#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sbm n THR 2 N 0.00 0.84 -1.62 12.58 -1.04 -1.26 -4.81 114.28 118.98 1sbm n THR 2 Ca 0.00 -0.21 -0.55 0.00 -2.04 0.00 0.00 64.05 61.25 1sbm n THR 2 Cb 0.00 -1.46 -0.07 0.00 -1.82 0.00 0.00 70.33 66.98 1sbm n THR 2 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 1sbm n PRO 3 N 2.16 1.19 -1.97 -2.82 -0.02 -1.26 -4.92 135.00 127.36 1sbm n PRO 3 Ca 0.12 0.41 -0.32 0.00 -2.02 0.00 0.00 63.50 61.69 1sbm n PRO 3 Cb 0.31 -2.22 0.02 0.00 -0.02 0.00 0.00 33.50 31.58 1sbm n PRO 3 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1sbm s LEU 4 N 4.68 3.43 -0.19 2.45 1.02 -1.26 -5.03 118.68 123.78 1sbm s LEU 4 Ca 1.02 1.77 -0.03 0.00 0.02 0.00 0.00 54.13 56.91 1sbm s LEU 4 Cb -1.00 -4.53 -0.01 0.00 0.02 0.00 0.00 46.19 40.67 1sbm s LEU 4 CO 0.60 -1.20 -0.05 -0.69 0.02 0.00 0.00 176.35 175.03 1sbm s VAL 5 N -2.57 3.43 -0.50 -1.59 1.01 -1.26 -4.84 120.40 114.09 1sbm s VAL 5 Ca 0.62 -0.49 -0.12 0.00 0.00 0.00 0.00 61.98 62.00 1sbm s VAL 5 Cb -0.15 -2.53 0.12 0.00 0.00 0.00 0.00 36.38 33.81 1sbm s VAL 5 CO 0.40 0.45 0.40 -1.00 0.00 0.00 0.00 175.10 175.35 1sbm s HIS 6 N 1.09 3.35 -0.13 5.22 3.76 -1.26 -5.04 115.29 122.29 1sbm s HIS 6 Ca 0.01 -1.62 -0.23 0.00 -0.15 0.00 0.00 55.06 53.07 1sbm s HIS 6 Cb -0.15 -3.60 -0.03 0.00 1.11 0.00 0.00 32.58 29.92 1sbm s HIS 6 CO -0.00 -1.00 0.69 0.08 -0.85 0.00 0.00 174.74 173.66 1sbm s VAL 7 N 1.46 5.01 0.23 -0.90 1.01 -1.26 -0.51 120.40 125.44 1sbm s VAL 7 Ca 0.05 1.38 -0.31 0.00 0.00 0.00 0.00 61.98 63.10 1sbm s VAL 7 Cb -0.28 -4.02 -0.11 0.00 0.00 0.00 0.00 36.38 31.97 1sbm s VAL 7 CO 0.01 0.17 1.59 0.00 0.00 0.00 0.00 175.10 176.87 1sbm s ALA 8 N 1.38 3.78 -0.22 5.51 0.00 -0.05 -4.87 121.76 127.28 1sbm s ALA 8 Ca 0.35 1.48 -0.01 0.00 0.00 0.00 0.00 51.96 53.77 1sbm s ALA 8 Cb -0.17 -3.64 0.06 0.00 0.00 0.00 0.00 23.12 19.38 1sbm s ALA 8 CO 0.14 -0.87 -0.01 0.45 0.00 0.00 0.00 175.76 175.48 1sbm s SER 9 N 0.82 3.41 0.15 0.00 0.15 0.38 -4.70 113.70 113.91 1sbm s SER 9 Ca 0.67 -1.03 -0.33 0.00 0.70 0.00 0.00 55.95 55.96 1sbm s SER 9 Cb -0.46 -0.89 -0.13 0.00 -1.71 0.00 0.00 66.02 62.83 1sbm s SER 9 CO 0.38 -0.28 1.65 0.52 1.20 0.00 0.00 173.24 176.72 1sbm n VAL 10 N 4.86 0.07 -1.65 4.45 0.31 -1.26 -4.26 118.33 120.84 1sbm n VAL 10 Ca -0.10 -0.01 -0.49 0.00 -0.01 0.00 0.00 64.34 63.72 1sbm n VAL 10 Cb 0.45 -1.70 -0.05 0.00 -0.91 0.00 0.00 33.84 31.63 1sbm n VAL 10 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1sbm n GLU 11 N 3.92 1.74 -1.04 5.55 4.71 -1.26 -4.64 120.64 129.63 1sbm n GLU 11 Ca 0.17 0.63 -0.46 0.00 -0.01 0.00 0.00 57.16 57.50 1sbm n GLU 11 Cb 0.31 -2.36 -0.08 0.00 -1.01 0.00 0.00 31.44 28.29 1sbm n GLU 11 CO 0.00 0.00 0.00 1.17 0.09 0.00 0.00 177.13 178.39 1sbm n LYS 12 N 3.74 0.00 -0.83 3.49 3.00 -1.26 -1.11 118.16 125.19 1sbm n LYS 12 Ca 0.19 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.50 1sbm n LYS 12 Cb 0.24 -1.10 0.00 0.00 0.00 0.00 0.00 35.03 34.18 1sbm n LYS 12 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1sbm n GLY 13 N 4.62 0.33 3.84 3.14 0.00 -1.26 -5.00 105.19 110.86 1sbm n GLY 13 Ca 0.34 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.04 1sbm n GLY 13 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1sbm s ARG 14 N -0.82 4.07 0.22 1.61 1.81 -0.26 -5.08 118.95 120.50 1sbm s ARG 14 Ca 0.00 0.92 0.04 0.00 -1.72 0.00 0.00 55.73 54.97 1sbm s ARG 14 Cb 0.00 -2.25 -0.02 0.00 -0.45 0.00 0.00 34.95 32.23 1sbm s ARG 14 CO 0.00 -0.04 0.20 -1.13 -0.68 0.00 0.00 175.30 173.65 1sbm n SER 15 N -0.84 -0.52 -0.29 0.23 3.41 -1.26 -4.88 113.62 109.49 1sbm n SER 15 Ca 0.06 -2.40 0.03 0.00 -0.26 0.00 0.00 58.87 56.29 1sbm n SER 15 Cb 0.54 1.16 0.11 0.00 -0.26 0.00 0.00 64.21 65.76 1sbm n SER 15 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 175.04 175.10 1sbm h TYR 16 N 1.69 -0.39 -0.86 7.33 5.03 -2.00 -0.81 116.97 126.97 1sbm h TYR 16 Ca -0.16 0.07 0.07 0.00 2.58 0.00 0.00 58.73 61.30 1sbm h TYR 16 Cb 0.78 0.30 -0.06 0.00 1.55 0.00 0.00 36.73 39.30 1sbm h TYR 16 CO 0.00 -0.34 0.56 0.93 -1.32 0.00 0.00 178.16 177.98 1sbm h GLU 17 N 0.01 0.89 -0.39 1.82 5.08 -1.99 0.25 114.58 120.25 1sbm h GLU 17 Ca 0.40 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.68 1sbm h GLU 17 Cb 0.62 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.66 1sbm h GLU 17 CO -0.83 0.59 0.15 -0.44 -1.00 0.00 0.00 179.01 177.48 1sbm h ASP 18 N 0.92 0.53 0.71 1.42 5.19 -1.55 -2.23 116.42 121.40 1sbm h ASP 18 Ca 0.38 -0.17 -0.12 0.00 -0.62 0.00 0.00 57.03 56.50 1sbm h ASP 18 Cb 0.28 -0.14 -0.02 0.00 0.18 0.00 0.00 39.33 39.63 1sbm h ASP 18 CO -0.14 0.56 -0.55 -0.26 -3.12 0.00 0.00 179.24 175.72 1sbm h PHE 19 N 0.48 0.00 -0.22 4.55 -1.00 -1.21 -2.61 116.94 116.92 1sbm h PHE 19 Ca 0.13 0.00 -0.07 0.00 2.81 0.00 0.00 57.97 60.84 1sbm h PHE 19 Cb 0.19 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.74 1sbm h PHE 19 CO -0.00 0.55 -0.18 0.37 -1.61 0.00 0.00 178.31 177.45 1sbm h GLN 20 N 0.00 0.39 -0.48 1.51 5.75 -0.75 -0.12 115.11 121.41 1sbm h GLN 20 Ca -0.01 -0.12 -0.10 0.00 -0.15 0.00 0.00 58.65 58.27 1sbm h GLN 20 Cb 1.06 -0.04 -0.02 0.00 1.07 0.00 0.00 27.48 29.55 1sbm h GLN 20 CO 0.07 0.56 -0.12 0.87 -2.65 0.00 0.00 178.83 177.56 1sbm h LYS 21 N 0.36 0.88 -0.35 1.69 1.57 -1.04 0.52 116.57 120.20 1sbm h LYS 21 Ca 0.06 -0.31 -0.10 0.00 -1.87 0.00 0.00 60.65 58.43 1sbm h LYS 21 Cb 0.52 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.76 1sbm h LYS 21 CO 0.03 0.95 -0.17 0.28 -0.57 0.00 0.00 179.45 179.98 1sbm h VAL 22 N 0.79 1.29 -0.27 0.50 2.07 -1.18 -1.37 116.25 118.08 1sbm h VAL 22 Ca 0.13 -1.28 0.04 0.00 0.82 0.00 0.00 66.70 66.41 1sbm h VAL 22 Cb 0.64 1.38 -0.04 0.00 -1.52 0.00 0.00 31.29 31.75 1sbm h VAL 22 CO 0.04 0.42 0.03 0.22 0.02 0.00 0.00 177.57 178.31 1sbm h TYR 23 N 0.51 0.05 -0.95 1.57 3.20 -0.80 -1.33 116.97 119.22 1sbm h TYR 23 Ca 0.08 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.97 1sbm h TYR 23 Cb 0.70 0.02 -0.05 0.00 1.54 0.00 0.00 36.73 38.94 1sbm h TYR 23 CO 0.06 -0.00 0.60 -0.91 -1.64 0.00 0.00 178.16 176.27 1sbm h ASN 24 N 0.13 1.12 -0.44 -2.11 2.35 -0.71 0.86 115.58 116.78 1sbm h ASN 24 Ca 0.13 -0.05 -0.02 0.00 -0.55 0.00 0.00 56.30 55.81 1sbm h ASN 24 Cb 0.15 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.22 1sbm h ASN 24 CO -0.19 0.83 0.19 0.00 -1.65 0.00 0.00 177.43 176.62 1sbm h ALA 25 N 1.33 0.56 -0.24 -0.83 0.00 -0.75 0.23 119.26 119.56 1sbm h ALA 25 Ca 0.34 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 1sbm h ALA 25 Cb -0.10 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 1sbm h ALA 25 CO -0.07 0.15 0.13 0.82 0.00 0.00 0.00 179.25 180.27 1sbm h ILE 26 N 0.56 1.12 -0.80 0.00 2.04 -0.78 -1.62 117.51 118.03 1sbm h ILE 26 Ca 0.15 -0.33 -0.02 0.00 1.00 0.00 0.00 64.86 65.65 1sbm h ILE 26 Cb 0.15 0.91 -0.04 0.00 -0.74 0.00 0.00 36.82 37.11 1sbm h ILE 26 CO -0.02 0.12 0.41 0.00 0.00 0.00 0.00 178.15 178.66 1sbm h ALA 27 N 1.00 1.02 -0.36 1.87 0.00 -0.53 -1.03 119.26 121.22 1sbm h ALA 27 Ca 0.08 -0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.76 1sbm h ALA 27 Cb 0.08 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 1sbm h ALA 27 CO -0.01 0.56 -0.17 -0.07 0.00 0.00 0.00 179.25 179.56 1sbm h LEU 28 N 1.11 0.66 -0.75 0.00 3.38 -0.38 -2.32 115.31 117.01 1sbm h LEU 28 Ca 0.28 -0.21 -0.13 0.00 0.09 0.00 0.00 57.88 57.91 1sbm h LEU 28 Cb 0.08 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 1sbm h LEU 28 CO -0.04 0.84 -0.61 0.50 0.09 0.00 0.00 178.44 179.22 1sbm h LYS 29 N 0.60 0.00 -0.43 1.13 3.64 -0.92 -1.19 116.57 119.40 1sbm h LYS 29 Ca 0.10 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.41 1sbm h LYS 29 Cb 0.62 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.42 1sbm h LYS 29 CO 0.04 0.61 -0.01 -0.07 -2.27 0.00 0.00 179.45 177.76 1sbm h LEU 30 N 0.00 0.68 -0.21 5.20 3.38 -0.80 -0.45 115.31 123.11 1sbm h LEU 30 Ca -0.01 -0.16 -0.22 0.00 0.09 0.00 0.00 57.88 57.59 1sbm h LEU 30 Cb 1.10 -0.18 0.01 0.00 0.09 0.00 0.00 40.66 41.68 1sbm h LEU 30 CO 0.08 0.76 -0.76 -0.09 0.09 0.00 0.00 178.44 178.52 1sbm h ARG 31 N 0.67 0.75 -0.03 1.13 2.43 -1.12 -3.35 114.38 114.86 1sbm h ARG 31 Ca 0.13 -0.60 -0.01 0.00 -0.81 0.00 0.00 59.98 58.69 1sbm h ARG 31 Cb 0.43 0.12 -0.00 0.00 -0.42 0.00 0.00 29.97 30.10 1sbm h ARG 31 CO 0.02 1.21 -0.04 1.49 -1.51 0.00 0.00 179.97 181.14 1sbm h GLU 32 N 0.52 0.07 -2.38 0.20 4.57 -0.90 -3.32 114.58 113.33 1sbm h GLU 32 Ca -0.04 -0.04 -0.64 0.00 -1.18 0.00 0.00 59.36 57.45 1sbm h GLU 32 Cb 1.38 0.00 -0.14 0.00 -0.16 0.00 0.00 28.75 29.83 1sbm h GLU 32 CO 0.15 0.58 1.64 -0.25 -1.18 0.00 0.00 179.01 179.95 1sbm n ASP 33 N -4.77 7.43 0.00 1.04 10.43 -0.21 -4.69 116.55 125.78 1sbm n ASP 33 Ca -0.08 -3.15 0.11 0.00 2.57 0.00 0.00 54.79 54.24 1sbm n ASP 33 Cb 0.29 -1.32 0.51 0.00 1.84 0.00 0.00 41.12 42.45 1sbm n ASP 33 CO 0.00 0.00 0.00 -0.90 -1.07 0.00 0.00 177.20 175.23 1sbm n ASP 34 N 1.44 0.00 0.15 -2.24 5.75 -1.25 -3.67 116.55 116.73 1sbm n ASP 34 Ca 0.57 0.46 0.04 0.00 -0.01 0.00 0.00 54.79 55.86 1sbm n ASP 34 Cb 0.37 -0.48 0.05 0.00 -1.03 0.00 0.00 41.12 40.03 1sbm n ASP 34 CO 0.00 0.00 0.00 1.05 -0.11 0.00 0.00 177.20 178.14 1sbm h GLU 35 N 0.00 0.00 -6.23 0.11 9.09 -1.90 -3.36 114.58 112.29 1sbm h GLU 35 Ca 0.00 0.00 -0.65 0.00 0.05 0.00 0.00 59.36 58.76 1sbm h GLU 35 Cb 0.39 0.00 0.10 0.00 -1.65 0.00 0.00 28.75 27.59 1sbm h GLU 35 CO 0.00 0.39 -0.11 0.98 0.05 0.00 0.00 179.01 180.32 1sbm n TYR 36 N -3.18 0.53 -3.67 2.06 4.19 -1.24 -0.86 117.16 114.98 1sbm n TYR 36 Ca 0.02 0.83 -0.29 0.00 3.31 0.00 0.00 57.90 61.77 1sbm n TYR 36 Cb 0.70 -2.13 0.04 0.00 0.49 0.00 0.00 39.34 38.44 1sbm n TYR 36 CO 0.00 0.00 0.00 -3.47 0.91 0.00 0.00 176.86 174.30 1sbm n ASP 37 N 1.70 -4.75 -3.84 2.98 -0.08 -1.26 -1.67 116.55 109.63 1sbm n ASP 37 Ca 0.15 -0.98 -0.24 0.00 -1.51 0.00 0.00 54.79 52.21 1sbm n ASP 37 Cb 0.26 -3.53 0.01 0.00 2.34 0.00 0.00 41.12 40.20 1sbm n ASP 37 CO 0.00 0.00 0.00 0.59 0.12 0.00 0.00 177.20 177.91 1sbm n ASN 38 N -2.76 -0.93 -1.32 1.67 3.02 -1.16 -2.09 115.26 111.69 1sbm n ASN 38 Ca -0.12 -0.91 -0.16 0.00 -0.03 0.00 0.00 54.58 53.36 1sbm n ASN 38 Cb 0.61 -3.55 -0.05 0.00 -0.61 0.00 0.00 39.78 36.17 1sbm n ASN 38 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1sbm n TYR 39 N -4.35 -0.15 0.09 3.10 4.02 -0.04 -4.88 117.16 114.95 1sbm n TYR 39 Ca -0.28 0.00 -0.16 0.00 -0.01 0.00 0.00 57.90 57.44 1sbm n TYR 39 Cb 0.67 -2.83 -0.10 0.00 -0.02 0.00 0.00 39.34 37.06 1sbm n TYR 39 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 176.86 176.67 1sbm h ILE 40 N 0.00 1.41 0.00 -0.72 2.04 -0.77 -3.47 117.51 116.00 1sbm h ILE 40 Ca -0.33 -2.70 0.00 0.00 1.00 0.00 0.00 64.86 62.83 1sbm h ILE 40 Cb 1.07 2.70 0.00 0.00 -0.74 0.00 0.00 36.82 39.85 1sbm h ILE 40 CO 0.46 0.80 0.00 0.61 0.00 0.00 0.00 178.15 180.02 1sbm n GLY 41 N 1.29 0.59 0.10 5.37 0.00 -0.67 -4.65 105.19 107.22 1sbm n GLY 41 Ca -0.09 -1.86 0.15 0.00 0.00 0.00 0.00 46.02 44.22 1sbm n GLY 41 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1sbm n TYR 42 N 0.90 0.00 0.17 1.61 4.02 -1.26 -4.36 117.16 118.24 1sbm n TYR 42 Ca 0.00 0.00 -0.17 0.00 -0.01 0.00 0.00 57.90 57.72 1sbm n TYR 42 Cb 0.00 -0.02 -0.10 0.00 -0.02 0.00 0.00 39.34 39.20 1sbm n TYR 42 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 176.86 176.63 1sbm h GLY 43 N 4.97 -1.20 0.49 2.72 0.00 -1.93 -2.15 103.07 105.97 1sbm h GLY 43 Ca 0.00 0.63 0.06 0.00 0.00 0.00 0.00 47.33 48.03 1sbm h GLY 43 CO 0.00 -0.30 0.05 -2.55 0.00 0.00 0.00 176.54 173.74 1sbm h PRO 44 N -0.84 0.16 0.00 4.80 0.11 -1.88 -2.26 132.00 132.10 1sbm h PRO 44 Ca -0.02 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 66.04 1sbm h PRO 44 Cb 0.80 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 31.87 1sbm h PRO 44 CO -0.22 0.10 -0.18 -0.24 -0.21 0.00 0.00 178.00 177.25 1sbm h VAL 45 N 0.16 0.97 -0.08 3.15 3.04 -1.82 -1.06 116.25 120.62 1sbm h VAL 45 Ca 0.18 -0.65 -0.15 0.00 -1.01 0.00 0.00 66.70 65.07 1sbm h VAL 45 Cb 0.23 1.37 -0.01 0.00 -2.01 0.00 0.00 31.29 30.87 1sbm h VAL 45 CO -0.26 0.18 -0.60 -0.07 -1.01 0.00 0.00 177.57 175.81 1sbm h LEU 46 N 0.00 0.30 -0.25 3.16 3.38 -0.83 -0.24 115.31 120.84 1sbm h LEU 46 Ca -0.00 -0.17 -0.09 0.00 0.09 0.00 0.00 57.88 57.70 1sbm h LEU 46 Cb 0.35 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.01 1sbm h LEU 46 CO 0.02 0.83 -0.21 0.58 0.09 0.00 0.00 178.44 179.75 1sbm h VAL 47 N 0.20 1.31 -0.69 1.22 2.07 -0.86 -1.53 116.25 117.96 1sbm h VAL 47 Ca -0.01 -1.36 -0.03 0.00 0.82 0.00 0.00 66.70 66.12 1sbm h VAL 47 Cb 1.10 1.65 -0.03 0.00 -1.52 0.00 0.00 31.29 32.49 1sbm h VAL 47 CO 0.09 0.43 0.31 -0.09 0.02 0.00 0.00 177.57 178.33 1sbm h ARG 48 N 0.29 1.00 -0.36 1.57 2.43 -1.08 -1.56 114.38 116.67 1sbm h ARG 48 Ca 0.04 -0.15 -0.02 0.00 -0.81 0.00 0.00 59.98 59.04 1sbm h ARG 48 Cb 0.76 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 30.11 1sbm h ARG 48 CO 0.05 0.79 0.15 1.25 -1.51 0.00 0.00 179.97 180.71 1sbm h LEU 49 N 0.99 0.49 -1.10 3.80 5.85 -0.88 0.73 115.31 125.19 1sbm h LEU 49 Ca 0.24 -0.16 0.01 0.00 0.84 0.00 0.00 57.88 58.81 1sbm h LEU 49 Cb 0.14 -0.13 -0.05 0.00 0.37 0.00 0.00 40.66 41.00 1sbm h LEU 49 CO -0.03 0.52 0.61 0.00 -0.34 0.00 0.00 178.44 179.20 1sbm h ALA 50 N 0.99 1.36 0.01 1.25 0.00 -0.86 -1.09 119.26 120.91 1sbm h ALA 50 Ca 0.12 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1sbm h ALA 50 Cb 0.18 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 17.60 1sbm h ALA 50 CO -0.01 0.60 -0.00 2.35 0.00 0.00 0.00 179.25 182.18 1sbm h TRP 51 N 1.23 -0.01 -0.05 0.00 -0.00 -0.95 -2.87 115.95 113.31 1sbm h TRP 51 Ca 0.34 -0.00 -0.05 0.00 -0.00 0.00 0.00 58.89 59.18 1sbm h TRP 51 Cb -0.13 0.00 -0.01 0.00 -0.00 0.00 0.00 29.16 29.03 1sbm h TRP 51 CO -0.00 0.43 -0.20 0.45 -0.00 0.00 0.00 178.44 179.12 1sbm h HIS 52 N -0.46 0.08 0.00 2.65 3.86 -0.63 0.69 115.15 121.34 1sbm h HIS 52 Ca -0.00 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.20 1sbm h HIS 52 Cb 0.45 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 28.90 1sbm h HIS 52 CO 0.08 0.28 0.00 0.25 0.86 0.00 0.00 177.93 179.40 1sbm n THR 53 N -4.26 0.57 -0.09 2.45 -2.24 -0.43 -3.61 114.28 106.65 1sbm n THR 53 Ca -0.02 -0.19 -0.11 0.00 -2.27 0.00 0.00 64.05 61.47 1sbm n THR 53 Cb 0.28 -0.65 -0.12 0.00 -2.10 0.00 0.00 70.33 67.74 1sbm n THR 53 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1sbm n SER 54 N -2.17 1.28 0.00 3.42 7.64 -0.58 -3.28 113.62 119.93 1sbm n SER 54 Ca 0.05 -0.04 0.06 0.00 1.01 0.00 0.00 58.87 59.95 1sbm n SER 54 Cb 0.39 0.49 0.37 0.00 -1.01 0.00 0.00 64.21 64.45 1sbm n SER 54 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1sbm n GLY 55 N 2.11 -0.45 0.05 0.23 0.00 0.23 -2.62 105.19 104.74 1sbm n GLY 55 Ca -0.32 -0.08 0.13 0.00 0.00 0.00 0.00 46.02 45.75 1sbm n GLY 55 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1sbm n THR 56 N -0.93 0.00 -1.74 2.61 -2.24 -1.26 -4.60 114.28 106.13 1sbm n THR 56 Ca 0.09 -0.02 -0.40 0.00 -2.27 0.00 0.00 64.05 61.45 1sbm n THR 56 Cb 0.04 -0.03 0.02 0.00 -2.10 0.00 0.00 70.33 68.26 1sbm n THR 56 CO 0.00 0.00 0.00 1.87 -0.57 0.00 0.00 175.07 176.37 1sbm n TRP 57 N -1.30 2.45 -3.91 4.78 -0.00 -1.08 -4.30 117.44 114.08 1sbm n TRP 57 Ca 0.09 0.46 -0.29 0.00 -0.00 0.00 0.00 57.50 57.75 1sbm n TRP 57 Cb 0.32 -2.42 -0.16 0.00 -0.00 0.00 0.00 31.31 29.05 1sbm n TRP 57 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 177.69 178.03 1sbm s ASP 58 N -0.54 3.25 0.61 5.87 -1.08 -0.75 -4.64 116.67 119.39 1sbm s ASP 58 Ca 0.62 -0.87 0.35 0.00 -0.52 0.00 0.00 52.55 52.12 1sbm s ASP 58 Cb -0.47 -1.02 2.01 0.00 -1.46 0.00 0.00 42.92 41.99 1sbm s ASP 58 CO 0.57 -0.20 2.29 0.07 0.52 0.00 0.00 175.17 178.41 1sbm h LYS 59 N 8.05 0.00 -0.30 4.34 2.10 -1.74 0.33 116.57 129.36 1sbm h LYS 59 Ca -0.22 0.00 -0.10 0.00 -2.00 0.00 0.00 60.65 58.33 1sbm h LYS 59 Cb 1.10 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.41 1sbm h LYS 59 CO 0.41 0.00 -0.22 0.45 -2.00 0.00 0.00 179.45 178.09 1sbm h HIS 60 N 0.00 0.64 0.00 0.07 3.86 -1.95 -3.35 115.15 114.42 1sbm h HIS 60 Ca -0.00 -0.13 0.00 0.00 -1.16 0.00 0.00 60.37 59.08 1sbm h HIS 60 Cb 0.02 -0.16 0.00 0.00 1.06 0.00 0.00 27.41 28.33 1sbm h HIS 60 CO 0.00 0.75 0.00 -0.40 0.86 0.00 0.00 177.93 179.14 1sbm n ASP 61 N -4.13 0.56 -2.54 2.45 5.68 -1.13 -4.95 116.55 112.49 1sbm n ASP 61 Ca -0.00 -1.23 -0.20 0.00 -0.50 0.00 0.00 54.79 52.87 1sbm n ASP 61 Cb 0.40 0.00 -0.00 0.00 -1.14 0.00 0.00 41.12 40.38 1sbm n ASP 61 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 1sbm n ASN 62 N -0.11 -5.55 -4.91 -1.12 5.15 0.09 -4.01 115.26 104.80 1sbm n ASN 62 Ca 0.00 -0.04 -0.27 0.00 -0.60 0.00 0.00 54.58 53.67 1sbm n ASN 62 Cb 0.34 -4.61 -0.01 0.00 -0.53 0.00 0.00 39.78 34.97 1sbm n ASN 62 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 1sbm s THR 63 N -2.99 4.95 0.00 -0.44 -4.23 -1.24 -4.80 115.64 106.88 1sbm s THR 63 Ca 0.06 0.10 0.00 0.00 -1.18 0.00 0.00 61.69 60.67 1sbm s THR 63 Cb -0.03 -3.84 0.00 0.00 1.34 0.00 0.00 72.50 69.97 1sbm s THR 63 CO 0.08 -0.73 0.00 0.61 -0.54 0.00 0.00 174.62 174.04 1sbm n GLY 64 N -1.99 -0.38 0.00 3.99 0.00 -1.26 -1.81 105.19 103.73 1sbm n GLY 64 Ca -0.00 -1.08 0.00 0.00 0.00 0.00 0.00 46.02 44.94 1sbm n GLY 64 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sbm n GLY 65 N 0.00 0.32 0.24 -0.02 0.00 -1.26 -4.68 105.19 99.79 1sbm n GLY 65 Ca 0.00 -1.88 0.14 0.00 0.00 0.00 0.00 46.02 44.28 1sbm n GLY 65 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1sbm h SER 66 N 0.00 0.00 -0.20 1.61 4.64 -1.74 -3.39 113.55 114.47 1sbm h SER 66 Ca 0.00 0.00 0.05 0.00 -0.47 0.00 0.00 61.79 61.37 1sbm h SER 66 Cb 0.00 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.02 1sbm h SER 66 CO 0.00 0.01 -0.45 0.22 -0.87 0.00 0.00 176.83 175.73 1sbm h TYR 67 N 0.00 -1.32 0.00 4.77 3.20 -1.85 -3.12 116.97 118.64 1sbm h TYR 67 Ca -0.00 0.06 0.00 0.00 3.14 0.00 0.00 58.73 61.93 1sbm h TYR 67 Cb 0.83 0.61 0.00 0.00 1.54 0.00 0.00 36.73 39.70 1sbm h TYR 67 CO 0.00 -0.48 0.00 0.78 -1.64 0.00 0.00 178.16 176.82 1sbm h GLY 68 N -0.47 0.00 -5.13 1.82 0.00 -1.75 -2.95 103.07 94.58 1sbm h GLY 68 Ca 0.08 0.00 -0.41 0.00 0.00 0.00 0.00 47.33 47.00 1sbm h GLY 68 CO -0.45 0.00 -0.64 0.61 0.00 0.00 0.00 176.54 176.06 1sbm n GLY 69 N 0.45 -0.52 0.00 4.60 0.00 -1.18 -2.49 105.19 106.05 1sbm n GLY 69 Ca 0.03 0.17 0.08 0.00 0.00 0.00 0.00 46.02 46.29 1sbm n GLY 69 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1sbm n THR 70 N -4.61 0.72 0.33 2.61 -2.24 -1.26 -3.15 114.28 106.67 1sbm n THR 70 Ca -0.05 0.18 0.22 0.00 -2.27 0.00 0.00 64.05 62.13 1sbm n THR 70 Cb 0.59 -0.92 1.18 0.00 -2.10 0.00 0.00 70.33 69.08 1sbm n THR 70 CO 0.00 0.00 0.00 0.22 -0.57 0.00 0.00 175.07 174.72 1sbm h TYR 71 N 0.00 0.00 0.00 4.78 5.03 -1.94 -0.12 116.97 124.72 1sbm h TYR 71 Ca 0.00 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.31 1sbm h TYR 71 Cb 0.20 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.48 1sbm h TYR 71 CO 0.00 0.00 0.00 2.89 -1.32 0.00 0.00 178.16 179.73 1sbm n ARG 72 N -3.09 0.05 -3.67 1.82 1.85 -1.19 -3.56 116.66 108.87 1sbm n ARG 72 Ca -0.03 0.32 -0.36 0.00 -1.00 0.00 0.00 57.85 56.78 1sbm n ARG 72 Cb 0.09 -1.59 -0.06 0.00 -1.05 0.00 0.00 32.46 29.85 1sbm n ARG 72 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 1sbm s PHE 73 N -3.08 3.62 0.25 2.89 0.40 -0.06 -4.95 117.98 117.05 1sbm s PHE 73 Ca 0.06 0.72 -0.12 0.00 -0.60 0.00 0.00 56.93 56.99 1sbm s PHE 73 Cb 0.09 -2.10 0.35 0.00 0.51 0.00 0.00 43.02 41.87 1sbm s PHE 73 CO 0.27 0.62 1.58 -0.22 0.70 0.00 0.00 175.22 178.17 1sbm h LYS 74 N 4.27 -0.01 -0.41 0.44 3.64 -1.86 -0.11 116.57 122.52 1sbm h LYS 74 Ca -0.51 0.00 0.08 0.00 -1.27 0.00 0.00 60.65 58.95 1sbm h LYS 74 Cb 1.21 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 32.96 1sbm h LYS 74 CO 0.64 -0.01 -0.03 -0.22 -2.27 0.00 0.00 179.45 177.56 1sbm h LYS 75 N -0.01 0.07 0.07 1.90 3.64 -1.94 0.13 116.57 120.43 1sbm h LYS 75 Ca 0.40 -0.00 -0.27 0.00 -1.27 0.00 0.00 60.65 59.50 1sbm h LYS 75 Cb 0.63 -0.02 0.02 0.00 -0.41 0.00 0.00 32.23 32.46 1sbm h LYS 75 