#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aee s VAL 5 N 0.00 3.95 -0.30 4.08 1.01 -1.26 -4.80 120.40 123.08 1aee s VAL 5 Ca 0.00 -0.36 0.03 0.00 0.00 0.00 0.00 61.98 61.65 1aee s VAL 5 Cb 0.00 -2.69 0.08 0.00 0.00 0.00 0.00 36.38 33.77 1aee s VAL 5 CO 0.00 0.54 -0.00 -1.00 0.00 0.00 0.00 175.10 174.64 1aee s HIS 6 N -0.15 3.19 -0.19 5.22 3.76 -1.26 -5.06 115.29 120.80 1aee s HIS 6 Ca 0.03 -2.49 -0.14 0.00 -0.15 0.00 0.00 55.06 52.31 1aee s HIS 6 Cb -0.13 -2.32 -0.04 0.00 1.11 0.00 0.00 32.58 31.20 1aee s HIS 6 CO 0.02 -0.90 0.30 0.08 -0.85 0.00 0.00 174.74 173.40 1aee s VAL 7 N 1.11 5.28 0.19 -0.90 1.01 -1.26 -0.31 120.40 125.52 1aee s VAL 7 Ca 0.03 0.54 -0.31 0.00 0.00 0.00 0.00 61.98 62.23 1aee s VAL 7 Cb -0.19 -3.64 -0.11 0.00 0.00 0.00 0.00 36.38 32.44 1aee s VAL 7 CO -0.09 0.33 1.60 0.00 0.00 0.00 0.00 175.10 176.94 1aee s ALA 8 N 0.87 3.81 -0.25 5.51 0.00 0.02 -4.86 121.76 126.85 1aee s ALA 8 Ca 0.16 1.44 0.00 0.00 0.00 0.00 0.00 51.96 53.56 1aee s ALA 8 Cb -0.14 -3.64 0.07 0.00 0.00 0.00 0.00 23.12 19.42 1aee s ALA 8 CO 0.05 -0.83 -0.01 0.45 0.00 0.00 0.00 175.76 175.43 1aee s SER 9 N 1.03 3.81 0.20 0.00 0.15 0.15 -4.71 113.70 114.34 1aee s SER 9 Ca 0.70 -1.28 -0.33 0.00 0.70 0.00 0.00 55.95 55.74 1aee s SER 9 Cb -0.45 -1.07 -0.14 0.00 -1.71 0.00 0.00 66.02 62.65 1aee s SER 9 CO 0.34 -0.29 1.52 0.52 1.20 0.00 0.00 173.24 176.53 1aee n VAL 10 N 4.72 0.40 -1.61 4.45 0.31 -1.26 -4.26 118.33 121.08 1aee n VAL 10 Ca -0.08 -0.10 -0.49 0.00 -0.01 0.00 0.00 64.34 63.66 1aee n VAL 10 Cb 0.44 -1.54 -0.04 0.00 -0.91 0.00 0.00 33.84 31.78 1aee n VAL 10 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1aee n GLU 11 N 2.85 1.41 -1.68 5.55 4.71 -1.26 -4.71 120.64 127.51 1aee n GLU 11 Ca 0.15 0.51 -0.53 0.00 -0.01 0.00 0.00 57.16 57.27 1aee n GLU 11 Cb 0.30 -2.10 -0.06 0.00 -1.01 0.00 0.00 31.44 28.57 1aee n GLU 11 CO 0.00 0.00 0.00 1.17 0.09 0.00 0.00 177.13 178.39 1aee n LYS 12 N 2.21 1.60 -0.87 3.49 4.81 -1.26 -1.92 118.16 126.22 1aee n LYS 12 Ca 0.16 0.58 0.00 0.00 -0.87 0.00 0.00 58.31 58.18 1aee n LYS 12 Cb 0.25 -2.37 0.00 0.00 0.02 0.00 0.00 35.03 32.93 1aee n LYS 12 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1aee n GLY 13 N 4.44 0.61 3.80 3.14 0.00 -1.26 -5.00 105.19 110.92 1aee n GLY 13 Ca 0.26 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.93 1aee n GLY 13 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1aee s ARG 14 N -0.39 4.22 0.07 1.61 1.81 -0.81 -5.07 118.95 120.38 1aee s ARG 14 Ca 0.00 1.32 0.01 0.00 -1.72 0.00 0.00 55.73 55.34 1aee s ARG 14 Cb 0.00 -2.40 -0.00 0.00 -0.45 0.00 0.00 34.95 32.09 1aee s ARG 14 CO 0.00 -0.06 0.05 -1.13 -0.68 0.00 0.00 175.30 173.47 1aee n SER 15 N -0.27 0.25 -0.29 0.23 3.41 -1.26 -4.92 113.62 110.76 1aee n SER 15 Ca 0.06 -1.42 0.10 0.00 -0.26 0.00 0.00 58.87 57.35 1aee n SER 15 Cb 0.52 0.28 0.23 0.00 -0.26 0.00 0.00 64.21 64.98 1aee n SER 15 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 175.04 175.10 1aee h TYR 16 N 1.18 0.10 -0.46 7.33 3.20 -2.00 -1.67 116.97 124.66 1aee h TYR 16 Ca -0.05 0.06 -0.00 0.00 3.14 0.00 0.00 58.73 61.87 1aee h TYR 16 Cb 0.23 0.09 -0.02 0.00 1.54 0.00 0.00 36.73 38.57 1aee h TYR 16 CO 0.00 -0.27 0.27 0.93 -1.64 0.00 0.00 178.16 177.45 1aee h GLU 17 N 0.12 0.61 -0.05 1.82 3.07 -1.99 -0.38 114.58 117.79 1aee h GLU 17 Ca 0.50 -0.05 -0.00 0.00 -0.50 0.00 0.00 59.36 59.31 1aee h GLU 17 Cb 0.98 -0.13 -0.00 0.00 -0.84 0.00 0.00 28.75 28.75 1aee h GLU 17 CO -0.72 0.44 0.01 -0.44 -1.40 0.00 0.00 179.01 176.90 1aee h ASP 18 N 0.63 0.07 0.22 1.42 3.32 -1.71 -2.41 116.42 117.96 1aee h ASP 18 Ca 0.16 -0.24 -0.13 0.00 0.02 0.00 0.00 57.03 56.85 1aee h ASP 18 Cb -0.02 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.50 1aee h ASP 18 CO -0.03 0.29 -0.47 -0.26 -1.72 0.00 0.00 179.24 177.05 1aee h PHE 19 N -0.15 0.37 -0.07 4.55 0.04 -1.36 -1.91 116.94 118.40 1aee h PHE 19 Ca 0.01 -0.12 -0.03 0.00 2.80 0.00 0.00 57.97 60.63 1aee h PHE 19 Cb 0.25 -0.08 -0.01 0.00 2.20 0.00 0.00 35.95 38.32 1aee h PHE 19 CO 0.01 0.73 -0.12 0.37 -0.60 0.00 0.00 178.31 178.70 1aee h GLN 20 N 0.25 0.10 -0.45 1.51 5.75 -1.07 0.90 115.11 122.10 1aee h GLN 20 Ca 0.01 -0.02 -0.08 0.00 -0.15 0.00 0.00 58.65 58.41 1aee h GLN 20 Cb 0.93 -0.02 -0.02 0.00 1.07 0.00 0.00 27.48 29.45 1aee h GLN 20 CO 0.08 0.23 -0.04 0.87 -2.65 0.00 0.00 178.83 177.32 1aee h LYS 21 N 0.10 0.82 -0.37 1.69 1.57 -0.82 -0.48 116.57 119.09 1aee h LYS 21 Ca 0.02 -0.28 -0.05 0.00 -1.87 0.00 0.00 60.65 58.47 1aee h LYS 21 Cb 0.28 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.51 1aee h LYS 21 CO 0.02 0.90 0.05 0.28 -0.57 0.00 0.00 179.45 180.13 1aee h VAL 22 N 0.67 1.24 -0.15 0.50 2.07 -1.08 -1.01 116.25 118.48 1aee h VAL 22 Ca 0.12 -0.88 0.05 0.00 0.82 0.00 0.00 66.70 66.81 1aee h VAL 22 Cb 0.56 1.10 -0.07 0.00 -1.52 0.00 0.00 31.29 31.36 1aee h VAL 22 CO 0.03 0.30 -0.39 0.22 0.02 0.00 0.00 177.57 177.75 1aee h TYR 23 N 0.45 -1.11 -0.53 1.57 5.03 -0.78 -1.73 116.97 119.87 1aee h TYR 23 Ca 0.11 0.05 0.01 0.00 2.58 0.00 0.00 58.73 61.48 1aee h TYR 23 Cb 0.38 0.51 -0.03 0.00 1.55 0.00 0.00 36.73 39.14 1aee h TYR 23 CO 0.03 -0.45 0.35 -0.91 -1.32 0.00 0.00 178.16 175.85 1aee h ASN 24 N -0.45 0.57 -0.33 -2.11 -0.26 -0.97 0.13 115.58 112.16 1aee h ASN 24 Ca 0.09 -0.01 -0.03 0.00 -0.56 0.00 0.00 56.30 55.78 1aee h ASN 24 Cb 0.60 -0.14 -0.01 0.00 -1.06 0.00 0.00 38.32 37.71 1aee h ASN 24 CO -0.40 0.41 0.07 0.00 -1.06 0.00 0.00 177.43 176.45 1aee h ALA 25 N 1.68 0.43 -0.10 -0.83 0.00 -0.66 -0.70 119.26 119.08 1aee h ALA 25 Ca 0.20 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1aee h ALA 25 Cb -0.02 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 1aee h ALA 25 CO -0.05 0.11 0.05 0.82 0.00 0.00 0.00 179.25 180.18 1aee h ILE 26 N 0.37 1.09 -0.51 0.00 2.04 -0.76 -2.39 117.51 117.35 1aee h ILE 26 Ca 0.10 -0.26 -0.01 0.00 1.00 0.00 0.00 64.86 65.69 1aee h ILE 26 Cb 0.31 1.09 -0.02 0.00 -0.74 0.00 0.00 36.82 37.46 1aee h ILE 26 CO 0.00 0.08 0.27 0.00 0.00 0.00 0.00 178.15 178.51 1aee h ALA 27 N 0.95 1.53 -0.33 1.87 0.00 -0.87 -0.49 119.26 121.92 1aee h ALA 27 Ca 0.03 -0.08 -0.17 0.00 0.00 0.00 0.00 54.91 54.69 1aee h ALA 27 Cb 0.09 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 1aee h ALA 27 CO -0.01 0.39 -0.45 -0.07 0.00 0.00 0.00 179.25 179.11 1aee h LEU 28 N 0.70 0.93 -0.65 0.00 4.07 -1.06 -2.43 115.31 116.87 1aee h LEU 28 Ca 0.18 -0.46 -0.14 0.00 0.08 0.00 0.00 57.88 57.55 1aee h LEU 28 Cb 0.02 -0.26 -0.02 0.00 1.08 0.00 0.00 40.66 41.48 1aee h LEU 28 CO -0.03 1.24 -0.65 0.50 -1.08 0.00 0.00 178.44 178.42 1aee h LYS 29 N 0.69 0.00 -0.61 1.13 3.64 -0.88 -2.07 116.57 118.47 1aee h LYS 29 Ca 0.04 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.42 1aee h LYS 29 Cb 1.04 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.83 1aee h LYS 29 CO 0.10 0.65 0.36 -0.07 -2.27 0.00 0.00 179.45 178.22 1aee h LEU 30 N 0.00 0.72 -0.21 5.20 3.38 -0.95 0.71 115.31 124.16 1aee h LEU 30 Ca -0.01 -0.04 -0.17 0.00 0.09 0.00 0.00 57.88 57.76 1aee h LEU 30 Cb 1.18 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.75 1aee h LEU 30 CO 0.08 0.56 -0.53 -0.09 0.09 0.00 0.00 178.44 178.55 1aee h ARG 31 N 0.83 0.73 0.12 1.13 2.43 -1.23 -3.37 114.38 115.03 1aee h ARG 31 Ca 0.22 -0.51 -0.01 0.00 -0.81 0.00 0.00 59.98 58.88 1aee h ARG 31 Cb -0.03 0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.60 1aee h ARG 31 CO -0.04 1.13 -0.06 1.49 -1.51 0.00 0.00 179.97 180.98 1aee h GLU 32 N 0.45 -0.16 -2.56 0.20 4.81 -1.03 -3.33 114.58 112.97 1aee h GLU 32 Ca -0.01 0.01 -0.59 0.00 -0.13 0.00 0.00 59.36 58.64 1aee h GLU 32 Cb 1.14 0.04 -0.07 0.00 0.63 0.00 0.00 28.75 30.49 1aee h GLU 32 CO 0.12 0.32 2.16 -0.25 -0.73 0.00 0.00 179.01 180.62 1aee n ASP 33 N -4.91 7.62 0.05 1.04 9.92 0.21 -4.68 116.55 125.80 1aee n ASP 33 Ca -0.08 -2.84 0.12 0.00 -0.53 0.00 0.00 54.79 51.46 1aee n ASP 33 Cb 0.27 -1.42 0.49 0.00 -0.64 0.00 0.00 41.12 39.82 1aee n ASP 33 CO 0.00 0.00 0.00 -0.90 0.13 0.00 0.00 177.20 176.43 1aee n ASP 34 N 2.37 0.35 0.17 -2.24 5.75 -1.25 -3.84 116.55 117.86 1aee n ASP 34 Ca 0.63 0.54 0.07 0.00 -0.01 0.00 0.00 54.79 56.02 1aee n ASP 34 Cb 0.40 -0.63 0.09 0.00 -1.03 0.00 0.00 41.12 39.94 1aee n ASP 34 CO 0.00 0.00 0.00 1.05 -0.11 0.00 0.00 177.20 178.14 1aee h GLU 35 N 0.00 0.00 -6.33 0.11 9.09 -1.90 -3.34 114.58 112.20 1aee h GLU 35 Ca 0.00 0.00 -0.64 0.00 0.05 0.00 0.00 59.36 58.77 1aee h GLU 35 Cb 0.53 0.00 0.09 0.00 -1.65 0.00 0.00 28.75 27.72 1aee h GLU 35 CO 0.00 0.29 0.14 0.98 0.05 0.00 0.00 179.01 180.47 1aee n TYR 36 N -3.17 1.09 -3.66 2.06 9.36 -1.25 -1.60 117.16 119.99 1aee n TYR 36 Ca 0.03 0.73 -0.29 0.00 3.32 0.00 0.00 57.90 61.68 1aee n TYR 36 Cb 0.65 -2.23 0.04 0.00 -0.63 0.00 0.00 39.34 37.17 1aee n TYR 36 CO 0.00 0.00 0.00 -3.47 0.22 0.00 0.00 176.86 173.61 1aee n ASP 37 N 1.75 -4.99 -3.92 2.98 -0.08 -1.26 -1.19 116.55 109.85 1aee n ASP 37 Ca 0.14 -0.98 -0.30 0.00 -1.51 0.00 0.00 54.79 52.14 1aee n ASP 37 Cb 0.26 -3.56 -0.00 0.00 2.34 0.00 0.00 41.12 40.16 1aee n ASP 37 CO 0.00 0.00 0.00 0.59 0.12 0.00 0.00 177.20 177.91 1aee n ASN 38 N -2.76 -1.94 -0.81 1.67 4.13 -1.20 -2.13 115.26 112.22 1aee n ASN 38 Ca -0.11 -1.06 -0.11 0.00 1.68 0.00 0.00 54.58 54.98 1aee n ASN 38 Cb 0.60 -2.91 -0.05 0.00 -1.54 0.00 0.00 39.78 35.89 1aee n ASN 38 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 1aee n TYR 39 N -4.42 0.00 0.05 3.10 4.01 -0.63 -4.89 117.16 114.38 1aee n TYR 39 Ca -0.23 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.40 1aee n TYR 39 Cb 0.65 -2.24 0.02 0.00 -0.31 0.00 0.00 39.34 37.45 1aee n TYR 39 CO 0.00 0.00 0.00 0.82 -0.46 0.00 0.00 176.86 177.22 1aee h ILE 40 N 0.00 1.38 0.00 -0.72 2.04 -0.98 -3.47 117.51 115.75 1aee h ILE 40 Ca -0.22 -2.15 0.00 0.00 1.00 0.00 0.00 64.86 63.49 1aee h ILE 40 Cb 0.87 2.12 0.00 0.00 -0.74 0.00 0.00 36.82 39.08 1aee h ILE 40 CO 0.32 0.65 