#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iml s TYR 5 N 0.00 -0.34 -0.12 -0.67 -0.85 -0.55 -5.01 117.35 109.81 3iml s TYR 5 Ca 0.00 0.11 -0.07 0.00 -0.52 0.00 0.00 57.07 56.59 3iml s TYR 5 Cb 0.00 0.36 -0.04 0.00 0.38 0.00 0.00 41.96 42.66 3iml s TYR 5 CO 0.00 -0.74 0.15 -0.51 -1.52 0.00 0.00 175.55 172.93 3iml s LEU 6 N -2.66 4.39 -0.03 -3.49 1.43 -1.26 -0.37 118.68 116.69 3iml s LEU 6 Ca 0.01 0.48 0.00 0.00 -1.03 0.00 0.00 54.13 53.59 3iml s LEU 6 Cb 0.01 -2.09 0.03 0.00 0.03 0.00 0.00 46.19 44.16 3iml s LEU 6 CO -0.11 0.40 0.01 0.12 0.23 0.00 0.00 176.35 177.00 3iml s PHE 7 N -0.98 0.32 -0.05 0.29 5.36 -0.26 -4.98 117.98 117.68 3iml s PHE 7 Ca 0.15 0.01 0.05 0.00 -0.96 0.00 0.00 56.93 56.18 3iml s PHE 7 Cb -0.12 -0.45 -0.02 0.00 -0.34 0.00 0.00 43.02 42.09 3iml s PHE 7 CO 0.04 -0.15 -0.21 0.99 -1.46 0.00 0.00 175.22 174.44 3iml s THR 8 N 1.19 2.48 0.38 0.12 2.01 -1.26 -1.06 115.64 119.49 3iml s THR 8 Ca -0.07 -0.92 0.04 0.00 0.31 0.00 0.00 61.69 61.04 3iml s THR 8 Cb -0.13 -1.93 -0.06 0.00 0.01 0.00 0.00 72.50 70.39 3iml s THR 8 CO -0.02 0.57 0.05 -0.44 -0.69 0.00 0.00 174.62 174.10 3iml s SER 9 N -0.40 2.98 0.16 3.53 0.01 -0.72 -4.90 113.70 114.36 3iml s SER 9 Ca 0.04 -1.45 -0.15 0.00 1.31 0.00 0.00 55.95 55.69 3iml s SER 9 Cb -0.12 0.00 0.02 0.00 0.21 0.00 0.00 66.02 66.14 3iml s SER 9 CO 0.02 -0.65 0.42 -1.83 0.41 0.00 0.00 173.24 171.61 3iml s GLU 10 N -3.82 1.19 0.21 12.44 -1.05 -1.26 -1.24 118.70 125.17 3iml s GLU 10 Ca 0.31 -0.84 -0.06 0.00 -0.15 0.00 0.00 54.97 54.23 3iml s GLU 10 Cb 0.07 0.47 -0.03 0.00 -0.44 0.00 0.00 34.13 34.21 3iml s GLU 10 CO 0.15 -0.48 0.25 0.45 0.95 0.00 0.00 175.26 176.58 3iml s SER 11 N -2.85 0.07 0.06 0.83 0.15 0.15 -4.70 113.70 107.41 3iml s SER 11 Ca 0.07 -1.17 0.02 0.00 0.70 0.00 0.00 55.95 55.57 3iml s SER 11 Cb 0.01 0.45 -0.03 0.00 -1.71 0.00 0.00 66.02 64.74 3iml s SER 11 CO -0.07 -0.93 -0.07 0.68 1.20 0.00 0.00 173.24 174.05 3iml s VAL 12 N -4.09 0.55 0.98 4.45 -7.23 -1.26 -1.24 120.40 112.56 3iml s VAL 12 Ca 0.30 -1.41 -0.15 0.00 -1.81 0.00 0.00 61.98 58.91 3iml s VAL 12 Cb 0.04 -1.02 0.18 0.00 0.56 0.00 0.00 36.38 36.15 3iml s VAL 12 CO 0.09 -0.60 1.21 -0.94 -0.31 0.00 0.00 175.10 174.55 3iml s SER 13 N -2.17 2.94 0.00 4.85 1.04 0.71 -4.59 113.70 116.49 3iml s SER 13 Ca -0.02 0.61 0.09 0.00 0.48 0.00 0.00 55.95 57.11 3iml s SER 13 Cb -0.04 -0.91 0.41 0.00 0.10 0.00 0.00 66.02 65.59 3iml s SER 13 CO -0.02 -2.87 1.25 -1.84 0.98 0.00 0.00 173.24 170.74 3iml n GLU 14 N -3.92 0.04 -0.18 4.02 0.28 -1.26 -2.21 120.64 117.42 3iml n GLU 14 Ca 0.11 0.30 0.12 0.00 -0.16 0.00 0.00 57.16 57.53 3iml n GLU 14 Cb 0.60 -1.50 0.21 0.00 1.43 0.00 0.00 31.44 32.18 3iml n GLU 14 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3iml n GLY 15 N -0.56 1.67 3.74 -1.84 0.00 -1.25 -4.18 105.19 102.77 3iml n GLY 15 Ca 0.03 -0.74 -0.41 0.00 0.00 0.00 0.00 46.02 44.90 3iml n GLY 15 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3iml s HIS 16 N -1.54 3.46 0.30 1.61 5.04 -0.94 -3.89 115.29 119.33 3iml s HIS 16 Ca 0.38 1.45 0.06 0.00 -1.54 0.00 0.00 55.06 55.41 3iml s HIS 16 Cb 0.23 -3.40 0.75 0.00 0.04 0.00 0.00 32.58 30.19 3iml s HIS 16 CO 0.32 -1.10 1.75 -1.35 -2.34 0.00 0.00 174.74 172.01 3iml h PRO 17 N 5.31 0.62 -0.68 2.88 0.11 -1.87 0.15 132.00 138.54 3iml h PRO 17 Ca -0.44 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 65.58 3iml h PRO 17 Cb 1.21 -0.14 -0.03 0.00 0.11 0.00 0.00 31.00 32.15 3iml h PRO 17 CO 0.75 0.41 0.22 -0.44 -0.21 0.00 0.00 178.00 178.73 3iml h ASP 18 N 0.64 0.95 1.40 -2.05 3.32 -1.83 -2.30 116.42 116.56 3iml h ASP 18 Ca 0.58 -0.16 -0.05 0.00 0.02 0.00 0.00 57.03 57.42 3iml h ASP 18 Cb 0.98 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 40.28 3iml h ASP 18 CO -0.43 0.88 -0.22 0.11 -1.72 0.00 0.00 179.24 177.87 3iml h LYS 19 N 0.99 0.00 -0.41 3.56 1.79 -1.06 -2.01 116.57 119.44 3iml h LYS 19 Ca 0.22 0.00 -0.06 0.00 -2.18 0.00 0.00 60.65 58.63 3iml h LYS 19 Cb 0.26 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.90 3iml h LYS 19 CO -0.01 0.22 0.02 0.28 -1.08 0.00 0.00 179.45 178.88 3iml h VAL 20 N 0.00 1.26 0.12 0.50 2.07 -0.78 -0.89 116.25 118.52 3iml h VAL 20 Ca -0.00 -0.97 0.01 0.00 0.82 0.00 0.00 66.70 66.55 3iml h VAL 20 Cb 0.98 1.08 -0.02 0.00 -1.52 0.00 0.00 31.29 31.82 3iml h VAL 20 CO 0.03 0.33 -0.14 0.00 0.02 0.00 0.00 177.57 177.81 3iml h ALA 21 N 0.90 -0.26 -0.86 1.67 0.00 -1.26 -0.88 119.26 118.57 3iml h ALA 21 Ca 0.12 -0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.04 3iml h ALA 21 Cb 0.45 0.20 -0.05 0.00 0.00 0.00 0.00 17.79 18.39 3iml h ALA 21 CO 0.02 -0.67 0.57 -0.44 0.00 0.00 0.00 179.25 178.72 3iml h ASP 22 N -0.30 0.90 0.17 0.00 3.32 -1.31 -1.29 116.42 117.91 3iml h ASP 22 Ca 0.01 -0.00 -0.20 0.00 0.02 0.00 0.00 57.03 56.85 3iml h ASP 22 Cb 0.29 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.64 3iml h ASP 22 CO -0.05 0.60 -0.79 1.56 -1.72 0.00 0.00 179.24 178.84 3iml h GLN 23 N 1.03 0.51 -0.31 3.56 4.20 -0.83 -1.00 115.11 122.27 3iml h GLN 23 Ca 0.35 -0.44 -0.03 0.00 0.06 0.00 0.00 58.65 58.59 3iml h GLN 23 Cb 0.10 0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.96 3iml h GLN 23 CO -0.12 1.07 0.06 0.82 -0.67 0.00 0.00 178.83 180.00 3iml h ILE 24 N 0.34 1.23 -0.42 2.54 2.04 -0.90 0.43 117.51 122.76 3iml h ILE 24 Ca -0.05 -0.77 0.06 0.00 1.00 0.00 0.00 64.86 65.10 3iml h ILE 24 Cb 1.39 1.14 -0.05 0.00 -0.74 0.00 0.00 36.82 38.56 3iml h ILE 24 CO 0.14 0.25 0.13 0.28 0.00 0.00 0.00 178.15 178.96 3iml h SER 25 N 0.33 0.11 0.99 1.72 0.02 -1.13 0.13 113.55 115.74 3iml h SER 25 Ca 0.09 0.05 -0.14 0.00 -0.84 0.00 0.00 61.79 60.96 3iml h SER 25 Cb 0.32 0.05 -0.02 0.00 0.14 0.00 0.00 62.40 62.89 3iml h SER 25 CO 0.00 0.10 -0.66 0.44 -1.14 0.00 0.00 176.83 175.57 3iml h ASP 26 N 0.28 0.00 -0.71 3.07 3.32 -1.05 -1.76 116.42 119.56 3iml h ASP 26 Ca 0.20 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.19 3iml h ASP 26 Cb 0.21 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.73 3iml h ASP 26 CO -0.22 0.66 0.20 0.00 -1.72 0.00 0.00 179.24 178.16 3iml h ALA 27 N 1.34 1.00 -0.28 3.45 0.00 0.43 -1.67 119.26 123.53 3iml h ALA 27 Ca -0.01 -0.24 -0.17 0.00 0.00 0.00 0.00 54.91 54.50 3iml h ALA 27 Cb 1.34 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.85 3iml h ALA 27 CO 0.09 0.66 -0.49 0.82 0.00 0.00 0.00 179.25 180.33 3iml h ILE 28 N 1.08 1.29 -0.32 0.00 2.04 -0.86 -2.45 117.51 118.27 3iml h ILE 28 Ca 0.23 -1.68 0.07 0.00 1.00 0.00 0.00 64.86 64.48 3iml h ILE 28 Cb 0.33 1.66 -0.07 0.00 -0.74 0.00 0.00 36.82 38.00 3iml h ILE 28 CO -0.00 0.54 -0.17 0.25 0.00 0.00 0.00 178.15 178.78 3iml h LEU 29 N 0.59 -0.56 -0.45 1.44 5.85 -1.21 -2.26 115.31 118.71 3iml h LEU 29 Ca 0.02 0.13 -0.03 0.00 0.84 0.00 0.00 57.88 58.84 3iml h LEU 29 Cb 1.10 0.30 -0.02 0.00 0.37 0.00 0.00 40.66 42.41 3iml h LEU 29 CO 0.11 -0.20 0.18 0.44 -0.34 0.00 0.00 178.44 178.63 3iml h ASP 30 N -0.12 0.62 -0.97 1.25 3.32 -1.22 0.05 116.42 119.35 3iml h ASP 30 Ca 0.17 -0.17 0.02 0.00 0.02 0.00 0.00 57.03 57.07 3iml h ASP 30 Cb 0.37 -0.16 -0.05 0.00 0.22 0.00 0.00 39.33 39.71 3iml h ASP 30 CO -0.40 0.61 0.64 0.00 -1.72 0.00 0.00 179.24 178.37 3iml h ALA 31 N 1.03 1.34 -0.26 3.45 0.00 -1.34 0.10 119.26 123.58 3iml h ALA 31 Ca 0.15 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 3iml h ALA 31 Cb 0.19 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3iml h ALA 31 CO -0.01 0.59 0.01 0.82 0.00 0.00 0.00 179.25 180.66 3iml h ILE 32 N 1.27 1.25 -0.13 0.00 2.04 -0.90 -3.10 117.51 117.94 3iml h ILE 32 Ca 0.37 -0.88 -0.08 0.00 1.00 0.00 0.00 64.86 65.26 3iml h ILE 32 Cb -0.08 