#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 7.35 -3.28 3.14 0.00 -1.26 -4.90 120.51 121.57 2gfu n ALA 69 Ca 0.00 -3.62 -0.35 0.00 0.00 0.00 0.00 53.44 49.47 2gfu n ALA 69 Cb 0.00 -3.32 -0.13 0.00 0.00 0.00 0.00 19.45 16.00 2gfu n ALA 69 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2gfu s LYS 70 N 1.85 3.49 0.06 0.00 -0.14 -1.26 -5.12 119.74 118.62 2gfu s LYS 70 Ca 0.66 -0.58 0.01 0.00 -1.36 0.00 0.00 55.97 54.70 2gfu s LYS 70 Cb 0.18 -3.01 -0.04 0.00 -1.68 0.00 0.00 37.83 33.27 2gfu s LYS 70 CO -0.07 -0.07 0.13 1.21 -0.76 0.00 0.00 175.35 175.80 2gfu s ASN 71 N 1.18 5.91 0.00 2.83 2.47 -1.26 -5.03 114.94 121.04 2gfu s ASN 71 Ca 0.03 0.14 0.05 0.00 0.42 0.00 0.00 52.86 53.49 2gfu s ASN 71 Cb -0.14 -1.71 0.31 0.00 -1.45 0.00 0.00 41.25 38.25 2gfu s ASN 71 CO -0.00 0.19 0.79 0.00 -3.72 0.00 0.00 177.10 174.35 2gfu n LEU 72 N 0.52 0.00 0.00 3.21 -0.00 -1.26 -1.69 117.00 117.78 2gfu n LEU 72 Ca -0.08 0.01 0.11 0.00 -0.00 0.00 0.00 56.01 56.05 2gfu n LEU 72 Cb 0.52 -0.01 -0.04 0.00 -0.00 0.00 0.00 43.42 43.89 2gfu n LEU 72 CO 0.46 -0.01 -0.02 -0.46 -0.00 0.00 0.00 177.39 177.37 2gfu n ASN 73 N -1.01 0.77 0.00 1.45 6.94 -1.26 -5.01 115.26 117.14 2gfu n ASN 73 Ca 0.04 -0.67 0.00 0.00 -0.02 0.00 0.00 54.58 53.93 2gfu n ASN 73 Cb 0.02 0.93 0.00 0.00 -2.36 0.00 0.00 39.78 38.37 2gfu n ASN 73 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2gfu n GLY 74 N 1.46 0.15 0.00 4.83 0.00 -0.68 -1.60 105.19 109.35 2gfu n GLY 74 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 -1.88 0.85 3.45 -0.02 0.00 -1.26 -5.05 105.19 101.27 2gfu n GLY 75 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 2gfu n GLY 75 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2gfu n LEU 76 N 0.00 5.25 0.21 0.99 4.77 -0.63 -4.53 117.00 123.06 2gfu n LEU 76 Ca 0.00 -4.25 0.08 0.00 -0.03 0.00 0.00 56.01 51.81 2gfu n LEU 76 Cb 0.00 -1.66 0.41 0.00 -2.33 0.00 0.00 43.42 39.84 2gfu n LEU 76 CO 0.00 0.56 0.75 0.08 -1.33 0.00 0.00 177.39 177.45 2gfu h ARG 77 N 7.18 0.00 0.00 3.23 0.11 -1.97 -3.44 114.38 119.48 2gfu h ARG 77 Ca 0.38 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.46 2gfu h ARG 77 Cb 0.85 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.93 2gfu h ARG 77 CO 1.37 0.29 0.00 -2.13 0.10 0.00 0.00 179.97 179.61 2gfu n ARG 78 N -3.50 0.00 0.00 0.08 3.00 -1.26 -5.11 116.66 109.87 2gfu n ARG 78 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 2gfu n ARG 78 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.91 2gfu n ARG 78 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.63 176.50 2gfu n SER 79 N 0.00 3.29 -2.14 6.15 3.41 -1.26 -5.07 113.62 117.99 2gfu n SER 79 Ca 0.00 0.00 -0.08 0.00 -0.26 0.00 0.00 58.87 58.53 2gfu n SER 79 Cb 0.00 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 63.94 2gfu n SER 79 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 2gfu n VAL 80 N 0.00 -0.28 -4.79 -3.33 0.24 -1.26 -4.58 118.33 104.34 2gfu n VAL 80 Ca 0.00 0.00 -0.26 0.00 -2.04 0.00 0.00 64.34 62.04 2gfu n VAL 80 Cb 0.00 -1.02 -0.15 0.00 -1.47 0.00 0.00 33.84 31.20 2gfu n VAL 80 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2gfu s ALA 81 N -2.20 1.70 -1.18 2.33 0.00 -1.26 -5.04 121.76 116.11 2gfu s ALA 81 Ca 0.00 -0.96 -0.17 0.00 0.00 0.00 0.00 51.96 50.83 2gfu s ALA 81 Cb 0.00 -0.38 -0.05 0.00 0.00 0.00 0.00 23.12 22.70 2gfu s ALA 81 CO 0.00 0.40 2.15 -0.35 0.00 0.00 0.00 175.76 177.95 2gfu n PRO 82 N 2.18 2.34 0.00 0.00 -0.04 -1.26 -2.37 135.00 135.86 2gfu n PRO 82 Ca -0.16 -2.24 0.00 0.00 -0.04 0.00 0.00 63.50 61.06 2gfu n PRO 82 Cb 0.53 -3.08 0.00 0.00 -0.04 0.00 0.00 33.50 30.91 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 6.41 0.45 -2.86 0.55 0.00 -1.26 -5.03 120.51 118.77 2gfu n ALA 83 Ca 0.52 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.56 2gfu n ALA 83 Cb 0.38 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.71 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 -1.00 3.26 -1.37 0.00 0.00 -1.00 -5.02 121.76 116.63 2gfu s ALA 84 Ca 0.00 -1.63 -0.09 0.00 0.00 0.00 0.00 51.96 50.24 2gfu s ALA 84 Cb 0.00 -2.51 0.10 0.00 0.00 0.00 0.00 23.12 20.70 2gfu s ALA 84 CO 0.00 -1.25 2.27 -0.35 0.00 0.00 0.00 175.76 176.43 2gfu n PRO 85 N 4.98 3.90 -1.93 0.00 -0.04 -1.26 -4.74 135.00 135.91 2gfu n PRO 85 Ca -0.12 -3.20 -0.39 0.00 -0.04 0.00 0.00 63.50 59.75 2gfu n PRO 85 Cb 0.47 -2.84 -0.01 0.00 -0.04 0.00 0.00 33.50 31.08 2gfu n PRO 85 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2gfu