#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ghf s ALA -7 N 0.00 3.20 0.16 3.04 0.00 -1.26 -5.07 121.76 121.83 2ghf s ALA -7 Ca 0.00 -0.02 -0.00 0.00 0.00 0.00 0.00 51.96 51.94 2ghf s ALA -7 Cb 0.00 -2.93 -0.04 0.00 0.00 0.00 0.00 23.12 20.15 2ghf s ALA -7 CO 0.00 -0.17 0.33 -3.38 0.00 0.00 0.00 175.76 172.54 2ghf s HIS -6 N -2.55 3.49 -0.45 0.00 -0.00 -1.26 -5.06 115.29 109.46 2ghf s HIS -6 Ca 0.55 0.30 -0.16 0.00 -0.00 0.00 0.00 55.06 55.74 2ghf s HIS -6 Cb -0.10 -1.81 0.04 0.00 -0.00 0.00 0.00 32.58 30.71 2ghf s HIS -6 CO 0.33 0.45 0.40 -1.01 -0.00 0.00 0.00 174.74 174.91 2ghf s HIS -5 N -1.76 3.21 -0.62 0.38 3.76 -1.26 -5.01 115.29 114.00 2ghf s HIS -5 Ca 0.37 -0.67 -0.10 0.00 -0.15 0.00 0.00 55.06 54.52 2ghf s HIS -5 Cb -0.11 -2.98 0.16 0.00 1.11 0.00 0.00 32.58 30.76 2ghf s HIS -5 CO 0.28 -0.74 0.50 -1.58 -0.85 0.00 0.00 174.74 172.35 2ghf s HIS -4 N 1.87 3.50 -0.39 1.40 2.46 -1.26 -5.02 115.29 117.85 2ghf s HIS -4 Ca 0.07 -2.06 -0.14 0.00 0.47 0.00 0.00 55.06 53.40 2ghf s HIS -4 Cb -0.21 -3.55 0.01 0.00 -0.13 0.00 0.00 32.58 28.71 2ghf s HIS -4 CO 0.10 -0.96 0.28 -1.01 -2.47 0.00 0.00 174.74 170.68 2ghf s HIS -3 N 0.69 3.24 -0.28 3.88 3.76 -1.26 -5.04 115.29 120.28 2ghf s HIS -3 Ca 0.12 -0.49 0.01 0.00 -0.15 0.00 0.00 55.06 54.54 2ghf s HIS -3 Cb -0.21 -2.56 0.08 0.00 1.11 0.00 0.00 32.58 31.01 2ghf s HIS -3 CO -0.03 -0.53 0.03 -3.38 -0.85 0.00 0.00 174.74 169.98 2ghf s HIS -2 N 1.69 2.34 -0.20 1.40 -0.00 -1.26 -4.87 115.29 114.39 2ghf s HIS -2 Ca 0.05 -1.96 0.09 0.00 -0.00 0.00 0.00 55.06 53.24 2ghf s HIS -2 Cb -0.19 -1.89 -0.22 0.00 -0.00 0.00 0.00 32.58 30.29 2ghf s HIS -2 CO 0.10 -0.84 0.04 1.58 -0.00 0.00 0.00 174.74 175.62 2ghf n HIS -1 N 4.67 0.22 -2.72 0.38 -0.00 -1.26 -4.96 115.22 111.55 2ghf n HIS -1 Ca -0.05 0.06 -0.21 0.00 -0.00 0.00 0.00 57.72 57.53 2ghf n HIS -1 Cb 0.43 -1.03 0.05 0.00 -0.00 0.00 0.00 29.99 29.44 2ghf n HIS -1 CO 0.00 0.00 0.00 -0.80 -0.00 0.00 0.00 176.34 175.54 2ghf s ASN 60 N -6.11 5.14 -0.40 0.26 0.02 -1.26 -5.04 114.94 107.56 2ghf s ASN 60 Ca -0.21 -0.22 -0.24 0.00 -1.02 0.00 0.00 52.86 51.18 2ghf s ASN 60 Cb 0.07 -0.57 0.02 0.00 0.02 0.00 0.00 41.25 40.79 2ghf s ASN 60 CO 0.73 -1.24 0.82 -1.10 0.02 0.00 0.00 177.10 176.33 2ghf s GLN 61 N -4.76 3.65 -0.37 -0.60 -1.52 -1.26 -4.98 119.66 109.82 2ghf s GLN 61 Ca 0.59 0.22 -0.29 0.00 -1.95 0.00 0.00 55.36 53.93 2ghf s GLN 61 Cb -0.09 -3.85 0.01 0.00 -0.22 0.00 0.00 33.01 28.85 2ghf s GLN 61 CO 0.39 -0.97 1.37 -1.14 -0.25 0.00 0.00 175.29 174.69 2ghf s GLN 62 N 3.26 3.71 -0.08 2.91 0.74 -1.26 -4.97 119.66 123.98 2ghf s GLN 62 Ca 0.32 1.07 -0.26 0.00 0.05 0.00 0.00 55.36 56.54 2ghf s GLN 62 Cb -0.12 -3.97 -0.03 0.00 1.10 0.00 0.00 33.01 29.99 2ghf s GLN 62 CO 0.20 -1.39 0.83 0.54 -0.55 0.00 0.00 175.29 174.92 2ghf s ASN 63 N 3.47 7.10 0.33 6.67 2.20 -1.26 -4.93 114.94 128.51 2ghf s ASN 63 Ca 0.59 1.33 0.05 0.00 -0.94 0.00 0.00 52.86 53.90 2ghf s ASN 63 Cb -0.15 -2.47 0.57 0.00 -2.00 0.00 0.00 41.25 37.19 2ghf s ASN 63 CO 0.29 -0.25 1.82 0.11 -2.94 0.00 0.00 177.10 176.13 2ghf h LYS 64 N 6.94 0.43 -1.52 3.55 1.57 -1.93 -3.49 116.57 122.12 2ghf h LYS 64 Ca -0.37 -0.12 0.05 0.00 -1.87 0.00 0.00 60.65 58.34 2ghf h LYS 64 Cb 1.18 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 33.42 2ghf h LYS 64 CO 0.78 0.57 -0.45 