1.33 -0.01 0.00 -0.74 0.00 0.00 36.82 37.31 3iml h ILE 32 CO -0.10 0.28 -0.29 -0.07 0.00 0.00 0.00 178.15 177.98 3iml h LEU 33 N 0.23 0.25 -1.61 1.44 3.38 -0.44 0.87 115.31 119.43 3iml h LEU 33 Ca 0.07 -0.08 0.09 0.00 0.09 0.00 0.00 57.88 58.05 3iml h LEU 33 Cb 0.40 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 41.05 3iml h LEU 33 CO 0.01 0.53 0.40 0.00 0.09 0.00 0.00 178.44 179.48 3iml h ALA 34 N 1.49 1.97 0.00 1.53 0.00 -0.74 -2.79 119.26 120.72 3iml h ALA 34 Ca 0.03 -0.01 -0.25 0.00 0.00 0.00 0.00 54.91 54.68 3iml h ALA 34 Cb 0.62 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.27 3iml h ALA 34 CO 0.05 -0.10 -2.16 1.04 0.00 0.00 0.00 179.25 178.08 3iml n GLN 35 N -4.47 0.91 -3.34 0.00 6.02 -0.89 -4.84 117.38 110.76 3iml n GLN 35 Ca 0.10 -0.05 -0.16 0.00 -0.01 0.00 0.00 57.00 56.87 3iml n GLN 35 Cb 0.34 -1.47 -0.07 0.00 1.02 0.00 0.00 30.24 30.06 3iml n GLN 35 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 3iml s ASP 36 N -4.99 1.02 0.36 1.08 2.15 0.25 -4.86 116.67 111.68 3iml s ASP 36 Ca -0.09 -1.63 0.27 0.00 0.43 0.00 0.00 52.55 51.53 3iml s ASP 36 Cb 0.07 0.60 1.18 0.00 -0.30 0.00 0.00 42.92 44.48 3iml s ASP 36 CO 0.77 -0.25 1.81 0.07 -0.17 0.00 0.00 175.17 177.40 3iml h LYS 37 N 6.94 0.00 -0.66 4.34 2.10 -1.70 -2.04 116.57 125.55 3iml h LYS 37 Ca 0.06 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.71 3iml h LYS 37 Cb 1.06 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.39 3iml h LYS 37 CO 0.19 0.00 0.00 0.66 -2.00 0.00 0.00 179.45 178.30 3iml n TYR 38 N -2.49 1.33 -1.92 0.07 4.01 -1.26 -4.87 117.16 112.03 3iml n TYR 38 Ca 0.01 -0.49 -0.34 0.00 -0.16 0.00 0.00 57.90 56.92 3iml n TYR 38 Cb 0.21 -0.30 0.04 0.00 -0.31 0.00 0.00 39.34 38.98 3iml n TYR 38 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 3iml s SER 39 N -0.67 5.19 -0.21 7.72 0.01 -0.77 -5.01 113.70 119.96 3iml s SER 39 Ca 0.39 2.18 -0.07 0.00 1.31 0.00 0.00 55.95 59.76 3iml s SER 39 Cb 0.27 -2.57 -0.03 0.00 0.21 0.00 0.00 66.02 63.90 3iml s SER 39 CO 0.15 -1.58 0.05 -0.13 0.41 0.00 0.00 173.24 172.13 3iml s ARG 40 N -3.68 3.76 -0.01 12.44 1.81 -0.27 -4.88 118.95 128.13 3iml s ARG 40 Ca 0.72 -0.44 0.01 0.00 -1.72 0.00 0.00 55.73 54.29 3iml s ARG 40 Cb -0.25 -3.21 0.01 0.00 -0.45 0.00 0.00 34.95 31.05 3iml s ARG 40 CO 0.36 0.04 -0.02 0.08 -0.68 0.00 0.00 175.30 175.08 3iml s VAL 41 N 0.97 0.22 -0.40 3.52 1.01 -1.26 -0.42 120.40 124.04 3iml s VAL 41 Ca 0.03 -0.07 0.08 0.00 0.00 0.00 0.00 61.98 62.02 3iml s VAL 41 Cb -0.14 -0.22 0.27 0.00 0.00 0.00 0.00 36.38 36.29 3iml s VAL 41 CO 0.03 0.09 0.65 0.00 0.00 0.00 0.00 175.10 175.86 3iml n ALA 42 N 3.29 1.61 -2.55 5.51 0.00 0.12 -2.32 120.51 126.17 3iml n ALA 42 Ca -0.16 -3.01 -0.42 0.00 0.00 0.00 0.00 53.44 49.85 3iml n ALA 42 Cb 0.57 -0.93 -0.07 0.00 0.00 0.00 0.00 19.45 19.02 3iml n ALA 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3iml s ALA 43 N -1.07 3.44 -0.06 0.00 0.00 0.92 -2.64 121.76 122.34 3iml s ALA 43 Ca 0.35 -1.02 -0.04 0.00 0.00 0.00 0.00 51.96 51.24 3iml s ALA 43 Cb 0.22 -3.13 -0.04 0.00 0.00 0.00 0.00 23.12 20.17 3iml s ALA 43 CO -0.12 -1.40 0.15 -1.21 0.00 0.00 0.00 175.76 173.18 3iml s GLU 44 N 2.58 3.39 -0.03 0.00 0.41 0.16 -4.21 118.70 121.00 3iml s GLU 44 Ca 0.21 -0.26 0.02 0.00 -0.41 0.00 0.00 54.97 54.53 3iml s GLU 44 Cb -0.15 -3.10 0.01 0.00 -1.78 0.00 0.00 34.13 29.11 3iml s GLU 44 CO 0.15 0.72 -0.08 0.99 -0.49 0.00 0.00 175.26 176.54 3iml s THR 45 N -1.18 0.75 -0.07 3.63 2.01 -1.26 -1.55 115.64 117.97 3iml s THR 45 Ca 0.21 -0.32 0.03 0.00 0.31 0.00 0.00 61.69 61.92 3iml s THR 45 Cb -0.12 -0.69 0.01 0.00 0.01 0.00 0.00 72.50 71.71 3iml s THR 45 CO 0.12 0.25 -0.15 -0.22 -0.69 0.00 0.00 174.62 173.92 3iml s LEU 46 N 0.36 1.77 -0.03 4.42 0.20 -0.24 -1.59 118.68 123.58 3iml s LEU 46 Ca -0.06 -0.37 0.01 0.00 0.69 0.00 0.00 54.13 54.40 3iml s LEU 46 Cb -0.10 -0.98 0.02 0.00 -0.43 0.00 0.00 46.19 44.70 3iml s LEU 46 CO 0.01 0.07 -0.01 0.00 -0.29 0.00 0.00 176.35 176.13 3iml n ASN 48 N 3.99 0.51 -0.08 0.00 6.94 -0.11 -0.37 115.26 126.15 3iml n ASN 48 Ca -0.25 -0.14 -0.07 0.00 -0.02 0.00 0.00 54.58 54.10 3iml n ASN 48 Cb 0.51 0.00 -0.05 0.00 -2.36 0.00 0.00 39.78 37.88 3iml n ASN 48 CO 0.00 0.00 0.00 0.74 -1.03 0.00 0.00 177.26 176.97 3iml h THR 49 N 0.14 0.00 -0.39 5.53 2.02 -1.69 -2.94 112.91 115.58 3iml h THR 49 Ca 0.00 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.15 3iml h THR 49 Cb 0.00 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 66.39 3iml h THR 49 CO 0.00 0.00 0.02 0.61 0.37 0.00 0.00 175.52 176.52 3iml n GLY 50 N -1.18 3.78 3.25 2.16 0.00 -1.26 -4.70 105.19 107.23 3iml n GLY 50 Ca -0.02 -1.02 -0.12 0.00 0.00 0.00 0.00 46.02 44.87 3iml n GLY 50 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3iml s LEU 51 N -2.85 0.20 -0.06 0.99 2.96 -1.11 -1.24 118.68 117.57 3iml s LEU 51 Ca 0.47 0.81 0.06 0.00 -0.22 0.00 0.00 54.13 55.24 3iml s LEU 51 Cb 0.37 1.27 -0.01 0.00 0.50 0.00 0.00 46.19 48.33 3iml s LEU 51 CO 0.11 -0.17 -0.25 -0.69 -1.32 0.00 0.00 176.35 174.03 3iml s VAL 52 N 0.92 2.04 -0.15 1.68 1.01 -0.48 -0.93 120.40 124.49 3iml s VAL 52 Ca -0.06 -1.05 -0.00 0.00 0.00 0.00 0.00 61.98 60.87 3iml s VAL 52 Cb -0.06 -1.73 -0.01 0.00 0.00 0.00 0.00 36.38 34.58 3iml s VAL 52 CO -0.07 0.56 -0.13 -0.69 0.00 0.00 0.00 175.10 174.77 3iml s VAL 53 N -0.09 2.92 -0.19 2.92 1.01 0.14 -0.27 120.40 126.85 3iml s VAL 53 Ca -0.06 -0.69 -0.03 0.00 0.00 0.00 0.00 61.98 61.20 3iml s VAL 53 Cb -0.14 -2.24 -0.01 0.00 0.00 0.00 0.00 36.38 33.98 3iml s VAL 53 CO 0.04 0.51 -0.07 -0.76 0.00 0.00 0.00 175.10 174.83 3iml s LEU 54 N 0.64 2.89 0.00 3.92 1.43 0.10 -1.07 118.68 126.59 3iml s LEU 54 Ca -0.07 -0.34 0.00 0.00 -1.03 0.00 0.00 54.13 52.69 3iml s LEU 54 Cb -0.16 -1.71 0.00 0.00 0.03 0.00 0.00 46.19 44.36 3iml s LEU 54 CO 0.03 0.06 0.41 0.00 0.23 0.00 0.00 176.35 177.07 3iml n ALA 55 N 4.25 -0.11 0.00 4.21 0.00 -0.59 -0.19 120.51 128.08 3iml n ALA 55 Ca -0.18 -1.54 0.00 0.00 0.00 0.00 0.00 53.44 51.72 3iml n ALA 55 Cb 0.52 1.24 0.00 0.00 0.00 0.00 0.00 19.45 21.21 3iml n ALA 55 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3iml n GLY 56 N -0.54 -0.28 3.41 0.00 0.00 -1.26 -0.67 105.19 105.85 3iml n GLY 56 Ca 0.02 -2.21 -0.33 0.00 0.00 0.00 0.00 46.02 43.50 3iml n GLY 56 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3iml s GLU 57 N 0.00 3.30 -0.04 1.61 8.01 -1.08 -0.84 118.70 129.65 3iml s GLU 57 Ca 0.00 -0.66 -0.01 0.00 0.01 0.00 0.00 54.97 54.31 3iml s GLU 57 Cb 0.00 -2.64 0.03 0.00 -4.31 0.00 0.00 34.13 27.21 3iml s GLU 57 CO 0.00 0.28 0.03 0.42 0.01 0.00 0.00 175.26 176.01 3iml s ILE 58 N 0.18 0.03 -0.27 -1.63 1.01 -0.48 -0.70 121.20 119.34 3iml s ILE 58 Ca -0.07 0.28 0.00 0.00 0.00 0.00 0.00 60.65 60.87 3iml s ILE 58 Cb -0.15 -0.23 0.05 0.00 0.01 0.00 0.00 42.46 42.14 3iml s ILE 58 CO 0.05 0.17 -0.07 -0.89 0.00 0.00 0.00 174.94 174.20 3iml s THR 59 N 1.76 2.57 0.16 2.92 2.01 0.45 -1.57 115.64 123.94 3iml s THR 59 Ca 0.00 -1.39 -0.22 0.00 0.31 0.00 0.00 61.69 60.39 3iml s THR 59 Cb -0.12 -2.43 0.06 0.00 0.01 0.00 0.00 72.50 70.01 3iml s THR 59 CO -0.03 0.02 0.59 0.28 -0.69 0.00 0.00 174.62 174.79 3iml s THR 60 N 1.21 0.01 -2.88 -0.82 -1.32 -1.22 -1.11 115.64 109.50 3iml s THR 60 Ca -0.05 -0.11 0.24 0.00 -1.21 0.00 0.00 61.69 60.56 3iml s THR 60 Cb -0.19 -1.07 0.24 0.00 -1.51 0.00 0.00 72.50 69.97 3iml s THR 60 CO -0.04 -0.03 1.29 0.35 -2.21 0.00 0.00 174.62 173.98 3iml n THR 61 N -0.37 0.11 -2.93 5.08 -2.24 -1.26 -4.50 114.28 108.16 3iml n THR 61 Ca -0.16 -0.55 -0.35 0.00 -2.27 0.00 0.00 64.05 60.72 3iml n THR 61 Cb 0.65 1.39 -0.06 0.00 -2.10 0.00 0.00 70.33 