#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xta h PHE 4 N 0.00 -0.07 -0.82 2.11 3.57 -1.96 -3.09 116.94 116.67 1xta h PHE 4 Ca 0.00 -0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.55 1xta h PHE 4 Cb 0.00 0.02 -0.05 0.00 2.79 0.00 0.00 35.95 38.71 1xta h PHE 4 CO 0.00 0.08 0.54 -0.91 -2.23 0.00 0.00 178.31 175.79 1xta h ASN 5 N -0.22 0.82 0.22 0.41 2.35 -2.01 -2.05 115.58 115.10 1xta h ASN 5 Ca -0.01 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.73 1xta h ASN 5 Cb 0.19 -0.18 -0.00 0.00 0.05 0.00 0.00 38.32 38.38 1xta h ASN 5 CO 0.01 0.54 -0.07 0.28 -1.65 0.00 0.00 177.43 176.55 1xta h SER 6 N 0.94 0.00 -0.56 5.81 0.02 -2.00 -2.48 113.55 115.27 1xta h SER 6 Ca 0.35 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.30 1xta h SER 6 Cb 0.17 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.71 1xta h SER 6 CO -0.12 0.07 0.00 -0.62 -1.14 0.00 0.00 176.83 175.02 1xta n GLU 7 N -3.69 3.18 -1.72 3.45 -0.58 -0.77 -4.95 120.64 115.56 1xta n GLU 7 Ca -0.02 -2.39 -0.42 0.00 -0.42 0.00 0.00 57.16 53.91 1xta n GLU 7 Cb 0.17 -1.75 -0.03 0.00 -0.57 0.00 0.00 31.44 29.26 1xta n GLU 7 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1xta s SER 8 N -0.85 6.40 0.00 1.62 0.15 -0.94 -4.78 113.70 115.30 1xta s SER 8 Ca 0.43 2.81 0.12 0.00 0.70 0.00 0.00 55.95 60.01 1xta s SER 8 Cb 0.27 -2.58 0.63 0.00 -1.71 0.00 0.00 66.02 62.63 1xta s SER 8 CO 0.22 -0.99 1.41 0.35 1.20 0.00 0.00 173.24 175.43 1xta n THR 9 N 4.38 0.04 1.15 6.45 -2.24 -1.26 -3.24 114.28 119.56 1xta n THR 9 Ca 0.17 -0.06 0.13 0.00 -2.27 0.00 0.00 64.05 62.03 1xta n THR 9 Cb 0.37 -0.10 0.50 0.00 -2.10 0.00 0.00 70.33 69.00 1xta n THR 9 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1xta n ARG 10 N -0.52 0.26 -3.32 -0.78 1.74 -1.26 -4.61 116.66 108.17 1xta n ARG 10 Ca 0.09 -0.09 -0.38 0.00 -0.77 0.00 0.00 57.85 56.70 1xta n ARG 10 Cb 0.08 -1.50 -0.06 0.00 -1.02 0.00 0.00 32.46 29.96 1xta n ARG 10 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1xta s ARG 11 N -2.80 4.27 0.28 5.56 0.52 -1.20 -4.98 118.95 120.60 1xta s ARG 11 Ca 0.19 0.50 0.01 0.00 -0.52 0.00 0.00 55.73 55.91 1xta s ARG 11 Cb 0.19 -3.39 0.56 0.00 0.52 0.00 0.00 34.95 32.84 1xta s ARG 11 CO 0.56 0.28 1.83 0.87 0.02 0.00 0.00 175.30 178.86 1xta h LYS 12 N 6.21 0.94 -0.72 3.54 1.79 -1.92 -1.89 116.57 124.53 1xta h LYS 12 Ca -0.43 -0.06 -0.00 0.00 -2.18 0.00 0.00 60.65 57.98 1xta h LYS 12 Cb 1.19 -0.21 -0.03 0.00 -1.58 0.00 0.00 32.23 31.59 1xta h LYS 12 CO 0.72 0.62 0.43 -0.22 -1.08 0.00 0.00 179.45 179.93 1xta h LYS 13 N 0.97 0.97 -0.26 3.15 3.64 -1.96 -1.15 116.57 121.93 1xta h LYS 13 Ca 0.50 -0.08 -0.17 0.00 -1.27 0.00 0.00 60.65 59.63 1xta h LYS 13 Cb 0.52 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 32.14 1xta h LYS 13 CO -0.28 0.68 -0.49 -0.22 -2.27 0.00 0.00 179.45 176.87 1xta h LYS 14 N 0.98 0.79 -0.80 1.90 1.63 -1.65 -2.10 116.57 117.33 1xta h LYS 14 Ca 0.26 -0.50 0.01 0.00 -0.85 0.00 0.00 60.65 59.56 1xta h LYS 14 Cb -0.04 0.06 -0.04 0.00 -0.60 0.00 0.00 32.23 31.61 1xta h LYS 14 CO -0.05 1.13 0.52 1.96 -3.45 0.00 0.00 179.45 179.57 1xta h GLN 15 N 0.54 1.06 -0.57 1.90 4.20 -1.08 -1.17 115.11 120.00 1xta h GLN 15 Ca 0.01 -0.07 -0.01 0.00 0.06 0.00 0.00 58.65 58.65 1xta h GLN 15 Cb 1.10 -0.24 -0.03 0.00 0.30 0.00 0.00 27.48 28.62 1xta h GLN 15 CO 0.11 0.71 0.33 -0.22 -0.67 0.00 0.00 178.83 179.09 1xta h LYS 16 N 1.08 0.78 0.08 1.46 3.64 -1.09 -0.54 116.57 121.98 1xta h LYS 16 Ca 0.29 -0.08 0.01 0.00 -1.27 0.00 0.00 60.65 59.60 1xta h LYS 16 Cb -0.11 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 31.53 1xta h LYS 16 CO -0.06 0.58 -0.14 1.49 -2.27 0.00 0.00 179.45 179.05 1xta h GLU 17 N 0.77 -0.26 -0.18 1.90 4.81 -0.80 0.40 114.58 121.21 1xta h GLU 17 Ca 0.20 0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.47 1xta h GLU 17 Cb 0.01 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.43 1xta h GLU 17 CO -0.04 -0.17 0.05 0.82 -0.73 0.00 0.00 179.01 178.94 1xta h ILE 18 N -0.27 0.94 -0.25 2.32 2.04 -1.01 -0.46 117.51 120.83 1xta h ILE 18 Ca 0.02 -0.05 -0.14 0.00 1.00 0.00 0.00 64.86 65.69 1xta h ILE 18 Cb 0.29 0.79 -0.00 0.00 -0.74 0.00 0.00 36.82 37.16 1xta h ILE 18 CO -0.08 0.03 -0.40 0.58 0.00 0.00 0.00 178.15 178.28 1xta h VAL 19 N 0.14 1.31 -0.55 1.67 2.07 -0.96 -2.13 116.25 117.79 1xta h VAL 19 Ca 0.08 -1.60 -0.05 0.00 0.82 0.00 0.00 66.70 65.95 1xta h VAL 19 Cb 0.06 1.72 -0.03 0.00 -1.52 0.00 0.00 31.29 31.53 1xta h VAL 19 CO -0.09 0.51 0.15 0.44 0.02 0.00 0.00 177.57 178.59 1xta h ASP 20 N 0.43 0.78 -0.21 0.57 3.32 -0.10 -0.88 116.42 120.34 1xta h ASP 20 Ca 0.02 -0.13 -0.07 0.00 0.02 0.00 0.00 57.03 56.87 1xta h ASP 20 Cb 0.99 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 40.34 1xta h ASP 20 CO 0.09 0.75 -0.13 0.25 -1.72 0.00 0.00 179.24 178.49 1xta h LEU 21 N 0.81 0.48 -0.29 1.55 5.85 -1.04 -0.52 115.31 122.15 1xta h LEU 21 Ca 0.18 -0.43 0.03 0.00 0.84 0.00 0.00 57.88 58.50 1xta h LEU 21 Cb 0.28 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.14 1xta h LEU 21 CO -0.00 0.81 0.09 0.45 -0.34 0.00 0.00 178.44 179.44 1xta h HIS 22 N 0.16 0.16 -0.17 1.25 3.86 -1.12 -0.91 115.15 118.37 1xta h HIS 22 Ca 0.04 0.02 -0.06 0.00 -1.16 0.00 0.00 60.37 59.21 1xta h HIS 22 Cb 0.64 -0.03 -0.01 0.00 1.06 0.00 0.00 27.41 29.06 1xta h HIS 22 CO 0.07 0.07 -0.14 -0.91 0.86 0.00 0.00 177.93 177.88 1xta h ASN 23 N 0.21 0.27 -0.42 2.45 2.35 -1.09 -0.54 115.58 118.82 1xta h ASN 23 Ca 0.13 -0.06 -0.10 0.00 -0.55 0.00 0.00 56.30 55.72 1xta h ASN 23 Cb 0.10 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.39 1xta h ASN 23 CO -0.14 0.44 -0.12 -1.28 -1.65 0.00 0.00 177.43 174.68 1xta h SER 24 N 0.26 0.83 0.28 5.81 0.87 -0.45 -0.07 113.55 121.07 1xta h SER 24 Ca 0.05 -0.37 -0.10 0.00 -1.23 0.00 0.00 61.79 60.14 1xta h SER 24 Cb 0.41 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 62.14 1xta h SER 24 CO 0.02 1.01 -0.41 -0.07 -0.53 0.00 0.00 176.83 176.85 1xta h LEU 25 N 0.63 0.19 -0.66 2.23 3.38 -0.80 -1.81 115.31 118.48 1xta h LEU 25 Ca 0.10 -0.08 -0.14 0.00 0.09 0.00 0.00 57.88 57.85 1xta h LEU 25 Cb 0.65 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.34 1xta h LEU 25 CO 0.04 0.59 -0.64 0.03 0.09 0.00 0.00 178.44 178.55 1xta h ARG 26 N 0.15 0.11 0.00 1.13 3.08 -0.84 -2.95 114.38 115.07 1xta h ARG 26 Ca 0.01 -0.09 -0.09 0.00 0.07 0.00 0.00 59.98 59.89 1xta h ARG 26 Cb 0.80 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.85 1xta h ARG 26 CO 0.06 0.72 -0.41 0.00 -1.07 0.00 0.00 179.97 179.27 1xta h ARG 27 N 0.08 0.00 -0.52 0.04 3.08 -0.58 -3.27 114.38 113.20 1xta h ARG 27 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1xta h ARG 27 Cb 1.15 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.20 1xta h ARG 27 CO 0.09 0.41 0.00 0.54 -1.07 0.00 0.00 179.97 179.95 1xta n ARG 28 N -3.36 4.31 -1.99 0.04 1.74 -0.72 -5.00 116.66 111.68 1xta n ARG 28 Ca 0.01 -3.04 -0.37 0.00 -0.77 0.00 0.00 57.85 53.67 1xta n ARG 28 Cb 0.61 -2.11 0.02 0.00 -1.02 0.00 0.00 32.46 29.96 1xta n ARG 28 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 1xta s VAL 29 N -2.60 2.54 -0.06 1.55 -7.23 -1.14 -5.03 120.40 108.43 1xta s VAL 29 Ca 0.51 0.39 -0.01 0.00 -1.81 0.00 0.00 61.98 61.07 1xta s VAL 29 Cb 0.38 -3.19 0.03 0.00 0.56 0.00 0.00 36.38 34.16 1xta s VAL 29 CO 0.16 -0.02 -0.00 -0.55 -0.31 0.00 0.00 175.10 174.38 1xta s SER 30 N -1.20 1.33 0.96 4.85 0.15 -1.26 -3.56 113.70 114.97 1xta s SER 30 Ca 0.70 -0.07 -0.11 0.00 0.70 0.00 0.00 55.95 57.16 1xta s SER 30 Cb -0.35 -0.40 0.17 0.00 -1.71 0.00 0.00 66.02 63.73 1xta s SER 30 CO 0.41 -0.17 1.10 -2.16 1.20 0.00 0.00 173.24 173.62 1xta s PRO 31 N 1.72 0.70 0.71 5.44 0.04 -1.26 -4.89 135.00 137.46 1xta s PRO 31 Ca 0.01 1.14 -0.15 0.00 0.04 0.00 0.00 61.00 62.04 1xta s PRO 31 Cb -0.13 -1.72 0.03 0.00 0.04 0.00 0.00 34.50 32.72 1xta s PRO 31 CO -0.04 -2.71 1.16 0.95 0.04 0.00 0.00 177.00 176.40 1xta s THR 32 N -2.70 2.72 -0.04 1.26 -4.23 -1.23 -4.97 115.64 106.45 1xta s THR 32 Ca 0.66 0.34 0.04 0.00 -1.18 0.00 0.00 61.69 61.54 1xta s THR 32 Cb -0.21 -2.85 -0.03 0.00 1.34 0.00 0.00 72.50 70.74 1xta s THR 32 CO 0.59 -0.21 -0.14 0.00 -0.54 0.00 0.00 174.62 174.33 1xta s ALA 33 N -2.19 2.70 -1.26 3.99 0.00 -1.23 -2.64 121.76 121.13 1xta s ALA 33 Ca 0.70 -0.99 0.21 0.00 0.00 0.00 0.00 51.96 51.88 1xta s ALA 33 Cb -0.25 -0.97 -0.17 0.00 0.00 0.00 0.00 23.12 21.74 1xta s ALA 33 CO 0.44 0.56 0.93 -1.13 0.00 0.00 0.00 175.76 176.57 1xta n SER 34 N 2.19 1.26 -1.81 0.00 3.41 0.13 -3.41 113.62 115.39 1xta n SER 34 Ca -0.17 -1.13 0.01 0.00 -0.26 0.00 0.00 58.87 57.32 1xta n SER 34 Cb 0.52 0.86 0.05 0.00 -0.26 0.00 0.00 64.21 65.38 1xta n SER 34 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1xta n ASN 35 N -1.09 1.56 -4.60 4.04 6.94 -1.26 -1.17 115.26 119.69 1xta n ASN 35 Ca 0.05 -2.39 -0.43 0.00 -0.02 0.00 0.00 54.58 51.79 1xta n ASN 35 Cb 0.36 -0.39 -0.02 0.00 -2.36 0.00 0.00 39.78 37.37 1xta n ASN 35 CO 0.00 0.00 0.00 -0.32 -1.03 0.00 0.00 177.26 175.91 1xta s MET 36 N -1.82 3.69 0.44 -3.83 1.75 -1.26 -4.70 119.30 113.57 1xta s MET 36 Ca 0.34 0.51 -0.23 0.00 -1.25 0.00 0.00 55.69 55.06 1xta s MET 36 Cb 0.37 -3.92 -0.08 0.00 2.84 0.00 0.00 34.83 34.04 1xta s MET 36 CO -0.10 -1.41 1.10 -0.51 -0.65 0.00 0.00 175.02 173.45 1xta s LEU 37 N 4.49 4.03 0.13 4.11 1.43 -1.10 0.11 118.68 131.89 1xta s LEU 37 Ca 0.47 2.15 -0.30 0.00 -1.03 0.00 0.00 54.13 55.42 1xta s LEU 37 Cb -0.07 -4.27 -0.06 0.00 0.03 0.00 0.00 46.19 41.82 1xta s LEU 37 CO 0.31 -0.74 1.04 -0.75 0.23 0.00 0.00 176.35 176.44 1xta s LYS 38 N -2.70 4.62 0.35 1.70 2.20 0.61 -4.72 119.74 121.80 1xta s LYS 38 Ca 0.62 1.59 -0.10 0.00 -0.36 0.00 0.00 55.97 57.72 1xta s LYS 38 Cb -0.24 -3.34 -0.07 0.00 -1.51 0.00 0.00 37.83 32.67 1xta s LYS 38 CO 0.30 0.10 0.69 -1.64 -0.36 0.00 0.00 175.35 174.44 1xta s MET 39 N 0.00 3.78 0.05 4.03 -1.94 -1.26 -4.71 119.30 119.26 1xta s MET 39 Ca 0.49 0.37 0.00 0.00 -1.71 0.00 0.00 55.69 54.84 1xta s MET 39 Cb -0.26 -2.48 -0.03 0.00 2.01 0.00 0.00 34.83 34.06 1xta s MET 39 CO 0.32 0.09 -0.04 -1.83 -0.01 0.00 0.00 175.02 173.54 1xta s GLU 40 N -3.54 0.57 0.31 2.03 -1.05 0.06 -4.95 118.70 112.12 1xta s GLU 40 Ca 0.50 -1.04 -0.29 0.00 -0.15 0.00 0.00 54.97 53.98 1xta s GLU 40 Cb -0.10 0.05 -0.10 0.00 -0.44 0.00 0.00 34.13 33.54 1xta s GLU 40 CO 0.28 -0.06 1.20 -0.46 0.95 0.00 0.00 175.26 177.17 1xta s TRP 41 N -3.00 3.32 -0.32 4.83 -0.11 -1.26 -1.73 118.94 120.68 1xta s TRP 41 Ca 0.01 1.56 0.02 0.00 1.22 0.00 0.00 56.10 58.91 1xta s TRP 41 Cb 0.01 -3.47 0.09 0.00 -1.50 0.00 0.00 33.47 28.60 1xta s TRP 41 CO -0.06 -1.18 0.04 -0.47 -4.62 0.00 0.00 176.95 170.67 1xta s TYR 42 N -1.16 3.08 0.28 5.86 5.04 0.64 -4.78 117.35 126.31 1xta s TYR 42 Ca 0.47 -2.53 0.01 0.00 -2.44 0.00 0.00 57.07 52.57 1xta s TYR 42 Cb -0.36 -2.44 0.65 0.00 0.35 0.00 0.00 41.96 40.16 1xta s TYR 42 CO 0.47 -0.91 1.67 -1.35 -1.34 0.00 0.00 175.55 174.08 1xta h PRO 43 N 7.77 0.26 -0.89 4.97 0.11 -1.95 -0.37 132.00 141.90 1xta h PRO 43 Ca -0.09 -0.02 0.02 0.00 0.11 0.00 0.00 66.00 66.03 1xta h PRO 43 Cb 1.02 -0.06 -0.05 0.00 0.11 0.00 0.00 31.00 32.03 1xta h PRO 43 CO 0.49 0.17 0.58 0.93 -0.21 0.00 0.00 178.00 179.97 1xta h GLU 44 N 0.27 1.13 -0.27 1.05 3.07 -1.97 -0.27 114.58 117.59 1xta h GLU 44 Ca 0.52 -0.07 -0.16 0.00 -0.50 0.00 0.00 59.36 59.15 1xta h GLU 44 Cb 0.99 -0.25 -0.00 0.00 -0.84 0.00 0.00 28.75 28.64 1xta h GLU 44 CO -0.59 0.74 -0.49 0.00 -1.40 0.00 0.00 179.01 177.27 1xta h ALA 45 N 1.35 0.62 -0.41 3.43 0.00 -1.47 -1.81 119.26 120.98 1xta h ALA 45 Ca 0.34 -0.49 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 1xta h ALA 45 Cb -0.05 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1xta h ALA 45 CO -0.10 0.68 0.25 0.00 0.00 0.00 0.00 179.25 180.08 1xta h ALA 46 N 0.86 0.52 -0.43 0.00 0.00 -0.70 0.24 119.26 119.75 1xta h ALA 46 Ca 0.03 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.80 1xta h ALA 46 Cb 1.06 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 1xta h ALA 46 CO 0.10 0.01 -0.08 0.77 0.00 0.00 0.00 179.25 180.05 1xta h SER 47 N 0.54 0.74 -0.42 0.00 0.02 -0.98 0.05 113.55 113.51 1xta h SER 47 Ca 0.15 -0.21 -0.12 0.00 -0.84 0.00 0.00 61.79 60.77 1xta h SER 47 Cb -0.01 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.32 1xta h SER 47 CO -0.03 0.86 -0.20 -1.13 -1.14 0.00 0.00 176.83 175.19 1xta h ASN 48 N 0.69 0.90 -0.71 3.07 -0.00 -0.96 -1.71 115.58 116.86 1xta h ASN 48 Ca 0.12 -0.40 -0.04 0.00 -0.00 0.00 0.00 56.30 55.98 1xta h ASN 48 Cb 0.55 -0.25 -0.03 0.00 -0.00 0.00 0.00 38.32 38.59 1xta h ASN 48 CO 0.03 1.10 0.28 0.00 -0.00 0.00 0.00 177.43 178.85 1xta h ALA 49 N 0.82 0.92 -0.38 1.57 0.00 -0.21 -1.63 119.26 120.35 1xta h ALA 49 Ca 0.09 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1xta h ALA 49 Cb 0.76 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1xta h ALA 49 CO 0.06 0.54 0.20 0.93 0.00 0.00 0.00 179.25 180.98 1xta h GLU 50 N 1.01 0.54 -0.32 0.00 5.08 -0.83 0.42 114.58 120.49 1xta h GLU 50 Ca 0.24 -0.07 0.03 0.00 -1.00 0.00 0.00 59.36 58.56 1xta h GLU 50 Cb 0.21 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.33 1xta h GLU 50 CO -0.02 0.46 0.12 0.00 -1.00 0.00 0.00 179.01 178.57 1xta h ARG 51 N 0.48 0.26 -0.32 2.33 3.08 -0.95 -0.39 114.38 118.87 1xta h ARG 51 Ca 0.13 -0.02 -0.07 0.00 0.07 0.00 0.00 59.98 60.09 1xta h ARG 51 Cb 0.09 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.07 1xta h ARG 51 CO -0.02 0.17 -0.09 2.35 -1.07 0.00 0.00 179.97 181.32 1xta h TRP 52 N 0.27 0.70 -0.93 3.04 2.91 -1.07 -3.02 115.95 117.84 1xta h TRP 52 Ca 0.14 -0.15 0.01 0.00 1.13 0.00 0.00 58.89 60.01 1xta h TRP 52 Cb 0.10 -0.17 -0.05 0.00 -0.51 0.00 0.00 29.16 28.53 1xta h TRP 52 CO -0.13 0.80 0.61 0.00 -1.03 0.00 0.00 178.44 178.70 1xta h ALA 53 N 0.79 1.33 0.00 2.65 0.00 -0.73 -1.98 119.26 121.33 1xta