1.17 -0.57 0.00 0.00 179.45 180.95 2ghf n LYS 65 N -4.21 -1.60 -1.66 3.15 0.00 -1.26 -4.78 118.16 107.80 2ghf n LYS 65 Ca 0.00 1.27 -0.45 0.00 0.00 0.00 0.00 58.31 59.13 2ghf n LYS 65 Cb 0.32 -1.66 -0.04 0.00 0.00 0.00 0.00 35.03 33.66 2ghf n LYS 65 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.40 178.95 2ghf n VAL 66 N -2.33 0.64 0.00 3.15 3.14 -1.26 -4.77 118.33 116.90 2ghf n VAL 66 Ca -0.01 -0.16 0.00 0.00 -2.96 0.00 0.00 64.34 61.20 2ghf n VAL 66 Cb 0.23 -2.15 0.00 0.00 -1.06 0.00 0.00 33.84 30.86 2ghf n VAL 66 CO 0.00 0.00 0.00 -1.84 -6.46 0.00 0.00 176.83 168.53 2ghf n GLU 67 N 7.35 0.00 -3.14 1.45 0.28 -1.26 -5.03 120.64 120.28 2ghf n GLU 67 Ca 0.23 0.00 0.04 0.00 -0.16 0.00 0.00 57.16 57.27 2ghf n GLU 67 Cb 0.36 -0.58 -0.00 0.00 1.43 0.00 0.00 31.44 32.65 2ghf n GLU 67 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 177.13 177.17 2ghf s GLY 68 N -4.36 -1.17 0.00 -1.84 0.00 -1.26 -4.98 107.32 93.71 2ghf s GLY 68 Ca 0.00 1.36 0.00 0.00 0.00 0.00 0.00 44.72 46.08 2ghf s GLY 68 CO 0.00 3.84 0.00 0.61 0.00 0.00 0.00 173.10 177.55 2ghf n GLY 69 N 5.23 0.85 3.29 0.20 0.00 -1.26 -4.20 105.19 109.30 2ghf n GLY 69 Ca 0.07 -2.00 -0.36 0.00 0.00 0.00 0.00 46.02 43.73 2ghf n GLY 69 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2ghf s TYR 70 N -2.03 3.11 -0.28 1.61 2.02 0.50 -4.82 117.35 117.46 2ghf s TYR 70 Ca 0.00 -1.19 -0.12 0.00 -0.37 0.00 0.00 57.07 55.39 2ghf s TYR 70 Cb 0.00 -2.17 -0.04 0.00 -0.40 0.00 0.00 41.96 39.34 2ghf s TYR 70 CO 0.00 -0.63 0.25 -2.00 -1.57 0.00 0.00 175.55 171.60 2ghf s GLU 71 N 1.43 3.92 0.68 -0.62 2.12 -1.26 -1.92 118.70 123.05 2ghf s GLU 71 Ca 0.02 -0.25 -0.16 0.00 0.36 0.00 0.00 54.97 54.94 2ghf s GLU 71 Cb -0.17 -3.67 0.01 0.00 0.26 0.00 0.00 34.13 30.56 2ghf s GLU 71 CO -0.00 -0.23 1.18 0.00 -0.54 0.00 0.00 175.26 175.66 2ghf h LYS 73 N 0.05 0.60 -0.41 0.00 1.63 -1.06 -2.63 116.57 114.75 2ghf h LYS 73 Ca -0.48 -0.28 0.00 0.00 -0.85 0.00 0.00 60.65 59.04 2ghf h LYS 73 Cb 1.28 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.91 2ghf h LYS 73 CO 0.52 0.87 0.00 2.48 -3.45 0.00 0.00 179.45 179.87 2ghf n TYR 74 N -4.06 0.54 -3.61 1.91 4.11 -1.26 -4.29 117.16 110.50 2ghf n TYR 74 Ca -0.01 -0.40 -0.15 0.00 -0.00 0.00 0.00 57.90 57.34 2ghf n TYR 74 Cb 0.49 -0.01 -0.07 0.00 -0.00 0.00 0.00 39.34 39.75 2ghf n TYR 74 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 2ghf n THR 76 N 2.10 1.59 -3.05 0.00 -1.04 -1.26 -3.20 114.28 109.42 2ghf n THR 76 Ca -0.16 -0.75 -0.43 0.00 -2.04 0.00 0.00 64.05 60.68 2ghf n THR 76 Cb 0.56 -0.55 -0.06 0.00 -1.82 0.00 0.00 70.33 68.45 2ghf n THR 76 CO 0.00 0.00 0.00 0.12 -0.64 0.00 0.00 175.07 174.55 2ghf s PHE 77 N -1.68 3.04 -0.09 -1.42 2.19 -1.26 -4.78 117.98 113.98 2ghf s PHE 77 Ca 0.26 0.06 -0.01 0.00 0.33 0.00 0.00 56.93 57.57 2ghf s PHE 77 Cb 0.20 -3.46 -0.03 0.00 -1.31 0.00 0.00 43.02 38.42 2ghf s PHE 77 CO 0.06 -0.90 -0.04 -1.14 1.83 0.00 0.00 175.22 175.03 2ghf s GLN 78 N 3.00 3.01 -0.09 10.12 0.74 -1.26 -3.83 119.66 131.36 2ghf s GLN 78 Ca 0.26 -0.49 -0.05 0.00 0.05 0.00 0.00 55.36 55.12 2ghf s GLN 78 Cb -0.13 -2.72 0.04 0.00 1.10 0.00 0.00 33.01 31.29 2ghf s GLN 78 CO 0.20 0.59 0.21 -0.08 -0.55 0.00 0.00 175.29 175.66 2ghf s THR 79 N -0.60 -0.04 -2.00 -0.34 -1.32 -0.81 -4.89 115.64 105.65 2ghf s THR 79 Ca 0.09 0.13 0.22 