 N -1.32 4.80 0.07 -1.27 2.01 -1.26 0.10 115.64 118.77 1f4h s THR 83 Ca 0.31 1.98 -0.06 0.00 0.31 0.00 0.00 61.69 64.24 1f4h s THR 83 Cb -0.15 -4.28 -0.02 0.00 0.01 0.00 0.00 72.50 68.06 1f4h s THR 83 CO 0.17 0.21 0.10 0.54 -0.69 0.00 0.00 174.62 174.95 1f4h s VAL 84 N 0.72 0.17 0.31 3.82 0.11 0.45 -4.91 120.40 121.08 1f4h s VAL 84 Ca 0.49 -1.38 -0.12 0.00 -2.93 0.00 0.00 61.98 58.03 1f4h s VAL 84 Cb -0.21 -1.33 -0.08 0.00 -1.53 0.00 0.00 36.38 33.23 1f4h s VAL 84 CO 0.27 -0.76 0.68 0.54 -3.33 0.00 0.00 175.10 172.50 1f4h s VAL 85 N -3.69 4.79 -0.10 2.04 0.11 -1.26 0.14 120.40 122.43 1f4h s VAL 85 Ca 0.04 0.71 -0.07 0.00 -2.93 0.00 0.00 61.98 59.73 1f4h s VAL 85 Cb 0.05 -3.64 0.04 0.00 -1.53 0.00 0.00 36.38 31.29 1f4h s VAL 85 CO -0.10 -0.23 0.26 -0.69 -3.33 0.00 0.00 175.10 171.01 1f4h s VAL 86 N -2.02 -0.02 0.72 2.04 1.01 0.16 -4.03 120.40 118.26 1f4h s VAL 86 Ca 0.51 0.07 -0.11 0.00 0.00 0.00 0.00 61.98 62.45 1f4h s VAL 86 Cb -0.10 -0.38 0.02 0.00 0.00 0.00 0.00 36.38 35.92 1f4h s VAL 86 CO 0.22 0.03 1.07 -2.16 0.00 0.00 0.00 175.10 174.25 1f4h s PRO 87 N 0.66 2.71 0.07 2.72 0.05 -1.26 -0.42 135.00 139.53 1f4h s PRO 87 Ca -0.04 0.88 -0.27 0.00 0.05 0.00 0.00 61.00 61.62 1f4h s PRO 87 Cb -0.06 -1.97 0.09 0.00 0.05 0.00 0.00 34.50 32.62 1f4h s PRO 87 CO -0.04 -1.24 1.15 -1.54 0.05 0.00 0.00 177.00 175.38 1f4h s SER 88 N -3.81 -0.06 -0.31 6.66 1.04 0.30 -4.94 113.70 112.57 1f4h s SER 88 Ca 0.59 -0.33 -0.05 0.00 0.48 0.00 0.00 55.95 56.63 1f4h s SER 88 Cb -0.14 0.31 0.03 0.00 0.10 0.00 0.00 66.02 66.32 1f4h s SER 88 CO 0.55 -0.60 0.06 0.20 0.98 0.00 0.00 173.24 174.43 1f4h s ASN 89 N -3.22 5.09 0.31 7.02 0.02 -1.26 -2.85 114.94 120.06 1f4h s ASN 89 Ca 0.18 -1.03 0.06 0.00 -1.02 0.00 0.00 52.86 51.05 1f4h s ASN 89 Cb 0.01 -1.82 0.73 0.00 0.02 0.00 0.00 41.25 40.18 1f4h s ASN 89 CO 0.00 -0.26 1.81 4.11 0.02 0.00 0.00 177.10 182.78 1f4h h TRP 90 N 8.16 1.03 -0.26 2.20 0.09 -1.87 1.25 115.95 126.55 1f4h h TRP 90 Ca -0.26 0.03 0.08 0.00 0.09 0.00 0.00 58.89 58.83 1f4h h TRP 90 Cb 1.09 -0.32 -0.01 0.00 0.08 0.00 0.00 29.16 30.01 1f4h h TRP 90 CO 0.60 0.30 0.38 1.96 0.09 0.00 0.00 178.44 181.76 1f4h h GLN 91 N 0.79 0.00 0.00 0.12 7.50 -1.81 1.10 115.11 122.82 1f4h h GLN 91 Ca 0.54 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.69 1f4h h GLN 91 Cb 0.80 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.33 1f4h h GLN 91 CO -0.32 0.00 0.00 -1.33 -1.50 0.00 0.00 178.83 175.68 1f4h n MET 92 N -3.49 0.08 -0.11 1.46 2.81 0.43 -3.08 117.12 115.22 1f4h n MET 92 Ca 0.04 0.15 -0.17 0.00 -1.81 0.00 0.00 57.70 55.91 1f4h n MET 92 Cb 0.51 -1.50 -0.09 0.00 -0.71 0.00 0.00 33.22 31.43 1f4h n MET 92 CO 0.00 0.00 0.00 0.72 1.51 0.00 0.00 175.97 178.20 1f4h n HIS 93 N -1.44 0.00 0.00 2.03 8.25 0.38 -5.03 115.22 119.40 1f4h n HIS 93 Ca 0.06 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.52 1f4h n HIS 93 Cb 0.21 -0.80 0.00 0.00 1.12 0.00 0.00 29.99 30.52 1f4h n HIS 93 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1f4h n GLY 94 N 2.29 0.16 0.35 -1.41 0.00 -0.91 -5.02 105.19 100.66 1f4h n GLY 94 Ca -0.38 0.00 0.02 0.00 0.00 0.00 0.00 46.02 45.66 1f4h n GLY 94 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1f4h h TYR 95 N 0.00 0.87 -3.63 1.61 -1.99 -1.82 -3.45 116.97 108.57 1f4h h TYR 95 Ca 0.00 0.02 -0.17 0.00 2.00 0.00 0.00 58.73 60.58 1f4h h TYR 95 Cb 0.00 -0.29 -0.04 0.00 2.00 0.00 0.00 36.73 38.40 1f4h h TYR 95 CO 0.00 0.52 0.02 0.16 -0.00 0.00 0.00 178.16 178.86 1f4h s ASP 96 N -6.33 0.55 -0.15 3.88 1.47 -1.26 -5.06 116.67 109.77 1f4h s ASP 96 Ca -0.10 -1.36 -0.15 0.00 1.18 0.00 0.00 52.55 52.12 1f4h s ASP 96 Cb 0.18 0.76 -0.04 0.00 -0.34 0.00 0.00 42.92 43.47 1f4h s ASP 96 CO 0.78 -1.49 0.36 0.00 0.68 0.00 0.00 175.17 175.49 1f4h s ALA 97 N -2.66 3.55 0.50 2.11 0.00 -1.26 -4.57 121.76 119.42 1f4h s ALA 97 Ca 0.24 -0.37 -0.22 0.00 0.00 0.00 0.00 51.96 51.61 1f4h s ALA 97 Cb -0.03 -2.49 -0.06 0.00 0.00 0.00 0.00 23.12 20.54 1f4h s ALA 97 CO 0.17 0.04 1.22 -1.25 0.00 0.00 0.00 175.76 175.93 1f4h s PRO 98 N 0.57 3.50 -0.10 0.00 0.04 -1.26 -4.99 135.00 132.77 1f4h s PRO 98 Ca 0.20 1.89 0.02 0.00 0.04 0.00 0.00 61.00 63.14 1f4h s PRO 98 Cb -0.14 -2.30 -0.01 0.00 0.04 0.00 0.00 34.50 32.09 1f4h s PRO 98 CO 0.06 -0.79 -0.17 0.42 0.04 0.00 0.00 177.00 176.56 1f4h s ILE 99 N -1.50 2.78 -0.43 0.56 1.01 -1.18 -4.54 121.20 117.89 1f4h s ILE 99 Ca 0.67 -0.78 -0.01 0.00 0.00 0.00 0.00 60.65 60.53 1f4h s ILE 99 Cb -0.31 -2.12 0.12 0.00 0.01 0.00 0.00 42.46 40.16 1f4h s ILE 99 CO 0.37 0.55 0.21 -0.47 0.00 0.00 0.00 174.94 175.60 1f4h s TYR 100 N 0.02 3.58 0.01 3.97 5.04 -1.26 0.28 117.35 128.99 1f4h s TYR 100 Ca -0.06 -2.61 0.04 0.00 -2.44 0.00 0.00 57.07 51.99 1f4h s TYR 100 Cb -0.15 -3.14 -0.01 0.00 0.35 0.00 0.00 41.96 39.01 1f4h s TYR 100 CO 0.05 -0.94 -0.11 -0.08 -1.34 0.00 0.00 175.55 173.12 1f4h s THR 101 N 0.86 0.90 0.00 4.34 -1.32 -1.26 -1.13 115.64 118.03 1f4h s THR 101 Ca 0.10 -0.65 0.00 0.00 -1.21 0.00 0.00 61.69 59.93 1f4h s THR 101 Cb -0.22 -0.78 0.00 0.00 -1.51 0.00 0.00 72.50 69.99 1f4h s THR 101 CO -0.05 0.13 0.00 -3.20 -2.21 0.00 0.00 174.62 169.29 1f4h n ASN 102 N 2.46 0.00 -0.08 8.08 4.05 -1.26 -3.60 115.26 124.91 1f4h n ASN 102 Ca -0.15 0.05 -0.07 0.00 0.45 0.00 0.00 54.58 54.85 1f4h n ASN 102 Cb 0.56 -0.10 -0.03 0.00 1.23 0.00 0.00 39.78 41.44 1f4h n ASN 102 CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 177.26 174.73 1f4h n VAL 103 N -1.25 1.45 -1.69 3.44 0.31 -1.26 -3.73 118.33 115.60 1f4h n VAL 103 Ca 0.00 0.17 -0.55 0.00 -0.01 0.00 0.00 64.34 63.95 1f4h n VAL 103 Cb 0.00 -2.35 -0.07 0.00 -0.91 0.00 0.00 33.84 30.52 1f4h n VAL 103 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 1f4h n THR 104 N -4.56 0.31 -2.04 2.52 -1.04 -1.26 -3.57 114.28 104.63 1f4h n THR 104 Ca -0.12 -0.05 -0.38 0.00 -2.04 0.00 0.00 64.05 61.46 1f4h n THR 104 Cb 0.36 -1.29 0.01 0.00 -1.82 0.00 0.00 70.33 67.59 1f4h n THR 104 CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 1f4h s TYR 105 N 3.18 2.67 0.37 -1.42 1.51 -1.26 -4.92 117.35 117.48 1f4h s TYR 105 Ca 0.95 1.44 0.04 0.00 -1.01 0.00 0.00 57.07 58.50 1f4h s TYR 105 Cb -0.98 -3.60 0.71 0.00 -0.11 0.00 0.00 41.96 37.97 1f4h s TYR 105 CO 0.60 -2.13 2.00 -1.00 -1.11 0.00 0.00 175.55 173.91 1f4h h PRO 106 N 2.06 0.66 -6.16 -1.71 0.13 -1.96 -3.43 132.00 121.59 1f4h h PRO 106 Ca -0.50 -0.06 -0.54 0.00 -0.87 0.00 0.00 66.00 64.03 1f4h h PRO 106 Cb 1.26 -0.14 -0.03 0.00 0.13 0.00 0.00 31.00 32.23 1f4h h PRO 106 CO 0.60 0.48 -0.26 0.96 -0.23 0.00 0.00 178.00 179.55 1f4h s ILE 107 N -5.46 1.96 -0.12 -3.56 -4.36 -1.26 -4.95 121.20 103.44 1f4h s ILE 107 Ca -0.09 -1.34 -0.23 0.00 -0.26 0.00 0.00 60.65 58.74 1f4h s ILE 107 Cb 0.17 -2.30 -0.03 0.00 1.25 0.00 0.00 42.46 41.55 1f4h s ILE 107 CO 0.75 0.00 0.69 -0.89 0.24 0.00 0.00 174.94 175.73 1f4h s THR 108 N -2.69 5.02 -0.69 8.37 2.01 -1.26 -4.97 115.64 121.43 1f4h s THR 108 Ca 0.44 1.37 -0.25 0.00 0.31 0.00 0.00 61.69 63.55 1f4h s THR 108 Cb -0.03 -4.01 -0.12 0.00 0.01 0.00 0.00 72.50 68.34 1f4h s THR 108 CO 0.27 0.18 2.42 0.52 -0.69 0.00 0.00 174.62 177.32 1f4h n VAL 109 N 4.18 -0.03 -2.88 3.82 0.31 -1.26 -4.81 118.33 117.65 1f4h n VAL 109 Ca -0.01 -0.60 -0.12 0.00 -0.01 0.00 0.00 64.34 63.60 1f4h n VAL 109 Cb 0.50 -2.19 0.01 0.00 -0.91 0.00 0.00 33.84 31.26 1f4h n VAL 109 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 1f4h n ASN 110 N 16.91 -2.13 -4.76 4.52 5.15 -1.26 -5.12 115.26 128.56 1f4h n ASN 110 Ca 0.45 -3.09 -0.41 0.00 -0.60 0.00 0.00 54.58 50.92 1f4h n ASN 110 Cb 0.45 1.14 -0.00 0.00 -0.53 0.00 0.00 39.78 40.84 1f4h n ASN 110 CO 0.00 0.00 0.00 -2.65 1.40 0.00 0.00 177.26 176.01 1f4h n PRO 111 N 1.76 2.65 -0.26 1.20 -0.02 -1.26 -0.69 135.00 138.37 1f4h n PRO 111 Ca 0.14 0.93 0.11 0.00 -2.02 0.00 0.00 63.50 62.65 1f4h n PRO 111 Cb 0.59 -2.67 0.27 0.00 -0.02 0.00 0.00 33.50 31.68 1f4h n PRO 111 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1f4h n PRO 112 N 0.85 2.40 -1.70 0.52 -0.04 -1.26 -5.08 135.00 130.68 1f4h n PRO 112 Ca 0.03 -2.15 -0.37 0.00 -0.04 0.00 0.00 63.50 60.97 1f4h n PRO 112 Cb 0.38 -1.48 0.07 0.00 -0.04 0.00 0.00 33.50 32.43 1f4h n PRO 112 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1f4h n PHE 113 N 1.28 1.80 -4.32 0.54 0.99 0.14 -4.07 117.46 113.81 1f4h n PHE 113 Ca 0.20 0.42 -0.19 0.00 -0.00 0.00 0.00 57.45 57.88 1f4h n PHE 113 Cb 0.53 -2.25 -0.13 0.00 -1.00 0.00 0.00 39.48 36.62 1f4h n PHE 113 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.76 176.84 1f4h s VAL 114 N -1.42 0.92 0.24 -4.37 1.01 -1.26 -4.54 120.40 110.98 1f4h s VAL 114 Ca 0.82 -0.84 -0.31 0.00 0.00 0.00 0.00 61.98 61.66 1f4h s VAL 114 Cb -0.38 -0.84 -0.14 0.00 0.00 0.00 0.00 36.38 35.02 1f4h s VAL 114 CO 0.41 0.01 1.28 -0.81 0.00 0.00 0.00 175.10 175.99 1f4h n PRO 115 N 2.11 1.73 -0.18 2.72 -0.05 -1.26 -4.86 135.00 135.22 1f4h n PRO 115 Ca -0.17 0.61 0.08 0.00 -0.05 0.00 0.00 63.50 63.97 1f4h n PRO 115 Cb 0.55 -2.18 0.37 0.00 -0.05 0.00 0.00 33.50 32.19 1f4h n PRO 115 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 1f4h h THR 116 N 2.75 0.98 -2.54 0.52 1.03 -2.00 -3.32 112.91 110.33 1f4h h THR 116 Ca -0.44 -0.24 -0.60 0.00 -0.01 0.00 0.00 66.41 65.12 1f4h h THR 116 Cb 1.30 0.21 -0.12 0.00 -1.07 0.00 0.00 68.15 68.48 1f4h h THR 116 CO 0.71 0.13 0.74 -1.83 -0.01 0.00 0.00 175.52 175.25 1f4h s GLU 117 N -5.64 3.14 -0.35 0.00 4.04 -1.26 -4.73 118.70 113.90 1f4h s GLU 117 Ca -0.09 -0.63 -0.00 0.00 0.04 0.00 0.00 54.97 54.29 1f4h s GLU 117 Cb 0.20 -4.22 0.12 0.00 0.02 0.00 0.00 34.13 30.24 1f4h s GLU 117 CO 0.77 -1.94 0.16 1.21 -1.84 0.00 0.00 175.26 173.62 1f4h s ASN 118 N 3.71 3.66 -0.16 0.83 3.84 -1.10 -5.02 114.94 120.70 1f4h s ASN 118 Ca 0.27 -1.99 -0.41 0.00 0.21 0.00 0.00 52.86 50.94 1f4h s ASN 118 Cb -0.13 -0.76 -0.18 0.00 -0.55 0.00 0.00 41.25 39.62 1f4h s ASN 118 CO 0.12 -0.35 1.40 -2.65 -2.79 0.00 0.00 177.10 172.82 1f4h n PRO 119 N 4.36 0.49 -5.14 0.43 -0.02 -1.26 -3.86 135.00 130.00 1f4h n PRO 119 Ca 0.03 0.18 -0.29 0.00 -2.02 0.00 0.00 63.50 61.40 1f4h n PRO 119 Cb 0.39 -1.75 -0.16 0.00 -0.02 0.00 0.00 33.50 31.96 1f4h n PRO 119 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1f4h s THR 120 N 1.57 1.82 -0.17 3.45 2.01 0.38 -1.39 115.64 123.31 1f4h s THR 120 Ca 0.95 -0.98 0.01 0.00 0.31 0.00 0.00 61.69 61.98 1f4h s THR 120 Cb -1.22 -1.52 0.02 0.00 0.01 0.00 0.00 72.50 69.80 1f4h s THR 120 CO 0.63 0.51 -0.17 -0.83 -0.69 0.00 0.00 174.62 174.07 1f4h s GLY 121 N -0.46 1.29 -0.21 4.40 0.00 -0.38 -0.08 107.32 111.89 1f4h s GLY 121 Ca 0.07 -1.12 -0.13 0.00 0.00 0.00 0.00 44.72 43.53 1f4h s GLY 121 CO -0.00 0.42 0.29 0.00 0.00 0.00 0.00 173.10 173.80 1f4h s TYR 123 N 1.09 2.56 0.08 0.00 1.51 0.07 -1.02 117.35 121.64 1f4h s TYR 123 Ca 0.14 -0.25 -0.18 0.00 -1.01 0.00 0.00 57.07 55.77 1f4h s TYR 123 Cb -0.14 -1.41 0.04 0.00 -0.11 0.00 0.00 41.96 40.34 1f4h s TYR 123 CO 0.06 0.32 0.43 -1.54 -1.11 0.00 0.00 175.55 173.71 1f4h s SER 124 N -1.79 -0.30 -0.23 2.29 1.04 -0.37 -1.04 113.70 113.31 1f4h s SER 124 Ca 0.16 -0.09 -0.20 0.00 0.48 0.00 0.00 55.95 56.30 1f4h s SER 124 Cb -0.11 0.46 0.06 0.00 0.10 0.00 0.00 66.02 66.53 1f4h s SER 124 CO 0.08 -0.75 0.60 -0.22 0.98 0.00 0.00 173.24 173.93 1f4h s LEU 125 N -2.32 -0.35 -0.21 2.42 0.20 -0.80 -2.10 118.68 115.52 1f4h s LEU 125 Ca -0.02 1.23 -0.06 0.00 0.69 0.00 0.00 54.13 55.97 1f4h s LEU 125 Cb 0.00 2.07 -0.03 0.00 -0.43 0.00 0.00 46.19 47.80 1f4h s LEU 125 CO -0.06 -0.21 0.03 -0.89 -0.29 0.00 0.00 176.35 174.93 1f4h s THR 126 N 0.45 4.19 0.19 3.68 2.01 -1.26 0.25 115.64 125.16 1f4h s THR 126 Ca -0.01 -0.23 -0.09 0.00 0.31 0.00 0.00 61.69 61.68 1f4h s THR 126 Cb -0.04 -2.92 -0.01 0.00 0.01 0.00 0.00 72.50 69.54 1f4h s THR 126 CO -0.01 0.40 0.31 0.72 -0.69 0.00 0.00 174.62 175.35 1f4h s PHE 127 N 1.12 0.52 -0.18 4.92 -0.12 0.10 -4.98 117.98 119.36 1f4h s PHE 127 Ca 0.03 -0.86 -0.09 0.00 -0.05 0.00 0.00 56.93 55.96 1f4h s PHE 127 Cb -0.14 -0.08 -0.05 0.00 -0.63 0.00 0.00 43.02 42.12 1f4h s PHE 127 CO 0.02 -0.78 0.13 -0.80 -0.05 0.00 0.00 175.22 173.74 1f4h s ASN 128 N -3.02 6.19 -0.13 1.98 -0.87 -1.26 0.23 114.94 118.06 1f4h s ASN 128 Ca 0.22 0.26 -0.02 0.00 -1.57 0.00 0.00 52.86 51.75 1f4h s ASN 128 Cb 0.03 -2.07 -0.03 0.00 -0.02 0.00 0.00 41.25 39.16 1f4h s ASN 128 CO 0.05 0.22 -0.04 -0.69 -2.57 0.00 0.00 177.10 174.07 1f4h s VAL 129 N 0.12 3.90 -0.05 1.60 1.01 0.14 -4.98 120.40 122.14 1f4h s VAL 129 Ca 0.09 -0.37 -0.30 0.00 0.00 0.00 0.00 61.98 61.40 1f4h s VAL 129 Cb -0.11 -2.67 -0.05 0.00 0.00 0.00 0.00 36.38 33.54 1f4h s VAL 129 CO -0.01 0.53 1.54 -0.62 0.00 0.00 0.00 175.10 176.54 1f4h s ASP 130 N -0.06 6.74 0.39 3.32 2.15 -1.26 -2.71 116.67 125.25 1f4h s ASP 130 Ca 0.02 2.15 0.22 0.00 0.43 0.00 0.00 52.55 55.37 1f4h s ASP 130 Cb -0.13 -2.54 1.26 0.00 -0.30 0.00 0.00 42.92 41.21 1f4h s ASP 130 CO 0.03 -0.85 1.65 1.05 -0.17 0.00 0.00 175.17 176.88 1f4h h GLU 131 N 8.85 0.19 -0.87 4.34 4.11 -1.97 0.61 114.58 129.83 1f4h h GLU 131 Ca -0.37 -0.01 0.01 0.00 0.07 0.00 0.00 59.36 59.06 1f4h h GLU 131 Cb 1.17 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 30.33 1f4h h GLU 131 CO 0.94 0.13 0.57 0.66 0.07 0.00 0.00 179.01 181.38 1f4h h SER 132 N 0.20 0.99 -0.10 3.06 4.64 -2.00 0.91 113.55 121.24 1f4h h SER 132 Ca 0.76 -0.02 0.03 0.00 -0.47 0.00 0.00 61.79 62.09 1f4h h SER 132 Cb 2.10 -0.24 -0.00 0.00 -0.31 0.00 0.00 62.40 63.94 1f4h h SER 132 CO -0.50 0.71 0.12 -0.50 -0.87 0.00 0.00 176.83 175.79 1f4h h TRP 133 N 1.17 0.00 -0.01 4.77 4.06 -0.09 -1.77 115.95 124.07 1f4h h TRP 133 Ca 0.32 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.27 1f4h h TRP 133 Cb -0.12 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.04 1f4h h TRP 133 CO -0.01 0.00 -0.14 1.28 -3.56 0.00 0.00 178.44 176.01 1f4h n LEU 134 N -3.78 1.31 -0.08 -4.49 4.77 0.31 -4.12 117.00 110.92 1f4h n LEU 134 Ca -0.00 -0.40 -0.14 0.00 -0.03 0.00 0.00 56.01 55.44 1f4h n LEU 134 Cb 0.22 -0.06 -0.10 0.00 -2.33 0.00 0.00 43.42 41.15 1f4h n LEU 134 CO 0.27 0.23 -0.00 -0.61 -1.33 0.00 0.00 177.39 175.95 1f4h h GLN 135 N 1.83 0.00 -5.66 3.23 5.75 -1.25 -3.48 115.11 115.53 1f4h h GLN 135 Ca 0.00 0.00 -0.62 0.00 -0.15 0.00 0.00 58.65 57.88 1f4h h GLN 135 Cb 0.52 0.00 -0.12 0.00 1.07 0.00 0.00 27.48 28.95 1f4h h GLN 135 CO 0.00 0.78 -0.57 -1.21 -2.65 0.00 0.00 178.83 175.17 1f4h s GLU 136 N -2.17 2.02 2.09 1.69 0.41 -1.25 -5.08 118.70 116.40 1f4h s GLU 136 Ca -0.19 -2.10 0.00 0.00 -0.41 0.00 0.00 54.97 52.27 1f4h s GLU 136 Cb 0.01 -1.68 0.00 0.00 -1.78 0.00 0.00 34.13 30.67 1f4h s GLU 136 CO 0.53 -0.09 0.00 0.41 -0.49 0.00 0.00 175.26 175.61 1f4h n GLY 137 N -1.04 -0.72 3.33 -1.39 0.00 -1.26 -4.81 105.19 99.29 1f4h n GLY 137 Ca -0.06 -1.00 -0.31 0.00 0.00 0.00 0.00 46.02 44.65 1f4h n GLY 137 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1f4h s GLN 138 N 0.00 2.30 -0.09 1.61 0.74 0.19 -4.82 119.66 119.59 1f4h s GLN 138 Ca 0.00 -0.88 0.02 0.00 0.05 0.00 0.00 55.36 54.55 1f4h s GLN 138 Cb 0.00 -2.14 -0.02 0.00 1.10 0.00 0.00 33.01 31.95 1f4h s GLN 138 CO 0.00 0.52 -0.13 0.99 -0.55 0.00 0.00 175.29 176.13 1f4h s THR 139 N -0.51 3.15 0.14 -0.34 2.01 -1.26 -0.67 115.64 118.16 1f4h s THR 139 Ca 0.07 -0.66 -0.05 0.00 0.31 0.00 0.00 61.69 61.35 1f4h s THR 139 Cb -0.11 -2.28 -0.02 0.00 0.01 0.00 0.00 72.50 70.10 1f4h s THR 139 CO 0.00 0.56 0.17 0.00 -0.69 0.00 0.00 174.62 174.66 1f4h s ARG 140 N -0.25 1.02 -0.05 4.92 1.70 0.25 -1.84 118.95 124.71 1f4h s ARG 140 Ca 0.02 -1.28 0.06 0.00 -0.47 0.00 0.00 55.73 54.06 1f4h s ARG 140 Cb -0.13 0.31 -0.02 0.00 -0.57 0.00 0.00 34.95 34.54 1f4h s ARG 140 CO 0.03 -0.33 -0.23 -1.50 -1.08 0.00 0.00 175.30 172.19 1f4h s ILE 141 N -3.99 2.29 -0.16 4.99 2.07 0.22 0.38 121.20 127.01 1f4h s ILE 141 Ca 0.19 -1.00 0.02 0.00 -1.41 0.00 0.00 60.65 58.45 1f4h s ILE 141 Cb 0.05 -1.84 0.01 0.00 0.13 0.00 0.00 42.46 40.82 1f4h s ILE 141 CO -0.00 0.58 -0.20 -0.63 -1.91 0.00 0.00 174.94 172.77 1f4h s ILE 142 N -0.41 2.17 -0.31 2.00 1.01 0.13 -1.60 121.20 124.19 1f4h s ILE 142 Ca 0.04 -0.93 -0.06 0.00 0.00 0.00 0.00 60.65 59.70 1f4h s ILE 142 Cb -0.12 -1.89 0.03 0.00 0.01 0.00 0.00 42.46 40.49 1f4h s ILE 142 CO 0.01 0.54 0.07 -0.36 0.00 0.00 0.00 174.94 175.21 1f4h s PHE 143 N 0.97 3.20 0.18 3.97 0.40 -0.59 -0.66 117.98 125.45 1f4h s PHE 143 Ca -0.03 -1.33 0.30 0.00 -0.60 0.00 0.00 56.93 55.27 1f4h s PHE 143 Cb -0.15 -2.23 1.29 0.00 0.51 0.00 0.00 43.02 42.44 1f4h s PHE 143 CO -0.05 -0.69 1.97 -0.44 0.70 0.00 0.00 175.22 176.71 1f4h h ASP 144 N 8.19 0.00 -0.25 1.36 3.32 -0.52 -0.79 116.42 127.73 1f4h h ASP 144 Ca -0.26 0.00 0.26 0.00 0.02 0.00 0.00 57.03 57.04 1f4h h ASP 144 Cb 1.10 0.00 -0.21 0.00 0.22 0.00 0.00 39.33 40.43 1f4h h ASP 144 CO 0.59 0.09 0.20 -0.83 -1.72 0.00 0.00 179.24 177.57 1f4h s GLY 145 N -4.21 -0.24 -0.26 2.75 0.00 -1.26 -4.11 107.32 99.98 1f4h s GLY 145 Ca 0.00 2.92 0.02 0.00 0.00 0.00 0.00 44.72 47.66 1f4h s GLY 145 CO 0.57 3.85 -0.05 0.14 0.00 0.00 0.00 173.10 177.61 1f4h s VAL 146 N 2.94 1.76 -0.29 1.40 1.01 -1.25 -2.25 120.40 123.71 1f4h s VAL 146 Ca -0.04 -1.47 -0.10 0.00 0.00 0.00 0.00 61.98 60.36 1f4h s VAL 146 Cb -0.09 -2.02 -0.03 0.00 0.00 0.00 0.00 36.38 34.23 1f4h s VAL 146 CO -0.10 -0.17 0.17 0.21 0.00 0.00 0.00 175.10 175.21 1f4h s ASN 147 N 1.27 5.79 -0.00 3.32 3.84 0.60 -3.88 114.94 125.88 1f4h s ASN 147 Ca -0.04 -0.19 0.10 0.00 0.21 0.00 0.00 52.86 52.94 1f4h s ASN 147 Cb -0.19 -2.07 -0.12 0.00 -0.55 0.00 0.00 41.25 38.32 1f4h s ASN 147 CO -0.07 -0.10 0.40 -1.54 -2.79 0.00 0.00 177.10 172.99 1f4h n SER 148 N 5.03 0.81 -3.70 -4.21 3.41 -0.94 -0.58 113.62 113.45 1f4h n SER 148 Ca -0.14 -0.62 -0.08 0.00 -0.26 0.00 0.00 58.87 57.77 1f4h n SER 148 Cb 0.51 1.07 -0.02 0.00 -0.26 0.00 0.00 64.21 65.52 1f4h n SER 148 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1f4h s ALA 149 N -2.07 -1.00 -0.16 7.33 0.00 -1.21 -3.98 121.76 120.67 1f4h s ALA 149 Ca 0.03 -0.47 -0.34 0.00 0.00 0.00 0.00 51.96 51.17 1f4h s ALA 149 Cb 0.07 0.85 0.13 0.00 0.00 0.00 0.00 23.12 24.18 1f4h s ALA 149 CO 0.42 -1.01 1.21 -0.59 0.00 0.00 0.00 175.76 175.78 1f4h s PHE 150 N -3.63 -0.13 0.10 0.00 -0.12 -0.71 -1.86 117.98 111.63 1f4h s PHE 150 Ca 0.13 0.06 0.09 0.00 -0.05 0.00 0.00 56.93 57.16 1f4h s PHE 150 Cb -0.05 0.52 -0.03 0.00 -0.63 0.00 0.00 43.02 42.82 1f4h s PHE 150 CO 0.08 -0.23 -0.22 -1.01 -0.05 0.00 0.00 175.22 173.79 1f4h s HIS 151 N -2.45 1.92 -0.01 3.49 3.76 -0.98 -1.66 115.29 119.35 1f4h s HIS 151 Ca 0.10 -0.40 0.06 0.00 -0.15 0.00 0.00 55.06 54.66 1f4h s HIS 151 Cb -0.00 -1.06 -0.01 0.00 1.11 0.00 0.00 32.58 32.61 1f4h s HIS 151 CO -0.05 0.22 -0.18 -1.17 -0.85 0.00 0.00 174.74 172.71 1f4h s LEU 152 N -1.82 2.04 0.07 0.89 2.96 -0.66 -1.49 118.68 120.68 1f4h s LEU 152 Ca 0.08 -0.33 0.06 0.00 -0.22 0.00 0.00 54.13 53.72 1f4h s LEU 152 Cb -0.10 -0.92 -0.03 0.00 0.50 0.00 0.00 46.19 45.64 1f4h s LEU 152 CO 0.04 0.22 -0.16 0.26 -1.32 0.00 0.00 176.35 175.39 1f4h s TRP 153 N -0.44 1.38 -0.04 5.38 0.51 0.15 -0.05 118.94 125.82 1f4h s TRP 153 Ca 0.07 -0.43 -0.01 0.00 -2.12 0.00 0.00 56.10 53.60 1f4h s TRP 153 Cb -0.07 -0.78 0.03 0.00 -0.81 0.00 0.00 33.47 31.84 1f4h s TRP 153 CO -0.01 0.09 0.04 0.00 -0.51 0.00 0.00 176.95 176.56 1f4h n ASN 155 N 5.04 -1.21 0.00 0.00 3.02 -0.83 -0.56 115.26 120.72 1f4h n ASN 155 Ca -0.09 -0.94 0.00 0.00 -0.03 0.00 0.00 54.58 53.52 1f4h n ASN 155 Cb 0.50 -3.33 0.00 0.00 -0.61 0.00 0.00 39.78 36.34 1f4h n ASN 155 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1f4h n GLY 156 N -1.80 0.50 3.88 7.41 0.00 -1.26 -4.99 105.19 108.93 1f4h n GLY 156 Ca -0.24 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.47 1f4h n GLY 156 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1f4h s ARG 157 N -0.52 3.74 -0.02 1.61 0.52 0.27 -4.90 118.95 119.65 1f4h s ARG 157 Ca 0.00 0.15 -0.23 0.00 -0.52 0.00 0.00 55.73 55.13 1f4h s ARG 157 Cb 0.00 -2.70 -0.05 0.00 0.52 0.00 0.00 34.95 32.72 1f4h s ARG 157 CO 0.00 0.35 0.69 -0.46 0.02 0.00 0.00 175.30 175.90 1f4h s TRP 158 N -1.79 3.66 -0.23 -0.53 -0.00 -1.26 0.49 118.94 119.28 1f4h s TRP 158 Ca 0.45 1.30 -0.13 0.00 -0.00 0.00 0.00 56.10 57.72 1f4h s TRP 158 Cb -0.11 -2.75 -0.09 0.00 -0.00 0.00 0.00 33.47 30.51 1f4h s TRP 158 CO 0.23 0.22 -0.31 0.28 -0.00 0.00 0.00 176.95 177.37 1f4h n VAL 159 N 3.17 1.36 0.00 5.86 0.31 0.93 -4.87 118.33 125.08 1f4h n VAL 159 Ca -0.03 -0.24 0.00 0.00 -0.01 0.00 0.00 64.34 64.05 1f4h n VAL 159 Cb 0.51 -1.91 0.00 0.00 -0.91 0.00 0.00 33.84 31.53 1f4h n VAL 159 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1f4h n GLY 160 N 1.52 -0.92 3.15 2.92 0.00 -1.24 -4.75 105.19 105.87 1f4h n GLY 160 Ca -0.41 -1.15 -0.16 0.00 0.00 0.00 0.00 46.02 44.30 1f4h n GLY 160 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1f4h s TYR 161 N -2.00 1.04 -0.01 1.61 5.04 -0.44 -1.66 117.35 120.93 1f4h s TYR 161 Ca 0.00 -0.54 -0.03 0.00 -2.44 0.00 0.00 57.07 54.06 1f4h s TYR 161 Cb 0.00 -0.58 0.00 0.00 0.35 0.00 0.00 41.96 41.73 1f4h s TYR 161 CO 0.00 0.01 0.06 0.20 -1.34 0.00 0.00 175.55 174.48 1f4h s GLY 162 N -1.97 0.02 0.49 8.97 0.00 -0.66 -0.77 107.32 113.39 1f4h s GLY 162 Ca -0.01 -0.01 0.02 0.00 0.00 0.00 0.00 44.72 44.72 1f4h s GLY 162 CO 0.01 -0.07 0.02 1.20 0.00 0.00 0.00 173.10 174.27 1f4h s GLN 163 N -0.49 2.14 -0.03 2.90 -0.21 -0.68 -1.74 119.66 121.55 1f4h s GLN 163 Ca -0.06 -2.35 -0.03 0.00 0.02 0.00 0.00 55.36 52.95 1f4h s GLN 163 Cb -0.04 -1.37 0.01 0.00 1.00 0.00 0.00 33.01 32.61 1f4h s GLN 163 CO 0.00 -0.37 0.05 -3.47 -2.12 0.00 0.00 175.29 169.38 1f4h n ASP 164 N -1.26 -2.55 0.22 5.90 -0.08 -1.26 -4.93 116.55 112.60 1f4h n ASP 164 Ca -0.16 0.48 0.11 0.00 -1.51 0.00 0.00 54.79 53.72 1f4h n ASP 164 Cb 0.67 -2.33 0.28 0.00 2.34 0.00 0.00 41.12 42.07 1f4h n ASP 164 CO 0.00 0.00 0.00 0.28 0.12 0.00 0.00 177.20 177.60 1f4h h SER 165 N 1.30 0.00 -0.24 1.67 0.02 -1.80 -3.30 113.55 111.21 1f4h h SER 165 Ca -0.11 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.84 1f4h h SER 165 Cb 0.26 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.80 1f4h h SER 165 CO 0.00 0.10 0.00 0.54 -1.14 0.00 0.00 176.83 176.33 1f4h n ARG 166 N -3.14 2.75 -4.28 3.45 5.12 -1.26 -3.90 116.66 115.39 1f4h n ARG 166 Ca 0.03 -2.68 -0.17 0.00 -1.93 0.00 0.00 57.85 53.09 1f4h n ARG 166 Cb 0.51 -1.71 -0.14 0.00 -1.16 0.00 0.00 32.46 29.95 1f4h n ARG 166 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 1f4h s LEU 167 N -2.55 2.04 0.55 0.55 1.43 -1.24 -4.45 118.68 115.00 1f4h s LEU 167 Ca 0.38 -0.18 -0.21 0.00 -1.03 0.00 0.00 54.13 53.08 1f4h s LEU 167 Cb 0.30 -0.39 -0.04 0.00 0.03 0.00 0.00 46.19 46.08 1f4h s LEU 167 CO 0.09 0.07 1.34 -2.16 0.23 0.00 0.00 176.35 175.92 1f4h s PRO 168 N -0.32 3.10 -0.13 1.29 0.04 -1.26 -4.62 135.00 133.10 1f4h s PRO 168 Ca 0.02 2.19 0.01 0.00 0.04 0.00 0.00 61.00 63.27 1f4h s PRO 168 Cb -0.04 -2.21 0.02 0.00 0.04 0.00 0.00 34.50 32.31 1f4h s PRO 168 CO -0.00 -1.21 -0.16 -1.12 0.04 0.00 0.00 177.00 174.55 1f4h s SER 169 N -1.02 2.66 -0.09 6.66 0.01 -0.30 -4.97 113.70 116.64 1f4h s SER 169 Ca 0.73 -0.49 0.03 0.00 1.31 0.00 0.00 55.95 57.53 1f4h s SER 169 Cb -0.40 -1.19 -0.01 0.00 0.21 0.00 0.00 66.02 64.63 1f4h s SER 169 CO 0.46 -0.01 -0.19 -1.61 0.41 0.00 0.00 173.24 172.30 1f4h s GLU 170 N 1.18 2.97 0.05 12.44 2.02 -1.26 -1.54 118.70 134.56 1f4h s GLU 170 Ca -0.01 -0.80 0.08 0.00 0.02 0.00 0.00 54.97 54.26 1f4h s GLU 170 Cb -0.14 -2.39 -0.03 0.00 0.10 0.00 0.00 34.13 31.68 1f4h s GLU 170 CO -0.06 0.30 -0.23 -0.06 0.02 0.00 0.00 175.26 175.23 1f4h s PHE 171 N 0.08 1.99 -0.22 1.61 0.40 -0.63 -0.26 117.98 120.96 1f4h s PHE 171 Ca -0.09 -0.39 -0.28 0.00 -0.60 0.00 0.00 56.93 55.58 1f4h s PHE 171 Cb -0.15 -1.18 0.00 0.00 0.51 0.00 0.00 43.02 42.20 1f4h s PHE 171 CO 0.06 0.12 0.98 0.34 0.70 0.00 0.00 175.22 177.41 1f4h s ASP 172 N -1.27 7.04 0.01 1.36 2.15 -1.26 0.73 116.67 125.43 1f4h s ASP 172 Ca 0.09 1.30 0.22 0.00 0.43 0.00 0.00 52.55 54.59 1f4h s ASP 172 Cb -0.09 -2.51 -0.06 0.00 -0.30 0.00 0.00 42.92 39.95 1f4h s ASP 172 CO 0.02 -0.60 0.96 0.18 -0.17 0.00 0.00 175.17 175.56 1f4h n LEU 173 N 6.09 0.73 0.00 -1.34 4.77 -0.77 -4.71 117.00 121.77 1f4h n LEU 173 Ca 0.10 -0.26 0.00 0.00 -0.03 0.00 0.00 56.01 55.82 1f4h n LEU 173 Cb 0.47 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.50 1f4h n LEU 173 CO 0.51 0.16 0.00 -1.20 -1.33 0.00 0.00 177.39 175.52 1f4h n SER 174 N -1.69 0.00 -0.39 -1.43 7.64 -1.14 0.14 113.62 116.75 1f4h n SER 174 Ca 0.03 0.00 0.06 0.00 1.01 0.00 0.00 58.87 59.97 1f4h n SER 174 Cb 0.38 0.00 0.23 0.00 -1.01 0.00 0.00 64.21 63.82 1f4h n SER 174 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1f4h n ALA 175 N -3.50 2.50 0.25 -0.43 0.00 -1.26 -4.01 120.51 114.06 1f4h n ALA 175 Ca 0.00 -0.39 0.04 0.00 0.00 0.00 0.00 53.44 53.09 1f4h n ALA 175 Cb 0.00 -1.05 -0.05 0.00 0.00 0.00 0.00 19.45 18.35 1f4h n ALA 175 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1f4h n PHE 176 N 0.07 0.00 -2.72 0.00 3.01 0.37 -4.99 117.46 113.20 1f4h n PHE 176 Ca 0.11 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.14 1f4h n PHE 176 Cb 0.21 -0.05 -0.03 0.00 -0.01 0.00 0.00 39.48 39.60 1f4h n PHE 176 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1f4h s LEU 177 N -2.71 4.28 -0.07 4.37 1.43 -1.15 -4.63 118.68 120.20 1f4h s LEU 177 Ca 0.01 1.53 -0.03 0.00 -1.03 0.00 0.00 54.13 54.61 1f4h s LEU 177 Cb 0.05 -3.52 -0.04 0.00 0.03 0.00 0.00 46.19 42.72 1f4h s LEU 177 CO 0.31 -0.39 0.07 0.00 0.23 0.00 0.00 176.35 176.57 1f4h s ARG 178 N 1.73 3.15 -0.08 1.70 1.70 -1.26 -5.01 118.95 120.87 1f4h s ARG 178 Ca 0.48 -0.34 -0.37 0.00 -0.47 0.00 0.00 55.73 55.03 1f4h s ARG 178 Cb -0.19 -2.93 -0.15 0.00 -0.57 0.00 0.00 34.95 31.11 1f4h s ARG 178 CO 0.20 0.71 1.67 0.00 -1.08 0.00 0.00 175.30 176.80 1f4h n ALA 179 N 1.82 0.17 0.00 7.88 0.00 -1.26 -4.15 120.51 124.97 1f4h n ALA 179 Ca -0.17 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.66 1f4h n ALA 179 Cb 0.54 -2.29 0.00 0.00 0.00 0.00 0.00 19.45 17.70 1f4h n ALA 179 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1f4h n GLY 180 N 3.76 1.28 3.63 0.00 0.00 -1.10 -4.94 105.19 107.83 1f4h n GLY 180 Ca 0.22 -0.94 -0.42 0.00 0.00 0.00 0.00 46.02 44.88 1f4h n GLY 180 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1f4h s GLU 181 N 0.00 4.07 0.27 1.61 2.12 -1.26 0.24 118.70 125.74 1f4h s GLU 181 Ca 0.00 0.84 0.12 0.00 0.36 0.00 0.00 54.97 56.28 1f4h s GLU 181 Cb 0.00 -3.70 -0.05 0.00 0.26 0.00 0.00 34.13 30.64 1f4h s GLU 181 CO 0.00 -0.67 -0.20 -0.80 -0.54 0.00 0.00 175.26 173.05 1f4h s ASN 182 N 1.51 3.48 -0.01 -1.70 0.01 0.13 -4.75 114.94 113.62 1f4h s ASN 182 Ca 0.36 -1.01 0.03 0.00 -0.71 0.00 0.00 52.86 51.52 1f4h s ASN 182 Cb -0.14 -0.28 -0.00 0.00 0.41 0.00 0.00 41.25 41.23 1f4h s ASN 182 CO 0.11 0.03 -0.08 -0.60 -1.51 0.00 0.00 177.10 175.04 1f4h s ARG 183 N -3.45 0.73 0.01 -0.60 3.52 -1.26 0.03 118.95 117.94 1f4h s ARG 183 Ca 0.28 -0.30 -0.10 0.00 -0.13 0.00 0.00 55.73 55.48 1f4h s ARG 183 Cb -0.05 -0.70 -0.05 0.00 -1.56 0.00 0.00 34.95 32.58 1f4h s ARG 183 CO 0.14 0.17 0.34 -0.51 -0.81 0.00 0.00 175.30 174.62 1f4h s LEU 184 N -0.12 4.40 -0.30 -0.88 1.43 0.71 -1.97 118.68 121.94 1f4h s LEU 184 Ca 0.02 0.75 -0.02 0.00 -1.03 0.00 0.00 54.13 53.84 1f4h s LEU 184 Cb -0.04 -2.66 0.10 0.00 0.03 0.00 0.00 46.19 43.62 1f4h s LEU 184 CO -0.00 0.27 0.12 0.00 0.23 0.00 0.00 176.35 176.97 1f4h s ALA 185 N -1.23 1.06 -0.20 4.21 0.00 -0.54 -1.89 121.76 123.17 1f4h s ALA 185 Ca 0.26 -1.38 -0.03 0.00 0.00 0.00 0.00 51.96 50.81 1f4h s ALA 185 Cb -0.14 -1.50 -0.01 0.00 0.00 0.00 0.00 23.12 21.46 1f4h s ALA 185 CO 0.14 -1.67 -0.06 0.08 0.00 0.00 0.00 175.76 174.26 1f4h s VAL 186 N 1.85 3.37 -0.24 0.00 1.01 -0.20 0.34 120.40 126.53 1f4h s VAL 186 Ca 0.10 -0.51 0.02 0.00 0.00 0.00 0.00 61.98 61.59 1f4h s VAL 186 Cb -0.17 -2.51 0.06 0.00 0.00 0.00 0.00 36.38 33.76 1f4h s VAL 186 CO -0.31 0.45 -0.08 0.00 0.00 0.00 0.00 175.10 175.16 1f4h s MET 187 N 1.16 1.92 0.03 2.72 0.23 -0.55 -0.75 119.30 124.06 1f4h s MET 187 Ca 0.02 -1.14 -0.25 0.00 -1.03 0.00 0.00 55.69 53.28 1f4h s MET 187 Cb -0.14 -2.71 -0.05 0.00 -1.53 0.00 0.00 34.83 30.39 1f4h s MET 187 CO -0.01 -0.58 0.78 0.08 -2.03 0.00 0.00 175.02 173.26 1f4h s VAL 188 N 1.26 4.76 -0.16 5.16 1.01 -0.71 -2.33 120.40 129.40 1f4h s VAL 188 Ca -0.07 1.65 -0.07 0.00 0.00 0.00 0.00 61.98 63.49 1f4h s VAL 188 Cb -0.19 -4.13 -0.04 0.00 0.00 0.00 0.00 36.38 32.02 1f4h s VAL 188 CO -0.06 0.34 0.10 -0.76 0.00 0.00 0.00 175.10 174.72 1f4h s LEU 189 N 0.09 4.06 0.14 3.92 1.43 -0.78 -1.25 118.68 126.30 1f4h s LEU 189 Ca 0.39 0.23 -0.06 0.00 -1.03 0.00 0.00 54.13 53.67 1f4h s LEU 189 Cb -0.20 -2.01 -0.03 0.00 0.03 0.00 0.00 46.19 43.97 1f4h s LEU 189 CO 0.23 0.26 1.37 -0.09 0.23 0.00 0.00 176.35 178.36 1f4h h ARG 190 N 6.06 0.56 -6.29 1.70 2.43 -1.48 -2.48 114.38 114.88 1f4h h ARG 190 Ca -0.44 -0.46 -0.69 0.00 -0.81 0.00 0.00 59.98 57.57 1f4h h ARG 190 Cb 1.18 0.10 -0.28 0.00 -0.42 0.00 0.00 29.97 30.55 1f4h h ARG 190 CO 0.67 1.09 -0.84 -1.58 -1.51 0.00 0.00 179.97 177.80 1f4h s TRP 191 N -3.64 2.51 0.23 2.20 0.23 -1.26 -4.20 118.94 115.01 1f4h s TRP 191 Ca -0.07 -0.42 -0.02 0.00 -2.03 0.00 0.00 56.10 53.55 1f4h s TRP 191 Cb 0.10 -1.59 -0.03 0.00 0.03 0.00 0.00 33.47 31.98 1f4h s TRP 191 CO 0.87 -0.01 0.22 -1.54 0.96 0.00 0.00 176.95 177.45 1f4h s SER 192 N -0.49 0.32 0.55 2.95 1.04 -1.26 -4.97 113.70 111.84 1f4h s SER 192 Ca 0.06 -1.36 0.22 0.00 0.48 0.00 0.00 55.95 55.35 1f4h s SER 192 Cb -0.11 0.45 1.51 0.00 0.10 0.00 0.00 66.02 67.96 1f4h s SER 192 CO 0.01 -0.94 2.19 -2.24 0.98 0.00 0.00 173.24 173.24 1f4h h ASP 193 N 2.48 0.00 0.00 7.02 3.04 0.29 0.10 116.42 129.35 1f4h h ASP 193 Ca -0.33 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.46 1f4h h ASP 193 Cb 1.25 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.54 1f4h h ASP 193 CO 0.47 0.00 0.10 1.23 -2.04 0.00 0.00 179.24 179.00 1f4h h GLY 194 N 0.00 0.00 2.00 7.15 0.00 -1.90 -2.47 103.07 107.85 1f4h h GLY 194 Ca 0.01 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.28 1f4h h GLY 194 CO -0.00 0.00 -0.30 1.76 0.00 0.00 0.00 176.54 178.00 1f4h h SER 195 N 0.00 0.00 -0.10 0.19 0.02 -1.15 -2.37 113.55 110.14 1f4h h SER 195 Ca 0.00 0.00 0.03 0.00 -0.84 0.00 0.00 61.79 60.98 1f4h h SER 195 Cb 0.20 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.74 1f4h h SER 195 CO 0.00 0.30 0.07 1.88 -1.14 0.00 0.00 176.83 177.94 1f4h h TYR 196 N 0.00 0.01 -0.58 3.45 -1.99 -1.62 -1.91 116.97 114.33 1f4h h TYR 196 Ca -0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1f4h h TYR 196 Cb 0.54 -0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.26 1f4h h TYR 196 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 178.16 179.44 1f4h n LEU 197 N -4.51 3.55 -2.23 3.88 4.77 -0.89 -4.21 117.00 117.37 1f4h n LEU 197 Ca -0.01 -1.70 -0.14 0.00 -0.03 0.00 0.00 56.01 54.14 1f4h n LEU 197 Cb 0.18 -0.39 0.04 0.00 -2.33 0.00 0.00 43.42 40.93 1f4h n LEU 197 CO 0.35 0.85 0.12 -0.62 -1.33 0.00 0.00 177.39 176.75 1f4h n GLU 198 N 1.47 2.79 -1.19 3.23 1.02 -0.72 0.06 120.64 127.30 1f4h n GLU 198 Ca 0.22 -3.85 -0.18 0.00 -0.02 0.00 0.00 57.16 53.33 1f4h n GLU 198 Cb 0.58 -1.96 -0.13 0.00 -0.02 0.00 0.00 31.44 29.91 1f4h n GLU 198 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1f4h n ASP 199 N -0.66 5.73 -4.83 1.62 2.03 0.34 -4.94 116.55 115.85 1f4h n ASP 199 Ca 0.29 -2.75 -0.35 0.00 0.52 0.00 0.00 54.79 52.50 1f4h n ASP 199 Cb 0.90 -1.35 -0.06 0.00 -0.72 0.00 0.00 41.12 39.89 1f4h n ASP 199 CO 0.00 0.00 0.00 -1.10 -1.92 0.00 0.00 177.20 174.18 1f4h s GLN 200 N 0.00 4.18 -0.55 -0.67 1.11 -1.26 -4.41 119.66 118.06 1f4h s GLN 200 Ca 0.64 0.82 -0.26 0.00 0.01 0.00 0.00 55.36 56.57 1f4h s GLN 200 Cb 0.34 -2.71 -0.04 0.00 -1.01 0.00 0.00 33.01 29.59 1f4h