#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2g8i s ILE 63 N 0.00 3.61 -0.79 3.84 1.01 -1.26 -4.96 121.20 122.64 2g8i s ILE 63 Ca 0.00 1.27 -0.18 0.00 0.00 0.00 0.00 60.65 61.74 2g8i s ILE 63 Cb 0.00 -3.81 0.14 0.00 0.01 0.00 0.00 42.46 38.80 2g8i s ILE 63 CO 0.00 0.16 0.91 -0.63 0.00 0.00 0.00 174.94 175.38 2g8i s ILE 64 N 0.38 4.95 0.45 2.92 1.01 -1.26 -4.88 121.20 124.79 2g8i s ILE 64 Ca 0.56 -1.57 0.14 0.00 0.00 0.00 0.00 60.65 59.79 2g8i s ILE 64 Cb -0.33 -4.61 0.19 0.00 0.01 0.00 0.00 42.46 37.72 2g8i s ILE 64 CO 0.34 -1.28 2.01 -0.50 0.00 0.00 0.00 174.94 175.51 2g8i h TRP 65 N 8.71 0.01 -0.89 3.97 4.06 -1.95 -3.29 115.95 126.57 2g8i h TRP 65 Ca -0.01 -0.00 -0.69 0.00 2.06 0.00 0.00 58.89 60.25 2g8i h TRP 65 Cb 1.05 -0.00 -0.09 0.00 -1.00 0.00 0.00 29.16 29.12 2g8i h TRP 65 CO 1.03 0.17 2.25 -1.91 -3.56 0.00 0.00 178.44 176.42 2g8i n GLU 66 N -4.35 3.18 -3.83 0.49 2.13 -1.26 -2.99 120.64 114.00 2g8i n GLU 66 Ca -0.02 -3.24 -0.08 0.00 0.66 0.00 0.00 57.16 54.47 2g8i n GLU 66 Cb 0.23 -3.40 0.00 0.00 0.27 0.00 0.00 31.44 28.54 2g8i n GLU 66 CO 0.00 0.00 0.00 -1.54 -0.41 0.00 0.00 177.13 175.18 2g8i s SER 67 N 3.83 -0.13 -0.15 4.31 1.04 -1.24 -4.33 113.70 117.02 2g8i s SER 67 Ca 0.51 -0.87 -0.02 0.00 0.48 0.00 0.00 55.95 56.06 2g8i s SER 67 Cb 0.05 0.78 -0.02 0.00 0.10 0.00 0.00 66.02 66.93 2g8i s SER 67 CO 0.04 -1.51 -0.08 -0.22 0.98 0.00 0.00 173.24 172.46 2g8i s LEU 68 N -3.00 2.94 -0.15 2.42 2.96 -0.45 -2.41 118.68 120.99 2g8i s LEU 68 Ca 0.13 -0.27 -0.03 0.00 -0.22 0.00 0.00 54.13 53.74 2g8i s LEU 68 Cb -0.05 -1.69 -0.03 0.00 0.50 0.00 0.00 46.19 44.91 2g8i s LEU 68 CO 0.09 0.14 -0.04 -0.44 -1.32 0.00 0.00 176.35 174.78 2g8i s SER 69 N 0.53 4.81 0.17 3.68 0.01 -0.33 0.06 113.70 122.62 2g8i s SER 69 Ca -0.06 -0.11 0.08 0.00 1.31 0.00 0.00 55.95 57.17 2g8i s SER 69 Cb -0.15 -1.74 -0.04 0.00 0.21 0.00 0.00 66.02 64.30 2g8i s SER 69 CO 0.03 0.19 -0.18 0.68 0.41 0.00 0.00 173.24 174.37 2g8i s VAL 70 N 0.25 1.81 -0.08 3.43 -7.23 -0.67 -0.25 120.40 117.66 2g8i s VAL 70 Ca -0.03 -1.97 -0.30 0.00 -1.81 0.00 0.00 61.98 57.88 2g8i s VAL 70 Cb -0.14 -1.88 0.10 0.00 0.56 0.00 0.00 36.38 35.02 2g8i s VAL 70 CO 0.03 -0.36 0.84 -0.62 -0.31 0.00 0.00 175.10 174.68 2g8i s ASP 71 N -2.77 -0.49 0.48 4.85 2.15 -0.97 -4.52 116.67 115.40 2g8i s ASP 71 Ca 0.17 0.47 -0.03 0.00 0.43 0.00 0.00 52.55 53.59 2g8i s ASP 71 Cb -0.05 0.42 -0.01 0.00 -0.30 0.00 0.00 42.92 42.98 2g8i s ASP 71 CO 0.07 -0.51 0.75 0.54 -0.17 0.00 0.00 175.17 175.84 2g8i s VAL 72 N -1.48 4.26 -0.06 1.11 0.11 -1.26 -2.25 120.40 120.83 2g8i s VAL 72 Ca -0.05 -0.19 -0.05 0.00 -2.93 0.00 0.00 61.98 58.77 2g8i s VAL 72 Cb -0.00 -3.61 0.02 0.00 -1.53 0.00 0.00 36.38 31.25 2g8i s VAL 72 CO 0.03 -0.52 0.15 -0.83 -3.33 0.00 0.00 175.10 170.60 2g8i s GLY 73 N -4.19 -0.11 0.18 6.54 0.00 -0.30 -4.46 107.32 104.98 2g8i s GLY 73 Ca 0.49 0.43 -0.12 0.00 0.00 0.00 0.00 44.72 45.52 2g8i s GLY 73 CO 0.41 0.38 0.37 -1.35 0.00 0.00 0.00 173.10 172.92 2g8i s SER 74 N 0.10 -0.06 -0.39 1.64 1.04 -1.26 -1.00 113.70 113.77 2g8i s SER 74 Ca -0.00 -0.76 0.02 0.00 0.48 0.00 0.00 55.95 55.69 2g8i s SER 74 Cb -0.01 0.49 0.12 0.00 0.10 0.00 0.00 66.02 66.72 2g8i s SER 74 CO 0.00 -0.97 0.16 -1.58 0.98 0.00 0.00 173.24 171.83 2g8i s GLN 75 N -3.94 1.28 0.00 4.02 0.74 -0.47 -4.97 119.66 116.32 2g8i s GLN 75 Ca 0.15 -1.82 0.00 0.00 0.05 0.00 0.00 55.36 53.75 2g8i s GLN 75 Cb 0.02 -2.60 0.00 0.00 1.10 0.00 0.00 33.01 31.52 2g8i s GLN 75 CO 0.00 -1.05 0.00 0.41 -0.55 0.00 0.00 175.29 174.10 2g8i n GLY 76 N 4.00 0.17 3.05 2.59 0.00 -1.26 -2.00 105.19 111.74 2g8i n GLY 76 Ca 0.04 -1.71 -0.02 0.00 0.00 0.00 0.00 46.02 44.33 2g8i n GLY 76 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2g8i s ASN 77 N -1.72 -0.73 0.57 1.61 2.47 -1.26 -3.05 114.94 112.82 2g8i s ASN 77 Ca 0.00 0.23 -0.21 0.00 0.42 0.00 0.00 52.86 53.30 2g8i s ASN 77 Cb 0.00 1.67 -0.04 0.00 -1.45 0.00 0.00 41.25 41.43 2g8i s ASN 77 CO 0.00 -0.30 1.32 -2.84 -3.72 0.00 0.00 177.10 171.56 2g8i s PRO 78 N 2.72 3.04 0.00 0.43 0.02 -1.26 -5.01 135.00 134.93 2g8i s PRO 78 Ca 0.13 2.14 0.00 0.00 0.02 0.00 0.00 61.00 63.29 2g8i s PRO 78 Cb -0.13 -2.15 0.00 0.00 0.02 0.00 0.00 34.50 32.24 2g8i s PRO 78 CO -0.24 -1.24 0.00 0.41 -0.33 0.00 0.00 177.00 175.60 2g8i n GLY 79 N 0.73 1.49 3.72 0.52 0.00 -0.30 -4.89 105.19 106.46 2g8i n GLY 79 Ca 0.12 -0.63 -0.42 0.00 0.00 0.00 0.00 46.02 45.09 2g8i n GLY 79 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2g8i s ILE 80 N -2.27 3.43 0.01 -0.61 