#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sxg s LYS 59 N 0.00 4.51 0.38 1.64 2.36 -1.26 -4.96 119.74 122.41 1sxg s LYS 59 Ca 0.00 1.80 -0.27 0.00 -2.55 0.00 0.00 55.97 54.95 1sxg s LYS 59 Cb 0.00 -3.28 -0.11 0.00 -1.05 0.00 0.00 37.83 33.39 1sxg s LYS 59 CO 0.00 -0.08 1.22 2.41 1.55 0.00 0.00 175.35 180.45 1sxg n THR 60 N 2.83 2.27 -4.34 3.43 -1.04 -1.26 -4.99 114.28 111.18 1sxg n THR 60 Ca 0.05 -0.50 -0.34 0.00 -2.04 0.00 0.00 64.05 61.22 1sxg n THR 60 Cb 0.46 -1.46 -0.09 0.00 -1.82 0.00 0.00 70.33 67.41 1sxg n THR 60 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 1sxg s THR 61 N -1.16 4.24 -0.05 12.58 2.01 -1.26 -5.04 115.64 126.96 1sxg s THR 61 Ca 0.59 -0.40 -0.00 0.00 0.31 0.00 0.00 61.69 62.19 1sxg s THR 61 Cb -0.55 -2.83 0.03 0.00 0.01 0.00 0.00 72.50 69.15 1sxg s THR 61 CO 0.60 0.51 -0.01 0.28 -0.69 0.00 0.00 174.62 175.31 1sxg s THR 62 N -0.97 0.35 -0.05 -0.82 -1.32 -1.26 -0.49 115.64 111.07 1sxg s THR 62 Ca 0.16 0.05 0.02 0.00 -1.21 0.00 0.00 61.69 60.71 1sxg s THR 62 Cb -0.11 -0.45 -0.03 0.00 -1.51 0.00 0.00 72.50 70.39 1sxg s THR 62 CO 0.06 0.21 -0.07 0.54 -2.21 0.00 0.00 174.62 173.15 1sxg s VAL 63 N 1.39 3.65 -0.05 5.08 0.11 0.73 -0.94 120.40 130.38 1sxg s VAL 63 Ca -0.04 -0.57 -0.02 0.00 -2.93 0.00 0.00 61.98 58.42 1sxg s VAL 63 Cb -0.13 -2.51 -0.04 0.00 -1.53 0.00 0.00 36.38 32.17 1sxg s VAL 63 CO -0.03 0.55 0.06 -0.83 -3.33 0.00 0.00 175.10 171.52 1sxg s GLY 64 N -0.96 1.97 -0.05 6.54 0.00 -0.43 -2.54 107.32 111.85 1sxg s GLY 64 Ca 0.14 -0.82 0.05 0.00 0.00 0.00 0.00 44.72 44.09 1sxg s GLY 64 CO 0.03 -0.63 -0.20 0.54 0.00 0.00 0.00 173.10 172.84 1sxg s VAL 65 N -1.05 2.51 -0.35 1.40 0.11 0.16 -2.53 120.40 120.66 1sxg s VAL 65 Ca 0.18 -0.92 -0.05 0.00 -2.93 0.00 0.00 61.98 58.26 1sxg s VAL 65 Cb -0.12 -1.95 0.05 0.00 -1.53 0.00 0.00 36.38 32.84 1sxg s VAL 65 CO 0.08 0.58 0.11 -0.63 -3.33 0.00 0.00 175.10 171.90 1sxg s ILE 66 N -0.43 3.64 -0.03 7.04 1.01 -0.68 -2.21 121.20 129.54 1sxg s ILE 66 Ca 0.05 -1.29 -0.01 0.00 0.00 0.00 0.00 60.65 59.39 1sxg s ILE 66 Cb -0.12 -3.12 -0.04 0.00 0.01 0.00 0.00 42.46 39.19 1sxg s ILE 66 CO 0.02 -0.24 0.07 0.27 0.00 0.00 0.00 174.94 175.05 1sxg s ILE 67 N 1.35 4.74 -0.01 2.92 -0.00 -1.05 -1.31 121.20 127.84 1sxg s ILE 67 Ca -0.01 -0.30 0.19 0.00 -0.00 0.00 0.00 60.65 60.53 1sxg s ILE 67 Cb -0.20 -3.12 0.15 0.00 -0.00 0.00 0.00 42.46 39.28 1sxg s ILE 67 CO 0.01 0.43 1.63 1.55 -0.00 0.00 0.00 174.94 178.57 1sxg h PRO 68 N 4.41 0.00 -1.38 0.37 0.13 -1.85 -3.10 132.00 130.58 1sxg h PRO 68 Ca -0.50 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.51 1sxg h PRO 68 Cb 1.19 0.00 -0.25 0.00 0.13 0.00 0.00 31.00 32.07 1sxg h PRO 68 CO 0.60 0.36 -0.49 0.34 -0.23 0.00 0.00 178.00 178.59 1sxg s ASP 69 N -6.36 -0.52 0.44 1.44 2.15 -1.26 -1.58 116.67 110.99 1sxg s ASP 69 Ca 0.02 -0.45 0.23 0.00 0.43 0.00 0.00 52.55 52.78 1sxg s ASP 69 Cb 0.09 1.49 1.24 0.00 -0.30 0.00 0.00 42.92 45.44 1sxg s ASP 69 CO 0.69 -0.29 1.66 -0.29 -0.17 0.00 0.00 175.17 176.78 1sxg h ILE 70 N 5.73 0.00 0.00 4.11 2.10 -1.95 0.11 117.51 127.61 1sxg h ILE 70 Ca -0.02 0.00 -0.01 0.00 1.08 0.00 0.00 64.86 65.91 1sxg h ILE 70 Cb 1.14 0.51 -0.00 0.00 -1.09 0.00 0.00 36.82 37.38 1sxg h ILE 70 CO 0.19 0.00 -0.19 0.28 -1.08 0.00 0.00 178.15 177.34 1sxg h SER 71 N 0.00 0.00 -3.08 2.19 0.02 -2.00 -3.44 113.55 107.24 1sxg h SER 71 Ca 0.00 0.00 -0.56 0.00 -0.84 0.00 0.00 61.79 60.39 1sxg h SER 71 Cb 0.38 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.89 1sxg h SER 71 CO 0.00 0.06 0.72 0.21 -1.14 0.00 0.00 176.83 176.68 1sxg s ASN 72 N -6.12 7.06 0.26 3.07 3.04 0.37 -4.94 114.94 117.68 1sxg s ASN 72 Ca 0.06 1.72 -0.03 0.00 0.04 0.00 0.00 52.86 54.65 1sxg s ASN 72 Cb 0.06 -2.55 0.44 0.00 -1.54 0.00 0.00 41.25 37.66 1sxg s ASN 72 CO 0.69 -0.60 1.82 0.40 -3.04 0.00 0.00 177.10 176.37 1sxg h ILE 73 N 5.14 0.93 0.52 -5.21 1.08 -1.87 -2.37 117.51 115.73 1sxg h ILE 73 Ca -0.31 -0.30 -0.02 0.00 -0.39 0.00 0.00 64.86 63.83 1sxg h ILE 73 Cb 1.14 -0.03 0.00 0.00 -3.07 0.00 0.00 36.82 34.87 1sxg h ILE 73 CO 0.90 0.16 -0.25 0.15 -0.69 0.00 0.00 178.15 178.42 1sxg h PHE 74 N 0.88 -0.66 -0.34 1.37 3.04 -1.94 0.18 116.94 119.46 1sxg h PHE 74 Ca 0.43 -0.01 -0.01 0.00 3.98 0.00 0.00 57.97 62.35 1sxg h PHE 74 Cb 0.38 0.22 -0.02 0.00 2.56 0.00 0.00 35.95 39.09 1sxg h PHE 74 CO -0.04 -0.41 0.17 1.88 -2.02 0.00 0.00 178.31 177.89 1sxg h TYR 75 N -0.70 0.45 0.03 0.41 0.05 -1.84 0.31 116.97 115.69 1sxg h TYR 75 Ca -0.07 -0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.71 1sxg h TYR 75 Cb 0.54 -0.15 0.00 0.00 1.01 0.00 0.00 36.73 38.13 1sxg h TYR 75 CO -0.04 0.34 -0.02 0.00 -1.05 0.00 0.00 178.16 177.39 1sxg h ALA 76 N 1.72 -0.05 -0.51 3.88 0.00 -1.22 0.39 119.26 123.47 1sxg h ALA 76 Ca 0.12 -0.25 0.07 0.00 0.00 0.00 0.00 54.91 54.85 1sxg h ALA 76 Cb 0.04 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 17.79 1sxg h ALA 76 CO -0.02 -0.27 0.19 1.49 0.00 0.00 0.00 179.25 180.65 1sxg h GLU 77 N -0.57 0.37 0.90 0.00 4.81 -0.27 0.32 114.58 120.16 1sxg h GLU 77 Ca -0.00 -0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.16 1sxg h GLU 77 Cb 0.52 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.82 1sxg h GLU 77 CO 0.01 0.24 -0.49 1.25 -0.73 0.00 0.00 179.01 179.29 1sxg h LEU 78 N 0.38 -1.21 -0.83 1.64 6.46 -0.34 -2.12 115.31 119.29 1sxg h LEU 78 Ca 0.24 0.06 0.19 0.00 -0.12 0.00 0.00 57.88 58.25 1sxg h LEU 78 Cb 0.25 0.33 -0.15 0.00 -0.73 0.00 0.00 40.66 40.37 1sxg h LEU 78 CO -0.24 -0.79 -0.03 0.00 -0.62 0.00 0.00 178.44 176.76 1sxg h ALA 79 N -1.26 0.84 -0.59 1.25 0.00 -0.37 0.29 119.26 119.42 1sxg h ALA 79 Ca -0.12 0.28 0.12 0.00 0.00 0.00 0.00 54.91 55.19 1sxg h ALA 79 Cb 1.01 0.50 -0.10 0.00 0.00 0.00 0.00 17.79 19.20 1sxg h ALA 79 CO 0.16 -0.45 0.00 -0.09 0.00 0.00 0.00 179.25 178.88 1sxg h ARG 80 N 0.07 0.12 -0.26 0.00 9.65 -0.05 0.73 114.38 124.63 1sxg h ARG 80 Ca 0.46 -0.01 -0.07 0.00 -1.10 0.00 0.00 59.98 59.26 1sxg h ARG 80 Cb 0.83 -0.03 -0.01 0.00 -1.39 0.00 0.00 29.97 29.36 1sxg h ARG 80 CO -0.76 0.08 -0.14 0.78 2.80 0.00 0.00 179.97 182.72 1sxg h GLY 81 N 0.12 0.48 0.99 2.80 0.00 0.20 -2.81 103.07 104.86 1sxg h GLY 81 Ca 0.30 -0.34 0.00 0.00 0.00 0.00 0.00 47.33 47.30 1sxg h GLY 81 CO -0.50 0.31 0.17 -2.22 0.00 0.00 0.00 176.54 174.31 1sxg h ILE 82 N 0.41 1.08 0.00 2.60 1.08 0.24 -1.91 117.51 121.02 1sxg h ILE 82 Ca 0.08 -0.18 -0.04 0.00 -0.39 0.00 0.00 64.86 64.33 1sxg h ILE 82 Cb 0.50 0.71 -0.01 0.00 -3.07 0.00 0.00 36.82 34.96 1sxg h ILE 82 CO 0.03 0.08 -0.19 1.05 -0.69 0.00 0.00 178.15 178.43 1sxg h GLU 83 N 0.36 0.00 -0.22 2.37 4.11 -1.12 0.06 114.58 120.14 1sxg h GLU 83 Ca 0.10 0.00 -0.12 0.00 0.07 0.00 0.00 59.36 59.41 1sxg h GLU 83 Cb -0.02 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.23 1sxg h GLU 83 CO -0.02 0.19 -0.33 -0.44 0.07 0.00 0.00 179.01 178.48 1sxg h ASP 84 N 0.00 0.68 -0.10 3.06 5.19 -1.22 -2.44 116.42 121.59 1sxg h ASP 84 Ca -0.00 -0.52 0.01 0.00 -0.62 0.00 0.00 57.03 55.90 1sxg h ASP 84 Cb 0.62 -0.19 -0.01 0.00 0.18 0.00 0.00 39.33 39.93 1sxg h ASP 84 CO 0.03 1.06 0.05 0.40 -3.12 0.00 0.00 179.24 177.65 1sxg h ILE 85 N 0.31 1.00 -0.99 0.35 1.08 -0.82 -2.72 117.51 115.72 1sxg h ILE 85 Ca 0.02 -0.03 0.24 0.00 -0.39 0.00 0.00 64.86 64.70 1sxg h ILE 85 Cb 0.92 0.89 -0.12 0.00 -3.07 0.00 0.00 36.82 35.43 1sxg h ILE 85 CO 0.08 0.02 0.56 0.00 -0.69 0.00 0.00 178.15 178.12 1sxg h ALA 86 N 1.05 1.73 0.00 1.87 0.00 -0.82 0.73 119.26 123.82 1sxg h ALA 86 Ca 0.04 0.13 -0.11 0.00 0.00 0.00 0.00 54.91 54.97 1sxg h ALA 86 Cb 0.01 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1sxg h ALA 86 CO -0.03 -0.28 -0.51 1.79 0.00 0.00 0.00 179.25 180.22 1sxg h THR 87 N 0.55 1.20 0.00 0.00 1.35 -1.12 0.48 112.91 115.37 1sxg h THR 87 Ca 0.63 -1.87 -0.04 0.00 -0.55 0.00 0.00 66.41 64.58 1sxg h THR 87 Cb 1.19 2.06 -0.01 0.00 -1.73 0.00 0.00 68.15 69.67 1sxg h THR 87 CO -0.48 0.50 -0.18 -0.03 -0.25 0.00 0.00 175.52 175.08 1sxg h MET 88 N 0.00 0.00 -0.19 4.72 -1.53 -0.76 -2.30 114.93 114.87 1sxg h MET 88 Ca -0.01 0.00 0.00 0.00 -3.44 0.00 0.00 59.70 56.25 1sxg h MET 88 Cb 1.02 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 32.07 1sxg h MET 88 CO 0.07 0.18 0.00 0.66 0.14 0.00 0.00 176.91 177.96 1sxg n TYR 89 N -3.39 0.22 -2.22 1.39 4.01 -0.71 -4.98 117.16 111.50 1sxg n TYR 89 Ca -0.00 -0.14 -0.18 0.00 -0.16 0.00 0.00 57.90 57.42 1sxg n TYR 89 Cb 0.38 -0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.38 1sxg n TYR 89 CO 0.00 0.00 0.00 0.36 -0.46 0.00 0.00 176.86 176.76 1sxg n LYS 90 N 1.14 -1.75 -3.37 -0.72 -0.00 0.11 -4.99 118.16 108.58 1sxg n LYS 90 Ca 0.14 0.93 -0.26 0.00 -0.00 0.00 0.00 58.31 59.12 1sxg n LYS 90 Cb 0.50 -5.51 -0.02 0.00 -0.00 0.00 0.00 35.03 30.01 1sxg n LYS 90 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.40 178.11 1sxg s TYR 91 N -2.83 3.50 0.05 5.58 2.02 0.13 -4.58 117.35 121.21 1sxg s TYR 91 Ca 0.00 0.44 -0.01 0.00 -0.37 0.00 0.00 57.07 57.14 1sxg s TYR 91 Cb 0.00 -1.96 -0.04 0.00 -0.40 0.00 0.00 41.96 39.56 1sxg s TYR 91 CO 0.00 0.15 0.20 -0.80 -1.57 0.00 0.00 175.55 173.53 1sxg s ASN 92 N -3.72 6.35 0.03 2.29 -0.87 0.35 -4.32 114.94 115.07 1sxg s ASN 92 Ca 0.41 0.28 0.08 0.00 -1.57 0.00 0.00 52.86 52.07 1sxg s ASN 92 Cb -0.10 -1.96 -0.03 0.00 -0.02 0.00 0.00 41.25 39.14 1sxg s ASN 92 CO 0.34 0.19 -0.24 -0.51 -2.57 0.00 0.00 177.10 174.31 1sxg s ILE 93 N -1.47 1.90 -0.11 0.60 2.07 -1.26 -0.19 121.20 