#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bj9 s VAL 5 N 0.00 1.43 -0.24 4.08 1.01 -1.26 -4.90 120.40 120.52 1bj9 s VAL 5 Ca 0.00 -0.90 -0.00 0.00 0.00 0.00 0.00 61.98 61.07 1bj9 s VAL 5 Cb 0.00 -1.22 0.07 0.00 0.00 0.00 0.00 36.38 35.23 1bj9 s VAL 5 CO 0.00 0.29 -0.01 -1.00 0.00 0.00 0.00 175.10 174.38 1bj9 s HIS 6 N -0.57 2.09 -0.14 5.22 3.76 -1.26 -5.05 115.29 119.33 1bj9 s HIS 6 Ca 0.06 -1.62 -0.10 0.00 -0.15 0.00 0.00 55.06 53.26 1bj9 s HIS 6 Cb -0.07 -1.54 -0.05 0.00 1.11 0.00 0.00 32.58 32.03 1bj9 s HIS 6 CO 0.00 -0.76 0.19 0.08 -0.85 0.00 0.00 174.74 173.41 1bj9 s VAL 7 N 1.50 5.39 0.11 -0.90 1.01 -1.26 0.07 120.40 126.31 1bj9 s VAL 7 Ca -0.02 0.33 -0.31 0.00 0.00 0.00 0.00 61.98 61.98 1bj9 s VAL 7 Cb -0.18 -3.50 -0.08 0.00 0.00 0.00 0.00 36.38 32.62 1bj9 s VAL 7 CO -0.09 0.52 1.42 0.00 0.00 0.00 0.00 175.10 176.95 1bj9 s ALA 8 N -0.33 3.61 -0.25 5.51 0.00 -0.23 -4.85 121.76 125.23 1bj9 s ALA 8 Ca 0.14 1.13 0.00 0.00 0.00 0.00 0.00 51.96 53.24 1bj9 s ALA 8 Cb -0.12 -3.56 0.07 0.00 0.00 0.00 0.00 23.12 19.51 1bj9 s ALA 8 CO 0.03 -0.67 -0.02 0.45 0.00 0.00 0.00 175.76 175.56 1bj9 s SER 9 N 1.21 3.83 0.24 0.00 0.15 0.17 -4.72 113.70 114.57 1bj9 s SER 9 Ca 0.65 -1.27 -0.31 0.00 0.70 0.00 0.00 55.95 55.73 1bj9 s SER 9 Cb -0.37 -1.10 -0.14 0.00 -1.71 0.00 0.00 66.02 62.70 1bj9 s SER 9 CO 0.30 -0.28 1.30 0.52 1.20 0.00 0.00 173.24 176.28 1bj9 n VAL 10 N 4.71 1.15 -1.68 4.45 0.31 -1.26 -4.30 118.33 121.71 1bj9 n VAL 10 Ca -0.09 -0.29 -0.46 0.00 -0.01 0.00 0.00 64.34 63.49 1bj9 n VAL 10 Cb 0.44 -1.28 -0.04 0.00 -0.91 0.00 0.00 33.84 32.04 1bj9 n VAL 10 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1bj9 n GLU 11 N 1.68 2.26 -1.45 5.55 4.71 -1.26 -4.71 120.64 127.43 1bj9 n GLU 11 Ca 0.11 0.82 -0.59 0.00 -0.01 0.00 0.00 57.16 57.49 1bj9 n GLU 11 Cb 0.30 -2.64 -0.10 0.00 -1.01 0.00 0.00 31.44 28.00 1bj9 n GLU 11 CO 0.00 0.00 0.00 1.17 0.09 0.00 0.00 177.13 178.39 1bj9 n LYS 12 N 4.86 0.39 -1.05 3.49 3.00 -1.26 -1.57 118.16 126.02 1bj9 n LYS 12 Ca 0.19 0.12 -0.02 0.00 -0.00 0.00 0.00 58.31 58.60 1bj9 n LYS 12 Cb 0.30 -1.79 -0.01 0.00 0.00 0.00 0.00 35.03 33.54 1bj9 n LYS 12 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1bj9 n GLY 13 N 6.19 0.48 3.88 3.14 0.00 -1.26 -5.02 105.19 112.59 1bj9 n GLY 13 Ca 0.44 -0.18 -0.32 0.00 0.00 0.00 0.00 46.02 45.96 1bj9 n GLY 13 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1bj9 s ARG 14 N -1.16 3.70 0.42 1.61 1.81 -0.61 -5.09 118.95 119.64 1bj9 s ARG 14 Ca 0.00 0.08 0.03 0.00 -1.72 0.00 0.00 55.73 54.12 1bj9 s ARG 14 Cb 0.00 -2.82 -0.01 0.00 -0.45 0.00 0.00 34.95 31.67 1bj9 s ARG 14 CO 0.00 0.44 0.12 -1.13 -0.68 0.00 0.00 175.30 174.06 1bj9 n SER 15 N 0.20 1.55 -0.20 0.23 3.41 -1.26 -4.89 113.62 112.65 1bj9 n SER 15 Ca -0.03 -3.17 -0.04 0.00 -0.26 0.00 0.00 58.87 55.37 1bj9 n SER 15 Cb 0.52 0.93 0.02 0.00 -0.26 0.00 0.00 64.21 65.42 1bj9 n SER 15 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 175.04 175.10 1bj9 h TYR 16 N 1.61 -0.78 -0.97 7.33 3.20 -1.99 0.25 116.97 125.62 1bj9 h TYR 16 Ca -0.33 0.07 0.23 0.00 3.14 0.00 0.00 58.73 61.83 1bj9 h TYR 16 Cb 1.22 0.43 -0.08 0.00 1.54 0.00 0.00 36.73 39.84 1bj9 h TYR 16 CO 0.00 -0.36 0.63 0.93 -1.64 0.00 0.00 178.16 177.72 1bj9 h GLU 17 N -0.13 0.44 -0.50 1.82 4.39 -1.98 0.92 114.58 119.53 1bj9 h GLU 17 Ca 0.25 -0.03 -0.10 0.00 0.34 0.00 0.00 59.36 59.82 1bj9 h GLU 17 Cb 0.54 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 29.07 1bj9 h GLU 17 CO -0.67 0.29 -0.09 -0.44 -1.16 0.00 0.00 179.01 176.94 1bj9 h ASP 18 N 0.45 0.94 -0.35 1.42 3.32 -0.91 -2.92 116.42 118.38 1bj9 h ASP 18 Ca 0.53 -0.35 -0.09 0.00 0.02 0.00 0.00 57.03 57.15 1bj9 h ASP 18 Cb 1.27 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 40.55 1bj9 h ASP 18 CO -0.25 1.07 -0.13 -0.26 -1.72 0.00 0.00 179.24 177.95 1bj9 h PHE 19 N 0.79 0.80 -0.82 4.55 0.04 0.14 -3.03 116.94 119.41 1bj9 h PHE 19 Ca 0.13 -0.19 0.21 0.00 2.80 0.00 0.00 57.97 60.92 1bj9 h PHE 19 Cb 0.64 -0.19 -0.05 0.00 2.20 0.00 0.00 35.95 38.55 1bj9 h PHE 19 CO 0.05 0.89 0.57 0.37 -0.60 0.00 0.00 178.31 179.58 1bj9 h GLN 20 N 0.48 0.21 -0.31 1.51 5.75 -0.35 0.12 115.11 122.52 1bj9 h GLN 20 Ca 0.08 -0.01 -0.17 0.00 -0.15 0.00 0.00 58.65 58.40 1bj9 h GLN 20 Cb 0.66 -0.05 -0.00 0.00 1.07 0.00 0.00 27.48 29.16 1bj9 h GLN 20 CO 0.04 0.14 -0.45 0.87 -2.65 0.00 0.00 178.83 176.78 1bj9 h LYS 21 N 0.22 0.86 -0.51 1.69 1.57 -1.39 -0.56 116.57 118.45 1bj9 h LYS 21 Ca 0.41 -0.51 -0.08 0.00 -1.87 0.00 0.00 60.65 58.60 1bj9 h LYS 21 Cb 1.27 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 33.60 1bj9 h LYS 21 CO -0.09 1.14 0.00 0.28 -0.57 0.00 0.00 179.45 180.21 1bj9 h VAL 22 N 0.64 1.26 -0.03 0.50 2.07 -0.98 -1.46 116.25 118.26 1bj9 h VAL 22 Ca 0.03 -1.08 0.02 0.00 0.82 0.00 0.00 66.70 66.49 1bj9 h VAL 22 Cb 1.05 0.96 -0.03 0.00 -1.52 0.00 0.00 31.29 31.75 1bj9 h VAL 22 CO 0.10 0.38 -0.11 0.22 0.02 0.00 0.00 177.57 178.18 1bj9 h TYR 23 N 0.76 -0.28 -0.92 1.57 5.03 -1.20 -1.39 116.97 120.54 1bj9 h TYR 23 Ca 0.14 0.01 0.07 0.00 2.58 0.00 0.00 58.73 61.53 1bj9 h TYR 23 Cb 0.52 0.13 -0.06 0.00 1.55 0.00 0.00 36.73 38.87 1bj9 h TYR 23 CO 0.04 -0.17 0.60 -0.91 -1.32 0.00 0.00 178.16 176.40 1bj9 h ASN 24 N -0.17 0.91 -0.29 -2.11 -0.26 -0.91 0.73 115.58 113.48 1bj9 h ASN 24 Ca 0.05 0.01 -0.13 0.00 -0.56 0.00 0.00 56.30 55.67 1bj9 h ASN 24 Cb 0.24 -0.19 -0.01 0.00 -1.06 0.00 0.00 38.32 37.31 1bj9 h ASN 24 CO -0.14 0.58 -0.28 0.00 -1.06 0.00 0.00 177.43 176.54 1bj9 h ALA 25 N 1.51 0.80 -0.27 -0.83 0.00 -0.68 0.75 119.26 120.53 1bj9 h ALA 25 Ca 0.40 -0.40 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 1bj9 h ALA 25 Cb 0.22 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1bj9 h ALA 25 CO -0.16 0.65 -0.18 0.82 0.00 0.00 0.00 179.25 180.39 1bj9 h ILE 26 N 0.68 1.30 -0.74 0.00 2.04 -0.59 -2.02 117.51 118.20 1bj9 h ILE 26 Ca 0.08 -1.30 0.00 0.00 1.00 0.00 0.00 64.86 64.64 1bj9 h ILE 26 Cb 0.81 1.56 -0.04 0.00 -0.74 0.00 0.00 36.82 38.41 1bj9 h ILE 26 CO 0.07 0.41 0.47 0.00 0.00 0.00 0.00 178.15 179.10 1bj9 h ALA 27 N 0.72 0.94 -0.15 1.87 0.00 -0.73 0.01 119.26 121.92 1bj9 h ALA 27 Ca 0.05 -0.07 -0.10 0.00 0.00 0.00 0.00 54.91 54.80 1bj9 h ALA 27 Cb 0.71 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1bj9 h ALA 27 CO 0.05 0.38 -0.33 -0.07 0.00 0.00 0.00 179.25 179.28 1bj9 h LEU 28 N 1.00 0.31 -0.59 0.00 3.38 -0.80 -2.08 115.31 116.53 1bj9 h LEU 28 Ca 0.27 -0.11 -0.15 0.00 0.09 0.00 0.00 57.88 57.97 1bj9 h LEU 28 Cb -0.07 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 1bj9 h LEU 28 CO -0.05 0.63 -0.54 0.50 0.09 0.00 0.00 178.44 179.07 1bj9 h LYS 29 N 0.26 0.46 -0.84 1.13 3.64 -0.64 -2.22 116.57 118.37 1bj9 h LYS 29 Ca 0.03 -0.28 -0.03 0.00 -1.27 0.00 0.00 60.65 59.10 1bj9 h LYS 29 Cb 0.72 0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 32.53 1bj9 h LYS 29 CO 0.05 0.88 0.40 -0.07 -2.27 0.00 0.00 179.45 178.45 1bj9 h LEU 30 N 0.35 1.09 -0.66 5.20 3.38 -0.59 0.08 115.31 124.17 1bj9 h LEU 30 Ca 0.01 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 57.83 1bj9 h LEU 30 Cb 1.06 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.50 1bj9 h LEU 30 CO 0.10 0.91 0.32 -0.09 0.09 0.00 0.00 178.44 179.77 1bj9 h ARG 31 N 1.19 0.95 -0.11 1.13 2.43 -1.23 -3.26 114.38 115.48 1bj9 h ARG 31 Ca 0.29 -0.14 -0.14 0.00 -0.81 0.00 0.00 59.98 59.18 1bj9 h ARG 31 Cb 0.11 -0.17 0.01 0.00 -0.42 0.00 0.00 29.97 29.50 1bj9 h ARG 31 CO -0.04 0.75 -0.46 1.49 -1.51 0.00 0.00 179.97 180.21 1bj9 h GLU 32 N 0.91 0.51 -2.44 0.20 4.81 -0.98 -3.36 114.58 114.23 1bj9 h GLU 32 Ca 0.23 -0.40 -0.71 0.00 -0.13 0.00 0.00 59.36 58.35 1bj9 h GLU 32 Cb 0.12 0.08 -0.16 0.00 0.63 0.00 0.00 28.75 29.42 1bj9 h GLU 32 CO -0.03 1.02 1.84 -0.25 -0.73 0.00 0.00 179.01 180.87 1bj9 n ASP 33 N -4.26 7.68 0.01 1.04 9.92 -0.02 -4.73 116.55 126.17 1bj9 n ASP 33 Ca -0.08 -3.25 0.12 0.00 -0.53 0.00 0.00 54.79 51.05 1bj9 n ASP 33 Cb 0.57 -1.30 0.52 0.00 -0.64 0.00 0.00 41.12 40.27 1bj9 n ASP 33 CO 0.00 0.00 0.00 -0.90 0.13 0.00 0.00 177.20 176.43 1bj9 n ASP 34 N 1.26 0.04 0.20 -2.24 5.75 -1.26 -3.89 116.55 116.42 1bj9 n ASP 34 Ca 0.58 0.51 0.08 0.00 -0.01 0.00 0.00 54.79 55.95 1bj9 n ASP 34 Cb 0.30 -0.52 0.34 0.00 -1.03 0.00 0.00 41.12 40.21 1bj9 n ASP 34 CO 0.00 0.00 0.00 -0.33 -0.11 0.00 0.00 177.20 176.76 1bj9 h GLU 35 N 0.00 0.00 -6.10 0.11 5.08 -1.91 -3.34 114.58 108.42 1bj9 h GLU 35 Ca 0.00 0.00 -0.70 0.00 -1.00 0.00 0.00 59.36 57.66 1bj9 h GLU 35 Cb 0.43 0.00 0.08 0.00 0.50 0.00 0.00 28.75 29.76 1bj9 h GLU 35 CO 0.00 0.27 -0.09 0.98 -1.00 0.00 0.00 179.01 179.17 1bj9 n TYR 36 N -3.33 0.43 -3.66 4.33 9.36 -1.25 -0.50 117.16 122.54 1bj9 n TYR 36 Ca 0.01 0.92 -0.30 0.00 3.32 0.00 0.00 57.90 61.84 1bj9 n TYR 36 Cb 0.51 -2.10 0.04 0.00 -0.63 0.00 0.00 39.34 37.16 1bj9 n TYR 36 CO 0.00 0.00 0.00 -3.47 0.22 0.00 0.00 176.86 173.61 1bj9 n ASP 37 N 1.81 -5.43 -3.79 2.98 2.03 -1.26 -0.32 116.55 112.56 1bj9 n ASP 37 Ca 0.18 -0.98 -0.25 0.00 0.52 0.00 0.00 54.79 54.26 1bj9 n ASP 37 Cb 0.19 -3.38 0.03 0.00 -0.72 0.00 0.00 41.12 37.24 1bj9 n ASP 37 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 1bj9 n ASN 38 N -2.63 -2.47 -0.65 1.67 0.23 -1.12 -2.27 115.26 108.01 1bj9 n ASN 38 Ca -0.10 -0.81 -0.08 0.00 -0.53 0.00 0.00 54.58 53.06 1bj9 n ASN 38 Cb 0.59 -3.96 -0.04 0.00 -2.08 0.00 0.00 39.78 34.30 1bj9 n ASN 38 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1bj9 n TYR 39 N -4.44 0.00 0.08 -2.53 -0.00 0.35 -4.89 117.16 105.74 1bj9 n TYR 39 Ca -0.18 0.00 -0.17 0.00 -0.00 0.00 0.00 57.90 57.55 1bj9 n TYR 39 Cb 0.62 -1.74 -0.14 0.00 -0.00 0.00 0.00 39.34 38.08 1bj9 n TYR 39 CO 0.00 0.00 0.00 0.82 -0.00 0.00 0.00 176.86 177.68 1bj9 h ILE 40 N 0.00 1.26 0.00 -3.48 2.04 -0.23 -3.47 117.51 113.63 1bj9 h ILE 40 Ca -0.17 -2.86 0.00 0.00 1.00 0.00 0.00 64.86 62.82 1bj9 h ILE 40 Cb 0.59 2.84 0.00 0.00 -0.74 0.00 0.00 36.82 39.51 1bj9 h ILE 40 