0.00 0.61 0.00 0.00 0.00 178.15 179.73 1aee n GLY 41 N 0.58 -0.99 0.00 5.37 0.00 -0.33 -4.67 105.19 105.15 1aee n GLY 41 Ca -0.05 -1.65 0.13 0.00 0.00 0.00 0.00 46.02 44.45 1aee n GLY 41 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1aee n TYR 42 N -1.07 0.00 -0.04 1.61 4.01 -1.26 -4.39 117.16 116.03 1aee n TYR 42 Ca 0.00 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.64 1aee n TYR 42 Cb 0.00 -0.40 -0.03 0.00 -0.31 0.00 0.00 39.34 38.59 1aee n TYR 42 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1aee h GLY 43 N 4.62 -0.36 0.77 2.72 0.00 -1.93 -2.48 103.07 106.41 1aee h GLY 43 Ca 0.00 0.39 0.01 0.00 0.00 0.00 0.00 47.33 47.73 1aee h GLY 43 CO 0.00 -0.21 -0.12 -2.55 0.00 0.00 0.00 176.54 173.66 1aee h PRO 44 N -0.34 -0.22 0.00 4.80 0.11 -1.90 -1.88 132.00 132.57 1aee h PRO 44 Ca 0.12 0.02 -0.02 0.00 0.11 0.00 0.00 66.00 66.23 1aee h PRO 44 Cb 0.53 0.05 -0.00 0.00 0.11 0.00 0.00 31.00 31.69 1aee h PRO 44 CO -0.40 -0.15 -0.09 -0.24 -0.21 0.00 0.00 178.00 176.90 1aee h VAL 45 N -0.23 0.73 -0.02 3.15 3.04 -1.83 -0.82 116.25 120.28 1aee h VAL 45 Ca 0.02 -0.36 -0.20 0.00 -1.01 0.00 0.00 66.70 65.15 1aee h VAL 45 Cb 0.26 1.22 -0.00 0.00 -2.01 0.00 0.00 31.29 30.75 1aee h VAL 45 CO -0.08 0.09 -0.86 -0.07 -1.01 0.00 0.00 177.57 175.64 1aee h LEU 46 N 0.00 0.41 -0.47 3.16 3.38 -0.93 -0.03 115.31 120.83 1aee h LEU 46 Ca -0.00 -0.31 -0.13 0.00 0.09 0.00 0.00 57.88 57.53 1aee h LEU 46 Cb 0.21 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 1aee h LEU 46 CO 0.01 1.09 -0.61 -0.37 0.09 0.00 0.00 178.44 178.65 1aee h VAL 47 N 0.19 1.22 -0.72 1.22 -1.51 -0.55 -2.41 116.25 113.69 1aee h VAL 47 Ca -0.05 -2.28 -0.03 0.00 -1.23 0.00 0.00 66.70 63.11 1aee h VAL 47 Cb 1.48 2.31 -0.03 0.00 -2.13 0.00 0.00 31.29 32.91 1aee h VAL 47 CO 0.14 0.60 0.32 -0.09 -1.23 0.00 0.00 177.57 177.32 1aee h ARG 48 N 0.00 1.05 -0.44 5.19 2.43 -0.99 -1.70 114.38 119.92 1aee h ARG 48 Ca -0.01 -0.17 -0.01 0.00 -0.81 0.00 0.00 59.98 58.99 1aee h ARG 48 Cb 1.26 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 30.61 1aee h ARG 48 CO 0.08 0.84 0.25 1.25 -1.51 0.00 0.00 179.97 180.88 1aee h LEU 49 N 1.01 0.54 -1.05 3.80 5.85 -0.92 0.03 115.31 124.58 1aee h LEU 49 Ca 0.24 -0.08 -0.03 0.00 0.84 0.00 0.00 57.88 58.86 1aee h LEU 49 Cb 0.15 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.01 1aee h LEU 49 CO -0.03 0.46 0.31 0.00 -0.34 0.00 0.00 178.44 178.85 1aee h ALA 50 N 1.10 1.25 -0.18 1.25 0.00 -1.08 -1.26 119.26 120.35 1aee h ALA 50 Ca 0.16 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1aee h ALA 50 Cb 0.04 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 1aee h ALA 50 CO -0.03 0.56 -0.06 2.35 0.00 0.00 0.00 179.25 182.08 1aee h TRP 51 N 0.98 0.41 -0.05 0.00 2.91 -1.02 -2.88 115.95 116.30 1aee h TRP 51 Ca 0.24 -0.09 -0.07 0.00 1.13 0.00 0.00 58.89 60.09 1aee h TRP 51 Cb 0.13 -0.10 -0.01 0.00 -0.51 0.00 0.00 29.16 28.67 1aee h TRP 51 CO 0.01 0.64 -0.29 0.45 -1.03 0.00 0.00 178.44 178.21 1aee h HIS 52 N 0.07 0.10 0.00 2.65 3.86 -0.66 0.39 115.15 121.56 1aee h HIS 52 Ca 0.04 -0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.22 1aee h HIS 52 Cb 0.51 -0.03 -0.00 0.00 1.06 0.00 0.00 27.41 28.95 1aee h HIS 52 CO 0.06 0.38 -0.08 -0.84 0.86 0.00 0.00 177.93 178.30 1aee h ILE 53 N 0.08 0.16 0.04 2.45 3.07 -1.28 -3.24 117.51 118.78 1aee h ILE 53 Ca 0.01 -1.02 -0.31 0.00 1.55 0.00 0.00 64.86 65.08 1aee h ILE 53 Cb 0.57 1.90 -0.04 0.00 -0.27 0.00 0.00 36.82 38.97 1aee h ILE 53 CO 0.04 0.08 -1.79 -1.20 -1.05 0.00 0.00 178.15 174.23 1aee n SER 54 N -3.14 1.25 0.01 2.16 7.64 -0.86 -3.06 113.62 117.62 1aee n SER 54 Ca 0.02 0.36 0.03 0.00 1.01 0.00 0.00 58.87 60.30 1aee n SER 54 Cb 0.48 -0.31 0.15 0.00 -1.01 0.00 0.00 64.21 63.53 1aee n SER 54 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1aee n GLY 55 N 1.68 -0.73 0.01 0.23 0.00 0.13 -1.87 105.19 104.64 1aee n GLY 55 Ca -0.21 -0.01 0.14 0.00 0.00 0.00 0.00 46.02 45.94 1aee n GLY 55 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1aee n THR 56 N -1.55 0.00 -1.82 2.61 -2.24 -1.25 -4.64 114.28 105.38 1aee n THR 56 Ca 0.01 -0.00 -0.38 0.00 -2.27 0.00 0.00 64.05 61.41 1aee n THR 56 Cb 0.07 -0.45 0.04 0.00 -2.10 0.00 0.00 70.33 67.89 1aee n THR 56 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 1aee s TRP 57 N -2.77 2.34 -0.18 4.78 -0.00 -0.78 -4.13 118.94 118.20 1aee s TRP 57 Ca 0.22 1.38 0.00 0.00 -0.00 0.00 0.00 56.10 57.70 1aee s TRP 57 Cb 0.20 -3.77 0.04 0.00 -0.00 0.00 0.00 33.47 29.93 1aee s TRP 57 CO 0.50 -2.79 -0.08 0.34 -0.00 0.00 0.00 176.95 174.93 1aee s ASP 58 N -0.96 3.06 0.65 5.86 -1.08 -0.46 -4.56 116.67 119.17 1aee s ASP 58 Ca 0.70 -0.75 0.38 0.00 -0.52 0.00 0.00 52.55 52.37 1aee s ASP 58 Cb -0.40 -1.06 2.13 0.00 -1.46 0.00 0.00 42.92 42.14 1aee s ASP 58 CO 0.47 -0.16 2.26 0.07 0.52 0.00 0.00 175.17 178.33 1aee h LYS 59 N 8.06 0.00 -0.07 4.34 2.10 -1.64 -0.97 116.57 128.38 1aee h LYS 59 Ca -0.26 0.00 -0.23 0.00 -2.00 0.00 0.00 60.65 58.16 1aee h LYS 59 Cb 1.11 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 32.45 1aee h LYS 59 CO 0.44 0.00 -0.87 0.45 -2.00 0.00 0.00 179.45 177.47 1aee h HIS 60 N 0.00 0.89 0.00 0.07 3.86 -1.95 -3.36 115.15 114.65 1aee h HIS 60 Ca 0.01 -0.43 0.00 0.00 -1.16 0.00 0.00 60.37 58.79 1aee h HIS 60 Cb 0.14 -0.12 0.00 0.00 1.06 0.00 0.00 27.41 28.49 1aee h HIS 60 CO 0.00 1.25 -0.04 -0.40 0.86 0.00 0.00 177.93 179.60 1aee n ASP 61 N -3.86 1.36 -2.32 2.45 5.68 -1.13 -5.01 116.55 113.72 1aee n ASP 61 Ca -0.08 -1.91 -0.14 0.00 -0.50 0.00 0.00 54.79 52.16 1aee n ASP 61 Cb 0.79 -0.09 -0.01 0.00 -1.14 0.00 0.00 41.12 40.67 1aee n ASP 61 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 1aee n ASN 62 N -0.48 -4.23 -4.91 -1.12 5.15 -0.38 -4.17 115.26 105.12 1aee n ASN 62 Ca 0.03 0.18 -0.27 0.00 -0.60 0.00 0.00 54.58 53.91 1aee n ASN 62 Cb 0.42 -3.61 -0.00 0.00 -0.53 0.00 0.00 39.78 36.06 1aee n ASN 62 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 1aee s THR 63 N -2.64 4.93 0.00 -0.44 -4.23 -1.25 -4.89 115.64 107.13 1aee s THR 63 Ca 0.00 0.13 0.00 0.00 -1.18 0.00 0.00 61.69 60.64 1aee s THR 63 Cb 0.00 -3.86 0.00 0.00 1.34 0.00 0.00 72.50 69.98 1aee s THR 63 CO 0.00 -0.80 0.00 0.61 -0.54 0.00 0.00 174.62 173.89 1aee n GLY 64 N -2.16 -0.37 0.00 3.99 0.00 -1.26 -1.36 105.19 104.04 1aee n GLY 64 Ca -0.00 -1.08 0.00 0.00 0.00 0.00 0.00 46.02 44.94 1aee n GLY 64 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1aee n GLY 65 N 0.00 -0.72 0.23 -0.02 0.00 -1.26 -4.66 105.19 98.76 1aee n GLY 65 Ca 0.00 -1.71 0.13 0.00 0.00 0.00 0.00 46.02 44.44 1aee n GLY 65 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1aee h SER 66 N 0.00 0.00 -0.66 1.61 4.64 -1.77 -3.38 113.55 113.99 1aee h SER 66 Ca 0.00 0.00 0.12 0.00 -0.47 0.00 0.00 61.79 61.44 1aee h SER 66 Cb 0.00 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 61.97 1aee h SER 66 CO 0.00 0.07 -0.33 0.22 -0.87 0.00 0.00 176.83 175.92 1aee h TYR 67 N 0.00 -0.91 0.00 4.77 3.20 -1.86 -2.92 116.97 119.25 1aee h TYR 67 Ca -0.00 0.08 0.00 0.00 3.14 0.00 0.00 58.73 61.95 1aee h TYR 67 Cb 0.85 0.50 0.00 0.00 1.54 0.00 0.00 36.73 39.62 1aee h TYR 67 CO 0.00 -0.38 -0.02 0.41 -1.64 0.00 0.00 178.16 176.53 1aee n GLY 68 N -1.44 -1.56 2.92 1.82 0.00 -1.25 -2.60 105.19 103.07 1aee n GLY 68 Ca 0.05 -0.08 -0.21 0.00 0.00 0.00 0.00 46.02 45.78 1aee n GLY 68 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1aee n GLY 69 N 1.44 -0.51 0.00 -0.02 0.00 -1.10 -2.20 105.19 102.80 1aee n GLY 69 Ca 0.06 0.09 0.12 0.00 0.00 0.00 0.00 46.02 46.29 1aee n GLY 69 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1aee n THR 70 N -4.22 0.17 0.29 2.61 -2.24 -1.26 -2.69 114.28 106.94 1aee n THR 70 Ca -0.12 0.04 0.17 0.00 -2.27 0.00 0.00 64.05 61.87 1aee n THR 70 Cb 0.62 -0.66 0.90 0.00 -2.10 0.00 0.00 70.33 69.09 1aee n THR 70 CO 0.00 0.00 0.00 0.22 -0.57 0.00 0.00 175.07 174.72 1aee h TYR 71 N 0.00 0.00 0.00 4.78 3.20 -1.94 -1.68 116.97 121.33 1aee h TYR 71 Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1aee h TYR 71 Cb 0.13 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.40 1aee h TYR 71 CO 0.00 0.05 0.00 0.07 -1.64 0.00 0.00 178.16 176.64 1aee h ARG 72 N 0.00 0.00 -6.48 1.82 0.11 -1.91 -3.26 114.38 104.66 1aee h ARG 72 Ca -0.00 0.00 -0.53 0.00 0.10 0.00 0.00 59.98 59.55 1aee h ARG 72 Cb 0.19 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.24 1aee h ARG 72 CO 0.01 0.00 0.08 -0.06 0.10 0.00 0.00 179.97 180.09 1aee s PHE 73 N -3.67 3.71 0.26 4.08 0.08 -0.63 -4.92 117.98 116.90 1aee s PHE 73 Ca -0.00 1.38 -0.07 0.00 0.12 0.00 0.00 56.93 58.36 1aee s PHE 73 Cb 0.09 -2.60 0.46 0.00 -0.57 0.00 0.00 43.02 40.41 1aee s PHE 73 CO 0.40 0.42 1.59 0.87 -0.10 0.00 0.00 175.22 178.40 1aee h LYS 74 N 3.76 0.02 -0.12 0.44 6.56 -1.87 -1.04 116.57 124.33 1aee h LYS 74 Ca -0.48 -0.00 0.03 0.00 -1.06 0.00 0.00 60.65 59.14 1aee h LYS 74 Cb 1.20 -0.01 -0.03 0.00 -0.57 0.00 0.00 32.23 32.82 1aee h LYS 74 CO 0.65 0.02 -0.06 -0.22 -2.06 0.00 0.00 179.45 177.78 1aee h LYS 75 N 0.03 -0.05 -0.13 3.15 3.64 -1.94 0.69 116.57 121.95 1aee h LYS 75 Ca 0.45 0.00 -0.15 0.00 -1.27 0.00 0.00 60.65 59.68 1aee h LYS 75 Cb 0.77 0.01 0.01 0.00 -0.41 0.00 0.00 32.23 32.61 1aee h LYS 75 CO -0.84 -0.03 -0.52 1.49 -2.27 0.00 0.00 179.45 177.27 1aee h GLU 76 N -0.05 0.58 -0.38 1.90 4.81 -1.64 -2.82 114.58 116.98 1aee h GLU 76 Ca 0.07 -0.45 0.05 0.00 -0.13 0.00 0.00 59.36 58.90 1aee h GLU 76 Cb 0.16 0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.60 1aee h GLU 76 CO -0.16 1.08 0.26 0.35 -0.73 0.00 0.00 179.01 179.81 1aee h PHE 77 N 0.22 0.29 -0.62 0.92 3.57 -1.09 -2.18 116.94 118.03 1aee h PHE 77 Ca -0.03 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.48 1aee h PHE 77 Cb 1.15 -0.09 0.00 0.00 2.79 0.00 0.00 35.95 39.80 1aee h PHE 77 CO 0.10 0.16 0.00 0.09 -2.23 0.00 0.00 178.31 176.43 1aee n ASN 78 N -4.48 3.39 -4.70 0.41 5.03 