s GLN 200 CO -0.08 0.30 2.05 0.34 0.01 0.00 0.00 175.29 177.91 1f4h s ASP 201 N -1.87 5.02 -0.25 5.90 2.15 -1.24 -4.83 116.67 121.55 1f4h s ASP 201 Ca 0.47 0.66 -0.37 0.00 0.43 0.00 0.00 52.55 53.74 1f4h s ASP 201 Cb -0.14 -2.52 0.16 0.00 -0.30 0.00 0.00 42.92 40.11 1f4h s ASP 201 CO 0.20 -2.51 1.39 0.00 -0.17 0.00 0.00 175.17 174.08 1f4h s MET 202 N 7.37 0.03 0.57 4.34 0.23 -1.24 -5.00 119.30 125.62 1f4h s MET 202 Ca 0.78 -0.01 -0.19 0.00 -1.03 0.00 0.00 55.69 55.23 1f4h s MET 202 Cb -0.15 0.01 -0.05 0.00 -1.53 0.00 0.00 34.83 33.11 1f4h s MET 202 CO 0.23 -0.02 1.02 0.91 -2.03 0.00 0.00 175.02 175.14 1f4h n TRP 203 N -0.12 1.05 -3.74 3.16 7.02 -1.26 -4.20 117.44 119.36 1f4h n TRP 203 Ca 0.02 0.45 -0.38 0.00 -1.02 0.00 0.00 57.50 56.57 1f4h n TRP 203 Cb 0.58 -2.18 -0.12 0.00 -2.42 0.00 0.00 31.31 27.17 1f4h n TRP 203 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 1f4h s ARG 204 N -2.69 2.59 0.00 -0.99 1.81 0.79 -4.91 118.95 115.55 1f4h s ARG 204 Ca 0.74 -1.22 0.00 0.00 -1.72 0.00 0.00 55.73 53.52 1f4h s ARG 204 Cb -0.43 -3.48 0.00 0.00 -0.45 0.00 0.00 34.95 30.58 1f4h s ARG 204 CO 0.48 -0.70 0.00 -1.33 -0.68 0.00 0.00 175.30 173.07 1f4h n MET 205 N 4.81 1.82 -3.67 3.54 2.81 -1.26 -3.13 117.12 122.04 1f4h n MET 205 Ca -0.12 0.00 -0.07 0.00 -1.81 0.00 0.00 57.70 55.70 1f4h n MET 205 Cb 0.44 0.00 -0.02 0.00 -0.71 0.00 0.00 33.22 32.94 1f4h n MET 205 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 1f4h s SER 206 N -0.87 -0.32 0.00 7.83 1.04 -1.26 -4.83 113.70 115.29 1f4h s SER 206 Ca 0.00 -0.31 0.00 0.00 0.48 0.00 0.00 55.95 56.12 1f4h s SER 206 Cb 0.00 0.57 0.00 0.00 0.10 0.00 0.00 66.02 66.69 1f4h s SER 206 CO 0.00 -1.00 0.00 0.61 0.98 0.00 0.00 173.24 173.83 1f4h n GLY 207 N -0.41 0.66 3.10 7.32 0.00 0.25 -2.33 105.19 113.80 1f4h n GLY 207 Ca -0.08 -2.12 -0.39 0.00 0.00 0.00 0.00 46.02 43.43 1f4h n GLY 207 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1f4h n ILE 208 N 3.00 3.74 1.77 -0.61 5.41 -1.13 -0.29 119.36 131.24 1f4h n ILE 208 Ca 0.00 -5.32 0.15 0.00 1.00 0.00 0.00 62.75 58.58 1f4h n ILE 208 Cb 0.00 -2.37 0.79 0.00 -0.71 0.00 0.00 39.64 37.34 1f4h n ILE 208 CO 0.00 0.00 0.00 2.22 0.00 0.00 0.00 176.55 178.77 1f4h n PHE 209 N 2.14 0.00 -1.78 1.39 1.16 -0.95 -0.54 117.46 118.88 1f4h n PHE 209 Ca 0.24 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.82 1f4h n PHE 209 Cb 0.37 -0.04 0.00 0.00 -1.61 0.00 0.00 39.48 38.21 1f4h n PHE 209 CO 0.00 0.00 0.00 0.54 -1.87 0.00 0.00 176.76 175.43 1f4h n ARG 210 N -0.70 2.41 -3.50 3.97 1.74 -1.21 -4.38 116.66 115.00 1f4h n ARG 210 Ca 0.21 0.00 -0.20 0.00 -0.77 0.00 0.00 57.85 57.09 1f4h n ARG 210 Cb 0.20 0.00 -0.02 0.00 -1.02 0.00 0.00 32.46 31.62 1f4h n ARG 210 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1f4h s ASP 211 N 1.00 5.41 -0.11 0.55 1.01 -1.26 -4.08 116.67 119.20 1f4h s ASP 211 Ca 0.00 -0.50 -0.00 0.00 0.71 0.00 0.00 52.55 52.75 1f4h s ASP 211 Cb 0.00 -0.82 0.02 0.00 1.01 0.00 0.00 42.92 43.13 1f4h s ASP 211 CO 0.00 -0.55 -0.07 -0.69 0.21 0.00 0.00 175.17 174.07 1f4h s VAL 212 N -2.35 0.95 0.30 -1.27 1.01 -1.24 0.23 120.40 118.05 1f4h s VAL 212 Ca 0.47 -0.25 0.02 0.00 0.00 0.00 0.00 61.98 62.23 1f4h s VAL 212 Cb -0.07 -0.98 -0.05 0.00 0.00 0.00 0.00 36.38 35.29 1f4h s VAL 212 CO 0.29 0.35 0.11 -0.44 0.00 0.00 0.00 175.10 175.42 1f4h s SER 213 N 1.68 1.67 -0.03 3.32 0.01 0.17 -0.01 113.70 120.50 1f4h s SER 213 Ca 0.04 -1.47 0.07 0.00 1.31 0.00 0.00 55.95 55.90 1f4h s SER 213 Cb -0.13 0.23 -0.02 0.00 0.21 0.00 0.00 66.02 66.31 1f4h s SER 213 CO -0.07 -0.78 -0.25 -0.76 0.41 0.00 0.00 173.24 171.79 1f4h s LEU 214 N -3.39 2.05 -0.02 2.44 1.43 0.64 0.21 118.68 122.05 1f4h s LEU 214 Ca 0.35 -0.48 0.02 0.00 -1.03 0.00 0.00 54.13 53.00 1f4h s LEU 214 Cb 0.07 -1.33 0.00 0.00 0.03 0.00 0.00 46.19 44.96 1f4h s LEU 214 CO 0.15 0.28 -0.07 -0.22 0.23 0.00 0.00 176.35 176.73 1f4h s LEU 215 N -0.41 1.83 -0.27 1.79 2.96 0.16 -0.29 118.68 124.45 1f4h s LEU 215 Ca 0.04 -0.14 -0.02 0.00 -0.22 0.00 0.00 54.13 53.80 1f4h s LEU 215 Cb -0.11 -0.41 0.04 0.00 0.50 0.00 0.00 46.19 46.21 1f4h s LEU 215 CO 0.01 0.05 -0.04 -2.28 -1.32 0.00 0.00 176.35 172.78 1f4h s HIS 216 N 0.11 3.15 0.32 5.38 5.65 -0.57 0.88 115.29 130.21 1f4h s HIS 216 Ca -0.01 -1.70 0.10 0.00 0.25 0.00 0.00 55.06 53.70 1f4h s HIS 216 Cb -0.06 -2.07 -0.06 0.00 -1.18 0.00 0.00 32.58 29.21 1f4h s HIS 216 CO -0.00 -0.76 -0.11 0.15 -0.65 0.00 0.00 174.74 173.36 1f4h s LYS 217 N 1.29 1.81 0.96 2.88 1.02 0.15 -4.86 119.74 122.99 1f4h s LYS 217 Ca -0.02 -1.86 -0.15 0.00 0.02 0.00 0.00 55.97 53.96 1f4h s LYS 217 Cb -0.18 -1.76 0.21 0.00 -0.52 0.00 0.00 37.83 35.58 1f4h s LYS 217 CO -0.03 0.20 1.31 -1.25 -0.92 0.00 0.00 175.35 174.66 1f4h s PRO 218 N -3.59 0.60 0.04 -1.68 0.05 -1.26 0.53 135.00 129.68 1f4h s PRO 218 Ca 0.32 -0.52 -0.07 0.00 0.05 0.00 0.00 61.00 60.78 1f4h s PRO 218 Cb -0.00 -1.88 -0.30 0.00 0.05 0.00 0.00 34.50 32.37 1f4h s PRO 218 CO 0.16 -2.42 1.00 1.79 0.05 0.00 0.00 177.00 177.59 1f4h h THR 219 N -1.61 1.32 -3.46 1.26 1.35 -1.91 -3.38 112.91 106.48 1f4h h THR 219 Ca -0.44 -2.88 -0.72 0.00 -0.55 0.00 0.00 66.41 61.83 1f4h h THR 219 Cb 1.23 2.91 -0.23 0.00 -1.73 0.00 0.00 68.15 70.33 1f4h h THR 219 CO 0.36 0.85 -0.42 -0.89 -0.25 0.00 0.00 175.52 175.16 1f4h s THR 220 N -2.63 5.03 0.36 6.82 2.01 -1.26 -3.81 115.64 122.17 1f4h s THR 220 Ca -0.07 -0.87 0.06 0.00 0.31 0.00 0.00 61.69 61.11 1f4h s THR 220 Cb 0.06 -3.88 -0.02 0.00 0.01 0.00 0.00 72.50 68.67 1f4h s THR 220 CO 0.89 -0.38 0.21 0.00 -0.69 0.00 0.00 174.62 174.64 1f4h n GLN 221 N 5.12 0.49 -3.26 4.92 10.64 0.95 -4.91 117.38 131.32 1f4h n GLN 221 Ca -0.11 -3.32 -0.40 0.00 -1.83 0.00 0.00 57.00 51.33 1f4h n GLN 221 Cb 0.46 2.23 -0.08 0.00 -0.86 0.00 0.00 30.24 31.99 1f4h n GLN 221 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.06 175.65 1f4h s ILE 222 N -3.18 5.07 -0.07 -0.39 1.01 -1.26 -1.15 121.20 121.23 1f4h s ILE 222 Ca 0.29 0.68 0.21 0.00 0.00 0.00 0.00 60.65 61.83 1f4h s ILE 222 Cb 0.01 -3.84 -0.29 0.00 0.01 0.00 0.00 42.46 38.35 1f4h s ILE 222 CO 0.21 0.01 0.50 -1.54 0.00 0.00 0.00 174.94 174.12 1f4h n SER 223 N 5.56 0.11 -3.52 3.58 3.41 -0.15 -4.89 113.62 117.72 1f4h n SER 223 Ca -0.05 0.04 -0.09 0.00 -0.26 0.00 0.00 58.87 58.52 1f4h n SER 223 Cb 0.50 1.69 -0.03 0.00 -0.26 0.00 0.00 64.21 66.11 1f4h n SER 223 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1f4h s ASP 224 N -4.74 -0.35 -0.25 4.04 -1.08 -1.23 -4.88 116.67 108.18 1f4h s ASP 224 Ca -0.07 0.07 -0.26 0.00 -0.52 0.00 0.00 52.55 51.77 1f4h s ASP 224 Cb 0.13 0.36 0.08 0.00 -1.46 0.00 0.00 42.92 42.03 1f4h s ASP 224 CO 0.89 -0.55 0.80 0.72 0.52 0.00 0.00 175.17 177.54 1f4h s PHE 225 N -2.75 -0.69 0.02 -5.34 -0.12 -1.26 -2.27 117.98 105.57 1f4h s PHE 225 Ca 0.04 1.64 0.07 0.00 -0.05 0.00 0.00 56.93 58.63 1f4h s PHE 225 Cb -0.01 0.31 -0.02 0.00 -0.63 0.00 0.00 43.02 42.67 1f4h s PHE 225 CO -0.07 -0.37 -0.20 -1.01 -0.05 0.00 0.00 175.22 173.52 1f4h s HIS 226 N 0.16 1.79 0.05 3.49 3.76 -0.55 -4.81 115.29 119.18 1f4h s HIS 226 Ca -0.00 -0.36 0.04 0.00 -0.15 0.00 0.00 55.06 54.59 1f4h s HIS 226 Cb -0.04 -1.10 -0.04 0.00 1.11 0.00 0.00 32.58 32.51 1f4h s HIS 226 CO 0.00 0.05 -0.03 0.08 -0.85 0.00 0.00 174.74 173.99 1f4h s VAL 227 N -0.69 3.85 -0.02 -0.90 1.01 -1.26 0.46 120.40 122.84 1f4h s VAL 227 Ca 0.07 -0.89 -0.17 0.00 0.00 0.00 0.00 61.98 60.99 1f4h s VAL 227 Cb -0.08 -2.76 0.03 0.00 0.00 0.00 0.00 36.38 33.57 1f4h s VAL 227 CO 0.01 0.25 0.37 0.00 0.00 0.00 0.00 175.10 175.73 1f4h s ALA 228 N -1.16 -0.94 -0.17 5.51 0.00 0.39 -4.91 121.76 120.48 1f4h s ALA 228 Ca 0.21 0.50 -0.02 0.00 0.00 0.00 0.00 51.96 52.65 1f4h s ALA 228 Cb -0.11 0.05 0.05 0.00 0.00 0.00 0.00 23.12 23.10 1f4h s ALA 228 CO 0.13 -0.28 0.02 0.95 0.00 0.00 0.00 175.76 176.59 1f4h s THR 229 N -1.27 0.54 0.42 0.00 -4.23 -1.25 0.52 115.64 110.37 1f4h s THR 229 Ca -0.13 -0.42 -0.00 0.00 -1.18 0.00 0.00 61.69 59.96 1f4h s THR 229 Cb -0.04 -0.95 -0.02 0.00 1.34 0.00 0.00 72.50 72.83 1f4h s THR 229 CO 0.05 -0.08 0.64 -0.13 -0.54 0.00 0.00 174.62 174.56 1f4h s ARG 230 N 1.87 3.28 0.28 3.99 0.52 0.10 -4.79 118.95 124.21 1f4h s ARG 230 Ca 0.00 -0.34 0.02 0.00 -0.52 0.00 0.00 55.73 54.90 1f4h s ARG 230 Cb -0.16 -2.57 -0.06 0.00 0.52 0.00 0.00 34.95 32.68 1f4h s ARG 230 CO -0.07 -0.11 0.08 -0.06 0.02 0.00 0.00 175.30 175.17 1f4h s PHE 231 N -2.49 1.68 0.44 -0.53 0.40 -1.26 0.12 117.98 116.34 1f4h s PHE 231 Ca 0.45 -1.11 0.08 0.00 -0.60 0.00 0.00 56.93 55.75 1f4h s PHE 231 Cb -0.10 -1.03 -0.01 0.00 0.51 0.00 0.00 43.02 42.40 1f4h s PHE 231 CO 0.38 -0.22 0.42 0.54 0.70 0.00 0.00 175.22 177.04 1f4h s ASN 232 N -3.37 5.05 0.23 1.36 4.22 -0.94 -4.98 114.94 116.50 1f4h s ASN 232 Ca 0.37 -0.79 -0.16 0.00 -2.14 0.00 0.00 52.86 50.14 1f4h s ASN 232 Cb 0.08 -0.41 0.26 0.00 1.28 0.00 0.00 41.25 42.46 1f4h s ASN 232 CO 0.14 -0.75 1.56 -2.24 -2.04 0.00 0.00 177.10 173.77 1f4h h ASP 233 N 0.92 -1.27 -0.43 3.54 2.03 -2.03 -1.17 116.42 118.01 1f4h h ASP 233 Ca -0.40 0.29 0.00 0.00 -0.73 0.00 0.00 57.03 56.19 1f4h h ASP 233 Cb 1.27 0.69 0.00 0.00 -0.83 0.00 0.00 39.33 40.46 1f4h h ASP 233 CO 0.55 -0.30 0.00 -0.90 -1.03 0.00 0.00 179.24 177.57 1f4h n ASP 234 N -5.49 3.24 -0.85 4.15 5.68 -1.26 -4.93 116.55 117.09 1f4h n ASP 234 Ca 0.10 -1.96 -0.10 0.00 -0.50 0.00 0.00 54.79 52.33 1f4h n ASP 234 Cb 0.41 -0.28 -0.03 0.00 -1.14 0.00 0.00 41.12 40.08 1f4h n ASP 234 CO 0.00 0.00 0.00 0.49 -1.33 0.00 0.00 177.20 176.36 1f4h n PHE 235 N 1.32 -0.14 0.68 2.11 3.01 -0.44 -4.90 117.46 119.11 1f4h n PHE 235 Ca 0.20 0.00 0.13 0.00 1.01 0.00 0.00 57.45 58.79 1f4h n PHE 235 Cb 0.56 -2.03 0.39 0.00 -0.01 0.00 0.00 39.48 38.38 1f4h n PHE 235 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 1f4h n SER 236 N 0.35 0.68 -3.75 4.37 3.41 -1.26 -4.57 113.62 112.85 1f4h n SER 236 Ca -0.10 0.46 -0.12 0.00 -0.26 0.00 0.00 58.87 58.84 1f4h n SER 236 Cb 0.40 -0.55 -0.12 0.00 -0.26 0.00 0.00 64.21 63.68 1f4h n SER 236 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1f4h s ARG 237 N -3.10 0.32 0.35 4.33 1.70 -1.26 0.16 118.95 121.45 1f4h s ARG 237 Ca 0.10 0.51 0.09 0.00 -0.47 0.00 0.00 55.73 55.97 1f4h s ARG 237 Cb 0.14 0.06 -0.07 0.00 -0.57 0.00 0.00 34.95 34.51 1f4h s ARG 237 CO 0.61 -0.09 -0.09 0.00 -1.08 0.00 0.00 175.30 174.65 1f4h s ALA 238 N 0.65 2.98 -0.11 7.88 0.00 0.23 -2.22 121.76 131.17 1f4h s ALA 238 Ca -0.04 -2.11 -0.01 0.00 0.00 0.00 0.00 51.96 49.81 1f4h s ALA 238 Cb -0.05 -0.04 0.03 0.00 0.00 0.00 0.00 23.12 23.06 1f4h s ALA 238 CO -0.04 0.07 -0.04 0.08 0.00 0.00 0.00 175.76 175.83 1f4h s VAL 239 N -2.61 0.77 -0.21 0.00 1.01 0.32 -1.83 120.40 117.84 1f4h s VAL 239 Ca 0.33 -0.19 -0.21 0.00 0.00 0.00 0.00 61.98 61.91 1f4h s VAL 239 Cb 0.03 -0.89 -0.02 0.00 0.00 0.00 0.00 36.38 35.50 1f4h s VAL 239 CO 0.17 0.27 0.63 -0.22 0.00 0.00 0.00 175.10 175.95 1f4h s LEU 240 N 1.80 4.13 -0.14 3.92 2.96 -0.71 0.03 118.68 130.67 1f4h s LEU 240 Ca 0.04 0.81 0.02 0.00 -0.22 0.00 0.00 54.13 54.78 1f4h s LEU 240 Cb -0.13 -2.89 0.00 0.00 0.50 0.00 0.00 46.19 43.68 1f4h s LEU 240 CO -0.07 -0.29 -0.19 -0.70 -1.32 0.00 0.00 176.35 173.77 1f4h s GLU 241 N 2.03 3.11 -0.07 1.98 2.12 0.19 -0.40 118.70 127.67 1f4h s GLU 241 Ca 0.28 -0.81 0.04 0.00 0.36 0.00 0.00 54.97 54.84 1f4h s GLU 241 Cb -0.16 -2.50 0.00 0.00 0.26 0.00 0.00 34.13 31.74 1f4h s GLU 241 CO 0.10 0.03 -0.19 0.00 -0.54 0.00 0.00 175.26 174.66 1f4h s ALA 242 N 0.74 1.72 -0.18 6.30 0.00 0.50 -0.46 121.76 130.38 1f4h s ALA 242 Ca -0.08 -0.73 -0.03 0.00 0.00 0.00 0.00 51.96 51.12 1f4h s ALA 242 Cb -0.16 -0.64 -0.01 0.00 0.00 0.00 0.00 23.12 22.31 1f4h s ALA 242 CO 0.00 0.25 -0.07 -2.00 0.00 0.00 0.00 175.76 173.94 1f4h s GLU 243 N 0.31 3.45 -0.14 0.00 2.12 0.17 -0.69 118.70 123.93 1f4h s GLU 243 Ca -0.12 -0.62 -0.00 0.00 0.36 0.00 0.00 54.97 54.59 1f4h s GLU 243 Cb -0.15 -2.87 -0.01 0.00 0.26 0.00 0.00 34.13 31.36 1f4h s GLU 243 CO 0.05 0.04 -0.13 0.08 -0.54 0.00 0.00 175.26 174.76 1f4h s VAL 244 N 0.86 3.02 0.13 3.70 1.01 0.21 -1.48 120.40 127.84 1f4h s VAL 244 Ca -0.02 -0.67 0.10 0.00 0.00 0.00 0.00 61.98 61.39 1f4h s VAL 244 Cb -0.15 -2.27 -0.04 0.00 0.00 0.00 0.00 36.38 33.92 1f4h s VAL 244 CO 0.01 0.52 -0.22 -1.10 0.00 0.00 0.00 175.10 174.30 1f4h s GLN 245 N 0.47 1.59 0.23 2.72 -0.21 -0.96 0.20 119.66 123.70 1f4h s GLN 245 Ca -0.09 -1.27 0.02 0.00 0.02 0.00 0.00 55.36 54.03 1f4h s GLN 245 Cb -0.16 -2.00 -0.05 0.00 1.00 0.00 0.00 33.01 31.80 1f4h s GLN 245 CO 0.05 0.46 0.06 0.00 -2.12 0.00 0.00 175.29 173.73 1f4h s MET 246 N -2.13 1.32 -0.03 2.91 0.23 -0.38 -0.98 119.30 120.23 1f4h s MET 246 Ca 0.16 -1.69 0.04 0.00 -1.03 0.00 0.00 55.69 53.17 1f4h s MET 246 Cb -0.10 -0.32 -0.01 0.00 -1.53 0.00 0.00 34.83 32.88 1f4h s MET 246 CO 0.08 -0.22 -0.15 0.00 -2.03 0.00 0.00 175.02 172.70 1f4h n GLY 248 N 2.98 0.39 3.63 0.00 0.00 -1.25 -0.04 105.19 110.91 1f4h n GLY 248 Ca -0.17 -2.28 -0.36 0.00 0.00 0.00 0.00 46.02 43.21 1f4h n GLY 248 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1f4h s GLU 249 N -0.32 4.00 -0.10 1.61 -1.05 -1.26 -5.01 118.70 116.57 1f4h s GLU 249 Ca 0.00 -0.31 -0.29 0.00 -0.15 0.00 0.00 54.97 54.22 1f4h s GLU 249 Cb 0.00 -3.42 -0.06 0.00 -0.44 0.00 0.00 34.13 30.21 1f4h s GLU 249 CO 0.00 0.10 2.01 -0.51 0.95 0.00 0.00 175.26 177.81 1f4h s LEU 250 N 0.91 3.98 -0.07 1.83 1.43 -1.26 -4.98 118.68 120.52 1f4h s LEU 250 Ca 0.06 2.22 0.04 0.00 -1.03 0.00 0.00 54.13 55.42 1f4h s LEU 250 Cb -0.13 -3.52 0.00 0.00 0.03 0.00 0.00 46.19 42.57 1f4h s LEU 250 CO 0.03 -1.42 -0.18 -0.13 0.23 0.00 0.00 176.35 174.87 1f4h s ARG 251 N 5.20 2.16 0.49 1.70 1.81 -1.26 -5.01 118.95 124.03 1f4h s ARG 251 Ca 0.90 -0.65 0.19 0.00 -1.72 0.00 0.00 55.73 54.45 1f4h s ARG 251 Cb -0.36 -1.76 1.03 0.00 -0.45 0.00 0.00 34.95 33.41 1f4h s ARG 251 CO 0.37 0.18 1.52 0.38 -0.68 0.00 0.00 175.30 177.07 1f4h h ASP 252 N 6.55 0.00 -0.51 0.23 2.03 -2.02 -0.38 116.42 122.32 1f4h h ASP 252 Ca -0.29 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.01 1f4h h ASP 252 Cb 1.19 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.69 1f4h h ASP 252 CO 0.47 0.00 0.00 0.00 -1.03 0.00 0.00 179.24 178.68 1f4h n TYR 253 N -2.42 0.76 -3.14 4.15 0.18 -1.26 -4.88 117.16 110.55 1f4h n TYR 253 Ca -0.01 -0.36 -0.39 0.00 1.88 0.00 0.00 57.90 59.02 1f4h n TYR 253 Cb 0.40 -0.03 -0.05 0.00 -0.38 0.00 0.00 39.34 39.27 1f4h n TYR 253 CO 0.00 0.00 0.00 -0.51 -2.08 0.00 0.00 176.86 174.27 1f4h s LEU 254 N -1.08 4.33 0.24 -3.48 1.43 -0.16 0.16 118.68 120.13 1f4h s LEU 254 Ca 0.35 1.10 0.03 0.00 -1.03 0.00 0.00 54.13 54.58 1f4h s LEU 254 Cb 0.19 -2.97 -0.05 0.00 0.03 0.00 0.00 46.19 43.39 1f4h s LEU 254 CO 0.23 -0.04 0.02 -0.13 0.23 0.00 0.00 176.35 176.65 1f4h s ARG 255 N 0.55 1.37 0.03 1.70 1.81 0.52 -4.24 118.95 120.70 1f4h s ARG 255 Ca 0.34 -1.71 0.03 0.00 -1.72 0.00 0.00 55.73 52.67 1f4h s ARG 255 Cb -0.17 -0.56 -0.02 0.00 -0.45 0.00 0.00 34.95 33.75 1f4h s ARG 255 CO 0.16 -0.14 -0.10 0.08 -0.68 0.00 0.00 175.30 174.62 1f4h s VAL 256 N -3.48 0.79 -0.02 3.52 1.01 0.40 -1.78 120.40 120.84 1f4h s VAL 256 Ca 0.31 -0.90 -0.00 0.00 0.00 0.00 0.00 61.98 61.38 1f4h s VAL 256 Cb 0.06 -0.76 0.03 0.00 0.00 0.00 0.00 36.38 35.72 1f4h s VAL 256 CO 0.10 -0.12 0.03 -0.89 0.00 0.00 0.00 175.10 174.22 1f4h s THR 257 N -0.92 -0.06 -0.19 3.92 2.01 -0.76 -0.55 115.64 119.09 1f4h s THR 257 Ca -0.02 0.22 0.01 0.00 0.31 0.00 0.00 61.69 62.21 1f4h s THR 257 Cb -0.08 -0.08 0.03 0.00 0.01 0.00 0.00 72.50 72.38 1f4h s THR 257 CO 0.01 0.09 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.17 1f4h s VAL 258 N 1.10 1.93 0.05 3.82 1.01 -0.11 -0.54 120.40 127.67 1f4h s VAL 258 Ca -0.09 -0.98 0.04 0.00 0.00 0.00 0.00 61.98 60.95 1f4h s VAL 258 Cb -0.13 -1.82 -0.04 0.00 0.00 0.00 0.00 36.38 34.39 1f4h s VAL 258 CO -0.03 0.41 -0.01 -0.94 0.00 0.00 0.00 175.10 174.53 1f4h s SER 259 N 1.32 4.98 -0.21 3.32 1.04 -0.32 -1.24 113.70 122.59 1f4h s SER 259 Ca 0.02 -0.12 0.02 0.00 0.48 0.00 0.00 55.95 56.35 1f4h s SER 259 Cb -0.14 -1.21 0.03 0.00 0.10 0.00 0.00 66.02 64.80 1f4h s SER 259 CO -0.11 0.22 -0.17 -0.22 0.98 0.00 0.00 173.24 173.95 1f4h s LEU 260 N -1.95 2.59 -0.02 2.42 2.96 0.32 -1.50 118.68 123.50 1f4h s LEU 260 Ca 0.22 -0.91 0.01 0.00 -0.22 0.00 0.00 54.13 53.24 1f4h s LEU 260 Cb -0.12 -1.51 -0.03 0.00 0.50 0.00 0.00 46.19 45.03 1f4h s LEU 260 CO 0.14 -0.07 -0.03 0.26 -1.32 0.00 0.00 176.35 175.33 1f4h s TRP 261 N 1.23 3.00 -0.47 5.38 0.52 -0.04 0.24 118.94 128.80 1f4h s TRP 261 Ca 0.00 0.05 0.04 0.00 0.02 0.00 0.00 56.10 56.21 1f4h s TRP 261 Cb -0.15 -1.67 0.12 0.00 -1.15 0.00 0.00 33.47 30.61 1f4h s TRP 261 CO -0.10 0.41 0.20 -1.14 0.02 0.00 0.00 176.95 176.34 1f4h s GLN 262 N -1.29 1.83 5.67 4.98 0.74 0.05 -0.26 119.66 131.40 1f4h s GLN 262 Ca 0.17 -2.39 0.00 0.00 0.05 0.00 0.00 55.36 53.18 1f4h s GLN 262 Cb -0.11 -3.29 0.00 0.00 1.10 0.00 0.00 33.01 30.70 1f4h s GLN 262 CO 0.07 -1.06 0.00 0.41 -0.55 0.00 0.00 175.29 174.16 1f4h n GLY 263 N 3.47 0.71 0.10 2.59 0.00 -1.26 -3.21 105.19 107.58 1f4h n GLY 263 Ca 0.05 -0.69 -0.13 0.00 0.00 0.00 0.00 46.02 45.24 1f4h n GLY 263 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1f4h h GLU 264 N 0.00 0.21 -6.23 1.61 4.39 -2.02 -3.45 114.58 109.09 1f4h h GLU 264 Ca 0.00 -0.34 -0.56 0.00 0.34 0.00 0.00 59.36 58.80 1f4h h GLU 264 Cb 0.00 0.12 -0.04 0.00 -0.10 0.00 0.00 28.75 28.73 1f4h h GLU 264 CO 0.00 1.14 0.64 0.99 -1.16 0.00 0.00 179.01 180.62 1f4h s THR 265 N -2.76 4.66 0.37 1.13 2.01 -1.20 -5.05 115.64 114.80 1f4h s THR 265 Ca -0.03 1.95 -0.26 0.00 0.31 0.00 0.00 61.69 63.66 1f4h s THR 265 Cb 0.08 -4.25 -0.09 0.00 0.01 0.00 0.00 72.50 68.25 1f4h s THR 265 CO 0.86 -0.03 1.14 -1.58 -0.69 0.00 0.00 174.62 174.32 1f4h s GLN 266 N 2.30 4.23 0.00 4.92 0.74 -1.26 -0.77 119.66 129.82 1f4h s GLN 266 Ca 0.49 1.79 0.00 0.00 0.05 0.00 0.00 55.36 57.69 1f4h s GLN 266 Cb -0.19 -2.79 0.00 0.00 1.10 0.00 0.00 33.01 31.13 1f4h s GLN 266 CO 0.16 -0.15 0.00 0.28 -0.55 0.00 0.00 175.29 175.03 1f4h n VAL 267 N 0.34 0.00 -3.58 1.34 0.31 0.67 -4.82 118.33 112.59 1f4h n VAL 267 Ca 0.03 0.00 -0.12 0.00 -0.01 0.00 0.00 64.34 64.24 1f4h n VAL 267 Cb 0.46 -0.50 -0.06 0.00 -0.91 0.00 0.00 33.84 32.83 1f4h n VAL 267 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1f4h s ALA 268 N -1.84 -1.90 0.04 3.52 0.00 -1.01 -4.98 121.76 115.59 1f4h s ALA 268 Ca 0.00 1.63 -0.07 0.00 0.00 0.00 0.00 51.96 53.52 1f4h s ALA 268 Cb 0.00 -0.77 -0.00 0.00 0.00 0.00 0.00 23.12 22.34 1f4h s ALA 268 CO 0.00 -0.31 0.14 0.45 0.00 0.00 0.00 175.76 176.04 1f4h s SER 269 N -0.71 0.12 -0.10 0.00 0.15 -1.26 0.12 113.70 112.02 1f4h s SER 269 Ca -0.02 -0.47 -0.08 0.00 0.70 0.00 0.00 55.95 56.08 1f4h s SER 269 Cb -0.02 0.25 0.03 0.00 -1.71 0.00 0.00 66.02 64.58 1f4h s SER 269 CO 0.01 -0.53 0.26 -0.83 1.20 0.00 0.00 173.24 173.35 1f4h s GLY 270 N -2.11 -0.18 -0.01 9.45 0.00 -0.37 -4.96 107.32 109.13 1f4h s GLY 270 Ca -0.05 0.82 0.03 0.00 0.00 0.00 0.00 44.72 45.52 1f4h s GLY 270 CO -0.04 0.82 -0.10 -1.59 0.00 0.00 0.00 173.10 172.19 1f4h s THR 271 N 0.48 0.84 0.16 0.90 2.01 -1.26 -0.93 115.64 117.84 1f4h s THR 271 Ca -0.03 -0.44 -0.23 0.00 0.31 0.00 0.00 61.69 61.30 1f4h s THR 271 Cb -0.04 -0.71 0.08 0.00 0.01 0.00 0.00 72.50 71.83 1f4h s THR 271 CO -0.02 0.24 1.05 0.00 -0.69 0.00 0.00 174.62 175.20 1f4h s ALA 272 N -0.17 -1.68 0.28 7.40 0.00 0.28 -4.97 121.76 122.91 1f4h s ALA 272 Ca 0.03 -0.18 0.12 0.00 0.00 0.00 0.00 51.96 51.92 1f4h s ALA 272 Cb -0.05 0.72 -0.05 0.00 0.00 0.00 0.00 23.12 23.75 1f4h s ALA 272 CO -0.00 -1.06 -0.20 -1.25 0.00 0.00 0.00 175.76 173.24 1f4h s PRO 273 N -2.38 1.68 0.58 0.00 0.04 -1.26 0.15 135.00 133.81 1f4h s PRO 273 Ca 0.20 -1.77 -0.20 0.00 0.04 0.00 0.00 61.00 59.27 1f4h s PRO 273 Cb -0.02 -1.77 -0.04 0.00 0.04 0.00 0.00 34.50 32.71 1f4h s PRO 273 CO 0.04 0.33 1.25 1.19 0.04 0.00 0.00 177.00 179.85 1f4h n PHE 274 N -0.61 1.86 0.00 0.56 3.01 -1.26 -4.89 117.46 116.13 1f4h n PHE 274 Ca -0.05 0.44 0.00 0.00 1.01 0.00 0.00 57.45 58.85 1f4h n PHE 274 Cb 0.60 -2.29 0.00 0.00 -0.01 0.00 0.00 39.48 37.78 1f4h n PHE 274 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1f4h n GLY 275 N 0.93 2.18 3.96 1.37 0.00 0.83 -4.94 105.19 109.52 1f4h n GLY 275 Ca 0.12 -0.89 -0.26 0.00 0.00 0.00 0.00 46.02 45.00 1f4h n GLY 275 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1f4h s GLY 276 N 0.00 1.76 0.78 -0.02 0.00 0.11 -4.87 107.32 105.07 1f4h s GLY 276 Ca 0.00 -1.42 -0.12 0.00 0.00 0.00 0.00 44.72 43.18 1f4h s GLY 276 CO 0.00 -0.83 1.13 -0.54 0.00 0.00 0.00 173.10 172.86 1f4h s GLU 277 N -5.37 2.02 0.28 2.90 8.01 -1.26 -4.54 118.70 120.74 1f4h s GLU 277 Ca 0.67 1.43 -0.30 0.00 0.01 0.00 0.00 54.97 56.78 1f4h s GLU 277 Cb -0.06 -1.85 -0.12 0.00 -4.31 0.00 0.00 34.13 27.79 1f4h s GLU 277 CO 0.47 -1.86 1.50 -0.89 0.01 0.00 0.00 175.26 174.48 1f4h n ILE 278 N -3.32 1.12 -0.06 -1.63 -0.00 -1.26 -4.22 119.36 109.98 1f4h n ILE 278 Ca 0.11 -0.28 -0.11 0.00 -0.00 0.00 0.00 62.75 62.47 1f4h n ILE 278 Cb 0.52 -1.76 -0.05 0.00 -0.00 0.00 0.00 39.64 38.35 1f4h n ILE 278 CO 0.00 0.00 0.00 2.30 -0.00 0.00 0.00 176.55 178.85 1f4h n ILE 279 N 1.83 0.71 -2.50 1.39 -5.35 0.14 -4.91 119.36 110.68 1f4h n ILE 279 Ca 0.09 -0.23 0.00 0.00 -0.27 0.00 0.00 62.75 62.34 1f4h n ILE 279 Cb 0.35 -1.23 0.00 0.00 -1.74 0.00 0.00 39.64 37.02 1f4h n ILE 279 CO 0.00 0.00 0.00 -0.90 -1.76 0.00 0.00 176.55 173.89 1f4h n ASP 280 N -3.15 0.00 0.30 7.28 3.85 -0.98 -4.96 116.55 118.89 1f4h n ASP 280 Ca -0.23 0.00 0.16 0.00 -0.71 0.00 0.00 54.79 54.00 1f4h n ASP 280 Cb 0.71 0.00 0.94 0.00 -1.35 0.00 0.00 41.12 41.42 1f4h n ASP 280 CO 0.00 0.00 0.00 -0.33 -1.01 0.00 0.00 177.20 175.86 1f4h h GLU 281 N 0.00 0.00 -0.02 0.11 3.07 -2.04 -2.58 114.58 113.11 1f4h h GLU 281 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1f4h h GLU 281 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 1f4h h GLU 281 CO 0.00 0.01 -0.12 0.54 -1.40 0.00 0.00 179.01 178.03 1f4h n ARG 282 N -3.76 1.69 0.00 2.33 5.12 -1.26 -5.10 116.66 115.69 1f4h n ARG 282 Ca -0.03 -1.45 0.00 0.00 -1.93 0.00 0.00 57.85 54.44 1f4h n ARG 282 Cb 0.09 -1.38 0.00 0.00 -1.16 0.00 0.00 32.46 30.01 1f4h n ARG 282 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1f4h n GLY 283 N 1.17 0.24 2.41 -0.13 0.00 -0.98 -5.00 105.19 102.90 1f4h n GLY 283 Ca 0.10 -1.92 -0.17 0.00 0.00 0.00 0.00 46.02 44.04 1f4h n GLY 283 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1f4h n GLY 284 N 0.00 3.39 3.63 -0.02 0.00 -1.26 0.28 105.19 111.21 1f4h n GLY 284 Ca 0.00 -1.98 -0.42 0.00 0.00 0.00 0.00 46.02 43.62 1f4h n GLY 284 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1f4h s TYR 285 N -2.77 3.26 0.14 1.61 1.51 -1.26 -4.86 117.35 114.97 1f4h s TYR 285 Ca 0.20 1.08 -0.04 0.00 -1.01 0.00 0.00 57.07 57.29 1f4h s TYR 285 Cb 0.01 -3.22 -0.05 0.00 -0.11 0.00 0.00 41.96 38.59 1f4h s TYR 285 CO 0.14 -0.51 1.34 0.00 -1.11 0.00 0.00 175.55 175.41 1f4h h ALA 286 N 7.85 0.43 -0.17 3.71 0.00 -1.93 0.31 119.26 129.46 1f4h h ALA 286 Ca -0.23 -0.67 0.00 0.00 0.00 0.00 0.00 54.91 54.02 1f4h h ALA 286 Cb 1.09 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1f4h h ALA 286 CO 0.91 0.79 0.00 -0.40 0.00 0.00 0.00 179.25 180.55 1f4h n ASP 287 N -3.79 2.00 -4.29 0.00 5.75 -1.26 -1.76 116.55 113.20 1f4h n ASP 287 Ca -0.06 -2.19 -0.16 0.00 -0.01 0.00 0.00 54.79 52.37 1f4h n ASP 287 Cb 0.79 -0.45 -0.10 0.00 -1.03 0.00 0.00 41.12 40.33 1f4h n ASP 287 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 1f4h s ARG 288 N -1.54 1.18 -0.04 0.11 0.52 -1.16 -1.25 118.95 116.76 1f4h s ARG 288 Ca 0.15 -1.51 -0.11 0.00 -0.52 0.00 0.00 55.73 53.74 1f4h s ARG 288 Cb 0.10 -0.84 0.02 0.00 0.52 0.00 0.00 34.95 34.75 1f4h s ARG 288 CO 0.06 0.12 0.24 0.54 0.02 0.00 0.00 175.30 176.28 1f4h s VAL 289 N -3.18 0.05 -0.07 3.52 0.11 0.13 -0.12 120.40 120.84 1f4h s VAL 289 Ca 0.19 -0.37 0.02 0.00 -2.93 0.00 0.00 61.98 58.89 1f4h s VAL 289 Cb 0.01 -0.47 0.01 0.00 -1.53 0.00 0.00 36.38 34.40 1f4h s VAL 289 CO 0.03 -0.21 -0.13 -0.89 -3.33 0.00 0.00 175.10 170.58 1f4h s THR 290 N -0.83 1.19 0.04 5.04 2.01 -1.26 0.66 115.64 122.49 1f4h s THR 290 Ca -0.09 -0.50 0.06 0.00 0.31 0.00 0.00 61.69 61.46 1f4h s THR 290 Cb -0.05 -1.08 -0.03 0.00 0.01 0.00 0.00 72.50 71.35 1f4h s THR 290 CO 0.02 0.37 -0.14 -0.76 -0.69 0.00 0.00 174.62 173.42 1f4h s LEU 291 N 0.69 2.80 -0.11 4.42 1.43 0.14 -4.90 118.68 123.14 1f4h s LEU 291 Ca -0.14 -0.35 -0.01 0.00 -1.03 0.00 0.00 54.13 52.61 1f4h s LEU 291 Cb -0.16 -1.63 0.03 0.00 0.03 0.00 0.00 46.19 44.46 1f4h s LEU 291 CO 0.04 0.26 -0.06 -0.13 0.23 0.00 0.00 176.35 176.68 1f4h s ARG 292 N -1.50 1.32 -0.08 1.70 0.52 -1.25 -0.37 118.95 119.27 1f4h s ARG 292 Ca 0.16 -0.20 0.00 0.00 -0.52 0.00 0.00 55.73 55.17 1f4h s ARG 292 Cb -0.11 -1.50 -0.03 0.00 0.52 0.00 0.00 34.95 33.84 1f4h s ARG 292 CO 0.07 -0.29 -0.08 -0.51 0.02 0.00 0.00 175.30 174.50 1f4h s LEU 293 N 1.76 3.08 -0.06 2.53 1.43 0.47 -4.97 118.68 122.93 1f4h s LEU 293 Ca 0.05 -0.08 -0.21 0.00 -1.03 0.00 0.00 54.13 52.85 1f4h s LEU 293 Cb -0.13 -1.68 -0.04 0.00 0.03 0.00 0.00 46.19 44.37 1f4h s LEU 293 CO -0.08 0.32 0.61 0.20 0.23 0.00 0.00 176.35 177.63 1f4h s ASN 294 N -0.54 6.91 -0.16 2.29 -0.87 -1.26 -1.74 114.94 119.56 1f4h s ASN 294 Ca 0.08 1.09 -0.00 0.00 -1.57 0.00 0.00 52.86 52.46 1f4h s ASN 294 Cb -0.12 -2.37 0.04 0.00 -0.02 0.00 0.00 41.25 38.79 1f4h s ASN 294 CO 0.02 -0.01 -0.06 -0.69 -2.57 0.00 0.00 177.10 173.78 1f4h s VAL 295 N 0.41 1.18 0.12 1.60 1.01 -0.76 -4.88 120.40 119.08 1f4h s VAL 295 Ca 0.32 -0.64 -0.25 0.00 0.00 0.00 0.00 61.98 61.42 1f4h s VAL 295 Cb -0.17 -1.32 -0.07 0.00 0.00 0.00 0.00 36.38 34.82 1f4h s VAL 295 CO 0.16 0.17 0.76 -1.61 0.00 0.00 0.00 175.10 174.58 1f4h s GLU 296 N 1.61 4.53 -0.40 2.72 0.41 -1.26 -0.60 118.70 125.70 1f4h s GLU 296 Ca 0.01 1.11 -0.18 0.00 -0.41 0.00 0.00 54.97 55.50 1f4h s GLU 296 Cb -0.15 -3.30 0.03 0.00 -1.78 0.00 0.00 34.13 28.93 1f4h s GLU 296 CO -0.08 0.47 0.45 0.09 -0.49 0.00 0.00 175.26 175.70 1f4h n ASN 297 N 2.02 -3.61 -4.81 -0.19 3.02 0.42 -4.87 115.26 107.24 1f4h n ASN 297 Ca -0.05 -0.31 -0.34 0.00 -0.03 0.00 0.00 54.58 53.86 1f4h n ASN 297 Cb 0.49 -1.10 -0.05 0.00 -0.61 0.00 0.00 39.78 38.51 1f4h n ASN 297 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1f4h s PRO 298 N -2.50 3.98 0.09 3.52 0.04 -1.26 -5.00 135.00 133.86 1f4h s PRO 298 Ca 0.18 1.25 -0.30 0.00 0.04 0.00 0.00 61.00 62.16 1f4h s PRO 298 Cb -0.02 -2.13 -0.06 0.00 0.04 0.00 0.00 34.50 32.33 1f4h s PRO 298 CO 0.61 -0.26 1.12 0.15 0.04 0.00 0.00 177.00 178.67 1f4h s LYS 299 N -3.24 4.51 0.21 4.56 1.02 -1.26 -4.97 119.74 120.57 1f4h s LYS 299 Ca 0.65 1.68 -0.07 0.00 0.02 0.00 0.00 55.97 58.26 1f4h s LYS 299 Cb -0.13 -3.35 -0.06 0.00 -0.52 0.00 0.00 37.83 33.77 1f4h s LYS 299 CO 0.17 -0.11 0.49 -0.51 -0.92 0.00 0.00 175.35 174.47 1f4h s LEU 300 N 0.59 4.18 -0.13 3.17 1.43 -1.26 -4.51 118.68 122.15 1f4h s LEU 300 Ca 0.54 0.75 -0.05 0.00 -1.03 0.00 0.00 54.13 54.34 1f4h s LEU 300 Cb -0.28 -3.51 -0.04 0.00 0.03 0.00 0.00 46.19 42.39 1f4h s LEU 300 CO 0.31 -0.06 0.05 0.86 0.23 0.00 0.00 176.35 177.74 1f4h s TRP 301 N -1.83 3.28 0.25 0.29 -0.00 0.16 -3.41 118.94 117.68 1f4h s TRP 301 Ca 0.44 0.20 -0.09 0.00 -0.00 0.00 0.00 56.10 56.65 1f4h s TRP 301 Cb -0.11 -1.94 0.03 0.00 -0.00 0.00 0.00 33.47 31.46 1f4h s TRP 301 CO 0.25 0.39 0.48 -1.13 -0.00 0.00 0.00 176.95 176.94 1f4h n SER 302 N 2.68 -1.41 0.04 5.86 3.41 0.09 -4.59 113.62 119.71 1f4h n SER 302 Ca -0.18 -2.03 -0.04 0.00 -0.26 0.00 0.00 58.87 56.35 1f4h n SER 302 Cb 0.53 2.36 -0.10 0.00 -0.26 0.00 0.00 64.21 66.75 1f4h n SER 302 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1f4h h ALA 303 N 1.98 0.62 -0.30 7.33 0.00 -1.93 -2.91 119.26 124.05 1f4h h ALA 303 Ca -0.21 -1.02 -0.08 0.00 0.00 0.00 0.00 54.91 53.60 1f4h h ALA 303 Cb 0.78 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 1f4h h ALA 303 CO 0.27 1.19 -0.13 0.93 0.00 0.00 0.00 179.25 181.51 1f4h h GLU 304 N 0.00 0.62 -2.72 0.00 5.08 -1.95 -3.43 114.58 112.18 1f4h h GLU 304 Ca -0.14 -0.27 -0.37 0.00 -1.00 0.00 0.00 59.36 57.59 1f4h h GLU 304 Cb 1.75 -0.02 -0.38 0.00 0.50 0.00 0.00 28.75 30.61 1f4h h GLU 304 CO 0.08 0.84 -0.67 0.42 -1.00 0.00 0.00 179.01 178.68 1f4h s ILE 305 N -4.63 -0.24 0.00 3.13 1.01 -1.24 -4.99 121.20 114.24 1f4h s ILE 305 Ca -0.13 -0.12 0.00 0.00 0.00 0.00 0.00 60.65 60.40 1f4h s ILE 305 Cb 0.08 -0.63 0.00 0.00 0.01 0.00 0.00 42.46 41.92 1f4h s ILE 305 CO 0.80 -0.22 1.45 -2.65 0.00 0.00 0.00 174.94 174.32 1f4h n PRO 306 N 5.31 0.82 -1.72 2.79 -0.02 -1.10 -0.73 135.00 140.34 1f4h n PRO 306 Ca -0.06 0.00 -0.60 0.00 -2.02 0.00 0.00 63.50 60.82 1f4h n PRO 306 Cb 0.49 -1.09 -0.08 0.00 -0.02 0.00 0.00 33.50 32.80 1f4h n PRO 306 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1f4h n ASN 307 N 1.36 2.08 -4.11 2.55 3.02 -1.22 -4.83 115.26 114.12 1f4h n ASN 307 Ca 0.00 1.10 -0.23 0.00 -0.03 0.00 0.00 54.58 55.42 1f4h n ASN 307 Cb 0.41 -1.07 -0.15 0.00 -0.61 0.00 0.00 39.78 38.36 1f4h n ASN 307 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1f4h s LEU 308 N 3.44 1.95 0.54 3.41 1.43 -1.26 -3.95 118.68 124.24 1f4h s LEU 308 Ca 1.00 -0.28 0.06 0.00 -1.03 0.00 0.00 54.13 53.88 1f4h s LEU 308 Cb -1.19 -0.79 0.04 0.00 0.03 0.00 0.00 46.19 44.28 1f4h s LEU 308 CO 0.70 0.16 0.45 -0.31 0.23 0.00 0.00 176.35 177.57 1f4h s TYR 309 N -0.14 1.64 -0.11 0.29 1.51 0.54 -4.81 117.35 116.26 1f4h s TYR 309 Ca 0.02 -0.82 0.01 0.00 -1.01 0.00 0.00 57.07 55.27 1f4h s TYR 309 Cb -0.08 -1.96 0.02 0.00 -0.11 0.00 0.00 41.96 39.83 1f4h s TYR 309 CO 0.00 -0.54 -0.15 0.50 -1.11 0.00 0.00 175.55 174.26 1f4h s ARG 310 N -4.32 2.18 -0.20 -0.62 3.52 0.65 0.12 118.95 120.28 1f4h s ARG 310 Ca 0.38 -0.54 -0.07 0.00 -0.13 0.00 0.00 55.73 55.37 1f4h s ARG 310 Cb -0.03 -1.89 -0.04 0.00 -1.56 0.00 0.00 34.95 31.44 1f4h s ARG 310 CO 0.23 -0.10 0.05 0.00 -0.81 0.00 0.00 175.30 174.67 1f4h s ALA 311 N 1.10 3.26 -0.13 6.12 0.00 -0.11 -0.86 121.76 131.13 1f4h s ALA 311 Ca -0.04 -0.88 0.01 0.00 0.00 0.00 0.00 51.96 51.05 1f4h s ALA 311 Cb -0.14 -1.91 -0.00 0.00 0.00 0.00 0.00 23.12 21.06 1f4h s ALA 311 CO -0.03 -0.03 -0.17 0.08 0.00 0.00 0.00 175.76 175.61 1f4h s VAL 312 N 0.77 2.58 -0.33 0.00 1.01 -0.56 -2.38 120.40 121.48 1f4h s VAL 312 Ca 0.03 -0.82 -0.04 0.00 0.00 0.00 0.00 61.98 61.15 1f4h s VAL 312 Cb -0.14 -2.06 0.05 0.00 0.00 0.00 0.00 36.38 34.24 1f4h s VAL 312 CO 0.02 0.53 0.08 -0.69 0.00 0.00 0.00 175.10 175.04 1f4h s VAL 313 N 0.56 3.42 -0.15 2.92 1.01 0.22 -1.18 120.40 127.20 1f4h s VAL 313 Ca -0.10 -1.36 -0.11 0.00 0.00 0.00 0.00 61.98 60.41 1f4h s VAL 313 Cb -0.16 -3.00 -0.05 0.00 0.00 0.00 0.00 36.38 33.17 1f4h s VAL 313 CO 0.04 -0.22 0.20 -1.61 0.00 0.00 0.00 175.10 173.51 1f4h s GLU 314 N 1.31 4.00 -0.37 2.72 2.02 0.30 0.30 118.70 128.98 1f4h s GLU 314 Ca -0.02 -0.05 -0.05 0.00 0.02 0.00 0.00 54.97 54.87 1f4h s GLU 314 Cb -0.20 -3.35 0.07 0.00 0.10 0.00 0.00 34.13 30.75 1f4h s GLU 314 CO 0.00 0.43 0.16 -1.17 0.02 0.00 0.00 175.26 174.70 1f4h s LEU 315 N -0.07 4.75 0.26 1.80 2.96 0.13 -1.83 118.68 126.69 1f4h s LEU 315 Ca 0.14 -1.55 0.02 0.00 -0.22 0.00 0.00 54.13 52.51 1f4h s LEU 315 Cb -0.12 -1.85 -0.05 0.00 0.50 0.00 0.00 46.19 44.66 1f4h s LEU 315 CO 0.02 -0.44 0.08 -1.38 -1.32 0.00 0.00 176.35 173.31 1f4h s HIS 316 N 1.29 1.59 0.73 5.38 -3.43 -0.73 -0.30 115.29 119.81 1f4h s HIS 316 Ca 0.02 -1.11 -0.08 0.00 -0.80 0.00 0.00 55.06 53.09 1f4h s HIS 316 Cb -0.22 -0.95 0.07 0.00 -1.43 0.00 0.00 32.58 30.05 1f4h s HIS 316 CO -0.01 -0.25 1.05 0.95 -2.00 0.00 0.00 174.74 174.49 1f4h s THR 317 N -3.65 2.22 0.03 -5.38 -4.23 -0.16 0.20 115.64 104.66 1f4h s THR 317 Ca 0.36 -0.22 0.30 0.00 -1.18 0.00 0.00 61.69 60.95 1f4h s THR 317 Cb 0.08 -2.99 0.36 0.00 1.34 0.00 0.00 72.50 71.28 