#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gfu n ALA 69 N 0.00 2.72 -3.51 0.58 0.00 -1.26 -5.08 120.51 113.97 2gfu n ALA 69 Ca 0.00 -0.16 -0.12 0.00 0.00 0.00 0.00 53.44 53.16 2gfu n ALA 69 Cb 0.00 0.42 -0.12 0.00 0.00 0.00 0.00 19.45 19.75 2gfu n ALA 69 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2gfu s LYS 70 N -2.08 0.33 0.17 0.00 2.20 -1.26 -5.18 119.74 113.92 2gfu s LYS 70 Ca -0.06 0.57 0.04 0.00 -0.36 0.00 0.00 55.97 56.17 2gfu s LYS 70 Cb 0.02 0.03 -0.04 0.00 -1.51 0.00 0.00 37.83 36.34 2gfu s LYS 70 CO 0.07 -0.11 0.22 -0.80 -0.36 0.00 0.00 175.35 174.37 2gfu s ASN 71 N 0.85 5.91 -0.22 1.43 0.01 -1.26 -5.12 114.94 116.55 2gfu s ASN 71 Ca -0.06 -0.00 -0.06 0.00 -0.71 0.00 0.00 52.86 52.03 2gfu s ASN 71 Cb -0.06 -1.66 -0.03 0.00 0.41 0.00 0.00 41.25 39.91 2gfu s ASN 71 CO -0.06 0.04 0.04 -0.22 -1.51 0.00 0.00 177.10 175.39 2gfu s LEU 72 N -3.27 3.42 0.44 0.60 2.96 -1.26 -5.03 118.68 116.53 2gfu s LEU 72 Ca 0.33 -0.16 0.24 0.00 -0.22 0.00 0.00 54.13 54.32 2gfu s LEU 72 Cb -0.10 -1.89 0.70 0.00 0.50 0.00 0.00 46.19 45.40 2gfu s LEU 72 CO 0.26 0.04 1.73 0.78 -1.32 0.00 0.00 176.35 177.84 2gfu h ASN 73 N 7.65 0.00 0.00 3.68 4.21 -2.04 -3.48 115.58 125.60 2gfu h ASN 73 Ca -0.37 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.14 2gfu h ASN 73 Cb 1.18 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.38 2gfu h ASN 73 CO 0.61 0.16 0.00 0.61 -1.29 0.00 0.00 177.43 177.52 2gfu n GLY 74 N 0.60 3.10 0.00 2.83 0.00 -1.26 -4.62 105.19 105.84 2gfu n GLY 74 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 2gfu n GLY 74 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gfu n GLY 75 N -1.84 -0.03 3.38 -0.02 0.00 -1.26 -5.07 105.19 100.35 2gfu n GLY 75 Ca 0.00 -0.46 -0.35 0.00 0.00 0.00 0.00 46.02 45.21 2gfu n GLY 75 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2gfu s LEU 76 N 0.00 3.10 0.42 0.99 2.34 -1.26 -5.01 118.68 119.26 2gfu s LEU 76 Ca 0.00 -0.30 0.22 0.00 0.06 0.00 0.00 54.13 54.11 2gfu s LEU 76 Cb 0.00 -1.80 0.86 0.00 -0.56 0.00 0.00 46.19 44.69 2gfu s LEU 76 CO 0.00 0.00 1.80 0.03 -1.06 0.00 0.00 176.35 177.13 2gfu h ARG 77 N 7.94 0.00 0.00 1.48 -0.00 -1.92 -3.43 114.38 118.46 2gfu h ARG 77 Ca -0.39 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.09 2gfu h ARG 77 Cb 1.17 0.00 0.00 0.00 0.00 0.00 0.00 29.97 31.14 2gfu h ARG 77 CO 0.60 0.26 0.00 2.89 0.00 0.00 0.00 179.97 183.72 2gfu n ARG 78 N -3.44 0.00 -1.60 0.04 1.85 -1.26 -5.14 116.66 107.10 2gfu n ARG 78 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 2gfu n ARG 78 Cb 0.45 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.86 2gfu n ARG 78 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 2gfu n SER 79 N -1.31 0.00 -0.25 2.89 7.64 -1.26 -5.18 113.62 116.15 2gfu n SER 79 Ca 0.00 -0.90 0.00 0.00 1.01 0.00 0.00 58.87 58.98 2gfu n SER 79 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 2gfu n SER 79 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 2gfu n VAL 80 N 0.00 -0.56 -4.39 0.44 0.31 -1.26 -4.88 118.33 107.99 2gfu n VAL 80 Ca 0.00 0.00 -0.30 0.00 -0.01 0.00 0.00 64.34 64.03 2gfu n VAL 80 Cb 0.00 -0.78 -0.12 0.00 -0.91 0.00 0.00 33.84 32.03 2gfu n VAL 80 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2gfu s ALA 81 N 0.00 2.62 -1.30 3.52 0.00 -1.26 -4.88 121.76 120.47 2gfu s ALA 81 Ca 0.00 -1.33 -0.18 0.00 0.00 0.00 0.00 51.96 50.44 2gfu s ALA 81 Cb 0.00 -0.63 0.05 0.00 0.00 0.00 0.00 23.12 22.54 2gfu s ALA 81 CO 0.00 0.58 1.81 -0.35 0.00 0.00 0.00 175.76 177.80 2gfu n PRO 82 N 0.97 2.99 0.00 0.00 -0.04 -1.26 -4.66 135.00 132.99 2gfu n PRO 82 Ca -0.16 -3.11 0.00 0.00 -0.04 0.00 0.00 63.50 60.19 2gfu n PRO 82 Cb 0.53 -3.49 0.00 0.00 -0.04 0.00 0.00 33.50 30.49 2gfu n PRO 82 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2gfu n ALA 83 N 8.74 1.01 -2.96 0.55 0.00 -1.26 -5.06 120.51 121.54 2gfu n ALA 83 Ca 0.49 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.54 2gfu n ALA 83 Cb 0.45 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.79 2gfu n ALA 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2gfu s ALA 84 N -2.00 3.21 -0.99 0.00 0.00 -1.26 -5.05 121.76 115.66 2gfu s ALA 84 Ca 0.00 -1.57 -0.23 0.00 0.00 0.00 0.00 51.96 50.16 2gfu s ALA 84 Cb 0.00 -2.40 0.04 0.00 0.00 0.00 0.00 23.12 20.76 2gfu s ALA 84 CO 0.00 -1.14 1.51 -1.25 0.00 0.00 0.00 175.76 174.88 2gfu s PRO 85 N 1.54 3.44 0.00 0.00 0.04 -1.26 -4.89 135.00 133.88 2gfu s PRO 85 Ca 0.02 -0.98 0.00 0.00 0.04 0.00 0.00 61.00 60.08 2gfu s PRO 85 Cb -0.18 -5.28 0.00 