0.22 -4.85 115.26 110.28 1aee n ASN 78 Ca 0.05 -2.02 -0.43 0.00 0.87 0.00 0.00 54.58 53.05 1aee n ASN 78 Cb 0.24 -0.43 -0.03 0.00 -1.02 0.00 0.00 39.78 38.54 1aee n ASN 78 CO 0.00 0.00 0.00 -0.67 -1.83 0.00 0.00 177.26 174.76 1aee n ASP 79 N 1.31 3.91 -0.24 6.41 -0.08 -0.82 -4.87 116.55 122.17 1aee n ASP 79 Ca 0.21 1.04 0.17 0.00 -1.51 0.00 0.00 54.79 54.70 1aee n ASP 79 Cb 0.54 -1.55 0.48 0.00 2.34 0.00 0.00 41.12 42.93 1aee n ASP 79 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1aee h PRO 80 N 7.21 0.46 0.00 -0.67 0.11 -1.92 0.43 132.00 137.62 1aee h PRO 80 Ca -0.44 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.64 1aee h PRO 80 Cb 1.21 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.22 1aee h PRO 80 CO 0.95 0.30 -0.01 0.77 -0.21 0.00 0.00 178.00 179.80 1aee h SER 81 N 0.47 0.00 -0.61 -2.05 0.02 -1.94 -2.36 113.55 107.09 1aee h SER 81 Ca 0.45 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.40 1aee h SER 81 Cb 1.01 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.55 1aee h SER 81 CO -0.18 0.01 0.00 0.59 -1.14 0.00 0.00 176.83 176.11 1aee n ASN 82 N -3.14 3.71 -4.68 3.07 3.02 0.14 -4.99 115.26 112.38 1aee n ASN 82 Ca -0.02 -2.16 -0.45 0.00 -0.03 0.00 0.00 54.58 51.93 1aee n ASN 82 Cb 0.15 -0.47 -0.04 0.00 -0.61 0.00 0.00 39.78 38.81 1aee n ASN 82 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1aee n ALA 83 N 1.19 1.56 0.00 5.41 0.00 -0.89 -1.56 120.51 126.23 1aee n ALA 83 Ca 0.22 0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.98 1aee n ALA 83 Cb 0.64 -2.51 0.00 0.00 0.00 0.00 0.00 19.45 17.57 1aee n ALA 83 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1aee n GLY 84 N 4.11 3.37 0.14 0.00 0.00 -1.26 -4.85 105.19 106.70 1aee n GLY 84 Ca 0.19 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.34 1aee n GLY 84 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1aee n LEU 85 N 0.00 0.73 -0.16 0.99 4.77 -0.60 -2.49 117.00 120.25 1aee n LEU 85 Ca 0.00 0.67 0.18 0.00 -0.03 0.00 0.00 56.01 56.83 1aee n LEU 85 Cb 0.00 -0.55 0.56 0.00 -2.33 0.00 0.00 43.42 41.10 1aee n LEU 85 CO 0.00 -0.54 1.21 1.56 -1.33 0.00 0.00 177.39 178.30 1aee h GLN 86 N 0.00 0.29 -0.89 3.23 7.50 -1.91 0.16 115.11 123.49 1aee h GLN 86 Ca 0.00 -0.02 -0.02 0.00 0.50 0.00 0.00 58.65 59.11 1aee h GLN 86 Cb 0.42 -0.07 -0.04 0.00 0.05 0.00 0.00 27.48 27.84 1aee h GLN 86 CO 0.00 0.19 0.49 -0.91 -1.50 0.00 0.00 178.83 177.10 1aee h ASN 87 N 0.30 1.11 -0.24 1.46 2.35 -1.89 -0.84 115.58 117.83 1aee h ASN 87 Ca 0.38 -0.10 -0.04 0.00 -0.55 0.00 0.00 56.30 55.99 1aee h ASN 87 Cb 1.04 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 39.12 1aee h ASN 87 CO -0.10 0.89 -0.01 1.23 -1.65 0.00 0.00 177.43 177.79 1aee h GLY 88 N 1.25 0.47 0.63 2.83 0.00 -0.92 -2.31 103.07 105.02 1aee h GLY 88 Ca 0.31 -0.35 0.05 0.00 0.00 0.00 0.00 47.33 47.34 1aee h GLY 88 CO -0.05 0.32 0.12 -2.75 0.00 0.00 0.00 176.54 174.18 1aee h PHE 89 N 0.20 0.21 -0.27 5.60 3.57 -1.08 -1.47 116.94 123.71 1aee h PHE 89 Ca 0.07 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.55 1aee h PHE 89 Cb 0.43 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 39.12 1aee h PHE 89 CO 0.04 0.07 -0.01 0.87 -2.23 0.00 0.00 178.31 177.05 1aee h LYS 90 N 0.27 0.42 -0.36 1.11 1.57 -1.16 -1.12 116.57 117.29 1aee h LYS 90 Ca 0.18 -0.08 -0.02 0.00 -1.87 0.00 0.00 60.65 58.86 1aee h LYS 90 Cb 0.17 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.40 1aee h LYS 90 CO -0.20 0.46 0.16 0.35 -0.57 0.00 0.00 179.45 179.65 1aee h PHE 91 N 0.40 0.54 0.00 -1.35 3.04 -0.76 -3.16 116.94 115.65 1aee h PHE 91 Ca 0.09 -0.03 0.00 0.00 3.98 0.00 0.00 57.97 62.01 1aee h PHE 91 Cb 0.29 -0.16 0.00 0.00 2.56 0.00 0.00 35.95 38.64 1aee h PHE 91 CO 0.01 0.47 0.00 -0.07 -2.02 0.00 0.00 178.31 176.70 1aee h LEU 92 N 0.45 0.00 -0.18 0.59 3.38 -0.68 -3.37 115.31 115.51 1aee h LEU 92 Ca 0.12 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 1aee h LEU 92 Cb 0.15 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 1aee h LEU 92 CO -0.01 0.00 0.11 -0.08 0.09 0.00 0.00 178.44 178.54 1aee h GLU 93 N 0.00 0.24 -0.95 1.13 4.81 -1.18 -0.91 114.58 117.72 1aee h GLU 93 Ca 0.00 -0.02 0.17 0.00 -0.13 0.00 0.00 59.36 59.38 1aee h GLU 93 Cb 0.71 -0.05 -0.10 0.00 0.63 0.00 0.00 28.75 29.94 1aee h GLU 93 CO 0.00 0.20 0.54 -1.00 -0.73 0.00 0.00 179.01 178.02 1aee h PRO 94 N 0.21 0.69 -0.19 0.92 0.13 -1.74 -1.99 132.00 130.03 1aee h PRO 94 Ca 0.06 -0.04 -0.11 0.00 -0.87 0.00 0.00 66.00 65.04 1aee h PRO 94 Cb 0.02 -0.16 -0.01 0.00 0.13 0.00 0.00 31.00 30.98 1aee h PRO 94 CO -0.01 0.46 -0.35 0.82 -0.23 0.00 0.00 178.00 178.69 1aee h ILE 95 N 0.71 1.29 -0.38 -3.56 2.04 -1.48 -1.80 117.51 114.34 1aee h ILE 95 Ca 0.53 -1.43 -0.12 0.00 1.00 0.00 0.00 64.86 64.84 1aee h ILE 95 Cb 0.80 1.53 -0.01 0.00 -0.74 0.00 0.00 36.82 38.40 1aee h ILE 95 CO -0.38 0.44 -0.26 -0.74 0.00 0.00 0.00 178.15 177.22 1aee h HIS 96 N 0.34 0.89 -0.73 1.37 2.76 -0.58 0.39 115.15 119.59 1aee h HIS 96 Ca 0.04 -0.22 0.02 0.00 -2.20 0.00 0.00 60.37 58.01 1aee h HIS 96 Cb 0.78 -0.21 -0.04 0.00 1.55 0.00 0.00 27.41 29.49 1aee h HIS 96 CO 0.02 0.95 0.47 0.87 -1.30 0.00 0.00 177.93 178.95 1aee h LYS 97 N 0.67 0.92 -0.14 5.26 1.79 -1.06 -2.30 116.57 121.73 1aee h LYS 97 Ca 0.09 -0.06 -0.12 0.00 -2.18 0.00 0.00 60.65 58.38 1aee h LYS 97 Cb 0.78 -0.21 -0.01 0.00 -1.58 0.00 0.00 32.23 31.21 1aee h LYS 97 CO 0.06 0.61 -0.43 1.49 -1.08 0.00 0.00 179.45 180.11 1aee h GLU 98 N 0.95 0.31 -2.36 3.15 4.81 -0.83 -3.35 114.58 117.27 1aee h GLU 98 Ca 0.28 -0.16 -0.60 0.00 -0.13 0.00 0.00 59.36 58.75 1aee h GLU 98 Cb -0.06 0.00 -0.41 0.00 0.63 0.00 0.00 28.75 28.91 1aee h GLU 98 CO -0.08 0.69 -0.69 1.19 -0.73 0.00 0.00 179.01 179.39 1aee n PHE 99 N -4.01 2.73 0.30 0.92 3.72 0.08 -4.95 117.46 116.25 1aee n PHE 99 Ca -0.02 -4.06 0.15 0.00 -0.05 0.00 0.00 57.45 53.48 1aee n PHE 99 Cb 0.50 -0.50 0.71 0.00 -0.94 0.00 0.00 39.48 39.25 1aee n PHE 99 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1aee h PRO 100 N 4.47 0.00 0.00 -1.08 0.13 -1.56 -2.49 132.00 131.47 1aee h PRO 100 Ca 0.17 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.26 1aee h PRO 100 Cb 0.73 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.85 1aee h PRO 100 CO 0.73 0.00 -0.21 0.11 -0.23 0.00 0.00 178.00 178.40 1aee h TRP 101 N 0.00 0.00 -3.56 1.56 5.08 -1.92 -3.45 115.95 113.66 1aee h TRP 101 Ca 0.00 0.00 -0.52 0.00 1.08 0.00 0.00 58.89 59.45 1aee h TRP 101 Cb 0.23 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.39 1aee h TRP 101 CO 0.00 0.21 0.47 -1.50 -1.28 0.00 0.00 178.44 176.34 1aee s ILE 102 N -3.56 3.89 0.79 0.12 2.07 -0.94 -4.92 121.20 118.66 1aee s ILE 102 Ca 0.01 1.63 -0.11 0.00 -1.41 0.00 0.00 60.65 60.77 1aee s ILE 102 Cb 0.09 -4.04 0.07 0.00 0.13 0.00 0.00 42.46 38.72 1aee s ILE 102 CO 0.64 0.28 1.12 -0.94 -1.91 0.00 0.00 174.94 174.12 1aee s SER 103 N -0.08 4.16 0.11 4.50 1.04 -1.26 -4.86 113.70 117.31 1aee s SER 103 Ca 0.49 1.98 -0.18 0.00 0.48 0.00 0.00 55.95 58.73 1aee s SER 103 Cb -0.29 -2.54 -0.05 0.00 0.10 0.00 0.00 66.02 63.24 1aee s SER 103 CO 0.35 -2.27 1.66 0.28 0.98 0.00 0.00 173.24 174.24 1aee h SER 104 N -1.09 0.39 -0.96 7.02 0.02 -1.92 -1.69 113.55 115.33 1aee h SER 104 Ca -0.44 -0.16 0.05 0.00 -0.84 0.00 0.00 61.79 60.40 1aee h SER 104 Cb 1.25 -0.10 -0.06 0.00 0.14 0.00 0.00 62.40 63.63 1aee h SER 104 CO 0.49 0.44 0.62 1.23 -1.14 0.00 0.00 176.83 178.46 1aee h GLY 105 N 0.31 1.42 0.93 -3.77 0.00 -1.80 -0.44 103.07 99.73 1aee h GLY 105 Ca 0.10 -0.46 -0.06 0.00 0.00 0.00 0.00 47.33 46.90 1aee h GLY 105 CO -0.01 0.36 -0.00 -0.55 0.00 0.00 0.00 176.54 176.34 1aee h ASP 106 N 1.16 0.66 -0.43 0.19 5.19 -1.81 -1.27 116.42 120.11 1aee h ASP 106 Ca 0.40 -0.31 -0.07 0.00 -0.62 0.00 0.00 57.03 56.43 1aee h ASP 106 Cb 0.09 -0.18 -0.02 0.00 0.18 0.00 0.00 39.33 39.40 1aee h ASP 106 CO -0.15 0.80 -0.00 0.25 -3.12 0.00 0.00 179.24 177.02 1aee h LEU 107 N 0.49 0.74 -0.45 1.55 5.85 -0.89 -0.22 115.31 122.39 1aee h LEU 107 Ca 0.11 -0.31 -0.04 0.00 0.84 0.00 0.00 57.88 58.48 1aee h LEU 107 Cb 0.47 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.28 1aee h LEU 107 CO 0.02 0.87 0.12 -0.26 -0.34 0.00 0.00 178.44 178.85 1aee h PHE 108 N 0.59 0.74 -0.17 1.25 0.04 -1.08 -0.49 116.94 117.83 1aee h PHE 108 Ca 0.12 -0.08 -0.16 0.00 2.80 0.00 0.00 57.97 60.65 1aee h PHE 108 Cb 0.49 -0.21 -0.01 0.00 2.20 0.00 0.00 35.95 38.42 1aee h PHE 108 CO 0.04 0.68 -0.54 0.66 -0.60 0.00 0.00 178.31 178.54 1aee h SER 109 N 0.59 0.55 -0.12 2.17 4.64 -1.22 -3.03 113.55 117.14 1aee h SER 109 Ca 0.14 -0.29 -0.06 0.00 -0.47 0.00 0.00 61.79 61.10 1aee h SER 109 Cb 0.30 -0.16 -0.02 0.00 -0.31 0.00 0.00 62.40 62.21 1aee h SER 109 CO -0.00 0.99 -0.11 0.25 -0.87 0.00 0.00 176.83 177.09 1aee h LEU 110 N 0.39 0.43 -0.88 5.97 5.85 -0.92 -2.37 115.31 123.78 1aee h LEU 110 Ca 0.01 -0.10 0.09 0.00 0.84 0.00 0.00 57.88 58.71 1aee h LEU 110 Cb 1.08 -0.11 -0.07 0.00 0.37 0.00 0.00 40.66 41.92 1aee h LEU 110 CO 0.10 0.58 0.53 1.23 -0.34 0.00 0.00 178.44 180.54 1aee h GLY 111 N 0.89 1.37 0.88 3.75 0.00 -0.97 -0.73 103.07 108.26 1aee h GLY 111 Ca 0.08 -0.36 -0.04 0.00 0.00 0.00 0.00 47.33 47.01 1aee h GLY 111 CO 0.03 0.18 0.02 -1.33 0.00 0.00 0.00 176.54 175.43 1aee h GLY 112 N 0.89 0.54 0.95 4.60 0.00 -1.38 -2.03 103.07 106.65 1aee h GLY 112 Ca 0.41 -0.38 0.01 0.00 0.00 0.00 0.00 47.33 47.37 1aee h GLY 112 CO -0.23 0.35 0.01 -2.08 0.00 0.00 0.00 176.54 174.60 1aee h VAL 113 N 0.30 0.98 -0.44 4.60 2.07 -1.19 -2.46 116.25 120.11 1aee h VAL 113 Ca 0.09 -0.01 0.02 0.00 0.82 0.00 0.00 66.70 67.61 1aee h VAL 113 Cb 0.39 0.94 -0.03 0.00 -1.52 0.00 0.00 31.29 31.08 1aee h VAL 113 CO 0.01 0.01 0.27 0.74 0.02 0.00 0.00 177.57 178.62 1aee h THR 114 N 0.04 1.06 -0.11 2.57 2.02 -1.13 -2.12 112.91 115.23 1aee h THR 114 Ca 0.02 -0.19 0.00 0.00 0.77 0.00 0.00 66.41 67.02 1aee h THR 114 Cb 0.01 0.47 -0.01 0.00 -1.74 0.00 0.00 