#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 2.46 -0.09 9.51 -2.24 -1.26 -3.34 114.28 119.32 1f4h n THR 4 Ca 0.00 -1.30 0.00 0.00 -2.27 0.00 0.00 64.05 60.48 1f4h n THR 4 Cb 0.00 -0.41 0.00 0.00 -2.10 0.00 0.00 70.33 67.82 1f4h n THR 4 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1f4h n ASP 5 N 0.03 0.41 -4.76 3.42 9.92 -1.26 -4.73 116.55 119.57 1f4h n ASP 5 Ca 0.32 -0.70 -0.37 0.00 -0.53 0.00 0.00 54.79 53.51 1f4h n ASP 5 Cb 1.19 0.41 0.02 0.00 -0.64 0.00 0.00 41.12 42.09 1f4h n ASP 5 CO 0.00 0.00 0.00 -0.94 0.13 0.00 0.00 177.20 176.39 1f4h s SER 6 N -0.41 5.66 0.30 -2.24 1.04 -1.21 -4.75 113.70 112.09 1f4h s SER 6 Ca 0.00 2.47 -0.00 0.00 0.48 0.00 0.00 55.95 58.89 1f4h s SER 6 Cb 0.00 -2.61 0.50 0.00 0.10 0.00 0.00 66.02 64.01 1f4h s SER 6 CO 0.00 -1.28 1.93 -0.07 0.98 0.00 0.00 173.24 174.80 1f4h h LEU 7 N 1.59 0.92 -0.38 2.42 3.38 -1.93 0.19 115.31 121.50 1f4h h LEU 7 Ca -0.50 -0.01 0.03 0.00 0.09 0.00 0.00 57.88 57.50 1f4h h LEU 7 Cb 1.28 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 41.77 1f4h h LEU 7 CO 0.58 0.62 -0.22 0.00 0.09 0.00 0.00 178.44 179.51 1f4h n ALA 8 N -2.40 -0.24 -0.04 1.53 0.00 -1.26 -0.70 120.51 117.40 1f4h n ALA 8 Ca 0.12 0.32 -0.14 0.00 0.00 0.00 0.00 53.44 53.75 1f4h n ALA 8 Cb 0.14 0.24 -0.09 0.00 0.00 0.00 0.00 19.45 19.74 1f4h n ALA 8 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1f4h h VAL 9 N 0.00 1.41 0.00 0.00 2.07 -1.75 -3.26 116.25 114.72 1f4h h VAL 9 Ca 0.06 -1.42 0.00 0.00 0.82 0.00 0.00 66.70 66.17 1f4h h VAL 9 Cb 0.16 2.19 0.00 0.00 -1.52 0.00 0.00 31.29 32.12 1f4h h VAL 9 CO -0.36 0.39 0.00 0.52 0.02 0.00 0.00 177.57 178.15 1f4h n VAL 10 N -4.64 0.00 0.05 2.57 0.31 0.03 -2.61 118.33 114.05 1f4h n VAL 10 Ca -0.08 1.23 0.02 0.00 -0.01 0.00 0.00 64.34 65.50 1f4h n VAL 10 Cb 0.36 -2.03 0.09 0.00 -0.91 0.00 0.00 33.84 31.36 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 -1.49 0.09 0.09 7.52 4.77 0.12 -1.90 117.00 126.20 1f4h n LEU 11 Ca 0.00 0.32 -0.12 0.00 -0.03 0.00 0.00 56.01 56.18 1f4h n LEU 11 Cb 0.00 -0.29 -0.05 0.00 -2.33 0.00 0.00 43.42 40.75 1f4h n LEU 11 CO 0.00 -0.35 0.72 -0.61 -1.33 0.00 0.00 177.39 175.81 1f4h h GLN 12 N 0.00 -0.37 -0.39 3.23 5.75 -1.54 -2.87 115.11 118.93 1f4h h GLN 12 Ca 0.00 0.03 0.07 0.00 -0.15 0.00 0.00 58.65 58.59 1f4h h GLN 12 Cb 0.60 0.08 -0.02 0.00 1.07 0.00 0.00 27.48 29.22 1f4h h GLN 12 CO 0.00 -0.25 0.26 0.00 -2.65 0.00 0.00 178.83 176.20 1f4h h ARG 13 N -0.39 0.21 -5.76 1.69 2.47 -1.54 -3.47 114.38 107.60 1f4h h ARG 13 Ca 0.04 -0.01 -0.34 0.00 -1.26 0.00 0.00 59.98 58.40 1f4h h ARG 13 Cb 0.43 -0.05 0.14 0.00 -1.65 0.00 0.00 29.97 28.84 1f4h h ARG 13 CO -0.15 0.14 -0.82 0.54 0.56 0.00 0.00 179.97 180.25 1f4h n ARG 14 N -4.47 -4.86 0.29 0.04 1.74 -1.08 -4.88 116.66 103.44 1f4h n ARG 14 Ca 0.05 0.77 0.16 0.00 -0.77 0.00 0.00 57.85 58.05 1f4h n ARG 14 Cb 0.30 -5.56 0.90 0.00 -1.02 0.00 0.00 32.46 27.08 1f4h n ARG 14 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 1f4h h ASP 15 N -1.71 0.00 0.07 0.55 3.32 -1.90 -0.72 116.42 116.03 1f4h h ASP 15 Ca -0.60 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.45 1f4h h ASP 15 Cb 1.34 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.89 1f4h h ASP 15 CO 0.50 0.04 0.00 -2.67 -1.72 0.00 0.00 179.24 175.39 1f4h n TRP 16 N -3.64 0.00 -2.17 4.55 2.14 -1.26 -2.49 117.44 114.56 1f4h n TRP 16 Ca -0.03 0.00 -0.20 0.00 2.07 0.00 0.00 57.50 59.34 1f4h n TRP 16 Cb 0.13 -0.06 0.02 0.00 -0.81 0.00 0.00 31.31 30.60 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 -1.06 3.29 -3.26 -2.67 1.02 -0.28 0.65 120.64 118.34 1f4h n GLU 17 Ca 0.13 -4.07 -0.05 0.00 -0.02 0.00 0.00 57.16 53.15 1f4h n GLU 17 Cb 0.08 -2.16 -0.04 0.00 -0.02 0.00 0.00 31.44 29.30 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 -0.27 0.31 1.62 3.84 -1.04 -4.80 114.94 110.98 1f4h s ASN 18 Ca 0.47 -0.34 0.15 0.00 0.21 0.00 0.00 52.86 53.35 1f4h s ASN 18 Cb 0.40 1.39 0.83 0.00 -0.55 0.00 0.00 41.25 43.32 1f4h s ASN 18 CO 0.02 -0.32 1.40 -0.81 -2.79 0.00 0.00 177.10 174.60 1f4h n PRO 19 N 5.22 0.10 -0.29 0.43 -0.04 -1.26 0.15 135.00 139.31 1f4h n PRO 19 Ca 0.03 0.58 0.10 0.00 -0.04 0.00 0.00 63.50 64.18 1f4h n PRO 19 Cb 0.51 -2.04 0.27 0.00 -0.04 0.00 0.00 33.50 32.20 1f4h n PRO 19 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1f4h n GLY 20 N -1.28 1.75 2.68 0.55 0.00 -1.26 -4.47 105.19 103.16 1f4h n GLY 20 Ca -0.01 -0.65 -0.27 0.00 0.00 0.00 0.00 46.02 45.09 1f4h n GLY 20 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1f4h s VAL 21 N -1.25 0.30 -0.09 1.61 1.01 0.12 -4.99 120.40 117.11 1f4h s VAL 21 Ca 0.40 -0.47 0.11 0.00 0.00 0.00 0.00 61.98 62.02 1f4h s VAL 21 Cb 0.21 -0.90 -0.16 0.00 0.00 0.00 0.00 36.38 35.53 1f4h s VAL 21 CO 0.28 -0.28 0.11 0.35 0.00 0.00 0.00 175.10 175.56 1f4h n THR 22 N 5.13 0.60 -3.69 3.92 -2.24 -1.26 -4.79 114.28 111.94 1f4h n THR 22 Ca -0.08 -0.45 -0.11 0.00 -2.27 0.00 0.00 64.05 61.14 1f4h n THR 22 Cb 0.47 -0.44 -0.06 0.00 -2.10 0.00 0.00 70.33 68.20 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 -2.45 0.95 -0.19 -0.78 1.03 -1.26 0.09 119.66 117.05 1f4h s GLN 23 Ca -0.06 -0.61 -0.05 0.00 0.04 0.00 0.00 55.36 54.69 1f4h s GLN 23 Cb 0.05 0.42 0.07 0.00 0.03 0.00 0.00 33.01 33.57 1f4h s GLN 23 CO 0.50 -0.34 0.11 -1.17 -2.54 0.00 0.00 175.29 171.85 1f4h s LEU 24 N -2.46 0.33 -0.46 2.60 2.96 0.02 -4.85 118.68 116.83 1f4h s LEU 24 Ca -0.01 -0.68 -0.01 0.00 -0.22 0.00 0.00 54.13 53.21 1f4h s LEU 24 Cb 0.01 -0.20 0.00 0.00 0.50 0.00 0.00 46.19 46.50 1f4h s LEU 24 CO -0.08 -0.36 0.16 0.59 -1.32 0.00 0.00 176.35 175.34 1f4h n ASN 25 N 5.28 -2.82 -4.70 3.68 3.02 -1.26 -1.53 115.26 116.93 1f4h n ASN 25 Ca -0.07 -0.07 -0.37 0.00 -0.03 0.00 0.00 54.58 54.04 1f4h n ASN 25 Cb 0.48 -1.80 -0.08 0.00 -0.61 0.00 0.00 39.78 37.78 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 -4.80 4.21 0.59 3.52 3.52 -1.26 -4.62 118.95 120.10 1f4h s ARG 26 Ca 0.08 0.08 -0.20 0.00 -0.13 0.00 0.00 55.73 55.56 1f4h s ARG 26 Cb -0.03 -3.48 -0.03 0.00 -1.56 0.00 0.00 34.95 29.84 1f4h s ARG 26 CO 0.10 0.12 1.31 1.28 -0.81 0.00 0.00 175.30 177.29 1f4h n LEU 27 N 3.98 5.59 -4.72 -0.88 4.77 -0.62 -4.96 117.00 120.16 1f4h n LEU 27 Ca -0.11 0.91 -0.36 0.00 -0.03 0.00 0.00 56.01 56.42 1f4h n LEU 27 Cb 0.52 -1.56 0.08 0.00 -2.33 0.00 0.00 43.42 40.13 1f4h n LEU 27 CO 0.39 -0.83 0.87 0.00 -1.33 0.00 0.00 177.39 176.50 1f4h s ALA 28 N -1.34 2.24 0.83 -1.18 0.00 -1.26 -4.71 121.76 116.34 1f4h s ALA 28 Ca 0.76 1.13 -0.12 0.00 0.00 0.00 0.00 51.96 53.73 1f4h s ALA 28 Cb -0.40 -3.54 0.09 0.00 0.00 0.00 0.00 23.12 19.26 1f4h s ALA 28 CO 0.46 -1.78 1.11 0.00 0.00 0.00 0.00 175.76 175.55 1f4h s ALA 29 N -1.58 2.16 0.00 0.00 0.00 -1.26 -5.01 121.76 116.07 1f4h s ALA 29 Ca 0.80 -0.34 0.00 0.00 0.00 0.00 0.00 51.96 52.42 1f4h s ALA 29 Cb -0.35 -3.07 0.00 0.00 0.00 0.00 0.00 23.12 19.70 1f4h s ALA 29 CO 0.43 -1.87 0.00 -2.39 0.00 0.00 0.00 175.76 171.93 1f4h n HIS 30 N -3.51 0.00 -0.67 0.00 1.44 -1.26 -4.91 115.22 106.31 1f4h n HIS 30 Ca 0.07 0.00 -0.31 0.00 -2.01 0.00 0.00 57.72 55.47 1f4h n HIS 30 Cb 0.58 0.00 0.17 0.00 0.12 0.00 0.00 29.99 30.86 1f4h n HIS 30 CO 0.00 0.00 0.00 -0.35 -2.81 0.00 0.00 176.34 173.18 1f4h n PRO 31 N -0.03 -0.50 -1.68 -1.40 -0.05 -1.10 -4.52 135.00 125.72 1f4h n PRO 31 Ca 0.00 -0.08 -0.43 0.00 -0.05 0.00 0.00 63.50 62.94 1f4h n PRO 31 Cb 0.00 -2.37 -0.03 0.00 -0.05 0.00 0.00 33.50 31.05 1f4h n PRO 31 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 175.50 173.15 1f4h n PRO 32 N -4.23 2.71 -4.23 0.54 -0.02 -1.26 -5.00 135.00 123.51 1f4h n PRO 32 Ca 0.12 0.99 -0.25 0.00 -2.02 0.00 0.00 63.50 62.33 1f4h n PRO 32 Cb 0.52 -2.89 -0.07 0.00 -0.02 0.00 0.00 33.50 31.03 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 3.32 2.81 0.00 6.00 2.99 -1.26 -4.81 117.98 127.02 1f4h s PHE 33 Ca 0.85 -0.16 0.00 0.00 0.00 0.00 0.00 56.93 57.62 1f4h s PHE 33 Cb -0.50 -1.33 0.00 0.00 0.00 0.00 0.00 43.02 41.19 1f4h s PHE 33 CO 0.40 0.54 0.05 0.00 -0.00 0.00 0.00 175.22 176.22 1f4h n ALA 34 N -0.36 0.28 -4.20 5.36 0.00 -1.26 -5.05 120.51 115.28 1f4h n ALA 34 Ca -0.09 -0.05 -0.30 0.00 0.00 0.00 0.00 53.44 53.00 1f4h n ALA 34 Cb 0.56 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.94 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 -0.01 0.35 -4.66 0.00 2.88 -1.25 -4.51 113.62 106.41 1f4h n SER 35 Ca 0.00 -1.20 -0.30 0.00 -1.33 0.00 0.00 58.87 56.04 1f4h n SER 35 Cb 0.21 -2.04 0.16 0.00 -0.75 0.00 0.00 64.21 61.79 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 -4.22 1.97 -0.04 0.66 0.51 -0.75 -4.63 118.94 112.44 1f4h s TRP 36 Ca 0.02 1.39 0.06 0.00 -2.12 0.00 0.00 56.10 55.45 1f4h s TRP 36 Cb -0.01 -3.18 0.09 0.00 -0.81 0.00 0.00 33.47 29.56 1f4h s TRP 36 CO 0.96 -2.76 0.96 0.54 -0.51 0.00 0.00 176.95 176.15 1f4h n ARG 37 N -4.16 0.90 -3.43 4.98 5.12 -1.26 -0.35 116.66 118.46 1f4h n ARG 37 Ca 0.07 -1.50 -0.18 0.00 -1.93 0.00 0.00 57.85 54.32 1f4h n ARG 37 Cb 0.54 -0.90 -0.11 0.00 -1.16 0.00 0.00 32.46 30.83 1f4h n ARG 37 CO 0.00 0.00 0.00 1.21 -1.93 0.00 0.00 177.63 176.91 1f4h s ASN 38 N -1.42 1.71 0.24 0.55 2.47 -1.26 -4.94 114.94 112.29 1f4h s ASN 38 Ca 0.10 -0.63 -0.12 0.00 0.42 0.00 0.00 52.86 52.63 1f4h s ASN 38 Cb 0.09 0.43 0.33 0.00 -1.45 0.00 0.00 41.25 40.65 1f4h s ASN 38 CO 0.01 -0.37 1.48 -0.24 -3.72 0.00 0.00 177.10 174.26 1f4h n SER 39 N 5.31 -0.48 -0.25 -4.21 2.88 -1.26 -0.19 113.62 115.42 1f4h n SER 39 Ca -0.03 1.65 0.06 0.00 -1.33 0.00 0.00 58.87 59.21 1f4h n SER 39 Cb 0.47 -0.44 0.18 0.00 -0.75 0.00 0.00 64.21 63.67 1f4h n SER 39 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 1f4h h GLU 40 N 0.00 0.25 -0.29 -1.46 4.39 -1.98 1.00 114.58 116.49 1f4h h GLU 40 Ca 0.39 -0.02 -0.04 0.00 0.34 0.00 0.00 59.36 60.04 1f4h h GLU 40 Cb 0.63 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.21 1f4h h GLU 40 CO -0.96 0.17 0.03 0.93 -1.16 0.00 0.00 179.01 178.02 1f4h h GLU 41 N 0.26 0.49 -0.94 2.33 5.08 -0.93 0.56 114.58 121.44 1f4h h GLU 41 Ca 0.42 -0.14 0.11 0.00 -1.00 0.00 0.00 59.36 58.74 1f4h h GLU 41 Cb 0.71 -0.05 -0.07 0.00 0.50 0.00 0.00 28.75 29.84 1f4h h GLU 41 CO -0.52 0.61 0.60 0.00 -1.00 0.00 0.00 179.01 178.71 1f4h h ALA 42 N 0.86 1.62 -0.20 3.43 0.00 0.15 0.92 119.26 126.04 1f4h h ALA 42 Ca 0.09 0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.85 1f4h h ALA 42 Cb 0.37 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1f4h h ALA 42 CO 0.01 0.17 -0.50 -0.09 0.00 0.00 0.00 179.25 178.84 1f4h h ARG 43 N 0.91 0.54 -0.47 0.00 2.43 0.16 -2.56 114.38 115.38 1f4h h ARG 43 Ca 0.45 -0.31 0.00 0.00 -0.81 0.00 0.00 59.98 59.30 1f4h h ARG 43 Cb 0.47 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.05 1f4h h ARG 43 CO -0.21 0.91 0.00 0.25 -1.51 0.00 0.00 179.97 179.41 1f4h n THR 44 N -3.98 0.63 -3.83 0.20 -2.24 0.12 -4.89 114.28 100.28 1f4h n THR 44 Ca -0.03 -0.67 -0.25 0.00 -2.27 0.00 0.00 64.05 60.83 1f4h n THR 44 Cb 0.57 0.43 0.01 0.00 -2.10 0.00 0.00 70.33 69.25 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 1.03 -1.59 -4.84 3.42 2.03 0.16 -4.92 116.55 111.84 1f4h n ASP 45 Ca 0.18 -0.88 -0.34 0.00 0.52 0.00 0.00 54.79 54.27 1f4h n ASP 45 Cb 0.45 -3.69 -0.06 0.00 -0.72 0.00 0.00 41.12 37.11 1f4h n ASP 45 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1f4h s ARG 46 N -6.29 4.05 0.62 -0.67 0.52 0.27 -5.00 118.95 112.45 1f4h s ARG 46 Ca 0.14 0.66 -0.18 0.00 -0.52 0.00 0.00 55.73 55.83 1f4h s ARG 46 Cb -0.07 -2.66 -0.04 0.00 0.52 0.00 0.00 34.95 32.71 1f4h s ARG 46 CO 0.84 0.29 1.07 -2.30 0.02 0.00 0.00 175.30 175.22 1f4h n PRO 47 N 0.14 0.96 -3.60 3.54 -0.02 -1.26 -4.66 135.00 130.11 1f4h n PRO 47 Ca 0.00 0.38 -0.37 0.00 -2.02 0.00 0.00 63.50 61.49 1f4h n PRO 47 Cb 0.52 -2.29 -0.09 0.00 -0.02 0.00 0.00 33.50 31.62 1f4h n PRO 47 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1f4h s SER 48 N -1.29 6.15 0.61 2.55 0.15 -1.26 -4.92 113.70 115.68 1f4h s SER 48 Ca 0.78 0.15 0.36 0.00 0.70 0.00 0.00 55.95 57.95 1f4h s SER 48 Cb -0.40 -2.13 1.96 0.00 -1.71 0.00 0.00 66.02 63.74 1f4h s SER 48 CO 0.45 0.01 2.24 1.56 1.20 0.00 0.00 173.24 178.70 1f4h h GLN 49 N 7.67 0.00 -0.13 5.44 1.08 -1.92 -2.01 115.11 125.24 1f4h h GLN 49 Ca -0.37 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.83 1f4h h GLN 49 Cb 1.17 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.60 1f4h h GLN 49 CO 0.65 0.03 0.00 1.04 -0.95 0.00 0.00 178.83 179.59 1f4h n GLN 50 N -3.40 1.54 -3.65 1.46 3.00 -1.26 -4.72 117.38 110.36 1f4h n GLN 50 Ca -0.02 -0.82 -0.26 0.00 -0.01 0.00 0.00 57.00 55.89 1f4h n GLN 50 Cb 0.13 -1.36 -0.17 0.00 0.00 0.00 0.00 30.24 28.85 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 -1.54 0.56 -0.13 1.08 2.96 -0.76 -1.76 118.68 119.09 1f4h s LEU 51 Ca 0.30 -0.60 -0.03 0.00 -0.22 0.00 0.00 54.13 53.58 1f4h s LEU 51 Cb 0.16 -0.33 -0.03 0.00 0.50 0.00 0.00 46.19 46.48 1f4h s LEU 51 CO 0.24 -0.33 -0.02 -0.13 -1.32 0.00 0.00 176.35 174.79 1f4h s ARG 52 N 2.06 3.40 0.13 1.98 0.52 0.13 -4.71 118.95 122.46 1f4h s ARG 52 Ca 0.02 -0.47 -0.16 0.00 -0.52 0.00 0.00 55.73 54.59 1f4h s ARG 52 Cb -0.16 -2.87 -0.07 0.00 0.52 0.00 0.00 34.95 32.37 1f4h s ARG 52 CO -0.08 0.43 0.58 0.45 0.02 0.00 0.00 175.30 176.69 1f4h s SER 53 N -0.13 6.93 -0.19 0.23 0.15 -1.26 -0.08 113.70 119.35 1f4h s SER 53 Ca 0.03 1.18 0.16 0.00 0.70 0.00 0.00 55.95 58.02 1f4h s SER 53 Cb -0.13 -2.33 0.46 0.00 -1.71 0.00 0.00 66.02 62.31 1f4h s SER 53 CO 0.02 0.14 1.35 0.18 1.20 0.00 0.00 173.24 176.13 1f4h n LEU 54 N 1.06 3.46 -4.76 3.45 4.77 0.38 -4.93 117.00 120.44 1f4h n LEU 54 Ca -0.06 -3.21 -0.41 0.00 -0.03 0.00 0.00 56.01 52.30 1f4h n LEU 54 Cb 0.51 -0.53 -0.02 0.00 -2.33 0.00 0.00 43.42 41.05 1f4h n LEU 54 CO 0.42 0.82 1.00 0.20 -1.33 0.00 0.00 177.39 178.50 1f4h s ASN 55 N -2.36 6.79 0.00 -1.43 -0.87 -1.24 -4.82 114.94 111.00 1f4h s ASN 55 Ca 0.40 2.61 0.00 0.00 -1.57 0.00 0.00 52.86 54.30 1f4h s ASN 55 Cb 0.34 -2.63 0.00 0.00 -0.02 0.00 0.00 41.25 38.93 1f4h s ASN 55 CO 0.05 -0.56 0.00 0.61 -2.57 0.00 0.00 177.10 174.63 1f4h n GLY 56 N 1.50 -0.01 3.72 0.66 0.00 0.20 -4.96 105.19 106.30 1f4h n GLY 56 Ca 0.03 -0.85 -0.42 0.00 0.00 0.00 0.00 46.02 44.78 1f4h n GLY 56 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1f4h s GLU 57 N -1.97 4.38 0.03 1.61 2.12 -1.26 0.16 118.70 123.77 1f4h s GLU 57 Ca 0.00 2.00 -0.20 0.00 0.36 0.00 0.00 54.97 57.13 1f4h s GLU 57 Cb 0.00 -3.25 0.04 0.00 0.26 0.00 0.00 34.13 31.18 1f4h s GLU 57 CO 0.00 -0.31 0.44 -1.58 -0.54 0.00 0.00 175.26 173.27 1f4h s TRP 58 N 0.66 -0.32 -0.20 5.30 0.52 0.74 -4.90 118.94 120.74 1f4h s TRP 58 Ca 0.60 0.36 -0.16 0.00 0.02 0.00 0.00 56.10 56.93 1f4h s TRP 58 Cb -0.35 0.24 -0.04 0.00 -1.15 0.00 0.00 33.47 32.17 1f4h s TRP 58 CO 0.33 -0.56 0.39 1.03 0.02 0.00 0.00 176.95 178.16 1f4h s ARG 59 N -2.16 4.17 0.17 4.98 0.52 -0.83 0.27 118.95 126.07 1f4h s ARG 59 Ca -0.07 0.18 0.07 0.00 -0.52 0.00 0.00 55.73 55.38 1f4h s ARG 59 Cb -0.01 -3.54 -0.04 0.00 0.52 0.00 0.00 34.95 31.88 1f4h s ARG 59 CO 0.00 -0.03 -0.14 0.12 0.02 0.00 0.00 175.30 175.27 1f4h s PHE 60 N 1.30 1.57 -0.30 -0.53 5.36 -0.64 0.60 117.98 125.34 1f4h s PHE 60 Ca 0.18 -0.58 -0.12 0.00 -0.96 0.00 0.00 56.93 55.45 1f4h s PHE 60 Cb -0.15 -0.77 0.14 0.00 -0.34 0.00 0.00 43.02 41.91 1f4h s PHE 60 CO 0.08 0.25 0.80 0.00 -1.46 0.00 0.00 175.22 174.89 1f4h s ALA 61 N -2.66 -2.33 0.23 11.12 0.00 -0.66 -2.07 121.76 125.39 1f4h s ALA 61 Ca 0.17 2.22 -0.19 0.00 0.00 0.00 0.00 51.96 54.16 1f4h s ALA 61 Cb -0.02 -1.89 -0.08 0.00 0.00 0.00 0.00 23.12 21.13 1f4h s ALA 61 CO 0.05 -0.91 0.72 -0.46 0.00 0.00 0.00 175.76 175.15 1f4h s TRP 62 N 2.64 3.61 -0.08 0.00 -0.00 -1.26 -0.08 118.94 123.78 1f4h s TRP 62 Ca -0.05 1.36 -0.07 0.00 -0.00 0.00 0.00 56.10 57.35 1f4h s TRP 62 Cb -0.09 -2.60 0.02 0.00 -0.00 0.00 0.00 33.47 30.80 1f4h s TRP 62 CO -0.18 0.31 0.21 -0.06 -0.00 0.00 0.00 176.95 177.22 1f4h s PHE 63 N -1.58 -0.23 0.51 5.86 0.40 0.12 -4.98 117.98 118.08 1f4h s PHE 63 Ca 0.44 0.57 0.31 0.00 -0.60 0.00 0.00 56.93 57.65 1f4h s PHE 63 Cb -0.16 0.07 1.42 0.00 0.51 0.00 0.00 43.02 44.86 1f4h s PHE 63 CO 0.20 -0.12 1.84 -1.00 0.70 0.00 0.00 175.22 176.84 1f4h h PRO 64 N 6.03 0.09 -2.65 0.24 0.13 -1.86 0.84 132.00 134.81 1f4h h PRO 64 Ca -0.28 -0.01 0.06 0.00 -0.87 0.00 0.00 66.00 64.90 1f4h h PRO 64 Cb 1.19 -0.02 -0.12 0.00 0.13 0.00 0.00 31.00 32.17 1f4h h PRO 64 CO 0.38 0.06 0.35 0.00 -0.23 0.00 0.00 178.00 178.56 1f4h s ALA 65 N -5.08 -1.67 0.11 -0.56 0.00 -1.24 -1.12 121.76 112.20 1f4h s ALA 65 Ca -0.06 0.61 -0.34 0.00 0.00 0.00 0.00 51.96 52.17 1f4h s ALA 65 Cb 0.23 0.67 -0.14 0.00 0.00 0.00 0.00 23.12 23.89 1f4h s ALA 65 CO 0.79 -0.78 1.56 -1.35 0.00 0.00 0.00 175.76 175.98 1f4h h PRO 66 N 2.00 -0.72 0.00 0.00 0.11 -1.82 -2.75 132.00 128.83 1f4h h PRO 66 Ca -0.27 0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.89 1f4h h PRO 66 Cb 1.27 0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.54 1f4h h PRO 66 CO 0.33 -0.48 0.05 -0.85 -0.21 0.00 0.00 178.00 176.84 1f4h n GLU 67 N -5.49 0.13 -0.02 1.05 0.28 -1.26 -0.64 120.64 114.69 1f4h n GLU 67 Ca -0.08 0.63 0.08 0.00 -0.16 0.00 0.00 57.16 57.63 1f4h n GLU 67 Cb 0.41 -1.99 0.42 0.00 1.43 0.00 0.00 31.44 31.71 1f4h n GLU 67 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1f4h n ALA 68 N -1.75 2.57 -2.09 -1.84 0.00 -1.04 -4.79 120.51 111.57 1f4h n ALA 68 Ca -0.01 -0.20 -0.39 0.00 0.00 0.00 0.00 53.44 52.83 1f4h n ALA 68 Cb 0.08 -1.20 -0.06 0.00 0.00 0.00 0.00 19.45 18.27 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 -1.94 4.49 -0.12 0.00 1.01 0.19 -5.00 120.40 119.02 1f4h s VAL 69 Ca 0.24 1.59 -0.16 0.00 0.00 0.00 0.00 61.98 63.66 1f4h s VAL 69 Cb 0.12 -4.09 -0.05 0.00 0.00 0.00 0.00 36.38 32.37 1f4h s VAL 69 CO 0.19 0.51 0.39 -2.16 0.00 0.00 0.00 175.10 174.03 1f4h s PRO 70 N -1.01 4.23 0.59 2.72 0.04 -1.26 -4.95 135.00 135.36 1f4h s PRO 70 Ca 0.35 0.30 0.29 0.00 0.04 0.00 0.00 61.00 61.97 1f4h s PRO 70 Cb -0.22 -3.40 1.36 0.00 0.04 0.00 0.00 34.50 32.29 1f4h s PRO 70 CO 0.24 0.27 1.76 1.49 0.04 0.00 0.00 177.00 180.81 1f4h h GLU 71 N 6.39 0.00 -0.90 4.56 4.57 -1.97 -1.65 114.58 125.57 1f4h h GLU 71 Ca -0.43 0.00 0.11 0.00 -1.18 0.00 0.00 59.36 57.86 1f4h h GLU 71 Cb 1.18 0.00 -0.08 0.00 -0.16 0.00 0.00 28.75 29.69 1f4h h GLU 71 CO 0.73 0.00 0.53 0.66 -1.18 0.00 0.00 179.01 179.76 1f4h h SER 72 N 0.00 0.76 -1.15 1.04 4.64 -1.92 -2.03 113.55 114.88 1f4h h SER 72 Ca 0.29 0.05 0.33 0.00 -0.47 0.00 0.00 61.79 62.00 1f4h h SER 72 Cb 1.61 -0.09 -0.05 0.00 -0.31 0.00 0.00 62.40 63.56 1f4h h SER 72 CO -0.00 0.41 0.89 -0.25 -0.87 0.00 0.00 176.83 177.01 1f4h h TRP 73 N 0.86 0.00 0.00 4.77 7.01 -1.43 0.70 115.95 127.86 1f4h h TRP 73 Ca 0.45 0.00 -0.08 0.00 2.11 0.00 0.00 58.89 61.37 1f4h h TRP 73 Cb 0.45 0.00 -0.01 0.00 -2.10 0.00 0.00 29.16 27.49 1f4h h TRP 73 CO -0.04 0.00 -0.38 -0.07 -2.79 0.00 0.00 178.44 175.16 1f4h h LEU 74 N 0.00 0.00 0.00 0.65 3.38 -1.57 -3.36 115.31 114.42 1f4h h LEU 74 Ca 0.55 0.00 -0.36 0.00 0.09 0.00 0.00 57.88 58.16 1f4h h LEU 74 Cb 2.33 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 43.03 1f4h h LEU 74 CO -0.01 0.38 -1.97 1.21 0.09 0.00 0.00 178.44 178.14 1f4h n GLU 75 N -3.64 0.58 -4.16 1.13 4.07 0.24 -3.89 120.64 114.98 1f4h n GLU 75 Ca -0.01 0.40 -0.18 0.00 -0.06 0.00 0.00 57.16 57.32 1f4h n GLU 75 Cb 0.49 -1.61 -0.12 0.00 -0.06 0.00 0.00 31.44 30.14 1f4h n GLU 75 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1f4h n ASP 77 N 1.22 3.47 -4.61 0.00 8.00 -1.26 -3.99 116.55 119.38 1f4h n ASP 77 Ca -0.21 1.20 -0.28 0.00 0.71 0.00 0.00 54.79 56.21 1f4h n ASP 77 Cb 0.54 -1.57 0.21 0.00 -0.02 0.00 0.00 41.12 40.28 1f4h n ASP 77 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1f4h s LEU 78 N -1.30 1.31 -0.20 0.64 1.43 -1.26 -4.96 118.68 114.33 1f4h s LEU 78 Ca 0.57 1.31 0.10 0.00 -1.03 0.00 0.00 54.13 55.08 1f4h s LEU 78 Cb -0.52 -3.39 -0.22 0.00 0.03 0.00 0.00 46.19 42.09 1f4h s LEU 78 CO 0.59 -3.55 0.03 -0.81 0.23 0.00 0.00 176.35 172.85 1f4h n PRO 79 N -4.46 0.67 -0.02 1.29 -0.04 -1.26 -3.91 135.00 127.27 1f4h n PRO 79 Ca 0.04 0.10 0.13 0.00 -0.04 0.00 0.00 63.50 63.73 1f4h n PRO 79 Cb 0.56 -1.56 0.56 0.00 -0.04 0.00 0.00 33.50 33.03 1f4h n PRO 79 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1f4h n GLU 80 N -3.02 1.52 -1.61 0.54 4.71 -1.26 -4.83 120.64 116.69 1f4h n GLU 80 Ca -0.36 -0.77 -0.48 0.00 -0.01 0.00 0.00 57.16 55.54 1f4h n GLU 80 Cb 1.08 -1.45 -0.05 0.00 -1.01 0.00 0.00 31.44 30.01 1f4h n GLU 80 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1f4h n ALA 81 N -0.06 1.05 -2.04 0.62 0.00 -1.25 -4.92 120.51 113.91 1f4h n ALA 81 Ca 0.19 0.11 -0.30 0.00 0.00 0.00 0.00 53.44 53.44 1f4h n ALA 81 Cb 0.29 -2.57 -0.02 0.00 0.00 0.00 0.00 19.45 17.14 1f4h n ALA 81 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1f4h s ASP 82 N 5.58 6.44 -0.08 0.00 -0.00 -0.88 -4.86 116.67 122.87 1f4h s ASP 82 Ca 0.98 1.28 -0.19 0.00 -0.00 0.00 0.00 52.55 54.63 1f4h s ASP 82 Cb -0.68 -2.39 -0.04 0.00 -0.00 0.00 0.00 42.92 39.80 1f4h s ASP 82 CO 0.49 -0.58 0.52 -0.89 -0.00 0.00 0.00 175.17 174.70 1f4h s THR 83 N -2.68 5.10 0.22 -1.27 2.01 -1.26 -1.62 115.64 116.14 1f4h s THR 83 Ca 0.53 1.05 0.01 0.00 0.31 0.00 0.00 61.69 63.60 1f4h s THR 83 Cb -0.10 -3.85 -0.05 0.00 0.01 0.00 0.00 72.50 68.51 1f4h s THR 83 CO 0.38 0.36 0.07 0.54 -0.69 0.00 0.00 174.62 175.29 1f4h s VAL 84 N 0.33 0.47 -0.01 3.82 0.11 0.77 -4.89 120.40 120.99 1f4h s VAL 84 Ca 0.28 -1.99 -0.12 0.00 -2.93 0.00 0.00 61.98 57.22 1f4h s VAL 84 Cb -0.16 -2.43 -0.05 0.00 -1.53 0.00 0.00 36.38 32.20 1f4h s VAL 84 CO 0.13 -0.16 0.35 -0.69 -3.33 0.00 0.00 175.10 171.40 1f4h s VAL 85 N -3.81 5.13 -0.05 2.04 1.01 -1.26 0.26 120.40 123.72 1f4h s VAL 85 Ca 0.33 0.66 0.02 0.00 0.00 0.00 0.00 61.98 62.99 1f4h s VAL 85 Cb 0.07 -3.64 0.01 0.00 0.00 0.00 0.00 36.38 32.82 1f4h s VAL 85 CO 0.10 0.55 -0.11 -0.69 0.00 0.00 0.00 175.10 174.95 1f4h s VAL 86 N -1.11 0.99 0.57 2.92 1.01 0.42 -3.86 120.40 121.34 1f4h s VAL 86 Ca 0.23 -0.42 -0.15 0.00 0.00 0.00 0.00 61.98 61.65 1f4h s VAL 86 Cb -0.15 -0.91 -0.05 0.00 0.00 0.00 0.00 36.38 35.27 1f4h s VAL 86 CO 0.12 0.32 1.02 -2.16 0.00 0.00 0.00 175.10 174.40 1f4h s PRO 87 N 0.54 3.65 -0.08 2.72 0.04 -1.26 0.60 135.00 141.22 1f4h s PRO 87 Ca -0.11 0.97 -0.32 0.00 0.04 0.00 0.00 61.00 61.58 1f4h s PRO 87 Cb -0.14 -2.09 0.13 0.00 0.04 0.00 0.00 34.50 32.44 1f4h s PRO 87 CO 0.02 -0.52 1.29 -1.54 0.04 0.00 0.00 177.00 176.29 1f4h s SER 88 N -3.30 -0.07 -0.21 6.66 1.04 -0.98 -4.98 113.70 111.86 1f4h s SER 88 Ca 0.59 -0.09 -0.05 0.00 0.48 0.00 0.00 55.95 56.88 1f4h s SER 88 Cb -0.12 0.14 -0.02 0.00 0.10 0.00 0.00 66.02 66.12 1f4h s SER 88 CO 0.39 -0.25 0.00 0.20 0.98 0.00 0.00 173.24 174.57 1f4h s ASN 89 N -2.74 4.77 0.57 7.02 -0.87 -1.26 -3.49 114.94 118.94 1f4h s ASN 89 Ca 0.13 -0.24 0.38 0.00 -1.57 0.00 0.00 52.86 51.55 1f4h s ASN 89 Cb 0.03 -1.82 1.97 0.00 -0.02 0.00 0.00 41.25 41.41 1f4h s ASN 89 CO -0.04 0.03 2.15 4.11 -2.57 0.00 0.00 177.10 180.78 1f4h h TRP 90 N 7.76 0.00 0.00 2.20 0.09 -1.24 0.27 115.95 125.03 1f4h h TRP 90 Ca -0.37 0.00 0.00 0.00 0.09 0.00 0.00 58.89 58.61 1f4h h TRP 90 Cb 1.17 0.00 0.00 0.00 0.08 0.00 0.00 29.16 30.41 1f4h h TRP 90 CO 0.60 0.00 0.00 1.96 0.09 0.00 0.00 178.44 181.09 1f4h h GLN 91 N 0.00 0.00 0.00 0.12 7.50 -1.79 -0.91 115.11 120.03 1f4h h GLN 91 Ca 0.00 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.15 1f4h h GLN 91 Cb 0.10 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.63 1f4h h GLN 91 CO 0.00 0.00 0.00 -1.33 -1.50 0.00 0.00 178.83 176.00 1f4h n MET 92 N -2.63 0.64 0.00 1.46 2.81 0.96 -2.71 117.12 117.66 1f4h n MET 92 Ca 0.02 0.02 0.02 0.00 -1.81 0.00 0.00 57.70 55.95 1f4h n MET 92 Cb 0.31 -1.50 0.02 0.00 -0.71 0.00 0.00 33.22 31.33 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 -1.13 0.00 -0.64 2.03 8.25 -0.36 -4.99 115.22 118.38 1f4h n HIS 93 Ca 0.17 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.63 1f4h n HIS 93 Cb 0.14 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.25 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 0.29 0.60 0.09 -1.41 0.00 -1.10 -4.97 105.19 98.68 1f4h n GLY 94 Ca 0.02 -0.70 -0.10 0.00 0.00 0.00 0.00 46.02 45.24 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 -0.07 -4.18 1.61 -1.99 -1.73 -3.48 116.97 107.13 1f4h h TYR 95 Ca 0.00 -0.00 -0.49 0.00 2.00 0.00 0.00 58.73 60.24 1f4h h TYR 95 Cb 0.00 0.02 -0.13 0.00 2.00 0.00 0.00 36.73 38.62 1f4h h TYR 95 CO 0.00 0.51 -0.50 0.16 -0.00 0.00 0.00 178.16 178.33 1f4h s ASP 96 N -5.80 1.98 0.38 3.88 1.47 -1.26 -5.06 116.67 112.26 1f4h s ASP 96 Ca -0.13 -1.73 -0.23 0.00 1.18 0.00 0.00 52.55 51.64 1f4h s ASP 96 Cb -0.01 0.55 -0.10 0.00 -0.34 0.00 0.00 42.92 43.01 1f4h s ASP 96 CO 0.49 -1.02 0.96 0.00 0.68 0.00 0.00 175.17 176.28 1f4h s ALA 97 N -3.40 3.11 -0.06 2.11 0.00 -1.26 -4.50 121.76 117.77 1f4h s ALA 97 Ca 0.35 0.48 -0.17 0.00 0.00 0.00 0.00 51.96 52.62 1f4h s ALA 97 Cb 0.02 -3.18 -0.05 0.00 0.00 0.00 0.00 23.12 19.92 1f4h s ALA 97 CO 0.23 0.12 0.46 -1.25 0.00 0.00 0.00 175.76 175.31 1f4h s PRO 98 N -2.65 4.19 -0.27 0.00 0.04 -1.26 -4.95 135.00 130.10 1f4h s PRO 98 Ca 0.57 0.46 -0.08 0.00 0.04 0.00 0.00 61.00 61.98 1f4h s PRO 98 Cb -0.14 -3.34 -0.02 0.00 0.04 0.00 0.00 34.50 31.03 1f4h s PRO 98 CO 0.19 0.39 0.09 0.42 0.04 0.00 0.00 177.00 178.13 1f4h s ILE 99 N -0.12 4.39 -0.70 0.56 1.01 -1.25 -4.69 121.20 120.41 1f4h s ILE 99 Ca 0.25 -0.25 -0.18 0.00 0.00 0.00 0.00 60.65 60.47 1f4h s ILE 99 Cb -0.16 -3.11 0.13 0.00 0.01 0.00 0.00 42.46 39.32 1f4h s ILE 99 CO 0.12 0.26 0.79 -0.47 0.00 0.00 0.00 174.94 175.64 1f4h s TYR 100 N 1.61 3.15 -0.02 3.97 5.04 -1.26 -0.65 117.35 129.20 1f4h s TYR 100 Ca 0.06 -1.22 0.05 0.00 -2.44 0.00 0.00 57.07 53.52 1f4h s TYR 100 Cb -0.16 -4.03 -0.01 0.00 0.35 0.00 0.00 41.96 38.11 1f4h s TYR 100 CO 0.04 -1.28 -0.18 -0.08 -1.34 0.00 0.00 175.55 172.72 1f4h s THR 101 N 2.24 1.42 0.00 4.34 -1.32 -1.26 -1.58 115.64 119.49 1f4h s THR 101 Ca 0.16 -0.76 0.00 0.00 -1.21 0.00 0.00 61.69 59.88 1f4h s THR 101 Cb -0.18 -1.19 0.00 0.00 -1.51 0.00 0.00 72.50 69.62 1f4h s THR 101 CO 0.01 0.40 0.02 -3.20 -2.21 0.00 0.00 174.62 169.64 1f4h n ASN 102 N 2.69 0.00 -0.06 8.08 4.05 -1.26 -3.91 115.26 124.84 1f4h n ASN 102 Ca -0.15 0.02 -0.03 0.00 0.45 0.00 0.00 54.58 54.87 1f4h n ASN 102 Cb 0.54 0.00 -0.01 0.00 1.23 0.00 0.00 39.78 41.54 1f4h n ASN 102 CO 0.00 0.00 0.00 0.58 -3.05 0.00 0.00 177.26 174.79 1f4h h VAL 103 N 0.00 0.04 -1.93 3.44 2.07 -1.92 -3.31 116.25 114.64 1f4h h VAL 103 Ca 0.00 -1.04 -0.64 0.00 0.82 0.00 0.00 66.70 65.84 1f4h h VAL 103 Cb 0.00 0.08 0.02 0.00 -1.52 0.00 0.00 31.29 29.87 1f4h h VAL 103 CO 0.00 0.01 1.05 0.41 0.02 0.00 0.00 177.57 179.06 1f4h n THR 104 N -4.69 0.50 -1.84 2.57 -1.04 -1.26 -3.66 114.28 104.87 1f4h n THR 104 Ca -0.04 -0.09 -0.41 0.00 -2.04 0.00 0.00 64.05 61.47 1f4h n THR 104 Cb 0.15 -1.72 -0.00 0.00 -1.82 0.00 0.00 70.33 66.94 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 3.87 2.62 0.46 -1.42 1.51 -1.26 -4.80 117.35 118.33 1f4h s TYR 105 Ca 0.94 1.21 0.13 0.00 -1.01 0.00 0.00 57.07 58.34 1f4h s TYR 105 Cb -0.78 -3.97 1.06 0.00 -0.11 0.00 0.00 41.96 38.16 1f4h s TYR 105 CO 0.54 -2.86 2.06 -1.00 -1.11 0.00 0.00 175.55 173.19 1f4h h PRO 106 N 2.95 0.14 -5.62 -1.71 0.13 -1.95 -3.44 132.00 122.51 1f4h h PRO 106 Ca -0.51 -0.02 -0.62 0.00 -0.87 0.00 0.00 66.00 63.99 1f4h h PRO 106 Cb 1.24 -0.03 -0.09 0.00 0.13 0.00 0.00 31.00 32.25 1f4h h PRO 106 CO 0.64 0.16 -0.42 0.96 -0.23 0.00 0.00 178.00 179.11 1f4h s ILE 107 N -5.01 1.55 -0.08 -3.56 -4.36 -1.26 -4.84 121.20 103.64 1f4h s ILE 107 Ca -0.05 -1.74 -0.28 0.00 -0.26 0.00 0.00 60.65 58.32 1f4h s ILE 107 Cb 0.17 -2.29 -0.02 0.00 1.25 0.00 0.00 42.46 41.56 1f4h s ILE 107 CO 0.70 0.00 0.91 -0.89 0.24 0.00 0.00 174.94 175.90 1f4h s THR 108 N -2.79 4.88 -0.45 8.37 2.01 -1.26 -4.98 115.64 121.41 1f4h s THR 108 Ca 0.23 1.86 -0.27 0.00 0.31 0.00 0.00 61.69 63.82 1f4h s THR 108 Cb 0.00 -4.23 -0.02 0.00 0.01 0.00 0.00 72.50 68.26 1f4h s THR 108 CO 0.14 0.10 1.87 -0.69 -0.69 0.00 0.00 174.62 175.34 1f4h s VAL 109 N 1.53 3.39 -0.46 3.82 1.01 -1.26 -4.81 120.40 123.62 1f4h s VAL 109 Ca 0.45 0.34 0.06 0.00 0.00 0.00 0.00 61.98 62.84 1f4h s VAL 109 Cb -0.19 -3.71 0.32 0.00 0.00 0.00 0.00 36.38 32.80 1f4h s VAL 109 CO 0.20 -0.58 1.10 -3.20 0.00 0.00 0.00 175.10 172.62 1f4h n ASN 110 N 11.68 -2.20 -4.71 3.32 5.15 -1.26 -5.07 115.26 122.16 1f4h n ASN 110 Ca 0.23 -3.67 -0.43 0.00 -0.60 0.00 0.00 54.58 50.11 1f4h n ASN 110 Cb 0.49 1.81 -0.02 0.00 -0.53 0.00 0.00 39.78 41.53 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 0.38 2.48 -1.27 1.20 -0.02 -1.26 0.37 135.00 136.88 1f4h n PRO 111 Ca 0.07 0.89 -0.25 0.00 -2.02 0.00 0.00 63.50 62.19 1f4h n PRO 111 Cb 0.70 -2.64 0.13 0.00 -0.02 0.00 0.00 33.50 31.66 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 2.49 2.48 -3.68 0.52 -0.04 -1.26 -5.10 135.00 130.40 1f4h n PRO 112 Ca 0.11 -3.26 -0.37 0.00 -0.04 0.00 0.00 63.50 59.94 1f4h n PRO 112 Cb 0.34 -2.17 -0.06 0.00 -0.04 0.00 0.00 33.50 31.58 1f4h n PRO 112 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1f4h s PHE 113 N -3.52 3.65 0.42 0.54 0.40 1.19 -4.41 117.98 116.24 1f4h s PHE 113 Ca 0.57 0.75 0.07 0.00 -0.60 0.00 0.00 56.93 57.73 1f4h s PHE 113 Cb 0.47 -2.11 -0.05 0.00 0.51 0.00 0.00 43.02 41.85 1f4h s PHE 113 CO 0.04 0.67 0.21 0.08 0.70 0.00 0.00 175.22 176.91 1f4h s VAL 114 N -1.11 2.33 0.57 -0.44 1.01 -1.26 -4.24 120.40 117.25 1f4h s VAL 114 Ca 0.22 -1.65 -0.16 0.00 0.00 0.00 0.00 61.98 60.38 1f4h s VAL 114 Cb -0.14 -2.98 -0.05 0.00 0.00 0.00 0.00 36.38 33.21 1f4h s VAL 114 CO 0.11 0.00 1.04 -2.84 0.00 0.00 0.00 175.10 173.41 1f4h s PRO 115 N -3.94 3.50 0.18 2.72 0.02 -1.26 -4.95 135.00 131.27 1f4h s PRO 115 Ca 0.42 1.18 -0.02 0.00 0.02 0.00 0.00 61.00 62.59 1f4h s PRO 115 Cb 0.03 -2.06 0.09 0.00 0.02 0.00 0.00 34.50 32.58 1f4h s PRO 115 CO 0.23 -0.66 1.46 1.79 -0.33 0.00 0.00 177.00 179.49 1f4h h THR 116 N 0.67 1.36 -1.13 0.99 1.35 -1.99 -3.34 112.91 110.82 1f4h h THR 116 Ca -0.47 -2.00 -0.55 0.00 -0.55 0.00 0.00 66.41 62.83 1f4h h THR 116 Cb 1.21 1.98 -0.09 0.00 -1.73 0.00 0.00 68.15 69.53 1f4h h THR 116 CO 0.58 0.61 1.37 -1.61 -0.25 0.00 0.00 175.52 176.22 1f4h s GLU 117 N -3.76 3.41 -0.50 4.72 8.01 -1.26 -4.61 118.70 124.71 1f4h s GLU 117 Ca -0.06 -0.94 0.03 0.00 0.01 0.00 0.00 54.97 54.01 1f4h s GLU 117 Cb 0.11 -5.25 0.15 0.00 -4.31 0.00 0.00 34.13 24.83 1f4h s GLU 117 CO 0.84 -2.38 0.31 1.21 0.01 0.00 0.00 175.26 175.25 1f4h s ASN 118 N 5.38 3.66 -0.36 -0.19 3.84 -0.28 -4.98 114.94 122.01 1f4h s ASN 118 Ca 0.49 -3.00 -0.03 0.00 0.21 0.00 0.00 52.86 50.52 1f4h s ASN 118 Cb -0.01 -1.14 -0.12 0.00 -0.55 0.00 0.00 41.25 39.42 1f4h s ASN 118 CO -0.07 -0.21 1.41 -2.65 -2.79 0.00 0.00 177.10 172.79 1f4h n PRO 119 N 3.05 0.00 -3.09 0.43 -0.02 -1.12 -3.66 135.00 130.59 1f4h n PRO 119 Ca 0.14 -0.01 -0.37 0.00 -2.02 0.00 0.00 63.50 61.23 1f4h n PRO 119 Cb 0.36 -1.02 -0.06 0.00 -0.02 0.00 0.00 33.50 32.76 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 0.11 4.53 -0.12 3.45 2.01 0.29 -3.43 115.64 122.49 1f4h s THR 120 Ca 0.47 1.40 0.03 0.00 0.31 0.00 0.00 61.69 63.90 1f4h s THR 120 Cb -0.30 -3.95 0.01 0.00 0.01 0.00 0.00 72.50 68.27 1f4h s THR 120 CO 0.20 0.34 -0.22 -0.83 -0.69 0.00 0.00 174.62 173.43 1f4h s GLY 121 N -1.44 1.29 -0.30 4.40 0.00 -0.83 0.14 107.32 110.58 1f4h s GLY 121 Ca 0.39 -0.97 -0.09 0.00 0.00 0.00 0.00 44.72 44.05 1f4h s GLY 121 CO 0.22 -0.13 0.14 0.00 0.00 0.00 0.00 173.10 173.33 1f4h s TYR 123 N 1.60 3.53 -0.01 0.00 1.51 -0.37 -1.65 117.35 121.96 1f4h s TYR 123 Ca 0.04 0.30 -0.06 0.00 -1.01 0.00 0.00 57.07 56.35 1f4h s TYR 123 Cb -0.17 -1.79 0.00 0.00 -0.11 0.00 0.00 41.96 39.89 1f4h s TYR 123 CO 0.06 0.62 0.12 -1.54 -1.11 0.00 0.00 175.55 173.70 1f4h s SER 124 N -2.20 0.01 -0.23 2.29 1.04 0.20 -0.81 113.70 114.00 1f4h s SER 124 Ca 0.31 -0.12 -0.16 0.00 0.48 0.00 0.00 55.95 56.46 1f4h s SER 124 Cb -0.13 0.22 0.07 0.00 0.10 0.00 0.00 66.02 66.27 1f4h s SER 124 CO 0.23 -0.29 0.58 -0.22 0.98 0.00 0.00 173.24 174.52 1f4h s LEU 125 N -1.05 -0.47 -0.18 2.42 2.96 -0.32 -1.96 118.68 120.08 1f4h s LEU 125 Ca -0.11 1.23 -0.03 0.00 -0.22 0.00 0.00 54.13 55.00 1f4h s LEU 125 Cb -0.06 1.98 -0.02 0.00 0.50 0.00 0.00 46.19 48.59 1f4h s LEU 125 CO 0.01 -0.22 -0.05 -0.89 -1.32 0.00 0.00 176.35 173.89 1f4h s THR 126 N 1.10 3.62 0.08 3.68 2.01 -1.25 0.11 115.64 124.98 1f4h s THR 126 Ca -0.06 -0.44 -0.13 0.00 0.31 0.00 0.00 61.69 61.38 1f4h s THR 126 Cb -0.06 -2.60 0.02 0.00 0.01 0.00 0.00 72.50 69.87 1f4h s THR 126 CO -0.11 0.46 0.29 0.72 -0.69 0.00 0.00 174.62 175.30 1f4h s PHE 127 N 0.80 -0.04 -0.10 4.92 -0.12 0.15 -4.95 117.98 118.65 1f4h s PHE 127 Ca -0.01 -0.25 -0.01 0.00 -0.05 0.00 0.00 56.93 56.60 1f4h s PHE 127 Cb -0.15 0.08 -0.03 0.00 -0.63 0.00 0.00 43.02 42.30 1f4h s PHE 127 CO 0.02 -0.57 -0.04 -0.80 -0.05 0.00 0.00 175.22 173.78 1f4h s ASN 128 N -2.53 4.88 0.02 1.98 -0.87 -1.25 0.15 114.94 117.32 1f4h s ASN 128 Ca 0.01 0.00 -0.00 0.00 -1.57 0.00 0.00 52.86 51.30 1f4h s ASN 128 Cb 0.02 -1.44 -0.04 0.00 -0.02 0.00 0.00 41.25 39.77 1f4h s ASN 128 CO -0.08 0.31 0.13 -0.69 -2.57 0.00 0.00 177.10 174.20 1f4h s VAL 129 N -0.51 5.00 0.80 1.60 1.01 0.69 -4.93 120.40 124.06 1f4h s VAL 129 Ca 0.08 -0.42 -0.12 0.00 0.00 0.00 0.00 61.98 61.52 1f4h s VAL 129 Cb -0.12 -3.36 0.08 0.00 0.00 0.00 0.00 36.38 32.98 1f4h s VAL 129 CO 0.02 0.25 1.16 -0.62 0.00 0.00 0.00 175.10 175.92 1f4h s ASP 130 N -2.08 3.84 0.21 3.32 -1.08 -1.26 -3.28 116.67 116.34 1f4h s ASP 130 Ca 0.28 2.19 0.10 0.00 -0.52 0.00 0.00 52.55 54.60 1f4h s ASP 130 Cb -0.12 -2.57 0.06 0.00 -1.46 0.00 0.00 42.92 38.83 1f4h s ASP 130 CO 0.20 -2.49 1.43 1.05 0.52 0.00 0.00 175.17 175.88 1f4h