0.00 0.04 0.00 0.00 34.50 29.08 2gfu s PRO 85 CO 0.05 -2.36 0.00 -2.37 0.04 0.00 0.00 177.00 172.36 2gfu n THR 86 N 7.00 0.00 -1.48 1.26 5.66 -1.26 -1.10 114.28 124.36 2gfu n THR 86 Ca 0.33 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.33 2gfu n THR 86 Cb 0.50 -0.10 0.00 0.00 -1.55 0.00 0.00 70.33 69.19 2gfu n THR 86 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 2gfu n SER 87 N 0.11 0.00 -3.08 1.09 3.41 -1.26 -4.98 113.62 108.91 2gfu n SER 87 Ca 0.00 -1.07 -0.19 0.00 -0.26 0.00 0.00 58.87 57.35 2gfu n SER 87 Cb 0.00 -0.01 -0.04 0.00 -0.26 0.00 0.00 64.21 63.90 2gfu n SER 87 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2gfu n SER 88 N 0.00 -0.89 -3.07 4.04 3.41 -0.26 -4.67 113.62 112.17 2gfu n SER 88 Ca 0.00 -2.82 -0.19 0.00 -0.26 0.00 0.00 58.87 55.60 2gfu n SER 88 Cb 0.51 0.13 -0.04 0.00 -0.26 0.00 0.00 64.21 64.56 2gfu n SER 88 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2gfu n ASP 89 N 1.73 -1.00 -4.27 4.04 8.00 -1.26 -4.57 116.55 119.21 2gfu n ASP 89 Ca 0.19 -2.82 -0.33 0.00 0.71 0.00 0.00 54.79 52.54 2gfu n ASP 89 Cb 0.55 0.20 -0.15 0.00 -0.02 0.00 0.00 41.12 41.70 2gfu n ASP 89 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 2gfu s PHE 90 N -0.36 2.74 0.38 1.24 0.08 -1.26 -5.13 117.98 115.67 2gfu s PHE 90 Ca 0.34 -0.98 0.08 0.00 0.12 0.00 0.00 56.93 56.49 2gfu s PHE 90 Cb 0.16 -1.85 -0.04 0.00 -0.57 0.00 0.00 43.02 40.72 2gfu s PHE 90 CO -0.16 -0.42 0.19 -1.54 -0.10 0.00 0.00 175.22 173.19 2gfu s SER 91 N 0.64 4.61 0.13 1.36 1.04 -1.26 -4.97 113.70 115.25 2gfu s SER 91 Ca -0.09 -0.90 -0.34 0.00 0.48 0.00 0.00 55.95 55.10 2gfu s SER 91 Cb -0.16 -0.60 -0.14 0.00 0.10 0.00 0.00 66.02 65.22 2gfu s SER 91 CO 0.02 -0.44 1.57 -2.65 0.98 0.00 0.00 173.24 172.72 2gfu n PRO 92 N -1.23 2.02 0.00 4.02 -0.02 -1.26 -2.44 135.00 136.08 2gfu n PRO 92 Ca -0.01 0.73 0.00 0.00 -2.02 0.00 0.00 63.50 62.20 2gfu n PRO 92 Cb 0.63 -2.49 0.00 0.00 -0.02 0.00 0.00 33.50 31.62 2gfu n PRO 92 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2gfu n GLY 93 N 3.39 2.17 3.91 -1.23 0.00 -0.87 -4.99 105.19 107.57 2gfu n GLY 93 Ca 0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 2gfu n GLY 93 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2gfu s ASP 94 N -1.39 6.45 -0.01 1.61 1.47 -1.02 -4.84 116.67 118.93 2gfu s ASP 94 Ca 0.00 0.69 -0.05 0.00 1.18 0.00 0.00 52.55 54.37 2gfu s ASP 94 Cb 0.00 -2.13 -0.04 0.00 -0.34 0.00 0.00 42.92 40.40 2gfu s ASP 94 CO 0.00 -0.17 0.23 -0.76 0.68 0.00 0.00 175.17 175.15 2gfu s LEU 95 N -3.47 4.37 0.08 2.11 2.01 -1.26 -2.14 118.68 120.38 2gfu s LEU 95 Ca 0.43 0.49 0.01 0.00 0.01 0.00 0.00 54.13 55.08 2gfu s LEU 95 Cb -0.11 -2.60 -0.04 0.00 0.01 0.00 0.00 46.19 43.45 2gfu s LEU 95 CO 0.29 0.27 -0.06 0.68 1.01 0.00 0.00 176.35 178.54 2gfu s VAL 96 N -1.28 0.56 -0.25 -1.59 -7.23 -0.85 -2.12 120.40 107.63 2gfu s VAL 96 Ca 0.26 -1.75 -0.08 0.00 -1.81 0.00 0.00 61.98 58.61 2gfu s VAL 96 Cb -0.13 -1.44 -0.03 0.00 0.56 0.00 0.00 36.38 35.34 2gfu s VAL 96 CO 0.16 -0.81 0.08 0.26 -0.31 0.00 0.00 175.10 174.47 2gfu s TRP 97 N -3.27 3.10 -0.01 2.82 0.52 0.07 -0.81 118.94 121.35 2gfu s TRP 97 Ca 0.07 -0.40 0.01 0.00 0.02 0.00 0.00 56.10 55.80 2gfu s TRP 97 Cb 0.03 -2.25 -0.04 0.00 -1.15 0.00 0.00 33.47 30.06 2gfu s TRP 97 CO -0.05 -0.35 0.00 0.00 0.02 0.00 0.00 176.95 176.57 2gfu s ALA 98 N 1.62 3.28 -0.05 0.98 0.00 0.17 -0.11 121.76 127.66 2gfu s ALA 98 Ca 0.06 -0.94 0.06 0.00 0.00 0.00 0.00 51.96 51.14 2gfu s ALA 98 Cb -0.15 -1.35 -0.01 0.00 0.00 0.00 0.00 23.12 21.61 2gfu s ALA 98 CO 0.04 0.64 -0.25 0.21 0.00 0.00 0.00 175.76 176.41 2gfu s LYS 99 N -1.52 2.48 0.03 0.00 2.47 -0.74 -0.90 119.74 121.55 2gfu s LYS 99 Ca 0.19 -0.90 0.05 0.00 -1.56 0.00 0.00 55.97 53.76 2gfu s LYS 99 Cb -0.11 -2.13 -0.02 0.00 -1.46 0.00 0.00 37.83 34.11 2gfu s LYS 99 CO 0.10 0.40 -0.16 1.41 0.16 0.00 0.00 175.35 177.26 2gfu s MET 100 N -0.20 1.08 -0.71 4.03 -2.45 -1.26 -4.80 119.30 114.99 2gfu s MET 100 Ca -0.02 -0.75 -0.26 0.00 -1.25 0.00 0.00 55.69 53.41 2gfu s MET 100 Cb -0.13 -1.10 -0.07 0.00 1.25 0.00 0.00 34.83 34.77 2gfu s MET 100 CO 0.03 0.28 2.17 -2.00 1.05 0.00 0.00 175.02 176.56 2gfu s GLU 101 N -0.99 2.18 0.00 4.11 2.12 -1.26 -1.24 118.70 123.63 2gfu s GLU 101 Ca 0.04 0.54 0.00 0.00 0.36 0.00 0.00 54.97 55.91 2gfu s GLU 101 Cb -0.08 -4.72 0.00 0.00 0.26 0.00 0.00 34.13 29.59 2gfu s GLU 101 CO 0.01 -3.53 0.00 0.41 -0.54 0.00 0.00 175.26 171.61 2gfu n GLY 102 N 6.38 0.93 3.85 -1.50 0.00 -1.26 -5.12 105.19 108.48 2gfu n GLY 102 Ca 