68.15 66.89 1aee h THR 114 CO -0.03 0.10 0.07 0.00 0.37 0.00 0.00 175.52 176.04 1aee h ALA 115 N 1.19 0.14 -0.32 6.16 0.00 -1.28 0.08 119.26 125.23 1aee h ALA 115 Ca 0.18 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.11 1aee h ALA 115 Cb -0.00 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 1aee h ALA 115 CO -0.07 -0.36 0.10 0.28 0.00 0.00 0.00 179.25 179.20 1aee h VAL 116 N 0.14 0.90 -0.54 0.00 2.07 -1.28 0.15 116.25 117.69 1aee h VAL 116 Ca 0.04 -0.08 -0.11 0.00 0.82 0.00 0.00 66.70 67.38 1aee h VAL 116 Cb 0.00 0.65 -0.02 0.00 -1.52 0.00 0.00 31.29 30.40 1aee h VAL 116 CO -0.01 0.04 -0.08 1.56 0.02 0.00 0.00 177.57 179.11 1aee h GLN 117 N 0.23 1.00 0.00 1.57 4.20 -1.30 0.11 115.11 120.92 1aee h GLN 117 Ca 0.14 -0.36 -0.06 0.00 0.06 0.00 0.00 58.65 58.43 1aee h GLN 117 Cb 0.13 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.83 1aee h GLN 117 CO -0.16 1.04 -0.29 0.93 -0.67 0.00 0.00 178.83 179.67 1aee h GLU 118 N 0.87 0.00 -0.96 1.46 4.39 -0.72 -2.22 114.58 117.40 1aee h GLU 118 Ca 0.14 0.00 -0.15 0.00 0.34 0.00 0.00 59.36 59.69 1aee h GLU 118 Cb 0.64 0.00 -0.09 0.00 -0.10 0.00 0.00 28.75 29.19 1aee h GLU 118 CO 0.04 0.29 0.19 -1.33 -1.16 0.00 0.00 179.01 177.05 1aee n MET 119 N -3.42 1.78 -3.02 2.33 2.81 0.52 -4.88 117.12 113.24 1aee n MET 119 Ca 0.00 -1.22 -0.20 0.00 -1.81 0.00 0.00 57.70 54.47 1aee n MET 119 Cb 0.48 -1.56 0.01 0.00 -0.71 0.00 0.00 33.22 31.44 1aee n MET 119 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1aee n GLN 120 N -0.05 -3.50 -0.24 0.03 0.00 -0.84 -0.58 117.38 112.20 1aee n GLN 120 Ca 0.21 0.66 -0.03 0.00 0.00 0.00 0.00 57.00 57.84 1aee n GLN 120 Cb 0.88 -5.38 0.02 0.00 0.00 0.00 0.00 30.24 25.75 1aee n GLN 120 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1aee n GLY 121 N -1.19 -0.93 3.78 2.61 0.00 0.38 -4.72 105.19 105.12 1aee n GLY 121 Ca -0.08 -1.71 -0.32 0.00 0.00 0.00 0.00 46.02 43.91 1aee n GLY 121 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1aee s PRO 122 N -3.18 2.69 0.28 1.61 0.04 -1.26 -4.66 135.00 130.52 1aee s PRO 122 Ca 0.07 1.24 -0.30 0.00 0.04 0.00 0.00 61.00 62.05 1aee s PRO 122 Cb -0.00 -1.95 -0.11 0.00 0.04 0.00 0.00 34.50 32.48 1aee s PRO 122 CO 0.05 -1.32 1.52 0.15 0.04 0.00 0.00 177.00 177.44 1aee s LYS 123 N -4.49 4.18 -0.31 4.56 -0.14 -1.26 -4.42 119.74 117.86 1aee s LYS 123 Ca 0.63 2.47 -0.04 0.00 -1.36 0.00 0.00 55.97 57.67 1aee s LYS 123 Cb -0.18 -3.05 0.04 0.00 -1.68 0.00 0.00 37.83 32.96 1aee s LYS 123 CO 0.48 -0.54 0.04 0.42 -0.76 0.00 0.00 175.35 174.99 1aee s ILE 124 N -0.09 3.35 0.20 2.17 -1.09 -1.26 -4.86 121.20 119.62 1aee s ILE 124 Ca 0.61 -1.20 -0.32 0.00 -2.23 0.00 0.00 60.65 57.50 1aee s ILE 124 Cb -0.45 -2.88 -0.14 0.00 -1.58 0.00 0.00 42.46 37.41 1aee s ILE 124 CO 0.47 -0.09 1.32 -2.65 -1.23 0.00 0.00 174.94 172.77 1aee n PRO 125 N 4.72 1.69 -4.27 2.79 -0.02 -1.26 -4.77 135.00 133.86 1aee n PRO 125 Ca -0.13 0.60 -0.18 0.00 -2.02 0.00 0.00 63.50 61.77 1aee n PRO 125 Cb 0.44 -2.21 -0.13 0.00 -0.02 0.00 0.00 33.50 31.59 1aee n PRO 125 CO 0.00 0.00 0.00 -0.46 1.98 0.00 0.00 175.50 177.02 1aee s TRP 126 N -0.03 0.92 -0.06 6.00 -0.00 -0.62 -4.82 118.94 120.34 1aee s TRP 126 Ca 0.71 -0.30 0.05 0.00 -0.00 0.00 0.00 56.10 56.56 1aee s TRP 126 Cb -0.74 -0.56 -0.02 0.00 -0.00 0.00 0.00 33.47 32.16 1aee s TRP 126 CO 0.50 -0.01 -0.22 1.03 -0.00 0.00 0.00 176.95 178.25 1aee s ARG 127 N -0.88 2.54 0.74 5.86 0.52 -1.26 -0.20 118.95 126.26 1aee s ARG 127 Ca -0.00 -0.85 -0.07 0.00 -0.52 0.00 0.00 55.73 54.29 1aee s ARG 127 Cb -0.07 -2.22 0.08 0.00 0.52 0.00 0.00 34.95 33.26 1aee s ARG 127 CO 0.01 0.44 1.05 0.00 0.02 0.00 0.00 175.30 176.82 1aee n GLY 129 N -3.01 0.98 3.76 0.00 0.00 -1.26 -4.72 105.19 100.93 1aee n GLY 129 Ca 0.10 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.73 1aee n GLY 129 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1aee s ARG 130 N -0.08 3.56 -0.08 1.61 0.52 -1.26 -0.67 118.95 122.55 1aee s ARG 130 Ca 0.00 2.06 0.03 0.00 -0.52 0.00 0.00 55.73 57.30 1aee s ARG 130 Cb 0.00 -2.43 0.01 0.00 0.52 0.00 0.00 34.95 33.04 1aee s ARG 130 CO 0.00 -0.80 -0.17 0.08 0.02 0.00 0.00 175.30 174.43 1aee s VAL 131 N -1.37 1.56 0.23 3.52 1.01 -1.07 -4.69 120.40 119.58 1aee s VAL 131 Ca 0.65 -0.72 -0.32 0.00 0.00 0.00 0.00 61.98 61.59 1aee s VAL 131 Cb -0.36 -1.38 -0.12 0.00 0.00 0.00 0.00 36.38 34.52 1aee s VAL 131 CO 0.44 0.45 1.70 0.47 0.00 0.00 0.00 175.10 178.16 1aee n ASP 132 N 3.71 3.99 -4.70 3.32 9.92 -1.26 -3.94 116.55 127.59 1aee n ASP 132 Ca -0.21 1.08 -0.24 0.00 -0.53 0.00 0.00 54.79 54.89 1aee n ASP 132 Cb 0.52 -1.58 -0.07 0.00 -0.64 0.00 0.00 41.12 39.35 1aee n ASP 132 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 1aee s THR 133 N 0.92 2.63 0.69 -3.53 -4.23 -0.93 -5.01 115.64 106.18 1aee s THR 133 Ca 0.73 -1.79 -0.14 0.00 -1.18 0.00 0.00 61.69 59.30 1aee s THR 133 Cb -0.50 -2.92 0.02 0.00 1.34 0.00 0.00 72.50 70.43 1aee s THR 133 CO 0.36 -0.12 1.12 -2.84 -0.54 0.00 0.00 174.62 172.59 1aee s PRO 134 N -3.82 2.60 0.51 3.99 0.02 -1.26 -4.91 135.00 132.14 1aee s PRO 134 Ca 0.38 1.39 0.31 0.00 0.02 0.00 0.00 61.00 63.09 1aee s PRO 134 Cb 0.01 -1.93 1.43 0.00 0.02 0.00 0.00 34.50 34.03 1aee s PRO 134 CO 0.21 -1.41 1.85 1.49 -0.33 0.00 0.00 177.00 178.82 1aee h GLU 135 N -0.25 0.07 0.00 5.54 4.81 -1.99 0.82 114.58 123.58 1aee h GLU 135 Ca -0.46 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.76 1aee h GLU 135 Cb 1.25 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.61 1aee h GLU 135 CO 0.53 0.05 0.00 -0.40 -0.73 0.00 0.00 179.01 178.46 1aee n ASP 136 N -4.30 0.00 -0.27 1.04 5.75 -1.26 -2.03 116.55 115.47 1aee n ASP 136 Ca 0.21 0.48 0.13 0.00 -0.01 0.00 0.00 54.79 55.60 1aee n ASP 136 Cb 1.02 -0.49 0.43 0.00 -1.03 0.00 0.00 41.12 41.05 1aee n ASP 136 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 1aee n THR 137 N -1.49 0.00 -1.67 2.12 -2.24 0.28 -4.92 114.28 106.36 1aee n THR 137 Ca 0.04 -0.14 -0.46 0.00 -2.27 0.00 0.00 64.05 61.22 1aee n THR 137 Cb 0.19 0.36 -0.04 0.00 -2.10 0.00 0.00 70.33 68.74 1aee n THR 137 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1aee n THR 138 N -0.53 0.63 -1.73 4.28 -1.04 -0.86 -4.72 114.28 110.30 1aee n THR 138 Ca 0.14 -0.13 -0.39 0.00 -2.04 0.00 0.00 64.05 61.62 1aee n THR 138 Cb 0.34 -2.04 0.03 0.00 -1.82 0.00 0.00 70.33 66.84 1aee n THR 138 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 1aee n PRO 139 N 7.08 1.82 -1.64 -2.82 -0.04 -1.26 -5.01 135.00 133.13 1aee n PRO 139 Ca 0.23 0.66 -0.34 0.00 -0.04 0.00 0.00 63.50 64.01 1aee n PRO 139 Cb 0.34 -2.52 0.06 0.00 -0.04 0.00 0.00 33.50 31.34 1aee n PRO 139 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1aee s ASP 140 N -0.75 4.74 0.74 3.54 1.01 -1.26 -4.66 116.67 120.03 1aee s ASP 140 Ca 0.67 2.16 -0.16 0.00 0.71 0.00 0.00 52.55 55.94 1aee s ASP 140 Cb -0.44 -2.57 -0.00 0.00 1.01 0.00 0.00 42.92 40.92 1aee s ASP 140 CO 0.53 -1.89 0.82 0.59 0.21 0.00 0.00 175.17 175.43 1aee n ASN 141 N -2.49 -0.15 0.00 0.27 3.02 -1.26 -4.27 115.26 110.38 1aee n ASN 141 Ca 0.12 0.62 0.00 0.00 -0.03 0.00 0.00 54.58 55.29 1aee n ASN 141 Cb 0.51 -1.34 0.00 0.00 -0.61 0.00 0.00 39.78 38.34 1aee n ASN 141 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1aee n GLY 142 N 1.25 0.99 0.11 7.41 0.00 -1.26 -4.97 105.19 108.72 1aee n GLY 142 Ca 0.12 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.24 1aee n GLY 142 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1aee n ARG 143 N -1.94 0.28 -3.35 1.61 1.74 -1.26 -4.94 116.66 108.79 1aee n ARG 143 Ca 0.00 -0.23 -0.30 0.00 -0.77 0.00 0.00 57.85 56.55 1aee n ARG 143 Cb 0.00 -1.50 -0.04 0.00 -1.02 0.00 0.00 32.46 29.91 1aee n ARG 143 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1aee s LEU 144 N -2.88 4.09 0.44 0.55 1.43 -1.26 -4.72 118.68 116.33 1aee s LEU 144 Ca 0.11 0.80 -0.22 0.00 -1.03 0.00 0.00 54.13 53.78 1aee s LEU 144 Cb 0.17 -3.59 -0.09 0.00 0.03 0.00 0.00 46.19 42.70 1aee s LEU 144 CO 0.79 -0.15 1.04 -2.16 0.23 0.00 0.00 176.35 176.10 1aee s PRO 145 N -3.29 4.01 0.46 1.29 0.04 -1.26 -5.06 135.00 131.19 1aee s PRO 145 Ca 0.45 1.44 -0.19 0.00 0.04 0.00 0.00 61.00 62.74 1aee s PRO 145 Cb -0.11 -2.34 -0.10 0.00 0.04 0.00 0.00 34.50 31.99 1aee s PRO 145 CO 0.27 -0.26 0.96 -0.51 0.04 0.00 0.00 177.00 177.49 1aee s ASP 146 N -1.76 6.81 0.04 6.66 1.01 -1.26 -5.01 116.67 123.17 1aee s ASP 146 Ca 0.62 1.63 0.24 0.00 0.71 0.00 0.00 52.55 55.74 1aee s ASP 146 Cb -0.19 -2.52 0.23 0.00 1.01 0.00 0.00 42.92 41.44 1aee s ASP 146 CO 0.24 -0.44 1.20 0.00 0.21 0.00 0.00 175.17 176.37 1aee n ALA 147 N -1.00 3.51 -0.62 5.23 0.00 -1.26 -4.40 120.51 121.96 1aee n ALA 147 Ca 0.07 -0.38 -0.18 0.00 0.00 0.00 0.00 53.44 52.95 1aee n ALA 147 Cb 0.54 -1.04 0.11 0.00 0.00 0.00 0.00 19.45 19.06 1aee n ALA 147 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1aee n ASP 148 N -1.78 4.24 -2.86 0.00 5.75 -1.26 -1.93 116.55 118.70 1aee n ASP 148 Ca 0.04 -3.14 -0.10 0.00 -0.01 0.00 0.00 54.79 51.57 1aee n ASP 148 Cb 0.39 -0.79 -0.02 0.00 -1.03 0.00 0.00 41.12 39.67 1aee n ASP 148 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1aee n LYS 149 N -0.51 1.60 -3.45 0.11 4.76 -1.26 -4.94 118.16 114.47 1aee n LYS 149 Ca 0.41 -1.19 -0.22 0.00 -2.87 0.00 0.00 58.31 54.44 1aee n LYS 149 Cb 1.15 0.32 -0.00 0.00 -1.84 0.00 0.00 35.03 34.65 1aee n LYS 149 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 1aee n ASP 150 N -1.11 2.48 -0.32 4.39 5.75 -1.26 -3.38 116.55 123.10 1aee n ASP 150 Ca -0.07 -2.57 0.06 0.00 -0.01 0.00 0.00 54.79 52.20 1aee n ASP 150 Cb 0.21 -0.02 0.21 0.00 -1.03 0.00 0.00 41.12 40.48 1aee n ASP 150 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1aee h ALA 151 N 0.71 1.33 -0.87 2.12 0.00 -1.91 -1.90 119.26 118.74 1aee h ALA 151 Ca -0.29 0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.68 1aee h ALA 151 Cb 1.05 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.67 