#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jg8 n PHE 90 N 0.00 1.71 -4.68 2.13 3.72 -1.26 -4.94 117.46 114.14 2jg8 n PHE 90 Ca 0.00 -0.80 -0.31 0.00 -0.05 0.00 0.00 57.45 56.29 2jg8 n PHE 90 Cb 0.00 -0.45 -0.08 0.00 -0.94 0.00 0.00 39.48 38.01 2jg8 n PHE 90 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 2jg8 s GLN 91 N -2.81 2.11 -0.30 -1.08 -1.52 -1.26 -5.00 119.66 109.80 2jg8 s GLN 91 Ca 0.51 -2.33 -0.09 0.00 -1.95 0.00 0.00 55.36 51.50 2jg8 s GLN 91 Cb 0.39 -1.21 0.14 0.00 -0.22 0.00 0.00 33.01 32.11 2jg8 s GLN 91 CO 0.13 -0.40 0.64 0.45 -0.25 0.00 0.00 175.29 175.86 2jg8 s SER 92 N -3.79 -1.17 -0.15 5.90 0.15 -1.26 -4.92 113.70 108.46 2jg8 s SER 92 Ca 0.12 1.51 -0.18 0.00 0.70 0.00 0.00 55.95 58.10 2jg8 s SER 92 Cb 0.02 2.29 0.05 0.00 -1.71 0.00 0.00 66.02 66.67 2jg8 s SER 92 CO 0.07 -0.22 0.48 0.54 1.20 0.00 0.00 173.24 175.30 2jg8 s VAL 93 N 2.89 0.01 0.02 4.45 0.11 -1.26 -0.44 120.40 126.18 2jg8 s VAL 93 Ca -0.03 -0.06 -0.17 0.00 -2.93 0.00 0.00 61.98 58.79 2jg8 s VAL 93 Cb -0.12 -0.69 0.03 0.00 -1.53 0.00 0.00 36.38 34.07 2jg8 s VAL 93 CO -0.19 -0.03 0.37 0.72 -3.33 0.00 0.00 175.10 172.64 2jg8 s PHE 94 N -0.04 -0.23 -0.06 1.54 -0.12 -0.36 -3.98 117.98 114.73 2jg8 s PHE 94 Ca -0.02 0.26 -0.01 0.00 -0.05 0.00 0.00 56.93 57.10 2jg8 s PHE 94 Cb -0.03 0.16 0.03 0.00 -0.63 0.00 0.00 43.02 42.55 2jg8 s PHE 94 CO 0.02 -0.50 0.01 0.99 -0.05 0.00 0.00 175.22 175.69 2jg8 s THR 95 N -1.99 0.29 0.25 -4.49 2.01 0.24 -1.97 115.64 109.99 2jg8 s THR 95 Ca -0.09 0.15 0.09 0.00 0.31 0.00 0.00 61.69 62.16 2jg8 s THR 95 Cb -0.02 -0.45 -0.05 0.00 0.01 0.00 0.00 72.50 71.98 2jg8 s THR 95 CO 0.01 0.24 -0.14 0.68 -0.69 0.00 0.00 174.62 174.71 2jg8 s VAL 96 N 1.86 2.01 0.05 3.82 -7.23 0.01 -0.93 120.40 119.99 2jg8 s VAL 96 Ca 0.03 -2.26 -0.00 0.00 -1.81 0.00 0.00 61.98 57.94 2jg8 s VAL 96 Cb -0.12 -2.25 -0.03 0.00 0.56 0.00 0.00 36.38 34.53 2jg8 s VAL 96 CO -0.04 -0.44 -0.04 0.28 -0.31 0.00 0.00 175.10 174.54 2jg8 s THR 97 N -2.80 0.31 -0.47 5.32 -1.32 0.77 -0.70 115.64 116.76 2jg8 s THR 97 Ca 0.27 -1.56 -0.18 0.00 -1.21 0.00 0.00 61.69 59.01 2jg8 s THR 97 Cb -0.01 -1.18 0.05 0.00 -1.51 0.00 0.00 72.50 69.85 2jg8 s THR 97 CO 0.11 -0.81 0.50 -0.60 -2.21 0.00 0.00 174.62 171.61 2jg8 s ARG 98 N -3.14 3.08 -0.86 7.08 3.52 -0.75 -1.83 118.95 126.06 2jg8 s ARG 98 Ca 0.01 -0.94 -0.10 0.00 -0.13 0.00 0.00 55.73 54.57 2jg8 s ARG 98 Cb 0.02 -4.05 0.22 0.00 -1.56 0.00 0.00 34.95 29.58 2jg8 s ARG 98 CO -0.06 -1.03 0.79 -1.14 -0.81 0.00 0.00 175.30 173.04 2jg8 s GLN 99 N 2.22 3.54 -0.15 5.12 0.74 -1.26 -4.65 119.66 125.21 2jg8 s GLN 99 Ca 0.12 -2.69 -0.31 0.00 0.05 0.00 0.00 55.36 52.53 2jg8 s GLN 99 Cb -0.19 -4.31 0.13 0.00 1.10 0.00 0.00 33.01 29.74 2jg8 s GLN 99 CO 0.11 -1.26 1.09 -0.08 -0.55 0.00 0.00 175.29 174.60 2jg8 s THR 100 N -0.27 0.00 -0.09 -0.34 -1.32 -1.26 -4.97 115.64 107.39 2jg8 s THR 100 Ca 0.21 0.00 0.21 0.00 -1.21 0.00 0.00 61.69 60.90 2jg8 s THR 100 Cb -0.11 -1.00 -0.31 0.00 -1.51 0.00 0.00 72.50 69.57 2jg8 s THR 100 CO -0.08 0.00 0.34 1.57 -2.21 0.00 0.00 174.62 174.24 2jg8 n HIS 101 N 0.23 0.00 -2.37 9.09 -0.00 -1.26 -4.90 115.22 116.01 2jg8 n HIS 101 Ca -0.05 0.00 -0.39 0.00 0.46 0.00 0.00 57.72 57.74 2jg8 n HIS 101 Cb 0.59 -0.66 -0.03 0.00 -0.12 0.00 0.00 29.99 29.77 2jg8 n HIS 101 CO 0.00 0.00 0.00 -0.65 0.46 0.00 0.00 176.34 176.15 2jg8 s GLN 102 N -3.18 4.36 0.65 1.57 -0.21 -1.26 -4.77 119.66 116.82 2jg8 s GLN 102 Ca -0.09 1.84 -0.06 0.00 0.02 0.00 0.00 55.36 57.07 2jg8 s GLN 102 Cb 0.11 -2.93 0.04 0.00 1.00 0.00 0.00 33.01 31.23 2jg8 s GLN 102 CO 0.88 -0.06 0.96 -1.25 -2.12 0.00 0.00 175.29 173.71 2jg8 s PRO 103 N -1.90 2.53 0.92 2.91 0.04 -1.26 -5.00 135.00 133.24 2jg8 s PRO 103 Ca 0.51 -0.14 -0.11 0.00 0.04 0.00 0.00 61.00 61.30 2jg8 s PRO 103 Cb -0.31 -2.22 0.15 0.00 0.04 0.00 0.00 34.50 32.15 2jg8 s PRO 103 CO 0.40 -0.99 1.11 -2.14 0.04 0.00 0.00 177.00 175.42 2jg8 s PRO 104 N -5.13 1.02 0.45 0.56 0.02 -1.25 -4.98 135.00 125.68 2jg8 s PRO 104 Ca 0.57 1.24 -0.24 0.00 0.02 0.00 0.00 61.00 62.59 2jg8 s PRO 104 Cb -0.11 -1.75 -0.08 0.00 0.02 0.00 0.00 34.50 32.59 2jg8 s PRO 104 CO 0.45 -2.53 1.20 0.00 -0.33 0.00 0.00 177.00 175.79 2jg8 s ALA 105 N -2.72 3.04 