n THR 86 N 2.98 5.07 -2.81 0.52 -2.24 -1.26 -4.94 114.28 111.59 2gfu n THR 86 Ca 0.55 -4.17 -0.43 0.00 -2.27 0.00 0.00 64.05 57.74 2gfu n THR 86 Cb 0.30 -2.05 -0.04 0.00 -2.10 0.00 0.00 70.33 66.45 2gfu n THR 86 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2gfu s SER 87 N 0.42 6.25 -0.63 3.42 0.15 -1.26 -5.01 113.70 117.04 2gfu s SER 87 Ca 0.55 -1.08 -0.14 0.00 0.70 0.00 0.00 55.95 55.97 2gfu s SER 87 Cb 0.20 -2.44 0.16 0.00 -1.71 0.00 0.00 66.02 62.23 2gfu s SER 87 CO -0.10 -1.45 0.57 -0.94 1.20 0.00 0.00 173.24 172.52 2gfu s SER 88 N 3.75 6.29 -0.38 5.45 1.04 -1.26 -4.93 113.70 123.66 2gfu s SER 88 Ca 0.26 -2.12 0.12 0.00 0.48 0.00 0.00 55.95 54.69 2gfu s SER 88 Cb -0.13 -2.18 0.37 0.00 0.10 0.00 0.00 66.02 64.18 2gfu s SER 88 CO 0.07 -0.74 0.78 0.47 0.98 0.00 0.00 173.24 174.81 2gfu n ASP 89 N 4.75 1.23 -4.30 7.02 8.00 -1.26 -4.82 116.55 127.17 2gfu n ASP 89 Ca -0.04 -3.02 -0.34 0.00 0.71 0.00 0.00 54.79 52.10 2gfu n ASP 89 Cb 0.42 -0.60 -0.14 0.00 -0.02 0.00 0.00 41.12 40.78 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 -2.62 2.89 0.37 1.24 0.08 -1.26 -5.10 117.98 113.57 2gfu s PHE 90 Ca 0.39 -0.96 0.08 0.00 0.12 0.00 0.00 56.93 56.56 2gfu s PHE 90 Cb 0.36 -2.00 -0.05 0.00 -0.57 0.00 0.00 43.02 40.77 2gfu s PHE 90 CO -0.07 -0.49 0.15 -1.54 -0.10 0.00 0.00 175.22 173.18 2gfu s SER 91 N 1.11 4.52 0.28 1.36 1.04 -1.26 -5.02 113.70 115.73 2gfu s SER 91 Ca 0.01 -0.93 -0.28 0.00 0.48 0.00 0.00 55.95 55.23 2gfu s SER 91 Cb -0.14 -0.59 -0.14 0.00 0.10 0.00 0.00 66.02 65.24 2gfu s SER 91 CO -0.02 -0.41 0.94 -2.65 0.98 0.00 0.00 173.24 172.08 2gfu n PRO 92 N -1.18 1.16 -0.05 4.02 -0.02 -1.26 -3.62 135.00 134.04 2gfu n PRO 92 Ca -0.02 0.41 0.00 0.00 -2.02 0.00 0.00 63.50 61.87 2gfu n PRO 92 Cb 0.63 -1.73 0.00 0.00 -0.02 0.00 0.00 33.50 32.38 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 1.34 0.57 3.97 -1.23 0.00 -0.04 -4.94 105.19 104.86 2gfu n GLY 93 Ca 0.11 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.92 2gfu n GLY 93 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2gfu s ASP 94 N -2.56 5.39 0.03 1.61 1.01 -1.24 -4.93 116.67 115.98 2gfu s ASP 94 Ca 0.00 -0.00 0.00 0.00 0.71 0.00 0.00 52.55 53.26 2gfu s ASP 94 Cb 0.00 -0.95 -0.04 0.00 1.01 0.00 0.00 42.92 42.94 2gfu s ASP 94 CO 0.00 -1.05 0.13 -0.76 0.21 0.00 0.00 175.17 173.70 2gfu s LEU 95 N -4.70 4.08 0.06 1.23 2.01 -1.26 -1.28 118.68 118.83 2gfu s LEU 95 Ca 0.56 0.18 -0.05 0.00 0.01 0.00 0.00 54.13 54.83 2gfu s LEU 95 Cb -0.10 -2.56 -0.02 0.00 0.01 0.00 0.00 46.19 43.52 2gfu s LEU 95 CO 0.38 0.22 0.08 -0.69 1.01 0.00 0.00 176.35 177.35 2gfu s VAL 96 N -1.34 0.18 -0.27 -1.59 1.01 -0.43 -2.81 120.40 115.15 2gfu s VAL 96 Ca 0.28 -1.46 -0.08 0.00 0.00 0.00 0.00 61.98 60.72 2gfu s VAL 96 Cb -0.12 -1.36 -0.03 0.00 0.00 0.00 0.00 36.38 34.86 2gfu s VAL 96 CO 0.20 -0.81 0.11 0.26 0.00 0.00 0.00 175.10 174.87 2gfu s TRP 97 N -3.73 3.13 -0.16 5.22 0.52 0.27 -0.75 118.94 123.44 2gfu s TRP 97 Ca 0.05 -0.36 -0.06 0.00 0.02 0.00 0.00 56.10 55.75 2gfu s TRP 97 Cb 0.06 -2.29 -0.04 0.00 -1.15 0.00 0.00 33.47 30.05 2gfu s TRP 97 CO -0.10 -0.34 0.04 0.00 0.02 0.00 0.00 176.95 176.57 2gfu s ALA 98 N 1.64 3.33 -0.10 0.98 0.00 0.14 -0.62 121.76 127.14 2gfu s ALA 98 Ca 0.06 -0.76 -0.01 0.00 0.00 0.00 0.00 51.96 51.25 2gfu s ALA 98 Cb -0.16 -1.80 -0.03 0.00 0.00 0.00 0.00 23.12 21.13 2gfu s ALA 98 CO 0.05 0.25 -0.04 0.21 0.00 0.00 0.00 175.76 176.23 2gfu s LYS 99 N 0.16 3.07 0.00 0.00 2.47 -0.62 -2.36 119.74 122.46 2gfu s LYS 99 Ca 0.03 -0.51 0.04 0.00 -1.56 0.00 0.00 55.97 53.98 2gfu s LYS 99 Cb -0.13 -2.73 -0.01 0.00 -1.46 0.00 0.00 37.83 33.50 2gfu s LYS 99 CO 0.01 0.55 -0.14 1.41 0.16 0.00 0.00 175.35 177.34 2gfu s MET 100 N -0.48 1.06 -0.35 4.03 -2.45 -1.26 -4.80 119.30 115.04 2gfu s MET 100 Ca 0.07 -0.55 -0.28 0.00 -1.25 0.00 0.00 55.69 53.69 2gfu s MET 100 Cb -0.12 -1.03 -0.03 0.00 1.25 0.00 0.00 34.83 34.89 2gfu s MET 100 CO 0.02 0.28 1.98 -2.00 1.05 0.00 0.00 175.02 176.35 2gfu s GLU 101 N -0.52 3.06 0.00 4.11 2.12 -1.26 -1.23 118.70 124.98 2gfu s GLU 101 Ca 0.04 1.48 0.00 0.00 0.36 0.00 0.00 54.97 56.85 2gfu s GLU 101 Cb -0.06 -4.31 0.00 0.00 0.26 0.00 0.00 34.13 30.02 2gfu s GLU 101 CO -0.00 -2.18 0.00 0.41 -0.54 0.00 0.00 175.26 172.95 2gfu n GLY 102 N 5.61 2.09 3.67 -1.50 0.00 -1.26 -5.11 105.19 108.69 2gfu n GLY 102 Ca 0.26 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.05 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 -2.21 2.71 0.90 1.61 2.02 -0.37 -5.15 117.35 116.86 2gfu s TYR 103 Ca 0.00 -0.27 -0.12 0.00 -0.37 0.00 0.00 57.07 56.31 2gfu s TYR 103 Cb 0.00 -1.34 0.13 0.00 -0.40 0.00 0.00 41.96 40.36 2gfu s TYR 103 CO 0.00 0.54 1.10 -1.25 -1.57 0.00 0.00 175.55 174.37 2gfu s PRO 104 N -3.73 1.21 -0.09 -1.71 0.04 -1.26 -4.56 135.00 124.89 2gfu s PRO 104 Ca 0.33 0.60 -0.31 0.00 0.04 0.00 0.00 61.00 61.67 2gfu s PRO 104 Cb -0.05 -1.82 -0.09 0.00 0.04 0.00 0.00 34.50 32.58 2gfu s PRO 104 CO 0.21 -2.22 2.05 0.91 0.04 0.00 0.00 177.00 177.98 2gfu n TRP 105 N -3.84 2.26 -3.95 0.56 5.03 -1.26 -4.47 117.44 111.77 2gfu n TRP 105 Ca 0.06 -0.19 -0.29 0.00 3.03 0.00 0.00 57.50 60.12 2gfu n TRP 105 Cb 0.57 -2.74 -0.16 0.00 -1.03 0.00 0.00 31.31 27.94 2gfu n TRP 105 CO 0.00 0.00 0.00 -1.58 -0.03 0.00 0.00 177.69 176.08 2gfu s TRP 106 N 5.73 1.90 -0.07 -5.99 0.23 -1.00 -4.84 118.94 114.91 2gfu s TRP 106 Ca 0.95 -1.12 -0.38 0.00 -2.03 0.00 0.00 56.10 53.52 2gfu s TRP 106 Cb -0.48 -1.43 -0.16 0.00 0.03 0.00 0.00 33.47 31.43 2gfu s TRP 106 CO 0.43 -0.63 1.56 -2.30 0.96 0.00 0.00 176.95 176.97 2gfu n PRO 107 N 4.83 1.29 -3.96 4.98 -0.02 -1.26 -0.69 135.00 140.17 2gfu n PRO 107 Ca -0.14 0.47 -0.09 0.00 -2.02 0.00 0.00 63.50 61.72 2gfu n PRO 107 Cb 0.49 -2.15 -0.07 0.00 -0.02 0.00 0.00 33.50 31.74 2gfu n PRO 107 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 2gfu s SER 108 N 2.01 0.09 -0.02 2.55 0.01 0.07 -1.63 113.70 116.78 2gfu s SER 108 Ca 0.90 -0.87 0.01 0.00 1.31 0.00 0.00 55.95 57.31 2gfu s SER 108 Cb -0.96 0.40 0.01 0.00 0.21 0.00 0.00 66.02 65.67 2gfu s SER 108 CO 0.54 -0.84 -0.04 -0.22 0.41 0.00 0.00 173.24 173.09 2gfu s LEU 109 N -2.96 1.69 -0.11 2.44 0.20 -0.21 -1.31 118.68 118.42 2gfu s LEU 109 Ca 0.15 -0.10 -0.17 0.00 0.69 0.00 0.00 54.13 54.70 2gfu s LEU 109 Cb 0.04 -0.32 -0.04 0.00 -0.43 0.00 0.00 46.19 45.44 2gfu s LEU 109 CO -0.02 0.01 0.45 0.54 -0.29 0.00 0.00 176.35 177.04 2gfu s VAL 110 N 0.33 5.18 0.08 1.68 0.11 -0.40 -0.76 120.40 126.62 2gfu s VAL 110 Ca -0.04 0.90 0.04 0.00 -2.93 0.00 0.00 61.98 59.95 2gfu s VAL 110 Cb -0.07 -3.79 -0.03 0.00 -1.53 0.00 0.00 36.38 30.96 2gfu s VAL 110 CO -0.00 0.36 -0.10 -0.47 -3.33 0.00 0.00 175.10 171.55 2gfu s TYR 111 N 0.44 0.99 -0.38 1.54 5.04 -1.17 -0.86 117.35 122.95 2gfu s TYR 111 Ca 0.25 -0.59 -0.14 0.00 -2.44 0.00 0.00 57.07 54.15 2gfu s TYR 111 Cb -0.15 -0.56 0.01 0.00 0.35 0.00 0.00 41.96 41.61 2gfu s TYR 111 CO 0.10 -0.01 0.28 1.21 -1.34 0.00 0.00 175.55 175.79 2gfu s ASN 112 N -2.10 6.10 0.27 4.32 3.84 -1.26 -4.55 114.94 121.56 2gfu s ASN 112 Ca 0.00 -0.70 0.01 0.00 0.21 0.00 0.00 52.86 52.39 2gfu s ASN 112 Cb -0.06 -2.16 -0.03 0.00 -0.55 0.00 0.00 41.25 38.45 2gfu s ASN 112 CO 0.00 -0.37 0.45 -2.28 -2.79 0.00 0.00 177.10 172.11 2gfu s HIS 113 N 1.72 3.48 -0.93 0.43 5.65 -1.26 -4.91 115.29 119.47 2gfu s HIS 113 Ca 0.06 0.24 0.00 0.00 0.25 0.00 0.00 55.06 55.61 2gfu s HIS 113 Cb -0.18 -1.79 0.00 0.00 -1.18 0.00 0.00 32.58 29.43 2gfu s HIS 113 CO 0.10 0.29 0.32 -2.30 -0.65 0.00 0.00 174.74 172.51 2gfu n PRO 114 N -1.34 0.00 -0.34 2.88 -0.02 -1.26 -0.45 135.00 134.47 2gfu n PRO 114 Ca -0.06 0.04 0.12 0.00 -2.02 0.00 0.00 63.50 61.58 2gfu n PRO 114 Cb 0.56 -1.54 0.31 0.00 -0.02 0.00 0.00 33.50 32.81 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 -0.82 0.90 -1.14 6.00 3.72 -1.26 -5.05 117.46 119.80 2gfu n PHE 115 Ca 0.00 -0.45 -0.38 0.00 -0.05 0.00 0.00 57.45 56.57 2gfu n PHE 115 Cb 0.04 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 38.56 2gfu n PHE 115 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 2gfu n ASP 116 N 1.64 -1.81 0.00 4.37 5.68 0.40 -4.17 116.55 122.67 2gfu n ASP 116 Ca 0.24 0.81 0.00 0.00 -0.50 0.00 0.00 54.79 55.34 2gfu n ASP 116 Cb 0.62 -0.78 0.00 0.00 -1.14 0.00 0.00 41.12 39.83 2gfu n ASP 116 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2gfu n GLY 117 N 1.86 2.80 2.88 6.12 0.00 -1.26 -4.96 105.19 112.62 2gfu n GLY 117 Ca 0.12 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.93 2gfu n GLY 117 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2gfu s THR 118 N -2.49 0.55 0.00 2.61 -1.32 -1.26 -5.05 115.64 108.69 2gfu s THR 118 Ca 0.00 -0.10 0.00 0.00 -1.21 0.00 0.00 61.69 60.38 2gfu s THR 118 Cb 0.00 -0.60 0.00 0.00 -1.51 0.00 0.00 72.50 70.39 2gfu s THR 118 CO 0.00 0.24 0.61 2.22 -2.21 0.00 0.00 174.62 175.49 2gfu n PHE 119 N 4.27 0.00 -4.36 9.09 -1.74 -1.26 -4.86 117.46 118.60 2gfu n PHE 119 Ca -0.21 -0.19 -0.29 0.00 -0.56 0.00 