1aee h ALA 151 CO 0.46 0.09 0.57 0.78 0.00 0.00 0.00 179.25 181.14 1aee h GLY 152 N 0.82 1.25 0.92 0.00 0.00 -1.96 -0.39 103.07 103.70 1aee h GLY 152 Ca 0.45 -0.44 -0.01 0.00 0.00 0.00 0.00 47.33 47.33 1aee h GLY 152 CO -0.29 0.41 -0.06 -1.82 0.00 0.00 0.00 176.54 174.78 1aee h TYR 153 N 1.14 -0.15 -0.48 5.60 3.20 -1.76 -1.57 116.97 122.96 1aee h TYR 153 Ca 0.33 -0.00 0.06 0.00 3.14 0.00 0.00 58.73 62.26 1aee h TYR 153 Cb -0.06 0.05 -0.05 0.00 1.54 0.00 0.00 36.73 38.20 1aee h TYR 153 CO -0.01 -0.02 0.20 0.28 -1.64 0.00 0.00 178.16 176.97 1aee h VAL 154 N -0.24 0.89 -0.19 1.81 2.07 -1.09 0.13 116.25 119.63 1aee h VAL 154 Ca -0.02 -0.13 -0.00 0.00 0.82 0.00 0.00 66.70 67.36 1aee h VAL 154 Cb 0.19 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 30.42 1aee h VAL 154 CO 0.03 0.07 0.10 -0.09 0.02 0.00 0.00 177.57 177.70 1aee h ARG 155 N 0.39 0.26 -0.18 1.57 2.43 -0.99 -1.59 114.38 116.28 1aee h ARG 155 Ca 0.22 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.33 1aee h ARG 155 Cb 0.19 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.69 1aee h ARG 155 CO -0.20 0.27 0.02 1.15 -1.51 0.00 0.00 179.97 179.70 1aee h THR 156 N 0.19 1.24 -0.37 0.20 2.02 -1.12 -2.59 112.91 112.47 1aee h THR 156 Ca 0.07 -0.78 0.06 0.00 0.77 0.00 0.00 66.41 66.52 1aee h THR 156 Cb 0.09 1.39 -0.05 0.00 -1.74 0.00 0.00 68.15 67.84 1aee h THR 156 CO -0.01 0.24 0.07 0.15 0.37 0.00 0.00 175.52 176.33 1aee h PHE 157 N 0.09 0.11 0.00 3.16 3.57 -0.62 -2.55 116.94 120.69 1aee h PHE 157 Ca 0.05 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.58 1aee h PHE 157 Cb 0.34 0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.09 1aee h PHE 157 CO 0.02 0.01 0.00 1.19 -2.23 0.00 0.00 178.31 177.30 1aee n PHE 158 N -5.10 0.58 0.23 0.41 3.72 -0.61 -1.93 117.46 114.76 1aee n PHE 158 Ca 0.02 0.21 0.07 0.00 -0.05 0.00 0.00 57.45 57.70 1aee n PHE 158 Cb 0.17 -0.84 0.56 0.00 -0.94 0.00 0.00 39.48 38.43 1aee n PHE 158 CO 0.00 0.00 0.00 1.96 -0.05 0.00 0.00 176.76 178.67 1aee h GLN 159 N 0.00 0.00 0.00 -1.08 4.20 -1.06 -1.65 115.11 115.52 1aee h GLN 159 Ca 0.00 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.67 1aee h GLN 159 Cb 0.42 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.20 1aee h GLN 159 CO 0.00 0.17 -0.19 -0.09 -0.67 0.00 0.00 178.83 178.05 1aee h ARG 160 N 0.00 0.00 -0.54 1.46 2.43 -1.48 -2.19 114.38 114.05 1aee h ARG 160 Ca -0.00 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.14 1aee h ARG 160 Cb 0.33 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.86 1aee h ARG 160 CO 0.02 0.19 0.03 1.28 -1.51 0.00 0.00 179.97 179.99 1aee n LEU 161 N -3.95 5.49 -0.59 3.80 4.77 -0.87 -1.65 117.00 124.00 1aee n LEU 161 Ca -0.02 -3.00 0.00 0.00 -0.03 0.00 0.00 56.01 52.96 1aee n LEU 161 Cb 0.28 -0.67 0.00 0.00 -2.33 0.00 0.00 43.42 40.70 1aee n LEU 161 CO 0.34 0.66 0.00 -0.46 -1.33 0.00 0.00 177.39 176.60 1aee n ASN 162 N 0.33 0.00 -4.65 -1.43 6.94 -0.82 -5.00 115.26 110.63 1aee n ASN 162 Ca 0.28 0.00 -0.35 0.00 -0.02 0.00 0.00 54.58 54.50 1aee n ASN 162 Cb 1.18 0.00 -0.10 0.00 -2.36 0.00 0.00 39.78 38.50 1aee n ASN 162 CO 0.00 0.00 0.00 -0.04 -1.03 0.00 0.00 177.26 176.19 1aee s MET 163 N -0.43 3.81 0.61 -3.83 -1.94 -0.68 -5.02 119.30 111.83 1aee s MET 163 Ca 0.00 -0.35 -0.03 0.00 -1.71 0.00 0.00 55.69 53.60 1aee s MET 163 Cb 0.00 -3.14 0.13 0.00 2.01 0.00 0.00 34.83 33.83 1aee s MET 163 CO 0.00 0.35 0.83 0.27 -0.01 0.00 0.00 175.02 176.47 1aee n ASN 164 N 3.27 0.87 -0.33 3.03 0.23 -1.26 -4.12 115.26 116.95 1aee n ASN 164 Ca -0.17 -1.79 -0.04 0.00 -0.53 0.00 0.00 54.58 52.05 1aee n ASN 164 Cb 0.53 -0.56 0.09 0.00 -2.08 0.00 0.00 39.78 37.75 1aee n ASN 164 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 1aee h ASP 165 N -0.64 1.05 -0.32 0.53 3.32 -1.99 -1.29 116.42 117.08 1aee h ASP 165 Ca -0.27 -0.06 -0.02 0.00 0.02 0.00 0.00 57.03 56.70 1aee h ASP 165 Cb 0.95 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 40.22 1aee h ASP 165 CO 0.27 0.80 0.12 -0.09 -1.72 0.00 0.00 179.24 178.62 1aee h ARG 166 N 1.21 0.48 -0.30 3.56 2.43 -1.97 -0.81 114.38 118.98 1aee h ARG 166 Ca 0.32 -0.09 -0.00 0.00 -0.81 0.00 0.00 59.98 59.39 1aee h ARG 166 Cb -0.07 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.39 1aee h ARG 166 CO -0.06 0.50 0.18 0.93 -1.51 0.00 0.00 179.97 180.01 1aee h GLU 167 N 0.36 0.42 -0.31 0.20 5.08 -1.85 -0.89 114.58 117.59 1aee h GLU 167 Ca 0.11 -0.04 0.05 0.00 -1.00 0.00 0.00 59.36 58.47 1aee h GLU 167 Cb 0.20 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.33 1aee h GLU 167 CO -0.01 0.33 0.05 0.28 -1.00 0.00 0.00 179.01 178.67 1aee h VAL 168 N 0.39 0.84 -0.48 3.13 2.07 -1.10 -0.97 116.25 120.12 1aee h VAL 168 Ca 0.11 -0.06 -0.10 0.00 0.82 0.00 0.00 66.70 67.47 1aee h VAL 168 Cb 0.02 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 30.44 1aee h VAL 168 CO -0.02 0.03 -0.11 0.58 0.02 0.00 0.00 177.57 178.07 1aee h VAL 169 N 0.16 1.27 -0.19 2.57 2.07 -0.99 -1.48 116.25 119.65 1aee h VAL 169 Ca 0.15 -1.24 0.02 0.00 0.82 0.00 0.00 66.70 66.45 1aee h VAL 169 Cb 0.16 1.09 -0.02 0.00 -1.52 0.00 0.00 31.29 31.00 1aee h VAL 169 CO -0.20 0.43 0.07 0.00 0.02 0.00 0.00 177.57 177.88 1aee h ALA 170 N 0.89 0.21 -0.98 1.67 0.00 -1.06 -2.99 119.26 117.00 1aee h ALA 170 Ca 0.12 0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.10 1aee h ALA 170 Cb 0.66 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.39 1aee h ALA 170 CO 0.05 -0.36 0.64 -0.07 0.00 0.00 0.00 179.25 179.51 1aee h LEU 171 N 0.16 1.05 -1.93 0.00 4.07 -1.02 -2.48 115.31 115.15 1aee h LEU 171 Ca 0.08 -0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.04 1aee h LEU 171 Cb 0.05 -0.23 0.00 0.00 1.08 0.00 0.00 40.66 41.56 1aee h LEU 171 CO -0.08 0.70 0.00 -0.03 -1.08 0.00 0.00 178.44 177.95 1aee h MET 172 N 1.20 0.00 -0.01 1.13 4.05 -1.12 -2.39 114.93 117.79 1aee h MET 172 Ca 0.40 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.83 1aee h MET 172 Cb 0.07 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 30.87 1aee h MET 172 CO -0.14 0.00 0.13 0.78 0.23 0.00 0.00 176.91 177.91 1aee h GLY 173 N 1.24 0.00 2.00 1.39 0.00 -1.38 0.10 103.07 106.42 1aee h GLY 173 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1aee h GLY 173 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.54 1aee h ALA 174 N 1.75 1.00 0.00 3.60 0.00 -1.62 -2.24 119.26 121.75 1aee h ALA 174 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1aee h ALA 174 Cb 0.27 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1aee h ALA 174 CO -0.00 0.00 0.00 0.72 0.00 0.00 0.00 179.25 179.97 1aee n HIS 175 N -2.83 0.00 0.30 0.00 8.25 0.02 -1.49 115.22 119.48 1aee n HIS 175 Ca -0.01 0.00 0.18 0.00 -0.26 0.00 0.00 57.72 57.64 1aee n HIS 175 Cb 0.17 -0.09 0.93 0.00 1.12 0.00 0.00 29.99 32.13 1aee n HIS 175 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1aee h ALA 176 N 2.81 1.10 -2.61 -1.41 0.00 -1.62 -3.42 119.26 114.11 1aee h ALA 176 Ca 0.00 -0.03 -0.57 0.00 0.00 0.00 0.00 54.91 54.31 1aee h ALA 176 Cb 0.04 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 1aee h ALA 176 CO 0.00 0.04 -0.15 -0.51 0.00 0.00 0.00 179.25 178.63 1aee s LEU 177 N -6.54 4.32 0.00 0.00 1.43 -0.55 -4.33 118.68 113.01 1aee s LEU 177 Ca -0.03 0.94 0.00 0.00 -1.03 0.00 0.00 54.13 54.02 1aee s LEU 177 Cb 0.12 -3.23 0.00 0.00 0.03 0.00 0.00 46.19 43.11 1aee s LEU 177 CO 0.50 0.10 0.00 0.61 0.23 0.00 0.00 176.35 177.79 1aee n GLY 178 N 0.69 2.29 3.62 -3.19 0.00 0.33 -4.94 105.19 103.99 1aee n GLY 178 Ca -0.05 -0.50 -0.07 0.00 0.00 0.00 0.00 46.02 45.39 1aee n GLY 178 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1aee s LYS 179 N 0.00 1.19 0.19 1.61 -2.85 -1.26 -4.39 119.74 114.23 1aee s LYS 179 Ca 0.00 -0.56 -0.15 0.00 -1.00 0.00 0.00 55.97 54.27 1aee s LYS 179 Cb 0.00 0.47 -0.07 0.00 -2.06 0.00 0.00 37.83 36.17 1aee s LYS 179 CO 0.00 -0.53 0.60 0.95 0.10 0.00 0.00 175.35 176.47 1aee s THR 180 N -3.44 4.79 -0.15 3.79 -4.23 -0.08 -4.96 115.64 111.37 1aee s THR 180 Ca 0.07 0.88 0.01 0.00 -1.18 0.00 0.00 61.69 61.47 1aee s THR 180 Cb -0.02 -3.73 0.02 0.00 1.34 0.00 0.00 72.50 70.11 1aee s THR 180 CO -0.04 0.15 -0.17 -1.00 -0.54 0.00 0.00 174.62 173.02 1aee s HIS 181 N -1.57 2.39 0.25 3.99 0.09 -1.13 -2.51 115.29 116.80 1aee s HIS 181 Ca 0.42 -1.32 -0.04 0.00 -0.00 0.00 0.00 55.06 54.12 1aee s HIS 181 Cb -0.14 -1.70 0.41 0.00 -0.00 0.00 0.00 32.58 31.15 1aee s HIS 181 CO 0.20 -0.67 1.81 1.25 -0.00 0.00 0.00 174.74 177.32 1aee h LEU 182 N 7.81 0.67 -0.82 0.89 5.85 -1.65 -0.61 115.31 127.46 1aee h LEU 182 Ca -0.38 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.39 1aee h LEU 182 Cb 1.15 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 42.10 1aee h LEU 182 CO 0.56 0.38 0.00 0.50 -0.34 0.00 0.00 178.44 179.54 1aee h LYS 183 N 0.79 0.00 0.11 1.25 3.64 -1.96 0.08 116.57 120.48 1aee h LYS 183 Ca 0.40 0.00 -0.37 0.00 -1.27 0.00 0.00 60.65 59.42 1aee h LYS 183 Cb 0.38 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.18 1aee h LYS 183 CO -0.25 0.00 -2.06 0.09 -2.27 0.00 0.00 179.45 174.96 1aee n ASN 184 N -2.53 2.11 0.00 4.20 3.02 -0.31 -4.80 115.26 116.96 1aee n ASN 184 Ca 0.02 0.16 0.00 0.00 -0.03 0.00 0.00 54.58 54.73 1aee n ASN 184 Cb 0.29 -0.80 0.00 0.00 -0.61 0.00 0.00 39.78 38.65 1aee n ASN 184 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1aee n SER 185 N -3.46 0.07 0.00 6.41 3.41 -0.76 -4.71 113.62 114.58 1aee n SER 185 Ca -0.34 -0.36 0.00 0.00 -0.26 0.00 0.00 58.87 57.91 1aee n SER 185 Cb 1.04 0.47 0.00 0.00 -0.26 0.00 0.00 64.21 65.46 1aee n SER 185 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1aee n GLY 186 N 0.47 0.58 3.25 5.00 0.00 0.01 -5.03 105.19 109.47 1aee n GLY 186 Ca 0.00 -0.33 -0.22 0.00 0.00 0.00 0.00 46.02 45.47 1aee n GLY 186 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1aee s TYR 187 N -2.00 1.61 -0.02 1.61 2.02 -1.26 -4.58 117.35 114.73 1aee s TYR 