#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jg8 n PRO 91 N 0.00 0.90 -0.32 3.69 -0.04 -1.26 -4.99 135.00 132.98 2jg8 n PRO 91 Ca 0.00 0.29 0.08 0.00 -0.04 0.00 0.00 63.50 63.83 2jg8 n PRO 91 Cb 0.00 -2.13 0.24 0.00 -0.04 0.00 0.00 33.50 31.56 2jg8 n PRO 91 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2jg8 n ARG 92 N 6.86 2.99 -1.96 0.54 1.74 -1.26 -5.07 116.66 120.51 2jg8 n ARG 92 Ca 0.37 -2.42 -0.42 0.00 -0.77 0.00 0.00 57.85 54.61 2jg8 n ARG 92 Cb 0.14 -1.51 -0.03 0.00 -1.02 0.00 0.00 32.46 30.04 2jg8 n ARG 92 CO 0.00 0.00 0.00 -2.14 -1.52 0.00 0.00 177.63 173.97 2jg8 s PRO 93 N -1.36 4.21 -0.26 5.56 0.02 -1.26 -4.59 135.00 137.32 2jg8 s PRO 93 Ca 0.36 2.30 -0.17 0.00 0.02 0.00 0.00 61.00 63.50 2jg8 s PRO 93 Cb 0.21 -3.58 0.07 0.00 0.02 0.00 0.00 34.50 31.23 2jg8 s PRO 93 CO 0.20 -0.71 0.65 0.00 -0.33 0.00 0.00 177.00 176.81 2jg8 s ALA 94 N 2.55 -1.72 0.04 -1.55 0.00 -0.99 -1.89 121.76 118.20 2jg8 s ALA 94 Ca 0.73 2.17 -0.04 0.00 0.00 0.00 0.00 51.96 54.81 2jg8 s ALA 94 Cb -0.39 -1.28 -0.02 0.00 0.00 0.00 0.00 23.12 21.44 2jg8 s ALA 94 CO 0.32 -0.35 0.07 -0.59 0.00 0.00 0.00 175.76 175.21 2jg8 s PHE 95 N 1.23 0.26 -0.01 0.00 -0.12 -0.35 0.17 117.98 119.16 2jg8 s PHE 95 Ca -0.07 -0.62 0.00 0.00 -0.05 0.00 0.00 56.93 56.20 2jg8 s PHE 95 Cb -0.05 -0.19 0.01 0.00 -0.63 0.00 0.00 43.02 42.16 2jg8 s PHE 95 CO -0.13 -0.37 -0.00 -1.12 -0.05 0.00 0.00 175.22 173.55 2jg8 s SER 96 N -2.27 0.18 0.01 1.98 0.01 -0.15 -1.60 113.70 111.87 2jg8 s SER 96 Ca -0.03 -0.01 0.00 0.00 1.31 0.00 0.00 55.95 57.22 2jg8 s SER 96 Cb 0.00 -0.06 -0.01 0.00 0.21 0.00 0.00 66.02 66.16 2jg8 s SER 96 CO -0.06 -0.03 -0.02 0.00 0.41 0.00 0.00 173.24 173.54 2jg8 s ALA 97 N 0.35 0.13 0.41 1.44 0.00 0.80 -1.34 121.76 123.56 2jg8 s ALA 97 Ca -0.03 -0.36 0.05 0.00 0.00 0.00 0.00 51.96 51.62 2jg8 s ALA 97 Cb -0.05 0.07 -0.06 0.00 0.00 0.00 0.00 23.12 23.07 2jg8 s ALA 97 CO -0.01 -0.07 0.02 0.96 0.00 0.00 0.00 175.76 176.66 2jg8 s ILE 98 N -0.83 1.64 -0.13 0.00 -4.36 0.45 -0.42 121.20 117.55 2jg8 s ILE 98 Ca -0.08 -2.00 -0.06 0.00 -0.26 0.00 0.00 60.65 58.24 2jg8 s ILE 98 Cb -0.06 -2.79 -0.04 0.00 1.25 0.00 0.00 42.46 40.82 2jg8 s ILE 98 CO -0.00 0.00 0.10 -0.13 0.24 0.00 0.00 174.94 175.15 2jg8 s ARG 99 N -3.77 3.47 0.00 0.37 0.52 -1.09 -0.93 118.95 117.52 2jg8 s ARG 99 Ca 0.30 -0.22 0.00 0.00 -0.52 0.00 0.00 55.73 55.29 2jg8 s ARG 99 Cb 0.08 -3.13 0.00 0.00 0.52 0.00 0.00 34.95 32.42 2jg8 s ARG 99 CO 0.15 0.66 0.00 0.54 0.02 0.00 0.00 175.30 176.67 2jg8 n ARG 100 N 2.33 0.00 -2.93 3.54 1.74 -1.26 -4.71 116.66 115.36 2jg8 n ARG 100 Ca -0.19 0.00 -0.23 0.00 -0.77 0.00 0.00 57.85 56.66 2jg8 n ARG 100 Cb 0.54 -0.05 -0.03 0.00 -1.02 0.00 0.00 32.46 31.91 2jg8 n ARG 100 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2jg8 n ASN 101 N -2.03 3.14 -4.74 0.55 3.02 -1.26 -4.87 115.26 109.06 2jg8 n ASN 101 Ca 0.00 -3.40 -0.41 0.00 -0.03 0.00 0.00 54.58 50.74 2jg8 n ASN 101 Cb 0.00 -0.56 -0.04 0.00 -0.61 0.00 0.00 39.78 38.57 2jg8 n ASN 101 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 2jg8 s PRO 102 N -3.13 4.64 0.07 3.52 0.04 -1.26 -4.88 135.00 133.99 2jg8 s PRO 102 Ca 0.44 1.67 -0.31 0.00 0.04 0.00 0.00 61.00 62.84 2jg8 s PRO 102 Cb 0.33 -3.28 -0.08 0.00 0.04 0.00 0.00 34.50 31.51 2jg8 s PRO 102 CO -0.11 0.14 1.63 -1.25 0.04 0.00 0.00 177.00 177.45 2jg8 s PRO 103 N -0.48 4.20 0.00 0.56 0.04 -1.26 -5.01 135.00 133.05 2jg8 s PRO 103 Ca 0.48 2.30 0.00 0.00 0.04 0.00 0.00 61.00 63.82 2jg8 s PRO 103 Cb -0.28 -3.59 0.00 0.00 0.04 0.00 0.00 34.50 30.67 2jg8 s PRO 103 CO 0.34 -0.72 0.00 0.00 0.04 0.00 0.00 177.00 176.67 2jg8 n MET 104 N 5.54 -0.11 0.00 4.56 0.00 -1.26 -4.71 117.12 121.14 2jg8 n MET 104 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.86 2jg8 n MET 104 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.63 2jg8 n MET 104 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2jg8 n GLY 105 N 4.44 2.12 2.60 3.17 0.00 -1.26 -5.08 105.19 111.18 2jg8 n GLY 105 Ca 0.00 -1.52 0.07 0.00 0.00 0.00 0.00 46.02 44.58 2jg8 n GLY 105 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jg8 n GLY 106 N 2.13 -1.90 0.45 -0.02 0.00 -1.26 -4.51 105.19 100.08 2jg8 n GLY 106 Ca 0.00 -1.30 0.10 0.00 0.00 0.00 0.00 46.02 44.83 2jg8 n GLY 106 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2jg8 n ASN 107 N -2.25 1.91 -4.71 1.61 3.02 -1.26 -4.90 115.26 108.68 2jg8 n ASN 107 Ca 0.00 -1.45 -0.42 0.00 -0.03 0.00 0.00 54.58 52.68 2jg8 n ASN 107 Cb 0.25 0.50 -0.03 0.00 -0.61 0.00 0.00 39.78 39.88 2jg8 n ASN 107 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2jg8 s VAL 108 N -2.36 3.94 -0.43 2.41 1.01 -1.26 0.09 120.40 123.80 2jg8 s VAL 108 Ca 0.17 1.39 -0.23 0.00 0.00 0.00 0.00 61.98 63.32 2jg8 s VAL 108 Cb 0.17 -3.89 0.02 0.00 0.00 0.00 0.00 36.38 32.68 2jg8 s VAL 108 CO 0.54 0.11 0.75 -0.69 0.00 0.00 0.00 175.10 175.82 2jg8 s VAL 109 N 1.05 4.70 -0.21 2.92 1.01 0.18 -4.89 120.40 125.16 2jg8 s VAL 109 Ca 0.59 0.47 -0.17 0.00 0.00 0.00 0.00 61.98 62.87 2jg8 s VAL 109 Cb -0.30 -4.27 -0.04 0.00 0.00 0.00 0.00 36.38 31.77 2jg8 s VAL 109 CO 0.29 -0.63 0.45 -0.63 0.00 0.00 0.00 175.10 174.58 2jg8 s ILE 110 N 3.15 5.16 -0.48 2.22 1.01 -1.26 -4.56 121.20 126.45 2jg8 s ILE 110 Ca 0.29 0.80 -0.14 0.00 0.00 0.00 0.00 60.65 61.59 2jg8 s ILE 110 Cb -0.13 -3.77 0.09 0.00 0.01 0.00 0.00 42.46 38.66 2jg8 s ILE 110 CO 0.21 0.21 0.39 -0.36 0.00 0.00 0.00 174.94 175.38 2jg8 s PHE 111 N 1.54 3.28 -0.33 3.97 0.40 -1.26 -4.78 117.98 120.79 2jg8 s PHE 111 Ca 0.21 -1.18 0.23 0.00 -0.60 0.00 0.00 56.93 55.59 2jg8 s PHE 111 Cb -0.15 -3.28 0.16 0.00 0.51 0.00 0.00 43.02 40.27 2jg8 s PHE 111 CO 0.09 -0.86 1.32 0.38 0.70 0.00 0.00 175.22 176.84 2jg8 h ASP 112 N 8.69 0.00 -3.62 1.36 2.03 -1.57 -3.42 116.42 119.88 2jg8 h ASP 112 Ca -0.27 0.00 -0.69 0.00 -0.73 0.00 0.00 57.03 55.34 2jg8 h ASP 112 Cb 1.10 0.00 -0.23 0.00 -0.83 0.00 0.00 39.33 39.37 2jg8 h ASP 112 CO 0.89 0.00 -0.54 -0.89 -1.03 0.00 0.00 179.24 177.68 2jg8 s THR 113 N -3.29 4.61 -0.03 1.15 2.01 -0.10 -4.89 115.64 115.10 2jg8 s THR 113 Ca 0.03 -0.61 -0.27 0.00 0.31 0.00 0.00 61.69 61.15 2jg8 s THR 113 Cb 0.07 -3.45 -0.03 0.00 0.01 0.00 0.00 72.50 69.10 2jg8 s THR 113 CO 0.73 -0.07 0.85 -0.69 -0.69 0.00 0.00 174.62 174.75 2jg8 s VAL 114 N 1.59 4.95 -0.27 3.82 1.01 -1.26 -0.41 120.40 129.83 2jg8 s VAL 114 Ca 0.03 1.76 -0.09 0.00 0.00 0.00 0.00 61.98 63.68 2jg8 s VAL 114 Cb -0.18 -4.19 -0.13 0.00 0.00 0.00 0.00 36.38 31.89 2jg8 s VAL 114 CO 0.07 0.21 -0.31 -0.38 0.00 0.00 0.00 175.10 174.68 2jg8 n ILE 115 N 3.83 1.47 -3.90 2.22 2.08 -0.45 -4.97 119.36 119.66 2jg8 n ILE 115 Ca 0.02 -0.42 -0.12 0.00 0.56 0.00 0.00 62.75 62.79 2jg8 n ILE 115 Cb 0.51 -1.74 -0.14 0.00 -0.75 0.00 0.00 39.64 37.52 2jg8 n ILE 115 CO 0.00 0.00 0.00 -0.89 0.56 0.00 0.00 176.55 176.22 2jg8 s THR 116 N -2.50 0.04 -0.45 1.39 2.01 -0.95 -4.94 115.64 110.24 2jg8 s THR 116 Ca -0.37 -0.05 0.07 0.00 0.31 0.00 0.00 61.69 61.65 2jg8 s THR 116 Cb 0.13 -0.05 0.26 0.00 0.01 0.00 0.00 72.50 72.85 2jg8 s THR 116 CO 0.50 -0.01 0.82 -3.20 -0.69 0.00 0.00 174.62 172.04 2jg8 n ASN 117 N 3.01 -1.83 -4.67 3.53 2.85 -1.24 -0.98 115.26 115.93 2jg8 n ASN 117 Ca -0.13 -3.18 -0.43 0.00 -0.11 0.00 0.00 54.58 50.73 2jg8 n ASN 117 Cb 0.60 1.07 -0.02 0.00 1.24 0.00 0.00 39.78 42.67 2jg8 n ASN 117 CO 0.00 0.00 0.00 -1.58 -2.11 0.00 0.00 177.26 173.57 2jg8 s GLN 118 N -0.02 4.27 0.00 1.20 2.00 0.13 -1.20 119.66 126.03 2jg8 s GLN 118 Ca 0.32 1.60 0.00 0.00 -2.00 0.00 0.00 55.36 55.28 2jg8 s GLN 118 Cb 0.23 -3.69 0.00 0.00 0.80 0.00 0.00 33.01 30.35 2jg8 s GLN 118 CO -0.18 -0.62 0.00 0.39 -0.50 0.00 0.00 175.29 174.38 2jg8 n GLU 119 N 6.19 -0.10 -4.27 1.67 -0.58 -1.26 -2.35 120.64 119.94 2jg8 n GLU 119 Ca 0.13 0.02 -0.33 0.00 -0.42 0.00 0.00 57.16 56.56 2jg8 n GLU 119 Cb 0.45 -3.07 -0.07 0.00 -0.57 0.00 0.00 31.44 28.18 2jg8 n GLU 119 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 2jg8 n GLU 120 N -2.74 -1.77 0.16 3.49 1.02 -0.34 -4.86 120.64 115.60 2jg8 n GLU 120 Ca 0.00 0.21 0.03 0.00 -0.02 0.00 0.00 57.16 57.38 2jg8 n GLU 120 Cb 0.02 -4.25 0.20 0.00 -0.02 0.00 0.00 31.44 27.39 2jg8 n GLU 120 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 2jg8 h PRO 121 N -1.58 0.00 -5.81 3.49 0.13 -1.80 -3.45 132.00 122.98 2jg8 h PRO 121 Ca -0.63 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 63.92 2jg8 h PRO 121 Cb 1.39 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.45 2jg8 h PRO 121 CO 0.74 0.50 -0.13 -0.47 -0.23 0.00 0.00 178.00 178.41 2jg8 s TYR 122 N -3.36 3.56 -0.41 1.56 5.04 -1.26 -1.35 117.35 121.13 2jg8 s TYR 122 Ca 0.01 0.94 -0.09 0.00 -2.44 0.00 0.00 57.07 55.49 2jg8 s TYR 122 Cb 0.10 -2.53 0.07 0.00 0.35 0.00 