70.20 3iml n THR 61 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3iml s ALA 62 N -1.89 3.23 -0.29 6.98 0.00 -1.26 -5.02 121.76 123.51 3iml s ALA 62 Ca 0.30 0.32 -0.03 0.00 0.00 0.00 0.00 51.96 52.55 3iml s ALA 62 Cb 0.21 -3.01 0.04 0.00 0.00 0.00 0.00 23.12 20.35 3iml s ALA 62 CO 0.30 0.23 0.00 -0.80 0.00 0.00 0.00 175.76 175.49 3iml s ASN 63 N -1.90 4.79 -0.04 0.00 0.01 -1.26 -5.09 114.94 111.45 3iml s ASN 63 Ca 0.52 -1.09 0.05 0.00 -0.71 0.00 0.00 52.86 51.64 3iml s ASN 63 Cb -0.14 -1.73 -0.01 0.00 0.41 0.00 0.00 41.25 39.78 3iml s ASN 63 CO 0.19 -0.22 -0.20 -0.63 -1.51 0.00 0.00 177.10 174.73 3iml s ILE 64 N 1.31 1.62 -0.83 0.60 -1.09 -1.26 -5.07 121.20 116.48 3iml s ILE 64 Ca -0.03 -0.83 -0.20 0.00 -2.23 0.00 0.00 60.65 57.37 3iml s ILE 64 Cb -0.19 -1.38 0.12 0.00 -1.58 0.00 0.00 42.46 39.43 3iml s ILE 64 CO -0.01 0.46 1.04 -0.62 -1.23 0.00 0.00 174.94 174.58 3iml s ASP 65 N -0.09 6.48 0.17 3.58 -1.08 -1.26 -4.91 116.67 119.56 3iml s ASP 65 Ca -0.02 -1.74 -0.13 0.00 -0.52 0.00 0.00 52.55 50.14 3iml s ASP 65 Cb -0.12 -2.39 0.07 0.00 -1.46 0.00 0.00 42.92 39.02 3iml s ASP 65 CO 0.02 -1.15 1.78 1.88 0.52 0.00 0.00 175.17 178.22 3iml h TYR 66 N 9.02 0.78 -0.49 -5.34 0.05 -1.99 -2.21 116.97 116.79 3iml h TYR 66 Ca 0.00 -0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.76 3iml h TYR 66 Cb 1.04 -0.25 -0.02 0.00 1.01 0.00 0.00 36.73 38.51 3iml h TYR 66 CO 1.08 0.57 0.31 0.82 -1.05 0.00 0.00 178.16 179.89 3iml h ILE 67 N 0.76 1.14 -0.60 -2.88 2.04 -1.99 0.58 117.51 116.57 3iml h ILE 67 Ca 0.20 -0.30 -0.05 0.00 1.00 0.00 0.00 64.86 65.71 3iml h ILE 67 Cb 0.05 0.46 -0.03 0.00 -0.74 0.00 0.00 36.82 36.56 3iml h ILE 67 CO -0.03 0.14 0.18 -0.61 0.00 0.00 0.00 178.15 177.83 3iml h GLN 68 N 0.66 0.91 -0.19 2.37 5.75 -1.89 -0.60 115.11 122.14 3iml h GLN 68 Ca 0.18 -0.18 -0.14 0.00 -0.15 0.00 0.00 58.65 58.35 3iml h GLN 68 Cb -0.04 -0.14 0.00 0.00 1.07 0.00 0.00 27.48 28.38 3iml h GLN 68 CO -0.04 0.79 -0.45 0.82 -2.65 0.00 0.00 178.83 177.31 3iml h ILE 69 N 0.88 1.33 -0.41 2.39 2.04 -0.84 0.51 117.51 123.42 3iml h ILE 69 Ca 0.20 -1.69 0.08 0.00 1.00 0.00 0.00 64.86 64.45 3iml h ILE 69 Cb 0.27 1.91 -0.08 0.00 -0.74 0.00 0.00 36.82 38.18 3iml h ILE 69 CO -0.01 0.52 -0.16 0.00 0.00 0.00 0.00 178.15 178.51 3iml h ALA 70 N 0.58 0.17 -0.14 1.87 0.00 -0.72 -2.23 119.26 118.78 3iml h ALA 70 Ca -0.00 0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 3iml h ALA 70 Cb 1.06 0.41 -0.01 0.00 0.00 0.00 0.00 17.79 19.25 3iml h ALA 70 CO 0.10 -0.52 0.04 0.00 0.00 0.00 0.00 179.25 178.88 3iml h ARG 71 N -0.08 0.23 -0.93 0.00 3.08 -0.81 -1.74 114.38 114.14 3iml h ARG 71 Ca 0.20 -0.05 0.22 0.00 0.07 0.00 0.00 59.98 60.42 3iml h ARG 71 Cb 0.38 -0.03 -0.07 0.00 0.08 0.00 0.00 29.97 30.33 3iml h ARG 71 CO -0.46 0.36 0.62 -0.44 -1.07 0.00 0.00 179.97 178.98 3iml h ASP 72 N 0.05 0.36 0.12 7.04 3.32 -0.85 0.30 116.42 126.76 3iml h ASP 72 Ca 0.05 0.04 -0.25 0.00 0.02 0.00 0.00 57.03 56.89 3iml h ASP 72 Cb 0.23 -0.02 0.03 0.00 0.22 0.00 0.00 39.33 39.78 3iml h ASP 72 CO -0.00 0.13 -1.06 0.74 -1.72 0.00 0.00 179.24 177.33 3iml h THR 73 N 0.35 1.37 -0.90 0.35 2.02 -0.82 -1.84 112.91 113.43 3iml h THR 73 Ca 0.49 -2.44 -0.01 0.00 0.77 0.00 0.00 66.41 65.22 3iml h THR 73 Cb 1.31 2.85 -0.04 0.00 -1.74 0.00 0.00 68.15 70.53 3iml h THR 73 CO -0.17 0.72 0.54 0.40 0.37 0.00 0.00 175.52 177.38 3iml h ILE 74 N 0.03 1.25 0.19 3.11 2.04 -0.83 -2.38 117.51 120.92 3iml h ILE 74 Ca -0.17 -0.55 -0.01 0.00 1.00 0.00 0.00 64.86 65.14 3iml h ILE 74 Cb 1.78 -0.02 0.00 0.00 -0.74 0.00 0.00 36.82 37.84 3iml h ILE 74 CO 0.20 0.26 -0.09 0.50 0.00 0.00 0.00 178.15 179.02 3iml h LYS 75 N 1.25 -0.24 -0.97 2.37 3.64 -0.93 -2.37 116.57 119.32 3iml h LYS 75 Ca 0.32 0.02 0.12 0.00 -1.27 0.00 0.00 60.65 59.84 3iml h LYS 75 Cb -0.05 0.06 -0.08 0.00 -0.41 0.00 0.00 32.23 31.74 3iml h LYS 75 CO -0.06 0.04 0.59 -0.09 -2.27 0.00 0.00 179.45 177.67 3iml h ARG 76 N -0.52 0.90 0.00 1.90 2.43 -1.25 -0.56 114.38 117.28 3iml h ARG 76 Ca -0.03 -0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 59.06 3iml h ARG 76 Cb 0.40 -0.20 -0.00 0.00 -0.42 0.00 0.00 29.97 29.74 3iml h ARG 76 CO 0.04 0.60 -0.12 0.82 -1.51 0.00 0.00 179.97 179.80 3iml h ILE 77 N 0.93 1.00 0.00 1.20 2.04 -1.41 -3.47 117.51 117.80 3iml h ILE 77 Ca 0.48 -0.44 0.00 0.00 1.00 0.00 0.00 64.86 65.90 3iml h ILE 77 Cb 0.50 1.24 0.00 0.00 -0.74 0.00 0.00 36.82 37.82 3iml h ILE 77 CO -0.27 0.12 0.00 0.61 0.00 0.00 0.00 178.15 178.61 3iml n GLY 78 N -1.11 0.89 0.00 5.37 0.00 -0.22 -4.77 105.19 105.35 3iml n GLY 78 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 3iml n GLY 78 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3iml n TYR 79 N 0.00 0.00 0.00 1.61 4.01 -0.91 -4.89 117.16 116.98 3iml n TYR 79 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 3iml n TYR 79 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.03 3iml n TYR 79 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3iml n GLY 90 N 5.00 1.44 3.75 2.72 0.00 -1.26 -4.80 105.19 112.04 3iml n GLY 90 Ca 0.00 -0.73 -0.38 0.00 0.00 0.00 0.00 46.02 44.91 3iml n GLY 90 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iml s ALA 92 N -1.36 3.58 -0.12 0.00 0.00 -0.37 -4.91 121.76 118.58 3iml s ALA 92 Ca 0.72 1.34 0.02 0.00 0.00 0.00 0.00 51.96 54.05 3iml s ALA 92 Cb -0.38 -3.54 0.01 0.00 0.00 0.00 0.00 23.12 19.21 3iml s ALA 92 CO 0.44 -0.76 -0.18 0.08 0.00 0.00 0.00 175.76 175.35 3iml s VAL 93 N -0.53 1.70 -0.31 0.00 1.01 -1.26 -1.38 120.40 119.63 3iml s VAL 93 Ca 0.55 -0.77 -0.06 0.00 0.00 0.00 0.00 61.98 61.70 3iml s VAL 93 Cb -0.42 -1.53 0.02 0.00 0.00 0.00 0.00 36.38 34.45 3iml s VAL 93 CO 0.49 0.48 0.08 -0.22 0.00 0.00 0.00 175.10 175.93 3iml s LEU 94 N 0.90 3.96 -0.31 3.92 2.96 0.63 -4.99 118.68 125.74 3iml s LEU 94 Ca -0.07 -0.85 -0.07 0.00 -0.22 0.00 0.00 54.13 52.92 3iml s LEU 94 Cb -0.15 -1.87 0.02 0.00 0.50 0.00 0.00 46.19 44.69 3iml s LEU 94 CO -0.01 -0.23 0.11 -0.69 -1.32 0.00 0.00 176.35 174.21 3iml s VAL 95 N 1.46 4.06 -0.21 1.68 1.01 -1.26 0.00 120.40 127.15 3iml s VAL 95 Ca 0.01 -0.77 0.18 0.00 0.00 0.00 0.00 61.98 61.40 3iml s VAL 95 Cb -0.18 -3.15 0.47 0.00 0.00 0.00 0.00 36.38 33.52 3iml s VAL 95 CO 0.02 -0.01 1.16 0.00 0.00 0.00 0.00 175.10 176.27 3iml n ALA 96 N 4.88 3.28 -1.76 5.51 0.00 0.74 -4.99 120.51 128.16 3iml n ALA 96 Ca -0.14 -3.00 -0.38 0.00 0.00 0.00 0.00 53.44 49.93 3iml n ALA 96 Cb 0.47 -0.64 0.00 0.00 0.00 0.00 0.00 19.45 19.28 3iml n ALA 96 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 3iml s TYR 97 N -2.88 2.72 -0.60 0.00 2.02 -1.24 -4.17 117.35 113.19 3iml s TYR 97 Ca 0.36 1.48 -0.20 0.00 -0.37 0.00 0.00 57.07 58.34 3iml s TYR 97 Cb 0.36 -3.52 0.09 0.00 -0.40 0.00 0.00 41.96 38.49 3iml s TYR 97 CO -0.05 -1.93 0.78 0.34 -1.57 0.00 0.00 175.55 173.12 3iml s ASP 98 N -1.19 6.19 0.74 2.29 3.68 -0.02 -4.94 116.67 123.42 3iml s ASP 98 Ca 0.65 -1.19 -0.02 0.00 2.13 0.00 0.00 52.55 54.11 3iml s ASP 98 Cb -0.33 -2.34 0.13 0.00 -1.45 0.00 0.00 42.92 38.93 3iml s ASP 98 CO 0.40 -1.20 1.02 -0.54 0.13 0.00 0.00 175.17 174.98 3iml s LYS 99 N 3.16 1.64 0.08 4.34 1.02 -1.26 -1.38 119.74 127.33 3iml s LYS 99 Ca 0.16 -0.99 -0.16 0.00 0.02 0.00 0.00 55.97 55.00 3iml s LYS 99 Cb -0.21 -2.28 0.05 0.00 -0.52 0.00 0.00 37.83 34.87 3iml s LYS 99 CO 0.09 -1.50 0.75 1.04 -0.92 0.00 0.00 175.35 174.80 3iml n GLN 100 N -2.91 0.34 -3.40 1.68 6.02 -0.61 -4.87 117.38 113.63 3iml n GLN 100 Ca 0.14 -0.84 -0.14 0.00 -0.01 0.00 0.00 57.00 56.15 3iml n GLN 100 Cb 0.60 1.19 -0.10 0.00 1.02 0.00 0.00 30.24 32.96 3iml n GLN 100 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 