#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f4n s ASP 3 N 0.00 7.14 0.09 0.00 1.11 -1.26 -5.02 116.67 118.73 3f4n s ASP 3 Ca 0.00 1.39 -0.26 0.00 0.18 0.00 0.00 52.55 53.86 3f4n s ASP 3 Cb 0.00 -2.50 -0.06 0.00 1.07 0.00 0.00 42.92 41.42 3f4n s ASP 3 CO 0.00 -0.35 0.82 -0.22 1.18 0.00 0.00 175.17 176.60 3f4n s LEU 4 N 1.69 4.50 0.14 1.23 2.96 -1.26 -4.99 118.68 122.95 3f4n s LEU 4 Ca 0.44 1.58 -0.10 0.00 -0.22 0.00 0.00 54.13 55.83 3f4n s LEU 4 Cb -0.18 -3.33 -0.06 0.00 0.50 0.00 0.00 46.19 43.11 3f4n s LEU 4 CO 0.18 0.05 0.47 -0.76 -1.32 0.00 0.00 176.35 174.97 3f4n s LEU 5 N -0.33 4.29 -0.30 -0.68 1.43 0.68 -4.94 118.68 118.83 3f4n s LEU 5 Ca 0.40 0.86 -0.08 0.00 -1.03 0.00 0.00 54.13 54.28 3f4n s LEU 5 Cb -0.22 -3.28 0.00 0.00 0.03 0.00 0.00 46.19 42.72 3f4n s LEU 5 CO 0.25 0.07 0.11 -0.22 0.23 0.00 0.00 176.35 176.80 3f4n s LEU 6 N -2.27 3.96 -0.24 1.79 2.96 -1.26 0.04 118.68 123.66 3f4n s LEU 6 Ca 0.39 -0.62 -0.13 0.00 -0.22 0.00 0.00 54.13 53.55 3f4n s LEU 6 Cb -0.13 -1.94 -0.04 0.00 0.50 0.00 0.00 46.19 44.58 3f4n s LEU 6 CO 0.20 -0.19 0.30 -0.83 -1.32 0.00 0.00 176.35 174.51 3f4n s GLY 7 N 1.55 1.99 -0.25 7.98 0.00 -0.06 -0.48 107.32 118.04 3f4n s GLY 7 Ca 0.04 -0.77 -0.12 0.00 0.00 0.00 0.00 44.72 43.86 3f4n s GLY 7 CO 0.04 0.71 0.25 0.14 0.00 0.00 0.00 173.10 174.25 3f4n s VAL 8 N 1.48 5.28 -0.21 1.40 1.01 0.05 -1.85 120.40 127.54 3f4n s VAL 8 Ca 0.13 0.33 -0.19 0.00 0.00 0.00 0.00 61.98 62.26 3f4n s VAL 8 Cb -0.15 -3.58 -0.03 0.00 0.00 0.00 0.00 36.38 32.62 3f4n s VAL 8 CO 0.08 0.26 0.54 0.21 0.00 0.00 0.00 175.10 176.19 3f4n s ASN 9 N 1.42 6.56 -0.24 3.32 3.84 -0.79 -0.65 114.94 128.39 3f4n s ASN 9 Ca 0.11 0.67 0.13 0.00 0.21 0.00 0.00 52.86 53.98 3f4n s ASN 9 Cb -0.15 -2.30 0.63 0.00 -0.55 0.00 0.00 41.25 38.88 3f4n s ASN 9 CO 0.08 -0.23 1.58 2.30 -2.79 0.00 0.00 177.10 178.05 3f4n n ILE 10 N 4.73 2.57 -0.22 -5.21 -5.35 -0.82 -4.38 119.36 110.67 3f4n n ILE 10 Ca -0.04 -1.87 0.09 0.00 -0.27 0.00 0.00 62.75 60.66 3f4n n ILE 10 Cb 0.50 -0.30 0.36 0.00 -1.74 0.00 0.00 39.64 38.47 3f4n n ILE 10 CO 0.00 0.00 0.00 0.44 -1.76 0.00 0.00 176.55 175.23 3f4n h ASP 11 N 2.24 0.66 1.13 7.28 3.32 -1.94 -2.75 116.42 126.36 3f4n h ASP 11 Ca 0.10 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.17 3f4n h ASP 11 Cb 1.79 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 41.23 3f4n h ASP 11 CO 0.42 0.39 0.00 1.41 -1.72 0.00 0.00 179.24 179.74 3f4n n HIS 12 N -4.51 0.33 -0.04 4.55 8.25 -1.26 -0.50 115.22 122.03 3f4n n HIS 12 Ca 0.14 0.10 -0.02 0.00 -0.26 0.00 0.00 57.72 57.67 3f4n n HIS 12 Cb 0.34 -0.66 0.22 0.00 1.12 0.00 0.00 29.99 31.01 3f4n n HIS 12 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 3f4n h ILE 13 N 0.00 1.23 0.18 1.59 1.08 -1.85 -2.62 117.51 117.12 3f4n h ILE 13 Ca 0.00 -0.96 -0.31 0.00 -0.39 0.00 0.00 64.86 63.21 3f4n h ILE 13 Cb 0.57 0.98 0.02 0.00 -3.07 0.00 0.00 36.82 35.32 3f4n h ILE 13 CO 0.00 0.33 -1.34 0.00 -0.69 0.00 0.00 178.15 176.45 3f4n h ALA 14 N 1.37 -0.03 -0.59 1.87 0.00 -0.89 -2.56 119.26 118.43 3f4n h ALA 14 Ca 0.12 -0.85 0.12 0.00 0.00 0.00 0.00 54.91 54.29 3f4n h ALA 14 Cb 0.44 0.10 -0.11 0.00 0.00 0.00 0.00 17.79 18.21 3f4n h ALA 14 CO 0.02 0.80 -0.18 1.15 0.00 0.00 0.00 179.25 181.04 3f4n h THR 15 N 0.14 0.37 -0.31 0.00 2.02 -1.15 0.45 112.91 114.42 3f4n h THR 15 Ca -0.20 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.99 3f4n h THR 15 Cb 2.04 0.37 -0.02 0.00 -1.74 0.00 0.00 68.15 68.80 3f4n h THR 15 CO 0.24 0.00 0.20 0.25 0.37 0.00 0.00 175.52 176.58 3f4n h LEU 16 N -0.03 0.36 0.67 2.58 5.85 -1.41 -2.84 115.31 120.49 3f4n h LEU 16 Ca 0.28 -0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.94 3f4n h LEU 16 Cb 0.46 -0.09 -0.00 0.00 0.37 0.00 0.00 40.66 41.40 3f4n h LEU 16 CO -0.62 0.28 -0.37 -0.09 -0.34 0.00 0.00 178.44 177.30 3f4n h ARG 17 N 0.41 -0.94 0.00 1.25 2.43 -0.96 -3.02 114.38 113.55 3f4n h ARG 17 Ca 0.11 0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.35 3f4n h ARG 17 Cb -0.02 0.21 0.00 0.00 -0.42 0.00 0.00 29.97 29.74 3f4n h ARG 17 CO -0.02 -0.62 0.00 -0.91 -1.51 0.00 0.00 179.97 176.90 3f4n h ASN 18 N -0.97 0.00 -0.67 -3.80 4.21 -0.07 -1.51 115.58 112.77 3f4n h ASN 18 Ca -0.09 0.00 0.20 0.00 1.21 0.00 0.00 56.30 57.62 3f4n h ASN 18 Cb 0.77 0.00 -0.03 0.00 -1.12 0.00 0.00 38.32 37.94 3f4n h ASN 18 CO 0.11 0.00 0.49 0.00 -1.29 0.00 0.00 177.43 176.74 3f4n h ALA 19 N 2.02 2.63 -1.19 -0.83 0.00 -1.36 -3.40 119.26 117.13 3f4n h ALA 19 Ca 0.00 -0.02 -0.61 0.00 0.00 0.00 0.00 54.91 54.28 3f4n h ALA 19 Cb 0.18 0.05 -0.13 0.00 0.00 0.00 0.00 17.79 17.89 3f4n h ALA 19 CO 0.00 -0.84 -0.55 1.03 0.00 0.00 0.00 179.25 178.89 3f4n s ARG 20 N -4.98 2.00 -0.62 0.00 1.81 -0.57 -5.05 118.95 111.55 3f4n s ARG 20 Ca -0.05 -2.21 -0.01 0.00 -1.72 0.00 0.00 55.73 51.73 3f4n s ARG 20 Cb 0.20 -1.25 0.46 0.00 -0.45 0.00 0.00 34.95 33.92 3f4n s ARG 20 CO 0.74 -0.29 2.02 0.41 -0.68 0.00 0.00 175.30 177.49 3f4n n GLY 21 N -1.03 5.58 3.94 -3.53 0.00 -1.26 -4.89 105.19 103.99 3f4n n GLY 21 Ca -0.11 -2.07 -0.25 0.00 0.00 0.00 0.00 46.02 43.59 3f4n n GLY 21 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3f4n s THR 22 N -4.46 2.26 -0.22 2.61 -4.23 -1.26 -5.00 115.64 105.34 3f4n s THR 22 Ca 0.62 -0.32 0.21 0.00 -1.18 0.00 0.00 61.69 61.01 3f4n s THR 22 Cb 0.49 -2.93 -0.00 0.00 1.34 0.00 0.00 72.50 71.39 3f4n s THR 22 CO 0.01 0.00 1.06 -0.29 -0.54 0.00 0.00 174.62 174.86 3f4n h ILE 23 N -0.65 0.19 -2.35 2.99 2.10 -1.93 -3.46 117.51 114.40 3f4n h ILE 23 Ca -0.43 -1.34 -0.54 0.00 1.08 0.00 0.00 64.86 63.63 3f4n h ILE 23 Cb 1.30 1.75 -0.07 0.00 -1.09 0.00 0.00 36.82 38.70 3f4n h ILE 23 CO 0.54 0.11 -0.58 -0.72 -1.08 0.00 0.00 178.15 176.41 3f4n s TYR 24 N -3.21 2.95 0.50 2.19 -0.85 -1.26 -3.89 117.35 113.79 3f4n s TYR 24 Ca -0.00 -0.14 -0.21 0.00 -0.52 0.00 0.00 57.07 56.20 3f4n s TYR 24 Cb 0.09 -1.35 -0.07 0.00 0.38 0.00 0.00 41.96 41.01 3f4n s TYR 24 CO 0.78 0.55 1.10 -1.25 -1.52 0.00 0.00 175.55 175.21 3f4n s PRO 25 N -3.58 3.63 -0.25 -3.49 0.04 -1.26 -4.41 135.00 125.67 3f4n s PRO 25 Ca 0.31 1.56 -0.10 0.00 0.04 0.00 0.00 61.00 62.82 3f4n s PRO 25 Cb -0.08 -2.15 -0.04 0.00 0.04 0.00 0.00 34.50 32.27 3f4n s PRO 25 CO 0.22 -0.61 0.14 0.34 0.04 0.00 0.00 177.00 177.13 3f4n s ASP 26 N -1.74 5.79 0.46 6.66 -1.08 -1.25 -4.51 116.67 120.99 3f4n s ASP 26 Ca 0.68 -0.02 0.22 0.00 -0.52 0.00 0.00 52.55 52.91 3f4n s ASP 26 Cb -0.22 -2.05 1.20 0.00 -1.46 0.00 0.00 42.92 40.39 3f4n s ASP 26 CO 0.26 0.00 1.88 -0.65 0.52 0.00 0.00 175.17 177.18 3f4n h PRO 27 N 7.98 0.27 -0.60 4.34 0.11 -1.90 -0.04 132.00 142.15 3f4n h PRO 27 Ca -0.37 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.71 3f4n h PRO 27 Cb 1.18 -0.06 -0.03 0.00 0.11 0.00 0.00 31.00 32.20 3f4n h PRO 27 CO 0.60 0.18 0.30 0.28 -0.21 0.00 0.00 178.00 179.14 3f4n h VAL 28 N 0.27 1.19 -0.61 3.15 2.07 -1.93 -1.44 116.25 118.95 3f4n h VAL 28 Ca 0.44 -0.52 -0.09 0.00 0.82 0.00 0.00 66.70 67.35 3f4n h VAL 28 Cb 1.27 0.41 -0.02 0.00 -1.52 0.00 0.00 31.29 31.44 3f4n h VAL 28 CO -0.12 0.22 0.03 -0.61 0.02 0.00 0.00 177.57 177.11 3f4n h GLN 29 N 0.84 1.07 -0.80 1.57 4.15 -1.42 -2.99 115.11 117.51 3f4n h GLN 29 Ca 0.21 -0.33 -0.02 0.00 0.77 0.00 0.00 58.65 59.29 3f4n h GLN 29 Cb 0.06 -0.10 -0.04 0.00 0.21 0.00 0.00 27.48 27.61 3f4n h GLN 29 CO -0.03 1.03 0.44 0.00 -1.93 0.00 0.00 178.83 178.34 3f4n h ALA 30 N 1.00 1.03 -0.52 3.38 0.00 -1.11 -2.01 119.26 121.03 3f4n h ALA 30 Ca 0.18 -0.12 0.06 0.00 0.00 0.00 0.00 54.91 55.02 3f4n h ALA 30 Cb 0.53 -0.32 -0.05 0.00 0.00 0.00 0.00 17.79 17.95 3f4n h ALA 30 CO 0.03 0.54 0.24 0.00 0.00 0.00 0.00 179.25 180.05 3f4n h ALA 31 N 1.23 0.67 0.26 0.00 0.00 -1.17 0.64 119.26 120.89 3f4n h ALA 31 Ca 0.28 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.22 3f4n h ALA 31 Cb 0.03 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3f4n h ALA 31 CO -0.05 -0.13 -0.13 0.74 0.00 0.00 0.00 179.25 179.69 3f4n h PHE 32 N 0.46 -0.33 -0.49 0.00 -1.00 -1.33 -2.16 116.94 112.09 3f4n h PHE 32 Ca 0.24 -0.01 0.09 0.00 2.81 0.00 0.00 57.97 61.11 3f4n h PHE 32 Cb 0.20 0.11 -0.10 0.00 3.61 0.00 0.00 35.95 39.76 3f4n h PHE 32 CO -0.12 -0.12 -0.29 0.82 -1.61 0.00 0.00 178.31 176.99 3f4n h ILE 33 N -0.47 0.25 -0.65 -0.55 1.08 -0.63 -2.13 117.51 114.41 3f4n h ILE 33 Ca -0.04 0.00 -0.05 0.00 -0.39 0.00 0.00 64.86 64.39 3f4n h ILE 33 Cb 0.35 0.25 -0.03 0.00 -3.07 0.00 0.00 36.82 34.33 3f4n h ILE 33 CO 0.06 0.00 0.22 0.00 -0.69 0.00 0.00 178.15 177.74 3f4n h ALA 34 N 1.01 1.16 -0.23 1.87 0.00 0.52 -2.55 119.26 121.04 3f4n h ALA 34 Ca 0.21 -0.19 -0.18 0.00 0.00 0.00 0.00 54.91 54.75 3f4n h ALA 34 Cb 0.52 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 3f4n h ALA 34 CO -0.59 0.59 -0.59 0.93 0.00 0.00 0.00 179.25 179.59 3f4n h GLU 35 N 0.95 0.74 0.00 0.00 5.08 -1.04 0.48 114.58 120.79 3f4n h GLU 35 Ca 0.22 -0.49 0.00 0.00 -1.00 0.00 0.00 59.36 58.09 3f4n h GLU 35 Cb 0.24 0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.56 3f4n h GLU 35 CO -0.01 1.11 0.00 1.04 -1.00 0.00 0.00 179.01 180.15 3f4n n GLN 36 N -3.97 0.91 -0.12 2.33 6.02 -0.83 -2.84 117.38 118.87 3f4n n GLN 36 Ca -0.04 0.00 0.04 0.00 -0.01 0.00 0.00 57.00 56.98 3f4n n GLN 36 Cb 0.64 -1.50 0.10 0.00 1.02 0.00 0.00 30.24 30.51 3f4n n GLN 36 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3f4n n ALA 37 N -1.04 2.12 0.00 -1.58 0.00 -0.98 -4.97 120.51 114.06 3f4n n ALA 37 Ca 0.22 -1.10 0.00 0.00 0.00 0.00 0.00 53.44 52.56 3f4n n ALA 37 Cb 0.13 -0.29 0.00 0.00 0.00 0.00 0.00 19.45 19.28 3f4n n ALA 37 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3f4n n GLY 38 N 0.18 1.23 3.82 0.00 0.00 -1.13 -2.86 105.19 106.44 3f4n n GLY 38 Ca 0.08 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.75 3f4n n GLY 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3f4n s ALA 39 N -2.00 3.32 -0.14 4.61 0.00 0.13 -4.76 121.76 122.92 3f4n s ALA 39 Ca 0.00 0.20 0.22 0.00 0.00 0.00 0.00 51.96 52.38 3f4n s ALA 39 Cb 0.00 -2.89 -0.24 0.00 0.00 0.00 0.00 23.12 19.99 3f4n s ALA 39 CO 0.00 0.29 0.65 -0.25 0.00 0.00 0.00 175.76 176.45 3f4n n ASP 40 N 0.20 0.26 -3.60 0.00 8.00 0.37 -4.52 116.55 117.27 3f4n n ASP 40 Ca 0.01 0.03 -0.11 0.00 0.71 0.00 0.00 54.79 55.43 3f4n n ASP 40 Cb 0.52 1.55 -0.04 0.00 -0.02 0.00 0.00 41.12 43.13 3f4n n ASP 40 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 3f4n s GLY 41 N -4.39 -0.34 -0.11 0.44 0.00 -1.02 -3.86 107.32 98.04 3f4n s GLY 41 Ca -0.05 0.13 0.02 0.00 0.00 0.00 0.00 44.72 44.82 3f4n s GLY 41 CO 0.88 -0.14 -0.20 -0.42 0.00 0.00 0.00 173.10 173.22 3f4n s ILE 42 N -3.52 2.46 -0.07 0.90 -1.09 -0.73 -0.77 121.20 118.37 3f4n s ILE 42 Ca 0.01 -0.88 0.00 0.00 -2.23 0.00 0.00 60.65 57.55 3f4n s ILE 42 Cb 0.01 -1.98 -0.03 0.00 -1.58 0.00 0.00 42.46 38.88 3f4n s ILE 42 CO -0.10 0.55 -0.05 -0.89 -1.23 0.00 0.00 174.94 173.21 3f4n s THR 43 N 0.30 3.83 -0.00 2.92 2.01 0.17 0.96 115.64 125.83 3f4n s THR 43 Ca -0.15 -0.43 -0.00 0.00 0.31 0.00 0.00 61.69 61.42 3f4n s THR 43 Cb -0.17 -2.58 0.00 0.00 0.01 0.00 0.00 72.50 69.77 3f4n s THR 43 CO 0.07 0.60 0.00 0.68 -0.69 0.00 0.00 174.62 175.28 3f4n s VAL 44 N -0.78 -0.00 -0.48 3.82 -7.23 -0.52 -1.95 120.40 113.26 3f4n s VAL 44 Ca 0.12 0.00 -0.16 0.00 -1.81 0.00 0.00 61.98 60.13 3f4n s VAL 44 Cb -0.11 -0.02 0.07 0.00 0.56 0.00 0.00 36.38 36.88 3f4n s VAL 44 CO 0.02 0.00 0.43 -2.28 -0.31 0.00 0.00 175.10 172.96 3f4n s HIS 45 N 0.02 3.21 -0.73 2.82 2.46 -1.26 -0.56 115.29 121.25 3f4n s HIS 45 Ca -0.00 -0.85 -0.25 0.00 0.47 0.00 0.00 55.06 54.43 3f4n s HIS 45 Cb -0.00 -3.22 0.04 0.00 -0.13 0.00 0.00 32.58 29.28 3f4n s HIS 45 CO -0.00 -0.83 1.20 -1.17 -2.47 0.00 0.00 174.74 171.47 3f4n s LEU 46 N 1.81 3.54 0.38 8.88 2.96 -0.93 -4.40 118.68 130.93 3f4n s LEU 46 Ca 0.06 -0.66 -0.24 0.00 -0.22 0.00 0.00 54.13 53.07 3f4n s LEU 46 Cb -0.23 -2.52 -0.10 0.00 0.50 0.00 0.00 46.19 43.84 3f4n s LEU 46 CO 0.08 -1.71 0.99 -0.13 -1.32 0.00 0.00 176.35 174.26 3f4n s ARG 47 N 5.21 4.31 0.24 1.98 0.52 -1.26 -4.61 118.95 125.33 3f4n s ARG 47 Ca 0.32 1.34 -0.06 0.00 -0.52 0.00 0.00 55.73 56.80 3f4n s ARG 47 Cb -0.10 -2.51 0.44 0.00 0.52 0.00 0.00 34.95 33.30 3f4n s ARG 47 CO 0.12 0.02 1.66 1.49 0.02 0.00 0.00 175.30 178.61 3f4n h GLU 48 N 2.53 0.17 0.00 3.54 4.81 -1.97 0.22 114.58 123.88 3f4n h GLU 48 Ca -0.48 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.74 3f4n h GLU 48 Cb 1.20 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.54 3f4n h GLU 48 CO 0.63 0.11 0.00 -0.40 -0.73 0.00 0.00 179.01 178.62 3f4n n ASP 49 N -5.25 0.00 -3.47 1.04 5.68 -1.26 -4.93 116.55 108.35 3f4n n ASP 49 Ca 0.14 0.28 -0.25 0.00 -0.50 0.00 0.00 54.79 54.45 3f4n n ASP 49 Cb 0.46 -0.41 0.05 0.00 -1.14 0.00 0.00 41.12 40.08 3f4n n ASP 49 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 3f4n n ARG 50 N -1.41 -6.10 0.17 0.11 3.00 0.77 -4.87 116.66 108.32 3f4n n ARG 50 Ca 0.07 0.77 0.02 0.00 -0.01 0.00 0.00 57.85 58.71 3f4n n ARG 50 Cb 0.21 -5.71 0.37 0.00 0.00 0.00 0.00 32.46 27.34 3f4n n ARG 50 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.63 177.70 3f4n h ARG 51 N -2.02 0.07 0.00 5.56 0.11 -1.92 -3.42 114.38 112.76 3f4n h ARG 51 Ca -0.55 -0.02 0.00 0.00 0.10 0.00 0.00 59.98 59.51 3f4n h ARG 51 Cb 1.36 -0.01 0.00 0.00 1.11 0.00 0.00 29.97 32.44 3f4n h ARG 51 CO 0.59 0.37 0.00 -2.39 0.10 0.00 0.00 179.97 178.64 3f4n n HIS 52 N -4.16 0.00 -1.70 4.08 1.44 -1.26 -4.74 115.22 108.88 3f4n n HIS 52 Ca -0.02 0.00 -0.43 0.00 -2.01 0.00 0.00 57.72 55.26 3f4n n HIS 52 Cb 0.36 0.00 -0.02 0.00 0.12 0.00 0.00 29.99 30.46 3f4n n HIS 52 CO 0.00 0.00 0.00 -0.89 -2.81 0.00 0.00 176.34 172.64 3f4n n ILE 53 N 0.00 1.35 -4.20 0.61 2.08 -1.26 -4.75 119.36 113.18 3f4n n ILE 53 Ca 0.00 -0.34 -0.24 0.00 0.56 0.00 0.00 62.75 62.74 3f4n n ILE 53 Cb 0.00 -1.64 -0.07 0.00 -0.75 0.00 0.00 39.64 37.18 3f4n n ILE 53 CO 0.00 0.00 0.00 0.42 0.56 0.00 0.00 176.55 177.53 3f4n s THR 54 N -0.42 2.93 0.37 1.39 -4.23 -1.26 -4.52 115.64 109.89 3f4n s THR 54 Ca 0.62 -1.81 0.17 0.00 -1.18 0.00 0.00 61.69 59.49 3f4n s THR 54 Cb -0.58 -2.90 0.36 0.00 1.34 0.00 0.00 72.50 70.72 3f4n s THR 54 CO 0.54 -0.21 1.71 0.44 -0.54 0.00 0.00 174.62 176.56 3f4n h ASP 55 N 1.67 0.50 -0.56 3.99 3.32 -1.97 0.44 116.42 123.82 3f4n h ASP 55 Ca -0.43 0.14 0.01 0.00 0.02 0.00 0.00 57.03 56.77 3f4n h ASP 55 Cb 1.25 0.07 -0.03 0.00 0.22 0.00 0.00 39.33 40.84 3f4n h ASP 55 CO 0.64 -0.02 0.36 -0.09 -1.72 0.00 0.00 179.24 178.41 3f4n h ARG 56 N 0.38 0.71 0.86 3.56 1.12 -1.99 -1.65 114.38 117.36 3f4n h ARG 56 Ca 0.68 -0.04 -0.04 0.00 -1.11 0.00 0.00 59.98 59.47 3f4n h ARG 56 Cb 1.64 -0.16 0.01 0.00 -0.01 0.00 0.00 29.97 31.45 3f4n h ARG 56 CO -0.46 0.47 -0.41 -0.44 -3.11 0.00 0.00 179.97 176.02 3f4n h ASP 57 N 0.73 -0.98 -0.46 -3.80 3.45 -1.36 -2.60 116.42 111.41 3f4n h ASP 57 Ca 0.21 0.03 0.09 0.00 0.43 0.00 0.00 57.03 57.79 3f4n h ASP 57 Cb -0.06 0.25 -0.09 0.00 -0.56 0.00 0.00 39.33 38.87 3f4n h ASP 57 CO -0.06 -0.68 -0.15 0.58 -1.57 0.00 0.00 179.24 177.36 3f4n h VAL 58 N -1.19 0.47 -0.25 -1.35 2.07 -1.20 0.40 116.25 115.20 3f4n h VAL 58 Ca -0.12 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.32 3f4n h VAL 58 Cb 0.89 0.47 -0.01 0.00 -1.52 0.00 0.00 31.29 31.12 3f4n h VAL 58 CO 0.19 0.00 -0.18 -0.09 0.02 0.00 0.00 177.57 177.51 3f4n h ARG 59 N -0.05 0.43 0.03 1.57 2.43 -1.30 -1.81 114.38 115.68 3f4n h ARG 59 Ca 0.22 -0.14 -0.07 0.00 -0.81 0.00 0.00 59.98 59.18 3f4n h ARG 59 Cb 0.39 -0.04 0.01 0.00 -0.42 0.00 0.00 29.97 29.90 3f4n h ARG 59 CO -0.50 0.60 -0.31 0.82 -1.51 0.00 0.00 179.97 179.08 3f4n h ILE 60 N 0.39 1.59 -0.98 1.20 2.04 -1.00 -3.33 117.51 117.43 3f4n h ILE 60 Ca 0.07 -2.15 0.17 0.00 1.00 0.00 0.00 64.86 63.95 3f4n h ILE 60 Cb 0.55 2.99 -0.10 0.00 -0.74 0.00 0.00 36.82 39.52 3f4n h ILE 60 CO 0.04 0.59 0.59 -0.07 0.00 0.00 0.00 178.15 179.29 3f4n h LEU 61 N -0.58 0.78 -2.22 1.44 3.38 0.01 0.38 115.31 118.50 3f4n h LEU 61 Ca -0.05 0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3f4n h LEU 61 Cb 1.13 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.82 3f4n h LEU 61 CO 0.06 0.32 0.01 -0.09 0.09 0.00 0.00 178.44 178.83 3f4n h ARG 62 N 0.80 0.00 -0.01 1.13 9.65 -1.45 0.60 114.38 125.10 3f4n h ARG 62 Ca 0.54 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.42 3f4n h ARG 62 Cb 0.77 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.35 