h GLU 131 N -0.99 0.00 -0.61 4.34 4.11 -1.98 -3.15 114.58 116.30 1f4h h GLU 131 Ca -0.45 0.00 0.14 0.00 0.07 0.00 0.00 59.36 59.11 1f4h h GLU 131 Cb 1.27 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.49 1f4h h GLU 131 CO 0.47 0.76 0.42 0.66 0.07 0.00 0.00 179.01 181.39 1f4h h SER 132 N 0.00 0.22 0.18 3.06 4.64 -1.99 -2.10 113.55 117.56 1f4h h SER 132 Ca -0.01 0.01 -0.08 0.00 -0.47 0.00 0.00 61.79 61.25 1f4h h SER 132 Cb 1.46 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 63.50 1f4h h SER 132 CO 0.10 0.12 -0.29 -0.50 -0.87 0.00 0.00 176.83 175.39 1f4h h TRP 133 N 0.23 0.19 -0.00 4.77 4.06 -1.84 -2.72 115.95 120.65 1f4h h TRP 133 Ca 0.29 -0.04 0.00 0.00 2.06 0.00 0.00 58.89 61.21 1f4h h TRP 133 Cb 0.83 -0.05 0.00 0.00 -1.00 0.00 0.00 29.16 28.94 1f4h h TRP 133 CO -0.00 0.45 -0.45 1.47 -3.56 0.00 0.00 178.44 176.35 1f4h n LEU 134 N -4.15 0.52 0.03 -4.49 -0.00 -0.81 -4.32 117.00 103.78 1f4h n LEU 134 Ca -0.01 0.00 -0.01 0.00 -0.00 0.00 0.00 56.01 55.99 1f4h n LEU 134 Cb 0.37 -0.25 -0.01 0.00 -0.00 0.00 0.00 43.42 43.54 1f4h n LEU 134 CO 0.39 0.12 0.37 1.56 -0.00 0.00 0.00 177.39 179.84 1f4h h GLN 135 N 0.12 -0.07 0.00 1.47 1.08 -1.22 -3.47 115.11 113.01 1f4h h GLN 135 Ca 0.00 0.00 -0.25 0.00 -1.45 0.00 0.00 58.65 56.96 1f4h h GLN 135 Cb 0.50 0.02 -0.04 0.00 -0.05 0.00 0.00 27.48 27.90 1f4h h GLN 135 CO 0.00 -0.05 -0.17 0.39 -0.95 0.00 0.00 178.83 178.05 1f4h n GLU 136 N -2.25 1.49 -1.45 1.46 -0.58 -1.25 -5.11 120.64 112.95 1f4h n GLU 136 Ca -0.01 -1.39 0.20 0.00 -0.42 0.00 0.00 57.16 55.54 1f4h n GLU 136 Cb 0.03 0.35 -0.05 0.00 -0.57 0.00 0.00 31.44 31.19 1f4h n GLU 136 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1f4h n GLY 137 N 2.68 -1.99 3.64 0.62 0.00 -1.26 -4.75 105.19 104.14 1f4h n GLY 137 Ca -0.07 -1.15 -0.30 0.00 0.00 0.00 0.00 46.02 44.50 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 -2.36 2.43 -0.27 1.61 0.74 0.44 -4.77 119.66 117.48 1f4h s GLN 138 Ca 0.00 -0.87 0.01 0.00 0.05 0.00 0.00 55.36 54.55 1f4h s GLN 138 Cb 0.00 -2.47 0.07 0.00 1.10 0.00 0.00 33.01 31.71 1f4h s GLN 138 CO 0.00 0.54 -0.01 0.99 -0.55 0.00 0.00 175.29 176.26 1f4h s THR 139 N -1.24 1.62 0.29 -0.34 2.01 -1.26 -0.67 115.64 116.06 1f4h s THR 139 Ca 0.23 -1.50 0.08 0.00 0.31 0.00 0.00 61.69 60.81 1f4h s THR 139 Cb -0.11 -1.99 -0.04 0.00 0.01 0.00 0.00 72.50 70.37 1f4h s THR 139 CO 0.15 -0.28 0.13 -0.60 -0.69 0.00 0.00 174.62 173.33 1f4h s ARG 140 N 1.31 2.55 0.07 4.92 3.52 0.13 0.12 118.95 131.56 1f4h s ARG 140 Ca -0.00 -1.33 0.08 0.00 -0.13 0.00 0.00 55.73 54.34 1f4h s ARG 140 Cb -0.19 -2.32 -0.03 0.00 -1.56 0.00 0.00 34.95 30.85 1f4h s ARG 140 CO -0.09 0.27 -0.22 -1.50 -0.81 0.00 0.00 175.30 172.94 1f4h s ILE 141 N -2.30 1.77 -0.06 4.11 2.07 0.27 -1.10 121.20 125.97 1f4h s ILE 141 Ca 0.35 -1.36 0.03 0.00 -1.41 0.00 0.00 60.65 58.26 1f4h s ILE 141 Cb -0.06 -1.56 0.00 0.00 0.13 0.00 0.00 42.46 40.98 1f4h s ILE 141 CO 0.23 0.14 -0.15 -0.63 -1.91 0.00 0.00 174.94 172.61 1f4h s ILE 142 N -0.93 1.34 -0.27 2.00 1.01 0.30 -0.86 121.20 123.79 1f4h s ILE 142 Ca 0.08 -0.63 -0.02 0.00 0.00 0.00 0.00 60.65 60.09 1f4h s ILE 142 Cb -0.09 -1.18 0.04 0.00 0.01 0.00 0.00 42.46 41.23 1f4h s ILE 142 CO 0.03 0.39 -0.03 -0.36 0.00 0.00 0.00 174.94 174.97 1f4h s PHE 143 N 0.36 3.17 -1.00 3.97 0.40 0.44 -1.28 117.98 124.03 1f4h s PHE 143 Ca -0.10 -1.72 0.19 0.00 -0.60 0.00 0.00 56.93 54.70 1f4h s PHE 143 Cb -0.14 -2.08 0.83 0.00 0.51 0.00 0.00 43.02 42.14 1f4h s PHE 143 CO 0.04 -0.77 1.62 -0.25 0.70 0.00 0.00 175.22 176.56 1f4h n ASP 144 N 4.64 0.00 0.00 1.36 8.00 0.43 0.12 116.55 131.10 1f4h n ASP 144 Ca -0.15 0.50 0.00 0.00 0.71 0.00 0.00 54.79 55.85 1f4h n ASP 144 Cb 0.45 -0.50 0.00 0.00 -0.02 0.00 0.00 41.12 41.05 1f4h n ASP 144 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1f4h n GLY 145 N 0.51 2.26 2.63 0.44 0.00 -1.26 -4.08 105.19 105.68 1f4h n GLY 145 Ca 0.05 0.21 -0.25 0.00 0.00 0.00 0.00 46.02 46.04 1f4h n GLY 145 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1f4h s VAL 146 N 0.00 -0.09 -0.26 1.61 1.01 -1.24 -2.69 120.40 118.74 1f4h s VAL 146 Ca 0.00 -0.03 -0.10 0.00 0.00 0.00 0.00 61.98 61.86 1f4h s VAL 146 Cb 0.00 -0.48 -0.04 0.00 0.00 0.00 0.00 36.38 35.86 1f4h s VAL 146 CO 0.00 -0.17 0.15 0.21 0.00 0.00 0.00 175.10 175.29 1f4h s ASN 147 N 2.14 5.76 -0.23 3.32 3.84 -0.31 -3.95 114.94 125.52 1f4h s ASN 147 Ca 0.03 -0.05 0.06 0.00 0.21 0.00 0.00 52.86 53.11 1f4h s ASN 147 Cb -0.15 -2.06 -0.20 0.00 -0.55 0.00 0.00 41.25 38.29 1f4h s ASN 147 CO -0.08 -0.02 -0.09 -1.54 -2.79 0.00 0.00 177.10 172.58 1f4h n SER 148 N 4.87 1.43 -3.95 -4.21 3.41 -0.84 -0.58 113.62 113.75 1f4h n SER 148 Ca -0.15 -0.07 -0.09 0.00 -0.26 0.00 0.00 58.87 58.30 1f4h n SER 148 Cb 0.52 -0.05 -0.07 0.00 -0.26 0.00 0.00 64.21 64.34 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 -2.52 0.04 0.15 7.33 0.00 -1.14 -3.88 121.76 121.73 1f4h s ALA 149 Ca -0.27 -0.88 -0.25 0.00 0.00 0.00 0.00 51.96 50.57 1f4h s ALA 149 Cb 0.08 0.75 0.06 0.00 0.00 0.00 0.00 23.12 24.02 1f4h s ALA 149 CO 0.68 -0.59 0.87 -0.59 0.00 0.00 0.00 175.76 176.13 1f4h s PHE 150 N -3.95 -0.22 0.28 0.00 -0.12 -1.02 0.61 117.98 113.57 1f4h s PHE 150 Ca 0.14 -0.08 0.11 0.00 -0.05 0.00 0.00 56.93 57.05 1f4h s PHE 150 Cb 0.04 0.63 -0.05 0.00 -0.63 0.00 0.00 43.02 43.01 1f4h s PHE 150 CO -0.03 -0.85 -0.09 -1.01 -0.05 0.00 0.00 175.22 173.19 1f4h s HIS 151 N -3.41 2.49 -0.04 3.49 3.76 -0.88 -2.63 115.29 118.07 1f4h s HIS 151 Ca 0.10 -0.30 -0.13 0.00 -0.15 0.00 0.00 55.06 54.58 1f4h s HIS 151 Cb -0.02 -1.13 0.02 0.00 1.11 0.00 0.00 32.58 32.56 1f4h s HIS 151 CO -0.00 0.65 0.29 -1.17 -0.85 0.00 0.00 174.74 173.66 1f4h s LEU 152 N -3.60 0.92 0.01 0.89 2.96 0.20 -1.50 118.68 118.56 1f4h s LEU 152 Ca 0.31 0.20 -0.01 0.00 -0.22 0.00 0.00 54.13 54.41 1f4h s LEU 152 Cb -0.05 1.15 -0.01 0.00 0.50 0.00 0.00 46.19 47.78 1f4h s LEU 152 CO 0.18 -0.35 -0.00 0.26 -1.32 0.00 0.00 176.35 175.12 1f4h s TRP 153 N -0.94 0.13 -0.05 5.38 0.51 0.16 0.18 118.94 124.31 1f4h s TRP 153 Ca -0.10 -0.27 0.01 0.00 -2.12 0.00 0.00 56.10 53.62 1f4h s TRP 153 Cb -0.05 -0.10 0.02 0.00 -0.81 0.00 0.00 33.47 32.53 1f4h s TRP 153 CO 0.03 -0.12 -0.06 0.00 -0.51 0.00 0.00 176.95 176.29 1f4h n ASN 155 N 4.08 -0.84 0.00 0.00 3.02 -0.30 -0.51 115.26 120.70 1f4h n ASN 155 Ca -0.23 -0.93 0.00 0.00 -0.03 0.00 0.00 54.58 53.39 1f4h n ASN 155 Cb 0.51 -3.49 0.00 0.00 -0.61 0.00 0.00 39.78 36.19 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 2.15 3.89 7.41 0.00 -1.25 -4.98 105.19 110.61 1f4h n GLY 156 Ca -0.30 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.38 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 0.00 3.54 0.22 1.61 0.52 0.33 -4.93 118.95 120.24 1f4h s ARG 157 Ca 0.00 -0.16 -0.30 0.00 -0.52 0.00 0.00 55.73 54.75 1f4h s ARG 157 Cb 0.00 -3.06 -0.09 0.00 0.52 0.00 0.00 34.95 32.32 1f4h s ARG 157 CO 0.00 0.64 1.20 -0.46 0.02 0.00 0.00 175.30 176.69 1f4h s TRP 158 N -1.35 3.41 -0.14 -0.53 -0.00 -1.26 0.17 118.94 119.23 1f4h s TRP 158 Ca 0.29 1.46 -0.08 0.00 -0.00 0.00 0.00 56.10 57.78 1f4h s TRP 158 Cb -0.13 -3.44 -0.06 0.00 -0.00 0.00 0.00 33.47 29.84 1f4h s TRP 158 CO 0.18 -1.19 -0.19 0.28 -0.00 0.00 0.00 176.95 176.03 1f4h n VAL 159 N 2.05 0.87 -1.29 5.86 0.31 0.47 -4.84 118.33 121.76 1f4h n VAL 159 Ca 0.03 -0.17 0.00 0.00 -0.01 0.00 0.00 64.34 64.19 1f4h n VAL 159 Cb 0.44 -1.73 0.00 0.00 -0.91 0.00 0.00 33.84 31.64 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 2.09 -1.19 3.13 2.92 0.00 -1.16 -4.74 105.19 106.23 1f4h n GLY 160 Ca -0.28 -0.94 -0.09 0.00 0.00 0.00 0.00 46.02 44.72 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 -2.42 0.73 -0.27 1.61 5.04 -0.58 -0.63 117.35 120.82 1f4h s TYR 161 Ca 0.00 -1.01 -0.26 0.00 -2.44 0.00 0.00 57.07 53.36 1f4h s TYR 161 Cb 0.00 -0.46 0.13 0.00 0.35 0.00 0.00 41.96 41.98 1f4h s TYR 161 CO 0.00 -0.29 1.09 0.20 -1.34 0.00 0.00 175.55 175.22 1f4h s GLY 162 N -2.99 -0.09 0.45 8.97 0.00 -1.08 -0.80 107.32 111.79 1f4h s GLY 162 Ca 0.11 2.74 0.06 0.00 0.00 0.00 0.00 44.72 47.62 1f4h s GLY 162 CO -0.06 1.76 0.12 1.20 0.00 0.00 0.00 173.10 176.12 1f4h s GLN 163 N 0.05 2.15 0.00 2.90 -0.21 0.11 -2.43 119.66 122.24 1f4h s GLN 163 Ca 0.03 -2.06 0.00 0.00 0.02 0.00 0.00 55.36 53.36 1f4h s GLN 163 Cb -0.04 -1.81 0.00 0.00 1.00 0.00 0.00 33.01 32.16 1f4h s GLN 163 CO -0.07 -0.21 0.00 -3.47 -2.12 0.00 0.00 175.29 169.42 1f4h n ASP 164 N -1.23 -2.00 0.29 5.90 2.03 -1.25 -4.95 116.55 115.35 1f4h n ASP 164 Ca -0.06 0.00 0.19 0.00 0.52 0.00 0.00 54.79 55.44 1f4h n ASP 164 Cb 0.66 -1.00 0.90 0.00 -0.72 0.00 0.00 41.12 40.96 1f4h n ASP 164 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 1f4h h SER 165 N 0.00 0.00 0.05 1.67 0.02 -1.73 -3.27 113.55 110.29 1f4h h SER 165 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1f4h h SER 165 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1f4h h SER 165 CO 0.00 0.00 -1.14 -2.11 -1.14 0.00 0.00 176.83 172.44 1f4h n ARG 166 N -3.02 0.12 -4.27 3.45 0.00 -1.26 -3.70 116.66 107.97 1f4h n ARG 166 Ca -0.01 -0.03 -0.26 0.00 -0.00 0.00 0.00 57.85 57.55 1f4h n ARG 166 Cb 0.20 -1.51 -0.09 0.00 -0.00 0.00 0.00 32.46 31.06 1f4h n ARG 166 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 1f4h s LEU 167 N -3.30 3.07 0.50 2.89 1.43 -1.23 -4.66 118.68 117.38 1f4h s LEU 167 Ca 0.05 -0.55 -0.22 0.00 -1.03 0.00 0.00 54.13 52.39 1f4h s LEU 167 Cb 0.16 -1.73 -0.06 0.00 0.03 0.00 0.00 46.19 44.59 1f4h s LEU 167 CO 0.86 0.09 1.21 -2.84 0.23 0.00 0.00 176.35 175.90 1f4h s PRO 168 N -2.95 3.50 -0.07 1.29 0.02 -1.25 -4.38 135.00 131.16 1f4h s PRO 168 Ca 0.26 1.87 0.04 0.00 0.02 0.00 0.00 61.00 63.20 1f4h s PRO 168 Cb -0.09 -2.29 -0.00 0.00 0.02 0.00 0.00 34.50 32.15 1f4h s PRO 168 CO 0.16 -0.80 -0.21 -1.54 -0.33 0.00 0.00 177.00 174.29 1f4h s SER 169 N -1.33 2.62 -0.06 2.53 1.04 0.12 -4.93 113.70 113.69 1f4h s SER 169 Ca 0.68 -0.45 0.02 0.00 0.48 0.00 0.00 55.95 56.68 1f4h s SER 169 Cb -0.31 -0.95 0.01 0.00 0.10 0.00 0.00 66.02 64.87 1f4h s SER 169 CO 0.37 0.16 -0.12 -1.61 0.98 0.00 0.00 173.24 173.01 1f4h s GLU 170 N 0.18 1.68 0.19 4.02 2.02 -1.26 -0.42 118.70 125.11 1f4h s GLU 170 Ca -0.10 -0.42 0.11 0.00 0.02 0.00 0.00 54.97 54.58 1f4h s GLU 170 Cb -0.15 -1.39 -0.04 0.00 0.10 0.00 0.00 34.13 32.64 1f4h s GLU 170 CO 0.05 0.04 -0.24 -0.06 0.02 0.00 0.00 175.26 175.07 1f4h s PHE 171 N 0.62 2.28 -0.47 1.61 0.40 -0.04 -1.58 117.98 120.80 1f4h s PHE 171 Ca -0.14 -0.36 -0.20 0.00 -0.60 0.00 0.00 56.93 55.63 1f4h s PHE 171 Cb -0.15 -1.13 0.04 0.00 0.51 0.00 0.00 43.02 42.28 1f4h s PHE 171 CO 0.04 0.49 0.65 0.34 0.70 0.00 0.00 175.22 177.43 1f4h s ASP 172 N -2.66 6.28 0.12 1.36 -1.08 -1.26 0.95 116.67 120.37 1f4h s ASP 172 Ca 0.20 -0.58 0.25 0.00 -0.52 0.00 0.00 52.55 51.91 1f4h s ASP 172 Cb -0.08 -2.31 0.58 0.00 -1.46 0.00 0.00 42.92 39.65 1f4h s ASP 172 CO 0.10 -0.85 1.51 0.18 0.52 0.00 0.00 175.17 176.64 1f4h n LEU 173 N 6.28 0.63 -0.09 -1.34 4.77 0.31 -4.52 117.00 123.05 1f4h n LEU 173 Ca -0.04 0.32 -0.02 0.00 -0.03 0.00 0.00 56.01 56.24 1f4h n LEU 173 Cb 0.47 -0.26 -0.01 0.00 -2.33 0.00 0.00 43.42 41.29 1f4h n LEU 173 CO 0.54 -0.06 0.11 -1.20 -1.33 0.00 0.00 177.39 175.45 1f4h n SER 174 N -2.01 -0.19 -1.43 -1.43 7.64 0.57 -0.33 113.62 116.44 1f4h n SER 174 Ca 0.05 0.37 0.03 0.00 1.01 0.00 0.00 58.87 60.32 1f4h n SER 174 Cb 0.41 -0.06 0.25 0.00 -1.01 0.00 0.00 64.21 63.81 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 -3.86 3.48 0.00 -0.43 0.00 -1.26 -4.27 120.51 114.17 1f4h n ALA 175 Ca 0.01 -1.28 0.00 0.00 0.00 0.00 0.00 53.44 52.17 1f4h n ALA 175 Cb 0.06 -1.10 0.00 0.00 0.00 0.00 0.00 19.45 18.41 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 0.33 0.00 -3.22 0.00 3.01 0.55 -5.04 117.46 113.10 1f4h n PHE 176 Ca 0.19 0.00 -0.34 0.00 1.01 0.00 0.00 57.45 58.32 1f4h n PHE 176 Cb 0.89 0.00 -0.06 0.00 -0.01 0.00 0.00 39.48 40.30 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 -1.83 4.19 0.53 4.37 1.43 -1.20 -4.65 118.68 121.51 1f4h s LEU 177 Ca 0.00 1.21 0.07 0.00 -1.03 0.00 0.00 54.13 54.38 1f4h s LEU 177 Cb 0.00 -3.77 0.04 0.00 0.03 0.00 0.00 46.19 42.49 1f4h s LEU 177 CO 0.00 -0.08 0.48 -0.13 0.23 0.00 0.00 176.35 176.85 1f4h s ARG 178 N -2.57 2.30 0.31 1.70 0.52 -1.26 -5.05 118.95 114.90 1f4h s ARG 178 Ca 0.48 -1.87 -0.24 0.00 -0.52 0.00 0.00 55.73 53.58 1f4h s ARG 178 Cb -0.13 -2.26 -0.10 0.00 0.52 0.00 0.00 34.95 32.99 1f4h s ARG 178 CO 0.19 -0.61 0.89 0.00 0.02 0.00 0.00 175.30 175.79 1f4h s ALA 179 N -2.71 3.25 0.00 2.13 0.00 -1.26 -4.69 121.76 118.48 1f4h s ALA 179 Ca 0.42 0.41 0.00 0.00 0.00 0.00 0.00 51.96 52.80 1f4h s ALA 179 Cb -0.03 -3.08 0.00 0.00 0.00 0.00 0.00 23.12 20.01 1f4h s ALA 179 CO 0.26 0.21 0.00 0.41 0.00 0.00 0.00 175.76 176.64 1f4h n GLY 180 N 0.48 2.65 3.66 0.00 0.00 -1.20 -4.83 105.19 105.95 1f4h n GLY 180 Ca 0.01 -0.32 -0.42 0.00 0.00 0.00 0.00 46.02 45.29 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 4.15 0.10 1.61 2.12 -1.26 -0.22 118.70 125.20 1f4h s GLU 181 Ca 0.00 2.09 0.06 0.00 0.36 0.00 0.00 54.97 57.49 1f4h s GLU 181 Cb 0.00 -3.97 -0.03 0.00 0.26 0.00 0.00 34.13 30.38 1f4h s GLU 181 CO 0.00 -0.88 -0.16 -0.80 -0.54 0.00 0.00 175.26 172.88 1f4h s ASN 182 N 3.32 2.07 -0.05 -1.70 0.01 0.39 -4.75 114.94 114.23 1f4h s ASN 182 Ca 0.72 -0.73 0.03 0.00 -0.71 0.00 0.00 52.86 52.17 1f4h s ASN 182 Cb -0.31 -0.08 0.01 0.00 0.41 0.00 0.00 41.25 41.27 1f4h s ASN 182 CO 0.28 -0.07 -0.12 -0.60 -1.51 0.00 0.00 177.10 175.08 1f4h s ARG 183 N -2.22 1.43 -0.12 -0.60 3.52 -1.25 0.32 118.95 120.02 1f4h s ARG 183 Ca 0.05 -0.41 -0.04 0.00 -0.13 0.00 0.00 55.73 55.20 1f4h s ARG 183 Cb -0.08 -1.24 -0.04 0.00 -1.56 0.00 0.00 34.95 32.04 1f4h s ARG 183 CO 0.03 0.10 0.04 -0.51 -0.81 0.00 0.00 175.30 174.15 1f4h s LEU 184 N 0.37 3.75 -0.25 -0.88 1.43 0.30 -1.15 118.68 122.25 1f4h s LEU 184 Ca -0.08 0.15 -0.01 0.00 -1.03 0.00 0.00 54.13 53.17 1f4h s LEU 184 Cb -0.12 -1.90 0.07 0.00 0.03 0.00 0.00 46.19 44.27 1f4h s LEU 184 CO 0.02 0.31 0.02 0.00 0.23 0.00 0.00 176.35 176.93 1f4h s ALA 185 N -0.44 1.55 -0.31 4.21 0.00 -0.59 -1.17 121.76 125.01 1f4h s ALA 185 Ca 0.09 -1.26 -0.05 0.00 0.00 0.00 0.00 51.96 50.74 1f4h s ALA 185 Cb -0.12 -1.42 0.03 0.00 0.00 0.00 0.00 23.12 21.61 1f4h s ALA 185 CO 0.02 -1.34 0.05 0.08 0.00 0.00 0.00 175.76 174.57 1f4h s VAL 186 N 1.60 3.51 -1.13 0.00 1.01 0.01 -0.67 120.40 124.72 1f4h s VAL 186 Ca 0.01 -1.07 -0.09 0.00 0.00 0.00 0.00 61.98 60.83 1f4h s VAL 186 Cb -0.18 -2.92 0.27 0.00 0.00 0.00 0.00 36.38 33.55 1f4h s VAL 186 CO -0.12 -0.04 1.22 1.15 0.00 0.00 0.00 175.10 177.31 1f4h n MET 187 N 4.76 3.65 -2.28 2.72 0.00 -0.56 -1.23 117.12 124.16 1f4h n MET 187 Ca -0.14 -4.37 -0.43 0.00 0.00 0.00 0.00 57.70 52.76 1f4h n MET 187 Cb 0.45 -2.62 -0.02 0.00 0.00 0.00 0.00 33.22 31.03 1f4h n MET 187 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 175.97 176.05 1f4h s VAL 188 N -1.08 3.95 0.15 3.17 1.01 -1.12 -2.08 120.40 124.41 1f4h s VAL 188 Ca 0.33 1.08 -0.13 0.00 0.00 0.00 0.00 61.98 63.26 1f4h s VAL 188 Cb -0.07 -3.94 -0.07 0.00 0.00 0.00 0.00 36.38 32.30 1f4h s VAL 188 CO -0.04 -0.37 0.53 -0.76 0.00 0.00 0.00 175.10 174.45 1f4h s LEU 189 N 4.65 4.31 -0.07 3.92 1.02 0.20 -1.96 118.68 130.76 1f4h s LEU 189 Ca 0.63 1.01 -0.27 0.00 0.02 0.00 0.00 54.13 55.52 1f4h s LEU 189 Cb -0.21 -3.30 -0.23 0.00 0.02 0.00 0.00 46.19 42.48 1f4h s LEU 189 CO 0.25 0.08 1.06 -0.09 0.02 0.00 0.00 176.35 177.68 1f4h h ARG 190 N 3.41 0.03 -6.46 1.70 2.43 -1.81 -2.21 114.38 111.48 1f4h h ARG 190 Ca -0.48 -0.02 -0.68 0.00 -0.81 0.00 0.00 59.98 57.98 1f4h h ARG 190 Cb 1.19 0.01 -0.19 0.00 -0.42 0.00 0.00 29.97 30.55 1f4h h ARG 190 CO 0.66 0.73 -0.76 -1.58 -1.51 0.00 0.00 179.97 177.51 1f4h s TRP 191 N -3.39 2.71 0.21 2.20 0.23 -1.26 -3.61 118.94 116.03 1f4h s TRP 191 Ca -0.17 -0.16 0.01 0.00 -2.03 0.00 0.00 56.10 53.76 1f4h s TRP 191 Cb -0.00 -1.52 -0.00 0.00 0.03 0.00 0.00 33.47 31.98 1f4h s TRP 191 CO 0.69 0.32 0.25 -1.13 0.96 0.00 0.00 176.95 178.04 1f4h n SER 192 N 1.44 -0.67 0.29 2.95 3.41 -1.26 -4.93 113.62 114.85 1f4h n SER 192 Ca -0.15 -2.26 0.19 0.00 -0.26 0.00 0.00 58.87 56.38 1f4h n SER 192 Cb 0.52 1.35 0.84 0.00 -0.26 0.00 0.00 64.21 66.66 1f4h n SER 192 CO 0.00 0.00 0.00 -2.24 -0.16 0.00 0.00 175.04 172.64 1f4h h ASP 193 N 1.25 0.00 0.65 4.04 3.04 -0.02 -0.91 116.42 124.47 1f4h h ASP 193 Ca -0.16 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.63 1f4h h ASP 193 Cb 0.74 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.03 1f4h h ASP 193 CO 0.22 0.00 0.00 0.61 -2.04 0.00 0.00 179.24 178.03 1f4h n GLY 194 N -0.29 -1.17 0.11 7.15 0.00 -1.26 -2.96 105.19 106.77 1f4h n GLY 194 Ca -0.00 -0.08 -0.07 0.00 0.00 0.00 0.00 46.02 45.87 1f4h n GLY 194 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1f4h h SER 195 N 0.00 0.13 0.00 1.61 0.02 -1.54 -2.41 113.55 111.36 1f4h h SER 195 Ca 0.00 -0.11 0.00 0.00 -0.84 0.00 0.00 61.79 60.84 1f4h h SER 195 Cb 0.32 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.82 1f4h h SER 195 CO 0.00 0.93 0.00 1.88 -1.14 0.00 0.00 176.83 178.50 1f4h h TYR 196 N 0.05 0.00 -0.23 3.45 -1.99 -1.67 -0.33 116.97 116.25 1f4h h TYR 196 Ca -0.03 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.70 1f4h h TYR 196 Cb 1.51 0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.24 1f4h h TYR 196 CO 0.02 0.00 0.00 1.28 -0.00 0.00 0.00 178.16 179.46 1f4h n LEU 197 N -2.62 2.66 -3.00 3.88 4.77 -0.92 -4.49 117.00 117.29 1f4h n LEU 197 Ca -0.02 -1.54 -0.23 0.00 -0.03 0.00 0.00 56.01 54.19 1f4h n LEU 197 Cb 0.05 -0.15 -0.03 0.00 -2.33 0.00 0.00 43.42 40.96 1f4h n LEU 197 CO 0.14 0.60 0.00 -0.62 -1.33 0.00 0.00 177.39 176.18 1f4h n GLU 198 N 0.74 2.33 -1.53 3.23 1.02 -0.13 -0.34 120.64 125.96 1f4h n GLU 198 Ca 0.11 -4.24 -0.34 0.00 -0.02 0.00 0.00 57.16 52.67 1f4h n GLU 198 Cb 0.40 -2.01 0.04 0.00 -0.02 0.00 0.00 31.44 29.86 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 -0.06 7.35 -4.78 1.62 2.03 0.17 -4.97 116.55 117.91 1f4h n ASP 199 Ca 0.28 -3.65 -0.35 0.00 0.52 0.00 0.00 54.79 51.59 1f4h n ASP 199 Cb 0.52 -1.06 -0.01 0.00 -0.72 0.00 0.00 41.12 39.85 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 -3.43 3.50 -1.03 -0.67 1.11 -1.26 -4.50 119.66 113.38 1f4h s GLN 200 Ca 0.55 1.58 -0.24 0.00 0.01 0.00 0.00 55.36 57.26 1f4h s GLN 200 Cb 0.44 -2.07 -0.11 0.00 -1.01 0.00 0.00 33.01 30.26 1f4h s GLN 200 CO -0.20 -0.72 2.04 0.34 0.01 0.00 0.00 175.29 176.76 1f4h s ASP 201 N -1.77 4.60 0.11 5.90 2.15 -1.25 -4.81 116.67 121.59 1f4h s ASP 201 Ca 0.71 -1.02 -0.26 0.00 0.43 0.00 0.00 52.55 52.40 1f4h s ASP 201 Cb -0.23 -2.58 0.08 0.00 -0.30 0.00 0.00 42.92 39.90 1f4h s ASP 201 CO 0.26 -3.42 1.06 0.00 -0.17 0.00 0.00 175.17 172.90 1f4h s MET 202 N 7.33 0.97 0.33 4.34 0.23 -1.25 -4.99 119.30 126.26 1f4h s MET 202 Ca 0.75 -0.54 -0.29 0.00 -1.03 0.00 0.00 55.69 54.58 1f4h s MET 202 Cb -0.05 0.33 -0.11 0.00 -1.53 0.00 0.00 34.83 33.47 1f4h s MET 202 CO 0.09 -0.44 1.54 -1.58 -2.03 0.00 0.00 175.02 172.60 1f4h s TRP 203 N -2.99 2.66 -0.64 3.16 0.52 -1.26 -4.23 118.94 116.17 1f4h s TRP 203 Ca 0.13 0.97 -0.18 0.00 0.02 0.00 0.00 56.10 57.04 1f4h s TRP 203 Cb 0.00 -4.05 0.12 0.00 -1.15 0.00 0.00 33.47 28.39 1f4h s TRP 203 CO 0.01 -3.32 0.74 1.03 0.02 0.00 0.00 176.95 175.42 1f4h s ARG 204 N -1.29 3.13 0.19 4.98 1.81 0.18 -4.93 118.95 123.03 1f4h s ARG 204 Ca 0.58 -1.48 0.01 0.00 -1.72 0.00 0.00 55.73 53.12 1f4h s ARG 204 Cb -0.47 -4.34 0.01 0.00 -0.45 0.00 0.00 34.95 29.70 1f4h s ARG 204 CO 0.56 -1.53 0.06 -1.33 -0.68 0.00 0.00 175.30 172.37 1f4h n MET 205 N 6.09 1.41 -4.13 3.54 2.81 -1.26 -3.80 117.12 121.78 1f4h n MET 205 Ca -0.05 -1.34 -0.11 0.00 -1.81 0.00 0.00 57.70 54.39 1f4h n MET 205 Cb 0.43 0.28 -0.09 0.00 -0.71 0.00 0.00 33.22 33.14 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 -2.10 0.09 0.00 7.83 1.04 -1.26 -4.76 113.70 114.54 1f4h s SER 206 Ca 0.04 -1.23 0.00 0.00 0.48 0.00 0.00 55.95 55.24 1f4h s SER 206 Cb -0.00 0.44 0.00 0.00 0.10 0.00 0.00 66.02 66.55 1f4h s SER 206 CO 0.03 -0.92 0.00 0.61 0.98 0.00 0.00 173.24 173.94 1f4h n GLY 207 N -0.29 1.16 3.52 7.32 0.00 0.26 -0.61 105.19 116.55 1f4h n GLY 207 Ca 0.00 -2.24 -0.43 0.00 0.00 0.00 0.00 46.02 43.36 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 -1.18 3.95 1.57 -0.61 5.41 -1.23 -1.16 119.36 126.11 1f4h n ILE 208 Ca 0.00 -4.09 0.11 0.00 1.00 0.00 0.00 62.75 59.77 1f4h n ILE 208 Cb 0.00 -2.37 0.50 0.00 -0.71 0.00 0.00 39.64 37.05 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 8.05 0.10 -4.36 1.39 1.16 -1.10 -2.32 117.46 120.39 1f4h n PHE 209 Ca 0.48 -0.05 -0.18 0.00 -1.87 0.00 0.00 57.45 55.83 1f4h n PHE 209 Cb 0.45 0.00 -0.10 0.00 -1.61 0.00 0.00 39.48 38.22 1f4h n PHE 209 CO 0.00 0.00 0.00 1.03 -1.87 0.00 0.00 176.76 175.92 1f4h s ARG 210 N -1.90 1.49 0.96 3.97 0.52 -1.17 -4.51 118.95 118.31 1f4h s ARG 210 Ca 0.33 -1.81 -0.14 0.00 -0.52 0.00 0.00 55.73 53.58 1f4h s ARG 210 Cb 0.17 -0.46 -0.04 0.00 0.52 0.00 0.00 34.95 35.14 1f4h s ARG 210 CO 0.27 -0.26 -0.06 -0.25 0.02 0.00 0.00 175.30 175.01 1f4h n ASP 211 N -0.54 -3.61 -3.97 0.23 9.92 -1.26 -4.52 116.55 112.80 1f4h n ASP 211 Ca -0.01 0.28 -0.20 0.00 -0.53 0.00 0.00 54.79 54.34 1f4h n ASP 211 Cb 0.66 -1.03 -0.16 0.00 -0.64 0.00 0.00 41.12 39.96 1f4h n ASP 211 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1f4h s VAL 212 N -2.23 0.69 0.23 2.53 1.01 -1.26 -0.43 120.40 120.95 1f4h s VAL 212 Ca 0.51 -0.30 -0.16 0.00 0.00 0.00 0.00 61.98 62.03 1f4h s VAL 212 Cb -0.21 -0.63 0.01 0.00 0.00 0.00 0.00 36.38 35.55 1f4h s VAL 212 CO 0.73 0.23 0.53 -0.44 0.00 0.00 0.00 175.10 176.15 1f4h s SER 213 N 0.31 -0.18 -0.11 3.32 0.01 -0.41 -0.47 113.70 116.17 1f4h s SER 213 Ca -0.05 -0.71 0.03 0.00 1.31 0.00 0.00 55.95 56.53 1f4h s SER 213 Cb -0.09 0.61 0.01 0.00 0.21 0.00 0.00 66.02 66.75 1f4h s SER 213 CO 0.00 -1.14 -0.21 -0.76 0.41 0.00 0.00 173.24 171.54 1f4h s LEU 214 N -2.95 1.99 -0.05 2.44 1.43 0.89 0.11 118.68 122.54 1f4h s LEU 214 Ca 0.15 -0.53 0.02 0.00 -1.03 0.00 0.00 54.13 52.75 1f4h s LEU 214 Cb -0.02 -1.32 0.01 0.00 0.03 0.00 0.00 46.19 44.90 1f4h s LEU 214 CO 0.04 0.09 -0.12 -0.22 0.23 0.00 0.00 176.35 176.38 1f4h s LEU 215 N 0.67 1.67 -0.26 1.79 2.96 -0.26 -0.69 118.68 124.56 1f4h s LEU 215 Ca -0.12 -0.27 -0.04 0.00 -0.22 0.00 0.00 54.13 53.48 1f4h s LEU 215 Cb -0.16 -0.77 0.01 0.00 0.50 0.00 0.00 46.19 45.77 1f4h s LEU 215 CO 0.02 0.05 -0.01 -2.28 -1.32 0.00 0.00 176.35 172.81 1f4h s HIS 216 N 0.54 3.06 0.24 5.38 5.65 -0.72 0.17 115.29 129.61 1f4h s HIS 216 Ca -0.11 -1.20 0.08 0.00 0.25 0.00 0.00 55.06 54.07 1f4h s HIS 216 Cb -0.14 -2.13 -0.04 0.00 -1.18 0.00 0.00 32.58 29.08 1f4h s HIS 216 CO 0.03 -0.63 0.05 0.15 -0.65 0.00 0.00 174.74 173.69 1f4h s LYS 217 N 1.42 2.50 0.90 2.88 1.02 0.16 -4.83 119.74 123.78 1f4h s LYS 217 Ca 0.02 -1.24 -0.11 0.00 0.02 0.00 0.00 55.97 54.66 1f4h s LYS 217 Cb -0.16 -2.32 0.13 0.00 -0.52 0.00 0.00 37.83 34.96 1f4h s LYS 217 CO -0.02 0.40 1.09 -1.25 -0.92 0.00 0.00 175.35 174.65 1f4h s PRO 218 N -3.56 1.25 0.16 -1.68 0.05 -1.26 0.17 135.00 130.13 1f4h s PRO 218 Ca 0.31 0.98 -0.09 0.00 0.05 0.00 0.00 61.00 62.25 1f4h s PRO 218 Cb -0.07 -1.80 0.02 0.00 0.05 0.00 0.00 34.50 32.70 1f4h s PRO 218 CO 0.21 -2.29 1.55 1.79 0.05 0.00 0.00 177.00 178.31 1f4h h THR 219 N -1.59 1.27 -3.34 1.26 1.35 -1.93 -3.37 112.91 106.56 1f4h h THR 219 Ca -0.48 -1.41 -0.72 0.00 -0.55 0.00 0.00 66.41 63.25 1f4h h THR 219 Cb 1.27 1.17 -0.21 0.00 -1.73 0.00 0.00 68.15 68.65 1f4h h THR 219 CO 0.52 0.48 -0.27 -0.89 -0.25 0.00 0.00 175.52 175.11 1f4h s THR 220 N -4.62 5.16 0.27 6.82 2.01 -1.26 -4.24 115.64 119.78 1f4h s THR 220 Ca -0.11 -0.84 0.02 0.00 0.31 0.00 0.00 61.69 61.07 1f4h s THR 220 Cb 0.12 -4.12 -0.04 0.00 0.01 0.00 0.00 72.50 68.47 1f4h s THR 220 CO 0.87 -0.56 0.17 0.00 -0.69 0.00 0.00 174.62 174.40 1f4h s GLN 221 N 1.86 1.48 -0.05 4.92 -2.07 0.39 -4.94 119.66 121.25 1f4h s GLN 221 Ca 0.07 -1.82 -0.21 0.00 -1.82 0.00 0.00 55.36 51.57 1f4h s GLN 221 Cb -0.22 0.09 -0.04 0.00 -1.09 0.00 0.00 33.01 31.75 1f4h s GLN 221 CO 0.09 -0.46 0.62 0.42 -1.32 0.00 0.00 175.29 174.65 1f4h s ILE 222 N -3.78 5.01 -0.11 3.63 1.01 -1.26 0.02 121.20 125.72 1f4h s ILE 222 Ca 0.38 1.29 0.06 0.00 0.00 0.00 0.00 60.65 62.38 1f4h s ILE 222 Cb 0.05 -3.96 -0.08 0.00 0.01 0.00 0.00 42.46 38.48 1f4h s ILE 222 CO 0.17 0.33 0.17 -1.54 0.00 0.00 0.00 174.94 174.07 1f4h n SER 223 N 3.35 2.37 -3.55 3.58 3.41 0.59 -4.86 113.62 118.50 1f4h n SER 223 Ca -0.04 -0.24 -0.08 0.00 -0.26 0.00 0.00 58.87 58.24 1f4h n SER 223 Cb 0.51 1.16 -0.03 0.00 -0.26 0.00 0.00 64.21 65.59 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 -2.24 -0.31 -0.08 4.04 3.68 -1.19 -4.91 116.67 115.67 1f4h s ASP 224 Ca -0.01 0.14 -0.29 0.00 2.13 0.00 0.00 52.55 54.52 1f4h s ASP 224 Cb 0.04 0.29 0.07 0.00 -1.45 0.00 0.00 42.92 41.87 1f4h s ASP 224 CO 0.24 -0.42 0.67 0.72 0.13 0.00 0.00 175.17 176.51 1f4h s PHE 225 N -2.18 -0.65 0.01 -5.34 -0.12 -1.26 -1.93 117.98 106.51 1f4h s PHE 225 Ca 0.04 1.20 0.01 0.00 -0.05 0.00 0.00 56.93 58.13 1f4h s PHE 225 Cb -0.01 0.37 -0.01 0.00 -0.63 0.00 0.00 43.02 42.75 1f4h s PHE 225 CO -0.04 -0.56 -0.04 -1.01 -0.05 0.00 0.00 175.22 173.51 1f4h s HIS 226 N -0.96 0.34 -0.06 3.49 3.76 -0.85 -4.83 115.29 116.18 1f4h s HIS 226 Ca -0.09 -0.22 0.03 0.00 -0.15 0.00 0.00 55.06 54.62 1f4h s HIS 226 Cb -0.01 -0.22 -0.03 0.00 1.11 0.00 0.00 32.58 33.44 1f4h s HIS 226 CO 0.08 -0.05 -0.13 0.08 -0.85 0.00 0.00 174.74 173.88 1f4h s VAL 227 N -0.57 3.19 0.01 -0.90 1.01 -1.26 -1.80 120.40 120.07 1f4h s VAL 227 Ca -0.04 -0.67 -0.01 0.00 0.00 0.00 0.00 61.98 61.27 1f4h s VAL 227 Cb -0.04 -2.27 -0.01 0.00 0.00 0.00 0.00 36.38 34.06 1f4h s VAL 227 CO -0.00 0.58 0.00 0.00 0.00 0.00 0.00 175.10 175.68 1f4h s ALA 228 N -0.62 0.02 -0.13 5.51 0.00 -0.34 -4.92 121.76 121.27 1f4h s ALA 228 Ca 0.09 -0.22 -0.02 0.00 0.00 0.00 0.00 51.96 51.81 1f4h s ALA 228 Cb -0.11 0.05 0.04 0.00 0.00 0.00 0.00 23.12 23.10 1f4h s ALA 228 CO 0.01 -0.08 0.01 0.95 0.00 0.00 0.00 175.76 176.65 1f4h s THR 229 N -0.65 0.52 0.02 0.00 -4.23 -1.26 0.51 115.64 110.56 1f4h s THR 229 Ca -0.07 -0.23 0.02 0.00 -1.18 0.00 0.00 61.69 60.23 1f4h s THR 229 Cb -0.04 -0.82 -0.04 0.00 1.34 0.00 0.00 72.50 72.94 1f4h s THR 229 CO -0.00 0.06 -0.00 0.00 -0.54 0.00 0.00 174.62 174.14 1f4h s ARG 230 N 1.89 2.72 0.18 3.99 1.70 -0.80 -4.89 118.95 123.74 1f4h s ARG 230 Ca 0.02 -0.67 0.10 0.00 -0.47 0.00 0.00 55.73 54.71 1f4h s ARG 230 Cb -0.14 -2.63 -0.04 0.00 -0.57 0.00 0.00 34.95 31.56 1f4h s ARG 230 CO -0.07 0.60 -0.21 -0.06 -1.08 0.00 0.00 175.30 174.49 1f4h s PHE 231 N -1.14 2.03 0.32 5.89 0.40 -1.26 -0.52 117.98 123.69 1f4h s PHE 231 Ca 0.21 -0.42 -0.05 0.00 -0.60 0.00 0.00 56.93 56.07 1f4h s PHE 231 Cb -0.12 -1.00 0.08 0.00 0.51 0.00 0.00 43.02 42.49 1f4h s PHE 231 CO 0.12 0.41 0.33 0.27 0.70 0.00 0.00 175.22 177.06 1f4h n ASN 232 N 0.26 -0.86 0.25 1.36 6.94 -0.64 -4.95 115.26 117.63 1f4h n ASN 232 Ca -0.13 -0.84 0.14 0.00 -0.02 0.00 0.00 54.58 53.73 1f4h n ASN 232 Cb 0.57 -0.29 0.54 0.00 -2.36 0.00 0.00 39.78 38.24 1f4h n ASN 232 CO 0.00 0.00 0.00 -2.24 -1.03 0.00 0.00 177.26 173.99 1f4h h ASP 233 N -1.16 0.00 -0.03 0.53 2.03 -2.01 -3.21 116.42 112.57 1f4h h ASP 233 Ca -0.12 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.18 1f4h h ASP 233 Cb 0.35 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.85 1f4h h ASP 233 CO 0.08 0.10 0.00 -0.90 -1.03 0.00 0.00 179.24 177.49 1f4h n ASP 234 N -3.22 2.32 -0.40 4.15 5.75 -1.26 -4.94 116.55 118.95 1f4h n ASP 234 Ca 0.01 -2.65 -0.05 0.00 -0.01 0.00 0.00 54.79 52.08 1f4h n ASP 234 Cb 0.38 -0.27 -0.02 0.00 -1.03 0.00 0.00 41.12 40.17 1f4h n ASP 234 CO 0.00 0.00 0.00 0.49 -0.11 0.00 0.00 177.20 177.58 1f4h n PHE 235 N -0.98 0.00 0.62 2.11 3.01 -1.22 -4.82 117.46 116.18 1f4h n PHE 235 Ca 0.10 0.00 0.13 0.00 1.01 0.00 0.00 57.45 58.69 1f4h n PHE 235 Cb 0.50 -2.19 0.45 0.00 -0.01 0.00 0.00 39.48 38.23 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 -0.95 0.61 -3.73 4.37 3.41 -1.26 -4.55 113.62 111.52 1f4h n SER 236 Ca -0.05 0.58 -0.14 0.00 -0.26 0.00 0.00 58.87 59.00 1f4h n SER 236 Cb 0.50 -0.74 -0.09 0.00 -0.26 0.00 0.00 64.21 63.62 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 -3.13 0.59 0.07 4.33 1.70 -1.26 0.35 118.95 121.61 1f4h s ARG 237 Ca 0.09 0.23 0.01 0.00 -0.47 0.00 0.00 55.73 55.59 1f4h s ARG 237 Cb 0.12 0.28 -0.04 0.00 -0.57 0.00 0.00 34.95 34.74 1f4h s ARG 237 CO 0.52 -0.13 -0.05 0.00 -1.08 0.00 0.00 175.30 174.56 1f4h s ALA 238 N -0.52 0.74 -0.10 7.88 0.00 0.25 -1.62 121.76 128.40 1f4h s ALA 238 Ca -0.06 -1.25 -0.01 0.00 0.00 0.00 0.00 51.96 50.64 1f4h s ALA 238 Cb -0.04 0.20 -0.03 0.00 0.00 0.00 0.00 23.12 23.26 1f4h s ALA 238 CO 0.03 -0.28 -0.03 0.08 0.00 0.00 0.00 175.76 175.55 1f4h s VAL 239 N -3.61 4.00 -0.22 0.00 1.01 0.32 -0.31 120.40 121.59 1f4h s VAL 239 Ca 0.08 -0.35 -0.07 0.00 0.00 0.00 0.00 61.98 61.64 1f4h s VAL 239 Cb 0.05 -2.68 -0.03 0.00 0.00 0.00 0.00 36.38 33.72 1f4h s VAL 239 CO -0.07 0.57 0.06 -0.22 0.00 0.00 0.00 175.10 175.45 1f4h s LEU 240 N -0.55 3.55 -0.14 3.92 2.96 0.17 -1.90 118.68 126.68 1f4h s LEU 240 Ca 0.09 -0.11 -0.01 0.00 -0.22 0.00 0.00 54.13 53.88 1f4h s LEU 240 Cb -0.12 -1.93 -0.01 0.00 0.50 0.00 0.00 46.19 44.63 1f4h s LEU 240 CO 0.02 0.04 -0.12 -0.70 -1.32 0.00 0.00 176.35 174.28 1f4h s GLU 241 N 1.15 3.39 -0.08 1.98 2.12 0.18 0.15 118.70 127.59 1f4h s GLU 241 Ca 0.04 -0.67 0.04 0.00 0.36 0.00 0.00 54.97 54.74 1f4h s GLU 241 Cb -0.14 -2.69 0.00 0.00 0.26 0.00 0.00 34.13 31.56 1f4h s GLU 241 CO 0.03 0.16 -0.21 0.00 -0.54 0.00 0.00 175.26 174.71 1f4h s ALA 242 N 0.49 1.90 -0.20 6.30 0.00 0.93 -1.20 121.76 129.99 1f4h s ALA 242 Ca -0.08 -0.82 -0.03 0.00 0.00 0.00 0.00 51.96 51.02 1f4h s ALA 242 Cb -0.16 -0.72 -0.01 0.00 0.00 0.00 0.00 23.12 22.24 1f4h s ALA 242 CO 0.04 0.26 -0.07 -2.00 0.00 0.00 0.00 175.76 173.99 1f4h s GLU 243 N 0.35 3.37 -0.04 0.00 2.12 -0.75 -1.19 118.70 122.55 1f4h s GLU 243 Ca -0.15 -0.64 0.06 0.00 0.36 0.00 0.00 54.97 54.59 1f4h s GLU 243 Cb -0.17 -2.90 -0.01 0.00 0.26 0.00 0.00 34.13 31.31 1f4h s GLU 243 CO 0.07 -0.10 -0.23 0.08 -0.54 0.00 0.00 175.26 174.54 1f4h s VAL 244 N 1.19 1.85 -0.02 3.70 1.01 0.37 -2.00 120.40 126.50 1f4h s VAL 244 Ca 0.02 -0.97 0.07 0.00 0.00 0.00 0.00 61.98 61.11 1f4h s VAL 244 Cb -0.14 -1.57 -0.02 0.00 0.00 0.00 0.00 36.38 34.65 1f4h s VAL 244 CO -0.02 0.52 -0.25 0.00 0.00 0.00 0.00 175.10 175.35 1f4h s GLN 245 N -0.22 2.09 0.47 2.72 -2.07 -0.81 -0.35 119.66 121.49 1f4h s GLN 245 Ca -0.00 -0.89 0.06 0.00 -1.82 0.00 0.00 55.36 52.70 1f4h s GLN 245 Cb -0.12 -1.98 -0.01 0.00 -1.09 0.00 0.00 33.01 29.81 1f4h s GLN 245 CO 0.02 0.51 0.24 0.00 -1.32 0.00 0.00 175.29 174.74 1f4h s MET 246 N -0.52 2.25 -0.09 9.60 0.23 -0.92 -0.30 119.30 129.55 1f4h s MET 246 Ca 0.08 -1.98 -0.04 0.00 -1.03 0.00 0.00 55.69 52.72 1f4h s MET 246 Cb -0.10 -1.97 0.05 0.00 -1.53 0.00 0.00 34.83 31.28 1f4h s MET 246 CO -0.00 -0.33 0.20 0.00 -2.03 0.00 0.00 175.02 172.85 1f4h n GLY 248 N 4.82 2.48 3.66 0.00 0.00 -1.26 -0.46 105.19 114.43 1f4h n GLY 248 Ca -0.15 -1.90 -0.43 0.00 0.00 0.00 0.00 46.02 43.54 1f4h n GLY 248 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1f4h s GLU 249 N -1.72 4.28 0.26 1.61 2.02 -1.26 -4.95 118.70 118.94 1f4h s GLU 249 Ca 0.00 1.46 -0.30 0.00 0.02 0.00 0.00 54.97 56.15 1f4h s GLU 249 Cb 0.00 -3.65 -0.10 0.00 0.10 0.00 0.00 34.13 30.47 1f4h s GLU 249 CO 0.00 -0.60 1.44 -0.51 0.02 0.00 0.00 175.26 175.61 1f4h s LEU 250 N 3.08 4.38 -0.10 1.80 1.43 -1.26 -5.01 118.68 123.01 1f4h s LEU 250 Ca 0.48 2.70 -0.10 0.00 -1.03 0.00 0.00 54.13 56.18 1f4h s LEU 250 Cb -0.18 -3.63 0.03 0.00 0.03 0.00 0.00 46.19 42.44 1f4h s LEU 250 CO 0.10 -0.71 0.28 -0.13 0.23 0.00 0.00 176.35 176.12 1f4h s ARG 251 N -0.54 0.34 0.00 1.70 0.52 -1.26 -5.03 118.95 114.67 1f4h s ARG 251 Ca 0.59 0.35 0.00 0.00 -0.52 0.00 0.00 55.73 56.15 1f4h s ARG 251 Cb -0.42 0.16 0.00 0.00 0.52 0.00 0.00 34.95 35.21 1f4h s ARG 251 CO 0.45 -0.04 0.36 -0.40 0.02 0.00 0.00 175.30 175.69 1f4h n ASP 252 N 2.85 0.00 -0.16 0.23 5.75 -1.26 -0.95 116.55 123.01 1f4h n ASP 252 Ca -0.13 0.03 0.06 0.00 -0.01 0.00 0.00 54.79 54.74 1f4h n ASP 252 Cb 0.58 -0.03 -0.04 0.00 -1.03 0.00 0.00 41.12 40.61 1f4h n ASP 252 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1f4h n TYR 253 N -0.86 0.00 -2.32 2.11 0.18 -1.26 -4.95 117.16 110.05 1f4h n TYR 253 Ca 0.00 0.00 -0.41 0.00 1.88 0.00 0.00 57.90 59.37 1f4h n TYR 253 Cb 0.01 0.00 -0.03 0.00 -0.38 0.00 0.00 39.34 38.94 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 -2.22 4.48 0.23 -3.48 1.43 -0.13 -0.49 118.68 118.50 1f4h s LEU 254 Ca 0.08 2.40 0.01 0.00 -1.03 0.00 0.00 54.13 55.59 1f4h s LEU 254 Cb 0.10 -3.63 -0.05 0.00 0.03 0.00 0.00 46.19 42.65 1f4h s LEU 254 CO 0.43 -0.34 0.09 -0.13 0.23 0.00 0.00 176.35 176.64 1f4h s ARG 255 N -1.20 1.30 -0.09 1.70 0.52 0.65 -4.35 118.95 117.49 1f4h s ARG 255 Ca 0.48 -1.69 -0.04 0.00 -0.52 0.00 0.00 55.73 53.97 1f4h s ARG 255 Cb -0.35 -0.10 0.05 0.00 0.52 0.00 0.00 34.95 35.07 1f4h s ARG 255 CO 0.43 -0.30 0.18 0.08 0.02 0.00 0.00 175.30 175.71 1f4h s VAL 256 N -3.87 -0.21 -0.02 3.52 1.01 0.18 -1.90 120.40 119.11 1f4h s VAL 256 Ca 0.36 0.28 0.08 0.00 0.00 0.00 0.00 61.98 62.70 1f4h s VAL 256 Cb 0.07 -0.31 -0.02 0.00 0.00 0.00 0.00 36.38 36.12 1f4h s VAL 256 CO 0.12 0.12 -0.26 -0.89 0.00 0.00 0.00 175.10 174.19 1f4h s THR 257 N 1.91 2.08 -0.06 3.92 2.01 -0.77 -0.09 115.64 124.64 1f4h s THR 257 Ca -0.02 -1.10 -0.01 0.00 0.31 0.00 0.00 61.69 60.87 1f4h s THR 257 Cb -0.12 -1.72 0.03 0.00 0.01 0.00 0.00 72.50 70.70 1f4h s THR 257 CO -0.06 0.58 0.02 -0.69 -0.69 0.00 0.00 174.62 173.77 1f4h s VAL 258 N -0.56 0.22 0.02 3.82 1.01 -0.05 0.40 120.40 125.25 1f4h s VAL 258 Ca 0.09 0.20 