CO 0.25 0.84 0.00 0.61 0.00 0.00 0.00 178.15 179.86 1bj9 n GLY 41 N 1.63 0.69 0.20 5.37 0.00 -0.28 -4.68 105.19 108.12 1bj9 n GLY 41 Ca -0.14 -1.94 0.14 0.00 0.00 0.00 0.00 46.02 44.08 1bj9 n GLY 41 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1bj9 n TYR 42 N 1.04 0.00 -0.18 1.61 4.01 -1.26 -4.37 117.16 118.00 1bj9 n TYR 42 Ca 0.00 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.61 1bj9 n TYR 42 Cb 0.00 -0.12 -0.10 0.00 -0.31 0.00 0.00 39.34 38.81 1bj9 n TYR 42 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1bj9 h GLY 43 N 4.94 -1.00 0.69 2.72 0.00 -1.94 -1.92 103.07 106.57 1bj9 h GLY 43 Ca 0.00 0.74 0.04 0.00 0.00 0.00 0.00 47.33 48.11 1bj9 h GLY 43 CO 0.00 -0.10 0.13 -2.55 0.00 0.00 0.00 176.54 174.02 1bj9 h PRO 44 N -0.33 0.27 -0.08 4.80 0.11 -1.90 -1.93 132.00 132.94 1bj9 h PRO 44 Ca 0.09 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 66.16 1bj9 h PRO 44 Cb 0.56 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 31.60 1bj9 h PRO 44 CO -0.65 0.18 -0.03 -0.24 -0.21 0.00 0.00 178.00 177.06 1bj9 h VAL 45 N 0.28 1.08 -0.21 3.15 3.04 -1.74 -1.33 116.25 120.51 1bj9 h VAL 45 Ca 0.16 -0.30 -0.18 0.00 -1.01 0.00 0.00 66.70 65.37 1bj9 h VAL 45 Cb 0.14 1.04 -0.00 0.00 -2.01 0.00 0.00 31.29 30.46 1bj9 h VAL 45 CO -0.17 0.10 -0.60 -0.07 -1.01 0.00 0.00 177.57 175.82 1bj9 h LEU 46 N 0.12 0.79 -0.45 3.16 3.38 -0.81 -0.25 115.31 121.25 1bj9 h LEU 46 Ca 0.03 -0.45 -0.02 0.00 0.09 0.00 0.00 57.88 57.53 1bj9 h LEU 46 Cb 0.13 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 1bj9 h LEU 46 CO 0.00 1.21 0.19 0.58 0.09 0.00 0.00 178.44 180.51 1bj9 h VAL 47 N 0.52 1.20 -0.61 1.22 2.07 -0.57 -1.99 116.25 118.08 1bj9 h VAL 47 Ca -0.00 -0.61 -0.03 0.00 0.82 0.00 0.00 66.70 66.88 1bj9 h VAL 47 Cb 1.19 0.76 -0.03 0.00 -1.52 0.00 0.00 31.29 31.69 1bj9 h VAL 47 CO 0.12 0.23 0.24 -0.09 0.02 0.00 0.00 177.57 178.09 1bj9 h ARG 48 N 0.59 0.89 -0.51 1.57 2.43 -1.09 -1.40 114.38 116.86 1bj9 h ARG 48 Ca 0.15 -0.14 -0.03 0.00 -0.81 0.00 0.00 59.98 59.15 1bj9 h ARG 48 Cb 0.18 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 29.55 1bj9 h ARG 48 CO -0.01 0.73 0.19 1.25 -1.51 0.00 0.00 179.97 180.61 1bj9 h LEU 49 N 0.88 0.72 -1.28 3.80 5.85 -0.67 0.11 115.31 124.72 1bj9 h LEU 49 Ca 0.21 -0.18 -0.04 0.00 0.84 0.00 0.00 57.88 58.71 1bj9 h LEU 49 Cb 0.17 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.00 1bj9 h LEU 49 CO -0.02 0.71 0.07 0.00 -0.34 0.00 0.00 178.44 178.86 1bj9 h ALA 50 N 1.04 1.42 -0.27 1.25 0.00 -0.86 -1.22 119.26 120.62 1bj9 h ALA 50 Ca 0.17 -0.17 -0.19 0.00 0.00 0.00 0.00 54.91 54.72 1bj9 h ALA 50 Cb 0.22 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1bj9 h ALA 50 CO -0.01 0.42 -0.56 2.35 0.00 0.00 0.00 179.25 181.45 1bj9 h TRP 51 N 0.55 1.09 -0.26 0.00 2.91 -0.87 -2.97 115.95 116.40 1bj9 h TRP 51 Ca 0.13 -0.40 -0.11 0.00 1.13 0.00 0.00 58.89 59.64 1bj9 h TRP 51 Cb 0.24 -0.20 -0.01 0.00 -0.51 0.00 0.00 29.16 28.68 1bj9 h TRP 51 CO 0.01 1.23 -0.28 0.45 -1.03 0.00 0.00 178.44 178.82 1bj9 h HIS 52 N 0.64 0.60 0.00 2.65 3.86 -0.25 0.12 115.15 122.76 1bj9 h HIS 52 Ca 0.01 -0.14 0.00 0.00 -1.16 0.00 0.00 60.37 59.08 1bj9 h HIS 52 Cb 1.17 -0.14 0.00 0.00 1.06 0.00 0.00 27.41 29.50 1bj9 h HIS 52 CO 0.08 0.76 0.00 -0.84 0.86 0.00 0.00 177.93 178.78 1bj9 h ILE 53 N 0.46 0.00 0.00 2.45 3.07 -1.28 -3.21 117.51 119.00 1bj9 h ILE 53 Ca 0.06 -0.63 -0.10 0.00 1.55 0.00 0.00 64.86 65.74 1bj9 h ILE 53 Cb 0.73 1.60 -0.02 0.00 -0.27 0.00 0.00 36.82 38.86 1bj9 h ILE 53 CO 0.06 0.00 -1.58 -1.20 -1.05 0.00 0.00 178.15 174.38 1bj9 n SER 54 N -2.64 0.52 -0.03 2.16 7.64 -0.92 -3.27 113.62 117.08 1bj9 n SER 54 Ca 0.04 0.22 0.05 0.00 1.01 0.00 0.00 58.87 60.18 1bj9 n SER 54 Cb 0.43 0.84 0.26 0.00 -1.01 0.00 0.00 64.21 64.73 1bj9 n SER 54 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1bj9 n GLY 55 N 1.34 -0.93 0.46 0.23 0.00 0.36 -3.15 105.19 103.50 1bj9 n GLY 55 Ca -0.08 -0.07 0.13 0.00 0.00 0.00 0.00 46.02 46.00 1bj9 n GLY 55 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1bj9 n THR 56 N -0.58 0.00 -1.90 2.61 -2.24 -1.26 -4.59 114.28 106.32 1bj9 n THR 56 Ca 0.07 -0.24 -0.38 0.00 -2.27 0.00 0.00 64.05 61.23 1bj9 n THR 56 Cb 0.04 0.61 0.03 0.00 -2.10 0.00 0.00 70.33 68.91 1bj9 n THR 56 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 1bj9 s TRP 57 N -2.18 2.41 -0.29 4.78 -0.00 -1.19 -4.21 118.94 118.26 1bj9 s TRP 57 Ca 0.32 1.42 -0.01 0.00 -0.00 0.00 0.00 56.10 57.83 1bj9 s TRP 57 Cb 0.20 -3.68 0.09 0.00 -0.00 0.00 0.00 33.47 30.08 1bj9 s TRP 57 CO 0.40 -2.56 0.07 0.34 -0.00 0.00 0.00 176.95 175.21 1bj9 s ASP 58 N -1.10 3.86 0.32 5.86 -1.08 -0.45 -4.64 116.67 119.43 1bj9 s ASP 58 Ca 0.71 -1.48 0.19 0.00 -0.52 0.00 0.00 52.55 51.44 1bj9 s ASP 58 Cb -0.37 -0.88 1.01 0.00 -1.46 0.00 0.00 42.92 41.22 1bj9 s ASP 58 CO 0.44 -0.38 1.53 2.29 0.52 0.00 0.00 175.17 179.57 1bj9 n LYS 59 N 4.84 0.12 0.03 4.34 2.85 -0.70 0.27 118.16 129.92 1bj9 n LYS 59 Ca -0.04 0.61 -0.19 0.00 -1.05 0.00 0.00 58.31 57.64 1bj9 n LYS 59 Cb 0.43 -2.00 -0.12 0.00 -0.65 0.00 0.00 35.03 32.69 1bj9 n LYS 59 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 1bj9 h HIS 60 N 0.00 0.77 -0.01 5.58 3.86 -1.94 -3.38 115.15 120.03 1bj9 h HIS 60 Ca 0.00 -0.45 0.00 0.00 -1.16 0.00 0.00 60.37 58.76 1bj9 h HIS 60 Cb 0.20 -0.08 0.00 0.00 1.06 0.00 0.00 27.41 28.60 1bj9 h HIS 60 CO 0.00 1.28 0.00 -0.40 0.86 0.00 0.00 177.93 179.67 1bj9 n ASP 61 N -4.05 1.45 -1.13 2.45 5.68 -0.89 -5.01 116.55 115.05 1bj9 n ASP 61 Ca -0.12 -1.40 -0.13 0.00 -0.50 0.00 0.00 54.79 52.64 1bj9 n ASP 61 Cb 0.79 -0.01 -0.05 0.00 -1.14 0.00 0.00 41.12 40.72 1bj9 n ASP 61 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 1bj9 n ASN 62 N -0.12 -4.54 -4.90 -1.12 5.15 0.14 -4.58 115.26 105.28 1bj9 n ASN 62 Ca 0.01 0.27 -0.28 0.00 -0.60 0.00 0.00 54.58 53.97 1bj9 n ASN 62 Cb 0.11 -3.33 -0.03 0.00 -0.53 0.00 0.00 39.78 36.01 1bj9 n ASN 62 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 1bj9 s THR 63 N -2.53 5.00 0.00 -0.44 -4.23 -1.23 -4.87 115.64 107.34 1bj9 s THR 63 Ca 0.00 0.08 0.00 0.00 -1.18 0.00 0.00 61.69 60.59 1bj9 s THR 63 Cb 0.00 -3.75 0.00 0.00 1.34 0.00 0.00 72.50 70.09 1bj9 s THR 63 CO 0.00 -0.39 0.00 0.61 -0.54 0.00 0.00 174.62 174.30 1bj9 n GLY 64 N -1.12 -1.74 0.00 3.99 0.00 -1.26 -1.34 105.19 103.72 1bj9 n GLY 64 Ca -0.01 -1.34 0.00 0.00 0.00 0.00 0.00 46.02 44.67 1bj9 n GLY 64 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bj9 n GLY 65 N 0.00 0.06 0.22 -0.02 0.00 -1.26 -4.63 105.19 99.56 1bj9 n GLY 65 Ca 0.00 -1.92 0.10 0.00 0.00 0.00 0.00 46.02 44.20 1bj9 n GLY 65 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1bj9 h SER 66 N 0.00 0.00 -1.00 1.61 4.64 -1.78 -3.40 113.55 113.62 1bj9 h SER 66 Ca 0.00 0.00 0.11 0.00 -0.47 0.00 0.00 61.79 61.43 1bj9 h SER 66 Cb 0.00 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 61.96 1bj9 h SER 66 CO 0.00 0.18 -0.53 0.22 -0.87 0.00 0.00 176.83 175.83 1bj9 h TYR 67 N 0.00 -1.68 0.00 4.77 5.03 -1.86 -3.00 116.97 120.23 1bj9 h TYR 67 Ca -0.00 0.12 0.00 0.00 2.58 0.00 0.00 58.73 61.43 1bj9 h TYR 67 Cb 0.88 0.87 0.00 0.00 1.55 0.00 0.00 36.73 40.03 1bj9 h TYR 67 CO 0.00 -0.38 0.00 0.41 -1.32 0.00 0.00 178.16 176.87 1bj9 n GLY 68 N -1.31 -1.13 2.53 1.82 0.00 -1.25 -2.35 105.19 103.50 1bj9 n GLY 68 Ca 0.04 -0.11 -0.21 0.00 0.00 0.00 0.00 46.02 45.75 1bj9 n GLY 68 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bj9 n GLY 69 N 0.80 1.17 0.33 -0.02 0.00 -1.13 -1.95 105.19 104.38 1bj9 n GLY 69 Ca 0.10 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.30 1bj9 n GLY 69 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1bj9 h THR 70 N 0.00 0.00 -0.44 2.61 1.35 -1.87 -2.48 112.91 112.07 1bj9 h THR 70 Ca -0.45 0.00 0.13 0.00 -0.55 0.00 0.00 66.41 65.54 1bj9 h THR 70 Cb 1.36 0.74 -0.02 0.00 -1.73 0.00 0.00 68.15 68.50 1bj9 h THR 70 CO 0.61 0.00 0.42 0.22 -0.25 0.00 0.00 175.52 176.51 1bj9 h TYR 71 N 0.00 0.00 0.00 4.73 3.20 -1.94 0.42 116.97 123.38 1bj9 h TYR 71 Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1bj9 h TYR 71 Cb 0.46 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.73 1bj9 h TYR 71 CO 0.00 0.00 0.00 0.07 -1.64 0.00 0.00 178.16 176.59 1bj9 h ARG 72 N 0.00 0.00 -6.38 1.82 0.11 -1.83 -3.19 114.38 104.91 1bj9 h ARG 72 Ca 0.21 0.00 -0.55 0.00 0.10 0.00 0.00 59.98 59.74 1bj9 h ARG 72 Cb 1.04 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 32.08 1bj9 h ARG 72 CO -0.00 0.00 -0.06 -0.06 0.10 0.00 0.00 179.97 179.94 1bj9 s PHE 73 N -3.64 3.57 0.18 4.08 0.08 0.14 -4.91 117.98 117.48 1bj9 s PHE 73 Ca -0.01 1.07 -0.20 0.00 0.12 0.00 0.00 56.93 57.91 1bj9 s PHE 73 Cb 0.09 -2.38 0.13 0.00 -0.57 0.00 0.00 43.02 40.28 1bj9 s PHE 73 CO 0.33 0.38 1.60 1.57 -0.10 0.00 0.00 175.22 179.00 1bj9 h LYS 74 N 3.33 -0.15 -0.67 0.44 2.10 -1.87 0.30 116.57 120.04 1bj9 h LYS 74 Ca -0.48 0.01 0.10 0.00 -2.00 0.00 0.00 60.65 58.28 1bj9 h LYS 74 Cb 1.19 0.03 -0.12 0.00 -0.90 0.00 0.00 32.23 32.44 1bj9 h LYS 74 CO 0.66 -0.10 -0.43 -0.22 -2.00 0.00 0.00 179.45 177.36 1bj9 h LYS 75 N -0.16 -0.16 -0.13 0.07 3.64 -1.94 0.45 116.57 118.33 1bj9 h LYS 75 Ca 0.23 0.01 -0.11 0.00 -1.27 0.00 0.00 60.65 59.50 1bj9 h LYS 75 Cb 0.53 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.39 1bj9 h LYS 75 CO -0.62 -0.11 -0.36 1.49 -2.27 0.00 0.00 179.45 177.58 1bj9 h GLU 76 N -0.17 0.48 -0.86 1.90 4.81 -1.72 -3.06 114.58 115.96 1bj9 h GLU 76 Ca 0.21 -0.34 0.08 0.00 -0.13 0.00 0.00 59.36 59.18 1bj9 h GLU 76 Cb 0.56 0.05 -0.06 0.00 0.63 0.00 0.00 28.75 29.93 1bj9 h GLU 76 CO -0.75 0.95 0.56 0.35 -0.73 0.00 0.00 179.01 179.39 1bj9 h PHE 77 N 0.09 0.95 -0.10 0.92 3.57 0.23 -1.64 116.94 120.96 1bj9 h PHE 77 Ca -0.01 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.52 1bj9 h PHE 77 Cb 0.97 -0.31 0.00 0.00 2.79 0.00 0.00 35.95 39.40 1bj9 h PHE 77 CO 0.10 0.48 0.00 0.09 -2.23 0.00 0.00 178.31 176.75 1bj9 n ASN 78 N -4.50 1.14 -4.73 0.41 3.02 