0.37 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.17 2gfu n GLY 102 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2gfu s TYR 103 N -2.00 3.18 0.88 1.61 1.51 -0.37 -5.14 117.35 117.02 2gfu s TYR 103 Ca 0.00 -0.09 -0.12 0.00 -1.01 0.00 0.00 57.07 55.85 2gfu s TYR 103 Cb 0.00 -1.44 0.12 0.00 -0.11 0.00 0.00 41.96 40.54 2gfu s TYR 103 CO 0.00 0.51 1.10 -1.25 -1.11 0.00 0.00 175.55 174.80 2gfu s PRO 104 N -3.87 1.36 0.10 -1.71 0.04 -1.26 -4.57 135.00 125.09 2gfu s PRO 104 Ca 0.33 0.61 -0.31 0.00 0.04 0.00 0.00 61.00 61.67 2gfu s PRO 104 Cb -0.08 -1.84 -0.10 0.00 0.04 0.00 0.00 34.50 32.52 2gfu s PRO 104 CO 0.26 -2.12 1.88 0.91 0.04 0.00 0.00 177.00 177.97 2gfu n TRP 105 N -3.76 2.60 -3.89 0.56 7.02 -1.26 -4.50 117.44 114.19 2gfu n TRP 105 Ca 0.07 -0.21 -0.30 0.00 -1.02 0.00 0.00 57.50 56.04 2gfu n TRP 105 Cb 0.57 -2.75 -0.16 0.00 -2.42 0.00 0.00 31.31 26.55 2gfu n TRP 105 CO 0.00 0.00 0.00 -1.58 -2.02 0.00 0.00 177.69 174.09 2gfu s TRP 106 N 3.17 2.20 0.26 -5.99 0.23 -0.08 -4.86 118.94 113.87 2gfu s TRP 106 Ca 0.84 -1.69 -0.31 0.00 -2.03 0.00 0.00 56.10 52.91 2gfu s TRP 106 Cb -0.47 -1.58 -0.11 0.00 0.03 0.00 0.00 33.47 31.33 2gfu s TRP 106 CO 0.39 -0.77 1.61 -1.25 0.96 0.00 0.00 176.95 177.88 2gfu s PRO 107 N 1.46 4.14 0.18 4.98 0.04 -1.26 -0.65 135.00 143.89 2gfu s PRO 107 Ca -0.03 2.54 -0.18 0.00 0.04 0.00 0.00 61.00 63.38 2gfu s PRO 107 Cb -0.18 -3.05 0.03 0.00 0.04 0.00 0.00 34.50 31.33 2gfu s PRO 107 CO -0.08 -0.64 0.52 -1.54 0.04 0.00 0.00 177.00 175.29 2gfu s SER 108 N 0.70 -0.28 -0.19 6.66 1.04 0.01 -4.02 113.70 117.60 2gfu s SER 108 Ca 0.66 -0.42 -0.09 0.00 0.48 0.00 0.00 55.95 56.58 2gfu s SER 108 Cb -0.47 0.57 -0.05 0.00 0.10 0.00 0.00 66.02 66.17 2gfu s SER 108 CO 0.42 -1.02 0.11 -0.22 0.98 0.00 0.00 173.24 173.51 2gfu s LEU 109 N -2.85 4.10 -0.27 2.42 0.20 -0.41 -2.00 118.68 119.86 2gfu s LEU 109 Ca 0.08 0.19 -0.22 0.00 0.69 0.00 0.00 54.13 54.86 2gfu s LEU 109 Cb -0.01 -2.05 -0.01 0.00 -0.43 0.00 0.00 46.19 43.69 2gfu s LEU 109 CO -0.05 0.18 0.73 -0.69 -0.29 0.00 0.00 176.35 176.23 2gfu s VAL 110 N 0.36 4.88 0.18 1.68 1.01 -0.91 -0.78 120.40 126.82 2gfu s VAL 110 Ca 0.07 1.24 0.10 0.00 0.00 0.00 0.00 61.98 63.38 2gfu s VAL 110 Cb -0.11 -4.06 -0.04 0.00 0.00 0.00 0.00 36.38 32.17 2gfu s VAL 110 CO -0.01 -0.11 -0.15 -0.47 0.00 0.00 0.00 175.10 174.36 2gfu s TYR 111 N 2.75 2.51 -0.24 5.22 5.04 0.32 -2.04 117.35 130.90 2gfu s TYR 111 Ca 0.30 -0.27 0.02 0.00 -2.44 0.00 0.00 57.07 54.68 2gfu s TYR 111 Cb -0.15 -1.23 0.05 0.00 0.35 0.00 0.00 41.96 40.97 2gfu s TYR 111 CO 0.10 0.50 -0.12 -0.80 -1.34 0.00 0.00 175.55 173.89 2gfu s ASN 112 N -2.74 4.16 0.54 4.32 -0.87 -1.26 -3.95 114.94 115.13 2gfu s ASN 112 Ca 0.23 -1.18 -0.09 0.00 -1.57 0.00 0.00 52.86 50.25 2gfu s ASN 112 Cb -0.09 -1.55 -0.04 0.00 -0.02 0.00 0.00 41.25 39.55 2gfu s ASN 112 CO 0.13 -0.15 0.91 -2.28 -2.57 0.00 0.00 177.10 173.14 2gfu s HIS 113 N 1.17 3.58 -0.83 2.20 5.65 -1.26 -4.88 115.29 120.92 2gfu s HIS 113 Ca -0.05 1.09 0.00 0.00 0.25 0.00 0.00 55.06 56.35 2gfu s HIS 113 Cb -0.18 -2.54 0.00 0.00 -1.18 0.00 0.00 32.58 28.68 2gfu s HIS 113 CO -0.07 -0.45 0.20 -2.30 -0.65 0.00 0.00 174.74 171.48 2gfu n PRO 114 N -2.33 0.00 -0.89 2.88 -0.02 -1.26 -0.61 135.00 132.77 2gfu n PRO 114 Ca 0.04 0.00 -0.14 0.00 -2.02 0.00 0.00 63.50 61.38 2gfu n PRO 114 Cb 0.54 -1.49 0.17 0.00 -0.02 0.00 0.00 33.50 32.70 2gfu n PRO 114 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 2gfu n PHE 115 N -0.70 2.21 -1.49 6.00 3.72 -1.26 -5.04 117.46 120.90 2gfu n PHE 115 Ca 0.00 -1.35 -0.31 0.00 -0.05 0.00 0.00 57.45 55.74 2gfu n PHE 115 Cb 0.00 -0.72 0.07 0.00 -0.94 0.00 0.00 39.48 37.89 2gfu n PHE 115 CO 0.00 0.00 0.00 0.16 -0.05 0.00 0.00 176.76 176.87 2gfu s ASP 116 N -0.72 4.97 0.00 4.37 1.47 0.22 -4.25 116.67 122.74 2gfu s ASP 116 Ca 0.43 1.59 0.00 0.00 1.18 0.00 0.00 52.55 55.76 2gfu s ASP 116 Cb 0.36 -2.40 0.00 0.00 -0.34 0.00 0.00 42.92 40.53 2gfu s ASP 116 CO 0.09 -1.70 0.00 0.61 0.68 0.00 0.00 175.17 174.85 2gfu n GLY 117 N -1.83 3.10 2.92 2.12 0.00 -1.26 -5.00 105.19 105.24 2gfu n GLY 117 Ca 0.08 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.93 2gfu n GLY 117 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2gfu s THR 118 N -2.69 0.41 0.00 2.61 -4.23 -1.26 -5.08 115.64 105.39 2gfu s THR 118 Ca 0.00 -0.16 0.00 0.00 -1.18 0.00 0.00 61.69 60.35 2gfu s THR 118 Cb 0.00 -0.39 0.00 0.00 1.34 0.00 0.00 72.50 73.45 2gfu s THR 118 CO 0.00 0.15 0.11 2.22 -0.54 0.00 0.00 174.62 176.56 2gfu n