0.09 0.00 0.00 0.00 0.00 61.98 62.35 1f4h s VAL 258 Cb -0.10 -0.40 -0.02 0.00 0.00 0.00 0.00 36.38 35.85 1f4h s VAL 258 CO -0.00 0.22 -0.26 -0.44 0.00 0.00 0.00 175.10 174.62 1f4h s SER 259 N 1.89 3.11 -0.14 3.32 0.01 0.17 0.17 113.70 122.22 1f4h s SER 259 Ca 0.03 -0.54 0.02 0.00 1.31 0.00 0.00 55.95 56.77 1f4h s SER 259 Cb -0.12 -0.31 0.01 0.00 0.21 0.00 0.00 66.02 65.81 1f4h s SER 259 CO -0.04 0.29 -0.20 -0.22 0.41 0.00 0.00 173.24 173.47 1f4h s LEU 260 N -0.96 2.03 -0.01 2.44 2.96 0.13 0.36 118.68 125.64 1f4h s LEU 260 Ca 0.11 -0.58 0.07 0.00 -0.22 0.00 0.00 54.13 53.51 1f4h s LEU 260 Cb -0.10 -1.38 -0.02 0.00 0.50 0.00 0.00 46.19 45.19 1f4h s LEU 260 CO 0.01 0.05 -0.23 0.26 -1.32 0.00 0.00 176.35 175.12 1f4h s TRP 261 N 0.94 2.06 -0.61 5.38 0.52 0.34 0.12 118.94 127.69 1f4h s TRP 261 Ca -0.05 -0.39 0.01 0.00 0.02 0.00 0.00 56.10 55.70 1f4h s TRP 261 Cb -0.15 -1.32 0.15 0.00 -1.15 0.00 0.00 33.47 31.00 1f4h s TRP 261 CO -0.04 -0.03 0.40 -1.14 0.02 0.00 0.00 176.95 176.16 1f4h s GLN 262 N -0.58 2.36 5.92 4.98 0.74 0.12 -1.30 119.66 131.90 1f4h s GLN 262 Ca 0.09 -2.75 0.00 0.00 0.05 0.00 0.00 55.36 52.75 1f4h s GLN 262 Cb -0.09 -3.53 0.00 0.00 1.10 0.00 0.00 33.01 30.49 1f4h s GLN 262 CO -0.01 -1.17 0.00 0.41 -0.55 0.00 0.00 175.29 173.97 1f4h n GLY 263 N 3.02 1.84 0.00 2.59 0.00 -1.26 -2.74 105.19 108.65 1f4h n GLY 263 Ca 0.09 -0.56 0.07 0.00 0.00 0.00 0.00 46.02 45.63 1f4h n GLY 263 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1f4h n GLU 264 N 6.99 1.24 -3.15 1.61 -0.58 -1.26 -4.92 120.64 120.57 1f4h n GLU 264 Ca 0.00 -0.08 -0.40 0.00 -0.42 0.00 0.00 57.16 56.26 1f4h n GLU 264 Cb 0.00 -1.27 -0.06 0.00 -0.57 0.00 0.00 31.44 29.53 1f4h n GLU 264 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 1f4h s THR 265 N -2.73 5.04 -0.25 2.62 2.01 -1.11 -5.02 115.64 116.21 1f4h s THR 265 Ca -0.01 1.11 -0.24 0.00 0.31 0.00 0.00 61.69 62.86 1f4h s THR 265 Cb 0.10 -3.91 -0.00 0.00 0.01 0.00 0.00 72.50 68.69 1f4h s THR 265 CO 0.60 0.12 0.82 -1.58 -0.69 0.00 0.00 174.62 173.89 1f4h s GLN 266 N 1.94 4.17 -0.15 4.92 0.74 -1.26 0.14 119.66 130.16 1f4h s GLN 266 Ca 0.27 0.91 -0.15 0.00 0.05 0.00 0.00 55.36 56.44 1f4h s GLN 266 Cb -0.16 -3.65 -0.24 0.00 1.10 0.00 0.00 33.01 30.06 1f4h s GLN 266 CO 0.10 -0.53 0.38 0.28 -0.55 0.00 0.00 175.29 174.97 1f4h h VAL 267 N 5.44 0.87 -2.38 1.34 2.07 -0.67 -3.48 116.25 119.45 1f4h h VAL 267 Ca -0.23 -2.30 -0.08 0.00 0.82 0.00 0.00 66.70 64.91 1f4h h VAL 267 Cb 1.09 2.48 -0.20 0.00 -1.52 0.00 0.00 31.29 33.14 1f4h h VAL 267 CO 0.87 0.62 0.00 0.00 0.02 0.00 0.00 177.57 179.09 1f4h s ALA 268 N -2.46 -1.41 -0.00 1.67 0.00 -0.99 -5.00 121.76 113.58 1f4h s ALA 268 Ca -0.24 1.08 0.01 0.00 0.00 0.00 0.00 51.96 52.81 1f4h s ALA 268 Cb 0.05 -0.17 0.00 0.00 0.00 0.00 0.00 23.12 23.01 1f4h s ALA 268 CO 0.70 -0.32 -0.02 0.45 0.00 0.00 0.00 175.76 176.58 1f4h s SER 269 N -0.93 0.23 -0.02 0.00 0.15 -1.26 0.20 113.70 112.06 1f4h s SER 269 Ca -0.10 -0.03 0.02 0.00 0.70 0.00 0.00 55.95 56.54 1f4h s SER 269 Cb -0.02 -0.03 0.01 0.00 -1.71 0.00 0.00 66.02 64.26 1f4h s SER 269 CO 0.06 0.02 -0.05 -0.83 1.20 0.00 0.00 173.24 173.63 1f4h s GLY 270 N 0.02 0.36 -0.04 9.45 0.00 0.13 -4.97 107.32 112.28 1f4h s GLY 270 Ca 0.00 -0.17 0.07 0.00 0.00 0.00 0.00 44.72 44.62 1f4h s GLY 270 CO -0.00 0.05 -0.25 -1.59 0.00 0.00 0.00 173.10 171.31 1f4h s THR 271 N 0.29 2.13 0.01 0.90 2.01 -1.26 -0.87 115.64 118.85 1f4h s THR 271 Ca -0.03 -1.06 -0.28 0.00 0.31 0.00 0.00 61.69 60.62 1f4h s THR 271 Cb -0.08 -1.75 0.09 0.00 0.01 0.00 0.00 72.50 70.77 1f4h s THR 271 CO -0.00 0.58 0.81 0.00 -0.69 0.00 0.00 174.62 175.32 1f4h s ALA 272 N -0.45 -1.78 0.12 7.40 0.00 0.87 -4.97 121.76 122.96 1f4h s ALA 272 Ca 0.05 1.00 -0.00 0.00 0.00 0.00 0.00 51.96 53.01 1f4h s ALA 272 Cb -0.11 0.34 -0.04 0.00 0.00 0.00 0.00 23.12 23.30 1f4h s ALA 272 CO 0.01 -0.63 0.29 -1.25 0.00 0.00 0.00 175.76 174.18 1f4h s PRO 273 N -2.81 3.48 0.78 0.00 0.04 -1.26 0.50 135.00 135.73 1f4h s PRO 273 Ca 0.02 -0.42 -0.15 0.00 0.04 0.00 0.00 61.00 60.49 1f4h s PRO 273 Cb -0.01 -2.95 0.02 0.00 0.04 0.00 0.00 34.50 31.60 1f4h s PRO 273 CO -0.07 0.52 0.82 1.19 0.04 0.00 0.00 177.00 179.51 1f4h n PHE 274 N -0.16 0.09 0.00 0.56 3.01 -1.26 -4.90 117.46 114.79 1f4h n PHE 274 Ca -0.05 0.36 0.00 0.00 1.01 0.00 0.00 57.45 58.77 1f4h n PHE 274 Cb 0.52 -1.99 0.00 0.00 -0.01 0.00 0.00 39.48 38.00 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 1.16 2.57 3.95 1.37 0.00 0.56 -4.96 105.19 109.85 1f4h n GLY 275 Ca 0.11 -0.95 -0.25 0.00 0.00 0.00 0.00 46.02 44.93 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 1.74 0.91 -0.02 0.00 0.11 -4.75 107.32 105.31 1f4h s GLY 276 Ca 0.00 -1.22 -0.12 0.00 0.00 0.00 0.00 44.72 43.38 1f4h s GLY 276 CO 0.00 -0.73 1.09 -0.54 0.00 0.00 0.00 173.10 172.92 1f4h s GLU 277 N -5.27 1.16 0.58 2.90 8.01 -1.26 -4.61 118.70 120.20 1f4h s GLU 277 Ca 0.64 0.79 -0.21 0.00 0.01 0.00 0.00 54.97 56.20 1f4h s GLU 277 Cb -0.08 -1.80 -0.04 0.00 -4.31 0.00 0.00 34.13 27.90 1f4h s GLU 277 CO 0.45 -2.30 1.30 -0.89 0.01 0.00 0.00 175.26 173.83 1f4h n ILE 278 N -3.92 4.08 0.00 -1.63 2.08 -1.26 -4.13 119.36 114.58 1f4h n ILE 278 Ca 0.07 -0.50 0.00 0.00 0.56 0.00 0.00 62.75 62.88 1f4h n ILE 278 Cb 0.55 -1.56 0.00 0.00 -0.75 0.00 0.00 39.64 37.88 1f4h n ILE 278 CO 0.00 0.00 0.00 2.30 0.56 0.00 0.00 176.55 179.41 1f4h n ILE 279 N -1.32 0.00 -4.25 1.39 -5.35 0.17 -4.90 119.36 105.11 1f4h n ILE 279 Ca 0.12 0.00 -0.16 0.00 -0.27 0.00 0.00 62.75 62.44 1f4h n ILE 279 Cb 0.46 -0.86 -0.06 0.00 -1.74 0.00 0.00 39.64 37.43 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 -2.59 -0.15 0.14 7.28 3.85 -1.07 -5.00 116.55 119.02 1f4h n ASP 280 Ca 0.00 -2.66 0.05 0.00 -0.71 0.00 0.00 54.79 51.46 1f4h n ASP 280 Cb 0.33 1.16 0.24 0.00 -1.35 0.00 0.00 41.12 41.50 1f4h n ASP 280 CO 0.00 0.00 0.00 -0.62 -1.01 0.00 0.00 177.20 175.57 1f4h n GLU 281 N -0.53 0.06 -0.03 0.11 4.71 -1.26 -1.16 120.64 122.54 1f4h n GLU 281 Ca 0.04 0.50 0.06 0.00 -0.01 0.00 0.00 57.16 57.75 1f4h n GLU 281 Cb 0.46 -2.08 -0.17 0.00 -1.01 0.00 0.00 31.44 28.64 1f4h n GLU 281 CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 177.13 177.76 1f4h n ARG 282 N -1.88 0.67 0.00 3.49 5.12 -1.26 -5.10 116.66 117.69 1f4h n ARG 282 Ca -0.01 -0.15 0.00 0.00 -1.93 0.00 0.00 57.85 55.76 1f4h n ARG 282 Cb 0.39 -1.52 0.00 0.00 -1.16 0.00 0.00 32.46 30.17 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 1.38 0.35 1.95 -0.13 0.00 -0.31 -5.05 105.19 103.37 1f4h n GLY 283 Ca -0.11 -1.45 -0.12 0.00 0.00 0.00 0.00 46.02 44.34 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 3.36 3.70 -0.02 0.00 -1.26 0.46 105.19 111.43 1f4h n GLY 284 Ca 0.00 -1.81 -0.41 0.00 0.00 0.00 0.00 46.02 43.80 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 -2.81 3.56 -0.42 1.61 1.51 -1.26 -4.84 117.35 114.70 1f4h s TYR 285 Ca 0.24 1.38 0.23 0.00 -1.01 0.00 0.00 57.07 57.91 1f4h s TYR 285 Cb 0.01 -2.96 0.31 0.00 -0.11 0.00 0.00 41.96 39.21 1f4h s TYR 285 CO 0.17 -0.03 1.53 0.00 -1.11 0.00 0.00 175.55 176.10 1f4h h ALA 286 N 6.93 0.92 -0.71 3.71 0.00 -1.94 0.32 119.26 128.48 1f4h h ALA 286 Ca -0.38 0.00 -0.30 0.00 0.00 0.00 0.00 54.91 54.24 1f4h h ALA 286 Cb 1.18 0.00 -0.18 0.00 0.00 0.00 0.00 17.79 18.80 1f4h h ALA 286 CO 0.78 0.00 0.31 -0.40 0.00 0.00 0.00 179.25 179.94 1f4h n ASP 287 N -2.99 3.88 -4.06 0.00 5.75 -1.26 -2.25 116.55 115.63 1f4h n ASP 287 Ca 0.03 -3.46 -0.09 0.00 -0.01 0.00 0.00 54.79 51.26 1f4h n ASP 287 Cb 0.53 -0.74 -0.09 0.00 -1.03 0.00 0.00 41.12 39.79 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 -3.15 0.97 -0.24 0.11 0.52 -1.24 -2.15 118.95 113.77 1f4h s ARG 288 Ca 0.53 -1.29 -0.26 0.00 -0.52 0.00 0.00 55.73 54.19 1f4h s ARG 288 Cb 0.44 0.29 0.09 0.00 0.52 0.00 0.00 34.95 36.29 1f4h s ARG 288 CO 0.09 -0.30 0.84 0.54 0.02 0.00 0.00 175.30 176.49 1f4h s VAL 289 N -3.99 0.00 -0.11 3.52 0.11 0.52 -0.32 120.40 120.13 1f4h s VAL 289 Ca 0.18 0.00 0.02 0.00 -2.93 0.00 0.00 61.98 59.25 1f4h s VAL 289 Cb 0.06 -1.00 0.01 0.00 -1.53 0.00 0.00 36.38 33.92 1f4h s VAL 289 CO -0.01 0.00 -0.16 -0.89 -3.33 0.00 0.00 175.10 170.71 1f4h s THR 290 N 0.03 1.55 -0.07 5.04 2.01 -1.24 0.14 115.64 123.10 1f4h s THR 290 Ca -0.00 -0.68 0.02 0.00 0.31 0.00 0.00 61.69 61.34 1f4h s THR 290 Cb -0.04 -1.41 -0.02 0.00 0.01 0.00 0.00 72.50 71.03 1f4h s THR 290 CO -0.00 0.45 -0.12 -0.76 -0.69 0.00 0.00 174.62 173.50 1f4h s LEU 291 N 0.96 2.86 -0.21 4.42 1.43 -0.33 -4.92 118.68 122.89 1f4h s LEU 291 Ca -0.07 -0.18 -0.01 0.00 -1.03 0.00 0.00 54.13 52.84 1f4h s LEU 291 Cb -0.15 -1.61 0.01 0.00 0.03 0.00 0.00 46.19 44.47 1f4h s LEU 291 CO -0.01 0.31 -0.12 -0.13 0.23 0.00 0.00 176.35 176.63 1f4h s ARG 292 N -0.50 3.11 -0.12 1.70 0.52 -1.26 -0.05 118.95 122.36 1f4h s ARG 292 Ca 0.07 -0.77 -0.04 0.00 -0.52 0.00 0.00 55.73 54.46 1f4h s ARG 292 Cb -0.12 -2.80 -0.04 0.00 0.52 0.00 0.00 34.95 32.51 1f4h s ARG 292 CO 0.02 -0.23 0.04 -0.51 0.02 0.00 0.00 175.30 174.63 1f4h s LEU 293 N 1.37 3.73 -0.33 2.53 1.43 0.40 -4.89 118.68 122.92 1f4h s LEU 293 Ca 0.05 0.15 -0.19 0.00 -1.03 0.00 0.00 54.13 53.10 1f4h s LEU 293 Cb -0.14 -1.89 -0.01 0.00 0.03 0.00 0.00 46.19 44.18 1f4h s LEU 293 CO -0.08 0.31 0.58 0.20 0.23 0.00 0.00 176.35 177.59 1f4h s ASN 294 N -0.45 6.41 -0.16 2.29 -0.87 -1.26 0.43 114.94 121.33 1f4h s ASN 294 Ca 0.09 0.19 0.02 0.00 -1.57 0.00 0.00 52.86 51.59 1f4h s ASN 294 Cb -0.12 -2.30 0.02 0.00 -0.02 0.00 0.00 41.25 38.82 1f4h s ASN 294 CO 0.02 -0.50 -0.20 -0.69 -2.57 0.00 0.00 177.10 173.16 1f4h s VAL 295 N 2.54 2.02 -0.09 1.60 1.01 0.58 -4.92 120.40 123.14 1f4h s VAL 295 Ca 0.22 -0.93 -0.02 0.00 0.00 0.00 0.00 61.98 61.25 1f4h s VAL 295 Cb -0.15 -1.81 -0.03 0.00 0.00 0.00 0.00 36.38 34.39 1f4h s VAL 295 CO 0.13 0.54 -0.01 -1.61 0.00 0.00 0.00 175.10 174.15 1f4h s GLU 296 N 1.11 3.02 -1.05 2.72 2.02 -1.26 0.88 118.70 126.13 1f4h s GLU 296 Ca 0.00 -0.43 -0.21 0.00 0.02 0.00 0.00 54.97 54.36 1f4h s GLU 296 Cb -0.14 -2.79 0.03 0.00 0.10 0.00 0.00 34.13 31.33 1f4h s GLU 296 CO -0.08 0.66 0.65 0.09 0.02 0.00 0.00 175.26 176.60 1f4h n ASN 297 N 2.26 -4.43 -4.82 -0.19 3.02 0.16 -4.89 115.26 106.37 1f4h n ASN 297 Ca -0.18 -1.17 -0.31 0.00 -0.03 0.00 0.00 54.58 52.89 1f4h n ASN 297 Cb 0.53 -1.65 0.06 0.00 -0.61 0.00 0.00 39.78 38.11 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 -6.41 2.76 -0.32 3.52 0.04 -1.26 -5.04 135.00 128.29 1f4h s PRO 298 Ca 0.29 0.88 -0.11 0.00 0.04 0.00 0.00 61.00 62.10 1f4h s PRO 298 Cb -0.16 -1.98 -0.02 0.00 0.04 0.00 0.00 34.50 32.39 1f4h s PRO 298 CO 0.94 -1.21 0.20 0.15 0.04 0.00 0.00 177.00 177.13 1f4h s LYS 299 N -5.07 3.46 0.21 4.56 1.02 -1.26 -5.00 119.74 117.66 1f4h s LYS 299 Ca 0.59 -0.65 -0.20 0.00 0.02 0.00 0.00 55.97 55.72 1f4h s LYS 299 Cb -0.14 -3.70 -0.08 0.00 -0.52 0.00 0.00 37.83 33.39 1f4h s LYS 299 CO 0.55 -0.41 0.73 -0.51 -0.92 0.00 0.00 175.35 174.78 1f4h s LEU 300 N 1.68 4.39 -0.02 3.17 1.43 -1.26 -4.37 118.68 123.70 1f4h s LEU 300 Ca 0.06 1.45 -0.16 0.00 -1.03 0.00 0.00 54.13 54.45 1f4h s LEU 300 Cb -0.17 -3.52 -0.05 0.00 0.03 0.00 0.00 46.19 42.48 1f4h s LEU 300 CO 0.09 0.07 0.43 0.86 0.23 0.00 0.00 176.35 178.02 1f4h s TRP 301 N -1.45 3.69 0.24 0.29 -0.00 -0.70 -4.08 118.94 116.93 1f4h s TRP 301 Ca 0.41 0.98 -0.14 0.00 -0.00 0.00 0.00 56.10 57.36 1f4h s TRP 301 Cb -0.18 -2.35 0.00 0.00 -0.00 0.00 0.00 33.47 30.95 1f4h s TRP 301 CO 0.22 0.55 0.50 -1.54 -0.00 0.00 0.00 176.95 176.68 1f4h s SER 302 N -0.76 -0.12 0.36 5.86 1.04 -1.02 -4.64 113.70 114.42 1f4h s SER 302 Ca 0.24 -0.84 0.18 0.00 0.48 0.00 0.00 55.95 56.01 1f4h s SER 302 Cb -0.17 0.60 0.57 0.00 0.10 0.00 0.00 66.02 67.12 1f4h s SER 302 CO 0.13 -1.15 1.68 0.00 0.98 0.00 0.00 173.24 174.88 1f4h h ALA 303 N 2.23 0.92 -0.10 5.32 0.00 -1.92 -2.21 119.26 123.51 1f4h h ALA 303 Ca -0.26 -0.37 -0.17 0.00 0.00 0.00 0.00 54.91 54.11 1f4h h ALA 303 Cb 1.25 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 1f4h h ALA 303 CO 0.35 0.50 -0.68 0.93 0.00 0.00 0.00 179.25 180.35 1f4h h GLU 304 N 0.00 0.41 -1.57 0.00 5.08 -1.94 -3.42 114.58 113.13 1f4h h GLU 304 Ca -0.00 -0.31 -0.21 0.00 -1.00 0.00 0.00 59.36 57.84 1f4h h GLU 304 Cb 0.99 0.06 -0.27 0.00 0.50 0.00 0.00 28.75 30.04 1f4h h GLU 304 CO 0.05 0.94 -0.56 0.42 -1.00 0.00 0.00 179.01 178.86 1f4h s ILE 305 N -3.71 -0.64 -1.04 3.13 1.01 -1.06 -4.92 121.20 113.98 1f4h s ILE 305 Ca -0.06 -0.46 -0.21 0.00 0.00 0.00 0.00 60.65 59.92 1f4h s ILE 305 Cb 0.11 -0.62 -0.09 0.00 0.01 0.00 0.00 42.46 41.87 1f4h s ILE 305 CO 0.83 -0.31 1.94 -0.81 0.00 0.00 0.00 174.94 176.59 1f4h n PRO 306 N 4.71 1.84 -2.83 2.79 -0.04 -0.86 -2.43 135.00 138.18 1f4h n PRO 306 Ca 0.07 -2.29 -0.43 0.00 -0.04 0.00 0.00 63.50 60.82 1f4h n PRO 306 Cb 0.50 -3.30 -0.04 0.00 -0.04 0.00 0.00 33.50 30.62 1f4h n PRO 306 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 1f4h s ASN 307 N 5.28 6.61 0.26 3.54 0.01 -1.26 -4.90 114.94 124.49 1f4h s ASN 307 Ca 0.60 0.42 0.08 0.00 -0.71 0.00 0.00 52.86 53.25 1f4h s ASN 307 Cb 0.08 -2.45 -0.04 0.00 0.41 0.00 0.00 41.25 39.25 1f4h s ASN 307 CO 0.10 -0.89 0.10 -0.76 -1.51 0.00 0.00 177.10 174.15 1f4h s LEU 308 N 3.49 3.50 0.37 0.60 1.43 -1.26 -3.81 118.68 123.00 1f4h s LEU 308 Ca 0.37 -0.46 0.03 0.00 -1.03 0.00 0.00 54.13 53.04 1f4h s LEU 308 Cb -0.12 -2.03 -0.04 0.00 0.03 0.00 0.00 46.19 44.04 1f4h s LEU 308 CO 0.20 -0.04 0.10 -0.31 0.23 0.00 0.00 176.35 176.53 1f4h s TYR 309 N -2.24 1.84 -0.12 0.29 1.51 0.31 -4.87 117.35 114.07 1f4h s TYR 309 Ca 0.33 -1.14 0.02 0.00 -1.01 0.00 0.00 57.07 55.27 1f4h s TYR 309 Cb -0.07 -1.20 0.01 0.00 -0.11 0.00 0.00 41.96 40.59 1f4h s TYR 309 CO 0.23 -0.17 -0.19 0.50 -1.11 0.00 0.00 175.55 174.81 1f4h s ARG 310 N -3.81 2.66 -0.20 -0.62 3.52 -0.42 -0.48 118.95 119.59 1f4h s ARG 310 Ca 0.29 -0.72 -0.05 0.00 -0.13 0.00 0.00 55.73 55.12 1f4h s ARG 310 Cb 0.05 -2.18 -0.02 0.00 -1.56 0.00 0.00 34.95 31.24 1f4h s ARG 310 CO 0.14 -0.03 -0.01 0.00 -0.81 0.00 0.00 175.30 174.60 1f4h s ALA 311 N 0.88 2.99 -0.10 6.12 0.00 0.59 -0.51 121.76 131.74 1f4h s ALA 311 Ca -0.07 -1.02 0.00 0.00 0.00 0.00 0.00 51.96 50.87 1f4h s ALA 311 Cb -0.15 -1.76 -0.02 0.00 0.00 0.00 0.00 23.12 21.18 1f4h s ALA 311 CO -0.01 -0.20 -0.09 0.08 0.00 0.00 0.00 175.76 175.53 1f4h s VAL 312 N 1.09 3.44 -0.21 0.00 1.01 0.16 -1.91 120.40 123.97 1f4h s VAL 312 Ca 0.02 -0.55 -0.01 0.00 0.00 0.00 0.00 61.98 61.44 1f4h s VAL 312 Cb -0.14 -2.43 0.01 0.00 0.00 0.00 0.00 36.38 33.82 1f4h s VAL 312 CO 0.01 0.56 -0.11 -0.69 0.00 0.00 0.00 175.10 174.87 1f4h s VAL 313 N -0.24 2.73 -0.06 2.92 1.01 -0.18 -0.66 120.40 125.93 1f4h s VAL 313 Ca 0.02 -0.82 0.05 0.00 0.00 0.00 0.00 61.98 61.24 1f4h s VAL 313 Cb -0.13 -2.26 -0.02 0.00 0.00 0.00 0.00 36.38 33.97 1f4h s VAL 313 CO 0.03 0.40 -0.20 -1.61 0.00 0.00 0.00 175.10 173.72 1f4h s GLU 314 N 1.36 2.54 -0.41 2.72 2.02 0.16 -1.86 118.70 125.24 1f4h s GLU 314 Ca 0.04 -0.81 -0.12 0.00 0.02 0.00 0.00 54.97 54.10 1f4h s GLU 314 Cb -0.14 -2.27 0.04 0.00 0.10 0.00 0.00 34.13 31.86 1f4h s GLU 314 CO -0.07 0.49 0.27 -1.17 0.02 0.00 0.00 175.26 174.79 1f4h s LEU 315 N -0.40 5.04 0.25 1.80 2.96 -0.50 -1.85 118.68 125.98 1f4h s LEU 315 Ca 0.04 -1.14 0.00 0.00 -0.22 0.00 0.00 54.13 52.81 1f4h s LEU 315 Cb -0.12 -2.07 -0.03 0.00 0.50 0.00 0.00 46.19 44.47 1f4h s LEU 315 CO 0.02 -0.47 0.21 -1.38 -1.32 0.00 0.00 176.35 173.41 1f4h s HIS 316 N 1.56 1.27 0.59 5.38 -3.43 -0.80 0.11 115.29 119.97 1f4h s HIS 316 Ca 0.03 -1.41 -0.00 0.00 -0.80 0.00 0.00 55.06 52.88 1f4h s HIS 316 Cb -0.21 -0.52 0.04 0.00 -1.43 0.00 0.00 32.58 30.46 1f4h s HIS 316 CO 0.06 -0.76 0.83 0.95 -2.00 0.00 0.00 174.74 173.83 1f4h s THR 317 N -3.89 2.57 0.28 -5.38 -4.23 0.13 0.24 115.64 105.36 1f4h s THR 317 Ca 0.38 -0.59 0.03 0.00 -1.18 0.00 0.00 61.69 60.33 1f4h s THR 317 Cb 0.05 -2.98 0.06 0.00 1.34 0.00 0.00 72.50 70.96 1f4h s THR 317 CO 0.17 0.00 1.71 0.00 -0.54 0.00 0.00 174.62 175.96 1f4h h ALA 318 N -0.08 1.09 -0.56 3.99 0.00 -1.11 -2.18 119.26 120.40 1f4h h ALA 318 Ca -0.42 -0.36 -0.30 0.00 0.00 0.00 0.00 54.91 53.83 1f4h h ALA 318 Cb 1.30 -0.11 -0.17 0.00 0.00 0.00 0.00 17.79 18.80 1f4h h ALA 318 CO 0.53 0.56 0.38 -0.40 0.00 0.00 0.00 179.25 180.33 1f4h n ASP 319 N -4.11 3.71 0.00 0.00 5.68 -1.26 -4.90 116.55 115.68 1f4h n ASP 319 Ca -0.01 -2.93 0.00 0.00 -0.50 0.00 0.00 54.79 51.35 1f4h n ASP 319 Cb 0.42 -0.72 0.00 0.00 -1.14 0.00 0.00 41.12 39.68 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 -0.38 2.29 3.71 6.12 0.00 -0.82 -5.03 105.19 111.08 1f4h n GLY 320 Ca 0.34 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.93 2.16 -0.27 2.61 2.01 -1.25 -4.68 115.64 113.28 1f4h s THR 321 Ca 0.00 0.01 -0.21 0.00 0.31 0.00 0.00 61.69 61.80 1f4h s THR 321 Cb 0.00 -3.01 -0.01 0.00 0.01 0.00 0.00 72.50 69.49 1f4h s THR 321 CO 0.00 0.00 0.66 -0.22 -0.69 0.00 0.00 174.62 174.37 1f4h s LEU 322 N 1.66 4.09 -0.11 4.42 1.98 -1.26 -0.69 118.68 128.77 1f4h s LEU 322 Ca 0.77 0.65 -0.28 0.00 -2.89 0.00 0.00 54.13 52.38 1f4h s LEU 322 Cb -0.49 -2.89 -0.25 0.00 0.66 0.00 0.00 46.19 43.22 1f4h s LEU 322 CO 0.33 -0.43 0.88 0.40 -1.89 0.00 0.00 176.35 175.64 1f4h h ILE 323 N 5.47 1.69 -1.74 6.68 2.04 0.42 -3.49 117.51 128.59 1f4h h ILE 323 Ca -0.26 -2.12 0.22 0.00 1.00 0.00 0.00 64.86 63.70 1f4h h ILE 323 Cb 1.12 3.13 -0.16 0.00 -0.74 0.00 0.00 36.82 40.16 1f4h h ILE 323 CO 0.80 0.56 0.71 -1.83 0.00 0.00 0.00 178.15 178.39 1f4h s GLU 324 N -2.65 0.51 0.14 2.37 -1.05 -1.13 -4.90 118.70 111.99 1f4h s GLU 324 Ca -0.18 -0.21 0.05 0.00 -0.15 0.00 0.00 54.97 54.48 1f4h s GLU 324 Cb -0.02 0.22 -0.04 0.00 -0.44 0.00 0.00 34.13 33.85 1f4h s GLU 324 CO 0.70 -0.23 -0.12 0.00 0.95 0.00 0.00 175.26 176.56 1f4h s ALA 325 N -2.66 1.54 0.18 -0.84 0.00 0.52 -1.40 121.76 119.11 1f4h s ALA 325 Ca 0.09 -1.43 -0.01 0.00 0.00 0.00 0.00 51.96 50.61 1f4h s ALA 325 Cb -0.00 -0.02 -0.04 0.00 0.00 0.00 0.00 23.12 23.06 1f4h s ALA 325 CO -0.05 0.01 0.12 -1.21 0.00 0.00 0.00 175.76 174.62 1f4h s GLU 326 N -3.27 1.13 0.01 0.00 0.41 -0.78 -1.81 118.70 114.38 1f4h s GLU 326 Ca 0.14 -1.56 -0.29 0.00 -0.41 0.00 0.00 54.97 52.85 1f4h s GLU 326 Cb -0.01 0.27 0.10 0.00 -1.78 0.00 0.00 34.13 32.71 1f4h s GLU 326 CO 0.02 -0.36 0.92 0.00 -0.49 0.00 0.00 175.26 175.36 1f4h s ALA 327 N -4.12 -1.82 0.15 5.21 0.00 -1.26 -1.01 121.76 118.91 1f4h s ALA 327 Ca 0.34 0.93 -0.17 0.00 0.00 0.00 0.00 51.96 53.06 1f4h s ALA 327 Cb 0.07 0.42 0.03 0.00 0.00 0.00 0.00 23.12 23.64 1f4h s ALA 327 CO 0.09 -0.73 0.45 0.00 0.00 0.00 0.00 175.76 175.56 1f4h s ASP 329 N -2.83 7.16 -0.06 0.00 1.01 -1.26 -0.30 116.67 120.40 1f4h s ASP 329 Ca 0.05 1.87 0.05 0.00 0.71 0.00 0.00 52.55 55.23 1f4h s ASP 329 Cb 0.01 -2.58 -0.00 0.00 1.01 0.00 0.00 42.92 41.36 1f4h s ASP 329 CO -0.09 -0.20 -0.20 -0.69 0.21 0.00 0.00 175.17 174.21 1f4h s VAL 330 N -1.68 1.67 -0.14 -1.27 1.01 0.37 -4.80 120.40 115.55 1f4h s VAL 330 Ca 0.53 -0.83 0.00 0.00 0.00 0.00 0.00 61.98 61.68 1f4h s VAL 330 Cb -0.19 -1.43 0.02 0.00 0.00 0.00 0.00 36.38 34.79 1f4h s VAL 330 CO 0.24 0.47 -0.13 -0.83 0.00 0.00 0.00 175.10 174.85 1f4h s GLY 331 N 0.09 1.06 -0.57 4.51 0.00 -1.26 -0.53 107.32 110.62 1f4h s GLY 331 Ca -0.07 -0.82 -0.26 0.00 0.00 0.00 0.00 44.72 43.57 1f4h s GLY 331 CO 0.04 0.57 1.04 -1.36 0.00 0.00 0.00 173.10 173.39 1f4h s PHE 332 N 1.51 2.71 -0.01 1.90 0.40 -1.26 -4.84 117.98 118.39 1f4h s PHE 332 Ca 0.04 0.12 -0.13 0.00 -0.60 0.00 0.00 56.93 56.36 1f4h s PHE 332 Cb -0.13 -4.24 0.02 0.00 0.51 0.00 0.00 43.02 39.18 1f4h s PHE 332 CO -0.10 -1.46 0.28 -0.98 0.70 0.00 0.00 175.22 173.66 1f4h s ARG 333 N 4.34 0.64 -0.14 0.44 1.04 -1.26 -1.72 118.95 122.28 1f4h s ARG 333 Ca 0.34 -0.24 0.01 0.00 -1.04 0.00 0.00 55.73 54.80 1f4h s ARG 333 Cb -0.11 0.28 0.02 0.00 -2.04 0.00 0.00 34.95 33.10 1f4h s ARG 333 CO 0.21 -0.17 -0.15 -2.00 -0.04 0.00 0.00 175.30 173.15 1f4h s GLU 334 N -1.37 2.37 -0.29 3.89 2.12 -1.26 -4.90 118.70 119.25 1f4h s GLU 334 Ca -0.14 -0.59 -0.06 0.00 0.36 0.00 0.00 54.97 54.54 1f4h s GLU 334 Cb -0.06 -2.11 0.01 0.00 0.26 0.00 0.00 34.13 32.24 1f4h s GLU 334 CO 0.04 -0.19 0.06 0.08 -0.54 0.00 0.00 175.26 174.71 1f4h s VAL 335 N 1.34 3.79 -0.07 3.70 1.01 -1.26 -0.73 120.40 128.17 1f4h s VAL 335 Ca 0.02 -0.77 -0.07 0.00 0.00 0.00 0.00 61.98 61.16 1f4h s VAL 335 Cb -0.13 -2.96 0.02 0.00 0.00 0.00 0.00 36.38 33.30 1f4h s VAL 335 CO -0.09 0.08 0.19 -0.60 0.00 0.00 0.00 175.10 174.68 1f4h s ARG 336 N 1.47 0.23 -0.40 2.72 3.52 -0.64 -4.62 118.95 121.22 1f4h s ARG 336 Ca 0.02 0.24 -0.15 0.00 -0.13 0.00 0.00 55.73 55.71 1f4h s ARG 336 Cb -0.17 0.11 0.01 0.00 -1.56 0.00 0.00 34.95 33.34 1f4h s ARG 336 CO 0.01 -0.03 0.29 0.42 -0.81 0.00 0.00 175.30 175.18 1f4h s ILE 337 N 0.04 5.26 -0.18 4.11 1.01 -1.26 -0.68 121.20 129.51 1f4h s ILE 337 Ca -0.01 -0.58 0.00 0.00 0.00 0.00 0.00 60.65 60.07 1f4h s ILE 337 Cb -0.02 -3.89 0.04 0.00 0.01 0.00 0.00 42.46 38.61 1f4h s ILE 337 CO 0.00 -0.25 -0.10 -0.70 0.00 0.00 0.00 174.94 173.89 1f4h s GLU 338 N 1.69 1.97 -0.93 2.79 2.12 0.19 -4.82 118.70 121.71 1f4h s GLU 338 Ca 0.05 -0.70 -0.06 0.00 0.36 0.00 0.00 54.97 54.62 1f4h s GLU 338 Cb -0.19 -2.25 0.01 0.00 0.26 0.00 0.00 34.13 31.96 1f4h s GLU 338 CO 0.10 -0.38 0.75 -1.71 -0.54 0.00 0.00 175.26 173.48 1f4h n ASN 339 N 4.75 -4.93 0.00 -1.70 5.15 -1.26 -2.57 115.26 114.70 1f4h n ASN 339 Ca -0.15 -0.34 0.00 0.00 -0.60 0.00 0.00 54.58 53.49 1f4h n ASN 339 Cb 0.48 -3.55 0.00 0.00 -0.53 0.00 0.00 39.78 36.18 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 -1.49 1.87 3.68 8.20 0.00 -1.25 -5.03 105.19 111.16 1f4h n GLY 340 Ca -0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 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 3.51 -0.46 0.99 1.43 -1.06 -2.62 118.68 120.46 1f4h s LEU 341 Ca 0.00 -0.00 -0.17 0.00 -1.03 0.00 0.00 54.13 52.92 1f4h s LEU 341 Cb 0.00 -2.00 0.05 0.00 0.03 0.00 0.00 46.19 44.26 1f4h s LEU 341 CO 0.00 0.29 0.48 -0.22 0.23 0.00 0.00 176.35 177.12 1f4h s LEU 342 N -1.51 5.10 -0.05 1.79 2.96 -1.26 0.52 118.68 126.23 1f4h s LEU 342 Ca 0.19 -0.92 0.01 0.00 -0.22 0.00 0.00 54.13 53.19 1f4h s LEU 342 Cb -0.11 -2.35 -0.03 0.00 0.50 0.00 0.00 46.19 44.20 1f4h s LEU 342 CO 0.10 -0.69 -0.03 -0.76 -1.32 0.00 0.00 176.35 173.65 1f4h s LEU 343 N 2.14 3.38 -0.13 -0.68 1.43 0.15 -2.39 118.68 122.59 1f4h s LEU 343 Ca 0.11 0.01 0.02 0.00 -1.03 0.00 0.00 54.13 53.25 1f4h s LEU 343 Cb -0.20 -1.83 0.01 0.00 0.03 0.00 0.00 46.19 44.20 1f4h s LEU 343 CO 0.11 0.33 -0.20 -0.22 0.23 0.00 0.00 176.35 176.60 1f4h s LEU 344 N -1.12 2.00 -0.83 1.79 0.20 0.19 -1.62 118.68 119.30 1f4h s LEU 344 Ca 0.15 -0.55 -0.03 0.00 0.69 0.00 0.00 54.13 54.39 1f4h s LEU 344 Cb -0.11 -1.35 0.02 0.00 -0.43 0.00 0.00 46.19 44.32 1f4h s LEU 344 CO 0.05 0.07 0.12 0.59 -0.29 0.00 0.00 176.35 176.88 1f4h n ASN 345 N 4.08 -2.99 0.00 3.68 3.02 0.09 -1.62 115.26 121.51 1f4h n ASN 345 Ca -0.20 0.12 0.00 0.00 -0.03 0.00 0.00 54.58 54.47 1f4h n ASN 345 Cb 0.52 -2.57 0.00 0.00 -0.61 0.00 0.00 39.78 37.12 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 -0.80 2.88 3.93 7.41 0.00 -1.26 -5.02 105.19 112.33 1f4h n GLY 346 Ca -0.07 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.01 3.48 -0.25 1.61 -0.14 -0.64 -4.95 119.74 118.84 1f4h s LYS 347 Ca 0.00 -0.46 -0.21 0.00 -1.36 0.00 0.00 55.97 53.95 1f4h s LYS 347 Cb 0.00 -2.90 -0.02 0.00 -1.68 0.00 0.00 37.83 33.23 1f4h s LYS 347 CO 0.00 0.46 0.65 -1.25 -0.76 0.00 0.00 175.35 174.45 1f4h s PRO 348 N -3.24 4.12 0.72 -1.68 0.04 -1.26 0.57 135.00 134.26 1f4h s PRO 348 Ca 0.37 0.59 -0.15 0.00 0.04 0.00 0.00 61.00 61.85 1f4h s PRO 348 Cb -0.11 -3.65 0.03 0.00 0.04 0.00 0.00 34.50 30.81 1f4h s PRO 348 CO 0.29 -0.41 1.16 -0.51 0.04 0.00 0.00 177.00 177.57 1f4h s LEU 349 N 2.51 3.31 -0.34 -3.56 1.43 -1.00 -4.94 118.68 116.08 1f4h s LEU 349 Ca 0.27 2.19 -0.00 0.00 -1.03 0.00 0.00 54.13 55.56 1f4h s LEU 349 Cb -0.15 -4.57 0.11 0.00 0.03 0.00 0.00 46.19 41.61 1f4h s LEU 349 CO 0.08 -2.07 0.14 -0.22 0.23 0.00 0.00 176.35 174.52 1f4h s LEU 350 N -5.15 1.98 -0.37 1.79 2.96 -1.26 -4.79 118.68 113.84 1f4h s LEU 350 Ca 0.71 -1.86 -0.29 0.00 -0.22 0.00 0.00 54.13 52.47 1f4h s LEU 350 Cb -0.25 -0.78 -0.00 0.00 0.50 0.00 0.00 46.19 45.66 1f4h s LEU 350 CO 0.45 -0.38 1.50 -0.63 -1.32 0.00 0.00 176.35 175.97 1f4h s ILE 351 N 1.36 3.82 -0.91 6.68 -1.09 0.26 -4.94 121.20 126.37 1f4h s ILE 351 Ca 0.12 0.85 -0.02 0.00 -2.23 0.00 0.00 60.65 59.37 1f4h s ILE 351 Cb -0.19 -4.03 0.22 0.00 -1.58 0.00 0.00 42.46 36.88 1f4h s ILE 351 CO -0.18 -0.61 0.81 -0.13 -1.23 0.00 0.00 174.94 173.59 1f4h s ARG 352 N 4.99 3.35 0.25 2.79 0.52 -1.26 -1.82 118.95 127.77 1f4h s ARG 352 Ca 0.66 -3.26 0.03 0.00 -0.52 0.00 0.00 55.73 52.64 1f4h s ARG 352 Cb -0.17 -4.01 -0.01 0.00 0.52 0.00 0.00 34.95 31.28 1f4h s ARG 352 CO 0.32 -1.26 0.12 0.41 0.02 0.00 0.00 175.30 174.90 1f4h n GLY 353 N 2.39 3.49 3.31 -3.53 0.00 -1.10 0.35 105.19 110.10 1f4h n GLY 353 Ca 0.21 -1.98 -0.12 0.00 0.00 0.00 0.00 46.02 44.14 1f4h n GLY 353 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1f4h s VAL 354 N -2.61 0.07 -0.01 1.61 0.11 -0.87 -1.65 120.40 117.04 1f4h s VAL 354 Ca 0.16 -0.55 -0.24 0.00 -2.93 0.00 0.00 61.98 58.42 1f4h s VAL 354 Cb 0.01 -1.05 -0.05 0.00 -1.53 0.00 0.00 36.38 33.76 1f4h s VAL 354 CO 0.12 -0.30 0.74 0.20 -3.33 0.00 0.00 175.10 172.52 1f4h s ASN 355 N -2.36 7.11 -0.03 3.54 0.01 -0.16 -2.70 114.94 120.36 1f4h s ASN 355 Ca -0.02 1.33 -0.03 0.00 -0.71 0.00 0.00 52.86 53.43 1f4h s ASN 355 Cb 0.00 -2.44 0.01 0.00 0.41 0.00 0.00 41.25 39.23 1f4h s ASN 355 CO -0.07 -0.05 0.07 -0.60 -1.51 0.00 0.00 177.10 174.95 1f4h s ARG 356 N 0.34 0.12 0.29 -0.60 3.52 -0.95 -0.61 118.95 121.05 1f4h s ARG 356 Ca 0.38 0.05 0.08 0.00 -0.13 0.00 0.00 55.73 56.11 1f4h s ARG 356 Cb -0.19 0.05 -0.04 0.00 -1.56 0.00 0.00 34.95 33.22 1f4h s ARG 356 CO 0.21 -0.02 0.18 -1.01 -0.81 0.00 0.00 175.30 173.85 1f4h s HIS 357 N -0.09 2.94 -0.53 5.12 3.76 -1.26 -3.45 115.29 121.78 1f4h s HIS 357 Ca -0.01 -0.21 -0.18 0.00 -0.15 0.00 0.00 55.06 54.51 1f4h s HIS 357 Cb -0.01 -1.50 0.09 0.00 1.11 0.00 0.00 32.58 32.27 1f4h s HIS 357 CO 0.00 0.43 0.58 -1.21 -0.85 0.00 0.00 174.74 173.69 1f4h s GLU 358 N -3.85 3.04 -0.05 1.40 2.02 -1.26 -4.97 118.70 115.02 1f4h s GLU 358 Ca 0.35 -1.28 -0.03 0.00 0.02 0.00 0.00 54.97 54.03 1f4h s GLU 358 Cb -0.06 -4.20 0.02 0.00 0.10 0.00 0.00 34.13 29.99 1f4h s GLU 358 CO 0.24 -1.31 0.13 -1.58 0.02 0.00 0.00 175.26 172.76 1f4h s HIS 359 N 2.26 -0.14 -0.19 1.61 2.46 -1.26 -4.57 115.29 115.45 1f4h s HIS 359 Ca 0.09 0.39 -0.04 0.00 0.47 0.00 0.00 55.06 55.97 1f4h s HIS 359 Cb -0.24 -0.03 0.09 0.00 -0.13 0.00 0.00 32.58 32.27 1f4h s HIS 359 CO 0.07 -0.11 0.24 -1.58 -2.47 0.00 0.00 174.74 170.89 1f4h s HIS 360 N 0.62 -0.34 0.40 3.88 2.46 -0.18 -5.01 115.29 117.12 1f4h s HIS 360 Ca -0.05 0.42 0.26 0.00 0.47 0.00 0.00 55.06 56.16 1f4h s HIS 360 Cb -0.06 -0.27 1.39 0.00 -0.13 0.00 0.00 32.58 33.51 1f4h s HIS 360 CO -0.03 -0.55 1.59 -1.00 -2.47 0.00 0.00 174.74 172.28 1f4h h PRO 361 N 8.30 0.04 0.02 2.88 0.13 -1.76 0.78 132.00 142.39 1f4h h PRO 361 Ca -0.16 -0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 64.63 1f4h h PRO 361 Cb 1.14 -0.01 -0.05 0.00 0.13 0.00 0.00 31.00 32.22 1f4h h PRO 361 CO 0.25 0.02 -1.87 1.28 -0.23 0.00 0.00 178.00 177.45 1f4h n LEU 362 N -4.99 2.12 -0.18 1.56 4.77 -1.26 -2.18 117.00 116.85 1f4h n LEU 362 Ca 0.38 0.31 0.13 0.00 -0.03 0.00 0.00 56.01 56.80 1f4h n LEU 362 Cb 1.38 -0.95 0.41 0.00 -2.33 0.00 0.00 43.42 41.94 1f4h n LEU 362 CO 0.10 0.52 0.67 1.41 -1.33 0.00 0.00 177.39 178.77 1f4h n HIS 363 N -4.11 0.00 0.00 -1.77 8.25 -0.76 -5.00 115.22 111.83 1f4h n HIS 363 Ca -0.40 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.06 1f4h n HIS 363 Cb 0.83 -0.16 0.00 0.00 1.12 0.00 0.00 29.99 31.78 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 1.36 1.64 1.58 -1.41 0.00 0.26 -3.45 105.19 105.17 1f4h n GLY 364 Ca 0.11 -0.52 -0.13 0.00 0.00 0.00 0.00 46.02 45.48 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 12.10 2.10 -3.29 1.61 6.02 -1.26 -1.01 117.38 133.65 1f4h n GLN 365 Ca 0.00 -3.22 -0.40 0.00 -0.01 0.00 0.00 57.00 53.37 1f4h n GLN 365 Cb 0.00 -1.97 -0.08 0.00 1.02 0.00 0.00 30.24 29.21 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 -3.46 5.09 0.18 5.09 1.01 -1.22 -4.85 120.40 122.23 1f4h s VAL 366 Ca 0.50 0.57 -0.05 0.00 0.00 0.00 0.00 61.98 63.00 1f4h s VAL 366 Cb 0.43 -3.84 -0.06 0.00 0.00 0.00 0.00 36.38 32.92 1f4h s VAL 366 CO 0.03 -0.00 0.43 -0.04 0.00 0.00 0.00 175.10 175.52 1f4h s MET 367 N 2.26 3.64 0.19 2.72 -1.94 -1.26 -4.81 119.30 120.10 1f4h s MET 367 Ca 0.18 -0.04 0.04 0.00 -1.71 0.00 0.00 55.69 54.17 1f4h s MET 367 Cb -0.16 -2.78 -0.05 0.00 2.01 0.00 0.00 34.83 33.85 1f4h s MET 367 CO 0.11 0.40 -0.06 0.16 -0.01 0.00 0.00 175.02 175.62 1f4h s ASP 368 N -2.59 1.85 0.43 3.03 1.47 -1.26 -5.04 116.67 114.57 1f4h s ASP 368 Ca 0.42 -1.11 0.15 0.00 1.18 0.00 0.00 52.55 53.19 1f4h s ASP 368 Cb -0.12 -0.01 0.96 0.00 -0.34 0.00 0.00 42.92 43.42 1f4h s ASP 368 CO 0.25 -0.41 1.95 -0.08 0.68 0.00 0.00 175.17 177.56 1f4h h GLU 369 N 2.62 0.00 -0.01 2.11 4.81 -2.00 -2.68 114.58 119.43 1f4h h GLU 369 Ca -0.37 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 58.85 1f4h h GLU 369 Cb 1.21 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.59 1f4h h GLU 369 CO 0.64 0.23 -0.02 1.96 -0.73 0.00 0.00 179.01 181.09 1f4h h GLN 370 N 0.00 0.03 -0.00 1.92 1.08 -1.99 -1.65 115.11 114.49 1f4h h GLN 370 Ca -0.00 -0.02 0.02 0.00 -1.45 0.00 0.00 58.65 57.20 1f4h h GLN 370 Cb 0.41 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.82 1f4h h GLN 370 CO 0.03 0.58 -0.15 1.15 -0.95 0.00 0.00 178.83 179.49 1f4h h THR 371 N -0.52 0.64 -0.50 -0.54 2.02 -1.96 0.56 112.91 112.60 1f4h h THR 371 Ca 0.00 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.24 1f4h h THR 371 Cb 0.58 0.64 -0.09 0.00 -1.74 0.00 0.00 68.15 67.53 1f4h h THR 371 CO 0.00 0.00 -0.54 0.24 0.37 0.00 0.00 175.52 175.60 1f4h h MET 372 N -0.25 -0.31 -0.52 6.66 2.86 -1.46 0.75 114.93 122.65 1f4h h MET 372 Ca 0.05 0.02 0.10 0.00 -2.06 0.00 0.00 59.70 57.81 1f4h h MET 372 Cb 0.31 0.07 -0.08 0.00 0.06 0.00 0.00 31.60 31.96 1f4h h MET 372 CO -0.15 -0.21 0.05 0.28 1.06 0.00 0.00 176.91 177.95 1f4h h VAL 373 N -0.32 0.64 0.15 -2.22 2.07 -1.02 -1.22 116.25 114.33 1f4h h VAL 373 Ca 0.10 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.57 1f4h h VAL 373 Cb 0.57 0.45 -0.02 0.00 -1.52 0.00 0.00 31.29 30.77 1f4h h VAL 373 CO -0.65 0.03 -0.29 -0.61 0.02 0.00 0.00 177.57 176.07 1f4h h GLN 374 N 0.17 -0.46 -0.90 1.57 4.15 0.11 -1.15 115.11 118.60 1f4h h GLN 374 Ca 0.26 0.03 0.13 0.00 0.77 0.00 0.00 58.65 59.85 1f4h h GLN 374 Cb 0.39 0.11 -0.14 0.00 0.21 0.00 0.00 27.48 28.04 1f4h h GLN 374 CO -0.39 -0.31 -0.42 -0.44 -1.93 0.00 0.00 178.83 175.34 1f4h h ASP 375 N -0.48 -1.53 -0.09 -0.69 3.32 -0.43 -1.60 116.42 114.91 1f4h h ASP 375 Ca -0.02 0.30 0.04 0.00 0.02 0.00 0.00 57.03 57.37 1f4h h ASP 375 Cb 0.45 0.76 -0.06 0.00 0.22 0.00 0.00 39.33 40.71 1f4h h ASP 375 CO -0.11 -0.29 -0.28 0.40 -1.72 0.00 0.00 179.24 177.24 1f4h h ILE 376 N -0.05 0.35 -0.65 0.35 2.04 -0.75 -0.08 117.51 118.73 1f4h h ILE 376 Ca 0.28 0.00 0.12 0.00 1.00 0.00 0.00 64.86 66.27 1f4h h ILE 376 Cb 0.56 0.35 -0.04 0.00 -0.74 0.00 0.00 36.82 36.95 1f4h h ILE 376 CO -0.91 0.00 0.44 -0.07 0.00 0.00 0.00 178.15 177.61 1f4h h LEU 377 N -0.38 0.33 -0.23 1.44 3.38 -0.31 0.80 115.31 120.35 1f4h h LEU 377 Ca 0.09 0.01 -0.06 0.00 0.09 0.00 0.00 57.88 58.02 1f4h h LEU 377 Cb 0.51 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 1f4h h LEU 377 CO -0.31 0.19 -0.07 -0.07 0.09 0.00 0.00 178.44 178.27 1f4h h LEU 378 N 0.36 0.46 0.40 1.67 3.38 -0.46 -0.85 115.31 120.27 1f4h h LEU 378 Ca 0.31 -0.38 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 1f4h h LEU 378 Cb 0.72 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 1f4h h LEU 378 CO -0.08 0.74 -0.28 0.24 0.09 0.00 0.00 178.44 179.14 1f4h h MET 379 N 0.17 -0.64 -0.89 1.13 2.86 0.30 -1.45 114.93 116.41 1f4h h MET 379 Ca 0.05 0.04 0.24 0.00 -2.06 0.00 0.00 59.70 57.98 1f4h h MET 379 Cb 0.55 0.15 -0.05 0.00 0.06 0.00 0.00 31.60 32.30 1f4h h MET 379 CO 0.03 -0.43 0.62 0.87 1.06 0.00 0.00 176.91 179.06 1f4h h LYS 380 N -0.67 0.15 0.00 1.72 1.57 0.68 0.81 116.57 120.84 1f4h h LYS 380 Ca -0.04 -0.01 -0.07 0.00 -1.87 0.00 0.00 60.65 58.67 1f4h h LYS 380 Cb 0.57 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.83 1f4h h LYS 380 CO 0.02 0.10 -0.31 1.96 -0.57 0.00 0.00 179.45 180.65 1f4h h GLN 381 N 0.16 0.00 -0.53 3.15 4.20 -0.68 -3.18 115.11 118.23 1f4h h GLN 381 Ca 0.45 0.00 -0.24 0.00 0.06 0.00 0.00 58.65 58.91 1f4h h GLN 381 Cb 1.50 0.00 -0.14 0.00 0.30 0.00 0.00 27.48 29.13 1f4h h GLN 381 CO -0.08 0.31 0.13 0.09 -0.67 0.00 0.00 178.83 178.61 1f4h n ASN 382 N -3.27 3.14 -0.48 1.46 3.02 0.28 -4.95 115.26 114.46 1f4h n ASN 382 Ca 0.02 -3.60 -0.06 0.00 -0.03 0.00 0.00 54.58 50.90 1f4h n ASN 382 Cb 0.58 -0.68 -0.03 0.00 -0.61 0.00 0.00 39.78 39.04 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 -0.98 -4.21 -4.77 6.41 3.02 -1.02 -4.11 115.26 109.59 1f4h n ASN 383 Ca 0.39 0.15 -0.38 0.00 -0.03 0.00 0.00 54.58 54.71 1f4h n ASN 383 Cb 1.20 -2.26 -0.06 0.00 -0.61 0.00 0.00 39.78 38.05 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 -2.08 3.76 -0.05 3.10 0.40 -0.90 -4.79 117.98 117.42 1f4h s PHE 384 Ca 0.00 1.82 0.01 0.00 -0.60 0.00 0.00 56.93 58.16 1f4h s PHE 384 Cb 0.00 -2.97 -0.04 0.00 0.51 0.00 0.00 43.02 40.52 1f4h s PHE 384 CO 0.00 0.21 -0.03 0.09 0.70 0.00 0.00 175.22 176.19 1f4h n ASN 385 N 0.84 3.67 -4.13 1.36 5.03 0.15 -4.43 115.26 117.75 1f4h n ASN 385 Ca 0.01 -0.02 -0.09 0.00 0.87 0.00 0.00 54.58 55.35 1f4h n ASN 385 Cb 0.49 0.07 -0.10 0.00 -1.02 0.00 0.00 39.78 39.22 