0.15 -4.85 115.26 105.91 1bj9 n ASN 78 Ca 0.13 -1.58 -0.42 0.00 -0.03 0.00 0.00 54.58 52.68 1bj9 n ASN 78 Cb 0.24 -0.06 -0.03 0.00 -0.61 0.00 0.00 39.78 39.32 1bj9 n ASN 78 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1bj9 s ASP 79 N -1.63 6.37 0.28 6.41 2.15 -0.62 -4.85 116.67 124.78 1bj9 s ASP 79 Ca 0.32 2.89 0.01 0.00 0.43 0.00 0.00 52.55 56.21 1bj9 s ASP 79 Cb 0.17 -2.61 0.55 0.00 -0.30 0.00 0.00 42.92 40.73 1bj9 s ASP 79 CO 0.26 -0.97 1.85 -0.65 -0.17 0.00 0.00 175.17 175.49 1bj9 h PRO 80 N 6.46 0.98 0.00 4.34 0.11 -1.90 0.78 132.00 142.77 1bj9 h PRO 80 Ca -0.44 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1bj9 h PRO 80 Cb 1.20 -0.22 0.00 0.00 0.11 0.00 0.00 31.00 32.09 1bj9 h PRO 80 CO 0.93 0.65 0.00 0.43 -0.21 0.00 0.00 178.00 179.80 1bj9 n SER 81 N -4.60 0.47 -0.76 -2.05 7.64 -1.26 -1.95 113.62 111.12 1bj9 n SER 81 Ca 0.18 0.65 0.12 0.00 1.01 0.00 0.00 58.87 60.83 1bj9 n SER 81 Cb 0.33 -0.73 0.31 0.00 -1.01 0.00 0.00 64.21 63.11 1bj9 n SER 81 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1bj9 n ASN 82 N -2.05 2.32 -4.55 6.43 3.02 0.27 -4.98 115.26 115.71 1bj9 n ASN 82 Ca 0.01 -1.78 -0.53 0.00 -0.03 0.00 0.00 54.58 52.25 1bj9 n ASN 82 Cb 0.15 -0.07 -0.06 0.00 -0.61 0.00 0.00 39.78 39.19 1bj9 n ASN 82 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1bj9 n ALA 83 N 0.78 -1.82 0.00 5.41 0.00 -0.82 -1.19 120.51 122.88 1bj9 n ALA 83 Ca 0.17 0.53 0.00 0.00 0.00 0.00 0.00 53.44 54.14 1bj9 n ALA 83 Cb 0.46 -1.95 0.00 0.00 0.00 0.00 0.00 19.45 17.96 1bj9 n ALA 83 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1bj9 n GLY 84 N 2.10 3.08 0.29 0.00 0.00 -1.26 -4.87 105.19 104.53 1bj9 n GLY 84 Ca 0.18 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.38 1bj9 n GLY 84 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1bj9 h LEU 85 N 0.00 0.00 -2.05 0.99 3.38 -1.54 -2.69 115.31 113.40 1bj9 h LEU 85 Ca 0.00 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.02 1bj9 h LEU 85 Cb 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1bj9 h LEU 85 CO 0.00 0.04 0.13 0.06 0.09 0.00 0.00 178.44 178.77 1bj9 h GLN 86 N 0.00 0.00 -0.05 1.13 -0.00 -1.90 0.42 115.11 114.71 1bj9 h GLN 86 Ca -0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 58.65 58.54 1bj9 h GLN 86 Cb 0.31 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 27.78 1bj9 h GLN 86 CO 0.01 0.00 -0.48 -0.91 -0.00 0.00 0.00 178.83 177.44 1bj9 h ASN 87 N 0.00 0.14 0.52 0.06 2.35 -1.88 -0.72 115.58 116.05 1bj9 h ASN 87 Ca 0.08 -0.07 -0.16 0.00 -0.55 0.00 0.00 56.30 55.60 1bj9 h ASN 87 Cb 0.35 -0.04 -0.01 0.00 0.05 0.00 0.00 38.32 38.67 1bj9 h ASN 87 CO -0.00 0.61 -0.72 1.23 -1.65 0.00 0.00 177.43 176.89 1bj9 h GLY 88 N 1.39 0.18 0.68 2.83 0.00 -0.39 -2.19 103.07 105.57 1bj9 h GLY 88 Ca 0.00 -0.27 -0.00 0.00 0.00 0.00 0.00 47.33 47.06 1bj9 h GLY 88 CO 0.07 0.24 -0.01 -2.75 0.00 0.00 0.00 176.54 174.09 1bj9 h PHE 89 N 0.11 -0.04 -0.86 5.60 3.57 -0.96 -2.32 116.94 122.04 1bj9 h PHE 89 Ca -0.02 -0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.58 1bj9 h PHE 89 Cb 1.28 0.01 -0.06 0.00 2.79 0.00 0.00 35.95 39.97 1bj9 h PHE 89 CO 0.02 0.28 0.56 0.87 -2.23 0.00 0.00 178.31 177.81 1bj9 h LYS 90 N -0.36 0.78 -0.86 1.11 6.56 -1.12 -0.48 116.57 122.21 1bj9 h LYS 90 Ca -0.00 -0.05 -0.03 0.00 -1.06 0.00 0.00 60.65 59.51 1bj9 h LYS 90 Cb 0.33 -0.18 -0.04 0.00 -0.57 0.00 0.00 32.23 31.78 1bj9 h LYS 90 CO 0.01 0.52 0.42 0.35 -2.06 0.00 0.00 179.45 178.69 1bj9 h PHE 91 N 0.81 1.22 0.00 -1.35 3.04 -1.03 -3.03 116.94 116.59 1bj9 h PHE 91 Ca 0.41 -0.05 0.00 0.00 3.98 0.00 0.00 57.97 62.30 1bj9 h PHE 91 Cb 0.47 -0.38 0.00 0.00 2.56 0.00 0.00 35.95 38.60 1bj9 h PHE 91 CO -0.00 0.87 0.00 -0.07 -2.02 0.00 0.00 178.31 177.09 1bj9 h LEU 92 N 1.21 0.00 -0.67 0.59 3.38 -0.60 -3.39 115.31 115.84 1bj9 h LEU 92 Ca 0.30 0.00 0.12 0.00 0.09 0.00 0.00 57.88 58.38 1bj9 h LEU 92 Cb 0.10 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 40.73 1bj9 h LEU 92 CO -0.04 0.00 -0.31 -0.08 0.09 0.00 0.00 178.44 178.10 1bj9 h GLU 93 N 0.00 -0.11 -0.02 1.13 4.81 -1.13 0.14 114.58 119.40 1bj9 h GLU 93 Ca 0.00 0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 59.17 1bj9 h GLU 93 Cb 0.97 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.37 1bj9 h GLU 93 CO 0.00 -0.07 -0.29 -1.00 -0.73 0.00 0.00 179.01 176.92 1bj9 h PRO 94 N -0.11 0.04 -0.57 0.92 0.13 -1.77 -1.74 132.00 128.90 1bj9 h PRO 94 Ca 0.27 -0.01 -0.08 0.00 -0.87 0.00 0.00 66.00 65.31 1bj9 h PRO 94 Cb 0.56 -0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.66 1bj9 h PRO 94 CO -0.73 0.33 0.05 0.82 -0.23 0.00 0.00 178.00 178.23 1bj9 h ILE 95 N 0.04 1.26 -0.80 -3.56 2.04 -1.02 -1.62 117.51 113.84 1bj9 h ILE 95 Ca 0.00 -1.05 -0.04 0.00 1.00 0.00 0.00 64.86 64.77 1bj9 h ILE 95 Cb 0.53 0.82 -0.04 0.00 -0.74 0.00 0.00 36.82 37.40 1bj9 h ILE 95 CO 0.04 0.38 0.33 -0.74 0.00 0.00 0.00 178.15 178.16 1bj9 h HIS 96 N 0.87 1.20 -0.94 1.37 2.76 -0.57 0.12 115.15 119.96 1bj9 h HIS 96 Ca 0.17 -0.08 0.04 0.00 -2.20 0.00 0.00 60.37 58.29 1bj9 h HIS 96 Cb 0.48 -0.36 -0.06 0.00 1.55 0.00 0.00 27.41 29.02 1bj9 h HIS 96 CO 0.04 0.90 0.61 0.87 -1.30 0.00 0.00 177.93 179.05 1bj9 h LYS 97 N 1.16 1.13 -0.00 5.26 6.56 -0.94 0.92 116.57 130.66 1bj9 h LYS 97 Ca 0.27 -0.07 -0.12 0.00 -1.06 0.00 0.00 60.65 59.67 1bj9 h LYS 97 Cb 0.20 -0.26 -0.02 0.00 -0.57 0.00 0.00 32.23 31.58 1bj9 h LYS 97 CO -0.02 0.75 -0.57 1.49 -2.06 0.00 0.00 179.45 179.03 1bj9 h GLU 98 N 1.17 0.01 -2.07 3.15 4.81 -0.59 -3.34 114.58 117.72 1bj9 h GLU 98 Ca 0.38 -0.01 -0.57 0.00 -0.13 0.00 0.00 59.36 59.03 1bj9 h GLU 98 Cb 0.04 0.00 -0.40 0.00 0.63 0.00 0.00 28.75 29.02 1bj9 h GLU 98 CO -0.13 0.58 -0.92 1.19 -0.73 0.00 0.00 179.01 179.00 1bj9 n PHE 99 N -3.86 1.10 0.23 0.92 3.01 -0.04 -4.94 117.46 113.88 1bj9 n PHE 99 Ca -0.01 -3.78 0.14 0.00 1.01 0.00 0.00 57.45 54.80 1bj9 n PHE 99 Cb 0.58 -0.43 0.70 0.00 -0.01 0.00 0.00 39.48 40.32 1bj9 n PHE 99 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1bj9 h PRO 100 N 4.06 0.00 0.00 -1.08 0.13 -1.04 -2.40 132.00 131.67 1bj9 h PRO 100 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 1bj9 h PRO 100 Cb 0.80 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.93 1bj9 h PRO 100 CO 0.60 0.00 -0.10 -2.67 -0.23 0.00 0.00 178.00 175.60 1bj9 n TRP 101 N -2.44 0.15 -2.51 1.56 4.27 -1.26 -4.84 117.44 112.36 1bj9 n TRP 101 Ca -0.01 0.04 -0.41 0.00 -3.89 0.00 0.00 57.50 53.24 1bj9 n TRP 101 Cb 0.08 -0.53 -0.04 0.00 -1.36 0.00 0.00 31.31 29.46 1bj9 n TRP 101 CO 0.00 0.00 0.00 -1.50 -2.29 0.00 0.00 177.69 173.90 1bj9 s ILE 102 N -3.02 3.69 0.70 -1.67 2.07 -0.90 -4.94 121.20 117.13 1bj9 s ILE 102 Ca 0.13 1.59 -0.11 0.00 -1.41 0.00 0.00 60.65 60.85 1bj9 s ILE 102 Cb 0.18 -4.01 0.01 0.00 0.13 0.00 0.00 42.46 38.76 1bj9 s ILE 102 CO 0.57 0.33 1.07 -0.94 -1.91 0.00 0.00 174.94 174.06 1bj9 s SER 103 N -0.56 5.43 0.14 4.50 1.04 -1.26 -4.86 113.70 118.13 1bj9 s SER 103 Ca 0.46 1.43 -0.16 0.00 0.48 0.00 0.00 55.95 58.16 1bj9 s SER 103 Cb -0.30 -2.31 0.00 0.00 0.10 0.00 0.00 66.02 63.50 1bj9 s SER 103 CO 0.38 -1.38 1.73 0.28 0.98 0.00 0.00 173.24 175.22 1bj9 h SER 104 N -0.68 0.51 -0.45 7.02 0.02 -1.93 -0.45 113.55 117.59 1bj9 h SER 104 Ca -0.45 -0.11 -0.02 0.00 -0.84 0.00 0.00 61.79 60.38 1bj9 h SER 104 Cb 1.22 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 63.61 1bj9 h SER 104 CO 0.60 0.48 0.23 1.23 -1.14 0.00 0.00 176.83 178.23 1bj9 h GLY 105 N 0.51 0.73 0.98 -3.77 0.00 -1.79 0.64 103.07 100.37 1bj9 h GLY 105 Ca 0.14 -0.33 -0.11 0.00 0.00 0.00 0.00 47.33 47.03 1bj9 h GLY 105 CO -0.02 0.31 -0.24 -0.55 0.00 0.00 0.00 176.54 176.04 1bj9 h ASP 106 N 0.68 0.78 -0.04 0.19 3.32 -1.71 -2.28 116.42 117.36 1bj9 h ASP 106 Ca 0.17 -0.44 -0.00 0.00 0.02 0.00 0.00 57.03 56.78 1bj9 h ASP 106 Cb 0.07 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.40 1bj9 h ASP 106 CO -0.02 1.05 0.01 0.25 -1.72 0.00 0.00 179.24 178.81 1bj9 h LEU 107 N 0.50 0.06 -1.11 1.55 5.85 -0.26 -0.95 115.31 120.96 1bj9 h LEU 107 Ca 0.06 -0.19 0.04 0.00 0.84 0.00 0.00 57.88 58.63 1bj9 h LEU 107 Cb 0.80 -0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.76 1bj9 h LEU 107 CO 0.06 0.23 0.60 -0.26 -0.34 0.00 0.00 178.44 178.74 1bj9 h PHE 108 N -0.11 1.12 -0.03 1.25 0.04 -0.95 -1.11 116.94 117.14 1bj9 h PHE 108 Ca 0.01 0.03 -0.21 0.00 2.80 0.00 0.00 57.97 60.60 1bj9 h PHE 108 Cb 0.19 -0.37 -0.00 0.00 2.20 0.00 0.00 35.95 37.97 1bj9 h PHE 108 CO -0.01 0.65 -0.86 0.66 -0.60 0.00 0.00 178.31 178.15 1bj9 h SER 109 N 1.15 0.50 0.45 2.17 4.64 -1.31 -3.17 113.55 117.98 1bj9 h SER 109 Ca 0.37 -0.37 -0.09 0.00 -0.47 0.00 0.00 61.79 61.23 1bj9 h SER 109 Cb 0.02 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 61.95 1bj9 h SER 109 CO -0.11 1.15 -0.42 0.25 -0.87 0.00 0.00 176.83 176.83 1bj9 h LEU 110 N 0.24 0.00 -0.96 5.97 5.85 -0.70 -2.69 115.31 123.02 1bj9 h LEU 110 Ca -0.06 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.61 1bj9 h LEU 110 Cb 1.47 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.47 1bj9 h LEU 110 CO 0.15 0.42 0.15 1.23 -0.34 0.00 0.00 178.44 180.05 1bj9 h GLY 111 N 1.33 0.98 0.90 3.75 0.00 -1.19 -0.20 103.07 108.64 1bj9 h GLY 111 Ca -0.00 -0.57 -0.00 0.00 0.00 0.00 0.00 47.33 46.75 1bj9 h GLY 111 CO 0.05 0.54 0.01 -1.33 0.00 0.00 0.00 176.54 175.82 1bj9 h GLY 112 N 1.01 0.04 0.87 4.60 0.00 -1.52 -0.42 103.07 107.66 1bj9 h GLY 112 Ca 0.19 -0.02 0.02 0.00 0.00 0.00 0.00 47.33 47.53 1bj9 h GLY 112 CO -0.00 0.02 0.31 -2.08 0.00 0.00 0.00 176.54 174.78 1bj9 h VAL 113 N -0.06 1.05 -0.34 4.60 2.07 -1.24 -0.97 116.25 121.36 1bj9 h VAL 113 Ca 0.01 -0.21 -0.00 0.00 0.82 0.00 0.00 66.70 67.32 1bj9 h VAL 113 Cb 0.10 0.39 -0.02 0.00 -1.52 0.00 0.00 31.29 30.24 1bj9 h VAL 113 CO -0.00 0.11 0.21 0.74 0.02 0.00 0.00 177.57 178.65 1bj9 h THR 114 N 0.61 1.11 0.26 2.57 2.02 -0.90 -1.71 112.91 116.86 1bj9 h THR 114 Ca 0.21 -0.23 0.00 0.00 0.77 0.00 0.00 66.41 67.16 