0.45 -1.55 0.00 -1.26 -4.89 121.76 114.83 2jg8 s ALA 105 Ca 0.65 1.02 -0.24 0.00 0.00 0.00 0.00 51.96 53.39 2jg8 s ALA 105 Cb -0.21 -3.41 -0.09 0.00 0.00 0.00 0.00 23.12 19.41 2jg8 s ALA 105 CO 0.58 -0.72 1.25 -2.30 0.00 0.00 0.00 175.76 174.57 2jg8 n PRO 106 N -0.33 1.79 -3.83 0.00 -0.02 -1.26 -2.88 135.00 128.46 2jg8 n PRO 106 Ca 0.06 0.64 -0.25 0.00 -2.02 0.00 0.00 63.50 61.93 2jg8 n PRO 106 Cb 0.47 -2.38 0.02 0.00 -0.02 0.00 0.00 33.50 31.59 2jg8 n PRO 106 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2jg8 n ASN 107 N -0.02 -2.17 -4.21 2.55 3.02 0.69 -4.97 115.26 110.15 2jg8 n ASN 107 Ca 0.08 -0.85 -0.12 0.00 -0.03 0.00 0.00 54.58 53.65 2jg8 n ASN 107 Cb 0.41 -3.76 -0.10 0.00 -0.61 0.00 0.00 39.78 35.71 2jg8 n ASN 107 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 2jg8 s SER 108 N -4.01 1.37 0.28 6.41 1.04 -1.14 -4.94 113.70 112.70 2jg8 s SER 108 Ca 0.23 -1.04 -0.30 0.00 0.48 0.00 0.00 55.95 55.32 2jg8 s SER 108 Cb -0.12 0.07 -0.10 0.00 0.10 0.00 0.00 66.02 65.96 2jg8 s SER 108 CO 0.84 -0.44 1.46 -0.22 0.98 0.00 0.00 173.24 175.85 2jg8 s LEU 109 N -3.11 4.38 -0.31 2.42 0.20 -1.26 -1.09 118.68 119.90 2jg8 s LEU 109 Ca 0.16 2.76 -0.22 0.00 0.69 0.00 0.00 54.13 57.52 2jg8 s LEU 109 Cb 0.05 -3.63 -0.00 0.00 -0.43 0.00 0.00 46.19 42.17 2jg8 s LEU 109 CO -0.01 -0.74 0.70 -0.63 -0.29 0.00 0.00 176.35 175.38 2jg8 s ILE 110 N -0.25 4.86 -0.18 6.68 1.01 0.11 -4.88 121.20 128.55 2jg8 s ILE 110 Ca 0.58 0.97 -0.19 0.00 0.00 0.00 0.00 60.65 62.01 2jg8 s ILE 110 Cb -0.43 -4.08 -0.03 0.00 0.01 0.00 0.00 42.46 37.92 2jg8 s ILE 110 CO 0.47 -0.22 0.52 -0.13 0.00 0.00 0.00 174.94 175.58 2jg8 s ARG 111 N 2.79 4.23 -0.45 2.79 0.52 -1.26 -4.64 118.95 122.94 2jg8 s ARG 111 Ca 0.28 0.45 -0.14 0.00 -0.52 0.00 0.00 55.73 55.80 2jg8 s ARG 111 Cb -0.14 -3.53 0.07 0.00 0.52 0.00 0.00 34.95 31.86 2jg8 s ARG 111 CO 0.13 -0.08 0.34 -0.06 0.02 0.00 0.00 175.30 175.65 2jg8 s PHE 112 N 1.41 3.27 -0.46 -0.53 0.40 -1.26 -4.77 117.98 116.03 2jg8 s PHE 112 Ca 0.25 -1.06 0.24 0.00 -0.60 0.00 0.00 56.93 55.75 2jg8 s PHE 112 Cb -0.15 -3.03 0.32 0.00 0.51 0.00 0.00 43.02 40.67 2jg8 s PHE 112 CO 0.10 -0.79 1.43 -2.95 0.70 0.00 0.00 175.22 173.71 2jg8 h ASN 113 N 8.64 0.00 -3.86 1.36 -1.07 -1.78 -3.43 115.58 115.43 2jg8 h ASN 113 Ca -0.27 -0.04 -0.69 0.00 0.07 0.00 0.00 56.30 55.38 2jg8 h ASN 113 Cb 1.10 0.00 -0.21 0.00 -2.07 0.00 0.00 38.32 37.14 2jg8 h ASN 113 CO 0.82 0.02 -0.74 0.00 0.07 0.00 0.00 177.43 177.61 2jg8 s ALA 114 N -3.23 2.81 -0.16 4.14 0.00 -0.76 -4.96 121.76 119.60 2jg8 s ALA 114 Ca 0.05 -0.95 -0.02 0.00 0.00 0.00 0.00 51.96 51.04 2jg8 s ALA 114 Cb 0.09 -1.08 -0.02 0.00 0.00 0.00 0.00 23.12 22.12 2jg8 s ALA 114 CO 0.70 0.57 -0.08 0.08 0.00 0.00 0.00 175.76 177.03 2jg8 s VAL 115 N -0.78 3.38 -0.16 0.00 1.01 -1.26 -0.16 120.40 122.43 2jg8 s VAL 115 Ca 0.12 -0.53 -0.16 0.00 0.00 0.00 0.00 61.98 61.42 2jg8 s VAL 115 Cb -0.11 -2.47 -0.23 0.00 0.00 0.00 0.00 36.38 33.57 2jg8 s VAL 115 CO 0.01 0.49 0.32 -0.07 0.00 0.00 0.00 175.10 175.85 2jg8 h LEU 116 N 7.07 0.20 -7.43 3.92 3.38 -1.39 -3.49 115.31 117.57 2jg8 h LEU 116 Ca -0.31 -0.72 -0.12 0.00 0.09 0.00 0.00 57.88 56.82 2jg8 h LEU 116 Cb 1.19 -0.06 -0.22 0.00 0.09 0.00 0.00 40.66 41.66 2jg8 h LEU 116 CO 0.59 1.64 -0.27 0.28 0.09 0.00 0.00 178.44 180.77 2jg8 s THR 117 N -2.45 0.03 -0.36 0.22 -1.32 -0.99 -4.96 115.64 105.82 2jg8 s THR 117 Ca -0.25 -0.25 0.05 0.00 -1.21 0.00 0.00 61.69 60.02 2jg8 s THR 117 Cb 0.06 -0.58 0.30 0.00 -1.51 0.00 0.00 72.50 70.77 2jg8 s THR 117 CO 0.68 -0.14 1.30 -3.20 -2.21 0.00 0.00 174.62 171.05 2jg8 n ASN 118 N 1.97 -1.47 0.24 8.08 5.15 -1.26 -0.60 115.26 127.37 2jg8 n ASN 118 Ca -0.18 -2.24 0.12 0.00 -0.60 0.00 0.00 54.58 51.68 2jg8 n ASN 118 Cb 0.57 1.29 0.52 0.00 -0.53 0.00 0.00 39.78 41.62 2jg8 n ASN 118 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 2jg8 h PRO 119 N 2.20 0.00 -0.00 1.20 0.13 -1.99 -1.97 132.00 131.57 2jg8 h PRO 119 Ca -0.30 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 2jg8 h PRO 119 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2jg8 h PRO 119 CO -0.01 0.17 -0.59 1.04 -0.23 0.00 0.00 178.00 178.38 2jg8 n GLN 120 N -3.33 0.08 -1.31 0.86 3.00 -1.26 -4.95 117.38 110.47 2jg8 