1.01 -0.85 -0.98 121.20 120.95 2g8i s ILE 80 Ca 0.00 1.06 0.07 0.00 0.00 0.00 0.00 60.65 61.78 2g8i s ILE 80 Cb 0.00 -3.68 -0.02 0.00 0.01 0.00 0.00 42.46 38.77 2g8i s ILE 80 CO 0.00 0.10 -0.22 -0.69 0.00 0.00 0.00 174.94 174.13 2g8i s VAL 81 N 0.89 1.75 0.32 2.92 1.01 -0.05 -1.37 120.40 125.87 2g8i s VAL 81 Ca 0.62 -1.07 -0.05 0.00 0.00 0.00 0.00 61.98 61.48 2g8i s VAL 81 Cb -0.35 -1.48 0.00 0.00 0.00 0.00 0.00 36.38 34.55 2g8i s VAL 81 CO 0.32 0.38 0.47 -1.83 0.00 0.00 0.00 175.10 174.43 2g8i s GLU 82 N -0.81 1.82 0.11 2.72 -1.05 -0.17 0.02 118.70 121.34 2g8i s GLU 82 Ca 0.09 -1.65 -0.25 0.00 -0.15 0.00 0.00 54.97 53.01 2g8i s GLU 82 Cb -0.09 0.45 0.08 0.00 -0.44 0.00 0.00 34.13 34.12 2g8i s GLU 82 CO 0.00 -0.75 0.75 1.52 0.95 0.00 0.00 175.26 177.73 2g8i s TYR 83 N -3.27 -0.39 0.13 4.83 -0.85 -1.26 -1.15 117.35 115.39 2g8i s TYR 83 Ca 0.29 0.18 -0.11 0.00 -0.52 0.00 0.00 57.07 56.91 2g8i s TYR 83 Cb -0.00 0.58 0.01 0.00 0.38 0.00 0.00 41.96 42.92 2g8i s TYR 83 CO 0.17 -0.78 0.29 -1.59 -1.52 0.00 0.00 175.55 172.13 2g8i s LYS 84 N -3.49 1.03 -0.02 -3.49 -2.85 -0.96 -0.80 119.74 109.16 2g8i s LYS 84 Ca 0.05 -0.96 0.05 0.00 -1.00 0.00 0.00 55.97 54.11 2g8i s LYS 84 Cb -0.02 0.40 -0.01 0.00 -2.06 0.00 0.00 37.83 36.14 2g8i s LYS 84 CO -0.08 -0.38 -0.18 0.20 0.10 0.00 0.00 175.35 175.01 2g8i s GLY 85 N -2.88 0.91 0.08 0.59 0.00 0.08 -2.28 107.32 103.82 2g8i s GLY 85 Ca 0.09 -0.77 0.02 0.00 0.00 0.00 0.00 44.72 44.05 2g8i s GLY 85 CO -0.07 -0.57 -0.07 -1.34 0.00 0.00 0.00 173.10 171.05 2g8i s VAL 86 N -0.29 0.62 -0.21 1.40 -7.23 0.66 -0.55 120.40 114.79 2g8i s VAL 86 Ca 0.04 -1.72 -0.29 0.00 -1.81 0.00 0.00 61.98 58.20 2g8i s VAL 86 Cb -0.08 -1.41 -0.01 0.00 0.56 0.00 0.00 36.38 35.43 2g8i s VAL 86 CO 0.00 -0.77 1.34 -0.62 -0.31 0.00 0.00 175.10 174.75 2g8i s ASP 87 N -2.69 6.77 0.35 4.85 -1.08 -0.25 -1.19 116.67 123.44 2g8i s ASP 87 Ca 0.06 1.57 0.08 0.00 -0.52 0.00 0.00 52.55 53.74 2g8i s ASP 87 Cb 0.02 -2.54 0.79 0.00 -1.46 0.00 0.00 42.92 39.73 2g8i s ASP 87 CO -0.04 -0.93 1.87 0.74 0.52 0.00 0.00 175.17 177.33 2g8i h THR 88 N 5.72 0.86 -0.11 1.71 2.02 -1.68 0.67 112.91 122.12 2g8i h THR 88 Ca -0.28 -0.25 -0.03 0.00 0.77 0.00 0.00 66.41 66.62 2g8i h THR 88 Cb 1.11 0.07 -0.00 0.00 -1.74 0.00 0.00 68.15 67.59 2g8i h THR 88 CO 0.99 0.13 -0.06 0.50 0.37 0.00 0.00 175.52 177.46 2g8i h LYS 89 N 0.72 0.22 0.00 6.66 3.64 -1.78 -3.38 116.57 122.65 2g8i h LYS 89 Ca 0.44 -0.10 -0.31 0.00 -1.27 0.00 0.00 60.65 59.41 2g8i h LYS 89 Cb 0.66 -0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 32.42 2g8i h LYS 89 CO -0.20 0.58 -2.18 0.25 -2.27 0.00 0.00 179.45 175.63 2g8i n THR 90 N -4.71 1.19 -0.16 1.00 -2.24 -1.09 -5.01 114.28 103.26 2g8i n THR 90 Ca -0.07 -0.70 0.00 0.00 -2.27 0.00 0.00 64.05 61.01 2g8i n THR 90 Cb 0.28 -0.62 0.00 0.00 -2.10 0.00 0.00 70.33 67.89 2g8i n THR 90 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2g8i n GLY 91 N 1.99 0.58 3.73 3.38 0.00 0.23 -5.00 105.19 110.11 2g8i n GLY 91 Ca -0.29 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.31 2g8i n GLY 91 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2g8i n GLU 92 N -2.00 2.78 -2.48 1.61 2.13 -1.26 -4.61 120.64 116.81 2g8i n GLU 92 Ca 0.00 1.00 -0.43 0.00 0.66 0.00 0.00 57.16 58.39 2g8i n GLU 92 Cb 0.00 -2.82 -0.02 0.00 0.27 0.00 0.00 31.44 28.86 2g8i n GLU 92 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 2g8i s VAL 93 N 0.74 4.34 -0.09 6.31 1.01 -1.26 -1.09 120.40 130.36 2g8i s VAL 93 Ca 0.71 1.60 0.14 0.00 0.00 0.00 0.00 61.98 64.43 2g8i s VAL 93 Cb -0.50 -4.11 -0.23 0.00 0.00 0.00 0.00 36.38 31.55 2g8i s VAL 93 CO 0.38 -0.22 0.52 0.18 0.00 0.00 0.00 175.10 175.96 2g8i n LEU 94 N 6.76 0.64 -3.52 3.92 4.32 0.28 -4.98 117.00 124.43 2g8i n LEU 94 Ca 0.14 0.30 -0.13 0.00 -0.02 0.00 0.00 56.01 56.30 2g8i n LEU 94 Cb 0.45 0.24 -0.04 0.00 -1.62 0.00 0.00 43.42 42.46 2g8i n LEU 94 CO 0.57 0.39 0.59 0.72 -1.22 0.00 0.00 177.39 178.44 2g8i s PHE 95 N -2.61 -0.48 -0.16 -1.77 -0.12 -1.12 -4.97 117.98 106.75 2g8i s PHE 95 Ca -0.06 0.64 -0.11 0.00 -0.05 0.00 0.00 56.93 57.35 2g8i s PHE 95 Cb 0.08 0.47 0.05 0.00 -0.63 0.00 0.00 43.02 42.99 2g8i s PHE 95 CO 0.83 -0.55 0.40 -2.00 -0.05 0.00 0.00 175.22 173.85 2g8i s GLU 96 N -2.01 0.42 -0.01 1.99 2.12 -1.26 -0.74 118.70 119.21 2g8i s GLU 96 Ca -0.03 0.67 -0.19 0.00 0.36 0.00 0.00 54.97 55.79 2g8i s GLU 96 Cb -0.01 0.09 -0.05 0.00 0.26 0.00 0.00 34.13 34.42 2g8i s GLU 96 CO -0.00 -0.11 0.53 0.50 -0.54 0.00 0.00 175.26 175.63 2g8i s ARG 97 N 0.83 