1f4h n ASN 385 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1f4h s ALA 386 N -2.11 0.75 0.00 5.41 0.00 -1.13 -0.88 121.76 123.80 1f4h s ALA 386 Ca -0.06 -1.30 -0.10 0.00 0.00 0.00 0.00 51.96 50.50 1f4h s ALA 386 Cb 0.02 0.30 0.01 0.00 0.00 0.00 0.00 23.12 23.45 1f4h s ALA 386 CO 0.14 -0.33 0.19 0.54 0.00 0.00 0.00 175.76 176.29 1f4h s VAL 387 N -3.82 0.08 -0.14 0.00 0.11 0.82 -2.06 120.40 115.39 1f4h s VAL 387 Ca 0.11 -0.65 -0.03 0.00 -2.93 0.00 0.00 61.98 58.48 1f4h s VAL 387 Cb 0.07 -0.52 -0.03 0.00 -1.53 0.00 0.00 36.38 34.37 1f4h s VAL 387 CO -0.06 -0.36 -0.06 -0.60 -3.33 0.00 0.00 175.10 170.69 1f4h s ARG 388 N -1.47 3.55 -1.49 1.54 3.52 -1.10 -0.82 118.95 122.68 1f4h s ARG 388 Ca -0.14 -0.55 -0.10 0.00 -0.13 0.00 0.00 55.73 54.81 1f4h s ARG 388 Cb -0.06 -2.84 0.01 0.00 -1.56 0.00 0.00 34.95 30.50 1f4h s ARG 388 CO 0.02 0.27 2.59 0.00 -0.81 0.00 0.00 175.30 177.37 1f4h s SER 390 N 1.84 6.37 -0.35 0.00 1.04 -1.22 0.09 113.70 121.47 1f4h s SER 390 Ca 0.59 1.40 0.15 0.00 0.48 0.00 0.00 55.95 58.57 1f4h s SER 390 Cb 0.17 -2.53 0.44 0.00 0.10 0.00 0.00 66.02 64.19 1f4h s SER 390 CO -0.07 -1.30 0.96 1.41 0.98 0.00 0.00 173.24 175.22 1f4h n HIS 391 N 8.56 1.54 -3.62 5.02 -0.00 -1.26 -4.04 115.22 121.41 1f4h n HIS 391 Ca 0.18 -2.94 -0.05 0.00 -0.00 0.00 0.00 57.72 54.91 1f4h n HIS 391 Cb 0.46 -0.33 -0.02 0.00 -0.00 0.00 0.00 29.99 30.10 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 -3.15 -0.20 0.29 4.41 -0.85 0.11 -4.08 117.35 113.87 1f4h s TYR 392 Ca 0.32 0.02 -0.30 0.00 -0.52 0.00 0.00 57.07 56.59 1f4h s TYR 392 Cb 0.44 0.57 -0.11 0.00 0.38 0.00 0.00 41.96 43.24 1f4h s TYR 392 CO -0.01 -0.57 1.55 -2.14 -1.52 0.00 0.00 175.55 172.86 1f4h s PRO 393 N -3.00 4.16 0.55 -3.49 0.02 -0.52 -4.59 135.00 128.13 1f4h s PRO 393 Ca 0.09 2.50 -0.00 0.00 0.02 0.00 0.00 61.00 63.61 1f4h s PRO 393 Cb -0.00 -3.04 0.03 0.00 0.02 0.00 0.00 34.50 31.50 1f4h s PRO 393 CO -0.04 -0.57 0.79 -0.80 -0.33 0.00 0.00 177.00 176.05 1f4h s ASN 394 N 0.42 5.37 0.39 2.53 0.02 -1.26 -4.80 114.94 117.61 1f4h s ASN 394 Ca 0.62 0.16 -0.24 0.00 -1.02 0.00 0.00 52.86 52.37 1f4h s ASN 394 Cb -0.46 -1.10 -0.13 0.00 0.02 0.00 0.00 41.25 39.58 1f4h s ASN 394 CO 0.48 -1.09 0.71 1.57 0.02 0.00 0.00 177.10 178.79 1f4h n HIS 395 N -2.37 0.12 -0.29 2.20 -0.00 -1.26 -4.82 115.22 108.81 1f4h n HIS 395 Ca 0.06 0.63 0.07 0.00 -0.00 0.00 0.00 57.72 58.48 1f4h n HIS 395 Cb 0.59 -2.08 0.29 0.00 -0.00 0.00 0.00 29.99 28.80 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 1.13 0.87 -0.14 1.57 0.11 -1.96 -2.90 132.00 130.69 1f4h h PRO 396 Ca -0.40 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 65.63 1f4h h PRO 396 Cb 1.38 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 1f4h h PRO 396 CO 0.54 0.58 -0.02 1.25 -0.21 0.00 0.00 178.00 180.14 1f4h h LEU 397 N 0.90 0.18 -1.00 2.35 5.85 -2.01 -3.21 115.31 118.37 1f4h h LEU 397 Ca 0.41 -0.02 0.14 0.00 0.84 0.00 0.00 57.88 59.25 1f4h h LEU 397 Cb 0.39 -0.05 -0.15 0.00 0.37 0.00 0.00 40.66 41.22 1f4h h LEU 397 CO -0.18 0.24 -0.45 1.87 -0.34 0.00 0.00 178.44 179.59 1f4h n TRP 398 N -4.40 -0.11 -0.23 1.25 -0.00 -1.09 -0.72 117.44 112.14 1f4h n TRP 398 Ca -0.01 1.24 -0.02 0.00 -0.00 0.00 0.00 57.50 58.70 1f4h n TRP 398 Cb 0.17 -0.79 0.09 0.00 -0.00 0.00 0.00 31.31 30.78 1f4h n TRP 398 CO 0.00 0.00 0.00 1.88 -0.00 0.00 0.00 177.69 179.57 1f4h h TYR 399 N 0.00 0.73 -0.57 5.87 -1.99 -1.76 -0.92 116.97 118.33 1f4h h TYR 399 Ca 0.29 0.02 -0.05 0.00 2.00 0.00 0.00 58.73 60.99 1f4h h TYR 399 Cb 0.54 -0.23 -0.03 0.00 2.00 0.00 0.00 36.73 39.02 1f4h h TYR 399 CO -0.92 0.38 0.14 1.15 -0.00 0.00 0.00 178.16 178.91 1f4h h THR 400 N 0.75 1.23 -0.02 -2.88 2.02 -1.05 0.34 112.91 113.30 1f4h h THR 400 Ca 0.29 -0.84 -0.01 0.00 0.77 0.00 0.00 66.41 66.62 1f4h h THR 400 Cb 0.11 0.65 -0.00 0.00 -1.74 0.00 0.00 68.15 67.17 1f4h h THR 400 CO -0.15 0.32 -0.01 -0.07 0.37 0.00 0.00 175.52 175.98 1f4h h LEU 401 N 0.84 0.04 -0.72 2.58 3.38 -0.01 -0.94 115.31 120.47 1f4h h LEU 401 Ca 0.18 -0.42 0.10 0.00 0.09 0.00 0.00 57.88 57.84 1f4h h LEU 401 Cb 0.31 -0.01 -0.07 0.00 0.09 0.00 0.00 40.66 40.97 1f4h h LEU 401 CO -0.00 0.45 0.35 0.00 0.09 0.00 0.00 178.44 179.33 1f4h h ASP 403 N 0.59 -0.76 -0.29 0.00 3.32 -0.85 0.39 116.42 118.83 1f4h h ASP 403 Ca 0.36 0.09 -0.07 0.00 0.02 0.00 0.00 57.03 57.44 1f4h h ASP 403 Cb 0.40 0.30 -0.01 0.00 0.22 0.00 0.00 39.33 40.24 1f4h h ASP 403 CO -0.28 -0.34 -0.08 0.03 -1.72 0.00 0.00 179.24 176.84 1f4h h ARG 404 N -0.44 0.56 0.00 3.56 -0.00 -0.54 -3.35 114.38 114.17 1f4h h ARG 404 Ca 0.04 -0.22 -0.21 0.00 -0.50 0.00 0.00 59.98 59.09 1f4h h ARG 404 Cb 0.49 -0.03 -0.04 0.00 0.00 0.00 0.00 29.97 30.40 1f4h h ARG 404 CO -0.18 0.77 -1.43 1.88 0.00 0.00 0.00 179.97 181.01 1f4h h TYR 405 N 0.32 0.00 0.00 3.04 -1.99 0.20 -3.44 116.97 115.10 1f4h h TYR 405 Ca 0.07 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.80 1f4h h TYR 405 Cb 0.57 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.30 1f4h h TYR 405 CO 0.05 0.74 0.00 0.41 -0.00 0.00 0.00 178.16 179.36 1f4h n GLY 406 N 1.43 0.67 3.11 3.88 0.00 0.13 -4.81 105.19 109.61 1f4h n GLY 406 Ca -0.11 -0.22 -0.26 0.00 0.00 0.00 0.00 46.02 45.44 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 1.86 0.04 0.99 1.43 -0.67 -4.22 118.68 118.11 1f4h s LEU 407 Ca 0.00 -0.35 -0.30 0.00 -1.03 0.00 0.00 54.13 52.44 1f4h s LEU 407 Cb 0.00 -0.96 -0.06 0.00 0.03 0.00 0.00 46.19 45.20 1f4h s LEU 407 CO 0.00 0.12 1.38 -0.31 0.23 0.00 0.00 176.35 177.77 1f4h s TYR 408 N 0.22 3.00 0.00 0.29 1.51 -0.06 -4.62 117.35 117.69 1f4h s TYR 408 Ca -0.08 0.89 0.04 0.00 -1.01 0.00 0.00 57.07 56.91 1f4h s TYR 408 Cb -0.13 -3.65 -0.03 0.00 -0.11 0.00 0.00 41.96 38.04 1f4h s TYR 408 CO 0.03 -2.34 -0.08 0.08 -1.11 0.00 0.00 175.55 172.12 1f4h s VAL 409 N 1.95 3.52 -0.55 0.71 1.01 -0.22 -0.12 120.40 126.69 1f4h s VAL 409 Ca 0.64 -0.82 -0.09 0.00 0.00 0.00 0.00 61.98 61.71 1f4h s VAL 409 Cb -0.33 -2.52 0.14 0.00 0.00 0.00 0.00 36.38 33.68 1f4h s VAL 409 CO 0.28 0.40 0.43 -0.69 0.00 0.00 0.00 175.10 175.51 1f4h s VAL 410 N -0.97 4.31 -0.11 2.92 1.01 -0.00 -1.87 120.40 125.69 1f4h s VAL 410 Ca 0.16 -2.13 -0.30 0.00 0.00 0.00 0.00 61.98 59.72 1f4h s VAL 410 Cb -0.11 -3.81 -0.03 0.00 0.00 0.00 0.00 36.38 32.44 1f4h s VAL 410 CO 0.07 -0.83 1.29 -0.62 0.00 0.00 0.00 175.10 175.00 1f4h s ASP 411 N 2.20 6.94 -0.06 3.32 2.15 -0.06 -2.28 116.67 128.88 1f4h s ASP 411 Ca 0.10 1.81 0.05 0.00 0.43 0.00 0.00 52.55 54.94 1f4h s ASP 411 Cb -0.23 -2.55 -0.01 0.00 -0.30 0.00 0.00 42.92 39.84 1f4h s ASP 411 CO -0.03 -0.72 -0.23 -0.70 -0.17 0.00 0.00 175.17 173.33 1f4h s GLU 412 N 3.05 2.63 0.47 4.34 2.12 -1.26 -1.47 118.70 128.57 1f4h s GLU 412 Ca 0.57 -0.87 -0.23 0.00 0.36 0.00 0.00 54.97 54.80 1f4h s GLU 412 Cb -0.24 -2.22 -0.07 0.00 0.26 0.00 0.00 34.13 31.85 1f4h s GLU 412 CO 0.19 0.38 1.22 0.00 -0.54 0.00 0.00 175.26 176.51 1f4h s ALA 413 N -0.16 2.97 -1.43 6.30 0.00 -1.11 -1.44 121.76 126.90 1f4h s ALA 413 Ca -0.03 1.04 -0.15 0.00 0.00 0.00 0.00 51.96 52.83 1f4h s ALA 413 Cb -0.14 -3.43 0.04 0.00 0.00 0.00 0.00 23.12 19.59 1f4h s ALA 413 CO 0.04 -0.82 2.19 -1.71 0.00 0.00 0.00 175.76 175.46 1f4h n ASN 414 N -0.52 3.90 -3.64 0.00 5.15 -1.26 -3.68 115.26 115.20 1f4h n ASN 414 Ca 0.07 -2.84 -0.27 0.00 -0.60 0.00 0.00 54.58 50.94 1f4h n ASN 414 Cb 0.47 -1.65 -0.16 0.00 -0.53 0.00 0.00 39.78 37.91 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 3.34 0.12 -0.17 -1.44 1.01 -1.26 -4.79 121.20 118.01 1f4h s ILE 415 Ca 0.48 -0.42 -0.05 0.00 0.00 0.00 0.00 60.65 60.66 1f4h s ILE 415 Cb 0.13 -0.81 0.06 0.00 0.01 0.00 0.00 42.46 41.86 1f4h s ILE 415 CO -0.07 -0.35 0.11 -0.70 0.00 0.00 0.00 174.94 173.93 1f4h s GLU 416 N 2.03 0.08 -0.41 2.79 2.12 0.54 -1.18 118.70 124.68 1f4h s GLU 416 Ca 0.03 -0.03 0.04 0.00 0.36 0.00 0.00 54.97 55.37 1f4h s GLU 416 Cb -0.16 -1.71 0.47 0.00 0.26 0.00 0.00 34.13 32.98 1f4h s GLU 416 CO -0.14 -0.66 1.51 0.25 -0.54 0.00 0.00 175.26 175.68 1f4h n THR 417 N 5.29 2.89 -0.37 -1.70 -2.24 -1.23 0.41 114.28 117.32 1f4h n THR 417 Ca -0.07 -3.53 0.01 0.00 -2.27 0.00 0.00 64.05 58.20 1f4h n THR 417 Cb 0.49 -0.99 0.07 0.00 -2.10 0.00 0.00 70.33 67.81 1f4h n THR 417 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 1f4h n HIS 418 N -0.86 0.14 0.37 4.78 -0.00 -0.84 -2.62 115.22 116.19 1f4h n HIS 418 Ca 0.48 1.21 0.00 0.00 -0.00 0.00 0.00 57.72 59.41 1f4h n HIS 418 Cb 0.89 -0.94 0.00 0.00 -0.00 0.00 0.00 29.99 29.95 1f4h n HIS 418 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1f4h n GLY 419 N -1.52 1.27 3.66 1.57 0.00 -1.24 -4.77 105.19 104.16 1f4h n GLY 419 Ca 0.12 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.91 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 0.52 2.36 -0.25 1.61 -1.94 -1.08 -4.82 119.30 115.71 1f4h s MET 420 Ca 0.00 -1.35 0.01 0.00 -1.71 0.00 0.00 55.69 52.65 1f4h s MET 420 Cb 0.00 -2.22 0.06 0.00 2.01 0.00 0.00 34.83 34.68 1f4h s MET 420 CO 0.00 0.38 -0.05 0.08 -0.01 0.00 0.00 175.02 175.41 1f4h s VAL 421 N -2.23 1.71 1.11 -6.03 1.01 -1.26 -2.64 120.40 112.06 1f4h s VAL 421 Ca 0.31 -1.40 -0.19 0.00 0.00 0.00 0.00 61.98 60.70 1f4h s VAL 421 Cb -0.07 -1.96 0.26 0.00 0.00 0.00 0.00 36.38 34.61 1f4h s VAL 421 CO 0.20 -0.14 1.24 -2.84 0.00 0.00 0.00 175.10 173.57 1f4h s PRO 422 N 1.30 -0.51 0.55 2.72 0.01 -1.26 -4.86 135.00 132.94 1f4h s PRO 422 Ca -0.05 -0.36 0.28 0.00 0.01 0.00 0.00 61.00 60.88 1f4h s PRO 422 Cb -0.19 -1.71 1.58 0.00 0.01 0.00 0.00 34.50 34.19 1f4h s PRO 422 CO -0.07 -3.19 2.13 1.98 0.01 0.00 0.00 177.00 177.87 1f4h h MET 423 N -2.20 0.00 0.00 5.54 4.05 -1.81 -2.72 114.93 117.79 1f4h h MET 423 Ca -0.43 0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 58.98 1f4h h MET 423 Cb 1.25 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 32.05 1f4h h MET 423 CO 0.31 0.08 -0.09 -0.97 0.23 0.00 0.00 176.91 176.47 1f4h h ASN 424 N 0.00 0.00 -0.70 1.39 -0.00 -1.86 -3.37 115.58 111.04 1f4h h ASN 424 Ca -0.00 0.00 0.21 0.00 -0.00 0.00 0.00 56.30 56.51 1f4h h ASN 424 Cb 0.23 0.00 -0.13 0.00 -0.00 0.00 0.00 38.32 38.43 1f4h h ASN 424 CO 0.01 0.03 0.08 -1.14 -0.00 0.00 0.00 177.43 176.41 1f4h n ARG 425 N -3.08 -0.05 -0.04 6.67 0.63 -1.03 -0.03 116.66 119.73 1f4h n ARG 425 Ca 0.04 1.03 -0.21 0.00 -0.92 0.00 0.00 57.85 57.79 1f4h n ARG 425 Cb 0.54 -1.67 -0.13 0.00 0.45 0.00 0.00 32.46 31.65 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 -4.88 2.64 0.19 6.15 4.77 -1.26 -4.01 117.00 120.59 1f4h n LEU 426 Ca 0.18 0.15 0.13 0.00 -0.03 0.00 0.00 56.01 56.45 1f4h n LEU 426 Cb 0.60 -1.06 0.67 0.00 -2.33 0.00 0.00 43.42 41.30 1f4h n LEU 426 CO -0.04 0.82 0.89 0.71 -1.33 0.00 0.00 177.39 178.44 1f4h h THR 427 N -0.06 0.00 -0.34 -5.08 1.35 -1.55 0.25 112.91 107.48 1f4h h THR 427 Ca -0.46 -0.07 0.00 0.00 -0.55 0.00 0.00 66.41 65.33 1f4h h THR 427 Cb 1.94 0.69 0.00 0.00 -1.73 0.00 0.00 68.15 69.05 1f4h h THR 427 CO 0.01 0.00 0.00 -0.67 -0.25 0.00 0.00 175.52 174.61 1f4h n ASP 428 N -2.41 3.48 -4.14 5.36 2.03 0.96 -2.21 116.55 119.63 1f4h n ASP 428 Ca -0.01 -2.44 -0.34 0.00 0.52 0.00 0.00 54.79 52.52 1f4h n ASP 428 Cb 0.09 -0.39 -0.14 0.00 -0.72 0.00 0.00 41.12 39.96 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 -1.36 4.81 0.39 1.67 -1.08 0.87 -4.69 116.67 117.29 1f4h s ASP 429 Ca 0.33 -1.38 0.25 0.00 -0.52 0.00 0.00 52.55 51.23 1f4h s ASP 429 Cb 0.23 -1.68 1.38 0.00 -1.46 0.00 0.00 42.92 41.39 1f4h s ASP 429 CO 0.14 -0.27 1.59 1.55 0.52 0.00 0.00 175.17 178.70 1f4h h PRO 430 N 7.94 0.02 0.00 4.34 0.14 -1.92 1.16 132.00 143.68 1f4h h PRO 430 Ca -0.19 -0.00 -0.01 0.00 0.14 0.00 0.00 66.00 65.93 1f4h h PRO 430 Cb 1.05 -0.01 -0.00 0.00 0.14 0.00 0.00 31.00 32.19 1f4h h PRO 430 CO 0.53 0.02 -0.05 0.00 0.14 0.00 0.00 178.00 178.63 1f4h h ARG 431 N 0.02 0.00 -0.01 0.86 3.08 -1.93 0.47 114.38 116.87 1f4h h ARG 431 Ca 0.85 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.90 1f4h h ARG 431 Cb 2.41 0.00 0.00 0.00 0.08 0.00 0.00 29.97 32.46 1f4h h ARG 431 CO -0.65 0.05 -0.07 0.91 -1.07 0.00 0.00 179.97 179.14 1f4h n TRP 432 N -3.64 0.00 0.21 3.04 7.02 0.40 -4.33 117.44 120.13 1f4h n TRP 432 Ca -0.02 0.00 -0.13 0.00 -1.02 0.00 0.00 57.50 56.32 1f4h n TRP 432 Cb 0.15 -0.04 -0.07 0.00 -2.42 0.00 0.00 31.31 28.93 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 1.95 -1.05 -0.61 -0.99 5.85 -0.75 -2.20 115.31 117.51 1f4h h LEU 433 Ca 0.00 0.09 0.12 0.00 0.84 0.00 0.00 57.88 58.93 1f4h h LEU 433 Cb 0.48 0.35 -0.12 0.00 0.37 0.00 0.00 40.66 41.75 1f4h h LEU 433 CO 0.00 -0.49 -0.20 -0.65 -0.34 0.00 0.00 178.44 176.75 1f4h h PRO 434 N -0.74 -0.05 0.08 5.25 0.11 -1.75 0.39 132.00 135.29 1f4h h PRO 434 Ca -0.04 0.00 0.02 0.00 0.11 0.00 0.00 66.00 66.09 1f4h h PRO 434 Cb 0.65 0.01 -0.03 0.00 0.11 0.00 0.00 31.00 31.73 1f4h h PRO 434 CO -0.06 -0.03 -0.24 0.00 -0.21 0.00 0.00 178.00 177.46 1f4h h ALA 435 N 1.45 -0.37 -0.43 -0.75 0.00 -1.74 -1.34 119.26 116.08 1f4h h ALA 435 Ca 0.28 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.17 1f4h h ALA 435 Cb 0.49 0.39 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 1f4h h ALA 435 CO -0.65 -0.76 0.26 0.52 0.00 0.00 0.00 179.25 178.62 1f4h h MET 436 N -0.41 0.57 -0.97 0.00 2.86 -1.01 -2.50 114.93 113.47 1f4h h MET 436 Ca 0.04 -0.05 0.18 0.00 -2.06 0.00 0.00 59.70 57.81 1f4h h MET 436 Cb 0.46 -0.12 -0.18 0.00 0.06 0.00 0.00 31.60 31.82 1f4h h MET 436 CO -0.16 0.42 -0.29 1.03 1.06 0.00 0.00 176.91 178.97 1f4h h SER 437 N 0.56 -1.08 0.42 1.22 0.87 0.83 1.31 113.55 117.69 1f4h h SER 437 Ca 0.15 0.30 0.00 0.00 -1.23 0.00 0.00 61.79 61.01 1f4h h SER 437 Cb -0.02 0.65 0.00 0.00 -0.44 0.00 0.00 62.40 62.60 1f4h h SER 437 CO -0.03 -0.31 0.00 -0.62 -0.53 0.00 0.00 176.83 175.34 1f4h n GLU 438 N -5.57 0.19 0.08 2.24 1.02 -0.66 -0.99 120.64 116.95 1f4h n GLU 438 Ca 0.13 0.13 0.11 0.00 -0.02 0.00 0.00 57.16 57.52 1f4h n GLU 438 Cb 0.46 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.38 1f4h n GLU 438 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1f4h n ARG 439 N -1.35 0.55 -0.06 3.49 1.74 0.45 -3.33 116.66 118.16 1f4h n ARG 439 Ca 0.07 0.08 -0.03 0.00 -0.77 0.00 0.00 57.85 57.21 1f4h n ARG 439 Cb 0.16 -1.77 -0.01 0.00 -1.02 0.00 0.00 32.46 29.83 1f4h n ARG 439 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1f4h h VAL 440 N 0.00 0.00 -0.48 1.55 2.07 -0.72 -3.25 116.25 115.42 1f4h h VAL 440 Ca 0.00 -0.99 0.10 0.00 0.82 0.00 0.00 66.70 66.63 1f4h h VAL 440 Cb 0.95 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 30.63 1f4h h VAL 440 CO 0.00 0.00 -0.11 0.71 0.02 0.00 0.00 177.57 178.19 1f4h h THR 441 N -0.99 0.53 -0.17 2.57 1.35 -1.24 -0.93 112.91 114.03 1f4h h THR 441 Ca 0.00 -0.00 -0.12 0.00 -0.55 0.00 0.00 66.41 65.73 1f4h h THR 441 Cb 0.28 0.52 -0.01 0.00 -1.73 0.00 0.00 68.15 67.21 1f4h h THR 441 CO 0.00 0.00 -0.42 0.03 -0.25 0.00 0.00 175.52 174.88 1f4h h ARG 442 N 0.01 0.40 0.08 4.72 3.08 -1.76 -0.67 114.38 120.25 1f4h h ARG 442 Ca 0.23 -0.20 -0.00 0.00 0.07 0.00 0.00 59.98 60.07 1f4h h ARG 442 Cb 0.35 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.41 1f4h h ARG 442 CO -0.49 0.76 -0.04 1.98 -1.07 0.00 0.00 179.97 181.11 1f4h h MET 443 N 0.33 -0.10 -0.32 0.04 4.05 -1.45 -1.90 114.93 115.57 1f4h h MET 443 Ca 0.03 0.01 0.06 0.00 -0.28 0.00 0.00 59.70 59.52 1f4h h MET 443 Cb 0.88 0.02 -0.06 0.00 -0.80 0.00 0.00 31.60 31.65 1f4h h MET 443 CO 0.07 0.06 -0.03 0.28 0.23 0.00 0.00 176.91 177.52 1f4h h VAL 444 N -0.25 0.72 0.00 -5.77 2.07 -0.87 -1.32 116.25 110.83 1f4h h VAL 444 Ca -0.01 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.49 1f4h h VAL 444 Cb 0.21 0.67 0.00 0.00 -1.52 0.00 0.00 31.29 30.65 1f4h h VAL 444 CO 0.02 0.01 0.00 0.00 0.02 0.00 0.00 177.57 177.62 1f4h n GLN 445 N -5.21 0.09 -0.11 1.57 10.64 -0.28 -1.50 117.38 122.58 1f4h n GLN 445 Ca 0.01 0.46 -0.17 0.00 -1.83 0.00 0.00 57.00 55.47 1f4h n GLN 445 Cb 0.18 -1.72 -0.13 0.00 -0.86 0.00 0.00 30.24 27.71 1f4h n GLN 445 CO 0.00 0.00 0.00 -2.13 -1.83 0.00 0.00 177.06 173.10 1f4h n ARG 446 N -1.90 0.67 0.00 2.61 0.63 -0.65 -2.72 116.66 115.29 1f4h n ARG 446 Ca 0.01 0.14 0.11 0.00 -0.92 0.00 0.00 57.85 57.18 1f4h n ARG 446 Cb 0.11 -1.54 -0.03 0.00 0.45 0.00 0.00 32.46 31.45 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 -3.20 1.66 0.12 6.15 8.00 -0.59 -4.25 116.55 124.45 1f4h n ASP 447 Ca -0.42 -1.32 0.08 0.00 0.71 0.00 0.00 54.79 53.84 1f4h n ASP 447 Cb 1.02 0.63 0.43 0.00 -0.02 0.00 0.00 41.12 43.18 1f4h n ASP 447 CO 0.00 0.00 0.00 -2.11 -0.39 0.00 0.00 177.20 174.70 1f4h n ARG 448 N -0.52 0.10 0.01 -1.24 1.85 -0.56 -2.44 116.66 113.87 1f4h n ARG 448 Ca 0.08 0.60 0.11 0.00 -1.00 0.00 0.00 57.85 57.64 1f4h n ARG 448 Cb 0.42 -1.84 0.12 0.00 -1.05 0.00 0.00 32.46 30.11 1f4h n ARG 448 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 1f4h n ASN 449 N -2.05 0.63 -4.74 2.89 3.02 -1.26 -4.90 115.26 108.85 1f4h n ASN 449 Ca -0.01 -0.30 -0.41 0.00 -0.03 0.00 0.00 54.58 53.83 1f4h n ASN 449 Cb 0.03 0.50 -0.04 0.00 -0.61 0.00 0.00 39.78 39.66 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 -3.08 3.59 -0.87 3.10 3.76 -1.02 -4.83 115.29 115.95 1f4h s HIS 450 Ca 0.08 1.60 0.27 0.00 -0.15 0.00 0.00 55.06 56.86 1f4h s HIS 450 Cb 0.16 -3.27 1.03 0.00 1.11 0.00 0.00 32.58 31.60 1f4h s HIS 450 CO 0.76 -0.60 1.85 -0.35 -0.85 0.00 0.00 174.74 175.55 1f4h n PRO 451 N 2.35 0.12 0.09 8.40 -0.04 -1.26 -3.24 135.00 141.43 1f4h n PRO 451 Ca 0.03 0.11 -0.07 0.00 -0.04 0.00 0.00 63.50 63.53 1f4h n PRO 451 Cb 0.46 -1.65 0.05 0.00 -0.04 0.00 0.00 33.50 32.32 1f4h n PRO 451 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1f4h h SER 452 N 0.00 0.24 -2.77 3.54 4.64 -1.87 -3.41 113.55 113.91 1f4h h SER 452 Ca 0.00 -0.17 -0.54 0.00 -0.47 0.00 0.00 61.79 60.61 1f4h h SER 452 Cb 0.60 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.63 1f4h h SER 452 CO 0.00 0.91 0.94 -0.69 -0.87 0.00 0.00 176.83 177.12 1f4h s VAL 453 N -3.41 3.47 0.00 0.95 1.01 -1.20 -1.05 120.40 120.16 1f4h s VAL 453 Ca -0.03 0.82 0.00 0.00 0.00 0.00 0.00 61.98 62.77 1f4h s VAL 453 Cb 0.11 -3.53 0.00 0.00 0.00 0.00 0.00 36.38 32.96 1f4h s VAL 453 CO 0.81 -0.02 0.07 2.30 0.00 0.00 0.00 175.10 178.26 1f4h n ILE 454 N 4.86 0.00 -3.70 2.22 -5.35 -0.78 -4.92 119.36 111.69 1f4h n ILE 454 Ca 0.15 -0.31 -0.11 0.00 -0.27 0.00 0.00 62.75 62.21 1f4h n ILE 454 Cb 0.42 1.08 -0.11 0.00 -1.74 0.00 0.00 39.64 39.29 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 -0.49 -0.04 -0.16 7.28 1.01 -1.24 -3.92 121.20 123.64 1f4h s ILE 455 Ca 0.00 0.10 -0.07 0.00 0.00 0.00 0.00 60.65 60.68 1f4h s ILE 455 Cb 0.00 -0.57 -0.04 0.00 0.01 0.00 0.00 42.46 41.85 1f4h s ILE 455 CO 0.00 0.04 0.09 0.26 0.00 0.00 0.00 174.94 175.34 1f4h s TRP 456 N 1.41 3.37 0.11 3.97 0.23 -0.86 -0.88 118.94 126.29 1f4h s TRP 456 Ca -0.09 0.27 0.08 0.00 -2.03 0.00 0.00 56.10 54.33 1f4h s TRP 456 Cb -0.09 -2.03 -0.04 0.00 0.03 0.00 0.00 33.47 31.34 1f4h s TRP 456 CO -0.12 0.37 -0.14 0.45 0.96 0.00 0.00 176.95 178.47 1f4h s SER 457 N -0.11 4.14 -0.01 2.95 0.15 -0.54 -0.69 113.70 119.58 1f4h s SER 457 Ca 0.08 -0.48 0.09 0.00 0.70 0.00 0.00 55.95 56.34 1f4h s SER 457 Cb -0.12 -0.69 0.28 0.00 -1.71 0.00 0.00 66.02 63.78 1f4h s SER 457 CO 0.01 0.17 1.20 0.18 1.20 0.00 0.00 173.24 176.01 1f4h n LEU 458 N 0.72 1.80 0.00 3.45 4.77 -0.85 -2.75 117.00 124.14 1f4h n LEU 458 Ca -0.14 -0.90 0.00 0.00 -0.03 0.00 0.00 56.01 54.93 1f4h n LEU 458 Cb 0.53 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 41.37 1f4h n LEU 458 CO 0.31 0.41 0.00 0.61 -1.33 0.00 0.00 177.39 177.39 1f4h n GLY 459 N 0.91 -0.61 3.23 -0.72 0.00 -1.24 -4.60 105.19 102.15 1f4h n GLY 459 Ca 0.10 -2.17 -0.14 0.00 0.00 0.00 0.00 46.02 43.81 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 1.70 0.00 1.61 2.47 -0.32 -4.66 114.94 111.75 1f4h s ASN 460 Ca 0.00 -0.94 0.00 0.00 0.42 0.00 0.00 52.86 52.34 1f4h s ASN 460 Cb 0.00 -0.01 0.00 0.00 -1.45 0.00 0.00 41.25 39.79 1f4h s ASN 460 CO 0.00 -0.30 0.00 -1.84 -3.72 0.00 0.00 177.10 171.24 1f4h n GLU 461 N 0.07 0.00 -0.27 0.43 0.28 -1.26 -4.17 120.64 115.72 1f4h n GLU 461 Ca -0.12 0.00 0.02 0.00 -0.16 0.00 0.00 57.16 56.90 1f4h n GLU 461 Cb 0.60 0.00 0.03 0.00 1.43 0.00 0.00 31.44 33.49 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 0.67 0.63 -0.88 -1.84 7.64 -1.26 -1.99 113.62 116.58 1f4h n SER 462 Ca 0.00 -2.01 0.00 0.00 1.01 0.00 0.00 58.87 57.87 1f4h n SER 462 Cb 0.00 -0.19 -0.00 0.00 -1.01 0.00 0.00 64.21 63.01 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 -0.33 -1.08 3.18 0.23 0.00 -1.26 -3.65 105.19 102.29 1f4h n GLY 463 Ca 0.03 -1.05 -0.33 0.00 0.00 0.00 0.00 46.02 44.67 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 -0.03 2.78 0.16 1.61 2.46 -1.26 -4.26 115.29 116.75 1f4h s HIS 464 Ca 0.00 -1.37 0.05 0.00 0.47 0.00 0.00 55.06 54.20 1f4h s HIS 464 Cb 0.00 -1.91 -0.05 0.00 -0.13 0.00 0.00 32.58 30.49 1f4h s HIS 464 CO 0.00 -0.67 -0.10 0.20 -2.47 0.00 0.00 174.74 171.71 1f4h s GLY 465 N 1.11 1.15 0.62 1.59 0.00 -1.26 -4.86 107.32 105.67 1f4h s GLY 465 Ca 0.00 -1.53 0.33 0.00 0.00 0.00 0.00 44.72 43.52 1f4h s GLY 465 CO -0.07 -1.61 2.13 0.00 0.00 0.00 0.00 173.10 173.55 1f4h h ALA 466 N 2.73 1.53 0.00 3.20 0.00 -1.84 1.09 119.26 125.97 1f4h h ALA 466 Ca -0.37 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.53 1f4h h ALA 466 Cb 1.20 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.99 1f4h h ALA 466 CO 0.63 -0.23 -0.04 -0.91 0.00 0.00 0.00 179.25 178.71 1f4h h ASN 467 N 0.00 0.00 0.53 0.00 2.35 -1.77 -2.80 115.58 113.89 1f4h h ASN 467 Ca 0.05 0.00 -0.29 0.00 -0.55 0.00 0.00 56.30 55.51 1f4h h ASN 467 Cb 0.40 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.76 1f4h h ASN 467 CO -0.00 0.04 -1.44 0.45 -1.65 0.00 0.00 177.43 174.83 1f4h h HIS 468 N 0.00 0.41 0.00 1.19 3.86 0.11 -2.77 115.15 117.94 1f4h h HIS 468 Ca -0.00 -0.30 -0.00 0.00 -1.16 0.00 0.00 60.37 58.91 1f4h h HIS 468 Cb 0.42 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 28.88 1f4h h HIS 468 CO 0.00 1.31 -0.00 -0.44 0.86 0.00 0.00 177.93 179.66 1f4h h ASP 469 N 0.06 -0.00 0.02 2.45 3.32 -1.43 0.34 116.42 121.18 1f4h h ASP 469 Ca -0.20 -0.03 0.03 0.00 0.02 0.00 0.00 57.03 56.85 1f4h h ASP 469 Cb 1.99 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 41.49 1f4h h ASP 469 CO 0.16 0.03 -0.26 0.00 -1.72 0.00 0.00 179.24 177.45 1f4h h ALA 470 N 0.97 -0.37 -0.14 3.45 0.00 -1.59 0.12 119.26 121.69 1f4h h ALA 470 Ca -0.00 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.92 1f4h h ALA 470 Cb 0.03 0.46 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1f4h h ALA 470 CO 0.00 -0.77 -0.01 -0.07 0.00 0.00 0.00 179.25 178.39 1f4h h LEU 471 N -0.42 -0.08 -1.36 0.00 3.38 -1.32 -0.17 115.31 115.34 1f4h h LEU 471 Ca 0.06 0.03 0.09 0.00 0.09 0.00 0.00 57.88 58.16 1f4h h LEU 471 Cb 0.49 0.07 -0.05 0.00 0.09 0.00 0.00 40.66 41.26 1f4h h LEU 471 CO -0.22 -0.02 0.51 0.22 0.09 0.00 0.00 178.44 179.02 1f4h h TYR 472 N 0.03 0.76 -0.65 1.13 3.20 0.09 0.11 116.97 121.65 1f4h h TYR 472 Ca 0.07 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.93 1f4h h TYR 472 Cb 0.09 -0.25 -0.03 0.00 1.54 0.00 0.00 36.73 38.08 1f4h h TYR 472 CO -0.16 0.36 0.29 -0.09 -1.64 0.00 0.00 178.16 176.92 1f4h h ARG 473 N 0.72 0.93 -0.73 1.82 1.12 0.89 -2.53 114.38 116.60 1f4h h ARG 473 Ca 0.36 -0.13 0.01 0.00 -1.11 0.00 0.00 59.98 59.10 1f4h h ARG 473 Cb 0.44 -0.17 -0.04 0.00 -0.01 0.00 0.00 29.97 30.20 1f4h h ARG 473 CO -0.13 0.73 0.47 2.35 -3.11 0.00 0.00 179.97 180.28 1f4h h TRP 474 N 0.92 0.92 -0.15 2.20 7.01 0.79 -2.48 115.95 125.16 1f4h h TRP 474 Ca 0.22 0.02 -0.01 0.00 2.11 0.00 0.00 58.89 61.23 1f4h h TRP 474 Cb 0.13 -0.31 -0.01 0.00 -2.10 0.00 0.00 29.16 26.87 1f4h h TRP 474 CO 0.01 0.59 0.06 0.82 -2.79 0.00 0.00 178.44 177.13 1f4h h ILE 475 N 0.99 1.14 -0.73 2.65 2.04 -1.02 0.83 117.51 123.41 1f4h h ILE 475 Ca 0.27 -0.41 0.16 0.00 1.00 0.00 0.00 64.86 65.87 1f4h h ILE 475 Cb -0.10 1.15 -0.04 0.00 -0.74 0.00 0.00 36.82 37.08 1f4h h ILE 475 CO -0.06 0.13 0.50 0.11 0.00 0.00 0.00 178.15 178.83 1f4h h LYS 476 N 0.09 0.29 0.11 2.37 1.79 -1.42 1.92 116.57 121.72 1f4h h LYS 476 Ca 0.05 -0.02 -0.17 0.00 -2.18 0.00 0.00 60.65 58.33 1f4h h LYS 476 Cb 0.15 -0.07 0.01 0.00 -1.58 0.00 0.00 32.23 30.75 1f4h h LYS 476 CO -0.01 0.19 -0.78 1.03 -1.08 0.00 0.00 179.45 178.80 1f4h h SER 477 N 0.30 0.37 0.48 0.86 0.87 -0.95 -3.24 113.55 112.24 1f4h h SER 477 Ca 0.36 -0.93 -0.30 0.00 -1.23 0.00 0.00 61.79 59.69 1f4h h SER 477 Cb 0.98 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 62.79 1f4h h SER 477 CO -0.09 1.37 -1.57 0.58 -0.53 0.00 0.00 176.83 176.58 1f4h h VAL 478 N -0.48 1.08 -2.31 2.23 2.07 0.22 -3.42 116.25 115.64 1f4h h VAL 478 Ca -0.15 -2.79 -0.58 0.00 0.82 0.00 0.00 66.70 64.00 1f4h h VAL 478 Cb 1.55 2.66 -0.38 0.00 -1.52 0.00 0.00 31.29 33.59 1f4h h VAL 478 CO 0.10 0.76 -0.99 -0.67 0.02 0.00 0.00 177.57 176.80 1f4h n ASP 479 N -3.34 -0.14 0.31 0.57 2.03 0.64 -4.91 116.55 111.71 1f4h n ASP 479 Ca -0.16 -2.49 0.19 0.00 0.52 0.00 0.00 54.79 52.85 1f4h n ASP 479 Cb 1.03 -0.58 1.07 0.00 -0.72 0.00 0.00 41.12 41.92 1f4h n ASP 479 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1f4h h PRO 480 N 5.23 0.00 -0.27 -0.67 0.13 -1.70 -3.09 132.00 131.63 1f4h h PRO 480 Ca 0.22 0.00 0.08 0.00 -0.87 0.00 0.00 66.00 65.43 1f4h h PRO 480 Cb 0.89 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.01 1f4h h PRO 480 CO 0.41 0.00 0.40 0.66 -0.23 0.00 0.00 178.00 179.25 1f4h h SER 481 N 0.00 0.00 -4.93 1.44 4.64 -1.91 -3.43 113.55 109.36 1f4h h SER 481 Ca 0.01 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.14 1f4h h SER 481 Cb 0.09 0.00 -0.18 0.00 -0.31 0.00 0.00 62.40 62.00 1f4h h SER 481 CO -0.00 0.00 -0.70 -0.13 -0.87 0.00 0.00 176.83 175.13 1f4h s ARG 482 N -4.45 0.55 0.44 4.77 0.52 -1.17 -4.17 118.95 115.44 1f4h s ARG 482 Ca -0.04 -0.97 -0.07 0.00 -0.52 0.00 0.00 55.73 54.13 1f4h s ARG 482 Cb 0.13 -0.01 -0.05 0.00 0.52 0.00 0.00 34.95 35.54 1f4h s ARG 482 CO 0.46 -0.04 0.75 -2.14 0.02 0.00 0.00 175.30 174.35 1f4h s PRO 483 N -2.70 3.62 0.20 3.54 0.01 -1.25 -4.86 135.00 133.56 1f4h s PRO 483 Ca -0.02 0.24 0.10 0.00 0.01 0.00 0.00 61.00 61.33 1f4h s PRO 483 Cb -0.02 -2.41 -0.04 0.00 0.01 0.00 0.00 34.50 32.04 1f4h s PRO 483 CO -0.04 -0.11 -0.12 0.08 0.01 0.00 0.00 177.00 176.82 1f4h s VAL 484 N -2.56 3.00 0.02 3.83 1.01 -1.26 -2.03 120.40 122.42 1f4h s VAL 484 Ca 0.48 -1.83 -0.17 0.00 0.00 0.00 0.00 61.98 60.46 1f4h s VAL 484 Cb -0.10 -2.51 0.03 0.00 0.00 0.00 0.00 36.38 33.80 1f4h s VAL 484 CO 0.39 -0.17 0.38 0.00 0.00 0.00 0.00 175.10 175.69 1f4h s GLN 485 N -2.97 0.84 -0.28 2.72 -2.07 0.13 -1.13 119.66 116.90 1f4h s GLN 485 Ca 0.25 -0.32 -0.21 0.00 -1.82 0.00 0.00 55.36 53.27 1f4h s GLN 485 Cb -0.08 0.37 0.08 0.00 -1.09 0.00 0.00 33.01 32.29 1f4h s GLN 485 CO 0.15 -0.27 0.72 -0.47 -1.32 0.00 0.00 175.29 174.10 1f4h s TYR 486 N -2.14 -0.90 -0.10 9.60 5.04 -1.26 -2.01 117.35 125.58 1f4h s TYR 486 Ca -0.08 1.98 0.16 0.00 -2.44 0.00 0.00 57.07 56.69 1f4h s TYR 486 Cb -0.02 0.45 -0.18 0.00 0.35 0.00 0.00 41.96 42.56 1f4h s TYR 486 CO -0.00 -0.44 0.72 -1.91 -1.34 0.00 0.00 175.55 172.57 1f4h n GLU 487 N 3.46 0.63 -1.40 4.97 0.00 -1.26 -4.60 120.64 122.43 1f4h n GLU 487 Ca -0.17 0.22 -0.38 0.00 0.00 0.00 0.00 57.16 56.83 1f4h n GLU 487 Cb 0.57 -1.78 0.05 0.00 0.00 0.00 0.00 31.44 30.28 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 1.46 -1.56 2.27 8.31 0.00 -1.26 -1.68 105.19 112.72 1f4h n GLY 488 Ca -0.13 -0.23 -0.06 0.00 0.00 0.00 0.00 46.02 45.59 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 1.78 0.86 0.00 -0.02 0.00 -1.26 -4.04 105.19 102.51 1f4h n GLY 489 Ca 0.11 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.59 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 -1.89 1.04 3.72 -0.02 0.00 -1.23 -4.72 105.19 102.09 1f4h n GLY 490 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.04 4.61 0.00 -0.68 -4.72 120.51 119.68 1f4h n ALA 491 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1f4h n ALA 491 Cb 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 19.45 19.32 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 1.78 -4.12 0.00 5.68 -1.26 -2.52 116.55 116.12 1f4h n ASP 492 Ca 0.00 -1.82 -0.36 0.00 -0.50 0.00 0.00 54.79 52.11 1f4h n ASP 492 Cb 0.00 0.00 0.09 0.00 -1.14 0.00 0.00 41.12 40.07 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 -0.41 0.00 1.41 2.12 -2.24 -1.26 -4.81 114.28 109.09 1f4h n THR 493 Ca 0.00 -0.15 0.12 0.00 -2.27 0.00 0.00 64.05 61.75 1f4h n THR 493 Cb 0.22 -0.25 0.70 0.00 -2.10 0.00 0.00 70.33 68.90 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 -3.79 0.09 -0.59 4.28 -2.24 -1.26 -3.25 114.28 107.52 1f4h n THR 494 Ca -0.01 0.02 0.09 0.00 -2.27 0.00 0.00 64.05 61.89 1f4h n THR 494 Cb 0.69 -0.62 0.36 0.00 -2.10 0.00 0.00 70.33 68.66 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 -1.11 3.10 -2.83 6.98 0.00 -1.26 -4.92 120.51 120.47 1f4h n ALA 495 Ca 0.16 -1.57 -0.14 0.00 0.00 0.00 0.00 53.44 51.89 1f4h n ALA 495 Cb 0.13 -1.03 -0.12 0.00 0.00 0.00 0.00 19.45 18.43 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 -1.85 0.55 -2.43 0.00 -1.32 -1.20 -4.17 115.64 105.23 1f4h s THR 496 Ca 0.51 -0.90 0.24 0.00 -1.21 0.00 0.00 61.69 60.34 1f4h s THR 496 Cb 0.33 -0.58 0.18 0.00 -1.51 0.00 0.00 72.50 70.92 1f4h s THR 496 CO 0.25 -0.26 1.31 0.47 -2.21 0.00 0.00 174.62 174.18 1f4h n ASP 497 N 1.79 2.19 -3.92 8.08 8.00 -0.29 -4.92 116.55 127.49 1f4h n ASP 497 Ca -0.20 -1.61 -0.10 0.00 0.71 0.00 0.00 54.79 53.58 1f4h n ASP 497 Cb 0.55 0.19 -0.11 0.00 -0.02 0.00 0.00 41.12 41.73 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 -2.24 0.08 -0.24 0.53 1.01 -1.26 -4.57 121.20 114.51 1f4h s ILE 498 Ca 0.26 -0.63 -0.18 0.00 0.00 0.00 0.00 60.65 60.09 1f4h s ILE 498 Cb 0.19 -0.27 -0.03 0.00 0.01 0.00 0.00 42.46 42.37 1f4h s ILE 498 CO 0.43 -0.35 0.52 -0.63 0.00 0.00 0.00 174.94 174.92 1f4h s ILE 499 N -1.08 5.07 -0.44 2.92 1.01 -0.37 -4.76 121.20 123.56 1f4h s ILE 499 Ca -0.12 0.92 0.09 0.00 0.00 0.00 0.00 60.65 61.55 1f4h s ILE 499 Cb -0.07 -3.84 0.33 0.00 0.01 0.00 0.00 42.46 38.89 1f4h s ILE 499 CO -0.00 0.11 0.75 0.00 0.00 0.00 0.00 174.94 175.80 1f4h s PRO 501 N -2.48 1.11 -0.11 0.00 0.04 -1.26 -3.53 135.00 128.76 1f4h s PRO 501 Ca 0.41 0.43 0.03 0.00 0.04 0.00 0.00 61.00 61.91 1f4h s PRO 501 Cb 0.29 -1.82 -0.00 0.00 0.04 0.00 0.00 34.50 33.01 1f4h s PRO 501 CO -0.09 -2.24 -0.21 0.00 0.04 0.00 0.00 177.00 174.50 1f4h s MET 502 N -5.16 3.14 -1.13 4.56 0.23 -1.25 -1.44 119.30 118.25 1f4h s MET 502 Ca 0.64 -0.82 0.00 0.00 -1.03 0.00 0.00 55.69 54.47 1f4h s MET 502 Cb -0.16 -2.42 0.00 0.00 -1.53 0.00 0.00 34.83 30.73 1f4h s MET 502 CO 0.55 0.16 0.00 0.66 -2.03 0.00 0.00 175.02 174.35 1f4h n TYR 503 N 3.61 -0.41 -2.49 3.16 4.02 -0.45 -4.96 117.16 119.64 1f4h n TYR 503 Ca -0.19 0.00 -0.37 0.00 -0.01 0.00 0.00 57.90 57.33 1f4h n TYR 503 Cb 0.53 -2.61 -0.04 0.00 -0.02 0.00 0.00 39.34 37.20 1f4h n TYR 503 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1f4h s ALA 504 N -2.57 3.13 0.32 -0.72 0.00 -1.26 -4.93 121.76 115.72 1f4h s ALA 504 Ca 0.00 0.76 -0.03 0.00 0.00 0.00 0.00 51.96 52.70 1f4h s ALA 504 Cb 0.00 -3.30 -0.04 0.00 0.00 0.00 0.00 23.12 19.78 1f4h s ALA 504 CO 0.00 -0.26 0.56 1.03 0.00 0.00 0.00 175.76 177.09 1f4h s ARG 505 N -2.35 3.56 0.04 0.00 0.52 -1.23 -4.80 118.95 114.70 1f4h s ARG 505 Ca 0.56 -0.13 -0.21 0.00 -0.52 0.00 0.00 55.73 55.44 1f4h s ARG 505 Cb -0.25 -2.65 -0.11 0.00 0.52 0.00 0.00 34.95 32.47 1f4h s ARG 505 CO 0.31 0.17 1.31 0.28 0.02 0.00 0.00 175.30 177.40 1f4h h VAL 506 N 1.07 0.00 0.00 3.52 2.07 -1.93 0.27 116.25 121.25 1f4h h VAL 506 Ca -0.48 0.00 -0.20 0.00 0.82 0.00 0.00 66.70 66.83 1f4h h VAL 506 Cb 1.20 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.93 1f4h h VAL 506 CO 0.64 0.00 -2.11 0.47 0.02 0.00 0.00 177.57 176.59 1f4h n ASP 507 N -4.06 0.12 -4.72 0.57 8.00 -1.26 -2.67 116.55 112.53 1f4h n ASP 507 Ca -0.08 0.05 -0.35 0.00 0.71 0.00 0.00 54.79 55.12 1f4h n ASP 507 Cb 0.28 1.25 -0.09 0.00 -0.02 0.00 0.00 41.12 42.55 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 -2.93 3.27 0.53 -1.24 -1.05 -1.26 -4.69 118.70 111.32 1f4h s GLU 508 Ca -0.08 -0.34 -0.12 0.00 -0.15 0.00 0.00 54.97 54.28 1f4h s GLU 508 Cb 0.09 -2.95 -0.06 0.00 -0.44 0.00 0.00 34.13 30.77 1f4h s GLU 508 CO 0.86 0.64 0.94 -0.51 0.95 0.00 0.00 175.26 178.14 1f4h s ASP 509 N -0.69 6.41 -0.41 0.83 1.01 -1.26 -3.52 116.67 119.05 1f4h s ASP 509 Ca 0.11 1.37 0.07 0.00 0.71 0.00 0.00 52.55 54.81 1f4h s ASP 509 Cb -0.12 -2.43 0.23 0.00 1.01 0.00 0.00 42.92 41.61 1f4h s ASP 509 CO 0.02 -0.66 0.48 0.00 0.21 0.00 0.00 175.17 175.22 1f4h n GLN 510 N -2.07 0.66 -2.50 8.23 6.02 0.78 -4.86 117.38 123.65 1f4h n GLN 510 Ca 0.05 -3.29 -0.39 0.00 -0.01 0.00 0.00 57.00 53.35 1f4h n GLN 510 Cb 0.54 -1.40 -0.03 0.00 1.02 0.00 0.00 30.24 30.37 1f4h n GLN 510 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 1f4h s PRO 511 N -0.90 3.46 0.18 -1.09 0.04 -1.26 -0.25 135.00 135.18 1f4h s PRO 511 Ca 0.34 -0.99 -0.17 0.00 0.04 0.00 0.00 61.00 60.23 1f4h s PRO 511 Cb 0.13 -5.28 -0.07 0.00 0.04 0.00 0.00 34.50 29.31 1f4h s PRO 511 CO -0.13 -2.34 0.62 -0.06 0.04 0.00 0.00 177.00 175.13 1f4h s PHE 512 N 5.58 3.63 0.34 0.56 2.99 -1.26 -4.92 117.98 124.89 1f4h s PHE 512 Ca 0.48 1.20 -0.29 0.00 0.00 0.00 0.00 56.93 58.32 1f4h s PHE 512 Cb -0.01 -2.47 -0.12 0.00 0.00 0.00 0.00 43.02 40.42 1f4h s PHE 512 CO -0.08 0.40 1.49 -0.35 -0.00 0.00 0.00 175.22 176.67 1f4h n PRO 513 N 0.80 2.56 0.00 0.24 -0.04 -1.26 -1.80 135.00 135.50 1f4h n PRO 513 Ca -0.04 0.90 0.00 0.00 -0.04 0.00 0.00 63.50 64.32 1f4h n PRO 513 Cb 0.51 -2.62 0.00 0.00 -0.04 0.00 0.00 33.50 31.35 1f4h n PRO 513 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1f4h n ALA 514 N 1.07 0.00 -3.20 0.55 0.00 -1.26 -4.62 120.51 113.04 1f4h n ALA 514 Ca 0.05 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.27 1f4h n ALA 514 Cb 0.37 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.76 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 0.00 -0.83 -1.87 0.00 0.24 -1.06 -4.83 118.33 109.98 1f4h n VAL 515 Ca 0.00 -3.07 -0.29 0.00 -2.04 0.00 0.00 64.34 58.94 1f4h n VAL 515 Cb 0.00 -1.11 0.11 0.00 -1.47 0.00 0.00 33.84 31.37 1f4h n VAL 515 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 1f4h s PRO 516 N -0.08 1.67 -0.58 7.34 0.04 -0.74 -4.45 135.00 138.20 1f4h s PRO 516 Ca 0.33 0.04 0.04 0.00 0.04 0.00 0.00 61.00 61.46 1f4h s PRO 516 Cb 0.08 -1.92 0.16 0.00 0.04 0.00 0.00 34.50 32.86 1f4h s PRO 516 CO -0.16 -1.79 0.40 0.15 0.04 0.00 0.00 177.00 175.65 1f4h s LYS 517 N -5.60 1.87 0.64 4.56 1.02 0.66 -4.83 119.74 118.06 1f4h s LYS 517 Ca 0.64 -2.79 -0.18 0.00 0.02 0.00 0.00 55.97 53.66 1f4h s LYS 517 Cb -0.10 -2.77 -0.02 0.00 -0.52 0.00 0.00 37.83 34.42 1f4h s LYS 517 CO 0.50 -1.28 1.25 0.91 -0.92 0.00 0.00 175.35 175.81 1f4h n TRP 518 N 2.50 1.79 -1.57 3.18 5.03 -1.26 -0.15 117.44 126.96 1f4h n TRP 518 Ca 0.19 0.42 -0.51 0.00 3.03 0.00 0.00 57.50 60.64 1f4h n TRP 518 Cb 0.38 -2.25 -0.05 0.00 -1.03 0.00 0.00 31.31 28.36 1f4h n TRP 518 CO 0.00 0.00 0.00 0.45 -0.03 0.00 0.00 177.69 178.11 1f4h n SER 519 N -1.73 1.25 -0.36 -0.99 2.88 -1.25 -4.42 113.62 109.00 1f4h n SER 519 Ca 0.16 1.14 0.07 0.00 -1.33 0.00 0.00 58.87 58.90 1f4h n SER 519 Cb 0.48 -1.18 0.23 0.00 -0.75 0.00 0.00 64.21 62.99 1f4h n SER 519 CO 0.00 0.00 0.00 0.16 -1.23 0.00 0.00 175.04 173.97 1f4h h ILE 520 N 2.85 0.92 0.00 2.46 3.07 -0.23 0.21 117.51 126.79 1f4h h ILE 520 Ca -0.45 -0.33 -0.02 0.00 1.55 0.00 0.00 64.86 65.61 1f4h h ILE 520 Cb 1.35 -0.14 -0.00 0.00 -0.27 0.00 0.00 36.82 37.75 1f4h h ILE 520 CO 0.72 0.18 -0.10 0.11 -1.05 0.00 0.00 178.15 178.00 1f4h h LYS 521 N 0.98 0.00 0.14 0.16 1.57 -1.83 -2.79 116.57 114.79 1f4h h LYS 521 Ca 0.49 0.00 -0.29 0.00 -1.87 0.00 0.00 60.65 58.98 1f4h h LYS 521 Cb 0.47 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.79 1f4h h LYS 521 CO -0.26 0.10 -1.37 -0.22 -0.57 0.00 0.00 179.45 177.13 1f4h h LYS 522 N 0.00 0.29 -0.77 3.15 3.64 -0.89 -3.34 116.57 118.64 1f4h h LYS 522 Ca -0.00 -0.50 0.09 0.00 -1.27 0.00 0.00 60.65 58.97 1f4h h LYS 522 Cb 0.37 0.19 -0.07 0.00 -0.41 0.00 0.00 32.23 32.31 1f4h h LYS 522 CO 0.01 1.21 0.43 2.35 -2.27 0.00 0.00 179.45 181.18 1f4h h TRP 523 N 0.08 0.78 -0.27 1.91 2.91 -1.02 -2.95 115.95 117.39 1f4h h TRP 523 Ca -0.19 0.03 0.08 0.00 1.13 0.00 0.00 58.89 59.94 1f4h h TRP 523 Cb 2.01 -0.24 -0.01 0.00 -0.51 0.00 0.00 29.16 30.41 1f4h h TRP 523 CO 0.07 0.33 0.21 -0.07 -1.03 0.00 0.00 178.44 177.95 1f4h h LEU 524 N 0.74 0.00 -1.76 0.65 3.38 -1.68 -2.45 115.31 114.18 1f4h h LEU 524 Ca 0.37 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.34 1f4h h LEU 524 Cb 0.