1f4h s THR 317 CO 0.13 0.00 1.90 0.00 -0.54 0.00 0.00 174.62 176.11 1f4h h ALA 318 N -0.70 1.00 0.00 3.99 0.00 -0.61 -1.92 119.26 121.02 1f4h h ALA 318 Ca -0.45 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1f4h h ALA 318 Cb 1.32 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1f4h h ALA 318 CO 0.61 0.05 0.00 -0.40 0.00 0.00 0.00 179.25 179.51 1f4h n ASP 319 N -3.14 0.00 0.00 0.00 5.68 -1.26 -4.82 116.55 113.01 1f4h n ASP 319 Ca 0.01 -0.39 0.00 0.00 -0.50 0.00 0.00 54.79 53.91 1f4h n ASP 319 Cb 0.36 -0.14 0.00 0.00 -1.14 0.00 0.00 41.12 40.20 1f4h n ASP 319 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1f4h n GLY 320 N 0.58 0.66 3.63 6.12 0.00 -0.72 -5.03 105.19 110.43 1f4h n GLY 320 Ca 0.14 -0.52 -0.42 0.00 0.00 0.00 0.00 46.02 45.22 1f4h n GLY 320 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1f4h s THR 321 N -2.00 4.77 0.60 2.61 2.01 -1.24 -4.86 115.64 117.54 1f4h s THR 321 Ca 0.00 1.50 -0.17 0.00 0.31 0.00 0.00 61.69 63.33 1f4h s THR 321 Cb 0.00 -4.18 -0.03 0.00 0.01 0.00 0.00 72.50 68.31 1f4h s THR 321 CO 0.00 -0.18 1.11 -0.22 -0.69 0.00 0.00 174.62 174.64 1f4h s LEU 322 N 3.00 3.55 0.00 4.42 1.98 -1.26 -0.99 118.68 129.38 1f4h s LEU 322 Ca 0.36 2.04 0.00 0.00 -2.89 0.00 0.00 54.13 53.64 1f4h s LEU 322 Cb -0.15 -4.56 0.00 0.00 0.66 0.00 0.00 46.19 42.14 1f4h s LEU 322 CO 0.10 -1.40 0.00 -0.38 -1.89 0.00 0.00 176.35 172.77 1f4h n ILE 323 N -1.91 0.00 -3.52 6.68 5.41 0.59 -4.89 119.36 121.71 1f4h n ILE 323 Ca 0.11 0.00 -0.16 0.00 1.00 0.00 0.00 62.75 63.69 1f4h n ILE 323 Cb 0.52 -1.06 -0.05 0.00 -0.71 0.00 0.00 39.64 38.33 1f4h n ILE 323 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 176.55 174.72 1f4h s GLU 324 N -1.95 1.02 0.04 0.38 -1.05 -1.11 -4.85 118.70 111.17 1f4h s GLU 324 Ca 0.00 0.16 0.05 0.00 -0.15 0.00 0.00 54.97 55.03 1f4h s GLU 324 Cb 0.00 0.48 -0.02 0.00 -0.44 0.00 0.00 34.13 34.15 1f4h s GLU 324 CO 0.00 -0.34 -0.13 0.00 0.95 0.00 0.00 175.26 175.74 1f4h s ALA 325 N -1.48 1.10 0.19 -0.84 0.00 0.23 0.17 121.76 121.13 1f4h s ALA 325 Ca -0.08 -0.80 0.08 0.00 0.00 0.00 0.00 51.96 51.15 1f4h s ALA 325 Cb -0.00 -0.16 -0.04 0.00 0.00 0.00 0.00 23.12 22.91 1f4h s ALA 325 CO 0.06 0.20 -0.15 -1.21 0.00 0.00 0.00 175.76 174.66 1f4h s GLU 326 N -1.14 1.29 0.13 0.00 0.41 0.15 -2.59 118.70 116.94 1f4h s GLU 326 Ca 0.01 -1.52 -0.17 0.00 -0.41 0.00 0.00 54.97 52.88 1f4h s GLU 326 Cb -0.08 -1.15 0.04 0.00 -1.78 0.00 0.00 34.13 31.16 1f4h s GLU 326 CO 0.01 0.20 0.43 0.00 -0.49 0.00 0.00 175.26 175.41 1f4h s ALA 327 N -2.70 -1.00 0.12 5.21 0.00 -1.26 0.69 121.76 122.83 1f4h s ALA 327 Ca 0.20 -0.00 -0.17 0.00 0.00 0.00 0.00 51.96 51.98 1f4h s ALA 327 Cb -0.02 0.73 0.04 0.00 0.00 0.00 0.00 23.12 23.86 1f4h s ALA 327 CO 0.06 -0.67 0.43 0.00 0.00 0.00 0.00 175.76 175.59 1f4h s ASP 329 N -2.73 7.33 -0.08 0.00 1.01 -1.26 -0.93 116.67 120.01 1f4h s ASP 329 Ca 0.02 1.58 0.01 0.00 0.71 0.00 0.00 52.55 54.87 1f4h s ASP 329 Cb 0.01 -2.47 -0.03 0.00 1.01 0.00 0.00 42.92 41.44 1f4h s ASP 329 CO -0.11 0.22 -0.11 -0.69 0.21 0.00 0.00 175.17 174.69 1f4h s VAL 330 N -1.12 3.36 -0.20 -1.27 1.01 0.12 -4.76 120.40 117.55 1f4h s VAL 330 Ca 0.35 -0.59 0.01 0.00 0.00 0.00 0.00 61.98 61.74 1f4h s VAL 330 Cb -0.22 -2.37 0.04 0.00 0.00 0.00 0.00 36.38 33.83 1f4h s VAL 330 CO 0.25 0.57 -0.11 -0.83 0.00 0.00 0.00 175.10 174.99 1f4h s GLY 331 N -0.49 1.26 -0.78 4.51 0.00 -1.26 -0.34 107.32 110.22 1f4h s GLY 331 Ca 0.07 -1.20 -0.24 0.00 0.00 0.00 0.00 44.72 43.35 1f4h s GLY 331 CO 0.02 0.68 1.20 -1.36 0.00 0.00 0.00 173.10 173.64 1f4h s PHE 332 N 1.40 2.52 -0.09 1.90 0.40 -1.26 -4.82 117.98 118.02 1f4h s PHE 332 Ca -0.01 -0.47 -0.16 0.00 -0.60 0.00 0.00 56.93 55.69 1f4h s PHE 332 Cb -0.16 -4.51 0.04 0.00 0.51 0.00 0.00 43.02 38.90 1f4h s PHE 332 CO -0.08 -1.87 0.41 -0.98 0.70 0.00 0.00 175.22 173.39 1f4h s ARG 333 N 4.81 0.62 -0.16 0.44 1.04 -1.26 0.36 118.95 124.80 1f4h s ARG 333 Ca 0.33 0.26 0.01 0.00 -1.04 0.00 0.00 55.73 55.29 1f4h s ARG 333 Cb -0.09 0.29 0.01 0.00 -2.04 0.00 0.00 34.95 33.12 1f4h s ARG 333 CO 0.07 -0.13 -0.18 -2.00 -0.04 0.00 0.00 175.30 173.01 1f4h s GLU 334 N -0.50 3.09 -0.30 3.89 2.12 -1.26 -4.94 118.70 120.80 1f4h s GLU 334 Ca -0.06 -0.80 -0.03 0.00 0.36 0.00 0.00 54.97 54.43 1f4h s GLU 334 Cb -0.04 -2.57 0.04 0.00 0.26 0.00 0.00 34.13 31.83 1f4h s GLU 334 CO 0.03 -0.07 0.02 0.08 -0.54 0.00 0.00 175.26 174.77 1f4h s VAL 335 N 0.99 3.22 0.03 3.70 1.01 -1.26 0.89 120.40 128.98 1f4h s VAL 335 Ca -0.02 -1.20 0.01 0.00 0.00 0.00 0.00 61.98 60.76 1f4h s VAL 335 Cb -0.15 -2.79 -0.02 0.00 0.00 0.00 0.00 36.38 33.42 1f4h s VAL 335 CO -0.05 -0.05 -0.05 -0.13 0.00 0.00 0.00 175.10 174.83 1f4h s ARG 336 N 1.32 0.39 -0.52 2.72 0.52 -0.72 -4.61 118.95 118.04 1f4h s ARG 336 Ca -0.03 -0.67 -0.13 0.00 -0.52 0.00 0.00 55.73 54.38 1f4h s ARG 336 Cb -0.19 -0.01 0.13 0.00 0.52 0.00 0.00 34.95 35.40 1f4h s ARG 336 CO -0.01 -0.02 0.44 0.42 0.02 0.00 0.00 175.30 176.15 1f4h s ILE 337 N -1.49 4.76 -0.33 1.52 1.01 -1.26 -0.54 121.20 124.87 1f4h s ILE 337 Ca -0.14 -1.68 -0.05 0.00 0.00 0.00 0.00 60.65 58.79 1f4h s ILE 337 Cb -0.10 -4.08 0.04 0.00 0.01 0.00 0.00 42.46 38.34 1f4h s ILE 337 CO -0.01 -0.83 0.08 -0.70 0.00 0.00 0.00 174.94 173.47 1f4h s GLU 338 N 1.43 2.56 -1.01 2.79 2.12 0.70 -4.77 118.70 122.52 1f4h s GLU 338 Ca 0.05 -1.21 -0.00 0.00 0.36 0.00 0.00 54.97 54.16 1f4h s GLU 338 Cb -0.28 -3.38 -0.01 0.00 0.26 0.00 0.00 34.13 30.73 1f4h s GLU 338 CO 0.01 -0.66 0.84 -1.71 -0.54 0.00 0.00 175.26 173.20 1f4h n ASN 339 N 4.75 -2.39 0.00 -1.70 5.15 -1.26 -3.01 115.26 116.81 1f4h n ASN 339 Ca -0.13 -0.53 0.00 0.00 -0.60 0.00 0.00 54.58 53.32 1f4h n ASN 339 Cb 0.44 -4.44 0.00 0.00 -0.53 0.00 0.00 39.78 35.26 1f4h n ASN 339 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1f4h n GLY 340 N -1.12 2.97 3.66 8.20 0.00 -1.25 -5.02 105.19 112.63 1f4h n GLY 340 Ca -0.23 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.46 1f4h n GLY 340 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1f4h s LEU 341 N 0.00 3.44 -0.46 0.99 1.43 -1.16 -2.53 118.68 120.39 1f4h s LEU 341 Ca 0.00 -0.02 -0.17 0.00 -1.03 0.00 0.00 54.13 52.91 1f4h s LEU 341 Cb 0.00 -1.95 0.04 0.00 0.03 0.00 0.00 46.19 44.32 1f4h s LEU 341 CO 0.00 0.29 0.46 -0.22 0.23 0.00 0.00 176.35 177.12 1f4h s LEU 342 N -1.44 5.11 -0.13 1.79 2.96 -1.26 -0.21 118.68 125.49 1f4h s LEU 342 Ca 0.18 -0.92 -0.08 0.00 -0.22 0.00 0.00 54.13 53.09 1f4h s LEU 342 Cb -0.11 -2.33 -0.04 0.00 0.50 0.00 0.00 46.19 44.20 1f4h s LEU 342 CO 0.09 -0.67 0.14 -0.76 -1.32 0.00 0.00 176.35 173.83 1f4h s LEU 343 N 2.10 4.37 -0.14 -0.68 1.43 0.30 -2.54 118.68 123.52 1f4h s LEU 343 Ca 0.10 0.45 0.02 0.00 -1.03 0.00 0.00 54.13 53.67 1f4h s LEU 343 Cb -0.20 -2.08 0.00 0.00 0.03 0.00 0.00 46.19 43.94 1f4h s LEU 343 CO 0.11 0.38 -0.19 -0.22 0.23 0.00 0.00 176.35 176.66 1f4h s LEU 344 N -0.84 2.28 -1.39 1.79 2.96 0.49 -1.76 118.68 122.22 1f4h s LEU 344 Ca 0.14 -0.53 -0.13 0.00 -0.22 0.00 0.00 54.13 53.40 1f4h s LEU 344 Cb -0.12 -1.49 0.01 0.00 0.50 0.00 0.00 46.19 45.09 1f4h s LEU 344 CO 0.03 0.10 0.36 0.59 -1.32 0.00 0.00 176.35 176.11 1f4h n ASN 345 N 3.95 -1.38 0.00 3.68 3.02 0.26 -0.93 115.26 123.86 1f4h n ASN 345 Ca -0.19 -1.21 0.00 0.00 -0.03 0.00 0.00 54.58 53.14 1f4h n ASN 345 Cb 0.52 -2.04 0.00 0.00 -0.61 0.00 0.00 39.78 37.64 1f4h n ASN 345 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1f4h n GLY 346 N -2.25 2.68 3.81 7.41 0.00 -1.26 -4.97 105.19 110.62 1f4h n GLY 346 Ca -0.24 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.56 1f4h n GLY 346 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1f4h s LYS 347 N -0.02 2.72 -0.19 1.61 -0.14 -0.10 -5.00 119.74 118.61 1f4h s LYS 347 Ca 0.00 -1.26 -0.12 0.00 -1.36 0.00 0.00 55.97 53.23 1f4h s LYS 347 Cb 0.00 -2.45 -0.05 0.00 -1.68 0.00 0.00 37.83 33.66 1f4h s LYS 347 CO 0.00 0.21 0.21 -1.25 -0.76 0.00 0.00 175.35 173.76 1f4h s PRO 348 N -3.91 4.20 1.11 -1.68 0.04 -1.26 0.19 135.00 133.68 1f4h s PRO 348 Ca 0.37 -0.09 -0.13 0.00 0.04 0.00 0.00 61.00 61.19 1f4h s PRO 348 Cb -0.06 -3.45 0.25 0.00 0.04 0.00 0.00 34.50 31.28 1f4h s PRO 348 CO 0.25 0.22 1.06 -0.51 0.04 0.00 0.00 177.00 178.06 1f4h s LEU 349 N 0.57 1.05 -0.39 -3.56 1.43 -1.05 -4.92 118.68 111.80 1f4h s LEU 349 Ca 0.12 1.23 0.07 0.00 -1.03 0.00 0.00 54.13 54.52 1f4h s LEU 349 Cb -0.12 -3.23 0.18 0.00 0.03 0.00 0.00 46.19 43.05 1f4h s LEU 349 CO 0.02 -3.76 0.59 -0.22 0.23 0.00 0.00 176.35 173.20 1f4h s LEU 350 N -6.87 -1.33 -0.30 1.79 2.96 -1.26 -4.84 118.68 108.83 1f4h s LEU 350 Ca 0.67 -0.80 -0.29 0.00 -0.22 0.00 0.00 54.13 53.49 1f4h s LEU 350 Cb -0.20 1.77 -0.00 0.00 0.50 0.00 0.00 46.19 48.25 1f4h s LEU 350 CO 0.60 -0.20 1.38 -0.63 -1.32 0.00 0.00 176.35 176.19 1f4h s ILE 351 N 1.89 4.02 -1.11 6.68 -1.09 -0.63 -4.91 121.20 126.04 1f4h s ILE 351 Ca 0.16 1.14 -0.05 0.00 -2.23 0.00 0.00 60.65 59.66 1f4h s ILE 351 Cb -0.06 -4.07 0.29 0.00 -1.58 0.00 0.00 42.46 37.04 1f4h s ILE 351 CO -0.08 -0.47 1.51 0.54 -1.23 0.00 0.00 174.94 175.21 1f4h n ARG 352 N 7.48 4.30 -4.13 2.79 1.74 -1.26 -1.81 116.66 125.78 1f4h n ARG 352 Ca 0.16 -4.40 -0.26 0.00 -0.77 0.00 0.00 57.85 52.57 1f4h n ARG 352 Cb 0.46 -2.58 -0.05 0.00 -1.02 0.00 0.00 32.46 29.28 1f4h n ARG 352 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1f4h s GLY 353 N -1.17 2.46 0.06 -0.13 0.00 -0.64 0.10 107.32 107.99 1f4h s GLY 353 Ca 0.32 -1.52 -0.06 0.00 0.00 0.00 0.00 44.72 43.47 1f4h s GLY 353 CO 0.08 -1.96 0.10 0.54 0.00 0.00 0.00 173.10 171.86 1f4h s VAL 354 N -2.70 0.17 -0.07 1.40 0.11 -0.53 -0.87 120.40 117.91 1f4h s VAL 354 Ca 0.33 -1.36 -0.08 0.00 -2.93 0.00 0.00 61.98 57.94 1f4h s VAL 354 Cb 0.01 -1.30 -0.04 0.00 -1.53 0.00 0.00 36.38 33.52 1f4h s VAL 354 CO 0.19 -0.75 0.21 0.20 -3.33 0.00 0.00 175.10 171.62 1f4h s ASN 355 N -2.72 6.48 0.00 3.54 0.01 -0.30 -2.15 114.94 119.79 1f4h s ASN 355 Ca 0.03 0.56 0.01 0.00 -0.71 0.00 0.00 52.86 52.75 1f4h s ASN 355 Cb 0.05 -2.10 -0.01 0.00 0.41 0.00 0.00 41.25 39.60 1f4h s ASN 355 CO -0.09 0.36 -0.05 -0.60 -1.51 0.00 0.00 177.10 175.21 1f4h s ARG 356 N -1.24 0.39 0.16 -0.60 3.52 -1.11 -1.08 118.95 118.99 1f4h s ARG 356 Ca 0.20 -0.22 0.07 0.00 -0.13 0.00 0.00 55.73 55.65 1f4h s ARG 356 Cb -0.13 -0.36 -0.04 0.00 -1.56 0.00 0.00 34.95 32.86 1f4h s ARG 356 CO 0.09 0.10 -0.02 -1.01 -0.81 0.00 0.00 175.30 173.64 1f4h s HIS 357 N -0.22 2.83 -0.66 5.12 3.76 -1.26 -2.96 115.29 121.89 1f4h s HIS 357 Ca 0.01 -0.14 -0.27 0.00 -0.15 0.00 0.00 55.06 54.52 1f4h s HIS 357 Cb -0.02 -1.39 0.04 0.00 1.11 0.00 0.00 32.58 32.31 1f4h s HIS 357 CO -0.00 0.50 1.18 -1.21 -0.85 0.00 0.00 174.74 174.36 1f4h s GLU 358 N -2.77 3.30 -0.15 1.40 2.02 -1.26 -4.93 118.70 116.31 1f4h s GLU 358 Ca 0.26 -0.15 -0.06 0.00 0.02 0.00 0.00 54.97 55.04 1f4h s GLU 358 Cb -0.10 -4.12 0.07 0.00 0.10 0.00 0.00 34.13 30.08 1f4h s GLU 358 CO 0.18 -1.90 0.33 -1.58 0.02 0.00 0.00 175.26 172.30 1f4h s HIS 359 N 5.13 -0.54 -0.21 1.61 2.46 -1.26 -4.63 115.29 117.85 1f4h s HIS 359 Ca 0.36 1.15 0.01 0.00 0.47 0.00 0.00 55.06 57.04 1f4h s HIS 359 Cb -0.09 0.12 0.04 0.00 -0.13 0.00 0.00 32.58 32.52 1f4h s HIS 359 CO 0.18 -0.37 -0.10 -1.58 -2.47 0.00 0.00 174.74 170.40 1f4h s HIS 360 N 2.12 2.51 0.53 3.88 5.04 0.36 -5.01 115.29 124.71 1f4h s HIS 360 Ca -0.03 -1.68 0.42 0.00 -1.54 0.00 0.00 55.06 52.24 1f4h s HIS 360 Cb -0.11 -1.67 1.62 0.00 0.04 0.00 0.00 32.58 32.45 1f4h s HIS 360 CO -0.10 -0.76 1.64 -1.00 -2.34 0.00 0.00 174.74 172.18 1f4h h PRO 361 N 7.95 0.03 0.00 2.88 0.13 -1.79 0.35 132.00 141.55 1f4h h PRO 361 Ca -0.27 -0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 64.54 1f4h h PRO 361 Cb 1.09 -0.01 -0.05 0.00 0.13 0.00 0.00 31.00 32.16 1f4h h PRO 361 CO 0.47 0.02 -2.13 1.28 -0.23 0.00 0.00 178.00 177.41 1f4h n LEU 362 N -4.17 2.03 0.00 1.56 4.77 -1.26 -2.79 117.00 117.13 1f4h n LEU 362 Ca 0.38 0.12 0.15 0.00 -0.03 0.00 0.00 56.01 56.63 1f4h n LEU 362 Cb 1.69 -0.63 0.91 0.00 -2.33 0.00 0.00 43.42 43.06 1f4h n LEU 362 CO 0.38 0.58 1.07 1.41 -1.33 0.00 0.00 177.39 179.50 1f4h n HIS 363 N -3.60 0.00 0.00 -1.77 8.25 -1.10 -4.97 115.22 112.04 1f4h n HIS 363 Ca -0.38 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.08 1f4h n HIS 363 Cb 0.82 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.93 1f4h n HIS 363 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1f4h n GLY 364 N 0.92 1.71 0.55 -1.41 0.00 0.12 -3.26 105.19 103.83 1f4h n GLY 364 Ca 0.23 -0.07 0.08 0.00 0.00 0.00 0.00 46.02 46.26 1f4h n GLY 364 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1f4h n GLN 365 N 1.43 2.08 -3.27 1.61 6.02 -1.26 -0.49 117.38 123.50 1f4h n GLN 365 Ca 0.00 -2.78 -0.39 0.00 -0.01 0.00 0.00 57.00 53.82 1f4h n GLN 365 Cb 0.00 -1.69 -0.06 0.00 1.02 0.00 0.00 30.24 29.51 1f4h n GLN 365 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1f4h s VAL 366 N -2.91 5.15 0.19 5.09 1.01 -1.20 -4.88 120.40 122.85 1f4h s VAL 366 Ca 0.38 0.97 0.06 0.00 0.00 0.00 0.00 61.98 63.39 1f4h s VAL 366 Cb 0.32 -3.84 -0.04 0.00 0.00 0.00 0.00 36.38 32.83 1f4h s VAL 366 CO 0.05 0.26 0.11 -0.04 0.00 0.00 0.00 175.10 175.48 1f4h s MET 367 N 1.08 2.77 0.20 2.72 -1.94 -1.26 -4.75 119.30 118.11 1f4h s MET 367 Ca 0.26 -0.98 0.07 0.00 -1.71 0.00 0.00 55.69 53.33 1f4h s MET 367 Cb -0.15 -2.55 -0.05 0.00 2.01 0.00 0.00 34.83 34.09 1f4h s MET 367 CO 0.10 0.46 -0.13 0.16 -0.01 0.00 0.00 175.02 175.60 1f4h s ASP 368 N -3.23 2.46 0.42 3.03 1.47 -1.26 -5.04 116.67 114.52 1f4h s ASP 368 Ca 0.31 -1.03 0.14 0.00 1.18 0.00 0.00 52.55 53.14 1f4h s ASP 368 Cb -0.09 -0.12 0.90 0.00 -0.34 0.00 0.00 42.92 43.26 1f4h s ASP 368 CO 0.22 -0.20 1.93 -0.08 0.68 0.00 0.00 175.17 177.72 1f4h h GLU 369 N 2.58 0.01 -0.16 2.11 4.81 -1.99 -2.15 114.58 119.78 1f4h h GLU 369 Ca -0.38 -0.00 -0.15 0.00 -0.13 0.00 0.00 59.36 58.70 1f4h h GLU 369 Cb 1.22 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.59 1f4h h GLU 369 CO 0.62 0.25 -0.54 1.96 -0.73 0.00 0.00 179.01 180.58 1f4h h GLN 370 N 0.01 0.47 -0.14 1.92 1.08 -1.99 -1.48 115.11 114.97 1f4h h GLN 370 Ca -0.00 -0.29 -0.08 0.00 -1.45 0.00 0.00 58.65 56.83 1f4h h GLN 370 Cb 0.44 0.03 -0.00 0.00 -0.05 0.00 0.00 27.48 27.90 1f4h h GLN 370 CO 0.03 0.89 -0.24 1.15 -0.95 0.00 0.00 178.83 179.71 1f4h h THR 371 N 0.36 1.36 -0.39 -0.54 2.02 -1.91 -1.63 112.91 112.19 1f4h h THR 371 Ca 0.01 -1.48 0.08 0.00 0.77 0.00 0.00 66.41 65.79 1f4h h THR 371 Cb 1.06 1.97 -0.08 0.00 -1.74 0.00 0.00 68.15 69.37 1f4h h THR 371 CO 0.10 0.44 -0.11 0.24 0.37 0.00 0.00 175.52 176.55 1f4h h MET 372 N 0.03 -0.02 0.21 6.66 2.86 -1.35 -0.90 114.93 122.42 1f4h h MET 372 Ca 0.01 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.65 1f4h h MET 372 Cb 0.82 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.47 1f4h h MET 372 CO 0.05 -0.01 -0.17 0.28 1.06 0.00 0.00 176.91 178.12 1f4h h VAL 373 N -0.02 0.63 -0.41 -2.22 2.07 -1.20 -1.50 116.25 113.59 1f4h h VAL 373 Ca 0.19 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.76 1f4h h VAL 373 Cb 0.31 0.63 -0.08 0.00 -1.52 0.00 0.00 31.29 30.64 1f4h h VAL 373 CO -0.42 0.00 -0.50 -0.61 0.02 0.00 0.00 177.57 176.07 1f4h h GLN 374 N -0.39 -0.30 -0.63 1.57 4.15 -0.74 0.17 115.11 118.93 1f4h h GLN 374 Ca -0.01 0.02 0.12 0.00 0.77 0.00 0.00 58.65 59.55 1f4h h GLN 374 Cb 0.35 0.07 -0.12 0.00 0.21 0.00 0.00 27.48 27.99 1f4h h GLN 374 CO -0.02 -0.20 -0.29 -0.44 -1.93 0.00 0.00 178.83 175.95 1f4h h ASP 375 N -0.32 -1.01 0.03 -0.69 3.32 -0.82 0.15 116.42 117.08 1f4h h ASP 375 Ca 0.07 0.22 0.02 0.00 0.02 0.00 0.00 57.03 57.36 1f4h h ASP 375 Cb 0.51 0.54 -0.02 0.00 0.22 0.00 0.00 39.33 40.57 1f4h h ASP 375 CO -0.56 -0.28 -0.12 0.40 -1.72 0.00 0.00 179.24 176.96 1f4h h ILE 376 N -0.11 0.72 -0.78 0.35 2.04 -0.08 -1.26 117.51 118.39 1f4h h ILE 376 Ca 0.27 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.23 1f4h h ILE 376 Cb 0.54 0.72 -0.05 0.00 -0.74 0.00 0.00 36.82 37.29 1f4h h ILE 376 CO -0.70 0.00 0.51 -0.07 0.00 0.00 0.00 178.15 177.89 1f4h h LEU 377 N -0.21 0.63 -0.59 1.44 3.38 0.53 0.44 115.31 120.92 1f4h h LEU 377 Ca 0.03 0.02 -0.15 0.00 0.09 0.00 0.00 57.88 57.87 1f4h h LEU 377 Cb 0.25 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 1f4h h LEU 377 CO -0.09 0.37 -0.51 -0.07 0.09 0.00 0.00 178.44 178.23 1f4h h LEU 378 N 0.70 0.56 -0.04 1.67 3.38 -0.00 -1.00 115.31 120.57 1f4h h LEU 378 Ca 0.36 -0.28 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 1f4h h LEU 378 Cb 0.47 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.06 1f4h h LEU 378 CO -0.14 0.97 -0.01 0.24 0.09 0.00 0.00 178.44 179.60 1f4h h MET 379 N 0.40 0.07 -0.87 1.13 2.86 -0.04 -0.21 114.93 118.28 1f4h h MET 379 Ca 0.01 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.62 1f4h h MET 379 Cb 1.04 -0.01 -0.04 0.00 0.06 0.00 0.00 31.60 32.65 1f4h h MET 379 CO 0.09 0.40 0.52 0.87 1.06 0.00 0.00 176.91 179.85 1f4h h LYS 380 N -0.26 1.17 -0.22 1.72 1.57 -0.11 -0.21 116.57 120.24 1f4h h LYS 380 Ca 0.01 -0.11 -0.05 0.00 -1.87 0.00 0.00 60.65 58.63 1f4h h LYS 380 Cb 0.37 -0.25 -0.01 0.00 0.08 0.00 0.00 32.23 32.42 1f4h h LYS 380 CO 0.00 0.82 -0.10 1.96 -0.57 0.00 0.00 179.45 181.57 1f4h h GLN 381 N 1.19 0.35 -0.87 3.15 4.20 -0.96 -1.69 115.11 120.48 1f4h h GLN 381 Ca 0.31 -0.08 -0.19 0.00 0.06 0.00 0.00 58.65 58.75 1f4h h GLN 381 Cb -0.05 -0.05 -0.11 0.00 0.30 0.00 0.00 27.48 27.57 1f4h h GLN 381 CO -0.06 0.46 0.24 0.09 -0.67 0.00 0.00 178.83 178.89 1f4h n ASN 382 N -4.26 3.86 -0.72 1.46 3.02 -0.11 -4.90 115.26 113.61 1f4h n ASN 382 Ca 0.00 -2.88 -0.09 0.00 -0.03 0.00 0.00 54.58 51.57 1f4h n ASN 382 Cb 0.27 -0.68 -0.04 0.00 -0.61 0.00 0.00 39.78 38.72 1f4h n ASN 382 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1f4h n ASN 383 N -0.13 -4.11 -4.87 6.41 3.02 -0.64 -3.98 115.26 110.96 1f4h n ASN 383 Ca 0.31 0.23 -0.31 0.00 -0.03 0.00 0.00 54.58 54.77 1f4h n ASN 383 Cb 1.12 -2.45 -0.05 0.00 -0.61 0.00 0.00 39.78 37.79 1f4h n ASN 383 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1f4h s PHE 384 N -2.35 3.42 -0.00 3.10 0.40 -0.25 -4.80 117.98 117.50 1f4h s PHE 384 Ca 0.00 0.99 0.00 0.00 -0.60 0.00 0.00 56.93 57.32 1f4h s PHE 384 Cb 0.00 -2.37 -0.00 0.00 0.51 0.00 0.00 43.02 41.16 1f4h s PHE 384 CO 0.00 0.13 -0.00 -1.71 0.70 0.00 0.00 175.22 174.34 1f4h n ASN 385 N -0.51 4.49 -3.86 1.36 4.05 0.11 -4.34 115.26 116.56 1f4h n ASN 385 Ca 0.02 -0.00 -0.09 0.00 0.45 0.00 0.00 54.58 54.95 1f4h n ASN 385 Cb 0.53 0.26 -0.08 0.00 1.23 0.00 0.00 39.78 41.72 1f4h n ASN 385 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1f4h s ALA 386 N -2.00 -0.24 0.01 5.20 0.00 -1.10 -1.33 121.76 122.30 1f4h s ALA 386 Ca -0.00 -0.50 0.01 0.00 0.00 0.00 0.00 51.96 51.46 1f4h s ALA 386 Cb 0.00 0.38 -0.01 0.00 0.00 0.00 0.00 23.12 23.49 1f4h s ALA 386 CO 0.00 -0.43 -0.03 0.54 0.00 0.00 0.00 175.76 175.84 1f4h s VAL 387 N -3.28 0.19 -0.18 0.00 0.11 0.52 -1.46 120.40 116.30 1f4h s VAL 387 Ca 0.00 -0.45 -0.04 0.00 -2.93 0.00 0.00 61.98 58.57 1f4h s VAL 387 Cb 0.02 -0.23 -0.02 0.00 -1.53 0.00 0.00 36.38 34.62 1f4h s VAL 387 CO -0.08 -0.17 -0.03 -0.60 -3.33 0.00 0.00 175.10 170.90 1f4h s ARG 388 N -0.65 3.60 -1.02 1.54 3.52 -0.91 -1.39 118.95 123.63 1f4h s ARG 388 Ca -0.05 -0.54 -0.20 0.00 -0.13 0.00 0.00 55.73 54.80 1f4h s ARG 388 Cb -0.05 -2.99 -0.09 0.00 -1.56 0.00 0.00 34.95 30.27 1f4h s ARG 388 CO -0.00 0.08 1.97 0.00 -0.81 0.00 0.00 175.30 176.54 1f4h s SER 390 N 4.83 6.84 -0.42 0.00 1.04 -1.16 -1.66 113.70 123.16 1f4h s SER 390 Ca 0.57 2.04 0.10 0.00 0.48 0.00 0.00 55.95 59.14 1f4h s SER 390 Cb 0.11 -2.55 0.35 0.00 0.10 0.00 0.00 66.02 64.03 1f4h s SER 390 CO 0.08 -0.77 0.80 1.41 0.98 0.00 0.00 173.24 175.73 1f4h n HIS 391 N 6.04 1.23 -3.61 5.02 -0.00 -1.26 -4.24 115.22 118.40 1f4h n HIS 391 Ca 0.14 -3.82 -0.00 0.00 -0.00 0.00 0.00 57.72 54.04 1f4h n HIS 391 Cb 0.44 -0.43 -0.01 0.00 -0.00 0.00 0.00 29.99 29.98 1f4h n HIS 391 CO 0.00 0.00 0.00 1.52 -0.00 0.00 0.00 176.34 177.86 1f4h s TYR 392 N -2.73 -0.03 0.39 4.41 -0.85 -0.67 -4.22 117.35 113.64 1f4h s TYR 392 Ca 0.42 0.01 -0.27 0.00 -0.52 0.00 0.00 57.07 56.71 1f4h s TYR 392 Cb 0.34 0.51 -0.09 0.00 0.38 0.00 0.00 41.96 43.09 1f4h s TYR 392 CO -0.09 -0.08 1.33 -2.14 -1.52 0.00 0.00 175.55 173.04 1f4h s PRO 393 N -2.15 4.06 0.56 -3.49 0.02 -0.66 -4.63 135.00 128.71 1f4h s PRO 393 Ca 0.13 2.22 0.08 0.00 0.02 0.00 0.00 61.00 63.44 1f4h s PRO 393 Cb 0.02 -2.85 0.07 0.00 0.02 0.00 0.00 34.50 31.77 1f4h s PRO 393 CO -0.04 -0.44 0.76 -0.80 -0.33 0.00 0.00 177.00 176.16 1f4h s ASN 394 N -0.61 5.15 0.29 2.53 0.02 -1.26 -4.81 114.94 116.24 1f4h s ASN 394 Ca 0.55 -0.65 -0.30 0.00 -1.02 0.00 0.00 52.86 51.43 1f4h s ASN 394 Cb -0.39 -0.01 -0.12 0.00 0.02 0.00 0.00 41.25 40.74 1f4h s ASN 394 CO 0.52 -1.26 1.55 1.57 0.02 0.00 0.00 177.10 179.49 1f4h n HIS 395 N -2.23 2.71 0.05 2.20 -0.00 -1.26 -4.83 115.22 111.86 1f4h n HIS 395 Ca 0.13 0.30 0.18 0.00 -0.00 0.00 0.00 57.72 58.34 1f4h n HIS 395 Cb 0.61 -2.56 0.69 0.00 -0.00 0.00 0.00 29.99 28.73 1f4h n HIS 395 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 1f4h h PRO 396 N 4.58 0.00 -0.52 1.57 0.11 -1.96 -0.61 132.00 135.16 1f4h h PRO 396 Ca -0.47 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.59 1f4h h PRO 396 Cb 1.24 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.32 1f4h h PRO 396 CO 0.78 0.00 0.09 1.25 -0.21 0.00 0.00 178.00 179.91 1f4h h LEU 397 N 0.00 0.76 -0.96 2.35 5.85 -2.01 -2.59 115.31 118.71 1f4h h LEU 397 Ca 0.21 -0.15 0.28 0.00 0.84 0.00 0.00 57.88 59.06 1f4h h LEU 397 Cb 0.85 -0.20 -0.14 0.00 0.37 0.00 0.00 40.66 41.54 1f4h h LEU 397 CO -0.00 0.77 0.45 -0.25 -0.34 0.00 0.00 178.44 179.07 1f4h h TRP 398 N 0.77 0.73 -0.61 1.25 2.91 -1.45 0.22 115.95 119.78 1f4h h TRP 398 Ca 0.16 0.04 -0.06 0.00 1.13 0.00 0.00 58.89 60.17 1f4h h TRP 398 Cb 0.34 -0.17 -0.03 0.00 -0.51 0.00 0.00 29.16 28.80 1f4h h TRP 398 CO 0.02 -0.17 0.15 1.88 -1.03 0.00 0.00 178.44 179.29 1f4h h TYR 399 N 0.30 0.98 -0.21 2.65 -1.99 -1.61 -2.71 116.97 114.39 1f4h h TYR 399 Ca 0.66 -0.10 -0.10 0.00 2.00 0.00 0.00 58.73 61.19 1f4h h TYR 399 Cb 1.44 -0.28 -0.01 0.00 2.00 0.00 0.00 36.73 39.87 1f4h h TYR 399 CO -0.10 0.81 -0.29 1.15 -0.00 0.00 0.00 178.16 179.73 1f4h h THR 400 N 0.91 1.27 -0.13 -2.88 2.02 -0.67 0.23 112.91 113.67 1f4h h THR 400 Ca 0.20 -1.32 -0.18 0.00 0.77 0.00 0.00 66.41 65.88 1f4h h THR 400 Cb 0.32 1.44 -0.00 0.00 -1.74 0.00 0.00 68.15 68.16 1f4h h THR 400 CO -0.00 0.41 -0.66 -0.07 0.37 0.00 0.00 175.52 175.57 1f4h h LEU 401 N 0.36 0.58 -0.44 2.58 3.38 -1.20 -2.33 115.31 118.24 1f4h h LEU 401 Ca 0.05 -0.35 -0.10 0.00 0.09 0.00 0.00 57.88 57.57 1f4h h LEU 401 Cb 0.70 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 1f4h h LEU 401 CO 0.05 1.08 -0.13 0.00 0.09 0.00 0.00 178.44 179.54 1f4h h ASP 403 N 0.70 0.67 0.16 0.00 3.32 -0.45 -0.95 116.42 119.87 1f4h h ASP 403 Ca 0.11 0.04 -0.35 0.00 0.02 0.00 0.00 57.03 56.85 1f4h h ASP 403 Cb 0.68 -0.09 -0.00 0.00 0.22 0.00 0.00 39.33 40.13 1f4h h ASP 403 CO 0.05 0.40 -1.84 0.03 -1.72 0.00 0.00 179.24 176.16 1f4h h ARG 404 N 0.80 0.33 0.13 3.56 3.08 -1.00 -3.38 114.38 117.90 1f4h h ARG 404 Ca 0.38 -0.57 -0.29 0.00 0.07 0.00 0.00 59.98 59.57 1f4h h ARG 404 Cb 0.31 0.21 0.02 0.00 0.08 0.00 0.00 29.97 30.59 1f4h h ARG 404 CO -0.23 1.27 -1.24 1.88 -1.07 0.00 0.00 179.97 180.58 1f4h h TYR 405 N 0.06 0.83 0.00 3.04 -1.99 0.28 -3.46 116.97 115.73 1f4h h TYR 405 Ca -0.38 -0.54 0.00 0.00 2.00 0.00 0.00 58.73 59.81 1f4h h TYR 405 Cb 2.05 -0.06 0.00 0.00 2.00 0.00 0.00 36.73 40.72 1f4h h TYR 405 CO 0.09 1.40 0.00 0.41 -0.00 0.00 0.00 178.16 180.06 1f4h n GLY 406 N 1.40 0.97 3.59 3.88 0.00 -0.41 -4.86 105.19 109.78 1f4h n GLY 406 Ca -0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.59 1f4h n GLY 406 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1f4h s LEU 407 N 0.00 3.12 -0.19 0.99 1.43 -0.92 -4.42 118.68 118.69 1f4h s LEU 407 Ca 0.00 -0.28 -0.17 0.00 -1.03 0.00 0.00 54.13 52.65 1f4h s LEU 407 Cb 0.00 -1.87 -0.04 0.00 0.03 0.00 0.00 46.19 44.31 1f4h s LEU 407 CO 0.00 0.21 0.45 -0.31 0.23 0.00 0.00 176.35 176.94 1f4h s TYR 408 N -1.15 3.38 -0.10 0.29 4.12 -0.44 -4.69 117.35 118.77 1f4h s TYR 408 Ca 0.20 0.70 -0.02 0.00 0.02 0.00 0.00 57.07 57.98 1f4h s TYR 408 Cb -0.11 -2.59 -0.03 0.00 -1.52 0.00 0.00 41.96 37.71 1f4h s TYR 408 CO 0.12 -0.03 -0.02 0.08 0.02 0.00 0.00 175.55 175.72 1f4h s VAL 409 N 1.39 4.12 -0.35 0.71 1.01 0.65 -0.36 120.40 127.57 1f4h s VAL 409 Ca 0.22 -0.31 -0.14 0.00 0.00 0.00 0.00 61.98 61.75 1f4h s VAL 409 Cb -0.15 -2.74 -0.01 0.00 0.00 0.00 0.00 36.38 33.48 1f4h s VAL 409 CO 0.09 0.58 0.28 -0.69 0.00 0.00 0.00 175.10 175.36 1f4h s VAL 410 N -0.60 5.25 -0.07 2.92 1.01 -0.49 -1.50 120.40 126.93 1f4h s VAL 410 Ca 0.10 -0.20 -0.21 0.00 0.00 0.00 0.00 61.98 61.66 1f4h s VAL 410 Cb -0.12 -3.77 -0.04 0.00 0.00 0.00 0.00 36.38 32.45 1f4h s VAL 410 CO 0.02 -0.07 0.61 -0.62 0.00 0.00 0.00 175.10 175.04 1f4h s ASP 411 N 1.72 6.90 -0.00 3.32 2.15 -0.26 -1.37 116.67 129.14 1f4h s ASP 411 Ca 0.07 1.07 0.03 0.00 0.43 0.00 0.00 52.55 54.15 1f4h s ASP 411 Cb -0.17 -2.36 -0.01 0.00 -0.30 0.00 0.00 42.92 40.07 1f4h s ASP 411 CO 0.11 -0.03 -0.09 -0.70 -0.17 0.00 0.00 175.17 174.29 1f4h s GLU 412 N 0.51 0.68 0.43 4.34 2.12 -1.26 -0.33 118.70 125.18 1f4h s GLU 412 Ca 0.33 -0.35 -0.24 0.00 0.36 0.00 0.00 54.97 55.07 1f4h s GLU 412 Cb -0.17 -0.64 -0.08 0.00 0.26 0.00 0.00 34.13 33.50 1f4h s GLU 412 CO 0.16 0.17 1.14 0.00 -0.54 0.00 0.00 175.26 176.19 1f4h s ALA 413 N -0.31 3.04 -1.38 6.30 0.00 -1.07 -1.66 121.76 126.68 1f4h s ALA 413 Ca 0.02 0.89 -0.14 0.00 0.00 0.00 0.00 51.96 52.73 1f4h s ALA 413 Cb -0.04 -3.36 -0.01 0.00 0.00 0.00 0.00 23.12 19.72 1f4h s ALA 413 CO -0.00 -0.53 2.29 -1.71 0.00 0.00 0.00 175.76 175.82 1f4h n ASN 414 N -0.27 4.42 -3.54 0.00 5.15 -1.26 -4.03 115.26 115.73 1f4h n ASN 414 Ca 0.06 -2.77 -0.22 0.00 -0.60 0.00 0.00 54.58 51.05 1f4h n ASN 414 Cb 0.48 -1.56 -0.15 0.00 -0.53 0.00 0.00 39.78 38.02 1f4h n ASN 414 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1f4h s ILE 415 N 3.29 -0.21 -0.19 -1.44 1.01 -1.25 -4.74 121.20 117.67 1f4h s ILE 415 Ca 0.51 -0.21 -0.04 0.00 0.00 0.00 0.00 60.65 60.91 1f4h s ILE 415 Cb 0.15 -0.68 0.10 0.00 0.01 0.00 0.00 42.46 42.04 1f4h s ILE 415 CO -0.06 -0.30 0.30 -0.70 0.00 0.00 0.00 174.94 174.18 1f4h s GLU 416 N 2.23 0.23 -0.32 2.79 2.12 0.11 -1.66 118.70 124.20 1f4h s GLU 416 Ca 0.05 0.55 0.07 0.00 0.36 0.00 0.00 54.97 56.00 1f4h s GLU 416 Cb -0.16 -0.49 0.46 0.00 0.26 0.00 0.00 34.13 34.20 1f4h s GLU 416 CO -0.14 -0.50 1.28 0.25 -0.54 0.00 0.00 175.26 175.61 1f4h n THR 417 N 5.35 2.60 -0.30 -1.70 -2.24 -1.23 0.13 114.28 116.89 1f4h n THR 417 Ca -0.05 -3.95 0.08 0.00 -2.27 0.00 0.00 64.05 57.85 1f4h n THR 417 Cb 0.50 -1.02 0.20 0.00 -2.10 0.00 0.00 70.33 67.90 1f4h n THR 417 CO 0.00 0.00 0.00 -0.74 -0.57 0.00 0.00 175.07 173.76 1f4h h HIS 418 N 2.00 -0.11 0.00 4.78 6.17 -1.58 -1.78 115.15 124.62 1f4h h HIS 418 Ca 0.35 0.07 0.00 0.00 0.71 0.00 0.00 60.37 61.50 1f4h h HIS 418 Cb 1.43 0.19 0.00 0.00 2.52 0.00 0.00 27.41 31.55 1f4h h HIS 418 CO 0.90 -0.33 0.00 0.41 0.71 0.00 0.00 177.93 179.63 1f4h n GLY 419 N -1.47 -0.32 3.91 5.26 0.00 -1.23 -4.80 105.19 106.53 1f4h n GLY 419 Ca 0.17 -0.04 -0.28 0.00 0.00 0.00 0.00 46.02 45.87 1f4h n GLY 419 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1f4h s MET 420 N -2.00 2.83 -0.10 1.61 -1.94 -0.67 -4.78 119.30 114.24 1f4h s MET 420 Ca 0.10 0.13 -0.01 0.00 -1.71 0.00 0.00 55.69 54.20 1f4h s MET 420 Cb 0.05 -2.18 0.03 0.00 2.01 0.00 0.00 34.83 34.74 1f4h s MET 420 CO 0.08 -0.86 -0.04 0.08 -0.01 0.00 0.00 175.02 174.27 1f4h s VAL 421 N -3.14 0.73 0.50 -6.03 1.01 -1.26 -3.47 120.40 108.75 1f4h s VAL 421 Ca 0.56 -0.12 -0.08 0.00 0.00 0.00 0.00 61.98 62.34 1f4h s VAL 421 Cb -0.11 -0.82 0.13 0.00 0.00 0.00 0.00 36.38 35.58 1f4h s VAL 421 CO 0.47 0.30 0.45 -0.81 0.00 0.00 0.00 175.10 175.52 1f4h n PRO 422 N 5.04 -1.87 -0.04 2.72 -0.04 -1.26 -4.84 135.00 134.70 1f4h n PRO 422 Ca -0.10 -0.72 -0.01 0.00 -0.04 0.00 0.00 63.50 62.63 1f4h n PRO 422 Cb 0.50 -0.67 0.27 0.00 -0.04 0.00 0.00 33.50 33.55 1f4h n PRO 422 CO 0.00 0.00 0.00 1.98 -0.04 0.00 0.00 175.50 177.44 1f4h h MET 423 N 0.00 0.63 -0.36 0.54 4.05 -1.87 -2.92 114.93 115.00 1f4h h MET 423 Ca -0.17 -0.13 0.09 0.00 -0.28 0.00 0.00 59.70 59.21 1f4h h MET 423 Cb 0.52 -0.10 -0.02 0.00 -0.80 0.00 0.00 31.60 31.21 1f4h h MET 423 CO 0.11 0.61 0.25 -0.91 0.23 0.00 0.00 176.91 177.20 1f4h h ASN 424 N 0.60 0.08 -0.32 1.39 -0.26 -1.85 -3.39 115.58 111.83 1f4h h ASN 424 Ca 0.13 0.00 0.05 0.00 -0.56 0.00 0.00 56.30 55.93 1f4h h ASN 424 Cb 0.30 -0.02 -0.05 0.00 -1.06 0.00 0.00 38.32 37.49 1f4h h ASN 424 CO 0.00 0.05 -0.12 -1.14 -1.06 0.00 0.00 177.43 175.17 1f4h n ARG 425 N -4.45 -0.07 -0.06 0.81 0.63 -1.10 0.74 116.66 113.16 1f4h n ARG 425 Ca 0.05 0.50 -0.11 0.00 -0.92 0.00 0.00 57.85 57.37 1f4h n ARG 425 Cb 0.37 -0.74 -0.15 0.00 0.45 0.00 0.00 32.46 32.39 1f4h n ARG 425 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 1f4h n LEU 426 N -4.49 0.87 0.14 6.15 4.77 -1.26 -3.98 117.00 119.20 1f4h n LEU 426 Ca 0.04 0.17 0.12 0.00 -0.03 0.00 0.00 56.01 56.30 1f4h n LEU 426 Cb 0.14 0.09 0.52 0.00 -2.33 0.00 0.00 43.42 41.83 1f4h n LEU 426 CO -0.04 0.53 0.86 0.35 -1.33 0.00 0.00 177.39 177.76 1f4h n THR 427 N -2.98 0.84 0.75 -5.08 -2.24 0.16 -2.16 114.28 103.58 1f4h n THR 427 Ca -0.28 0.29 0.09 0.00 -2.27 0.00 0.00 64.05 61.88 1f4h n THR 427 Cb 1.09 -1.24 0.08 0.00 -2.10 0.00 0.00 70.33 68.17 1f4h n THR 427 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1f4h n ASP 428 N -2.29 2.61 -4.64 3.42 2.03 0.23 -2.34 116.55 115.57 1f4h n ASP 428 Ca 0.02 -1.80 -0.36 0.00 0.52 0.00 0.00 54.79 53.17 1f4h n ASP 428 Cb 0.21 -0.01 -0.10 0.00 -0.72 0.00 0.00 41.12 40.50 1f4h n ASP 428 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1f4h s ASP 429 N -1.56 5.93 0.44 1.67 -1.08 -0.92 -4.64 116.67 116.51 1f4h s ASP 429 Ca 0.23 0.08 0.18 0.00 -0.52 0.00 0.00 52.55 52.52 1f4h s ASP 429 Cb 0.16 -2.06 1.04 0.00 -1.46 0.00 0.00 42.92 40.60 1f4h s ASP 429 CO 0.24 0.08 1.95 -0.65 0.52 0.00 0.00 175.17 177.31 1f4h h PRO 430 N 7.40 0.00 0.00 4.34 0.11 -1.93 -0.11 132.00 141.82 1f4h h PRO 430 Ca -0.38 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.73 1f4h h PRO 430 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1f4h h PRO 430 CO 0.66 0.23 0.03 0.00 -0.21 0.00 0.00 178.00 178.71 1f4h h ARG 431 N 0.00 0.00 -0.69 1.05 3.08 -1.94 -0.28 114.38 115.60 1f4h h ARG 431 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1f4h h ARG 431 Cb 0.47 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.52 1f4h h ARG 431 CO 0.03 0.00 0.00 0.91 -1.07 0.00 0.00 179.97 179.84 1f4h n TRP 432 N -2.94 0.92 0.11 3.04 7.02 -0.05 -4.59 117.44 120.95 1f4h n TRP 432 Ca -0.03 -0.50 -0.12 0.00 -1.02 0.00 0.00 57.50 55.84 1f4h n TRP 432 Cb 0.09 -0.00 -0.07 0.00 -2.42 0.00 0.00 31.31 28.91 1f4h n TRP 432 CO 0.00 0.00 0.00 1.25 -2.02 0.00 0.00 177.69 176.92 1f4h h LEU 433 N 4.03 -0.29 -0.66 -0.99 5.85 -1.08 -2.53 115.31 119.65 1f4h h LEU 433 Ca 0.00 -0.24 0.12 0.00 0.84 0.00 0.00 57.88 58.60 1f4h h LEU 433 Cb 0.96 0.07 -0.12 0.00 0.37 0.00 0.00 40.66 41.94 1f4h h LEU 433 CO 0.00 0.17 -0.31 -0.65 -0.34 0.00 0.00 178.44 177.31 1f4h h PRO 434 N -0.84 -0.11 -0.37 5.25 0.11 -1.81 0.89 132.00 135.12 1f4h h PRO 434 Ca -0.03 0.01 0.08 0.00 0.11 0.00 0.00 66.00 66.16 1f4h h PRO 434 Cb 0.51 0.03 -0.08 0.00 0.11 0.00 0.00 31.00 31.57 1f4h h PRO 434 CO 0.06 -0.08 -0.15 0.00 -0.21 0.00 0.00 178.00 177.62 1f4h h ALA 435 N 1.16 0.15 -0.12 -0.75 0.00 -1.76 -0.69 119.26 117.26 1f4h h ALA 435 Ca 0.26 0.14 -0.20 0.00 0.00 0.00 0.00 54.91 55.11 1f4h h ALA 435 Cb 0.55 0.38 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1f4h h ALA 435 CO -0.72 -0.52 -0.75 