187 Ca 0.00 -0.44 0.01 0.00 -0.37 0.00 0.00 57.07 56.27 1aee s TYR 187 Cb 0.00 -0.88 0.01 0.00 -0.40 0.00 0.00 41.96 40.70 1aee s TYR 187 CO 0.00 0.17 -0.01 -2.00 -1.57 0.00 0.00 175.55 172.14 1aee s GLU 188 N -1.95 0.22 0.00 -0.62 2.56 -1.26 -1.54 118.70 116.12 1aee s GLU 188 Ca 0.05 0.01 0.00 0.00 0.00 0.00 0.00 54.97 55.03 1aee s GLU 188 Cb -0.09 -0.33 0.00 0.00 2.00 0.00 0.00 34.13 35.71 1aee s GLU 188 CO 0.04 -0.05 0.00 0.41 -0.56 0.00 0.00 175.26 175.09 1aee n GLY 189 N 3.63 3.44 3.93 -1.50 0.00 -1.04 -4.85 105.19 108.80 1aee n GLY 189 Ca -0.21 -1.90 -0.26 0.00 0.00 0.00 0.00 46.02 43.66 1aee n GLY 189 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1aee s PRO 190 N -3.00 2.46 0.00 1.61 0.04 -1.26 -0.90 135.00 133.95 1aee s PRO 190 Ca 0.00 -0.19 0.22 0.00 0.04 0.00 0.00 61.00 61.07 1aee s PRO 190 Cb 0.00 -2.22 0.26 0.00 0.04 0.00 0.00 34.50 32.59 1aee s PRO 190 CO 0.00 -1.03 1.26 0.41 0.04 0.00 0.00 177.00 177.68 1aee n GLY 191 N -2.78 1.16 0.00 0.56 0.00 -1.26 -0.68 105.19 102.19 1aee n GLY 191 Ca 0.07 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.44 1aee n GLY 191 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1aee n GLY 192 N 1.29 -0.69 0.17 -0.02 0.00 -1.26 -4.68 105.19 99.99 1aee n GLY 192 Ca 0.15 -0.96 -0.22 0.00 0.00 0.00 0.00 46.02 44.99 1aee n GLY 192 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1aee h ALA 193 N 0.00 -0.02 -1.71 4.61 0.00 -1.96 -3.39 119.26 116.79 1aee h ALA 193 Ca 0.00 -0.76 -0.76 0.00 0.00 0.00 0.00 54.91 53.39 1aee h ALA 193 Cb 0.00 0.11 -0.20 0.00 0.00 0.00 0.00 17.79 17.70 1aee h ALA 193 CO 0.00 0.64 1.29 0.00 0.00 0.00 0.00 179.25 181.18 1aee n ALA 194 N -2.68 4.32 -0.24 0.00 0.00 -1.26 -4.84 120.51 115.81 1aee n ALA 194 Ca -0.14 -4.37 0.09 0.00 0.00 0.00 0.00 53.44 49.01 1aee n ALA 194 Cb 0.96 -2.89 0.31 0.00 0.00 0.00 0.00 19.45 17.83 1aee n ALA 194 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1aee n ASN 195 N 4.46 4.01 -1.16 0.00 2.04 -1.26 -3.98 115.26 119.37 1aee n ASN 195 Ca 0.34 -2.29 0.04 0.00 -0.44 0.00 0.00 54.58 52.24 1aee n ASN 195 Cb 0.40 -0.51 0.05 0.00 -2.53 0.00 0.00 39.78 37.19 1aee n ASN 195 CO 0.00 0.00 0.00 -0.46 -0.44 0.00 0.00 177.26 176.36 1aee n ASN 196 N 1.07 1.01 -4.13 0.53 0.23 -1.26 -0.51 115.26 112.19 1aee n ASN 196 Ca 0.22 -2.34 -0.26 0.00 -0.53 0.00 0.00 54.58 51.67 1aee n ASN 196 Cb 0.73 -0.33 -0.16 0.00 -2.08 0.00 0.00 39.78 37.94 1aee n ASN 196 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 1aee s VAL 197 N -0.61 1.46 -0.44 3.53 1.01 -1.26 -4.80 120.40 119.30 1aee s VAL 197 Ca 0.30 -0.72 -0.28 0.00 0.00 0.00 0.00 61.98 61.27 1aee s VAL 197 Cb 0.33 -1.26 0.03 0.00 0.00 0.00 0.00 36.38 35.47 1aee s VAL 197 CO -0.12 0.42 1.09 0.12 0.00 0.00 0.00 175.10 176.61 1aee s PHE 198 N 0.11 2.91 0.26 5.22 2.19 0.25 -4.85 117.98 124.06 1aee s PHE 198 Ca -0.06 0.77 0.06 0.00 0.33 0.00 0.00 56.93 58.04 1aee s PHE 198 Cb -0.12 -4.20 -0.02 0.00 -1.31 0.00 0.00 43.02 37.36 1aee s PHE 198 CO 0.03 -1.13 0.21 0.25 1.83 0.00 0.00 175.22 176.41 1aee n THR 199 N 6.56 0.00 -0.23 0.12 -2.24 -1.26 -4.56 114.28 112.68 1aee n THR 199 Ca 0.11 -1.87 0.01 0.00 -2.27 0.00 0.00 64.05 60.04 1aee n THR 199 Cb 0.49 0.92 0.24 0.00 -2.10 0.00 0.00 70.33 69.87 1aee n THR 199 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1aee n ASN 200 N -1.97 3.93 0.03 3.42 6.94 -1.26 -4.54 115.26 121.81 1aee n ASN 200 Ca 0.05 -2.65 0.20 0.00 -0.02 0.00 0.00 54.58 52.16 1aee n ASN 200 Cb 0.46 -0.63 0.72 0.00 -2.36 0.00 0.00 39.78 37.97 1aee n ASN 200 CO 0.00 0.00 0.00 -0.08 -1.03 0.00 0.00 177.26 176.15 1aee h GLU 201 N 2.25 0.00 -0.84 -3.83 4.81 -1.95 -2.01 114.58 113.01 1aee h GLU 201 Ca 0.06 0.00 0.07 0.00 -0.13 0.00 0.00 59.36 59.36 1aee h GLU 201 Cb 1.55 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 30.87 1aee h GLU 201 CO 0.37 0.00 0.51 0.35 -0.73 0.00 0.00 179.01 179.51 1aee h PHE 202 N 0.00 0.94 -0.11 0.92 3.57 -1.84 -0.52 116.94 119.89 1aee h PHE 202 Ca 0.23 0.03 -0.23 0.00 3.53 0.00 0.00 57.97 61.53 1aee h PHE 202 Cb 0.99 -0.30 0.01 0.00 2.79 0.00 0.00 35.95 39.44 1aee h PHE 202 CO 0.00 0.45 -0.82 1.88 -2.23 0.00 0.00 178.31 177.59 1aee h TYR 203 N 0.91 1.04 -0.68 0.41 0.05 -1.72 -1.77 116.97 115.20 1aee h TYR 203 Ca 0.38 -0.49 -0.03 0.00 0.05 0.00 0.00 58.73 58.64 1aee h TYR 203 Cb 0.23 -0.15 -0.03 0.00 1.01 0.00 0.00 36.73 37.79 1aee h TYR 203 CO -0.04 1.32 0.31 -0.07 -1.05 0.00 0.00 178.16 178.63 1aee h LEU 204 N 0.46 0.91 -0.35 3.88 3.38 -1.42 -2.36 115.31 119.81 1aee h LEU 204 Ca -0.07 -0.14 -0.16 0.00 0.09 0.00 0.00 57.88 57.60 1aee h LEU 204 Cb 1.46 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.97 1aee h LEU 204 CO 0.17 0.80 -0.39 0.78 0.09 0.00 0.00 178.44 179.88 1aee h ASN 205 N 0.96 0.96 -0.47 -0.43 4.21 -1.07 -0.30 115.58 119.44 1aee h ASN 205 Ca 0.23 -0.48 0.01 0.00 1.21 0.00 0.00 56.30 57.28 1aee h ASN 205 Cb 0.15 -0.27 -0.03 0.00 -1.12 0.00 0.00 38.32 37.05 1aee h ASN 205 CO -0.03 1.24 0.29 0.25 -1.29 0.00 0.00 177.43 177.90 1aee h LEU 206 N 0.69 0.49 -0.16 1.61 5.85 -1.24 -1.49 115.31 121.06 1aee h LEU 206 Ca 0.05 -0.00 -0.13 0.00 0.84 0.00 0.00 57.88 58.64 1aee h LEU 206 Cb 0.99 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.89 1aee h LEU 206 CO 0.10 0.35 -0.61 -0.07 -0.34 0.00 0.00 178.44 177.86 1aee h LEU 207 N 0.59 0.00 0.00 2.25 3.38 -1.36 -3.39 115.31 116.78 1aee h LEU 207 Ca 0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.15 1aee h LEU 207 Cb -0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.73 1aee h LEU 207 CO -0.06 0.61 -0.79 0.59 0.09 0.00 0.00 178.44 178.87 1aee n ASN 208 N -3.32 0.89 -4.90 -0.43 5.03 -0.13 -5.01 115.26 107.39 1aee n ASN 208 Ca 0.01 -0.63 -0.28 0.00 0.87 0.00 0.00 54.58 54.54 1aee n ASN 208 Cb 0.75 1.12 -0.02 0.00 -1.02 0.00 0.00 39.78 40.61 1aee n ASN 208 CO 0.00 0.00 0.00 -1.61 -1.83 0.00 0.00 177.26 173.82 1aee s GLU 209 N -2.32 3.64 -0.62 3.52 0.41 -0.57 -5.02 118.70 117.75 1aee s GLU 209 Ca 0.03 0.25 -0.21 0.00 -0.41 0.00 0.00 54.97 54.63 1aee s GLU 209 Cb 0.09 -2.44 0.09 0.00 -1.78 0.00 0.00 34.13 30.09 1aee s GLU 209 CO 0.52 -0.06 0.83 0.34 -0.49 0.00 0.00 175.26 176.40 1aee s ASP 210 N -3.60 6.18 0.06 -0.19 2.15 -1.26 -4.97 116.67 115.04 1aee s ASP 210 Ca 0.48 -1.20 -0.20 0.00 0.43 0.00 0.00 52.55 52.06 1aee s ASP 210 Cb -0.10 -2.36 -0.06 0.00 -0.30 0.00 0.00 42.92 40.09 1aee s ASP 210 CO 0.37 -1.27 0.58 0.26 -0.17 0.00 0.00 175.17 174.94 1aee s TRP 211 N 3.35 3.79 -0.14 -5.34 0.52 -1.26 -4.08 118.94 115.78 1aee s TRP 211 Ca 0.17 1.28 0.01 0.00 0.02 0.00 0.00 56.10 57.58 1aee s TRP 211 Cb -0.21 -2.53 0.02 0.00 -1.15 0.00 0.00 33.47 29.60 1aee s TRP 211 CO 0.08 0.54 -0.17 0.21 0.02 0.00 0.00 176.95 177.64 1aee s LYS 212 N -0.94 2.49 -0.49 4.98 2.20 0.13 -4.89 119.74 123.21 1aee s LYS 212 Ca 0.30 -0.65 -0.28 0.00 -0.36 0.00 0.00 55.97 54.98 1aee s LYS 212 Cb -0.19 -2.15 0.01 0.00 -1.51 0.00 0.00 37.83 33.99 1aee s LYS 212 CO 0.19 -0.13 1.44 -1.17 -0.36 0.00 0.00 175.35 175.32 1aee s LEU 213 N 1.17 3.48 0.39 5.43 2.96 -1.26 -0.98 118.68 129.87 1aee s LEU 213 Ca -0.01 0.55 0.07 0.00 -0.22 0.00 0.00 54.13 54.52 1aee s LEU 213 Cb -0.14 -3.26 -0.08 0.00 0.50 0.00 0.00 46.19 43.21 1aee s LEU 213 CO -0.06 -1.61 0.01 -1.61 -1.32 0.00 0.00 176.35 171.75 1aee s GLU 214 N 5.32 1.90 -0.18 1.98 2.02 -0.46 -4.98 118.70 124.30 1aee s GLU 214 Ca 0.58 -2.07 -0.03 0.00 0.02 0.00 0.00 54.97 53.47 1aee s GLU 214 Cb -0.12 -1.54 -0.02 0.00 0.10 0.00 0.00 34.13 32.55 1aee s GLU 214 CO 0.29 -0.05 -0.06 0.21 0.02 0.00 0.00 175.26 175.66 1aee s LYS 215 N -3.73 3.48 0.90 1.61 2.20 -1.26 -1.32 119.74 121.62 1aee s LYS 215 Ca 0.35 -0.61 -0.10 0.00 -0.36 0.00 0.00 55.97 55.25 1aee s LYS 215 Cb 0.09 -2.89 0.20 0.00 -1.51 0.00 0.00 37.83 33.72 1aee s LYS 215 CO 0.17 0.05 1.23 0.54 -0.36 0.00 0.00 175.35 176.98 1aee s ASN 216 N 0.84 3.34 0.37 1.43 2.20 0.19 -4.90 114.94 118.40 1aee s ASN 216 Ca -0.02 -0.10 0.26 0.00 -0.94 0.00 0.00 52.86 52.06 1aee s ASN 216 Cb -0.15 0.03 1.28 0.00 -2.00 0.00 0.00 41.25 40.42 1aee s ASN 216 CO 0.01 -2.56 1.80 0.44 -2.94 0.00 0.00 177.10 173.85 1aee h ASP 217 N -1.32 0.00 -0.37 3.54 3.32 -1.92 0.70 116.42 120.36 1aee h ASP 217 Ca -0.40 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.65 1aee h ASP 217 Cb 1.23 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.78 1aee h ASP 217 CO 0.34 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.86 1aee n ALA 218 N -1.84 2.45 -2.06 3.45 0.00 -1.26 -4.92 120.51 116.33 1aee n ALA 218 Ca -0.00 -0.77 -0.12 0.00 0.00 0.00 0.00 53.44 52.55 1aee n ALA 218 Cb 0.13 -0.99 -0.02 0.00 0.00 0.00 0.00 19.45 18.58 1aee n ALA 218 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1aee n ASN 219 N 0.82 -4.06 -4.76 0.00 2.85 0.24 -5.03 115.26 105.32 1aee n ASN 219 Ca 0.17 0.05 -0.33 0.00 -0.11 0.00 0.00 54.58 54.36 1aee n ASN 219 Cb 0.41 -3.14 -0.08 0.00 1.24 0.00 0.00 39.78 38.22 1aee n ASN 219 CO 0.00 0.00 0.00 0.20 -2.11 0.00 0.00 177.26 175.35 1aee s ASN 220 N -2.53 5.56 0.23 1.20 0.02 -1.26 -4.85 114.94 113.32 1aee s ASN 220 Ca 0.00 0.14 -0.27 0.00 -1.02 0.00 0.00 52.86 51.71 1aee s ASN 220 Cb 0.00 -1.58 -0.09 0.00 0.02 0.00 0.00 41.25 39.60 1aee s ASN 220 CO 0.00 0.30 0.87 -1.61 0.02 0.00 0.00 177.10 176.68 1aee s GLU 221 N -1.52 4.67 0.07 -0.60 2.02 -1.26 -0.64 118.70 121.44 1aee s GLU 221 Ca 0.20 1.30 -0.10 0.00 0.02 0.00 0.00 54.97 56.39 1aee s GLU 221 Cb -0.12 -3.16 0.01 0.00 0.10 0.00 0.00 34.13 30.95 1aee s GLU 221 CO 0.11 0.49 0.23 1.14 0.02 0.00 0.00 175.26 177.25 1aee s GLN 222 N -1.37 0.82 -0.20 1.61 -2.07 -0.43 -4.65 119.66 113.36 1aee s GLN 222 Ca 0.41 -0.77 -0.23 0.00 -1.82 0.00 0.00 55.36 52.95 1aee s GLN 222 Cb -0.23 0.34 -0.02 0.00 -1.09 0.00 0.00 33.01 32.01 1aee s GLN 222 CO 0.28 -0.26 0.73 -1.58 -1.32 0.00 0.00 175.29 173.14 1aee s TRP 223 N -3.29 3.36 0.02 9.60 0.52 -0.45 -1.36 118.94 127.35 1aee s TRP 223 Ca 0.00 1.05 