0.00 41.96 39.96 2jg8 s TYR 122 CO 0.72 0.25 0.24 -0.65 -1.34 0.00 0.00 175.55 174.77 2jg8 s GLN 123 N 0.31 2.58 0.25 4.97 -1.52 0.23 -4.97 119.66 121.52 2jg8 s GLN 123 Ca 0.26 -1.44 0.23 0.00 -1.95 0.00 0.00 55.36 52.46 2jg8 s GLN 123 Cb -0.16 -3.74 0.97 0.00 -0.22 0.00 0.00 33.01 29.87 2jg8 s GLN 123 CO 0.11 -0.93 1.70 0.27 -0.25 0.00 0.00 175.29 176.20 2jg8 n ASN 124 N 4.89 0.64 0.12 5.90 0.23 -1.26 -0.72 115.26 125.05 2jg8 n ASN 124 Ca -0.10 0.66 0.01 0.00 -0.53 0.00 0.00 54.58 54.62 2jg8 n ASN 124 Cb 0.43 -0.80 -0.01 0.00 -2.08 0.00 0.00 39.78 37.33 2jg8 n ASN 124 CO 0.00 0.00 0.00 1.12 -0.93 0.00 0.00 177.26 177.45 2jg8 h HIS 125 N 0.00 0.00 0.00 -2.53 2.07 -1.90 -3.39 115.15 109.41 2jg8 h HIS 125 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 2jg8 h HIS 125 Cb 0.34 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.32 2jg8 h HIS 125 CO 0.00 0.58 -1.28 -1.13 -3.07 0.00 0.00 177.93 173.03 2jg8 n SER 126 N -3.20 3.32 0.00 3.10 3.41 -0.81 -4.95 113.62 114.48 2jg8 n SER 126 Ca 0.00 -0.02 0.00 0.00 -0.26 0.00 0.00 58.87 58.59 2jg8 n SER 126 Cb 0.78 1.30 0.00 0.00 -0.26 0.00 0.00 64.21 66.03 2jg8 n SER 126 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2jg8 n GLY 127 N 2.08 0.44 3.56 5.00 0.00 0.10 -4.73 105.19 111.65 2jg8 n GLY 127 Ca -0.01 -0.61 -0.34 0.00 0.00 0.00 0.00 46.02 45.05 2jg8 n GLY 127 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2jg8 s ARG 128 N -1.12 3.58 -0.04 1.61 0.52 -1.19 -4.41 118.95 117.90 2jg8 s ARG 128 Ca 0.00 -0.46 -0.18 0.00 -0.52 0.00 0.00 55.73 54.56 2jg8 s ARG 128 Cb 0.00 -2.94 -0.05 0.00 0.52 0.00 0.00 34.95 32.48 2jg8 s ARG 128 CO 0.00 0.35 0.50 0.12 0.02 0.00 0.00 175.30 176.29 2jg8 s PHE 129 N 0.10 3.64 -0.16 -0.53 5.36 0.98 -0.60 117.98 126.77 2jg8 s PHE 129 Ca 0.01 1.04 -0.00 0.00 -0.96 0.00 0.00 56.93 57.02 2jg8 s PHE 129 Cb -0.13 -2.50 -0.00 0.00 -0.34 0.00 0.00 43.02 40.04 2jg8 s PHE 129 CO 0.02 0.37 -0.14 0.08 -1.46 0.00 0.00 175.22 174.09 2jg8 s VAL 130 N -0.18 2.75 -0.12 3.12 1.01 -0.46 -0.28 120.40 126.26 2jg8 s VAL 130 Ca 0.27 -0.74 -0.30 0.00 0.00 0.00 0.00 61.98 61.22 2jg8 s VAL 130 Cb -0.17 -2.17 -0.02 0.00 0.00 0.00 0.00 36.38 34.03 2jg8 s VAL 130 CO 0.14 0.51 1.12 0.00 0.00 0.00 0.00 175.10 176.87 2jg8 n THR 132 N 4.83 1.41 -3.33 0.00 -1.04 -1.26 -0.27 114.28 114.62 2jg8 n THR 132 Ca 0.11 -0.38 -0.39 0.00 -2.04 0.00 0.00 64.05 61.35 2jg8 n THR 132 Cb 0.47 -1.79 -0.08 0.00 -1.82 0.00 0.00 70.33 67.11 2jg8 n THR 132 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2jg8 s VAL 133 N -2.47 5.15 0.37 12.58 1.01 -1.26 -4.66 120.40 131.12 2jg8 s VAL 133 Ca -0.36 0.75 -0.26 0.00 0.00 0.00 0.00 61.98 62.12 2jg8 s VAL 133 Cb 0.13 -3.76 -0.09 0.00 0.00 0.00 0.00 36.38 32.66 2jg8 s VAL 133 CO 0.47 0.19 1.11 -2.84 0.00 0.00 0.00 175.10 174.03 2jg8 s PRO 134 N 1.72 4.25 0.00 2.72 0.02 -1.26 -4.85 135.00 137.60 2jg8 s PRO 134 Ca 0.19 1.73 0.00 0.00 0.02 0.00 0.00 61.00 62.94 2jg8 s PRO 134 Cb -0.15 -2.77 0.00 0.00 0.02 0.00 0.00 34.50 31.60 2jg8 s PRO 134 CO 0.09 -0.12 0.00 0.41 -0.33 0.00 0.00 177.00 177.05 2jg8 n GLY 135 N 0.69 -0.98 3.70 0.52 0.00 -0.79 -2.04 105.19 106.29 2jg8 n GLY 135 Ca 0.03 -1.38 -0.37 0.00 0.00 0.00 0.00 46.02 44.30 2jg8 n GLY 135 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2jg8 s TYR 136 N -2.73 3.42 0.08 1.61 1.51 -0.11 -0.92 117.35 120.21 2jg8 s TYR 136 Ca 0.00 0.63 0.09 0.00 -1.01 0.00 0.00 57.07 56.78 2jg8 s TYR 136 Cb 0.00 -2.46 -0.03 0.00 -0.11 0.00 0.00 41.96 39.36 2jg8 s TYR 136 CO 0.00 0.10 -0.24 0.71 -1.11 0.00 0.00 175.55 175.00 2jg8 s TYR 137 N 0.93 2.11 -0.15 2.71 1.51 -0.42 0.12 117.35 124.17 2jg8 s TYR 137 Ca 0.19 -0.40 -0.07 0.00 -1.01 0.00 0.00 57.07 55.78 2jg8 s TYR 137 Cb -0.14 -1.21 -0.04 0.00 -0.11 0.00 0.00 41.96 40.45 2jg8 s TYR 137 CO 0.07 0.19 0.10 -0.47 -1.11 0.00 0.00 175.55 174.32 2jg8 s TYR 138 N -0.93 3.39 -0.02 2.71 5.04 0.23 -0.72 117.35 127.05 2jg8 s TYR 138 Ca 0.10 0.30 0.05 0.00 -2.44 0.00 0.00 57.07 55.08 2jg8 s TYR 138 Cb -0.10 -2.02 -0.01 0.00 0.35 0.00 0.00 41.96 40.18 2jg8 s TYR 138 CO 0.03 0.42 -0.17 -0.06 -1.34 0.00 0.00 175.55 174.43 2jg8 s PHE 139 N -0.24 1.56 0.03 4.97 0.40 -0.45 -1.15 117.98 123.10 2jg8 s PHE 139 Ca 0.09 -0.34 -0.11 0.00 -0.60 0.00 0.00 56.93 55.97 2jg8 s PHE 139 Cb -0.12 -1.02 0.01 0.00 0.51 0.00 0.00 43.02 42.41 2jg8 s PHE 139 CO 0.01 -0.06 0.24 -0.08 0.70 0.00 0.00 175.22 176.03 2jg8 s THR 140 N -0.27 0.09 0.01 0.64 -1.32 -0.54 -0.87 115.64 113.38 2jg8 s THR 140 Ca 0.04 -0.75 -0.01 0.00 -1.21 0.00 0.00 61.69 59.75 2jg8 s THR 140 Cb -0.08 -0.84 -0.01 0.00 -1.51 0.00 0.00 72.50 70.06 2jg8 s THR 140 CO 0.00 -0.41 0.01 0.72 -2.21 0.00 0.00 174.62 172.73 2jg8 s PHE 141 N -2.28 0.15 -0.25 9.09 -0.12 -0.23 -1.52 117.98 122.82 2jg8 s PHE 141 Ca -0.07 -0.31 -0.01 0.00 -0.05 0.00 0.00 56.93 56.49 2jg8 s PHE 141 Cb -0.02 -0.12 0.08 0.00 -0.63 0.00 0.00 43.02 42.33 2jg8 s PHE 141 CO -0.02 -0.16 0.05 -0.65 -0.05 0.00 0.00 175.22 174.39 2jg8 s GLN 142 N -1.07 0.83 -0.11 1.99 1.11 -0.66 -2.35 119.66 119.41 2jg8 s GLN 142 Ca -0.12 -0.81 0.04 0.00 0.01 0.00 0.00 55.36 54.48 2jg8 s GLN 142 Cb -0.07 -2.13 -0.00 0.00 -1.01 0.00 0.00 33.01 29.79 2jg8 s GLN 142 CO -0.00 -0.79 -0.23 0.08 0.01 0.00 0.00 175.29 174.36 2jg8 s VAL 143 N 1.68 2.14 -0.05 1.09 1.01 0.16 -1.18 120.40 125.24 2jg8 s VAL 143 Ca 0.03 -0.99 -0.24 0.00 0.00 0.00 0.00 61.98 60.79 2jg8 s VAL 143 Cb -0.17 -1.82 -0.04 0.00 0.00 0.00 0.00 36.38 34.35 2jg8 s VAL 143 CO -0.15 0.56 0.71 -0.22 0.00 0.00 0.00 175.10 175.99 2jg8 s LEU 144 N 0.39 4.33 0.13 3.92 2.96 -1.26 -1.21 118.68 127.94 2jg8 s LEU 144 Ca -0.17 1.22 0.02 0.00 -0.22 0.00 0.00 54.13 54.98 2jg8 s LEU 144 Cb -0.18 -3.10 -0.04 0.00 0.50 0.00 0.00 46.19 43.37 2jg8 s LEU 144 CO 0.08 -0.10 -0.04 -0.55 -1.32 0.00 0.00 176.35 174.42 2jg8 s SER 145 N 0.70 1.18 -0.00 3.68 0.15 -0.11 -0.73 113.70 118.57 2jg8 s SER 145 Ca 0.38 -1.08 0.01 0.00 0.70 0.00 0.00 55.95 55.96 2jg8 s SER 145 Cb -0.18 0.10 -0.01 0.00 -1.71 0.00 0.00 66.02 64.23 2jg8 s SER 145 CO 0.19 -0.51 0.02 0.00 1.20 0.00 0.00 173.24 174.14 2jg8 n GLN 146 N -0.13 3.76 0.00 5.44 6.02 -1.26 -0.57 117.38 130.64 2jg8 n GLN 146 Ca -0.10 -0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.89 2jg8 n GLN 146 Cb 0.62 -0.75 0.00 0.00 1.02 0.00 0.00 30.24 31.13 2jg8 n GLN 146 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 177.06 176.96 2jg8 n TRP 147 N -1.24 0.00 -5.13 1.08 7.02 -1.26 -0.22 117.44 117.69 2jg8 n TRP 147 Ca 0.00 0.00 -0.30 0.00 -1.02 0.00 0.00 57.50 56.18 2jg8 n TRP 147 Cb 0.01 0.00 -0.16 0.00 -2.42 0.00 0.00 31.31 28.74 2jg8 n TRP 147 CO 0.00 0.00 0.00 -1.21 -2.02 0.00 0.00 177.69 174.46 2jg8 s GLU 148 N 1.22 2.31 -0.11 -0.99 2.02 -1.26 -1.61 118.70 120.27 2jg8 s GLU 148 Ca 0.00 -0.81 -0.05 0.00 0.02 0.00 0.00 54.97 54.13 2jg8 s GLU 148 Cb 0.00 -1.97 0.05 0.00 0.10 0.00 0.00 34.13 32.31 2jg8 s GLU 148 CO 0.00 0.33 0.26 -1.50 0.02 0.00 0.00 175.26 174.37 2jg8 s ILE 149 N -0.09 -0.12 -0.11 -1.63 2.07 -0.63 -1.25 121.20 119.44 2jg8 s ILE 149 Ca -0.04 0.17 0.02 0.00 -1.41 0.00 0.00 60.65 59.39 2jg8 s ILE 149 Cb -0.13 -0.41 0.01 0.00 0.13 0.00 0.00 42.46 42.07 2jg8 s ILE 149 CO 0.03 0.07 -0.16 0.00 -1.91 0.00 0.00 174.94 172.98 2jg8 s LEU 151 N 0.93 2.30 -0.01 0.00 1.43 0.04 -0.76 118.68 122.61 2jg8 s LEU 151 Ca -0.08 -0.69 0.01 0.00 -1.03 0.00 0.00 54.13 52.35 2jg8 s LEU 151 Cb -0.15 -0.94 -0.00 0.00 0.03 0.00 0.00 46.19 45.13 2jg8 s LEU 151 CO -0.01 0.08 -0.04 -0.55 0.23 0.00 0.00 176.35 176.07 2jg8 s SER 152 N -1.90 0.49 -0.32 2.29 0.15 0.40 -0.57 113.70 114.25 2jg8 s SER 152 Ca 0.08 -0.07 -0.23 0.00 0.70 0.00 0.00 55.95 56.42 2jg8 s SER 152 Cb -0.10 -0.07 0.00 0.00 -1.71 0.00 0.00 66.02 64.14 2jg8 s SER 152 CO 0.04 0.04 0.79 -0.63 1.20 0.00 0.00 173.24 174.68 2jg8 s ILE 153 N -0.01 4.77 0.08 6.45 1.01 -1.25 -0.90 121.20 131.36 2jg8 s ILE 153 Ca 0.01 1.09 0.06 0.00 0.00 0.00 0.00 60.65 61.80 2jg8 s ILE 153 Cb -0.03 -4.17 -0.04 0.00 0.01 0.00 0.00 42.46 38.24 2jg8 s ILE 153 CO -0.00 -0.31 -0.06 -0.69 0.00 0.00 0.00 174.94 173.88 2jg8 s VAL 154 N 3.00 3.63 0.31 2.92 1.01 0.22 -4.17 120.40 127.32 2jg8 s VAL 154 Ca 0.32 -1.08 0.03 0.00 0.00 0.00 0.00 61.98 61.25 2jg8 s VAL 154 Cb -0.14 -2.68 -0.05 0.00 0.00 0.00 0.00 36.38 33.52 2jg8 s VAL 154 CO 0.14 0.17 0.11 -0.94 0.00 0.00 0.00 175.10 174.58 2jg8 s SER 155 N -2.07 1.81 -0.01 3.32 1.04 -0.92 -1.04 113.70 115.83 2jg8 s SER 155 Ca 0.22 -1.47 -0.07 0.00 0.48 0.00 0.00 55.95 55.10 2jg8 s SER 155 Cb -0.11 0.22 0.00 0.00 0.10 0.00 0.00 66.02 66.23 2jg8 s SER 155 CO 0.14 -0.77 0.15 -0.94 0.98 0.00 0.00 173.24 172.79 2jg8 s SER 156 N -3.42 -0.01 -0.07 7.02 1.04 0.06 0.09 113.70 118.40 2jg8 s SER 156 Ca 0.35 -0.12 0.00 0.00 0.48 0.00 0.00 55.95 56.66 2jg8 s SER 156 Cb 0.06 0.23 0.02 0.00 0.10 0.00 0.00 66.02 66.44 2jg8 s SER 156 CO 0.15 -0.33 -0.05 -0.55 0.98 0.00 0.00 173.24 173.44 2jg8 s SER 157 N -1.17 1.59 -1.77 7.02 0.15 -0.94 -2.23 113.70 116.35 2jg8 s SER 157 Ca -0.13 -0.18 -0.00 0.00 0.70 0.00 0.00 55.95 56.34 2jg8 s SER 157 Cb -0.07 -0.60 0.00 0.00 -1.71 0.00 0.00 66.02 63.64 2jg8 s SER 157 CO 0.01 -0.10 0.02 0.54 1.20 0.00 0.00 173.24 174.91 2jg8 n ARG 158 N 4.61 -1.82 -0.24 5.44 1.74 -1.26 -1.82 116.66 123.30 2jg8 n ARG 158 Ca -0.16 1.