CO -0.91 0.05 -1.14 1.49 -2.27 0.00 0.00 179.45 176.66 1sbm h GLU 76 N 0.07 0.55 -0.35 1.90 4.81 -1.70 -3.02 114.58 116.84 1sbm h GLU 76 Ca 0.20 -0.69 0.00 0.00 -0.13 0.00 0.00 59.36 58.74 1sbm h GLU 76 Cb 0.29 0.22 -0.02 0.00 0.63 0.00 0.00 28.75 29.88 1sbm h GLU 76 CO -0.36 1.29 0.22 0.35 -0.73 0.00 0.00 179.01 179.78 1sbm h PHE 77 N 0.26 0.45 -0.57 0.92 3.04 -0.72 -1.92 116.94 118.40 1sbm h PHE 77 Ca -0.15 0.01 0.00 0.00 3.98 0.00 0.00 57.97 61.81 1sbm h PHE 77 Cb 1.81 -0.15 0.00 0.00 2.56 0.00 0.00 35.95 40.17 1sbm h PHE 77 CO 0.09 0.30 0.00 0.09 -2.02 0.00 0.00 178.31 176.77 1sbm n ASN 78 N -4.47 3.17 -4.70 0.41 3.02 0.42 -4.85 115.26 108.27 1sbm n ASN 78 Ca 0.02 -2.04 -0.42 0.00 -0.03 0.00 0.00 54.58 52.11 1sbm n ASN 78 Cb 0.07 -0.40 -0.03 0.00 -0.61 0.00 0.00 39.78 38.81 1sbm n ASN 78 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1sbm s ASP 79 N -0.98 6.46 0.54 6.41 -1.08 -0.72 -4.83 116.67 122.47 1sbm s ASP 79 Ca 0.39 2.74 0.27 0.00 -0.52 0.00 0.00 52.55 55.42 1sbm s ASP 79 Cb 0.21 -2.58 1.43 0.00 -1.46 0.00 0.00 42.92 40.52 1sbm s ASP 79 CO 0.25 -0.96 1.98 -0.65 0.52 0.00 0.00 175.17 176.32 1sbm h PRO 80 N 7.80 0.00 0.00 4.34 0.11 -1.92 0.38 132.00 142.71 1sbm h PRO 80 Ca -0.44 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.66 1sbm h PRO 80 Cb 1.21 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 1sbm h PRO 80 CO 0.94 0.00 -0.06 0.77 -0.21 0.00 0.00 178.00 179.45 1sbm h SER 81 N 0.00 0.00 -0.69 -2.05 0.02 -1.93 -2.66 113.55 106.24 1sbm h SER 81 Ca 0.26 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.21 1sbm h SER 81 Cb 1.09 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.63 1sbm h SER 81 CO -0.00 0.06 0.00 0.59 -1.14 0.00 0.00 176.83 176.33 1sbm n ASN 82 N -3.26 4.54 -4.68 3.07 3.02 0.13 -4.99 115.26 113.10 1sbm n ASN 82 Ca -0.01 -2.30 -0.45 0.00 -0.03 0.00 0.00 54.58 51.79 1sbm n ASN 82 Cb 0.26 -0.56 -0.04 0.00 -0.61 0.00 0.00 39.78 38.83 1sbm n ASN 82 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1sbm n ALA 83 N 1.32 1.59 0.00 5.41 0.00 -1.01 -1.34 120.51 126.48 1sbm n ALA 83 Ca 0.26 0.38 0.00 0.00 0.00 0.00 0.00 53.44 54.07 1sbm n ALA 83 Cb 0.81 -2.45 0.00 0.00 0.00 0.00 0.00 19.45 17.81 1sbm n ALA 83 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sbm n GLY 84 N 3.86 3.21 0.10 0.00 0.00 -1.26 -4.81 105.19 106.29 1sbm n GLY 84 Ca 0.18 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.31 1sbm n GLY 84 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1sbm n LEU 85 N 0.00 0.49 0.25 0.99 4.77 -0.45 -2.49 117.00 120.57 1sbm n LEU 85 Ca 0.00 0.62 0.14 0.00 -0.03 0.00 0.00 56.01 56.74 1sbm n LEU 85 Cb 0.00 -0.55 0.80 0.00 -2.33 0.00 0.00 43.42 41.34 1sbm n LEU 85 CO 0.00 -0.48 1.12 1.56 -1.33 0.00 0.00 177.39 178.26 1sbm h GLN 86 N 0.00 0.00 -0.53 3.23 7.50 -1.91 -0.35 115.11 123.05 1sbm h GLN 86 Ca 0.00 0.00 -0.07 0.00 0.50 0.00 0.00 58.65 59.08 1sbm h GLN 86 Cb 0.34 0.00 -0.02 0.00 0.05 0.00 0.00 27.48 27.85 1sbm h GLN 86 CO 0.00 0.00 0.08 -0.91 -1.50 0.00 0.00 178.83 176.50 1sbm h ASN 87 N 0.00 0.86 -0.49 1.46 2.35 -1.89 -0.49 115.58 117.37 1sbm h ASN 87 Ca 0.03 -0.27 -0.13 0.00 -0.55 0.00 0.00 56.30 55.39 1sbm h ASN 87 Cb 0.15 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.28 1sbm h ASN 87 CO -0.00 0.91 -0.19 1.23 -1.65 0.00 0.00 177.43 177.73 1sbm h GLY 88 N 0.77 1.09 0.99 2.83 0.00 -1.28 -1.82 103.07 105.66 1sbm h GLY 88 Ca 0.16 -0.94 -0.05 0.00 0.00 0.00 0.00 47.33 46.50 1sbm h GLY 88 CO 0.01 0.86 0.16 -2.75 0.00 0.00 0.00 176.54 174.82 1sbm h PHE 89 N 0.87 0.89 -0.61 5.60 3.04 -1.19 -1.88 116.94 123.67 1sbm h PHE 89 Ca 0.12 -0.10 -0.04 0.00 3.98 0.00 0.00 57.97 61.93 1sbm h PHE 89 Cb 0.76 -0.26 -0.03 0.00 2.56 0.00 0.00 35.95 38.99 1sbm h PHE 89 CO 0.05 0.76 0.21 -0.22 -2.02 0.00 0.00 178.31 177.09 1sbm h LYS 90 N 0.76 0.90 -0.73 1.11 3.64 -0.96 -1.71 116.57 119.59 1sbm h LYS 90 Ca 0.17 -0.16 -0.02 0.00 -1.27 0.00 0.00 60.65 59.38 1sbm h LYS 90 Cb 0.30 -0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 31.94 1sbm h LYS 90 CO -0.00 0.76 0.38 0.35 -2.27 0.00 0.00 179.45 178.67 1sbm h PHE 91 N 0.88 1.02 0.00 1.91 3.04 -0.95 -2.69 116.94 120.15 1sbm h PHE 91 Ca 0.20 -0.03 0.00 0.00 3.98 0.00 0.00 57.97 62.12 1sbm h PHE 91 Cb 0.22 -0.32 0.00 0.00 2.56 0.00 0.00 35.95 38.41 1sbm h PHE 91 CO 0.02 0.73 0.00 -0.07 -2.02 0.00 0.00 178.31 176.97 1sbm h LEU 92 N 1.01 0.00 -0.15 0.59 3.38 -0.74 -3.36 115.31 116.05 1sbm h LEU 92 Ca 0.25 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.27 1sbm h LEU 92 Cb 0.07 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.76 1sbm h LEU 92 CO -0.04 0.00 -0.22 -0.33 0.09 0.00 0.00 178.44 177.94 1sbm h GLU 93 N 0.00 -0.26 0.00 1.13 5.08 -0.98 -0.20 114.58 119.36 1sbm h GLU 93 Ca 0.00 0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.35 1sbm h GLU 93 Cb 0.62 0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.93 1sbm h GLU 93 CO 0.00 -0.17 -0.15 -1.00 -1.00 0.00 0.00 179.01 176.68 1sbm h PRO 94 N -0.27 0.00 -0.18 2.33 0.13 -1.75 -0.82 132.00 131.45 1sbm h PRO 94 Ca 0.11 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.21 1sbm h PRO 94 Cb 0.43 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.55 1sbm h PRO 94 CO -0.31 0.15 -0.01 0.82 -0.23 0.00 0.00 178.00 178.43 1sbm h ILE 95 N 0.00 1.26 -0.12 -3.56 1.08 -1.51 -2.00 117.51 112.65 1sbm h ILE 95 Ca -0.00 -0.88 -0.07 0.00 -0.39 0.00 0.00 64.86 63.51 1sbm h ILE 95 Cb 0.28 1.49 -0.01 0.00 -3.07 0.00 0.00 36.82 35.51 1sbm h ILE 95 CO 0.02 0.27 -0.26 -0.74 -0.69 0.00 0.00 178.15 176.75 1sbm h HIS 96 N 0.06 0.24 -0.52 1.37 2.76 -0.58 -1.15 115.15 117.34 1sbm h HIS 96 Ca 0.05 -0.04 -0.10 0.00 -2.20 0.00 0.00 60.37 58.08 1sbm h HIS 96 Cb 0.40 -0.06 -0.02 0.00 1.55 0.00 0.00 27.41 29.28 1sbm h HIS 96 CO 0.04 0.47 -0.07 -0.22 -1.30 0.00 0.00 177.93 176.85 1sbm h LYS 97 N 0.20 0.94 -0.01 5.26 3.64 -0.99 -1.01 116.57 124.59 1sbm h LYS 97 Ca 0.03 -0.31 -0.20 0.00 -1.27 0.00 0.00 60.65 58.90 1sbm h LYS 97 Cb 0.57 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.31 1sbm h LYS 97 CO 0.04 0.97 -0.85 1.49 -2.27 0.00 0.00 179.45 178.83 1sbm h GLU 98 N 0.85 0.25 -2.17 1.90 4.81 -0.93 -3.35 114.58 115.94 1sbm h GLU 98 Ca 0.14 -0.26 -0.59 0.00 -0.13 0.00 0.00 59.36 58.52 1sbm h GLU 98 Cb 0.60 0.07 -0.42 0.00 0.63 0.00 0.00 28.75 29.63 1sbm h GLU 98 CO 0.04 0.96 -0.67 1.19 -0.73 0.00 0.00 179.01 179.80 1sbm n PHE 99 N -3.71 3.15 0.23 0.92 3.01 -0.47 -4.92 117.46 115.67 1sbm n PHE 99 Ca -0.04 -4.06 0.15 0.00 1.01 0.00 0.00 57.45 54.51 1sbm n PHE 99 Cb 0.79 -0.52 0.76 0.00 -0.01 0.00 0.00 39.48 40.50 1sbm n PHE 99 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1sbm h PRO 100 N 3.99 0.00 0.00 -1.08 0.13 -1.32 -2.72 132.00 131.00 1sbm h PRO 100 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 1sbm h PRO 100 Cb 0.67 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.80 1sbm h PRO 100 CO 0.78 0.00 0.00 0.11 -0.23 0.00 0.00 178.00 178.66 1sbm h TRP 101 N 0.00 0.00 -3.73 1.56 5.08 -1.91 -3.45 115.95 113.50 1sbm h TRP 101 Ca 0.00 0.00 -0.49 0.00 1.08 0.00 0.00 58.89 59.48 1sbm h TRP 101 Cb 0.04 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 26.19 1sbm h TRP 101 CO 0.00 0.00 0.36 -1.50 -1.28 0.00 0.00 178.44 176.02 1sbm s ILE 102 N -3.40 4.08 0.74 0.12 2.07 -1.03 -4.93 121.20 118.85 1sbm s ILE 102 Ca 0.05 2.05 -0.12 0.00 -1.41 0.00 0.00 60.65 61.22 1sbm s ILE 102 Cb 0.07 -4.30 0.04 0.00 0.13 0.00 0.00 42.46 38.40 1sbm s ILE 102 CO 0.60 0.47 1.10 -0.94 -1.91 0.00 0.00 174.94 174.26 1sbm s SER 103 N -1.03 4.69 0.16 4.50 1.04 -1.26 -4.86 113.70 116.94 1sbm s SER 103 Ca 0.42 1.88 -0.13 0.00 0.48 0.00 0.00 55.95 58.60 1sbm s SER 103 Cb -0.26 -2.53 0.06 0.00 0.10 0.00 0.00 66.02 63.38 1sbm s SER 103 CO 0.32 -1.91 1.72 0.28 0.98 0.00 0.00 173.24 174.63 1sbm h SER 104 N -0.78 0.75 -0.75 7.02 0.02 -1.90 -0.87 113.55 117.05 1sbm h SER 104 Ca -0.44 -0.17 -0.03 0.00 -0.84 0.00 0.00 61.79 60.31 1sbm h SER 104 Cb 1.24 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 63.55 1sbm h SER 104 CO 0.52 0.72 0.35 1.23 -1.14 0.00 0.00 176.83 178.50 1sbm h GLY 105 N 0.75 1.17 1.14 -3.77 0.00 -1.78 0.60 103.07 101.17 1sbm h GLY 105 Ca 0.18 -0.59 -0.09 0.00 0.00 0.00 0.00 47.33 46.83 1sbm h GLY 105 CO -0.02 0.56 0.05 -0.55 0.00 0.00 0.00 176.54 176.58 1sbm h ASP 106 N 1.06 1.00 -0.24 0.19 5.19 -1.77 -2.15 116.42 119.70 1sbm h ASP 106 Ca 0.26 -0.26 -0.07 0.00 -0.62 0.00 0.00 57.03 56.34 1sbm h ASP 106 Cb 0.14 -0.27 -0.01 0.00 0.18 0.00 0.00 39.33 39.38 1sbm h ASP 106 CO -0.03 1.03 -0.11 0.25 -3.12 0.00 0.00 179.24 177.26 1sbm h LEU 107 N 0.96 0.51 -0.37 1.55 5.85 -0.66 0.05 115.31 123.20 1sbm h LEU 107 Ca 0.18 -0.40 -0.00 0.00 0.84 0.00 0.00 57.88 58.50 1sbm h LEU 107 Cb 0.49 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.36 1sbm h LEU 107 CO 0.02 0.80 0.23 -0.26 -0.34 0.00 0.00 178.44 178.89 1sbm h PHE 108 N 0.22 0.49 -0.34 1.25 0.05 -0.85 -0.53 116.94 117.23 1sbm h PHE 108 Ca 0.05 0.00 -0.13 0.00 3.82 0.00 0.00 57.97 61.72 1sbm h PHE 108 Cb 0.60 -0.16 -0.01 0.00 2.00 0.00 0.00 35.95 38.39 1sbm h PHE 108 CO 0.06 0.35 -0.29 0.66 -0.18 0.00 0.00 178.31 178.91 1sbm h SER 109 N 0.49 0.85 0.10 2.17 4.64 -1.40 -2.94 113.55 117.46 1sbm h SER 109 Ca 0.13 -0.45 -0.04 0.00 -0.47 0.00 0.00 61.79 60.96 1sbm h SER 109 Cb -0.00 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 61.84 1sbm h SER 109 CO -0.03 1.12 -0.15 0.25 -0.87 0.00 0.00 176.83 177.16 1sbm h LEU 110 N 0.58 0.10 -0.87 5.97 5.85 -0.83 -1.87 115.31 124.24 1sbm h LEU 110 Ca 0.06 -0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.73 1sbm h LEU 110 Cb 0.87 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.83 1sbm h LEU 110 CO 0.07 0.27 0.43 1.23 -0.34 0.00 0.00 178.44 180.11 1sbm h GLY 111 N 0.63 1.33 0.93 3.75 0.00 -0.92 0.91 103.07 109.70 1sbm h GLY 111 Ca 0.02 -0.64 -0.09 0.00 0.00 0.00 0.00 47.33 46.62 1sbm h GLY 111 CO 0.02 0.61 -0.14 -1.33 0.00 0.00 0.00 176.54 175.70 1sbm h GLY 112 N 1.23 0.71 0.94 4.60 0.00 -1.27 -1.43 103.07 107.86 1sbm h GLY 112 Ca 