3f4n h ARG 62 CO -0.35 0.00 -0.49 1.04 2.80 0.00 0.00 179.97 182.97 3f4n n GLN 63 N -4.20 0.53 0.00 0.20 6.02 0.13 -4.43 117.38 115.62 3f4n n GLN 63 Ca -0.03 -0.36 0.00 0.00 -0.01 0.00 0.00 57.00 56.60 3f4n n GLN 63 Cb 0.10 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 29.87 3f4n n GLN 63 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 3f4n n THR 64 N -0.92 0.00 -1.68 5.09 -2.24 0.48 -5.00 114.28 110.01 3f4n n THR 64 Ca 0.08 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.43 3f4n n THR 64 Cb 0.36 0.32 -0.03 0.00 -2.10 0.00 0.00 70.33 68.88 3f4n n THR 64 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 3f4n n ILE 65 N -1.43 0.40 1.09 2.28 5.41 0.18 -4.83 119.36 122.48 3f4n n ILE 65 Ca 0.00 -0.07 0.12 0.00 1.00 0.00 0.00 62.75 63.80 3f4n n ILE 65 Cb 0.05 -2.06 0.14 0.00 -0.71 0.00 0.00 39.64 37.06 3f4n n ILE 65 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3f4n n GLN 66 N 5.77 1.46 0.00 0.38 6.02 -1.26 -4.86 117.38 124.89 3f4n n GLN 66 Ca 0.19 -1.13 0.00 0.00 -0.01 0.00 0.00 57.00 56.04 3f4n n GLN 66 Cb 0.36 -1.48 0.00 0.00 1.02 0.00 0.00 30.24 30.14 3f4n n GLN 66 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 3f4n n THR 67 N 0.22 0.00 -5.00 5.09 -2.24 -1.26 -5.12 114.28 105.97 3f4n n THR 67 Ca 0.12 0.00 -0.27 0.00 -2.27 0.00 0.00 64.05 61.63 3f4n n THR 67 Cb 0.47 0.00 -0.16 0.00 -2.10 0.00 0.00 70.33 68.54 3f4n n THR 67 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3f4n s ARG 68 N 2.87 1.74 -0.15 -0.78 3.00 -1.25 -5.06 118.95 119.32 3f4n s ARG 68 Ca 0.00 -0.73 -0.13 0.00 0.00 0.00 0.00 55.73 54.87 3f4n s ARG 68 Cb 0.00 -1.64 -0.05 0.00 0.00 0.00 0.00 34.95 33.26 3f4n s ARG 68 CO 0.00 0.41 0.28 1.41 0.00 0.00 0.00 175.30 177.40 3f4n s MET 69 N -0.38 4.20 -0.22 3.54 -2.45 -1.26 -1.77 119.30 120.95 3f4n s MET 69 Ca 0.05 0.08 -0.02 0.00 -1.25 0.00 0.00 55.69 54.55 3f4n s MET 69 Cb -0.09 -3.41 0.01 0.00 1.25 0.00 0.00 34.83 32.60 3f4n s MET 69 CO -0.00 0.28 -0.08 1.21 1.05 0.00 0.00 175.02 177.48 3f4n s ASN 70 N 0.33 4.07 -0.45 1.11 2.47 0.27 -1.94 114.94 120.80 3f4n s ASN 70 Ca 0.16 -0.63 -0.15 0.00 0.42 0.00 0.00 52.86 52.66 3f4n s ASN 70 Cb -0.13 -1.66 0.06 0.00 -1.45 0.00 0.00 41.25 38.07 3f4n s ASN 70 CO 0.04 -0.06 0.35 -0.22 -3.72 0.00 0.00 177.10 173.49 3f4n s LEU 71 N 1.38 5.43 0.06 3.21 2.96 0.24 -1.43 118.68 130.52 3f4n s LEU 71 Ca 0.03 -1.24 -0.27 0.00 -0.22 0.00 0.00 54.13 52.44 3f4n s LEU 71 Cb -0.15 -2.15 -0.05 0.00 0.50 0.00 0.00 46.19 44.34 3f4n s LEU 71 CO -0.06 -0.58 0.83 -1.61 -1.32 0.00 0.00 176.35 173.61 3f4n s GLU 72 N 1.62 4.56 0.02 1.98 2.02 0.28 -1.25 118.70 127.94 3f4n s GLU 72 Ca 0.04 1.20 -0.23 0.00 0.02 0.00 0.00 54.97 56.00 3f4n s GLU 72 Cb -0.23 -3.37 0.05 0.00 0.10 0.00 0.00 34.13 30.68 3f4n s GLU 72 CO 0.07 0.25 0.52 0.00 0.02 0.00 0.00 175.26 176.12 3f4n s MET 73 N 0.00 1.00 0.67 1.61 0.23 -0.90 -2.20 119.30 119.71 3f4n s MET 73 Ca 0.42 -0.14 -0.16 0.00 -1.03 0.00 0.00 55.69 54.77 3f4n s MET 73 Cb -0.21 0.46 0.00 0.00 -1.53 0.00 0.00 34.83 33.55 3f4n s MET 73 CO 0.25 -0.34 1.17 0.00 -2.03 0.00 0.00 175.02 174.07 3f4n s ALA 74 N -2.09 2.35 -1.27 3.16 0.00 -1.26 -1.89 121.76 120.77 3f4n s ALA 74 Ca -0.07 0.81 -0.17 0.00 0.00 0.00 0.00 51.96 52.52 3f4n s ALA 74 Cb -0.01 -3.41 0.09 0.00 0.00 0.00 0.00 23.12 19.79 3f4n s ALA 74 CO 0.01 -1.47 1.67 0.08 0.00 0.00 0.00 175.76 176.05 3f4n s VAL 75 N -1.99 4.30 0.15 0.00 1.01 -1.26 -4.72 120.40 117.90 3f4n s VAL 75 Ca 0.73 -2.03 0.06 0.00 0.00 0.00 0.00 61.98 60.74 3f4n s VAL 75 Cb -0.27 -5.14 -0.04 0.00 0.00 0.00 0.00 36.38 30.94 3f4n s VAL 75 CO 0.40 -1.94 -0.13 0.42 0.00 0.00 0.00 175.10 173.84 3f4n s THR 76 N 3.71 1.42 0.18 3.92 -4.23 -1.26 -5.05 115.64 114.34 3f4n s THR 76 Ca 0.51 -1.94 -0.13 0.00 -1.18 0.00 0.00 61.69 58.95 3f4n s THR 76 Cb 0.02 -1.76 0.09 0.00 1.34 0.00 0.00 72.50 72.19 3f4n s THR 76 CO 0.06 -0.54 1.83 0.44 -0.54 0.00 0.00 174.62 175.87 3f4n h ASP 77 N 3.07 0.69 -0.89 3.99 3.32 -1.98 0.21 116.42 124.82 3f4n h ASP 77 Ca -0.39 -0.04 0.15 0.00 0.02 0.00 0.00 57.03 56.77 3f4n h ASP 77 Cb 1.20 -0.17 -0.09 0.00 0.22 0.00 0.00 39.33 40.48 3f4n h ASP 77 CO 0.57 0.52 0.48 -0.08 -1.72 0.00 0.00 179.24 179.01 3f4n h GLU 78 N 0.79 0.67 0.22 3.56 4.81 -1.97 -1.83 114.58 120.83 3f4n h GLU 78 Ca 0.21 -0.04 -0.34 0.00 -0.13 0.00 0.00 59.36 59.06 3f4n h GLU 78 Cb -0.06 -0.15 0.02 0.00 0.63 0.00 0.00 28.75 29.20 3f4n h GLU 78 CO -0.04 0.44 -1.59 0.52 -0.73 0.00 0.00 179.01 177.60 3f4n h MET 79 N 0.69 0.46 -0.71 1.92 2.86 -1.57 -2.69 114.93 115.89 3f4n h MET 79 Ca 0.48 -0.79 0.10 0.00 -2.06 0.00 0.00 59.70 57.43 3f4n h MET 79 Cb 0.67 0.29 -0.05 0.00 0.06 0.00 0.00 31.60 32.57 3f4n h MET 79 CO -0.35 1.38 0.47 0.28 1.06 0.00 0.00 176.91 179.74 3f4n h VAL 80 N 0.10 0.93 0.16 -2.22 2.07 -0.65 0.87 116.25 117.50 3f4n h VAL 80 Ca -0.30 -0.20 -0.01 0.00 0.82 0.00 0.00 66.70 67.01 3f4n h VAL 80 Cb 2.11 0.29 0.00 0.00 -1.52 0.00 0.00 31.29 32.17 3f4n h VAL 80 CO 0.22 0.11 -0.08 0.44 0.02 0.00 0.00 177.57 178.28 3f4n h ASP 81 N 0.59 -0.18 -0.19 0.57 3.32 -1.22 -0.54 116.42 118.78 3f4n h ASP 81 Ca 0.33 -0.15 0.04 0.00 0.02 0.00 0.00 57.03 57.27 3f4n h ASP 81 Cb 0.48 0.05 -0.04 0.00 0.22 0.00 0.00 39.33 40.04 3f4n h ASP 81 CO -0.11 0.05 -0.07 0.40 -1.72 0.00 0.00 179.24 177.79 3f4n h ILE 82 N -0.41 0.76 -0.73 0.35 2.04 -1.19 0.39 117.51 118.71 3f4n h ILE 82 Ca -0.02 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.92 3f4n h ILE 82 Cb 0.32 0.76 -0.06 0.00 -0.74 0.00 0.00 36.82 37.10 3f4n h ILE 82 CO 0.04 0.00 0.40 0.00 0.00 0.00 0.00 178.15 178.59 3f4n h ALA 83 N 1.14 1.01 0.00 1.87 0.00 -0.77 0.83 119.26 123.34 3f4n h ALA 83 Ca 0.10 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3f4n h ALA 83 Cb 0.18 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3f4n h ALA 83 CO -0.21 0.05 0.00 0.00 0.00 0.00 0.00 179.25 179.08 3f4n h ASP 85 N 0.00 0.00 0.16 0.00 3.58 0.11 -3.39 116.42 116.89 3f4n h ASP 85 Ca 0.00 -0.29 -0.03 0.00 0.42 0.00 0.00 57.03 57.13 3f4n h ASP 85 Cb 0.52 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.57 3f4n h ASP 85 CO 0.00 0.87 -0.15 0.40 -2.88 0.00 0.00 179.24 177.48 3f4n h ILE 86 N -1.00 1.07 -6.36 2.25 2.04 -0.93 -3.48 117.51 111.09 3f4n h ILE 86 Ca -0.07 -0.52 -0.40 0.00 1.00 0.00 0.00 64.86 64.87 3f4n h ILE 86 Cb 0.61 1.28 0.02 0.00 -0.74 0.00 0.00 36.82 38.00 3f4n h ILE 86 CO -0.04 0.15 -0.83 0.29 0.00 0.00 0.00 178.15 177.71 3f4n n LYS 87 N -4.31 -1.22 -1.40 2.37 5.02 0.59 -4.95 118.16 114.26 3f4n n LYS 87 Ca -0.03 0.71 -0.31 0.00 -2.02 0.00 0.00 58.31 56.67 3f4n n LYS 87 Cb 0.22 -3.51 0.08 0.00 -0.02 0.00 0.00 35.03 31.80 3f4n n LYS 87 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 3f4n s PRO 88 N -5.24 2.43 0.23 1.97 0.04 -1.26 -4.94 135.00 128.24 3f4n s PRO 88 Ca 0.21 1.02 -0.07 0.00 0.04 0.00 0.00 61.00 62.20 3f4n s PRO 88 Cb -0.09 -1.93 0.22 0.00 0.04 0.00 0.00 34.50 32.74 3f4n s PRO 88 CO 0.87 -1.48 1.88 0.45 0.04 0.00 0.00 177.00 178.76 3f4n h HIS 89 N -1.00 1.21 -4.07 0.56 3.86 -1.89 -3.43 115.15 110.39 3f4n h HIS 89 Ca -0.44 -0.01 -0.57 0.00 -1.16 0.00 0.00 60.37 58.19 3f4n h HIS 89 Cb 1.23 -0.40 -0.24 0.00 1.06 0.00 0.00 27.41 29.06 3f4n h HIS 89 CO 0.57 0.81 -0.84 -0.06 0.86 0.00 0.00 177.93 179.27 3f4n s PHE 90 N -5.95 1.81 0.06 2.45 0.40 -0.82 -2.08 117.98 113.85 3f4n s PHE 90 Ca -0.13 -0.39 0.09 0.00 -0.60 0.00 0.00 56.93 55.90 3f4n s PHE 90 Cb 0.17 -1.05 -0.03 0.00 0.51 0.00 0.00 43.02 42.62 3f4n s PHE 90 CO 0.82 0.14 -0.25 0.00 0.70 0.00 0.00 175.22 176.63 3f4n s LEU 93 N 1.76 4.31 0.05 0.00 1.02 0.79 -2.11 118.68 124.51 3f4n s LEU 93 Ca 0.03 0.92 0.01 0.00 0.02 0.00 0.00 54.13 55.11 3f4n s LEU 93 Cb -0.14 -2.76 -0.03 0.00 0.02 0.00 0.00 46.19 43.28 3f4n s LEU 93 CO -0.07 0.02 -0.05 0.68 0.02 0.00 0.00 176.35 176.95 3f4n s VAL 94 N 0.41 0.41 0.45 -1.59 -7.23 -0.79 -1.67 120.40 110.39 3f4n s VAL 94 Ca 0.28 -1.44 -0.13 0.00 -1.81 0.00 0.00 61.98 58.88 3f4n s VAL 94 Cb -0.16 -1.02 -0.07 0.00 0.56 0.00 0.00 36.38 35.69 3f4n s VAL 94 CO 0.12 -0.68 0.86 -2.16 -0.31 0.00 0.00 175.10 172.94 3f4n s PRO 95 N -2.68 3.86 0.00 4.82 0.04 -1.26 -4.02 135.00 135.75 3f4n s PRO 95 Ca -0.02 