4.22 0.33 4.30 6.06 0.02 -5.00 118.95 129.70 2g8i s ARG 97 Ca -0.05 0.61 -0.29 0.00 -2.50 0.00 0.00 55.73 53.50 2g8i s ARG 97 Cb -0.06 -3.32 -0.11 0.00 0.06 0.00 0.00 34.95 31.52 2g8i s ARG 97 CO -0.06 0.44 1.53 -2.00 -2.50 0.00 0.00 175.30 172.71 2g8i s GLU 98 N -0.37 4.13 0.21 5.12 2.12 -1.26 -4.18 118.70 124.47 2g8i s GLU 98 Ca 0.28 2.55 -0.32 0.00 0.36 0.00 0.00 54.97 57.84 2g8i s GLU 98 Cb -0.17 -3.01 -0.15 0.00 0.26 0.00 0.00 34.13 31.06 2g8i s GLU 98 CO 0.15 -0.56 1.22 -2.30 -0.54 0.00 0.00 175.26 173.23 2g8i n PRO 99 N 1.40 1.46 -3.90 4.30 -0.02 -1.26 -4.83 135.00 132.16 2g8i n PRO 99 Ca 0.05 0.52 -0.36 0.00 -2.02 0.00 0.00 63.50 61.69 2g8i n PRO 99 Cb 0.38 -2.05 -0.12 0.00 -0.02 0.00 0.00 33.50 31.69 2g8i n PRO 99 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2g8i s ILE 100 N -0.28 4.26 0.23 4.25 1.01 0.10 -4.94 121.20 125.83 2g8i s ILE 100 Ca 0.69 -0.20 -0.16 0.00 0.00 0.00 0.00 60.65 60.99 2g8i s ILE 100 Cb -0.77 -2.96 0.25 0.00 0.01 0.00 0.00 42.46 39.00 2g8i s ILE 100 CO 0.53 0.39 1.48 -2.65 0.00 0.00 0.00 174.94 174.68 2g8i n PRO 101 N 4.50 -0.21 -3.83 2.79 -0.02 -1.26 -0.87 135.00 136.10 2g8i n PRO 101 Ca -0.17 1.47 -0.15 0.00 -2.02 0.00 0.00 63.50 62.64 2g8i n PRO 101 Cb 0.52 -2.18 -0.16 0.00 -0.02 0.00 0.00 33.50 31.65 2g8i n PRO 101 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2g8i s ILE 102 N -5.94 0.01 0.04 4.25 1.01 -1.25 -3.08 121.20 116.25 2g8i s ILE 102 Ca -0.13 0.15 -0.28 0.00 0.00 0.00 0.00 60.65 60.39 2g8i s ILE 102 Cb 0.20 -0.12 0.10 0.00 0.01 0.00 0.00 42.46 42.65 2g8i s ILE 102 CO 0.69 0.09 1.20 -0.83 0.00 0.00 0.00 174.94 176.09 2g8i s GLY 103 N 0.89 -0.21 0.32 6.18 0.00 -0.15 -4.37 107.32 109.98 2g8i s GLY 103 Ca -0.08 0.23 0.07 0.00 0.00 0.00 0.00 44.72 44.95 2g8i s GLY 103 CO -0.02 2.15 0.31 -0.51 0.00 0.00 0.00 173.10 175.03 2g8i s THR 104 N -2.36 3.88 0.15 0.90 -4.23 -1.26 -1.15 115.64 111.57 2g8i s THR 104 Ca 0.20 -1.29 -0.17 0.00 -1.18 0.00 0.00 61.69 59.25 2g8i s THR 104 Cb 0.01 -3.30 0.00 0.00 1.34 0.00 0.00 72.50 70.55 2g8i s THR 104 CO -0.00 -0.21 1.79 -0.55 -0.54 0.00 0.00 174.62 175.10 2g8i h ASN 105 N 1.23 0.31 -0.40 3.99 -1.07 -1.95 -2.11 115.58 115.58 2g8i h ASN 105 Ca -0.46 0.01 -0.07 0.00 0.07 0.00 0.00 56.30 55.85 2g8i h ASN 105 Cb 1.25 -0.06 -0.02 0.00 -2.07 0.00 0.00 38.32 37.42 2g8i h ASN 105 CO 0.58 0.22 0.00 0.78 0.07 0.00 0.00 177.43 179.08 2g8i h ASN 106 N 0.40 0.75 -0.58 6.14 2.35 -1.99 -0.45 115.58 122.20 2g8i h ASN 106 Ca 0.14 -0.18 -0.05 0.00 -0.55 0.00 0.00 56.30 55.66 2g8i h ASN 106 Cb 0.02 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.16 2g8i h ASN 106 CO -0.07 0.82 0.16 0.24 -1.65 0.00 0.00 177.43 176.92 2g8i h MET 107 N 0.73 0.92 -0.66 0.81 2.86 -1.92 -0.79 114.93 116.89 2g8i h MET 107 Ca 0.14 -0.21 -0.07 0.00 -2.06 0.00 0.00 59.70 57.50 2g8i h MET 107 Cb 0.45 -0.13 -0.03 0.00 0.06 0.00 0.00 31.60 31.95 2g8i h MET 107 CO 0.02 0.84 0.14 0.78 1.06 0.00 0.00 176.91 179.75 2g8i h GLY 108 N 0.83 1.15 1.44 8.32 0.00 -0.97 0.60 103.07 114.44 2g8i h GLY 108 Ca 0.19 -0.74 -0.05 0.00 0.00 0.00 0.00 47.33 46.73 2g8i h GLY 108 CO -0.00 0.68 0.08 0.83 0.00 0.00 0.00 176.54 178.13 2g8i h GLU 109 N 0.99 0.70 0.08 4.80 4.39 -0.85 -1.07 114.58 123.63 2g8i h GLU 109 Ca 0.20 -0.14 -0.00 0.00 0.34 0.00 0.00 59.36 59.76 2g8i h GLU 109 Cb 0.39 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 28.94 2g8i h GLU 109 CO 0.01 0.66 -0.04 0.35 -1.16 0.00 0.00 179.01 178.83 2g8i h PHE 110 N 0.68 -0.10 -0.49 4.33 3.57 -0.59 -2.83 116.94 121.49 2g8i h PHE 110 Ca 0.15 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.67 2g8i h PHE 110 Cb 0.30 0.03 -0.03 0.00 2.79 0.00 0.00 35.95 39.05 2g8i h PHE 110 CO 0.01 0.25 0.33 -0.07 -2.23 0.00 0.00 178.31 176.61 2g8i h LEU 111 N -0.47 0.49 -0.49 0.59 3.38 -0.69 -1.85 115.31 116.27 2g8i h LEU 111 Ca -0.01 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 2g8i h LEU 111 Cb 0.40 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 2g8i h LEU 111 CO 0.02 0.34 0.18 0.00 0.09 0.00 0.00 178.44 179.07 2g8i h ALA 112 N 1.71 0.63 -0.17 1.53 0.00 -1.12 -0.16 119.26 121.68 2g8i h ALA 112 Ca 0.20 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 2g8i h ALA 112 Cb 0.08 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 2g8i h ALA 112 CO -0.05 0.26 -0.06 0.82 0.00 0.00 0.00 179.25 180.21 2g8i h ILE 113 N 0.65 1.30 -0.88 0.00 2.04 -1.17 -1.55 117.51 117.91 2g8i h ILE 113 Ca 0.16 -1.08 -0.03 0.00 1.00 0.00 0.00 64.86 64.91 2g8i h ILE 113 Cb 0.22 1.66 -0.04 0.00 -0.74 0.00 