h ALA 53 Ca 0.08 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1xta h ALA 53 Cb 0.58 -0.38 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1xta h ALA 53 CO 0.03 0.62 0.00 0.09 0.00 0.00 0.00 179.25 179.99 1xta n ASN 54 N -4.39 0.00 0.10 0.00 3.02 -0.17 -1.66 115.26 112.15 1xta n ASN 54 Ca 0.11 -0.21 0.12 0.00 -0.03 0.00 0.00 54.58 54.57 1xta n ASN 54 Cb 0.02 -0.19 0.18 0.00 -0.61 0.00 0.00 39.78 39.18 1xta n ASN 54 CO 0.00 0.00 0.00 0.71 -2.62 0.00 0.00 177.26 175.35 1xta h THR 55 N 0.00 0.00 -5.89 3.41 1.35 -1.28 -3.48 112.91 107.02 1xta h THR 55 Ca 0.00 -0.65 -0.44 0.00 -0.55 0.00 0.00 66.41 64.77 1xta h THR 55 Cb 0.12 1.36 0.01 0.00 -1.73 0.00 0.00 68.15 67.91 1xta h THR 55 CO 0.00 0.00 -0.70 0.00 -0.25 0.00 0.00 175.52 174.57 1xta h SER 57 N -2.05 0.00 -4.58 0.00 4.64 -1.82 -3.47 113.55 106.27 1xta h SER 57 Ca -0.56 0.00 -0.40 0.00 -0.47 0.00 0.00 61.79 60.36 1xta h SER 57 Cb 1.37 0.00 0.05 0.00 -0.31 0.00 0.00 62.40 63.50 1xta h SER 57 CO 0.62 0.27 -0.60 0.18 -0.87 0.00 0.00 176.83 176.43 1xta n LEU 58 N -3.42 -2.56 -3.81 5.97 4.32 -1.26 -4.94 117.00 111.29 1xta n LEU 58 Ca 0.00 -0.30 -0.09 0.00 -0.02 0.00 0.00 56.01 55.61 1xta n LEU 58 Cb 0.46 -2.89 0.02 0.00 -1.62 0.00 0.00 43.42 39.39 1xta n LEU 58 CO 0.34 0.22 0.53 0.21 -1.22 0.00 0.00 177.39 177.48 1xta s ASN 59 N -2.70 -0.02 0.32 -1.43 3.84 -1.26 -5.12 114.94 108.57 1xta s ASN 59 Ca 0.31 -1.10 -0.28 0.00 0.21 0.00 0.00 52.86 52.00 1xta s ASN 59 Cb -0.14 0.84 -0.09 0.00 -0.55 0.00 0.00 41.25 41.30 1xta s ASN 59 CO 0.39 -1.66 1.12 -1.00 -2.79 0.00 0.00 177.10 173.16 1xta s HIS 60 N -2.45 3.42 0.52 0.43 3.76 -1.26 -5.03 115.29 114.69 1xta s HIS 60 Ca 0.15 1.65 -0.17 0.00 -0.15 0.00 0.00 55.06 56.54 1xta s HIS 60 Cb -0.05 -3.31 -0.07 0.00 1.11 0.00 0.00 32.58 30.25 1xta s HIS 60 CO 0.11 -0.77 1.00 -1.54 -0.85 0.00 0.00 174.74 172.69 1xta s SER 61 N -0.97 6.47 0.58 1.40 1.04 -1.26 -5.02 113.70 115.94 1xta s SER 61 Ca 0.48 1.67 -0.18 0.00 0.48 0.00 0.00 55.95 58.40 1xta s SER 61 Cb -0.31 -2.52 -0.04 0.00 0.10 0.00 0.00 66.02 63.25 1xta s SER 61 CO 0.40 -0.69 1.13 -2.16 0.98 0.00 0.00 173.24 172.89 1xta s PRO 62 N -3.88 3.18 0.27 4.02 0.04 -1.26 -4.92 135.00 132.45 1xta s PRO 62 Ca 0.61 1.55 0.00 0.00 0.04 0.00 0.00 61.00 63.21 1xta s PRO 62 Cb -0.12 -1.99 0.56 0.00 0.04 0.00 0.00 34.50 33.00 1xta s PRO 62 CO 0.29 -0.98 1.78 -0.44 0.04 0.00 0.00 177.00 177.69 1xta h ASP 63 N 0.84 0.66 0.13 6.66 3.32 -1.95 -0.54 116.42 125.55 1xta h ASP 63 Ca -0.49 0.08 0.00 0.00 0.02 0.00 0.00 57.03 56.64 1xta h ASP 63 Cb 1.26 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.77 1xta h ASP 63 CO 0.56 0.30 0.00 -0.46 -1.72 0.00 0.00 179.24 177.92 1xta n ASN 64 N -4.79 0.00 -0.91 6.45 6.94 -1.26 -0.68 115.26 121.01 1xta n ASN 64 Ca 0.18 0.18 0.11 0.00 -0.02 0.00 0.00 54.58 55.03 1xta n ASN 64 Cb 0.43 -0.28 0.11 0.00 -2.36 0.00 0.00 39.78 37.67 1xta n ASN 64 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 1xta n LEU 65 N -1.28 2.90 -1.46 -4.53 4.77 -0.21 -4.41 117.00 112.79 1xta n LEU 65 Ca 0.03 -1.08 -0.08 0.00 -0.03 0.00 0.00 56.01 54.85 1xta n LEU 65 Cb 0.06 -0.04 0.10 0.00 -2.33 0.00 0.00 43.42 41.21 1xta n LEU 65 CO 0.05 0.52 0.23 0.54 -1.33 0.00 0.00 177.39 177.40 1xta n ARG 66 N 1.25 2.41 -3.44 3.23 1.74 0.15 -4.94 116.66 117.06 1xta n ARG 66 Ca 0.14 -3.63 -0.43 0.00 -0.77 0.00 0.00 57.85 53.16 1xta n ARG 66 Cb 0.55 -1.81 -0.07 0.00 -1.02 0.00 0.00 32.46 30.11 1xta n ARG 66 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1xta s VAL 67 N -3.69 4.69 -0.20 1.55 1.01 -1.25 -0.26 120.40 122.25 1xta s VAL 67 Ca 0.43 -1.74 -0.07 0.00 0.00 0.00 0.00 61.98 60.60 1xta s VAL 67 Cb 0.39 -4.04 -0.04 0.00 0.00 0.00 0.00 36.38 32.69 1xta s VAL 67 CO -0.02 -0.83 0.05 -0.76 0.00 0.00 0.00 175.10 173.53 1xta s LEU 68 N 1.36 3.60 -1.55 3.92 2.01 -0.05 -4.46 118.68 123.51 1xta s LEU 68 Ca 0.06 -0.04 -0.14 0.00 0.01 0.00 0.00 54.13 54.01 1xta s LEU 68 Cb -0.27 -1.92 0.09 0.00 0.01 0.00 0.00 46.19 44.11 1xta s LEU 68 CO 0.00 0.11 0.96 -0.62 1.01 0.00 0.00 176.35 177.81 1xta n GLU 69 N 3.94 -5.25 -0.96 1.70 1.02 -1.26 -1.14 120.64 118.70 1xta n GLU 69 Ca -0.17 0.57 0.00 0.00 -0.02 0.00 0.00 57.16 57.55 1xta n GLU 69 Cb 0.52 -5.43 0.00 0.00 -0.02 0.00 0.00 31.44 26.51 1xta n GLU 69 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1xta n GLY 70 N -1.66 0.58 3.38 0.62 0.00 -1.26 -5.02 105.19 101.82 1xta n GLY 70 Ca 0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.73 1xta n GLY 70 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xta s ILE 71 N -2.51 2.82 -0.18 -0.61 1.01 -0.29 -5.09 121.20 116.36 1xta s ILE 71 Ca 0.00 -0.77 -0.29 0.00 0.00 0.00 0.00 60.65 59.59 1xta s ILE 71 Cb 0.00 -2.13 -0.01 0.00 0.01 0.00 0.00 42.46 40.33 1xta s ILE 71 CO 0.00 0.55 1.23 -1.58 0.00 0.00 0.00 174.94 175.15 1xta s GLN 72 N -0.06 4.23 0.19 2.79 2.00 -1.26 -0.87 119.66 126.68 1xta s GLN 72 Ca -0.04 1.61 0.06 0.00 -2.00 0.00 0.00 55.36 54.99 1xta s GLN 72 Cb -0.14 -3.75 -0.04 0.00 0.80 0.00 0.00 33.01 29.88 1xta s GLN 72 CO 0.04 -0.71 0.13 0.00 -0.50 0.00 0.00 175.29 174.25 1xta n GLY 74 N -0.54 2.24 3.53 0.00 0.00 0.76 -4.67 105.19 106.50 1xta n GLY 74 Ca -0.08 -2.18 -0.12 0.00 0.00 0.00 0.00 46.02 43.64 1xta n GLY 74 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1xta s GLU 75 N -2.84 0.84 0.03 1.61 -1.05 -1.26 -1.05 118.70 114.98 1xta s GLU 75 Ca 0.17 0.01 0.06 0.00 -0.15 0.00 0.00 54.97 55.06 1xta s GLU 75 Cb -0.01 0.39 -0.02 0.00 -0.44 0.00 0.00 34.13 34.05 1xta s GLU 75 CO 0.11 -0.30 -0.17 -1.12 0.95 0.00 0.00 175.26 174.73 1xta s SER 76 N -1.61 2.03 0.19 0.83 0.01 -0.26 -5.00 113.70 109.89 1xta s SER 76 Ca -0.02 -0.44 0.04 0.00 1.31 0.00 0.00 55.95 56.84 1xta s SER 76 Cb -0.01 -0.17 -0.05 0.00 0.21 0.00 0.00 66.02 66.01 1xta s SER 76 CO 0.00 0.13 -0.06 0.27 0.41 0.00 0.00 173.24 173.99 1xta s ILE 77 N -0.70 1.13 -0.09 1.44 -4.36 -1.26 -1.42 121.20 115.93 1xta s ILE 77 Ca 0.05 -2.06 -0.21 0.00 -0.26 0.00 0.00 60.65 58.18 1xta s ILE 77 Cb -0.08 -2.08 0.05 0.00 1.25 0.00 0.00 42.46 41.60 1xta s ILE 77 CO 0.01 -0.55 0.49 -0.47 0.24 0.00 0.00 174.94 174.66 1xta s TYR 78 N -3.36 -0.46 0.04 1.37 5.04 -0.70 -4.99 117.35 114.29 1xta s TYR 78 Ca 0.22 0.92 0.05 0.00 -2.44 0.00 0.00 57.07 55.82 1xta s TYR 78 Cb 0.04 0.22 -0.02 0.00 0.35 0.00 0.00 41.96 42.55 1xta s TYR 78 CO 0.04 -0.41 -0.15 -1.64 -1.34 0.00 0.00 175.55 172.05 1xta s MET 79 N -0.72 1.03 0.02 4.97 -1.94 -1.26 -0.57 119.30 120.82 1xta s MET 79 Ca -0.08 -0.77 -0.13 0.00 -1.71 0.00 0.00 55.69 53.00 1xta s MET 79 Cb -0.03 -1.05 0.02 0.00 2.01 0.00 0.00 34.83 35.77 1xta s MET 79 CO 0.05 0.26 0.27 -1.54 -0.01 0.00 0.00 175.02 174.05 1xta s SER 80 N -1.08 -0.10 0.26 3.03 1.04 -0.52 -5.00 113.70 111.33 1xta s SER 80 Ca 0.03 -0.14 0.12 0.00 0.48 0.00 0.00 55.95 56.45 1xta s SER 80 Cb -0.08 0.31 0.24 0.00 0.10 0.00 0.00 66.02 66.60 1xta s SER 80 CO 0.01 -0.53 1.53 0.77 