122.75 1sxg s ILE 93 Ca 0.33 -1.25 -0.01 0.00 -1.41 0.00 0.00 60.65 58.31 1sxg s ILE 93 Cb -0.13 -1.63 0.03 0.00 0.13 0.00 0.00 42.46 40.86 1sxg s ILE 93 CO 0.26 0.33 -0.02 -0.63 -1.91 0.00 0.00 174.94 172.97 1sxg s ILE 94 N -0.76 0.64 -0.15 2.00 1.01 -1.05 -5.00 121.20 117.88 1sxg s ILE 94 Ca 0.10 -0.16 -0.08 0.00 0.00 0.00 0.00 60.65 60.51 1sxg s ILE 94 Cb -0.09 -0.81 -0.04 0.00 0.01 0.00 0.00 42.46 41.52 1sxg s ILE 94 CO 0.01 0.21 0.13 -0.76 0.00 0.00 0.00 174.94 174.53 1sxg s LEU 95 N 1.85 4.28 0.02 2.97 1.02 -1.26 0.37 118.68 127.93 1sxg s LEU 95 Ca 0.04 0.35 0.02 0.00 0.02 0.00 0.00 54.13 54.56 1sxg s LEU 95 Cb -0.13 -2.07 -0.02 0.00 0.02 0.00 0.00 46.19 43.99 1sxg s LEU 95 CO -0.07 0.31 -0.08 -0.94 0.02 0.00 0.00 176.35 175.60 1sxg s SER 96 N -0.43 0.88 0.10 2.29 1.04 -0.94 -4.98 113.70 111.67 1sxg s SER 96 Ca 0.12 -0.36 -0.15 0.00 0.48 0.00 0.00 55.95 56.04 1sxg s SER 96 Cb -0.12 -0.03 -0.07 0.00 0.10 0.00 0.00 66.02 65.91 1sxg s SER 96 CO 0.01 -0.06 0.52 0.21 0.98 0.00 0.00 173.24 174.90 1sxg s ASN 97 N -0.94 6.87 0.00 7.02 2.47 -1.26 -2.54 114.94 126.56 1sxg s ASN 97 Ca -0.04 1.09 0.00 0.00 0.42 0.00 0.00 52.86 54.33 1sxg s ASN 97 Cb -0.07 -2.29 0.00 0.00 -1.45 0.00 0.00 41.25 37.44 1sxg s ASN 97 CO 0.00 0.19 0.04 -1.54 -3.72 0.00 0.00 177.10 172.07 1sxg n SER 98 N 1.20 0.07 -2.09 -4.21 3.41 -1.17 -4.94 113.62 105.89 1sxg n SER 98 Ca -0.08 -0.54 -0.18 0.00 -0.26 0.00 0.00 58.87 57.81 1sxg n SER 98 Cb 0.52 0.92 -0.03 0.00 -0.26 0.00 0.00 64.21 65.36 1sxg n SER 98 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1sxg n ASP 99 N -0.92 -5.04 -2.75 4.04 8.00 -0.61 -1.25 116.55 118.01 1sxg n ASP 99 Ca 0.00 0.20 -0.21 0.00 0.71 0.00 0.00 54.79 55.49 1sxg n ASP 99 Cb 0.00 -4.32 0.03 0.00 -0.02 0.00 0.00 41.12 36.80 1sxg n ASP 99 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1sxg n GLN 100 N -2.67 -4.11 -3.81 -1.24 6.02 -1.10 -4.97 117.38 105.51 1sxg n GLN 100 Ca -0.20 0.89 -0.36 0.00 -0.01 0.00 0.00 57.00 57.31 1sxg n GLN 100 Cb 0.63 -5.62 -0.13 0.00 1.02 0.00 0.00 30.24 26.14 1sxg n GLN 100 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 1sxg s ASN 101 N -2.61 4.85 0.44 1.08 2.47 -0.38 -5.00 114.94 115.80 1sxg s ASN 101 Ca 0.24 -0.36 0.21 0.00 0.42 0.00 0.00 52.86 53.36 1sxg s ASN 101 Cb -0.10 -1.85 1.19 0.00 -1.45 0.00 0.00 41.25 39.03 1sxg s ASN 101 CO 0.29 -0.06 1.84 -0.61 -3.72 0.00 0.00 177.10 174.85 1sxg h GLN 102 N 8.20 0.30 -0.01 0.43 4.15 -1.93 -0.73 115.11 125.52 1sxg h GLN 102 Ca -0.38 -0.02 -0.24 0.00 0.77 0.00 0.00 58.65 58.78 1sxg h GLN 102 Cb 1.16 -0.07 0.02 0.00 0.21 0.00 0.00 27.48 28.80 1sxg h GLN 102 CO 0.59 0.20 -0.94 -0.44 -1.93 0.00 0.00 178.83 176.31 1sxg h ASP 103 N 0.31 0.83 -0.24 -0.69 3.45 -1.94 -2.94 116.42 115.20 1sxg h ASP 103 Ca 0.49 -0.74 -0.04 0.00 0.43 0.00 0.00 57.03 57.17 1sxg h ASP 103 Cb 1.38 -0.25 -0.01 0.00 -0.56 0.00 0.00 39.33 39.89 1sxg h ASP 103 CO -0.16 1.46 0.01 0.11 -1.57 0.00 0.00 179.24 179.09 1sxg h LYS 104 N 0.29 0.42 -0.84 3.56 1.79 -1.47 1.12 116.57 121.44 1sxg h LYS 104 Ca -0.12 -0.13 0.05 0.00 -2.18 0.00 0.00 60.65 58.27 1sxg h LYS 104 Cb 1.60 -0.04 -0.06 0.00 -1.58 0.00 0.00 32.23 32.16 1sxg h LYS 104 CO 0.18 0.59 0.52 0.93 -1.08 0.00 0.00 179.45 180.60 1sxg h GLU 105 N 0.20 0.95 -0.22 3.15 5.08 -1.31 1.08 114.58 123.51 1sxg h GLU 105 Ca 0.07 -0.06 -0.19 0.00 -1.00 0.00 0.00 59.36 58.18 1sxg h GLU 105 Cb 0.40 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.44 1sxg h GLU 105 CO 0.01 0.63 -0.60 1.25 -1.00 0.00 0.00 179.01 179.30 1sxg h LEU 106 N 0.98 0.90 0.38 1.33 7.12 -1.32 0.33 115.31 125.02 1sxg h LEU 106 Ca 0.35 -0.57 -0.02 0.00 0.13 0.00 0.00 57.88 57.77 1sxg h LEU 106 Cb 0.11 -0.26 0.00 0.00 -0.53 0.00 0.00 40.66 39.98 1sxg h LEU 106 CO -0.15 1.32 -0.18 -0.74 -0.13 0.00 0.00 178.44 178.56 1sxg h HIS 107 N 0.53 -0.47 -0.80 1.25 2.76 0.23 -2.47 115.15 116.18 1sxg h HIS 107 Ca -0.01 -0.01 0.08 0.00 -2.20 0.00 0.00 60.37 58.23 1sxg h HIS 107 Cb 1.21 0.16 -0.07 0.00 1.55 0.00 0.00 27.41 30.26 1sxg h HIS 107 CO 0.08 -0.22 0.46 -0.07 -1.30 0.00 0.00 177.93 176.89 1sxg h LEU 108 N -0.63 0.68 -0.96 0.26 3.38 0.12 1.07 115.31 119.23 1sxg h LEU 108 Ca -0.05 0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1sxg h LEU 108 Cb 0.46 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.11 1sxg h LEU 108 CO 0.08 0.41 0.00 0.25 0.09 0.00 0.00 178.44 179.27 1sxg h LEU 109 N 0.81 0.00 0.00 1.67 5.85 -0.76 0.89 115.31 123.77 1sxg h LEU 109 Ca 0.37 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 59.07 1sxg h LEU 109 Cb 0.29 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.31 1sxg h LEU 109 CO -0.22 0.00 -1.52 0.59 -0.34 0.00 0.00 178.44 176.95 1sxg n ASN 110 N -2.30 2.55 0.07 1.25 5.03 -0.38 -4.53 115.26 116.95 1sxg n ASN 110 Ca 0.01 0.00 0.11 0.00 0.87 0.00 0.00 54.58 55.57 1sxg n ASN 110 Cb 0.18 1.39 -0.05 0.00 -1.02 0.00 0.00 39.78 40.29 1sxg n ASN 110 CO 0.00 0.00 0.00 -3.20 -1.83 0.00 0.00 177.26 172.23 1sxg n ASN 111 N -1.94 0.64 0.10 6.41 5.15 0.36 -3.73 115.26 122.25 1sxg n ASN 111 Ca -0.04 0.25 -0.12 0.00 -0.60 0.00 0.00 54.58 54.07 1sxg n ASN 111 Cb 0.35 0.81 -0.08 0.00 -0.53 0.00 0.00 39.78 40.34 1sxg n ASN 111 CO 0.00 0.00 0.00 0.24 1.40 0.00 0.00 177.26 178.90 1sxg h MET 112 N 0.00 -0.30 -0.77 1.20 2.86 0.60 0.01 114.93 118.54 1sxg h MET 112 Ca -0.01 0.02 0.12 0.00 -2.06 0.00 0.00 59.70 57.77 1sxg h MET 112 Cb 1.03 0.07 -0.05 0.00 0.06 0.00 0.00 31.60 32.71 1sxg h MET 112 CO 0.00 0.08 0.51 1.37 1.06 0.00 0.00 176.91 179.92 1sxg h LEU 113 N -0.79 0.53 0.92 1.22 -0.00 -1.79 -1.21 115.31 114.20 1sxg h LEU 113 Ca -0.03 0.02 -0.04 0.00 -0.00 0.00 0.00 57.88 57.82 1sxg h LEU 113 Cb 0.51 -0.09 0.01 0.00 -0.00 0.00 0.00 40.66 41.09 1sxg h LEU 113 CO 0.05 0.30 -0.44 1.23 -0.00 0.00 0.00 178.44 179.58 1sxg h GLY 114 N 0.58 -1.28 -1.88 0.17 0.00 -1.60 -2.38 103.07 96.68 1sxg h GLY 114 Ca 0.37 0.48 0.00 0.00 0.00 0.00 0.00 47.33 48.17 1sxg h GLY 114 CO -0.14 -0.47 0.00 0.58 0.00 0.00 0.00 176.54 176.52 1sxg n LYS 115 N -5.56 0.51 -2.66 4.80 2.85 -0.03 -4.79 118.16 113.28 1sxg n LYS 115 Ca -0.15 0.00 -0.05 0.00 -1.05 0.00 0.00 58.31 57.06 1sxg n LYS 115 Cb 0.48 -1.25 -0.04 0.00 -0.65 0.00 0.00 35.03 33.58 1sxg n LYS 115 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 177.40 178.39 1sxg n GLN 116 N 0.68 -4.22 -3.81 -1.58 1.13 -0.82 -5.02 117.38 103.74 1sxg n GLN 116 Ca 0.00 3.22 -0.12 0.00 -1.94 0.00 0.00 57.00 58.16 1sxg n GLN 116 Cb 0.24 -4.86 -0.10 0.00 0.11 0.00 0.00 30.24 25.63 1sxg n GLN 116 CO 0.00 0.00 0.00 0.14 -1.44 0.00 0.00 177.06 175.76 1sxg s VAL 117 N -0.80 0.05 -0.19 5.09 -7.23 -1.21 -4.91 120.40 111.20 1sxg s VAL 117 Ca -0.23 -0.40 0.21 0.00 -1.81 0.00 0.00 61.98 59.76 1sxg s VAL 117 Cb 0.02 -0.46 -0.07 0.00 0.56 0.00 0.00 36.38 36.43 1sxg s VAL 117 CO 0.75 -0.22 0.93 0.47 -0.31 0.00 0.00 175.10 176.72 1sxg n ASP 118 N 1.90 0.75 -3.79 4.85 9.92 -0.11 -4.68 116.55 125.38 1sxg n ASP 118 Ca -0.19 0.30 -0.07 0.00 -0.53 0.00 0.00 54.79 54.30 1sxg n ASP 118 Cb 0.57 0.57 -0.02 0.00 -0.64 0.00 0.00 41.12 41.59 1sxg n ASP 118 CO 0.00 0.00 0.00 -0.83 0.13 0.00 0.00 177.20 176.50 1sxg s GLY 119 N -4.47 -0.17 -0.08 0.44 0.00 -1.25 -3.96 107.32 97.82 1sxg s GLY 119 Ca -0.02 -0.13 -0.04 0.00 0.00 0.00 0.00 44.72 44.54 1sxg s GLY 119 CO 0.81 -0.04 0.18 -0.42 0.00 0.00 0.00 173.10 173.62 1sxg s ILE 120 N -3.76 -0.05 -0.31 0.90 1.01 -0.21 -1.31 121.20 117.46 1sxg s ILE 120 Ca 0.10 0.18 -0.13 0.00 0.00 0.00 0.00 60.65 60.80 1sxg s ILE 120 Cb -0.05 -0.29 -0.03 0.00 0.01 0.00 0.00 42.46 42.11 1sxg s ILE 120 CO 0.04 0.07 0.25 -0.63 0.00 0.00 0.00 174.94 174.68 1sxg s ILE 121 N 1.24 5.27 -0.12 2.92 1.09 -1.05 -0.94 121.20 129.60 1sxg s ILE 121 Ca -0.09 0.03 -0.03 0.00 -1.10 0.00 0.00 60.65 59.46 1sxg s ILE 121 Cb -0.11 -3.67 -0.03 0.00 -1.06 0.00 0.00 42.46 37.59 1sxg s ILE 121 CO -0.07 0.08 -0.01 0.12 -0.10 0.00 0.00 174.94 174.96 1sxg s PHE 122 N 1.81 3.10 -0.08 3.97 5.99 -0.51 -1.68 117.98 130.58 1sxg s PHE 122 Ca 0.08 -0.01 0.03 0.00 0.00 0.00 0.00 56.93 57.03 1sxg s PHE 122 Cb -0.17 -1.87 0.01 0.00 0.00 0.00 0.00 43.02 41.00 1sxg s PHE 122 CO 0.11 0.25 -0.15 -1.64 -0.00 0.00 0.00 175.22 173.78 1sxg s MET 123 N -0.32 2.07 0.05 10.12 -1.94 -0.43 -1.46 119.30 127.38 1sxg s MET 123 Ca 0.06 -0.54 0.00 0.00 -1.71 0.00 0.00 55.69 53.51 1sxg s MET 123 Cb -0.12 -1.66 0.00 0.00 2.01 0.00 0.00 34.83 35.06 1sxg s MET 123 CO 0.02 0.05 0.00 0.45 -0.01 0.00 0.00 175.02 175.54 1sxg n SER 124 N 3.78 0.15 0.00 3.03 2.88 -1.26 -3.87 113.62 118.33 1sxg n SER 124 Ca -0.22 0.07 0.00 0.00 -1.33 0.00 0.00 58.87 57.40 1sxg n SER 124 Cb 0.52 -0.01 0.00 0.00 -0.75 0.00 0.00 64.21 63.97 1sxg n SER 124 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1sxg n GLY 125 N 2.70 1.73 2.83 0.46 0.00 -1.26 -4.74 105.19 106.91 1sxg n GLY 125 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 1sxg n GLY 125 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1sxg s ASN 126 N -1.83 -1.08 -0.81 1.61 3.84 -1.26 -4.39 114.94 111.02 1sxg s ASN 126 Ca 0.00 -1.06 -0.18 0.00 0.21 0.00 0.00 52.86 51.83 1sxg s ASN 126 Cb 0.00 1.41 0.14 0.00 -0.55 0.00 0.00 41.25 42.25 1sxg s ASN 126 CO 0.00 -0.06 0.93 -0.69 -2.79 0.00 0.00 177.10 174.49 1sxg s VAL 127 N 1.21 4.93 0.99 -5.21 1.01 -1.26 -5.02 120.40 117.06 1sxg s VAL 127 Ca 0.24 -1.57 -0.14 0.00 0.00 0.00 0.00 61.98 60.51 1sxg s VAL 127 Cb 0.02 -4.63 0.19 0.00 0.00 0.00 0.00 36.38 