0.00 36.82 37.92 2g8i h ILE 113 CO -0.01 0.32 0.44 0.58 0.00 0.00 0.00 178.15 179.49 2g8i h VAL 114 N 0.03 1.26 -0.57 1.67 2.07 -1.29 0.63 116.25 120.05 2g8i h VAL 114 Ca 0.04 -0.70 -0.05 0.00 0.82 0.00 0.00 66.70 66.81 2g8i h VAL 114 Cb 0.53 0.11 -0.03 0.00 -1.52 0.00 0.00 31.29 30.38 2g8i h VAL 114 CO 0.02 0.31 0.14 -0.74 0.02 0.00 0.00 177.57 177.32 2g8i h HIS 115 N 1.24 0.90 -0.75 1.57 -0.00 -0.96 -1.60 115.15 115.55 2g8i h HIS 115 Ca 0.30 -0.08 -0.03 0.00 -0.00 0.00 0.00 60.37 60.56 2g8i h HIS 115 Cb 0.08 -0.26 -0.03 0.00 -0.00 0.00 0.00 27.41 27.20 2g8i h HIS 115 CO 0.01 0.74 0.35 0.78 -0.00 0.00 0.00 177.93 179.82 2g8i h GLY 116 N 0.99 1.16 0.99 5.26 0.00 -0.17 0.13 103.07 111.43 2g8i h GLY 116 Ca 0.18 -0.58 -0.00 0.00 0.00 0.00 0.00 47.33 46.93 2g8i h GLY 116 CO -0.00 0.55 0.29 1.41 0.00 0.00 0.00 176.54 178.79 2g8i h LEU 117 N 1.05 0.60 -0.63 3.11 3.38 -0.28 -1.16 115.31 121.39 2g8i h LEU 117 Ca 0.26 -0.07 -0.13 0.00 0.09 0.00 0.00 57.88 58.03 2g8i h LEU 117 Cb 0.13 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 2g8i h LEU 117 CO -0.03 0.49 -0.27 0.03 0.09 0.00 0.00 178.44 178.75 2g8i h ARG 118 N 0.66 0.78 -0.17 1.13 3.08 -0.97 -1.28 114.38 117.61 2g8i h ARG 118 Ca 0.18 -0.34 -0.00 0.00 0.07 0.00 0.00 59.98 59.88 2g8i h ARG 118 Cb 0.01 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.03 2g8i h ARG 118 CO -0.03 0.97 0.09 -0.92 -1.07 0.00 0.00 179.97 179.00 2g8i h TYR 119 N 0.67 0.23 -0.42 3.04 3.20 -0.48 -1.71 116.97 121.50 2g8i h TYR 119 Ca 0.08 -0.01 -0.14 0.00 3.14 0.00 0.00 58.73 61.81 2g8i h TYR 119 Cb 0.80 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.99 2g8i h TYR 119 CO 0.04 0.23 -0.28 -0.07 -1.64 0.00 0.00 178.16 176.44 2g8i h LEU 120 N 0.16 0.97 -0.67 2.82 3.38 -1.15 -3.05 115.31 117.77 2g8i h LEU 120 Ca 0.06 -0.43 -0.04 0.00 0.09 0.00 0.00 57.88 57.56 2g8i h LEU 120 Cb 0.08 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.53 2g8i h LEU 120 CO -0.01 1.19 0.27 0.50 0.09 0.00 0.00 178.44 180.49 2g8i h LYS 121 N 0.76 1.00 -0.21 1.13 3.64 -1.16 -0.25 116.57 121.47 2g8i h LYS 121 Ca 0.08 -0.18 -0.01 0.00 -1.27 0.00 0.00 60.65 59.28 2g8i h LYS 121 Cb 0.86 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.51 2g8i h LYS 121 CO 0.08 0.83 0.08 1.49 -2.27 0.00 0.00 179.45 179.66 2g8i h GLU 122 N 0.94 0.29 -0.63 1.90 4.57 -1.27 -2.12 114.58 118.25 2g8i h GLU 122 Ca 0.22 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.38 2g8i h GLU 122 Cb 0.20 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 28.73 2g8i h GLU 122 CO -0.02 0.24 0.00 2.89 -1.18 0.00 0.00 179.01 180.94 2g8i n ARG 123 N -4.45 3.65 -3.75 1.92 1.85 -1.01 -4.96 116.66 109.91 2g8i n ARG 123 Ca 0.00 -2.86 -0.25 0.00 -1.00 0.00 0.00 57.85 53.74 2g8i n ARG 123 Cb 0.12 -1.86 0.04 0.00 -1.05 0.00 0.00 32.46 29.71 2g8i n ARG 123 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 2g8i n ASN 124 N 1.07 -3.67 -4.68 2.89 5.03 -0.80 -4.98 115.26 110.12 2g8i n ASN 124 Ca 0.25 -0.74 -0.35 0.00 0.87 0.00 0.00 54.58 54.61 2g8i n ASN 124 Cb 0.87 -4.24 -0.09 0.00 -1.02 0.00 0.00 39.78 35.29 2g8i n ASN 124 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 2g8i s SER 125 N -3.74 5.51 0.00 6.41 0.15 -0.17 -4.99 113.70 116.87 2g8i s SER 125 Ca 0.38 0.15 0.23 0.00 0.70 0.00 0.00 55.95 57.40 2g8i s SER 125 Cb -0.19 -1.77 0.62 0.00 -1.71 0.00 0.00 66.02 62.97 2g8i s SER 125 CO 0.80 0.29 1.52 0.54 1.20 0.00 0.00 173.24 177.59 2g8i n ARG 126 N 2.76 2.67 -1.82 5.44 1.74 -1.26 -4.55 116.66 121.64 2g8i n ARG 126 Ca -0.18 -2.59 -0.37 0.00 -0.77 0.00 0.00 57.85 53.94 2g8i n ARG 126 Cb 0.53 -1.56 0.05 0.00 -1.02 0.00 0.00 32.46 30.46 2g8i n ARG 126 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 2g8i s LYS 127 N -1.07 2.91 0.72 5.56 1.02 -1.26 -4.79 119.74 122.82 2g8i s LYS 127 Ca 0.48 2.10 -0.10 0.00 0.02 0.00 0.00 55.97 58.46 2g8i s LYS 127 Cb 0.25 -2.06 0.04 0.00 -0.52 0.00 0.00 37.83 35.54 2g8i s LYS 127 CO 0.33 -1.33 1.09 -1.25 -0.92 0.00 0.00 175.35 173.27 2g8i s PRO 128 N -3.14 2.53 -0.07 -1.68 0.04 -1.26 -4.64 135.00 126.78 2g8i s PRO 128 Ca 0.76 0.22 0.04 0.00 0.04 0.00 0.00 61.00 62.06 2g8i s PRO 128 Cb -0.38 -2.05 -0.02 0.00 0.04 0.00 0.00 34.50 32.10 2g8i s PRO 128 CO 0.42 -1.18 -0.17 0.42 0.04 0.00 0.00 177.00 176.52 2g8i s ILE 129 N -3.37 2.75 -0.10 0.56 1.01 -0.12 -1.35 121.20 120.59 2g8i s ILE 129 Ca 0.59 -0.82 -0.03 0.00 0.00 0.00 0.00 60.65 60.39 2g8i s ILE 129 Cb -0.11 -2.07 -0.03 0.00 0.01 0.00 0.00 42.46 40.26 2g8i s ILE 129 CO 0.49 0.57 0.01 -0.31 0.00 0.00 0.00 