3iml s SER 101 N -2.73 1.04 0.00 1.08 0.01 -1.26 -3.45 113.70 108.40 3iml s SER 101 Ca 0.17 -0.29 0.00 0.00 1.31 0.00 0.00 55.95 57.14 3iml s SER 101 Cb -0.01 0.72 0.00 0.00 0.21 0.00 0.00 66.02 66.93 3iml s SER 101 CO 0.02 -0.34 0.00 -0.11 0.41 0.00 0.00 173.24 173.22 3iml n LEU 116 N 5.33 0.00 -2.05 2.44 -0.00 -1.26 -4.75 117.00 116.72 3iml n LEU 116 Ca -0.03 0.00 -0.21 0.00 -0.00 0.00 0.00 56.01 55.77 3iml n LEU 116 Cb 0.49 0.00 0.18 0.00 -0.00 0.00 0.00 43.42 44.08 3iml n LEU 116 CO 0.04 0.00 1.19 0.47 -0.00 0.00 0.00 177.39 179.08 3iml n ASP 117 N 0.00 3.69 -4.76 1.96 8.00 -1.26 -4.45 116.55 119.73 3iml n ASP 117 Ca 0.00 -3.65 -0.41 0.00 0.71 0.00 0.00 54.79 51.44 3iml n ASP 117 Cb 0.00 -0.81 -0.02 0.00 -0.02 0.00 0.00 41.12 40.28 3iml n ASP 117 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 3iml s GLN 118 N -3.32 4.22 0.90 -1.24 1.11 -1.26 -4.49 119.66 115.58 3iml s GLN 118 Ca 0.55 2.40 -0.11 0.00 0.01 0.00 0.00 55.36 58.21 3iml s GLN 118 Cb 0.47 -3.06 0.13 0.00 -1.01 0.00 0.00 33.01 29.54 3iml s GLN 118 CO 0.08 -0.45 1.09 0.20 0.01 0.00 0.00 175.29 176.23 3iml s GLY 119 N 0.15 1.63 0.42 3.09 0.00 -1.26 -4.42 107.32 106.93 3iml s GLY 119 Ca 0.57 0.07 -0.26 0.00 0.00 0.00 0.00 44.72 45.11 3iml s GLY 119 CO 0.50 0.55 1.35 0.00 0.00 0.00 0.00 173.10 175.50 3iml s ALA 120 N -2.85 3.27 -1.06 3.20 0.00 -0.94 -4.70 121.76 118.69 3iml s ALA 120 Ca 0.64 1.33 0.24 0.00 0.00 0.00 0.00 51.96 54.17 3iml s ALA 120 Cb -0.19 -3.53 1.06 0.00 0.00 0.00 0.00 23.12 20.46 3iml s ALA 120 CO 0.58 -0.96 1.78 0.41 0.00 0.00 0.00 175.76 177.57 3iml n GLY 121 N 0.63 -1.30 3.51 0.00 0.00 -1.26 -1.05 105.19 105.72 3iml n GLY 121 Ca 0.04 -0.09 -0.10 0.00 0.00 0.00 0.00 46.02 45.87 3iml n GLY 121 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3iml s ASP 122 N -2.94 -0.41 0.94 1.61 2.15 -1.26 -4.92 116.67 111.84 3iml s ASP 122 Ca 0.13 0.16 -0.12 0.00 0.43 0.00 0.00 52.55 53.15 3iml s ASP 122 Cb 0.16 0.40 0.16 0.00 -0.30 0.00 0.00 42.92 43.34 3iml s ASP 122 CO 0.43 -0.59 1.11 0.00 -0.17 0.00 0.00 175.17 175.95 3iml s GLN 123 N -2.53 0.87 0.00 4.34 -2.07 -1.26 -4.05 119.66 114.96 3iml s GLN 123 Ca 0.01 0.44 0.00 0.00 -1.82 0.00 0.00 55.36 54.00 3iml s GLN 123 Cb -0.01 -1.79 0.00 0.00 -1.09 0.00 0.00 33.01 30.12 3iml s GLN 123 CO -0.05 -2.42 0.00 0.41 -1.32 0.00 0.00 175.29 171.91 3iml n GLY 124 N -1.62 3.09 3.20 2.60 0.00 -1.08 -4.93 105.19 106.43 3iml n GLY 124 Ca 0.06 -1.03 -0.25 0.00 0.00 0.00 0.00 46.02 44.81 3iml n GLY 124 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 3iml s LEU 125 N 0.00 2.10 -0.14 0.99 2.34 -1.26 -1.03 118.68 121.67 3iml s LEU 125 Ca 0.00 -0.41 -0.16 0.00 0.06 0.00 0.00 54.13 53.62 3iml s LEU 125 Cb 0.00 -0.90 0.04 0.00 -0.56 0.00 0.00 46.19 44.78 3iml s LEU 125 CO 0.00 0.17 0.44 0.00 -1.06 0.00 0.00 176.35 175.90 3iml s MET 126 N -0.78 0.57 0.01 1.48 0.23 -0.77 -4.06 119.30 115.98 3iml s MET 126 Ca 0.06 0.50 0.04 0.00 -1.03 0.00 0.00 55.69 55.27 3iml s MET 126 Cb -0.08 0.27 -0.03 0.00 -1.53 0.00 0.00 34.83 33.46 3iml s MET 126 CO 0.00 -0.09 -0.10 -0.06 -2.03 0.00 0.00 175.02 172.74 3iml s PHE 127 N -0.03 2.78 0.05 3.16 0.08 -1.26 -2.14 117.98 120.62 3iml s PHE 127 Ca -0.02 -0.11 0.08 0.00 0.12 0.00 0.00 56.93 57.00 3iml s PHE 127 Cb -0.03 -1.58 -0.03 0.00 -0.57 0.00 0.00 43.02 40.82 3iml s PHE 127 CO 0.02 0.32 -0.22 0.20 -0.10 0.00 0.00 175.22 175.43 3iml s GLY 128 N -1.34 1.21 -0.01 4.36 0.00 0.87 -4.71 107.32 107.69 3iml s GLY 128 Ca 0.16 -1.13 -0.18 0.00 0.00 0.00 0.00 44.72 43.57 3iml s GLY 128 CO 0.06 -1.04 0.38 -0.47 0.00 0.00 0.00 173.10 172.03 3iml s TYR 129 N -0.81 -0.27 0.01 1.90 5.04 -1.26 -0.03 117.35 121.94 3iml s TYR 129 Ca 0.09 0.40 -0.28 0.00 -2.44 0.00 0.00 57.07 54.84 3iml s TYR 129 Cb -0.09 0.16 0.08 0.00 0.35 0.00 0.00 41.96 42.46 3iml s TYR 129 CO 0.02 -0.44 0.71 0.00 -1.34 0.00 0.00 175.55 174.50 3iml s ALA 130 N -1.41 -1.74 0.25 3.97 0.00 -0.50 -4.56 121.76 117.77 3iml s ALA 130 Ca -0.12 1.06 -0.22 0.00 0.00 0.00 0.00 51.96 52.68 3iml s ALA 130 Cb -0.04 0.24 0.03 0.00 0.00 0.00 0.00 23.12 23.35 3iml s ALA 130 CO 0.05 -0.52 0.76 0.00 0.00 0.00 0.00 175.76 176.05 3iml n ASP 132 N -0.45 0.87 0.22 0.00 5.75 -1.13 -3.67 116.55 118.14 3iml n ASP 132 Ca -0.05 -1.69 0.15 0.00 -0.01 0.00 0.00 54.79 53.19 3iml n ASP 132 Cb 0.60 -0.07 0.64 0.00 -1.03 0.00 0.00 41.12 41.25 3iml n ASP 132 CO 0.00 0.00 0.00 -0.33 -0.11 0.00 0.00 177.20 176.76 3iml h GLU 133 N 1.09 0.00 -4.23 0.11 5.08 -1.91 -3.44 114.58 111.29 3iml h GLU 133 Ca 0.00 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.23 3iml h GLU 133 Cb 0.24 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 29.34 3iml h GLU 133 CO 0.00 0.00 -0.63 0.95 -1.00 0.00 0.00 179.01 178.33 3iml s THR 134 N -3.55 0.18 0.32 1.13 -4.23 -1.21 -4.68 115.64 103.59 3iml s THR 134 Ca 0.02 -1.76 0.19 0.00 -1.18 0.00 0.00 61.69 58.96 3iml s THR 134 Cb 0.09 -1.65 0.17 0.00 1.34 0.00 0.00 72.50 72.44 3iml s THR 134 CO 0.46 -0.80 1.87 1.55 -0.54 0.00 0.00 174.62 177.17 3iml h PRO 135 N 3.01 0.00 0.00 3.99 0.13 -1.91 0.19 132.00 137.41 3iml h PRO 135 Ca -0.34 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 3iml h PRO 135 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 3iml h PRO 135 CO 0.63 0.29 0.00 0.39 -0.23 0.00 0.00 178.00 179.08 3iml n GLU 136 N -3.79 0.63 -3.02 0.86 4.71 -1.26 -4.92 120.64 113.84 3iml n GLU 136 Ca -0.01 0.01 -0.13 0.00 -0.01 0.00 0.00 57.16 57.02 3iml n GLU 136 Cb 0.38 -1.50 0.04 0.00 -1.01 0.00 0.00 31.44 29.35 3iml n GLU 136 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 3iml n LEU 137 N -1.16 -2.66 -4.55 -4.62 4.77 0.05 -4.81 117.00 104.03 3iml n LEU 137 Ca 0.17 -0.27 -0.29 0.00 -0.03 0.00 0.00 56.01 55.59 3iml n LEU 137 Cb 0.17 -1.85 -0.10 0.00 -2.33 0.00 0.00 43.42 39.31 3iml n LEU 137 CO 0.19 0.32 -0.44 -0.04 -1.33 0.00 0.00 177.39 176.09 3iml s MET 138 N -5.62 2.00 0.43 3.23 -1.94 -1.24 -2.69 119.30 113.46 3iml s MET 138 Ca 0.29 -1.13 -0.24 0.00 -1.71 0.00 0.00 55.69 52.90 3iml s MET 138 Cb -0.13 -2.21 -0.10 0.00 2.01 0.00 0.00 34.83 34.40 3iml s MET 138 CO 0.36 0.48 1.13 -0.35 -0.01 0.00 0.00 175.02 176.64 3iml n PRO 139 N 0.59 1.59 0.04 2.03 -0.04 -1.26 -3.31 135.00 134.64 3iml n PRO 139 Ca -0.14 0.57 -0.12 0.00 -0.04 0.00 0.00 63.50 63.77 3iml n PRO 139 Cb 0.53 -2.21 -0.08 0.00 -0.04 0.00 0.00 33.50 31.70 3iml n PRO 139 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 3iml h LEU 140 N 1.72 -0.03 -0.45 1.53 5.85 -1.98 -2.75 115.31 119.20 3iml h LEU 140 Ca -0.46 -0.09 0.08 0.00 0.84 0.00 0.00 57.88 58.25 3iml h LEU 140 Cb 1.32 0.01 -0.07 0.00 0.37 0.00 0.00 40.66 42.29 3iml h LEU 140 CO 0.58 0.06 0.03 -0.65 -0.34 0.00 0.00 178.44 178.12 3iml h PRO 141 N -0.13 0.14 -0.08 5.25 0.11 -1.91 -0.12 132.00 135.27 3iml h PRO 141 Ca -0.00 -0.01 -0.17 0.00 0.11 0.00 0.00 66.00 65.93 3iml h PRO 141 Cb 0.12 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 31.18 3iml h PRO 141 CO 0.01 0.09 -0.67 0.97 -0.21 0.00 0.00 178.00 178.19 3iml h ILE 142 N 0.15 1.39 -0.20 4.15 6.09 -1.85 -1.86 117.51 125.38 3iml h ILE 142 Ca 0.22 -2.08 -0.00 0.00 -1.37 0.00 0.00 64.86 61.62 3iml h ILE 142 Cb 0.31 2.07 -0.01 0.00 0.47 0.00 0.00 36.82 39.66 3iml h ILE 142 CO -0.34 0.62 0.11 -0.74 -3.07 0.00 0.00 178.15 174.73 3iml h HIS 143 N 0.22 0.27 -0.19 2.19 2.76 -0.97 -1.98 115.15 117.46 3iml h HIS 143 Ca -0.02 -0.01 -0.15 0.00 -2.20 0.00 0.00 60.37 57.99 3iml h HIS 143 Cb 1.21 -0.09 -0.01 0.00 1.55 0.00 0.00 27.41 30.08 3iml h HIS 143 CO 0.03 0.25 -0.51 -0.07 -1.30 0.00 0.00 177.93 176.33 3iml h LEU 144 N 0.21 0.59 -0.30 0.26 3.38 -1.06 -1.69 115.31 116.71 3iml