31.96 1sxg s VAL 127 CO -0.08 -1.30 1.13 0.42 0.00 0.00 0.00 175.10 175.27 1sxg s THR 128 N 2.18 1.94 0.32 3.92 -4.23 -1.26 -4.67 115.64 113.84 1sxg s THR 128 Ca 0.23 0.00 0.03 0.00 -1.18 0.00 0.00 61.69 60.77 1sxg s THR 128 Cb -0.11 -2.64 0.29 0.00 1.34 0.00 0.00 72.50 71.37 1sxg s THR 128 CO -0.04 0.00 1.92 1.05 -0.54 0.00 0.00 174.62 177.01 1sxg h GLU 129 N -1.83 0.89 -0.02 3.99 9.09 -2.00 -0.24 114.58 124.46 1sxg h GLU 129 Ca -0.51 -0.05 -0.00 0.00 0.05 0.00 0.00 59.36 58.85 1sxg h GLU 129 Cb 1.32 -0.20 -0.00 0.00 -1.65 0.00 0.00 28.75 28.22 1sxg h GLU 129 CO 0.55 0.59 0.00 1.49 0.05 0.00 0.00 179.01 181.69 1sxg h GLU 130 N 0.92 0.03 -0.08 1.06 4.81 -1.99 -2.51 114.58 116.82 1sxg h GLU 130 Ca 0.37 -0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.61 1sxg h GLU 130 Cb 0.27 -0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.62 1sxg h GLU 130 CO -0.14 0.29 -0.20 0.45 -0.73 0.00 0.00 179.01 178.68 1sxg h HIS 131 N -0.23 -0.61 -0.57 0.92 3.86 -1.45 -0.62 115.15 116.45 1sxg h HIS 131 Ca 0.01 0.03 0.11 0.00 -1.16 0.00 0.00 60.37 59.35 1sxg h HIS 131 Cb 0.28 0.28 -0.09 0.00 1.06 0.00 0.00 27.41 28.94 1sxg h HIS 131 CO 0.02 -0.20 0.05 -0.24 0.86 0.00 0.00 177.93 178.42 1sxg h VAL 132 N -0.20 0.59 -0.09 2.45 3.04 -1.20 1.32 116.25 122.17 1sxg h VAL 132 Ca 0.02 -0.06 -0.03 0.00 -1.01 0.00 0.00 66.70 65.62 1sxg h VAL 132 Cb 0.24 0.40 -0.01 0.00 -2.01 0.00 0.00 31.29 29.92 1sxg h VAL 132 CO -0.18 0.03 -0.07 -0.33 -1.01 0.00 0.00 177.57 176.01 1sxg h GLU 133 N 0.17 0.13 0.20 4.17 4.39 -1.27 -1.71 114.58 120.66 1sxg h GLU 133 Ca 0.29 -0.02 -0.33 0.00 0.34 0.00 0.00 59.36 59.65 1sxg h GLU 133 Cb 0.45 -0.02 0.02 0.00 -0.10 0.00 0.00 28.75 29.10 1sxg h GLU 133 CO -0.44 0.21 -1.53 0.93 -1.16 0.00 0.00 179.01 177.03 1sxg h GLU 134 N 0.13 0.42 -0.49 2.33 4.39 0.63 -3.33 114.58 118.65 1sxg h GLU 134 Ca 0.03 -0.72 0.09 0.00 0.34 0.00 0.00 59.36 59.10 1sxg h GLU 134 Cb 0.22 0.27 -0.08 0.00 -0.10 0.00 0.00 28.75 29.06 1sxg h GLU 134 CO 0.01 1.33 0.00 1.25 -1.16 0.00 0.00 179.01 180.45 1sxg h LEU 135 N 0.12 -0.20 -0.11 1.33 5.85 0.24 -2.36 115.31 120.18 1sxg h LEU 135 Ca -0.26 0.12 0.03 0.00 0.84 0.00 0.00 57.88 58.61 1sxg h LEU 135 Cb 2.10 0.21 -0.03 0.00 0.37 0.00 0.00 40.66 43.31 1sxg h LEU 135 CO 0.22 -0.07 -0.07 0.11 -0.34 0.00 0.00 178.44 178.30 1sxg h LYS 136 N 0.12 -0.07 0.00 1.25 1.57 -1.47 -1.72 116.57 116.25 1sxg h LYS 136 Ca 0.25 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.03 1sxg h LYS 136 Cb 0.37 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.70 1sxg h LYS 136 CO -0.41 -0.05 0.31 0.87 -0.57 0.00 0.00 179.45 179.60 1sxg h LYS 137 N -0.07 0.00 -6.98 3.15 1.57 -1.54 -3.43 116.57 109.27 1sxg h LYS 137 Ca 0.07 0.00 -0.54 0.00 -1.87 0.00 0.00 60.65 58.30 1sxg h LYS 137 Cb 0.17 0.00 0.12 0.00 0.08 0.00 0.00 32.23 32.60 1sxg h LYS 137 CO -0.15 0.00 0.73 0.45 -0.57 0.00 0.00 179.45 179.90 1sxg s SER 138 N -4.21 6.00 0.00 0.86 0.15 -0.65 -4.96 113.70 110.89 1sxg s SER 138 Ca -0.03 2.96 0.00 0.00 0.70 0.00 0.00 55.95 59.58 1sxg s SER 138 Cb 0.08 -2.66 0.00 0.00 -1.71 0.00 0.00 66.02 61.73 1sxg s SER 138 CO 0.24 -1.09 0.76 -2.65 1.20 0.00 0.00 173.24 171.70 1sxg n PRO 139 N -0.01 0.00 -2.14 5.44 -0.02 -1.26 -4.78 135.00 132.23 1sxg n PRO 139 Ca 0.04 0.28 -0.37 0.00 -2.02 0.00 0.00 63.50 61.43 1sxg n PRO 139 Cb 0.41 -1.27 0.01 0.00 -0.02 0.00 0.00 33.50 32.63 1sxg n PRO 139 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1sxg s VAL 140 N -2.09 2.86 0.44 -1.45 -7.23 -1.26 -4.97 120.40 106.71 1sxg s VAL 140 Ca 0.00 0.61 -0.25 0.00 -1.81 0.00 0.00 61.98 60.53 1sxg s VAL 140 Cb 0.00 -3.29 -0.08 0.00 0.56 0.00 0.00 36.38 33.57 1sxg s VAL 140 CO 0.00 -0.04 1.39 -2.84 -0.31 0.00 0.00 175.10 173.30 1sxg s PRO 141 N -2.93 3.74 -0.05 4.82 0.02 -1.25 -4.83 135.00 134.52 1sxg s PRO 141 Ca 0.69 2.35 0.01 0.00 0.02 0.00 0.00 61.00 64.06 1sxg s PRO 141 Cb -0.30 -2.67 0.02 0.00 0.02 0.00 0.00 34.50 31.57 1sxg s PRO 141 CO 0.35 -0.75 -0.05 0.08 -0.33 0.00 0.00 177.00 176.31 1sxg s VAL 142 N -1.22 0.58 -0.04 3.83 1.01 -1.26 -1.05 120.40 122.25 1sxg s VAL 142 Ca 0.60 -0.13 0.03 0.00 0.00 0.00 0.00 61.98 62.48 1sxg s VAL 142 Cb -0.42 -0.61 0.00 0.00 0.00 0.00 0.00 36.38 35.35 1sxg s VAL 142 CO 0.54 0.24 -0.12 0.54 0.00 0.00 0.00 175.10 176.31 1sxg s VAL 143 N 1.00 1.01 0.62 2.92 0.11 -0.12 -4.41 120.40 121.53 1sxg s VAL 143 Ca -0.10 -0.47 -0.10 0.00 -2.93 0.00 0.00 61.98 58.38 1sxg s VAL 143 Cb -0.14 -0.90 -0.03 0.00 -1.53 0.00 0.00 36.38 33.78 1sxg s VAL 143 CO -0.00 0.31 1.01 -0.76 -3.33 0.00 0.00 175.10 172.33 1sxg s LEU 144 N 0.24 3.24 -0.12 2.54 1.43 0.16 -1.43 118.68 124.74 1sxg s LEU 144 Ca -0.05 1.34 -0.04 0.00 -1.03 0.00 0.00 54.13 54.36 1sxg s LEU 144 Cb -0.11 -4.36 0.05 0.00 0.03 0.00 0.00 46.19 41.81 1sxg s LEU 144 CO 0.01 -0.89 0.12 0.00 0.23 0.00 0.00 176.35 175.82 1sxg s ALA 145 N -3.16 0.13 -1.46 4.21 0.00 -0.53 -2.36 121.76 118.59 1sxg s ALA 145 Ca 0.55 0.12 0.00 0.00 0.00 0.00 0.00 51.96 52.63 1sxg s ALA 145 Cb -0.11 -0.90 0.00 0.00 0.00 0.00 0.00 23.12 22.11 1sxg s ALA 145 CO 0.53 -0.84 0.00 0.00 0.00 0.00 0.00 175.76 175.45 1sxg n ALA 146 N 5.30 -0.50 -3.36 0.00 0.00 -0.56 -4.66 120.51 116.74 1sxg n ALA 146 Ca -0.05 0.14 -0.12 0.00 0.00 0.00 0.00 53.44 53.40 1sxg n ALA 146 Cb 0.50 -1.88 -0.12 0.00 0.00 0.00 0.00 19.45 17.95 1sxg n ALA 146 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1sxg s SER 147 N -2.24 -0.30 0.33 0.00 1.04 -1.26 -4.90 113.70 106.38 1sxg s SER 147 Ca 0.00 0.57 0.08 0.00 0.48 0.00 0.00 55.95 57.07 1sxg s SER 147 Cb 0.00 0.53 -0.03 0.00 0.10 0.00 0.00 66.02 66.62 1sxg s SER 147 CO 0.00 -0.12 0.26 0.27 0.98 0.00 0.00 173.24 174.62 1sxg s ILE 148 N 0.55 3.45 -0.13 -1.02 -4.36 -1.26 -4.90 121.20 113.53 1sxg s ILE 148 Ca -0.03 -1.44 -0.06 0.00 -0.26 0.00 0.00 60.65 58.85 1sxg s ILE 148 Cb -0.05 -3.15 0.06 0.00 1.25 0.00 0.00 42.46 40.57 1sxg s ILE 148 CO -0.03 -0.18 0.30 -1.83 0.24 0.00 0.00 174.94 173.44 1sxg s GLU 149 N -3.96 0.25 0.18 0.37 4.04 -1.26 -4.10 118.70 114.22 1sxg s GLU 149 Ca 0.40 0.67 -0.17 0.00 0.04 0.00 0.00 54.97 55.91 1sxg s GLU 149 Cb -0.05 -0.05 0.13 0.00 0.02 0.00 0.00 34.13 34.18 1sxg s GLU 149 CO 0.26 -0.19 1.64 0.77 -1.84 0.00 0.00 175.26 175.89 1sxg h SER 150 N 7.47 -0.58 0.32 0.83 0.02 -1.98 -1.90 113.55 117.73 1sxg h SER 150 Ca -0.33 0.16 0.00 0.00 -0.84 0.00 0.00 61.79 60.78 1sxg h SER 150 Cb 1.15 0.34 0.00 0.00 0.14 0.00 0.00 62.40 64.03 1sxg h SER 150 CO 0.29 -0.20 0.00 0.71 -1.14 0.00 0.00 176.83 176.49 1sxg h THR 151 N -0.06 0.00 -6.96 -2.27 1.35 -1.98 -3.46 112.91 99.54 1sxg h THR 151 Ca 0.22 -0.12 -0.58 0.00 -0.55 0.00 0.00 66.41 65.38 1sxg h THR 151 Cb 0.40 0.80 -0.20 0.00 -1.73 0.00 0.00 68.15 67.42 1sxg h THR 151 CO -0.51 0.00 -0.91 -0.46 -0.25 0.00 0.00 175.52 173.40 1sxg n ASN 152 N -2.46 0.77 -0.10 5.36 0.23 -0.71 -4.86 115.26 113.49 1sxg n ASN 152 Ca -0.00 -1.20 -0.12 0.00 -0.53 0.00 0.00 54.58 52.73 1sxg n ASN 152 Cb 0.12 -1.49 -0.15 0.00 -2.08 0.00 0.00 39.78 36.19 1sxg n ASN 152 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1sxg n GLN 153 N -4.33 0.68 -3.52 -3.83 6.02 -1.26 -4.90 117.38 106.23 1sxg n GLN 153 Ca -0.29 0.06 -0.38 0.00 -0.01 0.00 0.00 57.00 56.38 1sxg n GLN 153 Cb 0.64 -1.54 -0.06 0.00 1.02 0.00 0.00 30.24 30.30 1sxg n GLN 153 CO 0.00 0.00 0.00 0.96 -1.01 0.00 0.00 177.06 177.01 1sxg s ILE 154 N -2.51 5.06 -0.06 5.09 -4.36 -1.26 -5.02 121.20 118.15 1sxg s ILE 154 Ca -0.16 0.80 -0.37 0.00 -0.26 0.00 0.00 60.65 60.66 1sxg s ILE 154 Cb 0.07 -3.69 -0.15 0.00 1.25 0.00 0.00 42.46 39.93 1sxg s ILE 154 CO 0.77 0.57 1.59 -2.65 0.24 0.00 0.00 174.94 175.46 1sxg n PRO 155 N 1.89 1.42 -3.59 0.37 -0.02 -1.26 -4.78 135.00 129.02 1sxg n PRO 155 Ca -0.14 0.52 -0.08 0.00 -2.02 0.00 0.00 63.50 61.77 1sxg n PRO 155 Cb 0.52 -2.22 -0.09 0.00 -0.02 0.00 0.00 33.50 31.70 1sxg n PRO 155 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1sxg s SER 156 N 2.10 -0.23 -0.27 2.55 1.04 -1.20 0.40 113.70 118.10 1sxg s SER 156 Ca 0.90 0.87 -0.15 0.00 0.48 0.00 0.00 55.95 58.06 1sxg s SER 156 Cb -0.92 1.36 -0.04 0.00 0.10 0.00 0.00 66.02 66.52 1sxg s SER 156 CO 0.53 -0.24 0.36 0.54 0.98 0.00 0.00 173.24 175.41 1sxg s VAL 157 N 2.62 5.19 0.00 5.02 0.11 -0.99 -1.60 120.40 130.74 1sxg s VAL 157 Ca 0.01 0.54 0.00 0.00 -2.93 0.00 0.00 61.98 59.61 1sxg s VAL 157 Cb -0.13 -3.69 0.00 0.00 -1.53 0.00 0.00 36.38 31.04 1sxg s VAL 157 CO -0.14 0.17 0.00 1.07 -3.33 0.00 0.00 175.10 172.87 1sxg n THR 158 N 5.08 0.00 -4.54 5.04 5.66 0.28 -1.49 114.28 124.31 1sxg n THR 158 Ca -0.09 0.00 -0.27 0.00 -3.05 0.00 0.00 64.05 60.65 1sxg n THR 158 Cb 0.51 0.00 -0.08 0.00 -1.55 0.00 0.00 70.33 69.21 1sxg n THR 158 CO 0.00 0.00 0.00 0.27 -3.05 0.00 0.00 175.07 172.29 1sxg s ILE 159 N -1.99 0.58 -1.23 1.09 -4.36 -1.26 0.19 121.20 114.21 1sxg s ILE 159 Ca 0.00 -2.00 -0.12 0.00 -0.26 0.00 0.00 60.65 58.27 1sxg s ILE 159 Cb 0.00 -2.29 0.18 0.00 1.25 0.00 0.00 42.46 41.59 1sxg s ILE 159 CO 0.00 0.00 1.60 -0.67 0.24 0.00 0.00 174.94 176.11 1sxg n ASP 160 N -1.39 5.22 -0.32 4.36 -0.08 -1.26 -4.85 116.55 118.22 1sxg n ASP 160 Ca -0.07 -3.04 0.20 0.00 -1.51 0.00 0.00 54.79 50.36 1sxg n ASP 160 Cb 0.65 -1.52 0.39 0.00 2.34 0.00 0.00 41.12 42.97 1sxg n ASP 160 CO 0.00 0.00 0.00 1.88 0.12 0.00 0.00 177.20 179.20 1sxg h TYR 161 N 6.54 0.38 -0.01 -0.67 0.99 -1.97 0.37 116.97 122.60 1sxg h TYR 161 Ca 0.34 0.05 -0.00 0.00 2.00 0.00 0.00 58.73 61.12 1sxg