0.68 0.00 0.00 0.04 0.00 0.00 61.00 61.71 3f4n s PRO 95 Cb -0.02 -2.28 0.00 0.00 0.04 0.00 0.00 34.50 32.24 3f4n s PRO 95 CO -0.04 -0.13 0.00 0.39 0.04 0.00 0.00 177.00 177.26 3f4n n GLU 96 N -1.40 3.68 -4.15 4.56 1.02 -1.26 -4.93 120.64 118.17 3f4n n GLU 96 Ca 0.04 0.00 -0.31 0.00 -0.02 0.00 0.00 57.16 56.87 3f4n n GLU 96 Cb 0.54 -0.37 -0.08 0.00 -0.02 0.00 0.00 31.44 31.51 3f4n n GLU 96 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 3f4n s LYS 97 N -0.17 2.75 0.22 3.49 3.01 -1.26 -5.05 119.74 122.73 3f4n s LYS 97 Ca 0.00 -0.70 -0.10 0.00 -1.01 0.00 0.00 55.97 54.16 3f4n s LYS 97 Cb 0.00 -2.66 0.33 0.00 -1.01 0.00 0.00 37.83 34.49 3f4n s LYS 97 CO 0.00 0.58 1.33 0.54 0.51 0.00 0.00 175.35 178.31 3f4n n ARG 98 N 0.82 -0.12 0.22 1.68 1.74 -1.26 -1.82 116.66 117.92 3f4n n ARG 98 Ca -0.11 1.33 0.15 0.00 -0.77 0.00 0.00 57.85 58.44 3f4n n ARG 98 Cb 0.52 -1.98 0.53 0.00 -1.02 0.00 0.00 32.46 30.51 3f4n n ARG 98 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 3f4n h GLN 99 N 0.00 0.00 0.00 5.56 1.08 -2.02 -3.09 115.11 116.64 3f4n h GLN 99 Ca 0.37 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.57 3f4n h GLN 99 Cb 0.59 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.02 3f4n h GLN 99 CO -0.87 0.00 -0.85 -0.85 -0.95 0.00 0.00 178.83 175.31 3f4n n GLU 100 N -2.84 0.25 -3.95 1.46 0.28 -0.76 -4.94 120.64 110.15 3f4n n GLU 100 Ca 0.02 0.02 -0.32 0.00 -0.16 0.00 0.00 57.16 56.72 3f4n n GLU 100 Cb 0.34 -1.61 -0.05 0.00 1.43 0.00 0.00 31.44 31.55 3f4n n GLU 100 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 3f4n s VAL 101 N -3.16 5.25 0.77 3.84 0.11 -1.17 0.12 120.40 126.17 3f4n s VAL 101 Ca 0.05 -0.32 -0.10 0.00 -2.93 0.00 0.00 61.98 58.68 3f4n s VAL 101 Cb 0.14 -3.49 0.07 0.00 -1.53 0.00 0.00 36.38 31.58 3f4n s VAL 101 CO 0.77 0.25 1.12 0.42 -3.33 0.00 0.00 175.10 174.33 3f4n s THR 102 N -1.38 2.10 0.46 5.04 -4.23 -0.70 -4.78 115.64 112.16 3f4n s THR 102 Ca 0.30 -0.10 0.26 0.00 -1.18 0.00 0.00 61.69 60.97 3f4n s THR 102 Cb -0.13 -3.00 0.46 0.00 1.34 0.00 0.00 72.50 71.17 3f4n s THR 102 CO 0.22 0.00 1.79 0.74 -0.54 0.00 0.00 174.62 176.83 3f4n h THR 103 N -0.90 0.47 0.00 3.99 2.02 -1.97 -2.78 112.91 113.74 3f4n h THR 103 Ca -0.45 -0.07 -0.06 0.00 0.77 0.00 0.00 66.41 66.60 3f4n h THR 103 Cb 1.32 0.24 -0.01 0.00 -1.74 0.00 0.00 68.15 67.97 3f4n h THR 103 CO 0.63 0.04 -1.06 -0.08 0.37 0.00 0.00 175.52 175.42 3f4n h GLU 104 N 0.21 0.00 0.00 6.66 4.81 -2.03 -3.48 114.58 120.75 3f4n h GLU 104 Ca 0.57 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.80 3f4n h GLU 104 Cb 1.82 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.20 3f4n h GLU 104 CO -0.17 0.11 0.00 0.41 -0.73 0.00 0.00 179.01 178.63 3f4n n GLY 105 N 1.25 1.46 3.89 1.92 0.00 -1.05 -4.90 105.19 107.76 3f4n n GLY 105 Ca -0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.70 3f4n n GLY 105 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3f4n s GLY 106 N -2.01 1.62 0.14 -0.02 0.00 -1.26 -4.77 107.32 101.01 3f4n s GLY 106 Ca 0.00 -0.50 -0.30 0.00 0.00 0.00 0.00 44.72 43.92 3f4n s GLY 106 CO 0.00 -0.10 1.14 -2.27 0.00 0.00 0.00 173.10 171.87 3f4n s LEU 107 N -5.37 4.44 -1.25 0.66 2.96 -0.31 -1.71 118.68 118.10 3f4n s LEU 107 Ca 0.59 2.08 -0.18 0.00 -0.22 0.00 0.00 54.13 56.40 3f4n s LEU 107 Cb -0.11 -3.60 -0.00 0.00 0.50 0.00 0.00 46.19 42.98 3f4n s LEU 107 CO 0.50 -0.32 1.96 -0.67 -1.32 0.00 0.00 176.35 176.50 3f4n n ASP 108 N 2.89 3.90 -0.25 3.68 4.64 0.12 -4.74 116.55 126.79 3f4n n ASP 108 Ca 0.05 -2.82 -0.03 0.00 -1.38 0.00 0.00 54.79 50.61 3f4n n ASP 108 Cb 0.46 -1.61 0.08 0.00 -1.04 0.00 0.00 41.12 39.01 3f4n n ASP 108 CO 0.00 0.00 0.00 0.58 -0.82 0.00 0.00 177.20 176.96 3f4n h VAL 109 N 4.96 1.07 -0.02 5.18 2.07 -1.90 -3.18 116.25 124.43 3f4n h VAL 109 Ca 0.45 -0.28 -0.15 0.00 0.82 0.00 0.00 66.70 67.54 3f4n h VAL 109 Cb 0.77 0.17 -0.02 0.00 -1.52 0.00 0.00 31.29 30.70 3f4n h VAL 109 CO 1.65 0.15 -0.68 0.00 0.02 0.00 0.00 177.57 178.71 3f4n h ALA 110 N 1.31 0.83 0.00 1.67 0.00 -1.87 -2.41 119.26 118.79 3f4n h ALA 110 Ca 0.29 -0.60 0.00 0.00 0.00 0.00 0.00 54.91 54.59 3f4n h ALA 110 Cb 0.06 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.75 3f4n h ALA 110 CO -0.12 0.81 0.00 0.78 0.00 0.00 0.00 179.25 180.72 3f4n h GLY 111 N 1.81 0.00 -5.18 0.00 0.00 -1.96 -3.34 103.07 94.41 3f4n h GLY 111 Ca -0.01 0.00 -0.31 0.00 0.00 0.00 0.00 47.33 47.01 3f4n h GLY 111 CO 0.10 0.00 -1.15 0.61 0.00 0.00 0.00 176.54 176.09 3f4n n GLN 112 N -2.43 1.47 -0.26 4.80 10.64 -1.02 -4.99 117.38 125.58 3f4n n GLN 112 Ca 0.02 -3.40 0.07 0.00 -1.83 0.00 0.00 57.00 51.87 3f4n n GLN 112 Cb 0.26 -1.44 0.21 0.00 -0.86 0.00 0.00 30.24 28.41 3f4n n GLN 112 CO 0.00 0.00 0.00 0.28 -1.83 0.00 0.00 177.06 175.51 3f4n h VAL 113 N 4.21 0.48 -0.26 -0.39 2.07 -1.57 -2.00 116.25 118.78 3f4n h VAL 113 Ca -0.11 -0.09 -0.14 0.00 0.82 0.00 0.00 66.70 67.18 3f4n h VAL 113 Cb 1.22 0.18 -0.00 0.00 -1.52 0.00 0.00 31.29 31.17 3f4n h VAL 113 CO 0.36 0.05 -0.39 0.44 0.02 0.00 0.00 177.57 178.05 3f4n h ASP 114 N 0.28 0.79 -0.95 0.57 5.19 -1.94 -0.75 116.42 119.61 3f4n h ASP 114 Ca 0.45 -0.51 0.03 0.00 -0.62 0.00 0.00 57.03 56.37 3f4n h ASP 114 Cb 0.79 -0.22 -0.05 0.00 0.18 0.00 0.00 39.33 40.02 3f4n h ASP 114 CO -0.53 1.15 0.62 0.50 -3.12 0.00 0.00 179.24 177.85 3f4n h LYS 115 N 0.45 1.19 0.76 3.56 3.64 -1.83 -2.78 116.57 121.56 3f4n h LYS 115 Ca 0.03 -0.07 -0.04 0.00 -1.27 0.00 0.00 60.65 59.30 3f4n h LYS 115 Cb 0.98 -0.27 0.01 0.00 -0.41 0.00 0.00 32.23 32.54 3f4n h LYS 115 CO 0.09 0.79 -0.36 0.52 -2.27 0.00 0.00 179.45 178.21 3f4n h MET 116 N 1.22 -0.98 -1.28 1.90 2.86 -1.07 -2.13 114.93 115.45 3f4n h MET 116 Ca 0.37 0.07 0.44 0.00 -2.06 0.00 0.00 59.70 58.52 3f4n h MET 116 Cb -0.05 0.22 -0.14 0.00 0.06 0.00 0.00 31.60 31.69 3f4n h MET 116 CO -0.11 -0.65 0.80 1.15 1.06 0.00 0.00 176.91 179.16 3f4n h THR 117 N -1.27 0.06 0.12 2.22 2.02 -1.17 0.20 112.91 115.09 3f4n h THR 117 Ca -0.10 -0.02 -0.25 0.00 0.77 0.00 0.00 66.41 66.81 3f4n h THR 117 Cb 0.78 0.01 0.00 0.00 -1.74 0.00 0.00 68.15 67.20 3f4n h THR 117 CO 0.17 0.01 -1.24 -0.07 0.37 0.00 0.00 175.52 174.76 3f4n h LEU 118 N 0.05 0.41 0.03 2.58 3.38 -1.34 -1.06 115.31 119.35 3f4n h LEU 118 Ca 0.85 -0.88 0.03 0.00 0.09 0.00 0.00 57.88 57.97 3f4n h LEU 118 Cb 2.58 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 43.16 3f4n h LEU 118 CO -0.51 1.55 -0.23 0.00 0.09 0.00 0.00 178.44 179.35 3f4n h ALA 119 N -0.01 -0.32 -0.29 1.53 0.00 -0.71 -1.63 119.26 117.83 3f4n h ALA 119 Ca -0.26 -0.01 0.07 0.00 0.00 0.00 0.00 54.91 54.71 3f4n h ALA 119 Cb 1.73 0.40 -0.08 0.00 0.00 0.00 0.00 17.79 19.84 3f4n h ALA 119 CO 0.09 -0.74 -0.30 0.28 0.00 0.00 0.00 179.25 178.58 3f4n h VAL 120 N -0.38 0.28 -0.77 0.00 2.07 -0.69 -1.58 116.25 115.19 3f4n h VAL 120 Ca 0.05 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.75 3f4n h VAL 120 Cb 0.44 0.28 -0.12 0.00 -1.52 0.00 0.00 31.29 30.37 3f4n h VAL 120 CO -0.19 0.00 0.13 1.23 0.02 0.00 0.00 177.57 178.76 3f4n h GLY 121 N -0.29 1.03 1.15 2.17 0.00 -0.74 0.18 103.07 106.56 3f4n h GLY 121 Ca 0.14 0.01 -0.16 0.00 0.00 0.00 0.00 47.33 47.33 3f4n h GLY 121 CO -0.45 -0.26 -0.36 3.21 0.00 0.00 0.00 176.54 178.67 3f4n h ARG 122 N 0.20 0.94 0.17 4.80 3.08 -0.37 -1.35 114.38 121.84 3f4n h ARG 122 Ca 0.44 -0.48 -0.01 0.00 0.07 0.00 0.00 59.98 60.00 3f4n h ARG 122 Cb 0.80 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.86 3f4n h ARG 122 CO -0.59 1.14 -0.08 -0.07 -1.07 0.00 0.00 179.97 179.30 3f4n h LEU 123 N 0.77 -0.19 -0.61 3.04 3.38 -0.53 -3.25 115.31 117.92 3f4n h LEU 123 Ca 0.07 -0.21 0.07 0.00 0.09 0.00 0.00 57.88 57.89 3f4n h LEU 123 Cb 0.95 0.05 -0.06 0.00 0.09 0.00 0.00 40.66 41.70 3f4n h LEU 123 CO 0.09 0.12 0.30 0.00 0.09 0.00 0.00 178.44 179.04 3f4n h ALA 124 N 0.27 0.80 0.00 1.53 0.00 -0.70 -2.14 119.26 119.03 3f4n h ALA 124 Ca -0.02 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3f4n h ALA 124 Cb 0.39 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.12 3f4n h ALA 124 CO 0.04 -0.06 0.26 -0.44 0.00 0.00 0.00 179.25 179.05 3f4n h ASP 125 N 0.56 0.00 -0.30 0.00 5.19 -1.28 0.21 116.42 120.80 3f4n h ASP 125 Ca 0.28 