0.00 57.45 56.20 2gfu n PHE 119 Cb 0.51 -0.02 -0.12 0.00 1.52 0.00 0.00 39.48 41.37 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 -0.38 2.49 0.00 1.97 -4.36 -1.26 -2.93 121.20 116.73 2gfu s ILE 120 Ca 0.00 -1.69 -0.01 0.00 -0.26 0.00 0.00 60.65 58.70 2gfu s ILE 120 Cb 0.00 -2.13 -0.01 0.00 1.25 0.00 0.00 42.46 41.58 2gfu s ILE 120 CO 0.00 0.08 0.00 -0.60 0.24 0.00 0.00 174.94 174.66 2gfu s ARG 121 N -2.14 0.15 -0.03 0.37 6.06 -0.87 -5.05 118.95 117.44 2gfu s ARG 121 Ca 0.16 -0.24 -0.01 0.00 -2.50 0.00 0.00 55.73 53.14 2gfu s ARG 121 Cb -0.10 0.06 0.03 0.00 0.06 0.00 0.00 34.95 35.00 2gfu s ARG 121 CO 0.08 -0.02 0.05 -2.00 -2.50 0.00 0.00 175.30 170.90 2gfu s GLU 122 N -0.61 -0.04 -0.63 5.12 2.12 -1.26 -0.76 118.70 122.63 2gfu s GLU 122 Ca -0.07 0.26 -0.08 0.00 0.36 0.00 0.00 54.97 55.45 2gfu s GLU 122 Cb -0.04 -0.32 0.16 0.00 0.26 0.00 0.00 34.13 34.19 2gfu s GLU 122 CO -0.00 -0.22 0.50 0.15 -0.54 0.00 0.00 175.26 175.15 2gfu s LYS 123 N 1.42 2.83 2.71 4.30 -0.14 0.13 -4.90 119.74 126.09 2gfu s LYS 123 Ca -0.05 -2.27 0.00 0.00 -1.36 0.00 0.00 55.97 52.29 2gfu s LYS 123 Cb -0.13 -3.99 0.00 0.00 -1.68 0.00 0.00 37.83 32.03 2gfu s LYS 123 CO -0.03 -1.21 0.00 0.41 -0.76 0.00 0.00 175.35 173.75 2gfu n GLY 124 N 4.07 1.66 0.02 -3.33 0.00 -1.26 -1.04 105.19 105.31 2gfu n GLY 124 Ca 0.05 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.21 2gfu n GLY 124 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2gfu n LYS 125 N 0.00 -0.33 -3.03 1.61 4.76 -1.26 -4.97 118.16 114.95 2gfu n LYS 125 Ca 0.00 -0.49 -0.44 0.00 -2.87 0.00 0.00 58.31 54.51 2gfu n LYS 125 Cb 0.00 -0.97 -0.04 0.00 -1.84 0.00 0.00 35.03 32.18 2gfu n LYS 125 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 2gfu s SER 126 N -0.12 6.28 -0.08 4.39 0.15 -0.21 -5.04 113.70 119.07 2gfu s SER 126 Ca 0.01 -1.48 -0.23 0.00 0.70 0.00 0.00 55.95 54.95 2gfu s SER 126 Cb 0.00 -2.34 -0.04 0.00 -1.71 0.00 0.00 66.02 61.94 2gfu s SER 126 CO 0.01 -1.16 0.68 0.54 1.20 0.00 0.00 173.24 174.50 2gfu s VAL 127 N 2.91 5.05 -0.01 4.45 0.11 -1.26 0.18 120.40 131.83 2gfu s VAL 127 Ca 0.18 1.39 0.07 0.00 -2.93 0.00 0.00 61.98 60.68 2gfu s VAL 127 Cb -0.19 -4.02 -0.02 0.00 -1.53 0.00 0.00 36.38 30.63 2gfu s VAL 127 CO 0.04 0.24 -0.22 -0.13 -3.33 0.00 0.00 175.10 171.71 2gfu s ARG 128 N 0.91 1.71 0.25 1.54 0.52 0.06 -2.20 118.95 121.72 2gfu s ARG 128 Ca 0.36 -0.80 0.06 0.00 -0.52 0.00 0.00 55.73 54.83 2gfu s ARG 128 Cb -0.17 -1.68 -0.05 0.00 0.52 0.00 0.00 34.95 33.57 2gfu s ARG 128 CO 0.17 0.46 -0.07 0.14 0.02 0.00 0.00 175.30 176.01 2gfu s VAL 129 N -0.54 1.53 -0.13 3.52 -7.23 -1.13 -2.04 120.40 114.37 2gfu s VAL 129 Ca 0.08 -2.13 -0.29 0.00 -1.81 0.00 0.00 61.98 57.83 2gfu s VAL 129 Cb -0.08 -2.30 -0.01 0.00 0.56 0.00 0.00 36.38 34.54 2gfu s VAL 129 CO -0.00 -0.40 1.08 -1.00 -0.31 0.00 0.00 175.10 174.47 2gfu s HIS 130 N -3.09 3.34 0.30 2.82 0.09 -1.15 -1.96 115.29 115.63 2gfu s HIS 130 Ca 0.27 1.43 0.00 0.00 -0.00 0.00 0.00 55.06 56.76 2gfu s HIS 130 Cb 0.03 -3.29 -0.02 0.00 -0.00 0.00 0.00 32.58 29.30 2gfu s HIS 130 CO 0.09 -0.65 0.34 0.14 -0.00 0.00 0.00 174.74 174.66 2gfu s VAL 131 N 2.50 0.00 0.07 -0.90 -7.23 -1.23 -3.03 120.40 110.58 2gfu s VAL 131 Ca 0.49 -1.80 0.03 0.00 -1.81 0.00 0.00 61.98 58.89 2gfu s VAL 131 Cb -0.19 -2.52 -0.03 0.00 0.56 0.00 0.00 36.38 34.20 2gfu s VAL 131 CO 0.15 0.00 -0.09 0.00 -0.31 0.00 0.00 175.10 174.85 2gfu s GLN 132 N -3.50 0.69 -0.22 4.82 1.03 0.06 -4.09 119.66 118.44 2gfu s GLN 132 Ca 0.35 -0.95 -0.04 0.00 0.04 0.00 0.00 55.36 54.76 2gfu s GLN 132 Cb 0.02 -0.43 -0.01 0.00 0.03 0.00 0.00 33.01 32.62 2gfu s GLN 132 CO 0.20 0.07 -0.04 -0.06 -2.54 0.00 0.00 175.29 172.93 2gfu s PHE 133 N -1.86 2.96 -0.37 9.60 0.40 -0.08 -1.04 117.98 127.59 2gfu s PHE 133 Ca -0.03 -0.87 -0.17 0.00 -0.60 0.00 0.00 56.93 55.26 2gfu s PHE 133 Cb -0.07 -2.10 -0.17 0.00 0.51 0.00 0.00 43.02 41.19 2gfu s PHE 133 CO 0.00 -0.51 1.64 1.19 0.70 0.00 0.00 175.22 178.24 2gfu n PHE 134 N 4.72 0.75 0.00 0.36 3.72 -0.65 -2.56 117.46 123.80 2gfu n PHE 134 Ca -0.18 -1.11 0.00 0.00 -0.05 0.00 0.00 57.45 56.11 2gfu n PHE 134 Cb 0.51 -1.14 0.00 0.00 -0.94 0.00 0.00 39.48 37.91 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 6.79 0.00 -0.09 4.37 -0.08 -1.26 -4.68 116.55 121.61 2gfu n ASP 135 Ca 0.36 0.00 -0.13 0.00 -1.51 0.00 0.00 54.79 53.52 2gfu n ASP 135 Cb 0.27 0.00 -0.04 0.00 2.34 0.00 0.00 41.12 43.68 2gfu n ASP 135 CO 0.00 0.00 0.00 -0.90 0.12 0.00 0.00 177.20 176.42 2gfu n ASP 136 N 0.00 1.82 0.11 1.67 5.75 -1.26 -4.83 116.55 119.81 2gfu n ASP 136 Ca 0.00 0.31 -0.01 0.00 -0.01 0.00 0.00 54.79 55.08 2gfu n ASP 136 Cb 0.00 -0.70 -0.03 0.00 -1.03 0.00 0.00 41.12 39.36 2gfu n ASP 136 CO 0.00 0.00 0.00 0.77 -0.11 0.00 0.00 177.20 177.86 2gfu h SER 137 N -0.89 0.00 -0.43 -1.12 4.64 -1.99 -3.48 113.55 110.29 2gfu h SER 137 Ca -0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.16 2gfu h SER 137 Cb 1.