h TYR 161 Cb 0.77 -0.01 -0.00 0.00 1.00 0.00 0.00 36.73 38.49 1sxg h TYR 161 CO 1.14 -0.36 0.00 1.49 -0.00 0.00 0.00 178.16 180.44 1sxg h GLU 162 N 0.09 0.02 -0.17 4.88 4.22 -1.89 0.13 114.58 121.86 1sxg h GLU 162 Ca 0.66 -0.00 -0.00 0.00 0.08 0.00 0.00 59.36 60.10 1sxg h GLU 162 Cb 1.50 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.74 1sxg h GLU 162 CO -0.78 0.21 0.10 0.37 -2.18 0.00 0.00 179.01 176.73 1sxg h GLN 163 N -0.17 0.23 0.15 1.92 5.75 -1.04 -0.10 115.11 121.84 1sxg h GLN 163 Ca 0.00 -0.02 0.02 0.00 -0.15 0.00 0.00 58.65 58.50 1sxg h GLN 163 Cb 0.20 -0.05 -0.04 0.00 1.07 0.00 0.00 27.48 28.66 1sxg h GLN 163 CO -0.00 0.22 -0.46 0.00 -2.65 0.00 0.00 178.83 175.94 1sxg h ALA 164 N 1.00 -0.84 -0.97 3.38 0.00 -0.34 0.48 119.26 121.98 1sxg h ALA 164 Ca 0.06 -0.09 0.25 0.00 0.00 0.00 0.00 54.91 55.12 1sxg h ALA 164 Cb 0.05 0.76 -0.13 0.00 0.00 0.00 0.00 17.79 18.47 1sxg h ALA 164 CO -0.01 -1.04 0.53 0.00 0.00 0.00 0.00 179.25 178.73 1sxg h ALA 165 N -0.32 1.69 0.34 0.00 0.00 -0.44 -1.17 119.26 119.37 1sxg h ALA 165 Ca 0.01 0.14 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 1sxg h ALA 165 Cb 0.72 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1sxg h ALA 165 CO -0.24 -0.33 -0.16 0.35 0.00 0.00 0.00 179.25 178.87 1sxg h PHE 166 N 0.49 -0.42 -0.82 0.00 3.04 0.99 -2.87 116.94 117.35 1sxg h PHE 166 Ca 0.63 -0.01 0.11 0.00 3.98 0.00 0.00 57.97 62.68 1sxg h PHE 166 Cb 1.22 0.14 -0.06 0.00 2.56 0.00 0.00 35.95 39.81 1sxg h PHE 166 CO -0.05 -0.10 0.53 -0.44 -2.02 0.00 0.00 178.31 176.23 1sxg h ASP 167 N -0.77 0.65 1.01 0.41 3.32 0.66 0.21 116.42 121.90 1sxg h ASP 167 Ca -0.05 0.02 -0.05 0.00 0.02 0.00 0.00 57.03 56.98 1sxg h ASP 167 Cb 0.51 -0.11 0.01 0.00 0.22 0.00 0.00 39.33 39.96 1sxg h ASP 167 CO 0.08 0.37 -0.48 0.00 -1.72 0.00 0.00 179.24 177.48 1sxg h ALA 168 N 1.60 -1.36 -0.87 3.45 0.00 -1.20 0.33 119.26 121.21 1sxg h ALA 168 Ca 0.39 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 1sxg h ALA 168 Cb 0.53 0.52 -0.04 0.00 0.00 0.00 0.00 17.79 18.80 1sxg h ALA 168 CO -0.15 -1.26 0.53 -0.24 0.00 0.00 0.00 179.25 178.13 1sxg h VAL 169 N -1.36 1.24 -0.99 0.00 3.04 -1.27 -1.08 116.25 115.82 1sxg h VAL 169 Ca -0.14 -0.51 0.08 0.00 -1.01 0.00 0.00 66.70 65.12 1sxg h VAL 169 Cb 1.04 0.00 -0.07 0.00 -2.01 0.00 0.00 31.29 30.25 1sxg h VAL 169 CO 0.23 0.25 0.63 -0.61 -1.01 0.00 0.00 177.57 177.06 1sxg h GLN 170 N 1.20 1.06 -0.66 4.17 5.75 -0.81 0.49 115.11 126.32 1sxg h GLN 170 Ca 0.31 -0.06 0.11 0.00 -0.15 0.00 0.00 58.65 58.86 1sxg h GLN 170 Cb -0.06 -0.24 -0.04 0.00 1.07 0.00 0.00 27.48 28.21 1sxg h GLN 170 CO -0.06 0.70 0.44 1.03 -2.65 0.00 0.00 178.83 178.30 1sxg h SER 171 N 1.10 0.39 -0.03 -0.69 0.87 0.40 -0.08 113.55 115.50 1sxg h SER 171 Ca 0.45 0.01 -0.16 0.00 -1.23 0.00 0.00 61.79 60.87 1sxg h SER 171 Cb 0.28 -0.07 0.01 0.00 -0.44 0.00 0.00 62.40 62.18 1sxg h SER 171 CO -0.21 0.23 -0.60 -0.07 -0.53 0.00 0.00 176.83 175.65 1sxg h LEU 172 N 0.43 0.57 -0.36 2.23 3.38 0.19 -3.20 115.31 118.56 1sxg h LEU 172 Ca 0.31 -0.73 -0.00 0.00 0.09 0.00 0.00 57.88 57.55 1sxg h LEU 172 Cb 0.64 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 1sxg h LEU 172 CO -0.09 1.22 0.21 0.40 0.09 0.00 0.00 178.44 180.27 1sxg h ILE 173 N -0.02 1.13 0.00 1.22 2.04 -0.27 -1.69 117.51 119.92 1sxg h ILE 173 Ca -0.07 -0.30 0.00 0.00 1.00 0.00 0.00 64.86 65.49 1sxg h ILE 173 Cb 1.29 0.68 0.00 0.00 -0.74 0.00 0.00 36.82 38.05 1sxg h ILE 173 CO 0.12 0.13 0.00 0.44 0.00 0.00 0.00 178.15 178.83 1sxg h ASP 174 N 0.46 0.00 -0.36 1.72 3.45 -1.13 0.97 116.42 121.53 1sxg h ASP 174 Ca 0.13 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.59 1sxg h ASP 174 Cb 0.02 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.79 1sxg h ASP 174 CO -0.02 0.00 0.00 -0.24 -1.57 0.00 0.00 179.24 177.41 1sxg n SER 175 N -2.34 3.32 -0.91 6.45 2.88 -0.64 -4.97 113.62 117.41 1sxg n SER 175 Ca -0.01 -1.98 0.00 0.00 -1.33 0.00 0.00 58.87 55.55 1sxg n SER 175 Cb 0.05 -0.23 0.00 0.00 -0.75 0.00 0.00 64.21 63.29 1sxg n SER 175 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1sxg n GLY 176 N 1.48 0.71 3.14 0.46 0.00 0.34 -5.09 105.19 106.23 1sxg n GLY 176 Ca 0.19 -0.40 -0.25 0.00 0.00 0.00 0.00 46.02 45.57 1sxg n GLY 176 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1sxg s HIS 177 N -2.58 1.55 -0.09 1.61 3.76 -1.19 -5.03 115.29 113.32 1sxg s HIS 177 Ca 0.00 -0.35 0.00 0.00 -0.15 0.00 0.00 55.06 54.57 1sxg s HIS 177 Cb 0.00 -1.02 -0.06 0.00 1.11 0.00 0.00 32.58 32.61 1sxg s HIS 177 CO 0.00 -0.07 -0.08 1.63 -0.85 0.00 0.00 174.74 175.36 1sxg n LYS 178 N 2.85 0.23 -3.25 1.40 4.76 -1.26 -4.49 118.16 118.40 1sxg n LYS 178 Ca -0.16 0.06 -0.45 0.00 -2.87 0.00 0.00 58.31 54.88 1sxg n LYS 178 Cb 0.54 -1.17 -0.01 0.00 -1.84 0.00 0.00 35.03 32.55 1sxg n LYS 178 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 1sxg s ASN 179 N -4.94 7.09 -0.21 4.39 -0.87 -1.26 -4.90 114.94 114.24 1sxg s ASN 179 Ca -0.12 -3.17 -0.05 0.00 -1.57 0.00 0.00 52.86 47.95 1sxg s ASN 179 Cb 0.03 -2.25 -0.02 0.00 -0.02 0.00 0.00 41.25 38.99 1sxg s ASN 179 CO 0.21 -0.48 0.01 -0.63 -2.57 0.00 0.00 177.10 173.64 1sxg s ILE 180 N -0.22 3.96 0.76 0.60 1.09 -1.26 -1.02 121.20 125.12 1sxg s ILE 180 Ca 0.29 -0.31 -0.02 0.00 -1.10 0.00 0.00 60.65 59.51 1sxg s ILE 180 Cb -0.09 -2.80 0.16 0.00 -1.06 0.00 0.00 42.46 38.67 1sxg s ILE 180 CO -0.07 0.42 1.05 0.00 -0.10 0.00 0.00 174.94 176.23 1sxg n ALA 181 N 4.35 -0.02 -3.55 9.38 0.00 0.25 -4.97 120.51 125.95 1sxg n ALA 181 Ca -0.17 -1.94 -0.12 0.00 0.00 0.00 0.00 53.44 51.20 1sxg n ALA 181 Cb 0.52 0.27 -0.11 0.00 0.00 0.00 0.00 19.45 20.13 1sxg n ALA 181 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1sxg s PHE 182 N -3.22 -0.56 -0.45 0.00 5.99 0.14 -2.08 117.98 117.79 1sxg s PHE 182 Ca 0.68 0.88 -0.16 0.00 0.00 0.00 0.00 56.93 58.33 1sxg s PHE 182 Cb -0.04 -0.03 0.05 0.00 0.00 0.00 0.00 43.02 43.01 1sxg s PHE 182 CO 0.45 -0.52 0.40 0.08 -0.00 0.00 0.00 175.22 175.63 1sxg s VAL 183 N 2.47 5.19 0.38 3.12 1.01 0.01 -1.78 120.40 130.81 1sxg s VAL 183 Ca 0.05 -0.82 0.06 0.00 0.00 0.00 0.00 61.98 61.27 1sxg s VAL 183 Cb -0.14 -4.08 0.00 0.00 0.00 0.00 0.00 36.38 32.16 1sxg s VAL 183 CO -0.12 -0.51 0.53 -0.55 0.00 0.00 0.00 175.10 174.45 1sxg s SER 184 N 2.28 5.82 1.00 3.32 0.15 -0.78 -0.58 113.70 124.91 1sxg s SER 184 Ca 0.06 -0.23 -0.04 0.00 0.70 0.00 0.00 55.95 56.45 1sxg s SER 184 Cb -0.22 -1.03 0.05 0.00 -1.71 0.00 0.00 66.02 63.11 1sxg s SER 184 CO 0.09 -0.60 0.30 0.61 1.20 0.00 0.00 173.24 174.83 1sxg n GLY 185 N -1.78 -1.21 3.67 9.45 0.00 -1.26 -1.02 105.19 113.04 1sxg n GLY 185 Ca 0.03 -1.68 -0.47 0.00 0.00 0.00 0.00 46.02 43.90 1sxg n GLY 185 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1sxg n THR 186 N -2.41 0.10 0.36 2.61 -2.24 -1.24 -4.47 114.28 106.99 1sxg n THR 186 Ca 0.04 -0.02 0.08 0.00 -2.27 0.00 0.00 64.05 61.88 1sxg n THR 186 Cb 0.13 -1.53 0.35 0.00 -2.10 0.00 0.00 70.33 67.18 1sxg n THR 186 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1sxg n LEU 187 N 3.87 0.27 -0.04 3.22 4.32 -1.26 -2.53 117.00 124.85 1sxg n LEU 187 Ca 0.18 0.58 0.14 0.00 -0.02 0.00 0.00 56.01 56.89 1sxg n LEU 187 Cb 0.28 -0.56 0.60 0.00 -1.62 0.00 0.00 43.42 42.12 1sxg n LEU 187 CO 0.65 -0.46 0.88 -1.84 -1.22 0.00 0.00 177.39 175.40 1sxg n GLU 188 N -1.81 0.36 -2.73 3.23 0.00 -1.26 -3.78 120.64 114.64 1sxg n GLU 188 Ca 0.02 -0.09 -0.42 0.00 0.00 0.00 0.00 57.16 56.67 1sxg n GLU 188 Cb 0.15 -1.50 -0.03 0.00 0.00 0.00 0.00 31.44 30.06 1sxg n GLU 188 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.13 175.92 1sxg s GLU 189 N -2.70 4.32 0.29 3.44 2.02 -1.05 -4.93 118.70 120.09 1sxg s GLU 189 Ca 0.23 1.27 0.01 0.00 0.02 0.00 0.00 54.97 56.50 1sxg s GLU 189 Cb 0.19 -3.59 0.71 0.00 0.10 0.00 0.00 34.13 31.54 1sxg s GLU 189 CO 0.51 -0.46 1.60 -1.00 0.02 0.00 0.00 175.26 175.94 1sxg h PRO 190 N 7.33 0.07 -0.91 0.39 0.13 -1.85 0.13 132.00 137.29 1sxg h PRO 190 Ca -0.25 -0.00 0.19 0.00 -0.87 0.00 0.00 66.00 65.06 1sxg h PRO 190 Cb 1.11 -0.02 -0.11 0.00 0.13 0.00 0.00 31.00 32.11 1sxg h PRO 190 CO 0.90 0.05 0.47 0.97 -0.23 0.00 0.00 178.00 180.16 1sxg h ILE 191 N 0.08 0.61 0.03 -3.56 6.09 -1.92 0.52 117.51 119.36 1sxg h ILE 191 Ca 0.56 -0.19 -0.00 0.00 -1.37 0.00 0.00 64.86 63.86 1sxg h ILE 191 Cb 1.15 0.00 0.00 0.00 0.47 0.00 0.00 36.82 38.44 1sxg h ILE 191 CO -0.80 0.10 -0.01 0.78 -3.07 0.00 0.00 178.15 175.15 1sxg h ASN 192 N 0.56 -0.03 -0.12 2.19 -0.26 -1.03 -0.50 115.58 116.39 1sxg h ASN 192 Ca 0.54 0.00 -0.08 0.00 -0.56 0.00 0.00 56.30 56.20 1sxg h ASN 192 Cb 0.90 0.01 -0.02 0.00 -1.06 0.00 0.00 38.32 38.16 1sxg h ASN 192 CO -0.44 0.24 -0.15 1.12 -1.06 0.00 0.00 177.43 177.14 1sxg h HIS 193 N -0.56 0.53 0.00 1.19 2.07 -1.43 -1.14 115.15 115.81 1sxg h HIS 193 Ca -0.00 -0.09 -0.05 0.00 -2.85 0.00 0.00 60.37 57.38 1sxg h HIS 193 Cb 0.03 -0.14 -0.01 0.00 2.57 0.00 0.00 27.41 29.86 1sxg h HIS 193 CO 0.01 0.62 -1.06 0.00 -3.07 0.00 0.00 177.93 174.43 1sxg h ALA 194 N 1.40 0.58 0.00 6.11 0.00 -0.14 -3.38 119.26 123.82 1sxg h ALA 194 Ca 0.08 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1sxg h ALA 194 Cb 0.53 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1sxg h ALA 194 CO 0.03 0.30 -0.09 1.63 0.00 0.00 0.00 179.25 181.13 1sxg n LYS 195 N -2.78 0.00 0.50 0.00 4.76 -1.03 -4.69 118.16 114.91 1sxg n LYS 195 Ca -0.03 0.00 -0.20 0.00 -2.87 0.00 0.00 58.31 55.22 1sxg n LYS 195 Cb 0.64 -0.40 -0.09 0.00 -1.84 0.00 0.00 35.03 33.34 1sxg n LYS 195 CO 0.00 0.00 0.00 0.87 -1.37 0.00 0.00 177.40 176.90 1sxg h LYS 196 N 0.00 -1.23 -0.60 1.97 1.57 -0.93 0.44 116.57 117.78 1sxg h LYS 196 Ca 0.00 0.08 0.07 0.00 -1.87 0.00 0.00 60.65 58.94 1sxg h LYS 196 Cb 0.09 0.28 -0.06 0.00 0.08 0.00 0.00 32.23 32.62 1sxg h LYS 196 CO 0.00 -0.82 0.28 -0.24 -0.57 0.00 0.00 179.45 178.10 1sxg h VAL 197 N -1.34 0.87 -0.47 0.50 3.04 -1.47 0.20 116.25 117.57 1sxg h VAL 197 Ca -0.13 -0.18 0.07 0.00 -1.01 0.00 0.00 66.70 65.46 1sxg h VAL 197 Cb 0.98 0.31 -0.03 0.00 -2.01 0.00 0.00 31.29 30.55 1sxg h VAL 197 CO 0.21 0.09 0.32 0.11 -1.01 0.00 0.00 177.57 177.30 1sxg h LYS 198 N 0.51 0.32 0.00 4.17 6.56 -1.72 0.66 116.57 127.08 1sxg h LYS 198 Ca 0.29 -0.02 -0.13 0.00 -1.06 0.00 0.00 60.65 59.73 1sxg h LYS 198 Cb 0.27 -0.07 -0.02 0.00 -0.57 0.00 0.00 32.23 31.84 1sxg h LYS 198 CO -0.23 0.21 -0.61 0.78 -2.06 0.00 0.00 179.45 177.55 1sxg h GLY 199 N 0.33 0.00 0.32 3.86 0.00 0.16 -1.23 103.07 106.50 1sxg h GLY 199 Ca 0.21 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.49 1sxg h GLY 199 CO -0.05 0.00 -0.20 -1.82 0.00 0.00 0.00 176.54 174.47 1sxg h TYR 200 N 0.00 0.17 -0.98 5.60 5.03 0.14 -2.95 116.97 123.98 1sxg h TYR 200 Ca -0.01 -0.11 0.03 0.00 2.58 0.00 0.00 58.73 61.23 1sxg h TYR 200 Cb 1.29 -0.02 -0.05 0.00 1.55 0.00 0.00 36.73 39.50 1sxg h TYR 200 CO 0.00 0.97 0.64 0.87 -1.32 0.00 0.00 178.16 179.32 1sxg h LYS 201 N -0.67 1.23 0.87 1.82 1.57 0.21 -1.60 116.57 120.00 1sxg h LYS 201 Ca -0.03 -0.07 -0.04 0.00 -1.87 0.00 0.00 60.65 58.63 1sxg h LYS 201 Cb 1.03 -0.28 0.01 0.00 0.08 0.00 0.00 32.23 33.07 1sxg h LYS 201 CO 0.04 0.82 -0.42 -0.09 -0.57 0.00 0.00 179.45 179.23 1sxg h ARG 202 N 1.27 -1.12 -0.97 3.15 2.43 -1.30 0.09 114.38 117.92 1sxg h ARG 202 Ca 0.38 0.08 0.24 0.00 -0.81 0.00 0.00 59.98 59.87 1sxg h ARG 202 Cb -0.05 0.26 -0.07 0.00 -0.42 0.00 0.00 29.97 29.68 1sxg h ARG 202 CO -0.11 -0.75 0.65 0.00 -1.51 0.00 0.00 179.97 178.25 1sxg h ALA 203 N -1.29 2.34 0.07 2.80 0.00 -1.41 -0.90 119.26 120.86 1sxg h ALA 203 Ca -0.12 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 1sxg h ALA 203 Cb 0.90 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1sxg h ALA 203 CO 0.20 -0.67 -0.03 1.25 0.00 0.00 0.00 179.25 180.00 1sxg h LEU 204 N 0.34 -0.07 -0.44 0.00 5.85 -1.07 -3.29 115.31 116.63 1sxg h LEU 204 Ca 0.51 -0.54 -0.12 0.00 0.84 0.00 0.00 57.88 58.57 1sxg h LEU 204 Cb 1.41 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 42.45 1sxg h LEU 204 CO -0.19 0.55 -0.21 0.71 -0.34 0.00 0.00 178.44 178.96 1sxg h THR 205 N -0.76 1.27 -0.77 1.05 1.35 -0.33 -2.53 112.91 112.20 1sxg h THR 205 Ca -0.01 -1.37 0.14 0.00 -0.55 0.00 0.00 66.41 64.63 1sxg h THR 205 Cb 0.61 1.22 -0.05 0.00 -1.73 0.00 0.00 68.15 68.19 1sxg h THR 205 CO 0.01 0.46 0.51 -0.33 -0.25 0.00 0.00 175.52 175.93 1sxg h GLU 206 N 0.75 0.47 -0.89 4.72 5.08 -1.33 0.94 114.58 124.31 1sxg h GLU 206 Ca 0.10 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.41 1sxg h GLU 206 Cb 0.78 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.92 1sxg h GLU 206 CO 0.06 0.31 0.03 0.45 -1.00 0.00 0.00 179.01 178.86 1sxg n SER 207 N -4.49 2.52 0.00 1.42 2.88 -1.18 -4.86 113.62 109.90 1sxg n SER 207 Ca 0.14 -2.30 0.00 0.00 -1.33 0.00 0.00 58.87 55.38 1sxg n SER 207 Cb 0.49 -0.56 0.00 0.00 -0.75 0.00 0.00 64.21 63.39 1sxg n SER 207 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1sxg n GLY 208 N 0.16 2.05 3.37 0.46 0.00 0.33 -4.98 105.19 106.58 1sxg n GLY 208 Ca 0.10 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.76 1sxg n GLY 208 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1sxg n LEU 209 N 0.00 -0.84 -4.87 0.99 4.77 -0.96 -4.89 117.00 111.20 1sxg n LEU 209 Ca 0.00 0.45 -0.36 0.00 -0.03 0.00 0.00 56.01 56.07 1sxg n LEU 209 Cb 0.00 -1.12 -0.06 0.00 -2.33 0.00 0.00 43.42 39.91 1sxg n LEU 209 CO 0.00 -3.83 -0.04 -2.16 -1.33 0.00 0.00 177.39 170.03 1sxg s PRO 210 N -2.80 3.64 -0.16 3.23 0.05 -1.26 -4.05 135.00 133.66 1sxg s PRO 210 Ca 0.58 0.07 -0.21 0.00 0.05 0.00 0.00 61.00 61.49 1sxg s PRO 210 Cb -0.29 -3.16 -0.03 0.00 0.05 0.00 0.00 34.50 31.07 1sxg s PRO 210 CO 0.65 0.70 0.63 0.08 0.05 0.00 0.00 177.00 179.11 1sxg s VAL 211 N -1.14 5.05 -0.26 -0.36 1.01 -1.26 -4.98 120.40 118.46 1sxg s VAL 211 Ca 0.22 1.22 -0.03 0.00 0.00 0.00 0.00 61.98 63.39 1sxg s VAL 211 Cb -0.14 -3.95 0.02 0.00 0.00 0.00 0.00 36.38 32.31 1sxg s VAL 211 CO 0.11 0.17 -0.02 -0.13 0.00 0.00 0.00 175.10 175.23 1sxg s ARG 212 N 1.48 2.95 0.44 2.72 3.00 -1.26 -4.98 118.95 123.30 1sxg s ARG 212 Ca 0.30 -0.91 0.16 0.00 0.00 0.00 0.00 55.73 55.28 1sxg s ARG 212 Cb -0.16 -3.09 1.07 0.00 0.00 0.00 0.00 34.95 32.77 1sxg s ARG 212 CO 0.12 -0.39 1.94 -0.44 0.00 0.00 0.00 175.30 176.53 1sxg h ASP 213 N 8.08 0.35 0.49 0.23 3.32 -1.97 0.53 116.42 127.46 1sxg h ASP 213 Ca -0.33 0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.74 1sxg h ASP 213 Cb 1.12 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.61 1sxg h ASP 213 CO 0.58 0.19 0.00 0.28 -1.72 0.00 0.00 179.24 178.57 1sxg h SER 214 N 0.38 0.00 0.46 6.45 0.02 -2.03 -1.81 113.55 117.02 1sxg h SER 214 Ca 0.34 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.29 1sxg h SER 214 Cb 0.79 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.33 1sxg h SER 214 CO -0.10 0.00 -0.64 -1.22 -1.14 0.00 0.00 176.83 173.73 1sxg n TYR 215 N -2.43 0.08 -3.43 3.45 4.02 0.19 -4.65 117.16 114.39 1sxg n TYR 215 Ca 0.00 0.02 -0.44 0.00 -0.01 0.00 0.00 57.90 57.48 1sxg n TYR 215 Cb 0.17 -0.27 -0.06 0.00 -0.02 0.00 0.00 39.34 39.16 1sxg n TYR 215 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 1sxg s ILE 216 N -3.04 4.90 -0.12 -0.72 1.01 -0.68 -0.68 121.20 121.87 1sxg s ILE 216 Ca 0.09 -2.03 -0.04 0.00 0.00 0.00 0.00 60.65 58.67 1sxg s ILE 216 Cb 0.17 -4.13 -0.04 0.00 0.01 0.00 0.00 42.46 38.47 1sxg s ILE 216 CO 0.74 -0.89 0.04 -0.69 0.00 0.00 0.00 174.94 174.13 1sxg s VAL 217 N 0.92 4.65 -0.14 2.92 1.01 -0.73 -4.99 120.40 124.04 1sxg s VAL 217 Ca 0.10 -0.11 -0.18 0.00 0.00 0.00 0.00 61.98 61.79 1sxg s VAL 217 Cb -0.22 -3.00 -0.04 0.00 0.00 0.00 0.00 36.38 33.12 1sxg s VAL 217 CO -0.02 0.57 0.47 -1.61 0.00 0.00 0.00 175.10 174.51 1sxg s GLU 218 N -0.60 4.30 0.01 2.72 2.02 -1.26 -1.86 118.70 124.03 1sxg s GLU 218 Ca 0.11 0.41 0.00 0.00 0.02 0.00 0.00 54.97 55.50 1sxg s GLU 218 Cb -0.12 -3.46 0.00 0.00 0.10 0.00 0.00 34.13 30.65 1sxg s GLU 218 CO 0.02 0.11 0.01 0.41 0.02 0.00 0.00 175.26 175.83 1sxg n GLY 219 N 3.40 2.88 1.53 -1.39 0.00 -0.19 -4.96 105.19 106.47 1sxg n GLY 219 Ca -0.07 -2.17 0.01 0.00 0.00 0.00 0.00 46.02 43.79 1sxg n GLY 219 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1sxg n ASP 220 N -2.15 1.76 0.00 1.61 3.85 -1.26 -3.59 116.55 116.77 1sxg n ASP 220 Ca 0.00 -2.76 0.00 0.00 -0.71 0.00 0.00 54.79 51.32 1sxg n ASP 220 Cb 0.01 -0.40 0.00 0.00 -1.35 0.00 0.00 41.12 39.38 1sxg n ASP 220 CO 0.00 0.00 0.00 -1.22 -1.01 0.00 0.00 177.20 174.97 1sxg n TYR 221 N -0.30 0.00 -3.31 2.11 0.53 -1.26 -4.95 117.16 109.98 1sxg n TYR 221 Ca 0.14 0.00 -0.27 0.00 -1.02 0.00 0.00 57.90 56.75 1sxg n TYR 221 Cb 0.94 -0.74 -0.02 0.00 -1.03 0.00 0.00 39.34 38.48 1sxg n TYR 221 CO 0.00 0.00 0.00 0.95 -1.02 0.00 0.00 176.86 176.79 1sxg s THR 222 N -2.37 5.04 0.13 -0.72 -4.23 -1.26 -4.45 115.64 107.79 1sxg s THR 222 Ca 0.00 -0.07 -0.19 0.00 -1.18 0.00 0.00 61.69 60.26 1sxg s THR 222 Cb 0.00 -3.77 -0.03 0.00 1.34 0.00 0.00 72.50 70.04 1sxg s THR 222 CO 0.00 -0.41 1.75 0.22 -0.54 0.00 0.00 174.62 175.65 1sxg h TYR 223 N 1.39 0.17 -0.48 3.99 3.20 -1.92 -2.45 116.97 120.87 1sxg h TYR 223 Ca -0.48 0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.35 1sxg h TYR 223 Cb 1.20 -0.04 -0.02 0.00 1.54 0.00 0.00 36.73 39.41 1sxg h TYR 223 CO 0.56 0.08 0.08 -0.44 -1.64 0.00 0.00 178.16 176.80 1sxg h ASP 224 N 0.21 0.70 0.22 -2.11 3.32 -1.94 0.13 116.42 116.96 1sxg h ASP 224 Ca 0.11 -0.13 0.00 0.00 0.02 0.00 0.00 57.03 57.02 1sxg h ASP 224 Cb 0.07 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.43 1sxg h ASP 224 CO -0.10 0.72 0.00 -1.54 -1.72 0.00 0.00 179.24 176.60 1sxg n SER 225 N -4.27 0.49 0.04 6.45 3.41 -0.95 -1.99 113.62 116.80 1sxg n SER 225 Ca 0.03 0.69 -0.21 0.00 -0.26 0.00 0.00 58.87 59.12 1sxg n SER 225 Cb 0.24 -0.77 -0.14 0.00 -0.26 0.00 0.00 64.21 63.28 1sxg n SER 225 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1sxg h GLY 226 N 0.74 0.33 0.95 5.00 0.00 -0.39 -2.83 103.07 106.88 1sxg h GLY 226 Ca 0.00 -0.84 -0.01 0.00 0.00 0.00 0.00 47.33 46.47 1sxg h GLY 226 CO 0.00 0.74 0.19 -2.22 0.00 0.00 0.00 176.54 175.25 1sxg h ILE 227 N -0.30 1.17 0.00 2.60 5.03 -1.00 -1.97 117.51 123.03 1sxg h ILE 227 Ca -0.23 -0.48 0.00 0.00 -0.12 0.00 0.00 64.86 64.03 1sxg h ILE 227 Cb 1.74 0.77 0.00 0.00 -3.03 0.00 0.00 36.82 36.30 1sxg h ILE 227 CO 0.11 0.18 0.00 -0.33 -0.68 0.00 0.00 178.15 177.44 1sxg h GLU 228 N 0.49 0.00 0.05 2.37 4.39 -1.50 -0.42 114.58 119.96 1sxg h GLU 228 Ca 0.13 0.00 -0.29 0.00 0.34 0.00 0.00 59.36 59.54 1sxg h GLU 228 Cb 0.12 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.74 1sxg h GLU 228 CO -0.02 0.00 -1.56 0.00 -1.16 0.00 0.00 179.01 176.27 1sxg h ALA 229 N 2.00 0.51 0.21 3.43 0.00 -1.10 -3.19 119.26 121.12 1sxg h ALA 229 Ca 0.00 -1.25 -0.32 0.00 0.00 0.00 0.00 54.91 53.34 1sxg h ALA 229 Cb 0.02 0.34 0.03 0.00 0.00 0.00 0.00 17.79 18.18 1sxg h ALA 229 CO 0.00 1.36 -1.44 0.28 0.00 0.00 0.00 179.25 