0.00 -1.21 0.00 0.00 61.69 60.93 2ghf s THR 79 Cb -0.12 -0.32 0.63 0.00 -1.51 0.00 0.00 72.50 71.18 2ghf s THR 79 CO 0.02 0.05 1.71 -0.81 -2.21 0.00 0.00 174.62 173.39 2ghf n PRO 80 N 4.01 0.73 -3.21 7.08 -0.04 -1.26 -0.37 135.00 141.94 2ghf n PRO 80 Ca -0.24 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 62.81 2ghf n PRO 80 Cb 0.54 -1.47 -0.08 0.00 -0.04 0.00 0.00 33.50 32.45 2ghf n PRO 80 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 2ghf s ASP 81 N -1.96 6.35 0.22 3.54 -1.08 -1.26 -4.84 116.67 117.64 2ghf s ASP 81 Ca 0.33 0.03 -0.08 0.00 -0.52 0.00 0.00 52.55 52.31 2ghf s ASP 81 Cb 0.15 -2.28 0.19 0.00 -1.46 0.00 0.00 42.92 39.52 2ghf s ASP 81 CO 0.26 -0.50 1.85 0.25 0.52 0.00 0.00 175.17 177.55 2ghf h LEU 82 N 9.15 1.05 -0.43 -1.34 7.12 -1.98 0.34 115.31 129.22 2ghf h LEU 82 Ca -0.27 -0.09 -0.01 0.00 0.13 0.00 0.00 57.88 57.64 2ghf h LEU 82 Cb 1.12 -0.27 -0.02 0.00 -0.53 0.00 0.00 40.66 40.96 2ghf h LEU 82 CO 0.79 0.83 0.25 -1.13 -0.13 0.00 0.00 178.44 179.04 2ghf h ASN 83 N 1.18 0.53 0.24 1.25 -0.00 -1.97 0.19 115.58 117.00 2ghf h ASN 83 Ca 0.30 -0.08 -0.14 0.00 -0.00 0.00 0.00 56.30 56.38 2ghf h ASN 83 Cb 0.00 -0.13 -0.01 0.00 -0.00 0.00 0.00 38.32 38.18 2ghf h ASN 83 CO -0.05 0.45 -0.56 0.24 -0.00 0.00 0.00 177.43 177.51 2ghf h MET 84 N 0.57 0.34 0.55 6.67 2.86 -1.87 0.22 114.93 124.26 2ghf h MET 84 Ca 0.15 -0.21 -0.02 0.00 -2.06 0.00 0.00 59.70 57.55 2ghf h MET 84 Cb 0.03 0.03 0.00 0.00 0.06 0.00 0.00 31.60 31.72 2ghf h MET 84 CO -0.03 0.81 -0.29 0.35 1.06 0.00 0.00 176.91 178.81 2ghf h PHE 85 N 0.26 -0.74 0.00 -0.22 3.57 0.61 0.43 116.94 120.84 2ghf h PHE 85 Ca 0.00 -0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.39 2ghf h PHE 85 Cb 1.06 0.25 -0.01 0.00 2.79 0.00 0.00 35.95 40.04 2ghf h PHE 85 CO 0.03 -0.45 -0.47 0.00 -2.23 0.00 0.00 178.31 175.18 2ghf h THR 86 N -0.77 1.02 0.17 4.41 1.03 -0.61 -2.03 112.91 116.12 2ghf h THR 86 Ca -0.07 -1.85 -0.01 0.00 -0.01 0.00 0.00 66.41 64.47 2ghf h THR 86 Cb 0.60 2.10 0.00 0.00 -1.07 0.00 0.00 68.15 69.79 2ghf h THR 86 CO 0.10 0.46 -0.08 0.15 -0.01 0.00 0.00 175.52 176.15 2ghf h PHE 87 N 0.00 -0.21 0.00 0.00 3.57 -0.83 -0.35 116.94 119.12 2ghf h PHE 87 Ca -0.00 -0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.43 2ghf h PHE 87 Cb 1.06 0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.87 2ghf h PHE 87 CO 0.00 0.12 -0.27 1.12 -2.23 0.00 0.00 178.31 177.06 2ghf h HIS 88 N -0.57 0.00 0.65 0.41 2.07 -0.84 0.30 115.15 117.18 2ghf h HIS 88 Ca -0.02 0.00 -0.03 0.00 -2.85 0.00 0.00 60.37 57.46 2ghf h HIS 88 Cb 0.43 0.00 0.01 0.00 2.57 0.00 0.00 27.41 30.42 2ghf h HIS 88 CO 0.03 0.27 -0.31 0.28 -3.07 0.00 0.00 177.93 175.13 2ghf h VAL 89 N 0.00 0.28 0.00 6.12 2.07 -1.23 0.29 116.25 123.78 2ghf h VAL 89 Ca -0.00 -0.21 -0.01 0.00 0.82 0.00 0.00 66.70 67.30 2ghf h VAL 89 Cb 0.51 0.34 -0.00 0.00 -1.52 0.00 0.00 31.29 30.61 2ghf h VAL 89 CO 0.03 0.02 -0.03 -0.78 0.02 0.00 0.00 177.57 176.84 2ghf h ASP 90 N -1.03 0.00 0.07 0.57 1.82 -0.56 0.45 116.42 117.74 2ghf h ASP 90 Ca -0.09 0.00 -0.12 0.00 -0.39 0.00 0.00 57.03 56.43 2ghf h ASP 90 Cb 0.71 0.00 0.01 0.00 0.68 0.00 0.00 39.33 40.73 2ghf h ASP 90 CO 0.15 0.03 -0.51 -1.28 -1.61 0.00 0.00 179.24 176.02 2ghf h SER 91 N 0.00 0.33 0.00 2.28 0.87 -0.81 -3.34 113.55 112.87 2ghf h SER 91 Ca -0.00 -0.91 -0.32 0.00 -1.23 0.00 0.00 61.79 59.33 2ghf h SER 91 Cb 0.06 -0.10 -0.06 0.00 -0.44 0.00 0.00 62.40 61.86 2ghf h SER 91 CO 0.00 1.21 -2.21 -0.62 -0.53 0.00 0.00 176.83 174.69 2ghf n GLU 92 N -4.31 0.71 -3.18 2.24 1.02 0.10 -4.77 120.64 112.46 2ghf n GLU 92 Ca -0.12 0.09 -0.20 0.00 -0.02 0.00 0.00 57.16 56.92 2ghf n GLU 92 Cb 0.67 -1.43 -0.04 0.00 -0.02 0.00 0.00 31.44 30.63 2ghf n GLU 92 CO 0.00 0.00 0.00 -2.39 1.18 0.00 0.00 177.13 175.92 2ghf n HIS 93 N -3.01 0.40 -0.13 -0.32 1.44 0.15 -4.93 115.22 108.83 2ghf n HIS 93 Ca -0.36 -3.80 -0.13 0.00 -2.01 0.00 0.00 57.72 51.43 2ghf n HIS 93 Cb 0.94 -0.42 -0.02 0.00 0.12 0.00 0.00 29.99 30.62 2ghf n HIS 93 CO 0.00 0.00 0.00 -1.00 -2.81 0.00 0.00 176.34 172.53 2ghf h PRO 94 N 3.18 0.94 -4.69 -1.40 0.13 -1.45 -3.41 132.00 125.30 2ghf h PRO 94 Ca 0.10 -0.47 -0.63 0.00 -0.87 0.00 0.00 66.00 64.13 2ghf h PRO 94 Cb 0.92 0.00 -0.37 0.00 0.13 0.00 0.00 31.00 31.69 2ghf h PRO 94 CO 0.52 1.13 -0.82 1.21 -0.23 0.00 0.00 178.00 179.81 2ghf s ASN 95 N -6.78 3.44 -0.03 1.44 3.84 -1.26 -4.93 114.94 110.66 2ghf s ASN 95 Ca -0.11 -0.89 -0.01 0.00 0.21 0.00 0.00 52.86 52.06 2ghf s ASN 95 Cb 0.11 -1.31 0.03 0.00 -0.55 0.00 0.00 41.25 39.54 2ghf s ASN 95 CO 0.88 -0.12 0.04 0.54 -2.79 0.00 0.00 177.10 175.64 2ghf s VAL 96 N 1.35 -0.08 -0.00 -5.21 0.11 -1.26 -5.12 120.40 110.19 2ghf s VAL 96 Ca -0.01 0.30 -0.27 0.00 -2.93 0.00 0.00 61.98 59.08 2ghf s VAL 96 Cb -0.16 -0.11 -0.04 0.00 -1.53 0.00 0.00 36.38 34.54 2ghf s VAL 96 CO -0.09 0.13 0.84 -0.69 -3.33 0.00 0.00 175.10 171.96 2ghf s VAL 97 N 1.51 4.86 0.00 2.04 1.01 -1.26 -4.86 120.40 123.70 2ghf s VAL 97 Ca -0.03 1.77 -0.06 0.00 0.00 0.00 0.00 61.98 63.65 2ghf s VAL 97 Cb -0.13 -4.19 -0.00 0.00 0.00 0.00 0.00 36.38 32.07 2ghf s VAL 97 CO -0.03 0.25 0.12 -0.22 0.00 0.00 0.00 175.10 175.22 2ghf s LEU 98 N 0.61 1.62 -0.01 3.92 2.96 -1.26 -5.09 118.68 121.44 2ghf s LEU 98 Ca 0.44 -0.22 -0.00 0.00 -0.22 0.00 0.00 54.13 54.13 2ghf s LEU 98 Cb -0.20 0.60 -0.00 0.00 0.50 0.00 0.00 46.19 47.09 2ghf s LEU 98 CO 0.24 -0.35 -0.00 -1.13 -1.32 0.00 0.00 176.35 173.79 2ghf h ASN 99 N 4.39 0.00 -5.05 3.68 -0.00 -1.96 -3.44 115.58 113.21 2ghf h ASN 99 Ca -0.31 0.00 -0.08 0.00 -0.00 0.00 0.00 56.30 55.91 2ghf h ASN 99 Cb 1.20 0.00 -0.16 0.00 -0.00 0.00 0.00 38.32 39.35 2ghf h ASN 99 CO 0.41 0.03 -0.16 -0.44 -0.00 0.00 0.00 177.43 177.26 2ghf s SER 100 N -3.16 -0.21 0.04 1.15 0.01 -1.26 -4.69 113.70 105.59 2ghf s SER 100 Ca -0.00 -0.13 -0.27 0.00 1.31 0.00 0.00 55.95 56.85 2ghf s SER 100 Cb 0.00 0.40 0.10 0.00 0.21 0.00 0.00 66.02 66.73 2ghf s SER 100 CO 0.00 -0.67 1.21 -0.55 0.41 0.00 0.00 173.24 173.63 2ghf s SER 101 N -2.15 -0.03 0.01 2.44 0.15 -1.26 -5.02 113.70 107.83 2ghf s SER 101 Ca -0.04 -0.31 0.05 0.00 0.70 0.00 0.00 55.95 56.36 2ghf s SER 101 Cb -0.00 0.26 -0.03 0.00 -1.71 0.00 0.00 66.02 64.53 2ghf s SER 101 CO -0.04 -0.50 -0.14 -0.31 1.20 0.00 0.00 173.24 173.45 2ghf s TYR 102 N -2.27 2.68 -0.00 3.44 1.51 -1.25 -0.50 117.35 120.96 2ghf s TYR 102 Ca 0.22 -0.17 0.03 0.00 -1.01 0.00 0.00 57.07 56.13 2ghf s TYR 102 Cb 0.01 -1.54 -0.01 0.00 -0.11 0.00 0.00 41.96 40.31 2ghf s TYR 102 CO -0.00 0.27 -0.09 0.54 -1.11 0.00 0.00 175.55 175.16 2ghf s VAL 103 N -0.90 0.68 -0.62 0.71 0.11 -0.45 -2.48 120.40 117.44 2ghf s VAL 103 Ca 0.15 -0.44 -0.27 