PHE 119 N 3.37 0.00 -4.17 3.99 -1.74 -1.26 -4.95 117.46 112.69 2gfu n PHE 119 Ca -0.18 0.00 -0.30 0.00 -0.56 0.00 0.00 57.45 56.41 2gfu n PHE 119 Cb 0.55 0.00 -0.09 0.00 1.52 0.00 0.00 39.48 41.47 2gfu n PHE 119 CO 0.00 0.00 0.00 0.96 -0.56 0.00 0.00 176.76 177.16 2gfu s ILE 120 N -0.14 3.71 0.00 1.97 -4.36 -1.26 -3.55 121.20 117.58 2gfu s ILE 120 Ca 0.00 -1.15 0.00 0.00 -0.26 0.00 0.00 60.65 59.24 2gfu s ILE 120 Cb 0.00 -2.77 -0.00 0.00 1.25 0.00 0.00 42.46 40.94 2gfu s ILE 120 CO 0.00 0.09 -0.01 -0.60 0.24 0.00 0.00 174.94 174.67 2gfu s ARG 121 N -2.32 0.06 -0.10 0.37 3.00 -0.85 -5.02 118.95 114.09 2gfu s ARG 121 Ca 0.24 -0.11 -0.04 0.00 -1.00 0.00 0.00 55.73 54.81 2gfu s ARG 121 Cb -0.11 0.01 0.05 0.00 0.00 0.00 0.00 34.95 34.90 2gfu s ARG 121 CO 0.16 -0.01 0.22 -2.00 0.00 0.00 0.00 175.30 173.68 2gfu s GLU 122 N -0.27 0.15 -0.60 5.12 2.12 -1.26 -0.98 118.70 122.98 2gfu s GLU 122 Ca -0.03 0.55 -0.06 0.00 0.36 0.00 0.00 54.97 55.80 2gfu s GLU 122 Cb -0.02 -0.13 0.16 0.00 0.26 0.00 0.00 34.13 34.40 2gfu s GLU 122 CO -0.00 -0.21 0.44 0.21 -0.54 0.00 0.00 175.26 175.16 2gfu s LYS 123 N 1.63 2.64 0.00 4.30 2.20 -1.02 -4.88 119.74 124.61 2gfu s LYS 123 Ca -0.05 -2.28 0.00 0.00 -0.36 0.00 0.00 55.97 53.28 2gfu s LYS 123 Cb -0.11 -3.86 0.00 0.00 -1.51 0.00 0.00 37.83 32.34 2gfu s LYS 123 CO -0.08 -1.18 0.00 0.41 -0.36 0.00 0.00 175.35 174.14 2gfu n GLY 124 N 3.99 1.02 0.00 5.54 0.00 -1.26 -1.04 105.19 113.43 2gfu n GLY 124 Ca 0.04 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.05 2gfu n GLY 124 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2gfu n LYS 125 N 0.00 0.00 -2.18 1.61 4.81 -1.26 -5.00 118.16 116.14 2gfu n LYS 125 Ca 0.00 0.00 -0.43 0.00 -0.87 0.00 0.00 58.31 57.01 2gfu n LYS 125 Cb 0.00 -0.18 0.00 0.00 0.02 0.00 0.00 35.03 34.87 2gfu n LYS 125 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 2gfu n SER 126 N 0.00 4.49 -4.56 3.14 7.64 -0.21 -4.93 113.62 119.19 2gfu n SER 126 Ca 0.00 -2.92 -0.43 0.00 1.01 0.00 0.00 58.87 56.53 2gfu n SER 126 Cb 0.11 -1.65 -0.05 0.00 -1.01 0.00 0.00 64.21 61.61 2gfu n SER 126 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2gfu s VAL 127 N 2.90 4.64 0.07 0.44 0.11 -1.26 -2.44 120.40 124.86 2gfu s VAL 127 Ca 0.47 0.60 0.08 0.00 -2.93 0.00 0.00 61.98 60.21 2gfu s VAL 127 Cb 0.09 -4.31 -0.03 0.00 -1.53 0.00 0.00 36.38 30.59 2gfu s VAL 127 CO -0.02 -0.67 -0.21 -0.13 -3.33 0.00 0.00 175.10 170.75 2gfu s ARG 128 N 3.33 1.87 0.24 1.54 0.52 -0.15 -1.70 118.95 124.59 2gfu s ARG 128 Ca 0.32 -1.10 0.07 0.00 -0.52 0.00 0.00 55.73 54.49 2gfu s ARG 128 Cb -0.12 -2.10 -0.05 0.00 0.52 0.00 0.00 34.95 33.20 2gfu s ARG 128 CO 0.22 0.51 -0.08 0.14 0.02 0.00 0.00 175.30 176.10 2gfu s VAL 129 N -0.98 1.59 0.12 3.52 -7.23 -1.12 -2.01 120.40 114.30 2gfu s VAL 129 Ca 0.15 -2.14 -0.24 0.00 -1.81 0.00 0.00 61.98 57.93 2gfu s VAL 129 Cb -0.10 -2.27 -0.07 0.00 0.56 0.00 0.00 36.38 34.50 2gfu s VAL 129 CO 0.06 -0.43 0.74 -1.00 -0.31 0.00 0.00 175.10 174.17 2gfu s HIS 130 N -3.06 3.85 0.25 2.82 0.09 -1.23 -2.48 115.29 115.52 2gfu s HIS 130 Ca 0.26 1.54 -0.13 0.00 -0.00 0.00 0.00 55.06 56.73 2gfu s HIS 130 Cb 0.02 -2.74 -0.00 0.00 -0.00 0.00 0.00 32.58 29.85 2gfu s HIS 130 CO 0.09 0.46 0.48 0.14 -0.00 0.00 0.00 174.74 175.91 2gfu s VAL 131 N -0.83 0.00 0.00 -0.90 -7.23 -1.23 -0.52 120.40 109.69 2gfu s VAL 131 Ca 0.35 -1.40 -0.14 0.00 -1.81 0.00 0.00 61.98 58.99 2gfu s VAL 131 Cb -0.22 -2.19 0.02 0.00 0.56 0.00 0.00 36.38 34.55 2gfu s VAL 131 CO 0.24 -0.00 0.29 0.00 -0.31 0.00 0.00 175.10 175.32 2gfu s GLN 132 N -4.02 0.68 -0.24 4.82 -2.07 0.04 -3.40 119.66 115.47 2gfu s GLN 132 Ca 0.22 -0.29 -0.08 0.00 -1.82 0.00 0.00 55.36 53.39 2gfu s GLN 132 Cb -0.01 0.30 -0.04 0.00 -1.09 0.00 0.00 33.01 32.17 2gfu s GLN 132 CO 0.09 -0.19 0.10 -0.06 -1.32 0.00 0.00 175.29 173.90 2gfu s PHE 133 N -1.62 3.15 -0.91 9.60 0.08 -0.05 -1.29 117.98 126.95 2gfu s PHE 133 Ca -0.12 -0.18 -0.09 0.00 0.12 0.00 0.00 56.93 56.66 2gfu s PHE 133 Cb -0.04 -2.24 -0.07 0.00 -0.57 0.00 0.00 43.02 40.10 2gfu s PHE 133 CO 0.02 -0.20 2.08 1.19 -0.10 0.00 0.00 175.22 178.21 2gfu n PHE 134 N 4.66 1.52 0.00 0.36 3.72 -1.26 -1.84 117.46 124.63 2gfu n PHE 134 Ca -0.16 -1.96 0.00 0.00 -0.05 0.00 0.00 57.45 55.28 2gfu n PHE 134 Cb 0.52 -1.70 0.00 0.00 -0.94 0.00 0.00 39.48 37.35 2gfu n PHE 134 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 2gfu n ASP 135 N 4.92 0.00 -0.09 4.37 -0.08 -1.26 -4.60 116.55 119.80 2gfu n ASP 135 Ca 0.46 0.00 -0.16 0.00 -1.51 0.00 0.00 54.79 53.58 