1bj9 h THR 114 Cb 0.02 0.64 -0.02 0.00 -1.74 0.00 0.00 68.15 67.06 1bj9 h THR 114 CO -0.09 0.11 -0.27 0.00 0.37 0.00 0.00 175.52 175.63 1bj9 h ALA 115 N 1.10 -0.55 -0.53 6.16 0.00 -0.64 0.15 119.26 124.95 1bj9 h ALA 115 Ca 0.12 -0.08 0.06 0.00 0.00 0.00 0.00 54.91 55.01 1bj9 h ALA 115 Cb -0.01 0.39 -0.05 0.00 0.00 0.00 0.00 17.79 18.11 1bj9 h ALA 115 CO -0.02 -0.84 0.24 0.28 0.00 0.00 0.00 179.25 178.90 1bj9 h VAL 116 N -0.56 0.89 -0.25 0.00 2.07 -1.06 -1.53 116.25 115.80 1bj9 h VAL 116 Ca -0.01 -0.16 -0.13 0.00 0.82 0.00 0.00 66.70 67.23 1bj9 h VAL 116 Cb 0.52 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 30.68 1bj9 h VAL 116 CO -0.06 0.08 -0.38 1.56 0.02 0.00 0.00 177.57 178.79 1bj9 h GLN 117 N 0.45 0.58 0.00 1.57 4.20 -1.06 0.37 115.11 121.22 1bj9 h GLN 117 Ca 0.25 -0.28 0.00 0.00 0.06 0.00 0.00 58.65 58.67 1bj9 h GLN 117 Cb 0.21 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.99 1bj9 h GLN 117 CO -0.21 0.87 0.00 0.39 -0.67 0.00 0.00 178.83 179.21 1bj9 n GLU 118 N -4.04 0.23 -0.81 1.46 -0.58 0.50 -2.48 120.64 114.92 1bj9 n GLU 118 Ca -0.01 0.33 0.02 0.00 -0.42 0.00 0.00 57.16 57.08 1bj9 n GLU 118 Cb 0.50 -1.85 0.32 0.00 -0.57 0.00 0.00 31.44 29.84 1bj9 n GLU 118 CO 0.00 0.00 0.00 -1.33 -0.48 0.00 0.00 177.13 175.32 1bj9 n MET 119 N -2.26 4.01 -1.09 3.49 2.81 -0.61 -4.88 117.12 118.59 1bj9 n MET 119 Ca 0.04 -2.67 -0.03 0.00 -1.81 0.00 0.00 57.70 53.22 1bj9 n MET 119 Cb 0.32 -2.14 -0.01 0.00 -0.71 0.00 0.00 33.22 30.68 1bj9 n MET 119 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 1bj9 n GLN 120 N 0.32 -0.70 0.00 0.03 6.02 -1.04 0.12 117.38 122.14 1bj9 n GLN 120 Ca 0.28 0.42 0.00 0.00 -0.01 0.00 0.00 57.00 57.69 1bj9 n GLN 120 Cb 1.13 -4.10 0.00 0.00 1.02 0.00 0.00 30.24 28.29 1bj9 n GLN 120 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1bj9 n GLY 121 N -1.65 -1.55 3.91 1.08 0.00 0.13 -4.74 105.19 102.36 1bj9 n GLY 121 Ca -0.03 -1.55 -0.28 0.00 0.00 0.00 0.00 46.02 44.15 1bj9 n GLY 121 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1bj9 s PRO 122 N -1.63 1.77 0.20 1.61 0.04 -1.26 -4.71 135.00 131.02 1bj9 s PRO 122 Ca 0.00 -0.07 -0.30 0.00 0.04 0.00 0.00 61.00 60.67 1bj9 s PRO 122 Cb 0.00 -1.98 -0.08 0.00 0.04 0.00 0.00 34.50 32.48 1bj9 s PRO 122 CO 0.00 -1.67 0.99 0.15 0.04 0.00 0.00 177.00 176.51 1bj9 s LYS 123 N -5.56 4.74 -0.26 4.56 -0.14 -1.26 -4.40 119.74 117.41 1bj9 s LYS 123 Ca 0.64 1.56 0.03 0.00 -1.36 0.00 0.00 55.97 56.83 1bj9 s LYS 123 Cb -0.10 -3.29 0.06 0.00 -1.68 0.00 0.00 37.83 32.82 1bj9 s LYS 123 CO 0.49 0.32 -0.10 0.42 -0.76 0.00 0.00 175.35 175.72 1bj9 s ILE 124 N -0.70 2.25 0.37 2.17 -1.09 -1.26 -4.89 121.20 118.05 1bj9 s ILE 124 Ca 0.44 -1.61 -0.28 0.00 -2.23 0.00 0.00 60.65 56.97 1bj9 s ILE 124 Cb -0.27 -2.32 -0.11 0.00 -1.58 0.00 0.00 42.46 38.18 1bj9 s ILE 124 CO 0.33 -0.03 1.48 -2.84 -1.23 0.00 0.00 174.94 172.65 1bj9 s PRO 125 N 1.12 4.12 0.04 2.79 0.02 -1.26 -4.76 135.00 137.07 1bj9 s PRO 125 Ca -0.09 2.56 0.03 0.00 0.02 0.00 0.00 61.00 63.53 1bj9 s PRO 125 Cb -0.20 -2.97 -0.02 0.00 0.02 0.00 0.00 34.50 31.32 1bj9 s PRO 125 CO -0.05 -0.52 -0.10 -0.46 -0.33 0.00 0.00 177.00 175.54 1bj9 s TRP 126 N -1.08 0.89 -0.04 6.54 -0.00 -0.42 -4.80 118.94 120.03 1bj9 s TRP 126 Ca 0.53 -0.41 0.07 0.00 -0.00 0.00 0.00 56.10 56.29 1bj9 s TRP 126 Cb -0.46 -0.52 -0.02 0.00 -0.00 0.00 0.00 33.47 32.47 1bj9 s TRP 126 CO 0.62 -0.02 -0.24 1.03 -0.00 0.00 0.00 176.95 178.34 1bj9 s ARG 127 N -1.33 2.34 0.52 5.86 0.52 -1.26 -0.50 118.95 125.10 1bj9 s ARG 127 Ca -0.04 -0.90 0.02 0.00 -0.52 0.00 0.00 55.73 54.30 1bj9 s ARG 127 Cb -0.08 -2.13 0.03 0.00 0.52 0.00 0.00 34.95 33.28 1bj9 s ARG 127 CO 0.01 0.49 0.73 0.00 0.02 0.00 0.00 175.30 176.54 1bj9 n GLY 129 N -2.23 0.69 3.77 0.00 0.00 -1.26 -4.69 105.19 101.46 1bj9 n GLY 129 Ca 0.07 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.70 1bj9 n GLY 129 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1bj9 s ARG 130 N 0.00 4.32 -0.09 1.61 0.52 -1.26 0.45 118.95 124.50 1bj9 s ARG 130 Ca 0.00 1.97 0.04 0.00 -0.52 0.00 0.00 55.73 57.22 1bj9 s ARG 130 Cb 0.00 -2.96 -0.01 0.00 0.52 0.00 0.00 34.95 32.50 1bj9 s ARG 130 CO 0.00 -0.13 -0.21 0.08 0.02 0.00 0.00 175.30 175.06 1bj9 s VAL 131 N -1.24 2.39 0.27 3.52 1.01 -0.99 -4.67 120.40 120.69 1bj9 s VAL 131 Ca 0.51 -0.92 -0.30 0.00 0.00 0.00 0.00 61.98 61.26 1bj9 s VAL 131 Cb -0.34 -1.93 -0.11 0.00 0.00 0.00 0.00 36.38 34.00 1bj9 s VAL 131 CO 0.45 0.56 1.62 -1.81 0.00 0.00 0.00 175.10 175.91 1bj9 s ASP 132 N 0.07 6.38 0.31 3.32 1.11 -1.26 -3.83 116.67 122.76 1bj9 s ASP 132 Ca -0.09 2.92 0.10 0.00 0.18 0.00 0.00 52.55 55.67 1bj9 s ASP 132 Cb -0.15 -2.63 -0.05 0.00 1.07 0.00 0.00 42.92 41.16 1bj9 s ASP 132 CO 0.06 -0.92 -0.09 0.42 1.18 0.00 0.00 175.17 175.81 1bj9 s THR 133 N 0.26 2.63 0.81 -1.27 -4.23 -0.82 -5.00 115.64 108.02 1bj9 s THR 133 Ca 0.66 -2.18 -0.12 0.00 -1.18 0.00 0.00 61.69 58.87 1bj9 s THR 133 Cb -0.48 -2.59 0.09 0.00 1.34 0.00 0.00 72.50 70.86 1bj9 s THR 133 CO 0.44 -0.30 1.17 -2.84 -0.54 0.00 0.00 174.62 172.55 1bj9 s PRO 134 N -3.61 1.68 0.50 3.99 0.02 -1.26 -4.82 135.00 131.50 1bj9 s PRO 134 Ca 0.32 1.61 0.27 0.00 0.02 0.00 0.00 61.00 63.22 1bj9 s PRO 134 Cb -0.02 -1.80 1.37 0.00 0.02 0.00 0.00 34.50 34.07 1bj9 s PRO 134 CO 0.17 -2.15 1.89 1.49 -0.33 0.00 0.00 177.00 178.07 1bj9 h GLU 135 N -1.04 0.11 0.00 5.54 4.81 -1.98 0.70 114.58 122.71 1bj9 h GLU 135 Ca -0.45 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 58.75 1bj9 h GLU 135 Cb 1.28 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 30.63 1bj9 h GLU 135 CO 0.46 0.07 -0.10 -0.44 -0.73 0.00 0.00 179.01 178.28 1bj9 h ASP 136 N 0.11 0.00 -0.02 1.04 5.19 -2.03 -2.68 116.42 118.04 1bj9 h ASP 136 Ca 0.43 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.84 1bj9 h ASP 136 Cb 1.52 0.00 0.00 0.00 0.18 0.00 0.00 39.33 41.03 1bj9 h ASP 136 CO -0.06 0.10 0.00 0.35 -3.12 0.00 0.00 179.24 176.51 1bj9 n THR 137 N -4.29 0.02 -1.96 0.35 -2.24 0.24 -4.85 114.28 101.55 1bj9 n THR 137 Ca -0.03 -0.09 -0.42 0.00 -2.27 0.00 0.00 64.05 61.24 1bj9 n THR 137 Cb 0.17 -0.15 -0.03 0.00 -2.10 0.00 0.00 70.33 68.23 1bj9 n THR 137 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1bj9 s THR 138 N -1.98 3.41 0.81 4.28 2.01 -1.01 -4.67 115.64 118.48 1bj9 s THR 138 Ca 0.39 0.60 -0.12 0.00 0.31 0.00 0.00 61.69 62.88 1bj9 s THR 138 Cb 0.19 -3.39 0.08 0.00 0.01 0.00 0.00 72.50 69.39 1bj9 s THR 138 CO 0.31 -0.04 1.13 -2.16 -0.69 0.00 0.00 174.62 173.18 1bj9 s PRO 139 N 3.69 1.84 0.62 4.92 0.05 -1.26 -4.99 135.00 139.87 1bj9 s PRO 139 Ca 0.75 1.43 -0.12 0.00 0.05 0.00 0.00 61.00 63.11 1bj9 s PRO 139 Cb -0.36 -1.83 -0.04 0.00 0.05 0.00 0.00 34.50 32.33 1bj9 s PRO 139 CO 0.31 -2.00 1.03 -0.51 0.05 0.00 0.00 177.00 175.89 1bj9 s ASP 140 N -2.83 6.15 0.81 6.66 1.11 -1.26 -4.69 116.67 122.63 1bj9 s ASP 140 Ca 0.66 1.46 -0.10 0.00 0.18 0.00 0.00 52.55 54.75 1bj9 s ASP 140 Cb -0.21 -2.48 0.08 0.00 1.07 0.00 0.00 42.92 41.38 1bj9 s ASP 140 CO 0.53 -0.92 1.11 0.20 1.18 0.00 0.00 175.17 177.27 1bj9 s ASN 141 N -4.01 4.01 0.00 0.27 0.02 -1.26 -4.21 114.94 109.76 1bj9 s ASN 141 Ca 0.56 1.95 0.00 0.00 -1.02 0.00 0.00 52.86 54.35 1bj9 s ASN 141 Cb -0.11 -2.54 0.00 0.00 0.02 0.00 0.00 41.25 38.62 1bj9 s ASN 141 CO 0.52 -2.37 0.00 0.61 0.02 0.00 0.00 177.10 175.88 1bj9 n GLY 142 N -0.73 0.62 0.04 0.66 0.00 -1.26 -4.98 105.19 99.54 1bj9 n GLY 142 Ca 0.10 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.24 1bj9 n GLY 142 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bj9 n ARG 143 N -1.37 0.17 -3.17 1.61 1.74 -1.26 -4.90 116.66 109.48 1bj9 n ARG 143 Ca 0.00 0.06 -0.32 0.00 -0.77 0.00 0.00 57.85 56.82 1bj9 n ARG 143 Cb 0.00 -1.62 -0.06 0.00 -1.02 0.00 0.00 32.46 29.76 1bj9 n ARG 143 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1bj9 s LEU 144 N -3.74 4.06 0.53 0.55 1.43 -1.26 -4.77 118.68 115.47 1bj9 s LEU 144 Ca 0.09 1.20 -0.19 0.00 -1.03 0.00 0.00 54.13 54.19 1bj9 s LEU 144 Cb 0.15 -4.00 -0.07 0.00 0.03 0.00 0.00 46.19 42.31 1bj9 s LEU 144 CO 0.69 -0.20 1.07 -2.16 0.23 0.00 0.00 176.35 175.97 1bj9 s PRO 145 N -3.03 3.56 0.46 1.29 0.04 -1.26 -5.05 135.00 131.01 1bj9 s PRO 145 Ca 0.53 1.40 -0.13 0.00 0.04 0.00 0.00 61.00 62.83 1bj9 s PRO 145 Cb -0.10 -2.06 -0.07 0.00 0.04 0.00 0.00 34.50 32.31 1bj9 s PRO 145 CO 0.19 -0.64 0.87 -0.51 0.04 0.00 0.00 177.00 176.96 1bj9 s ASP 146 N -2.10 6.56 -0.01 6.66 1.01 -1.26 -5.02 116.67 122.52 1bj9 s ASP 146 Ca 0.68 1.33 0.19 0.00 0.71 0.00 0.00 52.55 55.47 1bj9 s ASP 146 Cb -0.18 -2.41 -0.24 0.00 1.01 0.00 0.00 42.92 41.10 1bj9 s ASP 146 CO 0.26 -0.49 0.71 0.00 0.21 0.00 0.00 175.17 175.86 1bj9 n ALA 147 N -1.45 4.02 -0.70 5.23 0.00 -1.26 -4.50 120.51 121.86 1bj9 n ALA 147 Ca 0.04 -0.53 -0.18 0.00 0.00 0.00 0.00 53.44 52.77 1bj9 n ALA 147 Cb 0.54 -0.70 0.08 0.00 0.00 0.00 0.00 19.45 19.37 1bj9 n ALA 147 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1bj9 n ASP 148 N -1.67 5.14 -1.75 0.00 5.75 -1.26 -2.38 116.55 120.38 1bj9 n ASP 148 Ca 0.02 -3.13 0.00 0.00 -0.01 0.00 0.00 54.79 51.66 1bj9 n ASP 148 Cb 0.37 -0.87 0.00 0.00 -1.03 0.00 0.00 41.12 39.58 1bj9 n ASP 148 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1bj9 n LYS 149 N -0.26 2.16 -4.47 0.11 4.01 -1.26 -4.93 118.16 113.52 1bj9 n LYS 149 Ca 0.38 0.00 -0.31 0.00 -0.51 0.00 0.00 58.31 57.87 1bj9 n LYS 149 Cb 0.91 0.00 -0.04 0.00 -0.51 0.00 0.00 35.03 35.39 1bj9 n LYS 149 CO 0.00 0.00 0.00 0.16 -1.11 0.00 0.00 177.40 176.45 1bj9 s ASP 150 N -0.77 4.33 0.30 4.39 1.47 -1.26 -3.15 116.67 121.98 1bj9 s ASP 150 Ca 0.00 -1.56 0.06 0.00 1.18 0.00 0.00 52.55 52.22 1bj9 s ASP 150 Cb 0.00 0.65 0.73 0.00 -0.34 0.00 0.00 42.92 43.96 1bj9 s ASP 150 CO 0.00 -1.02 1.78 0.00 0.68 0.00 0.00 175.17 176.61 1bj9 h ALA 151 N 1.06 1.66 -0.75 2.11 0.00 -1.90 -0.51 119.26 120.94 1bj9 h ALA 151 Ca -0.41 0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.52 1bj9 h ALA 