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.08 1f4h h LEU 524 CO -0.24 0.00 0.00 -1.54 0.09 0.00 0.00 178.44 176.75 1f4h n SER 525 N -4.25 2.60 -4.60 -0.43 3.41 -1.12 -4.51 113.62 104.73 1f4h n SER 525 Ca 0.03 -1.79 -0.49 0.00 -0.26 0.00 0.00 58.87 56.36 1f4h n SER 525 Cb 0.37 -0.01 -0.04 0.00 -0.26 0.00 0.00 64.21 64.26 1f4h n SER 525 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1f4h n LEU 526 N 1.06 1.85 -4.55 1.04 4.32 -0.93 -4.68 117.00 115.12 1f4h n LEU 526 Ca 0.11 1.13 -0.48 0.00 -0.02 0.00 0.00 56.01 56.76 1f4h n LEU 526 Cb 0.47 -1.25 -0.03 0.00 -1.62 0.00 0.00 43.42 40.99 1f4h n LEU 526 CO 0.12 -1.07 0.54 -2.65 -1.22 0.00 0.00 177.39 173.11 1f4h n PRO 527 N 2.10 0.96 0.00 3.23 -0.02 -1.26 -2.10 135.00 137.92 1f4h n PRO 527 Ca 0.16 0.34 0.00 0.00 -2.02 0.00 0.00 63.50 61.98 1f4h n PRO 527 Cb 0.24 -1.71 0.00 0.00 -0.02 0.00 0.00 33.50 32.01 1f4h n PRO 527 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1f4h n GLY 528 N 1.73 2.87 3.56 -1.23 0.00 -1.26 -5.03 105.19 105.82 1f4h n GLY 528 Ca 0.14 -0.73 -0.52 0.00 0.00 0.00 0.00 46.02 44.91 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 0.85 0.00 1.61 4.07 -0.89 -4.98 120.64 121.30 1f4h n GLU 529 Ca 0.00 0.30 0.00 0.00 -0.06 0.00 0.00 57.16 57.40 1f4h n GLU 529 Cb 0.00 -1.84 0.00 0.00 -0.06 0.00 0.00 31.44 29.54 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 1.85 0.00 -2.84 6.31 -2.24 -1.26 -4.77 114.28 111.33 1f4h n THR 530 Ca 0.18 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.67 1f4h n THR 530 Cb 0.19 0.73 -0.02 0.00 -2.10 0.00 0.00 70.33 69.13 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 3.67 0.76 -0.78 0.52 -1.26 -3.90 118.95 117.96 1f4h s ARG 531 Ca 0.00 0.30 -0.11 0.00 -0.52 0.00 0.00 55.73 55.39 1f4h s ARG 531 Cb 0.00 -2.42 0.05 0.00 0.52 0.00 0.00 34.95 33.10 1f4h s ARG 531 CO 0.00 -0.07 1.10 -1.25 0.02 0.00 0.00 175.30 175.10 1f4h s PRO 532 N -4.15 2.29 -0.17 3.54 0.04 -1.08 -4.78 135.00 130.69 1f4h s PRO 532 Ca 0.49 1.24 0.01 0.00 0.04 0.00 0.00 61.00 62.78 1f4h s PRO 532 Cb -0.10 -1.90 0.02 0.00 0.04 0.00 0.00 34.50 32.56 1f4h s PRO 532 CO 0.36 -1.63 -0.19 -1.17 0.04 0.00 0.00 177.00 174.41 1f4h s LEU 533 N -5.75 2.07 -0.16 -3.56 2.96 0.16 -1.23 118.68 113.16 1f4h s LEU 533 Ca 0.63 -0.62 -0.02 0.00 -0.22 0.00 0.00 54.13 53.89 1f4h s LEU 533 Cb -0.18 -1.43 0.05 0.00 0.50 0.00 0.00 46.19 45.12 1f4h s LEU 533 CO 0.53 0.00 0.02 -0.63 -1.32 0.00 0.00 176.35 174.95 1f4h s ILE 534 N 1.27 0.57 -0.00 6.68 1.01 -0.52 -0.67 121.20 129.53 1f4h s ILE 534 Ca 0.04 -0.42 -0.30 0.00 0.00 0.00 0.00 60.65 59.96 1f4h s ILE 534 Cb -0.13 -0.96 -0.09 0.00 0.01 0.00 0.00 42.46 41.29 1f4h s ILE 534 CO -0.12 -0.06 1.99 0.18 0.00 0.00 0.00 174.94 176.93 1f4h n LEU 535 N 5.05 4.00 0.18 2.97 4.32 -0.94 -4.07 117.00 128.50 1f4h n LEU 535 Ca -0.09 0.85 0.06 0.00 -0.02 0.00 0.00 56.01 56.81 1f4h n LEU 535 Cb 0.48 -1.51 0.24 0.00 -1.62 0.00 0.00 43.42 41.01 1f4h n LEU 535 CO 0.13 0.10 0.63 0.00 -1.22 0.00 0.00 177.39 177.02 1f4h s GLU 537 N -3.35 0.31 0.12 0.00 2.02 -1.20 -4.40 118.70 112.20 1f4h s GLU 537 Ca 0.02 0.46 -0.24 0.00 0.02 0.00 0.00 54.97 55.23 1f4h s GLU 537 Cb 0.09 0.08 0.07 0.00 0.10 0.00 0.00 34.13 34.47 1f4h s GLU 537 CO 0.70 -0.08 0.59 1.52 0.02 0.00 0.00 175.26 178.01 1f4h s TYR 538 N 0.52 -0.53 -0.36 1.61 -0.00 -0.84 -1.34 117.35 116.40 1f4h s TYR 538 Ca -0.03 0.43 -0.18 0.00 -0.00 0.00 0.00 57.07 57.28 1f4h s TYR 538 Cb -0.04 0.51 0.03 0.00 -0.00 0.00 0.00 41.96 42.45 1f4h s TYR 538 CO -0.03 -0.79 0.45 0.00 -0.00 0.00 0.00 175.55 175.17 1f4h n ALA 539 N -0.14 -2.76 -1.57 9.51 0.00 -1.26 -2.37 120.51 121.92 1f4h n ALA 539 Ca -0.17 0.67 -0.26 0.00 0.00 0.00 0.00 53.44 53.68 1f4h n ALA 539 Cb 0.63 -2.46 -0.05 0.00 0.00 0.00 0.00 19.45 17.58 1f4h n ALA 539 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1f4h s HIS 540 N -1.90 1.11 -1.70 0.00 2.46 -0.73 -3.85 115.29 110.67 1f4h s HIS 540 Ca 0.22 1.75 0.00 0.00 0.47 0.00 0.00 55.06 57.50 1f4h s HIS 540 Cb -0.04 -3.52 0.00 0.00 -0.13 0.00 0.00 32.58 28.89 1f4h s HIS 540 CO 0.71 -2.08 0.15 0.00 -2.47 0.00 0.00 174.74 171.06 1f4h n ALA 541 N 17.17 1.55 -1.66 1.58 0.00 0.12 -4.40 120.51 134.87 1f4h n ALA 541 Ca 0.41 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.45 1f4h n ALA 541 Cb 0.49 -1.00 -0.03 0.00 0.00 0.00 0.00 19.45 18.91 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 -1.70 2.71 7.64 0.00 0.00 -1.25 -3.73 119.30 122.96 1f4h s MET 542 Ca 0.00 1.63 0.00 0.00 0.00 0.00 0.00 55.69 57.32 1f4h s MET 542 Cb 0.00 -4.44 0.00 0.00 0.00 0.00 0.00 34.83 30.39 1f4h s MET 542 CO 0.00 -2.59 0.00 0.41 0.00 0.00 0.00 175.02 172.84 1f4h n GLY 543 N 5.82 3.08 3.48 2.11 0.00 -1.25 -4.14 105.19 114.28 1f4h n GLY 543 Ca 0.31 -0.18 -0.43 0.00 0.00 0.00 0.00 46.02 45.72 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 6.39 0.00 1.61 3.84 -1.26 -4.89 114.94 116.62 1f4h s ASN 544 Ca 0.00 -1.39 0.00 0.00 0.21 0.00 0.00 52.86 51.68 1f4h s ASN 544 Cb 0.00 -2.45 0.00 0.00 -0.55 0.00 0.00 41.25 38.25 1f4h s ASN 544 CO 0.00 -1.36 0.00 -0.24 -2.79 0.00 0.00 177.10 172.71 1f4h n SER 545 N 7.66 0.00 0.00 -4.21 2.88 -1.26 -4.66 113.62 114.04 1f4h n SER 545 Ca 0.13 -0.44 0.00 0.00 -1.33 0.00 0.00 58.87 57.23 1f4h n SER 545 Cb 0.48 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.94 1f4h n SER 545 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 1f4h n LEU 546 N 0.00 -0.20 -4.76 2.46 7.94 -1.24 -4.77 117.00 116.44 1f4h n LEU 546 Ca 0.00 0.00 -0.40 0.00 -1.11 0.00 0.00 56.01 54.50 1f4h n LEU 546 Cb 0.00 -0.45 -0.06 0.00 0.53 0.00 0.00 43.42 43.44 1f4h n LEU 546 CO 0.00 0.00 0.57 -0.83 -1.11 0.00 0.00 177.39 176.02 1f4h s GLY 547 N -2.90 3.01 0.00 -3.96 0.00 -0.40 -2.89 107.32 100.18 1f4h s GLY 547 Ca 0.00 0.49 0.00 0.00 0.00 0.00 0.00 44.72 45.21 1f4h s GLY 547 CO 0.00 1.09 0.00 0.61 0.00 0.00 0.00 173.10 174.80 1f4h n GLY 548 N 1.69 1.05 0.31 0.20 0.00 0.58 -4.19 105.19 104.83 1f4h n GLY 548 Ca -0.03 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.09 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 -0.04 -0.58 1.61 3.57 -1.73 0.27 116.94 120.05 1f4h h PHE 549 Ca 0.00 0.06 -0.01 0.00 3.53 0.00 0.00 57.97 61.55 1f4h h PHE 549 Cb 0.00 0.16 -0.03 0.00 2.79 0.00 0.00 35.95 38.87 1f4h h PHE 549 CO 0.00 -0.33 0.32 0.00 -2.23 0.00 0.00 178.31 176.07 1f4h h ALA 550 N 1.85 1.48 -0.59 2.41 0.00 -1.87 -2.10 119.26 120.44 1f4h h ALA 550 Ca 0.51 -0.09 0.12 0.00 0.00 0.00 0.00 54.91 55.45 1f4h h ALA 550 Cb 0.98 -0.23 -0.09 0.00 0.00 0.00 0.00 17.79 18.44 1f4h h ALA 550 CO -0.80 0.43 0.05 -0.22 0.00 0.00 0.00 179.25 178.72 1f4h h LYS 551 N 0.80 0.16 0.46 0.00 3.64 -0.86 0.56 116.57 121.33 1f4h h LYS 551 Ca 0.21 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.55 1f4h h LYS 551 Cb 0.01 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 31.80 1f4h h LYS 551 CO -0.03 0.11 -0.23 1.88 -2.27 0.00 0.00 179.45 178.90 1f4h h TYR 552 N 0.17 -0.60 -0.35 1.91 -1.99 -1.28 -2.52 116.97 112.31 1f4h h TYR 552 Ca 0.31 -0.01 0.10 0.00 2.00 0.00 0.00 58.73 61.13 1f4h h TYR 552 Cb 0.49 0.20 -0.01 0.00 2.00 0.00 0.00 36.73 39.41 1f4h h TYR 552 CO -0.31 -0.37 0.33 -1.49 -0.00 0.00 0.00 178.16 176.31 1f4h h TRP 553 N -0.64 0.00 0.10 4.88 4.06 -0.45 -1.11 115.95 122.80 1f4h h TRP 553 Ca -0.06 0.00 -0.28 0.00 2.06 0.00 0.00 58.89 60.61 1f4h h TRP 553 Cb 0.49 0.00 0.02 0.00 -1.00 0.00 0.00 29.16 28.67 1f4h h TRP 553 CO -0.05 0.00 -1.19 0.37 -3.56 0.00 0.00 178.44 174.01 1f4h h GLN 554 N 0.00 0.44 -0.48 0.49 4.15 0.42 -3.01 115.11 117.13 1f4h h GLN 554 Ca 0.16 -0.62 -0.03 0.00 0.77 0.00 0.00 58.65 58.94 1f4h h GLN 554 Cb 0.82 0.21 -0.02 0.00 0.21 0.00 0.00 27.48 28.69 1f4h h GLN 554 CO -0.00 1.26 0.18 0.00 -1.93 0.00 0.00 178.83 178.34 1f4h h ALA 555 N 0.50 0.62 -0.51 3.38 0.00 -0.96 -2.50 119.26 119.79 1f4h h ALA 555 Ca -0.15 -0.16 0.10 0.00 0.00 0.00 0.00 54.91 54.71 1f4h h ALA 555 Cb 1.87 -0.19 -0.10 0.00 0.00 0.00 0.00 17.79 19.37 1f4h h ALA 555 CO 0.21 0.23 -0.21 0.74 0.00 0.00 0.00 179.25 180.22 1f4h h PHE 556 N 0.63 -0.54 -0.02 0.00 0.05 -1.49 0.38 116.94 115.95 1f4h h PHE 556 Ca 0.16 0.05 -0.06 0.00 3.82 0.00 0.00 57.97 61.95 1f4h h PHE 556 Cb 0.21 0.31 -0.01 0.00 2.00 0.00 0.00 35.95 38.46 1f4h h PHE 556 CO 0.01 -0.30 -0.25 0.00 -0.18 0.00 0.00 178.31 177.59 1f4h h ARG 557 N -0.10 0.04 0.03 1.51 3.08 -1.38 -3.22 114.38 114.34 1f4h h ARG 557 Ca 0.24 -0.01 -0.31 0.00 0.07 0.00 0.00 59.98 59.97 1f4h h ARG 557 Cb 0.47 -0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.47 1f4h h ARG 557 CO -0.58 0.28 -1.78 0.94 -1.07 0.00 0.00 179.97 177.77 1f4h n GLN 558 N -4.23 0.66 -3.69 0.04 7.27 -0.50 -4.80 117.38 112.13 1f4h n GLN 558 Ca -0.02 0.29 -0.37 0.00 0.07 0.00 0.00 57.00 56.97 1f4h n GLN 558 Cb 0.31 -1.77 -0.12 0.00 2.41 0.00 0.00 30.24 31.07 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 -2.59 3.14 0.18 3.69 1.51 0.12 -4.98 117.35 118.42 1f4h s TYR 559 Ca -0.08 -0.23 -0.20 0.00 -1.01 0.00 0.00 57.07 55.55 1f4h s TYR 559 Cb 0.08 -2.30 0.11 0.00 -0.11 0.00 0.00 41.96 39.74 1f4h s TYR 559 CO 0.81 -0.29 1.62 -1.35 -1.11 0.00 0.00 175.55 175.23 1f4h h PRO 560 N 8.29 -0.15 0.00 -1.71 0.11 -1.87 -2.02 132.00 134.65 1f4h h PRO 560 Ca -0.37 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.75 1f4h h PRO 560 Cb 1.18 0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1f4h h PRO 560 CO 0.57 -0.10 0.00 0.54 -0.21 0.00 0.00 178.00 178.80 1f4h n ARG 561 N -5.40 0.36 -3.25 1.05 1.74 -1.26 -4.31 116.66 105.59 1f4h n ARG 561 Ca 0.03 0.06 -0.46 0.00 -0.77 0.00 0.00 57.85 56.71 1f4h n ARG 561 Cb 0.31 -1.50 -0.04 0.00 -1.02 0.00 0.00 32.46 30.22 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 -2.21 6.10 -0.07 0.55 1.43 -0.76 0.37 118.68 124.09 1f4h s LEU 562 Ca 0.19 -1.98 0.04 0.00 -1.03 0.00 0.00 54.13 51.34 1f4h s LEU 562 Cb 0.10 -2.24 0.23 0.00 0.03 0.00 0.00 46.19 44.31 1f4h s LEU 562 CO 0.19 -0.85 0.88 0.00 0.23 0.00 0.00 176.35 176.80 1f4h n GLN 563 N 5.21 2.09 0.00 1.70 6.02 0.15 -4.68 117.38 127.88 1f4h n GLN 563 Ca -0.03 -0.90 0.00 0.00 -0.01 0.00 0.00 57.00 56.06 1f4h n GLN 563 Cb 0.43 -1.70 0.00 0.00 1.02 0.00 0.00 30.24 29.99 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 0.17 -0.02 0.00 1.08 0.00 -1.26 -0.57 105.19 104.59 1f4h n GLY 564 Ca 0.08 -1.70 0.00 0.00 0.00 0.00 0.00 46.02 44.40 1f4h n GLY 564 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1f4h n GLY 565 N 0.00 -0.47 3.43 -0.02 0.00 -0.76 -2.22 105.19 105.16 1f4h n GLY 565 Ca 0.00 -1.11 -0.37 0.00 0.00 0.00 0.00 46.02 44.55 1f4h n GLY 565 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1f4h s PHE 566 N -2.00 3.10 0.48 1.61 0.40 -0.14 -2.70 117.98 118.74 1f4h s PHE 566 Ca 0.00 -0.51 -0.23 0.00 -0.60 0.00 0.00 56.93 55.60 1f4h s PHE 566 Cb 0.00 -2.26 -0.07 0.00 0.51 0.00 0.00 43.02 41.21 1f4h s PHE 566 CO 0.00 -0.40 1.22 0.08 0.70 0.00 0.00 175.22 176.82 1f4h s VAL 567 N 1.60 2.83 -0.38 -0.44 1.01 -0.66 -1.99 120.40 122.36 1f4h s VAL 567 Ca 0.06 0.62 -0.04 0.00 0.00 0.00 0.00 61.98 62.62 1f4h s VAL 567 Cb -0.16 -3.32 0.09 0.00 0.00 0.00 0.00 36.38 32.99 1f4h s VAL 567 CO 0.04 -0.01 0.17 0.86 0.00 0.00 0.00 175.10 176.16 1f4h s TRP 568 N -1.47 3.45 0.00 5.22 -0.11 -1.00 -0.99 118.94 124.04 1f4h s TRP 568 Ca 0.65 -2.07 0.00 0.00 1.22 0.00 0.00 56.10 55.90 1f4h s TRP 568 Cb -0.32 -2.89 0.00 0.00 -1.50 0.00 0.00 33.47 28.76 1f4h s TRP 568 CO 0.38 -0.90 0.00 -0.40 -4.62 0.00 0.00 176.95 171.41 1f4h n ASP 569 N 4.68 0.00 0.11 5.86 3.85 0.34 0.13 116.55 131.53 1f4h n ASP 569 Ca -0.07 -0.68 -0.05 0.00 -0.71 0.00 0.00 54.79 53.28 1f4h n ASP 569 Cb 0.42 0.00 -0.02 0.00 -1.35 0.00 0.00 41.12 40.17 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 0.68 -0.31 -2.78 2.11 2.91 -1.11 -2.82 115.95 114.63 1f4h h TRP 570 Ca 0.00 -0.01 -0.60 0.00 1.13 0.00 0.00 58.89 59.41 1f4h h TRP 570 Cb 0.00 0.10 -0.11 0.00 -0.51 0.00 0.00 29.16 28.64 1f4h h TRP 570 CO 0.00 -0.19 -0.66 0.08 -1.03 0.00 0.00 178.44 176.63 1f4h s VAL 571 N -2.70 3.61 -0.09 2.65 1.01 -1.26 -1.68 120.40 121.95 1f4h s VAL 571 Ca -0.05 -1.53 -0.30 0.00 0.00 0.00 0.00 61.98 60.10 1f4h s VAL 571 Cb 0.00 -2.83 -0.02 0.00 0.00 0.00 0.00 36.38 33.53 1f4h s VAL 571 CO 0.15 -0.15 1.06 -1.81 0.00 0.00 0.00 175.10 174.34 1f4h s ASP 572 N -3.05 7.19 -0.11 3.32 1.01 -0.98 -4.15 116.67 119.90 1f4h s ASP 572 Ca 0.28 1.62 -0.00 0.00 0.71 0.00 0.00 52.55 55.15 1f4h s ASP 572 Cb -0.09 -2.56 0.08 0.00 1.01 0.00 0.00 42.92 41.36 1f4h s ASP 572 CO 0.18 -0.48 2.00 0.00 0.21 0.00 0.00 175.17 177.08 1f4h n GLN 573 N 5.02 1.28 -2.94 8.23 6.02 -0.72 -4.12 117.38 130.16 1f4h n GLN 573 Ca 0.09 -0.55 -0.32 0.00 -0.01 0.00 0.00 57.00 56.21 1f4h n GLN 573 Cb 0.48 -1.22 -0.06 0.00 1.02 0.00 0.00 30.24 30.47 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 1.35 6.77 -0.05 1.08 1.04 -1.26 -4.83 113.70 117.80 1f4h s SER 574 Ca 0.11 1.40 0.06 0.00 0.48 0.00 0.00 55.95 58.00 1f4h s SER 574 Cb 0.09 -2.43 -0.01 0.00 0.10 0.00 0.00 66.02 63.77 1f4h s SER 574 CO -0.00 -0.31 -0.25 -0.76 0.98 0.00 0.00 173.24 172.90 1f4h s LEU 575 N -3.26 2.06 0.19 2.42 1.43 0.19 -4.36 118.68 117.35 1f4h s LEU 575 Ca 0.56 -0.50 -0.30 0.00 -1.03 0.00 0.00 54.13 52.87 1f4h s LEU 575 Cb -0.10 -1.35 -0.08 0.00 0.03 0.00 0.00 46.19 44.69 1f4h s LEU 575 CO 0.19 0.26 1.23 -0.63 0.23 0.00 0.00 176.35 177.63 1f4h s ILE 576 N -0.24 3.46 0.17 -0.59 1.01 -0.93 -0.04 121.20 124.04 1f4h s ILE 576 Ca -0.01 1.23 0.03 0.00 0.00 0.00 0.00 60.65 61.89 1f4h s ILE 576 Cb -0.13 -3.78 -0.05 0.00 0.01 0.00 0.00 42.46 38.51 1f4h s ILE 576 CO 0.03 0.20 -0.02 -0.54 0.00 0.00 0.00 174.94 174.60 1f4h s LYS 577 N -0.25 1.12 0.07 2.79 1.02 0.27 -4.91 119.74 119.85 1f4h s LYS 577 Ca 0.54 -1.53 0.07 0.00 0.02 0.00 0.00 55.97 55.06 1f4h s LYS 577 Cb -0.34 -0.38 -0.03 0.00 -0.52 0.00 0.00 37.83 36.56 1f4h s LYS 577 CO 0.37 -0.08 -0.19 0.71 -0.92 0.00 0.00 175.35 175.25 1f4h s TYR 578 N -3.56 1.61 0.00 3.18 1.51 -1.26 0.13 117.35 118.96 1f4h s TYR 578 Ca 0.23 -0.40 0.00 0.00 -1.01 0.00 0.00 57.07 55.88 1f4h s TYR 578 Cb 0.05 -0.91 0.00 0.00 -0.11 0.00 0.00 41.96 40.99 1f4h s TYR 578 CO 0.04 0.12 0.00 -0.40 -1.11 0.00 0.00 175.55 174.20 1f4h n ASP 579 N 1.45 0.00 -0.03 2.29 5.68 -0.09 -4.88 116.55 120.97 1f4h n ASP 579 Ca -0.19 -0.74 0.00 0.00 -0.50 0.00 0.00 54.79 53.36 1f4h n ASP 579 Cb 0.54 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.52 1f4h n ASP 579 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 1f4h n GLU 580 N -0.74 0.18 -0.79 0.11 0.28 -1.26 -1.48 120.64 116.95 1f4h n GLU 580 Ca 0.00 0.00 -0.02 0.00 -0.16 0.00 0.00 57.16 56.98 1f4h n GLU 580 Cb 0.00 -1.00 -0.02 0.00 1.43 0.00 0.00 31.44 31.84 1f4h n GLU 580 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1f4h n ASN 581 N -0.45 -0.24 -1.82 -1.84 3.02 -1.26 -5.01 115.26 107.66 1f4h n ASN 581 Ca 0.00 -1.59 -0.15 0.00 -0.03 0.00 0.00 54.58 52.81 1f4h n ASN 581 Cb 0.00 0.05 -0.04 0.00 -0.61 0.00 0.00 39.78 39.18 1f4h n ASN 581 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1f4h n GLY 582 N 0.05 0.68 3.80 7.41 0.00 -0.55 -4.96 105.19 111.63 1f4h n GLY 582 Ca -0.09 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.18 6.76 0.51 1.61 -0.87 -1.26 -4.82 114.94 114.70 1f4h s ASN 583 Ca 0.00 0.91 -0.02 0.00 -1.57 0.00 0.00 52.86 52.17 1f4h s ASN 583 Cb 0.00 -2.26 0.00 0.00 -0.02 0.00 0.00 41.25 38.97 1f4h s ASN 583 CO 0.00 0.22 0.78 -2.16 -2.57 0.00 0.00 177.10 173.37 1f4h s PRO 584 N -0.52 2.99 0.07 -0.60 0.04 -1.26 -0.91 135.00 134.81 1f4h s PRO 584 Ca 0.24 -0.28 -0.26 0.00 0.04 0.00 0.00 61.00 60.74 1f4h s PRO 584 Cb -0.16 -2.43 0.07 0.00 0.04 0.00 0.00 34.50 32.02 1f4h s PRO 584 CO 0.12 -0.47 0.64 1.67 0.04 0.00 0.00 177.00 179.00 1f4h s TRP 585 N -2.75 -0.59 -0.35 0.56 1.48 0.35 -4.94 118.94 112.70 1f4h s TRP 585 Ca 0.51 0.67 -0.22 0.00 -1.06 0.00 0.00 56.10 56.01 1f4h s TRP 585 Cb -0.10 0.50 0.00 0.00 -1.16 0.00 0.00 33.47 32.71 1f4h s TRP 585 CO 0.41 -0.74 0.70 -1.12 -4.06 0.00 0.00 176.95 172.14 1f4h s SER 586 N -2.07 6.50 0.10 -2.66 0.01 -1.26 0.93 113.70 115.25 1f4h s SER 586 Ca -0.04 0.30 0.02 0.00 1.31 0.00 0.00 55.95 57.54 1f4h s SER 586 Cb -0.01 -2.36 -0.04 0.00 0.21 0.00 0.00 66.02 63.83 1f4h s SER 586 CO -0.03 -0.64 0.19 0.00 0.41 0.00 0.00 173.24 173.18 1f4h s ALA 587 N 2.87 3.86 0.00 1.44 0.00 0.94 -4.92 121.76 125.94 1f4h s ALA 587 Ca 0.28 -0.96 0.00 0.00 0.00 0.00 0.00 51.96 51.27 1f4h s ALA 587 Cb -0.14 -1.69 0.00 0.00 0.00 0.00 0.00 23.12 21.29 1f4h s ALA 587 CO 0.15 0.71 0.00 2.48 0.00 0.00 0.00 175.76 179.10 1f4h n TYR 588 N 0.05 0.00 -1.48 0.00 0.18 -1.26 -0.64 117.16 114.00 1f4h n TYR 588 Ca -0.07 0.00 -0.42 0.00 1.88 0.00 0.00 57.90 59.29 1f4h n TYR 588 Cb 0.52 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.48 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 3.17 -1.21 3.31 -7.48 0.00 -1.12 -2.24 105.19 99.62 1f4h n GLY 589 Ca 0.00 0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 1.66 0.24 0.24 -0.02 0.00 -1.26 -4.22 105.19 101.83 1f4h n GLY 590 Ca 0.12 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.24 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 -0.28 0.71 -0.33 1.61 8.00 -0.95 -2.55 116.55 122.76 1f4h n ASP 591 Ca 0.00 -1.52 0.09 0.00 0.71 0.00 0.00 54.79 54.07 1f4h n ASP 591 Cb 0.14 -0.04 0.17 0.00 -0.02 0.00 0.00 41.12 41.37 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 -0.32 0.30 -1.35 1.24 3.01 -1.26 -4.91 117.46 114.17 1f4h n PHE 592 Ca 0.15 -0.91 -0.12 0.00 1.01 0.00 0.00 57.45 57.58 1f4h n PHE 592 Cb 0.18 -0.19 -0.05 0.00 -0.01 0.00 0.00 39.48 39.41 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 -1.03 1.24 3.70 1.37 0.00 -1.06 -4.80 105.19 104.61 1f4h n GLY 593 Ca 0.16 -0.20 -0.42 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.62 7.04 -0.06 1.61 -4.77 -1.25 -5.03 116.67 111.59 1f4h s ASP 594 Ca 0.00 1.97 -0.04 0.00 -3.30 0.00 0.00 52.55 51.19 1f4h s ASP 594 Cb 0.00 -2.57 0.02 0.00 -1.09 0.00 0.00 42.92 39.28 1f4h s ASP 594 CO 0.00 -0.53 0.14 -0.89 0.70 0.00 0.00 175.17 174.59 1f4h s THR 595 N 1.51 -0.02 0.54 2.11 2.01 -1.26 -4.07 115.64 116.46 1f4h s THR 595 Ca 0.59 0.08 -0.12 0.00 0.31 0.00 0.00 61.69 62.54 1f4h s THR 595 Cb -0.28 -0.21 -0.06 0.00 0.01 0.00 0.00 72.50 71.96 1f4h s THR 595 CO 0.27 0.03 0.96 -2.16 -0.69 0.00 0.00 174.62 173.03 1f4h s PRO 596 N 0.57 3.74 0.32 4.92 0.04 -1.26 -5.09 135.00 138.24 1f4h s PRO 596 Ca -0.04 0.74 0.06 0.00 0.04 0.00 0.00 61.00 61.79 1f4h s PRO 596 Cb -0.06 -2.16 -0.03 0.00 0.04 0.00 0.00 34.50 32.29 1f4h s PRO 596 CO -0.03 -0.37 0.28 0.54 0.04 0.00 0.00 177.00 177.47 1f4h s ASN 597 N -3.67 1.50 -0.17 6.66 4.22 -1.26 -4.47 114.94 117.75 1f4h s ASN 597 Ca 0.55 -1.71 0.19 0.00 -2.14 0.00 0.00 52.86 49.75 1f4h s ASN 597 Cb -0.10 0.55 0.46 0.00 1.28 0.00 0.00 41.25 43.43 1f4h s ASN 597 CO 0.43 -1.06 1.17 0.47 -2.04 0.00 0.00 177.10 176.06 1f4h n ASP 598 N -1.44 1.99 0.00 3.54 10.43 -0.61 -4.96 116.55 125.50 1f4h n ASP 598 Ca 0.07 -2.70 0.00 0.00 2.57 0.00 0.00 54.79 54.73 1f4h n ASP 598 Cb 0.63 -0.41 0.00 0.00 1.84 0.00 0.00 41.12 43.18 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 -0.36 0.00 0.22 -1.24 1.85 -1.26 -1.42 116.66 114.45 1f4h n ARG 599 Ca 0.16 0.00 0.16 0.00 -1.00 0.00 0.00 57.85 57.17 1f4h n ARG 599 Cb 0.92 0.00 0.68 0.00 -1.05 0.00 0.00 32.46 33.01 1f4h n ARG 599 CO 0.00 0.00 0.00 1.96 -0.01 0.00 0.00 177.63 179.58 1f4h h GLN 600 N 0.00 0.00 -0.51 2.89 7.50 -1.94 -2.73 115.11 120.32 1f4h h GLN 600 Ca 0.00 0.00 0.15 0.00 0.50 0.00 0.00 58.65 59.30 1f4h h GLN 600 Cb 0.00 0.00 -0.02 0.00 0.05 0.00 0.00 27.48 27.51 1f4h h GLN 600 CO 0.00 0.00 1.01 0.74 -1.50 0.00 0.00 178.83 179.08 1f4h h PHE 601 N 0.00 0.00 -0.01 2.96 0.05 -1.67 1.59 116.94 119.86 1f4h h PHE 601 Ca 0.10 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.89 1f4h h PHE 601 Cb 1.11 0.00 0.00 0.00 2.00 0.00 0.00 35.95 39.06 1f4h h PHE 601 CO 0.00 0.00 -0.01 0.00 -0.18 0.00 0.00 178.31 178.12 1f4h s MET 603 N -2.05 1.70 -0.20 0.00 -1.94 0.54 -1.75 119.30 115.60 1f4h s MET 603 Ca 0.41 -2.34 0.13 0.00 -1.71 0.00 0.00 55.69 52.18 1f4h s MET 603 Cb 0.21 -3.00 0.43 0.00 2.01 0.00 0.00 34.83 34.49 1f4h s MET 603 CO 0.36 -1.10 1.20 0.09 -0.01 0.00 0.00 175.02 175.56 1f4h n ASN 604 N 3.39 2.31 -4.99 3.03 3.02 -1.26 -3.89 115.26 116.87 1f4h n ASN 604 Ca 0.06 -3.51 -0.19 0.00 -0.03 0.00 0.00 54.58 50.91 1f4h n ASN 604 Cb 0.34 -0.45 0.03 0.00 -0.61 0.00 0.00 39.78 39.08 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 -3.18 1.89 0.03 7.41 0.00 -1.24 -0.50 107.32 111.73 1f4h s GLY 605 Ca 0.40 -1.62 0.22 0.00 0.00 0.00 0.00 44.72 43.72 1f4h s GLY 605 CO -0.06 -1.36 0.76 1.04 0.00 0.00 0.00 173.10 173.48 1f4h n LEU 606 N -2.07 0.42 -3.81 0.66 4.77 -0.67 -4.57 117.00 111.72 1f4h n LEU 606 Ca 0.09 -0.01 -0.12 0.00 -0.03 0.00 0.00 56.01 55.94 1f4h n LEU 606 Cb 0.59 -0.03 -0.11 0.00 -2.33 0.00 0.00 43.42 41.55 1f4h n LEU 606 CO 0.41 0.01 -0.10 0.68 -1.33 0.00 0.00 177.39 177.06 1f4h s VAL 607 N -3.35 0.04 0.92 4.08 -7.23 -0.97 -1.68 120.40 112.20 1f4h s VAL 607 Ca -0.02 -0.31 -0.11 0.00 -1.81 0.00 0.00 61.98 59.73 1f4h s VAL 607 Cb 0.14 -0.41 0.10 0.00 0.56 0.00 0.00 36.38 36.76 1f4h s VAL 607 CO 0.86 -0.17 0.88 0.49 -0.31 0.00 0.00 175.10 176.85 1f4h n PHE 608 N 2.17 0.04 0.25 2.82 3.01 0.37 -2.31 117.46 123.81 1f4h n PHE 608 Ca -0.17 0.34 0.02 0.00 1.01 0.00 0.00 57.45 58.65 1f4h n PHE 608 Cb 0.57 -1.93 0.11 0.00 -0.01 0.00 0.00 39.48 38.22 1f4h n PHE 608 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1f4h n ALA 609 N -3.94 1.65 -0.05 4.37 0.00 -1.26 -1.37 120.51 119.91 1f4h n ALA 609 Ca 0.10 -0.02 0.03 0.00 0.00 0.00 0.00 53.44 53.54 1f4h n ALA 609 Cb 0.52 -1.06 0.07 0.00 0.00 0.00 0.00 19.45 18.98 1f4h n ALA 609 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1f4h n ASP 610 N -0.97 2.33 -0.88 0.00 5.75 -1.26 -4.23 116.55 117.29 1f4h n ASP 610 Ca 0.03 -1.93 -0.11 0.00 -0.01 0.00 0.00 54.79 52.77 1f4h n ASP 610 Cb 0.01 -0.10 -0.04 0.00 -1.03 0.00 0.00 41.12 39.97 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 -0.01 -0.75 -3.49 0.11 5.12 -0.47 -5.00 116.66 112.16 1f4h n ARG 611 Ca 0.05 0.81 -0.37 0.00 -1.93 0.00 0.00 57.85 56.40 1f4h n ARG 611 Cb 0.31 -4.78 -0.08 0.00 -1.16 0.00 0.00 32.46 26.75 1f4h n ARG 611 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 1f4h s THR 612 N -2.42 5.27 0.57 0.55 -4.23 -1.26 -4.83 115.64 109.29 1f4h s THR 612 Ca 0.00 0.53 -0.18 0.00 -1.18 0.00 0.00 61.69 60.86 1f4h s THR 612 Cb 0.00 -3.65 -0.04 0.00 1.34 0.00 0.00 72.50 70.15 1f4h s THR 612 CO 0.00 0.31 1.09 -2.16 -0.54 0.00 0.00 174.62 173.32 1f4h s PRO 613 N 1.06 3.30 0.34 3.99 0.04 -1.26 0.14 135.00 142.61 1f4h s PRO 613 Ca 0.15 1.43 -0.04 0.00 0.04 0.00 0.00 61.00 62.58 1f4h s PRO 613 Cb -0.14 -2.01 -0.04 0.00 0.04 0.00 0.00 34.50 32.34 1f4h s PRO 613 CO 0.06 -0.86 0.60 -1.01 0.04 0.00 0.00 177.00 175.83 1f4h s HIS 614 N -2.09 3.50 0.24 0.56 3.76 -0.68 -4.76 115.29 115.82 1f4h s HIS 614 Ca 0.68 0.60 -0.06 0.00 -0.15 0.00 0.00 55.06 56.13 1f4h s HIS 614 Cb -0.20 -2.09 0.30 0.00 1.11 0.00 0.00 32.58 31.70 1f4h s HIS 614 CO 0.31 0.07 1.86 -1.35 -0.85 0.00 0.00 174.74 174.79 1f4h h PRO 615 N 1.14 0.99 -1.06 8.40 0.10 -1.94 -2.30 132.00 137.32 1f4h h PRO 615 Ca -0.48 -0.06 0.28 0.00 0.10 0.00 0.00 66.00 65.84 1f4h h PRO 615 Cb 1.20 -0.22 -0.09 0.00 0.10 0.00 0.00 31.00 31.99 1f4h h PRO 615 CO 0.64 0.65 0.69 0.00 0.10 0.00 0.00 178.00 180.08 1f4h h ALA 616 N 1.38 2.32 -1.20 -0.75 0.00 -1.87 -2.55 119.26 116.59 1f4h h ALA 616 Ca 0.36 0.06 0.43 0.00 0.00 0.00 0.00 54.91 55.76 1f4h h ALA 616 Cb 0.09 0.04 -0.15 0.00 0.00 0.00 0.00 17.79 17.78 1f4h h ALA 616 CO -0.15 -0.74 0.73 1.25 0.00 0.00 0.00 179.25 180.35 1f4h h LEU 617 N 0.35 0.29 -0.20 0.00 5.85 -1.61 0.68 115.31 120.67 1f4h h LEU 617 Ca 0.61 0.19 -0.18 0.00 0.84 0.00 0.00 57.88 59.33 1f4h h LEU 617 Cb 1.62 0.18 0.01 0.00 0.37 0.00 0.00 40.66 42.84 1f4h h LEU 617 CO -0.29 -0.28 -0.60 0.74 -0.34 0.00 0.00 178.44 177.68 1f4h h THR 618 N 0.07 1.30 -0.40 1.05 2.02 -1.66 0.53 112.91 115.82 1f4h h THR 618 Ca 0.84 -1.81 0.08 0.00 0.77 0.00 0.00 66.41 66.29 1f4h h THR 618 Cb 2.43 1.88 -0.07 0.00 -1.74 0.00 0.00 68.15 70.65 1f4h h THR 618 CO -0.57 0.57 -0.09 -0.08 0.37 0.00 0.00 175.52 175.72 1f4h h GLU 619 N 0.47 0.00 0.27 6.66 4.57 0.22 0.41 114.58 127.19 1f4h h GLU 619 Ca -0.02 -0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.15 1f4h h GLU 619 Cb 1.22 -0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.80 1f4h h GLU 619 CO 0.13 0.00 -0.17 0.00 -1.18 0.00 0.00 179.01 177.79 1f4h h ALA 620 N 1.39 -0.42 -0.56 2.92 0.00 -1.25 -0.54 119.26 120.81 1f4h h ALA 620 Ca 0.19 -0.08 0.09 0.00 0.00 0.00 0.00 54.91 55.11 1f4h h ALA 620 Cb 0.29 0.22 -0.07 0.00 0.00 0.00 0.00 17.79 18.23 1f4h h ALA 620 CO -0.40 -0.75 0.17 -0.22 0.00 0.00 0.00 179.25 178.04 1f4h h LYS 621 N -0.43 0.32 -0.18 0.00 3.64 -0.21 0.18 116.57 119.87 1f4h h LYS 621 Ca -0.02 -0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 59.28 1f4h h LYS 621 Cb 0.37 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.11 1f4h h LYS 621 CO 0.02 0.21 -0.10 1.25 -2.27 0.00 0.00 179.45 178.56 1f4h h HIS 622 N 0.33 0.46 -0.56 1.91 2.76 0.15 -2.92 115.15 117.28 1f4h h HIS 622 Ca 0.28 -0.12 0.02 0.00 -2.20 0.00 0.00 60.37 58.36 1f4h h HIS 622 Cb 0.36 -0.10 -0.03 0.00 1.55 0.00 0.00 27.41 29.19 1f4h h HIS 622 CO -0.20 0.70 0.37 1.96 -1.30 0.00 0.00 177.93 179.47 1f4h h GLN 623 N 0.08 0.67 -0.01 5.26 1.08 -0.54 -2.44 115.11 119.22 1f4h h GLN 623 Ca 0.04 -0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1f4h h GLN 623 Cb 0.59 -0.15 0.00 0.00 -0.05 0.00 0.00 27.48 27.87 1f4h h GLN 623 CO 0.03 0.45 -0.01 1.04 -0.95 0.00 0.00 178.83 179.39 1f4h n GLN 624 N -4.46 1.28 -1.74 1.46 6.02 0.57 -4.96 117.38 115.54 1f4h n GLN 624 Ca 0.06 -0.46 -0.38 0.00 -0.01 0.00 0.00 57.00 56.21 1f4h n GLN 624 Cb 0.10 -1.49 0.05 0.00 1.02 0.00 0.00 30.24 29.92 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 -0.46 1.64 0.15 -1.09 10.64 -0.92 -4.85 117.38 122.49 1f4h n GLN 625 Ca 0.21 0.61 0.13 0.00 -1.83 0.00 0.00 57.00 56.12 1f4h n GLN 625 Cb 0.23 -2.58 0.35 0.00 -0.86 0.00 0.00 30.24 27.38 1f4h n GLN 625 CO 0.00 0.00 0.00 0.74 -1.83 0.00 0.00 177.06 175.97 1f4h h PHE 626 N 1.35 0.00 -4.13 2.61 -1.00 -1.90 -3.45 116.94 110.42 1f4h h PHE 626 Ca -0.51 0.00 -0.69 0.00 2.81 0.00 0.00 57.97 59.58 1f4h h PHE 626 Cb 1.31 0.00 -0.31 0.00 3.61 0.00 0.00 35.95 40.56 1f4h h PHE 626 CO 0.45 0.00 -0.88 -0.06 -1.61 0.00 0.00 178.31 176.21 1f4h s PHE 627 N -3.16 2.43 0.15 -0.55 0.40 -1.26 0.58 117.98 116.58 1f4h s PHE 627 Ca 0.09 -0.64 0.10 0.00 -0.60 0.00 0.00 56.93 55.87 1f4h s PHE 627 Cb 0.10 -1.58 -0.04 0.00 0.51 0.00 0.00 43.02 42.00 1f4h s PHE 627 CO 0.61 -0.17 -0.18 -0.65 0.70 0.00 0.00 175.22 175.53 1f4h s GLN 628 N -0.27 1.76 0.06 0.44 -1.52 -0.79 -4.83 119.66 114.51 1f4h s GLN 628 Ca -0.00 -1.31 0.00 0.00 -1.95 0.00 0.00 55.36 52.10 1f4h s GLN 628 Cb -0.13 -2.04 -0.04 0.00 -0.22 0.00 0.00 33.01 30.58 1f4h s GLN 628 CO 0.03 0.44 -0.04 -0.06 -0.25 0.00 0.00 175.29 175.41 1f4h s PHE 629 N -1.42 0.62 -0.10 0.91 0.40 -1.26 -1.64 117.98 115.49 1f4h s PHE 629 Ca 0.20 -0.93 -0.06 0.00 -0.60 0.00 0.00 56.93 55.54 1f4h s PHE 629 Cb -0.09 -0.41 0.04 0.00 0.51 0.00 0.00 43.02 43.06 1f4h s PHE 629 CO 0.11 -0.27 0.24 1.03 0.70 0.00 0.00 175.22 177.03 1f4h s ARG 630 N -3.48 0.23 -0.14 0.44 0.52 -0.88 -5.02 118.95 110.62 1f4h s ARG 630 Ca 0.05 0.44 -0.07 0.00 -0.52 0.00 0.00 55.73 55.64 1f4h s ARG 630 Cb 0.04 -0.02 -0.04 0.00 0.52 0.00 0.00 34.95 35.46 1f4h s ARG 630 CO -0.07 -0.11 0.09 -1.17 0.02 0.00 0.00 175.30 174.06 1f4h s LEU 631 N 0.79 4.02 -0.31 2.53 2.96 -1.26 -0.79 118.68 126.62 1f4h s LEU 631 Ca -0.05 0.25 -0.02 0.00 -0.22 0.00 0.00 54.13 54.08 1f4h s LEU 631 Cb -0.07 -1.99 0.11 0.00 0.50 0.00 0.00 46.19 44.74 1f4h s LEU 631 CO -0.05 0.29 0.13 -0.55 -1.32 0.00 0.00 176.35 174.86 1f4h s SER 632 N -0.35 3.64 1.17 3.68 0.15 -0.02 -5.01 113.70 116.97 1f4h s SER 632 Ca 0.10 -1.53 0.00 0.00 0.70 0.00 0.00 55.95 55.21 1f4h s SER 632 Cb -0.12 -0.54 0.00 0.00 -1.71 0.00 0.00 66.02 63.65 1f4h s SER 632 CO 0.02 -0.41 0.00 0.61 1.20 0.00 0.00 173.24 174.65 1f4h n GLY 633 N 4.95 1.38 0.99 9.45 0.00 -1.26 -1.23 105.19 119.47 1f4h n GLY 633 Ca -0.02 0.15 0.04 0.00 0.00 0.00 0.00 46.02 46.18 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 0.35 -3.71 1.61 10.64 -1.26 -4.96 117.38 120.04 1f4h n GLN 634 Ca 0.00 -1.99 -0.38 0.00 -1.83 0.00 0.00 57.00 52.80 1f4h n GLN 634 Cb 0.00 -0.50 -0.12 0.00 -0.86 0.00 0.00 30.24 28.76 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 -0.73 4.24 -0.18 -0.39 2.01 -0.36 0.88 115.64 121.12 1f4h s THR 635 Ca 0.26 -0.58 -0.15 0.00 0.31 0.00 0.00 61.69 61.53 1f4h s THR 635 Cb 0.28 -3.18 -0.04 0.00 0.01 0.00 0.00 72.50 69.56 1f4h s THR 635 CO -0.10 0.07 0.33 -0.63 -0.69 0.00 0.00 174.62 173.61 1f4h s ILE 636 N 1.55 5.27 -0.23 1.82 1.01 1.03 -0.84 121.20 130.81 1f4h s ILE 636 Ca 0.03 0.61 -0.08 0.00 0.00 0.00 0.00 60.65 61.21 1f4h s ILE 636 Cb -0.17 -3.67 -0.04 0.00 0.01 0.00 0.00 42.46 38.59 1f4h s ILE 636 CO 0.04 0.34 0.10 -1.83 0.00 0.00 0.00 174.94 173.59 1f4h s GLU 637 N 0.80 3.89 -0.20 2.79 -1.05 0.03 0.11 118.70 125.08 1f4h s GLU 637 Ca 0.17 -0.37 -0.04 0.00 -0.15 0.00 0.00 54.97 54.59 1f4h s GLU 637 Cb -0.14 -3.37 -0.02 0.00 -0.44 0.00 0.00 34.13 30.17 1f4h s GLU 637 CO 0.06 0.04 -0.04 0.08 0.95 0.00 0.00 175.26 176.35 1f4h s VAL 638 N 1.05 3.56 -0.11 1.83 1.01 -0.33 -2.07 120.40 125.34 1f4h s VAL 638 Ca 0.05 -0.44 -0.02 0.00 0.00 0.00 0.00 61.98 61.57 1f4h s VAL 638 Cb -0.14 -2.60 -0.03 0.00 0.00 0.00 0.00 36.38 33.61 1f4h s VAL 638 CO 0.04 0.44 -0.04 -0.89 0.00 0.00 0.00 175.10 174.64 1f4h s THR 639 N 1.15 3.92 -0.02 3.92 2.01 -0.65 -0.37 115.64 125.61 1f4h s THR 639 Ca 0.02 -0.38 -0.19 0.00 0.31 0.00 0.00 61.69 61.45 1f4h s THR 639 Cb -0.15 -2.66 -0.05 0.00 0.01 0.00 0.00 72.50 69.65 1f4h s THR 639 CO -0.00 0.56 0.55 -0.55 -0.69 0.00 0.00 174.62 174.49 1f4h s SER 640 N -0.34 6.92 0.00 3.53 0.15 0.20 -1.88 113.70 122.27 1f4h s SER 640 Ca 0.06 1.09 0.15 0.00 0.70 0.00 0.00 55.95 57.95 1f4h s SER 640 Cb -0.12 -2.34 0.11 0.00 -1.71 0.00 0.00 66.02 61.96 1f4h s SER 640 CO 0.02 0.12 0.97 -0.62 1.20 0.00 0.00 173.24 174.93 1f4h n GLU 641 N 2.72 1.13 -2.18 5.44 1.02 0.20 -2.78 120.64 126.19 1f4h n GLU 641 Ca -0.08 -1.37 -0.34 0.00 -0.02 0.00 0.00 57.16 55.35 1f4h n GLU 641 Cb 0.51 -1.29 0.01 0.00 -0.02 0.00 0.00 31.44 30.65 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 -1.28 2.78 -0.11 -0.32 1.51 -1.25 -4.77 117.35 113.90 1f4h s TYR 642 Ca 0.17 1.55 0.08 0.00 -1.01 0.00 0.00 57.07 57.86 1f4h s TYR 642 Cb 0.13 -3.17 -0.13 0.00 -0.11 0.00 0.00 41.96 38.68 1f4h s TYR 642 CO 0.20 -1.36 0.00 1.28 -1.11 0.00 0.00 175.55 174.55 1f4h n LEU 643 N -1.59 0.66 -0.06 -1.29 4.77 -1.26 -0.04 117.00 118.20 1f4h n LEU 643 Ca 0.10 -0.02 -0.07 0.00 -0.03 0.00 0.00 56.01 55.99 1f4h n LEU 643 Cb 0.52 0.10 -0.06 0.00 -2.33 0.00 0.00 43.42 41.65 1f4h n LEU 643 CO 0.44 0.37 -0.87 0.49 -1.33 0.00 0.00 177.39 176.49 1f4h n PHE 644 N -2.52 0.00 -2.56 -1.77 3.01 -1.26 -4.77 117.46 107.59 1f4h n PHE 644 Ca -0.19 0.00 -0.23 0.00 1.01 0.00 0.00 57.45 58.03 1f4h n PHE 644 Cb 0.84 -0.46 0.04 0.00 -0.01 0.00 0.00 39.48 39.89 1f4h n PHE 644 CO 0.00 0.00 0.00 -0.98 1.01 0.00 0.00 176.76 176.79 1f4h s ARG 645 N -2.23 2.61 -0.05 -1.08 1.70 -1.26 -4.81 118.95 113.83 1f4h s ARG 645 Ca -0.13 -0.48 0.06 0.00 -0.47 0.00 0.00 55.73 54.71 1f4h s ARG 645 Cb 0.04 -2.39 -0.01 0.00 -0.57 0.00 0.00 34.95 32.01 1f4h s ARG 645 CO 0.30 -0.76 -0.23 -1.58 -1.08 0.00 0.00 175.30 171.95 1f4h s HIS 646 N -2.88 2.47 0.00 5.89 5.65 -1.26 -2.52 115.29 122.64 1f4h s HIS 646 Ca 0.56 -0.58 0.00 0.00 0.25 0.00 0.00 55.06 55.28 1f4h s HIS 646 Cb -0.10 -1.59 0.00 0.00 -1.18 0.00 0.00 32.58 29.70 1f4h s HIS 646 CO 0.41 -0.13 0.58 0.43 -0.65 0.00 0.00 174.74 175.38 1f4h n SER 647 N 2.78 0.00 -1.60 9.88 7.64 -0.98 -4.42 113.62 126.92 1f4h n SER 647 Ca -0.17 -1.39 0.07 0.00 1.01 0.00 0.00 58.87 58.39 1f4h n SER 647 Cb 0.52 -0.22 0.34 0.00 -1.01 0.00 0.00 64.21 63.84 1f4h n SER 647 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1f4h n ASP 648 N 3.62 4.76 -2.72 6.43 5.68 -1.26 -4.25 116.55 128.81 1f4h n ASP 648 Ca 0.00 -2.60 -0.08 0.00 -0.50 0.00 0.00 54.79 51.61 1f4h n ASP 648 Cb 0.00 -0.61 0.10 0.00 -1.14 0.00 0.00 41.12 39.48 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 0.79 -1.84 -3.71 -1.12 5.15 -1.26 -5.08 115.26 108.19 1f4h n ASN 649 Ca 0.24 -2.91 -0.13 0.00 -0.60 0.00 0.00 54.58 51.17 1f4h n ASN 649 Cb 0.95 1.22 -0.09 0.00 -0.53 0.00 0.00 39.78 41.33 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 0.01 0.57 0.01 1.20 8.01 -1.22 -3.97 118.70 123.31 1f4h s GLU 650 Ca 0.23 0.54 0.03 0.00 0.01 0.00 0.00 54.97 55.77 1f4h s GLU 650 Cb 0.36 0.27 -0.01 0.00 -4.31 0.00 0.00 34.13 30.45 1f4h s GLU 650 CO -0.07 -0.09 -0.09 -1.17 0.01 0.00 0.00 175.26 173.85 1f4h s LEU 651 N 0.02 2.10 -0.31 1.80 2.96 0.15 -2.34 118.68 123.07 1f4h s LEU 651 Ca -0.02 -0.29 -0.12 0.00 -0.22 0.00 0.00 54.13 53.49 1f4h s LEU 651 Cb -0.03 -0.39 -0.03 0.00 0.50 0.00 0.00 46.19 46.24 1f4h s LEU 651 CO 0.01 0.02 0.21 -0.22 -1.32 0.00 0.00 176.35 175.06 1f4h s LEU 652 N -0.67 4.25 -0.20 -0.68 2.96 0.97 0.44 118.68 125.76 1f4h s LEU 652 Ca -0.00 -0.21 -0.15 0.00 -0.22 0.00 0.00 54.13 53.55 1f4h s LEU 652 Cb -0.05 -2.13 -0.04 0.00 0.50 0.00 0.00 46.19 44.47 1f4h s LEU 652 CO 0.00 -0.14 0.36 -2.28 -1.32 0.00 0.00 176.35 172.97 1f4h s HIS 653 N 1.74 3.37 0.12 5.38 5.65 -0.06 0.26 115.29 131.75 1f4h s HIS 653 Ca 0.07 0.56 0.10 0.00 0.25 0.00 0.00 55.06 56.03 1f4h s HIS 653 Cb -0.17 -2.48 -0.04 0.00 -1.18 0.00 0.00 32.58 28.72 1f4h s HIS 653 CO 0.11 0.02 -0.24 1.67 -0.65 0.00 0.00 174.74 175.65 1f4h s TRP 654 N 1.21 2.08 -0.26 3.88 1.48 0.07 -1.20 118.94 126.20 1f4h s TRP 654 Ca 0.17 -0.40 -0.22 0.00 -1.06 0.00 0.00 56.10 54.60 1f4h s TRP 654 Cb -0.14 -1.13 0.07 0.00 -1.16 0.00 0.00 33.47 31.11 1f4h s TRP 654 CO 0.07 0.29 0.67 1.41 -4.06 0.00 0.00 176.95 175.33 1f4h s MET 655 N -2.04 0.76 -0.11 3.25 -2.45 -0.75 -2.26 119.30 115.69 1f4h s MET 655 Ca 0.11 1.00 0.02 0.00 -1.25 0.00 0.00 55.69 55.57 1f4h s MET 655 Cb -0.10 0.32 -0.01 0.00 1.25 0.00 0.00 34.83 36.30 1f4h s MET 655 CO 0.05 -0.11 -0.20 0.08 1.05 0.00 0.00 175.02 175.90 1f4h s VAL 656 N 0.66 2.45 0.02 10.11 1.01 0.88 -0.98 120.40 134.56 1f4h s VAL 656 Ca -0.02 -0.88 0.00 0.00 0.00 0.00 0.00 61.98 61.08 1f4h s VAL 656 Cb -0.05 -1.98 -0.02 0.00 0.00 0.00 0.00 36.38 34.34 1f4h s VAL 656 CO -0.04 0.55 -0.03 0.00 0.00 0.00 0.00 175.10 175.57 1f4h s ALA 657 N 0.34 0.17 -0.51 5.51 0.00 -0.24 -1.23 121.76 125.79 1f4h s ALA 657 Ca -0.16 -0.53 -0.09 0.00 0.00 0.00 0.00 51.96 51.19 1f4h s ALA 657 Cb -0.17 0.11 0.13 0.00 0.00 0.00 0.00 23.12 23.19 1f4h s ALA 657 CO 0.08 -0.11 0.39 -1.17 0.00 0.00 0.00 175.76 174.94 1f4h s LEU 658 N -1.25 5.74 -1.39 0.00 2.96 0.90 -1.18 118.68 124.46 1f4h s LEU 658 Ca -0.13 -2.06 -0.06 0.00 -0.22 0.00 0.00 54.13 51.66 1f4h s LEU 658 Cb -0.08 -2.01 0.03 0.00 0.50 0.00 0.00 46.19 44.63 1f4h s LEU 658 CO -0.01 -0.66 0.87 0.47 -1.32 0.00 0.00 176.35 175.70 1f4h n ASP 659 N 4.71 -3.06 0.00 3.68 8.00 -0.79 -1.38 116.55 127.71 1f4h n ASP 659 Ca -0.05 -0.77 0.00 0.00 0.71 0.00 0.00 54.79 54.68 1f4h n ASP 659 Cb 0.41 -4.13 0.00 0.00 -0.02 0.00 0.00 41.12 37.38 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 -1.64 2.69 3.64 0.44 0.00 -1.26 -4.91 105.19 104.16 1f4h n GLY 660 Ca -0.14 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.49 1f4h n GLY 660 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1f4h s LYS 661 N -0.74 4.13 -0.02 1.61 1.02 -0.48 -4.86 119.74 120.39 1f4h s LYS 661 Ca 0.00 0.27 -0.29 0.00 0.02 0.00 0.00 55.97 55.98 1f4h s LYS 661 Cb 0.00 -3.59 -0.03 0.00 -0.52 0.00 0.00 37.83 33.69 1f4h s LYS 661 CO 0.00 -0.19 0.92 -1.25 -0.92 0.00 0.00 175.35 173.91 1f4h s PRO 662 N 1.79 4.53 -0.00 -1.68 0.04 -1.26 0.31 135.00 138.72 1f4h s PRO 662 Ca 0.20 1.31 0.04 0.00 0.04 0.00 0.00 61.00 62.60 1f4h s PRO 662 Cb -0.15 -3.46 -0.06 0.00 0.04 0.00 0.00 34.50 30.86 1f4h s PRO 662 CO 0.09 -0.04 0.13 1.28 0.04 0.00 0.00 177.00 178.51 1f4h n LEU 663 N 3.92 0.08 -3.64 -3.56 4.77 -0.37 -4.93 117.00 113.27 1f4h n LEU 663 Ca 0.05 -0.20 -0.03 0.00 -0.03 0.00 0.00 56.01 55.79 1f4h n LEU 663 Cb 0.51 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.54 1f4h n LEU 663 CO 0.51 0.02 1.11 0.00 -1.33 0.00 0.00 177.39 177.70 1f4h s ALA 664 N -1.96 -2.15 0.04 -1.18 0.00 -0.90 -4.92 121.76 110.70 1f4h s ALA 664 Ca -0.00 1.77 -0.19 0.00 0.00 0.00 0.00 51.96 53.54 1f4h s ALA 664 Cb 0.03 -1.59 0.04 0.00 0.00 0.00 0.00 23.12 21.59 1f4h s ALA 664 CO 0.19 -0.17 0.43 -1.54 0.00 0.00 0.00 175.76 174.66 1f4h s SER 665 N -0.44 -0.31 0.18 0.00 1.04 -1.26 0.30 113.70 113.22 1f4h s SER 665 Ca 0.07 0.04 -0.23 0.00 0.48 0.00 0.00 55.95 56.31 1f4h s SER 665 Cb -0.03 0.43 0.07 0.00 0.10 0.00 0.00 66.02 66.59 1f4h s SER 665 CO -0.11 -0.66 1.01 -0.83 0.98 0.00 0.00 173.24 173.62 1f4h s GLY 666 N -1.96 -0.03 -0.08 7.32 0.00 -0.96 -4.99 107.32 106.62 1f4h s GLY 666 Ca -0.06 -0.14 -0.07 0.00 0.00 0.00 0.00 44.72 44.46 1f4h s GLY 666 CO -0.02 1.26 0.20 -0.54 0.00 0.00 0.00 173.10 174.00 1f4h s GLU 667 N -2.62 0.22 0.00 2.90 2.02 -1.25 -0.75 118.70 119.22 1f4h s GLU 667 Ca 0.18 0.29 0.02 0.00 0.02 0.00 0.00 54.97 55.48 1f4h s GLU 667 Cb -0.02 0.09 -0.01 0.00 0.10 0.00 0.00 34.13 34.29 1f4h s GLU 667 CO 0.04 -0.04 -0.08 0.08 0.02 0.00 0.00 175.26 175.29 1f4h s VAL 668 N 0.20 0.59 0.13 2.63 1.01 0.14 -4.87 120.40 120.24 1f4h s VAL 668 Ca -0.01 -0.42 -0.24 0.00 0.00 0.00 0.00 61.98 61.31 1f4h s VAL 668 Cb -0.02 -0.52 -0.07 0.00 0.00 0.00 0.00 36.38 35.77 1f4h s VAL 668 CO -0.00 0.10 0.75 -2.84 0.00 0.00 0.00 175.10 173.10 1f4h s PRO 669 N -0.36 4.51 -0.10 2.72 0.02 -1.26 0.32 135.00 140.85 1f4h s PRO 669 Ca 0.01 1.09 -0.20 0.00 0.02 0.00 0.00 61.00 61.93 1f4h s PRO 669 Cb -0.04 -3.28 -0.04 0.00 0.02 0.00 0.00 34.50 31.17 1f4h s PRO 669 CO -0.00 0.53 0.55 -0.51 -0.33 0.00 0.00 177.00 177.24 1f4h s LEU 670 N -0.95 4.29 -0.51 -5.54 1.43 -0.99 -4.89 118.68 111.52 1f4h s LEU 670 Ca 0.35 0.94 0.07 0.00 -1.03 0.00 0.00 54.13 54.46 1f4h s LEU 670 Cb -0.22 -2.82 0.35 0.00 0.03 0.00 0.00 46.19 43.53 1f4h s LEU 670 CO 0.25 -0.03 0.91 -0.67 0.23 0.00 0.00 176.35 177.03 1f4h n ASP 671 N 3.69 3.51 -4.60 2.29 2.03 -1.26 -4.57 116.55 117.64 1f4h n ASP 671 Ca -0.05 -3.49 -0.34 0.00 0.52 0.00 0.00 54.79 51.42 1f4h n ASP 671 Cb 0.52 -0.57 -0.10 0.00 -0.72 0.00 0.00 41.12 40.24 1f4h n ASP 671 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 1f4h s VAL 672 N -4.01 4.26 0.65 5.18 -7.23 -1.26 -4.88 120.40 113.11 1f4h s VAL 672 Ca 0.46 -0.24 -0.11 0.00 -1.81 0.00 0.00 61.98 60.28 1f4h s VAL 672 Cb 0.31 -2.85 -0.02 0.00 0.56 0.00 0.00 36.38 34.38 1f4h s VAL 672 CO -0.12 0.53 1.04 0.00 -0.31 0.00 0.00 175.10 176.24 1f4h s ALA 673 N -0.15 2.94 0.40 1.32 0.00 -1.26 -2.33 121.76 122.68 1f4h s ALA 673 Ca 0.04 -0.03 -0.25 0.00 0.00 0.00 0.00 51.96 51.73 1f4h s ALA 673 Cb -0.13 -3.12 -0.11 0.00 0.00 0.00 0.00 23.12 19.77 1f4h s ALA 673 CO 0.02 -0.89 0.97 -2.30 0.00 0.00 0.00 175.76 173.56 1f4h n PRO 674 N -2.89 1.28 -0.71 0.00 -0.02 -1.05 0.19 135.00 131.79 1f4h n PRO 674 Ca 0.07 0.46 0.00 0.00 -2.02 0.00 0.00 63.50 62.00 1f4h n PRO 674 Cb 0.54 -1.96 0.00 0.00 -0.02 0.00 0.00 33.50 32.06 1f4h n PRO 674 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1f4h n GLN 675 N 0.28 -0.95 -3.10 -0.52 1.13 0.94 -4.89 117.38 110.28 1f4h n GLN 675 Ca 0.10 0.23 -0.18 0.00 -1.94 0.00 0.00 57.00 55.21 1f4h n GLN 675 Cb 0.38 -4.64 0.01 0.00 0.11 0.00 0.00 30.24 26.09 1f4h n GLN 675 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 1f4h s GLY 676 N -1.94 1.97 0.26 1.08 0.00 0.50 -4.69 107.32 104.50 1f4h s GLY 676 Ca 0.00 -1.72 0.07 0.00 0.00 0.00 0.00 44.72 43.07 1f4h s GLY 676 CO 0.00 -1.53 0.24 0.54 0.00 0.00 0.00 173.10 172.35 1f4h s LYS 677 N -4.33 3.00 -0.25 2.90 1.02 -1.26 0.58 119.74 121.41 1f4h s LYS 677 Ca 0.54 -1.02 -0.06 0.00 0.02 0.00 0.00 55.97 55.45 1f4h s LYS 677 Cb -0.09 -2.62 0.13 0.00 -0.52 0.00 0.00 37.83 34.73 1f4h s LYS 677 CO 0.32 0.37 0.48 -1.14 -0.92 0.00 0.00 175.35 174.47 1f4h s GLN 678 N -3.89 0.42 -0.26 1.68 0.74 0.50 -4.71 119.66 114.13 1f4h s GLN 678 Ca 0.34 0.99 -0.25 0.00 0.05 0.00 0.00 55.36 56.49 1f4h s GLN 678 Cb -0.08 0.28 0.00 0.00 1.10 0.00 0.00 33.01 34.31 1f4h s GLN 678 CO 0.26 -0.40 0.88 -0.51 -0.55 0.00 0.00 175.29 174.97 1f4h s LEU 679 N 2.69 4.07 -0.17 3.68 1.43 -1.26 -1.19 118.68 127.93 1f4h s LEU 679 Ca 0.05 1.01 0.01 0.00 -1.03 0.00 0.00 54.13 54.16 1f4h s LEU 679 Cb -0.13 -3.25 0.02 0.00 0.03 0.00 0.00 46.19 42.85 1f4h s LEU 679 CO -0.16 -0.60 -0.18 -0.63 0.23 0.00 0.00 176.35 175.01 1f4h s ILE 680 N 3.01 1.91 -0.15 -0.59 1.01 0.31 -4.95 121.20 121.74 1f4h s ILE 680 Ca 0.37 -0.85 -0.07 0.00 0.00 0.00 0.00 60.65 60.10 1f4h s ILE 680 Cb -0.15 -1.74 -0.04 0.00 0.01 0.00 0.00 42.46 40.54 1f4h s ILE 680 CO 0.09 0.51 0.09 -1.61 0.00 0.00 0.00 174.94 174.02 1f4h s GLU 681 N 1.35 3.72 0.03 2.79 2.02 -1.25 0.34 118.70 127.69 1f4h s GLU 681 Ca 0.05 -0.27 -0.01 0.00 0.02 0.00 0.00 54.97 54.75 1f4h s GLU 681 Cb -0.13 -3.18 -0.04 0.00 0.10 0.00 0.00 34.13 30.88 1f4h s GLU 681 CO -0.12 0.48 0.18 -0.51 0.02 0.00 0.00 175.26 175.31 1f4h s LEU 682 N -0.20 4.30 0.55 1.80 1.43 0.25 -4.97 118.68 121.85 1f4h s LEU 682 Ca 0.09 0.28 -0.21 0.00 -1.03 0.00 0.00 54.13 53.25 1f4h s LEU 682 Cb -0.12 -2.75 -0.05 0.00 0.03 0.00 0.00 46.19 43.30 1f4h s LEU 682 CO 0.01 0.22 1.23 -0.81 0.23 0.00 0.00 176.35 177.23 1f4h n PRO 683 N 0.63 1.47 -1.53 1.29 -0.04 -1.26 -4.64 135.00 130.92 1f4h n PRO 683 Ca -0.08 0.54 -0.61 0.00 -0.04 0.00 0.00 63.50 63.31 1f4h n PRO 683 Cb 0.52 -2.42 -0.09 0.00 -0.04 0.00 0.00 33.50 31.46 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 -0.90 0.00 -2.67 0.54 2.13 -1.26 -4.74 120.64 113.74 1f4h n GLU 684 Ca 0.11 0.00 -0.36 0.00 0.66 0.00 0.00 57.16 57.57 1f4h n GLU 684 Cb 0.45 -1.37 -0.05 0.00 0.27 0.00 0.00 31.44 30.73 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 3.16 4.22 0.35 4.31 1.43 -1.26 -5.02 118.68 125.87 1f4h s LEU 685 Ca 0.98 1.92 -0.28 0.00 -1.03 0.00 0.00 54.13 55.72 1f4h s LEU 685 Cb -1.37 -4.13 -0.10 0.00 0.03 0.00 0.00 46.19 40.61 1f4h s LEU 685 CO 0.73 -0.28 1.36 -2.84 0.23 0.00 0.00 176.35 175.54 1f4h s PRO 686 N -2.34 4.25 -0.07 1.29 0.02 -1.26 -5.07 135.00 131.82 1f4h s PRO 686 Ca 0.54 2.31 0.02 0.00 0.02 0.00 0.00 61.00 63.90 1f4h s PRO 686 Cb -0.19 -3.02 0.01 0.00 0.02 0.00 0.00 34.50 31.32 1f4h s PRO 686 CO 0.25 -0.31 -0.14 1.14 -0.33 0.00 0.00 177.00 177.61 1f4h s GLN 687 N -1.92 1.91 0.58 5.54 -2.07 -1.26 -5.12 119.66 117.32 1f4h s GLN 687 Ca 0.51 -0.48 -0.12 0.00 -1.82 0.00 0.00 55.36 53.45 1f4h s GLN 687 Cb -0.42 -1.55 -0.05 0.00 -1.09 0.00 0.00 33.01 29.90 1f4h s GLN 687 CO 0.56 0.04 0.99 -2.14 -1.32 0.00 0.00 175.29 173.42 1f4h s PRO 688 N 0.64 3.67 0.14 9.60 0.02 -1.26 -4.96 135.00 142.85 1f4h s PRO 688 Ca -0.15 0.74 0.11 0.00 0.02 0.00 0.00 61.00 61.72 1f4h s PRO 688 Cb -0.16 -2.12 -0.14 0.00 0.02 0.00 0.00 34.50 32.10 1f4h s PRO 688 CO 0.04 -0.46 1.20 0.93 -0.33 0.00 0.00 177.00 178.38 1f4h h GLU 689 N 0.03 0.00 -6.37 5.54 4.39 -2.03 -3.45 114.58 112.69 1f4h h GLU 689 Ca -0.45 0.00 -0.58 0.00 0.34 0.00 0.00 59.36 58.67 1f4h h GLU 689 Cb 1.19 0.00 0.18 0.00 -0.10 0.00 0.00 28.75 30.02 1f4h h GLU 689 CO 0.62 0.75 -0.62 0.43 -1.16 0.00 0.00 179.01 179.02 1f4h n SER 690 N -3.24 -1.84 -4.84 1.42 7.64 -1.26 -4.97 113.62 106.53 1f4h n SER 690 Ca -0.02 0.70 -0.32 0.00 1.01 0.00 0.00 58.87 60.23 1f4h n SER 690 Cb 0.89 -1.08 -0.06 0.00 -1.01 0.00 0.00 64.21 62.96 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 -1.81 3.13 0.00 -0.43 0.00 -1.26 -4.83 121.76 116.55 1f4h s ALA 691 Ca 0.65 0.22 0.00 0.00 0.00 0.00 0.00 51.96 52.83 1f4h s ALA 691 Cb -0.45 -3.03 0.00 0.00 0.00 0.00 0.00 23.12 19.64 1f4h s ALA 691 CO 0.58 0.06 0.00 0.41 0.00 0.00 0.00 175.76 176.81 1f4h n GLY 692 N -0.90 2.92 3.72 0.00 0.00 -1.00 -4.95 105.19 104.98 1f4h n GLY 692 Ca 0.06 -2.04 -0.42 0.00 0.00 0.00 0.00 46.02 43.62 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 -2.59 4.50 -0.27 1.61 -0.21 -1.26 -3.25 119.66 118.18 1f4h s GLN 693 Ca 0.00 1.69 -0.12 0.00 0.02 0.00 0.00 55.36 56.95 1f4h s GLN 693 Cb 0.00 -3.35 -0.05 0.00 1.00 0.00 0.00 33.01 30.62 1f4h s GLN 693 CO 0.00 -0.13 0.23 -1.17 -2.12 0.00 0.00 175.29 172.10 1f4h s LEU 694 N 0.65 4.04 -0.05 2.90 1.98 0.11 -1.89 118.68 126.42 1f4h s LEU 694 Ca 0.55 0.08 0.04 0.00 -2.89 0.00 0.00 54.13 51.91 1f4h s LEU 694 Cb -0.28 -2.19 -0.02 0.00 0.66 0.00 0.00 46.19 44.36 1f4h s LEU 694 CO 0.31 -0.06 -0.16 0.26 -1.89 0.00 0.00 176.35 174.80 1f4h s TRP 695 N 1.71 2.65 -0.20 5.38 0.52 -0.32 0.45 118.94 129.13 1f4h s TRP 695 Ca 0.09 -0.22 -0.04 0.00 0.02 0.00 0.00 56.10 55.95 1f4h s TRP 695 Cb -0.16 -1.62 -0.02 0.00 -1.15 0.00 0.00 33.47 30.53 1f4h s TRP 695 CO 0.10 0.14 -0.02 -1.17 0.02 0.00 0.00 176.95 176.02 1f4h s LEU 696 N -0.67 3.12 -0.11 2.99 2.96 0.99 -1.07 118.68 126.88 1f4h s LEU 696 Ca 0.10 -0.26 0.01 0.00 -0.22 0.00 0.00 54.13 53.76 1f4h s LEU 696 Cb -0.11 -1.79 0.02 0.00 0.50 0.00 0.00 46.19 44.81 1f4h s LEU 696 CO 0.00 0.05 -0.13 -0.89 -1.32 0.00 0.00 176.35 174.06 1f4h s THR 697 N 1.09 1.35 0.05 3.68 2.01 -0.15 -0.32 115.64 123.34 1f4h s THR 697 Ca 0.02 -0.54 0.04 0.00 0.31 0.00 0.00 61.69 61.52 1f4h s THR 697 Cb -0.14 -1.26 -0.04 0.00 0.01 0.00 0.00 72.50 71.06 1f4h s THR 697 CO 0.01 0.41 -0.03 0.68 -0.69 0.00 0.00 174.62 175.01 1f4h s VAL 698 N 1.19 3.90 -0.01 3.82 -7.23 -0.27 -1.82 120.40 119.98 1f4h s VAL 698 Ca -0.03 -0.86 0.02 0.00 -1.81 0.00 0.00 61.98 59.30 1f4h s VAL 698 Cb -0.14 -2.79 -0.00 0.00 0.56 0.00 0.00 36.38 34.01 1f4h s VAL 698 CO -0.04 0.25 -0.08 -0.13 -0.31 0.00 0.00 175.10 174.79 1f4h s ARG 699 N -1.88 0.75 -0.17 4.82 0.52 -0.34 -1.59 118.95 121.06 1f4h s ARG 699 Ca 0.22 -0.29 -0.13 0.00 -0.52 0.00 0.00 55.73 55.01 1f4h s ARG 699 Cb -0.11 -0.72 -0.05 0.00 0.52 0.00 0.00 34.95 34.59 1f4h s ARG 699 CO 0.13 0.15 0.25 0.08 0.02 0.00 0.00 175.30 175.93 1f4h s VAL 700 N -0.03 5.34 0.01 3.52 1.01 -0.51 -0.89 120.40 128.84 1f4h s VAL 700 Ca 0.01 0.45 0.07 0.00 0.00 0.00 0.00 61.98 62.51 1f4h s VAL 700 Cb -0.05 -3.59 -0.03 0.00 0.00 0.00 0.00 36.38 32.71 1f4h s VAL 700 CO -0.00 0.40 -0.22 -0.69 0.00 0.00 0.00 175.10 174.59 1f4h s VAL 701 N 0.44 2.43 -0.69 2.92 1.01 0.17 -1.21 120.40 125.47 1f4h s VAL 701 Ca 0.14 -1.14 -0.14 0.00 0.00 0.00 0.00 61.98 60.84 1f4h s VAL 701 Cb -0.12 -1.93 0.18 0.00 0.00 0.00 0.00 36.38 34.50 1f4h s VAL 701 CO 0.02 0.47 0.63 -1.10 0.00 0.00 0.00 175.10 175.12 1f4h s GLN 702 N -1.00 3.27 0.39 2.72 -0.21 -0.45 0.35 119.66 124.72 1f4h s GLN 702 Ca 0.12 -2.12 0.06 0.00 0.02 0.00 0.00 55.36 53.44 1f4h s GLN 702 Cb -0.10 -4.33 0.80 0.00 1.00 0.00 0.00 33.01 30.38 1f4h s GLN 702 CO 0.02 -1.30 2.02 -1.35 -2.12 0.00 0.00 175.29 172.56 1f4h h PRO 703 N 8.25 0.63 -6.49 2.91 0.11 -1.88 3.36 132.00 138.89 1f4h h PRO 703 Ca -0.08 -0.04 -0.67 0.00 0.11 0.00 0.00 66.00 65.32 1f4h h PRO 703 Cb 1.06 -0.14 -0.18 0.00 0.11 0.00 0.00 31.00 31.85 1f4h h PRO 703 CO 0.88 0.42 -0.75 -0.80 -0.21 0.00 0.00 178.00 177.53 1f4h s ASN 704 N -6.50 4.26 0.65 -2.05 -0.87 -1.26 -3.97 114.94 105.20 1f4h s ASN 704 Ca -0.09 -0.33 -0.14 0.00 -1.57 0.00 0.00 52.86 50.73 1f4h s ASN 704 Cb 0.18 -0.83 -0.01 0.00 -0.02 0.00 0.00 41.25 40.57 1f4h s ASN 704 CO 0.75 0.23 1.07 0.00 -2.57 0.00 0.00 177.10 176.58 1f4h s ALA 705 N -1.06 2.63 0.00 0.60 0.00 -1.26 -4.53 121.76 118.14 1f4h s ALA 705 Ca 0.18 0.33 0.00 0.00 0.00 0.00 0.00 51.96 52.46 1f4h s ALA 705 Cb -0.11 -3.23 0.00 0.00 0.00 0.00 0.00 23.12 19.78 1f4h s ALA 705 CO 0.09 -1.08 0.00 0.25 0.00 0.00 0.00 175.76 175.02 1f4h n THR 706 N -2.52 0.00 0.44 0.00 -2.24 -0.28 -4.96 114.28 104.72 1f4h n THR 706 Ca 0.09 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.99 1f4h n THR 706 Cb 0.53 0.00 0.32 0.00 -2.10 0.00 0.00 70.33 69.08 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 1.00 1.00 0.00 6.98 0.00 -1.99 -3.35 119.26 122.90 1f4h h ALA 707 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1f4h h ALA 707 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1f4h h ALA 707 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 179.25 176.58 1f4h n TRP 708 N -2.64 0.00 -4.27 0.00 4.27 -1.26 -5.07 117.44 108.47 1f4h n TRP 708 Ca 0.05 0.00 -0.18 0.00 -3.89 0.00 0.00 57.50 53.48 1f4h n TRP 708 Cb 0.46 0.00 -0.11 0.00 -1.36 0.00 0.00 31.31 30.30 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 -0.07 2.11 0.81 -0.67 1.04 -1.26 -4.75 113.70 110.90 1f4h s SER 709 Ca 0.00 -0.88 -0.09 0.00 0.48 0.00 0.00 55.95 55.46 1f4h s SER 709 Cb 0.00 -0.08 0.13 0.00 0.10 0.00 0.00 66.02 66.17 1f4h s SER 709 CO 0.00 -0.17 1.14 -1.61 0.98 0.00 0.00 173.24 173.58 1f4h s GLU 710 N -2.99 1.50 0.35 4.02 0.41 -1.26 -1.12 118.70 119.61 1f4h s GLU 710 Ca 0.13 -0.44 -0.25 0.00 -0.41 0.00 0.00 54.97 53.99 1f4h s GLU 710 Cb -0.03 -2.06 -0.10 0.00 -1.78 0.00 0.00 34.13 30.16 1f4h s GLU 710 CO 0.03 -1.75 0.98 0.00 -0.49 0.00 0.00 175.26 174.03 1f4h s ALA 711 N -3.50 3.18 -0.16 5.21 0.00 -1.26 -2.95 121.76 122.27 1f4h s ALA 711 Ca 0.67 0.58 0.00 0.00 0.00 0.00 0.00 51.96 53.20 1f4h s ALA 711 Cb -0.07 -3.21 0.00 0.00 0.00 0.00 0.00 23.12 19.84 1f4h s ALA 711 CO 0.48 0.06 0.00 0.41 0.00 0.00 0.00 175.76 176.71 1f4h n GLY 712 N 0.46 0.49 3.74 0.00 0.00 1.12 -4.96 105.19 106.03 1f4h n GLY 712 Ca 0.03 -1.01 -0.41 0.00 0.00 0.00 0.00 46.02 44.64 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 -2.06 3.84 -0.22 1.61 5.04 -1.15 -4.77 115.29 117.59 1f4h s HIS 713 Ca 0.00 1.78 -0.16 0.00 -1.54 0.00 0.00 55.06 55.14 1f4h s HIS 713 Cb 0.00 -3.00 -0.04 0.00 0.04 0.00 0.00 32.58 29.58 1f4h s HIS 713 CO 0.00 0.28 0.42 0.42 -2.34 0.00 0.00 174.74 173.52 1f4h s ILE 714 N -0.30 5.17 -0.07 0.89 1.01 -1.26 -1.35 121.20 125.29 1f4h s ILE 714 Ca 0.44 0.73 0.00 0.00 0.00 0.00 0.00 60.65 61.83 1f4h s ILE 714 Cb -0.24 -3.75 -0.26 0.00 0.01 0.00 0.00 42.46 38.23 1f4h s ILE 714 CO 0.29 0.21 0.57 0.77 0.00 0.00 0.00 174.94 176.78 1f4h h SER 715 N 7.59 0.28 -5.32 3.58 4.64 -1.54 -3.50 113.55 119.29 1f4h h SER 715 Ca -0.34 -0.57 -0.15 0.00 -0.47 0.00 0.00 61.79 60.26 1f4h h SER 715 Cb 1.16 -0.09 -0.07 0.00 -0.31 0.00 0.00 62.40 63.09 1f4h h SER 715 CO 0.71 1.50 -0.07 0.00 -0.87 0.00 0.00 176.83 178.10 1f4h s ALA 716 N -2.58 0.12 0.07 5.18 0.00 -1.25 -4.71 121.76 118.59 1f4h s ALA 716 Ca -0.14 -1.15 -0.28 0.00 0.00 0.00 0.00 51.96 50.39 1f4h s ALA 716 Cb 0.07 1.02 0.09 0.00 0.00 0.00 0.00 23.12 24.31 1f4h s ALA 716 CO 0.81 -0.85 1.11 1.67 0.00 0.00 0.00 175.76 178.49 1f4h s TRP 717 N -3.20 -0.10 -0.19 0.00 -2.14 -1.26 -1.43 118.94 110.63 1f4h s TRP 717 Ca 0.25 -0.11 -0.30 0.00 2.66 0.00 0.00 56.10 58.60 1f4h s TRP 717 Cb -0.02 0.59 0.15 0.00 -3.10 0.00 0.00 33.47 31.09 1f4h s TRP 717 CO 0.15 -0.56 1.10 -1.14 -2.66 0.00 0.00 176.95 173.84 1f4h s GLN 718 N -2.88 0.44 -0.01 3.25 2.00 -0.62 -5.01 119.66 116.83 1f4h s GLN 718 Ca 0.13 0.09 -0.01 0.00 -2.00 0.00 0.00 55.36 53.57 1f4h s GLN 718 Cb 0.01 0.21 0.00 0.00 0.80 0.00 0.00 33.01 34.03 1f4h s GLN 718 CO -0.01 -0.14 0.03 -1.14 -0.50 0.00 0.00 175.29 173.53 1f4h s GLN 719 N -1.16 0.03 0.08 1.67 0.74 -1.26 -1.11 119.66 118.64 1f4h s GLN 719 Ca 0.02 0.05 0.07 0.00 0.05 0.00 0.00 55.36 55.54 1f4h s GLN 719 Cb -0.01 -0.00 -0.03 0.00 1.10 0.00 0.00 33.01 34.07 1f4h s GLN 719 CO -0.02 -0.02 -0.17 -1.58 -0.55 0.00 0.00 175.29 172.96 1f4h s TRP 720 N 0.10 1.49 -0.04 1.67 0.51 0.56 -4.97 118.94 118.26 1f4h s TRP 720 Ca -0.01 -0.43 -0.18 0.00 -2.12 0.00 0.00 56.10 53.37 1f4h s TRP 720 Cb -0.01 -0.84 -0.05 0.00 -0.81 0.00 0.00 33.47 31.76 1f4h s TRP 720 CO -0.00 0.12 0.49 0.50 -0.51 0.00 0.00 176.95 177.55 1f4h s ARG 721 N -1.71 4.20 0.00 4.98 3.52 -1.26 -0.01 118.95 128.68 1f4h s ARG 721 Ca 0.02 0.53 0.00 0.00 -0.13 0.00 0.00 55.73 56.16 1f4h s ARG 721 Cb -0.10 -3.33 0.00 0.00 -1.56 0.00 0.00 34.95 29.96 1f4h s ARG 721 CO 0.03 0.40 0.00 1.28 -0.81 0.00 0.00 175.30 176.20 1f4h n LEU 722 N 2.74 1.35 -4.38 -0.88 4.77 1.58 -4.88 117.00 117.30 1f4h n LEU 722 Ca -0.09 0.00 -0.19 0.00 -0.03 0.00 0.00 56.01 55.69 1f4h n LEU 722 Cb 0.52 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.50 1f4h n LEU 722 CO 0.41 0.00 -0.40 0.00 -1.33 0.00 0.00 177.39 176.08 1f4h s ALA 723 N -4.54 2.13 -0.04 -1.18 0.00 -1.23 -4.95 121.76 111.95 1f4h s ALA 723 Ca 0.00 -1.77 0.07 0.00 0.00 0.00 0.00 51.96 50.25 1f4h s ALA 723 Cb 0.00 0.09 -0.01 0.00 0.00 0.00 0.00 23.12 23.20 1f4h s ALA 723 CO 0.00 -0.03 -0.25 -2.00 0.00 0.00 0.00 175.76 173.48 1f4h s GLU 724 N -3.70 2.38 -0.66 0.00 2.12 -1.26 0.05 118.70 117.62 1f4h s GLU 724 Ca 0.26 -0.91 0.05 0.00 0.36 0.00 0.00 54.97 54.73 1f4h s GLU 724 Cb 0.02 -2.13 0.18 0.00 0.26 0.00 0.00 34.13 32.47 1f4h s GLU 724 CO 0.09 0.46 0.52 0.09 -0.54 0.00 0.00 175.26 175.88 1f4h n ASN 725 N 2.73 2.74 -4.50 -1.70 3.02 -1.20 -4.97 115.26 111.37 1f4h n ASN 725 Ca -0.17 -3.16 -0.52 0.00 -0.03 0.00 0.00 54.58 50.71 1f4h n ASN 725 Cb 0.52 -0.72 -0.05 0.00 -0.61 0.00 0.00 39.78 38.91 1f4h n ASN 725 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1f4h n LEU 726 N 1.87 0.18 -4.59 3.41 4.77 -1.26 -2.37 117.00 119.01 1f4h n LEU 726 Ca 0.22 1.14 -0.42 0.00 -0.03 0.00 0.00 56.01 56.93 1f4h n LEU 726 Cb 0.37 -1.04 -0.02 0.00 -2.33 0.00 0.00 43.42 40.40 1f4h n LEU 726 CO 0.27 -2.03 1.16 -0.55 -1.33 0.00 0.00 177.39 174.91 1f4h s SER 727 N -0.33 6.36 -0.39 -1.43 0.15 -1.26 -4.90 113.70 111.89 1f4h s SER 727 Ca 0.76 0.36 0.05 0.00 0.70 0.00 0.00 55.95 57.81 1f4h s SER 727 Cb -1.00 -2.55 0.46 0.00 -1.71 0.00 0.00 66.02 61.22 1f4h s SER 727 CO 0.55 -1.51 1.45 1.33 1.20 0.00 0.00 173.24 176.26 1f4h n VAL 728 N 6.84 2.83 -3.99 4.45 0.24 -1.26 -4.90 118.33 122.55 1f4h n VAL 728 Ca 0.12 -3.74 -0.31 0.00 -2.04 0.00 0.00 64.34 58.37 1f4h n VAL 728 Cb 0.49 -1.07 -0.15 0.00 -1.47 0.00 0.00 33.84 31.64 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 -4.53 2.13 -0.03 3.34 -4.23 -1.26 -5.08 115.64 105.98 1f4h s THR 729 Ca 0.54 -2.23 -0.30 0.00 -1.18 0.00 0.00 61.69 58.52 1f4h s THR 729 Cb 0.44 -2.57 -0.06 0.00 1.34 0.00 0.00 72.50 71.65 1f4h s THR 729 CO 0.02 -0.59 1.59 -1.48 -0.54 0.00 0.00 174.62 173.62 1f4h s LEU 730 N 0.98 4.32 0.74 4.79 2.34 -1.26 -4.97 118.68 125.63 1f4h s LEU 730 Ca 0.10 2.23 -0.16 0.00 0.06 0.00 0.00 54.13 56.37 1f4h s LEU 730 Cb -0.19 -3.54 0.00 0.00 -0.56 0.00 0.00 46.19 41.90 1f4h s LEU 730 CO -0.10 -0.88 0.85 -0.81 -1.06 0.00 0.00 176.35 174.35 1f4h n PRO 731 N 6.53 0.38 -1.62 1.48 -0.04 -1.26 -4.88 135.00 135.60 1f4h n PRO 731 Ca 0.16 0.18 -0.43 0.00 -0.04 0.00 0.00 63.50 63.37 1f4h n PRO 731 Cb 0.43 -2.12 -0.03 0.00 -0.04 0.00 0.00 33.50 31.73 1f4h n PRO 731 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1f4h n ALA 732 N -2.60 1.63 -0.87 0.55 0.00 -1.26 -4.82 120.51 113.14 1f4h n ALA 732 Ca 0.12 -0.03 -0.30 0.00 0.00 0.00 0.00 53.44 53.23 1f4h n ALA 732 Cb 0.50 -2.79 -0.10 0.00 0.00 0.00 0.00 19.45 17.05 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 9.73 0.55 0.00 0.00 0.00 -1.26 -4.76 120.51 124.77 1f4h n ALA 733 Ca 0.26 -2.24 0.00 0.00 0.00 0.00 0.00 53.44 51.46 1f4h n ALA 733 Cb 0.42 -3.07 0.00 0.00 0.00 0.00 0.00 19.45 16.79 1f4h n ALA 733 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1f4h n SER 734 N 11.16 0.00 0.00 0.00 3.41 -1.26 -4.76 113.62 122.18 1f4h n SER 734 Ca 0.38 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.99 1f4h n SER 734 Cb 0.42 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 64.38 1f4h n SER 734 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1f4h n HIS 735 N 0.21 0.00 -3.81 7.33 8.25 -1.26 -4.74 115.22 121.19 1f4h n HIS 735 Ca 0.00 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.37 1f4h n HIS 735 Cb 0.00 -0.16 -0.04 0.00 1.12 0.00 0.00 29.99 30.91 1f4h n HIS 735 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1f4h s ALA 736 N -2.33 -0.88 0.15 -1.41 0.00 -1.26 -5.17 121.76 110.86 1f4h s ALA 736 Ca 0.01 -0.36 0.09 0.00 0.00 0.00 0.00 51.96 51.70 1f4h s ALA 736 Cb 0.00 0.90 -0.04 0.00 0.00 0.00 0.00 23.12 23.98 1f4h s ALA 736 CO 0.01 -0.87 -0.21 -1.50 0.00 0.00 0.00 175.76 173.18 1f4h s ILE 737 N -3.91 1.94 0.23 0.00 2.07 -1.26 -4.01 121.20 116.26 1f4h s ILE 737 Ca 0.12 -1.80 -0.30 0.00 -1.41 0.00 0.00 60.65 57.27 1f4h s ILE 737 Cb -0.02 -1.82 -0.09 0.00 0.13 0.00 0.00 42.46 40.66 1f4h s ILE 737 CO 0.02 -0.15 1.06 -2.16 -1.91 0.00 0.00 174.94 171.80 1f4h s PRO 738 N -2.40 4.68 0.03 3.50 0.04 -1.26 -4.93 135.00 134.66 1f4h s PRO 738 Ca 0.13 1.69 -0.12 0.00 0.04 0.00 0.00 61.00 62.75 1f4h s PRO 738 Cb -0.08 -3.25 -0.06 0.00 0.04 0.00 0.00 34.50 31.16 1f4h s PRO 738 CO 0.06 0.24 0.39 -1.01 0.04 0.00 0.00 177.00 176.72 1f4h s HIS 739 N -0.82 3.65 -0.06 0.56 3.76 0.96 -4.85 115.29 118.49 1f4h s HIS 739 Ca 0.45 0.87 0.04 0.00 -0.15 0.00 0.00 55.06 56.27 1f4h s HIS 739 Cb -0.29 -2.20 -0.02 0.00 1.11 0.00 0.00 32.58 31.17 1f4h s HIS 739 CO 0.37 0.59 -0.18 -1.17 -0.85 0.00 0.00 174.74 173.50 1f4h s LEU 740 N -1.46 2.50 -0.00 0.89 2.96 -1.26 0.19 118.68 122.49 1f4h s LEU 740 Ca 0.27 -0.32 0.02 0.00 -0.22 0.00 0.00 54.13 53.89 1f4h s LEU 740 Cb -0.15 -1.49 -0.01 0.00 0.50 0.00 0.00 46.19 45.04 1f4h s LEU 740 CO 0.15 0.29 -0.08 -0.89 -1.32 0.00 0.00 176.35 174.50 1f4h s THR 741 N -0.42 0.60 0.28 3.68 2.01 -1.06 -5.03 115.64 115.70 1f4h s THR 741 Ca 0.05 -0.39 0.05 0.00 0.31 0.00 0.00 61.69 61.71 1f4h s THR 741 Cb -0.12 -0.52 -0.06 0.00 0.01 0.00 0.00 72.50 71.81 1f4h s THR 741 CO 0.02 0.12 -0.03 -0.89 -0.69 0.00 0.00 174.62 173.15 1f4h s THR 742 N -0.28 1.44 0.31 -0.82 2.01 -1.26 -2.29 115.64 114.75 1f4h s THR 742 Ca 0.02 -2.08 -0.12 0.00 0.31 0.00 0.00 61.69 59.82 1f4h s THR 742 Cb -0.03 -2.48 0.05 0.00 0.01 0.00 0.00 72.50 70.05 1f4h s THR 742 CO -0.00 -0.26 0.65 -1.54 -0.69 0.00 0.00 174.62 172.77 1f4h n SER 743 N -0.56 -1.83 0.06 3.53 3.41 -1.08 -5.03 113.62 112.12 1f4h n SER 743 Ca -0.05 -2.25 0.12 0.00 -0.26 0.00 0.00 58.87 56.43 1f4h n SER 743 Cb 0.64 3.04 0.28 0.00 -0.26 0.00 0.00 64.21 67.92 1f4h n SER 743 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 1f4h n GLU 744 N -0.44 0.22 -0.01 4.33 0.28 -1.26 -4.11 120.64 119.64 1f4h n GLU 744 Ca -0.07 0.10 -0.21 0.00 -0.16 0.00 0.00 57.16 56.81 1f4h n GLU 744 Cb 0.48 -1.67 -0.13 0.00 1.43 0.00 0.00 31.44 31.54 1f4h n GLU 744 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 177.13 177.49 1f4h h MET 745 N 0.00 0.21 -3.08 3.44 2.86 -1.96 -3.45 114.93 112.95 1f4h h MET 745 Ca 0.00 -0.35 -0.03 0.00 -2.06 0.00 0.00 59.70 57.26 1f4h h MET 745 Cb 0.69 0.13 -0.01 0.00 0.06 0.00 0.00 31.60 32.47 1f4h h MET 745 CO 0.00 1.17 0.24 0.16 1.06 0.00 0.00 176.91 179.54 1f4h s ASP 746 N -7.00 0.05 0.01 1.22 1.47 -1.26 -1.22 116.67 109.94 1f4h s ASP 746 Ca -0.22 -1.14 0.08 0.00 1.18 0.00 0.00 52.55 52.44 1f4h s ASP 746 Cb 0.05 0.83 -0.03 0.00 -0.34 0.00 0.00 42.92 43.44 1f4h s ASP 746 CO 0.74 -1.65 -0.24 -0.36 0.68 0.00 0.00 175.17 174.34 1f4h s PHE 747 N -2.44 2.39 -0.01 2.11 2.99 0.48 -2.62 117.98 120.89 1f4h s PHE 747 Ca 0.16 -0.38 0.02 0.00 0.00 0.00 0.00 56.93 56.73 1f4h s PHE 747 Cb -0.05 -1.47 -0.00 0.00 0.00 0.00 0.00 43.02 41.50 1f4h s PHE 747 CO 0.12 0.08 -0.07 0.00 -0.00 0.00 0.00 175.22 175.35 1f4h s ILE 749 N -0.02 2.50 -0.01 0.00 1.09 -1.14 -2.55 121.20 121.08 1f4h s ILE 749 Ca 0.01 -0.93 0.02 0.00 -1.10 0.00 0.00 60.65 58.64 1f4h s ILE 749 Cb -0.04 -1.93 -0.00 0.00 -1.06 0.00 0.00 42.46 39.42 1f4h s ILE 749 CO -0.00 0.58 -0.05 -1.83 -0.10 0.00 0.00 174.94 173.54 1f4h s GLU 750 N -0.57 0.45 -0.30 2.79 1.03 0.50 -1.91 118.70 120.70 1f4h s GLU 750 Ca 0.08 -0.18 -0.10 0.00 0.03 0.00 0.00 54.97 54.80 1f4h s GLU 750 Cb -0.11 -0.45 0.13 0.00 -0.80 0.00 0.00 34.13 32.91 1f4h s GLU 750 CO 0.00 0.10 0.66 -1.17 -1.33 0.00 0.00 175.26 173.52 1f4h s LEU 751 N -0.03 -1.13 0.00 1.83 2.96 -0.88 0.32 118.68 121.75 1f4h s LEU 751 Ca 0.01 1.54 0.00 0.00 -0.22 0.00 0.00 54.13 55.46 1f4h s LEU 751 Cb -0.03 2.29 0.00 0.00 0.50 0.00 0.00 46.19 48.94 1f4h s LEU 751 CO -0.00 -0.22 0.00 0.61 -1.32 0.00 0.00 176.35 175.42 1f4h n GLY 752 N 5.43 3.88 0.02 7.98 0.00 -1.26 -0.19 105.19 121.06 1f4h n GLY 752 Ca -0.12 -0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.01 1f4h n GLY 752 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1f4h n ASN 753 N 6.87 0.63 -4.74 1.61 0.23 -1.26 -4.91 115.26 113.69 1f4h n ASN 753 Ca 0.00 -0.36 -0.41 0.00 -0.53 0.00 0.00 54.58 53.28 1f4h n ASN 753 Cb 0.00 0.90 -0.03 0.00 -2.08 0.00 0.00 39.78 38.58 1f4h n ASN 753 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 1f4h s LYS 754 N -3.17 4.32 -0.26 -3.83 1.02 0.73 -1.82 119.74 116.73 1f4h s LYS 754 Ca 0.04 2.17 -0.11 0.00 0.02 0.00 0.00 55.97 58.09 1f4h s LYS 754 Cb 0.15 -3.16 0.10 0.00 -0.52 0.00 0.00 37.83 34.40 1f4h s LYS 754 CO 0.82 -0.36 0.60 0.50 -0.92 0.00 0.00 175.35 175.99 1f4h s ARG 755 N -0.03 0.56 0.53 1.68 3.52 0.16 -2.06 118.95 123.30 1f4h s ARG 755 Ca 0.59 1.24 0.07 0.00 -0.13 0.00 0.00 55.73 57.50 1f4h s ARG 755 Cb -0.39 0.45 0.07 0.00 -1.56 0.00 0.00 34.95 33.52 1f4h s ARG 755 CO 0.39 -0.19 0.56 0.91 -0.81 0.00 0.00 175.30 176.16 1f4h n TRP 756 N 4.95 -1.44 -3.44 5.12 8.01 -0.80 0.13 117.44 129.96 1f4h n TRP 756 Ca -0.15 -2.09 0.02 0.00 -1.31 0.00 0.00 57.50 53.97 1f4h n TRP 756 Cb 0.53 -0.47 -0.05 0.00 -2.01 0.00 0.00 31.31 29.31 1f4h n TRP 756 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 177.69 175.54 1f4h s GLN 757 N -4.28 0.17 -0.09 -0.99 0.74 -0.49 -2.88 119.66 111.85 1f4h s GLN 757 Ca 0.42 0.36 0.01 0.00 0.05 0.00 0.00 55.36 56.20 1f4h s GLN 757 Cb -0.03 0.15 -0.03 0.00 1.10 0.00 0.00 33.01 34.20 1f4h s GLN 757 CO 0.27 -0.05 -0.09 -0.06 -0.55 0.00 0.00 175.29 174.81 1f4h s PHE 758 N 1.77 2.89 -0.66 1.67 0.40 0.63 -1.29 117.98 123.39 1f4h s PHE 758 Ca -0.04 -0.17 -0.25 0.00 -0.60 0.00 0.00 56.93 55.87 1f4h s PHE 758 Cb -0.03 -1.75 0.05 0.00 0.51 0.00 0.00 43.02 41.79 1f4h s PHE 758 CO -0.15 0.16 1.08 1.21 0.70 0.00 0.00 175.22 178.23 1f4h s ASN 759 N -0.43 6.22 0.55 1.36 3.84 -0.93 -0.39 114.94 125.17 1f4h s ASN 759 Ca 0.06 -0.60 0.34 0.00 0.21 0.00 0.00 52.86 52.87 1f4h s ASN 759 Cb -0.12 -2.48 1.50 0.00 -0.55 0.00 0.00 41.25 39.60 1f4h s ASN 759 CO 0.02 -1.53 1.82 0.03 -2.79 0.00 0.00 177.10 174.65 1f4h h ARG 760 N 9.67 0.00 0.00 0.43 3.08 -1.48 0.70 114.38 126.78 1f4h h ARG 760 Ca -0.28 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.77 1f4h h ARG 760 Cb 1.06 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.11 1f4h h ARG 760 CO 1.20 0.00 0.00 1.04 -1.07 0.00 0.00 179.97 181.14 1f4h n GLN 761 N -4.09 0.00 -0.17 0.04 6.02 -1.25 -4.28 117.38 113.65 1f4h n GLN 761 Ca 0.21 0.30 -0.03 0.00 -0.01 0.00 0.00 57.00 57.47 1f4h n GLN 761 Cb 1.10 -0.99 0.07 0.00 1.02 0.00 0.00 30.24 31.44 1f4h n GLN 761 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 1f4h h SER 762 N 0.00 0.27 0.00 1.08 4.64 -1.90 -3.44 113.55 114.20 1f4h h SER 762 Ca 0.00 0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 1f4h h SER 762 Cb 0.00 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 1f4h h SER 762 CO 0.00 0.18 0.00 0.61 -0.87 0.00 0.00 176.83 176.75 1f4h n GLY 763 N -1.26 0.96 3.46 -0.77 0.00 0.24 -4.58 105.19 103.24 1f4h n GLY 763 Ca 0.06 -0.02 -0.26 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.00 2.37 -0.19 1.61 0.40 -1.25 -4.89 117.98 114.04 1f4h s PHE 764 Ca 0.00 -0.33 -0.29 0.00 -0.60 0.00 0.00 56.93 55.72 1f4h s PHE 764 Cb 0.00 -1.15 -0.04 0.00 0.51 0.00 0.00 43.02 42.34 1f4h s PHE 764 CO 0.00 0.53 1.86 -1.17 0.70 0.00 0.00 175.22 177.14 1f4h s LEU 765 N -2.82 3.83 0.09 -0.37 2.96 -1.26 -2.19 118.68 118.92 1f4h s LEU 765 Ca 0.23 1.85 0.18 0.00 -0.22 0.00 0.00 54.13 56.17 1f4h s LEU 765 Cb -0.08 -3.53 -0.11 0.00 0.50 0.00 0.00 46.19 42.98 1f4h s LEU 765 CO 0.12 -1.46 0.86 -1.20 -1.32 0.00 0.00 176.35 173.35 1f4h n SER 766 N 9.35 0.84 -3.57 3.68 7.64 -0.41 -1.65 113.62 129.51 1f4h n SER 766 Ca 0.22 0.36 -0.06 0.00 1.01 0.00 0.00 58.87 60.41 1f4h n SER 766 Cb 0.45 0.25 -0.02 0.00 -1.01 0.00 0.00 64.21 63.88 1f4h n SER 766 CO 0.00 0.00 0.00 -1.58 -3.01 0.00 0.00 175.04 170.45 1f4h s GLN 767 N -3.03 0.63 -0.25 1.43 2.00 -1.17 -4.42 119.66 114.85 1f4h s GLN 767 Ca -0.02 -0.25 -0.22 0.00 -2.00 0.00 0.00 55.36 52.86 1f4h s GLN 767 Cb 0.09 0.28 0.07 0.00 0.80 0.00 0.00 33.01 34.24 1f4h s GLN 767 CO 0.81 -0.28 0.67 1.41 -0.50 0.00 0.00 175.29 177.40 1f4h s MET 768 N -2.83 0.76 0.08 1.67 -2.45 -1.26 -1.39 119.30 113.88 1f4h s MET 768 Ca 0.08 0.98 0.07 0.00 -1.25 0.00 0.00 55.69 55.58 1f4h s MET 768 Cb -0.01 0.33 -0.03 0.00 1.25 0.00 0.00 34.83 36.37 1f4h s MET 768 CO -0.06 -0.11 -0.20 -1.58 1.05 0.00 0.00 175.02 174.13 1f4h s TRP 769 N 0.62 1.69 -0.48 4.11 0.51 0.34 -0.85 118.94 124.89 1f4h s TRP 769 Ca -0.02 -0.40 0.03 0.00 -2.12 0.00 0.00 56.10 53.59 1f4h s TRP 769 Cb -0.05 -0.96 0.13 0.00 -0.81 0.00 0.00 33.47 31.79 1f4h s TRP 769 CO -0.03 0.14 0.25 0.42 -0.51 0.00 0.00 176.95 177.23 1f4h s ILE 770 N -1.04 1.94 0.00 2.03 1.01 0.01 -0.66 121.20 124.48 1f4h s ILE 770 Ca 0.05 -2.93 0.00 0.00 0.00 0.00 0.00 60.65 57.78 1f4h s ILE 770 Cb -0.09 -2.35 0.00 0.00 0.01 0.00 0.00 42.46 40.03 1f4h s ILE 770 CO 0.03 -0.86 0.00 0.61 0.00 0.00 0.00 174.94 174.72 1f4h n GLY 771 N 3.31 -0.42 0.00 6.18 0.00 -0.76 -3.05 105.19 110.45 1f4h n GLY 771 Ca 0.08 -1.10 0.09 0.00 0.00 0.00 0.00 46.02 45.08 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 0.69 0.00 -4.88 1.61 5.68 -1.26 -4.74 116.55 113.64 1f4h n ASP 772 Ca 0.00 -0.44 -0.36 0.00 -0.50 0.00 0.00 54.79 53.50 1f4h n ASP 772 Cb 0.00 -0.07 -0.05 0.00 -1.14 0.00 0.00 41.12 39.86 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 -2.14 3.52 0.27 0.11 1.02 -1.17 -5.10 119.74 116.25 1f4h s LYS 773 Ca 0.25 -0.11 0.05 0.00 0.02 0.00 0.00 55.97 56.17 1f4h s LYS 773 Cb 0.13 -3.14 -0.03 0.00 -0.52 0.00 0.00 37.83 34.27 1f4h s LYS 773 CO 0.23 0.71 0.41 0.15 -0.92 0.00 0.00 175.35 175.93 1f4h s LYS 774 N -1.46 3.39 0.00 1.68 3.01 -1.26 -0.81 119.74 124.29 1f4h s LYS 774 Ca 0.22 -0.74 0.00 0.00 -1.01 0.00 0.00 55.97 54.44 1f4h s LYS 774 Cb -0.13 -2.84 0.00 0.00 -1.01 0.00 0.00 37.83 33.85 1f4h s LYS 774 CO 0.12 0.32 0.00 1.04 0.51 0.00 0.00 175.35 177.34 1f4h n GLN 775 N -1.51 0.00 -2.27 1.68 1.13 -0.03 -4.81 117.38 111.57 1f4h n GLN 775 Ca -0.07 0.00 -0.32 0.00 -1.94 0.00 0.00 57.00 54.67 1f4h n GLN 775 Cb 0.57 -0.57 -0.02 0.00 0.11 0.00 0.00 30.24 30.33 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 -5.64 3.59 0.00 1.08 1.43 -1.26 0.15 118.68 118.04 1f4h s LEU 776 Ca 0.00 1.70 0.00 0.00 -1.03 0.00 0.00 54.13 54.80 1f4h s LEU 776 Cb 0.00 -4.52 0.00 0.00 0.03 0.00 0.00 46.19 41.70 1f4h s LEU 776 CO 0.00 -0.83 0.00 0.18 0.23 0.00 0.00 176.35 175.93 1f4h n LEU 777 N -1.70 0.00 -3.84 1.79 4.77 0.25 -4.70 117.00 113.56 1f4h n LEU 777 Ca 0.08 -0.04 -0.14 0.00 -0.03 0.00 0.00 56.01 55.87 1f4h n LEU 777 Cb 0.53 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 41.47 1f4h n LEU 777 CO 0.46 0.00 -0.36 -0.89 -1.33 0.00 0.00 177.39 175.27 1f4h s THR 778 N -1.75 0.06 0.99 -5.08 2.01 -1.13 -4.93 115.64 105.80 1f4h s THR 778 Ca 0.00 0.06 -0.12 0.00 0.31 0.00 0.00 61.69 61.94 1f4h s THR 778 Cb 0.00 -0.11 0.15 0.00 0.01 0.00 0.00 72.50 72.55 1f4h s THR 778 CO 0.00 0.07 0.89 -0.81 -0.69 0.00 0.00 174.62 174.08 1f4h n PRO 779 N 3.61 -0.89 -3.44 4.92 -0.05 -1.26 -3.90 135.00 133.98 1f4h n PRO 779 Ca -0.20 -0.21 -0.41 0.00 -0.05 0.00 0.00 63.50 62.63 1f4h n PRO 779 Cb 0.55 -2.18 -0.10 0.00 -0.05 0.00 0.00 33.50 31.72 1f4h n PRO 779 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 175.50 174.28 1f4h s LEU 780 N -5.23 4.55 0.17 1.53 2.96 -0.66 -4.52 118.68 117.49 1f4h s LEU 780 Ca 0.64 -0.38 0.06 0.00 -0.22 0.00 0.00 54.13 54.23 1f4h s LEU 780 Cb -0.22 -2.26 -0.04 0.00 0.50 0.00 0.00 46.19 44.16 1f4h s LEU 780 CO 0.62 -0.33 -0.12 -0.13 -1.32 0.00 0.00 176.35 175.06 1f4h s ARG 781 N 1.90 1.17 0.54 1.98 0.52 -1.08 -4.01 118.95 119.97 1f4h s ARG 781 Ca 0.09 -1.48 -0.20 0.00 -0.52 0.00 0.00 55.73 53.62 1f4h s ARG 781 Cb -0.17 -0.86 -0.06 0.00 0.52 0.00 0.00 34.95 34.39 1f4h s ARG 781 CO 0.11 0.13 1.15 -0.51 0.02 0.00 0.00 175.30 176.20 1f4h s ASP 782 N -3.15 5.66 -0.02 0.23 1.11 -1.26 -1.85 116.67 117.39 1f4h s ASP 782 Ca 0.18 2.23 0.01 0.00 0.18 0.00 0.00 52.55 55.15 1f4h s ASP 782 Cb 0.00 -2.59 0.01 0.00 1.07 0.00 0.00 42.92 41.42 1f4h s ASP 782 CO 0.03 -1.26 -0.02 -1.58 1.18 0.00 0.00 175.17 173.52 1f4h s GLN 783 N -3.24 0.34 -0.01 8.23 0.74 0.30 -4.84 119.66 121.19 1f4h s GLN 783 Ca 0.73 -0.06 0.01 0.00 0.05 0.00 0.00 55.36 56.09 1f4h s GLN 783 Cb -0.26 -0.40 0.02 0.00 1.10 0.00 0.00 33.01 33.47 1f4h s GLN 783 CO 0.29 -0.01 0.78 1.19 -0.55 0.00 0.00 175.29 176.99 1f4h n PHE 784 N 3.47 0.00 -4.77 1.67 3.01 -1.26 -1.48 117.46 118.10 1f4h n PHE 784 Ca -0.19 -0.27 -0.33 0.00 1.01 0.00 0.00 57.45 57.67 1f4h n PHE 784 Cb 0.55 -0.03 -0.07 0.00 -0.01 0.00 0.00 39.48 39.92 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 -0.58 1.06 -0.25 4.37 -4.23 -1.26 -3.40 115.64 111.34 1f4h s THR 785 Ca 0.02 -2.00 -0.22 0.00 -1.18 0.00 0.00 61.69 58.31 1f4h s THR 785 Cb 0.02 -2.07 0.06 0.00 1.34 0.00 0.00 72.50 71.85 1f4h s THR 785 CO 0.00 0.00 0.65 0.00 -0.54 0.00 0.00 174.62 174.73 1f4h s ARG 786 N -3.89 0.75 -0.14 3.99 1.70 -1.26 -4.58 118.95 115.51 1f4h s ARG 786 Ca 0.03 0.93 -0.29 0.00 -0.47 0.00 0.00 55.73 55.93 1f4h s ARG 786 Cb 0.01 0.35 -0.07 0.00 -0.57 0.00 0.00 34.95 34.67 1f4h s ARG 786 CO 0.02 -0.10 2.15 0.00 -1.08 0.00 0.00 175.30 176.29 1f4h n ALA 787 N 2.88 1.70 -1.65 7.88 0.00 -1.26 -4.78 120.51 125.28 1f4h n ALA 787 Ca -0.15 -0.10 -0.44 0.00 0.00 0.00 0.00 53.44 52.75 1f4h n ALA 787 Cb 0.56 -2.84 -0.02 0.00 0.00 0.00 0.00 19.45 17.15 1f4h n ALA 787 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1f4h n PRO 788 N 8.35 1.81 -1.68 0.00 -0.02 -1.26 -0.85 135.00 141.34 1f4h n PRO 788 Ca 0.27 0.64 -0.29 0.00 -2.02 0.00 0.00 63.50 62.10 1f4h n PRO 788 Cb 0.43 -2.17 0.11 0.00 -0.02 0.00 0.00 33.50 31.85 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 -0.20 2.34 0.40 2.45 1.43 -1.26 -4.51 118.68 119.33 1f4h s LEU 789 Ca 0.61 0.98 0.12 0.00 -1.03 0.00 0.00 54.13 54.80 1f4h s LEU 789 Cb -0.65 -3.45 0.84 0.00 0.03 0.00 0.00 46.19 42.97 1f4h s LEU 789 CO 0.58 -2.15 1.92 0.44 0.23 0.00 0.00 176.35 177.37 1f4h h ASP 790 N -1.22 0.09 0.55 2.29 3.32 -1.85 -2.02 116.42 117.59 1f4h h ASP 790 Ca -0.48 -0.02 -0.11 0.00 0.02 0.00 0.00 57.03 56.44 1f4h h ASP 790 Cb 1.31 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 40.82 1f4h h ASP 790 CO 0.63 0.31 -0.54 0.78 -1.72 0.00 0.00 179.24 178.71 1f4h h ASN 791 N 0.09 0.00 -0.18 6.45 2.35 -1.84 0.11 115.58 122.56 1f4h h ASN 791 Ca 0.01 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 55.69 1f4h h ASN 791 Cb 0.44 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.80 1f4h h ASN 791 CO 0.03 0.54 -0.20 0.44 -1.65 0.00 0.00 177.43 176.59 1f4h h ASP 792 N 0.00 0.48 0.41 5.81 3.32 -1.69 -3.35 116.42 121.40 1f4h h ASP 792 Ca -0.01 -0.49 -0.02 0.00 0.02 0.00 0.00 57.03 56.53 1f4h h ASP 792 Cb 0.96 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 40.37 1f4h h ASP 792 CO 0.07 0.87 -0.20 0.40 -1.72 0.00 0.00 179.24 178.66 1f4h h ILE 793 N 0.09 0.04 0.00 0.35 2.04 -1.51 -1.85 117.51 116.67 1f4h h ILE 793 Ca 0.03 -0.60 0.00 0.00 1.00 0.00 0.00 64.86 65.28 1f4h h ILE 793 Cb 0.75 0.06 0.00 0.00 -0.74 0.00 0.00 36.82 36.89 1f4h h ILE 793 CO 0.05 0.01 0.00 0.61 0.00 0.00 0.00 178.15 178.82 1f4h n GLY 794 N 0.35 1.36 2.06 5.37 0.00 0.37 -3.30 105.19 111.40 1f4h n GLY 794 Ca -0.07 -0.52 -0.10 0.00 0.00 0.00 0.00 46.02 45.34 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 3.01 -2.99 1.61 0.24 -1.26 -4.94 118.33 114.00 1f4h n VAL 795 Ca 0.00 -1.70 -0.40 0.00 -2.04 0.00 0.00 64.34 60.20 1f4h n VAL 795 Cb 0.00 -0.38 -0.06 0.00 -1.47 0.00 0.00 33.84 31.93 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 -1.09 7.34 0.01 -1.34 0.15 -1.21 -4.72 113.70 112.85 1f4h s SER 796 Ca 0.56 1.59 -0.07 0.00 0.70 0.00 0.00 55.95 58.73 1f4h s SER 796 Cb 0.45 -2.49 -0.00 0.00 -1.71 0.00 0.00 66.02 62.27 1f4h s SER 796 CO 0.13 0.16 0.13 -0.70 1.20 0.00 0.00 173.24 174.16 1f4h s GLU 797 N -0.87 0.51 0.43 5.44 2.12 -0.25 -4.96 118.70 121.12 1f4h s GLU 797 Ca 0.36 -0.47 0.10 0.00 0.36 0.00 0.00 54.97 55.33 1f4h s GLU 797 Cb -0.22 0.21 0.95 0.00 0.26 0.00 0.00 34.13 35.32 1f4h s GLU 797 CO 0.25 -0.12 2.03 0.00 -0.54 0.00 0.00 175.26 176.88 1f4h h ALA 798 N 4.15 1.85 0.33 6.30 0.00 -2.02 -2.83 119.26 127.05 1f4h h ALA 798 Ca -0.31 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 1f4h h ALA 798 Cb 1.19 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 1f4h h ALA 798 CO 0.42 0.09 -0.27 1.15 0.00 0.00 0.00 179.25 180.64 1f4h h THR 799 N 0.47 0.00 -3.36 0.00 2.02 -2.01 -3.41 112.91 106.61 1f4h h THR 799 Ca 0.19 0.00 -0.66 0.00 0.77 0.00 0.00 66.41 66.72 1f4h h THR 799 Cb 0.18 0.00 -0.27 0.00 -1.74 0.00 0.00 68.15 66.32 1f4h h THR 799 CO -0.05 0.00 -0.73 -0.60 0.37 0.00 0.00 175.52 174.51 1f4h s ARG 800 N -4.56 3.39 -0.20 6.66 3.52 -1.07 -5.14 118.95 121.55 1f4h s ARG 800 Ca -0.10 -0.64 -0.09 0.00 -0.13 0.00 0.00 55.73 54.77 1f4h s ARG 800 Cb 0.02 -2.92 -0.05 0.00 -1.56 0.00 0.00 34.95 30.45 1f4h s ARG 800 CO 0.33 -0.09 0.11 -1.50 -0.81 0.00 0.00 175.30 173.33 1f4h s ILE 801 N 1.18 5.14 -1.03 4.11 2.07 -1.21 -1.08 121.20 130.38 1f4h s ILE 801 Ca 0.02 0.10 -0.13 0.00 -1.41 0.00 0.00 60.65 59.22 1f4h s ILE 801 Cb -0.14 -3.35 0.21 0.00 0.13 0.00 0.00 42.46 39.31 1f4h s ILE 801 CO -0.02 0.43 1.11 -0.62 -1.91 0.00 0.00 174.94 173.93 1f4h s ASP 802 N 0.53 7.00 0.58 4.50 2.15 -1.26 -4.90 116.67 125.27 1f4h s ASP 802 Ca 0.06 -2.94 0.28 0.00 0.43 0.00 0.00 52.55 50.38 1f4h s ASP 802 Cb -0.12 -2.29 1.53 0.00 -0.30 0.00 0.00 42.92 41.74 1f4h s ASP 802 CO 0.00 -0.61 1.98 1.55 -0.17 0.00 0.00 175.17 177.92 1f4h h PRO 803 N 7.46 0.00 0.00 4.34 0.13 -1.96 -0.59 132.00 141.38 1f4h h PRO 803 Ca 0.19 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.27 1f4h h PRO 803 Cb 0.94 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.06 1f4h h PRO 803 CO 1.02 0.00 -0.28 -0.97 -0.23 0.00 0.00 178.00 177.54 1f4h h ASN 804 N 0.00 0.00 -3.54 1.44 -0.00 -1.97 -3.35 115.58 108.16 1f4h h ASN 804 Ca 0.17 0.00 -0.53 0.00 -0.00 0.00 0.00 56.30 55.94 1f4h h ASN 804 Cb 0.90 0.00 0.09 0.00 -0.00 0.00 0.00 38.32 39.32 1f4h h ASN 804 CO -0.00 0.23 0.86 0.00 -0.00 0.00 0.00 177.43 178.51 1f4h n ALA 805 N -2.16 2.57 -0.26 1.57 0.00 -0.23 -4.82 120.51 117.17 1f4h n ALA 805 Ca 0.03 0.36 -0.05 0.00 0.00 0.00 0.00 53.44 53.77 1f4h n ALA 805 Cb 0.63 -2.46 -0.00 0.00 0.00 0.00 0.00 19.45 17.61 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 4.16 -1.14 -0.39 0.00 4.06 -1.73 -1.52 115.95 119.39 1f4h h TRP 806 Ca -0.48 0.09 0.07 0.00 2.06 0.00 0.00 58.89 60.63 1f4h h TRP 806 Cb 1.23 0.60 -0.07 0.00 -1.00 0.00 0.00 29.16 29.92 1f4h h TRP 806 CO 0.56 -0.40 -0.02 -0.24 -3.56 0.00 0.00 178.44 174.78 1f4h h VAL 807 N -0.13 0.68 -0.57 1.49 3.04 -1.68 0.16 116.25 119.24 1f4h h VAL 807 Ca 0.24 -0.03 0.11 0.00 -1.01 0.00 0.00 66.70 66.01 1f4h h VAL 807 Cb 0.56 0.60 -0.08 0.00 -2.01 0.00 0.00 31.29 30.36 1f4h h VAL 807 CO -0.78 0.01 0.10 -0.33 -1.01 0.00 0.00 177.57 175.56 1f4h h GLU 808 N 0.08 0.22 0.23 4.17 4.39 -1.54 0.98 114.58 123.12 1f4h h GLU 808 Ca 0.19 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.88 1f4h h GLU 808 Cb 0.28 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 28.86 1f4h h GLU 808 CO -0.34 0.15 -0.22 0.00 -1.16 0.00 0.00 179.01 177.44 1f4h h ARG 809 N 0.23 -0.46 -0.13 2.33 3.08 -0.55 0.13 114.38 119.01 1f4h h ARG 809 Ca 0.29 0.03 0.02 0.00 0.07 0.00 0.00 59.98 60.39 1f4h h ARG 809 Cb 0.43 0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.57 1f4h h ARG 809 CO -0.39 -0.30 0.02 -1.49 -1.07 0.00 0.00 179.97 176.73 1f4h h TRP 810 N -0.47 0.03 -0.05 3.04 6.55 -0.39 -0.11 115.95 124.55 1f4h h TRP 810 Ca -0.01 0.01 0.04 0.00 0.95 0.00 0.00 58.89 59.88 1f4h h TRP 810 Cb 0.44 0.00 -0.06 0.00 -0.86 0.00 0.00 29.16 28.68 1f4h h TRP 810 CO -0.15 0.01 -0.33 0.87 -1.05 0.00 0.00 178.44 177.79 1f4h h LYS 811 N 0.07 -0.44 -0.71 0.49 1.57 -0.70 -1.16 116.57 115.69 1f4h h LYS 811 Ca 0.06 0.03 0.13 0.00 -1.87 0.00 0.00 60.65 58.99 1f4h h LYS 811 Cb 0.05 0.10 -0.09 0.00 0.08 0.00 0.00 32.23 32.37 1f4h h LYS 811 CO -0.08 -0.29 0.27 0.00 -0.57 0.00 0.00 179.45 178.78 1f4h h ALA 812 N 0.29 0.96 0.00 3.86 0.00 -0.28 0.22 119.26 124.30 1f4h h ALA 812 Ca 0.07 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1f4h h ALA 812 Cb 0.56 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1f4h h ALA 812 CO -0.31 -0.20 0.00 0.00 0.00 0.00 0.00 179.25 178.74 1f4h n ALA 813 N -2.51 1.73 -0.74 0.00 0.00 -0.09 -4.90 120.51 114.00 1f4h n ALA 813 Ca 0.12 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.51 1f4h n ALA 813 Cb 0.37 -1.26 0.00 0.00 0.00 0.00 0.00 19.45 18.56 1f4h n ALA 813 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1f4h n GLY 814 N 0.15 0.56 0.36 0.00 0.00 0.06 -4.83 105.19 101.49 1f4h n GLY 814 Ca 0.04 -0.68 0.03 0.00 0.00 0.00 0.00 46.02 45.41 1f4h n GLY 814 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1f4h h HIS 815 N 0.00 0.96 0.00 1.61 3.86 -1.43 -2.08 115.15 118.07 1f4h h HIS 815 Ca 0.00 0.02 -0.07 0.00 -1.16 0.00 0.00 60.37 59.17 1f4h h HIS 815 Cb 0.00 -0.32 -0.01 0.00 1.06 0.00 0.00 27.41 28.14 1f4h h HIS 815 CO 0.00 0.54 -0.32 1.88 0.86 0.00 0.00 177.93 180.88 1f4h h TYR 816 N 0.97 0.00 0.00 2.45 -1.99 -1.86 -3.29 116.97 113.25 1f4h h TYR 816 Ca 0.34 0.00 -0.00 0.00 2.00 0.00 0.00 58.73 61.07 1f4h h TYR 816 Cb 0.12 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 38.84 1f4h h TYR 816 CO -0.00 0.32 -0.27 0.00 -0.00 0.00 0.00 178.16 178.21 1f4h n GLN 817 N -3.34 1.37 -0.67 4.88 10.64 -0.88 -5.06 117.38 124.32 1f4h n GLN 817 Ca 0.01 -2.89 -0.32 0.00 -1.83 0.00 0.00 57.00 51.98 1f4h n GLN 817 Cb 0.54 -1.50 0.18 0.00 -0.86 0.00 0.00 30.24 28.59 1f4h n GLN 817 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1f4h n ALA 818 N -1.21 -3.12 -3.70 2.61 0.00 -0.84 -4.95 120.51 109.30 1f4h n ALA 818 Ca 0.17 -1.00 -0.24 0.00 0.00 0.00 0.00 53.44 52.37 1f4h n ALA 818 Cb 0.68 -1.77 -0.17 0.00 0.00 0.00 0.00 19.45 18.19 1f4h n ALA 818 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1f4h s GLU 819 N -3.82 0.31 1.17 0.00 2.02 -1.06 -4.95 118.70 112.38 1f4h s GLU 819 Ca 0.60 0.05 -0.17 0.00 0.02 0.00 0.00 54.97 55.46 1f4h s GLU 819 Cb -0.18 -1.23 0.20 0.00 0.10 0.00 0.00 34.13 33.01 1f4h s GLU 819 CO 0.65 -0.45 0.41 0.00 0.02 0.00 0.00 175.26 175.89 1f4h n ALA 820 N 5.20 -3.60 -3.51 5.21 0.00 -1.26 -2.62 120.51 119.93 1f4h n ALA 820 Ca -0.06 -1.34 -0.00 0.00 0.00 0.00 0.00 53.44 52.04 1f4h n ALA 820 Cb 0.49 -1.57 -0.04 0.00 0.00 0.00 0.00 19.45 18.33 1f4h n ALA 820 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1f4h s ALA 821 N -2.24 -2.42 -0.34 0.00 0.00 -1.09 -4.88 121.76 110.79 1f4h s ALA 821 Ca 0.58 2.18 -0.29 0.00 0.00 0.00 0.00 51.96 54.43 1f4h s ALA 821 Cb -0.15 -1.91 0.01 0.00 0.00 0.00 0.00 23.12 21.07 1f4h s ALA 821 CO 0.61 -0.86 1.30 -1.17 0.00 0.00 0.00 175.76 175.64 1f4h s LEU 822 N 2.44 3.80 -0.13 0.00 1.98 -1.26 -0.95 118.68 124.56 1f4h s LEU 822 Ca -0.05 1.05 0.07 0.00 -2.89 0.00 0.00 54.13 52.32 1f4h s LEU 822 Cb -0.08 -3.54 -0.23 0.00 0.66 0.00 0.00 46.19 43.00 1f4h s LEU 822 CO -0.18 -1.16 0.31 0.18 -1.89 0.00 0.00 176.35 173.61 1f4h n LEU 823 N 7.86 1.44 -3.44 -0.68 4.77 0.77 -4.98 117.00 122.74 1f4h n LEU 823 Ca 0.15 0.18 -0.13 0.00 -0.03 0.00 0.00 56.01 56.17 1f4h n LEU 823 Cb 0.47 -0.24 -0.03 0.00 -2.33 0.00 0.00 43.42 41.29 1f4h n LEU 823 CO 0.65 0.62 0.41 -1.58 -1.33 0.00 0.00 177.39 176.16 1f4h s GLN 824 N -2.55 1.24 -0.30 3.23 0.74 -1.19 -4.97 119.66 115.86 1f4h s GLN 824 Ca -0.15 -0.34 -0.02 0.00 0.05 0.00 0.00 55.36 54.89 1f4h s GLN 824 Cb 0.07 0.57 0.19 0.00 1.10 0.00 0.00 33.01 34.95 1f4h s GLN 824 CO 0.78 -0.52 0.72 0.00 -0.55 0.00 0.00 175.29 175.71 1f4h s THR 826 N 2.88 0.72 -0.17 0.00 -4.23 0.72 -4.91 115.64 110.64 1f4h s THR 826 Ca 0.15 -0.16 -0.18 0.00 -1.18 0.00 0.00 61.69 60.31 1f4h s THR 826 Cb -0.12 -0.75 -0.04 0.00 1.34 0.00 0.00 72.50 72.93 1f4h s THR 826 CO -0.21 0.29 0.50 0.00 -0.54 0.00 0.00 174.62 174.67 1f4h s ALA 827 N 1.34 3.52 0.22 3.99 0.00 -1.25 -1.01 121.76 128.56 1f4h s ALA 827 Ca -0.04 -0.34 0.11 0.00 0.00 0.00 0.00 51.96 51.70 1f4h s ALA 827 Cb -0.14 -2.76 -0.05 0.00 0.00 0.00 0.00 23.12 20.18 1f4h s ALA 827 CO -0.03 -0.30 -0.22 -0.51 0.00 0.00 0.00 175.76 174.70 1f4h s ASP 828 N 0.99 3.52 -0.10 0.00 -0.00 0.12 -4.95 116.67 116.25 1f4h s ASP 828 Ca 0.24 -0.90 0.01 0.00 -0.00 0.00 0.00 52.55 51.91 1f4h s ASP 828 Cb -0.15 -0.29 -0.02 0.00 -0.00 0.00 0.00 42.92 42.46 1f4h s ASP 828 CO 0.10 0.10 -0.14 -0.89 -0.00 0.00 0.00 175.17 174.33 1f4h s THR 829 N -1.92 2.97 0.43 -1.27 2.01 -1.26 -0.64 115.64 115.96 1f4h s THR 829 Ca 0.24 -0.71 0.06 0.00 0.31 0.00 0.00 61.69 61.59 1f4h s THR 829 Cb -0.07 -2.21 -0.06 0.00 0.01 0.00 0.00 72.50 70.17 1f4h s THR 829 CO 0.12 0.55 0.09 -0.76 -0.69 0.00 0.00 174.62 173.92 1f4h s LEU 830 N 0.01 2.89 0.20 4.42 1.02 -0.82 -4.97 118.68 121.42 1f4h s LEU 830 Ca -0.04 -1.29 -0.19 0.00 0.02 0.00 0.00 54.13 52.62 1f4h s LEU 830 Cb -0.14 -1.10 0.15 0.00 0.02 0.00 0.00 46.19 45.12 1f4h s LEU 830 CO 0.04 -0.56 1.44 0.00 0.02 0.00 0.00 176.35 177.29 1f4h n ALA 831 N -1.14 -0.24 -0.54 4.21 0.00 -1.26 -3.48 120.51 118.06 1f4h n ALA 831 Ca -0.05 0.89 0.00 0.00 0.00 0.00 0.00 53.44 54.28 1f4h n ALA 831 Cb 0.66 -0.34 0.00 0.00 0.00 0.00 0.00 19.45 19.77 1f4h n ALA 831 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1f4h n ASP 832 N -5.32 0.68 -2.39 0.00 5.75 -1.26 -5.00 116.55 109.01 1f4h n ASP 832 Ca 0.08 -1.22 -0.10 0.00 -0.01 0.00 0.00 54.79 53.53 1f4h n ASP 832 Cb 0.34 0.00 -0.03 0.00 -1.03 0.00 0.00 41.12 40.40 1f4h n ASP 832 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1f4h n ALA 833 N -0.11 0.25 -3.08 2.12 0.00 -1.23 -3.13 120.51 115.33 1f4h n ALA 833 Ca 0.00 -0.86 -0.20 0.00 0.00 0.00 0.00 53.44 52.38 1f4h n ALA 833 Cb 0.26 0.60 -0.15 0.00 0.00 0.00 0.00 19.45 20.15 1f4h n ALA 833 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1f4h s VAL 834 N -2.25 0.73 -0.33 0.00 1.01 -0.03 -1.94 120.40 117.60 1f4h s VAL 834 Ca 0.10 -0.33 0.02 0.00 0.00 0.00 0.00 61.98 61.77 1f4h s VAL 834 Cb 0.00 -0.66 0.09 0.00 0.00 0.00 0.00 36.38 35.81 1f4h s VAL 834 CO 0.07 0.23 0.04 -0.22 0.00 0.00 0.00 175.10 175.23 1f4h s LEU 835 N 0.25 4.53 0.14 3.92 2.96 0.19 -2.34 118.68 128.34 1f4h s LEU 835 Ca -0.04 -1.92 -0.19 0.00 -0.22 0.00 0.00 54.13 51.77 1f4h s LEU 835 Cb -0.09 -1.66 -0.07 0.00 0.50 0.00 0.00 46.19 44.87 1f4h s LEU 835 CO 0.00 -0.36 0.63 -0.63 -1.32 0.00 0.00 176.35 174.67 1f4h s ILE 836 N 1.01 4.68 -0.07 6.68 -1.09 -0.28 0.15 121.20 132.27 1f4h s ILE 836 Ca 0.05 1.19 -0.03 0.00 -2.23 0.00 0.00 60.65 59.64 1f4h s ILE 836 Cb -0.20 -3.87 0.04 0.00 -1.58 0.00 0.00 42.46 36.85 1f4h s ILE 836 CO -0.06 0.37 0.13 -0.89 -1.23 0.00 0.00 174.94 173.26 1f4h s THR 837 N -1.32 -0.21 0.29 2.92 2.01 -0.18 -1.53 115.64 117.61 1f4h s THR 837 Ca 0.36 0.38 0.08 0.00 0.31 0.00 0.00 61.69 62.82 1f4h s THR 837 Cb -0.18 -0.25 -0.06 0.00 0.01 0.00 0.00 72.50 72.02 1f4h s THR 837 CO 0.20 0.16 -0.10 0.42 -0.69 0.00 0.00 174.62 174.61 1f4h s THR 838 N 2.26 1.93 -0.16 -0.82 -4.23 -0.07 -0.20 115.64 114.34 1f4h s THR 838 Ca 0.04 -2.19 -0.05 0.00 -1.18 0.00 0.00 61.69 58.30 1f4h s THR 838 Cb -0.12 -2.44 0.08 0.00 1.34 0.00 0.00 72.50 71.36 1f4h s THR 838 CO -0.05 -0.32 0.31 0.00 -0.54 0.00 0.00 174.62 174.02 1f4h s ALA 839 N -2.83 -0.72 0.16 3.99 0.00 -0.91 -1.26 121.76 120.19 1f4h s ALA 839 Ca 0.30 0.99 0.09 0.00 0.00 0.00 0.00 51.96 53.34 1f4h s ALA 839 Cb 0.02 -1.19 -0.04 0.00 0.00 0.00 0.00 23.12 21.91 1f4h s ALA 839 CO 0.13 -0.79 -0.21 -1.01 0.00 0.00 0.00 175.76 173.88 1f4h s HIS 840 N 2.47 1.98 -0.10 0.00 3.76 -0.74 -0.16 115.29 122.49 1f4h s HIS 840 Ca 0.02 -0.42 0.03 0.00 -0.15 0.00 0.00 55.06 54.55 1f4h s HIS 840 Cb -0.13 -1.01 0.00 0.00 1.11 0.00 0.00 32.58 32.55 1f4h s HIS 840 CO -0.11 0.35 -0.22 0.00 -0.85 0.00 0.00 174.74 173.92 1f4h s ALA 841 N -1.67 2.04 -0.23 -1.40 0.00 -0.12 -1.86 121.76 118.52 1f4h s ALA 841 Ca 0.15 -0.90 -0.14 0.00 0.00 0.00 0.00 51.96 51.07 1f4h s ALA 841 Cb -0.08 -0.80 -0.04 0.00 0.00 0.00 0.00 23.12 22.20 1f4h s ALA 841 CO 0.07 0.21 0.31 -1.58 0.00 0.00 0.00 175.76 174.77 1f4h s TRP 842 N 0.47 3.33 0.02 0.00 0.51 0.11 -2.68 118.94 120.70 1f4h s TRP 842 Ca -0.16 0.44 -0.01 0.00 -2.12 0.00 0.00 56.10 54.25 1f4h s TRP 842 Cb -0.17 -2.44 -0.02 0.00 -0.81 0.00 0.00 33.47 30.03 1f4h s TRP 842 CO 0.06 -0.02 -0.01 1.14 -0.51 0.00 0.00 176.95 177.61 1f4h s GLN 843 N 1.35 0.32 -0.22 4.98 -2.07 -1.08 0.29 119.66 123.25 1f4h s GLN 843 Ca 0.14 -0.59 -0.01 0.00 -1.82 0.00 0.00 55.36 53.08 1f4h s GLN 843 Cb -0.14 0.12 0.06 0.00 -1.09 0.00 0.00 33.01 31.96 1f4h s GLN 843 CO 0.07 -0.06 0.00 -1.58 -1.32 0.00 0.00 175.29 172.41 1f4h s HIS 844 N -1.45 1.63 -1.20 9.60 2.46 -1.07 -2.56 115.29 122.71 1f4h s HIS 844 Ca -0.16 -1.28 -0.05 0.00 0.47 0.00 0.00 55.06 54.04 1f4h s HIS 844 Cb -0.10 -1.30 0.01 0.00 -0.13 0.00 0.00 32.58 31.06 1f4h s HIS 844 CO -0.01 -0.69 0.65 1.04 -2.47 0.00 0.00 174.74 173.26 1f4h n GLN 845 N 4.88 -4.82 -2.94 2.88 1.13 -1.26 -3.39 117.38 113.86 1f4h n GLN 845 Ca -0.10 0.71 -0.11 0.00 -1.94 0.00 0.00 57.00 55.56 1f4h n GLN 845 Cb 0.46 -5.22 0.05 0.00 0.11 0.00 0.00 30.24 25.64 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 -1.50 -0.01 2.88 1.08 0.00 -1.26 -5.01 105.19 101.36 1f4h n GLY 846 Ca -0.06 -0.13 -0.14 0.00 0.00 0.00 0.00 46.02 45.69 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 -5.08 0.06 -0.27 1.61 2.36 -1.22 -5.10 119.74 112.09 1f4h s LYS 847 Ca 0.10 0.35 -0.19 0.00 -2.55 0.00 0.00 55.97 53.68 1f4h s LYS 847 Cb -0.04 -0.21 -0.02 0.00 -1.05 0.00 0.00 37.83 36.51 1f4h s LYS 847 CO 0.44 -0.18 0.55 0.99 1.55 0.00 0.00 175.35 178.70 1f4h s THR 848 N 1.25 5.03 -0.11 3.43 2.01 -1.26 -2.59 115.64 123.41 1f4h s THR 848 Ca -0.08 0.88 -0.16 0.00 0.31 0.00 0.00 61.69 62.64 1f4h s THR 848 Cb -0.12 -3.88 -0.13 0.00 0.01 0.00 0.00 72.50 68.38 1f4h s THR 848 CO -0.05 0.02 0.46 -0.07 -0.69 0.00 0.00 174.62 174.29 1f4h h LEU 849 N 8.88 -0.03 -8.67 4.42 3.38 0.41 -3.43 115.31 120.27 1f4h h LEU 849 Ca -0.28 -0.48 -0.28 0.00 0.09 0.00 0.00 57.88 56.93 1f4h h LEU 849 Cb 1.13 0.01 -0.15 0.00 0.09 0.00 0.00 40.66 41.74 1f4h h LEU 849 CO 0.74 0.69 -0.64 -0.36 0.09 0.00 0.00 178.44 178.97 1f4h s PHE 850 N -2.12 1.23 -0.04 1.13 0.40 -1.12 -1.95 117.98 115.52 1f4h s PHE 850 Ca -0.10 -1.19 -0.01 0.00 -0.60 0.00 0.00 56.93 55.03 1f4h s PHE 850 Cb -0.01 -0.69 0.03 0.00 0.51 0.00 0.00 43.02 42.86 1f4h s PHE 850 CO 0.37 -0.40 0.07 0.42 0.70 0.00 0.00 175.22 176.37 1f4h s ILE 851 N -3.87 -0.06 -0.23 0.64 1.01 -0.48 0.08 121.20 118.29 1f4h s ILE 851 Ca 0.32 0.21 0.01 0.00 0.00 0.00 0.00 60.65 61.19 1f4h s ILE 851 Cb 0.07 -0.14 0.04 0.00 0.01 0.00 0.00 42.46 42.44 1f4h s ILE 851 CO 0.08 0.09 -0.13 -0.55 0.00 0.00 0.00 174.94 174.43 1f4h s SER 852 N 1.14 3.93 -0.11 3.58 0.15 -0.78 -0.19 113.70 121.42 1f4h s SER 852 Ca -0.09 -1.01 -0.02 0.00 0.70 0.00 0.00 55.95 55.53 1f4h s SER 852 Cb -0.13 -1.55 -0.03 0.00 -1.71 0.00 0.00 66.02 62.60 1f4h s SER 852 CO -0.04 -0.11 -0.01 -0.13 1.20 0.00 0.00 173.24 174.15 1f4h s ARG 853 N 1.22 3.24 0.07 5.44 0.52 0.23 -1.80 118.95 127.86 1f4h s ARG 853 Ca -0.02 -0.45 -0.10 0.00 -0.52 0.00 0.00 55.73 54.64 1f4h s ARG 853 Cb -0.17 -2.84 0.00 0.00 0.52 0.00 0.00 34.95 32.47 1f4h s ARG 853 CO -0.08 0.53 0.22 0.15 0.02 0.00 0.00 175.30 176.14 1f4h s LYS 854 N -0.41 0.80 -0.10 3.54 1.02 -0.39 -0.67 119.74 123.54 1f4h s LYS 854 Ca 0.07 -0.78 -0.03 0.00 0.02 0.00 0.00 55.97 55.25 1f4h s LYS 854 Cb -0.12 0.33 0.05 0.00 -0.52 0.00 0.00 37.83 37.57 1f4h s LYS 854 CO 0.02 -0.25 0.10 0.95 -0.92 0.00 0.00 175.35 175.24 1f4h s THR 855 N -3.28 -0.14 -0.16 2.17 -4.23 -1.21 -0.90 115.64 107.90 1f4h s THR 855 Ca 0.00 0.18 -0.10 0.00 -1.18 0.00 0.00 61.69 60.58 1f4h s THR 855 Cb 0.02 -0.35 -0.05 0.00 1.34 0.00 0.00 72.50 73.46 1f4h s THR 855 CO -0.08 -0.01 0.19 -0.31 -0.54 0.00 0.00 174.62 173.87 1f4h s TYR 856 N 2.19 3.48 -0.40 3.99 1.51 -0.58 -2.97 117.35 124.58 1f4h s TYR 856 Ca 0.04 0.48 0.01 0.00 -1.01 0.00 0.00 57.07 56.59 1f4h s TYR 856 Cb -0.14 -2.16 0.13 0.00 -0.11 0.00 0.00 41.96 39.68 1f4h s TYR 856 CO -0.06 0.40 0.20 0.50 -1.11 0.00 0.00 175.55 175.48 1f4h s ARG 857 N -0.03 1.06 0.34 -0.62 3.52 -1.21 -1.13 118.95 120.88 1f4h s ARG 857 Ca 0.13 -1.70 -0.25 0.00 -0.13 0.00 0.00 55.73 53.78 1f4h s ARG 857 Cb -0.12 -2.13 -0.10 0.00 -1.56 0.00 0.00 34.95 31.04 1f4h s ARG 857 CO 0.02 -1.12 0.93 0.42 -0.81 0.00 0.00 175.30 174.73 1f4h s ILE 858 N 0.75 4.27 0.31 4.11 1.01 -0.99 -2.88 121.20 127.79 1f4h s ILE 858 Ca 0.16 1.72 0.03 0.00 0.00 0.00 0.00 60.65 62.56 1f4h s ILE 858 Cb -0.23 -3.92 -0.06 0.00 0.01 0.00 0.00 42.46 38.27 1f4h s ILE 858 CO -0.05 0.05 0.08 1.51 0.00 0.00 0.00 174.94 176.52 1f4h s ASP 859 N -1.74 2.05 0.00 3.58 -4.77 -1.21 -0.85 116.67 113.73 1f4h s ASP 859 Ca 0.52 -1.41 0.05 0.00 -3.30 0.00 0.00 52.55 48.42 1f4h s ASP 859 Cb -0.17 0.04 0.31 0.00 -1.09 0.00 0.00 42.92 42.02 1f4h s ASP 859 CO 0.21 -0.67 0.80 0.61 0.70 0.00 0.00 175.17 176.82 1f4h n GLY 860 N -0.64 -0.19 0.19 2.12 0.00 -1.18 -0.78 105.19 104.70 1f4h n GLY 860 Ca -0.02 -0.03 0.12 0.00 0.00 0.00 0.00 46.02 46.09 1f4h n GLY 860 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1f4h n SER 861 N -1.03 1.09 -1.09 1.61 7.64 -1.26 -4.54 113.62 116.04 1f4h n SER 861 Ca 0.04 -0.87 -0.03 0.00 1.01 0.00 0.00 58.87 59.02 1f4h n SER 861 Cb 0.02 0.39 0.01 0.00 -1.01 0.00 0.00 64.21 63.62 1f4h n SER 861 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1f4h n GLY 862 N 1.43 0.57 2.79 0.23 0.00 0.04 -5.03 105.19 105.21 1f4h n GLY 862 Ca 0.08 -0.49 -0.25 0.00 0.00 0.00 0.00 46.02 45.37 1f4h n GLY 862 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1f4h s GLN 863 N -4.69 0.80 -0.11 1.61 0.74 -1.24 -4.62 119.66 112.15 1f4h s GLN 863 Ca 0.04 -0.07 -0.10 0.00 0.05 0.00 0.00 55.36 55.27 1f4h s GLN 863 Cb -0.02 -1.32 -0.05 0.00 1.10 0.00 0.00 33.01 32.72 1f4h s GLN 863 CO 0.09 -0.36 0.22 0.00 -0.55 0.00 0.00 175.29 174.69 1f4h s MET 864 N 1.89 3.76 -0.44 1.67 0.23 -1.15 -3.36 119.30 121.90 1f4h s MET 864 Ca 0.04 0.02 -0.08 0.00 -1.03 0.00 0.00 55.69 54.64 1f4h s MET 864 Cb -0.13 -3.26 0.11 0.00 -1.53 0.00 0.00 34.83 30.02 1f4h s MET 864 CO -0.06 0.62 0.29 0.00 -2.03 0.00 0.00 175.02 173.84 1f4h s ALA 865 N -0.66 3.31 0.07 3.16 0.00 -1.14 -0.44 121.76 126.06 1f4h s ALA 865 Ca 0.16 -2.45 -0.24 0.00 0.00 0.00 0.00 51.96 49.44 1f4h s ALA 865 Cb -0.13 -2.68 -0.06 0.00 0.00 0.00 0.00 23.12 20.24 1f4h s ALA 865 CO 0.05 -1.82 0.74 0.42 0.00 0.00 0.00 175.76 175.16 1f4h s ILE 866 N 1.32 4.65 -0.07 0.00 1.01 -0.25 -3.33 121.20 124.54 1f4h s ILE 866 Ca 0.06 1.59 0.05 0.00 0.00 0.00 0.00 60.65 62.35 1f4h s ILE 866 Cb -0.25 -4.09 -0.01 0.00 0.01 0.00 0.00 42.46 38.13 1f4h s ILE 866 CO -0.01 0.42 -0.24 -0.89 0.00 0.00 0.00 174.94 174.22 1f4h s THR 867 N -0.43 2.00 0.03 2.92 2.01 -1.16 -0.66 115.64 120.36 1f4h s THR 867 Ca 0.36 -1.03 0.04 0.00 0.31 0.00 0.00 61.69 61.38 1f4h s THR 867 Cb -0.21 -1.71 -0.02 0.00 0.01 0.00 0.00 72.50 70.58 1f4h s THR 867 CO 0.23 0.56 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.91 1f4h s VAL 868 N -0.02 0.93 -0.26 3.82 1.01 0.10 -3.34 120.40 122.65 1f4h s VAL 868 Ca -0.08 -0.86 -0.03 0.00 0.00 0.00 0.00 61.98 61.02 1f4h s VAL 868 Cb -0.15 -0.85 0.11 0.00 0.00 0.00 0.00 36.38 35.50 1f4h s VAL 868 CO 0.05 -0.00 0.23 -1.81 0.00 0.00 0.00 175.10 173.57 1f4h s ASP 869 N -0.97 1.96 0.01 3.32 1.11 0.16 -1.13 116.67 121.12 1f4h s ASP 869 Ca 0.00 -0.67 -0.02 0.00 0.18 0.00 0.00 52.55 52.05 1f4h s ASP 869 Cb -0.07 0.27 -0.04 0.00 1.07 0.00 0.00 42.92 44.15 1f4h s ASP 869 CO 0.01 -0.38 0.19 -0.69 1.18 0.00 0.00 175.17 175.48 1f4h s VAL 870 N 2.29 5.39 -0.06 -1.27 1.01 -0.62 0.74 120.40 127.87 1f4h s VAL 870 Ca 0.08 -0.24 0.05 0.00 0.00 0.00 0.00 61.98 61.87 1f4h s VAL 870 Cb -0.15 -3.55 -0.01 0.00 0.00 0.00 0.00 36.38 32.67 1f4h s VAL 870 CO -0.26 0.27 -0.23 -0.70 0.00 0.00 0.00 175.10 174.18 1f4h s GLU 871 N -2.11 2.64 -0.07 2.72 2.12 0.73 -1.81 118.70 122.92 1f4h s GLU 871 Ca 0.29 -0.87 0.04 0.00 0.36 0.00 0.00 54.97 54.80 1f4h s GLU 871 Cb -0.13 -2.23 0.00 0.00 0.26 0.00 0.00 34.13 32.04 1f4h s GLU 871 CO 0.21 0.38 -0.18 0.08 -0.54 0.00 0.00 175.26 175.21 1f4h s VAL 872 N -0.16 1.59 0.02 3.70 1.01 -0.06 -1.38 120.40 125.12 1f4h s VAL 872 Ca -0.03 -0.76 -0.30 0.00 0.00 0.00 0.00 61.98 60.88 1f4h s VAL 872 Cb -0.14 -1.38 -0.05 0.00 0.00 0.00 0.00 36.38 34.81 1f4h s VAL 872 CO 0.04 0.45 1.29 0.00 0.00 0.00 0.00 175.10 176.88 1f4h s ALA 873 N 0.32 3.51 0.44 5.51 0.00 -0.82 -4.60 121.76 126.12 1f4h s ALA 873 Ca -0.12 0.84 0.29 0.00 0.00 0.00 0.00 51.96 52.97 1f4h s ALA 873 Cb -0.15 -3.53 1.37 0.00 0.00 0.00 0.00 23.12 20.82 1f4h s ALA 873 CO 0.05 -0.70 1.68 0.66 0.00 0.00 0.00 175.76 177.44 1f4h h SER 874 N 7.32 0.26 -0.95 0.00 4.64 -1.95 -2.01 113.55 120.85 1f4h h SER 874 Ca -0.39 0.10 -0.55 0.00 -0.47 0.00 0.00 61.79 60.49 1f4h h SER 874 Cb 1.19 0.08 -0.29 0.00 -0.31 0.00 0.00 62.40 63.06 1f4h h SER 874 CO 0.87 -0.08 0.64 -0.90 -0.87 0.00 0.00 176.83 176.48 1f4h n ASP 875 N -4.58 4.91 -4.27 4.97 3.85 -1.26 -4.93 116.55 115.24 1f4h n ASP 875 Ca 0.33 -3.68 -0.31 0.00 -0.71 0.00 0.00 54.79 50.42 1f4h n ASP 875 Cb 1.31 -0.86 -0.16 0.00 -1.35 0.00 0.00 41.12 40.06 1f4h n ASP 875 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.20 176.47 1f4h s THR 876 N -3.80 1.98 0.25 2.12 -1.32 -0.76 -5.09 115.64 109.02 1f4h s THR 876 Ca 0.58 -1.05 -0.30 0.00 -1.21 0.00 0.00 61.69 59.72 1f4h s THR 876 Cb 0.48 -1.67 -0.14 0.00 -1.51 0.00 0.00 72.50 69.66 1f4h s THR 876 CO 0.06 0.56 1.15 -2.65 -2.21 0.00 0.00 174.62 171.53 1f4h n PRO 877 N 2.78 1.48 -1.76 7.08 -0.02 -1.26 -4.79 135.00 138.51 1f4h n PRO 877 Ca -0.17 0.52 -0.42 0.00 -2.02 0.00 0.00 63.50 61.41 1f4h n PRO 877 Cb 0.52 -2.00 -0.03 0.00 -0.02 0.00 0.00 33.50 31.97 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 -0.60 2.80 0.32 6.00 3.76 -1.26 -4.92 115.29 121.39 1f4h s HIS 878 Ca 0.65 0.32 -0.27 0.00 -0.15 0.00 0.00 55.06 55.62 1f4h s HIS 878 Cb -0.73 -4.11 -0.14 0.00 1.11 0.00 0.00 32.58 28.71 1f4h s HIS 878 CO 0.56 -4.27 0.88 -2.30 -0.85 0.00 0.00 174.74 168.76 1f4h n PRO 879 N 4.28 1.08 -0.02 8.40 -0.02 -1.26 -4.81 135.00 142.66 1f4h n PRO 879 Ca 0.16 0.38 0.00 0.00 -2.02 0.00 0.00 63.50 62.02 1f4h n PRO 879 Cb 0.36 -1.73 0.30 0.00 -0.02 0.00 0.00 33.50 32.41 1f4h n PRO 879 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1f4h h ALA 880 N 1.63 1.39 -2.78 3.55 0.00 -1.90 -3.40 119.26 117.75 1f4h h ALA 880 Ca -0.39 -0.18 0.08 0.00 0.00 0.00 0.00 54.91 54.42 1f4h h ALA 880 Cb 1.36 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.96 1f4h h ALA 880 CO 0.58 0.43 0.37 -0.98 0.00 0.00 0.00 179.25 179.66 1f4h s ARG 881 N -5.07 1.75 -0.28 0.00 1.70 -1.23 0.12 118.95 115.94 1f4h s ARG 881 Ca -0.08 -1.08 0.01 0.00 -0.47 0.00 0.00 55.73 54.11 1f4h s ARG 881 Cb 0.16 0.53 0.15 0.00 -0.57 0.00 0.00 34.95 35.22 1f4h s ARG 881 CO 0.77 -0.82 0.39 0.42 -1.08 0.00 0.00 175.30 174.98 1f4h s ILE 882 N -2.77 -0.60 0.00 4.99 1.01 0.10 -4.14 121.20 119.80 1f4h s ILE 882 Ca 0.15 -0.28 0.00 0.00 0.00 0.00 0.00 60.65 60.53 1f4h s ILE 882 Cb -0.04 -0.96 0.00 0.00 0.01 0.00 0.00 42.46 41.47 1f4h s ILE 882 CO 0.08 -0.28 0.00 0.61 0.00 0.00 0.00 174.94 175.35 1f4h n GLY 883 N 5.35 2.00 3.64 6.18 0.00 -0.55 -1.59 105.19 120.22 1f4h n GLY 883 Ca -0.01 -0.73 -0.29 0.00 0.00 0.00 0.00 46.02 45.00 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 2.75 0.14 0.99 1.43 0.66 0.11 118.68 124.77 1f4h s LEU 884 Ca 0.00 -1.42 -0.25 0.00 -1.03 0.00 0.00 54.13 51.43 1f4h s LEU 884 Cb 0.00 -0.85 0.06 0.00 0.03 0.00 0.00 46.19 45.44 1f4h s LEU 884 CO 0.00 -0.53 0.87 0.54 0.23 0.00 0.00 176.35 177.47 1f4h s ASN 885 N -3.73 -0.26 0.00 2.29 4.22 -0.77 -0.50 114.94 116.18 1f4h s ASN 885 Ca 0.30 -0.32 0.00 0.00 -2.14 0.00 0.00 52.86 50.70 1f4h s ASN 885 Cb 0.08 0.52 0.00 0.00 1.28 0.00 0.00 41.25 43.13 1f4h s ASN 885 CO 0.15 -0.93 0.00 0.00 -2.04 0.00 0.00 177.10 174.29 1f4h s GLN 887 N -2.00 2.97 0.94 0.00 0.74 -1.25 -0.92 119.66 120.13 1f4h s GLN 887 Ca 0.00 -0.89 -0.13 0.00 0.05 0.00 0.00 55.36 54.39 1f4h s GLN 887 Cb 0.00 -2.96 0.21 0.00 1.10 0.00 0.00 33.01 31.36 1f4h s GLN 887 CO 0.00 -0.34 1.28 -0.51 -0.55 0.00 0.00 175.29 175.17 1f4h s LEU 888 N 1.36 2.79 -0.27 3.68 1.43 0.29 -0.59 118.68 127.37 1f4h s LEU 888 Ca 0.02 0.03 -0.13 0.00 -1.03 0.00 0.00 54.13 53.01 1f4h s LEU 888 Cb -0.16 -2.04 -0.13 0.00 0.03 0.00 0.00 46.19 43.90 1f4h s LEU 888 CO -0.05 -2.71 -0.32 0.00 0.23 0.00 0.00 176.35 173.51 1f4h n ALA 889 N -3.65 1.19 -1.11 4.21 0.00 0.40 -2.98 120.51 118.56 1f4h n ALA 889 Ca 0.17 -1.07 -0.35 0.00 0.00 0.00 0.00 53.44 52.18 1f4h n ALA 889 Cb 0.59 0.09 0.01 0.00 0.00 0.00 0.00 19.45 20.14 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 -4.20 0.00 -3.29 0.00 3.00 -1.26 -4.30 117.38 107.33 1f4h n GLN 890 Ca -0.53 0.00 -0.19 0.00 -0.01 0.00 0.00 57.00 56.27 1f4h n GLN 890 Cb 0.88 -0.90 -0.07 0.00 0.00 0.00 0.00 30.24 30.15 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 -1.81 -0.21 0.45 5.09 1.01 -1.26 -2.97 120.40 120.71 1f4h s VAL 891 Ca 0.50 -1.50 -0.13 0.00 0.00 0.00 0.00 61.98 60.85 1f4h s VAL 891 Cb -0.43 -0.76 -0.07 0.00 0.00 0.00 0.00 36.38 35.12 1f4h s VAL 891 CO 0.61 -0.71 0.86 0.00 0.00 0.00 0.00 175.10 175.85 1f4h s ALA 892 N 0.94 3.24 0.01 5.51 0.00 -1.26 -5.05 121.76 125.15 1f4h s ALA 892 Ca 0.23 -0.06 -0.22 0.00 0.00 0.00 0.00 51.96 51.91 1f4h s ALA 892 Cb -0.09 -2.87 -0.17 0.00 0.00 0.00 0.00 23.12 20.00 1f4h s ALA 892 CO -0.07 -0.12 1.28 1.49 0.00 0.00 0.00 175.76 178.34 1f4h h GLU 893 N 1.06 0.24 0.00 0.00 4.81 -2.01 -3.43 114.58 115.25 1f4h h GLU 893 Ca -0.47 -0.14 0.00 0.00 -0.13 0.00 0.00 59.36 58.62 1f4h h GLU 893 Cb 1.19 0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.58 1f4h h GLU 893 CO 0.63 0.70 0.00 0.54 -0.73 0.00 0.00 179.01 180.15 1f4h n ARG 