h LEU 144 Ca 0.07 -0.30 0.05 0.00 0.09 0.00 0.00 57.88 57.79 3iml h LEU 144 Cb 0.07 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 40.60 3iml h LEU 144 CO -0.01 1.00 -0.00 0.28 0.09 0.00 0.00 178.44 179.80 3iml h SER 145 N 0.42 -0.12 -0.38 -0.43 0.02 -1.16 -0.29 113.55 111.61 3iml h SER 145 Ca 0.02 0.07 -0.02 0.00 -0.84 0.00 0.00 61.79 61.01 3iml h SER 145 Cb 1.04 0.12 -0.02 0.00 0.14 0.00 0.00 62.40 63.68 3iml h SER 145 CO 0.10 -0.03 0.16 0.45 -1.14 0.00 0.00 176.83 176.37 3iml h HIS 146 N 0.09 0.58 -0.39 3.45 3.86 -1.25 -2.96 115.15 118.52 3iml h HIS 146 Ca 0.14 -0.04 0.02 0.00 -1.16 0.00 0.00 60.37 59.33 3iml h HIS 146 Cb 0.19 -0.17 -0.02 0.00 1.06 0.00 0.00 27.41 28.46 3iml h HIS 146 CO -0.22 0.51 0.26 0.00 0.86 0.00 0.00 177.93 179.34 3iml h ARG 147 N 0.48 0.46 0.11 2.45 -0.00 -0.82 -1.59 114.38 115.46 3iml h ARG 147 Ca 0.13 -0.03 -0.01 0.00 -0.50 0.00 0.00 59.98 59.58 3iml h ARG 147 Cb 0.17 -0.10 0.00 0.00 0.00 0.00 0.00 29.97 30.04 3iml h ARG 147 CO -0.01 0.31 -0.05 -0.07 0.00 0.00 0.00 179.97 180.14 3iml h LEU 148 N 0.48 -0.12 -0.90 3.04 3.38 -0.90 -0.85 115.31 119.44 3iml h LEU 148 Ca 0.15 -0.29 -0.12 0.00 0.09 0.00 0.00 57.88 57.72 3iml h LEU 148 Cb 0.02 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 3iml h LEU 148 CO -0.03 0.23 -0.49 -0.37 0.09 0.00 0.00 178.44 177.87 3iml h VAL 149 N -0.49 1.35 -0.50 1.22 -1.51 -1.44 -1.23 116.25 113.64 3iml h VAL 149 Ca -0.01 -1.70 -0.11 0.00 -1.23 0.00 0.00 66.70 63.64 3iml h VAL 149 Cb 0.40 1.85 -0.02 0.00 -2.13 0.00 0.00 31.29 31.39 3iml h VAL 149 CO 0.02 0.50 -0.12 -0.08 -1.23 0.00 0.00 177.57 176.66 3iml h GLU 150 N 0.12 0.95 -0.47 5.19 4.81 -1.33 -1.80 114.58 122.05 3iml h GLU 150 Ca 0.00 -0.34 0.03 0.00 -0.13 0.00 0.00 59.36 58.92 3iml h GLU 150 Cb 0.91 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 30.19 3iml h GLU 150 CO 0.07 1.01 0.27 -0.09 -0.73 0.00 0.00 179.01 179.54 3iml h ARG 151 N 0.84 0.53 -0.28 1.92 9.65 -0.50 -1.00 114.38 125.54 3iml h ARG 151 Ca 0.13 -0.03 -0.08 0.00 -1.10 0.00 0.00 59.98 58.90 3iml h ARG 151 Cb 0.66 -0.12 -0.02 0.00 -1.39 0.00 0.00 29.97 29.11 3iml h ARG 151 CO 0.05 0.35 -0.15 -0.56 2.80 0.00 0.00 179.97 182.45 3iml h GLN 152 N 0.54 0.49 -0.73 0.20 -0.00 -1.05 0.02 115.11 114.58 3iml h GLN 152 Ca 0.19 -0.15 -0.06 0.00 -0.00 0.00 0.00 58.65 58.64 3iml h GLN 152 Cb 0.04 -0.05 -0.03 0.00 -0.00 0.00 0.00 27.48 27.44 3iml h GLN 152 CO -0.10 0.63 0.23 0.00 -0.00 0.00 0.00 178.83 179.59 3iml h ALA 153 N 1.40 0.95 -0.32 0.06 0.00 -1.06 -0.67 119.26 119.63 3iml h ALA 153 Ca 0.08 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.72 3iml h ALA 153 Cb 0.53 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3iml h ALA 153 CO 0.03 0.63 -0.00 -0.91 0.00 0.00 0.00 179.25 179.00 3iml h ASN 154 N 1.07 0.55 -0.41 0.00 4.21 -0.50 -1.41 115.58 119.10 3iml h ASN 154 Ca 0.24 -0.31 -0.09 0.00 1.21 0.00 0.00 56.30 57.34 3iml h ASN 154 Cb 0.30 -0.15 -0.02 0.00 -1.12 0.00 0.00 38.32 37.33 3iml h ASN 154 CO -0.01 0.73 -0.08 -0.07 -1.29 0.00 0.00 177.43 176.71 3iml h LEU 155 N 0.36 0.84 -0.54 1.61 3.38 -0.93 -2.09 115.31 117.94 3iml h LEU 155 Ca 0.09 -0.25 0.01 0.00 0.09 0.00 0.00 57.88 57.82 3iml h LEU 155 Cb 0.45 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 3iml h LEU 155 CO 0.02 0.95 0.36 -0.09 0.09 0.00 0.00 178.44 179.76 3iml h ARG 156 N 0.77 0.71 -0.26 1.13 2.43 -0.99 -1.86 114.38 116.31 3iml h ARG 156 Ca 0.13 -0.04 -0.12 0.00 -0.81 0.00 0.00 59.98 59.14 3iml h ARG 156 Cb 0.58 -0.16 -0.00 0.00 -0.42 0.00 0.00 29.97 29.97 3iml h ARG 156 CO 0.04 0.47 -0.31 0.00 -1.51 0.00 0.00 179.97 178.65 3iml h ARG 157 N 0.73 0.66 -0.00 0.20 3.08 -1.06 -2.97 114.38 115.02 3iml h ARG 157 Ca 0.20 -0.37 0.00 0.00 0.07 0.00 0.00 59.98 59.87 3iml h ARG 157 Cb -0.08 0.02 0.00 0.00 0.08 0.00 0.00 29.97 29.99 3iml h ARG 157 CO -0.04 0.98 -0.05 -0.40 -1.07 0.00 0.00 179.97 179.39 3iml n ASP 158 N -4.27 0.15 -0.05 7.04 5.68 -0.80 -4.91 116.55 119.38 3iml n ASP 158 Ca -0.05 -0.18 -0.01 0.00 -0.50 0.00 0.00 54.79 54.06 3iml n ASP 158 Cb 0.49 -0.23 -0.00 0.00 -1.14 0.00 0.00 41.12 40.23 3iml n ASP 158 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3iml n GLY 159 N 1.32 0.46 0.24 6.12 0.00 -0.77 -4.94 105.19 107.62 3iml n GLY 159 Ca 0.13 -0.80 -0.06 0.00 0.00 0.00 0.00 46.02 45.29 3iml n GLY 159 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3iml h ARG 160 N 0.22 0.76 -3.64 1.61 9.65 -1.65 -3.26 114.38 118.07 3iml h ARG 160 Ca -0.01 -0.05 -0.67 0.00 -1.10 0.00 0.00 59.98 58.15 3iml h ARG 160 Cb 0.06 -0.17 -0.38 0.00 -1.39 0.00 0.00 29.97 28.09 3iml h ARG 160 CO 0.02 0.50 -0.49 -0.51 2.80 0.00 0.00 179.97 182.29 3iml s LEU 161 N -10.16 4.88 0.64 3.80 1.43 -1.24 -5.01 118.68 113.02 3iml s LEU 161 Ca -0.13 -2.82 0.37 0.00 -1.03 0.00 0.00 54.13 50.52 3iml s LEU 161 Cb 0.13 -1.76 2.07 0.00 0.03 0.00 0.00 46.19 46.66 3iml s LEU 161 CO 0.75 -0.33 2.24 1.55 0.23 0.00 0.00 176.35 180.79 3iml h PRO 162 N 6.94 0.00 -0.02 1.29 0.13 -1.88 -2.55 132.00 135.92 3iml h PRO 162 Ca -0.05 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.08 3iml h PRO 162 Cb 0.94 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.07 3iml h PRO 162 CO 0.69 0.00 0.00 -2.67 -0.23 0.00 0.00 178.00 175.79 3iml n TRP 163 N -3.31 0.00 -2.26 1.56 4.27 -1.26 -4.90 117.44 111.55 3iml n TRP 163 Ca -0.02 -0.00 -0.41 0.00 -3.89 0.00 0.00 57.50 53.18 3iml n TRP 163 Cb 0.17 0.00 -0.03 0.00 -1.36 0.00 0.00 31.31 30.09 3iml n TRP 163 CO 0.00 0.00 0.00 -0.51 -2.29 0.00 0.00 177.69 174.89 3iml s LEU 164 N -2.00 4.48 0.40 5.67 1.43 -0.96 -0.20 118.68 127.50 3iml s LEU 164 Ca 0.38 2.51 0.07 0.00 -1.03 0.00 0.00 54.13 56.06 3iml s LEU 164 Cb 0.21 -3.64 -0.08 0.00 0.03 0.00 0.00 46.19 42.71 3iml s LEU 164 CO 0.33 -0.38 0.01 -0.13 0.23 0.00 0.00 176.35 176.41 3iml s ARG 165 N -1.55 1.96 0.19 1.70 0.52 -0.75 -4.81 118.95 116.20 3iml s ARG 165 Ca 0.48 -2.08 -0.12 0.00 -0.52 0.00 0.00 55.73 53.49 3iml s ARG 165 Cb -0.37 -1.66 0.12 0.00 0.52 0.00 0.00 34.95 33.56 3iml s ARG 165 CO 0.47 -0.03 1.86 -1.35 0.02 0.00 0.00 175.30 176.27 3iml h PRO 166 N 1.78 0.86 -6.63 3.54 0.11 -1.86 -3.40 132.00 126.40 3iml h PRO 166 Ca -0.44 -0.05 -0.52 0.00 0.11 0.00 0.00 66.00 65.10 3iml h PRO 166 Cb 1.24 -0.19 0.02 0.00 0.11 0.00 0.00 31.00 32.17 3iml h PRO 166 CO 0.79 0.57 0.57 0.34 -0.21 0.00 0.00 178.00 180.06 3iml s ASP 167 N -5.79 7.07 -0.14 -2.05 -1.08 -1.26 -3.74 116.67 109.68 3iml s ASP 167 Ca -0.13 2.21 -0.30 0.00 -0.52 0.00 0.00 52.55 53.81 3iml s ASP 167 Cb 0.14 -2.60 0.11 0.00 -1.46 0.00 0.00 42.92 39.11 3iml s ASP 167 CO 0.76 -0.40 0.92 0.00 0.52 0.00 0.00 175.17 176.97 3iml s ALA 168 N 0.15 -1.89 -0.02 3.66 0.00 -1.26 -0.88 121.76 121.52 3iml s ALA 168 Ca 0.54 1.54 0.02 0.00 0.00 0.00 0.00 51.96 54.06 3iml s ALA 168 Cb -0.32 -0.57 -0.00 0.00 0.00 0.00 0.00 23.12 22.23 3iml s ALA 168 CO 0.35 -0.32 -0.08 0.21 0.00 0.00 0.00 175.76 175.92 3iml s LYS 169 N -1.07 0.79 0.02 0.00 2.20 0.21 -0.21 119.74 121.68 3iml s LYS 169 Ca -0.04 -0.28 0.07 0.00 -0.36 0.00 0.00 55.97 55.36 3iml s LYS 169 Cb -0.01 -0.75 -0.02 0.00 -1.51 0.00 0.00 37.83 35.54 3iml s LYS 169 CO 0.03 0.13 -0.20 -1.54 -0.36 0.00 0.00 175.35 173.41 3iml s SER 170 N 0.05 2.36 -0.07 1.43 1.04 -0.37 -1.50 113.70 116.63 3iml s SER 170 Ca -0.01 -0.44 -0.03 0.00 0.48 0.00 0.00 55.95 55.95 3iml s SER 170 Cb -0.06 -0.22 0.04 0.00 0.10 0.00 0.00 66.02 65.88 3iml s SER 170 CO 0.00 0.19 0.14 -1.58 0.98 0.00 0.00 173.24 172.97 3iml s GLN 171 N -0.86 0.05 -0.13 4.02 0.74 -0.56 -0.68 119.66 122.25 3iml s GLN 171 Ca 0.07 0.43 0.02 0.00 0.05 0.00 0.00 55.36 55.93 3iml s GLN 171 Cb -0.08 -0.23 