151 Cb 1.32 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.99 1bj9 h ALA 151 CO 0.67 -0.03 0.25 0.78 0.00 0.00 0.00 179.25 180.92 1bj9 h GLY 152 N 0.78 1.23 0.94 0.00 0.00 -1.96 -0.58 103.07 103.47 1bj9 h GLY 152 Ca 0.57 -0.71 -0.00 0.00 0.00 0.00 0.00 47.33 47.20 1bj9 h GLY 152 CO -0.37 0.66 0.03 -1.82 0.00 0.00 0.00 176.54 175.03 1bj9 h TYR 153 N 1.10 0.06 -0.62 5.60 3.20 -1.54 -1.97 116.97 122.80 1bj9 h TYR 153 Ca 0.24 -0.00 0.06 0.00 3.14 0.00 0.00 58.73 62.18 1bj9 h TYR 153 Cb 0.28 -0.02 -0.06 0.00 1.54 0.00 0.00 36.73 38.47 1bj9 h TYR 153 CO 0.02 0.10 0.32 0.28 -1.64 0.00 0.00 178.16 177.25 1bj9 h VAL 154 N -0.00 0.93 -0.14 1.81 2.07 -0.87 0.22 116.25 120.27 1bj9 h VAL 154 Ca 0.02 -0.20 -0.00 0.00 0.82 0.00 0.00 66.70 67.33 1bj9 h VAL 154 Cb 0.06 0.28 -0.01 0.00 -1.52 0.00 0.00 31.29 30.11 1bj9 h VAL 154 CO -0.00 0.11 0.08 -0.09 0.02 0.00 0.00 177.57 177.69 1bj9 h ARG 155 N 0.59 0.18 -0.32 1.57 2.43 -0.96 -1.57 114.38 116.31 1bj9 h ARG 155 Ca 0.28 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.43 1bj9 h ARG 155 Cb 0.21 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.71 1bj9 h ARG 155 CO -0.20 0.15 0.16 1.15 -1.51 0.00 0.00 179.97 179.73 1bj9 h THR 156 N 0.16 1.15 0.27 0.20 2.02 -1.02 -2.63 112.91 113.06 1bj9 h THR 156 Ca 0.05 -0.41 0.00 0.00 0.77 0.00 0.00 66.41 66.82 1bj9 h THR 156 Cb 0.02 0.84 -0.02 0.00 -1.74 0.00 0.00 68.15 67.24 1bj9 h THR 156 CO -0.01 0.15 -0.28 0.15 0.37 0.00 0.00 175.52 175.90 1bj9 h PHE 157 N 0.38 -0.75 -0.02 3.16 3.57 -0.39 -2.73 116.94 120.17 1bj9 h PHE 157 Ca 0.11 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.62 1bj9 h PHE 157 Cb 0.10 0.29 -0.00 0.00 2.79 0.00 0.00 35.95 39.13 1bj9 h PHE 157 CO -0.02 -0.40 0.06 0.74 -2.23 0.00 0.00 178.31 176.45 1bj9 h PHE 158 N -0.59 0.00 0.00 0.41 0.04 -1.22 -1.12 116.94 114.46 1bj9 h PHE 158 Ca -0.01 0.00 -0.07 0.00 2.80 0.00 0.00 57.97 60.69 1bj9 h PHE 158 Cb 0.54 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.68 1bj9 h PHE 158 CO -0.18 0.00 -0.35 1.96 -0.60 0.00 0.00 178.31 179.13 1bj9 h GLN 159 N 0.00 0.00 0.00 1.51 1.08 -1.14 -0.94 115.11 115.63 1bj9 h GLN 159 Ca 0.01 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.20 1bj9 h GLN 159 Cb 0.12 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.55 1bj9 h GLN 159 CO -0.00 0.35 -0.03 -0.09 -0.95 0.00 0.00 178.83 178.11 1bj9 h ARG 160 N 0.00 0.00 -0.53 1.46 2.43 -1.27 0.42 114.38 116.89 1bj9 h ARG 160 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1bj9 h ARG 160 Cb 0.71 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.26 1bj9 h ARG 160 CO 0.05 0.03 0.00 1.28 -1.51 0.00 0.00 179.97 179.82 1bj9 n LEU 161 N -3.23 3.60 -1.80 3.80 4.77 -0.88 -1.72 117.00 121.53 1bj9 n LEU 161 Ca -0.01 -2.11 -0.17 0.00 -0.03 0.00 0.00 56.01 53.68 1bj9 n LEU 161 Cb 0.20 -0.39 -0.03 0.00 -2.33 0.00 0.00 43.42 40.87 1bj9 n LEU 161 CO 0.25 0.84 -0.21 0.59 -1.33 0.00 0.00 177.39 177.53 1bj9 n ASN 162 N 0.96 -5.12 -4.67 -1.43 4.13 0.14 -4.99 115.26 104.28 1bj9 n ASN 162 Ca 0.19 0.12 -0.34 0.00 1.68 0.00 0.00 54.58 56.22 1bj9 n ASN 162 Cb 0.58 -4.19 -0.10 0.00 -1.54 0.00 0.00 39.78 34.54 1bj9 n ASN 162 CO 0.00 0.00 0.00 -0.04 0.28 0.00 0.00 177.26 177.50 1bj9 s MET 163 N -4.46 2.90 0.40 3.52 -1.94 -0.41 -5.00 119.30 114.32 1bj9 s MET 163 Ca 0.00 -0.47 0.01 0.00 -1.71 0.00 0.00 55.69 53.52 1bj9 s MET 163 Cb 0.00 -2.74 0.08 0.00 2.01 0.00 0.00 34.83 34.18 1bj9 s MET 163 CO 0.00 0.68 0.55 0.27 -0.01 0.00 0.00 175.02 176.51 1bj9 n ASN 164 N 1.98 0.86 -0.08 3.03 0.23 -1.26 -4.00 115.26 116.01 1bj9 n ASN 164 Ca -0.18 -1.70 -0.06 0.00 -0.53 0.00 0.00 54.58 52.11 1bj9 n ASN 164 Cb 0.53 -0.35 -0.00 0.00 -2.08 0.00 0.00 39.78 37.88 1bj9 n ASN 164 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 1bj9 h ASP 165 N -0.26 -0.27 -0.63 0.53 3.32 -1.99 0.40 116.42 117.51 1bj9 h ASP 165 Ca -0.18 0.09 -0.02 0.00 0.02 0.00 0.00 57.03 56.94 1bj9 h ASP 165 Cb 0.70 0.19 -0.03 0.00 0.22 0.00 0.00 39.33 40.41 1bj9 h ASP 165 CO 0.21 -0.09 0.33 -0.09 -1.72 0.00 0.00 179.24 177.87 1bj9 h ARG 166 N 0.01 0.89 -0.51 3.56 2.43 -1.96 -1.21 114.38 117.58 1bj9 h ARG 166 Ca 0.15 -0.11 -0.03 0.00 -0.81 0.00 0.00 59.98 59.17 1bj9 h ARG 166 Cb 0.22 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 29.58 1bj9 h ARG 166 CO -0.31 0.69 0.20 0.93 -1.51 0.00 0.00 179.97 179.96 1bj9 h GLU 167 N 0.86 0.77 -0.27 0.20 5.08 -1.80 -0.95 114.58 118.47 1bj9 h GLU 167 Ca 0.22 -0.15 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 1bj9 h GLU 167 Cb 0.07 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 1bj9 h GLU 167 CO -0.03 0.69 0.18 0.28 -1.00 0.00 0.00 179.01 179.12 1bj9 h VAL 168 N 0.69 1.06 -0.64 3.13 2.07 -0.69 0.66 116.25 122.54 1bj9 h VAL 168 Ca 0.17 -0.12 -0.08 0.00 0.82 0.00 0.00 66.70 67.48 1bj9 h VAL 168 Cb 0.21 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 30.63 1bj9 h VAL 168 CO -0.01 0.07 0.07 0.58 0.02 0.00 0.00 177.57 178.29 1bj9 h VAL 169 N 0.36 1.26 0.38 2.57 2.07 -1.01 -1.53 116.25 120.36 1bj9 h VAL 169 Ca 0.10 -1.08 -0.02 0.00 0.82 0.00 0.00 66.70 66.53 1bj9 h VAL 169 Cb -0.03 0.71 0.00 0.00 -1.52 0.00 0.00 31.29 30.45 1bj9 h VAL 169 CO -0.03 0.40 -0.18 0.00 0.02 0.00 0.00 177.57 177.78 1bj9 h ALA 170 N 1.02 -0.51 -0.95 1.67 0.00 -0.94 -2.88 119.26 116.67 1bj9 h ALA 170 Ca 0.19 -0.12 0.13 0.00 0.00 0.00 0.00 54.91 55.11 1bj9 h ALA 170 Cb 0.48 0.20 -0.09 0.00 0.00 0.00 0.00 17.79 18.38 1bj9 h ALA 170 CO 0.02 -0.77 0.57 -0.07 0.00 0.00 0.00 179.25 179.00 1bj9 h LEU 171 N -0.54 0.80 -2.22 0.00 3.38 -0.76 -1.06 115.31 114.92 1bj9 h LEU 171 Ca -0.05 0.06 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 1bj9 h LEU 171 Cb 0.41 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.07 1bj9 h LEU 171 CO 0.09 0.39 -0.02 -0.03 0.09 0.00 0.00 178.44 178.95 1bj9 h MET 172 N 0.86 0.00 0.00 1.13 4.05 -1.06 -2.55 114.93 117.36 1bj9 h MET 172 Ca 0.49 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.91 1bj9 h MET 172 Cb 0.57 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.37 1bj9 h MET 172 CO -0.30 0.02 0.00 0.41 0.23 0.00 0.00 176.91 177.27 1bj9 n GLY 173 N -0.60 -0.27 0.18 1.39 0.00 -0.40 -1.10 105.19 104.39 1bj9 n GLY 173 Ca -0.01 -0.01 0.14 0.00 0.00 0.00 0.00 46.02 46.13 1bj9 n GLY 173 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bj9 h ALA 174 N 2.11 1.00 0.00 4.61 0.00 -1.63 -2.64 119.26 122.71 1bj9 h ALA 174 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1bj9 h ALA 174 Cb 0.01 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1bj9 h ALA 174 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 179.25 179.97 1bj9 n HIS 175 N -2.55 0.00 0.23 0.00 8.25 -0.26 -1.30 115.22 119.59 1bj9 n HIS 175 Ca 0.02 0.00 0.10 0.00 -0.26 0.00 0.00 57.72 57.58 1bj9 n HIS 175 Cb 0.28 -0.34 0.56 0.00 1.12 0.00 0.00 29.99 31.60 1bj9 n HIS 175 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1bj9 h ALA 176 N 2.47 1.19 -2.59 -1.41 0.00 -1.71 -3.41 119.26 113.80 1bj9 h ALA 176 Ca 0.00 -0.19 -0.55 0.00 0.00 0.00 0.00 54.91 54.17 1bj9 h ALA 176 Cb 0.12 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 1bj9 h ALA 176 CO 0.00 0.26 -0.01 -0.51 0.00 0.00 0.00 179.25 178.99 1bj9 s LEU 177 N -7.23 4.37 0.00 0.00 1.43 -0.42 -4.44 118.68 112.39 1bj9 s LEU 177 Ca -0.02 1.22 0.00 0.00 -1.03 0.00 0.00 54.13 54.31 1bj9 s LEU 177 Cb 0.12 -3.32 0.00 0.00 0.03 0.00 0.00 46.19 43.02 1bj9 s LEU 177 CO 0.63 0.10 0.00 0.61 0.23 0.00 0.00 176.35 177.92 1bj9 n GLY 178 N 0.91 0.73 3.79 -3.19 0.00 -0.68 -4.92 105.19 101.83 1bj9 n GLY 178 Ca -0.05 -0.76 -0.02 0.00 0.00 0.00 0.00 46.02 45.20 1bj9 n GLY 178 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1bj9 s LYS 179 N 0.00 1.01 0.18 1.61 -2.85 -1.26 -4.32 119.74 114.11 1bj9 s LYS 179 Ca 0.00 -0.61 -0.03 0.00 -1.00 0.00 0.00 55.97 54.33 1bj9 s LYS 179 Cb 0.00 0.32 -0.05 0.00 -2.06 0.00 0.00 37.83 36.04 1bj9 s LYS 179 CO 0.00 -0.47 0.40 0.95 0.10 0.00 0.00 175.35 176.33 1bj9 s THR 180 N -2.62 5.17 -0.10 3.79 -4.23 -0.61 -4.97 115.64 112.07 1bj9 s THR 180 Ca 0.17 -0.12 0.00 0.00 -1.18 0.00 0.00 61.69 60.56 1bj9 s THR 180 Cb -0.00 -3.68 0.02 0.00 1.34 0.00 0.00 72.50 70.18 1bj9 s THR 180 CO 0.02 -0.08 -0.07 -1.00 -0.54 0.00 0.00 174.62 172.94 1bj9 s HIS 181 N -1.79 1.35 0.23 3.99 0.09 -0.98 -2.53 115.29 115.66 1bj9 s HIS 181 Ca 0.40 -0.62 -0.12 0.00 -0.00 0.00 0.00 55.06 54.72 1bj9 s HIS 181 Cb -0.12 -1.13 0.30 0.00 -0.00 0.00 0.00 32.58 31.64 1bj9 s HIS 181 CO 0.27 -0.44 1.60 1.25 -0.00 0.00 0.00 174.74 177.42 1bj9 h LEU 182 N 7.94 -0.77 -1.70 0.89 5.85 -1.29 0.34 115.31 126.57 1bj9 h LEU 182 Ca -0.29 0.23 -0.03 0.00 0.84 0.00 0.00 57.88 58.63 1bj9 h LEU 182 Cb 1.14 0.49 -0.01 0.00 0.37 0.00 0.00 40.66 42.66 1bj9 h LEU 182 CO 0.41 -0.26 -0.10 0.11 -0.34 0.00 0.00 178.44 178.26 1bj9 h LYS 183 N -0.01 0.07 0.00 1.25 6.56 -1.97 0.86 116.57 123.33 1bj9 h LYS 183 Ca 0.36 -0.01 -0.06 0.00 -1.06 0.00 0.00 60.65 59.88 1bj9 h LYS 183 Cb 0.56 -0.01 -0.01 0.00 -0.57 0.00 0.00 32.23 32.20 1bj9 h LYS 183 CO -0.79 0.17 -0.39 -0.91 -2.06 0.00 0.00 179.45 175.48 1bj9 h ASN 184 N 0.07 0.00 -0.00 0.86 2.35 -1.35 -3.43 115.58 114.08 1bj9 h ASN 184 Ca 0.02 -0.45 0.00 0.00 -0.55 0.00 0.00 56.30 55.31 1bj9 h ASN 184 Cb 0.22 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.59 1bj9 h ASN 184 CO 0.01 0.95 -0.07 -1.54 -1.65 0.00 0.00 177.43 175.13 1bj9 n SER 185 N -4.61 0.95 0.00 5.81 3.41 -0.34 -4.81 113.62 114.03 1bj9 n SER 185 Ca -0.12 -0.97 0.00 0.00 -0.26 0.00 0.00 58.87 57.51 1bj9 n SER 185 Cb 0.37 0.37 0.00 0.00 -0.26 0.00 0.00 64.21 64.68 1bj9 n SER 185 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1bj9 n GLY 186 N 0.57 0.67 3.04 5.00 0.00 0.29 -5.02 105.19 109.74 1bj9 n GLY 186 Ca 0.02 -0.26 -0.14 0.00 0.00 0.00 0.00 46.02 45.64 1bj9 n GLY 186 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1bj9 s TYR 187 N -2.00 0.65 -0.03 1.61 2.02 -1.26 -4.64 117.35 113.70 1bj9 s