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.14 2gfu h SER 137 CO -0.09 0.66 0.00 -0.81 -0.87 0.00 0.00 176.83 175.72 2gfu n PRO 138 N -3.23 2.06 -3.53 4.77 -0.04 -1.26 -4.92 135.00 128.83 2gfu n PRO 138 Ca 0.00 0.00 -0.37 0.00 -0.04 0.00 0.00 63.50 63.10 2gfu n PRO 138 Cb 0.81 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 34.19 2gfu n PRO 138 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 2gfu s THR 139 N 0.67 5.30 0.02 0.52 2.01 -1.06 -4.91 115.64 118.19 2gfu s THR 139 Ca 0.00 0.50 -0.28 0.00 0.31 0.00 0.00 61.69 62.22 2gfu s THR 139 Cb 0.00 -3.62 0.08 0.00 0.01 0.00 0.00 72.50 68.97 2gfu s THR 139 CO 0.00 0.35 0.70 -0.60 -0.69 0.00 0.00 174.62 174.38 2gfu s ARG 140 N 0.80 1.07 0.00 4.92 3.00 -1.26 -0.90 118.95 126.58 2gfu s ARG 140 Ca 0.15 -0.08 0.00 0.00 -1.00 0.00 0.00 55.73 54.80 2gfu s ARG 140 Cb -0.13 0.50 0.00 0.00 0.00 0.00 0.00 34.95 35.31 2gfu s ARG 140 CO 0.05 -0.40 0.00 0.41 0.00 0.00 0.00 175.30 175.35 2gfu n GLY 141 N 0.29 1.11 3.55 8.12 0.00 -1.26 -5.06 105.19 111.94 2gfu n GLY 141 Ca -0.16 -0.55 -0.42 0.00 0.00 0.00 0.00 46.02 44.88 2gfu n GLY 141 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2gfu s TRP 142 N -1.92 3.11 0.27 1.61 0.52 -1.26 -3.56 118.94 117.69 2gfu s TRP 142 Ca 0.00 0.19 0.06 0.00 0.02 0.00 0.00 56.10 56.37 2gfu s TRP 142 Cb 0.00 -3.26 -0.03 0.00 -1.15 0.00 0.00 33.47 29.03 2gfu s TRP 142 CO 0.00 -0.74 0.31 0.54 0.02 0.00 0.00 176.95 177.08 2gfu s VAL 143 N 2.80 4.63 -0.47 4.03 0.11 -0.83 -4.91 120.40 125.76 2gfu s VAL 143 Ca 0.24 -1.17 -0.29 0.00 -2.93 0.00 0.00 61.98 57.83 2gfu s VAL 143 Cb -0.14 -3.57 0.02 0.00 -1.53 0.00 0.00 36.38 31.16 2gfu s VAL 143 CO 0.17 -0.29 1.23 -0.44 -3.33 0.00 0.00 175.10 172.44 2gfu s SER 144 N -3.96 6.52 0.56 3.54 0.01 -1.26 -2.83 113.70 116.27 2gfu s SER 144 Ca 0.36 0.55 0.37 0.00 1.31 0.00 0.00 55.95 58.54 2gfu s SER 144 Cb -0.08 -2.55 1.82 0.00 0.21 0.00 0.00 66.02 65.42 2gfu s SER 144 CO 0.28 -1.34 2.12 0.50 0.41 0.00 0.00 173.24 175.20 2gfu h LYS 145 N 9.76 0.00 -0.00 12.44 3.64 -1.80 -1.64 116.57 138.97 2gfu h LYS 145 Ca -0.25 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.13 2gfu h LYS 145 Cb 1.07 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.89 2gfu h LYS 145 CO 1.12 0.00 -0.08 -2.13 -2.27 0.00 0.00 179.45 176.09 2gfu n ARG 146 N -2.93 0.43 -0.25 1.90 0.63 -1.26 -2.60 116.66 112.57 2gfu n ARG 146 Ca -0.01 -0.09 0.12 0.00 -0.92 0.00 0.00 57.85 56.95 2gfu n ARG 146 Cb 0.16 -1.50 0.25 0.00 0.45 0.00 0.00 32.46 31.82 2gfu n ARG 146 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 2gfu n LEU 147 N -1.21 3.62 -4.66 6.15 4.77 -0.62 -4.88 117.00 120.18 2gfu n LEU 147 Ca 0.13 -1.69 -0.38 0.00 -0.03 0.00 0.00 56.01 54.04 2gfu n LEU 147 Cb 0.28 -0.33 -0.08 0.00 -2.33 0.00 0.00 43.42 40.95 2gfu n LEU 147 CO 0.25 0.83 -0.01 -0.76 -1.33 0.00 0.00 177.39 176.37 2gfu s LEU 148 N -1.29 4.12 0.26 2.23 1.43 -1.07 -1.58 118.68 122.77 2gfu s LEU 148 Ca 0.42 0.33 0.11 0.00 -1.03 0.00 0.00 54.13 53.95 2gfu s LEU 148 Cb 0.23 -2.35 -0.05 0.00 0.03 0.00 0.00 46.19 44.06 2gfu s LEU 148 CO 0.32 -0.04 -0.12 -0.54 0.23 0.00 0.00 176.35 176.20 2gfu s LYS 149 N 1.32 1.95 0.39 1.70 1.02 0.21 -4.74 119.74 121.59 2gfu s LYS 149 Ca 0.14 -1.55 -0.17 0.00 0.02 0.00 0.00 55.97 54.40 2gfu s LYS 149 Cb -0.14 -1.97 -0.10 0.00 -0.52 0.00 0.00 37.83 35.10 2gfu s LYS 149 CO 0.07 0.36 0.85 -1.25 -0.92 0.00 0.00 175.35 174.46 2gfu s PRO 150 N -3.42 4.08 0.00 -1.68 0.04 -1.26 -0.57 135.00 132.19 2gfu s PRO 150 Ca 0.29 0.87 0.00 0.00 0.04 0.00 0.00 61.00 62.21 2gfu s PRO 150 Cb -0.06 -2.29 0.00 0.00 0.04 0.00 0.00 34.50 32.18 2gfu s PRO 150 CO 0.16 0.02 0.05 2.48 0.04 0.00 0.00 177.00 179.76 2gfu n TYR 151 N -0.66 0.00 -0.43 0.56 4.11 -1.12 -4.64 117.16 114.98 2gfu n TYR 151 Ca 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.95 2gfu n TYR 151 Cb 0.54 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.88 2gfu n TYR 151 CO 0.00 0.00 0.00 -2.37 -0.00 0.00 0.00 176.86 174.49 2gfu n THR 152 N -0.18 