2gfu n ASP 135 Cb 0.19 0.00 -0.07 0.00 2.34 0.00 0.00 41.12 43.58 2gfu n ASP 135 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 2gfu n ASP 136 N 0.00 1.97 0.12 1.67 2.03 -1.26 -4.87 116.55 116.21 2gfu n ASP 136 Ca 0.00 0.07 -0.24 0.00 0.52 0.00 0.00 54.79 55.14 2gfu n ASP 136 Cb 0.00 -0.42 -0.16 0.00 -0.72 0.00 0.00 41.12 39.83 2gfu n ASP 136 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 2gfu h SER 137 N -0.34 0.76 -4.33 1.67 0.02 -1.96 -3.47 113.55 105.89 2gfu h SER 137 Ca -0.44 -0.93 -0.51 0.00 -0.84 0.00 0.00 61.79 59.08 2gfu h SER 137 Cb 1.51 -0.25 0.09 0.00 0.14 0.00 0.00 62.40 63.90 2gfu h SER 137 CO -0.18 1.71 0.37 -2.16 -1.14 0.00 0.00 176.83 175.43 2gfu s PRO 138 N -2.58 2.97 -0.26 3.45 0.04 -1.26 -4.96 135.00 132.39 2gfu s PRO 138 Ca -0.12 0.98 -0.22 0.00 0.04 0.00 0.00 61.00 61.68 2gfu s PRO 138 Cb 0.04 -1.99 -0.01 0.00 0.04 0.00 0.00 34.50 32.58 2gfu s PRO 138 CO 0.91 -1.08 0.71 0.95 0.04 0.00 0.00 177.00 178.53 2gfu s THR 139 N -3.00 4.91 0.14 1.26 -4.23 -0.77 -4.90 115.64 109.06 2gfu s THR 139 Ca 0.58 1.25 0.06 0.00 -1.18 0.00 0.00 61.69 62.40 2gfu s THR 139 Cb -0.14 -4.02 -0.04 0.00 1.34 0.00 0.00 72.50 69.63 2gfu s THR 139 CO 0.53 -0.06 0.00 -0.60 -0.54 0.00 0.00 174.62 173.96 2gfu s ARG 140 N 2.68 2.47 0.34 3.99 3.52 -1.26 -0.87 118.95 129.81 2gfu s ARG 140 Ca 0.30 -1.00 -0.18 0.00 -0.13 0.00 0.00 55.73 54.72 2gfu s ARG 140 Cb -0.15 -2.43 0.05 0.00 -1.56 0.00 0.00 34.95 30.86 2gfu s ARG 140 CO 0.09 0.49 0.82 0.20 -0.81 0.00 0.00 175.30 176.09 2gfu s GLY 141 N -2.71 0.25 -0.45 8.12 0.00 -1.22 -5.04 107.32 106.26 2gfu s GLY 141 Ca 0.27 -0.60 -0.20 0.00 0.00 0.00 0.00 44.72 44.18 2gfu s GLY 141 CO 0.19 0.10 0.64 -0.98 0.00 0.00 0.00 173.10 173.05 2gfu s TRP 142 N -2.54 3.06 0.39 1.90 0.52 -1.26 -3.48 118.94 117.52 2gfu s TRP 142 Ca 0.16 -0.15 0.03 0.00 0.02 0.00 0.00 56.10 56.15 2gfu s TRP 142 Cb -0.05 -3.39 -0.01 0.00 -1.15 0.00 0.00 33.47 28.88 2gfu s TRP 142 CO 0.10 -0.91 0.57 0.14 0.02 0.00 0.00 176.95 176.87 2gfu s VAL 143 N 2.80 4.08 -0.45 4.03 -7.23 -1.03 -4.93 120.40 117.67 2gfu s VAL 143 Ca 0.21 -0.72 -0.29 0.00 -1.81 0.00 0.00 61.98 59.37 2gfu s VAL 143 Cb -0.15 -3.47 0.02 0.00 0.56 0.00 0.00 36.38 33.34 2gfu s VAL 143 CO 0.17 -0.26 1.28 -0.44 -0.31 0.00 0.00 175.10 175.55 2gfu s SER 144 N -4.19 6.47 0.01 4.85 0.01 -1.26 -2.77 113.70 116.82 2gfu s SER 144 Ca 0.46 0.63 0.16 0.00 1.31 0.00 0.00 55.95 58.51 2gfu s SER 144 Cb -0.10 -2.54 0.68 0.00 0.21 0.00 0.00 66.02 64.27 2gfu s SER 144 CO 0.35 -1.36 1.51 2.29 0.41 0.00 0.00 173.24 176.44 2gfu n LYS 145 N 8.00 0.01 0.12 12.44 0.00 -0.69 -1.19 118.16 136.84 2gfu n LYS 145 Ca 0.14 0.24 0.13 0.00 -0.00 0.00 0.00 58.31 58.82 2gfu n LYS 145 Cb 0.49 -1.52 0.45 0.00 -0.00 0.00 0.00 35.03 34.44 2gfu n LYS 145 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.40 180.29 2gfu n ARG 146 N -1.54 0.23 -0.03 -1.58 1.85 -1.26 -2.59 116.66 111.73 2gfu n ARG 146 Ca 0.04 0.31 0.12 0.00 -1.00 0.00 0.00 57.85 57.31 2gfu n ARG 146 Cb 0.19 -1.83 0.12 0.00 -1.05 0.00 0.00 32.46 29.88 2gfu n ARG 146 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 2gfu n LEU 147 N -2.25 3.04 -4.66 2.89 4.77 -0.34 -4.87 117.00 115.58 2gfu n LEU 147 Ca 0.04 -1.08 -0.38 0.00 -0.03 0.00 0.00 56.01 54.56 2gfu n LEU 147 Cb 0.34 -0.04 -0.08 0.00 -2.33 0.00 0.00 43.42 41.31 2gfu n LEU 147 CO 0.26 0.53 0.01 -0.76 -1.33 0.00 0.00 177.39 176.10 2gfu s LEU 148 N -1.87 4.13 0.29 2.23 1.43 -1.07 -1.79 118.68 122.04 2gfu s LEU 148 Ca 0.29 0.37 0.10 0.00 -1.03 0.00 0.00 54.13 53.86 2gfu s LEU 148 Cb 0.20 -2.38 -0.05 0.00 0.03 0.00 0.00 46.19 44.00 2gfu s LEU 148 CO 0.30 -0.04 -0.01 -0.54 0.23 0.00 0.00 176.35 176.29 2gfu s LYS 149 N 1.27 2.16 0.44 1.70 1.02 0.85 -4.64 119.74 122.54 2gfu s LYS 149 Ca 0.15 -1.56 -0.21 0.00 0.02 0.00 0.00 55.97 54.37 2gfu s LYS 149 Cb -0.14 -2.05 -0.11 0.00 -0.52 0.00 0.00 37.83 35.01 2gfu s LYS 149 CO 0.07 0.28 0.96 -1.25 -0.92 0.00 0.00 175.35 174.49 2gfu s PRO 150 N -3.68 4.17 0.16 -1.68 0.04 -1.26 -0.75 135.00 131.99 2gfu s PRO 150 Ca 0.33 1.17 0.08 0.00 0.04 0.00 0.00 61.00 62.62 2gfu s PRO 150 Cb -0.04 -2.19 -0.04 0.00 0.04 0.00 0.00 34.50 32.27 2gfu s PRO 150 CO 0.19 -0.09 -0.08 -0.47 0.04 0.00 0.00 177.00 176.60 2gfu s TYR 151 N -2.12 2.71 0.00 0.56 5.04 -0.90 -4.57 117.35 118.06 2gfu s TYR 151 Ca 0.62 -0.19 0.00 0.00 -2.44 0.00 0.00 57.07 55.07 2gfu s TYR 151 Cb -0.11 -1.35 0.00 0.00 0.35 0.00 0.00 41.96 40.85 2gfu s TYR 151 CO 0.15 0.49 0.00 -2.37 -1.34 0.00 0.00 175.55 172.47 2gfu n