n GLN 120 Ca 0.00 -0.05 -0.09 0.00 -0.01 0.00 0.00 57.00 56.84 2jg8 n GLN 120 Cb 0.40 -1.50 -0.04 0.00 0.00 0.00 0.00 30.24 29.10 2jg8 n GLN 120 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2jg8 n GLY 121 N 1.49 1.06 0.23 1.08 0.00 -0.74 -4.93 105.19 103.38 2jg8 n GLY 121 Ca 0.06 -0.60 -0.01 0.00 0.00 0.00 0.00 46.02 45.47 2jg8 n GLY 121 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2jg8 h ASP 122 N 0.00 0.34 -3.46 1.61 3.32 -1.86 -3.38 116.42 112.98 2jg8 h ASP 122 Ca -0.19 -0.10 -0.60 0.00 0.02 0.00 0.00 57.03 56.16 2jg8 h ASP 122 Cb 0.64 -0.09 -0.10 0.00 0.22 0.00 0.00 39.33 39.99 2jg8 h ASP 122 CO 0.28 0.57 0.02 -0.47 -1.72 0.00 0.00 179.24 177.93 2jg8 s TYR 123 N -4.54 3.36 -0.44 4.55 5.04 -1.26 -0.89 117.35 123.16 2jg8 s TYR 123 Ca -0.06 0.81 -0.16 0.00 -2.44 0.00 0.00 57.07 55.22 2jg8 s TYR 123 Cb 0.14 -2.72 0.04 0.00 0.35 0.00 0.00 41.96 39.77 2jg8 s TYR 123 CO 0.76 -0.15 0.38 0.34 -1.34 0.00 0.00 175.55 175.54 2jg8 s ASP 124 N 1.22 6.14 0.51 4.32 -1.08 -0.28 -4.94 116.67 122.57 2jg8 s ASP 124 Ca 0.25 -1.02 0.34 0.00 -0.52 0.00 0.00 52.55 51.60 2jg8 s ASP 124 Cb -0.16 -2.19 1.55 0.00 -1.46 0.00 0.00 42.92 40.67 2jg8 s ASP 124 CO 0.10 -0.57 2.01 0.71 0.52 0.00 0.00 175.17 177.94 2jg8 h THR 125 N 5.71 0.00 0.00 1.71 1.35 -1.87 0.19 112.91 120.00 2jg8 h THR 125 Ca -0.27 -0.30 -0.14 0.00 -0.55 0.00 0.00 66.41 65.14 2jg8 h THR 125 Cb 1.11 1.22 -0.02 0.00 -1.73 0.00 0.00 68.15 68.73 2jg8 h THR 125 CO 0.81 0.00 -0.67 0.77 -0.25 0.00 0.00 175.52 176.18 2jg8 h SER 126 N 0.00 0.00 0.00 5.36 4.64 -1.92 -3.36 113.55 118.28 2jg8 h SER 126 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 2jg8 h SER 126 Cb 0.32 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.41 2jg8 h SER 126 CO 0.00 0.67 -1.42 0.35 -0.87 0.00 0.00 176.83 175.56 2jg8 n THR 127 N -3.40 0.03 -0.87 2.95 -2.24 -1.05 -5.01 114.28 104.69 2jg8 n THR 127 Ca 0.00 -0.21 0.00 0.00 -2.27 0.00 0.00 64.05 61.57 2jg8 n THR 127 Cb 0.75 0.24 0.00 0.00 -2.10 0.00 0.00 70.33 69.22 2jg8 n THR 127 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2jg8 n GLY 128 N 2.02 0.50 3.30 3.38 0.00 0.65 -4.94 105.19 110.10 2jg8 n GLY 128 Ca -0.02 -0.62 -0.31 0.00 0.00 0.00 0.00 46.02 45.07 2jg8 n GLY 128 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jg8 s LYS 129 N -1.17 2.26 0.12 1.61 1.02 -1.18 -4.66 119.74 117.74 2jg8 s LYS 129 Ca 0.00 -0.92 -0.30 0.00 0.02 0.00 0.00 55.97 54.77 2jg8 s LYS 129 Cb 0.00 -2.09 -0.06 0.00 -0.52 0.00 0.00 37.83 35.16 2jg8 s LYS 129 CO 0.00 0.50 0.97 0.12 -0.92 0.00 0.00 175.35 176.02 2jg8 s PHE 130 N -0.47 3.80 -0.10 3.18 5.36 -0.12 -1.13 117.98 128.51 2jg8 s PHE 130 Ca 0.06 1.79 0.02 0.00 -0.96 0.00 0.00 56.93 57.84 2jg8 s PHE 130 Cb -0.11 -3.07 0.01 0.00 -0.34 0.00 0.00 43.02 39.51 2jg8 s PHE 130 CO 0.01 0.16 -0.17 0.99 -1.46 0.00 0.00 175.22 174.74 2jg8 s THR 131 N -0.02 1.62 -0.05 0.12 2.01 -0.07 -0.92 115.64 118.33 2jg8 s THR 131 Ca 0.47 -0.73 -0.30 0.00 0.31 0.00 0.00 61.69 61.44 2jg8 s THR 131 Cb -0.24 -1.45 -0.05 0.00 0.01 0.00 0.00 72.50 70.77 2jg8 s THR 131 CO 0.30 0.46 1.53 0.00 -0.69 0.00 0.00 174.62 176.23 2jg8 n LYS 133 N 6.50 0.65 -3.83 0.00 5.02 -1.26 -0.62 118.16 124.61 2jg8 n LYS 133 Ca 0.16 0.18 -0.36 0.00 -2.02 0.00 0.00 58.31 56.27 2jg8 n LYS 133 Cb 0.43 -1.53 -0.13 0.00 -0.02 0.00 0.00 35.03 33.78 2jg8 n LYS 133 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2jg8 s VAL 134 N -2.52 3.66 0.58 -0.18 1.01 -1.26 -4.83 120.40 116.86 2jg8 s VAL 134 Ca -0.35 -0.65 -0.18 0.00 0.00 0.00 0.00 61.98 60.81 2jg8 s VAL 134 Cb 0.10 -2.81 -0.04 0.00 0.00 0.00 0.00 36.38 33.62 2jg8 s VAL 134 CO 0.60 0.21 1.11 -2.16 0.00 0.00 0.00 175.10 174.85 2jg8 s PRO 135 N 1.47 3.21 0.00 2.72 0.04 -1.26 -4.91 135.00 136.28 2jg8 s PRO 135 Ca 0.03 1.47 0.00 0.00 0.04 0.00 0.00 61.00 62.54 2jg8 s PRO 135 Cb -0.16 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 32.38 2jg8 s PRO 135 CO -0.00 -0.94 0.00 0.41 0.04 0.00 0.00 177.00 176.51 2jg8 n GLY 136 N -0.22 0.16 3.69 0.56 0.00 -0.56 -1.59 105.19 107.24 2jg8 n GLY 136 Ca 0.11 -1.57 -0.39 0.00 0.00 0.00 0.00 46.02 44.16 2jg8 n GLY 136 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2jg8 s LEU 137 N 0.00 4.22 0.11 0.99 2.96 -0.04 -0.36 118.68 126.56 2jg8 s LEU 137 Ca 0.00 0.82 0.10 0.00 -0.22 0.00 0.00 54.13 54.83 2jg8 s LEU 137 Cb 0.00 -2.77 -0.04 0.00 0.50 0.00 0.00 46.19 43.88 2jg8 s LEU 137 CO 0.00 -0.11 -0.26 -0.31 -1.32 0.00 0.00 176.35 174.35 2jg8 s TYR 138 N 1.16 2.23 -0.15 5.38 1.51 0.30 -0.29 117.35 127.48 2jg8 s TYR 138 Ca 0.27 -0.39 -0.03 0.00 -1.01 0.00 0.00 57.07 55.91 2jg8 s TYR 138 Cb -0.16 -1.23 -0.03 0.00 -0.11 0.00 0.00 41.96 40.44 2jg8 s TYR 138 CO 0.11 0.28 -0.05 -0.47 -1.11 0.00 0.00 175.55 174.30 2jg8 s TYR 139 N -1.02 2.99 -0.04 2.71 5.04 -0.57 -1.10 117.35 125.36 2jg8 s TYR 139 Ca 0.12 -0.35 0.06 0.00 -2.44 0.00 0.00 57.07 54.46 2jg8 s TYR 139 Cb -0.10 -1.94 -0.02 0.00 0.35 0.00 0.00 41.96 40.25 2jg8 s TYR 139 CO 0.05 -0.06 -0.23 -0.06 -1.34 0.00 0.00 175.55 173.91 2jg8 s PHE 140 N 0.35 2.46 -0.10 4.97 0.40 -0.74 -1.36 117.98 123.97 2jg8 s PHE 140 Ca -0.05 -0.47 -0.19 0.00 -0.60 0.00 0.00 56.93 55.62 2jg8 s PHE 140 Cb -0.14 -1.57 0.04 0.00 0.51 0.00 0.00 43.02 41.86 2jg8 s PHE 140 CO 0.03 -0.05 0.47 0.54 0.70 0.00 0.00 175.22 176.91 2jg8 s VAL 141 N -0.47 0.02 0.05 -0.44 0.11 -0.48 -1.53 120.40 117.67 2jg8 s VAL 141 Ca 0.06 -0.16 -0.00 0.00 -2.93 0.00 0.00 61.98 58.94 2jg8 s VAL 141 Cb -0.11 -0.72 -0.04 0.00 -1.53 0.00 0.00 36.38 33.98 2jg8 s VAL 141 CO 0.01 -0.09 -0.04 -0.72 -3.33 0.00 0.00 175.10 170.93 2jg8 s TYR 142 N -0.59 0.55 -0.19 1.54 -0.85 -0.29 -0.87 117.35 116.64 2jg8 s TYR 142 Ca -0.07 -0.95 -0.04 0.00 -0.52 0.00 0.00 57.07 55.49 2jg8 s TYR 142 Cb -0.03 -0.38 0.06 0.00 0.38 0.00 0.00 41.96 41.99 2jg8 s TYR 142 CO 0.04 -0.31 0.08 -1.01 -1.52 0.00 0.00 175.55 172.83 2jg8 s HIS 143 N -3.43 0.48 -0.17 -3.49 3.76 -0.38 -2.43 115.29 109.63 2jg8 s HIS 143 Ca 0.04 -0.55 0.01 0.00 -0.15 0.00 0.00 55.06 54.41 2jg8 s HIS 143 Cb 0.04 -0.83 0.02 0.00 1.11 0.00 0.00 32.58 32.92 2jg8 s HIS 143 CO -0.08 -0.58 -0.20 0.00 -0.85 0.00 0.00 174.74 173.04 2jg8 s ALA 144 N 2.04 2.29 0.23 -1.40 0.00 0.20 -0.62 121.76 124.50 2jg8 s ALA 144 Ca 0.02 -1.17 -0.26 0.00 0.00 0.00 0.00 51.96 50.55 2jg8 s ALA 144 Cb -0.16 -1.13 -0.09 0.00 0.00 0.00 0.00 23.12 21.74 2jg8 s ALA 144 CO -0.12 -0.27 0.85 -1.12 0.00 0.00 0.00 175.76 175.11 2jg8 s SER 145 N 1.17 7.40 -0.02 0.00 0.01 -1.17 0.21 113.70 121.29 2jg8 s SER 145 Ca 0.02 1.74 -0.18 0.00 1.31 0.00 0.00 55.95 58.83 2jg8 s SER 145 Cb -0.14 -2.54 0.03 0.00 0.21 0.00 0.00 66.02 63.59 2jg8 s SER 145 CO -0.10 0.10 0.39 -1.38 0.41 0.00 0.00 173.24 172.66 2jg8 s HIS 146 N -1.33 -0.29 0.00 2.43 -3.43 -0.90 -3.79 115.29 107.98 2jg8 s HIS 146 Ca 0.42 0.47 0.00 0.00 -0.80 0.00 0.00 55.06 55.15 2jg8 s HIS 146 Cb -0.22 0.17 0.00 0.00 -1.43 0.00 0.00 32.58 31.10 2jg8 s HIS 146 CO 0.26 -0.44 0.93 0.25 -2.00 0.00 0.00 174.74 173.75 2jg8 n THR 147 N 1.21 0.86 -4.15 -5.38 -2.24 -1.16 -2.38 114.28 101.04 2jg8 n THR 147 Ca -0.21 -0.92 -0.16 0.00 -2.27 0.00 0.00 64.05 60.49 2jg8 n THR 147 Cb 0.56 0.57 -0.05 0.00 -2.10 0.00 0.00 70.33 69.31 2jg8 n THR 147 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2jg8 n ALA 148 N -0.43 0.18 -1.73 6.98 0.00 -1.26 -2.04 120.51 122.21 2jg8 n ALA 148 Ca 0.00 -1.68 -0.42 0.00 0.00 0.00 0.00 53.44 51.34 2jg8 n ALA 148 Cb 0.22 1.36 -0.02 0.00 0.00 0.00 0.00 19.45 21.02 2jg8 n ALA 148 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2jg8 n ASN 149 N -1.71 3.52 -3.72 0.00 3.02 -1.24 -4.49 115.26 110.64 2jg8 n ASN 149 Ca 0.04 1.16 -0.16 0.00 -0.03 0.00 0.00 54.58 55.59 2jg8 n ASN 149 Cb 0.56 -1.55 -0.16 0.00 -0.61 0.00 0.00 39.78 38.02 2jg8 n ASN 149 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 2jg8 s LEU 150 N -0.52 0.48 -0.09 3.41 2.96 -0.67 -2.06 118.68 122.19 2jg8 s LEU 150 Ca 0.63 0.22 0.02 0.00 -0.22 0.00 0.00 54.13 54.79 2jg8 s LEU 150 Cb -0.53 0.17 -0.02 0.00 0.50 0.00 0.00 46.19 46.30 2jg8 s LEU 150 CO 0.51 -0.19 -0.15 0.00 -1.32 0.00 0.00 176.35 175.21 2jg8 s VAL 152 N -0.21 2.46 -0.13 0.00 1.01 -0.72 -3.85 120.40 118.97 2jg8 s VAL 152 Ca 0.00 -0.88 -0.03 0.00 0.00 0.00 0.00 61.98 61.08 2jg8 s VAL 152 Cb -0.13 -1.98 -0.03 0.00 0.00 0.00 0.00 36.38 34.24 2jg8 s VAL 152 CO 0.03 0.55 -0.03 -0.76 0.00 0.00 0.00 175.10 174.88 2jg8 s LEU 153 N 0.32 3.31 -0.20 3.92 1.02 0.13 -2.20 118.68 124.98 2jg8 s LEU 153 Ca -0.15 -0.06 -0.10 0.00 0.02 0.00 0.00 54.13 53.85 2jg8 s LEU 153 Cb -0.17 -1.78 -0.05 0.00 0.02 0.00 0.00 46.19 44.22 2jg8 s LEU 153 CO 0.07 0.24 0.12 -0.22 0.02 0.00 0.00 176.35 176.59 2jg8 s LEU 154 N -0.08 4.16 0.02 1.79 0.20 -0.63 -0.20 118.68 123.94 2jg8 s LEU 154 Ca 0.02 0.20 0.03 0.00 0.69 0.00 0.00 54.13 55.08 2jg8 s LEU 154 Cb -0.13 -2.08 -0.04 0.00 -0.43 0.00 0.00 46.19 43.52 2jg8 s LEU 154 CO 0.02 0.17 -0.04 -0.31 -0.29 0.00 0.00 176.35 175.90 2jg8 s TYR 155 N 0.41 2.94 -0.14 5.38 1.51 0.14 -0.81 117.35 126.78 2jg8 s TYR 155 Ca 0.07 -0.02 -0.01 0.00 -1.01 0.00 0.00 57.07 56.10 2jg8 s TYR 155 Cb -0.11 -1.60 0.04 0.00 -0.11 0.00 0.00 41.96 40.18 2jg8 s TYR 155 CO -0.01 0.41 -0.02 0.50 -1.11 0.00 0.00 175.55 175.32 2jg8 s ARG 156 N -1.65 1.02 -1.60 -0.62 3.52 -0.15 -1.96 118.95 117.51 2jg8 s ARG 156 Ca 0.19 -0.28 -0.12 0.00 -0.13 0.00 0.00 55.73 55.40 2jg8 s ARG 156 Cb -0.11 -1.67 0.10 0.00 -1.56 0.00 0.00 34.95 31.70 2jg8 s ARG 156 CO 0.10 -0.42 0.63 0.43 -0.81 0.00 0.00 175.30 175.24 2jg8 n SER 157 N 5.00 -2.16 0.00 -2.12 7.64 0.44 -1.33 113.62 121.09 2jg8 n SER 157 Ca -0.10 -1.02 0.00 0.00 1.01 0.00 0.00 58.87 58.76 2jg8 n SER 157 Cb 0.49 -2.81 0.00 0.00 -1.01 0.00 0.00 64.21 60.88 2jg8 n SER 157 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2jg8 n GLY 158 N -1.65 1.10 3.44 0.23 0.00 -1.26 -5.02 105.19 102.02 2jg8 n GLY 158 Ca -0.07 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.62 2jg8 n GLY 158 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jg8 s VAL 159 N -2.70 3.49 -0.06 1.61 1.01 -0.44 -5.08 120.40 118.23 2jg8 s VAL 159 Ca 0.00 -0.50 -0.30 0.00 0.00 0.00 0.00 61.98 61.18 2jg8 s VAL 159 Cb 0.00 -2.50 -0.05 0.00 0.00 0.00 0.00 36.38 33.83 2jg8 s VAL 159 CO 0.00 0.51 1.46 -0.75 0.00 0.00 0.00 175.10 176.32 2jg8 s LYS 160 N 0.38 4.23 -0.24 2.72 2.20 -1.26 -0.98 119.74 126.79 2jg8 s LYS 160 Ca -0.07 1.98 -0.16 0.00 -0.36 0.00 0.00 55.97 57.35 2jg8 s LYS 160 Cb -0.15 -3.77 -0.13 0.00 -1.51 0.00 0.00 37.83 32.28 2jg8 s LYS 160 CO 0.04 -0.71 -0.18 0.28 -0.36 0.00 0.00 175.35 174.42 2jg8 n VAL 161 N 5.12 1.52 -3.86 4.02 0.31 0.01 -4.96 118.33 120.49 2jg8 n VAL 161 Ca 0.15 -0.20 -0.11 0.00 -0.01 0.00 0.00 64.34 64.17 2jg8 n VAL 161 Cb 0.44 -2.00 -0.09 0.00 -0.91 0.00 0.00 33.84 31.27 2jg8 n VAL 161 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 2jg8 s VAL 162 N -2.49 0.09 -0.02 2.52 -7.23 -1.23 -5.03 120.40 107.01 2jg8 s VAL 162 Ca -0.34 -0.76 0.02 0.00 -1.81 0.00 0.00 61.98 59.09 2jg8 s VAL 162 Cb 0.11 -0.59 0.01 0.00 0.56 0.00 0.00 36.38 36.46 2jg8 s VAL 162 CO 0.50 -0.42 -0.05 -0.89 -0.31 0.00 0.00 175.10 173.93 2jg8 s THR 163 N -1.75 0.50 -0.04 5.32 2.01 -1.26 -1.61 115.64 118.81 2jg8 s THR 163 Ca -0.12 -0.20 0.01 0.00 0.31 0.00 0.00 61.69 61.69 2jg8 s THR 163 Cb -0.05 -0.47 0.02 0.00 0.01 0.00 0.00 72.50 72.01 2jg8 s THR 163 CO 0.00 0.17 -0.06 -0.36 -0.69 0.00 0.00 174.62 173.69 2jg8 s PHE 164 N 0.29 0.82 0.02 4.92 0.40 -0.93 -5.00 117.98 118.49 2jg8 s PHE 164 Ca -0.03 -0.23 0.09 0.00 -0.60 0.00 0.00 56.93 56.15 2jg8 s PHE 164 Cb -0.07 -0.68 -0.03 0.00 0.51 0.00 0.00 43.02 42.75 2jg8 s PHE 164 CO -0.00 -0.18 -0.26 0.00 0.70 0.00 0.00 175.22 175.48 2jg8 s GLY 166 N -1.01 0.66 -0.11 0.00 0.00 -0.12 -5.00 107.32 101.74 2jg8 s GLY 166 Ca 0.11 -0.34 -0.00 0.00 0.00 0.00 0.00 44.72 44.48 2jg8 s GLY 166 CO 0.01 0.07 -0.08 0.30 0.00 0.00 0.00 173.10 173.40 2jg8 s HIS 167 N 0.50 2.90 0.13 1.90 3.76 -1.26 -1.66 115.29 121.56 2jg8 s HIS 167 Ca -0.10 -0.27 -0.16 0.00 -0.15 0.00 0.00 55.06 54.39 2jg8 s HIS 167 Cb -0.13 -1.81 0.03 0.00 1.11 0.00 0.00 32.58 31.78 2jg8 s HIS 167 CO 0.02 0.06 0.40 -0.08 -0.85 0.00 0.00 174.74 174.29 2jg8 s THR 168 N -0.15 0.07 -0.17 1.30 -1.32 -1.26 -4.97 115.64 109.14 2jg8 s THR 168 Ca 0.01 -0.64 -0.02 0.00 -1.21 0.00 0.00 61.69 59.83 2jg8 s THR 168 Cb -0.13 -1.23 0.05 0.00 -1.51 0.00 0.00 72.50 69.68 2jg8 s THR 168 CO 0.03 -0.31 0.00 -0.55 -2.21 0.00 0.00 174.62 171.58 2jg8 s SER 169 N -2.82 2.72 0.00 8.08 0.15 -1.26 -3.70 113.70 116.88 2jg8 s SER 169 Ca 0.04 -0.68 0.00 0.00 0.70 0.00 0.00 55.95 56.01 2jg8 s SER 169 Cb 0.02 -0.67 0.00 0.00 -1.71 0.00 0.00 66.02 63.65 2jg8 s SER 169 CO -0.11 -0.26 0.00 0.29 1.20 0.00 0.00 173.24 