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.93 2jg8 n ARG 158 Cb 0.50 -5.68 0.00 0.00 -1.02 0.00 0.00 32.46 26.27 2jg8 n ARG 158 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2jg8 n GLY 159 N -1.03 2.49 3.69 -0.13 0.00 -1.26 -5.00 105.19 103.95 2jg8 n GLY 159 Ca -0.24 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.36 2jg8 n GLY 159 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2jg8 s GLN 160 N -0.00 4.45 0.16 1.61 -1.52 -0.76 -5.02 119.66 118.58 2jg8 s GLN 160 Ca 0.00 1.30 -0.30 0.00 -1.95 0.00 0.00 55.36 54.41 2jg8 s GLN 160 Cb 0.00 -3.51 -0.07 0.00 -0.22 0.00 0.00 33.01 29.20 2jg8 s GLN 160 CO 0.00 -0.20 1.08 0.08 -0.25 0.00 0.00 175.29 176.00 2jg8 s VAL 161 N 1.62 3.97 -0.36 1.09 1.01 -1.26 -2.21 120.40 124.25 2jg8 s VAL 161 Ca 0.47 1.67 0.03 0.00 0.00 0.00 0.00 61.98 64.16 2jg8 s VAL 161 Cb -0.19 -4.07 0.10 0.00 0.00 0.00 0.00 36.38 32.23 2jg8 s VAL 161 CO 0.20 0.28 0.09 -0.13 0.00 0.00 0.00 175.10 175.53 2jg8 s ARG 162 N -0.25 1.59 0.71 2.72 0.52 0.11 -4.98 118.95 119.37 2jg8 s ARG 162 Ca 0.49 -1.94 -0.12 0.00 -0.52 0.00 0.00 55.73 53.64 2jg8 s ARG 162 Cb -0.28 -3.27 0.02 0.00 0.52 0.00 0.00 34.95 31.94 2jg8 s ARG 162 CO 0.34 -0.97 1.09 1.03 0.02 0.00 0.00 175.30 176.81 2jg8 s ARG 163 N 0.83 2.63 0.00 3.54 1.81 -1.26 -2.16 118.95 124.34 2jg8 s ARG 163 Ca 0.11 1.20 0.00 0.00 -1.72 0.00 0.00 55.73 55.32 2jg8 s ARG 163 Cb -0.20 -1.94 0.00 0.00 -0.45 0.00 0.00 34.95 32.36 2jg8 s ARG 163 CO -0.07 -1.36 0.00 0.45 -0.68 0.00 0.00 175.30 173.64 2jg8 n SER 164 N -2.99 0.00 -4.78 0.23 2.88 -1.26 -4.95 113.62 102.76 2jg8 n SER 164 Ca 0.09 0.00 -0.31 0.00 -1.33 0.00 0.00 58.87 57.32 2jg8 n SER 164 Cb 0.53 0.00 0.09 0.00 -0.75 0.00 0.00 64.21 64.07 2jg8 n SER 164 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 2jg8 s LEU 165 N 0.00 3.02 0.32 2.46 2.01 -1.26 -4.91 118.68 120.32 2jg8 s LEU 165 Ca 0.00 1.77 0.06 0.00 0.01 0.00 0.00 54.13 55.97 2jg8 s LEU 165 Cb 0.00 -4.49 -0.06 0.00 0.01 0.00 0.00 46.19 41.65 2jg8 s LEU 165 CO 0.00 -1.94 -0.03 -0.83 1.01 0.00 0.00 176.35 174.56 2jg8 s GLY 166 N -3.48 2.03 -0.11 -3.19 0.00 -1.26 -3.78 107.32 97.54 2jg8 s GLY 166 Ca 0.61 -2.02 -0.07 0.00 0.00 0.00 0.00 44.72 43.23 2jg8 s GLY 166 CO 0.56 -1.90 0.27 -1.36 0.00 0.00 0.00 173.10 170.67 2jg8 s PHE 167 N -2.98 -0.35 0.05 1.90 0.40 0.27 -4.97 117.98 112.30 2jg8 s PHE 167 Ca 0.32 0.82 0.04 0.00 -0.60 0.00 0.00 56.93 57.51 2jg8 s PHE 167 Cb 0.06 0.09 -0.02 0.00 0.51 0.00 0.00 43.02 43.65 2jg8 s PHE 167 CO 0.14 -0.21 -0.11 0.00 0.70 0.00 0.00 175.22 175.74 2jg8 s ASP 169 N -1.51 2.48 -0.17 0.00 -1.08 -0.36 -4.96 116.67 111.06 2jg8 s ASP 169 Ca -0.05 -0.42 0.15 0.00 -0.52 0.00 0.00 52.55 51.71 2jg8 s ASP 169 Cb -0.09 -1.00 0.36 0.00 -1.46 0.00 0.00 42.92 40.72 2jg8 s ASP 169 CO 0.01 -0.10 1.18 0.35 0.52 0.00 0.00 175.17 177.14 2jg8 n THR 170 N 4.86 2.02 -0.32 1.71 -2.24 -1.26 -1.61 114.28 117.43 2jg8 n THR 170 Ca -0.14 -2.74 0.09 0.00 -2.27 0.00 0.00 64.05 58.99 2jg8 n THR 170 Cb 0.50 -0.22 0.25 0.00 -2.10 0.00 0.00 70.33 68.76 2jg8 n THR 170 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 2jg8 h THR 171 N 0.65 0.75 -6.13 4.28 2.02 -1.96 -3.46 112.91 109.06 2jg8 h THR 171 Ca -0.00 -0.24 -0.43 0.00 0.77 0.00 0.00 66.41 66.51 2jg8 h THR 171 Cb 1.01 -0.03 0.04 0.00 -1.74 0.00 0.00 68.15 67.44 2jg8 h THR 171 CO 0.00 0.13 -0.82 -3.20 0.37 0.00 0.00 175.52 172.00 2jg8 n ASN 172 N -4.81 -1.62 0.00 4.18 4.05 -0.63 -4.88 115.26 111.55 2jg8 n ASN 172 Ca 0.19 -0.82 0.00 0.00 0.45 0.00 0.00 54.58 54.40 2jg8 n ASN 172 Cb 0.46 -4.01 0.00 0.00 1.23 0.00 0.00 39.78 37.46 2jg8 n ASN 172 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 177.26 174.50 2jg8 n LYS 173 N -4.33 0.56 -0.95 1.20 4.76 -1.23 -4.97 118.16 113.20 2jg8 n LYS 173 Ca -0.26 -0.85 0.00 