0.52 0.00 0.00 0.00 179.25 177.78 1f4h h MET 436 N -0.08 0.58 -0.92 0.00 2.86 -0.73 -2.98 114.93 113.67 1f4h h MET 436 Ca 0.18 -0.47 0.25 0.00 -2.06 0.00 0.00 59.70 57.60 1f4h h MET 436 Cb 0.36 0.10 -0.14 0.00 0.06 0.00 0.00 31.60 31.98 1f4h h MET 436 CO -0.42 1.10 0.38 1.03 1.06 0.00 0.00 176.91 180.05 1f4h h SER 437 N 0.40 0.26 0.80 1.22 0.87 0.18 0.16 113.55 117.44 1f4h h SER 437 Ca -0.04 0.18 -0.13 0.00 -1.23 0.00 0.00 61.79 60.57 1f4h h SER 437 Cb 1.34 0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 63.47 1f4h h SER 437 CO 0.14 -0.09 -0.61 -0.33 -0.53 0.00 0.00 176.83 175.41 1f4h h GLU 438 N 0.31 0.00 0.00 2.24 4.39 -1.04 -1.02 114.58 119.46 1f4h h GLU 438 Ca 0.60 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 60.30 1f4h h GLU 438 Cb 1.23 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.88 1f4h h GLU 438 CO -0.59 0.61 -0.03 0.00 -1.16 0.00 0.00 179.01 177.84 1f4h h ARG 439 N 0.00 0.00 0.00 2.33 3.08 -0.54 -2.91 114.38 116.33 1f4h h ARG 439 Ca -0.01 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 59.91 1f4h h ARG 439 Cb 1.17 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.20 1f4h h ARG 439 CO 0.08 0.03 -1.34 0.28 -1.07 0.00 0.00 179.97 177.94 1f4h n VAL 440 N -3.12 1.50 -0.28 2.04 0.31 -1.01 -4.30 118.33 113.47 1f4h n VAL 440 Ca 0.02 0.01 0.03 0.00 -0.01 0.00 0.00 64.34 64.39 1f4h n VAL 440 Cb 0.41 -2.22 0.17 0.00 -0.91 0.00 0.00 33.84 31.29 1f4h n VAL 440 CO 0.00 0.00 0.00 0.71 -1.32 0.00 0.00 176.83 176.22 1f4h h THR 441 N -1.00 0.87 0.00 2.52 1.35 -1.33 -1.80 112.91 113.52 1f4h h THR 441 Ca -0.20 -0.25 -0.07 0.00 -0.55 0.00 0.00 66.41 65.33 1f4h h THR 441 Cb 1.11 0.07 -0.01 0.00 -1.73 0.00 0.00 68.15 67.59 1f4h h THR 441 CO -0.12 0.13 -0.34 0.03 -0.25 0.00 0.00 175.52 174.97 1f4h h ARG 442 N 0.74 0.00 -0.30 4.72 3.08 -1.74 -1.47 114.38 119.40 1f4h h ARG 442 Ca 0.40 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 60.32 1f4h h ARG 442 Cb 0.41 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.45 1f4h h ARG 442 CO -0.27 0.34 -0.31 1.98 -1.07 0.00 0.00 179.97 180.64 1f4h h MET 443 N 0.00 0.74 -0.25 0.04 4.05 -1.61 -2.13 114.93 115.76 1f4h h MET 443 Ca -0.00 -0.40 -0.09 0.00 -0.28 0.00 0.00 59.70 58.93 1f4h h MET 443 Cb 0.60 0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 31.42 1f4h h MET 443 CO 0.04 1.02 -0.20 0.28 0.23 0.00 0.00 176.91 178.28 1f4h h VAL 444 N 0.49 1.31 0.00 -5.77 2.07 -1.09 0.14 116.25 113.40 1f4h h VAL 444 Ca 0.05 -1.34 -0.00 0.00 0.82 0.00 0.00 66.70 66.23 1f4h h VAL 444 Cb 0.89 1.62 -0.00 0.00 -1.52 0.00 0.00 31.29 32.27 1f4h h VAL 444 CO 0.08 0.42 -0.01 1.56 0.02 0.00 0.00 177.57 179.64 1f4h h GLN 445 N 0.30 0.00 0.00 1.57 4.20 -1.18 -2.72 115.11 117.29 1f4h h GLN 445 Ca 0.05 0.00 -0.20 0.00 0.06 0.00 0.00 58.65 58.56 1f4h h GLN 445 Cb 0.74 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.48 1f4h h GLN 445 CO 0.05 0.01 -2.00 -2.13 -0.67 0.00 0.00 178.83 174.09 1f4h n ARG 446 N -3.28 1.11 -0.00 1.46 0.63 -0.81 -2.59 116.66 113.18 1f4h n ARG 446 Ca -0.03 -0.06 0.06 0.00 -0.92 0.00 0.00 57.85 56.91 1f4h n ARG 446 Cb 0.09 -1.41 -0.08 0.00 0.45 0.00 0.00 32.46 31.52 1f4h n ARG 446 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 1f4h n ASP 447 N -2.43 0.99 -0.09 6.15 8.00 0.01 -4.50 116.55 124.68 1f4h n ASP 447 Ca -0.19 -0.58 0.24 0.00 0.71 0.00 0.00 54.79 54.98 1f4h n ASP 447 Cb 0.84 1.16 0.50 0.00 -0.02 0.00 0.00 41.12 43.60 1f4h n ASP 447 CO 0.00 0.00 0.00 0.08 -0.39 0.00 0.00 177.20 176.89 1f4h h ARG 448 N 0.00 0.00 -0.01 -1.24 0.11 -1.68 0.75 114.38 112.31 1f4h h ARG 448 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1f4h h ARG 448 Cb 0.37 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.45 1f4h h ARG 448 CO 0.00 0.00 -0.34 0.09 0.10 0.00 0.00 179.97 179.82 1f4h n ASN 449 N -3.30 1.49 -4.74 0.08 3.02 -1.26 -4.91 115.26 105.64 1f4h n ASN 449 Ca 0.17 -1.18 -0.41 0.00 -0.03 0.00 0.00 54.58 53.13 1f4h n ASN 449 Cb 1.24 0.28 -0.05 0.00 -0.61 0.00 0.00 39.78 40.64 1f4h n ASN 449 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 1f4h s HIS 450 N -2.48 3.83 -0.57 3.10 3.76 0.25 -4.83 115.29 118.35 1f4h s HIS 450 Ca 0.22 1.76 0.25 0.00 -0.15 0.00 0.00 55.06 57.15 1f4h s HIS 450 Cb 0.19 -3.00 0.87 0.00 1.11 0.00 0.00 32.58 31.75 1f4h s HIS 450 CO 0.54 0.27 1.75 -1.00 -0.85 0.00 0.00 174.74 175.45 1f4h h PRO 451 N 5.34 0.00 -0.01 8.40 0.13 -1.87 -3.13 132.00 140.86 1f4h h PRO 451 Ca -0.43 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.56 1f4h h PRO 451 Cb 1.21 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.32 1f4h h PRO 451 CO 0.71 0.00 -0.64 0.66 -0.23 0.00 0.00 178.00 178.50 1f4h h SER 452 N 0.00 0.03 -3.20 1.44 4.64 -1.87 -3.42 113.55 111.16 1f4h h SER 452 Ca 0.00 -0.02 -0.57 0.00 -0.47 0.00 0.00 61.79 60.73 1f4h h SER 452 Cb 0.61 -0.01 -0.05 0.00 -0.31 0.00 0.00 62.40 62.64 1f4h h SER 452 CO 0.00 0.66 0.98 -0.69 -0.87 0.00 0.00 176.83 176.91 1f4h s VAL 453 N -3.58 4.11 -0.52 0.95 1.01 -1.19 -0.25 120.40 120.93 1f4h s VAL 453 Ca -0.01 1.23 0.12 0.00 0.00 0.00 0.00 61.98 63.31 1f4h s VAL 453 Cb 0.12 -4.19 -0.13 0.00 0.00 0.00 0.00 36.38 32.18 1f4h s VAL 453 CO 0.77 -0.55 0.48 2.30 0.00 0.00 0.00 175.10 178.10 1f4h n ILE 454 N 6.39 0.00 -3.75 2.22 -5.35 -0.56 -4.93 119.36 113.37 1f4h n ILE 454 Ca 0.15 -0.23 -0.13 0.00 -0.27 0.00 0.00 62.75 62.27 1f4h n ILE 454 Cb 0.47 0.96 -0.09 0.00 -1.74 0.00 0.00 39.64 39.24 1f4h n ILE 454 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 1f4h s ILE 455 N -2.13 0.04 -0.09 7.28 1.01 -1.22 -3.96 121.20 122.12 1f4h s ILE 455 Ca 0.04 -0.30 -0.01 0.00 0.00 0.00 0.00 60.65 60.38 1f4h s ILE 455 Cb 0.09 -0.58 -0.03 0.00 0.01 0.00 0.00 42.46 41.95 1f4h s ILE 455 CO 0.48 -0.17 -0.05 0.26 0.00 0.00 0.00 174.94 175.46 1f4h s TRP 456 N -0.80 2.99 -0.04 3.97 0.52 -0.62 -1.10 118.94 123.87 1f4h s TRP 456 Ca -0.09 -0.03 0.07 0.00 0.02 0.00 0.00 56.10 56.07 1f4h s TRP 456 Cb -0.04 -1.78 -0.02 0.00 -1.15 0.00 0.00 33.47 30.48 1f4h s TRP 456 CO 0.03 0.27 -0.24 0.45 0.02 0.00 0.00 176.95 177.47 1f4h s SER 457 N -0.54 3.18 0.00 2.95 0.15 0.55 0.92 113.70 120.90 1f4h s SER 457 Ca 0.08 -0.46 0.01 0.00 0.70 0.00 0.00 55.95 56.29 1f4h s SER 457 Cb -0.12 -0.65 0.06 0.00 -1.71 0.00 0.00 66.02 63.61 1f4h s SER 457 CO 0.02 0.29 1.03 0.18 1.20 0.00 0.00 173.24 175.96 1f4h n LEU 458 N 2.68 0.00 0.00 3.45 4.77 -0.90 -2.61 117.00 124.39 1f4h n LEU 458 Ca -0.17 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.81 1f4h n LEU 458 Cb 0.52 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 1f4h n LEU 458 CO 0.24 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.91 1f4h n GLY 459 N 0.51 0.63 2.96 -0.72 0.00 -1.26 -4.65 105.19 102.66 1f4h n GLY 459 Ca 0.01 -2.14 -0.11 0.00 0.00 0.00 0.00 46.02 43.78 1f4h n GLY 459 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1f4h s ASN 460 N -4.00 0.34 -0.03 1.61 2.47 -0.67 -4.72 114.94 109.95 1f4h s ASN 460 Ca 0.00 -0.33 -0.03 0.00 0.42 0.00 0.00 52.86 52.92 1f4h s ASN 460 Cb 0.00 0.04 0.00 0.00 -1.45 0.00 0.00 41.25 39.85 1f4h s ASN 460 CO 0.00 -0.16 0.04 -1.84 -3.72 0.00 0.00 177.10 171.42 1f4h n GLU 461 N 2.12 -0.12 -0.20 0.43 0.28 -1.26 -4.16 120.64 117.72 1f4h n GLU 461 Ca -0.19 0.09 0.00 0.00 -0.16 0.00 0.00 57.16 56.90 1f4h n GLU 461 Cb 0.57 -0.13 0.00 0.00 1.43 0.00 0.00 31.44 33.31 1f4h n GLU 461 CO 0.00 0.00 0.00 0.43 -0.16 0.00 0.00 177.13 177.40 1f4h n SER 462 N 0.95 0.00 -0.15 -1.84 7.64 -1.26 -1.88 113.62 117.07 1f4h n SER 462 Ca -0.01 -1.40 0.00 0.00 1.01 0.00 0.00 58.87 58.48 1f4h n SER 462 Cb 0.05 -0.08 0.00 0.00 -1.01 0.00 0.00 64.21 63.17 1f4h n SER 462 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1f4h n GLY 463 N 0.00 -0.13 3.13 0.23 0.00 -1.26 -3.50 105.19 103.65 1f4h n GLY 463 Ca 0.00 -1.01 -0.30 0.00 0.00 0.00 0.00 46.02 44.71 1f4h n GLY 463 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1f4h s HIS 464 N 0.00 2.19 0.08 1.61 2.46 -1.26 -3.70 115.29 116.66 1f4h s HIS 464 Ca 0.00 -0.96 -0.02 0.00 0.47 0.00 0.00 55.06 54.55 1f4h s HIS 464 Cb 0.00 -1.52 -0.04 0.00 -0.13 0.00 0.00 32.58 30.90 1f4h s HIS 464 CO 0.00 -0.44 0.02 0.20 -2.47 0.00 0.00 174.74 172.05 1f4h s GLY 465 N 0.67 0.61 0.27 1.59 0.00 -1.26 -4.76 107.32 104.44 1f4h s GLY 465 Ca -0.13 -1.25 0.00 0.00 0.00 0.00 0.00 44.72 43.35 1f4h s GLY 465 CO 0.03 -1.29 1.79 0.00 0.00 0.00 0.00 173.10 173.63 1f4h h ALA 466 N 3.02 1.39 0.00 3.20 0.00 -1.82 0.17 119.26 125.22 1f4h h ALA 466 Ca -0.34 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1f4h h ALA 466 Cb 1.16 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1f4h h ALA 466 CO 0.63 0.03 0.22 -0.91 0.00 0.00 0.00 179.25 179.22 1f4h h ASN 467 N 0.78 0.00 0.12 0.00 2.35 -1.78 -2.06 115.58 114.98 1f4h h ASN 467 Ca 0.48 0.00 -0.18 0.00 -0.55 0.00 0.00 56.30 56.05 1f4h h ASN 467 Cb 0.60 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.98 1f4h h ASN 467 CO -0.32 0.00 -0.80 0.45 -1.65 0.00 0.00 177.43 175.11 1f4h h HIS 468 N 0.00 0.45 -0.28 1.19 3.86 -0.83 -2.73 115.15 116.81 1f4h h HIS 468 Ca 0.00 -0.33 0.05 0.00 -1.16 0.00 0.00 60.37 58.93 1f4h h HIS 468 Cb 0.43 -0.02 -0.08 0.00 1.06 0.00 0.00 27.41 28.81 1f4h h HIS 468 CO 0.00 1.31 -0.51 -0.44 0.86 0.00 0.00 177.93 179.15 1f4h h ASP 469 N -0.45 -1.65 -0.54 2.45 3.32 -1.41 1.02 116.42 119.17 1f4h h ASP 469 Ca -0.15 0.22 0.08 0.00 0.02 0.00 0.00 57.03 57.20 1f4h h ASP 469 Cb 1.57 0.67 -0.07 0.00 0.22 0.00 0.00 39.33 41.73 1f4h h ASP 469 CO 0.11 -0.43 0.17 0.00 -1.72 0.00 0.00 179.24 177.37 1f4h h ALA 470 N 0.01 0.65 -0.40 3.45 0.00 -1.51 -0.27 119.26 121.18 1f4h h ALA 470 Ca 0.08 0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.98 1f4h h ALA 470 Cb 0.63 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 1f4h h ALA 470 CO -0.51 -0.24 -0.13 -0.07 0.00 0.00 0.00 179.25 178.30 1f4h h LEU 471 N 0.33 0.72 -0.38 0.00 3.38 -0.83 0.18 115.31 118.72 1f4h h LEU 471 Ca 0.27 -0.22 0.01 0.00 0.09 0.00 0.00 57.88 58.03 1f4h h LEU 471 Cb 0.33 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 1f4h h LEU 471 CO -0.30 0.86 0.23 0.22 0.09 0.00 0.00 178.44 179.55 1f4h h TYR 472 N 0.66 0.44 -0.43 1.13 3.20 0.19 -1.66 116.97 120.50 1f4h h TYR 472 Ca 0.11 0.01 -0.06 0.00 3.14 0.00 0.00 58.73 61.93 1f4h h TYR 472 Cb 0.59 -0.14 -0.02 0.00 1.54 0.00 0.00 36.73 38.70 1f4h h TYR 472 CO 0.03 0.27 0.02 -0.09 -1.64 0.00 0.00 178.16 176.74 1f4h h ARG 473 N 0.47 0.68 -0.43 1.82 1.12 -0.48 -2.13 114.38 115.44 1f4h h ARG 473 Ca 0.14 -0.16 0.07 0.00 -1.11 0.00 0.00 59.98 58.92 1f4h h ARG 473 Cb -0.02 -0.09 -0.06 0.00 -0.01 0.00 0.00 29.97 29.79 1f4h h ARG 473 CO -0.05 0.69 0.10 2.35 -3.11 0.00 0.00 179.97 179.94 1f4h h TRP 474 N 0.65 0.16 0.70 2.20 7.01 0.07 -1.93 115.95 124.81 1f4h h TRP 474 Ca 0.13 0.03 -0.03 0.00 2.11 0.00 0.00 58.89 61.13 1f4h h TRP 474 Cb 0.38 -0.01 0.01 0.00 -2.10 0.00 0.00 29.16 27.43 1f4h h TRP 474 CO 0.02 0.03 -0.34 0.82 -2.79 0.00 0.00 178.44 176.18 1f4h h ILE 475 N 0.24 0.27 -0.97 2.65 2.04 -0.77 0.43 117.51 121.40 1f4h h ILE 475 Ca 0.21 -0.11 0.31 0.00 1.00 0.00 0.00 64.86 66.27 1f4h h ILE 475 Cb 0.25 0.30 -0.17 0.00 -0.74 0.00 0.00 36.82 36.46 1f4h h ILE 475 CO -0.26 0.01 0.25 0.11 0.00 0.00 0.00 178.15 178.26 1f4h h LYS 476 N -1.02 0.06 0.83 2.37 1.79 -1.14 1.21 116.57 120.68 1f4h h LYS 476 Ca -0.10 -0.00 -0.04 0.00 -2.18 0.00 0.00 60.65 58.33 1f4h h LYS 476 Cb 0.74 -0.01 0.01 0.00 -1.58 0.00 0.00 32.23 31.38 1f4h h LYS 476 CO 0.16 0.04 -0.40 0.77 -1.08 0.00 0.00 179.45 178.94 1f4h h SER 477 N 0.07 -0.95 0.29 0.86 0.02 -1.15 -3.02 113.55 109.66 1f4h h SER 477 Ca 0.67 0.03 -0.06 0.00 -0.84 0.00 0.00 61.79 61.59 1f4h h SER 477 Cb 1.52 0.25 -0.01 0.00 0.14 0.00 0.00 62.40 64.30 1f4h h SER 477 CO -0.81 -0.59 -0.28 0.58 -1.14 0.00 0.00 176.83 174.59 1f4h h VAL 478 N -1.29 1.18 -1.04 2.27 2.07 0.20 -3.40 116.25 116.24 1f4h h VAL 478 Ca -0.11 -0.97 -0.03 0.00 0.82 0.00 0.00 66.70 66.41 1f4h h VAL 478 Cb 0.86 1.53 -0.21 0.00 -1.52 0.00 0.00 31.29 31.95 1f4h h VAL 478 CO 0.19 0.28 -0.42 -0.62 0.02 0.00 0.00 177.57 177.01 1f4h s ASP 479 N -6.94 -1.46 0.21 0.57 2.15 0.37 -4.98 116.67 106.59 1f4h s ASP 479 Ca -0.03 -0.32 0.26 0.00 0.43 0.00 0.00 52.55 52.89 1f4h s ASP 479 Cb 0.15 1.94 0.84 0.00 -0.30 0.00 0.00 42.92 45.55 1f4h s ASP 479 CO 0.71 -0.24 1.77 -0.81 -0.17 0.00 0.00 175.17 176.43 1f4h n PRO 480 N 4.93 0.25 0.31 4.34 -0.04 -1.14 -3.83 135.00 139.81 1f4h n PRO 480 Ca 0.08 0.23 0.17 0.00 -0.04 0.00 0.00 63.50 63.94 1f4h n PRO 480 Cb 0.55 -1.80 0.99 0.00 -0.04 0.00 0.00 33.50 33.20 1f4h n PRO 480 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1f4h h SER 481 N 0.00 0.00 -4.13 3.54 4.64 -1.90 -3.43 113.55 112.27 1f4h h SER 481 Ca 0.00 0.00 -0.40 0.00 -0.47 0.00 0.00 61.79 60.92 1f4h h SER 481 Cb 0.69 0.00 -0.18 0.00 -0.31 0.00 0.00 62.40 62.59 1f4h h SER 481 CO 0.00 0.00 -0.75 -0.13 -0.87 0.00 0.00 176.83 175.08 1f4h s ARG 482 N -4.52 0.98 0.35 4.77 0.52 -1.25 -4.31 118.95 115.50 1f4h s ARG 482 Ca -0.05 -1.21 -0.08 0.00 -0.52 0.00 0.00 55.73 53.87 1f4h s ARG 482 Cb 0.15 -0.83 -0.06 0.00 0.52 0.00 0.00 34.95 34.73 1f4h s ARG 482 CO 0.51 0.16 0.66 -2.14 0.02 0.00 0.00 175.30 174.51 1f4h s PRO 483 N -2.65 3.71 0.09 3.54 0.02 -1.25 -4.90 135.00 133.56 1f4h s PRO 483 Ca 0.08 0.24 0.07 0.00 0.02 0.00 0.00 61.00 61.40 1f4h s PRO 483 Cb -0.05 -2.52 -0.04 0.00 0.02 0.00 0.00 34.50 31.92 1f4h s PRO 483 CO 0.02 0.09 -0.09 0.08 -0.33 0.00 0.00 177.00 176.77 1f4h s VAL 484 N -2.23 3.42 -0.01 3.83 1.01 -1.26 -1.59 120.40 123.57 1f4h s VAL 484 Ca 0.48 -1.20 -0.09 0.00 0.00 0.00 0.00 61.98 61.17 1f4h s VAL 484 Cb -0.10 -2.58 0.01 0.00 0.00 0.00 0.00 36.38 33.70 1f4h s VAL 484 CO 0.30 0.15 0.18 0.00 0.00 0.00 0.00 175.10 175.73 1f4h s GLN 485 N -2.10 0.49 -0.23 2.72 -2.07 0.26 -1.06 119.66 117.67 1f4h s GLN 485 Ca 0.21 -0.28 -0.19 0.00 -1.82 0.00 0.00 55.36 53.28 1f4h s GLN 485 Cb -0.11 0.21 0.06 0.00 -1.09 0.00 0.00 33.01 32.08 1f4h s GLN 485 CO 0.13 -0.12 0.60 -0.47 -1.32 0.00 0.00 175.29 174.11 1f4h s TYR 486 N -1.19 -0.73 -0.13 9.60 5.04 -1.25 -2.13 117.35 126.56 1f4h s TYR 486 Ca -0.13 1.67 0.19 0.00 -2.44 0.00 0.00 57.07 56.36 1f4h s TYR 486 Cb -0.06 0.31 -0.24 0.00 0.35 0.00 0.00 41.96 42.31 1f4h s TYR 486 CO 0.02 -0.36 0.42 -1.91 -1.34 0.00 0.00 175.55 172.38 1f4h n GLU 487 N 3.23 0.66 -1.16 4.97 0.00 -1.26 -4.61 120.64 122.46 1f4h n GLU 487 Ca -0.16 0.01 -0.38 0.00 0.00 0.00 0.00 57.16 56.63 1f4h n GLU 487 Cb 0.56 -1.61 0.02 0.00 0.00 0.00 0.00 31.44 30.41 1f4h n GLU 487 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1f4h n GLY 488 N 1.50 -3.69 2.57 8.31 0.00 -1.26 -0.55 105.19 112.07 1f4h n GLY 488 Ca -0.18 -0.39 -0.03 0.00 0.00 0.00 0.00 46.02 45.42 1f4h n GLY 488 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1f4h n GLY 489 N 2.82 0.49 0.00 -0.02 0.00 -1.24 -3.53 105.19 103.71 1f4h n GLY 489 Ca 0.05 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1f4h n GLY 489 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1f4h n GLY 490 N -0.71 0.90 3.61 -0.02 0.00 -1.22 -4.76 105.19 102.99 1f4h n GLY 490 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1f4h n GLY 490 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1f4h n ALA 491 N 0.00 0.00 -1.07 4.61 0.00 0.29 -4.74 120.51 119.60 1f4h n ALA 491 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.52 1f4h n ALA 491 Cb 0.00 -0.22 0.11 0.00 0.00 0.00 0.00 19.45 19.34 1f4h n ALA 491 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1f4h n ASP 492 N 0.00 2.00 -3.07 0.00 5.68 -1.26 -2.75 116.55 117.15 1f4h n ASP 492 Ca 0.00 -2.82 -0.12 0.00 -0.50 0.00 0.00 54.79 51.35 1f4h n ASP 492 Cb 0.00 -0.35 0.12 0.00 -1.14 0.00 0.00 41.12 39.74 1f4h n ASP 492 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 1f4h n THR 493 N -1.15 0.00 0.83 2.12 -2.24 -1.26 -4.87 114.28 107.71 1f4h n THR 493 Ca 0.12 -0.02 0.13 0.00 -2.27 0.00 0.00 64.05 62.01 1f4h n THR 493 Cb 0.60 -0.46 0.40 0.00 -2.10 0.00 0.00 70.33 68.78 1f4h n THR 493 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1f4h n THR 494 N -4.06 0.21 1.01 4.28 -2.24 -1.26 -3.43 114.28 108.79 1f4h n THR 494 Ca 0.06 -0.12 0.03 0.00 -2.27 0.00 0.00 64.05 61.75 1f4h n THR 494 Cb 0.24 -0.29 0.11 0.00 -2.10 0.00 0.00 70.33 68.29 1f4h n THR 494 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1f4h n ALA 495 N -1.63 2.59 -2.71 6.98 0.00 -1.26 -4.87 120.51 119.62 1f4h n ALA 495 Ca 0.06 -0.47 -0.12 0.00 0.00 0.00 0.00 53.44 52.91 1f4h n ALA 495 Cb 0.38 -1.00 -0.11 0.00 0.00 0.00 0.00 19.45 18.72 1f4h n ALA 495 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1f4h s THR 496 N -1.65 0.49 -1.25 0.00 -1.32 -1.22 -3.80 115.64 106.88 1f4h s THR 496 Ca 0.16 -1.25 0.19 0.00 -1.21 0.00 0.00 61.69 59.58 1f4h s THR 496 Cb 0.10 -0.80 -0.13 0.00 -1.51 0.00 0.00 72.50 70.15 1f4h s THR 496 CO 0.09 -0.52 0.88 0.47 -2.21 0.00 0.00 174.62 173.33 1f4h n ASP 497 N 1.13 1.27 -3.90 8.08 8.00 -0.22 -4.88 116.55 126.03 1f4h n ASP 497 Ca -0.21 -1.14 -0.13 0.00 0.71 0.00 0.00 54.79 54.03 1f4h n ASP 497 Cb 0.56 0.80 -0.14 0.00 -0.02 0.00 0.00 41.12 42.32 1f4h n ASP 497 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1f4h s ILE 498 N -2.58 0.14 -0.34 0.53 1.01 -1.26 -4.58 121.20 114.12 1f4h s ILE 498 Ca 0.11 -0.09 -0.29 0.00 0.00 0.00 0.00 60.65 60.38 1f4h s ILE 498 Cb 0.15 -0.12 0.00 0.00 0.01 0.00 0.00 42.46 42.50 1f4h s ILE 498 CO 0.67 0.03 1.40 -0.63 0.00 0.00 0.00 174.94 176.41 1f4h s ILE 499 N -0.07 3.97 -0.52 2.92 1.01 -0.27 -4.76 121.20 123.49 1f4h s ILE 499 Ca 0.00 1.06 0.06 0.00 0.00 0.00 0.00 60.65 61.77 1f4h s ILE 499 Cb -0.01 -4.11 0.37 0.00 0.01 0.00 0.00 42.46 38.72 1f4h s ILE 499 CO -0.00 -0.57 0.98 0.00 0.00 0.00 0.00 174.94 175.35 1f4h s PRO 501 N -3.41 1.26 -0.10 0.00 0.04 -1.26 -3.86 135.00 127.66 1f4h s PRO 501 Ca 0.47 1.36 0.03 0.00 0.04 0.00 0.00 61.00 62.90 1f4h s PRO 501 Cb 0.32 -1.77 -0.01 0.00 0.04 0.00 0.00 34.50 33.09 1f4h s PRO 501 CO -0.14 -2.40 -0.21 0.00 0.04 0.00 0.00 177.00 174.29 1f4h s MET 502 N -4.73 3.03 -0.21 4.56 0.23 -1.26 -1.35 119.30 119.57 1f4h s MET 502 Ca 0.65 -0.82 0.00 0.00 -1.03 0.00 0.00 55.69 54.49 1f4h s MET 502 Cb -0.21 -2.37 0.00 0.00 -1.53 0.00 0.00 34.83 30.72 1f4h s MET 502 CO 0.58 0.25 0.00 0.66 -2.03 0.00 0.00 175.02 174.47 1f4h n TYR 503 N 3.36 0.00 -2.06 3.16 0.53 0.14 -4.93 117.16 117.36 1f4h n TYR 503 Ca -0.18 0.00 -0.41 0.00 -1.02 0.00 0.00 57.90 56.28 1f4h n TYR 503 Cb 0.53 -0.80 -0.02 0.00 -1.03 0.00 0.00 39.34 38.02 1f4h n TYR 503 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 1f4h s ALA 504 N -1.91 3.61 0.38 -0.72 0.00 -1.26 -4.92 121.76 116.94 1f4h s ALA 504 Ca 0.00 1.28 -0.11 0.00 0.00 0.00 0.00 51.96 53.13 1f4h s ALA 504 Cb 0.00 -3.54 -0.07 0.00 0.00 0.00 0.00 23.12 19.51 1f4h s ALA 504 CO 0.00 -0.69 0.75 1.03 0.00 0.00 0.00 175.76 176.85 1f4h s ARG 505 N -0.29 3.81 0.07 0.00 0.52 -1.25 -4.84 118.95 116.96 1f4h s ARG 505 Ca 0.59 0.47 -0.32 0.00 -0.52 0.00 0.00 55.73 55.95 1f4h s ARG 505 Cb -0.41 -2.42 -0.19 0.00 0.52 0.00 0.00 34.95 32.46 1f4h s ARG 505 CO 0.42 0.01 1.63 0.28 0.02 0.00 0.00 175.30 177.66 1f4h h VAL 506 N 1.26 0.38 -0.00 3.52 2.07 -1.93 -1.23 116.25 120.32 1f4h h VAL 506 Ca -0.47 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.04 1f4h h VAL 506 Cb 1.19 0.38 0.00 0.00 -1.52 0.00 0.00 31.29 31.34 1f4h h VAL 506 CO 0.64 0.00 -0.01 0.47 0.02 0.00 0.00 177.57 178.69 1f4h n ASP 507 N -5.45 0.53 -4.54 0.57 8.00 -1.26 -3.10 116.55 111.30 1f4h n ASP 507 Ca -0.13 -0.77 -0.34 0.00 0.71 0.00 0.00 54.79 54.27 1f4h n ASP 507 Cb 0.34 0.50 -0.12 0.00 -0.02 0.00 0.00 41.12 41.83 1f4h n ASP 507 CO 0.00 0.00 0.00 -1.83 -0.39 0.00 0.00 177.20 174.98 1f4h s GLU 508 N -0.54 2.78 0.30 -1.24 -1.05 -1.26 -4.80 118.70 112.89 1f4h s GLU 508 Ca 0.00 -0.59 -0.09 0.00 -0.15 0.00 0.00 54.97 54.14 1f4h s GLU 508 Cb 0.00 -2.56 -0.07 0.00 -0.44 0.00 0.00 34.13 31.07 1f4h s GLU 508 CO 0.01 0.60 0.63 -0.51 0.95 0.00 0.00 175.26 176.95 1f4h s ASP 509 N -0.65 6.57 -0.44 0.83 1.01 -1.26 -3.66 116.67 119.08 1f4h s ASP 509 Ca 0.10 0.97 0.05 0.00 0.71 0.00 0.00 52.55 54.38 1f4h s ASP 509 Cb -0.11 -2.25 0.19 0.00 1.01 0.00 0.00 42.92 41.76 1f4h s ASP 509 CO 0.02 -0.21 0.41 0.00 0.21 0.00 0.00 175.17 175.60 1f4h n GLN 510 N -0.68 0.52 -0.56 8.23 6.02 -0.54 -4.93 117.38 125.45 1f4h n GLN 510 Ca 0.01 -3.34 -0.17 0.00 -0.01 0.00 0.00 57.00 53.49 1f4h n GLN 510 Cb 0.53 -1.63 -0.01 0.00 1.02 0.00 0.00 30.24 30.15 1f4h n GLN 510 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 1f4h n PRO 511 N 2.36 1.58 -1.18 -1.09 -0.04 -1.26 0.34 135.00 135.71 1f4h n PRO 511 Ca 0.27 -1.21 -0.35 0.00 -0.04 0.00 0.00 63.50 62.17 1f4h n PRO 511 Cb 0.48 -2.33 0.10 0.00 -0.04 0.00 0.00 33.50 31.71 1f4h n PRO 511 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1f4h n PHE 512 N 4.34 0.21 -2.45 0.54 0.99 -1.26 -4.77 117.46 115.06 1f4h n PHE 512 Ca 0.34 0.37 -0.42 0.00 -0.00 0.00 0.00 57.45 57.74 1f4h n PHE 512 Cb 0.11 -2.01 -0.03 0.00 -1.00 0.00 0.00 39.48 36.55 1f4h n PHE 512 CO 0.00 0.00 0.00 -2.14 -0.00 0.00 0.00 176.76 174.62 1f4h s PRO 513 N -3.46 4.49 0.00 -1.08 0.02 -1.26 -2.64 135.00 131.07 1f4h s PRO 513 Ca 0.69 1.76 0.00 0.00 0.02 0.00 0.00 61.00 63.48 1f4h s PRO 513 Cb -0.31 -3.31 0.00 0.00 0.02 0.00 0.00 34.50 30.89 1f4h s PRO 513 CO 0.55 -0.14 0.00 0.00 -0.33 0.00 0.00 177.00 177.08 1f4h n ALA 514 N 3.29 0.00 -2.86 -1.55 0.00 -1.26 -4.65 120.51 113.47 1f4h n ALA 514 Ca 0.06 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.38 1f4h n ALA 514 Cb 0.46 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.93 1f4h n ALA 514 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1f4h n VAL 515 N -0.38 0.45 -1.52 0.00 0.24 -1.16 -4.79 118.33 111.16 1f4h n VAL 515 Ca 0.00 -3.46 -0.37 0.00 -2.04 0.00 0.00 64.34 58.47 1f4h n VAL 515 Cb 0.00 0.38 0.06 0.00 -1.47 0.00 0.00 33.84 32.81 1f4h n VAL 515 CO 0.00 0.00 0.00 -0.81 -2.14 0.00 0.00 176.83 173.88 1f4h n PRO 516 N 0.05 0.71 -3.48 7.34 -0.05 -1.08 -4.40 135.00 134.10 1f4h n PRO 516 Ca 0.14 0.29 -0.32 0.00 -0.05 0.00 0.00 63.50 63.56 1f4h n PRO 516 Cb 0.76 -2.13 -0.07 0.00 -0.05 0.00 0.00 33.50 32.01 1f4h n PRO 516 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 175.50 177.08 1f4h n LYS 517 N -1.17 2.78 -1.37 0.54 5.02 0.15 -4.82 118.16 119.29 1f4h n LYS 517 Ca 0.13 -4.59 -0.37 0.00 -2.02 0.00 0.00 58.31 51.47 1f4h n LYS 517 Cb 0.48 -2.34 0.05 0.00 -0.02 0.00 0.00 35.03 33.20 1f4h n LYS 517 CO 0.00 0.00 0.00 0.91 -0.52 0.00 0.00 177.40 177.79 1f4h n TRP 518 N 1.42 -0.75 -1.54 2.13 5.03 -1.26 -1.46 117.44 121.02 1f4h n TRP 518 Ca 0.26 0.39 -0.35 0.00 3.03 0.00 0.00 57.50 60.83 1f4h n TRP 518 Cb 0.38 -1.93 0.08 0.00 -1.03 0.00 0.00 31.31 28.80 1f4h n TRP 518 CO 0.00 0.00 0.00 -1.54 -0.03 0.00 0.00 177.69 176.12 1f4h s SER 519 N -1.32 4.39 0.23 -0.99 1.04 -1.24 -4.51 113.70 111.30 1f4h s SER 519 Ca 0.67 2.36 -0.02 0.00 0.48 0.00 0.00 55.95 59.43 1f4h s SER 519 Cb -0.39 -2.59 0.24 0.00 0.10 0.00 0.00 66.02 63.38 1f4h s SER 519 CO 0.56 -2.13 1.65 0.16 0.98 0.00 0.00 173.24 174.46 1f4h h ILE 520 N -0.09 1.27 -0.91 -1.02 3.07 -1.15 -0.12 117.51 118.56 1f4h h ILE 520 Ca -0.48 -1.35 -0.00 0.00 1.55 0.00 0.00 64.86 64.58 1f4h h ILE 520 Cb 1.30 1.28 -0.04 0.00 -0.27 0.00 0.00 36.82 39.09 1f4h h ILE 520 CO 0.51 0.44 0.55 0.11 -1.05 0.00 0.00 178.15 178.71 1f4h h LYS 521 N 0.59 1.23 -0.01 0.16 1.57 -1.84 -2.93 116.57 115.34 1f4h h LYS 521 Ca 0.08 -0.11 -0.17 0.00 -1.87 0.00 0.00 60.65 58.58 1f4h h LYS 521 Cb 0.74 -0.26 -0.02 0.00 0.08 0.00 0.00 32.23 32.77 1f4h h LYS 521 CO 0.06 0.86 -0.77 -0.22 -0.57 0.00 0.00 179.45 178.81 1f4h h LYS 522 N 1.25 0.11 -0.42 3.15 3.64 -1.72 -3.32 116.57 119.27 1f4h h LYS 522 Ca 0.33 -0.11 0.07 0.00 -1.27 0.00 0.00 60.65 59.68 1f4h h LYS 522 Cb -0.06 0.03 -0.06 0.00 -0.41 0.00 0.00 32.23 31.73 1f4h h LYS 522 CO -0.06 0.83 0.03 2.35 -2.27 0.00 0.00 179.45 180.33 1f4h h TRP 523 N 0.07 0.03 -0.84 1.91 2.91 -0.83 -2.92 115.95 116.27 1f4h h TRP 523 Ca -0.02 0.03 0.21 0.00 1.13 0.00 0.00 58.89 60.24 1f4h h TRP 523 Cb 1.36 0.05 -0.14 0.00 -0.51 0.00 0.00 29.16 29.92 1f4h h TRP 523 CO 0.01 -0.05 0.16 -0.07 -1.03 0.00 0.00 178.44 177.46 1f4h h LEU 524 N 0.15 -0.12 -0.20 0.65 3.38 -1.65 -2.02 115.31 115.50 1f4h h LEU 524 Ca 0.21 0.20 0.00 0.00 0.09 0.00 0.00 57.88 58.38 1f4h h LEU 524 Cb 0.29 0.30 0.00 0.00 0.09 0.00 0.00 40.66 41.33 1f4h h LEU 524 CO -0.32 -0.16 0.00 -1.20 0.09 0.00 0.00 178.44 176.84 1f4h n SER 525 N -5.27 0.30 -4.73 -0.43 7.64 -1.10 -4.36 113.62 105.66 1f4h n SER 525 Ca 0.19 -1.33 -0.32 0.00 1.01 0.00 0.00 58.87 58.42 1f4h n SER 525 Cb 0.62 -0.01 0.11 0.00 -1.01 0.00 0.00 64.21 63.91 1f4h n SER 525 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1f4h s LEU 526 N -1.74 3.11 -0.12 -3.43 1.02 -0.76 -4.89 118.68 111.87 1f4h s LEU 526 Ca 0.35 2.10 -0.29 0.00 0.02 0.00 0.00 54.13 56.31 1f4h s LEU 526 Cb 0.17 -4.56 -0.02 0.00 0.02 0.00 0.00 46.19 41.80 1f4h s LEU 526 CO 0.28 -2.34 1.29 -2.84 0.02 0.00 0.00 176.35 172.76 1f4h s PRO 527 N -4.44 4.26 0.00 1.29 0.02 -1.26 -2.63 135.00 132.23 1f4h s PRO 527 Ca 0.67 1.73 0.00 0.00 0.02 0.00 0.00 61.00 63.42 1f4h s PRO 527 Cb -0.22 -3.73 0.00 0.00 0.02 0.00 0.00 34.50 30.57 1f4h s PRO 527 CO 0.51 -0.66 0.00 0.41 -0.33 0.00 0.00 177.00 176.94 1f4h n GLY 528 N 3.61 2.90 3.70 0.52 0.00 -1.26 -5.04 105.19 109.62 1f4h n GLY 528 Ca 0.14 -0.45 -0.43 0.00 0.00 0.00 0.00 46.02 45.27 1f4h n GLY 528 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1f4h n GLU 529 N 0.00 2.35 0.00 1.61 4.07 -1.08 -4.84 120.64 122.75 1f4h n GLU 529 Ca 0.00 0.84 0.00 0.00 -0.06 0.00 0.00 57.16 57.94 1f4h n GLU 529 Cb 0.00 -2.56 0.00 0.00 -0.06 0.00 0.00 31.44 28.82 1f4h n GLU 529 CO 0.00 0.00 0.00 0.25 -0.06 0.00 0.00 177.13 177.32 1f4h n THR 530 N 2.18 0.00 -1.96 6.31 -2.24 -1.26 -4.78 114.28 112.53 1f4h n THR 530 Ca 0.11 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.60 1f4h n THR 530 Cb 0.34 0.85 0.07 0.00 -2.10 0.00 0.00 70.33 69.49 1f4h n THR 530 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1f4h s ARG 531 N 0.00 2.27 0.71 -0.78 0.52 -1.26 -3.77 118.95 116.63 1f4h s ARG 531 Ca 0.00 0.15 -0.11 0.00 -0.52 0.00 0.00 55.73 55.24 1f4h s ARG 531 Cb 0.00 -2.01 0.01 0.00 0.52 0.00 0.00 34.95 33.47 1f4h s ARG 531 CO 0.00 -1.36 1.08 -1.25 0.02 0.00 0.00 175.30 173.78 1f4h s PRO 532 N -5.45 2.85 -0.12 3.54 0.04 -1.05 -4.82 135.00 129.99 1f4h s PRO 532 Ca 0.60 0.66 -0.00 0.00 0.04 0.00 0.00 61.00 62.30 1f4h s PRO 532 Cb -0.11 -2.00 0.03 0.00 0.04 0.00 0.00 34.50 32.45 1f4h s PRO 532 CO 0.49 -1.08 -0.09 -1.17 0.04 0.00 0.00 177.00 175.19 1f4h s LEU 533 N -5.45 1.32 -0.14 -3.56 2.96 0.25 -1.11 118.68 112.94 1f4h s LEU 533 Ca 0.58 -0.37 -0.01 0.00 -0.22 0.00 0.00 54.13 54.11 1f4h s LEU 533 Cb -0.12 -0.91 0.03 0.00 0.50 0.00 0.00 46.19 45.69 1f4h s LEU 533 CO 0.53 -0.11 -0.05 -0.63 -1.32 0.00 0.00 176.35 174.77 1f4h s ILE 534 N 1.66 1.00 0.28 6.68 1.01 -0.55 -1.85 121.20 129.43 1f4h s ILE 534 Ca 0.05 -0.44 -0.30 0.00 0.00 0.00 0.00 60.65 59.96 1f4h s ILE 534 Cb -0.13 -1.13 -0.10 0.00 0.01 0.00 0.00 42.46 41.11 1f4h s ILE 534 CO -0.09 0.22 1.46 -0.76 0.00 0.00 0.00 174.94 175.78 1f4h s LEU 535 N 1.70 4.38 0.09 2.97 1.02 -1.04 -4.13 118.68 123.67 1f4h s LEU 535 Ca 0.03 2.76 0.17 0.00 0.02 0.00 0.00 54.13 57.11 1f4h s LEU 535 Cb -0.14 -3.63 -0.11 0.00 0.02 0.00 0.00 46.19 42.33 1f4h s LEU 535 CO -0.08 -0.74 0.91 0.00 0.02 0.00 0.00 176.35 176.46 1f4h s GLU 537 N -2.95 0.44 -0.08 0.00 2.02 -1.24 -4.61 118.70 112.28 1f4h s GLU 537 Ca -0.02 0.53 -0.31 0.00 0.02 0.00 0.00 54.97 55.20 1f4h s GLU 537 Cb 0.09 0.21 0.12 0.00 0.10 0.00 0.00 34.13 34.64 1f4h s GLU 537 CO 0.80 -0.06 1.00 1.52 0.02 0.00 0.00 175.26 178.55 1f4h s TYR 538 N 0.24 -0.28 -1.03 1.61 -0.85 -1.14 -0.68 117.35 115.22 1f4h s TYR 538 Ca -0.00 0.21 -0.10 0.00 -0.52 0.00 0.00 57.07 56.65 1f4h s TYR 538 Cb -0.03 0.52 -0.03 0.00 0.38 0.00 0.00 41.96 42.80 1f4h s TYR 538 CO 0.00 -0.41 0.83 0.00 -1.52 0.00 0.00 175.55 174.45 1f4h n ALA 539 N -0.09 -2.53 -1.59 9.51 0.00 -1.26 -2.01 120.51 122.54 1f4h n ALA 539 Ca -0.06 -0.04 -0.42 0.00 0.00 0.00 0.00 53.44 52.92 1f4h n ALA 539 Cb 0.60 -4.32 -0.03 0.00 0.00 0.00 0.00 19.45 15.70 1f4h n ALA 539 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 1f4h n HIS 540 N -3.34 1.88 -0.59 0.00 -0.00 -0.27 -4.06 115.22 108.84 1f4h n HIS 540 Ca -0.08 -0.08 -0.13 0.00 0.46 0.00 0.00 57.72 57.89 1f4h n HIS 540 Cb 0.59 -2.71 0.04 0.00 -0.12 0.00 0.00 29.99 27.80 1f4h n HIS 540 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1f4h n ALA 541 N 12.25 4.63 -2.43 1.57 0.00 -0.02 -4.52 120.51 131.99 1f4h n ALA 541 Ca 0.31 -1.33 -0.42 0.00 0.00 0.00 0.00 53.44 52.01 1f4h n ALA 541 Cb 0.45 -1.28 -0.03 0.00 0.00 0.00 0.00 19.45 18.60 1f4h n ALA 541 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 1f4h s MET 542 N -1.47 3.32 7.05 0.00 1.75 -1.26 -3.94 119.30 124.75 1f4h s MET 542 Ca 0.25 0.37 0.00 0.00 -1.25 0.00 0.00 55.69 55.06 1f4h s MET 542 Cb 0.20 -4.11 0.00 0.00 2.84 0.00 0.00 34.83 33.76 1f4h s MET 542 CO 0.01 -1.92 0.00 0.41 -0.65 0.00 0.00 175.02 172.87 1f4h n GLY 543 N 5.24 2.06 3.52 2.11 0.00 -1.26 -4.28 105.19 112.58 1f4h n GLY 543 Ca 0.11 -0.38 -0.42 0.00 0.00 0.00 0.00 46.02 45.33 1f4h n GLY 543 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1f4h s ASN 544 N -4.00 6.35 0.28 1.61 3.84 -1.26 -4.91 114.94 116.84 1f4h s ASN 544 Ca 0.00 -1.14 0.04 0.00 0.21 0.00 0.00 52.86 51.97 1f4h s ASN 544 Cb 0.00 -2.51 -0.01 0.00 -0.55 0.00 0.00 41.25 38.18 1f4h s ASN 544 CO 0.00 -1.53 0.28 -0.24 -2.79 0.00 0.00 177.10 172.83 1f4h n SER 545 N 8.41 -0.74 0.00 -4.21 2.88 -1.26 -4.59 113.62 114.10 1f4h n SER 545 Ca 0.14 -2.71 0.00 0.00 -1.33 0.00 0.00 58.87 54.97 1f4h n SER 545 Cb 0.49 1.58 0.00 0.00 -0.75 0.00 0.00 64.21 65.53 1f4h n SER 545 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1f4h n LEU 546 N 0.00 0.00 -4.69 2.46 4.32 -1.22 -4.81 117.00 113.06 1f4h n LEU 546 Ca 0.05 0.00 -0.42 0.00 -0.02 0.00 0.00 56.01 55.61 1f4h n LEU 546 Cb 0.49 -0.12 -0.03 0.00 -1.62 0.00 0.00 43.42 42.14 1f4h n LEU 546 CO 0.25 0.00 0.90 -0.83 -1.22 0.00 0.00 177.39 176.49 1f4h s GLY 547 N -2.14 2.24 0.00 -0.72 0.00 -0.44 -2.75 107.32 103.51 1f4h s GLY 547 Ca 0.00 0.61 0.00 0.00 0.00 0.00 0.00 44.72 45.33 1f4h s GLY 547 CO 0.00 2.11 0.00 0.61 0.00 0.00 0.00 173.10 175.82 1f4h n GLY 548 N 3.27 0.33 0.30 0.20 0.00 -0.38 -4.41 105.19 104.49 1f4h n GLY 548 Ca 0.10 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.23 1f4h n GLY 548 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1f4h h PHE 549 N 0.00 0.30 -0.86 1.61 3.57 -1.76 0.45 116.94 120.26 1f4h h PHE 549 Ca 0.00 0.05 0.07 0.00 3.53 0.00 0.00 57.97 61.62 1f4h h PHE 549 Cb 0.00 0.00 -0.07 0.00 2.79 0.00 0.00 35.95 38.68 1f4h h PHE 549 CO 0.00 -0.19 0.52 0.00 -2.23 0.00 0.00 178.31 176.41 1f4h h ALA 550 N 1.75 1.20 -0.30 2.41 0.00 -1.91 -1.15 119.26 121.26 1f4h h ALA 550 Ca 0.52 0.00 0.07 0.00 0.00 0.00 0.00 54.91 55.50 1f4h h ALA 550 Cb 1.01 -0.21 -0.08 0.00 0.00 0.00 0.00 17.79 18.51 1f4h h ALA 550 CO -0.64 0.23 -0.22 0.87 0.00 0.00 0.00 179.25 179.50 1f4h h LYS 551 N 0.93 -0.19 -0.13 0.00 1.57 -0.50 0.21 116.57 118.46 1f4h h LYS 551 Ca 0.39 0.01 0.04 0.00 -1.87 0.00 0.00 60.65 59.22 1f4h h LYS 551 Cb 0.23 0.04 -0.07 0.00 0.08 0.00 0.00 32.23 32.52 1f4h h LYS 551 CO -0.20 -0.12 -0.39 1.88 -0.57 0.00 0.00 179.45 180.05 1f4h h TYR 552 N -0.19 -1.10 -0.76 -1.35 -1.99 -0.95 -1.84 116.97 108.79 1f4h h TYR 552 Ca 0.16 0.04 0.18 0.00 2.00 0.00 0.00 58.73 61.11 1f4h h TYR 552 Cb 0.44 0.50 -0.12 0.00 2.00 0.00 0.00 36.73 39.55 1f4h h TYR 552 CO -0.41 -0.45 0.13 -1.49 -0.00 0.00 0.00 178.16 175.94 1f4h h TRP 553 N -0.46 0.18 -0.79 4.88 4.06 -0.13 -2.34 115.95 121.35 1f4h h TRP 553 Ca 0.08 0.05 0.10 0.00 2.06 0.00 0.00 58.89 61.18 