0.07 0.00 0.02 0.00 0.00 56.10 57.24 1aee s TRP 223 Cb 0.02 -2.92 -0.03 0.00 -1.15 0.00 0.00 33.47 29.39 1aee s TRP 223 CO -0.08 -0.26 -0.18 -0.51 0.02 0.00 0.00 176.95 175.95 1aee s ASP 224 N 1.25 3.81 0.23 2.95 1.01 -0.15 -0.26 116.67 125.51 1aee s ASP 224 Ca 0.32 -0.39 0.09 0.00 0.71 0.00 0.00 52.55 53.29 1aee s ASP 224 Cb -0.16 -0.64 -0.04 0.00 1.01 0.00 0.00 42.92 43.09 1aee s ASP 224 CO 0.10 0.27 -0.05 -0.94 0.21 0.00 0.00 175.17 174.76 1aee s SER 225 N -1.29 4.38 0.33 0.27 1.04 -0.60 0.19 113.70 118.01 1aee s SER 225 Ca 0.14 -0.64 0.07 0.00 0.48 0.00 0.00 55.95 56.00 1aee s SER 225 Cb -0.10 -0.77 0.76 0.00 0.10 0.00 0.00 66.02 66.01 1aee s SER 225 CO 0.04 0.04 1.84 0.11 0.98 0.00 0.00 173.24 176.25 1aee h LYS 226 N 2.31 0.74 0.00 4.02 6.56 -1.90 -0.93 116.57 127.37 1aee h LYS 226 Ca -0.45 -0.04 0.00 0.00 -1.06 0.00 0.00 60.65 59.10 1aee h LYS 226 Cb 1.23 -0.17 0.00 0.00 -0.57 0.00 0.00 32.23 32.73 1aee h LYS 226 CO 0.58 0.49 0.00 0.43 -2.06 0.00 0.00 179.45 178.89 1aee n SER 227 N -4.62 0.00 0.00 0.86 7.64 -1.26 -4.83 113.62 111.40 1aee n SER 227 Ca 0.20 0.09 0.00 0.00 1.01 0.00 0.00 58.87 60.16 1aee n SER 227 Cb 0.49 -0.24 0.00 0.00 -1.01 0.00 0.00 64.21 63.45 1aee n SER 227 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1aee n GLY 228 N -0.50 0.79 3.97 0.23 0.00 -0.35 -5.08 105.19 104.26 1aee n GLY 228 Ca 0.05 -0.12 -0.21 0.00 0.00 0.00 0.00 46.02 45.74 1aee n GLY 228 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1aee s TYR 229 N -2.00 3.21 0.03 1.61 2.02 -1.25 -4.59 117.35 116.38 1aee s TYR 229 Ca 0.00 -0.03 0.00 0.00 -0.37 0.00 0.00 57.07 56.67 1aee s TYR 229 Cb 0.00 -2.03 -0.02 0.00 -0.40 0.00 0.00 41.96 39.50 1aee s TYR 229 CO 0.00 -0.06 -0.04 0.00 -1.57 0.00 0.00 175.55 173.89 1aee s MET 230 N -4.27 0.38 -0.02 -0.62 0.23 0.15 -1.56 119.30 113.59 1aee s MET 230 Ca 0.44 -0.72 0.05 0.00 -1.03 0.00 0.00 55.69 54.43 1aee s MET 230 Cb -0.10 0.08 -0.01 0.00 -1.53 0.00 0.00 34.83 33.28 1aee s MET 230 CO 0.33 -0.05 -0.16 -1.64 -2.03 0.00 0.00 175.02 171.47 1aee s MET 231 N -1.86 1.44 0.66 3.16 -1.94 0.64 -4.23 119.30 117.18 1aee s MET 231 Ca -0.12 -0.58 -0.15 0.00 -1.71 0.00 0.00 55.69 53.13 1aee s MET 231 Cb -0.07 -1.34 0.00 0.00 2.01 0.00 0.00 34.83 35.43 1aee s MET 231 CO -0.02 0.31 1.12 -0.51 -0.01 0.00 0.00 175.02 175.91 1aee s LEU 232 N -0.22 3.40 0.23 -0.03 1.43 -1.26 -1.35 118.68 120.88 1aee s LEU 232 Ca 0.03 2.06 -0.10 0.00 -1.03 0.00 0.00 54.13 55.08 1aee s LEU 232 Cb -0.08 -4.56 0.33 0.00 0.03 0.00 0.00 46.19 41.92 1aee s LEU 232 CO 0.00 -1.69 1.63 -0.65 0.23 0.00 0.00 176.35 175.87 1aee h PRO 233 N 0.05 0.05 0.00 1.29 0.11 -1.82 -1.04 132.00 130.63 1aee h PRO 233 Ca -0.47 -0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.60 1aee h PRO 233 Cb 1.25 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.35 1aee h PRO 233 CO 0.54 0.03 -0.17 1.79 -0.21 0.00 0.00 178.00 179.98 1aee h THR 234 N 0.05 0.72 -0.22 -1.15 1.35 -1.40 -1.91 112.91 110.36 1aee h THR 234 Ca 0.36 -0.68 -0.07 0.00 -0.55 0.00 0.00 66.41 65.47 1aee h THR 234 Cb 0.59 1.42 -0.01 0.00 -1.73 0.00 0.00 68.15 68.42 1aee h THR 234 CO -0.66 0.16 -0.12 0.44 -0.25 0.00 0.00 175.52 175.08 1aee h ASP 235 N 0.00 0.49 0.48 5.36 3.32 -1.54 -3.25 116.42 121.27 1aee h ASP 235 Ca -0.00 -0.42 -0.07 0.00 0.02 0.00 0.00 57.03 56.55 1aee h ASP 235 Cb 0.40 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.81 1aee h ASP 235 CO 0.02 0.80 -0.34 0.22 -1.72 0.00 0.00 179.24 178.22 1aee h TYR 236 N 0.17 0.00 -1.32 4.55 3.20 -0.96 -2.71 116.97 119.90 1aee h TYR 236 Ca 0.05 0.00 0.43 0.00 3.14 0.00 0.00 58.73 62.35 1aee h TYR 236 Cb 0.63 0.00 -0.13 0.00 1.54 0.00 0.00 36.73 38.77 1aee h TYR 236 CO 0.07 0.34 0.86 0.77 -1.64 0.00 0.00 178.16 178.56 1aee h SER 237 N 0.00 0.24 0.42 -2.11 0.02 -1.39 -1.68 113.55 109.06 1aee h SER 237 Ca -0.00 0.13 -0.04 0.00 -0.84 0.00 0.00 61.79 61.04 1aee h SER 237 Cb 0.68 0.12 -0.01 0.00 0.14 0.00 0.00 62.40 63.33 1aee h SER 237 CO 0.04 -0.17 -0.19 -0.07 -1.14 0.00 0.00 176.83 175.31 1aee h LEU 238 N 0.09 0.00 -0.16 5.07 3.38 -1.64 -1.79 115.31 120.26 1aee h LEU 238 Ca 0.81 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.78 1aee h LEU 238 Cb 2.56 0.00 0.00 0.00 0.09 0.00 0.00 40.66 43.31 1aee h LEU 238 CO -0.40 0.19 -0.73 2.30 0.09 0.00 0.00 178.44 179.89 1aee n ILE 239 N -3.76 0.00 0.13 1.22 -5.35 -0.64 -1.63 119.36 109.33 1aee n ILE 239 Ca -0.02 -0.04 0.04 0.00 -0.27 0.00 0.00 62.75 62.46 1aee n ILE 239 Cb 0.30 0.75 0.02 0.00 -1.74 0.00 0.00 39.64 38.97 1aee n ILE 239 CO 0.00 0.00 0.00 1.56 -1.76 0.00 0.00 176.55 176.35 1aee h GLN 240 N 0.38 0.00 -5.65 6.28 4.20 -1.26 -3.45 115.11 115.60 1aee h GLN 240 Ca 0.00 0.00 -0.61 0.00 0.06 0.00 0.00 58.65 58.10 1aee h GLN 240 Cb 0.53 0.00 -0.08 0.00 0.30 0.00 0.00 27.48 28.23 1aee h GLN 240 CO 0.00 0.37 -0.32 0.34 -0.67 0.00 0.00 178.83 178.55 1aee s ASP 241 N -6.24 6.52 0.26 1.46 -1.08 -0.92 -5.01 116.67 111.66 1aee s ASP 241 Ca 0.03 0.62 0.02 0.00 -0.52 0.00 0.00 52.55 52.70 1aee s ASP 241 Cb 0.08 -2.18 0.35 0.00 -1.46 0.00 0.00 42.92 39.70 1aee s ASP 241 CO 0.75 0.22 1.67 1.55 0.52 0.00 0.00 175.17 179.88 1aee h PRO 242 N 5.84 0.46 -0.06 4.34 0.13 -1.90 -0.43 132.00 140.37 1aee h PRO 242 Ca -0.47 -0.20 -0.01 0.00 -0.87 0.00 0.00 66.00 64.45 1aee h PRO 242 Cb 1.19 -0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.31 1aee h PRO 242 CO 0.69 0.74 -0.02 0.87 -0.23 0.00 0.00 178.00 180.05 1aee h LYS 243 N 0.39 0.12 -0.31 0.86 1.57 -1.94 -2.87 116.57 114.39 1aee h LYS 243 Ca 0.05 -0.05 0.03 0.00 -1.87 0.00 0.00 60.65 58.80 1aee h LYS 243 Cb 0.79 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 33.06 1aee h LYS 243 CO 0.06 0.46 0.13 1.88 -0.57 0.00 0.00 179.45 181.42 1aee h TYR 244 N -0.22 0.25 -0.97 -1.35 0.05 -1.79 -3.00 116.97 109.92 1aee h TYR 244 Ca 0.02 0.01 0.05 0.00 0.05 0.00 0.00 58.73 58.86 1aee h TYR 244 Cb 0.41 -0.07 -0.06 0.00 1.01 0.00 0.00 36.73 38.03 1aee h TYR 244 CO 0.05 0.13 0.63 1.25 -1.05 0.00 0.00 178.16 179.17 1aee h LEU 245 N 0.29 1.03 -1.18 3.88 5.85 -0.10 -0.85 115.31 124.24 1aee h LEU 245 Ca 0.13 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.78 1aee h LEU 245 Cb 0.07 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 40.87 1aee h LEU 245 CO -0.11 0.68 -0.35 0.77 -0.34 0.00 0.00 178.44 179.09 1aee h SER 246 N 1.18 0.00 0.22 1.25 4.64 -1.37 -1.54 113.55 117.94 1aee h SER 246 Ca 0.41 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.51 1aee h SER 246 Cb 0.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 1aee h SER 246 CO -0.15 0.35 -0.86 0.40 -0.87 0.00 0.00 176.83 175.70 1aee h ILE 247 N 0.00 1.37 -0.52 0.95 2.04 -1.21 -2.03 117.51 118.11 1aee h ILE 247 Ca -0.00 -2.27 0.07 0.00 1.00 0.00 0.00 64.86 63.66 1aee h ILE 247 Cb 0.75 2.26 -0.06 0.00 -0.74 0.00 0.00 36.82 39.03 1aee h ILE 247 CO 0.05 0.69 0.18 0.58 0.00 0.00 0.00 178.15 179.64 1aee h VAL 248 N 0.30 0.81 -0.57 1.67 2.07 -0.95 -1.88 116.25 117.70 1aee h VAL 248 Ca -0.06 -0.12 -0.05 0.00 0.82 0.00 0.00 66.70 67.28 1aee h VAL 248 Cb 1.48 0.42 -0.03 0.00 -1.52 0.00 0.00 31.29 31.64 1aee h VAL 248 CO 0.15 0.07 0.15 0.11 0.02 0.00 0.00 177.57 178.07 1aee h LYS 249 N 0.36 0.88 -0.61 1.57 1.57 -1.17 -1.01 116.57 118.16 1aee h LYS 249 Ca 0.25 -0.18 -0.03 0.00 -1.87 0.00 0.00 60.65 58.82 1aee h LYS 249 Cb 0.28 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.43 1aee h LYS 249 CO -0.26 0.78 0.27 1.49 -0.57 0.00 0.00 179.45 181.16 1aee h GLU 250 N 0.85 0.90 0.00 3.15 4.81 -0.75 -2.30 114.58 121.24 1aee h GLU 250 Ca 0.19 -0.15 -0.12 0.00 -0.13 0.00 0.00 59.36 59.15 1aee h GLU 250 Cb 0.29 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.50 1aee h GLU 250 CO -0.00 0.75 -0.58 1.88 -0.73 0.00 0.00 179.01 180.32 1aee h TYR 251 N 0.84 0.00 0.00 0.92 0.05 -1.20 -2.03 116.97 115.55 1aee h TYR 251 Ca 0.21 0.00 -0.09 0.00 0.05 0.00 0.00 58.73 58.90 1aee h TYR 251 Cb 0.16 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.89 1aee h TYR 251 CO 0.01 0.58 -0.43 0.00 -1.05 0.00 0.00 178.16 177.27 1aee h ALA 252 N 1.42 1.25 -0.09 3.88 0.00 -1.13 -3.13 119.26 121.46 1aee h ALA 252 Ca -0.01 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1aee h ALA 252 Cb 1.25 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1aee h ALA 252 CO 0.08 0.54 0.00 0.09 0.00 0.00 0.00 179.25 179.95 1aee n ASN 253 N -3.97 2.63 -3.30 0.00 3.02 -0.87 -4.79 115.26 107.97 1aee n ASN 253 Ca -0.02 -1.86 -0.10 0.00 -0.03 0.00 0.00 54.58 52.57 1aee n ASN 253 Cb 0.46 -0.05 -0.05 0.00 -0.61 0.00 0.00 39.78 39.53 1aee n ASN 253 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1aee s ASP 254 N -1.89 0.21 0.37 6.41 -1.08 -0.78 -5.02 116.67 114.88 1aee s ASP 254 Ca 0.32 -1.05 0.11 0.00 -0.52 0.00 0.00 52.55 51.41 1aee s ASP 254 Cb 0.20 1.09 0.72 0.00 -1.46 0.00 0.00 42.92 43.48 1aee s ASP 254 CO 0.31 -0.26 1.85 0.06 0.52 0.00 0.00 175.17 177.65 1aee h GLN 255 N 7.32 0.12 -0.54 4.34 3.07 -1.87 -2.53 115.11 125.02 1aee h GLN 255 Ca 0.02 -0.04 -0.08 0.00 0.09 0.00 0.00 58.65 58.64 1aee h GLN 255 Cb 1.11 -0.01 -0.02 0.00 0.08 0.00 0.00 27.48 28.64 1aee h GLN 255 CO 0.19 0.40 0.04 0.22 0.09 0.00 0.00 178.83 179.76 1aee h ASP 256 N 0.11 0.91 -0.51 0.06 3.58 -1.95 -0.70 116.42 117.92 1aee h ASP 256 Ca 0.02 -0.29 -0.03 0.00 0.42 0.00 0.00 57.03 57.15 1aee h ASP 256 Cb 0.56 -0.24 -0.02 0.00 1.72 0.00 0.00 39.33 41.34 1aee h ASP 256 CO 0.04 0.97 0.21 0.50 -2.88 0.00 0.00 179.24 178.09 1aee h LYS 257 N 0.82 0.76 -0.05 0.28 1.63 -1.93 -1.59 116.57 116.49 1aee h LYS 257 Ca 0.16 -0.13 0.03 0.00 -0.85 0.00 0.00 60.65 59.86 1aee h LYS 257 Cb 0.49 -0.13 -0.04 0.00 -0.60 0.00 0.00 32.23 31.95 1aee h LYS 257 CO 0.02 0.66 -0.20 0.35 -3.45 0.00 0.00 179.45 176.83 1aee h PHE 258 N 0.68 -0.52 -0.48 1.91 3.57 -1.24 -0.66 116.94 120.20 1aee h PHE 258 Ca 0.17 0.02 0.08 0.00 3.53 0.00 0.00 57.97 61.77 1aee h PHE 258 Cb 0.18 0.24 -0.06 0.00 2.79 