0.98 0.00 0.00 173.24 176.00 1xta h SER 81 N 3.57 0.00 -2.65 7.02 4.64 -1.87 -1.36 113.55 122.90 1xta h SER 81 Ca -0.31 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.48 1xta h SER 81 Cb 1.19 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 63.14 1xta h SER 81 CO 0.44 0.64 -0.66 0.54 -0.87 0.00 0.00 176.83 176.92 1xta s ASN 82 N -6.64 3.02 -0.15 4.97 6.03 -1.26 -4.56 114.94 116.34 1xta s ASN 82 Ca 0.01 -1.23 -0.29 0.00 -1.03 0.00 0.00 52.86 50.31 1xta s ASN 82 Cb 0.11 -0.22 -0.02 0.00 -3.03 0.00 0.00 41.25 38.09 1xta s ASN 82 CO 0.76 -0.35 1.38 0.00 -2.03 0.00 0.00 177.10 176.86 1xta s ALA 83 N -2.93 3.61 0.15 3.54 0.00 -1.26 -4.80 121.76 120.07 1xta s ALA 83 Ca 0.31 0.55 0.07 0.00 0.00 0.00 0.00 51.96 52.89 1xta s ALA 83 Cb 0.05 -3.68 -0.04 0.00 0.00 0.00 0.00 23.12 19.45 1xta s ALA 83 CO 0.14 -1.32 -0.00 1.03 0.00 0.00 0.00 175.76 175.61 1xta s ARG 84 N 3.75 2.43 0.62 0.00 1.81 -1.26 -4.82 118.95 121.47 1xta s ARG 84 Ca 0.60 -1.05 -0.14 0.00 -1.72 0.00 0.00 55.73 53.43 1xta s ARG 84 Cb -0.24 -2.39 -0.03 0.00 -0.45 0.00 0.00 34.95 31.83 1xta s ARG 84 CO 0.20 0.47 1.05 0.95 -0.68 0.00 0.00 175.30 177.29 1xta s THR 85 N -1.62 4.03 0.42 0.02 -4.23 -1.26 -4.89 115.64 108.10 1xta s THR 85 Ca 0.27 0.84 0.10 0.00 -1.18 0.00 0.00 61.69 61.72 1xta s THR 85 Cb -0.10 -3.46 0.21 0.00 1.34 0.00 0.00 72.50 70.49 1xta s THR 85 CO 0.18 -0.68 2.00 -0.50 -0.54 0.00 0.00 174.62 175.08 1xta h TRP 86 N 0.08 0.27 -0.68 3.99 4.06 -1.98 -1.65 115.95 120.05 1xta h TRP 86 Ca -0.46 -0.01 -0.03 0.00 2.06 0.00 0.00 58.89 60.45 1xta h TRP 86 Cb 1.21 -0.08 -0.03 0.00 -1.00 0.00 0.00 29.16 29.25 1xta h TRP 86 CO 0.61 0.29 0.31 1.15 -3.56 0.00 0.00 178.44 177.23 1xta h THR 87 N 0.27 1.23 0.02 1.49 2.02 -1.95 0.57 112.91 116.56 1xta h THR 87 Ca 0.06 -0.68 -0.00 0.00 0.77 0.00 0.00 66.41 66.57 1xta h THR 87 Cb 0.19 0.42 0.00 0.00 -1.74 0.00 0.00 68.15 67.01 1xta h THR 87 CO 0.00 0.28 -0.01 -0.33 0.37 0.00 0.00 175.52 175.83 1xta h GLU 88 N 0.95 -0.02 -0.25 6.66 5.08 -1.70 -1.99 114.58 123.31 1xta h GLU 88 Ca 0.23 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 1xta h GLU 88 Cb 0.15 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 1xta h GLU 88 CO -0.03 0.06 0.16 0.82 -1.00 0.00 0.00 179.01 179.02 1xta h ILE 89 N -0.10 1.07 -0.46 3.13 1.08 -1.07 -0.96 117.51 120.21 1xta h ILE 89 Ca -0.00 -0.15 -0.02 0.00 -0.39 0.00 0.00 64.86 64.30 1xta h ILE 89 Cb 0.09 0.73 -0.02 0.00 -3.07 0.00 0.00 36.82 34.55 1xta h ILE 89 CO 0.00 0.07 0.19 0.40 -0.69 0.00 0.00 178.15 178.13 1xta h ILE 90 N 0.33 1.17 -0.20 -0.67 2.04 -0.85 -1.60 117.51 117.72 1xta h ILE 90 Ca 0.09 -0.51 -0.14 0.00 1.00 0.00 0.00 64.86 65.30 1xta h ILE 90 Cb -0.02 0.61 -0.01 0.00 -0.74 0.00 0.00 36.82 36.66 1xta h ILE 90 CO -0.02 0.20 -0.46 0.45 0.00 0.00 0.00 178.15 178.33 1xta h HIS 91 N 0.65 0.60 -0.01 1.37 3.86 -0.99 -0.03 115.15 120.60 1xta h HIS 91 Ca 0.16 -0.19 -0.05 0.00 -1.16 0.00 0.00 60.37 59.13 1xta h HIS 91 Cb 0.11 -0.12 -0.01 0.00 1.06 0.00 0.00 27.41 28.45 1xta h HIS 91 CO 0.01 0.87 -0.25 -0.07 0.86 0.00 0.00 177.93 179.34 1xta h LEU 92 N 0.40 0.02 0.01 2.43 3.38 -0.27 0.54 115.31 121.82 1xta h LEU 92 Ca 0.03 -0.01 -0.12 0.00 0.09 0.00 0.00 57.88 57.88 1xta h LEU 92 Cb 0.96 -0.01 0.01 0.00 0.09 0.00 0.00 40.66 41.71 1xta h LEU 92 CO 0.08 0.27 -0.46 -0.50 0.09 0.00 0.00 178.44 177.93 1xta h TRP 93 N 0.02 0.44 -0.33 1.13 6.55 -1.02 -3.32 115.95 119.42 1xta h TRP 93 Ca 0.00 -0.25 -0.06 0.00 0.95 0.00 0.00 58.89 59.53 1xta h TRP 93 Cb 0.45 -0.05 -0.02 0.00 -0.86 0.00 0.00 29.16 28.69 1xta h TRP 93 CO 0.00 1.07 -0.05 1.25 -1.05 0.00 0.00 178.44 179.66 1xta h HIS 94 N -0.32 0.56 0.00 0.49 2.76 -0.47 -3.08 115.15 115.10 1xta h HIS 94 Ca -0.06 -0.07 0.00 0.00 -2.20 0.00 0.00 60.37 58.04 1xta h HIS 94 Cb 1.21 -0.16 0.00 0.00 1.55 0.00 0.00 27.41 30.01 1xta h HIS 94 CO 0.17 0.58 0.47 -0.44 -1.30 0.00 0.00 177.93 177.41 1xta h ASP 95 N 0.50 0.00 0.24 3.26 3.45 -0.04 -0.70 116.42 123.13 1xta h ASP 95 Ca 0.10 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.56 1xta h ASP 95 Cb 0.40 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.17 1xta h ASP 95 CO 0.02 0.00 0.00 -0.62 -1.57 0.00 0.00 179.24 177.07 1xta n GLU 96 N -2.69 0.05 0.29 3.56 1.02 -1.17 -2.05 120.64 119.64 1xta n GLU 96 Ca -0.01 0.44 0.15 0.00 -0.02 0.00 0.00 57.16 57.71 1xta n GLU 96 Cb 0.50 -1.63 0.85 0.00 -0.02 0.00 0.00 31.44 31.15 1xta n GLU 96 CO 0.00 0.00 0.00 0.10 1.18 0.00 0.00 177.13 178.41 1xta h TYR 97 N 0.00 0.00 0.00 -0.32 -0.00 -1.40 -1.24 116.97 114.02 1xta h TYR 97 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 58.73 58.71 1xta h TYR 97 Cb 0.12 0.00 -0.00 0.00 -0.00 0.00 0.00 36.73 36.85 1xta h TYR 97 CO 0.00 0.05 -0.08 0.87 -0.00 0.00 0.00 178.16 179.01 1xta h LYS 98 N 0.00 0.00 -0.36 0.10 1.57 -1.67 -2.04 116.57 114.17 1xta h LYS 98 Ca -0.00 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.61 1xta h LYS 98 Cb 0.15 0.00 -0.10 0.00 0.08 0.00 0.00 32.23 32.36 1xta h LYS 98 CO 0.01 0.08 -0.05 0.09 -0.57 0.00 0.00 179.45 179.00 1xta n ASN 99 N -3.39 2.66 -3.98 0.86 5.03 -0.47 -4.98 115.26 110.99 1xta n ASN 99 Ca -0.01 -3.69 -0.19 0.00 0.87 0.00 0.00 54.58 51.56 1xta n ASN 99 Cb 0.23 -0.63 -0.15 0.00 -1.02 0.00 0.00 39.78 38.21 1xta n ASN 99 CO 0.00 0.00 0.00 0.12 -1.83 0.00 0.00 177.26 175.55 1xta s PHE 100 N -3.20 0.80 -0.16 3.10 5.36 -0.77 -0.90 117.98 122.22 1xta s PHE 100 Ca 0.45 -0.19 0.00 0.00 -0.96 0.00 0.00 56.93 56.23 1xta s PHE 100 Cb 0.40 -0.58 0.03 0.00 -0.34 0.00 0.00 43.02 42.53 1xta s PHE 100 CO 0.01 -0.08 -0.13 0.08 -1.46 0.00 0.00 175.22 173.64 1xta s VAL 101 N 0.19 1.56 0.20 3.12 1.01 -0.26 -4.93 120.40 121.29 1xta s VAL 101 Ca -0.03 -0.72 -0.33 0.00 0.00 0.00 0.00 61.98 60.91 1xta s VAL 101 Cb -0.08 -1.52 -0.13 0.00 0.00 0.00 0.00 36.38 34.65 1xta s VAL 101 CO 0.00 0.37 1.59 0.00 0.00 0.00 0.00 175.10 177.06 1xta n TYR 102 N 4.76 2.43 0.00 5.22 4.19 -1.26 -0.10 117.16 132.40 1xta n TYR 102 Ca -0.16 0.24 0.00 0.00 3.31 0.00 0.00 57.90 61.29 1xta n TYR 102 Cb 0.49 -2.57 0.00 0.00 0.49 0.00 0.00 39.34 37.75 1xta n TYR 102 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 1xta n GLY 103 N 3.21 1.74 1.04 2.98 0.00 -0.12 -4.77 105.19 109.27 1xta n GLY 103 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 1xta n GLY 103 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1xta n VAL 104 N -2.00 0.25 0.00 1.61 0.31 -0.24 -4.97 118.33 113.28 1xta n VAL 104 Ca 0.00 0.08 0.00 0.00 -0.01 0.00 0.00 64.34 64.41 1xta n VAL 104 Cb 0.00 -1.49 0.00 0.00 -0.91 0.00 0.00 33.84 31.44 1xta n VAL 104 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1xta n GLY 105 N 3.06 0.39 3.73 2.92 0.00 0.86 -4.86 105.19 111.29 1xta n GLY 105 Ca 0.00 -1.80 -0.42 0.00 0.00 0.00 0.00 46.02 43.80 1xta n GLY 105 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xta n ALA 106 N -0.28 2.52 -3.42 4.61 0.00 -1.26 -1.10 120.51 121.58 