TYR 187 Ca 0.00 -0.39 -0.01 0.00 -0.37 0.00 0.00 57.07 56.30 1bj9 s TYR 187 Cb 0.00 -0.40 0.03 0.00 -0.40 0.00 0.00 41.96 41.19 1bj9 s TYR 187 CO 0.00 -0.06 0.06 -2.00 -1.57 0.00 0.00 175.55 171.98 1bj9 s GLU 188 N -1.22 0.01 0.00 -0.62 2.56 -1.26 -0.71 118.70 117.46 1bj9 s GLU 188 Ca -0.07 0.22 0.00 0.00 0.00 0.00 0.00 54.97 55.13 1bj9 s GLU 188 Cb -0.08 -0.20 0.00 0.00 2.00 0.00 0.00 34.13 35.85 1bj9 s GLU 188 CO 0.00 -0.15 0.00 0.41 -0.56 0.00 0.00 175.26 174.97 1bj9 n GLY 189 N 4.05 3.46 3.94 -1.50 0.00 -1.05 -4.92 105.19 109.16 1bj9 n GLY 189 Ca -0.26 -1.88 -0.24 0.00 0.00 0.00 0.00 46.02 43.65 1bj9 n GLY 189 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1bj9 s PRO 190 N -3.10 2.71 0.05 1.61 0.04 -1.26 -1.57 135.00 133.48 1bj9 s PRO 190 Ca 0.00 -0.38 0.24 0.00 0.04 0.00 0.00 61.00 60.91 1bj9 s PRO 190 Cb 0.00 -2.38 0.33 0.00 0.04 0.00 0.00 34.50 32.49 1bj9 s PRO 190 CO 0.00 -0.70 1.28 0.91 0.04 0.00 0.00 177.00 178.53 1bj9 n TRP 191 N -2.46 0.24 -3.40 0.56 8.01 -1.26 -1.33 117.44 117.80 1bj9 n TRP 191 Ca 0.05 0.07 0.00 0.00 -1.31 0.00 0.00 57.50 56.31 1bj9 n TRP 191 Cb 0.59 -0.41 0.00 0.00 -2.01 0.00 0.00 31.31 29.47 1bj9 n TRP 191 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1bj9 n GLY 192 N 1.42 1.16 0.13 6.99 0.00 -1.26 -4.66 105.19 108.97 1bj9 n GLY 192 Ca 0.04 -0.84 -0.22 0.00 0.00 0.00 0.00 46.02 45.00 1bj9 n GLY 192 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bj9 h ALA 193 N 2.00 0.32 -1.49 4.61 0.00 -1.95 -3.41 119.26 119.34 1bj9 h ALA 193 Ca 0.00 -1.26 -0.76 0.00 0.00 0.00 0.00 54.91 52.89 1bj9 h ALA 193 Cb 0.00 0.65 -0.19 0.00 0.00 0.00 0.00 17.79 18.25 1bj9 h ALA 193 CO 0.00 1.03 1.49 0.00 0.00 0.00 0.00 179.25 181.77 1bj9 n ALA 194 N -3.08 4.60 1.95 0.00 0.00 -1.26 -4.83 120.51 117.88 1bj9 n ALA 194 Ca -0.30 -4.36 0.03 0.00 0.00 0.00 0.00 53.44 48.81 1bj9 n ALA 194 Cb 0.93 -2.91 0.19 0.00 0.00 0.00 0.00 19.45 17.65 1bj9 n ALA 194 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1bj9 n ASN 195 N 4.32 0.09 -1.07 0.00 6.94 -1.26 -3.31 115.26 120.96 1bj9 n ASN 195 Ca 0.36 -1.81 0.03 0.00 -0.02 0.00 0.00 54.58 53.14 1bj9 n ASN 195 Cb 0.39 -0.01 0.03 0.00 -2.36 0.00 0.00 39.78 37.83 1bj9 n ASN 195 CO 0.00 0.00 0.00 -0.46 -1.03 0.00 0.00 177.26 175.77 1bj9 n ASN 196 N -0.55 0.75 -3.95 0.53 0.23 -1.26 -1.68 115.26 109.33 1bj9 n ASN 196 Ca 0.05 -2.14 -0.21 0.00 -0.53 0.00 0.00 54.58 51.75 1bj9 n ASN 196 Cb 0.04 -0.28 -0.16 0.00 -2.08 0.00 0.00 39.78 37.29 1bj9 n ASN 196 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 1bj9 s VAL 197 N -0.28 0.72 -0.44 3.53 0.11 -1.21 -4.79 120.40 118.04 1bj9 s VAL 197 Ca 0.23 -0.26 -0.29 0.00 -2.93 0.00 0.00 61.98 58.72 1bj9 s VAL 197 Cb 0.26 -0.68 0.02 0.00 -1.53 0.00 0.00 36.38 34.45 1bj9 s VAL 197 CO -0.10 0.25 1.17 0.12 -3.33 0.00 0.00 175.10 173.21 1bj9 s PHE 198 N 0.60 2.81 0.33 1.54 2.19 0.12 -4.85 117.98 120.72 1bj9 s PHE 198 Ca -0.09 0.79 0.01 0.00 0.33 0.00 0.00 56.93 57.96 1bj9 s PHE 198 Cb -0.13 -4.29 -0.00 0.00 -1.31 0.00 0.00 43.02 37.29 1bj9 s PHE 198 CO 0.01 -1.30 0.41 0.25 1.83 0.00 0.00 175.22 176.41 1bj9 n THR 199 N 6.71 0.00 0.24 0.12 -2.24 -1.26 -4.53 114.28 113.31 1bj9 n THR 199 Ca 0.13 -1.90 0.03 0.00 -2.27 0.00 0.00 64.05 60.04 1bj9 n THR 199 Cb 0.48 1.09 0.18 0.00 -2.10 0.00 0.00 70.33 69.98 1bj9 n THR 199 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1bj9 n ASN 200 N -1.68 2.97 -0.32 3.42 6.94 -1.26 -4.47 115.26 120.87 1bj9 n ASN 200 Ca 0.03 -2.37 0.17 0.00 -0.02 0.00 0.00 54.58 52.38 1bj9 n ASN 200 Cb 0.57 -0.55 0.36 0.00 -2.36 0.00 0.00 39.78 37.80 1bj9 n ASN 200 CO 0.00 0.00 0.00 -0.08 -1.03 0.00 0.00 177.26 176.15 1bj9 h GLU 201 N 1.77 0.33 -0.60 -3.83 4.81 -1.95 -1.70 114.58 113.41 1bj9 h GLU 201 Ca 0.00 -0.02 0.12 0.00 -0.13 0.00 0.00 59.36 59.33 1bj9 h GLU 201 Cb 1.09 -0.07 -0.09 0.00 0.63 0.00 0.00 28.75 30.31 1bj9 h GLU 201 CO 0.20 0.22 0.09 0.35 -0.73 0.00 0.00 179.01 179.13 1bj9 h PHE 202 N 0.34 0.12 -0.46 0.92 3.57 -1.86 -0.26 116.94 119.31 1bj9 h PHE 202 Ca 0.62 0.04 -0.08 0.00 3.53 0.00 0.00 57.97 62.08 1bj9 h PHE 202 Cb 1.28 0.04 -0.02 0.00 2.79 0.00 0.00 35.95 40.04 1bj9 h PHE 202 CO -0.13 -0.08 -0.02 1.88 -2.23 0.00 0.00 178.31 177.74 1bj9 h TYR 203 N 0.21 0.90 -0.26 0.41 0.05 -1.66 -2.08 116.97 114.53 1bj9 h TYR 203 Ca 0.32 -0.16 0.04 0.00 0.05 0.00 0.00 58.73 58.98 1bj9 h TYR 203 Cb 0.49 -0.23 -0.04 0.00 1.01 0.00 0.00 36.73 37.96 1bj9 h TYR 203 CO -0.28 0.87 0.02 -0.07 -1.05 0.00 0.00 178.16 177.65 1bj9 h LEU 204 N 0.66 -0.07 -0.39 3.88 3.38 -1.22 -0.15 115.31 121.41 1bj9 h LEU 204 Ca 0.13 0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.15 1bj9 h LEU 204 Cb 0.53 0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.35 1bj9 h LEU 204 CO 0.03 -0.00 0.22 0.78 0.09 0.00 0.00 178.44 179.56 1bj9 h ASN 205 N 0.10 0.47 -0.53 -0.43 4.21 -0.97 0.45 115.58 118.89 1bj9 h ASN 205 Ca 0.12 -0.07 -0.01 0.00 1.21 0.00 0.00 56.30 57.55 1bj9 h ASN 205 Cb 0.15 -0.12 -0.03 0.00 -1.12 0.00 0.00 38.32 37.20 1bj9 h ASN 205 CO -0.19 0.40 0.29 0.25 -1.29 0.00 0.00 177.43 176.89 1bj9 h LEU 206 N 0.50 0.69 0.00 1.61 5.85 -0.94 -1.78 115.31 121.24 1bj9 h LEU 206 Ca 0.14 -0.05 -0.20 0.00 0.84 0.00 0.00 57.88 58.60 1bj9 h LEU 206 Cb 0.03 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 40.85 1bj9 h LEU 206 CO -0.02 0.57 -1.25 -0.07 -0.34 0.00 0.00 178.44 177.33 1bj9 h LEU 207 N 0.78 0.00 0.00 2.25 3.38 -0.37 -3.40 115.31 117.95 1bj9 h LEU 207 Ca 0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.17 1bj9 h LEU 207 Cb 0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.79 1bj9 h LEU 207 CO -0.03 0.78 -1.54 0.59 0.09 0.00 0.00 178.44 178.33 1bj9 n ASN 208 N -3.10 0.37 -4.92 -0.43 5.03 0.15 -4.99 115.26 107.38 1bj9 n ASN 208 Ca -0.08 0.03 -0.26 0.00 0.87 0.00 0.00 54.58 55.15 1bj9 n ASN 208 Cb 0.91 1.34 0.03 0.00 -1.02 0.00 0.00 39.78 41.03 1bj9 n ASN 208 CO 0.00 0.00 0.00 -1.61 -1.83 0.00 0.00 177.26 173.82 1bj9 s GLU 209 N -3.41 2.94 -0.55 3.52 0.41 -0.69 -5.03 118.70 115.89 1bj9 s GLU 209 Ca -0.04 -0.10 -0.10 0.00 -0.41 0.00 0.00 54.97 54.33 1bj9 s GLU 209 Cb 0.13 -2.32 0.14 0.00 -1.78 0.00 0.00 34.13 30.30 1bj9 s GLU 209 CO 0.86 -0.63 0.43 0.34 -0.49 0.00 0.00 175.26 175.77 1bj9 s ASP 210 N -4.29 5.84 0.03 -0.19 2.15 -1.26 -5.00 116.67 113.96 1bj9 s ASP 210 Ca 0.53 -2.13 -0.23 0.00 0.43 0.00 0.00 52.55 51.15 1bj9 s ASP 210 Cb -0.10 -2.04 -0.06 0.00 -0.30 0.00 0.00 42.92 40.42 1bj9 s ASP 210 CO 0.44 -0.65 0.69 0.26 -0.17 0.00 0.00 175.17 175.74 1bj9 s TRP 211 N 1.03 3.73 -0.10 -5.34 0.52 -1.26 -3.98 118.94 113.54 1bj9 s TRP 211 Ca 0.09 1.37 0.03 0.00 0.02 0.00 0.00 56.10 57.60 1bj9 s TRP 211 Cb -0.24 -2.72 0.01 0.00 -1.15 0.00 0.00 33.47 29.37 1bj9 s TRP 211 CO -0.02 0.33 -0.19 0.15 0.02 0.00 0.00 176.95 177.25 1bj9 s LYS 212 N -0.23 2.51 0.02 4.98 3.01 0.15 -4.88 119.74 125.31 1bj9 s LYS 212 Ca 0.35 -0.68 -0.30 0.00 -1.01 0.00 0.00 55.97 54.33 1bj9 s LYS 212 Cb -0.20 -2.02 -0.04 0.00 -1.01 0.00 0.00 37.83 34.57 1bj9 s LYS 212 CO 0.21 0.04 1.03 -1.17 0.51 0.00 0.00 175.35 175.96 1bj9 s LEU 213 N 0.70 4.38 0.21 3.17 2.96 -1.26 -0.18 118.68 128.65 1bj9 s LEU 213 Ca -0.12 1.75 -0.10 0.00 -0.22 0.00 0.00 54.13 55.44 1bj9 s LEU 213 Cb -0.16 -3.57 -0.01 0.00 0.50 0.00 0.00 46.19 42.95 1bj9 s LEU 213 CO 0.03 -0.30 0.37 -1.61 -1.32 0.00 0.00 176.35 173.52 1bj9 s GLU 214 N 0.96 1.37 0.00 1.98 2.02 0.14 -4.96 118.70 120.21 1bj9 s GLU 214 Ca 0.53 -1.27 -0.02 0.00 0.02 0.00 0.00 54.97 54.23 1bj9 s GLU 214 Cb -0.23 0.41 -0.04 0.00 0.10 0.00 0.00 34.13 34.37 1bj9 s GLU 214 CO 0.28 -0.53 0.17 0.15 0.02 0.00 0.00 175.26 175.35 1bj9 s LYS 215 N -4.02 3.38 0.57 1.61 1.02 -1.26 -0.36 119.74 120.68 1bj9 s LYS 215 Ca 0.23 -0.36 0.09 0.00 0.02 0.00 0.00 55.97 55.94 1bj9 s LYS 215 Cb 0.02 -3.05 0.08 0.00 -0.52 0.00 0.00 37.83 34.35 1bj9 s LYS 215 CO 0.06 0.66 0.70 0.54 -0.92 0.00 0.00 175.35 176.40 1bj9 s ASN 216 N -2.00 4.97 0.56 2.83 2.20 0.92 -4.91 114.94 119.51 1bj9 s ASN 216 Ca 0.28 -0.96 0.35 0.00 -0.94 0.00 0.00 52.86 51.58 1bj9 s ASN 216 Cb -0.13 0.37 1.90 0.00 -2.00 0.00 0.00 41.25 41.39 1bj9 s ASN 216 CO 0.19 -1.31 2.06 0.44 -2.94 0.00 0.00 177.10 175.55 1bj9 h ASP 217 N 0.30 0.00 -0.25 3.54 3.32 -1.92 0.65 116.42 122.06 1bj9 h ASP 217 Ca -0.31 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.74 1bj9 h ASP 217 Cb 1.29 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.84 1bj9 h ASP 217 CO 0.45 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.97 1bj9 n ALA 218 N -1.94 2.46 -2.30 3.45 0.00 -1.26 -4.95 120.51 115.97 1bj9 n ALA 218 Ca -0.02 -0.80 -0.09 0.00 0.00 0.00 0.00 53.44 52.53 1bj9 n ALA 218 Cb 0.12 -0.92 0.00 0.00 0.00 0.00 0.00 19.45 18.65 1bj9 n ALA 218 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1bj9 n ASN 219 N 1.14 -3.18 -4.45 0.00 5.15 0.23 -5.03 115.26 109.12 1bj9 n ASN 219 Ca 0.18 -0.04 -0.29 0.00 -0.60 0.00 0.00 54.58 53.82 1bj9 n ASN 219 Cb 0.53 -2.35 -0.12 0.00 -0.53 0.00 0.00 39.78 37.32 1bj9 n ASN 219 CO 0.00 0.00 0.00 0.20 1.40 0.00 0.00 177.26 178.86 1bj9 s ASN 220 N -2.70 3.67 0.28 1.20 0.01 -1.25 -4.83 114.94 111.32 1bj9 s ASN 220 Ca 0.04 -0.60 -0.16 0.00 -0.71 0.00 0.00 52.86 51.43 1bj9 s ASN 220 Cb -0.02 -0.45 -0.09 0.00 0.41 0.00 0.00 41.25 41.11 1bj9 s ASN 220 CO 0.05 0.19 0.72 -1.61 -1.51 0.00 0.00 177.10 174.95 1bj9 s GLU 221 N -1.98 4.08 0.03 -0.60 0.41 -1.26 -0.06 118.70 119.33 1bj9 s GLU 221 Ca 0.16 0.73 -0.20 0.00 -0.41 0.00 0.00 54.97 55.25 1bj9 s GLU 221 Cb -0.10 -2.60 0.04 0.00 -1.78 0.00 0.00 34.13 29.69 1bj9 s GLU 221 CO 0.08 0.25 0.45 1.14 -0.49 0.00 0.00 175.26 176.69 1bj9 s GLN 222 N -2.61 0.94 -0.25 1.61 -2.07 0.51 -4.61 119.66 113.19 1bj9 s GLN 222 Ca 0.50 -0.26 -0.16 0.00 -1.82 0.00 0.00 55.36 53.62 1bj9 s GLN 222 Cb -0.13 0.43 -0.04 0.00 -1.09 0.00 0.00 33.01 32.18 1bj9 s GLN 222 CO 0.19 -0.32 0.42 -1.58 -1.32 0.00 0.00 175.29 172.67 1bj9 s TRP 223 N -2.26 3.29 -0.00 9.60 0.52 -0.86 -0.68 118.94 128.54 1bj9 s TRP 223 Ca -0.06 0.53 0.05 0.00 0.02 0.00 0.00 56.10 56.64 1bj9 s TRP 223 Cb -0.01 -2.59 -0.03 0.00 -1.15 0.00 0.00 33.47 29.69 1bj9 s TRP 223 CO -0.01 -0.17 -0.16 -0.51 0.02 0.00 0.00 176.95 176.12 1bj9 s ASP 224 N 1.43 3.90 0.22 2.95 1.01 0.74 -0.33 116.67 126.59 1bj9 s ASP 224 Ca 0.18 -0.31 0.08 0.00 0.71 0.00 0.00 52.55 53.21 1bj9 s ASP 224 Cb -0.15 -0.72 -0.04 0.00 1.01 0.00 0.00 42.92 43.01 1bj9 s ASP 224 CO 0.09 0.30 0.03 -0.94 0.21 0.00 0.00 175.17 174.86 1bj9 s SER 225 N -1.09 4.80 0.29 0.27 1.04 0.11 0.34 113.70 119.46 1bj9 s SER 225 Ca 0.13 -0.48 -0.02 0.00 0.48 0.00 0.00 55.95 56.06 1bj9 s SER 225 Cb -0.11 -1.01 0.43 0.00 0.10 0.00 0.00 66.02 65.43 1bj9 s SER 225 CO 0.03 0.03 1.95 0.07 0.98 0.00 0.00 173.24 176.30 1bj9 h LYS 226 N 2.17 1.07 0.00 4.02 -0.00 -1.88 -0.90 116.57 121.05 1bj9 h LYS 226 Ca -0.46 -0.08 0.00 0.00 -0.00 0.00 0.00 60.65 60.10 1bj9 h LYS 226 Cb 1.23 -0.23 0.00 0.00 -0.00 0.00 0.00 32.23 33.23 1bj9 h LYS 226 CO 0.59 0.73 0.03 0.43 -0.00 0.00 0.00 179.45 181.24 1bj9 n SER 227 N -4.39 0.53 0.00 7.07 7.64 -1.26 -4.79 113.62 118.42 1bj9 n SER 227 Ca 0.09 0.74 0.00 0.00 1.01 0.00 0.00 58.87 60.70 1bj9 n SER 227 Cb 0.05 -0.80 0.00 0.00 -1.01 0.00 0.00 64.21 62.46 1bj9 n SER 227 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1bj9 n GLY 228 N -1.30 0.92 4.01 0.23 0.00 -0.34 -5.09 105.19 103.61 1bj9 n GLY 228 Ca -0.01 -0.09 -0.17 0.00 0.00 0.00 0.00 46.02 45.74 1bj9 n GLY 228 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1bj9 s TYR 229 N -2.00 2.82 0.13 1.61 2.02 -1.24 -4.62 117.35 116.07 1bj9 s TYR 229 Ca 0.00 -0.38 -0.02 0.00 -0.37 0.00 0.00 57.07 56.31 1bj9 s TYR 229 Cb 0.00 -2.38 -0.04 0.00 -0.40 0.00 0.00 41.96 39.14 1bj9 s TYR 229 CO 0.00 -0.42 0.07 0.00 -1.57 0.00 0.00 175.55 173.63 1bj9 s MET 230 N -4.36 0.93 -0.06 -0.62 0.23 -0.44 -0.71 119.30 114.27 1bj9 s MET 230 Ca 0.55 -1.41 -0.05 0.00 -1.03 0.00 0.00 55.69 53.75 1bj9 s MET 230 Cb -0.10 0.25 0.02 0.00 -1.53 0.00 0.00 34.83 33.47 1bj9 s MET 230 CO 0.33 -0.27 0.15 -1.64 -2.03 0.00 0.00 175.02 171.57 1bj9 s MET 231 N -4.04 0.17 0.64 3.16 -1.94 0.55 -4.33 119.30 113.51 1bj9 s MET 231 Ca 0.23 0.23 -0.10 0.00 -1.71 0.00 0.00 55.69 54.34 1bj9 s MET 231 Cb 0.07 0.05 -0.00 0.00 2.01 0.00 0.00 34.83 36.96 1bj9 s MET 231 CO 0.01 -0.04 1.02 -0.51 -0.01 0.00 0.00 175.02 175.49 1bj9 s LEU 232 N 0.22 3.10 0.23 -0.03 1.43 -1.26 -2.03 118.68 120.34 1bj9 s LEU 232 Ca -0.01 1.09 -0.06 0.00 -1.03 0.00 0.00 54.13 54.12 1bj9 s LEU 232 Cb -0.02 -3.96 0.40 0.00 0.03 0.00 0.00 46.19 42.63 1bj9 s LEU 232 CO -0.01 -1.12 1.74 -0.65 0.23 0.00 0.00 176.35 176.55 1bj9 h PRO 233 N -0.41 0.46 -0.15 1.29 0.11 -1.81 0.28 132.00 131.78 1bj9 h PRO 233 Ca -0.45 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 65.58 1bj9 h PRO 233 Cb 1.24 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 1bj9 h PRO 233 CO 0.63 0.30 -0.14 1.79 -0.21 0.00 0.00 178.00 180.37 1bj9 h THR 234 N 0.47 1.18 -0.14 -1.15 1.35 -1.42 0.58 112.91 113.79 1bj9 h THR 234 Ca 0.38 -0.80 -0.08 0.00 -0.55 0.00 0.00 66.41 65.36 1bj9 h THR 234 Cb 0.52 1.22 -0.00 0.00 -1.73 0.00 0.00 68.15 68.16 1bj9 h THR 234 CO -0.35 0.25 -0.23 0.44 -0.25 0.00 0.00 175.52 175.37 1bj9 h ASP 235 N 0.22 0.44 -0.99 5.36 3.32 -1.04 -3.19 116.42 120.55 1bj9 h ASP 235 Ca 0.04 -0.54 0.06 0.00 0.02 0.00 0.00 57.03 56.62 1bj9 h ASP 235 Cb 0.38 -0.13 -0.07 0.00 0.22 0.00 0.00 39.33 39.74 1bj9 h ASP 235 CO 0.02 0.89 0.64 0.22 -1.72 0.00 0.00 179.24 179.29 1bj9 h TYR 236 N -0.00 1.18 -0.19 4.55 3.20 -0.10 -1.93 116.97 123.68 1bj9 h TYR 236 Ca 0.01 0.03 0.06 0.00 3.14 0.00 0.00 58.73 61.97 1bj9 h TYR 236 Cb 0.81 -0.39 -0.01 0.00 1.54 0.00 0.00 36.73 38.68 1bj9 h TYR 236 CO 0.10 0.61 0.42 0.66 -1.64 0.00 0.00 178.16 178.31 1bj9 h SER 237 N 1.16 0.00 0.40 -2.11 4.64 -0.88 0.67 113.55 117.43 1bj9 h SER 237 Ca 0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.75 1bj9 h SER 237 Cb 0.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.25 1bj9 h SER 237 CO -0.17 0.00 0.00 -0.07 -0.87 0.00 0.00 176.83 175.72 1bj9 h LEU 238 N 0.00 0.00 -0.73 5.97 3.38 -1.45 -1.21 115.31 121.27 1bj9 h LEU 238 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1bj9 h LEU 238 Cb 0.94 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.69 1bj9 h LEU 238 CO -0.00 0.00 -0.35 2.30 0.09 0.00 0.00 178.44 180.48 1bj9 n ILE 239 N -2.47 0.00 0.04 1.22 -5.35 0.22 -2.07 119.36 110.96 1bj9 n ILE 239 Ca -0.00 -0.32 -0.15 0.00 -0.27 0.00 0.00 62.75 62.01 1bj9 n ILE 239 Cb 0.14 1.15 -0.14 0.00 -1.74 0.00 0.00 39.64 39.05 1bj9 n ILE 239 CO 0.00 0.00 0.00 1.56 -1.76 0.00 0.00 176.55 176.35 1bj9 h GLN 240 N 1.38 0.17 -5.79 6.28 4.20 -1.24 -3.45 115.11 116.66 1bj9 h GLN 240 Ca 0.00 -0.29 -0.57 0.00 0.06 0.00 0.00 58.65 57.84 1bj9 h GLN 240 Cb 0.47 0.11 -0.07 0.00 0.30 0.00 0.00 27.48 28.28 1bj9 h GLN 240 CO 0.00 0.98 -0.11 0.34 -0.67 0.00 0.00 178.83 179.37 1bj9 s ASP 241 N -6.76 6.74 0.21 1.46 -1.08 -0.80 -4.97 116.67 111.47 1bj9 s ASP 241 Ca -0.09 0.88 -0.09 0.00 -0.52 0.00 0.00 52.55 52.73 1bj9 s ASP 241 Cb 0.07 -2.30 0.29 0.00 -1.46 0.00 0.00 42.92 39.51 1bj9 s ASP 241 CO 0.83 -0.01 1.74 -0.65 0.52 0.00 0.00 175.17 177.60 1bj9 h PRO 242 N 6.66 0.37 -0.14 4.34 0.11 -1.90 0.51 132.00 141.95 1bj9 h PRO 242 Ca -0.41 -0.02 -0.15 0.00 0.11 0.00 0.00 66.00 65.52 1bj9 h PRO 242 Cb 1.18 -0.08 0.01 0.00 0.11 0.00 0.00 31.00 32.22 1bj9 h PRO 242 CO 0.75 0.24 -0.50 0.87 -0.21 0.00 0.00 178.00 179.15 1bj9 h LYS 243 N 0.38 0.59 -0.23 1.05 1.57 -1.94 -3.11 116.57 114.87 1bj9 h LYS 243 Ca 0.31 -0.45 -0.01 0.00 -1.87 0.00 0.00 60.65 58.64 1bj9 h LYS 243 Cb 0.40 0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.78 1bj9 h LYS 243 CO -0.33 1.07 0.12 1.88 -0.57 0.00 0.00 179.45 181.62 1bj9 h TYR 244 N 0.23 0.32 -1.00 -1.35 0.05 -1.64 -3.16 116.97 110.43 1bj9 h TYR 244 Ca -0.02 -0.01 0.20 0.00 0.05 0.00 0.00 58.73 58.94 1bj9 h TYR 244 Cb 1.13 -0.10 -0.10 0.00 1.01 0.00 0.00 36.73 38.66 1bj9 h TYR 244 CO 0.10 0.29 0.61 1.25 -1.05 0.00 0.00 178.16 179.37 1bj9 h LEU 245 N 0.26 0.74 -0.72 3.88 5.85 0.59 0.75 115.31 126.66 1bj9 h LEU 245 Ca 0.08 0.10 -0.02 0.00 0.84 0.00 0.00 57.88 58.88 1bj9 h LEU 245 Cb 0.08 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.07 1bj9 h LEU 245 CO -0.01 0.25 -0.10 0.77 -0.34 0.00 0.00 178.44 179.01 1bj9 h SER 246 N 0.72 0.00 0.06 1.25 4.64 -1.50 -1.49 113.55 117.23 1bj9 h SER 246 Ca 0.58 0.00 -0.28 0.00 -0.47 0.00 0.00 61.79 61.61 1bj9 h SER 246 Cb 0.96 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 63.08 1bj9 h SER 246 CO -0.37 0.10 -1.15 0.40 -0.87 0.00 0.00 176.83 174.94 1bj9 h ILE 247 N 0.00 1.28 -0.45 0.95 2.04 -0.96 -2.39 117.51 117.97 1bj9 h ILE 247 Ca -0.00 -2.35 0.08 0.00 1.00 0.00 0.00 64.86 63.58 1bj9 h ILE 247 Cb 0.83 2.55 -0.06 0.00 -0.74 0.00 0.00 36.82 39.39 1bj9 h ILE 247 CO 0.01 0.72 0.07 0.58 0.00 0.00 0.00 178.15 179.53 1bj9 h VAL 248 N 0.33 0.73 -0.30 1.67 2.07 -0.98 -0.65 116.25 119.12 1bj9 h VAL 248 Ca -0.16 -0.07 -0.04 0.00 0.82 0.00 0.00 66.70 67.25 1bj9 h VAL 248 Cb 1.81 0.52 -0.02 0.00 -1.52 0.00 0.00 31.29 32.09 1bj9 h VAL 248 CO 0.22 0.04 0.03 0.11 0.02 0.00 0.00 177.57 177.99 1bj9 h LYS 249 N 0.19 0.44 -0.33 1.57 1.57 -1.23 0.13 116.57 118.92 1bj9 h LYS 249 Ca 0.22 -0.08 -0.12 0.00 -1.87 0.00 0.00 60.65 58.80 1bj9 h LYS 249 Cb 0.30 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.52 1bj9 h LYS 249 CO -0.31 0.45 -0.29 1.49 -0.57 0.00 0.00 179.45 180.22 1bj9 h GLU 250 N 0.43 0.68 -0.02 3.15 4.81 -0.63 -1.09 114.58 121.91 1bj9 h GLU 250 Ca 0.10 -0.30 -0.19 0.00 -0.13 0.00 0.00 59.36 58.84 1bj9 h GLU 250 Cb 0.25 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.60 1bj9 h GLU 250 CO 0.00 0.89 -0.81 1.88 -0.73 0.00 0.00 179.01 180.24 1bj9 h TYR 251 N 0.58 0.39 0.00 0.92 0.05 -0.66 -0.72 116.97 117.53 1bj9 h TYR 251 Ca 0.07 -0.20 -0.04 0.00 0.05 0.00 0.00 58.73 58.61 1bj9 h TYR 251 Cb 0.79 -0.05 -0.01 0.00 1.01 0.00 0.00 36.73 38.47 1bj9 h TYR 251 CO 0.04 0.97 -0.20 0.00 -1.05 0.00 0.00 178.16 177.92 1bj9 h ALA 252 N 0.97 1.52 0.00 3.88 0.00 -0.52 -3.02 119.26 122.08 1bj9 h ALA 252 Ca -0.04 -0.18 -0.15 0.00 0.00 0.00 0.00 54.91 54.54 1bj9 h ALA 252 Cb 1.41 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 19.14 1bj9 h ALA 252 CO 0.13 0.25 -1.43 0.09 0.00 0.00 0.00 179.25 178.29 1bj9 n ASN 253 N -4.09 0.78 -3.49 0.00 4.13 -0.43 -4.80 115.26 107.36 1bj9 n ASN 253 Ca -0.02 0.34 -0.27 0.00 1.68 0.00 0.00 54.58 56.30 1bj9 n ASN 253 Cb 0.28 0.33 -0.13 0.00 -1.54 0.00 0.00 39.78 38.71 1bj9 n ASN 253 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 1bj9 s ASP 254 N -5.65 3.07 0.46 6.41 2.15 -0.32 -4.98 116.67 117.82 1bj9 s ASP 254 Ca -0.03 -1.54 0.18 0.00 0.43 0.00 0.00 52.55 51.58 1bj9 s ASP 254 Cb 0.09 -0.24 1.15 0.00 -0.30 0.00 0.00 42.92 43.62 1bj9 s ASP 254 CO 0.81 -0.39 1.98 -0.61 -0.17 0.00 0.00 175.17 176.80 1bj9 h GLN 255 N 7.89 0.26 -0.15 4.34 4.15 -1.86 -1.57 115.11 128.17 1bj9 h GLN 255 Ca -0.10 -0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.29 1bj9 h GLN 255 Cb 1.01 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 28.63 1bj9 h GLN 255 CO 0.36 0.18 0.04 -0.44 -1.93 0.00 0.00 178.83 177.03 1bj9 h ASP 256 N 0.27 0.23 -0.26 -0.69 3.45 -1.93 -0.08 116.42 117.41 1bj9 h ASP 256 Ca 0.28 -0.23 0.04 0.00 0.43 0.00 0.00 57.03 57.54 1bj9 h ASP 256 Cb 0.72 -0.06 -0.03 0.00 -0.56 0.00 0.00 39.33 39.40 1bj9 h ASP 256 CO -0.06 0.40 0.04 0.50 -1.57 0.00 0.00 179.24 178.55 1bj9 h LYS 257 N 0.05 0.13 -0.33 3.56 1.63 -1.69 -1.66 116.57 118.25 1bj9 h LYS 257 Ca 0.05 -0.01 0.05 0.00 -0.85 0.00 0.00 60.65 59.89 1bj9 h LYS 257 Cb 0.26 -0.03 -0.05 0.00 -0.60 0.00 0.00 32.23 31.81 1bj9 h LYS 257 CO 0.00 0.08 0.04 0.35 -3.45 0.00 0.00 179.45 176.47 1bj9 h PHE 258 N 0.13 0.06 -0.21 1.91 3.57 -1.20 0.24 116.94 121.44 1bj9 h PHE 258 Ca 0.12 