0.30 -0.63 -0.01 0.00 0.00 0.00 0.00 47.33 46.99 1sbm h GLY 112 CO -0.04 0.58 0.13 -2.08 0.00 0.00 0.00 176.54 175.12 1sbm h VAL 113 N 0.42 1.13 -0.46 4.60 2.07 -1.09 -1.71 116.25 121.20 1sbm h VAL 113 Ca 0.07 -0.34 0.02 0.00 0.82 0.00 0.00 66.70 67.27 1sbm h VAL 113 Cb 0.67 0.91 -0.03 0.00 -1.52 0.00 0.00 31.29 31.31 1sbm h VAL 113 CO 0.04 0.12 0.28 0.74 0.02 0.00 0.00 177.57 178.78 1sbm h THR 114 N 0.28 1.06 -0.23 2.57 2.02 -0.79 -1.94 112.91 115.88 1sbm h THR 114 Ca 0.09 -0.19 -0.00 0.00 0.77 0.00 0.00 66.41 67.07 1sbm h THR 114 Cb 0.08 0.45 -0.01 0.00 -1.74 0.00 0.00 68.15 66.93 1sbm h THR 114 CO -0.01 0.10 0.14 0.00 0.37 0.00 0.00 175.52 176.12 1sbm h ALA 115 N 1.20 0.29 -0.28 6.16 0.00 -1.07 -0.27 119.26 125.29 1sbm h ALA 115 Ca 0.18 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.07 1sbm h ALA 115 Cb 0.00 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1sbm h ALA 115 CO -0.08 -0.21 0.14 0.28 0.00 0.00 0.00 179.25 179.38 1sbm h VAL 116 N 0.29 1.00 -0.41 0.00 2.07 -1.11 -1.57 116.25 116.52 1sbm h VAL 116 Ca 0.08 -0.10 -0.06 0.00 0.82 0.00 0.00 66.70 67.44 1sbm h VAL 116 Cb 0.00 0.68 -0.01 0.00 -1.52 0.00 0.00 31.29 30.43 1sbm h VAL 116 CO -0.02 0.05 0.01 1.56 0.02 0.00 0.00 177.57 179.20 1sbm h GLN 117 N 0.30 0.73 0.00 1.57 4.20 -1.19 0.79 115.11 121.50 1sbm h GLN 117 Ca 0.11 -0.23 -0.04 0.00 0.06 0.00 0.00 58.65 58.56 1sbm h GLN 117 Cb 0.02 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.73 1sbm h GLN 117 CO -0.07 0.80 -0.17 0.93 -0.67 0.00 0.00 178.83 179.65 1sbm h GLU 118 N 0.56 0.00 -0.84 1.46 4.39 -0.94 -1.64 114.58 117.57 1sbm h GLU 118 Ca 0.12 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.78 1sbm h GLU 118 Cb 0.47 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.10 1sbm h GLU 118 CO 0.02 0.17 0.05 -1.33 -1.16 0.00 0.00 179.01 176.76 1sbm n MET 119 N -3.56 2.60 -1.51 2.33 2.81 -0.60 -4.86 117.12 114.34 1sbm n MET 119 Ca -0.01 -1.43 -0.10 0.00 -1.81 0.00 0.00 57.70 54.35 1sbm n MET 119 Cb 0.31 -1.80 -0.03 0.00 -0.71 0.00 0.00 33.22 30.99 1sbm n MET 119 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 1sbm n GLN 120 N 0.20 -0.71 -1.11 0.03 6.02 -0.62 -0.38 117.38 120.82 1sbm n GLN 120 Ca 0.15 0.76 -0.14 0.00 -0.01 0.00 0.00 57.00 57.76 1sbm n GLN 120 Cb 0.74 -4.71 0.09 0.00 1.02 0.00 0.00 30.24 27.39 1sbm n GLN 120 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1sbm n GLY 121 N -1.59 -0.86 3.77 1.08 0.00 0.25 -4.71 105.19 103.13 1sbm n GLY 121 Ca -0.10 -1.76 -0.31 0.00 0.00 0.00 0.00 46.02 43.85 1sbm n GLY 121 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1sbm s PRO 122 N -4.31 2.07 0.33 1.61 0.04 -1.26 -4.64 135.00 128.84 1sbm s PRO 122 Ca 0.37 0.98 -0.28 0.00 0.04 0.00 0.00 61.00 62.11 1sbm s PRO 122 Cb -0.01 -1.89 -0.09 0.00 0.04 0.00 0.00 34.50 32.54 1sbm s PRO 122 CO 0.26 -1.72 1.17 0.15 0.04 0.00 0.00 177.00 176.90 1sbm s LYS 123 N -4.96 4.39 -0.27 4.56 -0.14 -1.26 -4.40 119.74 117.66 1sbm s LYS 123 Ca 0.61 1.91 0.03 0.00 -1.36 0.00 0.00 55.97 57.16 1sbm s LYS 123 Cb -0.17 -3.00 0.07 0.00 -1.68 0.00 0.00 37.83 33.05 1sbm s LYS 123 CO 0.56 -0.05 -0.07 0.42 -0.76 0.00 0.00 175.35 175.45 1sbm s ILE 124 N -1.24 2.09 0.39 2.17 -1.09 -1.26 -4.81 121.20 117.45 1sbm s ILE 124 Ca 0.49 -1.70 -0.27 0.00 -2.23 0.00 0.00 60.65 56.94 1sbm s ILE 124 Cb -0.33 -2.28 -0.11 0.00 -1.58 0.00 0.00 42.46 38.16 1sbm s ILE 124 CO 0.43 -0.14 1.47 -2.65 -1.23 0.00 0.00 174.94 172.82 1sbm n PRO 125 N 4.44 2.58 -4.23 2.79 -0.02 -1.26 -4.77 135.00 134.52 1sbm n PRO 125 Ca -0.11 0.91 -0.17 0.00 -2.02 0.00 0.00 63.50 62.11 1sbm n PRO 125 Cb 0.42 -2.66 -0.15 0.00 -0.02 0.00 0.00 33.50 31.10 1sbm n PRO 125 CO 0.00 0.00 0.00 -0.46 1.98 0.00 0.00 175.50 177.02 1sbm s TRP 126 N -1.13 0.61 -0.03 6.00 -0.00 -0.02 -4.80 118.94 119.57 1sbm s TRP 126 Ca 0.55 -0.12 0.05 0.00 -0.00 0.00 0.00 56.10 56.57 1sbm s TRP 126 Cb -0.47 -0.42 -0.03 0.00 -0.00 0.00 0.00 33.47 32.55 1sbm s TRP 126 CO 0.63 -0.03 -0.16 1.03 -0.00 0.00 0.00 176.95 178.41 1sbm s ARG 127 N -0.01 2.39 0.65 5.86 0.52 -1.26 -0.12 118.95 126.98 1sbm s ARG 127 Ca 0.01 -0.77 0.00 0.00 -0.52 0.00 0.00 55.73 54.45 1sbm s ARG 127 Cb -0.04 -2.30 0.09 0.00 0.52 0.00 0.00 34.95 33.22 1sbm s ARG 127 CO -0.00 0.60 0.91 0.00 0.02 0.00 0.00 175.30 176.83 1sbm n GLY 129 N -2.63 1.19 3.77 0.00 0.00 -1.26 -4.74 105.19 101.52 1sbm n GLY 129 Ca 0.12 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.75 1sbm n GLY 129 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1sbm s ARG 130 N -0.03 3.94 -0.06 1.61 0.52 -1.26 -0.47 118.95 123.20 1sbm s ARG 130 Ca 0.00 2.10 0.05 0.00 -0.52 0.00 0.00 55.73 57.37 1sbm s ARG 130 Cb 0.00 -2.71 -0.01 0.00 0.52 0.00 0.00 34.95 32.75 1sbm s ARG 130 CO 0.00 -0.50 -0.22 0.08 0.02 0.00 0.00 175.30 174.68 1sbm s VAL 131 N -1.29 1.80 0.30 3.52 1.01 -1.12 -4.65 120.40 119.96 1sbm s VAL 131 Ca 0.58 -0.92 -0.30 0.00 0.00 0.00 0.00 61.98 61.34 1sbm s VAL 131 Cb -0.37 -1.53 -0.11 0.00 0.00 0.00 0.00 36.38 34.37 1sbm s VAL 131 CO 0.47 0.50 1.60 -1.81 0.00 0.00 0.00 175.10 175.86 1sbm s ASP 132 N -0.03 6.36 0.24 3.32 1.01 -1.26 -3.88 116.67 122.42 1sbm s ASP 132 Ca -0.05 2.97 0.10 0.00 0.71 0.00 0.00 52.55 56.28 1sbm s ASP 132 Cb -0.13 -2.64 -0.05 0.00 1.01 0.00 0.00 42.92 41.12 1sbm s ASP 132 CO 0.03 -0.92 -0.13 0.42 0.21 0.00 0.00 175.17 174.78 1sbm s THR 133 N -0.03 2.90 0.95 -1.27 -4.23 -1.04 -4.99 115.64 107.93 1sbm s THR 133 Ca 0.63 -2.03 -0.12 0.00 -1.18 0.00 0.00 61.69 58.99 1sbm s THR 133 Cb -0.48 -2.49 0.05 0.00 1.34 0.00 0.00 72.50 70.92 1sbm s THR 133 CO 0.48 -0.28 0.49 -2.65 -0.54 0.00 0.00 174.62 172.13 1sbm n PRO 134 N -0.39 -0.32 0.26 3.99 -0.02 -1.26 -4.86 135.00 132.40 1sbm n PRO 134 Ca -0.08 -0.05 0.09 0.00 -2.02 0.00 0.00 63.50 61.44 1sbm n PRO 134 Cb 0.58 -1.91 0.66 0.00 -0.02 0.00 0.00 33.50 32.81 1sbm n PRO 134 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1sbm h GLU 135 N -1.61 0.00 0.00 -0.52 4.81 -1.99 -1.54 114.58 113.73 1sbm h GLU 135 Ca -0.43 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.80 1sbm h GLU 135 Cb 1.28 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.66 1sbm h GLU 135 CO 0.35 0.04 0.00 -0.40 -0.73 0.00 0.00 179.01 178.27 1sbm n ASP 136 N -4.37 0.00 -0.67 1.04 3.85 -1.26 -2.06 116.55 113.08 1sbm n ASP 136 Ca -0.03 -0.41 0.12 0.00 -0.71 0.00 0.00 54.79 53.76 1sbm n ASP 136 Cb 0.12 -0.13 0.22 0.00 -1.35 0.00 0.00 41.12 39.98 1sbm n ASP 136 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 177.20 176.54 1sbm n THR 137 N -1.13 0.00 -2.00 2.12 -2.24 -0.58 -4.93 114.28 105.53 1sbm n THR 137 Ca 0.14 -0.35 -0.42 0.00 -2.27 0.00 0.00 64.05 61.15 1sbm n THR 137 Cb 0.13 1.08 -0.03 0.00 -2.10 0.00 0.00 70.33 69.40 1sbm n THR 137 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1sbm s THR 138 N -2.15 3.00 0.50 4.28 2.01 -0.87 -4.64 115.64 117.78 1sbm s THR 138 Ca 0.28 0.60 -0.21 0.00 0.31 0.00 0.00 61.69 62.67 1sbm s THR 138 Cb 0.20 -3.39 -0.07 0.00 0.01 0.00 0.00 72.50 69.26 1sbm s THR 138 CO 0.38 0.02 1.14 -2.16 -0.69 0.00 0.00 174.62 173.31 1sbm s PRO 139 N 1.88 3.56 0.73 4.92 0.04 -1.26 -5.01 135.00 139.87 1sbm s PRO 139 Ca 0.70 1.66 -0.13 0.00 0.04 0.00 0.00 61.00 63.28 1sbm s PRO 139 Cb -0.40 -2.18 0.04 0.00 0.04 0.00 0.00 34.50 32.00 1sbm s PRO 139 CO 0.31 -0.69 1.11 -0.51 0.04 0.00 0.00 177.00 177.26 1sbm s ASP 140 N -1.61 4.64 0.79 6.66 -0.00 -1.26 -4.66 116.67 121.22 1sbm s ASP 140 Ca 0.68 1.95 -0.11 0.00 -0.00 0.00 0.00 52.55 55.08 1sbm s ASP 140 Cb -0.25 -2.54 0.07 0.00 -0.00 0.00 0.00 42.92 40.20 1sbm s ASP 140 CO 0.30 -1.95 1.10 0.20 -0.00 0.00 0.00 175.17 174.82 1sbm s ASN 141 N -2.94 4.25 0.00 0.27 0.01 -1.26 -4.15 114.94 111.11 1sbm s ASN 141 Ca 0.65 1.91 0.00 0.00 -0.71 0.00 0.00 52.86 54.70 1sbm s ASN 141 Cb -0.20 -2.53 0.00 0.00 0.41 0.00 0.00 41.25 38.93 1sbm s ASN 141 CO 0.50 -2.21 0.00 0.61 -1.51 0.00 0.00 177.10 174.49 1sbm n GLY 142 N -0.90 0.67 0.10 0.66 0.00 -1.26 -4.97 105.19 99.49 1sbm n GLY 142 Ca 0.10 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.23 1sbm n GLY 142 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1sbm h ARG 143 N 4.32 0.00 -6.86 1.61 3.08 -1.94 -3.46 114.38 111.12 1sbm h ARG 143 Ca 0.00 0.00 -0.47 0.00 0.07 0.00 0.00 59.98 59.58 1sbm h ARG 143 Cb 0.00 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.03 1sbm h ARG 143 CO 0.00 0.00 0.24 -0.51 -1.07 0.00 0.00 179.97 178.63 1sbm s LEU 144 N -5.03 4.11 0.82 3.04 1.43 -1.26 -4.77 118.68 117.02 1sbm s LEU 144 Ca 0.02 1.57 -0.11 0.00 -1.03 0.00 0.00 54.13 54.58 1sbm s LEU 144 Cb 0.11 -4.17 0.08 0.00 0.03 0.00 0.00 46.19 42.24 1sbm s LEU 144 CO 0.77 -0.20 1.09 -2.16 0.23 0.00 0.00 176.35 176.08 1sbm s PRO 145 N -2.73 1.90 0.31 1.29 0.04 -1.26 -5.07 135.00 129.48 1sbm s PRO 145 Ca 0.55 1.02 -0.01 0.00 0.04 0.00 0.00 61.00 62.60 1sbm s PRO 145 Cb -0.12 -1.87 -0.04 0.00 0.04 0.00 0.00 34.50 32.51 1sbm s PRO 145 CO 0.17 -1.85 0.52 -0.51 0.04 0.00 0.00 177.00 175.37 1sbm s ASP 146 N -3.43 6.34 0.00 6.66 1.01 -1.26 -5.03 116.67 120.96 1sbm s ASP 146 Ca 0.62 0.48 0.15 0.00 0.71 0.00 0.00 52.55 54.52 1sbm s ASP 146 Cb -0.17 -2.04 -0.00 0.00 1.01 0.00 0.00 42.92 41.71 1sbm s ASP 146 CO 0.56 -0.23 0.84 0.00 0.21 0.00 0.00 175.17 176.55 1sbm n ALA 147 N -1.42 3.12 -0.80 5.23 0.00 -1.26 -4.51 120.51 120.88 1sbm n ALA 147 Ca -0.04 -0.53 0.05 0.00 0.00 0.00 0.00 53.44 52.92 1sbm n ALA 147 Cb 0.55 -0.54 0.38 0.00 0.00 0.00 0.00 19.45 19.84 1sbm n ALA 147 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1sbm n ASP 148 N -0.11 5.41 -4.00 0.00 5.75 -1.26 -2.76 116.55 119.58 1sbm n ASP 148 Ca 0.06 -2.90 -0.16 0.00 -0.01 0.00 0.00 54.79 51.78 1sbm n ASP 148 Cb 0.33 -0.68 0.02 0.00 -1.03 0.00 0.00 41.12 39.75 1sbm n ASP 148 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1sbm n LYS 149 N 0.53 0.85 -2.77 0.11 4.76 -1.26 -4.93 118.16 115.44 1sbm n LYS 149 Ca 0.27 -2.32 -0.16 0.00 -2.87 0.00 0.00 58.31 53.24 1sbm n LYS 149 Cb 1.17 0.10 0.01 0.00 -1.84 0.00 0.00 35.03 34.47 1sbm n LYS 149 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 