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.69 3f4n h ASP 125 Cb 0.23 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.74 3f4n h ASP 125 CO -0.21 0.00 0.00 0.52 -3.12 0.00 0.00 179.24 176.43 3f4n n VAL 126 N -2.75 1.46 -0.56 -1.35 0.31 -0.92 -4.96 118.33 109.57 3f4n n VAL 126 Ca -0.02 -1.32 0.00 0.00 -0.01 0.00 0.00 64.34 62.99 3f4n n VAL 126 Cb 0.31 0.23 0.00 0.00 -0.91 0.00 0.00 33.84 33.47 3f4n n VAL 126 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3f4n n GLY 127 N 0.09 0.84 3.78 2.92 0.00 0.73 -5.01 105.19 108.55 3f4n n GLY 127 Ca 0.15 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.80 3f4n n GLY 127 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3f4n s ILE 128 N -3.15 3.66 -0.21 -0.61 1.01 -0.85 -4.94 121.20 116.10 3f4n s ILE 128 Ca 0.00 1.31 -0.09 0.00 0.00 0.00 0.00 60.65 61.87 3f4n s ILE 128 Cb 0.00 -3.70 -0.04 0.00 0.01 0.00 0.00 42.46 38.73 3f4n s ILE 128 CO 0.00 0.05 0.11 -0.76 0.00 0.00 0.00 174.94 174.33 3f4n s LEU 129 N -2.53 3.92 -0.15 2.97 1.43 -0.88 -3.85 118.68 119.59 3f4n s LEU 129 Ca 0.57 0.07 -0.06 0.00 -1.03 0.00 0.00 54.13 53.68 3f4n s LEU 129 Cb -0.24 -2.02 -0.04 0.00 0.03 0.00 0.00 46.19 43.92 3f4n s LEU 129 CO 0.30 0.11 0.04 -0.69 0.23 0.00 0.00 176.35 176.34 3f4n s VAL 130 N 0.78 4.64 0.03 -1.59 1.01 -1.26 -1.80 120.40 122.21 3f4n s VAL 130 Ca 0.06 -0.10 0.08 0.00 0.00 0.00 0.00 61.98 62.02 3f4n s VAL 130 Cb -0.13 -3.05 -0.03 0.00 0.00 0.00 0.00 36.38 33.17 3f4n s VAL 130 CO 0.02 0.51 -0.24 -0.55 0.00 0.00 0.00 175.10 174.84 3f4n s SER 131 N 0.00 3.30 -0.16 3.32 0.15 0.19 -2.05 113.70 118.46 3f4n s SER 131 Ca 0.05 -0.52 0.00 0.00 0.70 0.00 0.00 55.95 56.18 3f4n s SER 131 Cb -0.12 -0.38 -0.00 0.00 -1.71 0.00 0.00 66.02 63.80 3f4n s SER 131 CO 0.01 0.27 -0.15 -0.76 1.20 0.00 0.00 173.24 173.82 3f4n s LEU 132 N -1.15 2.52 -0.59 3.45 1.43 -1.00 -0.15 118.68 123.19 3f4n s LEU 132 Ca 0.12 -0.45 -0.28 0.00 -1.03 0.00 0.00 54.13 52.49 3f4n s LEU 132 Cb -0.10 -1.58 0.03 0.00 0.03 0.00 0.00 46.19 44.57 3f4n s LEU 132 CO 0.02 0.09 1.20 0.12 0.23 0.00 0.00 176.35 178.01 3f4n s PHE 133 N 0.80 2.59 0.33 0.29 5.99 -0.67 -1.64 117.98 125.67 3f4n s PHE 133 Ca -0.05 0.40 0.06 0.00 0.00 0.00 0.00 56.93 57.34 3f4n s PHE 133 Cb -0.15 -4.52 -0.07 0.00 0.00 0.00 0.00 43.02 38.28 3f4n s PHE 133 CO 0.00 -1.61 -0.00 0.96 -0.00 0.00 0.00 175.22 174.57 3f4n s ILE 134 N 5.01 1.59 0.78 3.12 -4.36 0.59 -1.16 121.20 126.76 3f4n s ILE 134 Ca 0.43 -2.05 -0.11 0.00 -0.26 0.00 0.00 60.65 58.65 3f4n s ILE 134 Cb -0.07 -2.72 0.06 0.00 1.25 0.00 0.00 42.46 40.97 3f4n s ILE 134 CO 0.25 -0.11 1.09 -1.81 0.24 0.00 0.00 174.94 174.60 3f4n s ASP 135 N -3.53 4.66 -1.11 4.36 1.01 -1.26 -1.12 116.67 119.68 3f4n s ASP 135 Ca 0.34 1.34 -0.21 0.00 0.71 0.00 0.00 52.55 54.72 3f4n s ASP 135 Cb 0.07 -2.10 0.06 0.00 1.01 0.00 0.00 42.92 41.96 3f4n s ASP 135 CO 0.15 -1.86 1.54 0.00 0.21 0.00 0.00 175.17 175.21 3f4n s ALA 136 N -3.15 2.94 -0.20 5.23 0.00 -1.26 -4.80 121.76 120.52 3f4n s ALA 136 Ca 0.60 -2.50 -0.07 0.00 0.00 0.00 0.00 51.96 49.99 3f4n s ALA 136 Cb -0.14 -4.56 0.09 0.00 0.00 0.00 0.00 23.12 18.51 3f4n s ALA 136 CO 0.54 -3.49 0.43 0.34 0.00 0.00 0.00 175.76 173.58 3f4n s ASP 137 N 4.68 -0.30 0.41 0.00 -1.08 -1.26 -4.88 116.67 114.23 3f4n s ASP 137 Ca 0.48 1.01 0.10 0.00 -0.52 0.00 0.00 52.55 53.63 3f4n s ASP 137 Cb 0.01 1.36 0.85 0.00 -1.46 0.00 0.00 42.92 43.69 3f4n s ASP 137 CO -0.04 -0.23 1.97 -0.26 0.52 0.00 0.00 175.17 177.13 3f4n h PHE 138 N 8.11 0.28 -0.43 -5.34 0.04 -1.97 -1.60 116.94 116.03 3f4n h PHE 138 Ca -0.17 -0.02 -0.14 0.00 2.80 0.00 0.00 57.97 60.44 3f4n h PHE 138 Cb 1.11 -0.08 -0.01 0.00 2.20 0.00 0.00 35.95 39.17 3f4n h PHE 138 CO 0.28 0.32 -0.29 -0.09 -0.60 0.00 0.00 178.31 177.93 3f4n h ARG 139 N 0.27 0.94 0.00 1.51 2.43 -1.97 -2.41 114.38 115.15 3f4n h ARG 139 Ca 0.06 -0.44 -0.13 0.00 -0.81 0.00 0.00 59.98 58.66 3f4n h ARG 139 Cb 0.24 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.76 3f4n h ARG 139 CO 0.01 1.10 -0.64 1.96 -1.51 0.00 0.00 179.97 180.89 3f4n h GLN 140 N 0.80 0.00 -0.52 0.20 1.08 -1.79 -2.35 115.11 112.52 3f4n h GLN 140 Ca 0.09 0.00 -0.07 0.00 -1.45 0.00 0.00 58.65 57.22 3f4n h GLN 140 Cb 0.87 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.28 3f4n h GLN 140 CO 0.08 0.64 0.07 0.82 -0.95 0.00 0.00 178.83 179.49 3f4n h ILE 141 N 0.00 1.26 -0.40 2.54 2.04 -1.25 -2.62 117.51 119.07 3f4n h ILE 141 Ca -0.01 -0.98 -0.05 0.00 1.00 0.00 0.00 64.86 64.82 3f4n h ILE 141 Cb 1.14 0.87 -0.02 0.00 -0.74 0.00 0.00 36.82 38.08 3f4n h ILE 141 CO 0.08 0.35 0.05 0.44 0.00 0.00 0.00 178.15 179.07 3f4n h ASP 142 N 0.76 0.66 -0.72 1.72 3.32 -1.25 -2.46 116.42 118.44 3f4n h ASP 142 Ca 0.16 -0.27 0.13 0.00 0.02 0.00 0.00 57.03 57.06 3f4n h ASP 142 Cb 0.43 -0.18 -0.09 0.00 0.22 0.00 0.00 39.33 39.72 3f4n h ASP 142 CO 0.01 0.77 0.28 0.00 -1.72 0.00 0.00 179.24 178.58 3f4n h ALA 143 N 0.91 0.98 -0.46 3.45 0.00 -1.35 -1.71 119.26 121.09 3f4n h ALA 143 Ca 0.12 0.11 -0.10 0.00 0.00 0.00 0.00 54.91 55.04 3f4n h ALA 143 Cb 0.40 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 3f4n h ALA 143 CO 0.01 -0.20 -0.12 0.00 0.00 0.00 0.00 179.25 178.94 3f4n h ALA 144 N 1.51 0.92 0.46 0.00 0.00 -1.08 0.33 119.26 121.41 3f4n h ALA 144 Ca 0.38 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 3f4n h ALA 144 Cb 0.56 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.17 3f4n h ALA 144 CO -0.38 0.62 -0.24 0.28 0.00 0.00 0.00 179.25 179.53 3f4n h VAL 145 N 0.76 0.50 -0.12 0.00 2.07 -0.99 -1.68 116.25 116.79 3f4n h VAL 145 Ca 0.12 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.68 3f4n h VAL 145 Cb 0.63 0.50 -0.00 0.00 -1.52 0.00 0.00 31.29 30.89 3f4n h VAL 145 CO 0.04 0.00 0.09 0.00 0.02 0.00 0.00 177.57 177.72 3f4n h ALA 146 N -0.12 2.11 0.00 1.67 0.00 -1.06 0.23 119.26 122.09 3f4n h ALA 146 Ca -0.06 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3f4n h ALA 146 Cb 0.51 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.31 3f4n h ALA 146 CO 0.08 -0.15 0.00 0.00 0.00 0.00 0.00 179.25 179.19 3f4n h ALA 147 N 1.94 1.00 0.00 0.00 0.00 0.09 -3.47 119.26 118.82 3f4n h ALA 147 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3f4n h ALA 147 Cb 0.23 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3f4n h ALA 147 CO -0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 3f4n n GLY 148 N -0.16 0.67 3.66 0.00 0.00 0.82 -4.26 105.19 105.91 3f4n n GLY 148 Ca 0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.60 3f4n n GLY 148 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3f4n s ALA 149 N -2.48 3.64 0.32 4.61 0.00 -0.70 -4.90 121.76 122.23 3f4n s ALA 149 Ca 0.00 0.75 0.30 0.00 0.00 0.00 0.00 51.96 53.02 3f4n s ALA 149 Cb 0.00 -3.70 1.45 0.00 0.00 0.00 0.00 23.12 20.87 3f4n s ALA 149 CO 0.00 -1.31 2.04 -1.00 0.00 0.00 0.00 175.76 175.49 3f4n h PRO 150 N 9.03 0.00 -5.50 0.00 0.13 -1.87 -3.42 132.00 130.37 3f4n h PRO 150 Ca -0.34 0.00 -0.45 0.00 -0.87 0.00 0.00 66.00 64.33 3f4n h PRO 150 Cb 1.15 0.00 -0.23 0.00 0.13 0.00 0.00 31.00 32.05 3f4n h PRO 150 CO 0.96 0.10 -0.79 0.71 -0.23 0.00 0.00 178.00 178.75 3f4n s TYR 151 N -3.96 1.34 0.25 1.56 2.02 -0.87 -1.95 117.35 115.74 3f4n s TYR 151 Ca -0.02 -0.42 0.06 0.00 -0.37 0.00 0.00 57.07 56.32 3f4n s TYR 151 Cb 0.12 -0.76 -0.05 0.00 -0.40 0.00 0.00 41.96 40.86 3f4n s TYR 151 CO 0.56 0.08 -0.05 0.96 -1.57 0.00 0.00 175.55 175.53 3f4n s ILE 152 N -1.10 1.43 -0.09 2.71 -4.36 -0.78 -2.38 121.20 116.62 3f4n s ILE 152 Ca 0.01 -2.10 -0.00 0.00 -0.26 0.00 0.00 60.65 58.30 3f4n s ILE 152 Cb -0.09 -2.37 0.02 0.00 1.25 0.00 0.00 42.46 41.27 3f4n s ILE 152 CO 0.02 -0.34 -0.06 -0.70 0.24 0.00 0.00 174.94 174.10 3f4n s GLU 153 N -3.77 1.29 -0.07 0.37 2.12 -0.65 -0.16 118.70 117.83 3f4n s GLU 153 Ca 0.28 -0.18 -0.18 0.00 0.36 0.00 0.00 54.97 55.25 3f4n s GLU 153 Cb 0.04 -1.38 -0.05 0.00 0.26 0.00 0.00 34.13 33.00 3f4n s GLU 153 CO 0.10 -0.23 0.49 0.42 -0.54 0.00 0.00 175.26 175.50 3f4n s ILE 154 N 1.60 5.09 -0.39 -3.70 1.01 0.84 -0.30 121.20 125.36 3f4n s ILE 154 Ca 0.02 0.99 -0.29 0.00 0.00 0.00 0.00 60.65 61.37 3f4n s ILE 154 Cb -0.13 -3.82 0.00 0.00 0.01 0.00 0.00 42.46 