174.94 175.70 2g8i s TYR 130 N -0.33 3.17 -0.04 3.97 1.51 0.11 -0.19 117.35 125.55 2g8i s TYR 130 Ca 0.02 0.15 -0.08 0.00 -1.01 0.00 0.00 57.07 56.16 2g8i s TYR 130 Cb -0.13 -1.83 0.01 0.00 -0.11 0.00 0.00 41.96 39.91 2g8i s TYR 130 CO 0.02 0.41 0.19 0.45 -1.11 0.00 0.00 175.55 175.51 2g8i s SER 131 N -0.69 -0.11 0.00 2.29 0.15 -0.68 -1.67 113.70 112.99 2g8i s SER 131 Ca 0.11 0.12 0.22 0.00 0.70 0.00 0.00 55.95 57.10 2g8i s SER 131 Cb -0.12 0.32 0.53 0.00 -1.71 0.00 0.00 66.02 65.04 2g8i s SER 131 CO 0.02 -0.24 1.46 -0.90 1.20 0.00 0.00 173.24 174.78 2g8i n ASP 132 N 2.14 3.37 -4.41 5.45 5.68 -1.26 -0.83 116.55 126.68 2g8i n ASP 132 Ca -0.18 -1.97 -0.44 0.00 -0.50 0.00 0.00 54.79 51.70 2g8i n ASP 132 Cb 0.57 -0.32 -0.07 0.00 -1.14 0.00 0.00 41.12 40.15 2g8i n ASP 132 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 2g8i s SER 133 N -1.28 6.18 0.27 -1.12 0.15 -1.26 -4.89 113.70 111.74 2g8i s SER 133 Ca 0.41 -1.18 -0.03 0.00 0.70 0.00 0.00 55.95 55.85 2g8i s SER 133 Cb 0.23 -2.23 0.35 0.00 -1.71 0.00 0.00 66.02 62.66 2g8i s SER 133 CO 0.31 -0.75 1.88 -0.61 1.20 0.00 0.00 173.24 175.27 2g8i h GLN 134 N 8.85 1.06 -0.00 5.44 -0.00 -2.00 -1.90 115.11 126.56 2g8i h GLN 134 Ca -0.28 -0.13 -0.00 0.00 -0.00 0.00 0.00 58.65 58.24 2g8i h GLN 134 Cb 1.10 -0.20 -0.00 0.00 0.00 0.00 0.00 27.48 28.38 2g8i h GLN 134 CO 0.92 0.80 0.00 1.15 0.00 0.00 0.00 178.83 181.70 2g8i h THR 135 N 1.07 1.14 -0.53 2.39 2.02 -1.99 -2.44 112.91 114.57 2g8i h THR 135 Ca 0.27 -0.41 -0.07 0.00 0.77 0.00 0.00 66.41 66.97 2g8i h THR 135 Cb 0.06 1.41 -0.02 0.00 -1.74 0.00 0.00 68.15 67.86 2g8i h THR 135 CO -0.04 0.11 0.04 0.00 0.37 0.00 0.00 175.52 176.00 2g8i h ALA 136 N 0.83 1.08 -0.78 6.16 0.00 -1.80 -0.81 119.26 123.94 2g8i h ALA 136 Ca 0.00 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.63 2g8i h ALA 136 Cb 0.17 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 2g8i h ALA 136 CO -0.00 0.59 0.41 0.82 0.00 0.00 0.00 179.25 181.06 2g8i h ILE 137 N 0.81 1.24 -0.28 0.00 2.04 -1.31 -0.46 117.51 119.55 2g8i h ILE 137 Ca 0.16 -0.63 -0.06 0.00 1.00 0.00 0.00 64.86 65.33 2g8i h ILE 137 Cb 0.42 0.23 -0.01 0.00 -0.74 0.00 0.00 36.82 36.72 2g8i h ILE 137 CO 0.01 0.27 -0.07 0.50 0.00 0.00 0.00 178.15 178.87 2g8i h LYS 138 N 1.09 0.54 -0.84 2.37 3.64 -1.02 -1.38 116.57 120.97 2g8i h LYS 138 Ca 0.27 -0.21 0.05 0.00 -1.27 0.00 0.00 60.65 59.50 2g8i h LYS 138 Cb 0.07 -0.03 -0.06 0.00 -0.41 0.00 0.00 32.23 31.80 2g8i h LYS 138 CO -0.04 0.75 0.53 -1.49 -2.27 0.00 0.00 179.45 176.92 2g8i h TRP 139 N 0.30 0.98 -0.50 1.91 6.55 -0.79 0.91 115.95 125.30 2g8i h TRP 139 Ca 0.07 0.03 -0.10 0.00 0.95 0.00 0.00 58.89 59.84 2g8i h TRP 139 Cb 0.55 -0.32 -0.02 0.00 -0.86 0.00 0.00 29.16 28.51 2g8i h TRP 139 CO 0.05 0.51 -0.07 0.28 -1.05 0.00 0.00 178.44 178.16 2g8i h VAL 140 N 0.98 1.27 -0.91 1.49 2.07 -0.98 0.22 116.25 120.38 2g8i h VAL 140 Ca 0.36 -1.20 0.01 0.00 0.82 0.00 0.00 66.70 66.69 2g8i h VAL 140 Cb 0.13 1.02 -0.05 0.00 -1.52 0.00 0.00 31.29 30.87 2g8i h VAL 140 CO -0.16 0.42 0.61 0.50 0.02 0.00 0.00 177.57 178.96 2g8i h LYS 141 N 0.80 1.20 0.00 1.57 3.64 -0.27 -1.65 116.57 121.86 2g8i h LYS 141 Ca 0.13 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 2g8i h LYS 141 Cb 0.62 -0.27 0.00 0.00 -0.41 0.00 0.00 32.23 32.17 2g8i h LYS 141 CO 0.04 0.79 -0.10 -0.25 -2.27 0.00 0.00 179.45 177.66 2g8i n ASP 142 N -4.45 0.21 -2.90 4.20 8.00 0.22 -4.91 116.55 116.92 2g8i n ASP 142 Ca 0.10 0.38 -0.22 0.00 0.71 0.00 0.00 54.79 55.76 2g8i n ASP 142 Cb 0.02 -0.39 0.02 0.00 -0.02 0.00 0.00 41.12 40.74 2g8i n ASP 142 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2g8i n LYS 143 N -1.62 -3.96 -3.50 -1.24 5.02 0.61 -4.95 118.16 108.52 2g8i n LYS 143 Ca 0.06 0.87 -0.05 0.00 -2.02 0.00 0.00 58.31 57.18 2g8i n LYS 143 Cb 0.35 -5.67 -0.07 0.00 -0.02 0.00 0.00 35.03 29.63 2g8i n LYS 143 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 2g8i s LYS 144 N -5.57 0.42 -0.55 1.97 2.47 -0.33 -4.88 119.74 113.28 2g8i s LYS 144 Ca 0.24 1.01 -0.24 0.00 -1.56 0.00 0.00 55.97 55.41 2g8i s LYS 144 Cb -0.11 0.30 0.04 0.00 -1.46 0.00 0.00 37.83 36.60 2g8i s LYS 144 CO 0.29 -0.39 0.93 0.00 0.16 0.00 0.00 175.35 176.34 2g8i s ALA 145 N 2.70 3.17 -0.92 3.13 0.00 -1.26 -4.51 121.76 124.07 2g8i s ALA 145 Ca 0.05 -1.25 -0.07 0.00 0.00 0.00 0.00 51.96 50.69 2g8i s ALA 145 Cb -0.13 -3.72 -0.04 0.00 0.00 0.00 0.00 23.12 19.22 2g8i s ALA 145 CO -0.16 -2.36 2.93 1.17 0.00 0.00 0.00 175.76 177.34 2g8i n LYS 146 N 7.40 3.27 -2.86 0.00 4.81 -1.26 -4.94 118.16 124.58 2g8i n LYS 146 Ca 0.01 -2.29 -0.35 0.00 -0.87 0.00 0.00 58.31 54.82 2g8i n LYS 146 Cb 0.47 -2.43 -0.07 0.00 0.02 0.00 0.00 35.03 33.03 2g8i n LYS 146 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 2g8i s SER 147 N 1.27 7.11 -0.20 3.14 0.15 -1.26 -4.97 113.70 118.95 2g8i s SER 147 Ca 0.63 1.69 0.15 0.00 0.70 0.00 0.00 55.95 59.12 2g8i s SER 147 Cb 0.26 -2.53 0.45 0.00 -1.71 0.00 0.00 66.02 62.48 2g8i s SER 147 CO -0.09 -0.18 1.34 0.35 1.20 0.00 0.00 173.24 175.86 2g8i n THR 148 N 0.04 2.24 -2.01 6.45 -2.24 -1.26 -4.99 114.28 112.50 2g8i n THR 148 Ca 0.04 -2.35 -0.42 0.00 -2.27 0.00 0.00 64.05 59.06 2g8i n THR 148 Cb 0.52 -0.27 -0.02 0.00 -2.10 0.00 0.00 70.33 68.46 2g8i n THR 148 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 2g8i s LEU 149 N -2.99 4.38 0.39 3.22 2.96 -1.26 -4.91 118.68 120.47 2g8i s LEU 149 Ca 0.40 2.63 -0.26 0.00 -0.22 0.00 0.00 54.13 56.67 2g8i s LEU 149 Cb 0.34 -3.62 -0.11 0.00 0.50 0.00 0.00 46.19 43.31 2g8i s LEU 149 CO 0.03 -0.71 1.30 0.55 -1.32 0.00 0.00 176.35 176.20 2g8i n VAL 150 N 2.73 2.35 -3.34 1.68 3.14 -1.26 -4.95 118.33 118.68 2g8i n VAL 150 Ca 0.08 -0.50 -0.44 0.00 -2.96 0.00 0.00 64.34 60.53 2g8i n VAL 150 Cb 0.40 -1.61 -0.08 0.00 -1.06 0.00 0.00 33.84 31.49 2g8i n VAL 150 CO 0.00 0.00 0.00 -0.13 -6.46 0.00 0.00 176.83 170.24 2g8i s ARG 151 N -2.11 3.04 0.13 1.45 0.52 -1.26 -4.73 118.95 116.00 2g8i s ARG 151 Ca 0.59 -1.00 0.00 0.00 -0.52 0.00 0.00 55.73 54.80 2g8i s ARG 151 Cb -0.52 -4.04 0.00 0.00 0.52 0.00 0.00 34.95 30.91 2g8i s ARG 151 CO 0.60 -0.95 0.17 0.27 0.02 0.00 0.00 175.30 175.41 2g8i n ASN 152 N 5.50 -0.47 -0.26 0.23 0.23 -1.26 -5.02 115.26 114.22 2g8i n ASN 152 Ca -0.09 -1.74 0.04 0.00 -0.53 0.00 0.00 54.58 52.26 2g8i n ASN 152 Cb 0.46 0.90 0.17 0.00 -2.08 0.00 0.00 39.78 39.23 2g8i n ASN 152 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 2g8i h GLU 153 N 0.00 0.54 0.00 -3.83 3.07 -2.00 -1.70 114.58 110.65 2g8i h GLU 153 Ca -0.10 -0.03 -0.09 0.00 -0.50 0.00 0.00 59.36 58.63 2g8i h GLU 153 Cb 0.45 -0.12 -0.01 0.00 -0.84 0.00 0.00 28.75 28.23 2g8i h GLU 153 CO 0.14 0.35 -0.45 0.93 -1.40 0.00 0.00 179.01 178.58 2g8i h GLU 154 N 0.55 0.00 -0.51 2.33 5.08 -1.96 -3.17 114.58 116.89 2g8i h GLU 154 Ca 0.40 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.76 2g8i h GLU 154 Cb 0.52 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.77 2g8i h GLU 154 CO -0.34 0.45 0.00 0.25 -1.00 0.00 0.00 179.01 178.37 2g8i n THR 155 N -3.51 0.71 -0.32 1.13 -2.24 -0.94 -4.55 114.28 104.55 2g8i n THR 155 Ca -0.00 -0.85 0.02 0.00 -2.27 0.00 0.00 64.05 60.95 2g8i n THR 155 Cb 0.57 0.79 0.16 0.00 -2.10 0.00 0.00 70.33 69.75 2g8i n THR 155 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2g8i h ALA 156 N 4.25 1.23 0.13 6.98 0.00 -1.30 -1.96 119.26 128.60 2g8i h ALA 156 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2g8i h ALA 156 Cb 0.97 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.54 2g8i h ALA 156 CO 0.00 0.26 -0.06 1.25 0.00 0.00 0.00 179.25 180.69 2g8i h LEU 157 N 0.96 -0.15 -0.89 0.00 5.85 -1.83 -0.63 115.31 118.61 2g8i h LEU 157 Ca 0.40 -0.23 0.02 0.00 0.84 0.00 0.00 57.88 58.90 2g8i h LEU 157 Cb 0.23 0.04 -0.05 0.00 0.37 0.00 0.00 40.66 41.26 2g8i h LEU 157 CO -0.20 0.15 0.59 -0.29 -0.34 0.00 0.00 178.44 178.35 2g8i h ILE 158 N -0.47 1.20 -0.20 4.05 6.09 -1.74 -1.39 117.51 125.05 2g8i h ILE 158 Ca -0.02 -0.40 -0.08 0.00 -1.37 0.00 0.00 64.86 62.98 2g8i h ILE 158 Cb 0.37 -0.08 -0.01 0.00 0.47 0.00 0.00 36.82 37.57 2g8i h ILE 158 CO 0.03 0.22 -0.24 -0.50 -3.07 0.00 0.00 178.15 174.59 2g8i h TRP 159 N 1.18 0.41 -0.24 2.19 4.06 -1.29 -0.30 115.95 121.95 2g8i h TRP 159 Ca 0.34 -0.08 -0.03 0.00 2.06 0.00 0.00 58.89 61.19 2g8i h TRP 159 Cb -0.09 -0.10 -0.01 0.00 -1.00 0.00 0.00 29.16 27.96 2g8i h TRP 159 CO -0.01 0.58 0.05 -0.22 -3.56 0.00 0.00 178.44 175.28 2g8i h LYS 160 N 0.33 0.39 -0.76 0.49 3.64 -0.32 0.21 116.57 120.55 2g8i h LYS 160 Ca 0.05 -0.10 -0.04 0.00 -1.27 0.00 0.00 60.65 59.30 2g8i h LYS 160 Cb 0.60 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.34 2g8i h LYS 160 CO 0.04 0.50 0.33 -0.07 -2.27 0.00 0.00 179.45 177.98 2g8i h LEU 161 N 0.21 1.03 -0.14 5.20 3.38 -0.97 0.88 115.31 124.89 2g8i h LEU 161 Ca 0.07 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 57.87 2g8i h LEU 161 Cb 0.29 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 2g8i h LEU 161 CO 0.00 0.90 0.01 0.58 0.09 0.00 0.00 178.44 180.02 2g8i h VAL 162 N 1.09 1.24 -0.83 1.22 2.07 -0.83 -0.18 116.25 