1f4h h TRP 553 Cb 0.60 0.04 -0.08 0.00 -1.00 0.00 0.00 29.16 28.73 1f4h h TRP 553 CO -0.46 -0.16 0.43 0.37 -3.56 0.00 0.00 178.44 175.06 1f4h h GLN 554 N 0.20 0.68 0.02 0.49 4.15 0.19 -2.66 115.11 118.18 1f4h h GLN 554 Ca 0.44 -0.04 -0.00 0.00 0.77 0.00 0.00 58.65 59.81 1f4h h GLN 554 Cb 0.78 -0.15 0.00 0.00 0.21 0.00 0.00 27.48 28.31 1f4h h GLN 554 CO -0.58 0.45 -0.01 0.00 -1.93 0.00 0.00 178.83 176.76 1f4h h ALA 555 N 1.47 -0.02 -0.80 3.38 0.00 -1.26 -1.46 119.26 120.56 1f4h h ALA 555 Ca 0.39 -0.13 0.16 0.00 0.00 0.00 0.00 54.91 55.33 1f4h h ALA 555 Cb 0.42 0.01 -0.15 0.00 0.00 0.00 0.00 17.79 18.06 1f4h h ALA 555 CO -0.27 -0.39 -0.21 0.74 0.00 0.00 0.00 179.25 179.12 1f4h h PHE 556 N -0.28 -0.45 0.00 0.00 0.05 -1.22 1.21 116.94 116.24 1f4h h PHE 556 Ca -0.00 0.07 -0.05 0.00 3.82 0.00 0.00 57.97 61.81 1f4h h PHE 556 Cb 0.27 0.32 -0.01 0.00 2.00 0.00 0.00 35.95 38.53 1f4h h PHE 556 CO 0.01 -0.35 -0.25 0.00 -0.18 0.00 0.00 178.31 177.54 1f4h h ARG 557 N -0.01 0.00 0.06 1.51 3.08 -1.40 -3.28 114.38 114.36 1f4h h ARG 557 Ca 0.38 0.00 -0.36 0.00 0.07 0.00 0.00 59.98 60.07 1f4h h ARG 557 Cb 0.58 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.60 1f4h h ARG 557 CO -0.82 0.25 -2.08 0.94 -1.07 0.00 0.00 179.97 177.19 1f4h n GLN 558 N -3.64 0.69 -3.32 0.04 7.27 0.67 -4.85 117.38 114.24 1f4h n GLN 558 Ca -0.01 0.27 -0.44 0.00 0.07 0.00 0.00 57.00 56.90 1f4h n GLN 558 Cb 0.38 -1.64 -0.08 0.00 2.41 0.00 0.00 30.24 31.31 1f4h n GLN 558 CO 0.00 0.00 0.00 0.71 0.07 0.00 0.00 177.06 177.84 1f4h s TYR 559 N -2.52 3.17 0.31 3.69 1.51 0.38 -4.98 117.35 118.92 1f4h s TYR 559 Ca -0.28 -0.63 0.05 0.00 -1.01 0.00 0.00 57.07 55.20 1f4h s TYR 559 Cb 0.08 -3.11 0.85 0.00 -0.11 0.00 0.00 41.96 39.66 1f4h s TYR 559 CO 0.68 -0.80 1.59 -1.35 -1.11 0.00 0.00 175.55 174.56 1f4h h PRO 560 N 8.79 0.06 0.00 -1.71 0.11 -1.85 0.22 132.00 137.62 1f4h h PRO 560 Ca -0.27 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 1f4h h PRO 560 Cb 1.11 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1f4h h PRO 560 CO 0.86 0.04 0.00 0.54 -0.21 0.00 0.00 178.00 179.23 1f4h n ARG 561 N -5.37 0.11 -2.91 1.05 1.74 -1.26 -4.37 116.66 105.64 1f4h n ARG 561 Ca 0.25 0.03 -0.44 0.00 -0.77 0.00 0.00 57.85 56.93 1f4h n ARG 561 Cb 0.83 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.74 1f4h n ARG 561 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1f4h s LEU 562 N -2.88 4.96 -0.69 0.55 1.43 0.76 0.86 118.68 123.66 1f4h s LEU 562 Ca 0.17 -1.91 -0.01 0.00 -1.03 0.00 0.00 54.13 51.35 1f4h s LEU 562 Cb 0.18 -2.40 0.41 0.00 0.03 0.00 0.00 46.19 44.41 1f4h s LEU 562 CO 0.47 -1.11 1.93 0.00 0.23 0.00 0.00 176.35 177.87 1f4h n GLN 563 N 6.71 2.82 0.00 1.70 6.02 -0.77 -4.55 117.38 129.31 1f4h n GLN 563 Ca 0.21 -3.50 0.00 0.00 -0.01 0.00 0.00 57.00 53.70 1f4h n GLN 563 Cb 0.49 -2.28 0.00 0.00 1.02 0.00 0.00 30.24 29.47 1f4h n GLN 563 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1f4h n GLY 564 N -0.75 -1.41 3.80 1.08 0.00 -1.26 -1.60 105.19 105.05 1f4h n GLY 564 Ca 0.57 -1.34 -0.01 0.00 0.00 0.00 0.00 46.02 45.24 1f4h n GLY 564 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1f4h s GLY 565 N 0.00 -0.17 -0.21 -0.02 0.00 -0.75 -2.51 107.32 103.66 1f4h s GLY 565 Ca 0.00 0.15 -0.04 0.00 0.00 0.00 0.00 44.72 44.82 1f4h s GLY 565 CO 0.00 1.81 -0.02 -1.36 0.00 0.00 0.00 173.10 173.52 1f4h s PHE 566 N -2.46 2.98 0.48 1.90 0.40 -0.70 -1.63 117.98 118.95 1f4h s PHE 566 Ca 0.19 -0.74 -0.20 0.00 -0.60 0.00 0.00 56.93 55.58 1f4h s PHE 566 Cb 0.00 -2.10 -0.09 0.00 0.51 0.00 0.00 43.02 41.34 1f4h s PHE 566 CO 0.01 -0.43 1.02 0.08 0.70 0.00 0.00 175.22 176.59 1f4h s VAL 567 N 1.32 3.95 -0.21 -0.44 1.01 -0.05 -2.88 120.40 123.11 1f4h s VAL 567 Ca 0.04 1.19 -0.03 0.00 0.00 0.00 0.00 61.98 63.18 1f4h s VAL 567 Cb -0.14 -3.49 -0.00 0.00 0.00 0.00 0.00 36.38 32.75 1f4h s VAL 567 CO -0.01 -0.29 -0.08 0.86 0.00 0.00 0.00 175.10 175.58 1f4h s TRP 568 N -2.07 2.91 0.10 5.22 -0.11 -0.85 -1.15 118.94 122.99 1f4h s TRP 568 Ca 0.66 -1.10 0.01 0.00 1.22 0.00 0.00 56.10 56.89 1f4h s TRP 568 Cb -0.14 -2.06 -0.00 0.00 -1.50 0.00 0.00 33.47 29.76 1f4h s TRP 568 CO 0.20 -0.60 0.05 -0.40 -4.62 0.00 0.00 176.95 171.57 1f4h n ASP 569 N 4.73 0.66 0.00 5.86 3.85 0.19 -0.84 116.55 131.00 1f4h n ASP 569 Ca -0.19 -1.56 -0.00 0.00 -0.71 0.00 0.00 54.79 52.33 1f4h n ASP 569 Cb 0.51 0.32 -0.00 0.00 -1.35 0.00 0.00 41.12 40.59 1f4h n ASP 569 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.20 175.94 1f4h h TRP 570 N 1.20 -0.01 -2.27 2.11 -0.00 -1.37 -2.31 115.95 113.31 1f4h h TRP 570 Ca -0.08 -0.00 -0.52 0.00 -0.00 0.00 0.00 58.89 58.30 1f4h h TRP 570 Cb 0.31 0.00 -0.06 0.00 -0.00 0.00 0.00 29.16 29.42 1f4h h TRP 570 CO 0.00 -0.00 -0.54 0.08 -0.00 0.00 0.00 178.44 177.97 1f4h s VAL 571 N -1.93 4.37 -0.16 2.65 1.01 -1.26 0.12 120.40 125.20 1f4h s VAL 571 Ca -0.00 -1.40 -0.29 0.00 0.00 0.00 0.00 61.98 60.29 1f4h s VAL 571 Cb 0.00 -3.34 -0.01 0.00 0.00 0.00 0.00 36.38 33.03 1f4h s VAL 571 CO 0.00 -0.32 1.21 -1.81 0.00 0.00 0.00 175.10 174.18 1f4h s ASP 572 N -3.72 6.99 0.00 3.32 1.11 -0.96 -3.96 116.67 119.45 1f4h s ASP 572 Ca 0.32 1.64 -0.04 0.00 0.18 0.00 0.00 52.55 54.66 1f4h s ASP 572 Cb -0.08 -2.54 -0.16 0.00 1.07 0.00 0.00 42.92 41.21 1f4h s ASP 572 CO 0.24 -0.72 2.90 0.00 1.18 0.00 0.00 175.17 178.78 1f4h n GLN 573 N 6.35 1.55 -3.36 8.23 6.02 -0.82 -4.30 117.38 131.06 1f4h n GLN 573 Ca 0.13 -0.59 -0.30 0.00 -0.01 0.00 0.00 57.00 56.23 1f4h n GLN 573 Cb 0.45 -1.61 -0.04 0.00 1.02 0.00 0.00 30.24 30.06 1f4h n GLN 573 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 1f4h s SER 574 N 2.02 6.53 0.32 1.08 1.04 -1.26 -4.72 113.70 118.70 1f4h s SER 574 Ca 0.39 0.82 0.09 0.00 0.48 0.00 0.00 55.95 57.74 1f4h s SER 574 Cb 0.19 -2.19 -0.05 0.00 0.10 0.00 0.00 66.02 64.07 1f4h s SER 574 CO 0.00 -0.14 0.02 -0.76 0.98 0.00 0.00 173.24 173.34 1f4h s LEU 575 N -3.22 3.08 -0.29 2.42 1.43 -0.09 -4.44 118.68 117.57 1f4h s LEU 575 Ca 0.46 -0.85 -0.16 0.00 -1.03 0.00 0.00 54.13 52.54 1f4h s LEU 575 Cb -0.11 -1.52 -0.03 0.00 0.03 0.00 0.00 46.19 44.57 1f4h s LEU 575 CO 0.26 -0.17 0.44 -0.63 0.23 0.00 0.00 176.35 176.48 1f4h s ILE 576 N -2.45 5.11 0.30 -0.59 -1.09 -1.12 0.14 121.20 121.51 1f4h s ILE 576 Ca 0.34 0.58 0.08 0.00 -2.23 0.00 0.00 60.65 59.42 1f4h s ILE 576 Cb -0.03 -3.79 -0.03 0.00 -1.58 0.00 0.00 42.46 37.03 1f4h s ILE 576 CO 0.20 0.05 0.20 -0.54 -1.23 0.00 0.00 174.94 173.62 1f4h s LYS 577 N 2.20 2.69 0.00 2.79 1.02 0.11 -4.86 119.74 123.68 1f4h s LYS 577 Ca 0.17 -1.26 0.08 0.00 0.02 0.00 0.00 55.97 54.98 1f4h s LYS 577 Cb -0.16 -2.42 -0.02 0.00 -0.52 0.00 0.00 37.83 34.71 1f4h s LYS 577 CO 0.10 0.24 -0.25 0.71 -0.92 0.00 0.00 175.35 175.23 1f4h s TYR 578 N -2.27 2.23 0.56 3.18 1.51 -1.25 0.10 117.35 121.42 1f4h s TYR 578 Ca 0.36 -0.42 0.02 0.00 -1.01 0.00 0.00 57.07 56.03 1f4h s TYR 578 Cb -0.06 -1.40 0.11 0.00 -0.11 0.00 0.00 41.96 40.49 1f4h s TYR 578 CO 0.25 0.02 0.76 -0.40 -1.11 0.00 0.00 175.55 175.07 1f4h n ASP 579 N 2.22 1.25 -0.06 2.29 5.68 0.33 -4.88 116.55 123.38 1f4h n ASP 579 Ca -0.16 -2.00 -0.10 0.00 -0.50 0.00 0.00 54.79 52.02 1f4h n ASP 579 Cb 0.52 -0.47 -0.04 0.00 -1.14 0.00 0.00 41.12 39.98 1f4h n ASP 579 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 1f4h h GLU 580 N 0.00 -0.35 0.00 0.11 4.11 -2.01 0.71 114.58 117.15 1f4h h GLU 580 Ca -0.25 0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.20 1f4h h GLU 580 Cb 0.99 0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.32 1f4h h GLU 580 CO 0.29 -0.24 0.00 0.27 0.07 0.00 0.00 179.01 179.41 1f4h n ASN 581 N -5.42 0.00 -0.51 3.06 6.94 -1.26 -4.87 115.26 113.20 1f4h n ASN 581 Ca -0.02 -1.23 0.00 0.00 -0.02 0.00 0.00 54.58 53.31 1f4h n ASN 581 Cb 0.34 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.76 1f4h n ASN 581 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1f4h n GLY 582 N 0.73 0.88 3.67 4.83 0.00 0.24 -5.08 105.19 110.46 1f4h n GLY 582 Ca 0.15 -0.57 -0.31 0.00 0.00 0.00 0.00 46.02 45.30 1f4h n GLY 582 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1f4h s ASN 583 N -2.86 4.95 0.29 1.61 0.01 -1.26 -4.83 114.94 112.85 1f4h s ASN 583 Ca 0.00 -0.16 -0.03 0.00 -0.71 0.00 0.00 52.86 51.96 1f4h s ASN 583 Cb 0.00 -1.18 -0.05 0.00 0.41 0.00 0.00 41.25 40.44 1f4h s ASN 583 CO 0.00 0.21 0.53 -2.16 -1.51 0.00 0.00 177.10 174.16 1f4h s PRO 584 N -2.07 3.58 -0.27 -0.60 0.04 -1.26 0.12 135.00 134.54 1f4h s PRO 584 Ca 0.23 -0.13 -0.22 0.00 0.04 0.00 0.00 61.00 60.93 1f4h s PRO 584 Cb -0.12 -2.68 0.08 0.00 0.04 0.00 0.00 34.50 31.82 1f4h s PRO 584 CO 0.15 0.23 0.74 1.67 0.04 0.00 0.00 177.00 179.83 1f4h s TRP 585 N -2.11 -0.85 0.10 0.56 1.48 0.29 -4.92 118.94 113.49 1f4h s TRP 585 Ca 0.42 1.92 -0.31 0.00 -1.06 0.00 0.00 56.10 57.07 1f4h s TRP 585 Cb -0.10 0.40 -0.10 0.00 -1.16 0.00 0.00 33.47 32.51 1f4h s TRP 585 CO 0.31 -0.41 1.80 -1.12 -4.06 0.00 0.00 176.95 173.47 1f4h s SER 586 N 0.81 6.46 0.41 -2.66 0.01 -1.26 0.05 113.70 117.53 1f4h s SER 586 Ca -0.03 2.69 0.07 0.00 1.31 0.00 0.00 55.95 59.99 1f4h s SER 586 Cb -0.05 -2.56 -0.06 0.00 0.21 0.00 0.00 66.02 63.56 1f4h s SER 586 CO -0.07 -0.98 0.14 0.00 0.41 0.00 0.00 173.24 172.74 1f4h s ALA 587 N 2.84 3.50 0.32 1.44 0.00 0.37 -4.88 121.76 125.34 1f4h s ALA 587 Ca 0.80 -2.14 -0.09 0.00 0.00 0.00 0.00 51.96 50.52 1f4h s ALA 587 Cb -0.44 -0.25 0.04 0.00 0.00 0.00 0.00 23.12 22.47 1f4h s ALA 587 CO 0.36 -0.16 0.59 2.48 0.00 0.00 0.00 175.76 179.03 1f4h n TYR 588 N -1.18 -1.92 -0.79 0.00 0.18 -1.26 -0.91 117.16 111.28 1f4h n TYR 588 Ca -0.02 -1.66 -0.31 0.00 1.88 0.00 0.00 57.90 57.79 1f4h n TYR 588 Cb 0.65 0.69 -0.04 0.00 -0.38 0.00 0.00 39.34 40.26 1f4h n TYR 588 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 1f4h n GLY 589 N -0.46 -0.08 0.81 -7.48 0.00 -1.01 -2.08 105.19 94.89 1f4h n GLY 589 Ca -0.05 0.41 0.00 0.00 0.00 0.00 0.00 46.02 46.38 1f4h n GLY 589 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1f4h n GLY 590 N 1.07 3.18 0.00 -0.02 0.00 -1.26 -3.84 105.19 104.32 1f4h n GLY 590 Ca 0.11 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.25 1f4h n GLY 590 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1f4h n ASP 591 N 0.09 0.00 -1.01 1.61 8.00 -0.89 -2.30 116.55 122.06 1f4h n ASP 591 Ca 0.00 0.11 0.08 0.00 0.71 0.00 0.00 54.79 55.68 1f4h n ASP 591 Cb 0.00 -0.34 0.26 0.00 -0.02 0.00 0.00 41.12 41.02 1f4h n ASP 591 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1f4h n PHE 592 N -1.34 1.00 -1.42 1.24 3.01 -1.26 -4.91 117.46 113.77 1f4h n PHE 592 Ca 0.09 -0.74 -0.10 0.00 1.01 0.00 0.00 57.45 57.71 1f4h n PHE 592 Cb 0.21 -0.26 -0.04 0.00 -0.01 0.00 0.00 39.48 39.38 1f4h n PHE 592 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1f4h n GLY 593 N 0.03 1.03 3.74 1.37 0.00 -0.97 -4.78 105.19 105.61 1f4h n GLY 593 Ca 0.20 -0.54 -0.42 0.00 0.00 0.00 0.00 46.02 45.27 1f4h n GLY 593 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1f4h s ASP 594 N -2.84 6.62 -0.10 1.61 -4.77 -1.24 -5.02 116.67 110.93 1f4h s ASP 594 Ca 0.00 2.66 -0.04 0.00 -3.30 0.00 0.00 52.55 51.87 1f4h s ASP 594 Cb 0.00 -2.61 0.05 0.00 -1.09 0.00 0.00 42.92 39.26 1f4h s ASP 594 CO 0.00 -0.75 0.21 -0.89 0.70 0.00 0.00 175.17 174.44 1f4h s THR 595 N 0.38 -0.13 0.65 2.11 2.01 -1.26 -3.90 115.64 115.51 1f4h s THR 595 Ca 0.63 0.20 -0.07 0.00 0.31 0.00 0.00 61.69 62.76 1f4h s THR 595 Cb -0.43 -0.34 0.03 0.00 0.01 0.00 0.00 72.50 71.77 1f4h s THR 595 CO 0.39 0.08 0.98 -2.16 -0.69 0.00 0.00 174.62 173.23 1f4h s PRO 596 N 1.53 2.62 0.05 4.92 0.04 -1.26 -5.06 135.00 137.84 1f4h s PRO 596 Ca -0.06 -0.02 -0.01 0.00 0.04 0.00 0.00 61.00 60.95 1f4h s PRO 596 Cb -0.11 -2.19 -0.04 0.00 0.04 0.00 0.00 34.50 32.20 1f4h s PRO 596 CO -0.08 -0.97 -0.03 0.54 0.04 0.00 0.00 177.00 176.50 1f4h s ASN 597 N -4.40 0.48 -0.36 6.66 4.22 -1.25 -4.57 114.94 115.73 1f4h s ASN 597 Ca 0.57 -0.88 0.08 0.00 -2.14 0.00 0.00 52.86 50.50 1f4h s ASN 597 Cb -0.11 0.17 0.69 0.00 1.28 0.00 0.00 41.25 43.28 1f4h s ASN 597 CO 0.46 -0.51 1.80 0.47 -2.04 0.00 0.00 177.10 177.27 1f4h n ASP 598 N 0.47 4.21 0.00 3.54 10.43 -0.28 -4.86 116.55 130.06 1f4h n ASP 598 Ca -0.16 -3.40 0.00 0.00 2.57 0.00 0.00 54.79 53.80 1f4h n ASP 598 Cb 0.59 -0.76 0.00 0.00 1.84 0.00 0.00 41.12 42.80 1f4h n ASP 598 CO 0.00 0.00 0.00 -2.11 -1.07 0.00 0.00 177.20 174.02 1f4h n ARG 599 N -0.60 0.00 0.00 -1.24 1.85 -1.25 -1.11 116.66 114.31 1f4h n ARG 599 Ca 0.46 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 57.31 1f4h n ARG 599 Cb 1.43 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 32.84 1f4h n ARG 599 CO 0.00 0.00 0.00 1.04 -0.01 0.00 0.00 177.63 178.66 1f4h n GLN 600 N 14.00 0.00 0.30 2.89 3.00 -1.26 -2.39 117.38 133.92 1f4h n GLN 600 Ca 0.00 0.06 0.18 0.00 -0.01 0.00 0.00 57.00 57.23 1f4h n GLN 600 Cb 0.00 -1.51 0.95 0.00 0.00 0.00 0.00 30.24 29.68 1f4h n GLN 600 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.06 177.80 1f4h h PHE 601 N 0.00 0.00 0.00 1.08 -1.00 -1.51 -2.53 116.94 112.98 1f4h h PHE 601 Ca 0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 1f4h h PHE 601 Cb 0.02 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.58 1f4h h PHE 601 CO 0.00 0.03 0.00 0.00 -1.61 0.00 0.00 178.31 176.73 1f4h s MET 603 N -3.31 2.65 -0.09 0.00 -1.94 -0.95 -1.95 119.30 113.70 1f4h s MET 603 Ca 0.05 -2.29 0.13 0.00 -1.71 0.00 0.00 55.69 51.87 1f4h s MET 603 Cb 0.10 -3.86 0.22 0.00 2.01 0.00 0.00 34.83 33.30 1f4h s MET 603 CO 0.43 -1.18 1.11 0.09 -0.01 0.00 0.00 175.02 175.46 1f4h n ASN 604 N 3.97 1.58 -4.92 3.03 3.02 -1.26 -4.18 115.26 116.49 1f4h n ASN 604 Ca 0.05 -2.81 -0.26 0.00 -0.03 0.00 0.00 54.58 51.53 1f4h n ASN 604 Cb 0.40 -0.37 0.06 0.00 -0.61 0.00 0.00 39.78 39.26 1f4h n ASN 604 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1f4h s GLY 605 N -2.34 1.66 0.06 7.41 0.00 -1.25 -0.64 107.32 112.21 1f4h s GLY 605 Ca 0.24 -0.83 0.19 0.00 0.00 0.00 0.00 44.72 44.31 1f4h s GLY 605 CO 0.01 -0.45 0.76 1.04 0.00 0.00 0.00 173.10 174.46 1f4h n LEU 606 N -2.88 0.67 -4.34 0.66 4.77 0.33 -4.71 117.00 111.51 1f4h n LEU 606 Ca 0.07 0.28 -0.25 0.00 -0.03 0.00 0.00 56.01 56.09 1f4h n LEU 606 Cb 0.60 0.07 -0.12 0.00 -2.33 0.00 0.00 43.42 41.64 1f4h n LEU 606 CO 0.53 0.08 -0.52 0.68 -1.33 0.00 0.00 177.39 176.83 1f4h s VAL 607 N -3.06 1.95 1.32 4.08 -7.23 -0.84 -0.22 120.40 116.39 1f4h s VAL 607 Ca -0.04 -1.75 -0.21 0.00 -1.81 0.00 0.00 61.98 58.17 1f4h s VAL 607 Cb 0.09 -1.80 0.33 0.00 0.56 0.00 0.00 36.38 35.56 1f4h s VAL 607 CO 0.82 -0.10 1.03 -0.36 -0.31 0.00 0.00 175.10 176.18 1f4h s PHE 608 N -1.42 -0.17 0.15 2.82 0.40 0.57 -2.26 117.98 118.06 1f4h s PHE 608 Ca 0.12 0.49 0.25 0.00 -0.60 0.00 0.00 56.93 57.20 1f4h s PHE 608 Cb -0.09 -3.21 1.01 0.00 0.51 0.00 0.00 43.02 41.25 1f4h s PHE 608 CO 0.06 -4.47 1.86 0.00 0.70 0.00 0.00 175.22 173.37 1f4h h ALA 609 N -3.03 1.04 -0.05 5.36 0.00 -1.87 -2.56 119.26 118.15 1f4h h ALA 609 Ca -0.43 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.30 1f4h h ALA 609 Cb 1.31 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1f4h h ALA 609 CO 0.29 0.24 0.00 -0.40 0.00 0.00 0.00 179.25 179.38 1f4h n ASP 610 N -3.38 0.28 -1.80 0.00 5.75 -1.26 -4.51 116.55 111.62 1f4h n ASP 610 Ca 0.00 -1.92 -0.15 0.00 -0.01 0.00 0.00 54.79 52.71 1f4h n ASP 610 Cb 0.40 -0.03 -0.00 0.00 -1.03 0.00 0.00 41.12 40.46 1f4h n ASP 610 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1f4h n ARG 611 N -0.39 -1.55 -3.78 0.11 3.00 -0.96 -5.00 116.66 108.08 1f4h n ARG 611 Ca 0.04 0.72 -0.35 0.00 -0.01 0.00 0.00 57.85 58.25 1f4h n ARG 611 Cb 0.05 -5.06 -0.08 0.00 0.00 0.00 0.00 32.46 27.37 1f4h n ARG 611 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.63 178.58 1f4h s THR 612 N -2.79 5.32 0.63 0.55 -4.23 -1.26 -4.84 115.64 109.03 1f4h s THR 612 Ca 0.03 0.16 -0.18 0.00 -1.18 0.00 0.00 61.69 60.52 1f4h s THR 612 Cb -0.01 -3.42 -0.02 0.00 1.34 0.00 0.00 72.50 70.39 1f4h s THR 612 CO 0.04 0.46 1.28 -2.16 -0.54 0.00 0.00 174.62 173.69 1f4h s PRO 613 N 0.26 2.67 -0.06 3.99 0.04 -1.26 0.21 135.00 140.86 1f4h s PRO 613 Ca 0.08 2.02 -0.07 0.00 0.04 0.00 0.00 61.00 63.07 1f4h s PRO 613 Cb -0.11 -1.88 -0.04 0.00 0.04 0.00 0.00 34.50 32.50 1f4h s PRO 613 CO -0.01 -1.49 0.21 -1.01 0.04 0.00 0.00 177.00 174.73 1f4h s HIS 614 N -1.43 3.60 0.62 0.56 3.76 0.69 -4.69 115.29 118.40 1f4h s HIS 614 Ca 0.81 0.58 0.25 0.00 -0.15 0.00 0.00 55.06 56.55 1f4h s HIS 614 Cb -0.36 -1.98 1.21 0.00 1.11 0.00 0.00 32.58 32.56 1f4h s HIS 614 CO 0.38 0.68 1.66 -1.00 -0.85 0.00 0.00 174.74 175.62 1f4h h PRO 615 N 4.55 0.00 0.00 8.40 0.13 -1.95 0.77 132.00 143.90 1f4h h PRO 615 Ca -0.53 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.59 1f4h h PRO 615 Cb 1.22 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.34 1f4h h PRO 615 CO 0.62 0.00 -0.06 0.00 -0.23 0.00 0.00 178.00 178.33 1f4h h ALA 616 N 1.05 1.79 -0.86 -0.56 0.00 -1.87 -3.10 119.26 115.71 1f4h h ALA 616 Ca 0.22 -0.05 0.22 0.00 0.00 0.00 0.00 54.91 55.29 1f4h h ALA 616 Cb 1.60 -0.01 -0.13 0.00 0.00 0.00 0.00 17.79 19.25 1f4h h ALA 616 CO -0.00 0.07 0.28 1.25 0.00 0.00 0.00 179.25 180.84 1f4h h LEU 617 N 0.00 0.11 -0.83 0.00 5.85 -1.08 -0.36 115.31 119.00 1f4h h LEU 617 Ca -0.00 0.17 -0.07 0.00 0.84 0.00 0.00 57.88 58.83 1f4h h LEU 617 Cb 0.11 0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.32 1f4h h LEU 617 CO 0.01 -0.08 0.12 0.74 -0.34 0.00 0.00 178.44 178.89 1f4h h THR 618 N 0.28 1.25 -0.48 1.05 2.02 -1.76 0.13 112.91 115.41 1f4h h THR 618 Ca 0.53 -0.95 -0.03 0.00 0.77 0.00 0.00 66.41 66.73 1f4h h THR 618 Cb 1.02 0.64 -0.02 0.00 -1.74 0.00 0.00 68.15 68.05 1f4h h THR 618 CO -0.59 0.36 0.17 -0.08 0.37 0.00 0.00 175.52 175.75 1f4h h GLU 619 N 0.95 0.72 0.44 6.66 4.57 -1.22 -0.50 114.58 126.20 1f4h h GLU 619 Ca 0.20 -0.14 -0.02 0.00 -1.18 0.00 0.00 59.36 58.21 1f4h h GLU 619 Cb 0.38 -0.11 0.00 0.00 -0.16 0.00 0.00 28.75 28.86 1f4h h GLU 619 CO 0.01 0.66 -0.21 0.00 -1.18 0.00 0.00 179.01 178.29 1f4h h ALA 620 N 1.02 -0.59 -1.01 2.92 0.00 -1.29 0.04 119.26 120.36 1f4h h ALA 620 Ca 0.16 -0.17 0.24 0.00 0.00 0.00 0.00 54.91 55.13 1f4h h ALA 620 Cb 0.22 0.23 -0.12 0.00 0.00 0.00 0.00 17.79 18.12 1f4h h ALA 620 CO -0.01 -0.74 0.61 -0.22 0.00 0.00 0.00 179.25 178.89 1f4h h LYS 621 N -0.77 0.58 -0.00 0.00 3.64 -0.56 0.24 116.57 119.70 1f4h h LYS 621 Ca -0.06 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.28 1f4h h LYS 621 Cb 0.54 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.23 1f4h h LYS 621 CO 0.10 0.39 -0.01 1.25 -2.27 0.00 0.00 179.45 178.90 1f4h h HIS 622 N 0.60 0.02 -0.55 1.91 2.76 -0.93 -2.76 115.15 116.20 1f4h h HIS 622 Ca 0.63 -0.01 0.03 0.00 -2.20 0.00 0.00 60.37 58.82 1f4h h HIS 622 Cb 1.18 -0.00 -0.03 0.00 1.55 0.00 0.00 27.41 30.11 1f4h h HIS 622 CO -0.01 0.71 0.36 1.96 -1.30 0.00 0.00 177.93 179.66 1f4h h GLN 623 N -0.68 0.62 -0.09 5.26 1.08 -0.30 -1.94 115.11 119.06 1f4h h GLN 623 Ca -0.00 -0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.16 1f4h h GLN 623 Cb 0.71 -0.14 0.00 0.00 -0.05 0.00 0.00 27.48 28.00 1f4h h GLN 623 CO 0.00 0.41 0.00 1.04 -0.95 0.00 0.00 178.83 179.33 1f4h n GLN 624 N -4.47 1.86 -1.54 1.46 6.02 0.01 -4.98 117.38 115.74 1f4h n GLN 624 Ca 0.06 -1.27 -0.42 0.00 -0.01 0.00 0.00 57.00 55.36 1f4h n GLN 624 Cb 0.13 -1.46 0.01 0.00 1.02 0.00 0.00 30.24 29.94 1f4h n GLN 624 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1f4h n GLN 625 N 0.52 1.01 0.00 -1.09 10.64 -0.73 -4.91 117.38 122.81 1f4h n GLN 625 Ca 0.17 0.36 0.14 0.00 -1.83 0.00 0.00 57.00 55.85 1f4h n GLN 625 Cb 0.41 -1.79 0.69 0.00 -0.86 0.00 0.00 30.24 28.69 1f4h n GLN 625 CO 0.00 0.00 0.00 1.19 -1.83 0.00 0.00 177.06 176.42 1f4h n PHE 626 N -0.55 0.00 -4.73 2.61 3.01 -1.26 -4.76 117.46 111.78 1f4h n PHE 626 Ca 0.11 0.00 -0.26 0.00 1.01 0.00 0.00 57.45 58.31 1f4h n PHE 626 Cb 0.38 -0.38 -0.14 0.00 -0.01 0.00 0.00 39.48 39.32 1f4h n PHE 626 CO 0.00 0.00 0.00 -0.06 1.01 0.00 0.00 176.76 177.71 1f4h s PHE 627 N -2.77 1.79 0.11 1.38 0.40 -1.26 0.28 117.98 117.90 1f4h s PHE 627 Ca 0.22 -0.36 0.10 0.00 -0.60 0.00 0.00 56.93 56.28 1f4h s PHE 627 Cb 0.19 -1.09 -0.04 0.00 0.51 0.00 0.00 43.02 42.60 1f4h s PHE 627 CO 0.48 0.06 -0.25 -0.65 0.70 0.00 0.00 175.22 175.56 1f4h s GLN 628 N -0.98 1.57 0.15 0.44 -1.52 -0.12 -4.87 119.66 114.34 1f4h s GLN 628 Ca 0.07 -1.26 0.11 0.00 -1.95 0.00 0.00 55.36 52.33 1f4h s GLN 628 Cb -0.08 -1.97 -0.04 0.00 -0.22 0.00 0.00 33.01 30.70 1f4h s GLN 628 CO 0.01 0.47 -0.25 -0.06 -0.25 0.00 0.00 175.29 175.21 1f4h s PHE 629 N -1.02 2.34 -0.09 0.91 0.40 -1.26 -0.04 117.98 119.22 1f4h s PHE 629 Ca 0.14 -0.36 -0.05 0.00 -0.60 0.00 0.00 56.93 56.06 1f4h s PHE 629 Cb -0.10 -1.23 0.04 0.00 0.51 0.00 0.00 43.02 42.24 1f4h s PHE 629 CO 0.06 0.39 0.22 1.03 0.70 0.00 0.00 175.22 177.62 1f4h s ARG 630 N -2.26 0.19 -0.09 0.44 0.52 -0.37 -5.00 118.95 112.39 1f4h s ARG 630 Ca 0.17 0.44 0.01 0.00 -0.52 0.00 0.00 55.73 55.83 1f4h s ARG 630 Cb -0.09 -0.08 -0.02 0.00 0.52 0.00 0.00 34.95 35.27 1f4h s ARG 630 CO 0.08 -0.13 -0.11 -1.17 0.02 0.00 0.00 175.30 173.98 1f4h s LEU 631 N 0.98 2.89 -0.13 2.53 2.96 -1.26 -0.42 118.68 126.24 1f4h s LEU 631 Ca -0.07 -0.18 -0.04 0.00 -0.22 0.00 0.00 54.13 53.62 1f4h s LEU 631 Cb -0.09 -1.63 0.07 0.00 0.50 0.00 0.00 46.19 45.04 1f4h s LEU 631 CO -0.06 0.28 0.21 -0.55 -1.32 0.00 0.00 176.35 174.91 1f4h s SER 632 N -0.32 0.83 0.80 3.68 0.15 -0.03 -5.01 113.70 113.81 1f4h s SER 632 Ca 0.03 0.24 0.00 0.00 0.70 0.00 0.00 55.95 56.92 1f4h s SER 632 Cb -0.13 0.43 0.00 0.00 -1.71 0.00 0.00 66.02 64.61 1f4h s SER 632 CO 0.02 -0.27 0.00 0.61 1.20 0.00 0.00 173.24 174.81 1f4h n GLY 633 N 5.33 0.47 0.99 9.45 0.00 -1.26 0.54 105.19 120.70 1f4h n GLY 633 Ca -0.05 0.58 0.00 0.00 0.00 0.00 0.00 46.02 46.55 1f4h n GLY 633 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1f4h n GLN 634 N 0.00 0.00 -3.81 1.61 10.64 -1.26 -5.03 117.38 119.53 1f4h n GLN 634 Ca 0.00 -1.24 -0.36 0.00 -1.83 0.00 0.00 57.00 53.57 1f4h n GLN 634 Cb 0.00 -0.03 -0.13 0.00 -0.86 0.00 0.00 30.24 29.22 1f4h n GLN 634 CO 0.00 0.00 0.00 0.99 -1.83 0.00 0.00 177.06 176.22 1f4h s THR 635 N 0.00 4.02 -0.09 -0.39 2.01 0.19 0.16 115.64 121.53 1f4h s THR 635 Ca 0.13 -0.27 -0.13 0.00 0.31 0.00 0.00 61.69 61.73 1f4h s THR 635 Cb 0.15 -2.86 -0.05 0.00 0.01 0.00 0.00 72.50 69.75 1f4h s THR 635 CO -0.07 0.37 0.32 -0.63 -0.69 0.00 0.00 174.62 173.92 1f4h s ILE 636 N 1.56 5.24 -0.28 1.82 1.09 0.96 -0.85 121.20 130.74 1f4h s ILE 636 Ca 0.06 0.62 0.02 0.00 -1.10 0.00 0.00 60.65 60.25 1f4h s ILE 636 Cb -0.15 -3.63 0.06 0.00 -1.06 0.00 0.00 42.46 37.68 1f4h s ILE 636 CO 0.01 0.49 -0.06 -0.70 -0.10 0.00 0.00 174.94 174.58 1f4h s GLU 637 N -0.34 2.21 -0.24 2.79 2.12 0.44 0.30 118.70 125.98 1f4h s GLU 637 Ca 0.19 -1.39 -0.23 0.00 0.36 0.00 0.00 54.97 53.90 1f4h s GLU 637 Cb -0.14 -3.00 -0.01 0.00 0.26 0.00 0.00 34.13 31.24 1f4h s GLU 637 CO 0.08 -0.62 0.78 0.08 -0.54 0.00 0.00 175.26 175.03 1f4h s VAL 638 N 1.12 4.88 -0.13 3.70 1.01 -0.73 -1.23 120.40 129.02 1f4h s VAL 638 Ca -0.06 1.46 -0.06 0.00 0.00 0.00 0.00 61.98 63.32 1f4h s VAL 638 Cb -0.20 -4.07 -0.04 0.00 0.00 0.00 0.00 36.38 32.07 1f4h s VAL 638 CO -0.04 -0.04 0.08 -0.89 0.00 0.00 0.00 175.10 174.21 1f4h s THR 639 N 2.72 5.02 -0.19 3.92 2.01 0.95 -0.68 115.64 129.39 1f4h s THR 639 Ca 0.33 0.03 -0.10 0.00 0.31 0.00 0.00 61.69 62.25 1f4h s THR 639 Cb -0.15 -3.19 -0.05 0.00 0.01 0.00 0.00 72.50 69.12 1f4h s THR 639 CO 0.08 0.57 0.16 -0.55 -0.69 0.00 0.00 174.62 174.19 1f4h s SER 640 N -0.64 6.27 0.00 3.53 0.15 0.20 -0.94 113.70 122.27 1f4h s SER 640 Ca 0.12 0.30 0.22 0.00 0.70 0.00 0.00 55.95 57.28 1f4h s SER 640 Cb -0.12 -2.10 0.54 0.00 -1.71 0.00 0.00 66.02 62.62 1f4h s SER 640 CO 0.02 0.19 1.45 -0.62 1.20 0.00 0.00 173.24 175.48 1f4h n GLU 641 N 3.39 2.22 -2.34 5.44 1.02 0.14 -1.90 120.64 128.61 1f4h n GLU 641 Ca -0.16 -1.85 -0.37 0.00 -0.02 0.00 0.00 57.16 54.76 1f4h n GLU 641 Cb 0.52 -1.46 -0.02 0.00 -0.02 0.00 0.00 31.44 30.46 1f4h n GLU 641 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 1f4h s TYR 642 N -1.57 3.03 -0.24 -0.32 1.51 -1.26 -4.80 117.35 113.70 1f4h s TYR 642 Ca 0.36 1.57 0.03 0.00 -1.01 0.00 0.00 57.07 58.02 1f4h s TYR 642 Cb 0.20 -3.31 -0.17 0.00 -0.11 0.00 0.00 41.96 38.58 1f4h s TYR 642 CO 0.29 -1.22 -0.20 1.28 -1.11 0.00 0.00 175.55 174.59 1f4h n LEU 643 N -0.24 2.79 -0.11 -1.29 4.77 -1.26 -1.11 117.00 120.56 1f4h n LEU 643 Ca 0.06 -0.12 -0.17 0.00 -0.03 0.00 0.00 56.01 55.75 1f4h n LEU 643 Cb 0.48 -0.78 -0.10 0.00 -2.33 0.00 0.00 43.42 40.70 1f4h n LEU 643 CO 0.48 0.89 -1.23 0.49 -1.33 0.00 0.00 177.39 176.69 1f4h n PHE 644 N -3.19 0.00 -4.05 -1.77 0.99 -1.26 -4.77 117.46 103.42 1f4h n PHE 644 Ca -0.43 0.00 -0.26 0.00 -0.00 0.00 0.00 57.45 56.76 1f4h n PHE 644 Cb 0.97 -0.84 -0.05 0.00 -1.00 0.00 0.00 39.48 38.57 1f4h n PHE 644 CO 0.00 0.00 0.00 -0.98 -0.00 0.00 0.00 176.76 175.78 1f4h s ARG 645 N -2.44 3.03 0.21 -1.08 1.70 -1.26 -4.81 118.95 114.31 1f4h s ARG 645 Ca -0.30 -0.81 -0.11 0.00 -0.47 0.00 0.00 55.73 54.05 1f4h s ARG 645 Cb 0.08 -2.72 -0.07 0.00 -0.57 0.00 0.00 34.95 31.67 1f4h s ARG 645 CO 0.49 0.49 0.55 -1.58 -1.08 0.00 0.00 175.30 174.17 1f4h s HIS 646 N -1.75 3.46 -1.02 5.89 5.65 -1.26 -3.38 115.29 122.88 1f4h s HIS 646 Ca 0.32 0.91 -0.25 0.00 0.25 0.00 0.00 55.06 56.28 1f4h s HIS 646 Cb -0.10 -2.28 -0.18 0.00 -1.18 0.00 0.00 32.58 28.84 1f4h s HIS 646 CO 0.25 0.31 1.99 -1.13 -0.65 0.00 0.00 174.74 175.50 1f4h n SER 647 N 0.07 2.10 -1.61 9.88 3.41 -1.08 -4.66 113.62 121.73 1f4h n SER 647 Ca -0.01 -2.59 0.09 0.00 -0.26 0.00 0.00 58.87 56.10 1f4h n SER 647 Cb 0.52 -1.60 0.36 0.00 -0.26 0.00 0.00 64.21 63.24 1f4h n SER 647 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1f4h n ASP 648 N 16.00 4.95 -2.73 4.04 5.68 -1.26 -4.36 116.55 138.86 1f4h n ASP 648 Ca 0.44 -2.60 -0.08 0.00 -0.50 0.00 0.00 54.79 52.05 1f4h n ASP 648 Cb 0.46 -0.60 0.09 0.00 -1.14 0.00 0.00 41.12 39.93 1f4h n ASP 648 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 1f4h n ASN 649 N 0.90 -1.52 -3.67 -1.12 5.15 -1.26 -5.03 115.26 108.70 1f4h n ASN 649 Ca 0.26 -2.89 -0.12 0.00 -0.60 0.00 0.00 54.58 51.23 1f4h n ASN 649 Cb 0.96 1.03 -0.12 0.00 -0.53 0.00 0.00 39.78 41.13 1f4h n ASN 649 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 1f4h s GLU 650 N -0.29 0.22 -0.15 1.20 8.01 -1.24 -3.89 118.70 122.56 1f4h s GLU 650 Ca 0.24 0.79 -0.02 0.00 0.01 0.00 0.00 54.97 55.98 1f4h s GLU 650 Cb 0.37 0.04 -0.02 0.00 -4.31 0.00 0.00 34.13 30.21 1f4h s GLU 650 CO -0.06 -0.25 -0.08 -1.17 0.01 0.00 0.00 175.26 173.71 1f4h s LEU 651 N 2.20 2.99 -0.40 1.80 1.98 0.40 -1.42 118.68 126.23 1f4h s LEU 651 Ca -0.02 -0.24 -0.19 0.00 -2.89 0.00 0.00 54.13 50.79 1f4h s LEU 651 Cb -0.11 -1.70 0.01 0.00 0.66 0.00 0.00 46.19 45.04 1f4h s LEU 651 CO -0.10 0.15 0.55 -0.22 -1.89 0.00 0.00 176.35 174.85 1f4h s LEU 652 N 0.46 4.52 -0.04 -0.68 2.96 0.16 0.22 118.68 126.28 1f4h s LEU 652 Ca -0.06 -0.29 -0.12 0.00 -0.22 0.00 0.00 54.13 53.44 1f4h s LEU 652 Cb -0.15 -2.61 -0.05 0.00 0.50 0.00 0.00 46.19 43.88 1f4h s LEU 652 CO 0.04 -0.63 0.32 -2.28 -1.32 0.00 0.00 176.35 172.48 1f4h s HIS 653 N 2.52 3.68 0.33 5.38 5.65 0.10 -0.48 115.29 132.48 1f4h s HIS 653 Ca 0.19 0.84 0.04 0.00 0.25 0.00 0.00 55.06 56.38 1f4h s HIS 653 Cb -0.15 -2.19 -0.06 0.00 -1.18 0.00 0.00 32.58 29.00 1f4h s HIS 653 CO 0.16 0.66 0.06 1.67 -0.65 0.00 0.00 174.74 176.64 1f4h s TRP 654 N -1.00 1.95 -0.22 3.88 1.48 -1.26 -0.88 118.94 122.89 1f4h s TRP 654 Ca 0.21 -0.99 -0.32 0.00 -1.06 0.00 0.00 56.10 53.94 1f4h s TRP 654 Cb -0.15 -1.28 0.15 0.00 -1.16 0.00 0.00 33.47 31.04 1f4h s TRP 654 CO 0.10 -0.01 1.23 1.41 -4.06 0.00 0.00 176.95 175.61 1f4h s MET 655 N -3.88 0.27 -0.02 3.25 1.75 0.20 -2.72 119.30 118.16 1f4h s MET 655 Ca 0.35 -0.03 0.01 0.00 -1.25 0.00 0.00 55.69 54.78 1f4h s MET 655 Cb 0.08 0.13 0.01 0.00 2.84 0.00 0.00 34.83 37.88 1f4h s MET 655 CO 0.15 -0.10 -0.04 0.08 -0.65 0.00 0.00 175.02 174.46 1f4h s VAL 656 N -1.73 0.36 0.10 10.11 1.01 0.60 -0.33 120.40 130.52 1f4h s VAL 656 Ca 0.07 -0.13 -0.11 0.00 0.00 0.00 0.00 61.98 61.81 1f4h s VAL 656 Cb -0.01 -0.35 0.01 0.00 0.00 0.00 0.00 36.38 36.03 1f4h s VAL 656 CO -0.05 0.14 0.26 0.00 0.00 0.00 0.00 175.10 175.45 1f4h s ALA 657 N 0.31 -0.48 -0.30 5.51 0.00 -0.46 -0.30 121.76 126.05 1f4h s ALA 657 Ca -0.03 -0.41 -0.02 0.00 0.00 0.00 0.00 51.96 51.50 1f4h s ALA 657 Cb -0.07 0.55 0.04 0.00 0.00 0.00 0.00 23.12 23.65 1f4h s ALA 657 CO -0.00 -0.55 0.00 -1.17 0.00 0.00 0.00 175.76 174.04 1f4h s LEU 658 N -2.82 3.82 -1.51 0.00 2.96 0.13 0.39 118.68 121.65 1f4h s LEU 658 Ca 0.04 -1.18 -0.05 0.00 -0.22 0.00 0.00 54.13 52.73 1f4h s LEU 658 Cb 0.04 -1.72 0.04 0.00 0.50 0.00 0.00 46.19 45.04 1f4h s LEU 658 CO -0.11 -0.24 0.44 0.47 -1.32 0.00 0.00 176.35 175.59 1f4h n ASP 659 N 4.66 -0.85 0.00 3.68 8.00 -0.75 -1.05 116.55 130.24 1f4h n ASP 659 Ca -0.14 -1.05 0.00 0.00 0.71 0.00 0.00 54.79 54.31 1f4h n ASP 659 Cb 0.44 -2.75 0.00 0.00 -0.02 0.00 0.00 41.12 38.80 1f4h n ASP 659 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1f4h n GLY 660 N -1.93 0.41 2.87 0.44 0.00 -1.26 -4.85 105.19 100.88 1f4h n GLY 660 Ca -0.22 -0.86 -0.30 0.00 0.00 0.00 0.00 46.02 44.65 1f4h n GLY 660 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1f4h s LYS 661 N -1.56 1.20 -0.32 1.61 0.00 -0.21 -4.78 119.74 115.67 1f4h s LYS 661 Ca 0.00 -1.15 -0.29 0.00 0.00 0.00 0.00 55.97 54.54 1f4h s LYS 661 Cb 0.00 -2.47 -0.01 0.00 0.00 0.00 0.00 37.83 35.35 1f4h s LYS 661 CO 0.00 -0.80 1.65 -1.25 0.00 0.00 0.00 175.35 174.95 1f4h s PRO 662 N 1.41 3.52 0.05 1.78 0.04 -1.26 0.18 135.00 140.73 1f4h s PRO 662 Ca 0.03 1.37 0.16 0.00 0.04 0.00 0.00 61.00 62.60 1f4h s PRO 662 Cb -0.18 -4.11 -0.14 0.00 0.04 0.00 0.00 34.50 30.11 1f4h s PRO 662 CO -0.13 -1.63 0.84 -0.07 0.04 0.00 0.00 177.00 176.05 1f4h h LEU 663 N 12.75 0.00 -7.74 -3.56 3.38 -1.01 -3.48 115.31 115.65 1f4h h LEU 663 Ca -0.32 0.00 0.16 0.00 0.09 0.00 0.00 57.88 57.81 1f4h h LEU 663 Cb 1.15 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.83 1f4h h LEU 663 CO 1.04 0.67 0.48 0.00 0.09 0.00 0.00 178.44 180.71 1f4h s ALA 664 N -2.86 -1.58 0.00 1.53 0.00 -0.38 -4.94 121.76 113.53 1f4h s ALA 664 Ca -0.03 -0.00 0.00 0.00 0.00 0.00 0.00 51.96 51.93 1f4h s ALA 664 Cb 0.08 0.67 0.00 0.00 0.00 0.00 0.00 23.12 23.87 1f4h s ALA 664 CO 0.81 -1.05 0.00 -1.13 0.00 0.00 0.00 175.76 174.39 1f4h n SER 665 N -0.61 0.00 0.00 0.00 3.41 -1.26 0.22 113.62 115.38 1f4h n SER 665 Ca -0.06 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.55 1f4h n SER 665 Cb 0.60 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.55 1f4h n SER 665 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1f4h n GLY 666 N -0.00 2.80 0.00 5.00 0.00 -1.10 -4.92 105.19 106.97 1f4h n GLY 666 Ca 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.75 1f4h n GLY 666 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1f4h n GLU 667 N 0.00 0.00 -2.95 1.61 1.02 -1.25 -4.08 120.64 114.99 1f4h n GLU 667 Ca 0.00 0.00 -0.21 0.00 -0.02 0.00 0.00 57.16 56.93 1f4h n GLU 667 Cb 0.00 0.00 0.02 0.00 -0.02 0.00 0.00 31.44 31.44 1f4h n GLU 667 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1f4h s VAL 668 N 0.00 3.38 -0.15 2.62 1.01 0.36 -4.87 120.40 122.76 1f4h s VAL 668 Ca 0.00 -0.73 -0.04 0.00 0.00 0.00 0.00 61.98 61.21 1f4h s VAL 668 Cb 0.00 -3.22 -0.03 0.00 0.00 0.00 0.00 36.38 33.13 1f4h s VAL 668 CO 0.00 -0.13 -0.00 -2.84 0.00 0.00 0.00 175.10 172.13 1f4h s PRO 669 N -4.53 3.61 -0.06 2.72 0.02 -1.26 0.35 135.00 135.86 1f4h s PRO 669 Ca 0.52 -0.45 -0.25 0.00 0.02 0.00 0.00 61.00 60.84 1f4h s PRO 669 Cb -0.10 -2.97 -0.03 0.00 0.02 0.00 0.00 34.50 31.42 1f4h s PRO 669 CO 0.36 0.35 0.77 -0.51 -0.33 0.00 0.00 177.00 177.64 1f4h s LEU 670 N 0.10 4.32 -0.52 -5.54 