38.53 3f4n s ILE 154 CO -0.06 0.40 1.47 -2.28 0.00 0.00 0.00 174.94 174.47 3f4n s HIS 155 N 0.10 2.31 -1.06 3.97 5.65 -0.27 -1.89 115.29 124.10 3f4n s HIS 155 Ca 0.26 0.67 0.07 0.00 0.25 0.00 0.00 55.06 56.32 3f4n s HIS 155 Cb -0.16 -4.25 0.34 0.00 -1.18 0.00 0.00 32.58 27.33 3f4n s HIS 155 CO 0.12 -2.15 1.11 0.25 -0.65 0.00 0.00 174.74 173.41 3f4n n THR 156 N 7.06 0.99 0.42 0.89 -2.24 -0.41 -4.57 114.28 116.42 3f4n n THR 156 Ca 0.17 -0.56 -0.18 0.00 -2.27 0.00 0.00 64.05 61.21 3f4n n THR 156 Cb 0.48 -0.22 -0.09 0.00 -2.10 0.00 0.00 70.33 68.40 3f4n n THR 156 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 3f4n h GLY 157 N 4.78 -1.13 0.05 3.38 0.00 -1.80 0.58 103.07 108.93 3f4n h GLY 157 Ca 0.00 0.42 0.16 0.00 0.00 0.00 0.00 47.33 47.91 3f4n h GLY 157 CO 0.15 -0.41 0.32 0.00 0.00 0.00 0.00 176.54 176.60 3f4n h ALA 158 N -1.08 1.15 -0.89 3.60 0.00 -1.91 0.19 119.26 120.33 3f4n h ALA 158 Ca -0.11 0.13 0.03 0.00 0.00 0.00 0.00 54.91 54.96 3f4n h ALA 158 Cb 0.84 0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.69 3f4n h ALA 158 CO 0.18 -0.24 0.58 -0.92 0.00 0.00 0.00 179.25 178.85 3f4n h TYR 159 N 0.43 1.09 -0.23 0.00 5.03 -1.79 -2.56 116.97 118.94 3f4n h TYR 159 Ca 0.45 0.03 -0.11 0.00 2.58 0.00 0.00 58.73 61.67 3f4n h TYR 159 Cb 0.74 -0.36 -0.01 0.00 1.55 0.00 0.00 36.73 38.64 3f4n h TYR 159 CO -0.16 0.64 -0.34 0.00 -1.32 0.00 0.00 178.16 176.98 3f4n h ALA 160 N 1.36 0.98 0.00 1.82 0.00 0.17 -3.34 119.26 120.24 3f4n h ALA 160 Ca 0.35 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3f4n h ALA 160 Cb -0.03 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.64 3f4n h ALA 160 CO -0.11 0.61 -1.07 -0.25 0.00 0.00 0.00 179.25 178.43 3f4n n ASP 161 N -4.06 0.61 -4.59 0.00 8.00 -0.22 -4.95 116.55 111.33 3f4n n ASP 161 Ca -0.01 -0.24 -0.66 0.00 0.71 0.00 0.00 54.79 54.59 3f4n n ASP 161 Cb 0.47 0.86 -0.10 0.00 -0.02 0.00 0.00 41.12 42.33 3f4n n ASP 161 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3f4n n ALA 162 N -1.83 -1.33 0.06 2.24 0.00 -0.98 -4.88 120.51 113.80 3f4n n ALA 162 Ca 0.02 0.48 -0.06 0.00 0.00 0.00 0.00 53.44 53.88 3f4n n ALA 162 Cb 0.44 -1.86 0.10 0.00 0.00 0.00 0.00 19.45 18.13 3f4n n ALA 162 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3f4n h SER 163 N 4.82 0.38 -3.19 0.00 4.64 -1.92 -3.46 113.55 114.83 3f4n h SER 163 Ca -0.43 -0.21 -0.46 0.00 -0.47 0.00 0.00 61.79 60.22 3f4n h SER 163 Cb 1.32 -0.11 -0.14 0.00 -0.31 0.00 0.00 62.40 63.16 3f4n h SER 163 CO 0.95 0.88 -0.69 0.42 -0.87 0.00 0.00 176.83 177.52 3f4n s THR 164 N -3.84 1.55 0.25 2.95 -4.23 -1.26 -5.06 115.64 105.99 3f4n s THR 164 Ca -0.05 -2.13 -0.05 0.00 -1.18 0.00 0.00 61.69 58.28 3f4n s THR 164 Cb 0.12 -2.31 0.24 0.00 1.34 0.00 0.00 72.50 71.88 3f4n s THR 164 CO 0.81 -0.39 1.89 0.58 -0.54 0.00 0.00 174.62 176.96 3f4n h VAL 165 N 2.40 1.14 -0.08 2.29 2.07 -2.00 -1.63 116.25 120.44 3f4n h VAL 165 Ca -0.39 -0.40 -0.03 0.00 0.82 0.00 0.00 66.70 66.71 3f4n h VAL 165 Cb 1.23 -0.11 -0.00 0.00 -1.52 0.00 0.00 31.29 30.88 3f4n h VAL 165 CO 0.65 0.21 -0.06 0.25 0.02 0.00 0.00 177.57 178.64 3f4n h LEU 166 N 1.15 0.19 -0.28 2.57 6.46 -1.99 -2.65 115.31 120.75 3f4n h LEU 166 Ca 0.38 -0.46 0.06 0.00 -0.12 0.00 0.00 57.88 57.74 3f4n h LEU 166 Cb 0.03 -0.05 -0.06 0.00 -0.73 0.00 0.00 40.66 39.85 3f4n h LEU 166 CO -0.13 0.61 -0.09 -0.08 -0.62 0.00 0.00 178.44 178.13 3f4n h GLU 167 N -0.23 -0.03 -0.19 1.25 4.81 -1.96 -1.25 114.58 116.98 3f4n h GLU 167 Ca 0.01 0.00 0.05 0.00 -0.13 0.00 0.00 59.36 59.29 3f4n h GLU 167 Cb 0.55 0.01 -0.05 0.00 0.63 0.00 0.00 28.75 29.89 3f4n h GLU 167 CO 0.02 -0.02 -0.11 -0.09 -0.73 0.00 0.00 179.01 178.07 3f4n h ARG 168 N -0.03 -0.10 -0.39 1.92 2.43 -1.34 -1.41 114.38 115.46 3f4n h ARG 168 Ca 0.14 0.01 0.08 0.00 -0.81 0.00 0.00 59.98 59.40 3f4n h ARG 168 Cb 0.25 0.02 -0.07 0.00 -0.42 0.00 0.00 29.97 29.74 3f4n h ARG 168 CO -0.31 -0.07 -0.10 0.37 -1.51 0.00 0.00 179.97 178.36 3f4n h GLN 169 N -0.10 0.00 0.34 0.20 5.75 -1.21 -0.77 115.11 119.32 3f4n h GLN 169 Ca 0.11 -0.00 -0.02 0.00 -0.15 0.00 0.00 58.65 58.59 3f4n h GLN 169 Cb 0.27 -0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.82 3f4n h GLN 169 CO -0.26 0.00 -0.16 0.00 -2.65 0.00 0.00 178.83 175.76 3f4n h ALA 170 N 1.39 -0.45 -0.63 3.38 0.00 -0.83 -0.72 119.26 121.40 3f4n h ALA 170 Ca 0.19 -0.14 0.11 0.00 0.00 0.00 0.00 54.91 55.06 3f4n h ALA 170 Cb 0.29 0.17 -0.08 0.00 0.00 0.00 0.00 17.79 18.17 3f4n h ALA 170 CO -0.40 -0.69 0.22 0.93 0.00 0.00 0.00 179.25 179.31 3f4n h GLU 171 N -0.59 0.37 -0.38 0.00 4.39 -1.23 0.24 114.58 117.40 3f4n h GLU 171 Ca -0.05 -0.02 0.05 0.00 0.34 0.00 0.00 59.36 59.68 3f4n h GLU 171 Cb 0.43 -0.08 -0.05 0.00 -0.10 0.00 0.00 28.75 28.95 3f4n h GLU 171 CO 0.08 0.25 0.10 1.25 -1.16 0.00 0.00 179.01 179.52 3f4n h LEU 172 N 0.38 0.06 -1.27 1.33 5.85 -1.04 -1.15 115.31 119.47 3f4n h LEU 172 Ca 0.33 0.06 -0.07 0.00 0.84 0.00 0.00 57.88 59.03 3f4n h LEU 172 Cb 0.44 0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.52 3f4n h LEU 172 CO -0.34 0.07 -0.24 -0.03 -0.34 0.00 0.00 178.44 177.55 3f4n h MET 173 N 0.23 0.19 -0.07 1.25 4.05 -0.10 0.18 114.93 120.67 3f4n h MET 173 Ca 0.18 -0.06 -0.00 0.00 -0.28 0.00 0.00 59.70 59.53 3f4n h MET 173 Cb 0.19 -0.02 -0.00 0.00 -0.80 0.00 0.00 31.60 30.97 3f4n h MET 173 CO -0.21 0.43 0.02 0.00 0.23 0.00 0.00 176.91 177.38 3f4n h ARG 174 N 0.17 0.10 -0.42 0.39 3.08 0.10 -0.93 114.38 116.87 3f4n h ARG 174 Ca 0.03 -0.02 0.02 0.00 0.07 0.00 0.00 59.98 60.08 3f4n h ARG 174 Cb 0.53 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.54 3f4n h ARG 174 CO 0.04 0.24 0.25 0.82 -1.07 0.00 0.00 179.97 180.25 3f4n h ILE 175 N -0.07 1.05 -0.10 2.04 2.04 -1.08 -1.76 117.51 119.62 3f4n h ILE 175 Ca 0.02 -0.17 0.04 0.00 1.00 0.00 0.00 64.86 65.74 3f4n h ILE 175 Cb 0.18 0.49 -0.04 0.00 -0.74 0.00 0.00 36.82 36.72 3f4n h ILE 175 CO -0.00 0.09 -0.14 0.00 0.00 0.00 0.00 178.15 178.10 3f4n h ALA 176 N 1.19 -0.08 -0.60 1.87 0.00 -0.70 0.14 119.26 121.07 3f4n h ALA 176 Ca 0.17 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 3f4n h ALA 176 Cb 0.01 0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 3f4n h ALA 176 CO -0.08 -0.60 0.34 0.87 0.00 0.00 0.00 179.25 179.78 3f4n h LYS 177 N -0.19 0.83 -0.43 0.00 1.57 -1.14 -1.49 116.57 115.72 3f4n h LYS 177 Ca 0.08 -0.09 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 3f4n h LYS 177 Cb 0.31 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.43 3f4n h LYS 177 CO -0.21 0.62 0.20 0.00 -0.57 0.00 0.00 179.45 179.49 3f4n h ALA 178 N 1.17 0.55 -0.37 3.86 0.00 -0.80 -0.28 119.26 123.39 3f4n h ALA 178 Ca 0.21 -0.11 0.05 0.00 0.00 0.00 0.00 54.91 55.05 3f4n h ALA 178 Cb 0.02 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.60 3f4n h ALA 178 CO -0.04 0.12 0.13 0.00 0.00 0.00 0.00 179.25 179.46 3f4n h ALA 179 N 1.05 0.43 -0.57 0.00 0.00 -0.54 0.82 119.26 120.45 3f4n h ALA 179 Ca 0.15 0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.13 3f4n h ALA 179 Cb 0.13 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 3f4n h ALA 179 CO -0.02 -0.27 0.35 1.15 0.00 0.00 0.00 179.25 180.46 3f4n h THR 180 N 0.28 1.07 0.08 0.00 2.02 -0.97 -2.17 112.91 113.23 3f4n h THR 180 Ca 0.17 -0.24 -0.00 0.00 0.77 0.00 0.00 66.41 67.11 3f4n h THR 180 Cb 0.15 0.32 0.00 0.00 -1.74 0.00 0.00 68.15 66.89 3f4n h THR 180 CO -0.18 0.13 -0.04 0.22 0.37 0.00 0.00 175.52 176.01 3f4n h TYR 181 N 0.69 -0.10 -0.47 3.16 3.20 -0.77 -1.35 116.97 121.32 3f4n h TYR 181 Ca 0.23 -0.00 0.08 0.00 3.14 0.00 0.00 58.73 62.18 3f4n h TYR 181 Cb 0.01 0.03 -0.07 0.00 1.54 0.00 0.00 36.73 38.25 3f4n h TYR 181 CO -0.06 0.19 0.06 0.00 -1.64 0.00 0.00 178.16 176.72 3f4n h ALA 182 N 0.48 0.49 -0.35 1.82 0.00 -0.71 -1.17 119.26 119.82 3f4n h ALA 182 Ca -0.01 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 3f4n h ALA 182 Cb 0.35 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 3f4n h ALA 182 CO 0.02 -0.34 0.20 0.00 0.00 0.00 0.00 179.25 179.12 3f4n h ALA 183 N 1.38 0.45 -0.74 0.00 0.00 -1.43 -0.28 119.26 118.64 3f4n h ALA 183 Ca 0.24 -0.07 0.10 0.00 0.00 0.00 0.00 54.91 55.18 3f4n h ALA 183 Cb 0.33 -0.14 -0.12 0.00 0.00 0.00 0.00 