0.01 0.00 1.10 0.00 0.00 33.01 33.81 3iml s GLN 171 CO 0.01 -0.22 -0.18 0.08 -0.55 0.00 0.00 175.29 174.42 3iml s VAL 172 N 1.61 1.73 -0.21 1.34 1.01 -0.37 -0.51 120.40 125.01 3iml s VAL 172 Ca -0.04 -0.78 -0.05 0.00 0.00 0.00 0.00 61.98 61.12 3iml s VAL 172 Cb -0.12 -1.57 -0.02 0.00 0.00 0.00 0.00 36.38 34.68 3iml s VAL 172 CO -0.06 0.49 -0.01 -0.89 0.00 0.00 0.00 175.10 174.63 3iml s THR 173 N 0.99 3.76 -0.11 3.92 2.01 0.25 -1.75 115.64 124.70 3iml s THR 173 Ca -0.05 -0.37 -0.01 0.00 0.31 0.00 0.00 61.69 61.56 3iml s THR 173 Cb -0.15 -2.70 -0.03 0.00 0.01 0.00 0.00 72.50 69.63 3iml s THR 173 CO -0.03 0.42 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.57 3iml s VAL 174 N 1.18 3.77 -0.26 3.82 1.01 -0.22 -1.12 120.40 128.57 3iml s VAL 174 Ca 0.03 -0.43 -0.25 0.00 0.00 0.00 0.00 61.98 61.33 3iml s VAL 174 Cb -0.15 -2.60 -0.00 0.00 0.00 0.00 0.00 36.38 33.64 3iml s VAL 174 CO 0.01 0.55 0.87 -0.60 0.00 0.00 0.00 175.10 175.92 3iml s ARG 175 N -0.20 4.15 -0.24 2.72 3.52 -0.10 -1.10 118.95 127.69 3iml s ARG 175 Ca 0.03 0.95 -0.10 0.00 -0.13 0.00 0.00 55.73 56.47 3iml s ARG 175 Cb -0.13 -3.67 -0.05 0.00 -1.56 0.00 0.00 34.95 29.55 3iml s ARG 175 CO 0.03 -0.59 0.15 0.71 -0.81 0.00 0.00 175.30 174.79 3iml s TYR 176 N 2.97 3.29 -0.15 5.12 2.02 0.51 -1.29 117.35 129.81 3iml s TYR 176 Ca 0.36 0.17 0.02 0.00 -0.37 0.00 0.00 57.07 57.25 3iml s TYR 176 Cb -0.15 -2.27 0.01 0.00 -0.40 0.00 0.00 41.96 39.15 3iml s TYR 176 CO 0.09 0.03 -0.19 0.08 -1.57 0.00 0.00 175.55 173.98 3iml s VAL 177 N 1.12 2.28 -1.44 0.71 1.01 -0.73 -1.48 120.40 121.87 3iml s VAL 177 Ca 0.07 -0.90 -0.05 0.00 0.00 0.00 0.00 61.98 61.10 3iml s VAL 177 Cb -0.14 -1.93 0.04 0.00 0.00 0.00 0.00 36.38 34.35 3iml s VAL 177 CO 0.05 0.54 0.68 0.47 0.00 0.00 0.00 175.10 176.83 3iml n ASP 178 N 4.10 -1.96 0.00 3.32 8.00 -1.26 -2.58 116.55 126.17 3iml n ASP 178 Ca -0.20 -0.90 0.00 0.00 0.71 0.00 0.00 54.79 54.41 3iml n ASP 178 Cb 0.52 -3.53 0.00 0.00 -0.02 0.00 0.00 41.12 38.09 3iml n ASP 178 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3iml n GLY 179 N -1.72 1.49 3.28 0.44 0.00 -1.26 -4.99 105.19 102.42 3iml n GLY 179 Ca -0.18 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.59 3iml n GLY 179 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3iml s LYS 180 N -0.11 1.26 0.19 1.61 0.00 -1.07 -5.09 119.74 116.54 3iml s LYS 180 Ca 0.00 -1.07 -0.33 0.00 0.00 0.00 0.00 55.97 54.57 3iml s LYS 180 Cb 0.00 -1.48 -0.14 0.00 0.00 0.00 0.00 37.83 36.22 3iml s LYS 180 CO 0.00 0.36 1.48 -2.30 0.00 0.00 0.00 175.35 174.89 3iml n PRO 181 N 1.42 1.99 -0.06 1.78 -0.02 -1.26 -1.77 135.00 137.09 3iml n PRO 181 Ca -0.18 0.71 -0.11 0.00 -2.02 0.00 0.00 63.50 61.90 3iml n PRO 181 Cb 0.53 -2.42 -0.04 0.00 -0.02 0.00 0.00 33.50 31.55 3iml n PRO 181 CO 0.00 0.00 0.00 1.58 1.98 0.00 0.00 175.50 179.06 3iml n HIS 182 N 2.66 0.00 -3.66 6.00 -0.00 -0.42 -4.82 115.22 114.98 3iml n HIS 182 Ca 0.15 0.00 -0.12 0.00 0.46 0.00 0.00 57.72 58.21 3iml n HIS 182 Cb 0.29 -0.41 -0.06 0.00 -0.12 0.00 0.00 29.99 29.69 3iml n HIS 182 CO 0.00 0.00 0.00 -1.54 0.46 0.00 0.00 176.34 175.26 3iml s SER 183 N -5.82 -0.25 -0.44 0.26 1.04 -1.13 -4.68 113.70 102.66 3iml s SER 183 Ca -0.16 -0.11 -0.19 0.00 0.48 0.00 0.00 55.95 55.97 3iml s SER 183 Cb 0.06 0.43 0.03 0.00 0.10 0.00 0.00 66.02 66.64 3iml s SER 183 CO 0.21 -0.72 0.56 -0.63 0.98 0.00 0.00 173.24 173.64 3iml s ILE 184 N -2.87 4.94 -0.05 -1.02 1.01 -0.45 -0.92 121.20 121.84 3iml s ILE 184 Ca -0.03 -0.19 -0.18 0.00 0.00 0.00 0.00 60.65 60.25 3iml s ILE 184 Cb 0.00 -4.16 -0.12 0.00 0.01 0.00 0.00 42.46 38.19 3iml s ILE 184 CO -0.05 -0.57 0.73 -0.78 0.00 0.00 0.00 174.94 174.27 3iml h ASP 185 N 8.84 -0.28 -3.65 3.58 3.58 -1.46 -3.41 116.42 123.63 3iml h ASP 185 Ca -0.26 -0.19 -0.31 0.00 0.42 0.00 0.00 57.03 56.69 3iml h ASP 185 Cb 1.10 0.07 -0.31 0.00 1.72 0.00 0.00 39.33 41.91 3iml h ASP 185 CO 0.87 0.22 -0.74 -0.89 -2.88 0.00 0.00 179.24 175.82 3iml s THR 186 N -3.27 0.17 -0.14 2.25 2.01 -1.07 -1.64 115.64 113.95 3iml s THR 186 Ca -0.10 0.01 0.01 0.00 0.31 0.00 0.00 61.69 61.92 3iml s THR 186 Cb 0.01 -0.21 0.00 0.00 0.01 0.00 0.00 72.50 72.30 3iml s THR 186 CO 0.36 0.10 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.51 3iml s VAL 187 N 0.52 2.44 -0.11 3.82 1.01 -0.56 -0.59 120.40 126.93 3iml s VAL 187 Ca -0.05 -0.86 -0.01 0.00 0.00 0.00 0.00 61.98 61.06 3iml s VAL 187 Cb -0.08 -2.00 -0.03 0.00 0.00 0.00 0.00 36.38 34.27 3iml s VAL 187 CO -0.01 0.53 -0.06 -0.69 0.00 0.00 0.00 175.10 174.88 3iml s VAL 188 N 0.72 3.78 -0.17 2.92 1.01 0.34 -1.35 120.40 127.65 3iml s VAL 188 Ca -0.08 -0.42 -0.04 0.00 0.00 0.00 0.00 61.98 61.43 3iml s VAL 188 Cb -0.16 -2.60 0.07 0.00 0.00 0.00 0.00 36.38 33.69 3iml s VAL 188 CO 0.01 0.55 0.16 -0.22 0.00 0.00 0.00 175.10 175.59 3iml s LEU 189 N -0.20 0.08 -0.23 3.92 0.20 -0.17 -1.50 118.68 120.77 3iml s LEU 189 Ca 0.03 -0.27 -0.09 0.00 0.69 0.00 0.00 54.13 54.49 3iml s LEU 189 Cb -0.13 0.11 -0.04 0.00 -0.43 0.00 0.00 46.19 45.70 3iml s LEU 189 CO 0.03 -0.32 0.10 -0.44 -0.29 0.00 0.00 176.35 175.43 3iml s SER 190 N 2.24 5.59 -0.00 3.68 0.01 -0.56 -1.62 113.70 123.04 3iml s SER 190 Ca 0.04 -0.04 0.06 0.00 1.31 0.00 0.00 55.95 57.32 3iml s SER 190 Cb -0.15 -2.00 -0.02 0.00 0.21 0.00 0.00 66.02 64.06 3iml s SER 190 CO -0.10 0.04 -0.18 0.28 0.41 0.00 0.00 173.24 173.69 3iml s THR 191 N 1.20 1.43 0.59 1.44 -1.32 -1.26 -0.62 115.64 117.11 3iml s THR 191 Ca 0.06 -0.83 -0.18 0.00 -1.21 0.00 0.00 61.69 59.53 3iml s THR 191 Cb -0.14 -1.20 -0.03 0.00 -1.51 0.00 0.00 72.50 69.61 3iml s THR 191 CO 0.04 0.36 1.16 -1.58 -2.21 0.00 0.00 174.62 172.39 3iml s GLN 192 N -0.54 3.03 0.11 7.08 0.74 -0.06 -4.67 119.66 125.35 3iml s GLN 192 Ca 0.07 1.66 -0.20 0.00 0.05 0.00 0.00 55.36 56.94 3iml s GLN 192 Cb -0.07 -1.96 0.05 0.00 1.10 0.00 0.00 33.01 32.13 3iml s GLN 192 CO -0.00 -1.12 0.49 -3.38 -0.55 0.00 0.00 175.29 170.73 3iml s HIS 193 N -1.82 -0.36 0.64 1.67 -3.43 -0.20 -1.82 115.29 109.96 3iml s HIS 193 Ca 0.73 0.19 -0.18 0.00 -0.80 0.00 0.00 55.06 55.01 3iml s HIS 193 Cb -0.26 0.37 -0.01 0.00 -1.43 0.00 0.00 32.58 31.25 3iml s HIS 193 CO 0.33 -0.72 1.23 0.00 -2.00 0.00 0.00 174.74 173.58 3iml s ALA 194 N -3.37 2.40 0.29 -1.38 0.00 0.72 -4.27 121.76 116.15 3iml s ALA 194 Ca -0.00 1.04 0.25 0.00 0.00 0.00 0.00 51.96 53.25 3iml s ALA 194 Cb 0.00 -3.49 1.15 0.00 0.00 0.00 0.00 23.12 20.79 3iml s ALA 194 CO -0.09 -1.45 1.94 -1.00 0.00 0.00 0.00 175.76 175.16 3iml h PRO 195 N 0.52 0.00 0.00 0.00 0.13 -1.93 -3.22 132.00 127.51 3iml h PRO 195 Ca -0.50 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.62 3iml h PRO 195 Cb 1.31 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.44 3iml h PRO 195 CO 0.53 0.20 -0.04 1.05 -0.23 0.00 0.00 178.00 179.51 3iml h GLU 196 N 0.00 0.00 -6.05 0.86 9.09 -1.98 -3.43 114.58 113.07 3iml h GLU 196 Ca -0.00 0.00 -0.58 0.00 0.05 0.00 0.00 59.36 58.83 3iml h GLU 196 Cb 0.55 0.00 -0.06 0.00 -1.65 0.00 0.00 28.75 27.60 3iml h GLU 196 CO 0.03 0.04 -0.06 -1.50 0.05 0.00 0.00 179.01 177.56 3iml s ILE 197 N -3.96 4.93 0.64 -1.06 2.07 -1.22 -5.07 121.20 117.53 3iml s ILE 197 Ca -0.02 1.14 -0.11 0.00 -1.41 0.00 0.00 60.65 60.25 3iml s ILE 197 Cb 0.11 -3.88 -0.03 0.00 0.13 0.00 0.00 42.46 38.80 3iml s ILE 197 CO 0.51 0.45 1.04 1.51 -1.91 0.00 0.00 174.94 176.54 3iml s ASP 198 N -0.36 6.08 -0.02 4.50 -4.77 -1.26 -4.93 116.67 115.91 3iml s ASP 198 Ca 0.29 1.36 -0.22 0.00 -3.30 0.00 0.00 52.55 50.67 3iml s ASP 198 Cb -0.18 -2.36 -0.15 0.00 -1.09 0.00 0.00 42.92 39.14 3iml s ASP 198 CO 0.16 -0.96 1.01 -0.07 0.70 0.00 0.00 175.17 176.01 3iml h LEU 199 