1.43 -0.51 -4.90 118.68 113.05 1f4h s LEU 670 Ca 0.01 1.29 0.04 0.00 -1.03 0.00 0.00 54.13 54.44 1f4h s LEU 670 Cb -0.13 -3.20 0.17 0.00 0.03 0.00 0.00 46.19 43.06 1f4h s LEU 670 CO 0.02 -0.17 0.40 -0.62 0.23 0.00 0.00 176.35 176.20 1f4h s ASP 671 N 0.88 2.77 -0.03 2.29 2.15 -1.26 -4.71 116.67 118.75 1f4h s ASP 671 Ca 0.41 -3.35 0.04 0.00 0.43 0.00 0.00 52.55 50.07 1f4h s ASP 671 Cb -0.18 -0.90 -0.00 0.00 -0.30 0.00 0.00 42.92 41.53 1f4h s ASP 671 CO 0.20 -0.14 -0.15 -0.69 -0.17 0.00 0.00 175.17 174.21 1f4h s VAL 672 N -0.51 1.27 0.41 1.11 1.01 -1.26 -4.87 120.40 117.56 1f4h s VAL 672 Ca 0.29 -0.64 -0.01 0.00 0.00 0.00 0.00 61.98 61.62 1f4h s VAL 672 Cb -0.00 -1.09 -0.03 0.00 0.00 0.00 0.00 36.38 35.27 1f4h s VAL 672 CO -0.18 0.37 0.65 0.00 0.00 0.00 0.00 175.10 175.94 1f4h s ALA 673 N -0.04 3.62 0.14 5.51 0.00 -1.26 -2.63 121.76 127.10 1f4h s ALA 673 Ca -0.01 -0.83 -0.31 0.00 0.00 0.00 0.00 51.96 50.81 1f4h s ALA 673 Cb -0.10 -2.26 -0.18 0.00 0.00 0.00 0.00 23.12 20.59 1f4h s ALA 673 CO 0.01 -0.22 0.67 -0.35 0.00 0.00 0.00 175.76 175.88 1f4h n PRO 674 N -2.01 0.00 -1.49 0.00 -0.04 -1.22 0.23 135.00 130.48 1f4h n PRO 674 Ca -0.02 0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 63.27 1f4h n PRO 674 Cb 0.56 -1.13 -0.07 0.00 -0.04 0.00 0.00 33.50 32.82 1f4h n PRO 674 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1f4h n GLN 675 N 1.13 -1.44 -3.60 0.54 6.02 -0.26 -4.94 117.38 114.82 1f4h n GLN 675 Ca 0.18 1.04 -0.22 0.00 -0.01 0.00 0.00 57.00 57.99 1f4h n GLN 675 Cb 0.19 -5.37 -0.02 0.00 1.02 0.00 0.00 30.24 26.06 1f4h n GLN 675 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 1f4h s GLY 676 N -2.50 2.16 0.18 1.08 0.00 0.62 -4.80 107.32 104.07 1f4h s GLY 676 Ca 0.00 -1.82 0.07 0.00 0.00 0.00 0.00 44.72 42.96 1f4h s GLY 676 CO 0.00 -1.74 0.03 0.54 0.00 0.00 0.00 173.10 171.93 1f4h s LYS 677 N -4.17 2.52 -0.03 2.90 1.02 -1.26 0.63 119.74 121.35 1f4h s LYS 677 Ca 0.47 -1.06 0.01 0.00 0.02 0.00 0.00 55.97 55.40 1f4h s LYS 677 Cb -0.03 -2.42 0.02 0.00 -0.52 0.00 0.00 37.83 34.89 1f4h s LYS 677 CO 0.27 0.46 -0.02 -1.14 -0.92 0.00 0.00 175.35 174.00 1f4h s GLN 678 N -3.02 0.49 -0.27 1.68 0.74 0.14 -4.79 119.66 114.62 1f4h s GLN 678 Ca 0.28 0.01 -0.13 0.00 0.05 0.00 0.00 55.36 55.58 1f4h s GLN 678 Cb -0.09 -0.60 -0.04 0.00 1.10 0.00 0.00 33.01 33.37 1f4h s GLN 678 CO 0.20 -0.11 0.27 -0.51 -0.55 0.00 0.00 175.29 174.58 1f4h s LEU 679 N 0.96 4.03 -0.37 3.68 1.43 -1.26 -1.78 118.68 125.37 1f4h s LEU 679 Ca -0.11 0.12 0.03 0.00 -1.03 0.00 0.00 54.13 53.14 1f4h s LEU 679 Cb -0.14 -2.25 0.11 0.00 0.03 0.00 0.00 46.19 43.94 1f4h s LEU 679 CO -0.01 -0.10 0.10 -0.63 0.23 0.00 0.00 176.35 175.93 1f4h s ILE 680 N 1.87 2.46 -0.12 -0.59 1.01 0.86 -4.92 121.20 121.77 1f4h s ILE 680 Ca 0.10 -2.41 -0.27 0.00 0.00 0.00 0.00 60.65 58.08 1f4h s ILE 680 Cb -0.16 -2.79 -0.02 0.00 0.01 0.00 0.00 42.46 39.51 1f4h s ILE 680 CO 0.10 -0.63 0.87 -0.70 0.00 0.00 0.00 174.94 174.58 1f4h s GLU 681 N 0.81 4.38 0.23 2.79 -6.30 -1.26 0.32 118.70 119.66 1f4h s GLU 681 Ca 0.11 1.13 -0.08 0.00 -2.50 0.00 0.00 54.97 53.63 1f4h s GLU 681 Cb -0.20 -3.54 -0.07 0.00 0.00 0.00 0.00 34.13 30.33 1f4h s GLU 681 CO -0.07 -0.24 0.52 -0.51 0.02 0.00 0.00 175.26 174.99 1f4h s LEU 682 N 1.80 4.16 0.84 2.70 1.43 0.41 -4.95 118.68 125.08 1f4h s LEU 682 Ca 0.42 0.83 -0.13 0.00 -1.03 0.00 0.00 54.13 54.23 1f4h s LEU 682 Cb -0.18 -3.60 0.08 0.00 0.03 0.00 0.00 46.19 42.52 1f4h s LEU 682 CO 0.16 -0.08 1.01 -0.81 0.23 0.00 0.00 176.35 176.86 1f4h n PRO 683 N -0.25 -0.01 -1.64 1.29 -0.04 -1.26 -4.77 135.00 128.32 1f4h n PRO 683 Ca -0.00 0.07 -0.42 0.00 -0.04 0.00 0.00 63.50 63.10 1f4h n PRO 683 Cb 0.53 -2.28 -0.03 0.00 -0.04 0.00 0.00 33.50 31.68 1f4h n PRO 683 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1f4h n GLU 684 N -2.99 2.56 -3.18 0.54 2.13 -1.26 -4.88 120.64 113.56 1f4h n GLU 684 Ca 0.12 0.87 -0.34 0.00 0.66 0.00 0.00 57.16 58.47 1f4h n GLU 684 Cb 0.51 -3.09 -0.06 0.00 0.27 0.00 0.00 31.44 29.07 1f4h n GLU 684 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 1f4h s LEU 685 N 5.80 4.23 0.00 4.31 1.43 -1.26 -5.06 118.68 128.13 1f4h s LEU 685 Ca 0.93 1.28 0.00 0.00 -1.03 0.00 0.00 54.13 55.31 1f4h s LEU 685 Cb -0.40 -3.71 0.00 0.00 0.03 0.00 0.00 46.19 42.11 1f4h s LEU 685 CO 0.40 -0.04 0.00 -0.81 0.23 0.00 0.00 176.35 176.12 1f4h n PRO 686 N 0.30 2.79 0.00 1.29 -0.04 -1.26 -5.09 135.00 133.00 1f4h n PRO 686 Ca -0.01 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.45 1f4h n PRO 686 Cb 0.52 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.98 1f4h n PRO 686 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1f4h n GLN 687 N 0.00 0.00 -4.00 0.54 -0.00 -1.26 -5.18 117.38 107.48 1f4h n GLN 687 Ca 0.00 0.00 -0.22 0.00 -0.00 0.00 0.00 57.00 56.78 1f4h n GLN 687 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 30.24 30.21 1f4h n GLN 687 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.06 175.81 1f4h s PRO 688 N -0.04 3.32 0.25 2.61 0.05 -1.26 -5.02 135.00 134.90 1f4h s PRO 688 Ca 0.00 -0.79 0.09 0.00 0.05 0.00 0.00 61.00 60.35 1f4h s PRO 688 Cb 0.00 -2.83 0.28 0.00 0.05 0.00 0.00 34.50 32.00 1f4h s PRO 688 CO 0.00 0.45 1.57 0.93 0.05 0.00 0.00 177.00 179.99 1f4h h GLU 689 N 1.49 0.05 -6.34 4.56 4.39 -2.03 -3.46 114.58 113.24 1f4h h GLU 689 Ca -0.50 -0.04 -0.60 0.00 0.34 0.00 0.00 59.36 58.55 1f4h h GLU 689 Cb 1.22 0.01 0.15 0.00 -0.10 0.00 0.00 28.75 30.03 1f4h h GLU 689 CO 0.63 0.69 -0.43 0.43 -1.16 0.00 0.00 179.01 179.17 1f4h n SER 690 N -3.78 -0.99 -4.71 1.42 7.64 -1.26 -4.93 113.62 107.01 1f4h n SER 690 Ca -0.01 0.88 -0.32 0.00 1.01 0.00 0.00 58.87 60.42 1f4h n SER 690 Cb 0.65 -1.11 0.13 0.00 -1.01 0.00 0.00 64.21 62.86 1f4h n SER 690 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1f4h s ALA 691 N -1.52 1.85 0.00 -0.43 0.00 -1.26 -4.54 121.76 115.85 1f4h s ALA 691 Ca 0.64 0.69 0.00 0.00 0.00 0.00 0.00 51.96 53.29 1f4h s ALA 691 Cb -0.58 -3.44 0.00 0.00 0.00 0.00 0.00 23.12 19.10 1f4h s ALA 691 CO 0.58 -2.26 0.00 0.41 0.00 0.00 0.00 175.76 174.49 1f4h n GLY 692 N 0.14 2.78 3.52 0.00 0.00 -1.13 -4.92 105.19 105.58 1f4h n GLY 692 Ca 0.12 -1.92 -0.32 0.00 0.00 0.00 0.00 46.02 43.90 1f4h n GLY 692 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1f4h s GLN 693 N -1.91 2.39 -0.22 1.61 -0.21 -1.26 -1.21 119.66 118.84 1f4h s GLN 693 Ca 0.00 -0.80 -0.08 0.00 0.02 0.00 0.00 55.36 54.50 1f4h s GLN 693 Cb 0.00 -2.37 -0.04 0.00 1.00 0.00 0.00 33.01 31.60 1f4h s GLN 693 CO 0.00 0.59 0.09 -1.17 -2.12 0.00 0.00 175.29 172.68 1f4h s LEU 694 N -1.27 3.76 -0.02 2.90 2.96 0.21 -1.81 118.68 125.40 1f4h s LEU 694 Ca 0.15 -0.01 0.07 0.00 -0.22 0.00 0.00 54.13 54.12 1f4h s LEU 694 Cb -0.11 -1.98 -0.02 0.00 0.50 0.00 0.00 46.19 44.58 1f4h s LEU 694 CO 0.05 0.07 -0.24 0.26 -1.32 0.00 0.00 176.35 175.17 1f4h s TRP 695 N 0.98 2.19 -0.37 5.38 0.52 0.16 0.19 118.94 128.00 1f4h s TRP 695 Ca 0.05 -0.45 -0.14 0.00 0.02 0.00 0.00 56.10 55.58 1f4h s TRP 695 Cb -0.14 -1.41 -0.00 0.00 -1.15 0.00 0.00 33.47 30.76 1f4h s TRP 695 CO 0.03 -0.06 0.27 -1.17 0.02 0.00 0.00 176.95 176.05 1f4h s LEU 696 N -0.51 4.72 0.05 2.99 2.96 0.34 -1.35 118.68 127.88 1f4h s LEU 696 Ca 0.08 -0.57 0.06 0.00 -0.22 0.00 0.00 54.13 53.47 1f4h s LEU 696 Cb -0.10 -2.17 -0.04 0.00 0.50 0.00 0.00 46.19 44.39 1f4h s LEU 696 CO -0.00 -0.32 -0.10 -0.89 -1.32 0.00 0.00 176.35 173.72 1f4h s THR 697 N 1.74 3.39 -0.01 3.68 2.01 0.56 -1.12 115.64 125.89 1f4h s THR 697 Ca 0.06 -1.06 0.00 0.00 0.31 0.00 0.00 61.69 61.01 1f4h s THR 697 Cb -0.18 -2.52 0.01 0.00 0.01 0.00 0.00 72.50 69.83 1f4h s THR 697 CO 0.11 0.26 0.01 0.68 -0.69 0.00 0.00 174.62 174.99 1f4h s VAL 698 N -1.08 -0.02 0.02 3.82 -7.23 -0.15 -0.63 120.40 115.13 1f4h s VAL 698 Ca 0.19 0.10 0.08 0.00 -1.81 0.00 0.00 61.98 60.53 1f4h s VAL 698 Cb -0.11 -0.05 -0.02 0.00 0.56 0.00 0.00 36.38 36.76 1f4h s VAL 698 CO 0.10 0.04 -0.24 -0.13 -0.31 0.00 0.00 175.10 174.56 1f4h s ARG 699 N 0.49 1.74 -0.26 4.82 0.52 -0.06 -1.97 118.95 124.22 1f4h s ARG 699 Ca -0.04 -0.97 -0.08 0.00 -0.52 0.00 0.00 55.73 54.12 1f4h s ARG 699 Cb -0.06 -1.81 -0.03 0.00 0.52 0.00 0.00 34.95 33.57 1f4h s ARG 699 CO -0.01 0.48 0.10 0.08 0.02 0.00 0.00 175.30 175.96 1f4h s VAL 700 N -0.71 4.48 0.08 3.52 1.01 -0.99 0.02 120.40 127.81 1f4h s VAL 700 Ca 0.10 -0.16 0.06 0.00 0.00 0.00 0.00 61.98 61.98 1f4h s VAL 700 Cb -0.09 -3.12 -0.04 0.00 0.00 0.00 0.00 36.38 33.12 1f4h s VAL 700 CO 0.01 0.29 -0.09 -0.69 0.00 0.00 0.00 175.10 174.62 1f4h s VAL 701 N 1.63 3.42 -0.80 2.92 1.01 0.61 -1.85 120.40 127.33 1f4h s VAL 701 Ca 0.06 -1.16 -0.10 0.00 0.00 0.00 0.00 61.98 60.78 1f4h s VAL 701 Cb -0.15 -2.57 0.21 0.00 0.00 0.00 0.00 36.38 33.86 1f4h s VAL 701 CO 0.05 0.17 0.71 -1.10 0.00 0.00 0.00 175.10 174.93 1f4h s GLN 702 N -2.03 3.35 0.28 2.72 -0.21 -0.23 0.15 119.66 123.70 1f4h s GLN 702 Ca 0.21 -2.60 -0.01 0.00 0.02 0.00 0.00 55.36 52.97 1f4h s GLN 702 Cb -0.11 -4.22 0.45 0.00 1.00 0.00 0.00 33.01 30.13 1f4h s GLN 702 CO 0.12 -1.25 1.91 -1.00 -2.12 0.00 0.00 175.29 172.95 1f4h h PRO 703 N 7.37 1.09 -5.59 2.91 0.13 -1.86 0.21 132.00 136.26 1f4h h PRO 703 Ca 0.08 -0.07 -0.59 0.00 -0.87 0.00 0.00 66.00 64.56 1f4h h PRO 703 Cb 0.99 -0.25 -0.09 0.00 0.13 0.00 0.00 31.00 31.78 1f4h h PRO 703 CO 0.77 0.72 -0.19 -0.80 -0.23 0.00 0.00 178.00 178.26 1f4h s ASN 704 N -6.03 6.56 0.48 1.44 -0.87 -1.26 -3.68 114.94 111.58 1f4h s ASN 704 Ca -0.12 0.66 -0.22 0.00 -1.57 0.00 0.00 52.86 51.61 1f4h s ASN 704 Cb 0.19 -2.25 -0.07 0.00 -0.02 0.00 0.00 41.25 39.11 1f4h s ASN 704 CO 0.81 -0.00 1.15 0.00 -2.57 0.00 0.00 177.10 176.49 1f4h s ALA 705 N 0.80 2.90 0.29 0.60 0.00 -1.26 -4.69 121.76 120.40 1f4h s ALA 705 Ca 0.22 0.90 0.01 0.00 0.00 0.00 0.00 51.96 53.09 1f4h s ALA 705 Cb -0.14 -3.38 -0.00 0.00 0.00 0.00 0.00 23.12 19.60 1f4h s ALA 705 CO 0.08 -0.68 0.03 0.25 0.00 0.00 0.00 175.76 175.44 1f4h n THR 706 N -0.69 0.00 -0.24 0.00 -2.24 0.15 -4.94 114.28 106.32 1f4h n THR 706 Ca 0.08 -1.45 0.03 0.00 -2.27 0.00 0.00 64.05 60.44 1f4h n THR 706 Cb 0.49 0.38 0.26 0.00 -2.10 0.00 0.00 70.33 69.36 1f4h n THR 706 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1f4h h ALA 707 N 1.25 1.52 -0.10 6.98 0.00 -1.99 -3.11 119.26 123.81 1f4h h ALA 707 Ca -0.23 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1f4h h ALA 707 Cb 0.76 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1f4h h ALA 707 CO 0.38 0.40 0.00 -2.67 0.00 0.00 0.00 179.25 177.36 1f4h n TRP 708 N -4.45 0.21 -3.82 0.00 4.27 -1.26 -5.04 117.44 107.35 1f4h n TRP 708 Ca 0.10 -0.65 -0.12 0.00 -3.89 0.00 0.00 57.50 52.94 1f4h n TRP 708 Cb 0.12 -0.10 -0.11 0.00 -1.36 0.00 0.00 31.31 29.86 1f4h n TRP 708 CO 0.00 0.00 0.00 -1.54 -2.29 0.00 0.00 177.69 173.86 1f4h s SER 709 N -1.52 -0.15 1.03 -0.67 1.04 -1.18 -4.66 113.70 107.59 1f4h s SER 709 Ca 0.17 0.23 -0.15 0.00 0.48 0.00 0.00 55.95 56.67 1f4h s SER 709 Cb 0.13 0.36 0.21 0.00 0.10 0.00 0.00 66.02 66.82 1f4h s SER 709 CO 0.05 -0.19 1.15 -0.62 0.98 0.00 0.00 173.24 174.61 1f4h n GLU 710 N 2.40 -1.38 -3.15 4.02 -0.58 -1.26 0.29 120.64 120.98 1f4h n GLU 710 Ca -0.16 -1.78 -0.32 0.00 -0.42 0.00 0.00 57.16 54.47 1f4h n GLU 710 Cb 0.57 -1.24 -0.06 0.00 -0.57 0.00 0.00 31.44 30.15 1f4h n GLU 710 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1f4h s ALA 711 N -3.85 3.37 0.00 0.62 0.00 -1.26 -3.28 121.76 117.35 1f4h s ALA 711 Ca 0.66 -0.05 0.00 0.00 0.00 0.00 0.00 51.96 52.57 1f4h s ALA 711 Cb -0.02 -2.70 0.00 0.00 0.00 0.00 0.00 23.12 20.40 1f4h s ALA 711 CO 0.47 0.31 0.00 0.41 0.00 0.00 0.00 175.76 176.95 1f4h n GLY 712 N -0.47 0.32 3.76 0.00 0.00 0.73 -4.94 105.19 104.60 1f4h n GLY 712 Ca 0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.66 1f4h n GLY 712 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1f4h s HIS 713 N -1.68 2.58 -0.19 1.61 5.04 -1.21 -4.72 115.29 116.71 1f4h s HIS 713 Ca 0.00 1.38 -0.05 0.00 -1.54 0.00 0.00 55.06 54.85 1f4h s HIS 713 Cb 0.00 -3.72 -0.03 0.00 0.04 0.00 0.00 32.58 28.87 1f4h s HIS 713 CO 0.00 -2.45 0.01 0.42 -2.34 0.00 0.00 174.74 170.38 1f4h s ILE 714 N -1.31 4.13 -0.13 0.89 1.09 -1.26 -1.07 121.20 123.55 1f4h s ILE 714 Ca 0.64 -0.25 0.13 0.00 -1.10 0.00 0.00 60.65 60.06 1f4h s ILE 714 Cb -0.39 -2.87 -0.18 0.00 -1.06 0.00 0.00 42.46 37.97 1f4h s ILE 714 CO 0.48 0.44 0.07 -1.54 -0.10 0.00 0.00 174.94 174.28 1f4h n SER 715 N 4.06 1.49 -4.14 3.58 3.41 -0.77 -5.03 113.62 116.21 1f4h n SER 715 Ca -0.17 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 58.35 1f4h n SER 715 Cb 0.52 0.91 -0.10 0.00 -0.26 0.00 0.00 64.21 65.28 1f4h n SER 715 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1f4h s ALA 716 N -2.39 0.82 0.05 7.33 0.00 -1.25 -4.59 121.76 121.72 1f4h s ALA 716 Ca -0.07 -1.41 -0.28 0.00 0.00 0.00 0.00 51.96 50.20 1f4h s ALA 716 Cb 0.05 0.65 0.09 0.00 0.00 0.00 0.00 23.12 23.91 1f4h s ALA 716 CO 0.59 -0.43 1.03 1.67 0.00 0.00 0.00 175.76 178.62 1f4h s TRP 717 N -3.96 -0.16 -0.29 0.00 -2.14 -1.26 -2.34 118.94 108.78 1f4h s TRP 717 Ca 0.19 -0.04 -0.27 0.00 2.66 0.00 0.00 56.10 58.64 1f4h s TRP 717 Cb 0.07 0.59 0.19 0.00 -3.10 0.00 0.00 33.47 31.22 1f4h s TRP 717 CO -0.01 -0.59 1.40 -1.14 -2.66 0.00 0.00 176.95 173.95 1f4h s GLN 718 N -2.99 0.06 0.11 3.25 2.00 -0.83 -5.01 119.66 116.25 1f4h s GLN 718 Ca 0.11 0.04 0.04 0.00 -2.00 0.00 0.00 55.36 53.54 1f4h s GLN 718 Cb 0.00 0.03 -0.04 0.00 0.80 0.00 0.00 33.01 33.80 1f4h s GLN 718 CO -0.02 -0.01 -0.10 -1.14 -0.50 0.00 0.00 175.29 173.51 1f4h s GLN 719 N -0.53 0.93 -0.09 1.67 0.74 -1.26 -0.98 119.66 120.14 1f4h s GLN 719 Ca 0.08 -1.26 -0.09 0.00 0.05 0.00 0.00 55.36 54.13 1f4h s GLN 719 Cb -0.03 -0.58 0.03 0.00 1.10 0.00 0.00 33.01 33.53 1f4h s GLN 719 CO -0.12 0.08 0.26 -1.58 -0.55 0.00 0.00 175.29 173.39 1f4h s TRP 720 N -2.74 -0.28 0.09 1.67 0.51 -0.28 -4.99 118.94 112.92 1f4h s TRP 720 Ca 0.09 0.67 -0.27 0.00 -2.12 0.00 0.00 56.10 54.48 1f4h s TRP 720 Cb -0.01 0.10 -0.06 0.00 -0.81 0.00 0.00 33.47 32.69 1f4h s TRP 720 CO 0.00 -0.15 0.86 0.50 -0.51 0.00 0.00 176.95 177.65 1f4h s ARG 721 N 0.05 4.61 -0.22 4.98 3.52 -1.26 -0.50 118.95 130.13 1f4h s ARG 721 Ca -0.01 1.26 0.08 0.00 -0.13 0.00 0.00 55.73 56.93 1f4h s ARG 721 Cb -0.02 -3.36 -0.21 0.00 -1.56 0.00 0.00 34.95 29.80 1f4h s ARG 721 CO 0.01 0.29 -0.04 1.28 -0.81 0.00 0.00 175.30 176.02 1f4h n LEU 722 N 2.63 1.74 -3.53 -0.88 4.77 0.51 -4.89 117.00 117.35 1f4h n LEU 722 Ca -0.01 -0.04 -0.10 0.00 -0.03 0.00 0.00 56.01 55.84 1f4h n LEU 722 Cb 0.49 -0.34 -0.03 0.00 -2.33 0.00 0.00 43.42 41.21 1f4h n LEU 722 CO 0.49 0.74 0.71 0.00 -1.33 0.00 0.00 177.39 178.00 1f4h s ALA 723 N -2.51 -1.86 -0.12 -1.18 0.00 -1.18 -4.95 121.76 109.95 1f4h s ALA 723 Ca -0.23 1.22 0.00 0.00 0.00 0.00 0.00 51.96 52.95 1f4h s ALA 723 Cb 0.08 0.03 0.02 0.00 0.00 0.00 0.00 23.12 23.25 1f4h s ALA 723 CO 0.71 -0.55 -0.11 -2.00 0.00 0.00 0.00 175.76 173.81 1f4h s GLU 724 N -2.36 1.91 -0.29 0.00 2.12 -1.26 0.66 118.70 119.48 1f4h s GLU 724 Ca 0.02 -0.41 -0.09 0.00 0.36 0.00 0.00 54.97 54.85 1f4h s GLU 724 Cb -0.01 -1.81 -0.02 0.00 0.26 0.00 0.00 34.13 32.55 1f4h s GLU 724 CO -0.04 -0.22 0.12 -0.80 -0.54 0.00 0.00 175.26 173.77 1f4h s ASN 725 N 1.50 5.38 0.13 -1.70 0.01 -0.35 -5.00 114.94 114.92 1f4h s ASN 725 Ca 0.03 -0.41 -0.30 0.00 -0.71 0.00 0.00 52.86 51.47 1f4h s ASN 725 Cb -0.13 -1.97 -0.07 0.00 0.41 0.00 0.00 41.25 39.49 1f4h s ASN 725 CO -0.08 -0.13 1.26 -0.76 -1.51 0.00 0.00 177.10 175.88 1f4h s LEU 726 N 1.61 4.40 -0.76 0.60 1.43 -1.26 -2.84 118.68 121.85 1f4h s LEU 726 Ca 0.05 2.22 -0.26 0.00 -1.03 0.00 0.00 54.13 55.11 1f4h s LEU 726 Cb -0.16 -3.59 0.02 0.00 0.03 0.00 0.00 46.19 42.48 1f4h s LEU 726 CO 0.05 -0.50 1.44 -0.55 0.23 0.00 0.00 176.35 177.02 1f4h s SER 727 N 0.68 6.01 -0.61 2.29 0.15 -1.26 -4.87 113.70 116.10 1f4h s SER 727 Ca 0.58 -0.46 -0.00 0.00 0.70 0.00 0.00 55.95 56.76 1f4h s SER 727 Cb -0.33 -2.56 0.45 0.00 -1.71 0.00 0.00 66.02 61.87 1f4h s SER 727 CO 0.33 -1.93 1.90 1.33 1.20 0.00 0.00 173.24 176.07 1f4h n VAL 728 N 6.66 3.45 -5.09 4.45 0.24 -1.26 -4.97 118.33 121.82 1f4h n VAL 728 Ca 0.12 -3.14 -0.28 0.00 -2.04 0.00 0.00 64.34 59.00 1f4h n VAL 728 Cb 0.50 -1.15 -0.16 0.00 -1.47 0.00 0.00 33.84 31.56 1f4h n VAL 728 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 1f4h s THR 729 N -4.78 1.74 -0.15 3.34 -4.23 -1.26 -5.14 115.64 105.15 1f4h s THR 729 Ca 0.63 -0.94 -0.06 0.00 -1.18 0.00 0.00 61.69 60.14 1f4h s THR 729 Cb 0.49 -1.45 -0.04 0.00 1.34 0.00 0.00 72.50 72.84 1f4h s THR 729 CO -0.00 0.49 0.06 -0.76 -0.54 0.00 0.00 174.62 173.87 1f4h s LEU 730 N -0.47 3.86 0.09 4.79 1.43 -1.26 -5.07 118.68 122.05 1f4h s LEU 730 Ca 0.07 0.16 -0.31 0.00 -1.03 0.00 0.00 54.13 53.02 1f4h s LEU 730 Cb -0.09 -1.95 -0.09 0.00 0.03 0.00 0.00 46.19 44.09 1f4h s LEU 730 CO -0.00 0.26 1.61 -2.84 0.23 0.00 0.00 176.35 175.61 1f4h s PRO 731 N -0.13 4.21 0.79 1.29 0.02 -1.26 -4.91 135.00 135.01 1f4h s PRO 731 Ca 0.07 2.32 -0.15 0.00 0.02 0.00 0.00 61.00 63.26 1f4h s PRO 731 Cb -0.12 -3.47 -0.13 0.00 0.02 0.00 0.00 34.50 30.81 1f4h s PRO 731 CO 0.01 -0.69 -0.77 0.00 -0.33 0.00 0.00 177.00 175.23 1f4h n ALA 732 N 5.09 -4.83 -1.65 -1.55 0.00 -1.26 -4.78 120.51 111.53 1f4h n ALA 732 Ca 0.15 -0.66 -0.47 0.00 0.00 0.00 0.00 53.44 52.46 1f4h n ALA 732 Cb 0.40 -0.84 -0.04 0.00 0.00 0.00 0.00 19.45 18.96 1f4h n ALA 732 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1f4h n ALA 733 N -2.14 1.09 -1.70 0.00 0.00 -1.26 -4.87 120.51 111.63 1f4h n ALA 733 Ca -0.02 0.20 -0.43 0.00 0.00 0.00 0.00 53.44 53.20 1f4h n ALA 733 Cb 0.48 -2.57 -0.03 0.00 0.00 0.00 0.00 19.45 17.32 1f4h n ALA 733 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1f4h s SER 734 N 4.79 5.96 0.01 0.00 1.04 -1.26 -4.84 113.70 119.39 1f4h s SER 734 Ca 0.94 2.15 0.09 0.00 0.48 0.00 0.00 55.95 59.61 1f4h s SER 734 Cb -0.63 -2.52 0.37 0.00 0.10 0.00 0.00 66.02 63.34 1f4h s SER 734 CO 0.49 -1.52 1.28 1.41 0.98 0.00 0.00 173.24 175.87 1f4h n HIS 735 N 9.65 0.02 -4.08 5.02 8.25 -1.26 -4.81 115.22 128.01 1f4h n HIS 735 Ca 0.24 0.01 -0.10 0.00 -0.26 0.00 0.00 57.72 57.61 1f4h n HIS 735 Cb 0.44 -0.51 -0.04 0.00 1.12 0.00 0.00 29.99 31.00 1f4h n HIS 735 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1f4h n ALA 736 N -1.51 0.26 -3.34 -1.41 0.00 -1.26 -5.15 120.51 108.10 1f4h n ALA 736 Ca 0.02 -1.01 -0.13 0.00 0.00 0.00 0.00 53.44 52.32 1f4h n ALA 736 Cb 0.10 0.82 -0.10 0.00 0.00 0.00 0.00 19.45 20.27 1f4h n ALA 736 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 1f4h s ILE 737 N -2.71 -0.00 0.51 0.00 2.07 -1.26 -4.19 121.20 115.62 1f4h s ILE 737 Ca 0.20 0.01 -0.19 0.00 -1.41 0.00 0.00 60.65 59.26 1f4h s ILE 737 Cb 0.01 -0.57 -0.07 0.00 0.13 0.00 0.00 42.46 41.95 1f4h s ILE 737 CO 0.14 0.00 1.04 -2.16 -1.91 0.00 0.00 174.94 172.06 1f4h s PRO 738 N 0.32 3.69 -0.07 3.50 0.05 -1.26 -4.92 135.00 136.30 1f4h s PRO 738 Ca -0.01 1.33 0.02 0.00 0.05 0.00 0.00 61.00 62.39 1f4h s PRO 738 Cb -0.03 -2.08 -0.02 0.00 0.05 0.00 0.00 34.50 32.41 1f4h s PRO 738 CO -0.01 -0.52 -0.12 -1.01 0.05 0.00 0.00 177.00 175.39 1f4h s HIS 739 N -2.09 2.79 -0.20 0.56 0.09 0.53 -4.89 115.29 112.09 1f4h s HIS 739 Ca 0.67 -0.21 -0.08 0.00 -0.00 0.00 0.00 55.06 55.44 1f4h s HIS 739 Cb -0.16 -1.70 -0.04 0.00 -0.00 0.00 0.00 32.58 30.67 1f4h s HIS 739 CO 0.24 0.14 0.08 -1.17 -0.00 0.00 0.00 174.74 174.03 1f4h s LEU 740 N -0.51 3.84 -0.22 0.89 2.96 -1.24 -0.06 118.68 124.34 1f4h s LEU 740 Ca 0.07 0.07 0.02 0.00 -0.22 0.00 0.00 54.13 54.06 1f4h s LEU 740 Cb -0.12 -1.98 0.04 0.00 0.50 0.00 0.00 46.19 44.63 1f4h s LEU 740 CO 0.02 0.14 -0.14 -0.89 -1.32 0.00 0.00 176.35 174.16 1f4h s THR 741 N 0.56 2.01 0.71 3.68 2.01 -0.45 -4.94 115.64 119.22 1f4h s THR 741 Ca 0.04 -1.23 -0.05 0.00 0.31 0.00 0.00 61.69 60.76 1f4h s THR 741 Cb -0.13 -1.99 0.08 0.00 0.01 0.00 0.00 72.50 70.47 1f4h s THR 741 CO 0.01 0.24 1.00 -0.89 -0.69 0.00 0.00 174.62 174.29 1f4h s THR 742 N 1.24 2.29 0.00 -0.82 2.01 -1.26 -0.65 115.64 118.44 1f4h s THR 742 Ca -0.02 -0.35 0.00 0.00 0.31 0.00 0.00 61.69 61.63 1f4h s THR 742 Cb -0.16 -2.94 0.00 0.00 0.01 0.00 0.00 72.50 69.41 1f4h s THR 742 CO -0.09 0.00 0.00 -1.54 -0.69 0.00 0.00 174.62 172.30 1f4h n SER 743 N -2.90 0.00 -0.10 3.53 3.41 -0.84 -4.96 113.62 111.76 1f4h n SER 743 Ca 0.10 0.00 -0.07 0.00 -0.26 0.00 0.00 58.87 58.63 1f4h n SER 743 Cb 0.60 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.54 1f4h n SER 743 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 1f4h h GLU 744 N 0.00 -0.22 0.00 4.33 4.81 -2.03 -2.92 114.58 118.55 1f4h h GLU 744 Ca 0.00 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 1f4h h GLU 744 Cb 0.00 0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.43 1f4h h GLU 744 CO 0.00 -0.15 -0.42 -1.33 -0.73 0.00 0.00 179.01 176.38 1f4h n MET 745 N -5.40 0.02 -3.69 1.92 0.00 -1.26 -4.78 117.12 103.92 1f4h n MET 745 Ca 0.01 0.01 -0.06 0.00 0.00 0.00 0.00 57.70 57.65 1f4h n MET 745 Cb 0.32 -1.51 -0.02 0.00 0.00 0.00 0.00 33.22 32.01 1f4h n MET 745 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 175.97 176.13 1f4h s ASP 746 N -3.07 -0.27 0.08 7.83 1.47 -1.10 0.30 116.67 121.90 1f4h s ASP 746 Ca 0.11 -0.32 0.07 0.00 1.18 0.00 0.00 52.55 53.59 1f4h s ASP 746 Cb 0.17 0.52 -0.04 0.00 -0.34 0.00 0.00 42.92 43.24 1f4h s ASP 746 CO 0.67 -0.93 -0.12 -0.36 0.68 0.00 0.00 175.17 175.11 1f4h s PHE 747 N -3.41 2.69 -0.02 2.11 0.40 -0.86 -1.99 117.98 116.90 1f4h s PHE 747 Ca 0.09 -0.18 0.02 0.00 -0.60 0.00 0.00 56.93 56.26 1f4h s PHE 747 Cb -0.02 -1.45 0.01 0.00 0.51 0.00 0.00 43.02 42.07 1f4h s PHE 747 CO -0.01 0.38 -0.05 0.00 0.70 0.00 0.00 175.22 176.24 1f4h s ILE 749 N 0.35 2.00 -0.05 0.00 1.09 0.80 -1.34 121.20 124.05 1f4h s ILE 749 Ca -0.04 -1.07 0.03 0.00 -1.10 0.00 0.00 60.65 58.47 1f4h s ILE 749 Cb -0.08 -1.66 0.00 0.00 -1.06 0.00 0.00 42.46 39.66 1f4h s ILE 749 CO -0.00 0.56 -0.14 -1.83 -0.10 0.00 0.00 174.94 173.43 1f4h s GLU 750 N -0.52 1.62 -0.24 2.79 1.03 0.91 -0.55 118.70 123.74 1f4h s GLU 750 Ca 0.07 -0.48 -0.02 0.00 0.03 0.00 0.00 54.97 54.57 1f4h s GLU 750 Cb -0.10 -1.39 0.12 0.00 -0.80 0.00 0.00 34.13 31.96 1f4h s GLU 750 CO -0.00 0.13 0.30 -1.17 -1.33 0.00 0.00 175.26 173.20 1f4h s LEU 751 N 0.31 -0.36 0.00 1.83 0.20 -0.33 -0.35 118.68 119.98 1f4h s LEU 751 Ca -0.08 -0.20 0.00 0.00 0.69 0.00 0.00 54.13 54.54 1f4h s LEU 751 Cb -0.13 0.71 0.00 0.00 -0.43 0.00 0.00 46.19 46.34 1f4h s LEU 751 CO 0.03 -0.33 0.00 0.61 -0.29 0.00 0.00 176.35 176.36 1f4h n GLY 752 N 5.34 2.59 0.14 7.98 0.00 -1.26 -1.60 105.19 118.37 1f4h n GLY 752 Ca -0.04 -0.31 0.13 0.00 0.00 0.00 0.00 46.02 45.80 1f4h n GLY 752 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 1f4h h ASN 753 N 6.23 0.00 -3.32 1.61 -1.07 -1.96 -3.44 115.58 113.63 1f4h h ASN 753 Ca 0.00 0.00 -0.59 0.00 0.07 0.00 0.00 56.30 55.78 1f4h h ASN 753 Cb 0.00 0.00 -0.08 0.00 -2.07 0.00 0.00 38.32 36.17 1f4h h ASN 753 CO 0.00 0.00 0.36 -0.54 0.07 0.00 0.00 177.43 177.32 1f4h s LYS 754 N -3.31 4.25 0.01 4.14 1.02 -0.63 -1.46 119.74 123.76 1f4h s LYS 754 Ca 0.05 0.93 0.03 0.00 0.02 0.00 0.00 55.97 56.99 1f4h s LYS 754 Cb 0.10 -3.59 -0.01 0.00 -0.52 0.00 0.00 37.83 33.80 1f4h s LYS 754 CO 0.44 -0.36 -0.09 0.50 -0.92 0.00 0.00 175.35 174.92 1f4h s ARG 755 N 2.30 0.70 0.04 1.68 3.52 0.11 -1.19 118.95 126.11 1f4h s ARG 755 Ca 0.36 -0.41 0.07 0.00 -0.13 0.00 0.00 55.73 55.61 1f4h s ARG 755 Cb -0.16 -0.66 -0.02 0.00 -1.56 0.00 0.00 34.95 32.54 1f4h s ARG 755 CO 0.11 0.18 -0.19 -1.58 -0.81 0.00 0.00 175.30 173.00 1f4h s TRP 756 N -0.41 1.66 -0.01 5.12 0.51 0.29 0.77 118.94 126.86 1f4h s TRP 756 Ca 0.02 -0.36 0.02 0.00 -2.12 0.00 0.00 56.10 53.65 1f4h s TRP 756 Cb -0.05 -0.99 0.00 0.00 -0.81 0.00 0.00 33.47 31.63 1f4h s TRP 756 CO -0.00 0.07 -0.07 -1.14 -0.51 0.00 0.00 176.95 175.30 1f4h s GLN 757 N -1.13 0.66 -0.14 4.98 0.74 0.54 -0.14 119.66 125.17 1f4h s GLN 757 Ca 0.06 -0.23 0.01 0.00 0.05 0.00 0.00 55.36 55.25 1f4h s GLN 757 Cb -0.08 -0.64 -0.00 0.00 1.10 0.00 0.00 33.01 33.38 1f4h s GLN 757 CO 0.02 0.10 -0.16 -0.06 -0.55 0.00 0.00 175.29 174.64 1f4h s PHE 758 N 0.08 2.76 -0.32 1.67 0.40 -0.83 -0.49 117.98 121.26 1f4h s PHE 758 Ca -0.01 -0.97 -0.29 0.00 -0.60 0.00 0.00 56.93 55.06 1f4h s PHE 758 Cb -0.06 -1.86 -0.01 0.00 0.51 0.00 0.00 43.02 41.60 1f4h s PHE 758 CO -0.00 -0.42 1.58 1.21 0.70 0.00 0.00 175.22 178.29 1f4h s ASN 759 N 0.69 6.24 0.00 1.36 3.84 0.19 -2.03 114.94 125.23 1f4h s ASN 759 Ca -0.08 1.24 0.09 0.00 0.21 0.00 0.00 52.86 54.32 1f4h s ASN 759 Cb -0.16 -2.53 0.44 0.00 -0.55 0.00 0.00 41.25 38.45 1f4h s ASN 759 CO 0.02 -1.43 1.14 -2.11 -2.79 0.00 0.00 177.10 171.92 1f4h n ARG 760 N 7.99 0.13 -0.05 0.43 1.85 0.88 -1.23 116.66 126.67 1f4h n ARG 760 Ca 0.19 0.19 0.01 0.00 -1.00 0.00 0.00 57.85 57.24 1f4h n ARG 760 Cb 0.47 -1.50 -0.16 0.00 -1.05 0.00 0.00 32.46 30.22 1f4h n ARG 760 CO 0.00 0.00 0.00 1.04 -0.01 0.00 0.00 177.63 178.66 1f4h n GLN 761 N -1.27 0.73 -0.05 2.89 6.02 -1.25 -4.61 117.38 119.84 1f4h n GLN 761 Ca 0.04 -0.10 -0.04 0.00 -0.01 0.00 0.00 57.00 56.89 1f4h n GLN 761 Cb 0.07 -1.50 -0.11 0.00 1.02 0.00 0.00 30.24 29.72 1f4h n GLN 761 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 1f4h n SER 762 N -2.46 1.65 0.00 1.08 3.41 -1.05 -4.85 113.62 111.40 1f4h n SER 762 Ca -0.17 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.44 1f4h n SER 762 Cb 0.83 1.01 0.00 0.00 -0.26 0.00 0.00 64.21 65.79 1f4h n SER 762 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1f4h n GLY 763 N 2.06 0.77 3.75 5.00 0.00 -0.36 -4.74 105.19 111.67 1f4h n GLY 763 Ca -0.18 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.60 1f4h n GLY 763 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1f4h s PHE 764 N -2.24 3.00 -0.60 1.61 0.40 -1.25 -4.85 117.98 114.05 1f4h s PHE 764 Ca 0.00 -0.11 -0.27 0.00 -0.60 0.00 0.00 56.93 55.95 1f4h s PHE 764 Cb 0.00 -1.40 -0.00 0.00 0.51 0.00 0.00 43.02 42.13 1f4h s PHE 764 CO 0.00 0.54 1.61 -1.17 0.70 0.00 0.00 175.22 176.90 1f4h s LEU 765 N -3.39 3.32 0.19 -0.37 2.96 -1.26 -0.64 118.68 119.49 1f4h s LEU 765 Ca 0.31 0.26 0.05 0.00 -0.22 0.00 0.00 54.13 54.52 1f4h s LEU 765 Cb -0.09 -2.78 0.07 0.00 0.50 0.00 0.00 46.19 43.89 1f4h s LEU 765 CO 0.22 -2.02 1.43 0.28 -1.32 0.00 0.00 176.35 174.94 1f4h h SER 766 N 12.69 0.18 -4.71 3.68 0.02 -1.11 -2.97 113.55 121.33 1f4h h SER 766 Ca -0.27 -0.14 0.06 0.00 -0.84 0.00 0.00 61.79 60.60 1f4h h SER 766 Cb 1.12 -0.05 -0.16 0.00 0.14 0.00 0.00 62.40 63.45 1f4h h SER 766 CO 1.20 0.91 0.40 -1.58 -1.14 0.00 0.00 176.83 176.62 1f4h s GLN 767 N -3.29 0.94 -0.13 3.45 2.00 -0.78 -4.43 119.66 117.42 1f4h s GLN 767 Ca -0.02 -0.25 -0.12 0.00 -2.00 0.00 0.00 55.36 52.97 1f4h s GLN 767 Cb 0.11 0.43 0.03 0.00 0.80 0.00 0.00 33.01 34.39 1f4h s GLN 767 CO 0.81 -0.39 0.35 0.00 -0.50 0.00 0.00 175.29 175.56 1f4h s MET 768 N -2.91 0.41 0.00 1.67 0.23 -1.26 -0.34 119.30 117.11 1f4h s MET 768 Ca 0.02 0.49 0.05 0.00 -1.03 0.00 0.00 55.69 55.22 1f4h s MET 768 Cb -0.01 0.19 -0.01 0.00 -1.53 0.00 0.00 34.83 33.47 1f4h s MET 768 CO -0.07 -0.05 -0.15 -1.58 -2.03 0.00 0.00 175.02 171.13 1f4h s TRP 769 N 0.21 1.37 -0.27 3.16 0.51 0.23 -0.13 118.94 124.04 1f4h s TRP 769 Ca -0.00 -0.28 0.01 0.00 -2.12 0.00 0.00 56.10 53.71 1f4h s TRP 769 Cb -0.03 -0.87 0.05 0.00 -0.81 0.00 0.00 33.47 31.82 1f4h s TRP 769 CO 0.00 -0.00 -0.08 0.42 -0.51 0.00 0.00 176.95 176.78 1f4h s ILE 770 N -0.47 2.41 0.00 2.03 1.09 -0.48 -0.71 121.20 125.07 1f4h s ILE 770 Ca 0.05 -1.52 0.00 0.00 -1.10 0.00 0.00 60.65 58.08 1f4h s ILE 770 Cb -0.06 -2.39 0.00 0.00 -1.06 0.00 0.00 42.46 38.95 1f4h s ILE 770 CO -0.00 -0.02 0.00 0.61 -0.10 0.00 0.00 174.94 175.43 1f4h n GLY 771 N 4.50 1.86 1.25 6.18 0.00 -0.54 -1.89 105.19 116.55 1f4h n GLY 771 Ca -0.14 -0.50 0.08 0.00 0.00 0.00 0.00 46.02 45.46 1f4h n GLY 771 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1f4h n ASP 772 N 4.45 4.53 -4.52 1.61 5.68 -1.26 -4.90 116.55 122.15 1f4h n ASP 772 Ca 0.00 -2.96 -0.41 0.00 -0.50 0.00 0.00 54.79 50.92 1f4h n ASP 772 Cb 0.00 -0.59 -0.09 0.00 -1.14 0.00 0.00 41.12 39.30 1f4h n ASP 772 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 1f4h s LYS 773 N -2.75 3.37 0.54 0.11 3.01 -0.79 -5.09 119.74 118.13 1f4h s LYS 773 Ca 0.46 -0.62 -0.18 0.00 -1.01 0.00 0.00 55.97 54.63 1f4h s LYS 773 Cb 0.36 -3.87 -0.06 0.00 -1.01 0.00 0.00 37.83 33.26 1f4h s LYS 773 CO 0.12 -0.61 1.04 0.15 0.51 0.00 0.00 175.35 176.55 1f4h s LYS 774 N 1.94 3.61 -0.05 1.68 1.02 -1.26 -1.38 119.74 125.30 1f4h s LYS 774 Ca 0.10 1.23 0.01 0.00 0.02 0.00 0.00 55.97 57.33 1f4h s LYS 774 Cb -0.17 -2.07 -0.03 0.00 -0.52 0.00 0.00 37.83 35.03 1f4h s LYS 774 CO 0.12 -0.58 -0.04 1.04 -0.92 0.00 0.00 175.35 174.97 1f4h n GLN 775 N -1.53 0.53 -3.09 1.68 1.13 0.82 -4.85 117.38 112.07 1f4h n GLN 775 Ca 0.09 0.02 -0.26 0.00 -1.94 0.00 0.00 57.00 54.91 1f4h n GLN 775 Cb 0.53 -1.10 -0.01 0.00 0.11 0.00 0.00 30.24 29.77 1f4h n GLN 775 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1f4h s LEU 776 N -5.15 3.88 0.00 1.08 1.43 -1.26 0.35 118.68 119.01 1f4h s LEU 776 Ca -0.06 0.70 0.00 0.00 -1.03 0.00 0.00 54.13 53.74 1f4h s LEU 776 Cb 0.02 -3.59 0.00 0.00 0.03 0.00 0.00 46.19 42.65 1f4h s LEU 776 CO 0.12 -0.37 0.00 0.18 0.23 0.00 0.00 176.35 176.50 1f4h n LEU 777 N -1.74 0.00 -3.71 1.79 7.99 0.16 -4.69 117.00 116.81 1f4h n LEU 777 Ca -0.02 -0.05 -0.18 0.00 -0.01 0.00 0.00 56.01 55.76 1f4h n LEU 777 Cb 0.55 0.00 -0.17 0.00 -0.11 0.00 0.00 43.42 43.69 1f4h n LEU 777 CO 0.50 0.00 -0.32 -0.89 -1.51 0.00 0.00 177.39 175.17 1f4h s THR 778 N -1.89 -0.11 0.34 -5.08 2.01 -1.05 -4.90 115.64 104.95 1f4h s THR 778 Ca 0.00 0.34 -0.25 0.00 0.31 0.00 0.00 61.69 62.09 1f4h s THR 778 Cb 0.00 -0.15 -0.14 0.00 0.01 0.00 0.00 72.50 72.22 1f4h s THR 778 CO 0.00 0.14 0.66 -2.65 -0.69 0.00 0.00 174.62 172.08 1f4h n PRO 779 N 4.87 0.66 -2.29 4.92 -0.01 -1.26 -3.40 135.00 138.49 1f4h n PRO 779 Ca -0.13 0.24 -0.42 0.00 -0.01 0.00 0.00 63.50 63.18 1f4h n PRO 779 Cb 0.50 -1.48 -0.02 0.00 -0.01 0.00 0.00 33.50 32.48 1f4h n PRO 779 CO 0.00 0.00 0.00 -1.17 -0.01 0.00 0.00 175.50 174.32 1f4h s LEU 780 N 1.72 3.47 0.52 2.45 2.96 -1.12 -4.54 118.68 124.14 1f4h s LEU 780 Ca 0.62 0.63 0.01 0.00 -0.22 0.00 0.00 54.13 55.17 1f4h s LEU 780 Cb -0.70 -3.25 0.00 0.00 0.50 0.00 0.00 46.19 42.74 1f4h s LEU 780 CO 0.58 -1.67 0.06 -0.13 -1.32 0.00 0.00 176.35 173.88 1f4h s ARG 781 N 5.46 2.22 0.36 1.98 0.52 0.16 -4.21 118.95 125.44 1f4h s ARG 781 Ca 0.61 -2.37 -0.18 0.00 -0.52 0.00 0.00 55.73 53.26 1f4h s ARG 781 Cb -0.13 -1.61 -0.10 0.00 0.52 0.00 0.00 34.95 33.63 1f4h s ARG 781 CO 0.29 -0.43 0.83 -0.51 0.02 0.00 0.00 175.30 175.51 1f4h s ASP 782 N -3.95 6.88 -0.04 0.23 1.11 -1.26 0.04 116.67 119.68 1f4h s ASP 782 Ca 0.08 1.48 0.01 0.00 0.18 0.00 0.00 52.55 54.30 1f4h s ASP 782 Cb 0.00 -2.45 0.02 0.00 1.07 0.00 0.00 42.92 41.56 1f4h s ASP 782 CO 0.05 -0.25 -0.02 -1.58 1.18 0.00 0.00 175.17 174.54 1f4h s GLN 783 N -2.97 0.61 -0.03 8.23 0.74 0.25 -4.81 119.66 121.68 1f4h s GLN 783 Ca 0.57 -0.02 0.09 0.00 0.05 0.00 0.00 55.36 56.05 1f4h s GLN 783 Cb -0.10 -0.71 -0.13 0.00 1.10 0.00 0.00 33.01 33.16 1f4h s GLN 783 CO 0.16 -0.12 0.16 1.19 -0.55 0.00 0.00 175.29 176.13 1f4h n PHE 784 N 4.17 0.00 -4.10 1.67 3.01 -1.26 -2.09 117.46 118.86 1f4h n PHE 784 Ca -0.24 0.00 -0.28 0.00 1.01 0.00 0.00 57.45 57.94 1f4h n PHE 784 Cb 0.51 -0.25 -0.03 0.00 -0.01 0.00 0.00 39.48 39.70 1f4h n PHE 784 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 1f4h s THR 785 N -2.53 1.57 0.06 4.37 -4.23 -1.26 -1.84 115.64 111.78 1f4h s THR 785 Ca -0.03 -1.62 -0.03 0.00 -1.18 0.00 0.00 61.69 58.83 1f4h s THR 785 Cb 0.05 -2.19 -0.03 0.00 1.34 0.00 0.00 72.50 71.67 1f4h s THR 785 CO 0.36 0.00 0.02 0.00 -0.54 0.00 0.00 174.62 174.46 1f4h s ARG 786 N -4.17 0.65 -0.40 3.99 