1xta n ALA 106 Ca 0.00 0.38 -0.16 0.00 0.00 0.00 0.00 53.44 53.67 1xta n ALA 106 Cb 0.00 -2.47 -0.11 0.00 0.00 0.00 0.00 19.45 16.88 1xta n ALA 106 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1xta s SER 107 N 0.69 1.19 0.78 0.00 0.15 -0.08 -3.62 113.70 112.83 1xta s SER 107 Ca 0.68 -0.30 -0.11 0.00 0.70 0.00 0.00 55.95 56.92 1xta s SER 107 Cb -0.51 0.61 0.06 0.00 -1.71 0.00 0.00 66.02 64.47 1xta s SER 107 CO 0.44 -0.34 1.08 -2.16 1.20 0.00 0.00 173.24 173.46 1xta s PRO 108 N 2.39 2.18 0.50 5.44 0.04 -1.26 -4.33 135.00 139.96 1xta s PRO 108 Ca 0.09 0.87 -0.23 0.00 0.04 0.00 0.00 61.00 61.78 1xta s PRO 108 Cb -0.15 -1.91 -0.07 0.00 0.04 0.00 0.00 34.50 32.41 1xta s PRO 108 CO -0.20 -1.61 1.21 -0.35 0.04 0.00 0.00 177.00 176.09 1xta n PRO 109 N -3.46 1.58 0.00 0.56 -0.04 -1.24 -2.26 135.00 130.14 1xta n PRO 109 Ca 0.08 0.58 0.00 0.00 -0.04 0.00 0.00 63.50 64.11 1xta n PRO 109 Cb 0.55 -2.37 0.00 0.00 -0.04 0.00 0.00 33.50 31.63 1xta n PRO 109 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1xta n GLY 110 N 0.93 3.34 3.77 0.55 0.00 -1.26 -5.04 105.19 107.47 1xta n GLY 110 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 1xta n GLY 110 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xta s SER 111 N -0.62 6.56 -0.09 1.61 0.01 -0.96 -4.97 113.70 115.24 1xta s SER 111 Ca 0.00 2.86 -0.26 0.00 1.31 0.00 0.00 55.95 59.86 1xta s SER 111 Cb 0.00 -2.65 -0.03 0.00 0.21 0.00 0.00 66.02 63.55 1xta s SER 111 CO 0.00 -0.72 0.82 -0.69 0.41 0.00 0.00 173.24 173.07 1xta s VAL 112 N -0.97 4.94 0.00 3.43 1.01 -1.26 -4.79 120.40 122.76 1xta s VAL 112 Ca 0.52 1.68 0.00 0.00 0.00 0.00 0.00 61.98 64.18 1xta s VAL 112 Cb -0.43 -4.15 0.00 0.00 0.00 0.00 0.00 36.38 31.80 1xta s VAL 112 CO 0.56 0.14 0.19 0.35 0.00 0.00 0.00 175.10 176.34 1xta n THR 113 N 4.19 0.02 0.06 3.92 -2.24 -1.26 -4.83 114.28 114.14 1xta n THR 113 Ca 0.03 -0.16 0.12 0.00 -2.27 0.00 0.00 64.05 61.76 1xta n THR 113 Cb 0.50 1.63 0.58 0.00 -2.10 0.00 0.00 70.33 70.94 1xta n THR 113 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1xta h GLY 114 N 0.00 0.24 1.84 3.38 0.00 -1.95 -1.43 103.07 105.15 1xta h GLY 114 Ca 0.00 -0.08 -0.17 0.00 0.00 0.00 0.00 47.33 47.08 1xta h GLY 114 CO 0.00 0.06 -0.78 0.45 0.00 0.00 0.00 176.54 176.27 1xta h HIS 115 N 0.19 0.22 -0.02 5.60 3.86 -1.89 -2.13 115.15 120.97 1xta h HIS 115 Ca 0.16 -0.11 -0.01 0.00 -1.16 0.00 0.00 60.37 59.25 1xta h HIS 115 Cb 0.41 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 28.85 1xta h HIS 115 CO -0.00 0.87 -0.04 -0.92 0.86 0.00 0.00 177.93 178.70 1xta h TYR 116 N 0.09 0.09 0.00 2.45 3.20 -1.33 -2.86 116.97 118.61 1xta h TYR 116 Ca -0.03 -0.03 -0.04 0.00 3.14 0.00 0.00 58.73 61.78 1xta h TYR 116 Cb 1.37 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 39.62 1xta h TYR 116 CO 0.02 0.63 -0.17 1.79 -1.64 0.00 0.00 178.16 178.79 1xta h THR 117 N -0.48 0.86 -0.13 1.81 1.35 -1.31 -1.69 112.91 113.32 1xta h THR 117 Ca 0.00 -0.64 -0.19 0.00 -0.55 0.00 0.00 66.41 65.03 1xta h THR 117 Cb 0.62 1.37 0.00 0.00 -1.73 0.00 0.00 68.15 68.42 1xta h THR 117 CO 0.01 0.17 -0.71 -0.61 -0.25 0.00 0.00 175.52 174.13 1xta h GLN 118 N 0.00 0.59 -0.64 4.72 5.75 -1.41 -1.21 115.11 122.91 1xta h GLN 118 Ca -0.00 -0.46 -0.03 0.00 -0.15 0.00 0.00 58.65 58.01 1xta h GLN 118 Cb 0.36 0.09 -0.03 0.00 1.07 0.00 0.00 27.48 28.97 1xta h GLN 118 CO 0.02 1.08 0.26 0.82 -2.65 0.00 0.00 178.83 178.36 1xta h ILE 119 N 0.41 1.22 -0.58 2.39 2.04 -1.09 -2.89 117.51 119.02 1xta h ILE 119 Ca -0.03 -0.68 -0.21 0.00 1.00 0.00 0.00 64.86 64.94 1xta h ILE 119 Cb 1.30 0.46 -0.12 0.00 -0.74 0.00 0.00 36.82 37.71 1xta h ILE 119 CO 0.13 0.27 0.18 1.33 0.00 0.00 0.00 178.15 180.07 1xta n VAL 120 N -4.32 2.75 -2.42 1.67 0.24 -0.86 -4.80 118.33 110.59 1xta n VAL 120 Ca 0.06 -2.03 -0.43 0.00 -2.04 0.00 0.00 64.34 59.89 1xta n VAL 120 Cb 0.16 -0.34 -0.02 0.00 -1.47 0.00 0.00 33.84 32.17 1xta n VAL 120 CO 0.00 0.00 0.00 0.86 -2.14 0.00 0.00 176.83 175.55 1xta s TRP 121 N -3.08 2.78 0.32 6.34 -0.11 -0.47 -4.44 118.94 120.29 1xta s TRP 121 Ca 0.50 0.96 0.05 0.00 1.22 0.00 0.00 56.10 58.83 1xta s TRP 121 Cb 0.42 -3.66 0.69 0.00 -1.50 0.00 0.00 33.47 29.42 1xta s TRP 121 CO 0.08 -1.70 1.87 0.10 -4.62 0.00 0.00 176.95 172.68 1xta h TYR 122 N 8.65 0.96 0.00 5.86 -0.00 -1.48 -2.61 116.97 128.35 1xta h TYR 122 Ca -0.26 0.03 -0.07 0.00 -0.00 0.00 0.00 58.73 58.43 1xta h TYR 122 Cb 1.10 -0.31 -0.01 0.00 -0.00 0.00 0.00 36.73 37.52 1xta h TYR 122 CO 0.83 0.39 -0.32 0.37 -0.00 0.00 0.00 178.16 179.43 1xta h GLN 123 N 0.84 0.00 -6.28 0.10 4.15 -1.84 -2.90 115.11 109.19 1xta h GLN 123 Ca 0.45 0.00 -0.56 0.00 0.77 0.00 0.00 58.65 59.32 1xta h GLN 123 Cb 0.56 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.22 1xta h GLN 123 CO -0.22 0.32 0.74 0.99 -1.93 0.00 0.00 178.83 178.73 1xta s THR 124 N -3.53 4.26 0.00 2.39 2.01 -0.99 -4.30 115.64 115.48 1xta s THR 124 Ca 0.01 1.58 0.00 0.00 0.31 0.00 0.00 61.69 63.59 1xta s THR 124 Cb 0.10 -4.01 0.00 0.00 0.01 0.00 0.00 72.50 68.60 1xta s THR 124 CO 0.67 -0.03 0.48 0.00 -0.69 0.00 0.00 174.62 175.05 1xta n TYR 125 N 5.51 0.00 -4.42 4.92 0.18 -1.02 -4.72 117.16 117.61 1xta n TYR 125 Ca 0.12 -0.11 -0.19 0.00 1.88 0.00 0.00 57.90 59.59 1xta n TYR 125 Cb 0.46 -0.01 -0.15 0.00 -0.38 0.00 0.00 39.34 39.26 1xta n TYR 125 CO 0.00 0.00 0.00 1.03 -2.08 0.00 0.00 176.86 175.81 1xta s ARG 126 N -0.22 0.82 -0.06 -3.48 0.52 -0.71 -0.76 118.95 115.05 1xta s ARG 126 Ca 0.00 -0.38 -0.11 0.00 -0.52 0.00 0.00 55.73 54.72 1xta s ARG 126 Cb 0.00 -0.79 0.02 0.00 0.52 0.00 0.00 34.95 34.70 1xta s ARG 126 CO 0.00 0.22 0.27 0.00 0.02 0.00 0.00 175.30 175.80 1xta s ALA 127 N -0.27 -0.67 -0.09 2.13 0.00 -0.71 -0.88 121.76 121.28 1xta s ALA 127 Ca 0.04 0.51 -0.06 0.00 0.00 0.00 0.00 51.96 52.44 1xta s ALA 127 Cb -0.04 -0.21 0.03 0.00 0.00 0.00 0.00 23.12 22.90 1xta s ALA 127 CO -0.00 -0.18 0.22 0.20 0.00 0.00 0.00 175.76 176.00 1xta s GLY 128 N -0.53 -0.14 0.24 0.00 0.00 -0.55 -0.26 107.32 106.07 1xta s GLY 128 Ca -0.06 0.78 0.01 0.00 0.00 0.00 0.00 44.72 45.44 1xta s GLY 128 CO 0.02 0.86 0.12 0.00 0.00 0.00 0.00 173.10 174.09 1xta s ALA 130 N -3.89 -1.83 0.04 0.00 0.00 0.05 -4.73 121.76 111.40 1xta s ALA 130 Ca 0.38 1.23 0.05 0.00 0.00 0.00 0.00 51.96 53.62 1xta s ALA 130 Cb 0.07 -0.02 -0.02 0.00 0.00 0.00 0.00 23.12 23.15 1xta s ALA 130 CO 0.14 -0.50 -0.15 0.54 0.00 0.00 0.00 175.76 175.79 1xta s VAL 131 N -2.09 1.17 0.20 0.00 0.11 -1.26 -0.85 120.40 117.68 1xta s VAL 131 Ca -0.01 -1.02 0.04 0.00 -2.93 0.00 0.00 61.98 58.06 1xta s VAL 131 Cb -0.01 -1.05 -0.05 0.00 -1.53 0.00 0.00 36.38 33.74 1xta s VAL 131 CO -0.02 0.02 -0.06 -0.94 -3.33 0.00 0.00 175.10 170.77 1xta s SER 132 N -1.14 1.93 -0.25 3.54 1.04 -0.11 -4.97 113.70 113.74 1xta s SER 132 Ca 0.02 -1.11 -0.04 0.00 0.48 0.00 0.00 55.95 55.30 1xta s SER 132 Cb -0.08 -0.02 0.01 0.00 0.10 0.00 0.00 66.02 66.03 1xta s SER 132 CO 