1sbm n ASP 150 N -2.13 1.89 -0.37 4.39 5.68 -1.26 -3.44 116.55 121.31 1sbm n ASP 150 Ca 0.03 -2.16 0.03 0.00 -0.50 0.00 0.00 54.79 52.20 1sbm n ASP 150 Cb 0.43 -0.11 0.18 0.00 -1.14 0.00 0.00 41.12 40.48 1sbm n ASP 150 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1sbm h ALA 151 N 0.55 1.40 -0.79 2.12 0.00 -1.90 -2.12 119.26 118.53 1sbm h ALA 151 Ca -0.21 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.65 1sbm h ALA 151 Cb 0.82 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 18.28 1sbm h ALA 151 CO 0.32 0.42 0.37 -0.44 0.00 0.00 0.00 179.25 179.92 1sbm h ASP 152 N 1.16 1.03 -0.22 0.00 3.32 -1.96 -0.86 116.42 118.88 1sbm h ASP 152 Ca 0.44 -0.12 -0.02 0.00 0.02 0.00 0.00 57.03 57.34 1sbm h ASP 152 Cb 0.20 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.47 1sbm h ASP 152 CO -0.18 0.88 0.06 0.22 -1.72 0.00 0.00 179.24 178.49 1sbm h TYR 153 N 1.12 0.37 -0.02 4.55 3.20 -1.79 -2.04 116.97 122.36 1sbm h TYR 153 Ca 0.27 -0.04 0.00 0.00 3.14 0.00 0.00 58.73 62.10 1sbm h TYR 153 Cb 0.13 -0.11 -0.00 0.00 1.54 0.00 0.00 36.73 38.29 1sbm h TYR 153 CO 0.01 0.45 -0.00 0.28 -1.64 0.00 0.00 178.16 177.26 1sbm h VAL 154 N 0.19 0.98 -0.29 1.81 2.07 -1.11 0.12 116.25 120.02 1sbm h VAL 154 Ca 0.07 -0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.62 1sbm h VAL 154 Cb 0.26 0.98 -0.03 0.00 -1.52 0.00 0.00 31.29 30.98 1sbm h VAL 154 CO -0.00 0.00 0.10 -0.09 0.02 0.00 0.00 177.57 177.60 1sbm h ARG 155 N 0.00 0.23 -0.36 1.57 2.43 -1.14 -1.53 114.38 115.58 1sbm h ARG 155 Ca 0.01 -0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.10 1sbm h ARG 155 Cb 0.01 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.50 1sbm h ARG 155 CO -0.02 0.15 -0.02 1.15 -1.51 0.00 0.00 179.97 179.72 1sbm h THR 156 N 0.24 1.26 -0.12 0.20 2.02 -1.24 -3.10 112.91 112.16 1sbm h THR 156 Ca 0.13 -1.02 0.02 0.00 0.77 0.00 0.00 66.41 66.31 1sbm h THR 156 Cb 0.09 1.22 -0.02 0.00 -1.74 0.00 0.00 68.15 67.70 1sbm h THR 156 CO -0.13 0.34 -0.03 0.15 0.37 0.00 0.00 175.52 176.23 1sbm h PHE 157 N 0.45 -0.05 0.00 3.16 3.57 -0.49 -2.53 116.94 121.04 1sbm h PHE 157 Ca 0.10 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.61 1sbm h PHE 157 Cb 0.49 0.04 0.00 0.00 2.79 0.00 0.00 35.95 39.27 1sbm h PHE 157 CO 0.04 -0.05 0.00 1.19 -2.23 0.00 0.00 178.31 177.26 1sbm n PHE 158 N -5.15 0.19 0.22 0.41 3.01 -0.60 -1.81 117.46 113.73 1sbm n PHE 158 Ca -0.04 0.08 0.08 0.00 1.01 0.00 0.00 57.45 58.58 1sbm n PHE 158 Cb 0.09 -0.63 0.51 0.00 -0.01 0.00 0.00 39.48 39.44 1sbm n PHE 158 CO 0.00 0.00 0.00 1.96 1.01 0.00 0.00 176.76 179.73 1sbm h GLN 159 N 0.00 0.00 0.00 -1.08 4.20 -1.37 -1.32 115.11 115.54 1sbm h GLN 159 Ca 0.00 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.67 1sbm h GLN 159 Cb 0.21 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.99 1sbm h GLN 159 CO 0.00 0.25 -0.17 -0.09 -0.67 0.00 0.00 178.83 178.15 1sbm h ARG 160 N 0.00 0.00 -0.70 1.46 2.43 -1.48 -1.23 114.38 114.86 1sbm h ARG 160 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1sbm h ARG 160 Cb 0.59 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.14 1sbm h ARG 160 CO 0.03 0.17 0.00 1.28 -1.51 0.00 0.00 179.97 179.94 1sbm n LEU 161 N -3.49 4.29 -3.75 3.80 4.77 -0.59 -2.03 117.00 120.00 1sbm n LEU 161 Ca -0.01 -2.16 -0.26 0.00 -0.03 0.00 0.00 56.01 53.55 1sbm n LEU 161 Cb 0.33 -0.53 0.05 0.00 -2.33 0.00 0.00 43.42 40.94 1sbm n LEU 161 CO 0.31 0.89 0.14 -3.20 -1.33 0.00 0.00 177.39 174.20 1sbm n ASN 162 N 1.39 -4.79 -4.47 -1.43 5.15 -0.47 -4.99 115.26 105.65 1sbm n ASN 162 Ca 0.25 -0.69 -0.33 0.00 -0.60 0.00 0.00 54.58 53.21 1sbm n ASN 162 Cb 0.74 -4.39 -0.13 0.00 -0.53 0.00 0.00 39.78 35.47 1sbm n ASN 162 CO 0.00 0.00 0.00 -0.04 1.40 0.00 0.00 177.26 178.62 1sbm s MET 163 N -6.36 2.82 0.30 1.20 -1.94 -0.63 -5.02 119.30 109.66 1sbm s MET 163 Ca 0.52 -0.66 0.02 0.00 -1.71 0.00 0.00 55.69 53.86 1sbm s MET 163 Cb -0.25 -2.50 0.05 0.00 2.01 0.00 0.00 34.83 34.14 1sbm s MET 163 CO 0.79 0.51 0.41 0.27 -0.01 0.00 0.00 175.02 176.99 1sbm n ASN 164 N 2.65 0.79 -0.10 3.03 0.23 -1.26 -4.14 115.26 116.46 1sbm n ASN 164 Ca -0.18 -1.61 -0.06 0.00 -0.53 0.00 0.00 54.58 52.21 1sbm n ASN 164 Cb 0.52 -0.24 0.01 0.00 -2.08 0.00 0.00 39.78 38.00 1sbm n ASN 164 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 1sbm h ASP 165 N -0.11 -0.10 -0.66 0.53 5.19 -1.99 -0.49 116.42 118.79 1sbm h ASP 165 Ca -0.14 0.07 -0.07 0.00 -0.62 0.00 0.00 57.03 56.28 1sbm h ASP 165 Cb 0.56 0.13 -0.03 0.00 0.18 0.00 0.00 39.33 40.17 1sbm h ASP 165 CO 0.17 -0.02 0.15 0.03 -3.12 0.00 0.00 179.24 176.45 1sbm h ARG 166 N 0.12 1.07 -0.62 3.56 3.08 -1.96 -1.37 114.38 118.26 1sbm h ARG 166 Ca 0.17 -0.26 -0.05 0.00 0.07 0.00 0.00 59.98 59.90 1sbm h ARG 166 Cb 0.22 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 30.11 1sbm h ARG 166 CO -0.27 0.96 0.18 0.93 -1.07 0.00 0.00 179.97 180.70 1sbm h GLU 167 N 0.99 0.97 0.05 0.04 5.08 -1.86 -0.71 114.58 119.14 1sbm h GLU 167 Ca 0.21 -0.22 -0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1sbm h GLU 167 Cb 0.38 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.50 1sbm h GLU 167 CO 0.00 0.87 -0.02 0.28 -1.00 0.00 0.00 179.01 179.14 1sbm h VAL 168 N 0.89 1.08 -0.89 3.13 2.07 -0.87 -0.90 116.25 120.76 1sbm h VAL 168 Ca 0.20 -0.42 -0.02 0.00 0.82 0.00 0.00 66.70 67.28 1sbm h VAL 168 Cb 0.32 1.35 -0.04 0.00 -1.52 0.00 0.00 31.29 31.40 1sbm h VAL 168 CO -0.00 0.11 0.48 0.58 0.02 0.00 0.00 177.57 178.75 1sbm h VAL 169 N -0.25 1.26 -0.22 2.57 2.07 -1.17 -1.78 116.25 118.73 1sbm h VAL 169 Ca -0.01 -0.66 -0.01 0.00 0.82 0.00 0.00 66.70 66.84 1sbm h VAL 169 Cb 0.22 0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.05 1sbm h VAL 169 CO 0.01 0.30 0.09 0.00 0.02 0.00 0.00 177.57 177.99 1sbm h ALA 170 N 1.26 0.29 -0.97 1.67 0.00 -1.03 -3.01 119.26 117.47 1sbm h ALA 170 Ca 0.31 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 55.12 1sbm h ALA 170 Cb 0.04 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.70 1sbm h ALA 170 CO -0.05 -0.12 0.65 -0.07 0.00 0.00 0.00 179.25 179.66 1sbm h LEU 171 N 0.21 1.12 -1.95 0.00 3.38 -0.86 -1.81 115.31 115.39 1sbm h LEU 171 Ca 0.07 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1sbm h LEU 171 Cb 0.17 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.64 1sbm h LEU 171 CO -0.01 0.81 0.00 0.24 0.09 0.00 0.00 178.44 179.57 1sbm h MET 172 N 1.32 0.00 0.00 1.13 2.86 -1.20 -2.01 114.93 117.03 1sbm h MET 172 Ca 0.36 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.00 1sbm h MET 172 Cb -0.15 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.51 1sbm h MET 172 CO -0.08 0.00 0.00 0.78 1.06 0.00 0.00 176.91 178.67 1sbm h GLY 173 N 0.72 0.00 2.00 8.32 0.00 -1.25 -0.89 103.07 111.97 1sbm h GLY 173 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1sbm h GLY 173 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.54 1sbm n ALA 174 N -1.85 1.46 1.09 3.60 0.00 -0.76 -1.99 120.51 122.06 1sbm n ALA 174 Ca -0.01 0.02 0.07 0.00 0.00 0.00 0.00 53.44 53.53 1sbm n ALA 174 Cb 0.10 -1.24 0.43 0.00 0.00 0.00 0.00 19.45 18.74 1sbm n ALA 174 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1sbm n HIS 175 N -1.77 0.00 0.28 0.00 8.25 -0.34 -1.00 115.22 120.64 1sbm n HIS 175 Ca 0.02 0.00 0.17 0.00 -0.26 0.00 0.00 57.72 57.65 1sbm n HIS 175 Cb 0.14 0.00 0.64 0.00 1.12 0.00 0.00 29.99 31.89 1sbm n HIS 175 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1sbm h ALA 176 N 2.92 1.00 -2.66 -1.41 0.00 -1.64 -3.39 119.26 114.08 1sbm h ALA 176 Ca 0.00 0.00 -0.59 0.00 0.00 0.00 0.00 54.91 54.32 1sbm h ALA 176 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.74 1sbm h ALA 176 CO 0.00 0.00 -0.21 -0.51 0.00 0.00 0.00 179.25 178.53 1sbm s LEU 177 N -6.07 4.38 0.00 0.00 1.43 -0.17 -4.14 118.68 114.12 1sbm s LEU 177 Ca 0.02 0.89 0.00 0.00 -1.03 0.00 0.00 54.13 54.00 1sbm s LEU 177 Cb 0.09 -2.92 0.00 0.00 0.03 0.00 0.00 46.19 43.39 1sbm s LEU 177 CO 0.54 0.20 0.00 0.61 0.23 0.00 0.00 176.35 177.94 1sbm n GLY 178 N 1.15 1.56 3.80 -3.19 0.00 0.91 -4.89 105.19 104.52 1sbm n GLY 178 Ca -0.09 -0.55 -0.05 0.00 0.00 0.00 0.00 46.02 45.33 1sbm n GLY 178 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1sbm s LYS 179 N 0.00 1.46 0.11 1.61 -2.85 -1.26 -4.23 119.74 114.57 1sbm s LYS 179 Ca 0.00 -0.83 -0.11 0.00 -1.00 0.00 0.00 55.97 54.03 1sbm s LYS 179 Cb 0.00 0.48 -0.06 0.00 -2.06 0.00 0.00 37.83 36.19 1sbm s LYS 179 CO 0.00 -0.67 0.46 0.95 0.10 0.00 0.00 175.35 176.19 1sbm s THR 180 N -3.33 5.01 -0.16 3.79 -4.23 -0.19 -4.96 115.64 111.56 1sbm s THR 180 Ca 0.13 0.57 0.01 0.00 -1.18 0.00 0.00 61.69 61.22 1sbm s THR 180 Cb -0.03 -3.67 0.02 0.00 1.34 0.00 0.00 72.50 70.15 1sbm s THR 180 CO 0.05 0.25 -0.18 -1.00 -0.54 0.00 0.00 174.62 173.19 1sbm s HIS 181 N -1.45 2.54 0.28 3.99 0.09 -1.06 -2.23 115.29 117.46 1sbm s HIS 181 Ca 0.35 -1.44 0.02 0.00 -0.00 0.00 0.00 55.06 54.00 1sbm s HIS 181 Cb -0.14 -1.78 0.69 0.00 -0.00 0.00 0.00 32.58 31.35 1sbm s HIS 181 CO 0.19 -0.72 1.66 1.25 -0.00 0.00 0.00 174.74 177.12 1sbm h LEU 182 N 7.84 0.09 -1.62 0.89 5.85 -1.17 0.61 115.31 127.81 1sbm h LEU 182 Ca -0.41 0.18 -0.04 0.00 0.84 0.00 0.00 57.88 58.45 1sbm h LEU 182 Cb 1.15 0.22 -0.01 0.00 0.37 0.00 0.00 40.66 42.40 1sbm h LEU 182 CO 0.59 -0.10 -0.21 0.11 -0.34 0.00 0.00 178.44 178.49 1sbm h LYS 183 N 0.26 0.00 0.08 1.25 1.79 -1.96 -0.96 116.57 117.04 1sbm h LYS 183 Ca 0.54 0.00 -0.27 0.00 -2.18 0.00 0.00 60.65 58.74 1sbm h LYS 183 Cb 1.06 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.69 1sbm h LYS 183 CO -0.60 0.21 -1.42 -0.91 -1.08 0.00 0.00 179.45 175.64 1sbm h ASN 184 N 0.00 0.28 0.00 0.86 2.35 -1.22 -3.44 115.58 114.41 1sbm h ASN 184 Ca -0.00 -0.80 0.00 0.00 -0.55 0.00 0.00 56.30 54.95 1sbm h ASN 184 Cb 0.45 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 38.73 1sbm h ASN 184 CO 0.03 1.61 0.00 -1.54 -1.65 0.00 0.00 177.43 175.87 1sbm n SER 185 N -3.99 0.23 0.00 5.81 3.41 -0.80 -4.66 113.62 113.61 1sbm n SER 185 Ca -0.27 -0.57 0.00 0.00 -0.26 0.00 0.00 58.87 57.77 1sbm n SER 185 Cb 