0.00 -2.87 0.00 0.00 58.31 54.34 2jg8 n LYS 173 Cb 0.66 -0.96 0.00 0.00 -1.84 0.00 0.00 35.03 32.89 2jg8 n LYS 173 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2jg8 n GLY 174 N -0.19 0.50 3.52 0.72 0.00 0.69 -5.04 105.19 105.40 2jg8 n GLY 174 Ca 0.00 -0.22 -0.30 0.00 0.00 0.00 0.00 46.02 45.49 2jg8 n GLY 174 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2jg8 s LEU 175 N 0.00 2.85 -0.26 0.99 1.43 -1.17 -4.90 118.68 117.61 2jg8 s LEU 175 Ca 0.00 -0.40 -0.41 0.00 -1.03 0.00 0.00 54.13 52.30 2jg8 s LEU 175 Cb 0.00 -1.67 -0.16 0.00 0.03 0.00 0.00 46.19 44.38 2jg8 s LEU 175 CO 0.00 0.22 1.66 0.49 0.23 0.00 0.00 176.35 178.95 2jg8 n PHE 176 N 1.14 1.92 -4.48 0.29 0.99 -1.26 -4.39 117.46 111.66 2jg8 n PHE 176 Ca -0.15 0.65 -0.21 0.00 -0.00 0.00 0.00 57.45 57.74 2jg8 n PHE 176 Cb 0.52 -2.40 -0.14 0.00 -1.00 0.00 0.00 39.48 36.46 2jg8 n PHE 176 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.76 176.11 2jg8 s GLN 177 N 3.04 0.97 -0.25 -1.08 -1.52 0.27 -5.00 119.66 116.09 2jg8 s GLN 177 Ca 0.98 -0.55 -0.08 0.00 -1.95 0.00 0.00 55.36 53.76 2jg8 s GLN 177 Cb -1.13 -0.95 -0.03 0.00 -0.22 0.00 0.00 33.01 30.68 2jg8 s GLN 177 CO 0.66 0.25 0.08 0.08 -0.25 0.00 0.00 175.29 176.11 2jg8 s VAL 178 N -0.49 4.40 -0.01 1.09 1.01 -1.26 -0.93 120.40 124.21 2jg8 s VAL 178 Ca 0.03 -0.14 -0.11 0.00 0.00 0.00 0.00 61.98 61.77 2jg8 s VAL 178 Cb -0.06 -3.06 -0.05 0.00 0.00 0.00 0.00 36.38 33.21 2jg8 s VAL 178 CO 0.00 0.33 0.32 0.54 0.00 0.00 0.00 175.10 176.29 2jg8 s VAL 179 N 1.63 5.19 0.05 2.92 0.11 -0.35 -4.90 120.40 125.06 2jg8 s VAL 179 Ca 0.06 0.51 -0.01 0.00 -2.93 0.00 0.00 61.98 59.62 2jg8 s VAL 179 Cb -0.15 -3.60 -0.04 0.00 -1.53 0.00 0.00 36.38 31.05 2jg8 s VAL 179 CO 0.04 0.50 -0.03 -0.94 -3.33 0.00 0.00 175.10 171.34 2jg8 s SER 180 N -1.30 0.55 0.03 3.54 1.04 -1.26 -0.66 113.70 115.64 2jg8 s SER 180 Ca 0.24 -0.99 -0.28 0.00 0.48 0.00 0.00 55.95 55.40 2jg8 s SER 180 Cb -0.15 0.19 0.10 0.00 0.10 0.00 0.00 66.02 66.26 2jg8 s SER 180 CO 0.13 -0.58 1.04 -0.83 0.98 0.00 0.00 173.24 173.97 2jg8 s GLY 181 N -2.90 -0.34 -0.16 7.32 0.00 -0.99 -4.86 107.32 105.40 2jg8 s GLY 181 Ca 0.07 0.69 -0.34 0.00 0.00 0.00 0.00 44.72 45.14 2jg8 s GLY 181 CO -0.09 0.19 1.15 -0.32 0.00 0.00 0.00 173.10 174.03 2jg8 s GLY 182 N -2.72 -0.32 0.08 0.20 0.00 -1.26 -1.07 107.32 102.23 2jg8 s GLY 182 Ca 0.10 1.51 -0.26 0.00 0.00 0.00 0.00 44.72 46.07 2jg8 s GLY 182 CO -0.03 0.51 0.75 -3.16 0.00 0.00 0.00 173.10 171.17 2jg8 s MET 183 N -2.52 1.05 0.07 2.90 0.23 -0.05 -4.99 119.30 116.01 2jg8 s MET 183 Ca 0.08 -0.39 -0.27 0.00 -1.03 0.00 0.00 55.69 54.08 2jg8 s MET 183 Cb -0.01 0.48 -0.06 0.00 -1.53 0.00 0.00 34.83 33.71 2jg8 s MET 183 CO -0.05 -0.46 0.83 0.08 -2.03 0.00 0.00 175.02 173.38 2jg8 s VAL 184 N -3.43 4.63 -0.08 5.16 1.01 -1.26 -1.34 120.40 125.09 2jg8 s VAL 184 Ca 0.03 1.78 0.01 0.00 0.00 0.00 0.00 61.98 63.81 2jg8 s VAL 184 Cb -0.01 -4.19 0.02 0.00 0.00 0.00 0.00 36.38 32.20 2jg8 s VAL 184 CO -0.11 0.36 -0.11 -0.76 0.00 0.00 0.00 175.10 174.48 2jg8 s LEU 185 N -0.11 1.52 -0.24 3.92 1.43 0.10 -4.97 118.68 120.33 2jg8 s LEU 185 Ca 0.41 -0.31 -0.27 0.00 -1.03 0.00 0.00 54.13 52.93 2jg8 s LEU 185 Cb -0.22 -0.85 0.00 0.00 0.03 0.00 0.00 46.19 45.15 2jg8 s LEU 185 CO 0.25 -0.01 0.93 -1.58 0.23 0.00 0.00 176.35 176.17 2jg8 s GLN 186 N 1.00 4.21 0.10 1.70 0.74 -1.26 -1.29 119.66 124.85 2jg8 s GLN 186 Ca -0.08 1.12 0.09 0.00 0.05 0.00 0.00 55.36 56.55 2jg8 s GLN 186 Cb -0.15 -3.65 -0.04 0.00 1.10 0.00 0.00 33.01 30.28 2jg8 s GLN 186 CO -0.00 -0.59 -0.22 -0.51 -0.55 0.00 0.00 175.29 173.42 2jg8 s LEU 187 N 3.04 2.51 0.25 3.68 1.43 -0.10 -4.99 118.68 124.49 2jg8 s LEU 187 Ca 0.39 -0.59 0.06 0.00 -1.03 0.00 0.00 54.13 52.96 2jg8 s LEU 187 Cb -0.15 -1.42 -0.03 0.00 0.03 0.00 0.00 46.19 44.62 2jg8 s LEU 187 CO 0.07 0.20 0.27 -1.10 0.23 0.00 0.00 176.35 176.03 2jg8 s GLN 188 N -1.86 3.17 0.15 1.70 -0.21 -1.26 -1.88 119.66 119.47 2jg8 s GLN 188 Ca 0.15 -0.91 -0.34 0.00 0.02 0.00 0.00 55.36 54.28 2jg8 s GLN 188 Cb -0.10 -2.72 -0.15 0.00 1.00 0.00 0.00 33.01 31.04 2jg8 s GLN 188 CO 0.07 0.42 1.36 0.94 -2.12 0.00 0.00 175.29 175.96 2jg8 n GLN 189 N -1.28 1.53 0.00 2.91 7.27 -1.26 -0.99 117.38 125.56 2jg8 n GLN 189 Ca -0.08 0.55 0.00 0.00 0.07 0.00 0.00 57.00 57.54 2jg8 n GLN 189 Cb 0.57 -2.19 0.00 0.00 2.41 0.00 0.00 30.24 31.04 2jg8 