179.45 1sxg h VAL 230 N 0.03 1.32 -0.90 0.00 2.07 -1.02 -2.79 116.25 114.96 1sxg h VAL 230 Ca -0.24 -2.79 0.09 0.00 0.82 0.00 0.00 66.70 64.58 1sxg h VAL 230 Cb 1.97 2.99 -0.06 0.00 -1.52 0.00 0.00 31.29 34.67 1sxg h VAL 230 CO 0.12 0.84 0.58 -0.33 0.02 0.00 0.00 177.57 178.79 1sxg h GLU 231 N 0.12 0.89 0.00 1.57 4.39 -1.25 1.20 114.58 121.50 1sxg h GLU 231 Ca -0.23 -0.05 -0.09 0.00 0.34 0.00 0.00 59.36 59.33 1sxg h GLU 231 Cb 2.11 -0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 30.55 1sxg h GLU 231 CO 0.25 0.59 -0.41 -0.22 -1.16 0.00 0.00 179.01 178.06 1sxg h LYS 232 N 0.92 0.00 0.00 2.33 3.64 -1.58 -3.23 116.57 118.65 1sxg h LYS 232 Ca 0.41 0.00 -0.25 0.00 -1.27 0.00 0.00 60.65 59.55 1sxg h LYS 232 Cb 0.37 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.15 1sxg h LYS 232 CO -0.18 0.41 -1.64 1.28 -2.27 0.00 0.00 179.45 177.05 1sxg n LEU 233 N -3.39 0.81 -0.57 5.20 4.77 0.12 -3.68 117.00 120.27 1sxg n LEU 233 Ca 0.01 0.38 0.00 0.00 -0.03 0.00 0.00 56.01 56.36 1sxg n LEU 233 Cb 0.59 0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.83 1sxg n LEU 233 CO 0.38 0.30 0.24 0.18 -1.33 0.00 0.00 177.39 177.16 1sxg n LEU 234 N -2.96 1.07 -0.38 2.23 4.77 0.39 -2.25 117.00 119.87 1sxg n LEU 234 Ca -0.15 -0.53 0.00 0.00 -0.03 0.00 0.00 56.01 55.30 1sxg n LEU 234 Cb 0.97 -0.42 0.00 0.00 -2.33 0.00 0.00 43.42 41.64 1sxg n LEU 234 CO 0.44 0.24 0.23 -0.62 -1.33 0.00 0.00 177.39 176.35 1sxg n GLU 235 N 0.15 0.00 -2.12 3.23 1.02 -1.24 -5.02 120.64 116.66 1sxg n GLU 235 Ca 0.00 -0.64 -0.27 0.00 -0.02 0.00 0.00 57.16 56.23 1sxg n GLU 235 Cb 0.24 -0.36 0.10 0.00 -0.02 0.00 0.00 31.44 31.39 1sxg n GLU 235 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 1sxg s GLU 236 N 0.00 1.85 0.05 3.49 2.56 -0.95 -4.99 118.70 120.70 1sxg s GLU 236 Ca 0.00 -0.26 -0.30 0.00 0.00 0.00 0.00 54.97 54.41 1sxg s GLU 236 Cb 0.00 -2.08 -0.18 0.00 2.00 0.00 0.00 34.13 33.88 1sxg s GLU 236 CO 0.00 -1.53 1.46 0.22 -0.56 0.00 0.00 175.26 174.85 1sxg h ASP 237 N -0.87 -0.63 -3.14 -1.70 1.82 -1.96 -3.35 116.42 106.58 1sxg h ASP 237 Ca -0.44 -0.03 -0.75 0.00 -0.39 0.00 0.00 57.03 55.42 1sxg h ASP 237 Cb 1.30 0.16 -0.25 0.00 0.68 0.00 0.00 39.33 41.22 1sxg h ASP 237 CO 0.56 -0.37 -0.26 -1.61 -1.61 0.00 0.00 179.24 175.96 1sxg s GLU 238 N -5.53 2.88 0.17 0.28 2.02 -1.26 -5.04 118.70 112.21 1sxg s GLU 238 Ca -0.16 -1.73 -0.32 0.00 0.02 0.00 0.00 54.97 52.79 1sxg s GLU 238 Cb 0.03 -4.22 -0.10 0.00 0.10 0.00 0.00 34.13 29.94 1sxg s GLU 238 CO 0.58 -1.30 1.57 0.15 0.02 0.00 0.00 175.26 176.27 1sxg s LYS 239 N 1.54 4.21 0.70 1.61 1.02 -1.26 -4.95 119.74 122.61 1sxg s LYS 239 Ca 0.04 2.36 -0.16 0.00 0.02 0.00 0.00 55.97 58.23 1sxg s LYS 239 Cb -0.29 -3.15 0.02 0.00 -0.52 0.00 0.00 37.83 33.89 1sxg s LYS 239 CO 0.02 -0.61 1.22 -2.14 -0.92 0.00 0.00 175.35 172.92 1sxg s PRO 240 N 1.11 2.34 0.05 -1.68 0.02 -1.26 -4.94 135.00 130.64 1sxg s PRO 240 Ca 0.70 1.81 0.22 0.00 0.02 0.00 0.00 61.00 63.75 1sxg s PRO 240 Cb -0.44 -1.85 -0.09 0.00 0.02 0.00 0.00 34.50 32.14 1sxg s PRO 240 CO 0.31 -1.69 0.87 0.25 -0.33 0.00 0.00 177.00 176.41 1sxg n THR 241 N -2.42 0.19 -3.76 0.99 -2.24 -0.19 -4.93 114.28 101.92 1sxg n THR 241 Ca 0.14 -0.35 -0.13 0.00 -2.27 0.00 0.00 64.05 61.44 1sxg n THR 241 Cb 0.50 0.12 -0.11 0.00 -2.10 0.00 0.00 70.33 68.74 1sxg n THR 241 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1sxg s ALA 242 N -3.30 -0.79 -0.04 6.98 0.00 -1.21 -1.15 121.76 122.26 1sxg s ALA 242 Ca 0.00 0.83 0.06 0.00 0.00 0.00 0.00 51.96 52.85 1sxg s ALA 242 Cb 0.14 -0.46 -0.02 0.00 0.00 0.00 0.00 23.12 22.78 1sxg s ALA 242 CO 0.83 -0.16 -0.22 0.42 0.00 0.00 0.00 175.76 176.63 1sxg s ILE 243 N -0.01 2.41 -0.26 0.00 -1.09 0.20 -0.59 121.20 121.87 1sxg s ILE 243 Ca -0.02 -0.96 -0.03 0.00 -2.23 0.00 0.00 60.65 57.41 1sxg s ILE 243 Cb -0.03 -1.89 0.02 0.00 -1.58 0.00 0.00 42.46 38.98 1sxg s ILE 243 CO 0.01 0.58 -0.02 0.12 -1.23 0.00 0.00 174.94 174.40 1sxg s PHE 244 N -0.53 3.08 -0.18 3.97 5.36 -0.89 -1.53 117.98 127.25 1sxg s PHE 244 Ca 0.07 -1.32 -0.06 0.00 -0.96 0.00 0.00 56.93 54.66 1sxg s PHE 244 Cb -0.11 -2.12 -0.03 0.00 -0.34 0.00 0.00 43.02 40.42 1sxg s PHE 244 CO 0.01 -0.66 0.03 0.08 -1.46 0.00 0.00 175.22 173.21 1sxg s VAL 245 N 1.39 4.41 -2.00 3.12 1.01 -0.34 -0.81 120.40 127.19 1sxg s VAL 245 Ca 0.02 -0.17 0.15 0.00 0.00 0.00 0.00 61.98 61.98 1sxg s VAL 245 Cb -0.16 -2.98 0.44 0.00 0.00 0.00 0.00 36.38 33.67 1sxg s VAL 245 CO -0.02 0.45 1.34 0.61 0.00 0.00 0.00 175.10 177.48 1sxg n GLY 246 N 3.74 -0.51 3.41 4.51 0.00 0.26 -3.45 105.19 113.16 1sxg n GLY 246 Ca -0.17 -0.10 -0.12 0.00 0.00 0.00 0.00 46.02 45.63 1sxg n GLY 246 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1sxg s THR 247 N -2.00 -0.00 0.18 2.61 2.01 -1.26 -4.57 115.64 112.60 1sxg s THR 247 Ca 0.23 0.01 -0.14 0.00 0.31 0.00 0.00 61.69 62.11 1sxg s THR 247 Cb 0.11 -0.73 0.11 0.00 0.01 0.00 0.00 72.50 72.00 1sxg s THR 247 CO 0.18 0.01 1.70 0.44 -0.69 0.00 0.00 174.62 176.26 1sxg h ASP 248 N 5.73 -0.08 -0.63 3.53 3.45 -1.70 0.31 116.42 127.04 1sxg h ASP 248 Ca -0.29 0.10 0.01 0.00 0.43 0.00 0.00 57.03 57.28 1sxg h ASP 248 Cb 1.18 0.15 -0.03 0.00 -0.56 0.00 0.00 39.33 40.07 1sxg h ASP 248 CO 0.20 -0.01 0.42 -0.08 -1.57 0.00 0.00 179.24 178.19 1sxg h GLU 249 N 0.18 0.80 0.04 3.56 4.81 -1.89 -0.68 114.58 121.40 1sxg h GLU 249 Ca 0.24 -0.05 -0.28 0.00 -0.13 0.00 0.00 59.36 59.14 1sxg h GLU 249 Cb 0.34 -0.18 0.02 0.00 0.63 0.00 0.00 28.75 29.56 1sxg h GLU 249 CO -0.35 0.53 -1.12 0.52 -0.73 0.00 0.00 179.01 177.86 1sxg h MET 250 N 0.82 0.68 -1.00 1.92 2.86 -1.54 -3.15 114.93 115.52 1sxg h MET 250 Ca 0.24 -0.79 0.13 0.00 -2.06 0.00 0.00 59.70 57.21 1sxg h MET 250 Cb -0.05 0.24 -0.09 0.00 0.06 0.00 0.00 31.60 31.76 1sxg h MET 250 CO -0.06 1.35 0.63 0.00 1.06 0.00 0.00 176.91 179.89 1sxg h ALA 251 N 0.37 1.54 -0.30 6.32 0.00 0.32 0.13 119.26 127.63 1sxg h ALA 251 Ca -0.15 0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.69 1sxg h ALA 251 Cb 1.78 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 19.35 1sxg h ALA 251 CO 0.22 0.20 -0.21 -0.07 0.00 0.00 0.00 179.25 179.39 1sxg h LEU 252 N 0.98 0.57 -1.42 0.00 4.07 -1.18 0.42 115.31 118.74 1sxg h LEU 252 Ca 0.50 -0.18 -0.06 0.00 0.08 0.00 0.00 57.88 58.22 1sxg h LEU 252 Cb 0.52 -0.15 -0.01 0.00 1.08 0.00 0.00 40.66 42.10 1sxg h LEU 252 CO -0.27 0.78 -0.28 1.23 -1.08 0.00 0.00 178.44 178.82 1sxg h GLY 253 N 1.00 0.00 1.72 0.83 0.00 -0.82 -0.79 103.07 105.00 1sxg h GLY 253 Ca 0.08 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 47.19 1sxg h GLY 253 CO 0.05 0.00 -0.94 -2.08 0.00 0.00 0.00 176.54 173.57 1sxg h VAL 254 N 0.00 1.48 -0.03 4.60 2.07 0.25 -1.78 116.25 122.84 1sxg h VAL 254 Ca -0.00 -2.65 -0.22 0.00 0.82 0.00 0.00 66.70 64.64 1sxg h VAL 254 Cb 0.58 2.52 0.02 0.00 -1.52 0.00 0.00 31.29 32.88 1sxg h VAL 254 CO 0.04 0.78 -0.85 0.40 0.02 0.00 0.00 177.57 177.95 1sxg h ILE 255 N 0.13 1.32 -0.06 4.57 2.04 -0.35 -2.12 117.51 123.03 1sxg h ILE 255 Ca -0.06 -2.13 -0.07 0.00 1.00 0.00 0.00 64.86 63.60 1sxg h ILE 255 Cb 1.58 2.35 0.00 0.00 -0.74 0.00 0.00 36.82 40.02 1sxg h ILE 255 CO 0.15 0.65 -0.25 0.45 0.00 0.00 0.00 178.15 179.15 1sxg h HIS 256 N 0.28 0.37 -0.88 1.37 3.86 -1.26 -1.80 115.15 117.09 1sxg h HIS 256 Ca -0.10 -0.16 0.09 0.00 -1.16 0.00 0.00 60.37 59.05 1sxg h HIS 256 Cb 1.51 -0.06 -0.07 0.00 1.06 0.00 0.00 27.41 29.85 1sxg h HIS 256 CO 0.11 0.87 0.53 0.78 0.86 0.00 0.00 177.93 181.08 1sxg h GLY 257 N -0.23 1.38 0.86 2.45 0.00 -1.44 0.46 103.07 106.55 1sxg h GLY 257 Ca -0.01 -0.36 -0.06 0.00 0.00 0.00 0.00 47.33 46.89 1sxg h GLY 257 CO 0.05 0.18 -0.07 0.00 0.00 0.00 0.00 176.54 176.70 1sxg h ALA 258 N 1.46 0.36 0.00 3.60 0.00 -1.39 -3.02 119.26 120.27 1sxg h ALA 258 Ca 0.42 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1sxg h ALA 258 Cb 0.34 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1sxg h ALA 258 CO -0.23 0.17 0.00 -0.56 0.00 0.00 0.00 179.25 178.63 1sxg h GLN 259 N 0.25 0.00 0.00 0.00 3.07 -0.78 -2.89 115.11 114.76 1sxg h GLN 259 Ca 0.07 0.00 -0.06 0.00 0.09 0.00 0.00 58.65 58.74 1sxg h GLN 259 Cb 0.54 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.09 1sxg h GLN 259 CO 0.03 0.00 -0.30 -0.44 0.09 0.00 0.00 178.83 178.21 1sxg h ASP 260 N 0.00 0.00 -0.20 0.06 3.32 0.04 -0.84 116.42 118.80 1sxg h ASP 260 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1sxg h ASP 260 Cb 0.73 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.28 1sxg h ASP 260 CO 0.00 0.30 0.00 0.54 -1.72 0.00 0.00 179.24 178.36 1sxg n ARG 261 N -3.92 1.49 0.00 3.56 5.12 -1.10 -4.88 116.66 116.92 1sxg n ARG 261 Ca -0.02 -0.75 0.00 0.00 -1.93 0.00 0.00 57.85 55.15 1sxg n ARG 261 Cb 0.37 -1.18 0.00 0.00 -1.16 0.00 0.00 32.46 30.49 1sxg n ARG 261 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1sxg n GLY 262 N 0.85 2.86 3.51 -0.13 0.00 -0.32 -5.03 105.19 106.94 1sxg n GLY 262 Ca 0.08 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.72 1sxg n GLY 262 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1sxg n LEU 263 N 0.00 1.68 -4.40 0.99 7.94 -1.18 -4.93 117.00 117.10 1sxg n LEU 263 Ca 0.00 0.76 -0.32 0.00 -1.11 0.00 0.00 56.01 55.34 1sxg n LEU 263 Cb 0.00 -1.24 -0.14 0.00 0.53 0.00 0.00 43.42 42.57 1sxg n LEU 263 CO 0.00 -2.68 -0.48 0.21 -1.11 0.00 0.00 177.39 173.33 1sxg s ASN 264 N -1.20 3.80 -0.12 1.96 3.84 -1.26 -3.90 114.94 118.06 1sxg s ASN 264 Ca 0.71 -0.30 -0.02 0.00 0.21 0.00 0.00 