0.86 0.48 0.00 0.00 -0.26 0.00 0.00 64.21 65.29 1sbm n SER 185 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1sbm n GLY 186 N 0.48 0.59 3.12 5.00 0.00 -0.36 -5.03 105.19 108.99 1sbm n GLY 186 Ca 0.00 -0.45 -0.16 0.00 0.00 0.00 0.00 46.02 45.41 1sbm n GLY 186 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1sbm s TYR 187 N -2.00 0.98 -0.02 1.61 2.02 -1.26 -4.66 117.35 114.02 1sbm s TYR 187 Ca 0.00 -0.44 0.00 0.00 -0.37 0.00 0.00 57.07 56.26 1sbm s TYR 187 Cb 0.00 -0.57 0.02 0.00 -0.40 0.00 0.00 41.96 41.01 1sbm s TYR 187 CO 0.00 -0.00 0.00 -2.00 -1.57 0.00 0.00 175.55 171.98 1sbm s GLU 188 N -1.53 0.22 0.00 -0.62 2.56 -1.26 -0.52 118.70 117.54 1sbm s GLU 188 Ca -0.04 0.06 0.00 0.00 0.00 0.00 0.00 54.97 54.99 1sbm s GLU 188 Cb -0.09 -0.38 0.00 0.00 2.00 0.00 0.00 34.13 35.66 1sbm s GLU 188 CO 0.01 -0.10 0.00 0.41 -0.56 0.00 0.00 175.26 175.02 1sbm n GLY 189 N 3.92 3.52 3.91 -1.50 0.00 -0.95 -4.88 105.19 109.21 1sbm n GLY 189 Ca -0.24 -1.82 -0.27 0.00 0.00 0.00 0.00 46.02 43.69 1sbm n GLY 189 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1sbm s PRO 190 N -3.31 3.55 0.25 1.61 0.04 -1.26 -1.03 135.00 134.86 1sbm s PRO 190 Ca 0.00 0.12 0.23 0.00 0.04 0.00 0.00 61.00 61.39 1sbm s PRO 190 Cb 0.00 -2.44 0.09 0.00 0.04 0.00 0.00 34.50 32.20 1sbm s PRO 190 CO 0.00 -0.12 1.18 -1.49 0.04 0.00 0.00 177.00 176.61 1sbm h TRP 191 N 0.45 0.00 -1.43 0.56 6.55 -1.74 0.48 115.95 120.82 1sbm h TRP 191 Ca -0.47 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.37 1sbm h TRP 191 Cb 1.20 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 29.50 1sbm h TRP 191 CO 0.57 0.00 0.00 0.41 -1.05 0.00 0.00 178.44 178.37 1sbm n GLY 192 N 1.17 2.83 0.13 1.49 0.00 -1.26 -4.58 105.19 104.96 1sbm n GLY 192 Ca 0.01 -0.94 -0.19 0.00 0.00 0.00 0.00 46.02 44.90 1sbm n GLY 192 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sbm n ALA 193 N -3.00 1.04 -2.16 4.61 0.00 -1.26 -4.53 120.51 115.21 1sbm n ALA 193 Ca 0.00 -0.69 -0.41 0.00 0.00 0.00 0.00 53.44 52.35 1sbm n ALA 193 Cb 0.00 -0.63 0.00 0.00 0.00 0.00 0.00 19.45 18.82 1sbm n ALA 193 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1sbm n ALA 194 N -2.96 6.46 -0.48 0.00 0.00 -1.26 -4.82 120.51 117.45 1sbm n ALA 194 Ca -0.32 -4.21 0.40 0.00 0.00 0.00 0.00 53.44 49.31 1sbm n ALA 194 Cb 1.04 -2.71 0.72 0.00 0.00 0.00 0.00 19.45 18.51 1sbm n ALA 194 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 1sbm h ASN 195 N 4.73 0.12 0.00 0.00 2.35 -1.80 -1.76 115.58 119.22 1sbm h ASN 195 Ca 0.62 0.05 -0.00 0.00 -0.55 0.00 0.00 56.30 56.42 1sbm h ASN 195 Cb 0.36 0.04 -0.00 0.00 0.05 0.00 0.00 38.32 38.76 1sbm h ASN 195 CO 1.45 -0.04 -0.30 -0.46 -1.65 0.00 0.00 177.43 176.43 1sbm n ASN 196 N -4.30 1.95 -4.00 5.81 0.23 -1.26 -0.07 115.26 113.62 1sbm n ASN 196 Ca 0.35 -3.54 -0.27 0.00 -0.53 0.00 0.00 54.58 50.59 1sbm n ASN 196 Cb 1.51 -0.48 -0.17 0.00 -2.08 0.00 0.00 39.78 38.56 1sbm n ASN 196 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 1sbm s VAL 197 N -3.03 1.24 -0.41 3.53 1.01 -0.66 -4.73 120.40 117.35 1sbm s VAL 197 Ca 0.35 -0.49 -0.29 0.00 0.00 0.00 0.00 61.98 61.55 1sbm s VAL 197 Cb 0.33 -1.17 0.02 0.00 0.00 0.00 0.00 36.38 35.57 1sbm s VAL 197 CO -0.03 0.39 1.14 0.12 0.00 0.00 0.00 175.10 176.72 1sbm s PHE 198 N 1.09 2.91 0.23 5.22 5.36 0.49 -4.79 117.98 128.48 1sbm s PHE 198 Ca -0.06 0.89 0.01 0.00 -0.96 0.00 0.00 56.93 56.82 1sbm s PHE 198 Cb -0.14 -4.14 -0.00 0.00 -0.34 0.00 0.00 43.02 38.39 1sbm s PHE 198 CO -0.02 -1.15 0.27 0.25 -1.46 0.00 0.00 175.22 173.11 1sbm n THR 199 N 6.48 0.00 -0.38 0.12 -2.24 -1.26 -4.41 114.28 112.59 1sbm n THR 199 Ca 0.12 -1.37 0.00 0.00 -2.27 0.00 0.00 64.05 60.54 1sbm n THR 199 Cb 0.48 0.76 0.25 0.00 -2.10 0.00 0.00 70.33 69.73 1sbm n THR 199 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1sbm n ASN 200 N -1.94 4.16 -0.06 3.42 2.04 -1.26 -4.52 115.26 117.10 1sbm n ASN 200 Ca 0.02 -2.76 0.17 0.00 -0.44 0.00 0.00 54.58 51.58 1sbm n ASN 200 Cb 0.40 -0.66 0.61 0.00 -2.53 0.00 0.00 39.78 37.60 1sbm n ASN 200 CO 0.00 0.00 0.00 -0.08 -0.44 0.00 0.00 177.26 176.74 1sbm h GLU 201 N 2.35 0.18 -0.37 -3.83 4.81 -1.95 -2.49 114.58 113.27 1sbm h GLU 201 Ca 0.10 -0.01 0.07 0.00 -0.13 0.00 0.00 59.36 59.39 1sbm h GLU 201 Cb 1.71 -0.04 -0.06 0.00 0.63 0.00 0.00 28.75 30.99 1sbm h GLU 201 CO 0.44 0.12 -0.03 0.35 -0.73 0.00 0.00 179.01 179.15 1sbm h PHE 202 N 0.18 -0.09 -0.41 0.92 3.57 -1.84 0.68 116.94 119.96 1sbm h PHE 202 Ca 0.29 0.03 -0.13 0.00 3.53 0.00 0.00 57.97 61.69 1sbm h PHE 202 Cb 0.89 0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.71 1sbm h PHE 202 CO -0.00 -0.11 -0.26 1.88 -2.23 0.00 0.00 178.31 177.59 1sbm h TYR 203 N 0.06 1.05 -0.68 0.41 -1.99 -1.79 -1.76 116.97 112.27 1sbm h TYR 203 Ca 0.18 -0.28 -0.02 0.00 2.00 0.00 0.00 58.73 60.61 1sbm h TYR 203 Cb 0.27 -0.24 -0.03 0.00 2.00 0.00 0.00 36.73 38.73 1sbm h TYR 203 CO -0.29 1.08 0.35 -0.07 -0.00 0.00 0.00 178.16 179.23 1sbm h LEU 204 N 0.72 0.87 -0.46 3.88 3.38 -1.39 -2.21 115.31 120.10 1sbm h LEU 204 Ca 0.08 -0.12 -0.07 0.00 0.09 0.00 0.00 57.88 57.87 1sbm h LEU 204 Cb 0.84 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.35 1sbm h LEU 204 CO 0.07 0.74 0.02 0.78 0.09 0.00 0.00 178.44 180.15 1sbm h ASN 205 N 0.94 0.78 -0.75 -0.43 2.35 -0.76 0.16 115.58 117.87 1sbm h ASN 205 Ca 0.24 -0.29 0.07 0.00 -0.55 0.00 0.00 56.30 55.76 1sbm h ASN 205 Cb 0.08 -0.21 -0.06 0.00 0.05 0.00 0.00 38.32 38.18 1sbm h ASN 205 CO -0.03 0.88 0.44 -0.07 -1.65 0.00 0.00 177.43 177.00 1sbm h LEU 206 N 0.66 0.66 0.07 1.61 3.38 -1.09 -1.49 115.31 119.11 1sbm h LEU 206 Ca 0.13 0.03 -0.26 0.00 0.09 0.00 0.00 57.88 57.88 1sbm h LEU 206 Cb 0.47 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 1sbm h LEU 206 CO 0.02 0.41 -1.26 -0.07 0.09 0.00 0.00 178.44 177.64 1sbm h LEU 207 N 0.79 0.23 0.00 1.67 3.38 -1.20 -3.40 115.31 116.78 1sbm h LEU 207 Ca 0.34 -0.27 -0.16 0.00 0.09 0.00 0.00 57.88 57.88 1sbm h LEU 207 Cb 0.21 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 40.86 1sbm h LEU 207 CO -0.19 1.22 -2.06 0.59 0.09 0.00 0.00 178.44 178.09 1sbm n ASN 208 N -3.41 0.12 -4.83 -0.43 5.03 0.56 -4.98 115.26 107.31 1sbm n ASN 208 Ca -0.08 0.05 -0.32 0.00 0.87 0.00 0.00 54.58 55.10 1sbm n ASN 208 Cb 1.00 1.36 -0.01 0.00 -1.02 0.00 0.00 39.78 41.11 1sbm n ASN 208 CO 0.00 0.00 0.00 -1.61 -1.83 0.00 0.00 177.26 173.82 1sbm s GLU 209 N -3.05 3.62 -0.53 3.52 0.41 -0.57 -5.01 118.70 117.10 1sbm s GLU 209 Ca -0.08 0.99 -0.18 0.00 -0.41 0.00 0.00 54.97 55.30 1sbm s GLU 209 Cb 0.10 -2.08 0.09 0.00 -1.78 0.00 0.00 34.13 30.46 1sbm s GLU 209 CO 0.86 -0.55 0.57 0.34 -0.49 0.00 0.00 175.26 176.00 1sbm s ASP 210 N -3.23 6.19 0.05 -0.19 3.68 -1.26 -4.96 116.67 116.94 1sbm s ASP 210 Ca 0.60 -1.34 -0.15 0.00 2.13 0.00 0.00 52.55 53.79 1sbm s ASP 210 Cb -0.12 -2.25 -0.06 0.00 -1.45 0.00 0.00 42.92 39.03 1sbm s ASP 210 CO 0.39 -0.89 0.47 0.26 0.13 0.00 0.00 175.17 175.52 1sbm s TRP 211 N 2.21 3.72 -0.06 -5.34 0.52 -1.26 -4.31 118.94 114.41 1sbm s TRP 211 Ca 0.09 1.06 0.04 0.00 0.02 0.00 0.00 56.10 57.30 1sbm s TRP 211 Cb -0.24 -2.34 0.00 0.00 -1.15 0.00 0.00 33.47 29.74 1sbm s TRP 211 CO 0.07 0.59 -0.16 0.15 0.02 0.00 0.00 176.95 177.62 1sbm s LYS 212 N -1.30 1.93 -0.45 4.98 1.02 0.01 -4.92 119.74 121.01 1sbm s LYS 212 Ca 0.28 -0.58 -0.29 0.00 0.02 0.00 0.00 55.97 55.40 1sbm s LYS 212 Cb -0.17 -1.60 0.03 0.00 -0.52 0.00 0.00 37.83 35.57 1sbm s LYS 212 CO 0.16 0.16 1.13 -1.17 -0.92 0.00 0.00 175.35 174.71 1sbm s LEU 213 N 0.29 3.69 0.36 3.17 2.96 -1.26 -0.98 118.68 126.91 1sbm s LEU 213 Ca -0.10 0.58 0.04 0.00 -0.22 0.00 0.00 54.13 54.43 1sbm s LEU 213 Cb -0.14 -3.55 -0.05 0.00 0.50 0.00 0.00 46.19 42.95 1sbm s LEU 213 CO 0.04 -1.19 0.07 -1.61 -1.32 0.00 0.00 176.35 172.34 1sbm s GLU 214 N 4.32 1.77 -0.16 1.98 2.02 -0.33 -4.96 118.70 123.35 1sbm s GLU 214 Ca 0.48 -2.03 -0.05 0.00 0.02 0.00 0.00 54.97 53.39 1sbm s GLU 214 Cb -0.08 -0.86 -0.04 0.00 0.10 0.00 0.00 34.13 33.25 1sbm s GLU 214 CO 0.29 -0.27 0.02 0.15 0.02 0.00 0.00 175.26 175.47 1sbm s LYS 215 N -3.84 3.72 0.54 1.61 -0.14 -1.26 -1.07 119.74 119.31 1sbm s LYS 215 Ca 0.31 -0.41 -0.04 0.00 -1.36 0.00 0.00 55.97 54.47 1sbm s LYS 215 Cb 0.07 -3.05 0.12 0.00 -1.68 0.00 0.00 37.83 33.28 1sbm s LYS 215 CO 0.14 0.34 0.74 0.27 -0.76 0.00 0.00 175.35 176.09 1sbm n ASN 216 N 3.29 0.57 0.00 2.83 0.23 -0.03 -4.91 115.26 117.23 1sbm n ASN 216 Ca -0.17 -1.58 0.06 0.00 -0.53 0.00 0.00 54.58 52.36 1sbm n ASN 216 Cb 0.53 -0.52 0.28 0.00 -2.08 0.00 0.00 39.78 37.99 1sbm n ASN 216 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 1sbm n ASP 217 N -3.18 0.00 -1.26 0.53 8.00 -1.26 -1.40 116.55 117.97 1sbm n ASP 217 Ca 0.11 0.28 0.12 0.00 0.71 0.00 0.00 54.79 56.01 1sbm n ASP 217 Cb 0.38 -0.38 0.27 0.00 -0.02 0.00 0.00 41.12 41.37 1sbm n ASP 217 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1sbm n ALA 218 N -1.38 2.40 -2.15 2.24 0.00 -1.26 -4.93 120.51 115.43 1sbm n ALA 218 Ca 0.04 -1.13 -0.13 0.00 0.00 0.00 0.00 53.44 52.22 1sbm n ALA 218 Cb 0.12 -0.90 -0.01 0.00 0.00 0.00 0.00 19.45 18.65 1sbm n ALA 218 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1sbm n ASN 219 N 1.59 -4.10 -4.55 0.00 4.05 -0.49 -5.02 115.26 106.72 1sbm n ASN 219 Ca 0.22 0.02 -0.32 0.00 0.45 0.00 0.00 54.58 54.96 1sbm n ASN 219 Cb 0.62 -3.24 -0.11 0.00 1.23 0.00 0.00 39.78 38.28 1sbm n ASN 219 CO 0.00 0.00 0.00 0.20 -3.05 0.00 0.00 177.26 174.41 1sbm s ASN 220 N -2.46 4.37 0.26 1.20 0.01 -1.26 -4.87 114.94 112.18 1sbm s ASN 220 Ca 0.00 -0.24 -0.26 0.00 -0.71 0.00 0.00 52.86 51.65 1sbm s ASN 220 Cb 0.00 -0.93 -0.09 0.00 0.41 0.00 0.00 41.25 40.64 1sbm s ASN 220 CO 0.00 0.27 0.87 -1.61 -1.51 0.00 0.00 177.10 175.12 1sbm s GLU 221 N -1.47 4.57 0.10 -0.60 2.02 -1.26 -0.86 118.70 121.21 1sbm s GLU 221 Ca 0.17 1.24 -0.18 0.00 0.02 0.00 0.00 54.97 56.22 1sbm s GLU 221 Cb -0.11 -3.00 0.04 0.00 0.10 0.00 0.00 34.13 31.17 1sbm s GLU 221 CO 0.07 0.40 0.45 1.14 0.02 0.00 0.00 175.26 177.34 1sbm s GLN 222 N -1.70 1.07 -0.21 1.61 -2.07 -0.23 -4.64 119.66 