n GLN 189 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2jg8 n GLY 190 N 2.53 2.88 3.68 1.69 0.00 0.62 -4.99 105.19 111.61 2jg8 n GLY 190 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 2jg8 n GLY 190 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2jg8 n ASP 191 N 0.00 2.48 -4.55 1.61 10.43 -0.17 -4.62 116.55 121.74 2jg8 n ASP 191 Ca 0.00 1.17 -0.30 0.00 2.57 0.00 0.00 54.79 58.23 2jg8 n ASP 191 Cb 0.00 -1.46 -0.10 0.00 1.84 0.00 0.00 41.12 41.39 2jg8 n ASP 191 CO 0.00 0.00 0.00 -1.10 -1.07 0.00 0.00 177.20 175.03 2jg8 s GLN 192 N -1.95 2.02 -0.02 -1.24 -0.21 -0.95 -0.47 119.66 116.83 2jg8 s GLN 192 Ca 0.58 -1.07 0.01 0.00 0.02 0.00 0.00 55.36 54.89 2jg8 s GLN 192 Cb -0.56 -2.24 0.01 0.00 1.00 0.00 0.00 33.01 31.22 2jg8 s GLN 192 CO 0.61 0.50 -0.02 0.08 -2.12 0.00 0.00 175.29 174.34 2jg8 s VAL 193 N -1.18 0.24 0.22 1.09 1.01 0.62 -0.76 120.40 121.64 2jg8 s VAL 193 Ca 0.20 -0.03 -0.18 0.00 0.00 0.00 0.00 61.98 61.98 2jg8 s VAL 193 Cb -0.11 -0.28 0.02 0.00 0.00 0.00 0.00 36.38 36.01 2jg8 s VAL 193 CO 0.12 0.12 0.56 -1.66 0.00 0.00 0.00 175.10 174.24 2jg8 s TRP 194 N 0.56 -0.06 -0.17 5.22 -2.14 -0.21 -0.02 118.94 122.12 2jg8 s TRP 194 Ca -0.06 -0.30 -0.11 0.00 2.66 0.00 0.00 56.10 58.29 2jg8 s TRP 194 Cb -0.09 0.43 -0.05 0.00 -3.10 0.00 0.00 33.47 30.66 2jg8 s TRP 194 CO -0.01 -0.99 0.19 0.08 -2.66 0.00 0.00 176.95 173.56 2jg8 s VAL 195 N -3.90 5.38 -0.03 -0.66 1.01 -1.26 -0.61 120.40 120.33 2jg8 s VAL 195 Ca 0.12 0.32 0.06 0.00 0.00 0.00 0.00 61.98 62.48 2jg8 s VAL 195 Cb -0.02 -3.52 -0.01 0.00 0.00 0.00 0.00 36.38 32.83 2jg8 s VAL 195 CO 0.01 0.45 -0.22 -1.61 0.00 0.00 0.00 175.10 173.73 2jg8 s GLU 196 N 0.21 1.90 0.28 2.72 2.02 -0.08 0.52 118.70 126.26 2jg8 s GLU 196 Ca 0.12 -0.79 -0.01 0.00 0.02 0.00 0.00 54.97 54.31 2jg8 s GLU 196 Cb -0.12 -1.77 -0.04 0.00 0.10 0.00 0.00 34.13 32.30 2jg8 s GLU 196 CO 0.01 0.44 0.48 -1.59 0.02 0.00 0.00 175.26 174.62 2jg8 s LYS 197 N -0.40 3.52 -0.01 1.61 -2.85 0.11 -0.45 119.74 121.27 2jg8 s LYS 197 Ca 0.05 -0.30 -0.30 0.00 -1.00 0.00 0.00 55.97 54.43 2jg8 s LYS 197 Cb -0.10 -2.74 -0.06 0.00 -2.06 0.00 0.00 37.83 32.88 2jg8 s LYS 197 CO 0.00 0.27 1.47 0.34 0.10 0.00 0.00 175.35 177.53 2jg8 s ASP 198 N -3.55 6.79 0.62 0.03 -1.08 0.06 -4.85 116.67 114.70 2jg8 s ASP 198 Ca 0.40 2.15 0.37 0.00 -0.52 0.00 0.00 52.55 54.95 2jg8 s ASP 198 Cb -0.10 -2.55 2.10 0.00 -1.46 0.00 0.00 42.92 40.90 2jg8 s ASP 198 CO 0.32 -0.78 2.30 1.55 0.52 0.00 0.00 175.17 179.07 2jg8 h PRO 199 N 8.22 0.00 0.00 4.34 0.13 -1.96 -1.39 132.00 141.35 2jg8 h PRO 199 Ca -0.38 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 2jg8 h PRO 199 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2jg8 h PRO 199 CO 0.92 0.01 -1.06 1.63 -0.23 0.00 0.00 178.00 179.27 2jg8 n LYS 200 N -3.42 0.19 -3.42 0.86 5.02 -1.26 -4.66 118.16 111.48 2jg8 n LYS 200 Ca -0.03 -0.02 -0.27 0.00 -2.02 0.00 0.00 58.31 55.97 2jg8 n LYS 200 Cb 0.09 -1.54 -0.11 0.00 -0.02 0.00 0.00 35.03 33.46 2jg8 n LYS 200 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2jg8 s LYS 201 N -3.14 0.69 -0.27 1.97 1.02 -0.53 -5.00 119.74 114.47 2jg8 s LYS 201 Ca 0.05 -1.59 0.22 0.00 0.02 0.00 0.00 55.97 54.67 2jg8 s LYS 201 Cb 0.15 -1.29 0.50 0.00 -0.52 0.00 0.00 37.83 36.68 2jg8 s LYS 201 CO 0.82 -1.28 1.14 0.41 -0.92 0.00 0.00 175.35 175.52 2jg8 n GLY 202 N 3.59 1.78 3.66 -3.33 0.00 -1.15 -1.05 105.19 108.69 2jg8 n GLY 202 Ca 0.19 -1.00 -0.42 0.00 0.00 0.00 0.00 46.02 44.79 2jg8 n GLY 202 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2jg8 s HIS 203 N -3.44 3.36 -0.12 1.61 5.04 -0.38 -5.01 115.29 116.35 2jg8 s HIS 203 Ca 0.26 1.21 0.01 0.00 -1.54 0.00 0.00 55.06 55.00 2jg8 s HIS 203 Cb 0.34 -3.05 0.02 0.00 0.04 0.00 0.00 32.58 29.93 2jg8 s HIS 203 CO -0.04 -0.33 -0.14 0.42 -2.34 0.00 0.00 174.74 172.30 2jg8 s ILE 204 N 2.55 1.49 0.32 0.89 1.01 -1.26 -4.50 121.20 121.70 2jg8 s ILE 204 Ca 0.37 -0.61 -0.29 0.00 0.00 0.00 0.00 60.65 60.12 2jg8 s ILE 204 Cb -0.16 -1.38 -0.13 0.00 0.01 0.00 0.00 42.46 40.80 2jg8 s ILE 204 CO 0.09 0.44 1.30 0.00 0.00 0.00 0.00 174.94 176.78 2jg8 n TYR 205 N 4.46 2.23 -3.98 3.97 9.36 0.09 -4.98 117.16 128.32 2jg8 n TYR 205 Ca -0.18 0.53 -0.30 0.00 3.32 0.00 0.00 57.90 61.28 2jg8 n TYR 205 Cb 0.51 -2.42 -0.16 0.00 -0.63 0.00 0.00 39.34 36.64 2jg8 n TYR 205 CO 0.00 0.00 0.00 -1.14 0.22 