0.01 -0.40 -0.02 -0.47 0.98 0.00 0.00 173.24 173.35 1xta s TYR 133 N -3.32 3.06 -0.48 5.02 5.04 -1.26 -1.43 117.35 123.98 1xta s TYR 133 Ca 0.23 -1.21 0.04 0.00 -2.44 0.00 0.00 57.07 53.69 1xta s TYR 133 Cb 0.04 -2.13 0.13 0.00 0.35 0.00 0.00 41.96 40.35 1xta s TYR 133 CO 0.05 -0.63 0.23 0.00 -1.34 0.00 0.00 175.55 173.86 1xta h PRO 135 N 6.70 0.00 0.00 0.00 0.11 -1.96 -2.68 132.00 134.17 1xta h PRO 135 Ca -0.07 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.04 1xta h PRO 135 Cb 0.91 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.02 1xta h PRO 135 CO 0.63 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 179.08 1xta h SER 136 N 0.00 0.00 -4.40 -2.05 4.64 -1.95 -3.41 113.55 106.37 1xta h SER 136 Ca 0.00 0.00 -0.40 0.00 -0.47 0.00 0.00 61.79 60.92 1xta h SER 136 Cb 0.08 0.00 -0.20 0.00 -0.31 0.00 0.00 62.40 61.96 1xta h SER 136 CO 0.00 0.00 -0.77 -0.55 -0.87 0.00 0.00 176.83 174.64 1xta s SER 137 N -4.80 1.67 0.40 4.97 0.15 -1.01 -5.02 113.70 110.06 1xta s SER 137 Ca -0.04 -0.67 0.15 0.00 0.70 0.00 0.00 55.95 56.09 1xta s SER 137 Cb 0.11 -0.04 0.86 0.00 -1.71 0.00 0.00 66.02 65.23 1xta s SER 137 CO 0.35 -0.12 1.89 0.00 1.20 0.00 0.00 173.24 176.56 1xta h ALA 138 N 4.07 1.43 -1.23 5.45 0.00 -1.85 -3.02 119.26 124.11 1xta h ALA 138 Ca -0.40 -0.27 -0.77 0.00 0.00 0.00 0.00 54.91 53.47 1xta h ALA 138 Cb 1.19 -0.05 -0.18 0.00 0.00 0.00 0.00 17.79 18.75 1xta h ALA 138 CO 0.44 0.38 1.68 0.91 0.00 0.00 0.00 179.25 182.65 1xta n TRP 139 N -4.07 3.11 0.22 0.00 5.03 -1.26 -4.47 117.44 115.99 1xta n TRP 139 Ca -0.02 -2.85 0.08 0.00 3.03 0.00 0.00 57.50 57.74 1xta n TRP 139 Cb 0.36 -1.84 0.50 0.00 -1.03 0.00 0.00 31.31 29.30 1xta n TRP 139 CO 0.00 0.00 0.00 0.77 -0.03 0.00 0.00 177.69 178.43 1xta h SER 140 N 5.87 0.00 -3.59 -0.99 0.02 -1.40 -3.41 113.55 110.05 1xta h SER 140 Ca 0.34 0.00 -0.63 0.00 -0.84 0.00 0.00 61.79 60.66 1xta h SER 140 Cb 0.66 0.00 -0.13 0.00 0.14 0.00 0.00 62.40 63.07 1xta h SER 140 CO 1.51 0.26 0.25 -0.31 -1.14 0.00 0.00 176.83 177.40 1xta s TYR 141 N -4.05 3.06 -0.35 3.45 1.51 -0.53 0.56 117.35 121.01 1xta s TYR 141 Ca -0.02 0.19 -0.08 0.00 -1.01 0.00 0.00 57.07 56.15 1xta s TYR 141 Cb 0.13 -3.44 0.03 0.00 -0.11 0.00 0.00 41.96 38.57 1xta s TYR 141 CO 0.66 -0.85 0.14 0.12 -1.11 0.00 0.00 175.55 174.50 1xta s PHE 142 N 3.02 3.24 -0.18 2.71 5.99 -0.52 -1.44 117.98 130.82 1xta s PHE 142 Ca 0.27 -1.23 -0.09 0.00 0.00 0.00 0.00 56.93 55.87 1xta s PHE 142 Cb -0.13 -2.33 -0.05 0.00 0.00 0.00 0.00 43.02 40.51 1xta s PHE 142 CO 0.19 -0.69 0.14 0.71 -0.00 0.00 0.00 175.22 175.57 1xta s TYR 143 N 1.46 3.46 -0.07 10.12 2.02 0.27 -0.93 117.35 133.67 1xta s TYR 143 Ca -0.00 0.39 -0.01 0.00 -0.37 0.00 0.00 57.07 57.08 1xta s TYR 143 Cb -0.19 -2.11 0.03 0.00 -0.40 0.00 0.00 41.96 39.28 1xta s TYR 143 CO 0.04 0.40 -0.02 0.08 -1.57 0.00 0.00 175.55 174.48 1xta s VAL 144 N 0.00 0.55 -0.12 0.71 1.01 -0.03 -1.72 120.40 120.81 1xta s VAL 144 Ca 0.10 -0.02 0.02 0.00 0.00 0.00 0.00 61.98 62.09 1xta s VAL 144 Cb -0.11 -0.65 0.01 0.00 0.00 0.00 0.00 36.38 35.63 1xta s VAL 144 CO -0.00 0.28 -0.18 0.00 0.00 0.00 0.00 175.10 175.20 1xta s GLN 146 N 0.91 2.93 -0.07 0.00 -0.21 0.11 -1.10 119.66 122.23 1xta s GLN 146 Ca -0.07 -0.44 0.05 0.00 0.02 0.00 0.00 55.36 54.91 1xta s GLN 146 Cb -0.15 -2.75 -0.01 0.00 1.00 0.00 0.00 33.01 31.10 1xta s GLN 146 CO -0.01 0.69 -0.22 0.71 -2.12 0.00 0.00 175.29 174.34 1xta s TYR 147 N -0.88 2.54 -0.05 0.91 1.51 -0.21 -1.48 117.35 119.69 1xta s TYR 147 Ca 0.13 -0.68 0.01 0.00 -1.01 0.00 0.00 57.07 55.53 1xta s TYR 147 Cb -0.11 -1.65 0.02 0.00 -0.11 0.00 0.00 41.96 40.11 1xta s TYR 147 CO 0.03 -0.19 -0.06 0.00 -1.11 0.00 0.00 175.55 174.22 1xta s PRO 149 N 0.86 1.94 0.64 0.00 0.04 -1.26 -1.75 135.00 135.47 1xta s PRO 149 Ca -0.12 0.46 -0.18 0.00 0.04 0.00 0.00 61.00 61.20 1xta s PRO 149 Cb -0.15 -1.92 -0.02 0.00 0.04 0.00 0.00 34.50 32.46 1xta s PRO 149 CO 0.01 -1.68 1.29 0.45 0.04 0.00 0.00 177.00 177.11 1xta n SER 150 N -3.44 2.11 -1.52 6.66 2.88 -0.24 -4.28 113.62 115.78 1xta n SER 150 Ca 0.07 0.85 0.00 0.00 -1.33 0.00 0.00 58.87 58.46 1xta n SER 150 Cb 0.58 -1.55 0.00 0.00 -0.75 0.00 0.00 64.21 62.48 1xta n SER 150 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1xta n GLY 151 N 0.92 2.81 3.80 0.46 0.00 -1.26 -4.80 105.19 107.11 1xta n GLY 151 Ca 0.15 -2.12 -0.26 0.00 0.00 0.00 0.00 46.02 43.79 1xta n GLY 151 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1xta n ASN 152 N -1.86 -3.52 -4.73 1.61 3.02 -1.26 -4.91 115.26 103.61 1xta n ASN 152 Ca 0.00 -0.77 -0.42 0.00 -0.03 0.00 0.00 54.58 53.36 1xta n ASN 152 Cb 0.00 -4.08 -0.03 0.00 -0.61 0.00 0.00 39.78 35.07 1xta n ASN 152 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 1xta s PHE 153 N -3.44 2.91 -0.39 3.10 5.36 -1.26 -4.80 117.98 119.45 1xta s PHE 153 Ca 0.40 0.59 -0.45 0.00 -0.96 0.00 0.00 56.93 56.50 1xta s PHE 153 Cb -0.20 -4.05 -0.20 0.00 -0.34 0.00 0.00 43.02 38.24 1xta s PHE 153 CO 0.81 -3.78 1.48 0.00 -1.46 0.00 0.00 175.22 172.28 1xta n GLN 154 N 3.34 0.02 -0.16 10.12 10.64 -1.26 -1.66 117.38 138.41 1xta n GLN 154 Ca 0.12 0.01 0.00 0.00 -1.83 0.00 0.00 57.00 55.30 1xta n GLN 154 Cb 0.37 -1.51 0.00 0.00 -0.86 0.00 0.00 30.24 28.24 1xta n GLN 154 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1xta n GLY 155 N 3.45 1.18 0.44 2.61 0.00 -1.26 -4.91 105.19 106.70 1xta n GLY 155 Ca 0.28 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.37 1xta n GLY 155 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1xta n LYS 156 N -2.00 0.96 0.27 1.61 5.02 -0.66 -4.77 118.16 118.58 1xta n LYS 156 Ca 0.00 -2.38 0.15 0.00 -2.02 0.00 0.00 58.31 54.07 1xta n LYS 156 Cb 0.00 -1.17 0.66 0.00 -0.02 0.00 0.00 35.03 34.51 1xta n LYS 156 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1xta h THR 157 N 2.41 0.19 0.00 -0.18 1.03 -1.91 -2.89 112.91 111.56 1xta h THR 157 Ca -0.03 -0.64 -0.03 0.00 -0.01 0.00 0.00 66.41 65.71 1xta h THR 157 Cb 1.18 1.53 -0.00 0.00 -1.07 0.00 0.00 68.15 69.79 1xta h THR 157 CO 0.01 0.06 -0.12 0.00 -0.01 0.00 0.00 175.52 175.47 1xta h ALA 158 N 1.93 1.06 -2.31 0.00 0.00 -1.89 -3.32 119.26 114.73 1xta h ALA 158 Ca -0.00 -0.11 -0.59 0.00 0.00 0.00 0.00 54.91 54.21 1xta h ALA 158 Cb 0.53 -0.02 -0.40 0.00 0.00 0.00 0.00 17.79 17.90 1xta h ALA 158 CO 0.01 0.15 -0.86 0.25 0.00 0.00 0.00 179.25 178.80 1xta n THR 159 N -3.32 0.31 0.21 0.00 -2.24 -1.09 -0.94 114.28 107.21 1xta n THR 159 Ca -0.00 -4.31 0.06 0.00 -2.27 0.00 0.00 64.05 57.52 1xta n THR 159 Cb 0.33 -1.96 0.26 0.00 -2.10 0.00 0.00 70.33 66.87 1xta n THR 159 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 1xta n PRO 160 N 1.70 0.05 -3.87 -0.78 -0.04 -1.25 -4.77 135.00 126.04 1xta n PRO 160 Ca 0.25 0.46 -0.08 0.00 -0.04 0.00 0.00 63.50 64.08 1xta n PRO 160 Cb 0.46 -1.64 -0.04 0.00 -0.04 0.00 0.00 33.50 32.24 1xta n PRO 160 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 1xta