0.00 -2.93 0.00 0.00 61.98 58.49 2ghf s VAL 103 Cb -0.11 -0.59 0.04 0.00 -1.53 0.00 0.00 36.38 34.19 2ghf s VAL 103 CO 0.05 0.14 1.15 0.00 -3.33 0.00 0.00 175.10 173.10 2ghf h VAL 105 N 6.08 0.82 -0.57 0.00 2.07 -1.83 0.98 116.25 123.80 2ghf h VAL 105 Ca -0.26 -0.09 -0.02 0.00 0.82 0.00 0.00 66.70 67.15 2ghf h VAL 105 Cb 1.06 0.54 -0.03 0.00 -1.52 0.00 0.00 31.29 31.34 2ghf h VAL 105 CO 1.19 0.05 0.28 -0.33 0.02 0.00 0.00 177.57 178.78 2ghf h GLU 106 N 0.26 0.82 0.00 1.57 4.39 -1.89 -3.00 114.58 116.73 2ghf h GLU 106 Ca 0.28 -0.12 0.00 0.00 0.34 0.00 0.00 59.36 59.86 2ghf h GLU 106 Cb 0.76 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 29.26 2ghf h GLU 106 CO -0.06 0.67 -1.60 0.00 -1.16 0.00 0.00 179.01 176.85 2ghf n ASN 108 N -1.98 -5.36 -3.86 0.00 5.03 0.33 -5.02 115.26 104.39 2ghf n ASN 108 Ca -0.01 -0.83 -0.23 0.00 0.87 0.00 0.00 54.58 54.39 2ghf n ASN 108 Cb 0.48 -4.44 -0.17 0.00 -1.02 0.00 0.00 39.78 34.63 2ghf n ASN 108 CO 0.00 0.00 0.00 0.72 -1.83 0.00 0.00 177.26 176.15 2ghf s PHE 109 N -3.44 0.94 -0.13 3.10 -0.12 -1.08 -4.95 117.98 112.29 2ghf s PHE 109 Ca 0.39 -0.34 -0.14 0.00 -0.05 0.00 0.00 56.93 56.80 2ghf s PHE 109 Cb -0.09 -0.87 -0.05 0.00 -0.63 0.00 0.00 43.02 41.38 2ghf s PHE 109 CO 0.79 -0.32 0.31 -0.51 -0.05 0.00 0.00 175.22 175.44 2ghf s LEU 110 N 1.44 4.28 0.22 -1.99 1.43 -1.26 -1.65 118.68 121.15 2ghf s LEU 110 Ca -0.02 0.58 0.11 0.00 -1.03 0.00 0.00 54.13 53.77 2ghf s LEU 110 Cb -0.13 -2.40 -0.04 0.00 0.03 0.00 0.00 46.19 43.64 2ghf s LEU 110 CO -0.03 0.14 -0.16 0.28 0.23 0.00 0.00 176.35 176.81 2ghf s THR 111 N 0.19 2.75 0.67 5.49 -1.32 -1.04 -0.69 115.64 121.69 2ghf s THR 111 Ca 0.18 -2.01 0.44 0.00 -1.21 0.00 0.00 61.69 59.10 2ghf s THR 111 Cb -0.14 -2.38 0.45 0.00 -1.51 0.00 0.00 72.50 68.92 2ghf s THR 111 CO 0.06 -0.21 2.37 0.50 -2.21 0.00 0.00 174.62 175.12 2ghf h LYS 112 N 2.74 0.00 -4.90 7.08 3.64 -1.61 -3.36 116.57 120.15 2ghf h LYS 112 Ca -0.45 0.00 -0.44 0.00 -1.27 0.00 0.00 60.65 58.49 2ghf h LYS 112 Cb 1.22 0.00 -0.14 0.00 -0.41 0.00 0.00 32.23 32.91 2ghf h LYS 112 CO 0.54 0.00 -0.54 -0.98 -2.27 0.00 0.00 179.45 176.20 2ghf s ARG 113 N -4.15 1.66 -0.03 1.90 1.70 -1.26 -4.98 118.95 113.78 2ghf s ARG 113 Ca -0.05 -1.96 0.18 0.00 -0.47 0.00 0.00 55.73 53.43 2ghf s ARG 113 Cb 0.13 -0.09 -0.27 0.00 -0.57 0.00 0.00 34.95 34.14 2ghf s ARG 113 CO 0.41 -0.49 0.37 2.48 -1.08 0.00 0.00 175.30 176.99 2ghf n TYR 114 N -0.63 0.00 0.18 5.89 4.11 -1.26 -4.40 117.16 121.05 2ghf n TYR 114 Ca 0.01 0.00 0.06 0.00 -0.00 0.00 0.00 57.90 57.97 2ghf n TYR 114 Cb 0.64 -0.44 0.27 0.00 -0.00 0.00 0.00 39.34 39.81 2ghf n TYR 114 CO 0.00 0.00 0.00 0.38 -0.00 0.00 0.00 176.86 177.24 2ghf h ASP 115 N 0.00 0.00 0.08 9.48 2.03 -1.98 -3.00 116.42 123.02 2ghf h ASP 115 Ca -0.03 0.00 -0.01 0.00 -0.73 0.00 0.00 57.03 56.26 2ghf h ASP 115 Cb 0.90 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 39.40 2ghf h ASP 115 CO 0.00 0.37 -0.04 0.00 -1.03 0.00 0.00 179.24 178.55 2ghf h ALA 116 N 1.63 1.55 0.00 4.15 0.00 -1.97 0.19 119.26 124.81 2ghf h ALA 116 Ca -0.00 -0.03 -0.23 0.00 0.00 0.00 0.00 54.91 54.64 2ghf h ALA 116 Cb 1.02 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.77 2ghf h ALA 116 CO 0.05 0.04 -1.19 -0.07 0.00 0.00 0.00 179.25 178.08 2ghf h LEU 117 N 0.00 0.00 0.00 0.00 -0.00 -1.81 -2.12 