17.79 17.86 3f4n h ALA 183 CO -0.34 -0.03 -0.46 0.78 0.00 0.00 0.00 179.25 179.20 3f4n h GLY 184 N 0.45 -0.45 -0.52 0.00 0.00 -0.07 0.47 103.07 102.94 3f4n h GLY 184 Ca 0.12 0.61 0.00 0.00 0.00 0.00 0.00 47.33 48.07 3f4n h GLY 184 CO -0.02 -0.12 0.00 0.28 0.00 0.00 0.00 176.54 176.67 3f4n n LYS 185 N -5.39 0.66 -0.89 4.80 5.02 -0.71 -4.80 118.16 116.86 3f4n n LYS 185 Ca 0.03 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.32 3f4n n LYS 185 Cb 0.34 -1.17 0.00 0.00 -0.02 0.00 0.00 35.03 34.18 3f4n n LYS 185 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3f4n n GLY 186 N 0.16 0.63 3.78 0.72 0.00 0.16 -5.04 105.19 105.61 3f4n n GLY 186 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 3f4n n GLY 186 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3f4n s LEU 187 N 0.00 4.34 0.14 0.99 1.43 -0.14 -4.96 118.68 120.48 3f4n s LEU 187 Ca 0.00 1.91 -0.25 0.00 -1.03 0.00 0.00 54.13 54.76 3f4n s LEU 187 Cb 0.00 -3.99 -0.08 0.00 0.03 0.00 0.00 46.19 42.16 3f4n s LEU 187 CO 0.00 -0.13 0.76 -0.54 0.23 0.00 0.00 176.35 176.67 3f4n s LYS 188 N -2.03 4.53 -0.15 1.70 3.01 -0.82 -3.69 119.74 122.29 3f4n s LYS 188 Ca 0.50 1.11 0.00 0.00 -1.01 0.00 0.00 55.97 56.58 3f4n s LYS 188 Cb -0.21 -3.27 0.02 0.00 -1.01 0.00 0.00 37.83 33.36 3f4n s LYS 188 CO 0.26 0.55 -0.14 0.08 0.51 0.00 0.00 175.35 176.61 3f4n s VAL 189 N -1.03 1.56 0.33 3.17 1.01 -1.26 -1.87 120.40 122.31 3f4n s VAL 189 Ca 0.35 -0.63 0.08 0.00 0.00 0.00 0.00 61.98 61.79 3f4n s VAL 189 Cb -0.23 -1.46 -0.04 0.00 0.00 0.00 0.00 36.38 34.65 3f4n s VAL 189 CO 0.25 0.46 0.15 0.20 0.00 0.00 0.00 175.10 176.16 3f4n s ASN 190 N 1.46 4.74 0.02 3.32 0.01 0.78 0.73 114.94 125.99 3f4n s ASN 190 Ca 0.04 -0.74 -0.05 0.00 -0.71 0.00 0.00 52.86 51.40 3f4n s ASN 190 Cb -0.13 -0.76 -0.01 0.00 0.41 0.00 0.00 41.25 40.76 3f4n s ASN 190 CO -0.10 -0.28 0.09 0.00 -1.51 0.00 0.00 177.10 175.29 3f4n s ALA 191 N -2.41 -0.12 0.00 0.60 0.00 -0.91 -0.11 121.76 118.82 3f4n s ALA 191 Ca 0.38 -0.41 0.00 0.00 0.00 0.00 0.00 51.96 51.92 3f4n s ALA 191 Cb -0.03 0.18 0.00 0.00 0.00 0.00 0.00 23.12 23.27 3f4n s ALA 191 CO 0.23 -0.25 0.00 0.41 0.00 0.00 0.00 175.76 176.15 3f4n n GLY 192 N 1.15 0.70 0.00 0.00 0.00 -0.79 -0.56 105.19 105.69 3f4n n GLY 192 Ca -0.21 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 44.96 3f4n n GLY 192 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3f4n n HIS 193 N -0.19 0.00 -1.00 1.61 -0.00 -1.23 -1.29 115.22 113.12 3f4n n HIS 193 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 3f4n n HIS 193 Cb 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 29.87 3f4n n HIS 193 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 3f4n n GLY 194 N 2.56 0.51 3.77 1.57 0.00 -1.26 -3.37 105.19 108.96 3f4n n GLY 194 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 3f4n n GLY 194 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3f4n s LEU 195 N 0.00 4.25 0.39 0.99 1.43 -1.26 -4.77 118.68 119.70 3f4n s LEU 195 Ca 0.00 2.24 0.04 0.00 -1.03 0.00 0.00 54.13 55.38 3f4n s LEU 195 Cb 0.00 -3.99 -0.03 0.00 0.03 0.00 0.00 46.19 42.20 3f4n s LEU 195 CO 0.00 -0.51 0.16 0.42 0.23 0.00 0.00 176.35 176.65 3f4n s THR 196 N -1.44 0.46 -1.01 5.49 -4.23 -1.26 -4.49 115.64 109.16 3f4n s THR 196 Ca 0.55 -2.00 0.09 0.00 -1.18 0.00 0.00 61.69 59.15 3f4n s THR 196 Cb -0.28 -2.39 0.07 0.00 1.34 0.00 0.00 72.50 71.25 3f4n s THR 196 CO 0.36 0.00 1.28 -1.22 -0.54 0.00 0.00 174.62 174.50 3f4n n TYR 197 N -0.83 0.00 0.16 3.99 4.02 -1.26 -2.97 117.16 120.27 3f4n n TYR 197 Ca -0.03 0.00 0.02 0.00 -0.01 0.00 0.00 57.90 57.88 3f4n n TYR 197 Cb 0.64 -0.50 -0.01 0.00 -0.02 0.00 0.00 39.34 39.46 3f4n n TYR 197 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 176.86 176.57 3f4n n HIS 198 N -1.50 0.00 -0.35 -0.72 8.25 -1.26 -4.66 115.22 114.98 3f4n n HIS 198 Ca 0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.48 3f4n n HIS 198 Cb 0.10 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.21 3f4n n HIS 198 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 3f4n n ASN 199 N -0.61 0.82 -0.13 0.41 2.04 -1.23 -4.88 115.26 111.68 3f4n n ASN 199 Ca 0.01 -1.17 -0.13 0.00 -0.44 0.00 0.00 54.58 52.86 3f4n n ASN 199 Cb 0.07 0.00 -0.01 0.00 -2.53 0.00 0.00 39.78 37.30 3f4n n ASN 199 CO 0.00 0.00 0.00 1.62 -0.44 0.00 0.00 177.26 178.44 3f4n h VAL 200 N 0.53 1.27 -0.47 3.53 3.04 -1.80 -3.35 116.25 118.99 3f4n h VAL 200 Ca 0.00 -1.50 0.09 0.00 -1.01 0.00 0.00 66.70 64.28 3f4n h VAL 200 Cb 0.30 1.28 -0.08 0.00 -2.01 0.00 0.00 31.29 30.79 3f4n h VAL 200 CO 0.00 0.51 0.01 1.56 -1.01 0.00 0.00 177.57 178.64 3f4n h GLN 201 N 0.81 0.13 -0.22 4.17 4.20 -1.89 0.32 115.11 122.62 3f4n h GLN 201 Ca 0.08 -0.01 -0.02 0.00 0.06 0.00 0.00 58.65 58.76 3f4n h GLN 201 Cb 0.92 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.66 3f4n h GLN 201 CO 0.09 0.08 0.05 -1.35 -0.67 0.00 0.00 178.83 177.03 3f4n h PRO 202 N 0.13 0.32 -0.16 1.46 0.11 -1.96 0.63 132.00 132.51 3f4n h PRO 202 Ca 0.24 -0.04 -0.22 0.00 0.11 0.00 0.00 66.00 66.09 3f4n h PRO 202 Cb 0.35 -0.06 0.01 0.00 0.11 0.00 0.00 31.00 31.41 3f4n h PRO 202 CO -0.38 0.30 -0.76 0.82 -0.21 0.00 0.00 178.00 177.78 3f4n h ILE 203 N 0.32 1.28 0.00 4.15 1.08 -1.40 -3.13 117.51 119.80 3f4n h ILE 203 Ca 0.08 -1.96 -0.02 0.00 -0.39 0.00 0.00 64.86 62.57 3f4n h ILE 203 Cb 0.14 1.95 -0.00 0.00 -3.07 0.00 0.00 36.82 35.84 3f4n h ILE 203 CO -0.00 0.62 -0.08 0.00 -0.69 0.00 0.00 178.15 177.99 3f4n h ALA 204 N 0.59 1.79 0.00 1.87 0.00 0.86 -3.12 119.26 121.26 3f4n h ALA 204 Ca -0.05 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 3f4n h ALA 204 Cb 1.38 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.15 3f4n h ALA 204 CO 0.16 0.11 -0.16 0.00 0.00 0.00 0.00 179.25 179.35 3f4n h ALA 205 N 1.92 0.92 -2.26 0.00 0.00 -0.87 -3.45 119.26 115.52 3f4n h ALA 205 Ca -0.00 -0.15 -0.55 0.00 0.00 0.00 0.00 54.91 54.20 3f4n h ALA 205 Cb 0.16 -0.03 0.02 0.00 0.00 0.00 0.00 17.79 17.94 3f4n h ALA 205 CO 0.01 0.21 1.21 1.28 0.00 0.00 0.00 179.25 181.95 3f4n n LEU 206 N -3.18 3.97 -0.15 0.00 4.77 -1.18 -4.89 117.00 116.34 3f4n n LEU 206 Ca 0.02 0.91 0.21 0.00 -0.03 0.00 0.00 56.01 57.12 3f4n n LEU 206 Cb 0.53 -1.49 0.60 0.00 -2.33 0.00 0.00 43.42 40.74 3f4n n LEU 206 CO 0.35 0.13 1.22 -0.65 -1.33 0.00 0.00 177.39 177.10 3f4n h PRO 207 N 10.32 0.22 0.00 3.23 0.11 -1.92 -2.77 132.00 141.19 3f4n h PRO 207 Ca -0.49 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 65.54 3f4n h PRO 207 Cb 1.25 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 3f4n h PRO 207 CO 0.94 0.14 -0.43 0.93 -0.21 0.00 0.00 178.00 179.38 3f4n h GLU 208 N 0.22 0.00 -6.78 1.05 3.07 -1.92 -3.46 114.58 106.76 3f4n h GLU 208 Ca 0.39 0.00 -0.55 0.00 -0.50 0.00 0.00 59.36 58.70 3f4n h GLU 208 Cb 1.18 0.00 0.09 0.00 -0.84 0.00 0.00 28.75 29.18 3f4n h GLU 208 CO -0.08 0.25 0.78 -1.33 -1.40 0.00 0.00 179.01 177.22 3f4n n MET 209 N -3.10 2.53 -0.06 2.33 2.81 -1.05 -4.25 117.12 116.33 3f4n n MET 209 Ca 0.02 0.90 -0.07 0.00 -1.81 0.00 0.00 57.70 56.73 3f4n n MET 209 Cb 0.65 -2.63 -0.02 0.00 -0.71 0.00 0.00 33.22 30.51 3f4n n MET 209 CO 0.00 0.00 0.00 1.58 1.51 0.00 0.00 175.97 179.06 3f4n n HIS 210 N 1.58 0.00 -4.37 2.03 -0.00 0.22 -4.87 115.22 109.82 3f4n n HIS 210 Ca 0.07 0.00 -0.19 0.00 0.46 0.00 0.00 57.72 58.07 3f4n n HIS 210 Cb 0.36 -0.39 -0.15 0.00 -0.12 0.00 0.00 29.99 29.69 3f4n n HIS 210 CO 0.00 0.00 0.00 -2.00 0.46 0.00 0.00 176.34 174.80 3f4n s GLU 211 N -2.68 0.73 -0.21 1.57 2.12 -1.25 -0.23 118.70 118.75 3f4n s GLU 211 Ca -0.22 -0.32 -0.13 0.00 0.36 0.00 0.00 54.97 54.66 3f4n s GLU 211 Cb 0.03 -0.71 -0.05 0.00 0.26 0.00 0.00 34.13 33.67 3f4n s GLU 211 CO 0.33 0.19 0.25 -0.51 -0.54 0.00 0.00 175.26 174.98 3f4n s LEU 212 N -0.21 4.16 -0.28 2.70 1.43 0.11 -2.13 118.68 124.47 3f4n s LEU 212 Ca 0.03 0.32 -0.11 0.00 -1.03 0.00 0.00 54.13 53.35 3f4n s LEU 212 Cb -0.04 -2.28 -0.05 0.00 0.03 0.00 0.00 46.19 43.86 3f4n s LEU 212 CO -0.00 0.04 0.17 0.20 0.23 0.00 0.00 176.35 176.99 3f4n s ASN 213 N 0.85 5.90 -0.11 2.29 0.01 0.28 -0.89 114.94 123.27 3f4n s ASN 213 Ca 0.13 -0.04 -0.05 0.00 -0.71 0.00 0.00 52.86 52.19 3f4n s ASN 213 Cb -0.13 -2.09 0.05 