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.64 1bj9 h PHE 258 Cb 0.13 0.03 -0.01 0.00 2.79 0.00 0.00 35.95 38.88 1bj9 h PHE 258 CO -0.17 -0.02 0.14 0.74 -2.23 0.00 0.00 178.31 176.78 1bj9 h PHE 259 N 0.14 0.26 0.00 0.41 -1.00 -0.58 0.14 116.94 116.32 1bj9 h PHE 259 Ca 0.16 0.01 0.02 0.00 2.81 0.00 0.00 57.97 60.96 1bj9 h PHE 259 Cb 0.20 -0.09 -0.02 0.00 3.61 0.00 0.00 35.95 39.65 1bj9 h PHE 259 CO -0.21 0.17 -0.10 0.87 -1.61 0.00 0.00 178.31 177.43 1bj9 h LYS 260 N 0.29 -0.17 -0.76 1.51 1.57 -0.84 -0.56 116.57 117.59 1bj9 h LYS 260 Ca 0.08 0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 58.83 1bj9 h LYS 260 Cb -0.03 0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.28 1bj9 h LYS 260 CO -0.02 -0.12 0.31 -0.44 -0.57 0.00 0.00 179.45 178.62 1bj9 h ASP 261 N -0.18 1.04 -0.27 0.86 5.19 -0.83 -2.47 116.42 119.76 1bj9 h ASP 261 Ca 0.04 -0.15 -0.00 0.00 -0.62 0.00 0.00 57.03 56.30 1bj9 h ASP 261 Cb 0.23 -0.27 -0.01 0.00 0.18 0.00 0.00 39.33 39.45 1bj9 h ASP 261 CO -0.10 0.92 0.17 0.15 -3.12 0.00 0.00 179.24 177.25 1bj9 h PHE 262 N 1.11 0.36 0.19 4.55 3.57 -0.32 -1.77 116.94 124.62 1bj9 h PHE 262 Ca 0.26 0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.77 1bj9 h PHE 262 Cb 0.19 -0.12 -0.04 0.00 2.79 0.00 0.00 35.95 38.78 1bj9 h PHE 262 CO 0.02 0.26 -0.38 1.03 -2.23 0.00 0.00 178.31 177.01 1bj9 h SER 263 N 0.35 -1.10 -0.59 0.41 0.87 -0.96 0.12 113.55 112.65 1bj9 h SER 263 Ca 0.10 0.12 0.05 0.00 -1.23 0.00 0.00 61.79 60.82 1bj9 h SER 263 Cb 0.00 0.40 -0.05 0.00 -0.44 0.00 0.00 62.40 62.32 1bj9 h SER 263 CO -0.02 -0.48 0.33 0.11 -0.53 0.00 0.00 176.83 176.24 1bj9 h LYS 264 N -0.66 0.61 -0.30 2.24 1.57 -1.37 -2.40 116.57 116.26 1bj9 h LYS 264 Ca 0.01 -0.04 -0.12 0.00 -1.87 0.00 0.00 60.65 58.64 1bj9 h LYS 264 Cb 0.66 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.82 1bj9 h LYS 264 CO -0.18 0.40 -0.30 0.00 -0.57 0.00 0.00 179.45 178.80 1bj9 h ALA 265 N 1.30 0.92 -0.41 3.86 0.00 -0.81 -1.60 119.26 122.51 1bj9 h ALA 265 Ca 0.26 -0.39 -0.08 0.00 0.00 0.00 0.00 54.91 54.69 1bj9 h ALA 265 Cb 0.12 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1bj9 h ALA 265 CO -0.15 0.62 -0.07 0.35 0.00 0.00 0.00 179.25 179.99 1bj9 h PHE 266 N 0.53 0.86 -0.21 0.00 3.57 -0.59 0.26 116.94 121.37 1bj9 h PHE 266 Ca 0.06 -0.18 -0.01 0.00 3.53 0.00 0.00 57.97 61.38 1bj9 h PHE 266 Cb 0.79 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 39.30 1bj9 h PHE 266 CO 0.03 0.88 0.10 1.49 -2.23 0.00 0.00 178.31 178.59 1bj9 h GLU 267 N 0.59 0.30 -0.75 1.11 4.81 -1.39 0.26 114.58 119.51 1bj9 h GLU 267 Ca 0.11 -0.04 0.08 0.00 -0.13 0.00 0.00 59.36 59.37 1bj9 h GLU 267 Cb 0.59 -0.05 -0.06 0.00 0.63 0.00 0.00 28.75 29.85 1bj9 h GLU 267 CO 0.04 0.32 0.42 -0.22 -0.73 0.00 0.00 179.01 178.83 1bj9 h LYS 268 N 0.21 0.71 -0.86 1.92 3.64 -1.07 -0.26 116.57 120.86 1bj9 h LYS 268 Ca 0.07 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1bj9 h LYS 268 Cb 0.12 -0.16 -0.04 0.00 -0.41 0.00 0.00 32.23 31.73 1bj9 h LYS 268 CO -0.01 0.47 0.55 1.25 -2.27 0.00 0.00 179.45 179.44 1bj9 h LEU 269 N 0.73 1.01 -0.06 5.20 5.85 0.16 -1.37 115.31 126.82 1bj9 h LEU 269 Ca 0.35 -0.04 0.00 0.00 0.84 0.00 0.00 57.88 59.03 1bj9 h LEU 269 Cb 0.28 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.05 1bj9 h LEU 269 CO -0.22 0.75 0.00 0.18 -0.34 0.00 0.00 178.44 178.81 1bj9 n LEU 270 N -4.46 0.31 -0.58 2.25 4.77 0.02 -3.24 117.00 116.07 1bj9 n LEU 270 Ca 0.09 0.54 0.07 0.00 -0.03 0.00 0.00 56.01 56.68 1bj9 n LEU 270 Cb 0.03 -0.45 0.08 0.00 -2.33 0.00 0.00 43.42 40.75 1bj9 n LEU 270 CO 0.37 -0.14 0.50 -0.62 -1.33 0.00 0.00 177.39 176.17 1bj9 n GLU 271 N -1.80 1.20 -1.95 3.23 1.02 -0.20 -4.72 120.64 117.42 1bj9 n GLU 271 Ca 0.06 -1.45 -0.41 0.00 -0.02 0.00 0.00 57.16 55.34 1bj9 n GLU 271 Cb 0.34 -1.27 -0.01 0.00 -0.02 0.00 0.00 31.44 30.48 1bj9 n GLU 271 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1bj9 s ASP 272 N -1.10 6.55 0.00 1.62 1.01 -0.57 -2.17 116.67 122.01 1bj9 s ASP 272 Ca 0.18 2.86 0.00 0.00 0.71 0.00 0.00 52.55 56.30 1bj9 s ASP 272 Cb 0.12 -2.65 0.00 0.00 1.01 0.00 0.00 42.92 41.39 1bj9 s ASP 272 CO 0.17 -0.73 0.00 0.61 0.21 0.00 0.00 175.17 175.44 1bj9 n GLY 273 N 0.89 1.48 3.59 0.21 0.00 -1.26 -4.51 105.19 105.59 1bj9 n GLY 273 Ca 0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.70 1bj9 n GLY 273 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1bj9 s ILE 274 N -2.95 3.86 -0.25 -0.61 1.01 -0.92 -4.29 121.20 117.04 1bj9 s ILE 274 Ca 0.00 -0.41 -0.10 0.00 0.00 0.00 0.00 60.65 60.14 1bj9 s ILE 274 Cb 0.00 -2.60 -0.05 0.00 0.01 0.00 0.00 42.46 39.82 1bj9 s ILE 274 CO 0.00 0.59 0.15 -0.89 0.00 0.00 0.00 174.94 174.78 1bj9 s THR 275 N -0.65 5.11 -0.33 2.92 2.01 0.11 -4.98 115.64 119.83 1bj9 s THR 275 Ca 0.10 0.10 -0.10 0.00 0.31 0.00 0.00 61.69 62.10 1bj9 s THR 275 Cb -0.12 -3.40 0.00 0.00 0.01 0.00 0.00 72.50 69.00 1bj9 s THR 275 CO 0.02 0.32 0.16 -0.36 -0.69 0.00 0.00 174.62 174.06 1bj9 s PHE 276 N 1.36 3.19 0.87 4.92 0.08 -1.26 -1.07 117.98 126.06 1bj9 s PHE 276 Ca 0.07 -0.74 -0.12 0.00 0.12 0.00 0.00 56.93 56.25 1bj9 s PHE 276 Cb -0.15 -2.36 0.08 0.00 -0.57 0.00 0.00 43.02 40.03 1bj9 s PHE 276 CO 0.06 -0.52 0.95 -2.30 -0.10 0.00 0.00 175.22 173.31 1bj9 n PRO 277 N 4.97 -0.12 -0.35 0.24 -0.02 -1.26 -4.87 135.00 133.59 1bj9 n PRO 277 Ca -0.13 0.03 0.08 0.00 -2.02 0.00 0.00 63.50 61.46 1bj9 n PRO 277 Cb 0.48 -2.24 0.25 0.00 -0.02 0.00 0.00 33.50 31.97 1bj9 n PRO 277 CO 0.00 0.00 0.00 1.57 1.98 0.00 0.00 175.50 179.05 1bj9 h LYS 278 N -1.32 0.87 -0.03 -0.52 2.10 -2.01 -1.26 116.57 114.40 1bj9 h LYS 278 Ca -0.45 -0.05 0.00 0.00 -2.00 0.00 0.00 60.65 58.15 1bj9 h LYS 278 Cb 1.29 -0.20 0.00 0.00 -0.90 0.00 0.00 32.23 32.42 1bj9 h LYS 278 CO 0.41 0.58 0.00 -0.40 -2.00 0.00 0.00 179.45 178.04 1bj9 n ASP 279 N -4.68 0.56 -4.76 7.07 5.75 -1.26 -4.91 116.55 114.31 1bj9 n ASP 279 Ca 0.19 -1.36 -0.38 0.00 -0.01 0.00 0.00 54.79 53.24 1bj9 n ASP 279 Cb 0.40 -0.02 0.02 0.00 -1.03 0.00 0.00 41.12 40.49 1bj9 n ASP 279 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1bj9 s ALA 280 N -1.96 2.88 0.74 2.12 0.00 -0.48 -4.97 121.76 120.09 1bj9 s ALA 280 Ca 0.36 1.14 -0.13 0.00 0.00 0.00 0.00 51.96 53.34 1bj9 s ALA 280 Cb 0.18 -3.48 0.04 0.00 0.00 0.00 0.00 23.12 19.86 1bj9 s ALA 280 CO 0.29 -1.04 1.11 -1.25 0.00 0.00 0.00 175.76 174.87 1bj9 s PRO 281 N -2.83 2.36 1.08 0.00 0.04 -1.26 -4.97 135.00 129.43 1bj9 s PRO 281 Ca 0.68 1.33 -0.13 0.00 0.04 0.00 0.00 61.00 62.92 1bj9 s PRO 281 Cb -0.35 -1.90 0.24 0.00 0.04 0.00 0.00 34.50 32.53 1bj9 s PRO 281 CO 0.41 -1.59 1.07 -1.12 0.04 0.00 0.00 177.00 175.81 1bj9 s SER 282 N -2.92 1.82 0.45 6.66 0.01 -1.26 -4.93 113.70 113.54 1bj9 s SER 282 Ca 0.65 1.23 -0.23 0.00 1.31 0.00 0.00 55.95 58.91 1bj9 s SER 282 Cb -0.20 -1.92 -0.07 0.00 0.21 0.00 0.00 66.02 64.04 1bj9 s SER 282 CO 0.50 -3.64 1.17 -2.84 0.41 0.00 0.00 173.24 168.84 1bj9 s PRO 283 N -4.82 3.78 0.09 12.44 0.02 -1.26 -4.94 135.00 140.31 1bj9 s PRO 283 Ca 0.67 1.79 -0.07 0.00 0.02 0.00 0.00 61.00 63.41 1bj9 s PRO 283 Cb -0.20 -2.43 -0.06 0.00 0.02 0.00 0.00 34.50 31.83 1bj9 s PRO 283 CO 0.60 -0.54 0.37 -0.06 -0.33 0.00 0.00 177.00 177.04 1bj9 s PHE 284 N -1.53 3.53 -0.31 6.54 0.08 0.34 -4.80 117.98 121.83 1bj9 s PHE 284 Ca 0.63 0.66 -0.02 0.00 0.12 0.00 0.00 56.93 58.31 1bj9 s PHE 284 Cb -0.29 -2.07 0.05 0.00 -0.57 0.00 0.00 43.02 40.15 1bj9 s PHE 284 CO 0.35 0.50 0.03 0.42 -0.10 0.00 0.00 175.22 176.42 1bj9 s ILE 285 N -1.49 3.09 0.46 0.64 1.09 -1.26 -1.30 121.20 122.43 1bj9 s ILE 285 Ca 0.36 -1.42 -0.20 0.00 -1.10 0.00 0.00 60.65 58.28 1bj9 s ILE 285 Cb -0.13 -2.81 -0.10 0.00 -1.06 0.00 0.00 42.46 38.36 1bj9 s ILE 285 CO 0.20 -0.17 0.99 -0.36 -0.10 0.00 0.00 174.94 175.51 1bj9 s PHE 286 N 1.26 3.18 0.28 3.97 0.08 -1.26 -5.04 117.98 120.45 1bj9 s PHE 286 Ca -0.04 1.59 -0.19 0.00 0.12 0.00 0.00 56.93 58.42 1bj9 s PHE 286 Cb -0.20 -2.94 -0.09 0.00 -0.57 0.00 0.00 43.02 39.22 1bj9 s PHE 286 CO -0.01 -0.43 0.77 0.15 -0.10 0.00 0.00 175.22 175.59 1bj9 s LYS 287 N -3.26 4.19 0.87 0.44 1.02 -1.26 -5.01 119.74 116.73 1bj9 s LYS 287 Ca 0.64 0.86 -0.13 0.00 0.02 0.00 0.00 55.97 57.36 1bj9 s LYS 287 Cb -0.12 -2.65 0.14 0.00 -0.52 0.00 0.00 37.83 34.67 1bj9 s LYS 287 CO 0.17 0.26 1.23 0.95 -0.92 0.00 0.00 175.35 177.05 1bj9 s THR 288 N -1.75 2.02 0.14 2.17 -4.23 -1.26 -4.88 115.64 107.85 1bj9 s THR 288 Ca 0.49 -0.03 -0.17 0.00 -1.18 0.00 0.00 61.69 60.79 1bj9 s THR 288 Cb -0.14 -2.99 -0.01 0.00 1.34 0.00 0.00 72.50 70.70 1bj9 s THR 288 CO 0.19 0.00 1.78 -0.07 -0.54 0.00 0.00 174.62 175.98 1bj9 h LEU 289 N -1.30 0.26 -1.30 4.79 3.38 -1.96 -1.88 115.31 117.30 1bj9 h LEU 289 Ca -0.45 0.01 0.07 0.00 0.09 0.00 0.00 57.88 57.60 1bj9 h LEU 289 Cb 1.28 -0.04 -0.05 0.00 0.09 0.00 0.00 40.66 41.94 1bj9 h LEU 289 CO 0.52 0.19 0.52 -0.08 0.09 0.00 0.00 178.44 179.67 1bj9 h GLU 290 N 0.35 0.81 0.00 1.13 4.81 -1.92 0.14 114.58 119.88 1bj9 h GLU 290 Ca 0.13 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.28 1bj9 h GLU 290 Cb 0.03 -0.18 -0.00 0.00 0.63 0.00 0.00 28.75 29.22 1bj9 h GLU 290 CO -0.08 0.53 -0.13 0.93 -0.73 0.00 0.00 179.01 179.54 1bj9 h GLU 291 N 0.83 0.00 -0.04 1.92 5.08 -1.70 -2.47 114.58 118.20 1bj9 h GLU 291 Ca 0.35 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.71 1bj9 h GLU 291 Cb 0.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.53 1bj9 h GLU 291 CO -0.13 0.13 0.00 1.04 -1.00 0.00 0.00 179.01 179.05 1bj9 n GLN 292 N -3.26 1.92 -1.77 2.33 6.02 0.35 -4.93 117.38 118.04 1bj9 n GLN 292 Ca 0.01 -1.34 -0.10 0.00 -0.01 0.00 0.00 57.00 55.56 1bj9 n GLN 292 Cb 0.40 -1.47 -0.02 0.00 1.02 0.00 0.00 30.24 30.16 1bj9 n GLN 292 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1bj9 n GLY 293 N 1.24 0.52 0.74 1.08 0.00 -0.45 -5.08 105.19 103.24 1bj9 n GLY 293 Ca 0.17 -0.51 0.09 0.00 0.00 0.00 0.00 46.02 45.77 1bj9 n GLY 293 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36