0.00 0.00 176.86 175.94 2jg8 s GLN 206 N -1.60 1.95 0.00 2.98 2.00 -1.26 -4.96 119.66 118.76 2jg8 s GLN 206 Ca 0.58 -0.75 0.00 0.00 -2.00 0.00 0.00 55.36 53.19 2jg8 s GLN 206 Cb -0.59 -2.30 0.00 0.00 0.80 0.00 0.00 33.01 30.93 2jg8 s GLN 206 CO 0.60 -0.41 0.00 0.41 -0.50 0.00 0.00 175.29 175.39 2jg8 n GLY 207 N 4.73 -1.09 0.50 2.59 0.00 -1.26 -5.02 105.19 105.64 2jg8 n GLY 207 Ca -0.14 -1.06 0.06 0.00 0.00 0.00 0.00 46.02 44.87 2jg8 n GLY 207 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2jg8 n SER 208 N 1.47 2.10 0.10 1.61 3.41 -1.26 -4.53 113.62 116.52 2jg8 n SER 208 Ca 0.00 -1.55 -0.04 0.00 -0.26 0.00 0.00 58.87 57.01 2jg8 n SER 208 Cb 0.00 -0.03 0.10 0.00 -0.26 0.00 0.00 64.21 64.02 2jg8 n SER 208 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 2jg8 h GLU 209 N 2.29 0.13 -2.95 4.33 5.08 -2.02 -3.47 114.58 117.97 2jg8 h GLU 209 Ca 0.00 -0.10 0.05 0.00 -1.00 0.00 0.00 59.36 58.30 2jg8 h GLU 209 Cb 0.52 0.02 -0.08 0.00 0.50 0.00 0.00 28.75 29.71 2jg8 h GLU 209 CO 0.00 0.76 0.24 0.00 -1.00 0.00 0.00 179.01 179.01 2jg8 s ALA 210 N -3.55 -1.39 0.17 3.43 0.00 -1.26 -5.18 121.76 113.99 2jg8 s ALA 210 Ca -0.02 0.02 0.11 0.00 0.00 0.00 0.00 51.96 52.07 2jg8 s ALA 210 Cb 0.12 0.84 -0.04 0.00 0.00 0.00 0.00 23.12 24.04 2jg8 s ALA 210 CO 0.79 -0.94 -0.23 -0.51 0.00 0.00 0.00 175.76 174.87 2jg8 s ASP 211 N -2.85 3.51 -0.02 0.00 1.01 -1.26 -4.79 116.67 112.27 2jg8 s ASP 211 Ca 0.07 -0.80 0.06 0.00 0.71 0.00 0.00 52.55 52.60 2jg8 s ASP 211 Cb -0.04 -0.31 -0.02 0.00 1.01 0.00 0.00 42.92 43.56 2jg8 s ASP 211 CO -0.01 0.14 -0.21 -0.44 0.21 0.00 0.00 175.17 174.86 2jg8 s SER 212 N -2.52 3.47 0.02 0.27 0.01 -1.26 -4.51 113.70 109.18 2jg8 s SER 212 Ca 0.19 -0.37 0.04 0.00 1.31 0.00 0.00 55.95 57.12 2jg8 s SER 212 Cb -0.09 -0.54 -0.02 0.00 0.21 0.00 0.00 66.02 65.59 2jg8 s SER 212 CO 0.09 0.32 -0.12 0.54 0.41 0.00 0.00 173.24 174.49 2jg8 s VAL 213 N -0.69 0.91 -0.08 3.43 0.11 -0.32 -2.68 120.40 121.07 2jg8 s VAL 213 Ca 0.11 -0.80 0.02 0.00 -2.93 0.00 0.00 61.98 58.37 2jg8 s VAL 213 Cb -0.10 -0.82 0.02 0.00 -1.53 0.00 0.00 36.38 33.94 2jg8 s VAL 213 CO 0.00 0.02 -0.12 0.12 -3.33 0.00 0.00 175.10 171.79 2jg8 s PHE 214 N -0.70 1.61 0.11 1.54 5.36 0.44 -1.65 117.98 124.69 2jg8 s PHE 214 Ca 0.01 -0.68 0.03 0.00 -0.96 0.00 0.00 56.93 55.33 2jg8 s PHE 214 Cb -0.07 -1.20 -0.04 0.00 -0.34 0.00 0.00 43.02 41.38 2jg8 s PHE 214 CO 0.01 -0.37 -0.09 -1.12 -1.46 0.00 0.00 175.22 172.18 2jg8 s SER 215 N 0.91 1.44 -0.03 6.13 0.01 -0.57 -0.14 113.70 121.44 2jg8 s SER 215 Ca -0.09 -0.90 -0.29 0.00 1.31 0.00 0.00 55.95 55.97 2jg8 s SER 215 Cb -0.15 0.03 0.08 0.00 0.21 0.00 0.00 66.02 66.19 2jg8 s SER 215 CO 0.01 -0.33 0.74 -0.83 0.41 0.00 0.00 173.24 173.24 2jg8 s GLY 216 N -2.73 -0.52 -0.08 3.44 0.00 -0.62 -1.46 107.32 105.34 2jg8 s GLY 216 Ca 0.09 1.30 -0.30 0.00 0.00 0.00 0.00 44.72 45.81 2jg8 s GLY 216 CO -0.01 0.80 0.71 -0.11 0.00 0.00 0.00 173.10 174.49 2jg8 s PHE 217 N -1.74 -0.65 0.19 1.90 -0.12 -0.30 -1.21 117.98 116.05 2jg8 s PHE 217 Ca -0.06 1.16 -0.30 0.00 -0.05 0.00 0.00 56.93 57.68 2jg8 s PHE 217 Cb -0.00 0.40 -0.08 0.00 -0.63 0.00 0.00 43.02 42.70 2jg8 s PHE 217 CO 0.03 -0.56 1.28 -1.17 -0.05 0.00 0.00 175.22 174.75 2jg8 s LEU 218 N -1.03 4.42 -0.20 -1.99 2.96 -0.79 -0.60 118.68 121.45 2jg8 s LEU 218 Ca -0.09 2.34 -0.16 0.00 -0.22 0.00 0.00 54.13 56.00 2jg8 s LEU 218 Cb -0.01 -3.61 -0.12 0.00 0.50 0.00 0.00 46.19 42.96 2jg8 s LEU 218 CO 0.08 -0.49 -0.04 -0.38 -1.32 0.00 0.00 176.35 174.20 2jg8 n ILE 219 N 2.71 1.50 -3.63 6.68 5.41 0.12 -4.86 119.36 127.28 2jg8 n ILE 219 Ca 0.06 0.00 -0.15 0.00 1.00 0.00 0.00 62.75 63.67 2jg8 n ILE 219 Cb 0.43 -2.15 -0.07 0.00 -0.71 0.00 0.00 39.64 37.14 2jg8 n ILE 219 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 176.55 177.27 2jg8 s PHE 220 N -2.40 -0.71 0.61 1.39 -0.12 -1.07 -5.03 117.98 110.65 2jg8 s PHE 220 Ca -0.26 1.64 -0.16 0.00 -0.05 0.00 0.00 56.93 58.10 2jg8 s PHE 220 Cb 0.06 0.27 -0.03 0.00 -0.63 0.00 0.00 43.02 42.70 2jg8 s PHE 220 CO 0.45 -0.40 1.08 -1.25 -0.05 0.00 0.00 175.22 175.05 2jg8 s PRO 221 N 0.04 3.18 0.00 1.99 0.04 -1.26 -0.93 135.00 138.06 2jg8 s PRO 221 Ca -0.02 1.29 0.18 0.00 0.04 0.00 0.00 61.00 62.48 2jg8 s PRO 221 Cb -0.04 -2.01 0.14 0.00 0.04 0.00 0.00 34.50 32.63 2jg8 s PRO 221 CO 0.03 -0.93 1.07 -1.13 0.04 0.00 0.00 177.00 176.07