52.86 53.45 1sxg s ASN 264 Cb -0.44 -1.03 -0.03 0.00 -0.55 0.00 0.00 41.25 39.20 1sxg s ASN 264 CO 0.52 0.28 -0.04 -0.69 -2.79 0.00 0.00 177.10 174.38 1sxg s VAL 265 N -0.32 3.94 -2.70 -5.21 1.01 -1.26 0.41 120.40 116.26 1sxg s VAL 265 Ca 0.02 -0.36 0.24 0.00 0.00 0.00 0.00 61.98 61.89 1sxg s VAL 265 Cb -0.13 -2.69 0.35 0.00 0.00 0.00 0.00 36.38 33.92 1sxg s VAL 265 CO 0.02 0.54 1.43 -0.81 0.00 0.00 0.00 175.10 176.28 1sxg n PRO 266 N 2.98 2.15 0.24 2.72 -0.04 -1.26 -4.68 135.00 137.12 1sxg n PRO 266 Ca -0.18 -1.69 -0.16 0.00 -0.04 0.00 0.00 63.50 61.43 1sxg n PRO 266 Cb 0.53 -1.47 -0.08 0.00 -0.04 0.00 0.00 33.50 32.44 1sxg n PRO 266 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 1sxg h ASN 267 N 3.85 -0.68 1.06 3.54 2.35 -1.92 -3.16 115.58 120.61 1sxg h ASN 267 Ca 0.00 0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.79 1sxg h ASN 267 Cb 0.83 0.21 0.00 0.00 0.05 0.00 0.00 38.32 39.40 1sxg h ASN 267 CO 0.00 -0.42 -0.44 0.47 -1.65 0.00 0.00 177.43 175.39 1sxg n ASP 268 N -5.40 0.75 -3.48 5.81 9.92 0.17 -4.83 116.55 119.48 1sxg n ASP 268 Ca -0.10 0.26 0.01 0.00 -0.53 0.00 0.00 54.79 54.42 1sxg n ASP 268 Cb 0.30 -0.13 -0.04 0.00 -0.64 0.00 0.00 41.12 40.62 1sxg n ASP 268 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 1sxg s LEU 269 N -4.35 -0.91 -0.12 0.64 0.20 -0.72 -4.86 118.68 108.56 1sxg s LEU 269 Ca 0.07 1.14 -0.11 0.00 0.69 0.00 0.00 54.13 55.93 1sxg s LEU 269 Cb 0.13 2.00 -0.05 0.00 -0.43 0.00 0.00 46.19 47.84 1sxg s LEU 269 CO 0.69 -0.17 0.23 -1.61 -0.29 0.00 0.00 176.35 175.19 1sxg s GLU 270 N 2.72 3.87 0.00 1.98 2.02 -0.30 -4.24 118.70 124.75 1sxg s GLU 270 Ca -0.02 0.01 0.06 0.00 0.02 0.00 0.00 54.97 55.04 1sxg s GLU 270 Cb -0.10 -3.29 -0.02 0.00 0.10 0.00 0.00 34.13 30.82 1sxg s GLU 270 CO -0.18 0.54 -0.18 0.42 0.02 0.00 0.00 175.26 175.88 1sxg s ILE 271 N -0.42 1.45 -0.08 -1.63 1.09 -0.88 -0.63 121.20 120.10 1sxg s ILE 271 Ca 0.16 -0.90 0.01 0.00 -1.10 0.00 0.00 60.65 58.82 1sxg s ILE 271 Cb -0.13 -1.23 0.02 0.00 -1.06 0.00 0.00 42.46 40.06 1sxg s ILE 271 CO 0.05 0.32 -0.09 -0.63 -0.10 0.00 0.00 174.94 174.49 1sxg s ILE 272 N -0.55 0.99 0.00 2.92 1.01 -0.58 -4.34 121.20 120.65 1sxg s ILE 272 Ca 0.07 -0.34 0.00 0.00 0.00 0.00 0.00 60.65 60.37 1sxg s ILE 272 Cb -0.07 -0.97 0.00 0.00 0.01 0.00 0.00 42.46 41.43 1sxg s ILE 272 CO 0.00 0.34 0.00 0.61 0.00 0.00 0.00 174.94 175.89 1sxg n GLY 273 N 4.31 0.90 3.43 6.18 0.00 0.23 -1.19 105.19 119.05 1sxg n GLY 273 Ca -0.19 -1.91 -0.11 0.00 0.00 0.00 0.00 46.02 43.81 1sxg n GLY 273 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1sxg s PHE 274 N 0.96 -0.68 0.00 1.61 2.19 -1.22 -1.81 117.98 119.02 1sxg s PHE 274 Ca 0.00 1.53 0.00 0.00 0.33 0.00 0.00 56.93 58.79 1sxg s PHE 274 Cb 0.00 0.30 0.00 0.00 -1.31 0.00 0.00 43.02 42.01 1sxg s PHE 274 CO 0.00 -0.35 0.00 -0.25 1.83 0.00 0.00 175.22 176.45 1sxg n ASP 275 N 3.48 0.00 -3.12 6.13 8.00 0.10 -2.06 116.55 129.08 1sxg n ASP 275 Ca -0.17 0.00 -0.15 0.00 0.71 0.00 0.00 54.79 55.17 1sxg n ASP 275 Cb 0.56 0.00 0.08 0.00 -0.02 0.00 0.00 41.12 41.74 1sxg n ASP 275 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1sxg n ASN 276 N 0.31 -2.45 -3.61 -2.24 5.15 -1.14 -2.83 115.26 108.46 1sxg n ASN 276 Ca 0.00 -0.53 -0.30 0.00 -0.60 0.00 0.00 54.58 53.15 1sxg n ASN 276 Cb 0.00 -4.51 0.25 0.00 -0.53 0.00 0.00 39.78 34.99 1sxg n ASN 276 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 1sxg n THR 277 N -3.82 0.00 0.27 -0.44 -2.24 -1.26 -4.89 114.28 101.90 1sxg n THR 277 Ca -0.22 -0.55 0.15 0.00 -2.27 0.00 0.00 64.05 61.16 1sxg n THR 277 Cb 0.64 -1.27 0.70 0.00 -2.10 0.00 0.00 70.33 68.30 1sxg n THR 277 CO 0.00 0.00 0.00 0.08 -0.57 0.00 0.00 175.07 174.58 1sxg h ARG 278 N 0.00 0.00 0.00 -0.78 0.11 -1.94 -2.72 114.38 109.05 1sxg h ARG 278 Ca -0.42 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 59.66 1sxg h ARG 278 Cb 1.27 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.35 1sxg h ARG 278 CO 0.28 0.09 -0.00 -0.07 0.10 0.00 0.00 179.97 180.36 1sxg h LEU 279 N 0.00 0.00 -1.98 0.08 3.38 -1.96 -2.71 115.31 112.12 1sxg h LEU 279 Ca -0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1sxg h LEU 279 Cb 0.47 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.21 1sxg h LEU 279 CO 0.01 0.00 -0.08 0.28 0.09 0.00 0.00 178.44 178.75 1sxg h SER 280 N 0.00 0.00 -0.53 -0.43 0.02 -1.82 -0.86 113.55 109.92 1sxg h SER 280 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1sxg h SER 280 Cb 0.04 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.58 1sxg h SER 280 CO 0.00 0.08 0.00 0.35 -1.14 0.00 0.00 176.83 176.12 1sxg n THR 281 N -4.17 0.92 -1.18 -2.27 -2.24 -1.02 -1.15 114.28 103.17 1sxg n THR 281 Ca -0.03 -0.96 -0.05 0.00 -2.27 0.00 0.00 64.05 60.74 1sxg n THR 281 Cb 0.16 0.57 0.25 0.00 -2.10 0.00 0.00 70.33 69.20 1sxg n THR 281 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 1sxg n MET 282 N 1.16 2.79 -4.26 -0.78 2.00 -0.33 -4.96 117.12 112.74 1sxg n MET 282 Ca 0.18 -3.06 -0.14 0.00 0.00 0.00 0.00 57.70 54.68 1sxg n MET 282 Cb 0.53 -2.02 -0.10 0.00 0.00 0.00 0.00 33.22 31.63 1sxg n MET 282 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 175.97 176.11 1sxg s VAL 283 N -3.09 0.28 -0.12 2.03 -7.23 -1.24 -5.03 120.40 106.00 1sxg s VAL 283 Ca 0.50 -2.00 -0.04 0.00 -1.81 0.00 0.00 61.98 58.63 1sxg s VAL 283 Cb 0.42 -2.57 0.05 0.00 0.56 0.00 0.00 36.38 34.84 1sxg s VAL 283 CO 0.08 0.00 0.11 -0.13 -0.31 0.00 0.00 175.10 174.85 1sxg s ARG 284 N -4.10 0.03 0.62 4.82 1.81 -1.26 -3.02 118.95 117.85 1sxg s ARG 284 Ca 0.38 0.18 -0.17 0.00 -1.72 0.00 0.00 55.73 54.40 1sxg s ARG 284 Cb 0.07 -1.15 -0.02 0.00 -0.45 0.00 0.00 34.95 33.41 1sxg s ARG 284 CO 0.13 -0.52 1.13 -1.25 -0.68 0.00 0.00 175.30 174.12 1sxg s PRO 285 N 2.19 2.96 0.33 3.54 0.04 -1.26 -5.01 135.00 137.79 1sxg s PRO 285 Ca 0.04 1.54 -0.29 0.00 0.04 0.00 0.00 61.00 62.33 1sxg s PRO 285 Cb -0.14 -1.96 -0.11 0.00 0.04 0.00 0.00 34.50 32.33 1sxg s PRO 285 CO -0.07 -1.15 1.45 -0.65 0.04 0.00 0.00 177.00 176.62 1sxg s GLN 286 N -3.72 4.19 0.20 4.56 -0.21 -1.17 -4.51 119.66 119.01 1sxg s GLN 286 Ca 0.71 2.45 -0.30 0.00 0.02 0.00 0.00 55.36 58.24 1sxg s GLN 286 Cb -0.23 -3.02 -0.08 0.00 1.00 0.00 0.00 33.01 30.67 1sxg s GLN 286 CO 0.36 -0.45 1.09 -1.17 -2.12 0.00 0.00 175.29 173.00 1sxg s LEU 287 N -1.53 4.51 -0.32 2.90 2.96 -0.30 -0.86 118.68 126.04 1sxg s LEU 287 Ca 0.54 2.13 -0.23 0.00 -0.22 0.00 0.00 54.13 56.35 1sxg s LEU 287 Cb -0.44 -3.61 0.00 0.00 0.50 0.00 0.00 46.19 42.64 1sxg s LEU 287 CO 0.56 -0.19 0.78 -0.89 -1.32 0.00 0.00 176.35 175.28 1sxg s THR 288 N -0.49 4.79 0.18 3.68 2.01 -1.26 -4.50 115.64 120.04 1sxg s THR 288 Ca 0.48 1.09 0.07 0.00 0.31 0.00 0.00 61.69 63.64 1sxg s THR 288 Cb -0.30 -4.15 -0.04 0.00 0.01 0.00 0.00 72.50 68.01 1sxg s THR 288 CO 0.36 -0.29 -0.15 -0.55 -0.69 0.00 0.00 174.62 173.30 1sxg s SER 289 N 1.68 2.46 -0.14 3.53 0.15 -1.01 0.78 113.70 121.15 1sxg s SER 289 Ca 0.32 -0.95 -0.28 0.00 0.70 0.00 0.00 55.95 55.73 1sxg s SER 289 Cb -0.14 -0.12 -0.01 0.00 -1.71 0.00 0.00 66.02 64.04 1sxg s SER 289 CO 0.14 -0.14 0.97 -0.69 1.20 0.00 0.00 173.24 174.71 1sxg s VAL 290 N -2.64 4.79 -0.01 4.45 1.01 -0.75 -1.59 120.40 125.66 1sxg s VAL 290 Ca 0.18 1.94 -0.30 0.00 0.00 0.00 0.00 61.98 63.80 1sxg s VAL 290 Cb -0.02 -4.27 -0.04 0.00 0.00 0.00 0.00 36.38 32.04 1sxg s VAL 290 CO 0.06 -0.02 1.24 -0.69 0.00 0.00 0.00 175.10 175.69 1sxg s VAL 291 N 2.23 4.08 -0.24 2.92 1.01 0.17 0.00 120.40 130.58 1sxg s VAL 291 Ca 0.45 1.45 0.02 0.00 0.00 0.00 0.00 61.98 63.90 1sxg s VAL 291 Cb -0.17 -3.93 0.05 0.00 0.00 0.00 0.00 36.38 32.33 1sxg s VAL 291 CO 0.15 0.03 -0.11 -1.58 0.00 0.00 0.00 175.10 173.58 1sxg s GLN 292 N 1.92 2.25 -0.70 2.72 0.74 -1.13 -3.74 119.66 121.71 1sxg s GLN 292 Ca 0.58 -1.21 -0.25 0.00 0.05 0.00 0.00 55.36 54.53 1sxg s GLN 292 Cb -0.27 -2.79 -0.21 0.00 1.10 0.00 0.00 33.01 30.84 1sxg s GLN 292 CO 0.25 -0.52 1.86 -0.35 -0.55 0.00 0.00 175.29 175.98 1sxg n PRO 293 N 4.50 1.00 -0.34 1.67 -0.04 -1.26 -4.78 135.00 135.74 1sxg n PRO 293 Ca -0.15 -1.76 0.20 0.00 -0.04 0.00 0.00 63.50 61.76 1sxg n PRO 293 Cb 0.43 -3.10 0.43 0.00 -0.04 0.00 0.00 33.50 31.22 1sxg n PRO 293 CO 0.00 0.00 0.00 0.52 -0.04 0.00 0.00 175.50 175.98 1sxg h MET 294 N 9.20 0.47 -0.01 0.54 2.86 -1.95 -0.55 114.93 125.49 1sxg h MET 294 Ca 0.29 -0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.90 1sxg h MET 294 Cb 0.77 -0.11 -0.00 0.00 0.06 0.00 0.00 31.60 32.32 1sxg h MET 294 CO 1.73 0.31 -0.01 -0.92 1.06 0.00 0.00 176.91 179.08 1sxg h TYR 295 N 0.49 0.03 -0.94 -0.22 5.03 -1.94 -2.03 116.97 117.38 1sxg h TYR 295 Ca 0.67 -0.01 0.11 0.00 2.58 0.00 0.00 58.73 62.08 1sxg h TYR 295 Cb 1.40 -0.01 -0.08 0.00 1.55 0.00 0.00 36.73 39.59 1sxg h TYR 295 CO -0.01 0.46 0.57 -0.44 -1.32 0.00 0.00 178.16 177.42 1sxg h ASP 296 N -0.41 0.84 -0.20 -2.11 3.45 -1.58 0.90 116.42 117.32 1sxg h ASP 296 Ca 0.00 0.05 -0.00 0.00 0.43 0.00 0.00 57.03 57.50 1sxg h ASP 296 Cb 0.45 -0.12 -0.01 0.00 -0.56 0.00 0.00 39.33 39.09 1sxg h ASP 296 CO 0.00 0.46 0.10 0.40 -1.57 0.00 0.00 179.24 178.64 1sxg h ILE 297 N 0.93 1.11 0.01 0.35 2.04 -1.05 0.26 117.51 121.16 1sxg h ILE 297 Ca 0.46 -0.31 -0.00 0.00 1.00 0.00 0.00 64.86 66.00 1sxg h ILE 297 Cb 0.42 0.96 0.00 0.00 -0.74 0.00 0.00 36.82 37.46 1sxg h ILE 297 CO -0.25 0.11 -0.01 1.23 0.00 0.00 0.00 178.15 179.23 1sxg h GLY 298 N 0.21 -0.02 -0.26 5.37 0.00 -0.79 0.00 103.07 107.57 1sxg