THR 152 N 0.22 0.00 -3.62 4.34 5.66 -1.26 -4.75 114.28 114.87 2gfu n THR 152 Ca -0.11 0.00 -0.23 0.00 -3.05 0.00 0.00 64.05 60.66 2gfu n THR 152 Cb 0.54 0.00 -0.17 0.00 -1.55 0.00 0.00 70.33 69.16 2gfu n THR 152 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 2gfu s GLY 153 N -0.25 0.25 0.11 1.09 0.00 -1.26 -4.97 107.32 102.29 2gfu s GLY 153 Ca 0.00 -0.03 0.16 0.00 0.00 0.00 0.00 44.72 44.85 2gfu s GLY 153 CO 0.00 1.67 1.49 1.44 0.00 0.00 0.00 173.10 177.70 2gfu n SER 154 N 5.29 0.27 -0.14 1.64 7.64 -1.26 -1.44 113.62 125.62 2gfu n SER 154 Ca -0.05 0.58 0.11 0.00 1.01 0.00 0.00 58.87 60.52 2gfu n SER 154 Cb 0.49 -0.63 0.08 0.00 -1.01 0.00 0.00 64.21 63.14 2gfu n SER 154 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 2gfu n LYS 155 N -1.81 0.38 -1.73 1.43 0.00 -1.26 -4.42 118.16 110.75 2gfu n LYS 155 Ca 0.02 -0.28 -0.42 0.00 -0.00 0.00 0.00 58.31 57.62 2gfu n LYS 155 Cb 0.15 -1.49 -0.02 0.00 -0.00 0.00 0.00 35.03 33.67 2gfu n LYS 155 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 2gfu n SER 156 N -1.06 3.48 -0.07 -5.58 7.64 -0.52 -4.83 113.62 112.67 2gfu n SER 156 Ca 0.07 1.16 0.18 0.00 1.01 0.00 0.00 58.87 61.29 2gfu n SER 156 Cb 0.36 -1.55 0.61 0.00 -1.01 0.00 0.00 64.21 62.63 2gfu n SER 156 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 2gfu h LYS 157 N 4.22 0.17 0.00 1.43 3.64 -1.93 0.54 116.57 124.64 2gfu h LYS 157 Ca -0.47 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.90 2gfu h LYS 157 Cb 1.24 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 33.03 2gfu h LYS 157 CO 0.75 0.11 0.00 0.93 -2.27 0.00 0.00 179.45 178.97 2gfu h GLU 158 N 0.18 0.00 -0.11 1.90 3.07 -1.91 -3.03 114.58 114.67 2gfu h GLU 158 Ca 0.30 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.16 2gfu h GLU 158 Cb 0.94 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.85 2gfu h GLU 158 CO -0.05 0.00 0.00 0.00 -1.40 0.00 0.00 179.01 177.56 2gfu n ALA 159 N -2.06 2.50 -4.10 3.43 0.00 0.19 -1.29 120.51 119.18 2gfu n ALA 159 Ca 0.02 -0.62 -0.18 0.00 0.00 0.00 0.00 53.44 52.66 2gfu n ALA 159 Cb 0.40 -0.99 -0.05 0.00 0.00 0.00 0.00 19.45 18.80 2gfu n ALA 159 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2gfu n GLN 160 N 0.78 0.62 -1.86 0.00 -0.00 -1.03 -4.76 117.38 111.14 2gfu n GLN 160 Ca 0.17 -2.33 -0.42 0.00 -0.00 0.00 0.00 57.00 54.42 2gfu n GLN 160 Cb 0.47 1.37 -0.03 0.00 -0.00 0.00 0.00 30.24 32.04 2gfu n GLN 160 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.06 177.27 2gfu s LYS 161 N -3.03 4.17 0.00 2.61 2.20 -1.26 -0.43 119.74 123.99 2gfu s LYS 161 Ca 0.16 2.40 0.00 0.00 -0.36 0.00 0.00 55.97 58.17 2gfu s LYS 161 Cb 0.01 -3.87 0.00 0.00 -1.51 0.00 0.00 37.83 32.45 2gfu s LYS 161 CO 0.11 -0.84 0.00 0.41 -0.36 0.00 0.00 175.35 174.67 2gfu n GLY 162 N 4.22 0.22 3.83 5.54 0.00 -1.26 -5.06 105.19 112.68 2gfu n GLY 162 Ca 0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.85 2gfu n GLY 162 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2gfu s GLY 163 N -1.80 2.52 0.26 -0.02 0.00 0.42 -4.92 107.32 103.77 2gfu s GLY 163 Ca 0.00 0.07 -0.02 0.00 0.00 0.00 0.00 44.72 44.77 2gfu s GLY 163 CO 0.00 0.38 1.79 0.84 0.00 0.00 0.00 173.10 176.11 2gfu h HIS 164 N 3.17 0.87 0.00 1.90 2.76 -1.79 -3.10 115.15 118.96 2gfu h HIS 164 Ca -0.48 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 57.72 2gfu h HIS 164 Cb 1.19 -0.26 0.00 0.00 1.55 0.00 0.00 27.41 29.89 2gfu h HIS 164 CO 0.63 0.30 -0.93 1.97 -1.30 0.00 0.00 177.93 178.60 2gfu n PHE 165 N -4.78 0.00 -2.22 5.26 1.16 -0.90 -4.87 117.46 111.11 2gfu n PHE 165 Ca 0.16 0.00 -0.34 0.00 -1.87 0.00 0.00 57.45 55.40 2gfu n PHE 165 Cb 0.36 -0.03 -0.04 0.00 -1.61 0.00 0.00 39.48 38.16 2gfu n PHE 165 CO 0.00 0.00 0.00 -0.47 -1.87 0.00 0.00 176.76 174.42 2gfu s TYR 166 N -2.77 2.01 -0.33 2.97 5.04 -0.41 -4.75 117.35 119.11 2gfu s TYR 166 Ca 0.06 0.23 -0.02 0.00 -2.44 0.00 0.00 57.07 54.89 2gfu s TYR 166 Cb 0.14 -4.28 0.06 0.00 0.35 0.00 0.00 41.96 38.24 2gfu s TYR 166 CO 0.76 -1.94 0.06 -1.12 -1.34 0.00 0.00 175.55 171.97 2gfu s SER 167 N 6.85 5.03 -0.63 4.32 0.01 -1.26 -4.77 113.70 123.24 2gfu s SER 167 Ca 0.60 -1.46 -0.23 0.00 1.31 0.00 0.00 55.95 56.18 2gfu s SER 167 Cb -0.06 -1.76 0.07 0.00 0.21 0.00 0.00 66.02 64.48 2gfu s SER 167 CO 0.03 -0.34 0.94 0.00 0.41 0.00 0.00 173.24 174.28 2gfu s ALA 168 N 1.24 3.14 0.17 1.44 0.00 -1.26 -4.75 121.76 121.73 2gfu s ALA 168 Ca -0.01 -1.74 0.11 0.00 0.00 0.00 0.00 51.96 50.31 2gfu s ALA 168 Cb -0.20 -3.81 -0.04 0.00 0.00 0.00 0.00 23.12 19.07 2gfu s ALA 168 CO -0.02 -2.66 -0.23 0.21 0.00 0.00 0.00 175.76 173.06 2gfu s LYS 169 N 3.95 1.41 0.24 0.00 2.20 -1.26 -5.07 119.74 121.21 2gfu s LYS 169 Ca 0.23 -1.43 -0.05 0.00 -0.36 0.00 0.00 55.97 54.36 2gfu s LYS 169 Cb -0.16 -1.72 0.37 0.00 -1.51 0.00 0.00 37.83 34.81 2gfu s LYS 169 CO 0.12 0.38 1.82 -1.35 -0.36 0.00 0.00 175.35 175.96 2gfu h PRO 170 N 3.43 0.83 -0.54 4.03 0.11 -2.00 -2.72 132.00 135.14 2gfu h PRO 170 Ca -0.46 -0.05 0.01 0.00 0.11 0.00 0.00 66.00 65.61 2gfu h PRO 170 Cb 1.20 -0.19 -0.03 0.00 0.11 0.00 0.00 31.00 32.09 2gfu h PRO 170 CO 0.46 0.55 0.36 1.05 -0.21 0.00 0.00 178.00 180.21 2gfu h GLU 171 N 0.85 0.69 -0.15 1.05 4.11 -1.93 0.31 114.58 119.52 2gfu h GLU 171 Ca 0.39 -0.04 -0.13 0.00 0.07 0.00 0.00 59.36 59.64 2gfu h GLU 171 Cb 0.30 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.39 2gfu h GLU 171 CO -0.22 0.46 -0.43 0.82 0.07 0.00 0.00 179.01 179.70 2gfu h ILE 172 N 0.71 1.35 -0.12 -1.06 1.08 -1.79 -2.17 117.51 115.51 2gfu h ILE 172 Ca 0.20 -1.71 -0.04 0.00 -0.39 0.00 0.00 64.86 62.93 2gfu h ILE 172 Cb -0.04 2.03 -0.00 0.00 -3.07 0.00 0.00 36.82 35.74 2gfu h ILE 172 CO -0.05 0.52 -0.07 -0.07 -0.69 0.00 0.00 178.15 177.79 2gfu h LEU 173 N 0.19 0.27 -1.48 1.44 3.38 -1.20 -2.58 115.31 115.33 2gfu h LEU 173 Ca -0.01 -0.43 0.03 0.00 0.09 0.00 0.00 57.88 57.56 2gfu h LEU 173 Cb 1.05 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.70 2gfu h LEU 173 CO 0.09 0.65 0.39 -0.09 0.09 0.00 0.00 178.44 179.56 2gfu h ARG 174 N -0.10 0.65 -0.26 1.13 9.65 -0.48 0.10 114.38 125.08 2gfu h ARG 174 Ca 0.03 -0.04 -0.14 0.00 -1.10 0.00 0.00 59.98 58.72 2gfu h ARG 174 Cb 0.55 -0.15 -0.01 0.00 -1.39 0.00 0.00 29.97 28.97 2gfu h ARG 174 CO 0.02 0.43 -0.42 0.00 2.80 0.00 0.00 179.97 182.81 2gfu h ALA 175 N 1.66 0.78 -0.23 2.80 0.00 -1.44 0.13 119.26 122.95 2gfu h ALA 175 Ca 0.23 -0.45 -0.13 0.00 0.00 0.00 0.00 54.91 54.57 2gfu h ALA 175 Cb 0.10 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 2gfu h ALA 175 CO -0.06 0.66 -0.39 0.52 0.00 0.00 0.00 179.25 179.97 2gfu h MET 176 N 0.52 0.54 -0.04 0.00 2.86 -0.87 -0.00 114.93 117.95 2gfu h MET 176 Ca 0.04 -0.27 -0.02 0.00 -2.06 0.00 0.00 59.70 57.39 2gfu h MET 176 Cb 0.94 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.60 2gfu h MET 176 CO 0.08 0.85 -0.04 1.96 1.06 0.00 0.00 176.91 180.82 2gfu h GLN 177 N 0.45 0.09 -0.12 1.72 4.20 -0.66 -0.86 115.11 119.94 2gfu h GLN 177 Ca 0.04 -0.05 -0.02 0.00 0.06 0.00 0.00 58.65 58.68 2gfu h GLN 177 Cb 0.88 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.66 2gfu h GLN 177 CO 0.08 0.57 -0.01 -0.09 -0.67 0.00 0.00 178.83 178.71 2gfu h ARG 178 N -0.38 0.23 -0.02 1.46 2.43 -0.84 -1.80 114.38 115.46 2gfu h ARG 178 Ca 0.01 -0.08 -0.06 0.00 -0.81 0.00 0.00 59.98 59.04 2gfu h ARG 178 Cb 0.55 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.08 2gfu h ARG 178 CO 0.01 0.49 -0.25 0.00 -1.51 0.00 0.00 179.97 178.70 2gfu h ALA 179 N 0.73 1.55 0.01 2.80 0.00 -1.11 -2.68 119.26 120.56 2gfu h ALA 179 Ca 0.03 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 2gfu h ALA 179 Cb 0.39 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.13 2gfu h ALA 179 CO 0.01 0.34 -0.00 0.22 0.00 0.00 0.00 179.25 179.81 2gfu h ASP 180 N 0.03 -0.01 -0.41 0.00 3.58 -0.96 -1.69 116.42 116.96 2gfu h ASP 180 Ca 0.00 -0.19 0.02 0.00 0.42 0.00 0.00 57.03 57.28 2gfu h ASP 180 Cb 0.46 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.50 2gfu h ASP 180 CO 0.03 0.19 0.27 1.05 -2.88 0.00 0.00 179.24 177.90 2gfu h GLU 181 N -0.20 0.48 -0.14 0.28 4.11 -1.27 0.92 114.58 118.76 2gfu h GLU 181 Ca -0.00 -0.03 -0.22 0.00 0.07 0.00 0.00 59.36 59.18 2gfu h GLU 181 Cb 0.20 -0.11 0.01 0.00 0.50 0.00 0.00 28.75 29.35 2gfu h GLU 181 CO 0.00 0.32 -0.77 0.00 0.07 0.00 0.00 179.01 178.63 2gfu h ALA 182 N 1.76 0.38 0.19 1.06 0.00 -1.40 -2.63 119.26 118.61 2gfu h ALA 182 Ca 0.16 -0.60 -0.31 0.00 0.00 0.00 0.00 54.91 54.15 2gfu h ALA 182 Cb 0.03 -0.02 0.03 0.00 0.00 0.00 0.00 17.79 17.82 2gfu h ALA 182 CO -0.04 0.70 -1.37 1.37 0.00 0.00 0.00 179.25 179.92 2gfu h LEU 183 N 0.49 0.74 0.00 0.00 8.10 -1.11 -3.30 115.31 120.24 2gfu h LEU 183 Ca -0.05 -0.77 0.00 0.00 0.11 0.00 0.00 57.88 57.17 2gfu h LEU 183 Cb 1.38 -0.24 0.00 0.00 -0.44 0.00 0.00 40.66 41.36 2gfu h LEU 183 CO 0.15 1.59 -0.63 -0.55 -4.11 0.00 0.00 178.44 174.89 2gfu h ASN 184 N 0.16 0.00 0.00 0.17 -1.07 -0.97 -3.45 115.58 110.42 2gfu h ASN 184 Ca -0.21 -0.13 0.00 0.00 0.07 0.00 0.00 56.30 56.03 2gfu h ASN 184 Cb 2.06 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 