0.00 0.00 -3.48 5.66 -1.26 -4.84 114.28 110.18 2gfu n THR 152 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 2gfu n THR 152 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 2gfu n THR 152 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2gfu n GLY 153 N -0.12 1.75 0.40 1.09 0.00 -1.26 -4.33 105.19 102.71 2gfu n GLY 153 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.17 2gfu n GLY 153 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2gfu h SER 154 N 0.00 0.00 0.84 1.61 0.02 -1.85 0.51 113.55 114.67 2gfu h SER 154 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2gfu h SER 154 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 2gfu h SER 154 CO 0.00 0.00 -0.31 2.29 -1.14 0.00 0.00 176.83 177.67 2gfu n LYS 155 N -3.00 0.09 -3.32 3.45 2.85 -1.26 -4.51 118.16 112.45 2gfu n LYS 155 Ca 0.07 0.04 -0.32 0.00 -1.05 0.00 0.00 58.31 57.06 2gfu n LYS 155 Cb 0.95 -1.57 -0.05 0.00 -0.65 0.00 0.00 35.03 33.71 2gfu n LYS 155 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 177.40 176.23 2gfu s SER 156 N -3.41 6.62 0.33 -5.58 0.01 0.18 -5.01 113.70 106.84 2gfu s SER 156 Ca 0.11 0.97 0.11 0.00 1.31 0.00 0.00 55.95 58.45 2gfu s SER 156 Cb 0.17 -2.25 0.93 0.00 0.21 0.00 0.00 66.02 65.08 2gfu s SER 156 CO 0.64 -0.13 1.72 0.11 0.41 0.00 0.00 173.24 175.99 2gfu h LYS 157 N 2.31 0.52 0.00 12.44 1.57 -1.92 0.28 116.57 131.77 2gfu h LYS 157 Ca -0.47 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.28 2gfu h LYS 157 Cb 1.17 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.37 2gfu h LYS 157 CO 0.68 0.34 0.00 0.39 -0.57 0.00 0.00 179.45 180.29 2gfu n GLU 158 N -4.90 0.16 -0.21 3.15 4.71 -1.26 -3.60 120.64 118.68 2gfu n GLU 158 Ca 0.28 0.21 0.08 0.00 -0.01 0.00 0.00 57.16 57.72 2gfu n GLU 158 Cb 0.79 -1.72 0.20 0.00 -1.01 0.00 0.00 31.44 29.70 2gfu n GLU 158 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2gfu n ALA 159 N -1.69 2.30 -2.68 0.62 0.00 0.96 -2.75 120.51 117.27 2gfu n ALA 159 Ca 0.05 -1.11 -0.32 0.00 0.00 0.00 0.00 53.44 52.06 2gfu n ALA 159 Cb 0.35 -0.63 -0.05 0.00 0.00 0.00 0.00 19.45 19.12 2gfu n ALA 159 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 2gfu s GLN 160 N -1.07 2.23 0.07 0.00 1.03 -1.10 -4.70 119.66 116.12 2gfu s GLN 160 Ca 0.32 -2.35 -0.30 0.00 0.04 0.00 0.00 55.36 53.06 2gfu s GLN 160 Cb 0.17 -1.67 -0.09 0.00 0.03 0.00 0.00 33.01 31.45 2gfu s GLN 160 CO 0.23 -0.48 1.86 0.21 -2.54 0.00 0.00 175.29 174.56 2gfu s LYS 161 N -4.02 4.15 0.00 9.60 2.20 -1.26 -1.05 119.74 129.36 2gfu s LYS 161 Ca 0.09 2.55 0.00 0.00 -0.36 0.00 0.00 55.97 58.26 2gfu s LYS 161 Cb -0.00 -3.85 0.00 0.00 -1.51 0.00 0.00 37.83 32.47 2gfu s LYS 161 CO 0.06 -0.88 0.00 0.41 -0.36 0.00 0.00 175.35 174.58 2gfu n GLY 162 N 4.33 0.43 3.85 5.54 0.00 -1.26 -5.07 105.19 113.01 2gfu n GLY 162 Ca 0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.85 2.01 0.14 -0.02 0.00 -0.22 -4.97 107.32 102.41 2gfu s GLY 163 Ca 0.00 0.06 -0.13 0.00 0.00 0.00 0.00 44.72 44.65 2gfu s GLY 163 CO 0.00 0.31 1.60 0.84 0.00 0.00 0.00 173.10 175.85 2gfu h HIS 164 N 0.94 0.89 -0.14 1.90 2.76 -1.77 -3.29 115.15 116.44 2gfu h HIS 164 Ca -0.47 -0.15 0.00 0.00 -2.20 0.00 0.00 60.37 57.55 2gfu h HIS 164 Cb 1.19 -0.24 0.00 0.00 1.55 0.00 0.00 27.41 29.91 2gfu h HIS 164 CO 0.63 0.85 0.00 1.97 -1.30 0.00 0.00 177.93 180.08 2gfu n PHE 165 N -4.37 0.16 -2.60 5.26 1.16 -1.11 -4.87 117.46 111.09 2gfu n PHE 165 Ca 0.01 -0.09 -0.41 0.00 -1.87 0.00 0.00 57.45 55.09 2gfu n PHE 165 Cb 0.30 -0.00 -0.03 0.00 -1.61 0.00 0.00 39.48 38.13 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 -1.69 2.55 -0.36 2.97 5.04 -1.21 -4.78 117.35 119.88 2gfu s TYR 166 Ca 0.29 -0.75 0.00 0.00 -2.44 0.00 0.00 57.07 54.17 2gfu s TYR 166 Cb 0.19 -4.64 0.09 0.00 0.35 0.00 0.00 41.96 37.96 2gfu s TYR 166 CO 0.28 -1.91 0.09 -1.12 -1.34 0.00 0.00 175.55 171.55 2gfu s SER 167 N 4.62 4.96 -0.56 4.32 0.01 -1.26 -4.86 113.70 120.93 2gfu s SER 167 Ca 0.42 -1.92 -0.19 0.00 1.31 0.00 0.00 55.95 55.58 2gfu s SER 167 Cb -0.02 -1.72 0.09 0.00 0.21 0.00 0.00 66.02 64.58 2gfu s SER 167 CO -0.05 -0.41 0.65 0.00 0.41 0.00 0.00 173.24 173.83 2gfu s ALA 168 N 1.06 3.43 0.12 1.44 0.00 -1.26 -4.63 121.76 121.92 2gfu s ALA 168 Ca 0.06 -2.10 0.11 0.00 0.00 0.00 0.00 51.96 50.02 2gfu s ALA 168 Cb -0.21 -3.43 -0.04 0.00 0.00 0.00 0.00 23.12 19.44 2gfu s ALA 168 CO -0.05 -2.19 -0.26 0.21 0.00 0.00 0.00 175.76 173.47 2gfu s LYS 169 N 2.52 1.49 0.52 0.00 2.20 -1.26 -4.99 119.74 120.24 2gfu