h GLY 298 Ca 0.07 0.01 0.08 0.00 0.00 0.00 0.00 47.33 47.49 1sxg h GLY 298 CO -0.01 -0.01 -0.36 0.00 0.00 0.00 0.00 176.54 176.16 1sxg h ALA 299 N 0.89 -0.23 -0.09 3.60 0.00 -0.55 0.11 119.26 122.99 1sxg h ALA 299 Ca -0.00 0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.91 1sxg h ALA 299 Cb 0.09 0.78 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 1sxg h ALA 299 CO 0.00 -0.76 -0.41 0.28 0.00 0.00 0.00 179.25 178.36 1sxg h VAL 300 N -0.26 1.31 -0.29 0.00 2.07 -0.40 -1.74 116.25 116.94 1sxg h VAL 300 Ca 0.17 -1.50 -0.18 0.00 0.82 0.00 0.00 66.70 66.01 1sxg h VAL 300 Cb 0.56 1.70 0.00 0.00 -1.52 0.00 0.00 31.29 32.02 1sxg h VAL 300 CO -0.58 0.45 -0.55 0.00 0.02 0.00 0.00 177.57 176.91 1sxg h ALA 301 N 1.41 0.48 -0.21 1.67 0.00 -0.04 -0.10 119.26 122.47 1sxg h ALA 301 Ca 0.02 -0.51 -0.03 0.00 0.00 0.00 0.00 54.91 54.38 1sxg h ALA 301 Cb 0.80 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 1sxg h ALA 301 CO 0.06 0.68 0.03 0.52 0.00 0.00 0.00 179.25 180.54 1sxg h MET 302 N 0.66 0.36 -0.13 0.00 2.86 -0.70 0.34 114.93 118.31 1sxg h MET 302 Ca 0.01 -0.10 0.04 0.00 -2.06 0.00 0.00 59.70 57.60 1sxg h MET 302 Cb 1.15 -0.04 -0.05 0.00 0.06 0.00 0.00 31.60 32.72 1sxg h MET 302 CO 0.12 0.52 -0.18 -0.09 1.06 0.00 0.00 176.91 178.34 1sxg h ARG 303 N 0.15 -0.21 -0.29 1.72 2.43 -1.27 0.80 114.38 117.71 1sxg h ARG 303 Ca 0.06 0.01 0.04 0.00 -0.81 0.00 0.00 59.98 59.29 1sxg h ARG 303 Cb 0.34 0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 29.89 1sxg h ARG 303 CO 0.01 -0.14 0.04 1.25 -1.51 0.00 0.00 179.97 179.62 1sxg h LEU 304 N -0.22 -0.02 -0.80 3.80 5.85 -0.78 -1.94 115.31 121.19 1sxg h LEU 304 Ca 0.10 0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.85 1sxg h LEU 304 Cb 0.36 0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.43 1sxg h LEU 304 CO -0.26 0.02 0.43 0.25 -0.34 0.00 0.00 178.44 178.54 1sxg h LEU 305 N 0.14 1.01 -0.81 2.25 5.85 0.94 -2.43 115.31 122.25 1sxg h LEU 305 Ca 0.13 -0.10 0.01 0.00 0.84 0.00 0.00 57.88 58.76 1sxg h LEU 305 Cb 0.15 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 40.88 1sxg h LEU 305 CO -0.19 0.83 0.53 0.74 -0.34 0.00 0.00 178.44 180.01 1sxg h THR 306 N 1.12 1.21 -0.76 1.05 2.02 0.11 0.87 112.91 118.52 1sxg h THR 306 Ca 0.28 -0.40 0.02 0.00 0.77 0.00 0.00 66.41 67.08 1sxg h THR 306 Cb 0.05 0.03 -0.04 0.00 -1.74 0.00 0.00 68.15 66.44 1sxg h THR 306 CO -0.04 0.21 0.50 0.11 0.37 0.00 0.00 175.52 176.66 1sxg h LYS 307 N 1.10 0.96 -0.16 6.66 1.57 -0.90 -1.93 116.57 123.88 1sxg h LYS 307 Ca 0.30 -0.06 -0.12 0.00 -1.87 0.00 0.00 60.65 58.90 1sxg h LYS 307 Cb -0.12 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 31.97 1sxg h LYS 307 CO -0.06 0.64 -0.43 1.88 -0.57 0.00 0.00 179.45 180.91 1sxg h TYR 308 N 0.99 0.43 0.00 -1.35 -1.99 -1.04 -0.33 116.97 113.68 1sxg h TYR 308 Ca 0.29 -0.12 0.00 0.00 2.00 0.00 0.00 58.73 60.90 1sxg h TYR 308 Cb -0.05 -0.09 0.00 0.00 2.00 0.00 0.00 36.73 38.58 1sxg h TYR 308 CO -0.03 0.73 0.00 -1.33 -0.00 0.00 0.00 178.16 177.54 1sxg n MET 309 N -4.01 0.80 -0.23 4.88 2.81 0.23 -2.92 117.12 118.68 1sxg n MET 309 Ca -0.02 0.00 0.01 0.00 -1.81 0.00 0.00 57.70 55.89 1sxg n MET 309 Cb 0.51 -1.18 0.02 0.00 -0.71 0.00 0.00 33.22 31.85 1sxg n MET 309 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1sxg n ASN 310 N -0.68 0.54 -4.10 7.83 5.03 -0.24 -5.01 115.26 118.63 1sxg n ASN 310 Ca 0.07 -1.83 -0.34 0.00 0.87 0.00 0.00 54.58 53.34 1sxg n ASN 310 Cb 0.03 -0.15 -0.03 0.00 -1.02 0.00 0.00 39.78 38.62 1sxg n ASN 310 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 1sxg n LYS 311 N -0.25 -3.08 -4.04 3.52 5.02 -0.67 -4.92 118.16 113.72 1sxg n LYS 311 Ca 0.02 0.37 -0.35 0.00 -2.02 0.00 0.00 58.31 56.33 1sxg n LYS 311 Cb 0.58 -5.09 -0.09 0.00 -0.02 0.00 0.00 35.03 30.41 1sxg n LYS 311 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1sxg s GLU 312 N -6.79 3.80 1.06 1.97 2.02 -0.57 -5.05 118.70 115.14 1sxg s GLU 312 Ca 0.70 -0.33 -0.14 0.00 0.02 0.00 0.00 54.97 55.22 1sxg s GLU 312 Cb -0.38 -3.16 0.15 0.00 0.10 0.00 0.00 34.13 30.84 1sxg s GLU 312 CO 0.86 0.38 0.59 0.25 0.02 0.00 0.00 175.26 177.35 1sxg n THR 313 N 3.20 0.00 -3.49 3.63 -2.24 -1.26 -4.52 114.28 109.60 1sxg n THR 313 Ca -0.17 -0.26 -0.25 0.00 -2.27 0.00 0.00 64.05 61.10 1sxg n THR 313 Cb 0.53 -0.79 -0.13 0.00 -2.10 0.00 0.00 70.33 67.84 1sxg n THR 313 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1sxg s VAL 314 N -2.40 -0.15 -0.18 2.28 1.01 -1.26 -5.00 120.40 114.71 1sxg s VAL 314 Ca 0.62 -0.76 -0.04 0.00 0.00 0.00 0.00 61.98 61.80 1sxg s VAL 314 Cb -0.20 -0.98 -0.07 0.00 0.00 0.00 0.00 36.38 35.13 1sxg s VAL 314 CO 0.65 -0.67 2.91 -0.90 0.00 0.00 0.00 175.10 177.09 1sxg n ASP 315 N 5.15 5.79 -2.66 3.32 5.75 -1.26 -4.14 116.55 128.51 1sxg n ASP 315 Ca -0.03 -2.77 -0.02 0.00 -0.01 0.00 0.00 54.79 51.96 1sxg n ASP 315 Cb 0.43 -1.27 0.03 0.00 -1.03 0.00 0.00 41.12 39.28 1sxg n ASP 315 CO 0.00 0.00 0.00 -0.44 -0.11 0.00 0.00 177.20 176.65 1sxg s SER 316 N 1.26 -0.07 -0.03 -1.12 0.01 -1.26 -5.09 113.70 107.41 1sxg s SER 316 Ca 0.50 -0.07 -0.11 0.00 1.31 0.00 0.00 55.95 57.58 1sxg s SER 316 Cb 0.28 0.09 -0.06 0.00 0.21 0.00 0.00 66.02 66.54 1sxg s SER 316 CO -0.07 -0.00 0.52 -1.28 0.41 0.00 0.00 173.24 172.82 1sxg h SER 317 N 4.29 -0.32 -3.66 2.44 0.87 -1.99 -3.43 113.55 111.75 1sxg h SER 317 Ca -0.03 0.01 -0.66 0.00 -1.23 0.00 0.00 61.79 59.89 1sxg h SER 317 Cb 1.19 0.08 -0.22 0.00 -0.44 0.00 0.00 62.40 63.01 1sxg h SER 317 CO -0.13 0.02 -0.60 -0.51 -0.53 0.00 0.00 176.83 175.08 1sxg s ILE 318 N -2.82 4.44 -0.10 2.23 -1.16 -1.26 -3.25 121.20 119.28 1sxg s ILE 318 Ca -0.06 -0.23 -0.03 0.00 -0.51 0.00 0.00 60.65 59.82 1sxg s ILE 318 Cb 0.01 -3.13 -0.03 0.00 0.61 0.00 0.00 42.46 39.91 1sxg s ILE 318 CO 0.17 0.25 0.03 -0.69 -2.81 0.00 0.00 174.94 171.90 1sxg s VAL 319 N 1.62 4.60 -0.42 4.00 1.01 -0.63 -4.94 120.40 125.63 1sxg s VAL 319 Ca 0.06 -0.14 0.04 0.00 0.00 0.00 0.00 61.98 61.94 1sxg s VAL 319 Cb -0.16 -2.96 0.12 0.00 0.00 0.00 0.00 36.38 33.38 1sxg s VAL 319 CO 0.05 0.60 0.16 -1.10 0.00 0.00 0.00 175.10 174.80 1sxg s GLN 320 N -0.81 1.63 0.59 2.72 -0.21 -1.26 -0.55 119.66 121.77 1sxg s GLN 320 Ca 0.13 -2.16 -0.18 0.00 0.02 0.00 0.00 55.36 53.16 1sxg s GLN 320 Cb -0.12 -3.12 -0.04 0.00 1.00 0.00 0.00 33.01 30.73 1sxg s GLN 320 CO 0.03 -1.03 1.14 -0.51 -2.12 0.00 0.00 175.29 172.79 1sxg s LEU 321 N 0.39 3.62 0.60 2.90 1.43 0.13 -4.84 118.68 122.91 1sxg s LEU 321 Ca 0.14 2.17 -0.20 0.00 -1.03 0.00 0.00 54.13 55.21 1sxg s LEU 321 Cb -0.22 -4.58 -0.03 0.00 0.03 0.00 0.00 46.19 41.39 1sxg s LEU 321 CO -0.05 -1.42 1.31 -2.84 0.23 0.00 0.00 176.35 173.57 1sxg s PRO 322 N -3.53 2.87 0.42 1.29 0.02 -1.26 -4.28 135.00 130.53 1sxg s PRO 322 Ca 0.72 2.10 0.04 0.00 0.02 0.00 0.00 61.00 63.88 1sxg s PRO 322 Cb -0.24 -2.04 -0.04 0.00 0.02 0.00 0.00 34.50 32.20 1sxg s PRO 322 CO 0.32 -1.36 0.04 -3.38 -0.33 0.00 0.00 177.00 172.29 1sxg s HIS 323 N -1.38 2.03 0.14 6.54 -3.43 -1.26 -4.70 115.29 113.24 1sxg s HIS 323 Ca 0.77 -0.96 -0.24 0.00 -0.80 0.00 0.00 55.06 53.84 1sxg s HIS 323 Cb -0.38 -1.49 0.07 0.00 -1.43 0.00 0.00 32.58 29.36 1sxg s HIS 323 CO 0.42 0.12 0.65 0.50 -2.00 0.00 0.00 174.74 174.43 1sxg s ARG 324 N -3.80 1.24 -0.21 -0.38 3.52 -1.25 -5.01 118.95 113.07 1sxg s ARG 324 Ca 0.23 -0.47 -0.08 0.00 -0.13 0.00 0.00 55.73 55.29 1sxg s ARG 324 Cb 0.05 0.56 -0.04 0.00 -1.56 0.00 0.00 34.95 33.97 1sxg s ARG 324 CO 0.12 -0.54 0.08 0.42 -0.81 0.00 0.00 175.30 174.56 1sxg s ILE 325 N -3.67 4.76 -0.42 4.11 1.09 -1.26 0.46 121.20 126.27 1sxg s ILE 325 Ca 0.02 -0.04 -0.18 0.00 -1.10 0.00 0.00 60.65 59.35 1sxg s ILE 325 Cb -0.01 -3.17 0.02 0.00 -1.06 0.00 0.00 42.46 38.23 1sxg s ILE 325 CO -0.12 0.41 0.50 -0.70 -0.10 0.00 0.00 174.94 174.94 1sxg s GLU 326 N 0.77 3.20 0.02 2.79 2.56 -0.62 -4.92 118.70 122.50 1sxg s GLU 326 Ca 0.04 -0.59 -0.20 0.00 0.00 0.00 0.00 54.97 54.22 1sxg s GLU 326 Cb -0.13 -3.94 -0.06 0.00 2.00 0.00 0.00 34.13 32.00 1sxg s GLU 326 CO 0.02 -0.87 0.59 -0.06 -0.56 0.00 0.00 175.26 174.38 1sxg s PHE 327 N 2.35 3.72 0.00 5.30 0.40 -1.26 -2.41 117.98 126.07 1sxg s PHE 327 Ca 0.16 1.23 0.00 0.00 -0.60 0.00 0.00 56.93 57.71 1sxg s PHE 327 Cb -0.16 -2.59 0.00 0.00 0.51 0.00 0.00 43.02 40.78 1sxg s PHE 327 CO 0.15 0.41 0.00 0.54 0.70 0.00 0.00 175.22 177.02 1sxg n ARG 328 N 2.47 0.74 0.00 0.44 1.74 -1.26 -4.97 116.66 115.82 1sxg n ARG 328 Ca -0.08 0.00 0.11 0.00 -0.77 0.00 0.00 57.85 57.11 1sxg n ARG 328 Cb 0.51 0.00 -0.02 0.00 -1.02 0.00 0.00 32.46 31.92 1sxg n ARG 328 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1sxg n GLN 329 N 0.00 0.42 0.00 5.56 3.00 -0.75 -4.09 117.38 121.52 1sxg n GLN 329 Ca 0.00 -0.34 0.10 0.00 -0.01 0.00 0.00 57.00 56.75 1sxg n GLN 329 Cb 0.00 -1.49 0.57 0.00 0.00 0.00 0.00 30.24 29.32 1sxg n GLN 329 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.06 175.93 1sxg n SER 330 N -0.99 0.00 -4.32 1.08 3.41 -0.04 -4.06 113.62 108.70 1sxg n SER 330 Ca 0.06 -0.39 -0.19 0.00 -0.26 0.00 0.00 58.87 58.09 1sxg n SER 330 Cb 0.37 -0.11 -0.10 0.00 -0.26 0.00 0.00 64.21 64.11 1sxg n SER 330 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1sxg s THR 331 N -2.23 1.65 -2.00 6.66 -1.32 -1.26 -2.07 115.64 115.08 1sxg s THR 331 Ca 0.26 -2.07 0.10 0.00 -1.21 0.00 0.00 61.69 58.78 1sxg s THR 331 Cb 0.14 -1.91 0.28 0.00 -1.51 0.00 0.00 72.50 69.50 1sxg s THR 331 CO 0.27 -0.53 1.04 1.17 -2.21 0.00 0.00 174.62 174.36