120.03 2g8i h VAL 162 Ca 0.26 -0.78 -0.04 0.00 0.82 0.00 0.00 66.70 66.96 2g8i h VAL 162 Cb 0.18 1.48 -0.04 0.00 -1.52 0.00 0.00 31.29 31.39 2g8i h VAL 162 CO -0.03 0.23 0.37 0.44 0.02 0.00 0.00 177.57 178.61 2g8i h ASP 163 N 0.00 1.10 0.07 0.57 3.32 -0.39 -1.31 116.42 119.78 2g8i h ASP 163 Ca 0.04 -0.15 -0.09 0.00 0.02 0.00 0.00 57.03 56.85 2g8i h ASP 163 Cb 0.34 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.59 2g8i h ASP 163 CO 0.01 0.94 -0.30 -0.33 -1.72 0.00 0.00 179.24 177.84 2g8i h GLU 164 N 1.19 0.35 -0.31 3.56 5.08 -0.70 0.04 114.58 123.78 2g8i h GLU 164 Ca 0.28 -0.14 -0.04 0.00 -1.00 0.00 0.00 59.36 58.47 2g8i h GLU 164 Cb 0.15 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 2g8i h GLU 164 CO -0.03 0.62 0.05 0.00 -1.00 0.00 0.00 179.01 178.65 2g8i h ALA 165 N 1.38 0.41 -0.62 3.43 0.00 -0.50 -1.08 119.26 122.28 2g8i h ALA 165 Ca 0.04 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 2g8i h ALA 165 Cb 0.69 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 2g8i h ALA 165 CO 0.05 0.10 0.35 0.93 0.00 0.00 0.00 179.25 180.68 2g8i h GLU 166 N 0.34 0.86 -0.76 0.00 5.08 -0.93 -1.65 114.58 117.51 2g8i h GLU 166 Ca 0.09 -0.10 0.05 0.00 -1.00 0.00 0.00 59.36 58.41 2g8i h GLU 166 Cb 0.34 -0.17 -0.05 0.00 0.50 0.00 0.00 28.75 29.37 2g8i h GLU 166 CO 0.01 0.64 0.46 1.49 -1.00 0.00 0.00 179.01 180.61 2g8i h GLU 167 N 0.84 0.84 -0.27 2.33 4.57 -0.72 -1.15 114.58 121.02 2g8i h GLU 167 Ca 0.22 -0.05 -0.03 0.00 -1.18 0.00 0.00 59.36 58.32 2g8i h GLU 167 Cb 0.03 -0.19 -0.01 0.00 -0.16 0.00 0.00 28.75 28.42 2g8i h GLU 167 CO -0.04 0.55 0.06 2.35 -1.18 0.00 0.00 179.01 180.75 2g8i h TRP 168 N 0.86 0.47 -0.84 0.92 7.01 -0.78 -2.72 115.95 120.86 2g8i h TRP 168 Ca 0.33 -0.06 0.06 0.00 2.11 0.00 0.00 58.89 61.33 2g8i h TRP 168 Cb 0.13 -0.13 -0.05 0.00 -2.10 0.00 0.00 29.16 27.01 2g8i h TRP 168 CO -0.05 0.53 0.55 -0.07 -2.79 0.00 0.00 178.44 176.61 2g8i h LEU 169 N 0.27 0.83 -0.10 0.65 3.38 -0.74 -1.55 115.31 118.05 2g8i h LEU 169 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 2g8i h LEU 169 Cb 0.30 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.88 2g8i h LEU 169 CO 0.00 0.53 -0.03 0.59 0.09 0.00 0.00 178.44 179.62 2g8i n ASN 170 N -4.48 0.19 0.00 -0.43 4.13 -0.49 -3.60 115.26 110.57 2g8i n ASN 170 Ca 0.13 -0.52 0.00 0.00 1.68 0.00 0.00 54.58 55.87 2g8i n ASN 170 Cb 0.20 -0.14 0.00 0.00 -1.54 0.00 0.00 39.78 38.30 2g8i n ASN 170 CO 0.00 0.00 0.00 0.35 0.28 0.00 0.00 177.26 177.89 2g8i n THR 171 N -1.07 0.66 -4.18 3.41 -2.24 -0.65 -5.06 114.28 105.15 2g8i n THR 171 Ca 0.17 -0.78 -0.11 0.00 -2.27 0.00 0.00 64.05 61.05 2g8i n THR 171 Cb 0.22 0.69 -0.10 0.00 -2.10 0.00 0.00 70.33 69.05 2g8i n THR 171 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 2g8i s HIS 172 N -0.66 0.99 0.26 4.78 3.76 -0.79 -5.06 115.29 118.57 2g8i s HIS 172 Ca 0.00 -1.18 0.12 0.00 -0.15 0.00 0.00 55.06 53.85 2g8i s HIS 172 Cb 0.00 -0.56 -0.05 0.00 1.11 0.00 0.00 32.58 33.08 2g8i s HIS 172 CO 0.00 -0.43 -0.21 0.95 -0.85 0.00 0.00 174.74 174.20 2g8i s THR 173 N -3.93 2.44 -0.17 1.30 -4.23 -1.26 -4.87 115.64 104.92 2g8i s THR 173 Ca 0.25 -2.31 -0.31 0.00 -1.18 0.00 0.00 61.69 58.15 2g8i s THR 173 Cb 0.07 -2.25 0.14 0.00 1.34 0.00 0.00 72.50 71.80 2g8i s THR 173 CO 0.03 -0.32 1.09 -0.72 -0.54 0.00 0.00 174.62 174.16 2g8i s TYR 174 N -2.28 -0.26 -1.03 3.99 -0.85 -1.26 -5.04 117.35 110.62 2g8i s TYR 174 Ca 0.27 0.37 0.08 0.00 -0.52 0.00 0.00 57.07 57.28 2g8i s TYR 174 Cb -0.06 0.48 0.08 0.00 0.38 0.00 0.00 41.96 42.84 2g8i s TYR 174 CO 0.14 -0.28 0.80 0.39 -1.52 0.00 0.00 175.55 175.08 2g8i n GLU 175 N 0.44 0.39 -1.57 -3.49 1.02 -1.26 -5.03 120.64 111.14 2g8i n GLU 175 Ca -0.06 -1.08 -0.55 0.00 -0.02 0.00 0.00 57.16 55.45 2g8i n GLU 175 Cb 0.59 -1.17 -0.08 0.00 -0.02 0.00 0.00 31.44 30.76 2g8i n GLU 175 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 2g8i n THR 176 N 0.46 0.24 -2.29 2.62 -1.04 -1.26 -4.91 114.28 108.10 2g8i n THR 176 Ca 0.05 -0.12 -0.41 0.00 -2.04 0.00 0.00 64.05 61.53 2g8i n THR 176 Cb 0.22 -1.30 -0.03 0.00 -1.82 0.00 0.00 70.33 67.40 2g8i n THR 176 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 2g8i s PRO 177 N 4.76 4.42 -0.36 -2.82 0.02 -1.26 -4.88 135.00 134.88 2g8i s PRO 177 Ca 1.05 1.96 -0.08 0.00 0.02 0.00 0.00 61.00 63.95 2g8i s PRO 177 Cb -1.04 -3.23 0.04 0.00 0.02 0.00 0.00 34.50 30.29 2g8i s PRO 177 CO 0.60 -0.22 0.15 0.42 -0.33 0.00 0.00 177.00 177.62 2g8i s ILE 178 N 0.28 3.99 0.02 2.83 1.01 -1.26 -0.94 121.20 127.13 2g8i s ILE 178 Ca 0.57 -1.13 0.01 0.00 0.00 0.00 0.00 60.65 60.09 2g8i s ILE 178 Cb -0.34 -3.29 -0.04 0.00 0.01 0.00 0.00 42.46 38.80 2g8i s ILE 178 CO 0.36 -0.24 0.07 -0.76 0.00 0.00 0.00 174.94 174.37 2g8i s LEU 179 N 1.43 3.84 -0.23 2.97 1.43 0.74 -4.98 118.68 123.88 2g8i s LEU 179 Ca -0.00 0.09 -0.27 0.00 -1.03 0.00 0.00 54.13 52.92 2g8i s LEU 179 Cb -0.20 -2.31 0.00 0.00 0.03 0.00 0.00 46.19 43.71 2g8i s LEU 179 CO 0.03 0.25 0.94 -0.75 0.23 0.00 0.00 176.35 177.05 2g8i s LYS 180 N -1.89 4.23 -0.16 1.70 2.47 -1.26 -1.69 119.74 123.14 2g8i s LYS 180 Ca 0.24 1.16 -0.29 0.00 -1.56 0.00 0.00 55.97 55.52 2g8i s LYS 180 Cb -0.12 -3.64 -0.02 0.00 -1.46 0.00 0.00 37.83 32.60 2g8i s LYS 180 CO 0.16 -0.56 1.28 -0.46 0.16 0.00 0.00 175.35 175.93 2g8i s TRP 181 N 2.96 2.82 -1.31 4.03 -0.11 -0.01 -4.90 118.94 122.42 2g8i s TRP 181 Ca 0.40 0.98 -0.17 0.00 1.22 0.00 0.00 56.10 58.52 2g8i s TRP 181 Cb -0.15 -3.52 0.03 0.00 -1.50 0.00 0.00 33.47 28.33 2g8i s TRP 181 CO 0.07 -1.78 1.93 1.04 -4.62 0.00 0.00 176.95 173.59 2g8i n GLN 182 N 6.60 2.82 -0.27 5.86 1.13 -1.26 -4.68 117.38 127.58 2g8i n GLN 182 Ca 0.14 -2.88 0.03 0.00 -1.94 0.00 0.00 57.00 52.35 2g8i n GLN 182 Cb 0.45 -3.41 0.17 0.00 0.11 0.00 0.00 30.24 27.55 2g8i n GLN 182 CO 0.00 0.00 0.00 1.15 -1.44 0.00 0.00 177.06 176.77 2g8i h THR 183 N 5.03 0.82 0.00 5.09 2.02 -1.92 0.25 112.91 124.21 2g8i h THR 183 Ca 0.47 -0.22 0.00 0.00 0.77 0.00 0.00 66.41 67.43 2g8i h THR 183 Cb 0.79 0.12 0.00 0.00 -1.74 0.00 0.00 68.15 67.32 2g8i h THR 183 CO 1.61 0.12 0.00 -0.90 0.37 0.00 0.00 175.52 176.72 2g8i n ASP 184 N -4.84 0.56 -0.00 4.18 5.75 -1.26 -0.75 116.55 120.18 2g8i n ASP 184 Ca 0.13 0.74 -0.00 0.00 -0.01 0.00 0.00 54.79 55.66 2g8i n ASP 184 Cb 0.32 -0.82 -0.00 0.00 -1.03 0.00 0.00 41.12 39.59 2g8i n ASP 184 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2g8i n LYS 185 N -2.23 3.39 0.00 0.11 5.02 -0.56 -4.79 118.16 119.09 2g8i n LYS 185 Ca -0.01 0.00 0.08 0.00 -2.02 0.00 0.00 58.31 56.36 2g8i n LYS 185 Cb 0.06 -1.01 0.04 0.00 -0.02 0.00 0.00 35.03 34.10 2g8i n LYS 185 CO 0.00 0.00 0.00 0.91 -0.52 0.00 0.00 177.40 177.79 2g8i n TRP 186 N -2.08 0.00 -2.50 2.13 8.01 0.79 -5.11 117.44 118.68 2g8i n TRP 186 Ca -0.00 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.19 2g8i n TRP 186 Cb 0.51 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.81 2g8i n TRP 186 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 2g8i n GLY 187 N 0.98 -2.07 3.77 6.99 0.00 0.07 -4.92 105.19 110.02 2g8i n GLY 187 Ca 0.08 -1.63 -0.41 0.00 0.00 0.00 0.00 46.02 44.06 2g8i n GLY 187 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2g8i s GLU 188 N -0.10 3.97 0.48 1.61 0.41 -1.26 -4.23 118.70 119.58 2g8i s GLU 188 Ca 0.00 2.50 -0.24 0.00 -0.41 0.00 0.00 54.97 56.82 2g8i s GLU 188 Cb 0.00 -2.86 -0.07 0.00 -1.78 0.00 0.00 34.13 29.42 2g8i s GLU 188 CO 0.00 -0.62 1.38 -1.50 -0.49 0.00 0.00 175.26 174.03 2g8i s ILE 189 N -1.15 2.18 0.44 -1.63 2.07 -1.26 -4.87 121.20 116.98 2g8i s ILE 189 Ca 0.55 0.15 0.37 0.00 -1.41 0.00 0.00 60.65 60.32 2g8i s ILE 189 Cb -0.45 -3.08 0.37 0.00 0.13 0.00 0.00 42.46 39.43 2g8i s ILE 189 CO 0.60 0.01 2.13 0.11 -1.91 0.00 0.00 174.94 175.89 2g8i h LYS 190 N 2.06 0.00 -0.55 3.50 1.79 -1.93 -1.51 116.57 119.93 2g8i h LYS 190 Ca -0.51 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 57.96 2g8i h LYS 190 Cb 1.27 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.92 2g8i h LYS 190 CO 0.60 0.00 0.00 0.00 -1.08 0.00 0.00 179.45 178.97 2g8i n ALA 191 N -1.97 2.41 -1.72 3.86 0.00 -1.26 -4.95 120.51 116.88 2g8i n ALA 191 Ca -0.02 -1.04 -0.38 0.00 0.00 0.00 0.00 53.44 52.00 2g8i n ALA 191 Cb 0.10 -0.94 0.06 0.00 0.00 0.00 0.00 19.45 18.66 2g8i n ALA 191 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2g8i n ASN 192 N 1.32 2.21 -0.03 0.00 5.15 -0.57 -4.49 115.26 118.84 2g8i n ASN 192 Ca 0.20 0.89 -0.06 0.00 -0.60 0.00 0.00 54.58 55.02 2g8i n ASN 192 Cb 0.54 -1.55 -0.03 0.00 -0.53 0.00 0.00 39.78 38.21 2g8i n ASN 192 CO 0.00 0.00 0.00 -1.22 1.40 0.00 0.00 177.26 177.44 2g8i n TYR 193 N -1.51 0.00 -0.64 1.20 4.02 -1.26 -5.08 117.16 113.89 2g8i n TYR 193 Ca 0.13 0.00 -0.31 0.00 -0.01 0.00 0.00 57.90 57.72 2g8i n TYR 193 Cb 0.46 -0.24 0.19 0.00 -0.02 0.00 0.00 39.34 39.73 2g8i n TYR 193 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2g8i n GLY 194 N 2.84 -1.42 0.00 2.72 0.00 -1.26 -5.10 105.19 102.96 2g8i n GLY 194 Ca -0.12 -0.86 0.07 0.00 0.00 0.00 0.00 46.02 45.11 2g8i n GLY 194 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19