s LYS 169 Ca 0.11 -1.30 0.22 0.00 -0.36 0.00 0.00 55.97 54.64 2gfu s LYS 169 Cb -0.23 -1.94 1.35 0.00 -1.51 0.00 0.00 37.83 35.49 2gfu s LYS 169 CO 0.08 0.46 2.04 -1.00 -0.36 0.00 0.00 175.35 176.57 2gfu h PRO 170 N 3.95 0.02 -0.11 4.03 0.13 -1.98 -0.92 132.00 137.11 2gfu h PRO 170 Ca -0.50 -0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.59 2gfu h PRO 170 Cb 1.17 -0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.29 2gfu h PRO 170 CO 0.40 0.01 -0.07 0.93 -0.23 0.00 0.00 178.00 179.05 2gfu h GLU 171 N 0.02 0.25 -0.26 0.86 5.08 -1.96 -0.37 114.58 118.20 2gfu h GLU 171 Ca 0.18 -0.11 -0.06 0.00 -1.00 0.00 0.00 59.36 58.37 2gfu h GLU 171 Cb 0.69 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.93 2gfu h GLU 171 CO -0.00 0.61 -0.06 0.82 -1.00 0.00 0.00 179.01 179.38 2gfu h ILE 172 N -0.12 1.28 -0.09 3.13 2.04 -1.76 -1.56 117.51 120.43 2gfu h ILE 172 Ca 0.02 -1.06 -0.10 0.00 1.00 0.00 0.00 64.86 64.72 2gfu h ILE 172 Cb 0.54 1.45 -0.01 0.00 -0.74 0.00 0.00 36.82 38.05 2gfu h ILE 172 CO 0.02 0.33 -0.41 0.17 0.00 0.00 0.00 178.15 178.26 2gfu h LEU 173 N 0.24 0.22 -0.48 1.44 8.10 -1.26 -1.60 115.31 121.97 2gfu h LEU 173 Ca 0.07 -0.09 -0.08 0.00 0.11 0.00 0.00 57.88 57.88 2gfu h LEU 173 Cb 0.52 -0.06 -0.02 0.00 -0.44 0.00 0.00 40.66 40.66 2gfu h LEU 173 CO 0.02 0.61 -0.03 -0.09 -4.11 0.00 0.00 178.44 174.84 2gfu h ARG 174 N 0.17 0.86 -0.29 0.17 9.65 -1.03 -1.71 114.38 122.21 2gfu h ARG 174 Ca 0.02 -0.29 -0.05 0.00 -1.10 0.00 0.00 59.98 58.56 2gfu h ARG 174 Cb 0.80 -0.07 -0.02 0.00 -1.39 0.00 0.00 29.97 29.29 2gfu h ARG 174 CO 0.06 0.92 -0.05 0.00 2.80 0.00 0.00 179.97 183.70 2gfu h ALA 175 N 0.91 1.39 -0.10 2.80 0.00 -1.23 0.20 119.26 123.23 2gfu h ALA 175 Ca 0.13 -0.21 -0.12 0.00 0.00 0.00 0.00 54.91 54.71 2gfu h ALA 175 Cb 0.55 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 2gfu h ALA 175 CO 0.03 0.42 -0.47 0.52 0.00 0.00 0.00 179.25 179.75 2gfu h MET 176 N 0.43 0.25 -0.12 0.00 2.86 -1.15 0.71 114.93 117.92 2gfu h MET 176 Ca 0.09 -0.14 -0.10 0.00 -2.06 0.00 0.00 59.70 57.49 2gfu h MET 176 Cb 0.36 0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.03 2gfu h MET 176 CO 0.02 0.68 -0.31 1.96 1.06 0.00 0.00 176.91 180.31 2gfu h GLN 177 N 0.21 0.42 0.04 1.72 4.20 -0.14 -0.01 115.11 121.54 2gfu h GLN 177 Ca 0.01 -0.29 -0.00 0.00 0.06 0.00 0.00 58.65 58.42 2gfu h GLN 177 Cb 0.91 0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.74 2gfu h GLN 177 CO 0.07 0.91 -0.02 -0.09 -0.67 0.00 0.00 178.83 179.03 2gfu h ARG 178 N 0.00 -0.05 0.21 1.46 2.43 -0.78 -2.17 114.38 115.48 2gfu h ARG 178 Ca -0.01 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.16 2gfu h ARG 178 Cb 0.93 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.49 2gfu h ARG 178 CO 0.07 0.19 -0.10 0.00 -1.51 0.00 0.00 179.97 178.62 2gfu h ALA 179 N 0.65 -0.28 -0.73 2.80 0.00 -0.97 -2.72 119.26 118.02 2gfu h ALA 179 Ca -0.01 -0.12 0.10 0.00 0.00 0.00 0.00 54.91 54.88 2gfu h ALA 179 Cb 0.27 0.11 -0.07 0.00 0.00 0.00 0.00 17.79 18.09 2gfu h ALA 179 CO 0.01 -0.58 0.36 0.22 0.00 0.00 0.00 179.25 179.26 2gfu h ASP 180 N -0.45 0.46 -0.40 0.00 3.58 -1.06 0.24 116.42 118.79 2gfu h ASP 180 Ca -0.03 0.07 -0.06 0.00 0.42 0.00 0.00 57.03 57.43 2gfu h ASP 180 Cb 0.34 -0.01 -0.02 0.00 1.72 0.00 0.00 39.33 41.36 2gfu h ASP 180 CO 0.05 0.25 0.04 1.05 -2.88 0.00 0.00 179.24 177.75 2gfu h GLU 181 N 0.59 0.76 -0.01 0.28 4.11 -1.46 -0.96 114.58 117.89 2gfu h GLU 181 Ca 0.36 -0.18 -0.14 0.00 0.07 0.00 0.00 59.36 59.47 2gfu h GLU 181 Cb 0.41 -0.10 0.01 0.00 0.50 0.00 0.00 28.75 29.57 2gfu h GLU 181 CO -0.28 0.74 -0.54 0.00 0.07 0.00 0.00 179.01 179.00 2gfu h ALA 182 N 1.33 0.08 -0.73 1.06 0.00 -1.03 -3.07 119.26 116.90 2gfu h ALA 182 Ca 0.15 -0.55 0.03 0.00 0.00 0.00 0.00 54.91 54.54 2gfu h ALA 182 Cb 0.38 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.15 2gfu h ALA 182 CO 0.01 0.31 0.46 1.25 0.00 0.00 0.00 179.25 181.29 2gfu h LEU 183 N -0.13 0.77 -0.29 0.00 6.46 -0.58 -2.94 115.31 118.59 2gfu h LEU 183 Ca -0.06 -0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.69 2gfu h LEU 183 Cb 1.25 -0.17 0.00 0.00 -0.73 0.00 0.00 40.66 41.00 2gfu h LEU 183 CO 0.11 0.54 -0.43 -0.46 -0.62 0.00 0.00 178.44 177.58 2gfu n ASN 184 N -4.63 0.88 0.00 1.25 0.23 -0.37 -4.87 115.26 107.76 2gfu n ASN 184 Ca 0.08 -0.69 0.00 0.00 -0.53 0.00 0.00 54.58 53.44 2gfu n ASN 184 Cb 0.07 0.27 0.00 0.00 -2.08 0.00 0.00 39.78 38.04 2gfu n ASN 184 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 