174.37 2jg8 n LYS 170 N 5.00 0.00 -2.82 5.44 5.02 -0.87 -4.94 118.16 125.00 2jg8 n LYS 170 Ca -0.09 0.00 -0.28 0.00 -2.02 0.00 0.00 58.31 55.91 2jg8 n LYS 170 Cb 0.48 -0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 35.47 2jg8 n LYS 170 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2jg8 s THR 171 N 0.00 4.89 -0.10 -0.18 -4.23 -1.26 -4.86 115.64 109.90 2jg8 s THR 171 Ca 0.00 0.29 -0.16 0.00 -1.18 0.00 0.00 61.69 60.64 2jg8 s THR 171 Cb 0.00 -3.81 -0.05 0.00 1.34 0.00 0.00 72.50 69.99 2jg8 s THR 171 CO 0.00 -0.67 0.41 0.21 -0.54 0.00 0.00 174.62 174.04 2jg8 s ASN 172 N -3.68 6.65 0.32 3.99 2.47 -1.26 -4.45 114.94 118.97 2jg8 s ASN 172 Ca 0.48 0.77 0.04 0.00 0.42 0.00 0.00 52.86 54.57 2jg8 s ASN 172 Cb -0.10 -2.25 -0.04 0.00 -1.45 0.00 0.00 41.25 37.41 2jg8 s ASN 172 CO 0.38 0.11 0.17 -1.10 -3.72 0.00 0.00 177.10 172.94 2jg8 s GLN 173 N 0.17 1.64 -0.17 0.43 -0.21 -1.00 -5.01 119.66 115.51 2jg8 s GLN 173 Ca 0.23 -1.94 0.01 0.00 0.02 0.00 0.00 55.36 53.68 2jg8 s GLN 173 Cb -0.15 -0.08 0.02 0.00 1.00 0.00 0.00 33.01 33.80 2jg8 s GLN 173 CO 0.09 -0.48 -0.20 0.08 -2.12 0.00 0.00 175.29 172.66 2jg8 s VAL 174 N -3.56 2.06 -0.16 1.09 1.01 -1.26 -2.12 120.40 117.47 2jg8 s VAL 174 Ca 0.35 -0.95 -0.17 0.00 0.00 0.00 0.00 61.98 61.21 2jg8 s VAL 174 Cb 0.04 -1.85 -0.04 0.00 0.00 0.00 0.00 36.38 34.53 2jg8 s VAL 174 CO 0.19 0.54 0.45 0.21 0.00 0.00 0.00 175.10 176.48 2jg8 s ASN 175 N 1.19 6.58 0.07 3.32 3.84 0.13 -4.87 114.94 125.21 2jg8 s ASN 175 Ca 0.03 0.69 0.05 0.00 0.21 0.00 0.00 52.86 53.83 2jg8 s ASN 175 Cb -0.14 -2.26 -0.03 0.00 -0.55 0.00 0.00 41.25 38.27 2jg8 s ASN 175 CO -0.11 -0.04 -0.15 -0.55 -2.79 0.00 0.00 177.10 173.47 2jg8 s SER 176 N 0.80 1.73 0.08 -4.21 0.15 -1.26 0.61 113.70 111.60 2jg8 s SER 176 Ca 0.23 -0.62 -0.26 0.00 0.70 0.00 0.00 55.95 56.00 2jg8 s SER 176 Cb -0.15 -0.06 0.08 0.00 -1.71 0.00 0.00 66.02 64.19 2jg8 s SER 176 CO 0.09 -0.07 0.80 -0.83 1.20 0.00 0.00 173.24 174.43 2jg8 s GLY 177 N -1.74 -0.46 -0.16 9.45 0.00 -1.02 -4.92 107.32 108.46 2jg8 s GLY 177 Ca -0.01 0.67 -0.35 0.00 0.00 0.00 0.00 44.72 45.03 2jg8 s GLY 177 CO 0.02 0.22 1.34 -0.32 0.00 0.00 0.00 173.10 174.36 2jg8 s GLY 178 N -2.64 -0.34 -0.17 0.20 0.00 -1.26 -1.14 107.32 101.97 2jg8 s GLY 178 Ca 0.05 1.35 -0.30 0.00 0.00 0.00 0.00 44.72 45.81 2jg8 s GLY 178 CO -0.08 0.39 1.08 0.54 0.00 0.00 0.00 173.10 175.03 2jg8 s VAL 179 N -2.21 0.00 -0.17 1.40 0.11 -0.58 -5.00 120.40 113.95 2jg8 s VAL 179 Ca 0.12 0.00 -0.08 0.00 -2.93 0.00 0.00 61.98 59.10 2jg8 s VAL 179 Cb 0.02 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.83 2jg8 s VAL 179 CO -0.04 0.00 0.08 -0.76 -3.33 0.00 0.00 175.10 171.05 2jg8 s LEU 180 N -1.39 3.94 -0.04 2.54 1.43 -1.26 -1.79 118.68 122.11 2jg8 s LEU 180 Ca 0.03 0.16 0.01 0.00 -1.03 0.00 0.00 54.13 53.29 2jg8 s LEU 180 Cb -0.01 -1.99 0.02 0.00 0.03 0.00 0.00 46.19 44.25 2jg8 s LEU 180 CO -0.02 0.22 -0.03 -0.76 0.23 0.00 0.00 176.35 175.99 2jg8 s LEU 181 N 0.13 1.26 -0.60 1.79 1.43 -0.26 -4.97 118.68 117.46 2jg8 s LEU 181 Ca 0.06 -0.09 -0.23 0.00 -1.03 0.00 0.00 54.13 52.85 2jg8 s LEU 181 Cb -0.12 -0.36 0.06 0.00 0.03 0.00 0.00 46.19 45.80 2jg8 s LEU 181 CO 0.00 -0.07 0.90 -0.60 0.23 0.00 0.00 176.35 176.81 2jg8 s ARG 182 N 0.95 3.19 -0.00 1.70 3.52 -1.26 -0.54 118.95 126.51 2jg8 s ARG 182 Ca -0.11 -0.64 -0.02 0.00 -0.13 0.00 0.00 55.73 54.83 2jg8 s ARG 182 Cb -0.14 -4.15 -0.04 0.00 -1.56 0.00 0.00 34.95 29.06 2jg8 s ARG 182 CO -0.01 -1.61 0.16 -0.51 -0.81 0.00 0.00 175.30 172.53 2jg8 s LEU 183 N 3.79 4.24 0.32 -0.88 1.43 0.51 -4.92 118.68 123.18 2jg8 s LEU 183 Ca 0.24 0.28 -0.03 0.00 -1.03 0.00 0.00 54.13 53.59 2jg8 s LEU 183 Cb -0.16 -2.55 -0.04 0.00 0.03 0.00 0.00 46.19 43.47 2jg8 s LEU 183 CO 0.14 0.26 0.57 -1.10 0.23 0.00 0.00 176.35 176.44 2jg8 s GLN 184 N -1.94 3.57 0.25 1.70 1.11 -1.26 -1.49 119.66 121.60 2jg8 s GLN 184 Ca 0.27 -0.09 -0.30 0.00 0.01 0.00 0.00 55.36 55.24 2jg8 s GLN 184 Cb -0.12 -2.63 -0.14 0.00 -1.01 0.00 0.00 33.01 29.10 2jg8 s GLN 184 CO 0.18 0.16 1.27 0.28 0.01 0.00 0.00 175.29 177.19 2jg8 n VAL 185 N -1.31 1.31 0.00 1.09 0.31 -1.26 -2.63 118.33 115.83 2jg8 n VAL 185 Ca -0.03 -0.33 0.00 0.00 -0.01 0.00 0.00 64.34 63.98 2jg8 n VAL 185 Cb 0.55 -1.28 0.00 0.00 -0.91 0.00 0.00 33.84 32.20 2jg8 n VAL 185 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2jg8 n GLY 186 N 1.72 2.48 3.77 2.92 0.00 0.21 -4.98 105.19 111.32 2jg8 n GLY 186 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 2jg8 n GLY 186 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2jg8 s GLU 187 N -0.78 4.23 -0.07 1.61 2.02 -1.08 -4.62 118.70 120.01 2jg8 s GLU 187 Ca 0.00 2.33 -0.03 0.00 0.02 0.00 0.00 54.97 57.29 2jg8 s GLU 187 Cb 0.00 -3.00 -0.04 0.00 0.10 0.00 0.00 34.13 31.19 2jg8 s GLU 187 CO 0.00 -0.34 0.08 -1.21 0.02 0.00 0.00 175.26 173.81 2jg8 s GLU 188 N -1.95 3.20 -0.03 1.61 2.02 -1.26 -1.03 118.70 121.26 2jg8 s GLU 188 Ca 0.51 -0.32 0.03 0.00 0.02 0.00 0.00 54.97 55.21 2jg8 s GLU 188 Cb -0.42 -2.97 -0.00 0.00 0.10 0.00 0.00 34.13 30.84 2jg8 s GLU 188 CO 0.56 0.72 -0.12 0.08 0.02 0.00 0.00 175.26 176.52 2jg8 s VAL 189 N -1.04 0.99 0.22 2.63 1.01 -0.10 -0.42 120.40 123.69 2jg8 s VAL 189 Ca 0.17 -0.49 -0.14 0.00 0.00 0.00 0.00 61.98 61.52 2jg8 s VAL 189 Cb -0.12 -0.86 0.00 0.00 0.00 0.00 0.00 36.38 35.41 2jg8 s VAL 189 CO 0.07 0.29 0.46 -1.66 0.00 0.00 0.00 175.10 174.26 2jg8 s TRP 190 N 0.02 0.22 0.05 5.22 -2.14 -0.83 -0.94 118.94 120.54 2jg8 s TRP 190 Ca -0.01 -0.59 0.04 0.00 2.66 0.00 0.00 56.10 58.20 2jg8 s TRP 190 Cb -0.08 0.21 -0.04 0.00 -3.10 0.00 0.00 33.47 30.46 2jg8 s TRP 190 CO 0.01 -0.93 -0.03 -0.51 -2.66 0.00 0.00 176.95 172.83 2jg8 s LEU 191 N -2.97 3.35 0.05 -4.66 1.43 -1.26 0.24 118.68 114.86 2jg8 s LEU 191 Ca 0.18 -0.15 -0.01 0.00 -1.03 0.00 0.00 54.13 53.11 2jg8 s LEU 191 Cb -0.00 -2.01 -0.04 0.00 0.03 0.00 0.00 46.19 44.17 2jg8 s LEU 191 CO 0.04 0.23 -0.02 0.00 0.23 0.00 0.00 176.35 176.83 2jg8 s ALA 192 N -1.16 0.45 0.32 4.21 0.00 0.73 0.05 121.76 126.36 2jg8 s ALA 192 Ca 0.21 -1.15 0.08 0.00 0.00 0.00 0.00 51.96 51.11 2jg8 s ALA 192 Cb -0.11 0.28 -0.04 0.00 0.00 0.00 0.00 23.12 23.24 2jg8 s ALA 192 CO 0.13 -0.37 0.16 0.14 0.00 0.00 0.00 175.76 175.82 2jg8 s VAL 193 N -3.81 3.39 0.00 0.00 -7.23 -0.25 0.21 120.40 112.70 2jg8 s VAL 193 Ca 0.06 -1.61 0.00 0.00 -1.81 0.00 0.00 61.98 58.62 2jg8 s VAL 193 Cb 0.07 -3.06 0.00 0.00 0.56 0.00 0.00 36.38 33.95 2jg8 s VAL 193 CO -0.10 -0.23 0.00 -0.46 -0.31 0.00 0.00 175.10 174.00 2jg8 n ASN 194 N -1.17 0.00 0.22 4.85 0.23 -1.25 -2.91 115.26 115.23 2jg8 n ASN 194 Ca -0.04 0.00 0.10 0.00 -0.53 0.00 0.00 54.58 54.12 2jg8 n ASN 194 Cb 0.60 0.00 0.38 0.00 -2.08 0.00 0.00 39.78 38.68 2jg8 n ASN 194 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 2jg8 h ASP 195 N 0.00 0.00 -3.02 0.53 3.32 -1.94 0.20 116.42 115.51 2jg8 h ASP 195 Ca 0.00 0.00 -0.70 0.00 0.02 0.00 0.00 57.03 56.35 2jg8 h ASP 195 Cb 0.00 0.00 -0.19 0.00 0.22 0.00 0.00 39.33 39.36 2jg8 h ASP 195 CO 0.00 0.19 0.07 -0.31 -1.72 0.00 0.00 179.24 177.47 2jg8 s TYR 196 N -3.46 3.03 0.00 4.55 4.12 -1.26 -4.91 117.35 119.42 2jg8 s TYR 196 Ca 0.02 -0.84 0.00 0.00 0.02 0.00 0.00 57.07 56.27 2jg8 s TYR 196 Cb 0.09 -3.84 0.00 0.00 -1.52 0.00 0.00 41.96 36.69 2jg8 s TYR 196 CO 0.64 -1.20 0.90 2.48 0.02 0.00 0.00 175.55 178.40 2jg8 n TYR 197 N 6.22 0.00 -2.37 2.71 0.18 -1.18 -1.32 117.16 121.40 2jg8 n TYR 197 Ca -0.09 -0.40 -0.42 0.00 1.88 0.00 0.00 57.90 58.87 2jg8 n TYR 197 Cb 0.43 -0.04 -0.03 0.00 -0.38 0.00 0.00 39.34 39.32 2jg8 n TYR 197 CO 0.00 0.00 0.00 0.34 -2.08 0.00 0.00 176.86 175.12 2jg8 s ASP 198 N -0.81 6.99 -0.23 9.48 -1.08 -0.88 -3.97 116.67 126.18 2jg8 s ASP 198 Ca 0.00 1.95 0.15 0.00 -0.52 0.00 0.00 52.55 54.13 2jg8 s ASP 198 Cb 0.00 -2.56 0.47 0.00 -1.46 0.00 0.00 42.92 39.36 2jg8 s ASP 198 CO 0.00 -0.61 1.17 0.23 0.52 0.00 0.00 175.17 176.48 2jg8 n MET 199 N 5.03 2.24 -3.36 4.34 2.81 -1.26 -4.57 117.12 122.34 2jg8 n MET 199 Ca 0.11 -3.55 -0.46 0.00 -1.81 0.00 0.00 57.70 51.99 2jg8 n MET 199 Cb 0.45 -1.67 -0.02 0.00 -0.71 0.00 0.00 33.22 31.27 2jg8 n MET 199 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 2jg8 s VAL 200 N -3.56 5.56 0.79 2.03 -7.23 -1.25 -4.79 120.40 111.95 2jg8 s VAL 200 Ca 0.39 -2.69 -0.11 0.00 -1.81 0.00 0.00 61.98 57.76 2jg8 s VAL 200 Cb 0.37 -4.42 0.07 0.00 0.56 0.00 0.00 36.38 32.96 2jg8 s VAL 200 CO -0.03 -1.05 1.09 -0.83 -0.31 0.00 0.00 175.10 173.97 2jg8 s GLY 201 N 1.88 1.66 