s TYR 161 N -3.15 0.01 -0.19 0.54 -0.85 -1.26 -1.26 117.35 111.18 1xta s TYR 161 Ca 0.02 -0.40 -0.27 0.00 -0.52 0.00 0.00 57.07 55.89 1xta s TYR 161 Cb 0.05 0.45 -0.00 0.00 0.38 0.00 0.00 41.96 42.84 1xta s TYR 161 CO 0.16 -1.07 0.94 0.15 -1.52 0.00 0.00 175.55 174.21 1xta s LYS 162 N -3.94 4.28 0.12 -3.49 -0.14 -1.26 -5.00 119.74 110.31 1xta s LYS 162 Ca 0.14 1.20 -0.31 0.00 -1.36 0.00 0.00 55.97 55.65 1xta s LYS 162 Cb -0.03 -3.61 -0.07 0.00 -1.68 0.00 0.00 37.83 32.44 1xta s LYS 162 CO 0.05 -0.48 1.31 -1.17 -0.76 0.00 0.00 175.35 174.31 1xta s LEU 163 N 2.66 4.38 0.00 3.17 2.96 -1.26 -0.69 118.68 129.90 1xta s LEU 163 Ca 0.42 2.25 0.00 0.00 -0.22 0.00 0.00 54.13 56.57 1xta s LEU 163 Cb -0.16 -3.59 0.00 0.00 0.50 0.00 0.00 46.19 42.94 1xta s LEU 163 CO 0.10 -0.57 0.00 0.61 -1.32 0.00 0.00 176.35 175.17 1xta n GLY 164 N 3.16 -1.72 3.77 7.98 0.00 -1.08 -4.71 105.19 112.59 1xta n GLY 164 Ca 0.09 -1.20 -0.39 0.00 0.00 0.00 0.00 46.02 44.52 1xta n GLY 164 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1xta s PRO 165 N -1.80 4.01 0.20 1.61 0.02 -1.26 -3.54 135.00 134.24 1xta s PRO 165 Ca 0.00 2.04 -0.32 0.00 0.02 0.00 0.00 61.00 62.74 1xta s PRO 165 Cb 0.00 -2.74 -0.14 0.00 0.02 0.00 0.00 34.50 31.64 1xta s PRO 165 CO 0.00 -0.42 1.45 -0.35 -0.33 0.00 0.00 177.00 177.35 1xta n PRO 166 N 0.14 1.98 -1.26 5.54 -0.04 -1.22 -0.64 135.00 139.50 1xta n PRO 166 Ca 0.04 0.71 -0.09 0.00 -0.04 0.00 0.00 63.50 64.12 1xta n PRO 166 Cb 0.45 -2.39 -0.04 0.00 -0.04 0.00 0.00 33.50 31.48 1xta n PRO 166 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1xta h GLY 168 N 0.00 0.55 0.07 0.00 0.00 -0.59 -0.51 103.07 102.59 1xta h GLY 168 Ca -0.18 -0.17 0.00 0.00 0.00 0.00 0.00 47.33 46.98 1xta h GLY 168 CO 0.27 0.11 -0.18 1.22 0.00 0.00 0.00 176.54 177.96 1xta n ASP 169 N -4.47 1.13 -3.10 0.19 10.43 -0.32 -4.37 116.55 116.04 1xta n ASP 169 Ca 0.09 -1.05 -0.16 0.00 2.57 0.00 0.00 54.79 56.24 1xta n ASP 169 Cb 0.34 0.09 -0.01 0.00 1.84 0.00 0.00 41.12 43.38 1xta n ASP 169 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1xta h PRO 171 N 2.99 0.00 -0.39 0.00 0.13 -1.67 -2.06 132.00 131.00 1xta h PRO 171 Ca 0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.19 1xta h PRO 171 Cb 1.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.13 1xta h PRO 171 CO 0.45 0.00 0.00 -1.13 -0.23 0.00 0.00 178.00 177.09 1xta n SER 172 N -3.86 3.33 -2.99 1.44 3.41 -1.26 -4.56 113.62 109.13 1xta n SER 172 Ca 0.02 -2.21 -0.14 0.00 -0.26 0.00 0.00 58.87 56.27 1xta n SER 172 Cb 0.33 -0.34 0.00 0.00 -0.26 0.00 0.00 64.21 63.94 1xta n SER 172 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xta n ALA 173 N 0.49 1.99 -2.37 7.33 0.00 -0.78 -5.08 120.51 122.10 1xta n ALA 173 Ca 0.16 -3.03 -0.32 0.00 0.00 0.00 0.00 53.44 50.25 1xta n ALA 173 Cb 0.56 -0.96 -0.15 0.00 0.00 0.00 0.00 19.45 18.90 1xta n ALA 173 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xta s ASP 175 N -0.70 3.61 -1.30 0.00 2.15 0.74 -4.90 116.67 116.27 1xta s ASP 175 Ca 0.11 -2.38 -0.12 0.00 0.43 0.00 0.00 52.55 50.59 1xta s ASP 175 Cb -0.10 -0.90 0.00 0.00 -0.30 0.00 0.00 42.92 41.62 1xta s ASP 175 CO -0.00 -0.30 0.54 -3.20 -0.17 0.00 0.00 175.17 172.04 1xta n ASN 176 N 3.86 -2.42 0.00 -0.34 4.05 -1.26 -1.97 115.26 117.19 1xta n ASN 176 Ca 0.07 -1.08 0.00 0.00 0.45 0.00 0.00 54.58 54.02 1xta n ASN 176 Cb 0.36 -2.81 0.00 0.00 1.23 0.00 0.00 39.78 38.56 1xta n ASN 176 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1xta n GLY 177 N -1.96 0.89 3.29 8.20 0.00 -1.26 -4.96 105.19 109.39 1xta n GLY 177 Ca -0.21 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.49 1xta n GLY 177 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xta s LEU 178 N 0.00 2.14 0.28 0.99 1.43 -0.83 -4.11 118.68 118.58 1xta s LEU 178 Ca 0.00 -0.48 -0.29 0.00 -1.03 0.00 0.00 54.13 52.33 1xta s LEU 178 Cb 0.00 -1.39 -0.09 0.00 0.03 0.00 0.00 46.19 44.74 1xta s LEU 178 CO 0.00 0.26 1.05 0.00 0.23 0.00 0.00 176.35 177.89 1xta n THR 180 N 1.10 2.00 -3.21 0.00 -2.24 0.53 -0.28 114.28 112.18 1xta n THR 180 Ca -0.01 -2.13 -0.26 0.00 -2.27 0.00 0.00 64.05 59.39 1xta n THR 180 Cb 0.46 -0.23 -0.06 0.00 -2.10 0.00 0.00 70.33 68.40 1xta n THR 180 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1xta n ASN 181 N -1.13 3.61 -4.77 3.42 6.94 -1.26 -5.04 115.26 117.03 1xta n ASN 181 Ca 0.17 -3.46 -0.37 0.00 -0.02 0.00 0.00 54.58 50.90 1xta n ASN 181 Cb 0.71 -0.62 -0.02 0.00 -2.36 0.00 0.00 39.78 37.49 1xta n ASN 181 CO 0.00 0.00 0.00 -2.16 -1.03 0.00 0.00 177.26 174.07 1xta s PRO 182 N -2.76 3.91 -0.70 -0.53 0.04 -1.26 -0.30 135.00 133.40 1xta s PRO 182 Ca 0.43 1.73 -0.25 0.00 0.04 0.00 0.00 61.00 62.96 1xta s PRO 182 Cb 0.21 -2.49 0.05 0.00 0.04 0.00 0.00 34.50 32.31 1xta s PRO 182 CO -0.07 -0.41 1.11 0.00 0.04 0.00 0.00 177.00 177.67 1xta h THR 184 N 6.00 0.00 -2.48 0.00 1.03 -1.92 -3.42 112.91 112.11 1xta h THR 184 Ca -0.28 0.00 -0.54 0.00 -0.01 0.00 0.00 66.41 65.57 1xta h THR 184 Cb 1.06 0.64 -0.06 0.00 -1.07 0.00 0.00 68.15 68.72 1xta h THR 184 CO 1.23 0.00 -0.55 0.27 -0.01 0.00 0.00 175.52 176.46 1xta s ILE 185 N -3.86 4.42 0.02 0.00 -4.36 -1.26 -5.12 121.20 111.04 1xta s ILE 185 Ca -0.03 -1.25 0.01 0.00 -0.26 0.00 0.00 60.65 59.13 1xta s ILE 185 Cb 0.08 -3.32 -0.01 0.00 1.25 0.00 0.00 42.46 40.46 1xta s ILE 185 CO 0.26 -0.22 -0.05 -0.31 0.24 0.00 0.00 174.94 174.86 1xta s TYR 186 N -1.92 0.47 0.82 1.37 1.51 -1.26 -4.44 117.35 113.90 1xta s TYR 186 Ca 0.32 -0.32 -0.11 0.00 -1.01 0.00 0.00 57.07 55.94 1xta s TYR 186 Cb -0.09 -0.29 0.08 0.00 -0.11 0.00 0.00 41.96 41.55 1xta s TYR 186 CO 0.24 -0.07 1.09 -0.80 -1.11 0.00 0.00 175.55 174.90 1xta s ASN 187 N -0.93 4.17 -0.08 2.29 0.02 -1.26 -4.41 114.94 114.74 1xta s ASN 187 Ca -0.06 1.56 0.12 0.00 -1.02 0.00 0.00 52.86 53.46 1xta s ASN 187 Cb -0.06 -2.28 0.19 0.00 0.02 0.00 0.00 41.25 39.11 1xta s ASN 187 CO -0.00 -2.21 1.09 0.29 0.02 0.00 0.00 177.10 176.29 1xta n LYS 188 N -3.61 1.78 -4.28 -0.60 5.02 0.10 -4.98 118.16 111.60 1xta n LYS 188 Ca 0.08 -2.17 -0.23 0.00 -2.02 0.00 0.00 58.31 53.97 1xta n LYS 188 Cb 0.55 -1.30 -0.07 0.00 -0.02 0.00 0.00 35.03 34.18 1xta n LYS 188 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1xta n LEU 189 N -1.09 0.00 0.04 -0.35 4.77 -1.26 -5.07 117.00 114.05 1xta n LEU 189 Ca 0.10 -3.02 0.10 0.00 -0.03 0.00 0.00 56.01 53.17 1xta n LEU 189 Cb 0.52 1.14 -0.09 0.00 -2.33 0.00 0.00 43.42 42.66 1xta n LEU 189 CO 0.01 -0.47 -0.38 1.07 -1.33 0.00 0.00 177.39 176.28 1xta n THR 190 N -0.82 0.37 -3.27 -5.08 5.66 -1.26 -4.71 114.28 105.17 1xta n THR 190 Ca -0.03 -0.54 -0.20 0.00 -3.05 0.00 0.00 64.05 60.23 1xta n THR 190 Cb 0.59 -0.20 -0.08 0.00 -1.55 0.00 0.00 70.33 69.09 1xta n THR 190 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 1xta s ASN 191 N -4.99 0.96 -0.16 1.09 4.22 -1.26 -4.98 114.94 109.83 1xta s ASN 191 Ca -0.04 -2.37 -0.21 0.00 -2.14 0.00 0.00 52.86 48.10 