0.00 0.41 0.00 0.00 41.25 39.48 3f4n s ASN 213 CO 0.04 -0.05 0.24 -0.63 -1.51 0.00 0.00 177.10 175.20 3f4n s ILE 214 N 1.74 -0.13 0.00 0.60 1.01 -0.77 -3.54 121.20 120.11 3f4n s ILE 214 Ca 0.07 0.19 0.00 0.00 0.00 0.00 0.00 60.65 60.91 3f4n s ILE 214 Cb -0.16 -0.38 0.00 0.00 0.01 0.00 0.00 42.46 41.93 3f4n s ILE 214 CO 0.10 0.08 0.00 0.61 0.00 0.00 0.00 174.94 175.73 3f4n n GLY 215 N 4.51 0.03 0.30 6.18 0.00 -1.26 -1.89 105.19 113.06 3f4n n GLY 215 Ca -0.21 0.00 0.07 0.00 0.00 0.00 0.00 46.02 45.89 3f4n n GLY 215 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 3f4n h HIS 216 N 0.00 0.74 -0.35 1.61 -0.00 -1.91 -0.09 115.15 115.15 3f4n h HIS 216 Ca 0.00 0.03 -0.06 0.00 -0.00 0.00 0.00 60.37 60.35 3f4n h HIS 216 Cb 0.00 -0.20 -0.01 0.00 -0.00 0.00 0.00 27.41 27.20 3f4n h HIS 216 CO 0.00 0.17 0.00 0.00 -0.00 0.00 0.00 177.93 178.10 3f4n h ALA 217 N 1.56 0.47 0.85 5.26 0.00 -1.93 0.24 119.26 125.72 3f4n h ALA 217 Ca 0.46 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 3f4n h ALA 217 Cb 0.66 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 18.33 3f4n h ALA 217 CO -0.37 0.24 -0.41 0.82 0.00 0.00 0.00 179.25 179.53 3f4n h ILE 218 N 0.43 0.16 -0.98 0.00 2.04 -1.49 -0.01 117.51 117.68 3f4n h ILE 218 Ca 0.10 -0.00 0.21 0.00 1.00 0.00 0.00 64.86 66.16 3f4n h ILE 218 Cb 0.45 0.16 -0.09 0.00 -0.74 0.00 0.00 36.82 36.60 3f4n h ILE 218 CO 0.02 0.00 0.62 0.40 0.00 0.00 0.00 178.15 179.19 3f4n h ILE 219 N -1.15 0.67 -0.25 -0.67 1.08 -1.00 0.35 117.51 116.54 3f4n h ILE 219 Ca -0.12 -0.20 -0.12 0.00 -0.39 0.00 0.00 64.86 64.03 3f4n h ILE 219 Cb 0.88 0.03 -0.01 0.00 -3.07 0.00 0.00 36.82 34.64 3f4n h ILE 219 CO 0.19 0.11 -0.35 1.23 -0.69 0.00 0.00 178.15 178.64 3f4n h GLY 220 N 0.59 0.60 1.14 5.37 0.00 -0.14 -2.27 103.07 108.36 3f4n h GLY 220 Ca 0.54 -0.56 -0.20 0.00 0.00 0.00 0.00 47.33 47.11 3f4n h GLY 220 CO -0.30 0.51 -0.67 -1.61 0.00 0.00 0.00 176.54 174.48 3f4n h GLN 221 N 0.47 0.81 -0.75 4.80 5.75 0.44 -3.34 115.11 123.30 3f4n h GLN 221 Ca 0.05 -0.60 0.13 0.00 -0.15 0.00 0.00 58.65 58.08 3f4n h GLN 221 Cb 0.83 0.11 -0.09 0.00 1.07 0.00 0.00 27.48 29.39 3f4n h GLN 221 CO 0.07 1.22 0.32 0.00 -2.65 0.00 0.00 178.83 177.79 3f4n h ALA 222 N 0.59 1.05 -0.13 3.38 0.00 0.18 -1.20 119.26 123.13 3f4n h ALA 222 Ca -0.03 0.10 0.04 0.00 0.00 0.00 0.00 54.91 55.02 3f4n h ALA 222 Cb 1.29 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.12 3f4n h ALA 222 CO 0.14 -0.16 0.14 -0.39 0.00 0.00 0.00 179.25 178.99 3f4n h VAL 223 N 0.50 0.52 0.00 0.00 -1.51 -1.56 0.60 116.25 114.79 3f4n h VAL 223 Ca 0.40 0.00 -0.08 0.00 -1.23 0.00 0.00 66.70 65.79 3f4n h VAL 223 Cb 0.56 0.89 -0.01 0.00 -2.13 0.00 0.00 31.29 30.59 3f4n h VAL 223 CO -0.36 0.00 -0.64 0.24 -1.23 0.00 0.00 177.57 175.57 3f4n h MET 224 N 0.00 0.00 -0.00 5.19 2.07 -1.45 -3.43 114.93 117.31 3f4n h MET 224 Ca 0.06 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.69 3f4n h MET 224 Cb 0.35 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.08 3f4n h MET 224 CO -0.00 0.45 -0.79 0.25 1.07 0.00 0.00 176.91 177.90 3f4n n THR 225 N -4.58 0.00 0.00 2.22 -2.24 -0.62 -5.09 114.28 103.97 3f4n n THR 225 Ca -0.15 -0.11 0.00 0.00 -2.27 0.00 0.00 64.05 61.52 3f4n n THR 225 Cb 0.39 1.05 0.00 0.00 -2.10 0.00 0.00 70.33 69.67 3f4n n THR 225 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3f4n n GLY 226 N 1.41 1.22 0.22 3.38 0.00 0.21 -4.58 105.19 107.05 3f4n n GLY 226 Ca 0.04 -1.62 -0.04 0.00 0.00 0.00 0.00 46.02 44.40 3f4n n GLY 226 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3f4n h LEU 227 N 0.00 0.44 0.21 0.99 5.85 -1.91 -1.94 115.31 118.95 3f4n h LEU 227 Ca 0.00 -0.17 -0.00 0.00 0.84 0.00 0.00 57.88 58.54 3f4n h LEU 227 Cb 0.00 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 40.90 3f4n h LEU 227 CO 0.00 0.75 -0.14 0.00 -0.34 0.00 0.00 178.44 178.71 3f4n h ALA 228 N 1.28 -0.33 -0.79 1.25 0.00 -1.88 0.02 119.26 118.80 3f4n h ALA 228 Ca 0.04 -0.06 0.08 0.00 0.00 0.00 0.00 54.91 54.97 3f4n h ALA 228 Cb 0.77 0.17 -0.07 0.00 0.00 0.00 0.00 17.79 18.67 3f4n h ALA 228 CO 0.06 -0.70 0.46 0.00 0.00 0.00 0.00 179.25 179.07 3f4n h ALA 229 N 0.43 1.11 -0.30 0.00 0.00 -1.79 -1.98 119.26 116.74 3f4n h ALA 229 Ca -0.02 0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.80 3f4n h ALA 229 Cb 0.29 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 3f4n h ALA 229 CO 0.01 0.12 -0.30 0.00 0.00 0.00 0.00 179.25 179.09 3f4n h ALA 230 N 1.42 0.92 0.15 0.00 0.00 -0.64 -2.23 119.26 118.88 3f4n h ALA 230 Ca 0.37 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 3f4n h ALA 230 Cb 0.28 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3f4n h ALA 230 CO -0.22 0.62 -0.07 0.28 0.00 0.00 0.00 179.25 179.86 3f4n h VAL 231 N 0.54 0.85 -0.86 0.00 2.07 -0.89 -2.70 116.25 115.26 3f4n h VAL 231 Ca 0.07 -1.19 0.19 0.00 0.82 0.00 0.00 66.70 66.59 3f4n h VAL 231 Cb 0.78 1.45 -0.16 0.00 -1.52 0.00 0.00 31.29 31.85 3f4n h VAL 231 CO 0.06 0.23 -0.10 0.74 0.02 0.00 0.00 177.57 178.52 3f4n h THR 232 N -0.88 0.17 -0.55 2.57 2.02 -1.21 0.37 112.91 115.40 3f4n h THR 232 Ca -0.02 -0.01 -0.05 0.00 0.77 0.00 0.00 66.41 67.10 3f4n h THR 232 Cb 0.53 0.14 -0.03 0.00 -1.74 0.00 0.00 68.15 67.05 3f4n h THR 232 CO 0.03 0.01 0.13 0.44 0.37 0.00 0.00 175.52 176.50 3f4n h ASP 233 N 0.03 0.79 -0.35 4.18 3.32 -1.46 0.23 116.42 123.17 3f4n h ASP 233 Ca 0.45 -0.14 -0.13 0.00 0.02 0.00 0.00 57.03 57.22 3f4n h ASP 233 Cb 0.78 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 40.11 3f4n h ASP 233 CO -0.83 0.78 -0.30 -0.03 -1.72 0.00 0.00 179.24 177.14 3f4n h MET 234 N 0.82 0.81 -0.17 3.56 4.05 -1.00 -2.09 114.93 120.92 3f4n h MET 234 Ca 0.18 -0.41 0.00 0.00 -0.28 0.00 0.00 59.70 59.19 3f4n h MET 234 Cb 0.30 0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 31.10 3f4n h MET 234 CO -0.00 1.05 0.11 -0.22 0.23 0.00 0.00 176.91 178.08 3f4n h LYS 235 N 0.60 0.22 -0.38 0.39 1.63 -0.42 -1.94 116.57 116.66 3f4n h LYS 235 Ca 0.06 -0.01 0.07 0.00 -0.85 0.00 0.00 60.65 59.92 3f4n h LYS 235 Cb 0.88 -0.05 -0.07 0.00 -0.60 0.00 0.00 32.23 32.39 3f4n h LYS 235 CO 0.08 0.15 -0.06 0.28 -3.45 0.00 0.00 179.45 176.45 3f4n h VAL 236 N 0.22 0.66 -0.91 2.00 2.07 -0.57 -0.83 116.25 118.90 3f4n h VAL 236 Ca 0.06 -0.01 0.04 0.00 0.82 0.00 0.00 66.70 67.60 3f4n h VAL 236 Cb -0.02 0.61 -0.05 0.00 -1.52 0.00 0.00 31.29 30.30 3f4n h VAL 236 CO -0.01 0.01 0.59 -0.07 0.02 0.00 0.00 177.57 178.10 3f4n h LEU 237 N 0.04 0.97 -0.62 2.57 3.38 -0.96 -1.11 115.31 119.58 3f4n h LEU 237 Ca 0.19 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 58.10 3f4n h LEU 237 Cb 0.28 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 3f4n h LEU 237 CO -0.36 0.66 0.18 0.24 0.09 0.00 0.00 178.44 179.25 3f4n h MET 238 N 1.13 0.98 -0.62 1.13 2.86 -0.62 -0.41 114.93 119.38 3f4n h MET 238 Ca 0.36 -0.22 -0.01 0.00 -2.06 0.00 0.00 59.70 57.77 3f4n h MET 238 Cb 0.02 -0.14 -0.03 0.00 0.06 0.00 0.00 31.60 31.51 3f4n h MET 238 CO -0.12 0.88 0.36 0.00 1.06 0.00 0.00 176.91 179.08 3f4n h ARG 239 N 0.90 0.85 0.00 1.72 -0.00 -0.77 -3.10 114.38 113.98 3f4n h ARG 239 Ca 0.20 -0.09 -0.09 0.00 -0.50 0.00 0.00 59.98 59.50 3f4n h ARG 239 Cb 0.32 -0.17 -0.01 0.00 0.00 0.00 0.00 29.97 30.11 3f4n h ARG 239 CO -0.00 0.63 -0.42 0.93 0.00 0.00 0.00 179.97 181.10 3f4n h GLU 240 N 0.84 0.00 0.00 0.04 4.39 -0.72 -2.57 114.58 116.55 3f4n h GLU 240 Ca 0.22 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.91 3f4n h GLU 240 Cb 0.01 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.66 3f4n h GLU 240 CO -0.04 0.42 -0.03 0.00 -1.16 0.00 0.00 179.01 178.21 3f4n h ALA 241 N 1.58 1.54 -0.41 3.43 0.00 -1.00 -2.98 119.26 121.41 3f4n h ALA 241 Ca -0.00 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.75 3f4n h ALA 241 Cb 0.77 -0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.48 3f4n h ALA 241 CO 0.06 0.03 0.05 0.54 0.00 0.00 0.00 179.25 179.93 3f4n n ARG 242 N -3.89 2.62 0.00 0.00 1.74 -0.97 -4.46 116.66 111.70 3f4n n ARG 242 Ca -0.03 -3.02 0.11 0.00 -0.77 0.00 0.00 57.85 54.15 3f4n n ARG 242 Cb 0.11 -1.91 0.67 0.00 -1.02 0.00 0.00 32.46 30.31 3f4n n ARG 242 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98