113.49 1sbm s GLN 222 Ca 0.44 -0.54 -0.15 0.00 -1.82 0.00 0.00 55.36 53.29 1sbm s GLN 222 Cb -0.21 0.48 -0.04 0.00 -1.09 0.00 0.00 33.01 32.15 1sbm s GLN 222 CO 0.25 -0.41 0.36 -1.58 -1.32 0.00 0.00 175.29 172.59 1sbm s TRP 223 N -3.36 3.36 0.13 9.60 0.52 -0.32 -1.19 118.94 127.69 1sbm s TRP 223 Ca -0.00 0.54 0.10 0.00 0.02 0.00 0.00 56.10 56.77 1sbm s TRP 223 Cb 0.01 -2.48 -0.04 0.00 -1.15 0.00 0.00 33.47 29.80 1sbm s TRP 223 CO -0.09 -0.00 -0.24 -0.51 0.02 0.00 0.00 176.95 176.13 1sbm s ASP 224 N 1.06 3.52 0.16 2.95 1.01 -0.16 -0.10 116.67 125.12 1sbm s ASP 224 Ca 0.17 -0.70 0.10 0.00 0.71 0.00 0.00 52.55 52.83 1sbm s ASP 224 Cb -0.15 -0.33 -0.04 0.00 1.01 0.00 0.00 42.92 43.41 1sbm s ASP 224 CO 0.07 0.17 -0.23 -0.55 0.21 0.00 0.00 175.17 174.84 1sbm s SER 225 N -2.16 3.18 0.13 0.27 0.15 -0.49 -0.81 113.70 113.97 1sbm s SER 225 Ca 0.16 -0.82 0.13 0.00 0.70 0.00 0.00 55.95 56.12 1sbm s SER 225 Cb -0.10 -0.22 0.61 0.00 -1.71 0.00 0.00 66.02 64.60 1sbm s SER 225 CO 0.08 0.10 1.39 0.29 1.20 0.00 0.00 173.24 176.30 1sbm n LYS 226 N 0.50 0.07 0.00 5.44 4.76 -1.26 -1.00 118.16 126.67 1sbm n LYS 226 Ca -0.15 0.48 0.14 0.00 -2.87 0.00 0.00 58.31 55.92 1sbm n LYS 226 Cb 0.55 -1.69 0.63 0.00 -1.84 0.00 0.00 35.03 32.68 1sbm n LYS 226 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 1sbm n SER 227 N -1.84 0.00 0.00 4.39 7.64 -1.26 -4.89 113.62 117.67 1sbm n SER 227 Ca 0.01 0.34 0.00 0.00 1.01 0.00 0.00 58.87 60.22 1sbm n SER 227 Cb 0.08 -0.45 0.00 0.00 -1.01 0.00 0.00 64.21 62.83 1sbm n SER 227 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1sbm n GLY 228 N 1.34 0.82 3.87 0.23 0.00 -0.17 -5.07 105.19 106.21 1sbm n GLY 228 Ca 0.09 -0.31 -0.21 0.00 0.00 0.00 0.00 46.02 45.58 1sbm n GLY 228 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1sbm s TYR 229 N -2.00 2.97 0.09 1.61 4.12 -1.23 -4.43 117.35 118.47 1sbm s TYR 229 Ca 0.00 -0.26 -0.03 0.00 0.02 0.00 0.00 57.07 56.81 1sbm s TYR 229 Cb 0.00 -1.75 -0.03 0.00 -1.52 0.00 0.00 41.96 38.66 1sbm s TYR 229 CO 0.00 0.22 0.05 0.00 0.02 0.00 0.00 175.55 175.84 1sbm s MET 230 N -3.99 0.77 -0.01 -0.62 0.23 0.16 -1.40 119.30 114.45 1sbm s MET 230 Ca 0.40 -1.25 0.00 0.00 -1.03 0.00 0.00 55.69 53.81 1sbm s MET 230 Cb -0.07 0.25 0.01 0.00 -1.53 0.00 0.00 34.83 33.49 1sbm s MET 230 CO 0.27 -0.20 0.01 -1.64 -2.03 0.00 0.00 175.02 171.43 1sbm s MET 231 N -3.95 -0.01 0.73 3.16 -1.94 0.86 -4.22 119.30 113.92 1sbm s MET 231 Ca 0.13 0.05 -0.11 0.00 -1.71 0.00 0.00 55.69 54.04 1sbm s MET 231 Cb 0.07 -0.07 0.03 0.00 2.01 0.00 0.00 34.83 36.87 1sbm s MET 231 CO -0.06 -0.04 1.07 -0.51 -0.01 0.00 0.00 175.02 175.47 1sbm s LEU 232 N 0.28 3.02 0.37 -0.03 1.43 -1.26 -1.17 118.68 121.32 1sbm s LEU 232 Ca -0.02 1.60 0.08 0.00 -1.03 0.00 0.00 54.13 54.76 1sbm s LEU 232 Cb -0.03 -4.41 0.81 0.00 0.03 0.00 0.00 46.19 42.59 1sbm s LEU 232 CO -0.01 -1.64 1.95 -0.65 0.23 0.00 0.00 176.35 176.23 1sbm h PRO 233 N -0.86 0.66 -0.23 1.29 0.11 -1.80 -0.76 132.00 130.42 1sbm h PRO 233 Ca -0.44 -0.04 -0.13 0.00 0.11 0.00 0.00 66.00 65.50 1sbm h PRO 233 Cb 1.22 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 1sbm h PRO 233 CO 0.56 0.44 -0.39 1.79 -0.21 0.00 0.00 178.00 180.19 1sbm h THR 234 N 0.68 1.30 -0.17 -1.15 1.35 -1.54 -1.41 112.91 111.97 1sbm h THR 234 Ca 0.32 -1.54 -0.02 0.00 -0.55 0.00 0.00 66.41 64.62 1sbm h THR 234 Cb 0.36 1.55 -0.01 0.00 -1.73 0.00 0.00 68.15 68.33 1sbm h THR 234 CO -0.11 0.48 0.04 0.44 -0.25 0.00 0.00 175.52 176.13 1sbm h ASP 235 N 0.44 0.26 0.25 5.36 3.32 -1.52 -2.81 116.42 121.72 1sbm h ASP 235 Ca 0.04 -0.23 -0.04 0.00 0.02 0.00 0.00 57.03 56.82 1sbm h ASP 235 Cb 0.88 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 40.35 1sbm h ASP 235 CO 0.07 0.42 -0.18 0.22 -1.72 0.00 0.00 179.24 178.06 1sbm h TYR 236 N 0.08 0.00 0.00 4.55 5.03 -1.07 -1.74 116.97 123.82 1sbm h TYR 236 Ca 0.05 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.36 1sbm h TYR 236 Cb 0.26 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.54 1sbm h TYR 236 CO 0.01 0.18 0.00 0.66 -1.32 0.00 0.00 178.16 177.69 1sbm h SER 237 N 0.00 0.00 0.76 -2.11 4.64 -0.98 -1.62 113.55 114.24 1sbm h SER 237 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1sbm h SER 237 Cb 0.35 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 1sbm h SER 237 CO 0.02 0.00 0.00 -0.07 -0.87 0.00 0.00 176.83 175.91 1sbm h LEU 238 N 0.00 0.00 -1.02 5.97 3.38 -1.33 -1.62 115.31 120.69 1sbm h LEU 238 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1sbm h LEU 238 Cb 0.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1sbm h LEU 238 CO 0.00 0.00 -0.17 2.30 0.09 0.00 0.00 178.44 180.66 1sbm n ILE 239 N -2.87 0.00 -0.01 1.22 -5.35 -0.62 -1.39 119.36 110.34 1sbm n ILE 239 Ca 0.00 -0.42 -0.14 0.00 -0.27 0.00 0.00 62.75 61.93 1sbm n ILE 239 Cb 0.24 1.18 -0.14 0.00 -1.74 0.00 0.00 39.64 39.18 1sbm n ILE 239 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1sbm n GLN 240 N 0.08 0.69 -2.90 6.28 6.02 -0.89 -4.80 117.38 121.86 1sbm n GLN 240 Ca 0.06 0.27 -0.41 0.00 -0.01 0.00 0.00 57.00 56.91 1sbm n GLN 240 Cb 0.27 -1.75 -0.04 0.00 1.02 0.00 0.00 30.24 29.74 1sbm n GLN 240 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1sbm s ASP 241 N -6.47 7.09 0.41 1.08 2.15 -0.66 -4.97 116.67 115.29 1sbm s ASP 241 Ca -0.12 1.32 0.09 0.00 0.43 0.00 0.00 52.55 54.26 1sbm s ASP 241 Cb 0.07 -2.47 0.86 0.00 -0.30 0.00 0.00 42.92 41.08 1sbm s ASP 241 CO 0.80 -0.25 2.00 1.55 -0.17 0.00 0.00 175.17 179.10 1sbm h PRO 242 N 6.96 0.36 -0.17 4.34 0.13 -1.90 -0.10 132.00 141.61 1sbm h PRO 242 Ca -0.37 -0.05 -0.12 0.00 -0.87 0.00 0.00 66.00 64.59 1sbm h PRO 242 Cb 1.18 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.24 1sbm h PRO 242 CO 0.78 0.34 -0.37 0.87 -0.23 0.00 0.00 178.00 179.40 1sbm h LYS 243 N 0.36 0.55 -0.56 0.86 1.57 -1.93 -2.73 116.57 114.69 1sbm h LYS 243 Ca 0.09 -0.36 -0.08 0.00 -1.87 0.00 0.00 60.65 58.43 1sbm h LYS 243 Cb 0.14 0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.48 1sbm h LYS 243 CO -0.00 0.97 0.04 1.88 -0.57 0.00 0.00 179.45 181.77 1sbm h TYR 244 N 0.19 1.04 -0.67 -1.35 0.99 -1.75 -3.08 116.97 112.34 1sbm h TYR 244 Ca 0.00 -0.17 0.09 0.00 2.00 0.00 0.00 58.73 60.65 1sbm h TYR 244 Cb 0.97 -0.28 -0.07 0.00 1.00 0.00 0.00 36.73 38.35 1sbm h TYR 244 CO 0.10 0.93 0.32 1.25 -0.00 0.00 0.00 178.16 180.76 1sbm h LEU 245 N 0.85 0.41 -0.89 3.88 5.85 0.22 -0.00 115.31 125.64 1sbm h LEU 245 Ca 0.16 0.06 0.06 0.00 0.84 0.00 0.00 57.88 59.00 1sbm h LEU 245 Cb 0.49 -0.01 -0.06 0.00 0.37 0.00 0.00 40.66 41.45 1sbm h LEU 245 CO 0.02 0.24 0.56 0.28 -0.34 0.00 0.00 178.44 179.20 1sbm h SER 246 N 0.56 0.89 -0.11 1.25 0.02 -1.40 -1.07 113.55 113.69 1sbm h SER 246 Ca 0.33 0.01 -0.18 0.00 -0.84 0.00 0.00 61.79 61.11 1sbm h SER 246 Cb 0.34 -0.18 -0.00 0.00 0.14 0.00 0.00 62.40 62.70 1sbm h SER 246 CO -0.26 0.58 -0.60 0.40 -1.14 0.00 0.00 176.83 175.80 1sbm h ILE 247 N 1.03 1.30 -0.67 3.27 2.04 -1.29 -2.16 117.51 121.04 1sbm h ILE 247 Ca 0.38 -1.83 0.01 0.00 1.00 0.00 0.00 64.86 64.42 1sbm h ILE 247 Cb 0.14 1.77 -0.03 0.00 -0.74 0.00 0.00 36.82 37.96 1sbm h ILE 247 CO -0.16 0.58 0.44 0.58 0.00 0.00 0.00 178.15 179.58 1sbm h VAL 248 N 0.54 1.16 -0.55 1.67 2.07 -0.56 -1.59 116.25 118.99 1sbm h VAL 248 Ca -0.00 -0.31 -0.06 0.00 0.82 0.00 0.00 66.70 67.15 1sbm h VAL 248 Cb 1.19 0.19 -0.02 0.00 -1.52 0.00 0.00 31.29 31.13 1sbm h VAL 248 CO 0.12 0.16 0.11 0.11 0.02 0.00 0.00 177.57 178.09 1sbm h LYS 249 N 0.89 0.87 -0.14 1.57 1.57 -1.08 -1.25 116.57 119.01 1sbm h LYS 249 Ca 0.25 -0.20 -0.00 0.00 -1.87 0.00 0.00 60.65 58.83 1sbm h LYS 249 Cb -0.09 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.09 1sbm h LYS 249 CO -0.06 0.80 0.07 1.49 -0.57 0.00 0.00 179.45 181.18 1sbm h GLU 250 N 0.83 0.19 -0.01 3.15 4.81 -0.71 -2.37 114.58 120.47 1sbm h GLU 250 Ca 0.18 -0.02 -0.10 0.00 -0.13 0.00 0.00 59.36 59.28 1sbm h GLU 250 Cb 0.35 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.67 1sbm h GLU 250 CO 0.00 0.22 -0.48 1.88 -0.73 0.00 0.00 179.01 179.91 1sbm h TYR 251 N 0.11 0.02 0.00 0.92 0.99 -1.17 -2.00 116.97 115.85 1sbm h TYR 251 Ca 0.05 -0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.77 1sbm h TYR 251 Cb 0.09 -0.00 0.00 0.00 1.00 0.00 0.00 36.73 37.81 1sbm h TYR 251 CO -0.04 0.49 0.00 0.00 -0.00 0.00 0.00 178.16 178.62 1sbm h ALA 252 N 1.51 1.00 -0.22 3.88 0.00 -0.99 -3.04 119.26 121.39 1sbm h ALA 252 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1sbm h ALA 252 Cb 0.85 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.64 1sbm h ALA 252 CO 0.06 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.40 1sbm n ASN 253 N -2.97 2.53 -3.29 0.00 3.02 -0.91 -4.85 115.26 108.80 1sbm n ASN 253 Ca 0.01 -1.82 -0.08 0.00 -0.03 0.00 0.00 54.58 52.66 1sbm n ASN 253 Cb 0.30 -0.14 -0.05 0.00 -0.61 0.00 0.00 39.78 39.28 1sbm n ASN 253 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1sbm s ASP 254 N -0.95 -0.06 0.21 6.41 -1.08 -0.80 -5.02 116.67 115.38 1sbm s ASP 254 Ca 0.18 -1.09 -0.09 0.00 -0.52 0.00 0.00 52.55 51.03 1sbm s ASP 254 Cb 0.10 1.21 0.20 0.00 -1.46 0.00 0.00 42.92 42.98 1sbm s ASP 254 CO 0.14 -0.24 1.86 1.56 0.52 0.00 0.00 175.17 179.01 1sbm h GLN 255 N 7.18 0.92 -0.59 4.34 4.20 -1.88 -2.11 115.11 127.17 1sbm h GLN 255 Ca 0.03 -0.06 -0.05 0.00 0.06 0.00 0.00 58.65 58.64 1sbm h GLN 255 Cb 1.11 -0.21 -0.02 0.00 0.30 0.00 0.00 27.48 28.66 1sbm h GLN 255 CO 0.17 0.61 0.16 0.22 -0.67 0.00 0.00 178.83 179.31 1sbm h ASP 256 N 0.94 0.88 -0.59 1.46 3.58 -1.95 -1.24 116.42 119.50 1sbm h ASP 256 Ca 0.30 -0.22 -0.01 0.00 0.42 0.00 0.00 57.03 57.51 1sbm h ASP 256 Cb -0.01 -0.23 -0.03 0.00 1.72 0.00 0.00 39.33 40.78 1sbm h ASP 256 CO -0.10 0.87 0.31 0.50 -2.88 0.00 0.00 179.24 177.94 1sbm h LYS 257 N 0.84 0.83 -0.39 0.28 1.63 -1.89 -0.97 116.57 116.90 1sbm h LYS 257 Ca 0.19 -0.11 -0.01 0.00 -0.85 0.00 0.00 60.65 59.87 1sbm h LYS 257 Cb 0.32 -0.16 -0.02 0.00 -0.60 0.00 0.00 32.23 31.78 1sbm h LYS 257 CO -0.00 0.65 0.22 0.35 -3.45 0.00 0.00 179.45 177.22 1sbm h PHE 258 N 0.80 0.53 -0.31 1.91 3.57 -1.14 -0.88 116.94 121.42 1sbm h PHE 258 Ca 0.21 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.72 1sbm h PHE 258 Cb 0.07 -0.17 -0.03 0.00 2.79 0.00 0.00 35.95 38.61 1sbm h PHE 258 CO -0.01 0.40 0.15 0.74 -2.23 0.00 0.00 178.31 177.36 1sbm h PHE 259 N 0.50 0.28 -0.48 0.41 0.05 -0.86 0.20 116.94 117.04 1sbm h PHE 259 Ca 0.14 0.01 -0.05 0.00 3.82 0.00 0.00 57.97 61.89 1sbm h PHE 259 Cb 0.04 -0.08 -0.02 0.00 2.00 0.00 0.00 35.95 37.90 1sbm h PHE 259 CO -0.03 0.15 0.11 0.87 -0.18 0.00 0.00 178.31 179.23 1sbm h LYS 260 N 0.31 0.77 -0.41 1.51 1.57 -0.99 -1.25 116.57 118.08 1sbm h LYS 260 Ca 0.13 -0.19 -0.14 0.00 -1.87 0.00 0.00 60.65 58.58 1sbm h LYS 260 Cb 0.05 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.25 1sbm h LYS 260 CO -0.10 0.76 -0.31 -0.44 -0.57 0.00 0.00 179.45 178.80 1sbm h ASP 261 N 0.65 0.96 -0.53 0.86 5.19 -0.97 -2.74 116.42 119.84 1sbm h ASP 261 Ca 0.15 -0.40 -0.04 0.00 -0.62 0.00 0.00 57.03 56.12 1sbm h ASP 261 Cb 0.34 -0.27 -0.02 0.00 0.18 0.00 0.00 39.33 39.56 1sbm h ASP 261 CO 0.00 1.18 0.16 0.15 -3.12 0.00 0.00 179.24 177.62 1sbm h PHE 262 N 0.77 0.85 -0.43 4.55 3.57 -0.50 -1.68 116.94 124.07 1sbm h PHE 262 Ca 0.08 -0.09 0.06 0.00 3.53 0.00 0.00 57.97 61.55 1sbm h PHE 262 Cb 0.88 -0.25 -0.05 0.00 2.79 0.00 0.00 35.95 39.33 1sbm h PHE 262 CO 0.05 0.73 0.15 1.03 -2.23 0.00 0.00 178.31 178.04 1sbm h SER 263 N 0.72 0.15 -0.29 0.41 0.87 -1.14 0.84 113.55 115.10 1sbm h SER 263 Ca 0.17 0.05 -0.04 0.00 -1.23 0.00 0.00 61.79 60.74 1sbm h SER 263 Cb 0.28 0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 62.27 1sbm h SER 263 CO -0.01 0.12 0.03 0.11 -0.53 0.00 0.00 176.83 176.56 1sbm h LYS 264 N 0.31 0.49 -0.57 2.24 1.57 -1.33 -1.95 116.57 117.33 1sbm h LYS 264 Ca 0.20 -0.14 -0.09 0.00 -1.87 0.00 0.00 60.65 58.76 1sbm h LYS 264 Cb 0.20 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.43 1sbm h LYS 264 CO -0.21 0.61 0.00 0.00 -0.57 0.00 0.00 179.45 179.28 1sbm h ALA 265 N 0.86 0.92 -0.34 3.86 0.00 -1.02 -1.21 119.26 122.33 1sbm h ALA 265 Ca 0.09 -0.30 -0.09 0.00 0.00 0.00 0.00 54.91 54.61 1sbm h ALA 265 Cb 0.36 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1sbm h ALA 265 CO 0.01 0.64 -0.14 0.35 0.00 0.00 0.00 179.25 180.11 1sbm h PHE 266 N 0.90 0.80 -0.65 0.00 -0.00 -0.82 0.39 116.94 117.56 1sbm h PHE 266 Ca 0.17 -0.19 -0.05 0.00 -0.00 0.00 0.00 57.97 57.90 1sbm h PHE 266 Cb 0.53 -0.19 -0.03 0.00 -0.00 0.00 0.00 35.95 36.26 1sbm h PHE 266 CO 0.03 0.89 0.23 1.49 -0.00 0.00 0.00 178.31 180.95 1sbm h GLU 267 N 0.48 0.99 -0.45 1.11 4.81 -1.24 -1.27 114.58 119.00 1sbm h GLU 267 Ca 0.08 -0.20 0.01 0.00 -0.13 0.00 0.00 59.36 59.12 1sbm h GLU 267 Cb 0.67 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 29.87 1sbm h GLU 267 CO 0.04 0.85 0.29 -0.22 -0.73 0.00 0.00 179.01 179.25 1sbm h LYS 268 N 0.92 0.57 -0.46 1.92 3.64 -1.01 -0.70 116.57 121.46 1sbm h LYS 268 Ca 0.21 -0.03 0.03 0.00 -1.27 0.00 0.00 60.65 59.59 1sbm h LYS 268 Cb 0.26 -0.13 -0.04 0.00 -0.41 0.00 0.00 32.23 31.91 1sbm h LYS 268 CO -0.01 0.38 0.24 1.25 -2.27 0.00 0.00 179.45 179.03 1sbm h LEU 269 N 0.59 0.35 -0.35 5.20 5.85 -0.62 -0.16 115.31 126.17 1sbm h LEU 269 Ca 0.17 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.91 1sbm h LEU 269 Cb -0.04 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 40.94 1sbm h LEU 269 CO -0.05 0.25 0.00 0.18 -0.34 0.00 0.00 178.44 178.47 1sbm n LEU 270 N -4.89 0.48 -0.22 2.25 4.77 -0.50 -3.21 117.00 115.67 1sbm n LEU 270 Ca 0.03 0.60 0.05 0.00 -0.03 0.00 0.00 56.01 56.66 1sbm n LEU 270 Cb 0.11 -0.50 -0.01 0.00 -2.33 0.00 0.00 43.42 40.69 1sbm n LEU 270 CO 0.30 -0.37 0.19 -0.62 -1.33 0.00 0.00 177.39 175.57 1sbm n GLU 271 N -2.01 2.18 -1.64 3.23 1.02 -0.31 -4.72 120.64 118.40 1sbm n GLU 271 Ca 0.04 -0.57 -0.47 0.00 -0.02 0.00 0.00 57.16 56.14 1sbm n GLU 271 Cb 0.26 -1.10 -0.04 0.00 -0.02 0.00 0.00 31.44 30.55 1sbm n GLU 271 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1sbm n ASN 272 N -0.34 2.31 0.00 1.62 3.02 -0.15 -1.78 115.26 119.95 1sbm n ASN 272 Ca 0.04 1.13 0.00 0.00 -0.03 0.00 0.00 54.58 55.72 1sbm n ASN 272 Cb 0.22 -1.35 0.00 0.00 -0.61 0.00 0.00 39.78 38.04 1sbm n ASN 272 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1sbm n GLY 273 N 2.33 1.54 3.79 7.41 0.00 -1.26 -4.43 105.19 114.57 1sbm n GLY 273 Ca 0.14 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.80 1sbm n GLY 273 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1sbm s ILE 274 N -2.51 5.41 -0.31 -0.61 1.01 -0.73 -4.21 121.20 119.26 1sbm s ILE 274 Ca 0.00 0.28 -0.11 0.00 0.00 0.00 0.00 60.65 60.82 1sbm s ILE 274 Cb 0.00 -3.48 -0.02 0.00 0.01 0.00 0.00 42.46 38.97 1sbm s ILE 274 CO 0.00 0.51 0.19 -0.89 0.00 0.00 0.00 174.94 174.74 1sbm s THR 275 N -0.20 5.00 -0.28 2.92 2.01 0.33 -4.97 115.64 120.45 1sbm s THR 275 Ca 0.12 -0.17 -0.13 0.00 0.31 0.00 0.00 61.69 61.83 1sbm s THR 275 Cb -0.12 -3.49 -0.04 0.00 0.01 0.00 0.00 72.50 68.86 1sbm s THR 275 CO 0.02 0.11 0.27 -0.36 -0.69 0.00 0.00 174.62 173.97 1sbm s PHE 276 N 1.69 3.23 0.67 4.92 0.08 -1.26 -0.88 117.98 126.43 1sbm s PHE 276 Ca 0.06 0.22 -0.17 0.00 0.12 0.00 0.00 56.93 57.16 1sbm s PHE 276 Cb -0.17 -2.47 -0.02 0.00 -0.57 0.00 0.00 43.02 39.79 1sbm s PHE 276 CO 0.09 -0.20 0.92 -2.30 -0.10 0.00 0.00 175.22 173.63 1sbm n PRO 277 N 5.18 0.66 0.21 0.24 -0.02 -1.26 -4.86 135.00 135.14 1sbm n PRO 277 Ca -0.12 0.27 0.13 0.00 -2.02 0.00 0.00 63.50 61.77 1sbm n PRO 277 Cb 0.51 -2.16 0.73 0.00 -0.02 0.00 0.00 33.50 32.56 1sbm n PRO 277 CO 0.00 0.00 0.00 1.57 1.98 0.00 0.00 175.50 179.05 1sbm h LYS 278 N 0.06 0.00 -0.51 -0.52 2.10 -2.01 -1.15 116.57 114.54 1sbm h LYS 278 Ca -0.48 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.14 1sbm h LYS 278 Cb 1.35 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.66 1sbm h LYS 278 CO 0.48 0.00 0.03 -0.40 -2.00 0.00 0.00 179.45 177.57 1sbm n ASP 279 N -4.26 5.09 -4.79 7.07 3.85 -1.26 -4.98 116.55 117.27 1sbm n ASP 279 Ca 0.00 -3.02 -0.32 0.00 -0.71 0.00 0.00 54.79 50.75 1sbm n ASP 279 Cb 0.23 -0.66 0.05 0.00 -1.35 0.00 0.00 41.12 39.40 1sbm n ASP 279 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1sbm s ALA 280 N -2.83 2.52 0.77 2.12 0.00 -0.44 -4.98 121.76 118.92 1sbm s ALA 280 Ca 0.51 0.29 -0.14 0.00 0.00 0.00 0.00 51.96 52.63 1sbm s ALA 280 Cb 0.40 -3.24 0.06 0.00 0.00 0.00 0.00 23.12 20.34 1sbm s ALA 280 CO 0.13 -1.31 1.20 -2.14 0.00 0.00 0.00 175.76 173.64 1sbm s PRO 281 N -4.62 1.89 0.77 0.00 0.02 -1.26 -4.97 135.00 126.83 1sbm s PRO 281 Ca 0.62 1.72 -0.11 0.00 0.02 0.00 0.00 61.00 63.25 1sbm s PRO 281 Cb -0.17 -1.81 0.05 0.00 0.02 0.00 0.00 34.50 32.60 1sbm s PRO 281 CO 0.49 -2.02 1.08 -1.12 -0.33 0.00 0.00 177.00 175.11 1sbm s SER 282 N -2.18 4.60 0.47 2.53 0.01 -1.26 -4.95 113.70 112.92 1sbm s SER 282 Ca 0.73 1.69 -0.24 0.00 1.31 0.00 0.00 55.95 59.44 1sbm s SER 282 Cb -0.28 -2.44 -0.08 0.00 0.21 0.00 0.00 66.02 63.44 1sbm s SER 282 CO 0.48 -1.96 1.35 -2.65 0.41 0.00 0.00 173.24 170.88 1sbm n PRO 283 N -3.46 1.98 -3.39 12.44 -0.02 -1.26 -4.95 135.00 136.34 1sbm n PRO 283 Ca 0.08 0.71 -0.38 0.00 -2.02 0.00 0.00 63.50 61.89 1sbm n PRO 283 Cb 0.54 -2.53 -0.06 0.00 -0.02 0.00 0.00 33.50 31.42 1sbm n PRO 283 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 1sbm s PHE 284 N -1.23 3.76 -0.30 6.00 2.99 0.83 -4.79 117.98 125.24 1sbm s PHE 284 Ca 0.64 1.13 0.03 0.00 0.00 0.00 0.00 56.93 58.73 1sbm s PHE 284 Cb -0.46 -2.39 0.08 0.00 0.00 0.00 0.00 43.02 40.25 1sbm s PHE 284 CO 0.55 0.61 -0.02 0.42 -0.00 0.00 0.00 175.22 176.78 1sbm s ILE 285 N -1.11 2.35 0.32 0.64 1.01 -1.26 -0.84 121.20 122.31 1sbm s ILE 285 Ca 0.27 -1.90 -0.26 0.00 0.00 0.00 0.00 60.65 58.76 1sbm s ILE 285 Cb -0.18 -2.53 -0.10 0.00 0.01 0.00 0.00 42.46 39.67 1sbm s ILE 285 CO 0.16 -0.28 0.95 -0.36 0.00 0.00 0.00 174.94 175.41 1sbm s PHE 286 N 1.04 3.69 0.28 3.97 0.08 -1.26 -5.05 117.98 120.74 1sbm s PHE 286 Ca -0.00 1.79 -0.23 0.00 0.12 0.00 0.00 56.93 58.60 1sbm s PHE 286 Cb -0.20 -2.94 -0.09 0.00 -0.57 0.00 0.00 43.02 39.22 1sbm s PHE 286 CO -0.06 0.17 0.85 0.15 -0.10 0.00 0.00 175.22 176.23 1sbm s LYS 287 N -2.00 4.43 0.81 0.44 1.02 -1.26 -4.99 119.74 118.19 1sbm s LYS 287 Ca 0.50 1.12 -0.12 0.00 0.02 0.00 0.00 55.97 57.49 1sbm s LYS 287 Cb -0.20 -2.82 0.08 0.00 -0.52 0.00 0.00 37.83 34.37 1sbm s LYS 287 CO 0.25 0.32 1.12 0.95 -0.92 0.00 0.00 175.35 177.07 1sbm s THR 288 N -1.59 2.73 0.24 2.17 -4.23 -1.26 -4.89 115.64 108.82 1sbm s THR 288 Ca 0.47 0.24 -0.07 0.00 -1.18 0.00 0.00 61.69 61.16 1sbm s THR 288 Cb -0.17 -3.07 0.24 0.00 1.34 0.00 0.00 72.50 70.84 1sbm s THR 288 CO 0.22 -0.31 1.92 -0.07 -0.54 0.00 0.00 174.62 175.84 1sbm h LEU 289 N -1.10 1.10 -0.45 4.79 3.38 -1.97 -2.15 115.31 118.91 1sbm h LEU 289 Ca -0.47 -0.03 0.03 0.00 0.09 0.00 0.00 57.88 57.50 1sbm h LEU 289 Cb 1.29 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.73 1sbm h LEU 289 CO 0.62 0.80 0.25 -0.08 0.09 0.00 0.00 178.44 180.11 1sbm h GLU 290 N 1.30 0.48 0.00 1.13 4.81 -1.92 0.38 114.58 120.76 1sbm h GLU 290 Ca 0.36 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.53 1sbm h GLU 290 Cb -0.14 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 29.13 1sbm h GLU 290 CO -0.08 0.32 -0.14 0.93 -0.73 0.00 0.00 179.01 179.31 1sbm h GLU 291 N 0.50 0.00 -0.01 1.92 5.08 -1.77 -1.99 114.58 118.31 1sbm h GLU 291 Ca 0.19 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 1sbm h GLU 291 Cb 0.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.31 1sbm h GLU 291 CO -0.11 0.14 -0.27 1.04 -1.00 0.00 0.00 179.01 178.81 1sbm n GLN 292 N -3.86 0.96 -2.07 2.33 6.02 -0.67 -4.94 117.38 115.16 1sbm n GLN 292 Ca -0.02 -0.61 -0.09 0.00 -0.01 0.00 0.00 57.00 56.27 1sbm n GLN 292 Cb 0.24 -1.49 -0.01 0.00 1.02 0.00 0.00 30.24 30.00 1sbm n GLN 292 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1sbm n GLY 293 N 1.34 0.11 0.58 1.08 0.00 -0.41 -5.08 105.19 102.81 1sbm n GLY 293 Ca 0.12 -0.53 0.07 0.00 0.00 0.00 0.00 46.02 45.68 1sbm n GLY 293 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36