1.70 -1.26 -4.69 118.95 114.77 1f4h s ARG 786 Ca 0.27 -1.16 -0.28 0.00 -0.47 0.00 0.00 55.73 54.10 1f4h s ARG 786 Cb -0.01 0.24 -0.00 0.00 -0.57 0.00 0.00 34.95 34.60 1f4h s ARG 786 CO 0.17 -0.14 1.60 0.00 -1.08 0.00 0.00 175.30 175.85 1f4h s ALA 787 N -3.87 2.90 0.01 7.88 0.00 -1.26 -4.88 121.76 122.54 1f4h s ALA 787 Ca 0.06 -0.06 -0.38 0.00 0.00 0.00 0.00 51.96 51.58 1f4h s ALA 787 Cb 0.07 -4.01 -0.17 0.00 0.00 0.00 0.00 23.12 19.01 1f4h s ALA 787 CO -0.10 -2.64 1.33 -2.30 0.00 0.00 0.00 175.76 172.06 1f4h n PRO 788 N 8.34 0.87 -1.63 0.00 -0.02 -1.26 0.17 135.00 141.47 1f4h n PRO 788 Ca 0.19 0.31 -0.31 0.00 -2.02 0.00 0.00 63.50 61.68 1f4h n PRO 788 Cb 0.48 -1.93 0.05 0.00 -0.02 0.00 0.00 33.50 32.08 1f4h n PRO 788 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1f4h s LEU 789 N 0.78 3.08 0.26 2.45 1.43 -1.26 -4.51 118.68 120.91 1f4h s LEU 789 Ca 0.88 1.53 -0.03 0.00 -1.03 0.00 0.00 54.13 55.48 1f4h s LEU 789 Cb -1.05 -4.41 0.40 0.00 0.03 0.00 0.00 46.19 41.17 1f4h s LEU 789 CO 0.52 -1.40 1.86 0.44 0.23 0.00 0.00 176.35 178.00 1f4h h ASP 790 N -0.69 0.94 0.05 2.29 3.32 -1.83 -0.02 116.42 120.48 1f4h h ASP 790 Ca -0.44 0.02 -0.01 0.00 0.02 0.00 0.00 57.03 56.61 1f4h h ASP 790 Cb 1.21 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 40.58 1f4h h ASP 790 CO 0.58 0.59 -0.06 0.78 -1.72 0.00 0.00 179.24 179.41 1f4h h ASN 791 N 1.07 0.03 0.57 6.45 2.35 -1.81 0.13 115.58 124.37 1f4h h ASN 791 Ca 0.42 -0.00 -0.18 0.00 -0.55 0.00 0.00 56.30 55.99 1f4h h ASN 791 Cb 0.22 -0.01 -0.01 0.00 0.05 0.00 0.00 38.32 38.57 1f4h h ASN 791 CO -0.19 0.09 -0.80 0.44 -1.65 0.00 0.00 177.43 175.33 1f4h h ASP 792 N 0.03 0.20 0.04 5.81 3.32 -1.35 -3.32 116.42 121.16 1f4h h ASP 792 Ca 0.01 -0.15 -0.00 0.00 0.02 0.00 0.00 57.03 56.90 1f4h h ASP 792 Cb 0.12 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.61 1f4h h ASP 792 CO 0.01 0.92 -0.02 0.40 -1.72 0.00 0.00 179.24 178.82 1f4h h ILE 793 N 0.10 0.79 0.00 0.35 2.04 -0.50 -1.55 117.51 118.73 1f4h h ILE 793 Ca -0.03 -1.50 0.00 0.00 1.00 0.00 0.00 64.86 64.34 1f4h h ILE 793 Cb 1.39 1.46 0.00 0.00 -0.74 0.00 0.00 36.82 38.93 1f4h h ILE 793 CO 0.12 0.26 0.00 0.61 0.00 0.00 0.00 178.15 179.13 1f4h n GLY 794 N 1.48 1.64 1.42 5.37 0.00 0.36 -3.25 105.19 112.22 1f4h n GLY 794 Ca -0.05 -0.47 -0.07 0.00 0.00 0.00 0.00 46.02 45.43 1f4h n GLY 794 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1f4h n VAL 795 N 0.00 2.70 -3.03 1.61 0.24 -1.26 -4.89 118.33 113.69 1f4h n VAL 795 Ca 0.00 -2.42 -0.42 0.00 -2.04 0.00 0.00 64.34 59.46 1f4h n VAL 795 Cb 0.00 -0.35 -0.06 0.00 -1.47 0.00 0.00 33.84 31.96 1f4h n VAL 795 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1f4h s SER 796 N -2.12 6.49 0.51 -1.34 0.15 -1.20 -4.71 113.70 111.47 1f4h s SER 796 Ca 0.48 0.25 0.07 0.00 0.70 0.00 0.00 55.95 57.45 1f4h s SER 796 Cb 0.42 -2.36 0.03 0.00 -1.71 0.00 0.00 66.02 62.40 1f4h s SER 796 CO 0.04 -0.66 0.47 -1.61 1.20 0.00 0.00 173.24 172.68 1f4h s GLU 797 N 2.90 2.36 0.13 5.44 2.02 0.78 -4.94 118.70 127.38 1f4h s GLU 797 Ca 0.28 -1.78 -0.12 0.00 0.02 0.00 0.00 54.97 53.38 1f4h s GLU 797 Cb -0.14 -2.31 -0.09 0.00 0.10 0.00 0.00 34.13 31.70 1f4h s GLU 797 CO 0.16 -0.52 1.40 0.00 0.02 0.00 0.00 175.26 176.32 1f4h h ALA 798 N 0.73 0.46 0.00 5.21 0.00 -2.02 -3.30 119.26 120.34 1f4h h ALA 798 Ca -0.37 -0.52 -0.10 0.00 0.00 0.00 0.00 54.91 53.92 1f4h h ALA 798 Cb 1.29 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 1f4h h ALA 798 CO 0.54 0.68 -0.48 1.15 0.00 0.00 0.00 179.25 181.14 1f4h h THR 799 N 0.67 0.97 -2.67 0.00 2.02 -2.01 -3.43 112.91 108.44 1f4h h THR 799 Ca 0.01 -1.93 -0.22 0.00 0.77 0.00 0.00 66.41 65.04 1f4h h THR 799 Cb 1.17 2.18 -0.32 0.00 -1.74 0.00 0.00 68.15 69.44 1f4h h THR 799 CO 0.12 0.47 -0.53 -0.60 0.37 0.00 0.00 175.52 175.36 1f4h s ARG 800 N -3.32 0.19 -0.14 6.66 3.52 -1.24 -5.17 118.95 119.45 1f4h s ARG 800 Ca 0.01 0.66 -0.06 0.00 -0.13 0.00 0.00 55.73 56.21 1f4h s ARG 800 Cb 0.10 -0.25 -0.04 0.00 -1.56 0.00 0.00 34.95 33.20 1f4h s ARG 800 CO 0.72 -0.38 0.08 0.42 -0.81 0.00 0.00 175.30 175.32 1f4h s ILE 801 N 2.43 4.94 -0.44 4.11 1.01 -1.25 -0.16 121.20 131.86 1f4h s ILE 801 Ca 0.03 0.00 -0.12 0.00 0.00 0.00 0.00 60.65 60.57 1f4h s ILE 801 Cb -0.13 -3.16 0.07 0.00 0.01 0.00 0.00 42.46 39.25 1f4h s ILE 801 CO -0.10 0.55 0.31 -0.62 0.00 0.00 0.00 174.94 175.08 1f4h s ASP 802 N -0.45 5.86 0.00 3.58 2.15 -1.26 -4.95 116.67 121.60 1f4h s ASP 802 Ca 0.10 -1.38 0.12 0.00 0.43 0.00 0.00 52.55 51.83 1f4h s ASP 802 Cb -0.12 -2.07 0.52 0.00 -0.30 0.00 0.00 42.92 40.95 1f4h s ASP 802 CO 0.02 -0.57 1.38 -0.81 -0.17 0.00 0.00 175.17 175.03 1f4h n PRO 803 N 5.04 0.01 0.08 4.34 -0.04 -1.26 -2.07 135.00 141.10 1f4h n PRO 803 Ca -0.11 0.29 0.10 0.00 -0.04 0.00 0.00 63.50 63.74 1f4h n PRO 803 Cb 0.44 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.37 1f4h n PRO 803 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1f4h n ASN 804 N -1.49 0.75 -4.74 3.54 4.05 -1.26 -4.26 115.26 111.85 1f4h n ASN 804 Ca 0.03 0.30 -0.42 0.00 0.45 0.00 0.00 54.58 54.94 1f4h n ASN 804 Cb 0.14 0.59 -0.01 0.00 1.23 0.00 0.00 39.78 41.73 1f4h n ASN 804 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1f4h n ALA 805 N -2.22 2.16 -0.21 5.20 0.00 -0.88 -4.68 120.51 119.88 1f4h n ALA 805 Ca -0.02 0.36 0.02 0.00 0.00 0.00 0.00 53.44 53.80 1f4h n ALA 805 Cb 0.59 -2.40 0.12 0.00 0.00 0.00 0.00 19.45 17.77 1f4h n ALA 805 CO 0.00 0.00 0.00 -1.49 0.00 0.00 0.00 177.50 176.01 1f4h h TRP 806 N 3.69 0.16 -0.11 0.00 4.06 -1.78 -2.45 115.95 119.52 1f4h h TRP 806 Ca -0.48 0.04 0.02 0.00 2.06 0.00 0.00 58.89 60.53 1f4h h TRP 806 Cb 1.24 0.03 -0.02 0.00 -1.00 0.00 0.00 29.16 29.41 1f4h h TRP 806 CO 0.55 -0.08 -0.02 -0.24 -3.56 0.00 0.00 178.44 175.09 1f4h h VAL 807 N 0.22 0.90 -0.96 1.49 3.04 -1.62 0.15 116.25 119.48 1f4h h VAL 807 Ca 0.34 -0.00 0.24 0.00 -1.01 0.00 0.00 66.70 66.26 1f4h h VAL 807 Cb 0.54 0.89 -0.07 0.00 -2.01 0.00 0.00 31.29 30.64 1f4h h VAL 807 CO -0.46 0.00 0.64 -0.33 -1.01 0.00 0.00 177.57 176.42 1f4h h GLU 808 N 0.01 0.31 0.04 4.17 4.39 -1.71 1.53 114.58 123.32 1f4h h GLU 808 Ca 0.05 -0.02 -0.12 0.00 0.34 0.00 0.00 59.36 59.61 1f4h h GLU 808 Cb 0.07 -0.07 0.01 0.00 -0.10 0.00 0.00 28.75 28.66 1f4h h GLU 808 CO -0.10 0.20 -0.51 0.00 -1.16 0.00 0.00 179.01 177.45 1f4h h ARG 809 N 0.32 0.28 -0.55 2.33 3.08 -0.94 -1.23 114.38 117.66 1f4h h ARG 809 Ca 0.51 -0.35 -0.05 0.00 0.07 0.00 0.00 59.98 60.16 1f4h h ARG 809 Cb 1.42 0.11 -0.02 0.00 0.08 0.00 0.00 29.97 31.55 1f4h h ARG 809 CO -0.18 1.08 0.17 -1.49 -1.07 0.00 0.00 179.97 178.48 1f4h h TRP 810 N -0.36 0.89 0.46 3.04 6.55 0.40 -1.29 115.95 125.63 1f4h h TRP 810 Ca -0.07 -0.09 -0.01 0.00 0.95 0.00 0.00 58.89 59.66 1f4h h TRP 810 Cb 1.29 -0.26 -0.02 0.00 -0.86 0.00 0.00 29.16 29.31 1f4h h TRP 810 CO 0.18 0.76 -0.41 0.87 -1.05 0.00 0.00 178.44 178.80 1f4h h LYS 811 N 0.77 -0.83 -0.49 0.49 1.57 0.21 -2.75 116.57 115.54 1f4h h LYS 811 Ca 0.18 0.06 0.08 0.00 -1.87 0.00 0.00 60.65 59.09 1f4h h LYS 811 Cb 0.29 0.19 -0.03 0.00 0.08 0.00 0.00 32.23 32.76 1f4h h LYS 811 CO -0.00 -0.55 0.33 0.00 -0.57 0.00 0.00 179.45 178.65 1f4h h ALA 812 N -0.52 2.02 0.00 3.86 0.00 -1.07 -1.10 119.26 122.45 1f4h h ALA 812 Ca -0.04 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 1f4h h ALA 812 Cb 0.75 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 1f4h h ALA 812 CO -0.04 -0.12 -0.00 0.00 0.00 0.00 0.00 179.25 179.09 1f4h h ALA 813 N 1.74 1.00 0.00 0.00 0.00 -0.96 -3.47 119.26 117.57 1f4h h ALA 813 Ca 0.22 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1f4h h ALA 813 Cb 0.43 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1f4h h ALA 813 CO -0.05 0.01 0.00 0.41 0.00 0.00 0.00 179.25 179.61 1f4h n GLY 814 N 0.22 2.08 0.00 0.00 0.00 -0.42 -4.89 105.19 102.19 1f4h n GLY 814 Ca 0.01 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.93 1f4h n GLY 814 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1f4h n HIS 815 N 0.00 0.00 0.33 1.61 8.25 -1.18 0.29 115.22 124.51 1f4h n HIS 815 Ca 0.00 0.00 0.22 0.00 -0.26 0.00 0.00 57.72 57.68 1f4h n HIS 815 Cb 0.00 -0.43 1.15 0.00 1.12 0.00 0.00 29.99 31.83 1f4h n HIS 815 CO 0.00 0.00 0.00 1.88 0.64 0.00 0.00 176.34 178.86 1f4h h TYR 816 N 0.00 0.00 -0.31 4.41 -1.99 -1.84 -3.25 116.97 113.99 1f4h h TYR 816 Ca 0.00 0.00 -0.22 0.00 2.00 0.00 0.00 58.73 60.51 1f4h h TYR 816 Cb 0.00 0.00 -0.40 0.00 2.00 0.00 0.00 36.73 38.33 1f4h h TYR 816 CO 0.00 0.00 -1.09 0.00 -0.00 0.00 0.00 178.16 177.07 1f4h n GLN 817 N -3.09 1.24 -2.70 4.88 10.64 0.83 -5.07 117.38 124.12 1f4h n GLN 817 Ca -0.02 -3.07 -0.32 0.00 -1.83 0.00 0.00 57.00 51.75 1f4h n GLN 817 Cb 0.11 -1.15 -0.05 0.00 -0.86 0.00 0.00 30.24 28.29 1f4h n GLN 817 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1f4h s ALA 818 N -2.69 3.16 -0.14 2.61 0.00 -1.02 -4.95 121.76 118.72 1f4h s ALA 818 Ca 0.29 0.13 -0.05 0.00 0.00 0.00 0.00 51.96 52.33 1f4h s ALA 818 Cb 0.34 -2.99 -0.04 0.00 0.00 0.00 0.00 23.12 20.43 1f4h s ALA 818 CO -0.08 -0.02 0.05 -1.21 0.00 0.00 0.00 175.76 174.50 1f4h s GLU 819 N -3.66 3.55 0.84 0.00 0.41 -1.05 -4.85 118.70 113.94 1f4h s GLU 819 Ca 0.57 -0.33 -0.11 0.00 -0.41 0.00 0.00 54.97 54.69 1f4h s GLU 819 Cb -0.10 -3.06 0.10 0.00 -1.78 0.00 0.00 34.13 29.28 1f4h s GLU 819 CO 0.25 0.50 1.09 0.00 -0.49 0.00 0.00 175.26 176.61 1f4h s ALA 820 N -0.29 1.88 -0.20 5.21 0.00 -1.26 -2.63 121.76 124.47 1f4h s ALA 820 Ca 0.08 0.05 -0.05 0.00 0.00 0.00 0.00 51.96 52.04 1f4h s ALA 820 Cb -0.12 -3.21 0.07 0.00 0.00 0.00 0.00 23.12 19.86 1f4h s ALA 820 CO 0.02 -2.07 0.11 0.00 0.00 0.00 0.00 175.76 173.82 1f4h s ALA 821 N -2.94 0.38 -0.40 0.00 0.00 -0.39 -4.92 121.76 113.49 1f4h s ALA 821 Ca 0.62 -0.42 -0.27 0.00 0.00 0.00 0.00 51.96 51.90 1f4h s ALA 821 Cb -0.17 -1.15 -0.05 0.00 0.00 0.00 0.00 23.12 21.75 1f4h s ALA 821 CO 0.56 -1.29 2.23 -1.17 0.00 0.00 0.00 175.76 176.10 1f4h s LEU 822 N 2.15 3.41 -0.09 0.00 1.98 -1.26 -1.64 118.68 123.24 1f4h s LEU 822 Ca 0.04 1.27 -0.17 0.00 -2.89 0.00 0.00 54.13 52.38 1f4h s LEU 822 Cb -0.16 -2.92 -0.28 0.00 0.66 0.00 0.00 46.19 43.49 1f4h s LEU 822 CO -0.16 -2.43 0.64 -0.07 -1.89 0.00 0.00 176.35 172.44 1f4h h LEU 823 N 17.30 0.40 -7.12 -0.68 3.38 -0.97 -3.49 115.31 124.14 1f4h h LEU 823 Ca -0.31 -0.87 -0.07 0.00 0.09 0.00 0.00 57.88 56.72 1f4h h LEU 823 Cb 1.24 -0.13 -0.21 0.00 0.09 0.00 0.00 40.66 41.65 1f4h h LEU 823 CO 1.09 1.56 0.03 -1.58 0.09 0.00 0.00 178.44 179.63 1f4h s GLN 824 N -2.46 0.81 -0.26 1.13 0.74 -0.94 -4.96 119.66 113.71 1f4h s GLN 824 Ca -0.18 0.58 -0.02 0.00 0.05 0.00 0.00 55.36 55.78 1f4h s GLN 824 Cb 0.04 0.39 0.15 0.00 1.10 0.00 0.00 33.01 34.68 1f4h s GLN 824 CO 0.78 -0.16 0.43 0.00 -0.55 0.00 0.00 175.29 175.79 1f4h s THR 826 N 2.62 0.03 -0.17 0.00 -4.23 0.44 -4.97 115.64 109.35 1f4h s THR 826 Ca 0.14 0.28 -0.10 0.00 -1.18 0.00 0.00 61.69 60.84 1f4h s THR 826 Cb -0.15 -0.22 -0.05 0.00 1.34 0.00 0.00 72.50 73.42 1f4h s THR 826 CO -0.18 0.17 0.16 0.00 -0.54 0.00 0.00 174.62 174.23 1f4h s ALA 827 N 1.76 3.73 0.18 3.99 0.00 -1.26 -1.30 121.76 128.86 1f4h s ALA 827 Ca 0.00 -0.64 0.10 0.00 0.00 0.00 0.00 51.96 51.42 1f4h s ALA 827 Cb -0.12 -2.15 -0.04 0.00 0.00 0.00 0.00 23.12 20.80 1f4h s ALA 827 CO -0.03 0.28 -0.22 -0.51 0.00 0.00 0.00 175.76 175.28 1f4h s ASP 828 N -0.01 3.12 -0.26 0.00 -0.00 0.14 -4.98 116.67 114.68 1f4h s ASP 828 Ca 0.11 -0.85 -0.05 0.00 -0.00 0.00 0.00 52.55 51.76 1f4h s ASP 828 Cb -0.12 -0.21 0.01 0.00 -0.00 0.00 0.00 42.92 42.60 1f4h s ASP 828 CO 0.00 0.06 0.01 -0.89 -0.00 0.00 0.00 175.17 174.36 1f4h s THR 829 N -1.76 3.56 0.67 -1.27 2.01 -1.26 -0.20 115.64 117.39 1f4h s THR 829 Ca 0.18 -0.70 0.01 0.00 0.31 0.00 0.00 61.69 61.49 1f4h s THR 829 Cb -0.07 -2.77 0.10 0.00 0.01 0.00 0.00 72.50 69.77 1f4h s THR 829 CO 0.08 0.21 0.93 -0.76 -0.69 0.00 0.00 174.62 174.39 1f4h s LEU 830 N 1.46 3.05 0.17 4.42 2.01 -0.32 -5.00 118.68 124.47 1f4h s LEU 830 Ca 0.03 -0.32 -0.16 0.00 0.01 0.00 0.00 54.13 53.69 1f4h s LEU 830 Cb -0.16 -2.15 0.11 0.00 0.01 0.00 0.00 46.19 44.00 1f4h s LEU 830 CO -0.01 -1.66 1.68 0.00 1.01 0.00 0.00 176.35 177.38 1f4h h ALA 831 N -0.34 0.34 0.00 4.21 0.00 -2.02 -3.32 119.26 118.13 1f4h h ALA 831 Ca -0.37 0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1f4h h ALA 831 Cb 1.28 0.25 0.00 0.00 0.00 0.00 0.00 17.79 19.31 1f4h h ALA 831 CO 0.43 -0.42 -0.11 -0.40 0.00 0.00 0.00 179.25 178.75 1f4h n ASP 832 N -5.24 1.09 -3.98 0.00 5.68 -1.26 -5.05 116.55 107.78 1f4h n ASP 832 Ca 0.03 -1.97 -0.10 0.00 -0.50 0.00 0.00 54.79 52.25 1f4h n ASP 832 Cb 0.22 -0.14 -0.07 0.00 -1.14 0.00 0.00 41.12 39.99 1f4h n ASP 832 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1f4h s ALA 833 N -0.93 0.08 -0.08 2.12 0.00 -1.25 -3.49 121.76 118.22 1f4h s ALA 833 Ca 0.07 -0.96 0.03 0.00 0.00 0.00 0.00 51.96 51.10 1f4h s ALA 833 Cb 0.06 0.91 -0.02 0.00 0.00 0.00 0.00 23.12 24.07 1f4h s ALA 833 CO 0.01 -0.65 -0.16 0.08 0.00 0.00 0.00 175.76 175.03 1f4h s VAL 834 N -3.99 2.87 -0.24 0.00 1.01 0.51 -1.17 120.40 119.39 1f4h s VAL 834 Ca 0.19 -0.76 -0.03 0.00 0.00 0.00 0.00 61.98 61.38 1f4h s VAL 834 Cb 0.03 -2.15 0.01 0.00 0.00 0.00 0.00 36.38 34.28 1f4h s VAL 834 CO 0.02 0.56 -0.03 -0.22 0.00 0.00 0.00 175.10 175.42 1f4h s LEU 835 N -0.19 3.13 -0.08 3.92 2.96 0.73 -1.67 118.68 127.47 1f4h s LEU 835 Ca -0.00 -0.64 -0.07 0.00 -0.22 0.00 0.00 54.13 53.20 1f4h s LEU 835 Cb -0.13 -1.72 -0.04 0.00 0.50 0.00 0.00 46.19 44.79 1f4h s LEU 835 CO 0.03 -0.09 0.18 -0.63 -1.32 0.00 0.00 176.35 174.52 1f4h s ILE 836 N 1.42 5.44 -0.16 6.68 -1.09 0.54 0.28 121.20 134.31 1f4h s ILE 836 Ca 0.03 0.22 -0.04 0.00 -2.23 0.00 0.00 60.65 58.63 1f4h s ILE 836 Cb -0.16 -3.46 0.06 0.00 -1.58 0.00 0.00 42.46 37.32 1f4h s ILE 836 CO -0.03 0.56 0.07 -0.89 -1.23 0.00 0.00 174.94 173.41 1f4h s THR 837 N -1.09 0.13 0.49 2.92 2.01 -0.42 0.61 115.64 120.29 1f4h s THR 837 Ca 0.18 -0.23 0.05 0.00 0.31 0.00 0.00 61.69 62.00 1f4h s THR 837 Cb -0.13 -0.68 -0.01 0.00 0.01 0.00 0.00 72.50 71.69 1f4h s THR 837 CO 0.08 -0.19 0.19 0.42 -0.69 0.00 0.00 174.62 174.43 1f4h s THR 838 N 2.04 1.69 -0.29 -0.82 -4.23 -0.58 -0.42 115.64 113.04 1f4h s THR 838 Ca 0.01 -1.73 -0.15 0.00 -1.18 0.00 0.00 61.69 58.64 1f4h s THR 838 Cb -0.16 -2.42 0.10 0.00 1.34 0.00 0.00 72.50 71.36 1f4h s THR 838 CO -0.08 0.00 0.72 0.00 -0.54 0.00 0.00 174.62 174.72 1f4h s ALA 839 N -2.76 -1.99 0.09 3.99 0.00 0.97 -2.14 121.76 119.92 1f4h s ALA 839 Ca 0.27 2.37 0.03 0.00 0.00 0.00 0.00 51.96 54.63 1f4h s ALA 839 Cb 0.01 -1.56 -0.04 0.00 0.00 0.00 0.00 23.12 21.54 1f4h s ALA 839 CO 0.15 -0.51 -0.08 -1.01 0.00 0.00 0.00 175.76 174.31 1f4h s HIS 840 N 1.90 0.92 0.01 0.00 3.76 -1.01 -0.25 115.29 120.62 1f4h s HIS 840 Ca -0.09 -0.71 0.08 0.00 -0.15 0.00 0.00 55.06 54.20 1f4h s HIS 840 Cb -0.06 -0.52 -0.02 0.00 1.11 0.00 0.00 32.58 33.08 1f4h s HIS 840 CO -0.19 -0.07 -0.25 0.00 -0.85 0.00 0.00 174.74 173.38 1f4h s ALA 841 N -2.62 2.13 -0.16 -1.40 0.00 -0.65 -2.02 121.76 117.04 1f4h s ALA 841 Ca 0.04 -1.16 -0.05 0.00 0.00 0.00 0.00 51.96 50.79 1f4h s ALA 841 Cb -0.02 -0.49 -0.04 0.00 0.00 0.00 0.00 23.12 22.58 1f4h s ALA 841 CO -0.02 0.51 0.02 -1.58 0.00 0.00 0.00 175.76 174.70 1f4h s TRP 842 N -0.70 3.18 0.03 0.00 0.51 0.16 -1.26 118.94 120.87 1f4h s TRP 842 Ca 0.10 -0.01 -0.08 0.00 -2.12 0.00 0.00 56.10 54.00 1f4h s TRP 842 Cb -0.10 -1.99 0.00 0.00 -0.81 0.00 0.00 33.47 30.57 1f4h s TRP 842 CO 0.01 0.17 0.16 1.14 -0.51 0.00 0.00 176.95 177.91 1f4h s GLN 843 N 0.13 0.61 -0.04 4.98 -2.07 -1.08 -0.45 119.66 121.74 1f4h s GLN 843 Ca 0.03 -0.58 -0.03 0.00 -1.82 0.00 0.00 55.36 52.96 1f4h s GLN 843 Cb -0.13 0.25 0.02 0.00 -1.09 0.00 0.00 33.01 32.06 1f4h s GLN 843 CO 0.01 -0.16 0.09 -1.58 -1.32 0.00 0.00 175.29 172.34 1f4h s HIS 844 N -2.21 -0.10 -0.85 9.60 2.46 -0.67 -2.52 115.29 120.99 1f4h s HIS 844 Ca -0.08 0.28 -0.07 0.00 0.47 0.00 0.00 55.06 55.66 1f4h s HIS 844 Cb -0.03 -0.01 0.06 0.00 -0.13 0.00 0.00 32.58 32.47 1f4h s HIS 844 CO -0.02 -0.07 0.24 1.04 -2.47 0.00 0.00 174.74 173.45 1f4h n GLN 845 N 3.37 -2.60 -3.29 2.88 1.13 -1.26 -0.04 117.38 117.57 1f4h n GLN 845 Ca -0.17 0.26 -0.16 0.00 -1.94 0.00 0.00 57.00 54.99 1f4h n GLN 845 Cb 0.57 -4.85 0.08 0.00 0.11 0.00 0.00 30.24 26.15 1f4h n GLN 845 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1f4h n GLY 846 N -0.83 -0.28 2.94 1.08 0.00 -1.26 -5.03 105.19 101.81 1f4h n GLY 846 Ca -0.01 0.05 -0.20 0.00 0.00 0.00 0.00 46.02 45.87 1f4h n GLY 846 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1f4h s LYS 847 N -5.45 0.86 -0.36 1.61 2.47 0.95 -5.09 119.74 114.73 1f4h s LYS 847 Ca 0.14 -0.19 -0.25 0.00 -1.56 0.00 0.00 55.97 54.11 1f4h s LYS 847 Cb -0.06 -0.82 0.01 0.00 -1.46 0.00 0.00 37.83 35.50 1f4h s LYS 847 CO 0.63 0.01 0.90 0.99 0.16 0.00 0.00 175.35 178.04 1f4h s THR 848 N 0.53 4.62 -0.10 3.43 2.01 -1.26 -1.68 115.64 123.19 1f4h s THR 848 Ca -0.07 1.15 -0.08 0.00 0.31 0.00 0.00 61.69 63.00 1f4h s THR 848 Cb -0.11 -4.30 -0.07 0.00 0.01 0.00 0.00 72.50 68.03 1f4h s THR 848 CO 0.00 -0.50 0.22 -0.07 -0.69 0.00 0.00 174.62 173.59 1f4h h LEU 849 N 9.97 -0.03 -9.64 4.42 3.38 -1.13 -3.42 115.31 118.87 1f4h h LEU 849 Ca -0.23 -0.23 -0.60 0.00 0.09 0.00 0.00 57.88 56.91 1f4h h LEU 849 Cb 1.08 0.01 -0.13 0.00 0.09 0.00 0.00 40.66 41.71 1f4h h LEU 849 CO 0.96 0.58 -0.57 -0.36 0.09 0.00 0.00 178.44 179.15 1f4h s PHE 850 N -1.83 2.14 -0.20 1.13 0.40 -1.21 -0.79 117.98 117.63 1f4h s PHE 850 Ca -0.05 -0.88 -0.10 0.00 -0.60 0.00 0.00 56.93 55.31 1f4h s PHE 850 Cb -0.01 -1.55 0.07 0.00 0.51 0.00 0.00 43.02 42.04 1f4h s PHE 850 CO 0.18 0.21 0.46 0.42 0.70 0.00 0.00 175.22 177.18 1f4h s ILE 851 N -2.94 -0.22 -0.17 0.64 1.01 -0.02 -0.66 121.20 118.84 1f4h s ILE 851 Ca 0.26 0.10 0.00 0.00 0.00 0.00 0.00 60.65 61.01 1f4h s ILE 851 Cb 0.07 -0.69 0.03 0.00 0.01 0.00 0.00 42.46 41.88 1f4h s ILE 851 CO 0.13 0.04 -0.10 -0.94 0.00 0.00 0.00 174.94 174.07 1f4h s SER 852 N 1.80 2.96 -0.24 3.58 1.04 -0.86 0.60 113.70 122.59 1f4h s SER 852 Ca -0.07 -0.67 -0.10 0.00 0.48 0.00 0.00 55.95 55.58 1f4h s SER 852 Cb -0.09 -1.11 -0.05 0.00 0.10 0.00 0.00 66.02 64.87 1f4h s SER 852 CO -0.14 -0.13 0.15 -0.13 0.98 0.00 0.00 173.24 173.98 1f4h s ARG 853 N 1.50 4.06 0.16 4.02 0.52 -0.22 -2.41 118.95 126.57 1f4h s ARG 853 Ca 0.02 -0.28 0.02 0.00 -0.52 0.00 0.00 55.73 54.96 1f4h s ARG 853 Cb -0.15 -3.51 -0.05 0.00 0.52 0.00 0.00 34.95 31.77 1f4h s ARG 853 CO -0.09 0.07 -0.01 0.15 0.02 0.00 0.00 175.30 175.45 1f4h s LYS 854 N 1.01 1.07 -0.08 3.54 1.02 -0.91 -1.43 119.74 123.96 1f4h s LYS 854 Ca 0.07 -1.50 -0.03 0.00 0.02 0.00 0.00 55.97 54.53 1f4h s LYS 854 Cb -0.13 -0.26 0.04 0.00 -0.52 0.00 0.00 37.83 36.95 1f4h s LYS 854 CO 0.04 -0.11 0.08 0.95 -0.92 0.00 0.00 175.35 175.39 1f4h s THR 855 N -3.65 -0.13 -0.06 2.17 -4.23 -1.05 -1.52 115.64 107.17 1f4h s THR 855 Ca 0.22 0.29 -0.07 0.00 -1.18 0.00 0.00 61.69 60.94 1f4h s THR 855 Cb 0.06 -0.26 -0.04 0.00 1.34 0.00 0.00 72.50 73.59 1f4h s THR 855 CO 0.03 0.07 0.22 -0.31 -0.54 0.00 0.00 174.62 174.08 1f4h s TYR 856 N 2.18 3.61 -0.04 3.99 1.51 0.20 -2.18 117.35 126.62 1f4h s TYR 856 Ca 0.04 0.59 -0.01 0.00 -1.01 0.00 0.00 57.07 56.68 1f4h s TYR 856 Cb -0.13 -1.99 0.03 0.00 -0.11 0.00 0.00 41.96 39.76 1f4h s TYR 856 CO -0.05 0.68 0.03 0.50 -1.11 0.00 0.00 175.55 175.61 1f4h s ARG 857 N -1.32 0.15 -0.14 -0.62 3.52 -0.41 -0.34 118.95 119.79 1f4h s ARG 857 Ca 0.21 0.25 -0.02 0.00 -0.13 0.00 0.00 55.73 56.04 1f4h s ARG 857 Cb -0.13 -0.60 -0.03 0.00 -1.56 0.00 0.00 34.95 32.64 1f4h s ARG 857 CO 0.10 -0.28 -0.06 0.42 -0.81 0.00 0.00 175.30 174.67 1f4h s ILE 858 N 1.86 3.72 0.49 4.11 1.01 -0.67 -0.68 121.20 131.03 1f4h s ILE 858 Ca 0.02 -0.43 0.02 0.00 0.00 0.00 0.00 60.65 60.26 1f4h s ILE 858 Cb -0.12 -2.60 0.02 0.00 0.01 0.00 0.00 42.46 39.76 1f4h s ILE 858 CO -0.03 0.51 0.14 -0.90 0.00 0.00 0.00 174.94 174.66 1f4h n ASP 859 N 3.35 3.08 0.00 3.58 5.68 -1.18 -0.37 116.55 130.70 1f4h n ASP 859 Ca -0.18 -2.98 0.04 0.00 -0.50 0.00 0.00 54.79 51.18 1f4h n ASP 859 Cb 0.53 0.20 0.18 0.00 -1.14 0.00 0.00 41.12 40.89 1f4h n ASP 859 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1f4h n GLY 860 N -0.88 -0.63 0.16 6.12 0.00 -1.23 -1.75 105.19 106.98 1f4h n GLY 860 Ca -0.13 -0.03 0.05 0.00 0.00 0.00 0.00 46.02 45.90 1f4h n GLY 860 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1f4h h SER 861 N 0.00 0.00 -2.28 1.61 0.02 -1.92 -3.42 113.55 107.56 1f4h h SER 861 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1f4h h SER 861 Cb 0.10 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.64 1f4h h SER 861 CO 0.00 0.37 0.00 0.61 -1.14 0.00 0.00 176.83 176.67 1f4h n GLY 862 N 1.20 0.59 2.94 -3.77 0.00 -0.71 -5.02 105.19 100.42 1f4h n GLY 862 Ca 0.02 -0.42 -0.14 0.00 0.00 0.00 0.00 46.02 45.48 1f4h n GLY 862 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1f4h s GLN 863 N -3.64 0.11 -0.25 1.61 -0.21 -1.26 -4.27 119.66 111.75 1f4h s GLN 863 Ca 0.00 0.59 -0.04 0.00 0.02 0.00 0.00 55.36 55.93 1f4h s GLN 863 Cb 0.00 -0.15 0.01 0.00 1.00 0.00 0.00 33.01 33.86 1f4h s GLN 863 CO 0.00 -0.26 -0.02 0.00 -2.12 0.00 0.00 175.29 172.90 1f4h s MET 864 N 2.00 3.12 -0.23 2.91 0.23 -0.55 -3.09 119.30 123.69 1f4h s MET 864 Ca -0.01 -0.80 -0.23 0.00 -1.03 0.00 0.00 55.69 53.62 1f4h s MET 864 Cb -0.12 -3.09 -0.01 0.00 -1.53 0.00 0.00 34.83 30.08 1f4h s MET 864 CO -0.07 -0.33 0.73 0.00 -2.03 0.00 0.00 175.02 173.32 1f4h s ALA 865 N 1.43 3.61 -0.19 3.16 0.00 0.14 -1.74 121.76 128.17 1f4h s ALA 865 Ca 0.03 -0.24 -0.10 0.00 0.00 0.00 0.00 51.96 51.66 1f4h s ALA 865 Cb -0.16 -3.15 -0.05 0.00 0.00 0.00 0.00 23.12 19.77 1f4h s ALA 865 CO -0.02 -0.80 0.13 0.42 0.00 0.00 0.00 175.76 175.49 1f4h s ILE 866 N 2.51 5.41 -0.14 0.00 1.01 0.40 -1.29 121.20 129.10 1f4h s ILE 866 Ca 0.31 0.19 0.02 0.00 0.00 0.00 0.00 60.65 61.17 1f4h s ILE 866 Cb -0.16 -3.45 0.01 0.00 0.01 0.00 0.00 42.46 38.87 1f4h s ILE 866 CO 0.09 0.46 -0.21 -0.89 0.00 0.00 0.00 174.94 174.39 1f4h s THR 867 N 0.20 2.17 0.00 2.92 2.01 -0.93 0.08 115.64 122.10 1f4h s THR 867 Ca 0.09 -0.95 0.08 0.00 0.31 0.00 0.00 61.69 61.22 1f4h s THR 867 Cb -0.11 -1.87 -0.02 0.00 0.01 0.00 0.00 72.50 70.51 1f4h s THR 867 CO -0.01 0.55 -0.25 -0.69 -0.69 0.00 0.00 174.62 173.52 1f4h s VAL 868 N 0.75 2.15 -0.25 3.82 1.01 0.17 -2.54 120.40 125.51 1f4h s VAL 868 Ca -0.08 -1.20 -0.03 0.00 0.00 0.00 0.00 61.98 60.67 1f4h s VAL 868 Cb -0.16 -1.78 0.11 0.00 0.00 0.00 0.00 36.38 34.55 1f4h s VAL 868 CO -0.00 0.49 0.22 -1.81 0.00 0.00 0.00 175.10 174.00 1f4h s ASP 869 N -0.87 2.03 -0.03 3.32 1.11 -0.52 -1.28 116.67 120.42 1f4h s ASP 869 Ca 0.11 -0.67 -0.01 0.00 0.18 0.00 0.00 52.55 52.16 1f4h s ASP 869 Cb -0.10 0.22 -0.04 0.00 1.07 0.00 0.00 42.92 44.08 1f4h s ASP 869 CO 0.00 -0.38 0.06 -0.69 1.18 0.00 0.00 175.17 175.35 1f4h s VAL 870 N 2.28 4.65 -0.13 -1.27 1.01 0.30 -1.05 120.40 126.19 1f4h s VAL 870 Ca 0.08 -0.35 0.02 0.00 0.00 0.00 0.00 61.98 61.74 1f4h s VAL 870 Cb -0.15 -3.08 0.01 0.00 0.00 0.00 0.00 36.38 33.16 1f4h s VAL 870 CO -0.25 0.43 -0.21 -1.61 0.00 0.00 0.00 175.10 173.46 1f4h s GLU 871 N -1.49 2.83 -0.15 2.72 2.02 0.20 -0.81 118.70 124.03 1f4h s GLU 871 Ca 0.20 -0.79 -0.02 0.00 0.02 0.00 0.00 54.97 54.38 1f4h s GLU 871 Cb -0.12 -2.29 -0.02 0.00 0.10 0.00 0.00 34.13 31.80 1f4h s GLU 871 CO 0.10 -0.01 -0.08 0.08 0.02 0.00 0.00 175.26 175.37 1f4h s VAL 872 N 0.82 3.50 0.15 2.63 1.01 0.13 -0.84 120.40 127.80 1f4h s VAL 872 Ca -0.08 -0.50 -0.31 0.00 0.00 0.00 0.00 61.98 61.10 1f4h s VAL 872 Cb -0.16 -2.51 -0.08 0.00 0.00 0.00 0.00 36.38 33.63 1f4h s VAL 872 CO -0.01 0.50 1.36 0.00 0.00 0.00 0.00 175.10 176.95 1f4h s ALA 873 N 0.45 3.57 0.20 5.51 0.00 0.03 -4.63 121.76 126.89 1f4h s ALA 873 Ca -0.06 1.12 -0.13 0.00 0.00 0.00 0.00 51.96 52.89 1f4h s ALA 873 Cb -0.15 -3.52 0.23 0.00 0.00 0.00 0.00 23.12 19.69 1f4h s ALA 873 CO 0.04 -0.59 1.67 1.03 0.00 0.00 0.00 175.76 177.90 1f4h h SER 874 N 6.27 -0.30 0.73 0.00 0.87 -1.96 -2.06 113.55 117.11 1f4h h SER 874 Ca -0.43 0.14 0.00 0.00 -1.23 0.00 0.00 61.79 60.27 1f4h h SER 874 Cb 1.21 0.26 0.00 0.00 -0.44 0.00 0.00 62.40 63.43 1f4h h SER 874 CO 0.83 -0.11 0.00 -2.24 -0.53 0.00 0.00 176.83 174.78 1f4h h ASP 875 N 0.09 0.00 -3.87 6.23 -0.00 -1.99 -3.45 116.42 113.44 1f4h h ASP 875 Ca 0.28 0.00 -0.47 0.00 -0.00 0.00 0.00 57.03 56.84 1f4h h ASP 875 Cb 0.44 0.00 -0.02 0.00 -0.00 0.00 0.00 39.33 39.75 1f4h h ASP 875 CO -0.49 0.00 0.29 0.28 -0.00 0.00 0.00 179.24 179.31 1f4h s THR 876 N -3.59 4.34 0.30 1.15 -1.32 -0.78 -4.97 115.64 110.78 1f4h s THR 876 Ca 0.01 1.60 -0.30 0.00 -1.21 0.00 0.00 61.69 61.79 1f4h s THR 876 Cb 0.09 -3.86 -0.12 0.00 -1.51 0.00 0.00 72.50 67.11 1f4h s THR 876 CO 0.45 0.02 1.58 -2.65 -2.21 0.00 0.00 174.62 171.81 1f4h n PRO 877 N 0.23 2.68 -1.73 7.08 -0.02 -1.26 -4.79 135.00 137.19 1f4h n PRO 877 Ca 0.03 0.95 -0.42 0.00 -2.02 0.00 0.00 63.50 62.04 1f4h n PRO 877 Cb 0.51 -2.73 -0.03 0.00 -0.02 0.00 0.00 33.50 31.24 1f4h n PRO 877 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 1f4h s HIS 878 N -0.08 2.91 1.03 6.00 3.76 -1.26 -4.92 115.29 122.72 1f4h s HIS 878 Ca 0.63 0.34 -0.13 0.00 -0.15 0.00 0.00 55.06 55.76 1f4h s HIS 878 Cb -0.50 -4.14 0.16 0.00 1.11 0.00 0.00 32.58 29.21 1f4h s HIS 878 CO 0.50 -4.32 0.77 -0.35 -0.85 0.00 0.00 174.74 170.49 1f4h n PRO 879 N 3.98 -1.15 -0.07 8.40 -0.04 -1.26 -4.89 135.00 139.97 1f4h n PRO 879 Ca 0.16 -0.29 -0.14 0.00 -0.04 0.00 0.00 63.50 63.18 1f4h n PRO 879 Cb 0.35 -2.10 -0.12 0.00 -0.04 0.00 0.00 33.50 31.59 1f4h n PRO 879 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1f4h h ALA 880 N -2.07 0.03 -2.55 0.55 0.00 -1.83 -3.39 119.26 110.00 1f4h h ALA 880 Ca -0.50 -0.56 -0.20 0.00 0.00 0.00 0.00 54.91 53.65 1f4h h ALA 880 Cb 1.30 0.08 -0.14 0.00 0.00 0.00 0.00 17.79 19.03 1f4h h ALA 880 CO 0.41 0.08 -0.58 -0.98 0.00 0.00 0.00 179.25 178.18 1f4h s ARG 881 N -2.22 1.12 -0.35 0.00 1.70 -0.77 0.34 118.95 118.77 1f4h s ARG 881 Ca -0.20 -1.51 0.01 0.00 -0.47 0.00 0.00 55.73 53.57 1f4h s ARG 881 Cb -0.02 0.28 0.14 0.00 -0.57 0.00 0.00 34.95 34.78 1f4h s ARG 881 CO 0.66 -0.36 0.29 0.42 -1.08 0.00 0.00 175.30 175.23 1f4h s ILE 882 N -4.10 -0.12 0.00 4.99 1.01 0.47 -4.18 121.20 119.27 1f4h s ILE 882 Ca 0.31 -1.26 0.00 0.00 0.00 0.00 0.00 60.65 59.71 1f4h s ILE 882 Cb 0.06 -0.90 0.00 0.00 0.01 0.00 0.00 42.46 41.64 1f4h s ILE 882 CO 0.07 -0.76 0.00 0.61 0.00 0.00 0.00 174.94 174.86 1f4h n GLY 883 N 4.27 1.78 3.71 6.18 0.00 -0.89 -0.36 105.19 119.89 1f4h n GLY 883 Ca 0.10 -0.96 -0.30 0.00 0.00 0.00 0.00 46.02 44.86 1f4h n GLY 883 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1f4h s LEU 884 N 0.00 2.65 0.12 0.99 1.43 0.14 0.88 118.68 124.87 1f4h s LEU 884 Ca 0.00 -1.45 -0.25 0.00 -1.03 0.00 0.00 54.13 51.40 1f4h s LEU 884 Cb 0.00 -0.90 0.07 0.00 0.03 0.00 0.00 46.19 45.39 1f4h s LEU 884 CO 0.00 -0.67 0.77 0.54 0.23 0.00 0.00 176.35 177.22 1f4h s ASN 885 N -3.83 -0.40 0.13 2.29 4.22 0.11 -0.12 114.94 117.33 1f4h s ASN 885 Ca 0.23 -0.14 -0.25 0.00 -2.14 0.00 0.00 52.86 50.56 1f4h s ASN 885 Cb 0.05 0.53 0.08 0.00 1.28 0.00 0.00 41.25 43.19 1f4h s ASN 885 CO 0.12 -0.89 1.06 0.00 -2.04 0.00 0.00 177.10 175.35 1f4h s GLN 887 N -2.70 2.57 0.93 0.00 0.74 -1.22 -1.79 119.66 118.18 1f4h s GLN 887 Ca 0.17 -1.19 -0.14 0.00 0.05 0.00 0.00 55.36 54.24 1f4h s GLN 887 Cb -0.01 -3.29 0.16 0.00 1.10 0.00 0.00 33.01 30.97 1f4h s GLN 887 CO 0.02 -0.61 1.22 -0.51 -0.55 0.00 0.00 175.29 174.85 1f4h s LEU 888 N 1.33 2.29 -0.18 3.68 1.43 0.15 0.37 118.68 127.75 1f4h s LEU 888 Ca -0.03 0.62 -0.10 0.00 -1.03 0.00 0.00 54.13 53.59 1f4h s LEU 888 Cb -0.19 -2.84 -0.21 0.00 0.03 0.00 0.00 46.19 42.97 1f4h s LEU 888 CO 0.00 -2.57 0.15 0.00 0.23 0.00 0.00 176.35 174.16 1f4h n ALA 889 N -3.72 0.99 -0.86 4.21 0.00 0.16 -2.42 120.51 118.85 1f4h n ALA 889 Ca 0.11 -0.71 -0.33 0.00 0.00 0.00 0.00 53.44 52.51 1f4h n ALA 889 Cb 0.60 -0.46 0.13 0.00 0.00 0.00 0.00 19.45 19.72 1f4h n ALA 889 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1f4h n GLN 890 N -3.77 -0.20 -3.68 0.00 3.00 -1.26 -4.63 117.38 106.84 1f4h n GLN 890 Ca -0.37 0.00 -0.19 0.00 -0.01 0.00 0.00 57.00 56.44 1f4h n GLN 890 Cb 0.93 -2.11 -0.17 0.00 0.00 0.00 0.00 30.24 28.89 1f4h n GLN 890 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.06 177.14 1f4h s VAL 891 N -2.37 -0.13 0.22 5.09 1.01 -1.26 -3.71 120.40 119.25 1f4h s VAL 891 Ca 0.64 0.38 0.01 0.00 0.00 0.00 0.00 61.98 63.01 1f4h s VAL 891 Cb -0.25 -0.17 0.01 0.00 0.00 0.00 0.00 36.38 35.97 1f4h s VAL 891 CO 0.61 0.16 0.07 0.00 0.00 0.00 0.00 175.10 175.94 1f4h n ALA 892 N 5.13 0.25 -0.02 5.51 0.00 -1.26 -5.06 120.51 125.06 1f4h n ALA 892 Ca -0.07 -0.94 0.01 0.00 0.00 0.00 0.00 53.44 52.44 1f4h n ALA 892 Cb 0.50 0.46 -0.07 0.00 0.00 0.00 0.00 19.45 20.34 1f4h n ALA 892 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1f4h n GLU 893 N -0.75 1.28 -4.29 0.00 2.13 -1.26 -4.78 120.64 112.98 1f4h n GLU 893 Ca -0.05 -0.05 -0.16 0.00 0.66 0.00 0.00 57.16 57.56 1f4h n GLU 893 Cb 0.26 -1.23 -0.10 0.00 0.27 0.00 0.00 31.44 30.64 1f4h n GLU 893 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 1f4h s ARG 894 N -2.47 1.20 -0.02 5.31 0.52 -1.26 -1.84 118.95 120.40 1f4h s ARG 894 Ca -0.04 -1.57 0.01 0.00 -0.52 0.00 0.00 55.73 53.61 1f4h s ARG 894 Cb 0.05 -0.61 0.01 0.00 0.52 0.00 0.00 34.95 34.92 1f4h s ARG 894 CO 0.38 -0.02 -0.03 0.08 0.02 0.00 0.00 175.30 175.74 1f4h s VAL 895 N -3.38 0.33 -0.03 3.52 1.01 0.49 -4.66 120.40 117.68 1f4h s VAL 895 Ca 0.23 -0.09 0.02 0.00 0.00 0.00 0.00 61.98 62.15 1f4h s VAL 895 Cb 0.04 -0.34 0.00 0.00 0.00 0.00 0.00 36.38 36.09 1f4h s VAL 895 CO 0.05 0.14 -0.09 0.21 0.00 0.00 0.00 175.10 175.41 1f4h s ASN 896 N 0.45 1.21 0.11 3.32 3.84 -1.12 -0.60 114.94 122.15 1f4h s ASN 896 Ca -0.05 -0.19 -0.19 0.00 0.21 0.00 0.00 52.86 52.65 1f4h s ASN 896 Cb -0.08 -0.34 0.05 0.00 -0.55 0.00 0.00 41.25 40.32 1f4h s ASN 896 CO -0.01 0.06 0.47 -1.66 -2.79 0.00 0.00 177.10 173.17 1f4h s TRP 897 N 0.24 -0.33 -0.63 0.43 -2.14 0.53 -0.80 118.94 116.24 1f4h s TRP 897 Ca -0.04 0.12 0.02 0.00 2.66 0.00 0.00 56.10 58.86 1f4h s TRP 897 Cb -0.09 0.34 0.16 0.00 -3.10 0.00 0.00 33.47 30.78 1f4h s TRP 897 CO 0.01 -0.71 0.42 -1.17 -2.66 0.00 0.00 176.95 172.83 1f4h s LEU 898 N -2.57 4.80 0.00 -4.66 2.96 0.86 0.17 118.68 120.24 1f4h s LEU 898 Ca 0.00 -3.24 0.00 0.00 -0.22 0.00 0.00 54.13 50.67 1f4h s LEU 898 Cb 0.01 -1.73 0.00 0.00 0.50 0.00 0.00 46.19 44.97 1f4h s LEU 898 CO -0.10 -0.23 0.00 0.61 -1.32 0.00 0.00 176.35 175.32 1f4h n GLY 899 N 2.87 2.96 3.64 7.98 0.00 -1.04 -1.68 105.19 119.91 1f4h n GLY 899 Ca 0.11 -0.50 -0.43 0.00 0.00 0.00 0.00 46.02 45.20 1f4h n GLY 899 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1f4h s LEU 900 N 0.00 4.00 0.00 0.99 1.43 -0.74 -2.34 118.68 122.02 1f4h s LEU 900 Ca 0.00 1.03 0.00 0.00 -1.03 0.00 0.00 54.13 54.13 1f4h s LEU 900 Cb 0.00 -3.44 0.00 0.00 0.03 0.00 0.00 46.19 42.78 1f4h s LEU 900 CO 0.00 -0.78 0.00 0.61 0.23 0.00 0.00 176.35 176.41 1f4h n GLY 901 N 3.83 2.52 0.02 -3.19 0.00 -0.76 -4.42 105.19 103.20 1f4h n GLY 901 Ca 0.10 -0.82 0.13 0.00 0.00 0.00 0.00 46.02 45.43 1f4h n GLY 901 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1f4h n PRO 902 N 0.00 0.07 -2.84 1.61 -0.04 -1.26 -1.03 135.00 131.51 1f4h n PRO 902 Ca 0.00 0.04 -0.24 0.00 -0.04 0.00 0.00 63.50 63.26 1f4h n PRO 902 Cb 0.00 -1.57 0.01 0.00 -0.04 0.00 0.00 33.50 31.91 1f4h n PRO 902 CO 0.00 0.00 0.00 1.14 -0.04 0.00 0.00 175.50 176.60 1f4h s GLN 903 N -3.03 3.07 0.25 0.54 1.03 -1.26 -5.04 119.66 115.22 1f4h s GLN 903 Ca 0.12 -0.33 -0.31 0.00 0.04 0.00 0.00 55.36 54.88 1f4h s GLN 903 Cb 0.17 -2.48 -0.14 0.00 0.03 0.00 0.00 33.01 30.59 1f4h s GLN 903 CO 0.59 -0.36 1.30 -1.91 -2.54 0.00 0.00 175.29 172.38 1f4h n GLU 