0.99 2.32 0.00 -1.25 -2.98 107.32 109.94 2jg8 s GLY 201 Ca 0.20 0.13 -0.12 0.00 0.00 0.00 0.00 44.72 44.93 2jg8 s GLY 201 CO -0.09 0.51 1.10 -0.26 0.00 0.00 0.00 173.10 174.37 2jg8 s ILE 202 N -2.95 2.05 -0.21 0.90 -4.36 -1.26 -4.88 121.20 110.48 2jg8 s ILE 202 Ca 0.61 0.02 -0.32 0.00 -0.26 0.00 0.00 60.65 60.69 2jg8 s ILE 202 Cb -0.17 -2.54 -0.09 0.00 1.25 0.00 0.00 42.46 40.91 2jg8 s ILE 202 CO 0.56 -0.02 2.10 1.67 0.24 0.00 0.00 174.94 179.49 2jg8 n GLN 203 N -4.13 1.78 -0.12 0.37 7.27 -1.26 -1.78 117.38 119.50 2jg8 n GLN 203 Ca 0.05 0.56 0.00 0.00 0.07 0.00 0.00 57.00 57.68 2jg8 n GLN 203 Cb 0.58 -2.80 0.00 0.00 2.41 0.00 0.00 30.24 30.42 2jg8 n GLN 203 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2jg8 n GLY 204 N 5.57 0.91 2.98 1.69 0.00 -1.26 -5.04 105.19 110.03 2jg8 n GLY 204 Ca 0.31 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.03 2jg8 n GLY 204 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2jg8 s SER 205 N -2.08 3.20 0.55 1.61 0.15 -0.73 -5.13 113.70 111.26 2jg8 s SER 205 Ca 0.00 -0.80 0.04 0.00 0.70 0.00 0.00 55.95 55.90 2jg8 s SER 205 Cb 0.00 -1.16 0.03 0.00 -1.71 0.00 0.00 66.02 63.18 2jg8 s SER 205 CO 0.00 -0.14 0.33 -1.81 1.20 0.00 0.00 173.24 172.82 2jg8 s ASP 206 N 1.46 4.53 -0.06 5.45 -0.00 -1.26 -4.37 116.67 122.40 2jg8 s ASP 206 Ca -0.00 -1.35 0.01 0.00 -0.00 0.00 0.00 52.55 51.21 2jg8 s ASP 206 Cb -0.16 0.51 0.02 0.00 -0.00 0.00 0.00 42.92 43.30 2jg8 s ASP 206 CO -0.08 -1.09 -0.07 -0.44 -0.00 0.00 0.00 175.17 173.48 2jg8 s SER 207 N -4.22 1.46 0.03 0.27 0.01 -1.26 -3.04 113.70 106.94 2jg8 s SER 207 Ca 0.27 -0.20 0.02 0.00 1.31 0.00 0.00 55.95 57.35 2jg8 s SER 207 Cb -0.02 -0.63 -0.02 0.00 0.21 0.00 0.00 66.02 65.57 2jg8 s SER 207 CO 0.17 -0.05 -0.07 -0.69 0.41 0.00 0.00 173.24 173.01 2jg8 s VAL 208 N 1.05 0.47 -0.06 3.43 1.01 0.21 -1.81 120.40 124.70 2jg8 s VAL 208 Ca -0.08 -0.80 -0.01 0.00 0.00 0.00 0.00 61.98 61.08 2jg8 s VAL 208 Cb -0.14 -0.51 0.03 0.00 0.00 0.00 0.00 36.38 35.76 2jg8 s VAL 208 CO -0.01 -0.23 0.02 0.12 0.00 0.00 0.00 175.10 175.00 2jg8 s PHE 209 N -0.99 0.51 0.15 5.22 5.36 0.12 -1.24 117.98 127.10 2jg8 s PHE 209 Ca -0.07 -0.06 0.09 0.00 -0.96 0.00 0.00 56.93 55.93 2jg8 s PHE 209 Cb -0.07 -0.71 -0.04 0.00 -0.34 0.00 0.00 43.02 41.86 2jg8 s PHE 209 CO 0.00 -0.29 -0.20 -1.12 -1.46 0.00 0.00 175.22 172.16 2jg8 s SER 210 N 1.97 2.69 -0.09 6.13 0.01 -0.05 -0.81 113.70 123.55 2jg8 s SER 210 Ca 0.04 -0.81 -0.24 0.00 1.31 0.00 0.00 55.95 56.25 2jg8 s SER 210 Cb -0.12 -0.16 0.06 0.00 0.21 0.00 0.00 66.02 66.00 2jg8 s SER 210 CO -0.04 0.01 0.57 -0.83 0.41 0.00 0.00 173.24 173.35 2jg8 s GLY 211 N -2.43 -0.44 -0.07 3.44 0.00 -0.83 -1.38 107.32 105.62 2jg8 s GLY 211 Ca 0.13 1.17 -0.21 0.00 0.00 0.00 0.00 44.72 45.81 2jg8 s GLY 211 CO 0.06 0.88 0.48 -0.11 0.00 0.00 0.00 173.10 174.41 2jg8 s PHE 212 N -0.83 -0.43 0.05 1.90 -0.12 -0.47 -1.22 117.98 116.86 2jg8 s PHE 212 Ca -0.09 0.82 -0.30 0.00 -0.05 0.00 0.00 56.93 57.31 2jg8 s PHE 212 Cb -0.02 0.22 -0.05 0.00 -0.63 0.00 0.00 43.02 42.54 2jg8 s PHE 212 CO 0.06 -0.43 1.16 -1.17 -0.05 0.00 0.00 175.22 174.79 2jg8 s LEU 213 N -0.88 4.37 -0.17 -1.99 2.96 0.42 -1.51 118.68 121.87 2jg8 s LEU 213 Ca -0.09 1.94 -0.04 0.00 -0.22 0.00 0.00 54.13 55.72 2jg8 s LEU 213 Cb -0.03 -3.58 -0.10 0.00 0.50 0.00 0.00 46.19 42.99 2jg8 s LEU 213 CO 0.05 -0.43 -0.19 0.18 -1.32 0.00 0.00 176.35 174.64 2jg8 n LEU 214 N 3.96 2.18 -3.79 -0.68 4.77 0.60 -4.76 117.00 119.29 2jg8 n LEU 214 Ca 0.08 0.06 -0.29 0.00 -0.03 0.00 0.00 56.01 55.83 2jg8 n LEU 214 Cb 0.47 -0.56 -0.16 0.00 -2.33 0.00 0.00 43.42 40.84 2jg8 n LEU 214 CO 0.55 0.59 -0.37 -0.36 -1.33 0.00 0.00 177.39 176.47 2jg8 s PHE 215 N -2.33 1.57 0.49 -1.77 0.08 -1.15 -4.99 117.98 109.87 2jg8 s PHE 215 Ca -0.24 -1.32 -0.22 0.00 0.12 0.00 0.00 56.93 55.27 2jg8 s PHE 215 Cb 0.08 -1.35 -0.07 0.00 -0.57 0.00 0.00 43.02 41.11 2jg8 s PHE 215 CO 0.36 -0.72 1.20 -2.14 -0.10 0.00 0.00 175.22 173.82 2jg8 s PRO 216 N 1.67 3.56 0.00 0.24 0.02 -1.26 -0.86 135.00 138.37 2jg8 s PRO 216 Ca 0.00 1.85 0.00 0.00 0.02 0.00 0.00 61.00 62.87 2jg8 s PRO 216 Cb -0.18 -2.31 0.00 0.00 0.02 0.00 0.00 34.50 32.03 2jg8 s PRO 216 CO -0.12 -0.74 0.46 -0.40 -0.33 0.00 0.00 177.00 175.88