115.31 111.39 2ghf h LEU 117 Ca -0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 57.88 57.75 2ghf h LEU 117 Cb 0.09 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 40.76 2ghf h LEU 117 CO 0.00 0.99 -0.53 0.28 -0.00 0.00 0.00 178.44 179.19 2ghf h SER 118 N 0.00 0.46 1.62 -0.43 0.02 -0.97 -3.12 113.55 111.13 2ghf h SER 118 Ca -0.09 -0.77 0.00 0.00 -0.84 0.00 0.00 61.79 60.09 2ghf h SER 118 Cb 1.83 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 64.23 2ghf h SER 118 CO 0.11 1.17 0.00 -0.33 -1.14 0.00 0.00 176.83 176.64 2ghf h GLU 119 N -0.21 0.00 -0.22 3.45 5.08 -0.85 -3.36 114.58 118.47 2ghf h GLU 119 Ca -0.07 0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.35 2ghf h GLU 119 Cb 1.25 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.43 2ghf h GLU 119 CO 0.10 0.00 -0.41 1.25 -1.00 0.00 0.00 179.01 178.96 2ghf h HIS 120 N 0.00 -1.17 0.00 4.33 2.76 -1.31 0.13 115.15 119.89 2ghf h HIS 120 Ca 0.00 0.05 0.00 0.00 -2.20 0.00 0.00 60.37 58.22 2ghf h HIS 120 Cb 0.81 0.54 0.00 0.00 1.55 0.00 0.00 27.41 30.31 2ghf h HIS 120 CO 0.00 -0.45 0.00 -2.95 -1.30 0.00 0.00 177.93 173.23 2ghf h ASN 121 N -0.42 0.00 0.14 3.26 -1.07 -1.70 0.83 115.58 116.61 2ghf h ASN 121 Ca 0.10 0.00 -0.01 0.00 0.07 0.00 0.00 56.30 56.46 2ghf h ASN 121 Cb 0.60 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.85 2ghf h ASN 121 CO -0.45 0.00 -0.06 0.25 0.07 0.00 0.00 177.43 177.24 2ghf h LEU 122 N 0.00 -0.15 0.00 6.14 5.85 -1.23 -2.87 115.31 123.04 2ghf h LEU 122 Ca 0.00 -0.39 -0.24 0.00 0.84 0.00 0.00 57.88 58.09 2ghf h LEU 122 Cb 0.42 0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.44 2ghf h LEU 122 CO 0.00 0.43 -1.91 2.29 -0.34 0.00 0.00 178.44 178.91 2ghf n LYS 123 N -4.89 0.45 -0.07 1.25 2.85 0.27 -4.35 118.16 113.67 2ghf n LYS 123 Ca -0.08 0.09 -0.12 0.00 -1.05 0.00 0.00 58.31 57.16 2ghf n LYS 123 Cb 0.27 -1.32 -0.09 0.00 -0.65 0.00 0.00 35.03 33.24 2ghf n LYS 123 CO 0.00 0.00 0.00 1.88 -0.05 0.00 0.00 177.40 179.23 2ghf h TYR 124 N 0.00 0.00 -2.37 5.58 -1.99 0.19 -3.40 116.97 114.98 2ghf h TYR 124 Ca -0.36 0.00 -0.66 0.00 2.00 0.00 0.00 58.73 59.72 2ghf h TYR 124 Cb 1.56 0.00 -0.38 0.00 2.00 0.00 0.00 36.73 39.91 2ghf h TYR 124 CO 0.02 0.79 -0.22 0.72 -0.00 0.00 0.00 178.16 179.47 2ghf n HIS 125 N -4.62 3.31 -2.40 4.88 8.25 0.20 -4.94 115.22 119.90 2ghf n HIS 125 Ca -0.11 -3.73 -0.37 0.00 -0.26 0.00 0.00 57.72 53.24 2ghf n HIS 125 Cb 0.39 -0.74 -0.03 0.00 1.12 0.00 0.00 29.99 30.74 2ghf n HIS 125 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 2ghf s PRO 126 N -2.65 4.09 0.00 -0.41 0.04 -1.08 -4.34 135.00 130.65 2ghf s PRO 126 Ca 0.38 1.69 0.00 0.00 0.04 0.00 0.00 61.00 63.11 2ghf s PRO 126 Cb 0.13 -2.61 0.00 0.00 0.04 0.00 0.00 34.50 32.06 2ghf s PRO 126 CO 0.01 -0.25 0.00 0.41 0.04 0.00 0.00 177.00 177.21 2ghf n GLY 127 N 0.52 2.14 3.83 0.56 0.00 -1.26 -5.01 105.19 105.97 2ghf n GLY 127 Ca 0.05 -0.22 -0.03 0.00 0.00 0.00 0.00 46.02 45.81 2ghf n GLY 127 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2ghf s GLU 128 N 0.00 1.30 -0.46 1.61 -1.05 -1.26 -5.12 118.70 113.73 2ghf s GLU 128 Ca 0.00 -0.80 0.04 0.00 -0.15 0.00 0.00 54.97 54.06 2ghf s GLU 128 Cb 0.00 0.39 0.12 0.00 -0.44 0.00 0.00 34.13 34.20 2ghf s GLU 128 CO 0.00 -0.60 0.20 -2.00 0.95 0.00 0.00 175.26 173.80 2ghf s GLU 129 N -2.58 