904 N -2.20 1.83 -3.84 9.60 2.13 -1.26 -4.89 120.64 122.01 1f4h n GLU 904 Ca 0.02 0.65 -0.12 0.00 0.66 0.00 0.00 57.16 58.37 1f4h n GLU 904 Cb 0.57 -2.23 -0.11 0.00 0.27 0.00 0.00 31.44 29.94 1f4h n GLU 904 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 1f4h s ASN 905 N 0.04 -0.08 0.05 4.31 2.20 -0.71 -4.96 114.94 115.79 1f4h s ASN 905 Ca 0.66 0.07 0.01 0.00 -0.94 0.00 0.00 52.86 52.66 1f4h s ASN 905 Cb -0.67 0.29 -0.03 0.00 -2.00 0.00 0.00 41.25 38.84 1f4h s ASN 905 CO 0.53 -0.23 -0.06 -0.31 -2.94 0.00 0.00 177.10 174.09 1f4h s TYR 906 N -0.71 0.56 0.12 1.54 1.51 -0.94 -3.87 117.35 115.56 1f4h s TYR 906 Ca -0.08 -0.65 -0.11 0.00 -1.01 0.00 0.00 57.07 55.22 1f4h s TYR 906 Cb -0.05 -0.35 0.09 0.00 -0.11 0.00 0.00 41.96 41.54 1f4h s TYR 906 CO 0.01 -0.16 0.84 -2.30 -1.11 0.00 0.00 175.55 172.83 1f4h n PRO 907 N 1.10 -0.16 -1.19 -1.71 -0.02 -1.26 0.17 135.00 131.93 1f4h n PRO 907 Ca -0.20 0.83 -0.28 0.00 -2.02 0.00 0.00 63.50 61.83 1f4h n PRO 907 Cb 0.57 -1.24 0.09 0.00 -0.02 0.00 0.00 33.50 32.90 1f4h n PRO 907 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1f4h n ASP 908 N -4.77 6.62 -2.69 2.55 5.75 -1.26 -4.16 116.55 118.59 1f4h n ASP 908 Ca 0.04 -3.56 -0.05 0.00 -0.01 0.00 0.00 54.79 51.21 1f4h n ASP 908 Cb 0.20 -0.96 0.10 0.00 -1.03 0.00 0.00 41.12 39.43 1f4h n ASP 908 CO 0.00 0.00 0.00 -1.14 -0.11 0.00 0.00 177.20 175.95 1f4h n ARG 909 N -0.67 0.47 0.00 0.11 0.63 0.45 -1.25 116.66 116.39 1f4h n ARG 909 Ca 0.54 -1.15 0.00 0.00 -0.92 0.00 0.00 57.85 56.32 1f4h n ARG 909 Cb 0.82 -0.45 0.00 0.00 0.45 0.00 0.00 32.46 33.28 1f4h n ARG 909 CO 0.00 0.00 0.00 1.47 -2.51 0.00 0.00 177.63 176.59 1f4h n LEU 910 N 0.39 0.28 -0.31 6.15 -0.00 -1.06 -2.21 117.00 120.24 1f4h n LEU 910 Ca -0.02 -0.32 0.28 0.00 -0.00 0.00 0.00 56.01 55.94 1f4h n LEU 910 Cb 0.74 0.00 0.61 0.00 -0.00 0.00 0.00 43.42 44.77 1f4h n LEU 910 CO -0.05 0.07 1.26 0.71 -0.00 0.00 0.00 177.39 179.37 1f4h h THR 911 N 0.47 0.47 0.00 1.47 1.35 -1.91 0.06 112.91 114.82 1f4h h THR 911 Ca 0.00 -0.07 -0.06 0.00 -0.55 0.00 0.00 66.41 65.73 1f4h h THR 911 Cb 0.23 0.24 -0.01 0.00 -1.73 0.00 0.00 68.15 66.88 1f4h h THR 911 CO 0.00 0.04 -0.28 0.00 -0.25 0.00 0.00 175.52 175.03 1f4h h ALA 912 N 1.54 0.90 -2.41 6.62 0.00 -1.87 -3.46 119.26 120.58 1f4h h ALA 912 Ca 0.58 -0.26 -0.51 0.00 0.00 0.00 0.00 54.91 54.71 1f4h h ALA 912 Cb 1.81 -0.05 0.12 0.00 0.00 0.00 0.00 17.79 19.68 1f4h h ALA 912 CO -0.18 0.36 0.35 0.00 0.00 0.00 0.00 179.25 179.78 1f4h s ALA 913 N -3.36 2.34 0.01 0.00 0.00 0.01 -5.00 121.76 115.76 1f4h s ALA 913 Ca 0.03 0.46 0.06 0.00 0.00 0.00 0.00 51.96 52.51 1f4h s ALA 913 Cb 0.09 -3.31 -0.02 0.00 0.00 0.00 0.00 23.12 19.88 1f4h s ALA 913 CO 0.68 -1.53 -0.19 0.00 0.00 0.00 0.00 175.76 174.71 1f4h s PHE 915 N -0.60 2.91 -0.12 0.00 5.36 -1.26 -1.82 117.98 122.46 1f4h s PHE 915 Ca 0.07 0.97 -0.33 0.00 -0.96 0.00 0.00 56.93 56.68 1f4h s PHE 915 Cb -0.08 -3.96 0.15 0.00 -0.34 0.00 0.00 43.02 38.79 1f4h s PHE 915 CO 0.00 -1.19 1.44 0.34 -1.46 0.00 0.00 175.22 174.35 1f4h s ASP 916 N 2.25 -0.00 -0.19 6.13 -1.08 -0.99 -4.89 116.67 117.90 1f4h s ASP 916 Ca 0.50 -0.01 -0.26 0.00 -0.52 0.00 0.00 52.55 52.26 1f4h s ASP 916 Cb -0.12 0.01 -0.01 0.00 -1.46 0.00 0.00 42.92 41.34 1f4h s ASP 916 CO 0.22 -0.02 0.87 -0.60 0.52 0.00 0.00 175.17 176.16 1f4h s ARG 917 N -2.02 4.28 0.14 4.34 3.52 -1.26 -2.51 118.95 125.44 1f4h s ARG 917 Ca 0.15 1.06 0.09 0.00 -0.13 0.00 0.00 55.73 56.90 1f4h s ARG 917 Cb 0.07 -3.59 -0.04 0.00 -1.56 0.00 0.00 34.95 29.83 1f4h s ARG 917 CO -0.06 -0.40 -0.21 -1.58 -0.81 0.00 0.00 175.30 172.24 1f4h s TRP 918 N 2.40 1.93 -0.03 5.12 0.52 0.13 -4.94 118.94 124.06 1f4h s TRP 918 Ca 0.39 -0.42 -0.01 0.00 0.02 0.00 0.00 56.10 56.07 1f4h s TRP 918 Cb -0.16 -1.01 0.03 0.00 -1.15 0.00 0.00 33.47 31.18 1f4h s TRP 918 CO 0.11 0.31 0.05 0.34 0.02 0.00 0.00 176.95 177.77 1f4h s ASP 919 N -2.30 0.77 0.18 2.95 -1.08 -1.25 -0.35 116.67 115.60 1f4h s ASP 919 Ca 0.13 0.06 -0.02 0.00 -0.52 0.00 0.00 52.55 52.19 1f4h s ASP 919 Cb -0.08 -0.12 -0.04 0.00 -1.46 0.00 0.00 42.92 41.22 1f4h s ASP 919 CO 0.06 -0.21 0.14 -0.76 0.52 0.00 0.00 175.17 174.93 1f4h s LEU 920 N 1.77 1.26 -0.01 -1.34 1.43 0.23 -4.93 118.68 117.09 1f4h s LEU 920 Ca -0.00 -1.28 -0.22 0.00 -1.03 0.00 0.00 54.13 51.60 1f4h s LEU 920 Cb -0.12 0.49 -0.05 0.00 0.03 0.00 0.00 46.19 46.54 1f4h s LEU 920 CO -0.03 -0.83 0.65 -2.16 0.23 0.00 0.00 176.35 174.21 1f4h s PRO 921 N -4.11 4.38 0.29 1.29 0.04 -1.26 0.18 135.00 135.82 1f4h s PRO 921 Ca 0.33 0.83 0.12 0.00 0.04 0.00 0.00 61.00 62.31 1f4h s PRO 921 Cb 0.06 -3.37 0.94 0.00 0.04 0.00 0.00 34.50 32.18 1f4h s PRO 921 CO 0.08 0.28 1.30 -0.11 0.04 0.00 0.00 177.00 178.60 1f4h n LEU 922 N 2.97 0.15 0.10 -3.56 7.94 -0.76 0.77 117.00 124.61 1f4h n LEU 922 Ca -0.05 1.38 0.14 0.00 -1.11 0.00 0.00 56.01 56.38 1f4h n LEU 922 Cb 0.51 -0.61 0.65 0.00 0.53 0.00 0.00 43.42 44.50 1f4h n LEU 922 CO 0.45 -1.49 1.14 0.77 -1.11 0.00 0.00 177.39 177.14 1f4h h SER 923 N 0.00 0.04 0.41 1.96 4.64 -1.92 0.18 113.55 118.85 1f4h h SER 923 Ca 0.63 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.95 1f4h h SER 923 Cb 1.56 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.64 1f4h h SER 923 CO -0.69 0.02 0.00 0.47 -0.87 0.00 0.00 176.83 175.77 1f4h n ASP 924 N -4.45 0.00 -1.48 4.97 9.92 0.23 -3.10 116.55 122.64 1f4h n ASP 924 Ca 0.04 -0.26 0.08 0.00 -0.53 0.00 0.00 54.79 54.13 1f4h n ASP 924 Cb 0.37 -0.23 0.32 0.00 -0.64 0.00 0.00 41.12 40.94 1f4h n ASP 924 CO 0.00 0.00 0.00 0.23 0.13 0.00 0.00 177.20 177.56 1f4h n MET 925 N -1.23 3.54 -4.63 -1.24 2.81 0.62 -4.85 117.12 112.15 1f4h n MET 925 Ca 0.14 -2.54 -0.23 0.00 -1.81 0.00 0.00 57.70 53.26 1f4h n MET 925 Cb 0.19 -1.87 -0.16 0.00 -0.71 0.00 0.00 33.22 30.67 1f4h n MET 925 CO 0.00 0.00 0.00 -0.47 1.51 0.00 0.00 175.97 177.01 1f4h s TYR 926 N -1.91 1.34 -0.35 2.03 5.04 -1.18 -4.51 117.35 117.81 1f4h s TYR 926 Ca 0.45 -0.35 -0.08 0.00 -2.44 0.00 0.00 57.07 54.66 1f4h s TYR 926 Cb 0.30 -0.91 0.04 0.00 0.35 0.00 0.00 41.96 41.73 1f4h s TYR 926 CO 0.21 -0.12 0.13 0.99 -1.34 0.00 0.00 175.55 175.42 1f4h s THR 927 N 0.05 3.98 0.00 4.34 2.01 -1.26 -4.99 115.64 119.77 1f4h s THR 927 Ca -0.02 -1.05 0.00 0.00 0.31 0.00 0.00 61.69 60.93 1f4h s THR 927 Cb -0.09 -3.24 0.00 0.00 0.01 0.00 0.00 72.50 69.18 1f4h s THR 927 CO 0.01 -0.18 0.50 -0.81 -0.69 0.00 0.00 174.62 173.45 1f4h n PRO 928 N 4.86 0.36 -1.66 4.92 -0.04 -1.26 -4.83 135.00 137.34 1f4h n PRO 928 Ca -0.12 0.00 -0.58 0.00 -0.04 0.00 0.00 63.50 62.76 1f4h n PRO 928 Cb 0.45 -1.32 -0.07 0.00 -0.04 0.00 0.00 33.50 32.52 1f4h n PRO 928 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1f4h n TYR 929 N 1.23 1.74 -0.34 0.54 0.53 -1.26 -4.76 117.16 114.83 1f4h n TYR 929 Ca 0.00 0.70 0.19 0.00 -1.02 0.00 0.00 57.90 57.77 1f4h n TYR 929 Cb 0.18 -2.36 0.41 0.00 -1.03 0.00 0.00 39.34 36.54 1f4h n TYR 929 CO 0.00 0.00 0.00 0.28 -1.02 0.00 0.00 176.86 176.12 1f4h h VAL 930 N 4.47 0.51 -3.36 -0.72 2.07 -1.97 -3.19 116.25 114.06 1f4h h VAL 930 Ca -0.47 -0.18 -0.73 0.00 0.82 0.00 0.00 66.70 66.14 1f4h h VAL 930 Cb 1.34 -0.07 -0.30 0.00 -1.52 0.00 0.00 31.29 30.74 1f4h h VAL 930 CO 0.88 0.10 -0.36 0.12 0.02 0.00 0.00 177.57 178.33 1f4h s PHE 931 N -5.72 3.46 0.19 1.57 5.36 -1.26 -0.72 117.98 120.85 1f4h s PHE 931 Ca -0.10 -1.99 -0.33 0.00 -0.96 0.00 0.00 56.93 53.55 1f4h s PHE 931 Cb 0.27 -3.48 -0.14 0.00 -0.34 0.00 0.00 43.02 39.33 1f4h s PHE 931 CO 0.80 -0.98 1.44 -0.35 -1.46 0.00 0.00 175.22 174.67 1f4h n PRO 932 N 4.69 1.92 -3.94 10.12 -0.04 -1.21 -4.93 135.00 141.61 1f4h n PRO 932 Ca -0.05 0.69 -0.09 0.00 -0.04 0.00 0.00 63.50 64.01 1f4h n PRO 932 Cb 0.41 -2.37 -0.05 0.00 -0.04 0.00 0.00 33.50 31.45 1f4h n PRO 932 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1f4h s SER 933 N 0.51 -0.12 0.14 3.54 1.04 -1.26 -4.63 113.70 112.91 1f4h s SER 933 Ca 0.74 -0.82 -0.33 0.00 0.48 0.00 0.00 55.95 56.02 1f4h s SER 933 Cb -0.71 0.58 -0.17 0.00 0.10 0.00 0.00 66.02 65.83 1f4h s SER 933 CO 0.45 -1.12 0.96 1.21 0.98 0.00 0.00 173.24 175.72 1f4h n GLU 934 N -0.37 0.53 -3.81 4.02 4.07 0.45 -4.86 120.64 120.67 1f4h n GLU 934 Ca -0.04 0.19 -0.05 0.00 -0.06 0.00 0.00 57.16 57.20 1f4h n GLU 934 Cb 0.62 -1.55 -0.01 0.00 -0.06 0.00 0.00 31.44 30.44 1f4h n GLU 934 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 1f4h s ASN 935 N -0.30 -0.15 0.00 4.31 2.20 -1.26 -4.89 114.94 114.85 1f4h s ASN 935 Ca 0.75 -0.59 0.00 0.00 -0.94 0.00 0.00 52.86 52.08 1f4h s ASN 935 Cb -0.98 0.60 0.00 0.00 -2.00 0.00 0.00 41.25 38.87 1f4h s ASN 935 CO 0.55 -1.14 0.00 0.61 -2.94 0.00 0.00 177.10 174.18 1f4h n GLY 936 N -0.51 0.51 3.35 0.45 0.00 -1.26 -4.78 105.19 102.95 1f4h n GLY 936 Ca -0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.63 1f4h n GLY 936 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1f4h n LEU 937 N 0.00 -1.16 -3.56 0.99 7.94 -1.26 -4.66 117.00 115.29 1f4h n LEU 937 Ca 0.00 0.31 -0.28 0.00 -1.11 0.00 0.00 56.01 54.93 1f4h n LEU 937 Cb 0.08 -1.13 -0.15 0.00 0.53 0.00 0.00 43.42 42.74 1f4h n LEU 937 CO 0.00 -4.02 -0.33 0.00 -1.11 0.00 0.00 177.39 171.92 1f4h s ARG 938 N -3.34 0.17 0.89 1.96 1.70 0.17 -1.74 118.95 118.77 1f4h s ARG 938 Ca 0.54 -0.45 -0.14 0.00 -0.47 0.00 0.00 55.73 55.21 1f4h s ARG 938 Cb -0.21 -1.31 0.15 0.00 -0.57 0.00 0.00 34.95 33.00 1f4h s ARG 938 CO 0.70 -0.95 1.26 0.00 -1.08 0.00 0.00 175.30 175.23 1f4h n GLY 940 N -3.57 0.67 3.77 0.00 0.00 -1.22 -1.79 105.19 103.06 1f4h n GLY 940 Ca 0.12 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.77 1f4h n GLY 940 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1f4h s THR 941 N -2.55 3.38 0.00 2.61 2.01 0.59 -4.14 115.64 117.54 1f4h s THR 941 Ca 0.00 1.08 0.00 0.00 0.31 0.00 0.00 61.69 63.08 1f4h s THR 941 Cb 0.00 -3.57 0.00 0.00 0.01 0.00 0.00 72.50 68.94 1f4h s THR 941 CO 0.00 0.03 0.00 0.54 -0.69 0.00 0.00 174.62 174.50 1f4h n ARG 942 N -0.13 4.88 -3.63 4.92 1.74 -0.68 -1.91 116.66 121.85 1f4h n ARG 942 Ca 0.05 0.00 -0.04 0.00 -0.77 0.00 0.00 57.85 57.09 1f4h n ARG 942 Cb 0.48 -0.53 -0.06 0.00 -1.02 0.00 0.00 32.46 31.34 1f4h n ARG 942 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 1f4h s GLU 943 N -1.02 0.60 -0.02 5.56 2.12 -1.24 -2.19 118.70 122.51 1f4h s GLU 943 Ca 0.00 1.16 0.03 0.00 0.36 0.00 0.00 54.97 56.52 1f4h s GLU 943 Cb 0.00 0.33 -0.00 0.00 0.26 0.00 0.00 34.13 34.72 1f4h s GLU 943 CO 0.00 -0.15 -0.10 -1.17 -0.54 0.00 0.00 175.26 173.30 1f4h s LEU 944 N 1.95 1.88 -0.07 2.70 2.96 0.34 -0.10 118.68 128.35 1f4h s LEU 944 Ca -0.08 -0.20 0.02 0.00 -0.22 0.00 0.00 54.13 53.64 1f4h s LEU 944 Cb -0.07 -0.58 0.02 0.00 0.50 0.00 0.00 46.19 46.06 1f4h s LEU 944 CO -0.19 0.10 -0.11 0.20 -1.32 0.00 0.00 176.35 175.03 1f4h s ASN 945 N 0.02 1.69 -0.08 3.68 0.01 0.02 0.32 114.94 120.60 1f4h s ASN 945 Ca -0.01 -0.27 -0.03 0.00 -0.71 0.00 0.00 52.86 51.84 1f4h s ASN 945 Cb -0.07 -0.77 0.04 0.00 0.41 0.00 0.00 41.25 40.86 1f4h s ASN 945 CO 0.00 0.01 0.09 -0.47 -1.51 0.00 0.00 177.10 175.22 1f4h s TYR 946 N 0.79 0.02 0.00 2.20 5.04 -1.06 -2.81 117.35 121.53 1f4h s TYR 946 Ca -0.12 0.23 0.00 0.00 -2.44 0.00 0.00 57.07 54.74 1f4h s TYR 946 Cb -0.15 -0.47 0.00 0.00 0.35 0.00 0.00 41.96 41.69 1f4h s TYR 946 CO 0.02 -0.27 0.00 0.41 -1.34 0.00 0.00 175.55 174.37 1f4h n GLY 947 N 5.30 0.96 0.07 8.97 0.00 -1.26 -0.44 105.19 118.79 1f4h n GLY 947 Ca -0.04 0.49 -0.02 0.00 0.00 0.00 0.00 46.02 46.45 1f4h n GLY 947 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1f4h n PRO 948 N 0.00 0.67 -1.40 1.61 -0.04 -1.26 -4.99 135.00 129.60 1f4h n PRO 948 Ca 0.00 -0.06 -0.31 0.00 -0.04 0.00 0.00 63.50 63.09 1f4h n PRO 948 Cb 0.00 -1.54 0.09 0.00 -0.04 0.00 0.00 33.50 32.01 1f4h n PRO 948 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1f4h s HIS 949 N -2.89 2.74 -0.22 0.54 3.76 0.42 -2.49 115.29 117.14 1f4h s HIS 949 Ca -0.09 1.38 -0.04 0.00 -0.15 0.00 0.00 55.06 56.17 1f4h s HIS 949 Cb 0.09 -3.03 0.11 0.00 1.11 0.00 0.00 32.58 30.86 1f4h s HIS 949 CO 0.86 -1.73 0.35 -1.14 -0.85 0.00 0.00 174.74 172.23 1f4h s GLN 950 N -5.00 0.30 -0.09 1.40 0.74 0.20 -2.56 119.66 114.65 1f4h s GLN 950 Ca 0.61 0.59 -0.04 0.00 0.05 0.00 0.00 55.36 56.57 1f4h s GLN 950 Cb -0.16 -0.41 -0.04 0.00 1.10 0.00 0.00 33.01 33.50 1f4h s GLN 950 CO 0.56 -0.55 0.07 -1.58 -0.55 0.00 0.00 175.29 173.23 1f4h s TRP 951 N 2.51 3.35 0.00 1.67 0.51 0.15 -1.28 118.94 125.85 1f4h s TRP 951 Ca 0.08 0.33 0.03 0.00 -2.12 0.00 0.00 56.10 54.42 1f4h s TRP 951 Cb -0.15 -1.84 -0.01 0.00 -0.81 0.00 0.00 33.47 30.66 1f4h s TRP 951 CO -0.14 0.59 -0.09 1.03 -0.51 0.00 0.00 176.95 177.82 1f4h s ARG 952 N -1.05 0.71 0.00 4.98 0.52 -0.64 -0.51 118.95 122.96 1f4h s ARG 952 Ca 0.15 -0.38 0.00 0.00 -0.52 0.00 0.00 55.73 54.98 1f4h s ARG 952 Cb -0.12 -0.68 0.00 0.00 0.52 0.00 0.00 34.95 34.67 1f4h s ARG 952 CO 0.04 0.18 0.00 0.41 0.02 0.00 0.00 175.30 175.96 1f4h n GLY 953 N 2.69 -0.08 2.52 -3.53 0.00 -0.93 -0.82 105.19 105.05 1f4h n GLY 953 Ca -0.14 -0.49 -0.19 0.00 0.00 0.00 0.00 46.02 45.20 1f4h n GLY 953 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1f4h s ASP 954 N -4.00 0.50 0.38 1.61 -1.08 -1.25 -4.11 116.67 108.72 1f4h s ASP 954 Ca 0.00 -2.61 0.04 0.00 -0.52 0.00 0.00 52.55 49.47 1f4h s ASP 954 Cb 0.00 0.33 -0.02 0.00 -1.46 0.00 0.00 42.92 41.78 1f4h s ASP 954 CO 0.00 -0.14 0.15 2.22 0.52 0.00 0.00 175.17 177.93 1f4h n PHE 955 N 2.92 0.02 -4.68 -5.34 1.16 -0.80 -4.86 117.46 105.87 1f4h n PHE 955 Ca 0.26 -2.49 -0.30 0.00 -1.87 0.00 0.00 57.45 53.04 1f4h n PHE 955 Cb 0.50 0.03 -0.13 0.00 -1.61 0.00 0.00 39.48 38.27 1f4h n PHE 955 CO 0.00 0.00 0.00 -0.65 -1.87 0.00 0.00 176.76 174.24 1f4h s GLN 956 N -3.44 1.88 0.28 3.97 -1.52 0.07 -0.30 119.66 120.60 1f4h s GLN 956 Ca 0.22 -1.08 -0.18 0.00 -1.95 0.00 0.00 55.36 52.36 1f4h s GLN 956 Cb 0.01 -2.08 0.02 0.00 -0.22 0.00 0.00 33.01 30.74 1f4h s GLN 956 CO 0.15 0.52 0.66 -0.59 -0.25 0.00 0.00 175.29 175.78 1f4h s PHE 957 N -0.92 -0.02 -0.12 0.91 -0.12 -0.88 0.12 117.98 116.96 1f4h s PHE 957 Ca 0.14 -0.42 -0.28 0.00 -0.05 0.00 0.00 56.93 56.32 1f4h s PHE 957 Cb -0.10 0.58 0.07 0.00 -0.63 0.00 0.00 43.02 42.93 1f4h s PHE 957 CO 0.05 -1.20 0.66 0.54 -0.05 0.00 0.00 175.22 175.22 1f4h s ASN 958 N -2.96 -0.65 -0.24 1.98 2.20 -1.08 0.45 114.94 114.64 1f4h s ASN 958 Ca 0.14 0.91 -0.03 0.00 -0.94 0.00 0.00 52.86 52.94 1f4h s ASN 958 Cb -0.05 0.82 0.13 0.00 -2.00 0.00 0.00 41.25 40.15 1f4h s ASN 958 CO 0.08 -0.48 0.38 -0.51 -2.94 0.00 0.00 177.10 173.63 1f4h s ILE 959 N -0.68 -0.60 0.00 0.54 2.07 -1.26 -1.71 121.20 119.56 1f4h s ILE 959 Ca -0.07 -0.07 0.00 0.00 -1.41 0.00 0.00 60.65 59.10 1f4h s ILE 959 Cb -0.02 -0.81 0.00 0.00 0.13 0.00 0.00 42.46 41.76 1f4h s ILE 959 CO 0.07 -0.12 0.00 -1.54 -1.91 0.00 0.00 174.94 171.44 1f4h n SER 960 N 5.37 1.19 -0.92 4.50 3.41 -0.97 -4.78 113.62 121.41 1f4h n SER 960 Ca -0.04 -0.72 0.08 0.00 -0.26 0.00 0.00 58.87 57.94 1f4h n SER 960 Cb 0.50 0.00 0.25 0.00 -0.26 0.00 0.00 64.21 64.70 1f4h n SER 960 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1f4h n ARG 961 N 0.00 3.05 -4.67 4.33 5.12 -1.26 -1.31 116.66 121.92 1f4h n ARG 961 Ca 0.00 -2.72 -0.25 0.00 -1.93 0.00 0.00 57.85 52.95 1f4h n ARG 961 Cb 0.00 -1.76 -0.17 0.00 -1.16 0.00 0.00 32.46 29.37 1f4h n ARG 961 CO 0.00 0.00 0.00 0.71 -1.93 0.00 0.00 177.63 176.41 1f4h s TYR 962 N -2.45 1.60 1.01 -1.55 1.51 -1.26 -0.01 117.35 116.19 1f4h s TYR 962 Ca 0.40 -0.59 -0.12 0.00 -1.01 0.00 0.00 57.07 55.74 1f4h s TYR 962 Cb 0.30 -1.15 0.20 0.00 -0.11 0.00 0.00 41.96 41.21 1f4h s TYR 962 CO 0.11 -0.29 1.08 -1.54 -1.11 0.00 0.00 175.55 173.81 1f4h s SER 963 N 0.58 2.46 0.16 2.29 1.04 -1.26 -4.84 113.70 114.14 1f4h s SER 963 Ca -0.14 1.27 -0.08 0.00 0.48 0.00 0.00 55.95 57.47 1f4h s SER 963 Cb -0.16 -1.95 0.00 0.00 0.10 0.00 0.00 66.02 64.02 1f4h s SER 963 CO 0.04 -3.24 1.46 1.56 0.98 0.00 0.00 173.24 174.04 1f4h h GLN 964 N -1.97 0.77 -0.49 4.02 1.08 -2.00 -2.58 115.11 113.94 1f4h h GLN 964 Ca -0.55 -0.47 0.08 0.00 -1.45 0.00 0.00 58.65 56.26 1f4h h GLN 964 Cb 1.33 0.05 -0.06 0.00 -0.05 0.00 0.00 27.48 28.74 1f4h h GLN 964 CO 0.56 1.09 0.12 1.96 -0.95 0.00 0.00 178.83 181.62 1f4h h GLN 965 N 0.60 0.26 0.42 1.46 4.20 -1.99 -0.10 115.11 119.96 1f4h h GLN 965 Ca 0.02 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.71 1f4h h GLN 965 Cb 1.09 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 28.79 1f4h h GLN 965 CO 0.11 0.17 -0.52 0.37 -0.67 0.00 0.00 178.83 178.30 1f4h h GLN 966 N 0.27 -0.93 -0.85 1.46 4.15 -1.86 -1.55 115.11 115.80 1f4h h GLN 966 Ca 0.24 0.06 0.20 0.00 0.77 0.00 0.00 58.65 59.92 1f4h h GLN 966 Cb 0.30 0.21 -0.16 0.00 0.21 0.00 0.00 27.48 28.04 1f4h h GLN 966 CO -0.29 -0.62 -0.10 1.28 -1.93 0.00 0.00 178.83 177.17 1f4h n LEU 967 N -5.55 -0.20 0.08 -2.39 4.77 -0.81 -1.34 117.00 111.56 1f4h n LEU 967 Ca -0.11 1.45 -0.13 0.00 -0.03 0.00 0.00 56.01 57.19 1f4h n LEU 967 Cb 0.46 -0.48 -0.07 0.00 -2.33 0.00 0.00 43.42 40.99 1f4h n LEU 967 CO 0.24 -1.43 0.84 0.24 -1.33 0.00 0.00 177.39 175.95 1f4h h MET 968 N 0.00 -0.12 -0.01 3.23 2.86 -0.12 -3.11 114.93 117.66 1f4h h MET 968 Ca 0.46 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 58.11 1f4h h MET 968 Cb 0.83 0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.52 1f4h h MET 968 CO -0.83 -0.08 -0.06 0.39 1.06 0.00 0.00 176.91 177.39 1f4h n GLU 969 N -5.15 1.32 -3.72 1.72 1.02 -0.45 -4.84 120.64 110.54 1f4h n GLU 969 Ca -0.08 -0.66 -0.37 0.00 -0.02 0.00 0.00 57.16 56.03 1f4h n GLU 969 Cb 0.08 -1.49 -0.12 0.00 -0.02 0.00 0.00 31.44 29.89 1f4h n GLU 969 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1f4h s THR 970 N -2.14 4.47 0.09 2.62 2.01 -0.55 -4.98 115.64 117.16 1f4h s THR 970 Ca 0.36 -0.14 -0.15 0.00 0.31 0.00 0.00 61.69 62.07 1f4h s THR 970 Cb 0.21 -3.11 -0.11 0.00 0.01 0.00 0.00 72.50 69.50 1f4h s THR 970 CO 0.39 0.31 1.37 0.77 -0.69 0.00 0.00 174.62 176.77 1f4h h SER 971 N 8.26 0.76 -4.35 3.53 4.64 -1.88 -3.38 113.55 121.12 1f4h h SER 971 Ca -0.37 -0.53 -0.45 0.00 -0.47 0.00 0.00 61.79 59.97 1f4h h SER 971 Cb 1.18 -0.22 -0.24 0.00 -0.31 0.00 0.00 62.40 62.81 1f4h h SER 971 CO 0.58 1.14 -0.79 -1.00 -0.87 0.00 0.00 176.83 175.88 1f4h s HIS 972 N -4.15 1.28 0.43 4.77 3.76 -1.26 -4.46 115.29 115.65 1f4h s HIS 972 Ca -0.12 -0.38 0.13 0.00 -0.15 0.00 0.00 55.06 54.53 1f4h s HIS 972 Cb 0.08 -0.75 1.00 0.00 1.11 0.00 0.00 32.58 34.03 1f4h s HIS 972 CO 0.84 0.05 1.98 0.07 -0.85 0.00 0.00 174.74 176.83 1f4h h ARG 973 N 4.73 0.43 0.00 1.40 0.11 -1.15 0.41 114.38 120.30 1f4h h ARG 973 Ca -0.39 -0.03 -0.01 0.00 0.10 0.00 0.00 59.98 59.66 1f4h h ARG 973 Cb 1.18 -0.10 -0.00 0.00 1.11 0.00 0.00 29.97 32.16 1f4h h ARG 973 CO 0.43 0.28 -0.03 1.12 0.10 0.00 0.00 179.97 181.87 1f4h h HIS 974 N 0.44 0.00 -0.00 4.08 2.07 -1.94 -2.07 115.15 117.73 1f4h h HIS 974 Ca 0.27 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.79 1f4h h HIS 974 Cb 0.49 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.47 1f4h h HIS 974 CO -0.00 0.03 -0.33 1.28 -3.07 0.00 0.00 177.93 175.83 1f4h n LEU 975 N -3.23 0.56 -4.72 6.12 4.77 0.13 -4.86 117.00 115.77 1f4h n LEU 975 Ca -0.02 -0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.54 1f4h n LEU 975 Cb 0.18 -0.24 -0.03 0.00 -2.33 0.00 0.00 43.42 41.00 1f4h n LEU 975 CO 0.25 0.12 0.98 -0.76 -1.33 0.00 0.00 177.39 176.65 1f4h s LEU 976 N -2.81 4.39 0.08 2.23 1.43 -0.78 -5.03 118.68 118.18 1f4h s LEU 976 Ca 0.17 2.26 0.06 0.00 -1.03 0.00 0.00 54.13 55.58 1f4h s LEU 976 Cb 0.18 -3.59 -0.04 0.00 0.03 0.00 0.00 46.19 42.77 1f4h s LEU 976 CO 0.61 -0.55 -0.07 -1.00 0.23 0.00 0.00 176.35 175.57 1f4h s HIS 977 N 0.76 2.84 0.41 0.29 3.76 -1.26 -5.08 115.29 117.01 1f4h s HIS 977 Ca 0.60 -0.09 -0.24 0.00 -0.15 0.00 0.00 55.06 55.18 1f4h s HIS 977 Cb -0.35 -1.50 -0.09 0.00 1.11 0.00 0.00 32.58 31.76 1f4h s HIS 977 CO 0.32 0.43 1.08 0.00 -0.85 0.00 0.00 174.74 175.72 1f4h s ALA 978 N -1.19 3.07 0.32 -1.40 0.00 -1.26 -4.75 121.76 116.55 1f4h s ALA 978 Ca 0.21 0.77 0.03 0.00 0.00 0.00 0.00 51.96 52.98 1f4h s ALA 978 Cb -0.11 -3.31 -0.03 0.00 0.00 0.00 0.00 23.12 19.68 1f4h s ALA 978 CO 0.13 -0.34 0.48 -1.21 0.00 0.00 0.00 175.76 174.83 1f4h s GLU 979 N -2.52 3.38 0.24 0.00 2.02 0.98 -5.01 118.70 117.79 1f4h s GLU 979 Ca 0.59 -0.59 0.03 0.00 0.02 0.00 0.00 54.97 55.02 1f4h s GLU 979 Cb -0.24 -2.75 0.62 0.00 0.10 0.00 0.00 34.13 31.86 1f4h s GLU 979 CO 0.30 0.20 1.21 -1.91 0.02 0.00 0.00 175.26 175.07 1f4h n GLU 980 N -1.66 -0.06 0.00 1.61 2.13 -1.26 -4.66 120.64 116.73 1f4h n GLU 980 Ca -0.05 1.15 0.00 0.00 0.66 0.00 0.00 57.16 58.91 1f4h n GLU 980 Cb 0.57 -1.84 0.00 0.00 0.27 0.00 0.00 31.44 30.44 1f4h n GLU 980 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1f4h n GLY 981 N -1.37 1.73 2.90 8.31 0.00 -1.26 -4.99 105.19 110.50 1f4h n GLY 981 Ca 0.19 -0.03 -0.14 0.00 0.00 0.00 0.00 46.02 46.03 1f4h n GLY 981 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1f4h s THR 982 N 2.47 -0.42 -0.07 2.61 2.01 -1.02 -4.79 115.64 116.43 1f4h s THR 982 Ca 0.00 0.07 -0.25 0.00 0.31 0.00 0.00 61.69 61.82 1f4h s THR 982 Cb 0.00 -0.60 -0.03 0.00 0.01 0.00 0.00 72.50 71.88 1f4h s THR 982 CO 0.00 -0.05 0.76 0.26 -0.69 0.00 0.00 174.62 174.90 1f4h s TRP 983 N 2.41 3.56 0.02 4.92 0.52 -0.43 0.33 118.94 130.27 1f4h s TRP 983 Ca 0.05 1.31 0.08 0.00 0.02 0.00 0.00 56.10 57.57 1f4h s TRP 983 Cb -0.14 -2.88 -0.02 0.00 -1.15 0.00 0.00 33.47 29.27 1f4h s TRP 983 CO -0.11 0.02 -0.25 -1.17 0.02 0.00 0.00 176.95 175.45 1f4h s LEU 984 N 1.05 2.11 -0.10 2.99 2.96 -0.74 -2.30 118.68 124.65 1f4h s LEU 984 Ca 0.40 -0.53 -0.01 0.00 -0.22 0.00 0.00 54.13 53.77 1f4h s LEU 984 Cb -0.18 -1.27 0.03 0.00 0.50 0.00 0.00 46.19 45.27 1f4h s LEU 984 CO 0.19 0.28 -0.02 0.20 -1.32 0.00 0.00 176.35 175.67 1f4h s ASN 985 N -0.94 2.00 -0.19 3.68 0.01 -0.69 -2.74 114.94 116.07 1f4h s ASN 985 Ca 0.11 -0.27 0.01 0.00 -0.71 0.00 0.00 52.86 52.00 1f4h s ASN 985 Cb -0.10 -0.62 0.03 0.00 0.41 0.00 0.00 41.25 40.97 1f4h s ASN 985 CO 0.01 -0.18 -0.15 -0.63 -1.51 0.00 0.00 177.10 174.64 1f4h s ILE 986 N 1.85 1.86 -0.20 0.60 1.01 0.83 -2.64 121.20 124.51 1f4h s ILE 986 Ca 0.04 -0.98 -0.04 0.00 0.00 0.00 0.00 60.65 59.67 1f4h s ILE 986 Cb -0.13 -1.80 -0.02 0.00 0.01 0.00 0.00 42.46 40.53 1f4h s ILE 986 CO -0.07 0.35 -0.03 -1.81 0.00 0.00 0.00 174.94 173.38 1f4h s ASP 987 N 1.33 4.50 0.36 3.58 1.01 0.32 0.23 116.67 128.02 1f4h s ASP 987 Ca 0.02 -0.30 0.18 0.00 0.71 0.00 0.00 52.55 53.16 1f4h s ASP 987 Cb -0.15 -1.76 0.63 0.00 1.01 0.00 0.00 42.92 42.65 1f4h s ASP 987 CO -0.10 0.04 1.71 1.23 0.21 0.00 0.00 175.17 178.26 1f4h h GLY 988 N 7.67 0.00 -4.63 0.21 0.00 -0.95 0.23 103.07 105.60 1f4h h GLY 988 Ca -0.37 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 46.85 1f4h h GLY 988 CO 0.60 0.00 -0.19 -1.36 0.00 0.00 0.00 176.54 175.60 1f4h s PHE 989 N -3.59 -0.34 0.00 5.60 0.40 -0.26 -4.77 117.98 115.03 1f4h s PHE 989 Ca 0.00 0.65 -0.00 0.00 -0.60 0.00 0.00 56.93 56.98 1f4h s PHE 989 Cb 0.11 0.16 -0.00 0.00 0.51 0.00 0.00 43.02 43.80 1f4h s PHE 989 CO 0.69 -0.38 -0.00 -1.58 0.70 0.00 0.00 175.22 174.65 1f4h s HIS 990 N -0.87 0.06 0.14 0.36 2.46 -1.26 -0.39 115.29 115.78 1f4h s HIS 990 Ca -0.09 -0.11 -0.13 0.00 0.47 0.00 0.00 55.06 55.20 1f4h s HIS 990 Cb -0.04 -0.04 -0.07 0.00 -0.13 0.00 0.00 32.58 32.30 1f4h s HIS 990 CO 0.04 -0.05 0.52 1.41 -2.47 0.00 0.00 174.74 174.19 1f4h s MET 991 N -0.35 3.92 1.00 2.88 -2.45 0.15 -4.84 119.30 119.62 1f4h s MET 991 Ca -0.04 0.41 -0.16 0.00 -1.25 0.00 0.00 55.69 54.65 1f4h s MET 991 Cb -0.02 -2.93 0.01 0.00 1.25 0.00 0.00 34.83 33.14 1f4h s MET 991 CO -0.00 0.49 -0.02 0.41 1.05 0.00 0.00 175.02 176.94 1f4h n GLY 992 N 0.76 -2.62 0.08 2.11 0.00 -0.59 -4.87 105.19 100.07 1f4h n GLY 992 Ca -0.05 -0.73 0.08 0.00 0.00 0.00 0.00 46.02 45.32 1f4h n GLY 992 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1f4h n ILE 993 N -3.63 0.62 -3.80 -0.61 -5.35 -1.26 -4.92 119.36 100.40 1f4h n ILE 993 Ca 0.03 -0.58 0.00 0.00 -0.27 0.00 0.00 62.75 61.93 1f4h n ILE 993 Cb 0.58 -0.34 0.00 0.00 -1.74 0.00 0.00 39.64 38.14 1f4h n ILE 993 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1f4h n GLY 994 N 1.27 -1.67 0.00 3.28 0.00 -1.26 -4.81 105.19 102.00 1f4h n GLY 994 Ca -0.05 -1.38 0.00 0.00 0.00 0.00 0.00 46.02 44.60 1f4h n GLY 994 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1f4h n GLY 995 N 0.00 0.71 0.37 -0.02 0.00 -1.26 -1.32 105.19 103.68 1f4h n GLY 995 Ca 0.00 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.18 1f4h n GLY 995 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1f4h h ASP 996 N 0.00 0.24 -4.27 1.61 5.19 -1.83 -0.72 116.42 116.64 1f4h h ASP 996 Ca 0.00 0.01 0.10 0.00 -0.62 0.00 0.00 57.03 56.52 1f4h h ASP 996 Cb 0.00 -0.04 -0.21 0.00 0.18 0.00 0.00 39.33 39.27 1f4h h ASP 996 CO 0.00 0.13 0.54 1.51 -3.12 0.00 0.00 179.24 178.31 1f4h s ASP 997 N -6.11 -0.36 -0.02 6.45 -4.77 -1.26 -3.92 116.67 106.68 1f4h s ASP 997 Ca -0.07 0.28 0.17 0.00 -3.30 0.00 0.00 52.55 49.63 1f4h s ASP 997 Cb 0.20 0.32 0.51 0.00 -1.09 0.00 0.00 42.92 42.86 1f4h s ASP 997 CO 0.75 -0.41 1.42 -1.20 0.70 0.00 0.00 175.17 176.43 1f4h n SER 998 N 0.43 3.16 -0.71 2.11 7.64 -1.26 -4.33 113.62 120.67 1f4h n SER 998 Ca -0.09 -2.06 0.06 0.00 1.01 0.00 0.00 58.87 57.78 1f4h n SER 998 Cb 0.59 -0.40 0.15 0.00 -1.01 0.00 0.00 64.21 63.54 1f4h n SER 998 CO 0.00 0.00 0.00 -2.67 -3.01 0.00 0.00 175.04 169.36 1f4h n TRP 999 N 1.10 0.00 -3.54 1.43 2.14 -1.26 -3.87 117.44 113.44 1f4h n TRP 999 Ca 0.19 -1.18 -0.07 0.00 2.07 0.00 0.00 57.50 58.51 1f4h n TRP 999 Cb 0.52 -0.21 -0.02 0.00 -0.81 0.00 0.00 31.31 30.79 1f4h n TRP 999 CO 0.00 0.00 0.00 -1.54 2.07 0.00 0.00 177.69 178.22 1f4h s SER 1000N -2.86 -0.28 0.06 -0.67 1.04 -1.26 -4.71 113.70 105.01 1f4h s SER 1000Ca 0.35 0.02 -0.35 0.00 0.48 0.00 0.00 55.95 56.45 1f4h s SER 1000Cb 0.35 0.29 -0.15 0.00 0.10 0.00 0.00 66.02 66.62 1f4h s SER 1000CO -0.08 -0.47 1.56 -2.65 0.98 0.00 0.00 173.24 172.59 1f4h n PRO 1001N -0.14 1.73 0.00 4.02 -0.02 -1.26 -4.81 135.00 134.52 1f4h n PRO 1001Ca -0.06 0.63 0.00 0.00 -2.02 0.00 0.00 63.50 62.05 1f4h n PRO 1001Cb 0.60 -2.36 0.00 0.00 -0.02 0.00 0.00 33.50 31.73 1f4h n PRO 1001CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1f4h n SER 1002N 3.80 0.05 -4.67 2.55 3.41 -1.26 -4.98 113.62 112.51 1f4h n SER 1002Ca 0.19 -0.41 -0.43 0.00 -0.26 0.00 0.00 58.87 57.97 1f4h n SER 1002Cb 0.24 0.69 -0.02 0.00 -0.26 0.00 0.00 64.21 64.86 1f4h n SER 1002CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1f4h s VAL 1003N -0.69 3.99 0.62 -3.33 1.01 -1.26 -4.56 120.40 116.18 1f4h s VAL 1003Ca 0.00 1.23 -0.18 0.00 0.00 0.00 0.00 61.98 63.03 1f4h s VAL 1003Cb 0.00 -3.80 -0.02 0.00 0.00 0.00 0.00 36.38 32.56 1f4h s VAL 1003CO 0.00 -0.08 1.25 -0.44 0.00 0.00 0.00 175.10 175.83 1f4h s SER 1004N 2.32 4.87 0.23 3.32 0.01 -1.26 -4.87 113.70 118.32 1f4h s SER 1004Ca 0.62 2.51 -0.09 0.00 1.31 0.00 0.00 55.95 60.29 1f4h s SER 1004Cb -0.27 -2.61 0.36 0.00 0.21 0.00 0.00 66.02 63.72 1f4h s SER 1004CO 0.21 -1.82 1.66 0.00 0.41 0.00 0.00 173.24 173.70 1f4h h ALA 1005N 0.68 0.72 0.00 1.44 0.00 -1.96 -1.12 119.26 119.01 1f4h h ALA 1005Ca -0.51 0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1f4h h ALA 1005Cb 1.32 0.33 0.00 0.00 0.00 0.00 0.00 17.79 19.44 1f4h h ALA 1005CO 0.54 -0.39 0.60 0.93 0.00 0.00 0.00 179.25 180.93 1f4h h GLU 1006N 0.14 0.00 -0.24 0.00 3.07 -2.02 0.22 114.58 115.74 1f4h h GLU 1006Ca 0.36 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.22 1f4h h GLU 1006Cb 0.61 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.52 1f4h h GLU 1006CO -0.56 0.00 0.00 1.19 -1.40 0.00 0.00 179.01 178.24 1f4h n PHE 1007N -2.65 0.32 -3.43 4.33 3.01 -0.43 -4.98 117.46 113.63 1f4h n PHE 1007Ca -0.01 -0.31 -0.37 0.00 1.01 0.00 0.00 57.45 57.77 1f4h n PHE 1007Cb 0.63 -0.02 -0.06 0.00 -0.01 0.00 0.00 39.48 40.02 1f4h n PHE 1007CO 0.00 0.00 0.00 -0.65 1.01 0.00 0.00 176.76 177.12 1f4h s GLN 1008N -1.01 4.20 -1.09 -1.08 -0.21 0.06 -1.54 119.66 119.00 1f4h s GLN 1008Ca 0.21 0.33 -0.22 0.00 0.02 0.00 0.00 55.36 55.70 1f4h s GLN 1008Cb 0.12 -3.38 -0.01 0.00 1.00 0.00 0.00 33.01 30.74 1f4h s GLN 1008CO 0.17 0.32 1.79 -0.51 -2.12 0.00 0.00 175.29 174.93 1f4h s LEU 1009N 0.15 3.35 -0.02 2.90 1.43 -1.26 -4.74 118.68 120.48 1f4h s LEU 1009Ca 0.22 -1.49 0.08 0.00 -1.03 0.00 0.00 54.13 51.91 1f4h s LEU 1009Cb -0.15 -2.57 0.21 0.00 0.03 0.00 0.00 46.19 43.71 1f4h s LEU 1009CO 0.09 -2.22 1.17 -1.54 0.23 0.00 0.00 176.35 174.07 1f4h n SER 1010N 11.76 2.63 0.03 2.29 3.41 -1.26 -4.40 113.62 128.07 1f4h n SER 1010Ca 0.42 -2.16 -0.08 0.00 -0.26 0.00 0.00 58.87 56.78 1f4h n SER 1010Cb 0.48 -0.19 0.07 0.00 -0.26 0.00 0.00 64.21 64.31 1f4h n SER 1010CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1f4h h ALA 1011N 1.11 0.73 0.00 7.33 0.00 -1.98 -3.49 119.26 122.96 1f4h h ALA 1011Ca 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.38 1f4h h ALA 1011Cb 0.73 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1f4h h ALA 1011CO 0.02 0.70 0.00 0.41 0.00 0.00 0.00 179.25 180.38 1f4h n GLY 1012N 0.28 2.12 3.76 0.00 0.00 -1.26 -4.96 105.19 105.13 1f4h n GLY 1012Ca -0.03 -0.69 -0.35 0.00 0.00 0.00 0.00 46.02 44.95 1f4h n GLY 1012CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1f4h s ARG 1013N 0.00 4.06 -0.06 1.61 3.00 -1.26 0.17 118.95 126.47 1f4h s ARG 1013Ca 0.00 -0.18 0.02 0.00 0.00 0.00 0.00 55.73 55.57 1f4h s ARG 1013Cb 0.00 -3.38 0.01 0.00 0.00 0.00 0.00 34.95 31.58 1f4h s ARG 1013CO 0.00 0.38 -0.12 0.71 0.00 0.00 0.00 175.30 176.28 1f4h s TYR 1014N 0.11 1.37 -0.04 -0.53 1.51 0.01 -4.99 117.35 114.79 1f4h s TYR 1014Ca 0.10 -0.48 0.04 0.00 -1.01 0.00 0.00 57.07 55.72 1f4h s TYR 1014Cb -0.11 -1.01 0.00 0.00 -0.11 0.00 0.00 41.96 40.73 1f4h s TYR 1014CO -0.00 -0.24 -0.15 -1.58 -1.11 0.00 0.00 175.55 172.46 1f4h s HIS 1015N 0.58 1.55 0.14 2.71 2.46 -1.26 -0.54 115.29 120.93 1f4h s HIS 1015Ca -0.12 -0.46 -0.21 0.00 0.47 0.00 0.00 55.06 54.74 1f4h s HIS 1015Cb -0.15 -1.06 0.06 0.00 -0.13 0.00 0.00 32.58 31.30 1f4h s HIS 1015CO 0.03 -0.17 0.53 1.52 -2.47 0.00 0.00 174.74 174.18 1f4h s TYR 1016N 0.16 -0.43 -0.11 3.88 -0.85 -0.41 -5.02 117.35 114.57 1f4h s TYR 1016Ca -0.05 0.20 -0.05 0.00 -0.52 0.00 0.00 57.07 56.65 1f4h s TYR 1016Cb -0.12 0.45 0.05 0.00 0.38 0.00 0.00 41.96 42.73 1f4h s TYR 1016CO 0.02 -0.79 0.24 1.14 -1.52 0.00 0.00 175.55 174.64 1f4h s GLN 1017N -3.66 0.15 0.40 -3.49 -2.07 -1.26 0.45 119.66 110.18 1f4h s GLN 1017Ca 0.01 0.62 0.03 0.00 -1.82 0.00 0.00 55.36 54.20 1f4h s GLN 1017Cb -0.00 -0.11 -0.01 0.00 -1.09 0.00 0.00 33.01 31.81 1f4h s GLN 1017CO -0.12 -0.23 0.59 -0.51 -1.32 0.00 0.00 175.29 173.69 1f4h s LEU 1018N 1.89 3.80 -0.35 2.60 1.43 0.11 -4.65 118.68 123.51 1f4h s LEU 1018Ca -0.03 0.12 -0.00 0.00 -1.03 0.00 0.00 54.13 53.18 1f4h s LEU 1018Cb -0.11 -3.01 0.12 0.00 0.03 0.00 0.00 46.19 43.21 1f4h s LEU 1018CO -0.08 -0.57 0.16 -0.69 0.23 0.00 0.00 176.35 175.40 1f4h s VAL 1019N -2.39 0.66 0.14 -1.59 1.01 0.00 -0.45 120.40 117.78 1f4h s VAL 1019Ca 0.46 -1.63 -0.28 0.00 0.00 0.00 0.00 61.98 60.53 1f4h s VAL 1019Cb -0.10 -1.49 -0.07 0.00 0.00 0.00 0.00 36.38 34.72 1f4h s VAL 1019CO 0.35 -0.81 0.88 0.86 0.00 0.00 0.00 175.10 176.38 1f4h s TRP 1020N 1.28 3.86 0.28 5.22 -0.11 -0.71 -1.63 118.94 127.12 1f4h s TRP 1020Ca 0.13 1.74 -0.19 0.00 1.22 0.00 0.00 56.10 59.00 1f4h s TRP 1020Cb -0.20 -2.94 0.06 0.00 -1.50 0.00 0.00 33.47 28.89 1f4h s TRP 1020CO -0.15 0.34 0.91 0.00 -4.62 0.00 0.00 176.95 173.43 1f4h s GLN 1022N -2.33 1.36 0.00 0.00 1.11 -1.26 0.60 119.66 119.14 1f4h s GLN 1022Ca 0.18 -0.43 0.00 0.00 0.01 0.00 0.00 55.36 55.12 1f4h s GLN 1022Cb -0.04 -1.21 0.00 0.00 -1.01 0.00 0.00 33.01 30.76 1f4h s GLN 1022CO 0.08 0.15 0.00 0.36 0.01 0.00 0.00 175.29 175.89