38.31 2gfu h ASN 184 CO 0.25 0.06 0.00 0.29 0.07 0.00 0.00 177.43 178.10 2gfu n LYS 185 N -2.36 0.00 -4.13 4.14 5.02 -0.99 -5.03 118.16 114.82 2gfu n LYS 185 Ca 0.03 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.20 2gfu n LYS 185 Cb 0.48 0.00 -0.11 0.00 -0.02 0.00 0.00 35.03 35.38 2gfu n LYS 185 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2gfu s ASP 186 N 0.70 1.03 0.41 4.39 1.01 -1.24 -5.00 116.67 117.97 2gfu s ASP 186 Ca 0.00 -0.83 0.18 0.00 0.71 0.00 0.00 52.55 52.61 2gfu s ASP 186 Cb 0.00 0.07 1.08 0.00 1.01 0.00 0.00 42.92 45.09 2gfu s ASP 186 CO 0.00 -0.36 1.83 0.11 0.21 0.00 0.00 175.17 176.96 2gfu h LYS 187 N 3.57 0.40 -0.92 8.23 1.57 -1.89 -1.12 116.57 126.42 2gfu h LYS 187 Ca -0.36 -0.02 0.26 0.00 -1.87 0.00 0.00 60.65 58.66 2gfu h LYS 187 Cb 1.18 -0.09 -0.04 0.00 0.08 0.00 0.00 32.23 33.35 2gfu h LYS 187 CO 0.55 0.26 0.65 0.97 -0.57 0.00 0.00 179.45 181.32 2gfu h ILE 188 N 0.41 0.56 -0.13 1.86 6.09 -1.96 -1.58 117.51 122.76 2gfu h ILE 188 Ca 0.50 -0.03 -0.19 0.00 -1.37 0.00 0.00 64.86 63.77 2gfu h ILE 188 Cb 1.26 0.47 0.00 0.00 0.47 0.00 0.00 36.82 39.02 2gfu h ILE 188 CO -0.21 0.02 -0.71 0.11 -3.07 0.00 0.00 178.15 174.29 2gfu h LYS 189 N 0.09 0.58 -0.03 2.19 6.56 -1.54 -2.39 116.57 122.02 2gfu h LYS 189 Ca 0.45 -0.45 -0.18 0.00 -1.06 0.00 0.00 60.65 59.41 2gfu h LYS 189 Cb 1.64 0.09 0.01 0.00 -0.57 0.00 0.00 32.23 33.41 2gfu h LYS 189 CO -0.05 1.08 -0.69 0.07 -2.06 0.00 0.00 179.45 177.80 2gfu h ARG 190 N 0.41 0.52 0.00 3.15 0.11 -1.55 -3.35 114.38 113.67 2gfu h ARG 190 Ca -0.03 -0.52 0.00 0.00 0.10 0.00 0.00 59.98 59.53 2gfu h ARG 190 Cb 1.30 0.14 0.00 0.00 1.11 0.00 0.00 29.97 32.52 2gfu h ARG 190 CO 0.13 1.15 0.00 -0.07 0.10 0.00 0.00 179.97 181.29 2gfu h LEU 191 N 0.09 0.00 -1.23 0.08 3.38 -1.42 0.30 115.31 116.50 2gfu h LEU 191 Ca -0.08 0.00 0.11 0.00 0.09 0.00 0.00 57.88 58.01 2gfu h LEU 191 Cb 1.37 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 42.05 2gfu h LEU 191 CO 0.14 0.00 0.57 -0.08 0.09 0.00 0.00 178.44 179.16 2gfu h GLU 192 N 0.00 0.79 0.00 1.13 4.81 -1.56 -3.25 114.58 116.50 2gfu h GLU 192 Ca 0.00 -0.05 -0.42 0.00 -0.13 0.00 0.00 59.36 58.76 2gfu h GLU 192 Cb 0.64 -0.18 -0.07 0.00 0.63 0.00 0.00 28.75 29.78 2gfu h GLU 192 CO 0.00 0.52 -2.44 1.28 -0.73 0.00 0.00 179.01 177.64 2gfu n LEU 193 N -4.54 2.38 0.00 1.64 4.77 -0.98 -4.86 117.00 115.41 2gfu n LEU 193 Ca 0.16 0.15 0.00 0.00 -0.03 0.00 0.00 56.01 56.29 2gfu n LEU 193 Cb 0.36 -0.87 0.00 0.00 -2.33 0.00 0.00 43.42 40.58 2gfu n LEU 193 CO 0.30 0.72 0.00 0.00 -1.33 0.00 0.00 177.39 177.08 2gfu n ALA 194 N -3.77 0.00 -0.21 -1.18 0.00 0.10 -0.79 120.51 114.66 2gfu n ALA 194 Ca -0.49 0.00 0.03 0.00 0.00 0.00 0.00 53.44 52.98 2gfu n ALA 194 Cb 0.93 0.00 0.07 0.00 0.00 0.00 0.00 19.45 20.45 2gfu n ALA 194 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2gfu n VAL 195 N 0.00 1.16 -1.82 0.00 0.24 -1.26 -4.90 118.33 111.74 2gfu n VAL 195 Ca 0.00 -1.17 -0.01 0.00 -2.04 0.00 0.00 64.34 61.12 2gfu n VAL 195 Cb 0.00 0.39 0.00 0.00 -1.47 0.00 0.00 33.84 32.76 2gfu n VAL 195 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 2gfu n SER 196 N -0.29 -3.07 -4.84 -1.34 7.64 0.03 -4.47 113.62 107.27 2gfu n SER 196 Ca 0.06 -0.06 -0.35 0.00 1.01 0.00 0.00 58.87 59.53 2gfu n SER 196 Cb 0.37 -1.72 -0.06 0.00 -1.01 0.00 0.00 64.21 61.80 2gfu n SER 196 CO 0.00 0.00 0.00 1.51 -3.01 0.00 0.00 175.04 173.54 2gfu s ASP 197 N -2.49 6.89 0.00 6.43 1.47 -0.21 -4.90 116.67 123.86 2gfu s ASP 197 Ca 0.03 1.18 0.00 0.00 1.18 0.00 0.00 52.55 54.94 2gfu s ASP 197 Cb -0.00 -2.33 0.00 0.00 -0.34 0.00 0.00 42.92 40.25 2gfu s ASP 197 CO 0.15 0.07 0.00 -0.62 0.68 0.00 0.00 175.17 175.45 2gfu n GLU 198 N 0.72 0.00 -0.87 2.11 4.71 -1.26 -4.55 120.64 121.50 2gfu n GLU 198 Ca -0.04 0.00 -0.34 0.00 -0.01 0.00 0.00 57.16 56.77 2gfu n GLU 198 Cb 0.52 0.00 -0.05 0.00 -1.01 0.00 0.00 31.44 30.90 2gfu n GLU 198 CO 0.00 0.00 0.00 -2.30 0.09 0.00 0.00 177.13 174.92 2gfu n PRO 199 N -0.33 1.41 0.00 3.49 -0.02 -1.26 -3.93 135.00 134.35 2gfu n PRO 199 Ca 0.00 -1.54 0.00 0.00 -2.02 0.00 0.00 63.50 59.94 2gfu n PRO 199 Cb 0.00 -2.67 0.00 0.00 -0.02 0.00 0.00 33.50 30.81 2gfu n PRO 199 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 2gfu n SER 200 N 6.47 0.00 -0.95 2.55 3.41 -1.26 -5.31 113.62 118.53 2gfu n SER 200 Ca 0.44 0.00 0.12 0.00 -0.26 0.00 0.00 58.87 59.17 2gfu n SER 200 Cb 0.29 0.00 0.11 0.00 -0.26 0.00 0.00 64.21 64.35 2gfu n SER 200 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04