N -0.38 -0.35 -0.79 2.11 3.38 -1.98 -1.87 115.31 115.44 3iml h LEU 199 Ca -0.44 -0.19 0.19 0.00 0.09 0.00 0.00 57.88 57.53 3iml h LEU 199 Cb 1.20 0.09 -0.13 0.00 0.09 0.00 0.00 40.66 41.91 3iml h LEU 199 CO 0.62 0.09 0.12 -0.65 0.09 0.00 0.00 178.44 178.71 3iml h PRO 200 N -0.89 0.17 0.29 1.13 0.11 -1.99 0.24 132.00 131.07 3iml h PRO 200 Ca -0.04 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.04 3iml h PRO 200 Cb 0.52 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.59 3iml h PRO 200 CO 0.07 0.12 -0.14 0.00 -0.21 0.00 0.00 178.00 177.83 3iml h ALA 201 N 1.70 -0.39 -0.54 -0.75 0.00 -1.97 -1.76 119.26 115.55 3iml h ALA 201 Ca 0.45 -0.11 0.11 0.00 0.00 0.00 0.00 54.91 55.36 3iml h ALA 201 Cb 0.83 0.15 -0.10 0.00 0.00 0.00 0.00 17.79 18.67 3iml h ALA 201 CO -0.62 -0.68 -0.12 1.25 0.00 0.00 0.00 179.25 179.08 3iml h LEU 202 N -0.47 -0.48 -0.59 0.00 6.46 -0.35 -0.69 115.31 119.18 3iml h LEU 202 Ca -0.04 0.16 0.01 0.00 -0.12 0.00 0.00 57.88 57.89 3iml h LEU 202 Cb 0.36 0.33 -0.03 0.00 -0.73 0.00 0.00 40.66 40.58 3iml h LEU 202 CO 0.07 -0.17 0.39 0.03 -0.62 0.00 0.00 178.44 178.13 3iml h ARG 203 N 0.01 0.78 -0.63 1.25 3.08 -0.41 -1.05 114.38 117.40 3iml h ARG 203 Ca 0.26 -0.05 -0.08 0.00 0.07 0.00 0.00 59.98 60.18 3iml h ARG 203 Cb 0.40 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.26 3iml h ARG 203 CO -0.55 0.52 0.06 1.49 -1.07 0.00 0.00 179.97 180.42 3iml h GLU 204 N 0.80 1.06 -0.68 0.04 4.81 -0.71 -2.11 114.58 117.78 3iml h GLU 204 Ca 0.22 -0.30 -0.08 0.00 -0.13 0.00 0.00 59.36 59.07 3iml h GLU 204 Cb -0.09 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.15 3iml h GLU 204 CO -0.05 0.99 0.12 0.00 -0.73 0.00 0.00 179.01 179.35 3iml h ALA 205 N 1.08 0.90 -0.32 2.92 0.00 -0.71 -2.79 119.26 120.34 3iml h ALA 205 Ca 0.19 -0.27 -0.18 0.00 0.00 0.00 0.00 54.91 54.65 3iml h ALA 205 Cb 0.48 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 3iml h ALA 205 CO 0.02 0.67 -0.49 0.28 0.00 0.00 0.00 179.25 179.72 3iml h VAL 206 N 1.05 1.27 -0.56 0.00 2.07 -1.02 -0.53 116.25 118.53 3iml h VAL 206 Ca 0.21 -1.67 0.00 0.00 0.82 0.00 0.00 66.70 66.06 3iml h VAL 206 Cb 0.43 1.54 -0.03 0.00 -1.52 0.00 0.00 31.29 31.71 3iml h VAL 206 CO 0.01 0.55 0.35 0.40 0.02 0.00 0.00 177.57 178.90 3iml h ILE 207 N 0.71 1.16 0.12 4.57 2.04 -1.35 0.17 117.51 124.93 3iml h ILE 207 Ca 0.03 -0.33 -0.28 0.00 1.00 0.00 0.00 64.86 65.28 3iml h ILE 207 Cb 1.10 0.38 0.01 0.00 -0.74 0.00 0.00 36.82 37.56 3iml h ILE 207 CO 0.11 0.16 -1.22 -0.08 0.00 0.00 0.00 178.15 177.12 3iml h GLU 208 N 0.75 0.39 0.01 2.37 4.81 -1.42 -0.50 114.58 120.99 3iml h GLU 208 Ca 0.20 -0.58 -0.38 0.00 -0.13 0.00 0.00 59.36 58.47 3iml h GLU 208 Cb -0.04 0.21 -0.06 0.00 0.63 0.00 0.00 28.75 29.48 3iml h GLU 208 CO -0.04 1.25 -2.37 0.39 -0.73 0.00 0.00 179.01 177.52 3iml n GLU 209 N -3.64 0.67 -0.11 1.92 -0.58 -0.21 -4.38 120.64 114.31 3iml n GLU 209 Ca -0.10 0.12 -0.18 0.00 -0.42 0.00 0.00 57.16 56.58 3iml n GLU 209 Cb 1.00 -1.55 -0.06 0.00 -0.57 0.00 0.00 31.44 30.25 3iml n GLU 209 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 3iml n VAL 210 N -3.12 1.51 0.08 2.62 0.31 -0.42 -4.67 118.33 114.64 3iml n VAL 210 Ca -0.39 -0.08 -0.04 0.00 -0.01 0.00 0.00 64.34 63.82 3iml n VAL 210 Cb 1.05 -2.14 -0.02 0.00 -0.91 0.00 0.00 33.84 31.82 3iml n VAL 210 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 3iml h ILE 211 N -1.00 0.00 -0.97 2.52 2.04 -1.03 -3.34 117.51 115.72 3iml h ILE 211 Ca -0.31 -0.37 0.09 0.00 1.00 0.00 0.00 64.86 65.26 3iml h ILE 211 Cb 1.22 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 37.23 3iml h ILE 211 CO -0.19 0.00 0.63 0.11 0.00 0.00 0.00 178.15 178.70 3iml h LYS 212 N -0.61 1.03 0.00 2.37 1.57 -1.31 -1.39 116.57 118.23 3iml h LYS 212 Ca -0.03 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 3iml h LYS 212 Cb 0.19 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 32.27 3iml h LYS 212 CO 0.04 0.68 0.00 -2.30 -0.57 0.00 0.00 179.45 177.30 3iml n PRO 213 N -4.53 0.04 0.10 3.15 -0.02 -1.26 -2.51 135.00 129.96 3iml n PRO 213 Ca 0.16 0.20 0.10 0.00 -2.02 0.00 0.00 63.50 61.93 3iml n PRO 213 Cb 0.25 -1.56 -0.00 0.00 -0.02 0.00 0.00 33.50 32.17 3iml n PRO 213 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 3iml h THR 214 N 0.00 0.09 -3.36 3.45 2.02 -1.37 -3.48 112.91 110.27 3iml h THR 214 Ca 0.00 -1.17 -0.56 0.00 0.77 0.00 0.00 66.41 65.45 3iml h THR 214 Cb 0.36 1.62 -0.04 0.00 -1.74 0.00 0.00 68.15 68.35 3iml h THR 214 CO 0.00 0.05 0.06 -0.76 0.37 0.00 0.00 175.52 175.24 3iml s LEU 215 N -5.49 4.48 -0.04 2.58 1.43 -1.04 -5.01 118.68 115.59 3iml s LEU 215 Ca -0.00 1.34 -0.30 0.00 -1.03 0.00 0.00 54.13 54.14 3iml s LEU 215 Cb 0.09 -3.06 -0.07 0.00 0.03 0.00 0.00 46.19 43.18 3iml s LEU 215 CO 0.79 0.14 1.94 -2.84 0.23 0.00 0.00 176.35 176.60 3iml s PRO 216 N -0.52 3.95 0.30 1.29 0.02 -1.26 -4.86 135.00 133.91 3iml s PRO 216 Ca 0.33 2.37 0.04 0.00 0.02 0.00 0.00 61.00 63.77 3iml s PRO 216 Cb -0.20 -4.16 0.78 0.00 0.02 0.00 0.00 34.50 30.93 3iml s PRO 216 CO 0.21 -1.16 1.65 0.00 -0.33 0.00 0.00 177.00 177.36 3iml h ALA 217 N 11.21 1.39 0.00 -1.55 0.00 -1.95 0.25 119.26 128.61 3iml h ALA 217 Ca -0.45 0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.68 3iml h ALA 217 Cb 1.22 0.30 0.00 0.00 0.00 0.00 0.00 17.79 19.31 3iml h ALA 217 CO 0.95 -0.49 0.00 -0.40 0.00 0.00 0.00 179.25 179.31 3iml n ASP 218 N -5.20 0.00 -0.76 0.00 3.85 -1.26 -2.18 116.55 110.99 3iml n ASP 218 Ca 0.23 -0.49 0.11 0.00 -0.71 0.00 0.00 54.79 53.93 3iml n ASP 218 Cb 0.74 -0.13 0.06 0.00 -1.35 0.00 0.00 41.12 40.44 3iml n ASP 218 CO 0.00 0.00 0.00 0.18 -1.01 0.00 0.00 177.20 176.37 3iml n LEU 219 N -1.13 2.58 -4.55 -2.12 4.77 0.07 -4.89 117.00 111.73 3iml n LEU 219 Ca 0.16 -0.92 -0.43 0.00 -0.03 0.00 0.00 56.01 54.80 3iml n LEU 219 Cb 0.14 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.19 3iml n LEU 219 CO 0.17 0.45 0.76 -0.63 -1.33 0.00 0.00 177.39 176.80 3iml s ILE 220 N -2.07 4.44 0.48 -0.08 -1.09 -0.93 -1.34 121.20 120.60 3iml s ILE 220 Ca 0.24 0.62 0.06 0.00 -2.23 0.00 0.00 60.65 59.34 3iml s ILE 220 Cb 0.18 -4.47 -0.00 0.00 -1.58 0.00 0.00 42.46 36.59 3iml s ILE 220 CO 0.38 -0.93 0.28 -0.54 -1.23 0.00 0.00 174.94 172.90 3iml s LYS 221 N 3.84 2.27 0.48 2.79 -0.14 -1.26 -5.03 119.74 122.70 3iml s LYS 221 Ca 0.35 -1.95 0.26 0.00 -1.36 0.00 0.00 55.97 53.27 3iml s LYS 221 Cb -0.11 -2.03 1.19 0.00 -1.68 0.00 0.00 37.83 35.20 3iml s LYS 221 CO 0.24 -0.37 1.95 0.78 -0.76 0.00 0.00 175.35 177.19 3iml h GLY 222 N 1.07 0.00 0.99 -3.33 0.00 -1.98 -2.53 103.07 97.29 3iml h GLY 222 Ca -0.40 0.00 0.10 0.00 0.00 0.00 0.00 47.33 47.03 3iml h GLY 222 CO 0.63 0.00 0.41 -1.80 0.00 0.00 0.00 176.54 175.78 3iml h ASP 223 N 0.00 0.00 -3.73 0.19 1.82 -1.95 -3.47 116.42 109.28 3iml h ASP 223 Ca -0.00 0.00 -0.53 0.00 -0.39 0.00 0.00 57.03 56.11 3iml h ASP 223 Cb 0.54 0.00 0.09 0.00 0.68 0.00 0.00 39.33 40.64 3iml h ASP 223 CO 0.02 0.00 0.77 -0.51 -1.61 0.00 0.00 179.24 177.92 3iml s ILE 224 N -4.57 2.25 -0.18 2.25 2.07 -0.96 -4.97 121.20 117.09 3iml s ILE 224 Ca -0.04 0.24 0.01 0.00 -1.41 0.00 0.00 60.65 59.44 3iml s ILE 224 Cb 0.15 -3.15 0.02 0.00 0.13 0.00 0.00 42.46 39.61 3iml s ILE 224 CO 0.52 0.05 -0.19 -0.54 -1.91 0.00 0.00 174.94 172.88 3iml s LYS 225 N -1.49 2.86 -0.21 3.50 1.02 -0.65 -5.04 119.74 119.73 3iml s LYS 225 Ca 0.55 -0.84 -0.09 0.00 0.02 0.00 0.00 55.97 55.61 3iml s LYS 225 Cb -0.45 -2.55 -0.04 0.00 -0.52 0.00 0.00 37.83 34.27 3iml s LYS 225 CO 0.56 -0.24 0.11 -0.06 -0.92 0.00 0.00 175.35 174.79 3iml s PHE 226 N 1.29 3.28 -0.27 3.18 0.08 -1.26 -1.50 117.98 122.78 3iml s PHE 226 Ca 0.04 