894 N -4.63 1.83 -3.64 1.92 1.74 -1.26 -0.02 116.66 112.61 1f4h n ARG 894 Ca -0.07 0.00 -0.10 0.00 -0.77 0.00 0.00 57.85 56.90 1f4h n ARG 894 Cb 0.35 0.00 -0.07 0.00 -1.02 0.00 0.00 32.46 31.72 1f4h n ARG 894 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1f4h s VAL 895 N 1.11 0.00 -0.15 1.55 1.01 0.51 -4.54 120.40 119.89 1f4h s VAL 895 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 61.98 61.91 1f4h s VAL 895 Cb 0.00 -1.00 0.06 0.00 0.00 0.00 0.00 36.38 35.44 1f4h s VAL 895 CO 0.00 0.00 0.33 0.21 0.00 0.00 0.00 175.10 175.64 1f4h s ASN 896 N 0.41 -0.20 0.04 3.32 3.84 -0.85 -0.63 114.94 120.88 1f4h s ASN 896 Ca 0.01 0.73 -0.07 0.00 0.21 0.00 0.00 52.86 53.74 1f4h s ASN 896 Cb -0.05 0.75 -0.01 0.00 -0.55 0.00 0.00 41.25 41.39 1f4h s ASN 896 CO -0.05 -0.20 0.12 -1.66 -2.79 0.00 0.00 177.10 172.52 1f4h s TRP 897 N 1.80 0.16 -0.47 0.43 -2.14 -0.79 -1.16 118.94 116.77 1f4h s TRP 897 Ca -0.06 -0.45 -0.12 0.00 2.66 0.00 0.00 56.10 58.13 1f4h s TRP 897 Cb -0.10 -0.11 0.10 0.00 -3.10 0.00 0.00 33.47 30.25 1f4h s TRP 897 CO -0.11 -0.39 0.37 -1.17 -2.66 0.00 0.00 176.95 172.99 1f4h s LEU 898 N -2.15 5.64 0.00 -4.66 2.96 -0.30 -1.31 118.68 118.86 1f4h s LEU 898 Ca -0.05 -1.64 0.00 0.00 -0.22 0.00 0.00 54.13 52.22 1f4h s LEU 898 Cb -0.01 -2.09 0.00 0.00 0.50 0.00 0.00 46.19 44.60 1f4h s LEU 898 CO -0.05 -0.68 0.00 0.61 -1.32 0.00 0.00 176.35 174.92 1f4h n GLY 899 N 5.05 -0.62 3.78 7.98 0.00 0.11 0.19 105.19 121.68 1f4h n GLY 899 Ca -0.11 -0.53 -0.37 0.00 0.00 0.00 0.00 46.02 45.01 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 4.29 0.00 0.99 1.43 -1.00 -0.73 118.68 123.66 1f4h s LEU 900 Ca 0.00 2.02 0.00 0.00 -1.03 0.00 0.00 54.13 55.12 1f4h s LEU 900 Cb 0.00 -4.02 0.00 0.00 0.03 0.00 0.00 46.19 42.20 1f4h s LEU 900 CO 0.00 -0.29 0.00 0.61 0.23 0.00 0.00 176.35 176.90 1f4h n GLY 901 N 0.59 -0.50 0.29 -3.19 0.00 -0.67 -4.60 105.19 97.10 1f4h n GLY 901 Ca 0.03 -1.02 0.18 0.00 0.00 0.00 0.00 46.02 45.21 1f4h n GLY 901 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1f4h h PRO 902 N 0.00 0.00 -7.05 1.61 0.13 -1.91 -0.48 132.00 124.30 1f4h h PRO 902 Ca 0.00 0.00 -0.48 0.00 -0.87 0.00 0.00 66.00 64.65 1f4h h PRO 902 Cb 0.00 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.14 1f4h h PRO 902 CO 0.00 0.00 0.27 1.14 -0.23 0.00 0.00 178.00 179.18 1f4h s GLN 903 N -3.76 3.89 -0.31 0.86 1.03 -1.26 -4.99 119.66 115.12 1f4h s GLN 903 Ca -0.00 0.77 -0.40 0.00 0.04 0.00 0.00 55.36 55.76 1f4h s GLN 903 Cb 0.10 -2.24 -0.16 0.00 0.03 0.00 0.00 33.01 30.74 1f4h s GLN 903 CO 0.50 -0.17 1.79 -1.91 -2.54 0.00 0.00 175.29 172.97 1f4h n GLU 904 N -1.42 1.03 -4.50 9.60 2.13 -1.26 -4.92 120.64 121.29 1f4h n GLU 904 Ca 0.05 0.37 -0.22 0.00 0.66 0.00 0.00 57.16 58.02 1f4h n GLU 904 Cb 0.54 -2.07 -0.15 0.00 0.27 0.00 0.00 31.44 30.02 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 3.93 1.43 0.38 4.31 2.20 -0.67 -4.91 114.94 121.62 1f4h s ASN 905 Ca 1.01 -0.22 0.08 0.00 -0.94 0.00 0.00 52.86 52.78 1f4h s ASN 905 Cb -1.10 -0.34 -0.05 0.00 -2.00 0.00 0.00 41.25 37.76 1f4h s ASN 905 CO 0.66 0.10 0.16 -0.31 -2.94 0.00 0.00 177.10 174.76 1f4h s TYR 906 N 0.08 2.63 0.11 1.54 1.51 -1.18 -3.40 117.35 118.64 1f4h s TYR 906 Ca -0.02 -0.50 -0.28 0.00 -1.01 0.00 0.00 57.07 55.26 1f4h s TYR 906 Cb -0.08 -1.82 -0.09 0.00 -0.11 0.00 0.00 41.96 39.85 1f4h s TYR 906 CO 0.01 0.25 1.63 -1.35 -1.11 0.00 0.00 175.55 174.98 1f4h h PRO 907 N 1.49 -0.51 -0.02 -1.71 0.11 -1.88 -2.26 132.00 127.22 1f4h h PRO 907 Ca -0.43 0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.72 1f4h h PRO 907 Cb 1.25 0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.48 1f4h h PRO 907 CO 0.67 -0.34 0.00 -0.40 -0.21 0.00 0.00 178.00 177.72 1f4h n ASP 908 N -5.40 0.02 -3.11 -2.05 5.75 -1.26 -3.65 116.55 106.86 1f4h n ASP 908 Ca -0.07 -1.62 -0.20 0.00 -0.01 0.00 0.00 54.79 52.89 1f4h n ASP 908 Cb 0.31 -0.01 -0.04 0.00 -1.03 0.00 0.00 41.12 40.35 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 -0.49 0.78 -0.04 0.11 0.63 -0.86 -0.31 116.66 116.49 1f4h n ARG 909 Ca 0.00 -2.98 0.00 0.00 -0.92 0.00 0.00 57.85 53.95 1f4h n ARG 909 Cb 0.00 -1.33 0.00 0.00 0.45 0.00 0.00 32.46 31.59 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 1.20 0.60 -0.12 6.15 -0.00 -1.19 -3.08 117.00 120.56 1f4h n LEU 910 Ca 0.19 -0.68 -0.02 0.00 -0.00 0.00 0.00 56.01 55.50 1f4h n LEU 910 Cb 0.57 -0.01 0.22 0.00 -0.00 0.00 0.00 43.42 44.20 1f4h n LEU 910 CO 0.16 0.17 1.01 0.71 -0.00 0.00 0.00 177.39 179.44 1f4h h THR 911 N 2.39 1.21 0.00 1.47 1.35 -1.90 -1.78 112.91 115.66 1f4h h THR 911 Ca 0.00 -0.73 0.00 0.00 -0.55 0.00 0.00 66.41 65.13 1f4h h THR 911 Cb 0.89 0.63 0.00 0.00 -1.73 0.00 0.00 68.15 67.95 1f4h h THR 911 CO 0.00 0.28 0.00 0.00 -0.25 0.00 0.00 175.52 175.55 1f4h n ALA 912 N -2.46 2.10 -2.78 6.62 0.00 -1.26 -4.82 120.51 117.91 1f4h n ALA 912 Ca 0.04 -0.10 -0.25 0.00 0.00 0.00 0.00 53.44 53.13 1f4h n ALA 912 Cb 0.20 -1.29 -0.02 0.00 0.00 0.00 0.00 19.45 18.34 1f4h n ALA 912 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1f4h s ALA 913 N -2.15 3.82 0.03 0.00 0.00 -0.67 -4.97 121.76 117.82 1f4h s ALA 913 Ca 0.24 -0.93 0.07 0.00 0.00 0.00 0.00 51.96 51.34 1f4h s ALA 913 Cb 0.12 -1.97 -0.02 0.00 0.00 0.00 0.00 23.12 21.25 1f4h s ALA 913 CO 0.22 0.27 -0.21 0.00 0.00 0.00 0.00 175.76 176.05 1f4h s PHE 915 N -0.73 1.99 0.00 0.00 5.36 -1.25 -1.67 117.98 121.67 1f4h s PHE 915 Ca 0.08 0.34 0.00 0.00 -0.96 0.00 0.00 56.93 56.39 1f4h s PHE 915 Cb -0.09 -4.37 0.00 0.00 -0.34 0.00 0.00 43.02 38.22 1f4h s PHE 915 CO 0.01 -2.18 0.00 -3.47 -1.46 0.00 0.00 175.22 168.12 1f4h n ASP 916 N 11.00 0.00 -4.26 6.13 -0.08 0.09 -4.87 116.55 124.56 1f4h n ASP 916 Ca 0.12 -0.86 -0.42 0.00 -1.51 0.00 0.00 54.79 52.12 1f4h n ASP 916 Cb 0.50 0.00 -0.09 0.00 2.34 0.00 0.00 41.12 43.88 1f4h n ASP 916 CO 0.00 0.00 0.00 -0.60 0.12 0.00 0.00 177.20 176.72 1f4h s ARG 917 N -1.57 2.63 -0.04 -0.67 3.52 -1.26 -0.71 118.95 120.85 1f4h s ARG 917 Ca 0.00 -1.60 -0.05 0.00 -0.13 0.00 0.00 55.73 53.94 1f4h s ARG 917 Cb 0.00 -3.94 -0.04 0.00 -1.56 0.00 0.00 34.95 29.41 1f4h s ARG 917 CO 0.00 -1.10 0.20 -1.58 -0.81 0.00 0.00 175.30 172.00 1f4h s TRP 918 N 1.44 3.58 -0.23 5.12 0.23 -0.42 -4.96 118.94 123.69 1f4h s TRP 918 Ca 0.04 0.49 -0.03 0.00 -2.03 0.00 0.00 56.10 54.56 1f4h s TRP 918 Cb -0.25 -1.92 0.08 0.00 0.03 0.00 0.00 33.47 31.40 1f4h s TRP 918 CO 0.01 0.67 0.08 0.34 0.96 0.00 0.00 176.95 179.02 1f4h s ASP 919 N -1.55 3.07 0.27 2.95 -1.08 -1.26 -1.89 116.67 117.18 1f4h s ASP 919 Ca 0.23 -1.00 0.06 0.00 -0.52 0.00 0.00 52.55 51.32 1f4h s ASP 919 Cb -0.13 -0.47 -0.06 0.00 -1.46 0.00 0.00 42.92 40.80 1f4h s ASP 919 CO 0.13 -0.37 -0.04 -0.76 0.52 0.00 0.00 175.17 174.65 1f4h s LEU 920 N 1.96 2.41 0.50 -1.34 1.43 0.20 -4.92 118.68 118.92 1f4h s LEU 920 Ca 0.04 -1.21 -0.20 0.00 -1.03 0.00 0.00 54.13 51.73 1f4h s LEU 920 Cb -0.17 -0.55 -0.07 0.00 0.03 0.00 0.00 46.19 45.43 1f4h s LEU 920 CO -0.18 -0.39 1.08 -2.84 0.23 0.00 0.00 176.35 174.25 1f4h s PRO 921 N -3.76 3.67 0.28 1.29 0.02 -1.26 -0.37 135.00 134.86 1f4h s PRO 921 Ca 0.30 1.49 0.01 0.00 0.02 0.00 0.00 61.00 62.82 1f4h s PRO 921 Cb 0.04 -2.12 0.54 0.00 0.02 0.00 0.00 34.50 32.98 1f4h s PRO 921 CO 0.11 -0.57 1.83 1.25 -0.33 0.00 0.00 177.00 179.30 1f4h h LEU 922 N 1.54 0.91 -0.88 -5.54 5.85 -0.68 -1.27 115.31 115.25 1f4h h LEU 922 Ca -0.50 0.05 0.15 0.00 0.84 0.00 0.00 57.88 58.42 1f4h h LEU 922 Cb 1.24 -0.13 -0.09 0.00 0.37 0.00 0.00 40.66 42.04 1f4h h LEU 922 CO 0.59 0.49 0.48 0.77 -0.34 0.00 0.00 178.44 180.42 1f4h h SER 923 N 0.98 0.60 0.20 1.25 4.64 -1.90 0.78 113.55 120.09 1f4h h SER 923 Ca 0.49 0.09 0.00 0.00 -0.47 0.00 0.00 61.79 61.90 1f4h h SER 923 Cb 0.47 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.55 1f4h h SER 923 CO -0.26 0.25 0.00 0.47 -0.87 0.00 0.00 176.83 176.42 1f4h n ASP 924 N -4.84 0.00 0.09 4.97 9.92 -0.48 -2.49 116.55 123.72 1f4h n ASP 924 Ca 0.18 -0.10 0.13 0.00 -0.53 0.00 0.00 54.79 54.47 1f4h n ASP 924 Cb 0.45 -0.20 0.31 0.00 -0.64 0.00 0.00 41.12 41.04 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 -1.20 0.27 -4.42 -1.24 2.81 0.27 -4.78 117.12 108.84 1f4h n MET 925 Ca 0.09 0.17 -0.35 0.00 -1.81 0.00 0.00 57.70 55.80 1f4h n MET 925 Cb 0.10 -1.76 -0.10 0.00 -0.71 0.00 0.00 33.22 30.75 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 -3.13 3.10 -0.23 2.03 5.04 -1.04 -4.37 117.35 118.76 1f4h s TYR 926 Ca 0.09 0.11 -0.03 0.00 -2.44 0.00 0.00 57.07 54.79 1f4h s TYR 926 Cb 0.13 -1.80 0.00 0.00 0.35 0.00 0.00 41.96 40.64 1f4h s TYR 926 CO 0.65 0.38 -0.05 0.99 -1.34 0.00 0.00 175.55 176.18 1f4h s THR 927 N -0.71 3.23 0.00 4.34 2.01 -1.26 -4.97 115.64 118.28 1f4h s THR 927 Ca 0.11 -0.66 -0.03 0.00 0.31 0.00 0.00 61.69 61.42 1f4h s THR 927 Cb -0.12 -2.52 -0.13 0.00 0.01 0.00 0.00 72.50 69.75 1f4h s THR 927 CO 0.02 0.35 2.24 -0.81 -0.69 0.00 0.00 174.62 175.73 1f4h n PRO 928 N 4.76 1.15 -1.74 4.92 -0.04 -1.26 -4.89 135.00 137.91 1f4h n PRO 928 Ca -0.18 -0.47 -0.41 0.00 -0.04 0.00 0.00 63.50 62.41 1f4h n PRO 928 Cb 0.50 -1.62 0.01 0.00 -0.04 0.00 0.00 33.50 32.35 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 2.34 2.49 0.13 0.54 4.02 -1.26 -4.87 117.16 120.54 1f4h n TYR 929 Ca 0.20 0.47 -0.01 0.00 -0.01 0.00 0.00 57.90 58.55 1f4h n TYR 929 Cb 0.54 -2.43 0.22 0.00 -0.02 0.00 0.00 39.34 37.65 1f4h n TYR 929 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 176.86 176.13 1f4h h VAL 930 N 2.28 1.35 -3.35 -0.72 2.07 -1.96 -3.36 116.25 112.56 1f4h h VAL 930 Ca -0.49 -1.71 -0.72 0.00 0.82 0.00 0.00 66.70 64.59 1f4h h VAL 930 Cb 1.28 1.87 -0.31 0.00 -1.52 0.00 0.00 31.29 32.61 1f4h h VAL 930 CO 0.61 0.50 -0.43 0.12 0.02 0.00 0.00 177.57 178.39 1f4h s PHE 931 N -3.93 3.47 0.31 1.57 5.36 -1.26 -1.57 117.98 121.93 1f4h s PHE 931 Ca -0.03 -2.03 -0.26 0.00 -0.96 0.00 0.00 56.93 53.65 1f4h s PHE 931 Cb 0.13 -3.43 -0.14 0.00 -0.34 0.00 0.00 43.02 39.24 1f4h s PHE 931 CO 0.76 -0.99 0.74 -2.30 -1.46 0.00 0.00 175.22 171.97 1f4h n PRO 932 N 4.79 0.76 -3.65 10.12 -0.02 -1.26 -4.96 135.00 140.79 1f4h n PRO 932 Ca -0.06 0.27 -0.04 0.00 -2.02 0.00 0.00 63.50 61.65 1f4h n PRO 932 Cb 0.41 -1.52 -0.01 0.00 -0.02 0.00 0.00 33.50 32.36 1f4h n PRO 932 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1f4h s SER 933 N -0.79 -0.19 0.27 2.55 1.04 -1.26 -4.72 113.70 110.59 1f4h s SER 933 Ca 0.61 -0.21 -0.28 0.00 0.48 0.00 0.00 55.95 56.56 1f4h s SER 933 Cb -0.73 0.35 -0.15 0.00 0.10 0.00 0.00 66.02 65.59 1f4h s SER 933 CO 0.58 -0.63 0.81 1.21 0.98 0.00 0.00 173.24 176.19 1f4h n GLU 934 N -0.38 0.82 -3.86 4.02 4.07 -0.03 -4.93 120.64 120.35 1f4h n GLU 934 Ca -0.07 0.29 -0.03 0.00 -0.06 0.00 0.00 57.16 57.30 1f4h n GLU 934 Cb 0.61 -1.52 0.01 0.00 -0.06 0.00 0.00 31.44 30.48 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 -0.74 -0.02 -0.52 4.31 2.20 -1.26 -4.89 114.94 114.02 1f4h s ASN 935 Ca 0.61 -0.60 0.00 0.00 -0.94 0.00 0.00 52.86 51.93 1f4h s ASN 935 Cb -0.78 0.47 0.00 0.00 -2.00 0.00 0.00 41.25 38.95 1f4h s ASN 935 CO 0.58 -0.93 0.00 0.61 -2.94 0.00 0.00 177.10 174.42 1f4h n GLY 936 N -0.66 0.59 3.74 0.45 0.00 -1.26 -4.80 105.19 103.24 1f4h n GLY 936 Ca -0.03 -0.09 -0.37 0.00 0.00 0.00 0.00 46.02 45.52 1f4h n GLY 936 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1f4h s LEU 937 N -1.11 3.71 -0.15 0.99 2.96 -1.26 -4.63 118.68 119.20 1f4h s LEU 937 Ca 0.00 2.64 -0.00 0.00 -0.22 0.00 0.00 54.13 56.55 1f4h s LEU 937 Cb 0.00 -4.46 0.03 0.00 0.50 0.00 0.00 46.19 42.26 1f4h s LEU 937 CO 0.00 -1.74 -0.10 -0.13 -1.32 0.00 0.00 176.35 173.06 1f4h s ARG 938 N -3.16 1.86 0.68 1.98 1.81 0.14 -1.66 118.95 120.60 1f4h s ARG 938 Ca 0.77 -0.48 -0.01 0.00 -1.72 0.00 0.00 55.73 54.28 1f4h s ARG 938 Cb -0.38 -1.95 0.10 0.00 -0.45 0.00 0.00 34.95 32.27 1f4h s ARG 938 CO 0.42 -0.30 0.95 0.00 -0.68 0.00 0.00 175.30 175.68 1f4h n GLY 940 N -2.74 -0.50 3.70 0.00 0.00 -1.20 -2.37 105.19 102.08 1f4h n GLY 940 Ca 0.12 0.08 -0.42 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.96 4.87 -0.31 2.61 2.01 0.56 -3.94 115.64 118.49 1f4h s THR 941 Ca 0.29 1.95 0.22 0.00 0.31 0.00 0.00 61.69 64.46 1f4h s THR 941 Cb -0.15 -4.27 -0.23 0.00 0.01 0.00 0.00 72.50 67.86 1f4h s THR 941 CO 0.36 0.13 0.72 0.54 -0.69 0.00 0.00 174.62 175.68 1f4h n ARG 942 N 4.24 0.48 -3.62 4.92 1.74 0.51 -2.74 116.66 122.19 1f4h n ARG 942 Ca 0.06 -0.09 -0.03 0.00 -0.77 0.00 0.00 57.85 57.01 1f4h n ARG 942 Cb 0.50 -1.57 -0.05 0.00 -1.02 0.00 0.00 32.46 30.32 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 -3.36 0.59 0.26 5.56 2.12 -1.12 -2.15 118.70 120.60 1f4h s GLU 943 Ca -0.02 1.25 0.10 0.00 0.36 0.00 0.00 54.97 56.65 1f4h s GLU 943 Cb 0.14 0.49 -0.04 0.00 0.26 0.00 0.00 34.13 34.97 1f4h s GLU 943 CO 0.87 -0.16 -0.06 -1.17 -0.54 0.00 0.00 175.26 174.20 1f4h s LEU 944 N 2.25 3.03 -0.22 2.70 2.96 0.23 -1.15 118.68 128.48 1f4h s LEU 944 Ca -0.08 -0.73 -0.10 0.00 -0.22 0.00 0.00 54.13 53.00 1f4h s LEU 944 Cb -0.08 -1.56 0.08 0.00 0.50 0.00 0.00 46.19 45.13 1f4h s LEU 944 CO -0.19 0.02 0.51 0.20 -1.32 0.00 0.00 176.35 175.57 1f4h s ASN 945 N -3.57 -0.63 -0.23 3.68 0.01 -0.31 -1.22 114.94 112.65 1f4h s ASN 945 Ca 0.31 1.16 -0.11 0.00 -0.71 0.00 0.00 52.86 53.51 1f4h s ASN 945 Cb -0.06 1.28 0.09 0.00 0.41 0.00 0.00 41.25 42.97 1f4h s ASN 945 CO 0.18 -0.22 0.54 -0.47 -1.51 0.00 0.00 177.10 175.63 1f4h s TYR 946 N 1.99 -0.93 0.00 2.20 5.04 -0.95 -2.01 117.35 122.69 1f4h s TYR 946 Ca -0.07 1.80 0.00 0.00 -2.44 0.00 0.00 57.07 56.36 1f4h s TYR 946 Cb -0.09 0.49 0.00 0.00 0.35 0.00 0.00 41.96 42.71 1f4h s TYR 946 CO -0.15 -0.49 0.00 0.41 -1.34 0.00 0.00 175.55 173.97 1f4h n GLY 947 N 4.78 2.84 0.63 8.97 0.00 -1.26 -1.57 105.19 119.57 1f4h n GLY 947 Ca -0.17 -0.27 0.12 0.00 0.00 0.00 0.00 46.02 45.70 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 13.58 1.66 -3.40 1.61 -0.04 -1.26 -4.92 135.00 142.22 1f4h n PRO 948 Ca 0.00 -1.26 -0.31 0.00 -0.04 0.00 0.00 63.50 61.89 1f4h n PRO 948 Cb 0.00 -1.47 -0.05 0.00 -0.04 0.00 0.00 33.50 31.94 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 -2.21 3.45 -0.01 0.54 3.76 -0.61 -0.92 115.29 119.29 1f4h s HIS 949 Ca 0.27 0.77 0.02 0.00 -0.15 0.00 0.00 55.06 55.97 1f4h s HIS 949 Cb 0.20 -2.19 -0.00 0.00 1.11 0.00 0.00 32.58 31.69 1f4h s HIS 949 CO 0.42 0.25 -0.07 -1.14 -0.85 0.00 0.00 174.74 173.34 1f4h s GLN 950 N -3.06 0.61 0.06 1.40 0.74 0.28 -2.25 119.66 117.45 1f4h s GLN 950 Ca 0.46 -0.26 0.07 0.00 0.05 0.00 0.00 55.36 55.68 1f4h s GLN 950 Cb -0.11 -0.59 -0.03 0.00 1.10 0.00 0.00 33.01 33.38 1f4h s GLN 950 CO 0.25 0.15 -0.19 -1.58 -0.55 0.00 0.00 175.29 173.36 1f4h s TRP 951 N -0.13 1.69 0.01 1.67 0.51 -0.36 -0.93 118.94 121.41 1f4h s TRP 951 Ca 0.02 -0.38 0.01 0.00 -2.12 0.00 0.00 56.10 53.62 1f4h s TRP 951 Cb -0.03 -0.98 -0.01 0.00 -0.81 0.00 0.00 33.47 31.63 1f4h s TRP 951 CO -0.00 0.11 -0.03 1.03 -0.51 0.00 0.00 176.95 177.54 1f4h s ARG 952 N -1.35 0.26 0.00 4.98 0.52 -0.70 0.75 118.95 123.41 1f4h s ARG 952 Ca 0.06 -0.39 0.00 0.00 -0.52 0.00 0.00 55.73 54.88 1f4h s ARG 952 Cb -0.09 -0.05 0.00 0.00 0.52 0.00 0.00 34.95 35.33 1f4h s ARG 952 CO 0.02 0.00 0.00 0.41 0.02 0.00 0.00 175.30 175.75 1f4h n GLY 953 N 2.20 0.56 2.99 -3.53 0.00 -0.92 -2.13 105.19 104.36 1f4h n GLY 953 Ca -0.19 -1.45 -0.31 0.00 0.00 0.00 0.00 46.02 44.07 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 4.65 0.19 1.61 -1.08 -1.26 -3.90 116.67 112.89 1f4h s ASP 954 Ca 0.00 -2.22 -0.09 0.00 -0.52 0.00 0.00 52.55 49.73 1f4h s ASP 954 Cb 0.00 -1.57 -0.01 0.00 -1.46 0.00 0.00 42.92 39.88 1f4h s ASP 954 CO 0.00 -0.37 0.31 0.72 0.52 0.00 0.00 175.17 176.35 1f4h s PHE 955 N 0.82 0.53 0.07 -5.34 -0.12 -1.11 -4.77 117.98 108.06 1f4h s PHE 955 Ca 0.12 -0.87 0.04 0.00 -0.05 0.00 0.00 56.93 56.17 1f4h s PHE 955 Cb -0.20 -0.08 -0.04 0.00 -0.63 0.00 0.00 43.02 42.07 1f4h s PHE 955 CO -0.08 -0.78 0.02 -0.65 -0.05 0.00 0.00 175.22 173.67 1f4h s GLN 956 N -4.02 2.67 0.28 1.99 -1.52 0.46 -0.32 119.66 119.19 1f4h s GLN 956 Ca 0.23 -0.75 -0.14 0.00 -1.95 0.00 0.00 55.36 52.74 1f4h s GLN 956 Cb 0.03 -2.61 0.01 0.00 -0.22 0.00 0.00 33.01 30.22 1f4h s GLN 956 CO 0.05 0.57 0.57 -0.59 -0.25 0.00 0.00 175.29 175.63 1f4h s PHE 957 N -1.27 0.25 -0.01 0.91 -0.12 -0.61 -0.06 117.98 117.07 1f4h s PHE 957 Ca 0.25 -0.65 -0.29 0.00 -0.05 0.00 0.00 56.93 56.18 1f4h s PHE 957 Cb -0.12 0.37 0.07 0.00 -0.63 0.00 0.00 43.02 42.71 1f4h s PHE 957 CO 0.17 -1.12 0.67 0.54 -0.05 0.00 0.00 175.22 175.43 1f4h s ASN 958 N -3.01 -0.64 -0.22 1.98 2.20 -0.63 0.28 114.94 114.90 1f4h s ASN 958 Ca 0.19 0.57 -0.06 0.00 -0.94 0.00 0.00 52.86 52.63 1f4h s ASN 958 Cb -0.02 0.55 0.11 0.00 -2.00 0.00 0.00 41.25 39.88 1f4h s ASN 958 CO 0.10 -0.68 0.44 -0.51 -2.94 0.00 0.00 177.10 173.51 1f4h s ILE 959 N -1.70 -0.69 0.00 0.54 2.07 -1.26 -2.47 121.20 117.69 1f4h s ILE 959 Ca -0.08 0.08 0.00 0.00 -1.41 0.00 0.00 60.65 59.24 1f4h s ILE 959 Cb -0.00 -0.75 0.00 0.00 0.13 0.00 0.00 42.46 41.83 1f4h s ILE 959 CO 0.05 0.01 0.00 -1.54 -1.91 0.00 0.00 174.94 171.55 1f4h n SER 960 N 5.39 0.00 -1.77 4.50 3.41 -1.09 -4.59 113.62 119.48 1f4h n SER 960 Ca -0.07 -0.01 -0.15 0.00 -0.26 0.00 0.00 58.87 58.38 1f4h n SER 960 Cb 0.50 0.00 0.06 0.00 -0.26 0.00 0.00 64.21 64.51 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 2.90 -4.13 4.33 5.12 -1.26 -1.52 116.66 122.10 1f4h n ARG 961 Ca 0.00 -3.86 -0.17 0.00 -1.93 0.00 0.00 57.85 51.89 1f4h n ARG 961 Cb 0.00 -2.01 -0.15 0.00 -1.16 0.00 0.00 32.46 29.14 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 -3.44 0.51 0.49 -1.55 1.51 -1.26 -0.65 117.35 112.95 1f4h s TYR 962 Ca 0.46 -0.10 -0.19 0.00 -1.01 0.00 0.00 57.07 56.23 1f4h s TYR 962 Cb 0.39 -0.39 -0.09 0.00 -0.11 0.00 0.00 41.96 41.76 1f4h s TYR 962 CO 0.00 -0.06 0.98 -1.54 -1.11 0.00 0.00 175.55 173.82 1f4h s SER 963 N 0.24 6.66 0.54 2.29 1.04 -1.26 -4.86 113.70 118.35 1f4h s SER 963 Ca -0.03 1.67 0.23 0.00 0.48 0.00 0.00 55.95 58.30 1f4h s SER 963 Cb -0.06 -2.53 1.44 0.00 0.10 0.00 0.00 66.02 64.97 1f4h s SER 963 CO -0.00 -0.56 2.08 1.56 0.98 0.00 0.00 173.24 177.30 1f4h h GLN 964 N 1.32 0.00 0.00 4.02 1.08 -2.00 0.58 115.11 120.11 1f4h h GLN 964 Ca -0.48 0.00 -0.11 0.00 -1.45 0.00 0.00 58.65 56.61 1f4h h GLN 964 Cb 1.19 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.60 1f4h h GLN 964 CO 0.61 0.00 -0.85 0.37 -0.95 0.00 0.00 178.83 178.01 1f4h h GLN 965 N 0.00 0.00 -0.20 1.46 4.15 -1.99 -3.02 115.11 115.50 1f4h h GLN 965 Ca 0.12 0.00 -0.13 0.00 0.77 0.00 0.00 58.65 59.41 1f4h h GLN 965 Cb 0.51 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.19 1f4h h GLN 965 CO -0.00 0.34 -0.42 0.37 -1.93 0.00 0.00 178.83 177.19 1f4h h GLN 966 N 0.00 0.48 -0.22 1.69 4.15 -1.26 -2.88 115.11 117.07 1f4h h GLN 966 Ca -0.06 -0.24 -0.12 0.00 0.77 0.00 0.00 58.65 58.99 1f4h h GLN 966 Cb 1.39 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 29.08 1f4h h GLN 966 CO 0.05 0.81 -0.37 -0.07 -1.93 0.00 0.00 178.83 177.32 1f4h h LEU 967 N 0.39 0.52 -0.31 -2.39 3.38 -1.42 -2.74 115.31 112.75 1f4h h LEU 967 Ca 0.03 -0.22 -0.09 0.00 0.09 0.00 0.00 57.88 57.70 1f4h h LEU 967 Cb 0.90 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.49 1f4h h LEU 967 CO 0.08 0.85 -0.41 -0.03 0.09 0.00 0.00 178.44 179.02 1f4h h MET 968 N 0.42 0.00 -0.14 1.13 4.05 -1.43 -3.33 114.93 115.63 1f4h h MET 968 Ca 0.04 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.46 1f4h h MET 968 Cb 0.84 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.64 1f4h h MET 968 CO 0.07 0.41 0.00 -0.85 0.23 0.00 0.00 176.91 176.77 1f4h n GLU 969 N -3.28 1.93 -3.80 0.39 -0.00 -1.10 -4.91 120.64 109.88 1f4h n GLU 969 Ca 0.02 -1.83 -0.36 0.00 -0.00 0.00 0.00 57.16 54.99 1f4h n GLU 969 Cb 0.64 -1.39 -0.13 0.00 -0.00 0.00 0.00 31.44 30.56 1f4h n GLU 969 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.13 178.12 1f4h s THR 970 N -1.51 3.99 0.08 3.84 2.01 -1.05 -5.01 115.64 117.99 1f4h s THR 970 Ca 0.26 -0.34 0.14 0.00 0.31 0.00 0.00 61.69 62.07 1f4h s THR 970 Cb 0.17 -2.88 0.02 0.00 0.01 0.00 0.00 72.50 69.83 1f4h s THR 970 CO 0.25 0.33 1.54 0.77 -0.69 0.00 0.00 174.62 176.82 1f4h h SER 971 N 8.20 0.00 -4.27 3.53 4.64 -1.91 -3.37 113.55 120.38 1f4h h SER 971 Ca -0.38 0.00 -0.44 0.00 -0.47 0.00 0.00 61.79 60.49 1f4h h SER 971 Cb 1.16 0.00 -0.26 0.00 -0.31 0.00 0.00 62.40 62.99 1f4h h SER 971 CO 0.59 0.57 -0.79 -1.00 -0.87 0.00 0.00 176.83 175.32 1f4h s HIS 972 N -3.24 1.17 0.59 4.77 3.76 -1.26 -4.32 115.29 116.75 1f4h s HIS 972 Ca 0.01 -0.30 0.39 0.00 -0.15 0.00 0.00 55.06 55.01 1f4h s HIS 972 Cb 0.10 -0.71 2.15 0.00 1.11 0.00 0.00 32.58 35.22 1f4h s HIS 972 CO 0.74 0.01 2.30 0.07 -0.85 0.00 0.00 174.74 177.01 1f4h h ARG 973 N 5.25 0.00 0.00 1.40 0.11 -1.51 -0.37 114.38 119.26 1f4h h ARG 973 Ca -0.36 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.72 1f4h h ARG 973 Cb 1.18 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.26 1f4h h ARG 973 CO 0.46 0.01 0.00 1.12 0.10 0.00 0.00 179.97 181.66 1f4h h HIS 974 N 0.00 0.00 -0.02 4.08 2.07 -1.93 -3.16 115.15 116.19 1f4h h HIS 974 Ca -0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 1f4h h HIS 974 Cb 0.07 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.05 1f4h h HIS 974 CO 0.00 0.00 -0.16 1.28 -3.07 0.00 0.00 177.93 175.98 1f4h n LEU 975 N -2.43 2.33 -4.76 6.12 4.77 -0.15 -4.93 117.00 117.95 1f4h n LEU 975 Ca 0.04 -0.79 -0.37 0.00 -0.03 0.00 0.00 56.01 54.85 1f4h n LEU 975 Cb 0.36 -0.01 0.01 0.00 -2.33 0.00 0.00 43.42 41.45 1f4h n LEU 975 CO 0.27 0.40 0.86 -0.76 -1.33 0.00 0.00 177.39 176.83 1f4h s LEU 976 N -2.18 3.90 0.03 2.23 1.43 -1.20 -5.04 118.68 117.84 1f4h s LEU 976 Ca 0.26 2.42 0.04 0.00 -1.03 0.00 0.00 54.13 55.82 1f4h s LEU 976 Cb 0.20 -4.34 -0.02 0.00 0.03 0.00 0.00 46.19 42.06 1f4h s LEU 976 CO 0.40 -1.21 -0.12 -1.00 0.23 0.00 0.00 176.35 174.65 1f4h s HIS 977 N -1.51 1.09 0.54 0.29 3.76 -1.26 -5.10 115.29 113.09 1f4h s HIS 977 Ca 0.68 -0.33 -0.22 0.00 -0.15 0.00 0.00 55.06 55.05 1f4h s HIS 977 Cb -0.31 -0.66 -0.05 0.00 1.11 0.00 0.00 32.58 32.67 1f4h s HIS 977 CO 0.37 0.01 1.33 0.00 -0.85 0.00 0.00 174.74 175.60 1f4h s ALA 978 N -0.77 2.81 0.75 -1.40 0.00 -1.26 -4.82 121.76 117.07 1f4h s ALA 978 Ca 0.01 1.28 -0.03 0.00 0.00 0.00 0.00 51.96 53.22 1f4h s ALA 978 Cb -0.07 -3.54 0.14 0.00 0.00 0.00 0.00 23.12 19.64 1f4h s ALA 978 CO 0.01 -1.30 0.94 0.39 0.00 0.00 0.00 175.76 175.79 1f4h n GLU 979 N -1.02 -0.22 0.15 0.00 1.02 0.17 -4.99 120.64 115.74 1f4h n GLU 979 Ca 0.10 -2.30 0.05 0.00 -0.02 0.00 0.00 57.16 54.99 1f4h n GLU 979 Cb 0.46 -0.70 0.49 0.00 -0.02 0.00 0.00 31.44 31.67 1f4h n GLU 979 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1f4h h GLU 980 N 0.00 0.19 0.00 3.49 5.08 -1.96 -3.47 114.58 117.91 1f4h h GLU 980 Ca -0.31 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.03 1f4h h GLU 980 Cb 1.07 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.29 1f4h h GLU 980 CO 0.31 0.23 0.00 0.41 -1.00 0.00 0.00 179.01 178.95 1f4h n GLY 981 N -1.23 3.43 3.71 -3.84 0.00 -1.26 -5.00 105.19 101.00 1f4h n GLY 981 Ca -0.01 -1.05 -0.41 0.00 0.00 0.00 0.00 46.02 44.55 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 -2.43 4.93 0.09 2.61 2.01 -1.16 -4.65 115.64 117.04 1f4h s THR 982 Ca 0.00 1.83 -0.19 0.00 0.31 0.00 0.00 61.69 63.64 1f4h s THR 982 Cb 0.00 -4.22 -0.07 0.00 0.01 0.00 0.00 72.50 68.22 1f4h s THR 982 CO 0.00 0.19 0.58 0.26 -0.69 0.00 0.00 174.62 174.96 1f4h s TRP 983 N 0.96 3.79 -0.03 4.92 0.52 -0.58 0.10 118.94 128.63 1f4h s TRP 983 Ca 0.47 1.28 0.01 0.00 0.02 0.00 0.00 56.10 57.87 1f4h s TRP 983 Cb -0.20 -2.50 0.02 0.00 -1.15 0.00 0.00 33.47 29.64 1f4h s TRP 983 CO 0.24 0.56 -0.02 -1.17 0.02 0.00 0.00 176.95 176.58 1f4h s LEU 984 N -1.23 1.39 -0.24 2.99 2.96 -0.10 -2.65 118.68 121.80 1f4h s LEU 984 Ca 0.31 -0.06 0.02 0.00 -0.22 0.00 0.00 54.13 54.18 1f4h s LEU 984 Cb -0.19 -0.28 0.05 0.00 0.50 0.00 0.00 46.19 46.28 1f4h s LEU 984 CO 0.19 -0.06 -0.11 0.20 -1.32 0.00 0.00 176.35 175.26 1f4h s ASN 985 N 0.75 4.12 -0.26 3.68 0.01 -1.03 -0.66 114.94 121.55 1f4h s ASN 985 Ca -0.08 -1.24 -0.01 0.00 -0.71 0.00 0.00 52.86 50.82 1f4h s ASN 985 Cb -0.11 -1.47 0.04 0.00 0.41 0.00 0.00 41.25 40.11 1f4h s ASN 985 CO -0.01 -0.17 -0.07 -0.63 -1.51 0.00 0.00 177.10 174.72 1f4h s ILE 986 N 1.19 2.73 -0.14 0.60 1.01 0.34 -1.60 121.20 125.32 1f4h s ILE 986 Ca -0.06 -1.19 -0.04 0.00 0.00 0.00 0.00 60.65 59.36 1f4h s ILE 986 Cb -0.19 -2.44 -0.03 0.00 0.01 0.00 0.00 42.46 39.81 1f4h s ILE 986 CO -0.06 0.12 -0.02 -1.81 0.00 0.00 0.00 174.94 173.17 1f4h s ASP 987 N 1.27 5.02 0.13 3.58 1.01 0.92 -0.24 116.67 128.35 1f4h s ASP 987 Ca -0.02 -0.03 -0.03 0.00 0.71 0.00 0.00 52.55 53.19 1f4h s ASP 987 Cb -0.18 -1.70 -0.11 0.00 1.01 0.00 0.00 42.92 41.95 1f4h s ASP 987 CO -0.04 0.23 1.29 1.23 0.21 0.00 0.00 175.17 178.09 1f4h h GLY 988 N 6.24 0.38 -5.33 0.21 0.00 -1.55 0.13 103.07 103.15 1f4h h GLY 988 Ca -0.38 -0.70 -0.19 0.00 0.00 0.00 0.00 47.33 46.06 1f4h h GLY 988 CO 0.61 0.62 -0.59 -1.36 0.00 0.00 0.00 176.54 175.82 1f4h s PHE 989 N -3.15 -0.06 -0.01 5.60 0.40 -0.88 -4.65 117.98 115.23 1f4h s PHE 989 Ca -0.05 0.15 0.00 0.00 -0.60 0.00 0.00 56.93 56.44 1f4h s PHE 989 Cb 0.09 0.01 0.01 0.00 0.51 0.00 0.00 43.02 43.64 1f4h s PHE 989 CO 0.86 -0.10 0.01 -1.58 0.70 0.00 0.00 175.22 175.11 1f4h s HIS 990 N -0.27 0.06 0.96 0.36 2.46 -1.26 0.02 115.29 117.61 1f4h s HIS 990 Ca -0.03 0.04 -0.12 0.00 0.47 0.00 0.00 55.06 55.41 1f4h s HIS 990 Cb -0.02 -0.12 0.16 0.00 -0.13 0.00 0.00 32.58 32.47 1f4h s HIS 990 CO 0.00 -0.04 1.09 1.41 -2.47 0.00 0.00 174.74 174.74 1f4h s MET 991 N 0.40 0.76 1.18 2.88 1.75 0.12 -4.82 119.30 121.57 1f4h s MET 991 Ca -0.03 0.61 -0.18 0.00 -1.25 0.00 0.00 55.69 54.83 1f4h s MET 991 Cb -0.05 -1.77 0.27 0.00 2.84 0.00 0.00 34.83 36.12 1f4h s MET 991 CO -0.01 -2.52 1.10 0.20 -0.65 0.00 0.00 175.02 173.14 1f4h s GLY 992 N -3.48 1.58 -0.12 2.11 0.00 0.08 -4.65 107.32 102.83 1f4h s GLY 992 Ca 0.64 -0.86 0.15 0.00 0.00 0.00 0.00 44.72 44.66 1f4h s GLY 992 CO 0.57 -0.01 0.15 0.29 0.00 0.00 0.00 173.10 174.10 1f4h n ILE 993 N -4.69 0.77 -4.18 0.90 -5.35 -1.26 -4.97 119.36 100.58 1f4h n ILE 993 Ca 0.12 -0.59 0.00 0.00 -0.27 0.00 0.00 62.75 62.00 1f4h n ILE 993 Cb 0.59 -0.37 0.00 0.00 -1.74 0.00 0.00 39.64 38.12 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 1.87 -1.53 0.00 3.28 0.00 -1.26 -4.79 105.19 102.76 1f4h n GLY 994 Ca -0.19 -1.29 0.00 0.00 0.00 0.00 0.00 46.02 44.53 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 1.18 0.64 -0.02 0.00 -1.26 -1.28 105.19 104.45 1f4h n GLY 995 Ca 0.00 0.00 0.49 0.00 0.00 0.00 0.00 46.02 46.51 1f4h n GLY 995 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1f4h n ASP 996 N 0.00 0.05 -3.59 1.61 9.92 -1.26 -1.78 116.55 121.50 1f4h n ASP 996 Ca 0.00 1.05 -0.05 0.00 -0.53 0.00 0.00 54.79 55.27 1f4h n ASP 996 Cb 0.00 -0.52 -0.02 0.00 -0.64 0.00 0.00 41.12 39.94 1f4h n ASP 996 CO 0.00 0.00 0.00 1.51 0.13 0.00 0.00 177.20 178.84 1f4h s ASP 997 N -3.96 -0.20 -0.06 -2.24 -4.77 -1.26 -4.09 116.67 100.08 1f4h s ASP 997 Ca -0.05 -0.08 0.11 0.00 -3.30 0.00 0.00 52.55 49.23 1f4h s ASP 997 Cb 0.27 0.27 0.32 0.00 -1.09 0.00 0.00 42.92 42.69 1f4h s ASP 997 CO 0.85 -0.46 1.25 -1.20 0.70 0.00 0.00 175.17 176.32 1f4h n SER 998 N -0.26 3.01 -0.04 2.11 7.64 -1.26 -4.49 113.62 120.33 1f4h n SER 998 Ca -0.05 -2.36 0.04 0.00 1.01 0.00 0.00 58.87 57.51 1f4h n SER 998 Cb 0.60 -0.30 0.05 0.00 -1.01 0.00 0.00 64.21 63.56 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 -0.06 0.00 -3.73 1.43 2.14 -1.26 -4.20 117.44 111.76 1f4h n TRP 999 Ca 0.13 -0.63 -0.09 0.00 2.07 0.00 0.00 57.50 58.97 1f4h n TRP 999 Cb 0.54 -0.08 -0.03 0.00 -0.81 0.00 0.00 31.31 30.93 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 -1.62 -0.31 -0.08 -0.67 1.04 -1.26 -4.66 113.70 106.15 1f4h s SER 1000Ca 0.11 -0.46 -0.29 0.00 0.48 0.00 0.00 55.95 55.79 1f4h s SER 1000Cb 0.10 0.63 -0.06 0.00 0.10 0.00 0.00 66.02 66.78 1f4h s SER 1000CO 0.01 -1.13 1.93 -2.84 0.98 0.00 0.00 173.24 172.19 1f4h s PRO 1001N -3.87 3.83 -0.04 4.02 0.02 -1.26 -4.79 135.00 132.91 1f4h s PRO 1001Ca 0.09 2.25 0.22 0.00 0.02 0.00 0.00 61.00 63.57 1f4h s PRO 1001Cb -0.02 -4.17 -0.33 0.00 0.02 0.00 0.00 34.50 29.99 1f4h s PRO 1001CO -0.01 -1.29 0.45 0.43 -0.33 0.00 0.00 177.00 176.25 1f4h n SER 1002N 8.68 0.06 -4.67 2.53 7.64 -1.26 -4.99 113.62 121.60 1f4h n SER 1002Ca 0.22 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.68 1f4h n SER 1002Cb 0.43 1.93 -0.03 0.00 -1.01 0.00 0.00 64.21 65.53 1f4h n SER 1002CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1f4h s VAL 1003N -3.44 3.36 -0.05 0.44 1.01 -1.26 -4.58 120.40 115.87 1f4h s VAL 1003Ca -0.08 0.63 -0.27 0.00 0.00 0.00 0.00 61.98 62.27 1f4h s VAL 1003Cb 0.13 -3.41 -0.03 0.00 0.00 0.00 0.00 36.38 33.07 1f4h s VAL 1003CO 0.90 -0.03 0.85 -0.44 0.00 0.00 0.00 175.10 176.37 1f4h s SER 1004N 2.86 7.16 0.00 3.32 0.01 -1.26 -4.88 113.70 120.91 1f4h s SER 1004Ca 0.73 1.41 0.00 0.00 1.31 0.00 0.00 55.95 59.40 1f4h s SER 1004Cb -0.36 -2.49 0.00 0.00 0.21 0.00 0.00 66.02 63.38 1f4h s SER 1004CO 0.31 -0.22 0.00 0.00 0.41 0.00 0.00 173.24 173.74 1f4h n ALA 1005N 4.02 0.00 0.40 1.44 0.00 -1.26 0.17 120.51 125.27 1f4h n ALA 1005Ca 0.03 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.51 1f4h n ALA 1005Cb 0.51 0.00 0.21 0.00 0.00 0.00 0.00 19.45 20.17 1f4h n ALA 1005CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1f4h n GLU 1006N -3.17 0.13 -0.00 0.00 4.71 -1.26 -1.13 120.64 119.92 1f4h n GLU 1006Ca 0.00 0.19 0.06 0.00 -0.01 0.00 0.00 57.16 57.39 1f4h n GLU 1006Cb 0.00 -1.50 -0.08 0.00 -1.01 0.00 0.00 31.44 28.85 1f4h n GLU 1006CO 0.00 0.00 0.00 1.19 0.09 0.00 0.00 177.13 178.41 1f4h n PHE 1007N -1.25 0.00 -2.74 -0.32 0.99 0.45 -4.99 117.46 109.60 1f4h n PHE 1007Ca 0.04 0.00 -0.36 0.00 -0.00 0.00 0.00 57.45 57.13 1f4h n PHE 1007Cb 0.06 -0.14 -0.06 0.00 -1.00 0.00 0.00 39.48 38.33 1f4h n PHE 1007CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.76 176.11 1f4h s GLN 1008N -2.48 4.45 -0.93 -1.08 -0.21 -0.28 -0.74 119.66 118.40 1f4h s GLN 1008Ca -0.00 1.33 -0.16 0.00 0.02 0.00 0.00 55.36 56.55 1f4h s GLN 1008Cb 0.08 -2.66 0.18 0.00 1.00 0.00 0.00 33.01 31.61 1f4h s GLN 1008CO 0.48 0.16 1.02 -0.51 -2.12 0.00 0.00 175.29 174.32 1f4h s LEU 1009N -2.33 5.78 -0.17 2.90 1.43 -1.26 -4.82 118.68 120.20 1f4h s LEU 1009Ca 0.53 -2.48 0.16 0.00 -1.03 0.00 0.00 54.13 51.32 1f4h s LEU 1009Cb -0.18 -2.32 0.44 0.00 0.03 0.00 0.00 46.19 44.17 1f4h s LEU 1009CO 0.23 -0.80 1.19 -1.54 0.23 0.00 0.00 176.35 175.66 1f4h n SER 1010N 5.25 2.07 0.03 2.29 3.41 -1.26 -4.21 113.62 121.20 1f4h n SER 1010Ca 0.21 -3.12 0.11 0.00 -0.26 0.00 0.00 58.87 55.82 1f4h n SER 1010Cb 0.47 -0.43 0.00 0.00 -0.26 0.00 0.00 64.21 64.00 1f4h n SER 1010CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1f4h n ALA 1011N -0.53 3.27 0.00 7.33 0.00 -1.26 -4.99 120.51 124.33 1f4h n ALA 1011Ca 0.18 -0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.23 1f4h n ALA 1011Cb 0.88 -0.96 0.00 0.00 0.00 0.00 0.00 19.45 19.37 1f4h n ALA 1011CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1f4h n GLY 1012N 1.34 1.73 3.25 0.00 0.00 -1.26 -4.94 105.19 105.31 1f4h n GLY 1012Ca 0.01 -0.25 -0.32 0.00 0.00 0.00 0.00 46.02 45.46 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 3.00 -0.02 1.61 3.00 -1.26 -0.88 118.95 124.40 1f4h s ARG 1013Ca 0.00 -0.86 0.05 0.00 0.00 0.00 0.00 55.73 54.92 1f4h s ARG 1013Cb 0.00 -2.32 -0.01 0.00 0.00 0.00 0.00 34.95 32.62 1f4h s ARG 1013CO 0.00 0.22 -0.16 0.71 0.00 0.00 0.00 175.30 176.08 1f4h s TYR 1014N 0.24 1.46 -0.03 -0.53 1.51 -0.75 -5.01 117.35 114.24 1f4h s TYR 1014Ca -0.15 -0.32 0.04 0.00 -1.01 0.00 0.00 57.07 55.62 1f4h s TYR 1014Cb -0.17 -0.96 -0.00 0.00 -0.11 0.00 0.00 41.96 40.72 1f4h s TYR 1014CO 0.08 -0.07 -0.13 -1.58 -1.11 0.00 0.00 175.55 172.74 1f4h s HIS 1015N -0.21 1.25 0.05 2.71 5.65 -1.26 -1.59 115.29 121.88 1f4h s HIS 1015Ca 0.03 -0.31 -0.18 0.00 0.25 0.00 0.00 55.06 54.85 1f4h s HIS 1015Cb -0.08 -0.85 0.04 0.00 -1.18 0.00 0.00 32.58 30.51 1f4h s HIS 1015CO 0.00 -0.09 0.42 1.52 -0.65 0.00 0.00 174.74 175.94 1f4h s TYR 1016N -0.00 -0.28 0.12 3.88 -0.85 -0.29 -4.97 117.35 114.96 1f4h s TYR 1016Ca -0.01 0.23 0.05 0.00 -0.52 0.00 0.00 57.07 56.82 1f4h s TYR 1016Cb -0.08 0.24 -0.04 0.00 0.38 0.00 0.00 41.96 42.45 1f4h s TYR 1016CO 0.01 -0.59 -0.11 -0.65 -1.52 0.00 0.00 175.55 172.69 1f4h s GLN 1017N -2.55 0.96 0.15 -3.49 -0.21 -1.26 0.02 119.66 113.28 1f4h s GLN 1017Ca -0.05 -1.27 -0.04 0.00 0.02 0.00 0.00 55.36 54.03 1f4h s GLN 1017Cb -0.01 -0.66 -0.03 0.00 1.00 0.00 0.00 33.01 33.31 1f4h s GLN 1017CO -0.03 0.10 0.15 -0.51 -2.12 0.00 0.00 175.29 172.89 1f4h s LEU 1018N -2.66 1.40 -0.20 2.90 1.43 0.16 -4.23 118.68 117.48 1f4h s LEU 1018Ca 0.10 -1.11 -0.05 0.00 -1.03 0.00 0.00 54.13 52.04 1f4h s LEU 1018Cb -0.02 0.64 0.10 0.00 0.03 0.00 0.00 46.19 46.94 1f4h s LEU 1018CO 0.01 -0.81 0.35 -0.69 0.23 0.00 0.00 176.35 175.45 1f4h s VAL 1019N -4.03 -0.56 0.01 -1.59 1.01 -0.91 -1.09 120.40 113.25 1f4h s VAL 1019Ca 0.23 0.10 0.00 0.00 0.00 0.00 0.00 61.98 62.32 1f4h s VAL 1019Cb 0.06 -0.66 -0.04 0.00 0.00 0.00 0.00 36.38 35.74 1f4h s VAL 1019CO 0.03 0.00 0.08 0.86 0.00 0.00 0.00 175.10 176.07 1f4h s TRP 1020N 2.53 3.27 0.18 5.22 -0.11 0.41 -1.73 118.94 128.72 1f4h s TRP 1020Ca 0.04 0.18 -0.24 0.00 1.22 0.00 0.00 56.10 57.31 1f4h s TRP 1020Cb -0.13 -1.72 0.06 0.00 -1.50 0.00 0.00 33.47 30.18 1f4h s TRP 1020CO -0.13 0.55 0.94 0.00 -4.62 0.00 0.00 176.95 173.69 1f4h s GLN 1022N -3.11 1.84 0.00 0.00 1.11 -1.25 0.10 119.66 118.34 1f4h s GLN 1022Ca 0.14 -2.03 0.00 0.00 0.01 0.00 0.00 55.36 53.47 1f4h s GLN 1022Cb -0.02 -1.32 0.00 0.00 -1.01 0.00 0.00 33.01 30.66 1f4h s GLN 1022CO 0.04 -0.11 0.00 1.63 0.01 0.00 0.00 175.29 176.85