2gfu n LYS 185 N -1.01 0.00 -4.32 -3.83 5.02 -1.12 -5.05 118.16 107.85 2gfu n LYS 185 Ca 0.09 0.00 -0.19 0.00 -2.02 0.00 0.00 58.31 56.19 2gfu n LYS 185 Cb 0.35 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 35.26 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 0.91 2.45 0.37 4.39 1.01 -1.16 -5.03 116.67 119.60 2gfu s ASP 186 Ca 0.00 -0.96 0.13 0.00 0.71 0.00 0.00 52.55 52.43 2gfu s ASP 186 Cb 0.00 -0.12 0.94 0.00 1.01 0.00 0.00 42.92 44.75 2gfu s ASP 186 CO 0.00 -0.15 1.82 0.50 0.21 0.00 0.00 175.17 177.55 2gfu h LYS 187 N 2.85 0.54 -0.61 8.23 3.64 -1.93 -2.15 116.57 127.15 2gfu h LYS 187 Ca -0.39 -0.03 0.18 0.00 -1.27 0.00 0.00 60.65 59.13 2gfu h LYS 187 Cb 1.21 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.89 2gfu h LYS 187 CO 0.58 0.36 0.45 0.97 -2.27 0.00 0.00 179.45 179.54 2gfu h ILE 188 N 0.56 0.67 -0.05 2.00 6.09 -1.96 -0.66 117.51 124.15 2gfu h ILE 188 Ca 0.52 0.00 -0.04 0.00 -1.37 0.00 0.00 64.86 63.97 2gfu h ILE 188 Cb 1.07 0.69 0.00 0.00 0.47 0.00 0.00 36.82 39.05 2gfu h ILE 188 CO -0.26 0.00 -0.13 0.11 -3.07 0.00 0.00 178.15 174.80 2gfu h LYS 189 N 0.00 0.18 -0.03 2.19 6.56 -1.71 -2.39 116.57 121.37 2gfu h LYS 189 Ca 0.29 -0.12 -0.23 0.00 -1.06 0.00 0.00 60.65 59.52 2gfu h LYS 189 Cb 1.19 0.02 0.01 0.00 -0.57 0.00 0.00 32.23 32.87 2gfu h LYS 189 CO -0.00 0.73 -0.93 0.07 -2.06 0.00 0.00 179.45 177.26 2gfu h ARG 190 N -0.35 0.54 0.00 3.15 -0.00 -1.68 -3.34 114.38 112.70 2gfu h ARG 190 Ca -0.00 -0.55 -0.05 0.00 -0.00 0.00 0.00 59.98 59.38 2gfu h ARG 190 Cb 0.74 0.15 -0.01 0.00 -0.00 0.00 0.00 29.97 30.85 2gfu h ARG 190 CO 0.03 1.18 -0.25 1.25 -0.00 0.00 0.00 179.97 182.18 2gfu h LEU 191 N 0.32 0.00 -1.14 0.08 5.85 -1.25 0.14 115.31 119.31 2gfu h LEU 191 Ca -0.09 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.63 2gfu h LEU 191 Cb 1.57 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 42.56 2gfu h LEU 191 CO 0.17 0.25 0.44 -0.08 -0.34 0.00 0.00 178.44 178.88 2gfu h GLU 192 N 0.00 1.04 0.00 1.25 4.81 -1.55 -3.25 114.58 116.88 2gfu h GLU 192 Ca -0.00 -0.10 -0.11 0.00 -0.13 0.00 0.00 59.36 59.02 2gfu h GLU 192 Cb 0.66 -0.21 -0.02 0.00 0.63 0.00 0.00 28.75 29.81 2gfu h GLU 192 CO 0.03 0.74 -0.62 -0.07 -0.73 0.00 0.00 179.01 178.36 2gfu h LEU 193 N 1.05 0.00 0.00 1.64 -0.00 -1.55 -3.48 115.31 112.97 2gfu h LEU 193 Ca 0.27 -0.66 0.00 0.00 -0.00 0.00 0.00 57.88 57.49 2gfu h LEU 193 Cb -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.64 2gfu h LEU 193 CO -0.05 1.19 0.00 0.00 -0.00 0.00 0.00 178.44 179.58 2gfu n ALA 194 N -3.05 0.00 -0.22 1.53 0.00 0.42 -0.03 120.51 119.16 2gfu n ALA 194 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.24 2gfu n ALA 194 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.99 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 0.00 0.00 0.00 0.24 -1.26 -4.88 118.33 112.43 2gfu n VAL 195 Ca 0.00 -0.23 0.00 0.00 -2.04 0.00 0.00 64.34 62.07 2gfu n VAL 195 Cb 0.00 1.22 0.00 0.00 -1.47 0.00 0.00 33.84 33.59 2gfu n VAL 195 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 2gfu n SER 196 N -0.28 0.00 -4.17 -1.34 3.41 0.96 -4.63 113.62 107.57 2gfu n SER 196 Ca 0.00 0.00 -0.34 0.00 -0.26 0.00 0.00 58.87 58.27 2gfu n SER 196 Cb 0.05 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 63.86 2gfu n SER 196 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 2gfu s ASP 197 N -4.00 4.41 0.29 4.04 1.01 -1.26 -4.90 116.67 116.25 2gfu s ASP 197 Ca 0.00 -1.02 0.00 0.00 0.71 0.00 0.00 52.55 52.24 2gfu s ASP 197 Cb 0.00 -1.65 0.00 0.00 1.01 0.00 0.00 42.92 42.28 2gfu s ASP 197 CO 0.00 -0.16 0.00 1.21 0.21 0.00 0.00 175.17 176.43 2gfu n GLU 198 N 4.63 0.00 -1.53 8.23 0.00 -1.26 -4.97 120.64 125.74 2gfu n GLU 198 Ca -0.16 0.00 -0.40 0.00 0.00 0.00 0.00 57.16 56.60 2gfu n GLU 198 Cb 0.46 0.00 -0.02 0.00 0.00 0.00 0.00 31.44 31.88 2gfu n GLU 198 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.13 176.78 2gfu n PRO 199 N -3.10 3.35 -1.35 5.31 -0.04 -1.26 -4.66 135.00 133.24 2gfu n PRO 199 Ca 0.00 -2.42 -0.24 0.00 -0.04 0.00 0.00 63.50 60.80 2gfu n PRO 199 Cb 0.00 -3.02 0.11 0.00 -0.04 0.00 0.00 33.50 30.56 2gfu n PRO 199 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2gfu n SER 200 N 4.66 5.19 0.00 3.54 2.88 -1.26 -5.24 113.62 123.39 2gfu n SER 200 Ca 0.66 -3.76 0.00 0.00 -1.33 0.00 0.00 58.87 54.45 2gfu n SER 200 Cb 0.30 -0.73 0.00 0.00 -0.75 0.00 0.00 64.21 63.03 2gfu n SER 200 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19