1.71 -0.37 -4.83 2.56 -1.26 -4.71 118.70 109.23 2ghf s GLU 129 Ca 0.18 -2.30 0.05 0.00 0.00 0.00 0.00 54.97 52.90 2ghf s GLU 129 Cb -0.02 -3.11 0.17 0.00 2.00 0.00 0.00 34.13 33.17 2ghf s GLU 129 CO 0.04 -1.07 0.51 -0.80 -0.56 0.00 0.00 175.26 173.39 2ghf s ASN 130 N 0.16 -0.41 -0.02 -1.70 0.01 -1.26 -5.13 114.94 106.59 2ghf s ASN 130 Ca 0.15 -0.86 0.02 0.00 -0.71 0.00 0.00 52.86 51.47 2ghf s ASN 130 Cb -0.24 1.41 -0.03 0.00 0.41 0.00 0.00 41.25 42.80 2ghf s ASN 130 CO -0.03 -0.24 -0.06 -0.36 -1.51 0.00 0.00 177.10 174.90 2ghf s PHE 131 N 1.94 2.93 0.35 2.20 0.08 -1.26 -3.74 117.98 120.48 2ghf s PHE 131 Ca 0.15 -0.01 0.08 0.00 0.12 0.00 0.00 56.93 57.27 2ghf s PHE 131 Cb -0.09 -1.64 -0.04 0.00 -0.57 0.00 0.00 43.02 40.67 2ghf s PHE 131 CO -0.12 0.38 0.13 -1.59 -0.10 0.00 0.00 175.22 173.92 2ghf s LYS 132 N -1.29 2.32 -0.14 0.44 -2.85 0.21 -4.94 119.74 113.49 2ghf s LYS 132 Ca 0.16 -1.61 0.00 0.00 -1.00 0.00 0.00 55.97 53.52 2ghf s LYS 132 Cb -0.11 -2.12 0.02 0.00 -2.06 0.00 0.00 37.83 33.56 2ghf s LYS 132 CO 0.06 0.08 -0.12 -0.48 0.10 0.00 0.00 175.35 175.00 2ghf s LEU 133 N -3.84 1.55 -0.13 2.77 2.34 -1.26 -1.81 118.68 118.30 2ghf s LEU 133 Ca 0.38 -0.45 -0.02 0.00 0.06 0.00 0.00 54.13 54.10 2ghf s LEU 133 Cb -0.01 -1.07 0.04 0.00 -0.56 0.00 0.00 46.19 44.58 2ghf s LEU 133 CO 0.22 -0.08 0.01 0.28 -1.06 0.00 0.00 176.35 175.72 2ghf s THR 134 N 1.55 0.51 -0.49 5.48 -1.32 0.94 -4.98 115.64 117.34 2ghf s THR 134 Ca 0.05 -0.22 -0.18 0.00 -1.21 0.00 0.00 61.69 60.12 2ghf s THR 134 Cb -0.13 -0.81 0.06 0.00 -1.51 0.00 0.00 72.50 70.11 2ghf s THR 134 CO -0.10 0.07 0.54 -0.32 -2.21 0.00 0.00 174.62 172.60 2ghf s MET 135 N 1.89 3.08 -0.25 7.08 0.00 -1.26 0.12 119.30 129.96 2ghf s MET 135 Ca 0.02 -1.03 -0.02 0.00 0.00 0.00 0.00 55.69 54.66 2ghf s MET 135 Cb -0.14 -4.10 0.13 0.00 0.00 0.00 0.00 34.83 30.71 2ghf s MET 135 CO -0.07 -1.14 0.34 0.14 0.00 0.00 0.00 175.02 174.29 2ghf s VAL 136 N 2.29 -0.53 -0.14 10.11 -7.23 -1.22 -4.92 120.40 118.76 2ghf s VAL 136 Ca 0.11 -0.16 -0.03 0.00 -1.81 0.00 0.00 61.98 60.09 2ghf s VAL 136 Cb -0.21 -0.83 0.05 0.00 0.56 0.00 0.00 36.38 35.96 2ghf s VAL 136 CO 0.10 -0.20 0.06 -0.75 -0.31 0.00 0.00 175.10 174.00 2ghf s LYS 137 N 2.48 0.27 0.07 4.82 2.47 -1.26 -4.79 119.74 123.80 2ghf s LYS 137 Ca 0.11 -0.08 0.09 0.00 -1.56 0.00 0.00 55.97 54.53 2ghf s LYS 137 Cb -0.15 -1.59 -0.03 0.00 -1.46 0.00 0.00 37.83 34.60 2ghf s LYS 137 CO -0.19 -0.56 -0.23 1.03 0.16 0.00 0.00 175.35 175.56 2ghf s ARG 138 N 2.05 1.82 -0.68 4.03 3.00 -1.26 -4.13 118.95 123.77 2ghf s ARG 138 Ca 0.02 -1.12 0.00 0.00 0.00 0.00 0.00 55.73 54.63 2ghf s ARG 138 Cb -0.15 -2.05 0.00 0.00 0.00 0.00 0.00 34.95 32.75 2ghf s ARG 138 CO -0.07 0.51 0.00 -1.71 0.00 0.00 0.00 175.30 174.02 2ghf n ASN 139 N 1.43 -3.59 0.00 0.23 5.15 -1.26 -4.80 115.26 112.42 2ghf n ASN 139 Ca -0.17 0.14 0.00 0.00 -0.60 0.00 0.00 54.58 53.95 2ghf n ASN 139 Cb 0.52 -1.88 0.00 0.00 -0.53 0.00 0.00 39.78 37.90 2ghf n ASN 139 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 2ghf n ASN 140 N 0.91 0.00 -3.67 1.20 3.02 -1.26 -5.13 115.26 110.32 2ghf n ASN 140 Ca -0.07 0.00 -0.02 0.00 -0.03 0.00 0.00 54.58 54.46 2ghf n ASN 140 Cb 0.27 0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 39.44 2ghf n ASN 140 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2ghf