1xta s ASN 191 Cb 0.11 0.25 -0.18 0.00 1.28 0.00 0.00 41.25 42.72 1xta s ASN 191 CO 0.85 -0.18 0.35 0.00 -2.04 0.00 0.00 177.10 176.08 1xta h ASP 193 N -1.00 0.00 0.21 0.00 3.32 -1.95 -0.25 116.42 116.75 1xta h ASP 193 Ca -0.14 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.91 1xta h ASP 193 Cb 0.96 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.51 1xta h ASP 193 CO -0.09 0.00 0.00 -0.24 -1.72 0.00 0.00 179.24 177.19 1xta n SER 194 N -3.25 0.00 -1.73 6.45 2.88 -1.26 -2.13 113.62 114.58 1xta n SER 194 Ca -0.02 0.16 -0.09 0.00 -1.33 0.00 0.00 58.87 57.59 1xta n SER 194 Cb 0.20 -0.30 0.18 0.00 -0.75 0.00 0.00 64.21 63.55 1xta n SER 194 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1xta n LEU 195 N -1.30 5.19 -4.73 2.46 4.32 -0.11 -4.87 117.00 117.97 1xta n LEU 195 Ca 0.05 -2.71 -0.42 0.00 -0.02 0.00 0.00 56.01 52.91 1xta n LEU 195 Cb 0.09 -0.70 -0.03 0.00 -1.62 0.00 0.00 43.42 41.16 1xta n LEU 195 CO 0.08 0.76 1.07 -0.22 -1.22 0.00 0.00 177.39 177.85 1xta s LEU 196 N -2.19 4.39 -1.96 2.23 1.98 -0.91 -1.02 118.68 121.20 1xta s LEU 196 Ca 0.40 2.47 0.00 0.00 -2.89 0.00 0.00 54.13 54.11 1xta s LEU 196 Cb 0.32 -3.60 0.00 0.00 0.66 0.00 0.00 46.19 43.57 1xta s LEU 196 CO 0.09 -0.64 0.00 0.29 -1.89 0.00 0.00 176.35 174.20 1xta n LYS 197 N 3.13 -1.41 -3.69 1.98 4.76 -1.26 -4.88 118.16 116.79 1xta n LYS 197 Ca 0.09 1.09 -0.28 0.00 -2.87 0.00 0.00 58.31 56.33 1xta n LYS 197 Cb 0.41 -5.43 -0.12 0.00 -1.84 0.00 0.00 35.03 28.05 1xta n LYS 197 CO 0.00 0.00 0.00 -1.14 -1.37 0.00 0.00 177.40 174.89 1xta s GLN 198 N -3.57 1.55 0.00 1.97 0.74 -0.19 -4.80 119.66 115.35 1xta s GLN 198 Ca 0.00 -2.44 0.00 0.00 0.05 0.00 0.00 55.36 52.97 1xta s GLN 198 Cb 0.00 -2.43 0.00 0.00 1.10 0.00 0.00 33.01 31.68 1xta s GLN 198 CO 0.00 -1.26 0.00 0.45 -0.55 0.00 0.00 175.29 173.93 1xta n SER 199 N 2.89 0.00 -0.21 6.67 2.88 -1.26 -4.73 113.62 119.86 1xta n SER 199 Ca 0.17 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.71 1xta n SER 199 Cb 0.38 -0.27 0.00 0.00 -0.75 0.00 0.00 64.21 63.57 1xta n SER 199 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1xta n SER 200 N 0.00 -2.64 0.20 -3.46 7.64 -1.25 -2.99 113.62 111.12 1xta n SER 200 Ca 0.00 0.00 0.13 0.00 1.01 0.00 0.00 58.87 60.01 1xta n SER 200 Cb 0.00 0.00 0.33 0.00 -1.01 0.00 0.00 64.21 63.53 1xta n SER 200 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1xta h GLN 202 N 0.00 0.00 -6.34 0.00 4.20 -1.99 -3.39 115.11 107.58 1xta h GLN 202 Ca 0.00 0.00 -0.55 0.00 0.06 0.00 0.00 58.65 58.16 1xta h GLN 202 Cb 0.82 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.60 1xta h GLN 202 CO 0.00 0.05 0.86 0.34 -0.67 0.00 0.00 178.83 179.41 1xta s ASP 203 N -6.19 6.84 0.19 1.46 2.15 -1.16 -4.92 116.67 115.04 1xta s ASP 203 Ca 0.06 2.09 -0.13 0.00 0.43 0.00 0.00 52.55 55.00 1xta s ASP 203 Cb 0.05 -2.56 0.20 0.00 -0.30 0.00 0.00 42.92 40.32 1xta s ASP 203 CO 0.68 -0.74 1.71 0.44 -0.17 0.00 0.00 175.17 177.09 1xta h ASP 204 N 8.04 -0.02 -0.54 -0.34 5.19 -1.93 -1.51 116.42 125.30 1xta h ASP 204 Ca -0.37 0.09 0.00 0.00 -0.62 0.00 0.00 57.03 56.14 1xta h ASP 204 Cb 1.17 0.13 -0.03 0.00 0.18 0.00 0.00 39.33 40.79 1xta h ASP 204 CO 0.91 0.02 0.35 -0.25 -3.12 0.00 0.00 179.24 177.15 1xta h TRP 205 N 0.23 0.68 0.08 4.55 7.01 -1.97 -1.75 115.95 124.78 1xta h TRP 205 Ca 0.25 0.01 -0.00 0.00 2.11 0.00 0.00 58.89 61.26 1xta h TRP 205 Cb 0.35 -0.23 0.00 0.00 -2.10 0.00 0.00 29.16 27.18 1xta h TRP 205 CO -0.23 0.44 -0.04 0.82 -2.79 0.00 0.00 178.44 176.64 1xta h ILE 206 N 0.73 1.04 0.00 2.65 2.04 -1.75 0.12 117.51 122.33 1xta h ILE 206 Ca 0.20 -0.40 -0.01 0.00 1.00 0.00 0.00 64.86 65.65 1xta h ILE 206 Cb -0.07 1.30 -0.00 0.00 -0.74 0.00 0.00 36.82 37.31 1xta h ILE 206 CO -0.04 0.10 -0.05 0.07 0.00 0.00 0.00 178.15 178.23 1xta h LYS 207 N -0.28 0.00 0.00 2.37 2.10 -1.23 1.22 116.57 120.74 1xta h LYS 207 Ca -0.01 0.00 -0.22 0.00 -2.00 0.00 0.00 60.65 58.42 1xta h LYS 207 Cb 0.24 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.54 1xta h LYS 207 CO 0.02 0.05 -1.11 1.03 -2.00 0.00 0.00 179.45 177.44 1xta h SER 208 N 0.00 0.00 0.00 7.07 0.87 -0.90 -3.26 113.55 117.33 1xta h SER 208 Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1xta h SER 208 Cb 0.11 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.07 1xta h SER 208 CO 0.01 0.97 -0.88 0.59 -0.53 0.00 0.00 176.83 176.99 1xta n ASN 209 N -3.29 0.88 -2.58 6.23 3.02 0.37 -4.60 115.26 115.30 1xta n ASN 209 Ca -0.03 -0.65 -0.16 0.00 -0.03 0.00 0.00 54.58 53.71 1xta n ASN 209 Cb 0.95 1.14 0.02 0.00 -0.61 0.00 0.00 39.78 41.28 1xta n ASN 209 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1xta h PRO 211 N 2.79 0.41 0.06 0.00 0.13 -1.72 -2.56 132.00 131.10 1xta h PRO 211 Ca 0.07 -0.02 -0.00 0.00 -0.87 0.00 0.00 66.00 65.17 1xta h PRO 211 Cb 1.10 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.14 1xta h PRO 211 CO 0.63 0.27 -0.03 0.00 -0.23 0.00 0.00 178.00 178.64 1xta h ALA 212 N 1.71 -0.08 0.00 -0.56 0.00 -1.77 0.15 119.26 118.71 1xta h ALA 212 Ca 0.26 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1xta h ALA 212 Cb 0.47 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1xta h ALA 212 CO -0.07 -0.40 0.00 0.45 0.00 0.00 0.00 179.25 179.23 1xta n SER 213 N -4.99 0.05 -0.05 0.00 2.88 -1.06 -2.28 113.62 108.16 1xta n SER 213 Ca -0.08 0.51 -0.06 0.00 -1.33 0.00 0.00 58.87 57.92 1xta n SER 213 Cb 0.18 -0.52 -0.09 0.00 -0.75 0.00 0.00 64.21 63.03 1xta n SER 213 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1xta n PHE 215 N -2.41 0.00 -3.39 0.00 3.72 0.51 -4.97 117.46 110.91 1xta n PHE 215 Ca -0.18 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 56.81 1xta n PHE 215 Cb 0.86 0.00 -0.09 0.00 -0.94 0.00 0.00 39.48 39.31 1xta n PHE 215 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1xta n ARG 217 N 5.41 0.00 -1.87 0.00 0.63 -1.26 -4.71 116.66 114.85 1xta n ARG 217 Ca -0.09 0.06 -0.40 0.00 -0.92 0.00 0.00 57.85 56.51 1xta n ARG 217 Cb 0.49 -0.37 0.04 0.00 0.45 0.00 0.00 32.46 33.07 1xta n ARG 217 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 1xta n ASN 218 N -1.84 7.54 -4.26 6.15 3.02 -1.26 -4.94 115.26 119.68 1xta n ASN 218 Ca 0.00 -3.84 -0.17 0.00 -0.03 0.00 0.00 54.58 50.54 1xta n ASN 218 Cb 0.00 -1.06 -0.11 0.00 -0.61 0.00 0.00 39.78 38.00 1xta n ASN 218 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1xta s LYS 219 N -4.06 1.07 -0.08 3.52 1.02 -1.26 -4.96 119.74 114.99 1xta s LYS 219 Ca 0.53 -1.34 -0.30 0.00 0.02 0.00 0.00 55.97 54.89 1xta s LYS 219 Cb 0.45 -0.86 -0.04 0.00 -0.52 0.00 0.00 37.83 36.85 1xta s LYS 219 CO -0.39 0.15 1.41 0.42 -0.92 0.00 0.00 175.35 176.02 1xta s ILE 220 N -2.54 3.91 0.00 2.17 -1.09 0.59 -4.74 121.20 119.51 1xta s ILE 220 Ca 0.13 1.18 0.00 0.00 -2.23 0.00 0.00 60.65 59.73 1xta s ILE 220 Cb -0.03 -3.76 0.00 0.00 -1.58 0.00 0.00 42.46 37.09 1xta s ILE 220 CO 0.03 -0.07 0.00 0.00 -1.23 0.00 0.00 174.94 173.67