0.00 0.00 35.95 39.10 1aee h PHE 258 CO 0.00 -0.28 0.10 0.74 -2.23 0.00 0.00 178.31 176.64 1aee h PHE 259 N -0.29 0.17 -0.48 0.41 -1.00 -0.98 0.36 116.94 115.12 1aee h PHE 259 Ca 0.07 0.03 -0.04 0.00 2.81 0.00 0.00 57.97 60.84 1aee h PHE 259 Cb 0.40 -0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.93 1aee h PHE 259 CO -0.27 0.01 0.14 0.87 -1.61 0.00 0.00 178.31 177.45 1aee h LYS 260 N 0.24 0.76 -0.19 1.51 1.57 -1.15 -2.16 116.57 117.15 1aee h LYS 260 Ca 0.24 -0.17 -0.13 0.00 -1.87 0.00 0.00 60.65 58.71 1aee h LYS 260 Cb 0.30 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.50 1aee h LYS 260 CO -0.30 0.72 -0.45 -0.44 -0.57 0.00 0.00 179.45 178.41 1aee h ASP 261 N 0.65 0.50 -0.33 0.86 5.19 -0.88 -2.79 116.42 119.62 1aee h ASP 261 Ca 0.16 -0.23 -0.02 0.00 -0.62 0.00 0.00 57.03 56.31 1aee h ASP 261 Cb 0.29 -0.14 -0.01 0.00 0.18 0.00 0.00 39.33 39.64 1aee h ASP 261 CO -0.00 0.88 0.14 0.15 -3.12 0.00 0.00 179.24 177.29 1aee h PHE 262 N 0.38 0.50 -0.22 4.55 3.57 -0.82 -2.00 116.94 122.91 1aee h PHE 262 Ca 0.03 -0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.54 1aee h PHE 262 Cb 0.94 -0.15 -0.05 0.00 2.79 0.00 0.00 35.95 39.48 1aee h PHE 262 CO 0.03 0.46 -0.09 1.03 -2.23 0.00 0.00 178.31 177.51 1aee h SER 263 N 0.40 -0.32 -0.47 0.41 0.87 -1.33 0.21 113.55 113.32 1aee h SER 263 Ca 0.11 0.08 -0.02 0.00 -1.23 0.00 0.00 61.79 60.73 1aee h SER 263 Cb 0.17 0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 62.29 1aee h SER 263 CO -0.01 -0.12 0.21 0.11 -0.53 0.00 0.00 176.83 176.49 1aee h LYS 264 N -0.06 0.68 -0.01 2.24 1.57 -1.48 -1.83 116.57 117.67 1aee h LYS 264 Ca 0.12 -0.11 -0.16 0.00 -1.87 0.00 0.00 60.65 58.63 1aee h LYS 264 Cb 0.24 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.41 1aee h LYS 264 CO -0.26 0.59 -0.73 0.00 -0.57 0.00 0.00 179.45 178.48 1aee h ALA 265 N 1.06 0.78 -0.17 3.86 0.00 -1.05 -2.04 119.26 121.69 1aee h ALA 265 Ca 0.16 -0.66 -0.21 0.00 0.00 0.00 0.00 54.91 54.20 1aee h ALA 265 Cb 0.14 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 17.83 1aee h ALA 265 CO -0.02 0.89 -0.73 0.35 0.00 0.00 0.00 179.25 179.74 1aee h PHE 266 N 0.03 1.04 -0.45 0.00 3.57 -0.54 -0.69 116.94 119.89 1aee h PHE 266 Ca -0.01 -0.44 -0.04 0.00 3.53 0.00 0.00 57.97 61.01 1aee h PHE 266 Cb 1.29 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 39.85 1aee h PHE 266 CO 0.01 1.27 0.13 1.49 -2.23 0.00 0.00 178.31 178.98 1aee h GLU 267 N 0.55 0.70 -0.61 1.11 4.81 -1.32 -1.80 114.58 118.02 1aee h GLU 267 Ca -0.04 -0.16 0.01 0.00 -0.13 0.00 0.00 59.36 59.05 1aee h GLU 267 Cb 1.36 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 30.60 1aee h GLU 267 CO 0.15 0.68 0.39 -0.22 -0.73 0.00 0.00 179.01 179.29 1aee h LYS 268 N 0.59 0.77 -0.47 1.92 3.64 -1.28 -1.53 116.57 120.21 1aee h LYS 268 Ca 0.14 -0.05 0.07 0.00 -1.27 0.00 0.00 60.65 59.55 1aee h LYS 268 Cb 0.28 -0.17 -0.06 0.00 -0.41 0.00 0.00 32.23 31.86 1aee h LYS 268 CO -0.00 0.51 0.10 1.25 -2.27 0.00 0.00 179.45 179.04 1aee h LEU 269 N 0.80 0.03 -1.11 5.20 5.85 -0.91 -1.04 115.31 124.13 1aee h LEU 269 Ca 0.23 0.08 0.00 0.00 0.84 0.00 0.00 57.88 59.03 1aee h LEU 269 Cb -0.06 0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.07 1aee h LEU 269 CO -0.06 0.05 0.00 -0.07 -0.34 0.00 0.00 178.44 178.02 1aee h LEU 270 N 0.24 0.00 -0.14 2.25 3.38 -0.81 -3.24 115.31 116.99 1aee h LEU 270 Ca 0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.20 1aee h LEU 270 Cb 0.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.04 1aee h LEU 270 CO -0.29 0.00 -0.65 -0.62 0.09 0.00 0.00 178.44 176.97 1aee n GLU 271 N -2.93 1.95 -1.65 1.13 1.02 -0.62 -4.68 120.64 114.87 1aee n GLU 271 Ca 0.01 -0.13 -0.47 0.00 -0.02 0.00 0.00 57.16 56.55 1aee n GLU 271 Cb 0.32 -1.22 -0.04 0.00 -0.02 0.00 0.00 31.44 30.48 1aee n GLU 271 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1aee n ASP 272 N -1.16 2.59 0.00 1.62 8.00 -0.44 -1.98 116.55 125.19 1aee n ASP 272 Ca 0.03 1.11 0.00 0.00 0.71 0.00 0.00 54.79 56.64 1aee n ASP 272 Cb 0.25 -1.36 0.00 0.00 -0.02 0.00 0.00 41.12 39.99 1aee n ASP 272 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1aee n GLY 273 N 2.87 1.69 3.73 0.44 0.00 -1.26 -4.52 105.19 108.14 1aee n GLY 273 Ca 0.16 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.82 1aee n GLY 273 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1aee s ILE 274 N -2.34 5.31 -0.27 -0.61 1.01 -0.84 -4.21 121.20 119.26 1aee s ILE 274 Ca 0.00 0.51 -0.16 0.00 0.00 0.00 0.00 60.65 61.01 1aee s ILE 274 Cb 0.00 -3.61 -0.03 0.00 0.01 0.00 0.00 42.46 38.82 1aee s ILE 274 CO 0.00 0.40 0.40 -0.89 0.00 0.00 0.00 174.94 174.86 1aee s THR 275 N 0.38 5.15 -0.28 2.92 2.01 0.58 -4.95 115.64 121.44 1aee s THR 275 Ca 0.16 0.64 -0.11 0.00 0.31 0.00 0.00 61.69 62.69 1aee s THR 275 Cb -0.13 -3.73 -0.05 0.00 0.01 0.00 0.00 72.50 68.61 1aee s THR 275 CO 0.04 0.14 0.18 -0.36 -0.69 0.00 0.00 174.62 173.93 1aee s PHE 276 N 2.10 3.21 0.67 4.92 0.08 -1.26 -0.80 117.98 126.90 1aee s PHE 276 Ca 0.16 0.06 -0.17 0.00 0.12 0.00 0.00 56.93 57.10 1aee s PHE 276 Cb -0.16 -2.37 -0.01 0.00 -0.57 0.00 0.00 43.02 39.92 1aee s PHE 276 CO 0.10 -0.18 1.08 -2.30 -0.10 0.00 0.00 175.22 173.81 1aee n PRO 277 N 5.05 0.77 0.09 0.24 -0.02 -1.26 -4.93 135.00 134.94 1aee n PRO 277 Ca -0.14 0.32 0.11 0.00 -2.02 0.00 0.00 63.50 61.77 1aee n PRO 277 Cb 0.52 -2.31 0.45 0.00 -0.02 0.00 0.00 33.50 32.14 1aee n PRO 277 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1aee n LYS 278 N -1.72 0.15 -0.06 -0.52 0.00 -1.26 -1.16 118.16 113.59 1aee n LYS 278 Ca 0.14 0.33 0.10 0.00 0.00 0.00 0.00 58.31 58.87 1aee n LYS 278 Cb 0.49 -1.76 0.41 0.00 0.00 0.00 0.00 35.03 34.17 1aee n LYS 278 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 1aee n ASP 279 N -2.04 1.10 -4.78 3.14 5.75 -1.26 -4.91 116.55 113.56 1aee n ASP 279 Ca 0.03 -1.64 -0.35 0.00 -0.01 0.00 0.00 54.79 52.83 1aee n ASP 279 Cb 0.26 -0.07 -0.01 0.00 -1.03 0.00 0.00 41.12 40.26 1aee n ASP 279 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1aee s ALA 280 N -1.85 2.77 0.76 2.12 0.00 -0.31 -5.01 121.76 120.24 1aee s ALA 280 Ca 0.30 0.76 -0.14 0.00 0.00 0.00 0.00 51.96 52.88 1aee s ALA 280 Cb 0.15 -3.33 0.06 0.00 0.00 0.00 0.00 23.12 20.00 1aee s ALA 280 CO 0.24 -0.61 1.18 -1.25 0.00 0.00 0.00 175.76 175.31 1aee s PRO 281 N -3.22 1.99 0.89 0.00 0.04 -1.26 -5.01 135.00 128.43 1aee s PRO 281 Ca 0.70 1.64 -0.12 0.00 0.04 0.00 0.00 61.00 63.27 1aee s PRO 281 Cb -0.22 -1.83 0.10 0.00 0.04 0.00 0.00 34.50 32.59 1aee s PRO 281 CO 0.25 -1.92 0.97 0.43 0.04 0.00 0.00 177.00 176.77 1aee n SER 282 N -3.05 -0.09 -4.68 6.66 7.64 -1.26 -4.95 113.62 113.88 1aee n SER 282 Ca 0.12 0.45 -0.43 0.00 1.01 0.00 0.00 58.87 60.02 1aee n SER 282 Cb 0.51 -1.41 -0.01 0.00 -1.01 0.00 0.00 64.21 62.28 1aee n SER 282 CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 1aee n PRO 283 N -3.27 2.08 -2.94 1.43 -0.01 -1.26 -4.92 135.00 126.10 1aee n PRO 283 Ca 0.11 0.73 -0.39 0.00 -0.01 0.00 0.00 63.50 63.95 1aee n PRO 283 Cb 0.52 -2.34 -0.06 0.00 -0.01 0.00 0.00 33.50 31.61 1aee n PRO 283 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 175.50 175.43 1aee s PHE 284 N -0.68 3.86 -0.36 6.00 0.08 0.71 -4.80 117.98 122.80 1aee s PHE 284 Ca 0.60 1.66 -0.06 0.00 0.12 0.00 0.00 56.93 59.25 1aee s PHE 284 Cb -0.60 -2.80 0.05 0.00 -0.57 0.00 0.00 43.02 39.11 1aee s PHE 284 CO 0.57 0.44 0.13 0.42 -0.10 0.00 0.00 175.22 176.69 1aee s ILE 285 N -1.27 3.78 0.22 0.64 -1.09 -1.26 -1.58 121.20 120.63 1aee s ILE 285 Ca 0.39 -1.27 -0.25 0.00 -2.23 0.00 0.00 60.65 57.30 1aee s ILE 285 Cb -0.22 -3.21 -0.08 0.00 -1.58 0.00 0.00 42.46 37.37 1aee s ILE 285 CO 0.26 -0.27 0.82 -0.36 -1.23 0.00 0.00 174.94 174.15 1aee s PHE 286 N 1.38 3.83 0.32 3.97 0.08 -1.26 -5.05 117.98 121.24 1aee s PHE 286 Ca -0.00 1.65 -0.28 0.00 0.12 0.00 0.00 56.93 58.42 1aee s PHE 286 Cb -0.20 -2.79 -0.09 0.00 -0.57 0.00 0.00 43.02 39.36 1aee s PHE 286 CO 0.02 0.42 1.07 0.15 -0.10 0.00 0.00 175.22 176.77 1aee s LYS 287 N -1.48 4.49 0.80 0.44 1.02 -1.26 -5.00 119.74 118.75 1aee s LYS 287 Ca 0.40 1.67 -0.12 0.00 0.02 0.00 0.00 55.97 57.95 1aee s LYS 287 Cb -0.21 -2.97 0.07 0.00 -0.52 0.00 0.00 37.83 34.20 1aee s LYS 287 CO 0.26 0.12 1.10 0.95 -0.92 0.00 0.00 175.35 176.85 1aee s THR 288 N -1.34 2.99 0.25 2.17 -4.23 -1.26 -4.92 115.64 109.31 1aee s THR 288 Ca 0.49 0.32 -0.03 0.00 -1.18 0.00 0.00 61.69 61.29 1aee s THR 288 Cb -0.28 -3.10 0.23 0.00 1.34 0.00 0.00 72.50 70.69 1aee s THR 288 CO 0.36 -0.42 1.81 -0.07 -0.54 0.00 0.00 174.62 175.75 1aee h LEU 289 N -1.08 0.69 -0.49 4.79 3.38 -1.97 -2.28 115.31 118.36 1aee h LEU 289 Ca -0.47 0.06 0.02 0.00 0.09 0.00 0.00 57.88 57.57 1aee h LEU 289 Cb 1.27 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.92 1aee h LEU 289 CO 0.60 0.37 0.30 -0.08 0.09 0.00 0.00 178.44 179.73 1aee h GLU 290 N 0.80 0.59 0.00 1.13 4.81 -1.93 0.13 114.58 120.11 1aee h GLU 290 Ca 0.43 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.62 1aee h GLU 290 Cb 0.44 -0.13 -0.00 0.00 0.63 0.00 0.00 28.75 29.68 1aee h GLU 290 CO -0.27 0.39 -0.01 0.93 -0.73 0.00 0.00 179.01 179.32 1aee h GLU 291 N 0.61 0.00 -0.01 1.92 5.08 -1.80 -2.36 114.58 118.02 1aee h GLU 291 Ca 0.19 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 1aee h GLU 291 Cb -0.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.23 1aee h GLU 291 CO -0.07 0.01 -0.27 1.04 -1.00 0.00 0.00 179.01 178.73 1aee n GLN 292 N -3.11 1.08 -1.40 2.33 6.02 0.25 -4.96 117.38 117.60 1aee n GLN 292 Ca -0.00 -0.73 -0.13 0.00 -0.01 0.00 0.00 57.00 56.13 1aee n GLN 292 Cb 0.27 -1.48 -0.06 0.00 1.02 0.00 0.00 30.24 29.98 1aee n GLN 292 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1aee n GLY 293 N 1.34 1.40 0.64 1.08 0.00 0.01 -5.06 105.19 104.60 1aee n GLY 293 Ca 0.12 -0.40 0.13 0.00 0.00 0.00 0.00 46.02 45.88 1aee n GLY 293 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36