s GLN 141 N 0.00 0.99 -0.44 3.52 0.00 -1.26 -4.87 119.66 117.61 2ghf s GLN 141 Ca 0.00 -0.56 -0.19 0.00 -0.00 0.00 0.00 55.36 54.61 2ghf s GLN 141 Cb 0.00 0.33 0.03 0.00 0.00 0.00 0.00 33.01 33.36 2ghf s GLN 141 CO 0.00 -0.46 0.54 0.95 0.00 0.00 0.00 175.29 176.33 2ghf s THR 142 N -2.90 4.95 0.06 3.63 -4.23 -1.26 -4.36 115.64 111.54 2ghf s THR 142 Ca 0.14 -0.18 0.01 0.00 -1.18 0.00 0.00 61.69 60.48 2ghf s THR 142 Cb 0.00 -4.14 -0.03 0.00 1.34 0.00 0.00 72.50 69.67 2ghf s THR 142 CO 0.01 -0.54 -0.06 0.27 -0.54 0.00 0.00 174.62 173.76 2ghf s ILE 143 N 2.47 0.48 -0.14 2.99 -5.25 -1.26 -4.43 121.20 116.07 2ghf s ILE 143 Ca 0.17 -1.59 -0.21 0.00 -0.99 0.00 0.00 60.65 58.02 2ghf s ILE 143 Cb -0.16 -1.23 -0.03 0.00 2.95 0.00 0.00 42.46 43.99 2ghf s ILE 143 CO 0.16 -0.75 0.64 -0.36 -1.79 0.00 0.00 174.94 172.84 2ghf s PHE 144 N -2.92 3.46 -0.02 1.37 0.40 0.34 -3.43 117.98 117.18 2ghf s PHE 144 Ca 0.02 1.04 -0.09 0.00 -0.60 0.00 0.00 56.93 57.31 2ghf s PHE 144 Cb 0.01 -2.78 -0.05 0.00 0.51 0.00 0.00 43.02 40.71 2ghf s PHE 144 CO -0.04 -0.05 0.27 -1.21 0.70 0.00 0.00 175.22 174.89 2ghf s GLU 145 N 1.39 3.62 -0.23 0.44 2.02 0.12 -1.34 118.70 124.72 2ghf s GLU 145 Ca 0.32 0.02 0.02 0.00 0.02 0.00 0.00 54.97 55.35 2ghf s GLU 145 Cb -0.16 -3.13 0.05 0.00 0.10 0.00 0.00 34.13 30.98 2ghf s GLU 145 CO 0.13 0.69 -0.13 -1.14 0.02 0.00 0.00 175.26 174.82 2ghf s GLN 146 N -1.43 2.39 0.32 1.61 0.74 0.15 -0.04 119.66 123.40 2ghf s GLN 146 Ca 0.24 -1.12 0.09 0.00 0.05 0.00 0.00 55.36 54.61 2ghf s GLN 146 Cb -0.14 -2.73 -0.05 0.00 1.10 0.00 0.00 33.01 31.20 2ghf s GLN 146 CO 0.12 -0.45 0.06 0.99 -0.55 0.00 0.00 175.29 175.46 2ghf s THR 147 N 1.20 3.02 0.18 -0.34 2.01 -0.75 -2.66 115.64 118.30 2ghf s THR 147 Ca -0.04 -1.84 0.07 0.00 0.31 0.00 0.00 61.69 60.19 2ghf s THR 147 Cb -0.18 -2.89 -0.04 0.00 0.01 0.00 0.00 72.50 69.41 2ghf s THR 147 CO -0.08 -0.24 0.02 -0.63 -0.69 0.00 0.00 174.62 173.00 2ghf s ILE 148 N -2.43 3.83 -1.98 1.82 1.01 -1.26 0.66 121.20 122.84 2ghf s ILE 148 Ca 0.35 -1.39 0.22 0.00 0.00 0.00 0.00 60.65 59.83 2ghf s ILE 148 Cb -0.03 -2.94 0.63 0.00 0.01 0.00 0.00 42.46 40.14 2ghf s ILE 148 CO 0.21 -0.12 1.53 -0.46 0.00 0.00 0.00 174.94 176.09 2ghf n ASN 149 N -0.20 3.84 0.06 3.58 2.04 -1.25 -4.47 115.26 118.86 2ghf n ASN 149 Ca -0.09 -2.01 0.00 0.00 -0.44 0.00 0.00 54.58 52.04 2ghf n ASN 149 Cb 0.55 -0.48 0.00 0.00 -2.53 0.00 0.00 39.78 37.32 2ghf n ASN 149 CO 0.00 0.00 0.00 -0.67 -0.44 0.00 0.00 177.26 176.15 2ghf n ASP 150 N 1.58 -0.91 -0.35 0.53 2.03 -1.26 -4.89 116.55 113.28 2ghf n ASP 150 Ca 0.24 0.22 0.00 0.00 0.52 0.00 0.00 54.79 55.77 2ghf n ASP 150 Cb 0.61 1.16 0.00 0.00 -0.72 0.00 0.00 41.12 42.17 2ghf n ASP 150 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 2ghf n LEU 151 N -2.75 0.69 0.18 -2.67 4.77 -1.26 -4.17 117.00 111.80 2ghf n LEU 151 Ca 0.00 -0.35 0.10 0.00 -0.03 0.00 0.00 56.01 55.73 2ghf n LEU 151 Cb 0.00 -0.35 0.51 0.00 -2.33 0.00 0.00 43.42 41.25 2ghf n LEU 151 CO 0.00 0.17 0.84 0.74 -1.33 0.00 0.00 177.39 177.81 2ghf h THR 152 N 0.00 0.00 0.00 -5.08 2.02 -1.90 -3.48 112.91 104.47 2ghf h THR 152 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 2ghf h THR 152 Cb 0.35 0.42 0.00 0.00 -1.74 0.00 0.00 68.15 67.17 2ghf h THR 152 CO 0.00 0.00 0.00 2.22 0.37 0.00 0.00 175.52 178.11