0.11 0.01 0.00 0.12 0.00 0.00 56.93 57.21 3iml s PHE 226 Cb -0.14 -2.17 0.08 0.00 -0.57 0.00 0.00 43.02 40.22 3iml s PHE 226 CO -0.12 0.09 -0.00 -0.51 -0.10 0.00 0.00 175.22 174.58 3iml s LEU 227 N 0.72 3.03 -0.17 -0.37 1.43 -0.45 -5.00 118.68 117.87 3iml s LEU 227 Ca 0.06 -1.49 -0.03 0.00 -1.03 0.00 0.00 54.13 51.63 3iml s LEU 227 Cb -0.13 -1.23 -0.02 0.00 0.03 0.00 0.00 46.19 44.84 3iml s LEU 227 CO 0.02 -0.30 -0.05 -0.69 0.23 0.00 0.00 176.35 175.55 3iml s VAL 228 N 1.32 3.62 -1.25 -1.59 1.01 -1.26 -1.00 120.40 121.24 3iml s VAL 228 Ca 0.01 -0.44 -0.22 0.00 0.00 0.00 0.00 61.98 61.33 3iml s VAL 228 Cb -0.19 -2.59 0.02 0.00 0.00 0.00 0.00 36.38 33.62 3iml s VAL 228 CO -0.10 0.47 0.61 0.59 0.00 0.00 0.00 175.10 176.68 3iml n ASN 229 N 3.90 -3.46 0.18 3.32 4.13 -0.64 -4.88 115.26 117.81 3iml n ASN 229 Ca -0.18 -1.16 0.06 0.00 1.68 0.00 0.00 54.58 54.98 3iml n ASN 229 Cb 0.52 -2.43 0.53 0.00 -1.54 0.00 0.00 39.78 36.86 3iml n ASN 229 CO 0.00 0.00 0.00 1.55 0.28 0.00 0.00 177.26 179.09 3iml h PRO 230 N -2.20 0.14 -0.08 3.52 0.13 -1.86 -0.60 132.00 131.06 3iml h PRO 230 Ca -0.68 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.43 3iml h PRO 230 Cb 1.39 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.49 3iml h PRO 230 CO 0.54 0.16 0.00 0.25 -0.23 0.00 0.00 178.00 178.72 3iml n THR 231 N -4.45 0.10 0.00 1.56 -2.24 -1.26 -5.04 114.28 102.95 3iml n THR 231 Ca -0.01 -0.21 0.00 0.00 -2.27 0.00 0.00 64.05 61.56 3iml n THR 231 Cb 0.14 0.16 0.00 0.00 -2.10 0.00 0.00 70.33 68.53 3iml n THR 231 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3iml n GLY 232 N 1.05 0.19 3.75 3.38 0.00 -0.23 -5.01 105.19 108.32 3iml n GLY 232 Ca 0.17 -1.81 -0.38 0.00 0.00 0.00 0.00 46.02 44.00 3iml n GLY 232 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3iml s ARG 233 N 0.00 3.15 -0.43 1.61 0.52 -1.26 -4.83 118.95 117.71 3iml s ARG 233 Ca 0.00 2.26 0.07 0.00 -0.52 0.00 0.00 55.73 57.54 3iml s ARG 233 Cb 0.00 -2.27 0.23 0.00 0.52 0.00 0.00 34.95 33.43 3iml s ARG 233 CO 0.00 -1.19 0.59 0.34 0.02 0.00 0.00 175.30 175.05 3iml n PHE 234 N -1.00 -1.41 -0.03 -0.53 -0.00 -1.26 -4.98 117.46 108.25 3iml n PHE 234 Ca 0.10 -2.94 -0.20 0.00 -0.00 0.00 0.00 57.45 54.41 3iml n PHE 234 Cb 0.45 0.33 -0.14 0.00 -0.00 0.00 0.00 39.48 40.12 3iml n PHE 234 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.76 177.04 3iml n VAL 235 N 1.84 1.71 -3.54 -2.13 0.31 -1.26 -1.04 118.33 114.22 3iml n VAL 235 Ca 0.20 -0.65 -0.38 0.00 -0.01 0.00 0.00 64.34 63.50 3iml n VAL 235 Cb 0.55 -1.62 -0.10 0.00 -0.91 0.00 0.00 33.84 31.75 3iml n VAL 235 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 3iml s ILE 236 N -2.55 5.28 0.22 2.52 -1.09 -1.26 -4.61 121.20 119.70 3iml s ILE 236 Ca -0.24 0.30 0.03 0.00 -2.23 0.00 0.00 60.65 58.51 3iml s ILE 236 Cb 0.07 -3.58 -0.01 0.00 -1.58 0.00 0.00 42.46 37.36 3iml s ILE 236 CO 0.74 0.24 0.11 0.61 -1.23 0.00 0.00 174.94 175.41 3iml n GLY 237 N 4.79 3.53 7.00 6.18 0.00 -1.26 -4.75 105.19 120.69 3iml n GLY 237 Ca -0.12 -1.94 0.00 0.00 0.00 0.00 0.00 46.02 43.96 3iml n GLY 237 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3iml n GLY 238 N 0.20 -0.69 0.39 -0.02 0.00 -1.25 -3.30 105.19 100.52 3iml n GLY 238 Ca -0.00 -1.09 0.24 0.00 0.00 0.00 0.00 46.02 45.17 3iml n GLY 238 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3iml h PRO 239 N 0.00 0.37 -0.95 1.61 0.11 -1.83 0.99 132.00 132.30 3iml h PRO 239 Ca 0.00 -0.02 0.10 0.00 0.11 0.00 0.00 66.00 66.19 3iml h PRO 239 Cb 0.00 -0.08 -0.07 0.00 0.11 0.00 0.00 31.00 30.96 3iml h PRO 239 CO 0.00 0.24 0.61 0.37 -0.21 0.00 0.00 178.00 179.01 3iml h GLN 240 N 0.38 0.93 0.23 1.05 4.15 -1.80 -2.46 115.11 117.59 3iml h GLN 240 Ca 0.66 -0.06 -0.35 0.00 0.77 0.00 0.00 58.65 59.67 3iml h GLN 240 Cb 1.63 -0.21 0.03 0.00 0.21 0.00 0.00 27.48 29.13 3iml h GLN 240 CO -0.39 0.62 -1.61 0.78 -1.93 0.00 0.00 178.83 176.29 3iml h GLY 241 N 0.96 0.55 -4.76 2.39 0.00 -0.81 -3.41 103.07 97.99 3iml h GLY 241 Ca 0.45 -1.40 -0.11 0.00 0.00 0.00 0.00 47.33 46.27 3iml h GLY 241 CO -0.21 1.22 -0.18 -0.35 0.00 0.00 0.00 176.54 177.02 3iml s ASP 242 N -7.46 -0.37 0.18 0.19 -1.08 -0.86 -5.03 116.67 102.25 3iml s ASP 242 Ca -0.12 0.51 -0.30 0.00 -0.52 0.00 0.00 52.55 52.12 3iml s ASP 242 Cb 0.05 0.59 -0.08 0.00 -1.46 0.00 0.00 42.92 42.02 3iml s ASP 242 CO 0.91 -0.34 1.28 0.00 0.52 0.00 0.00 175.17 177.53 3iml s GLY 244 N 0.36 1.50 0.07 0.00 0.00 0.51 -4.66 107.32 105.10 3iml s GLY 244 Ca 0.56 -1.06 0.05 0.00 0.00 0.00 0.00 44.72 44.27 3iml s GLY 244 CO 0.37 -0.88 -0.14 1.08 0.00 0.00 0.00 173.10 173.53 3iml s LEU 245 N -0.92 2.28 0.37 0.66 1.02 -1.26 -1.05 118.68 119.78 3iml s LEU 245 Ca 0.12 -0.63 -0.28 0.00 0.02 0.00 0.00 54.13 53.37 3iml s LEU 245 Cb -0.10 -0.49 -0.10 0.00 0.02 0.00 0.00 46.19 45.51 3iml s LEU 245 CO 0.02 -0.09 1.35 -0.89 0.02 0.00 0.00 176.35 176.76 3iml s THR 246 N -1.34 2.50 -0.19 5.49 2.01 -0.62 -3.72 115.64 119.77 3iml s THR 246 Ca -0.02 0.49 0.00 0.00 0.31 0.00 0.00 61.69 62.47 3iml s THR 246 Cb -0.10 -3.30 0.00 0.00 0.01 0.00 0.00 72.50 69.11 3iml s THR 246 CO 0.02 0.10 0.00 0.61 -0.69 0.00 0.00 174.62 174.66 3iml n GLY 247 N 0.67 0.39 0.41 4.40 0.00 -1.26 -4.91 105.19 104.89 3iml n GLY 247 Ca 0.01 -0.88 0.04 0.00 0.00 0.00 0.00 46.02 45.19 3iml n GLY 247 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3iml n ARG 248 N -1.89 2.28 -2.41 1.61 5.12 -1.24 -4.50 116.66 115.63 3iml n ARG 248 Ca -0.02 -1.67 -0.15 0.00 -1.93 0.00 0.00 57.85 54.08 3iml n ARG 248 Cb 0.34 -1.18 0.03 0.00 -1.16 0.00 0.00 32.46 30.49 3iml n ARG 248 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 3iml n LYS 249 N 0.25 2.73 0.18 5.56 4.76 -1.26 -4.93 118.16 125.45 3iml n LYS 249 Ca 0.07 -3.90 0.04 0.00 -2.87 0.00 0.00 58.31 51.65 3iml n LYS 249 Cb 0.33 -1.96 0.33 0.00 -1.84 0.00 0.00 35.03 31.90 3iml n LYS 249 CO 0.00 0.00 0.00 -0.84 -1.37 0.00 0.00 177.40 175.19 3iml h ILE 250 N 3.52 1.08 0.13 -0.18 3.07 -1.96 0.24 117.51 123.41 3iml h ILE 250 Ca 0.14 -1.54 -0.28 0.00 1.55 0.00 0.00 64.86 64.74 3iml h ILE 250 Cb 1.35 1.88 0.01 0.00 -0.27 0.00 0.00 36.82 39.80 3iml h ILE 250 CO 0.54 0.41 -1.23 0.40 -1.05 0.00 0.00 178.15 177.22 3iml h ILE 251 N 0.00 1.43 -0.95 0.16 1.08 -1.97 -2.97 117.51 114.28 3iml h ILE 251 Ca -0.00 -2.83 0.02 0.00 -0.39 0.00 0.00 64.86 61.65 3iml h ILE 251 Cb 0.85 2.84 -0.05 0.00 -3.07 0.00 0.00 36.82 37.39 3iml h ILE 251 CO 0.05 0.84 0.63 0.58 -0.69 0.00 0.00 178.15 179.56 3iml h VAL 252 N 0.14 1.23 0.00 1.67 2.07 -1.75 -1.21 116.25 118.39 3iml h VAL 252 Ca -0.15 -0.44 -0.01 0.00 0.82 0.00 0.00 66.70 66.92 3iml h VAL 252 Cb 1.92 -0.16 -0.00 0.00 -1.52 0.00 0.00 31.29 31.53 3iml h VAL 252 CO 0.21 0.23 -0.06 0.44 0.02 0.00 0.00 177.57 178.41 3iml h ASP 253 N 1.27 0.00 0.00 0.57 3.32 -0.89 -3.42 116.42 117.28 3iml h ASP 253 Ca 0.36 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.41 3iml h ASP 253 Cb -0.12 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.43 3iml h ASP 253 CO -0.09 0.06 0.00 0.35 -1.72 0.00 0.00 179.24 177.84 3iml n THR 254 N -3.30 0.00 0.13 0.35 -2.24 -1.11 -1.22 114.28 106.90 3iml n THR 254 Ca -0.01 0.00 0.02 0.00 -2.27 0.00 0.00 64.05 61.79 3iml n THR 254 Cb 0.24 0.00 0.03 0.00 -2.10 0.00 0.00 70.33 68.49 3iml n THR 254 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 3iml n TYR 255 N 0.00 0.03 -2.13 4.78 4.01 -1.21 -4.69 117.16 117.95 3iml n TYR 255 Ca 0.00 -0.09 -0.11 0.00 -0.16 0.00 0.00 57.90 57.54 3iml n TYR 255 Cb 0.00 -0.01 -0.01 0.00 -0.31 0.00 0.00 39.34 39.01 3iml n TYR 255 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3iml n GLY 256 N 0.18 0.04 0.00 2.72 0.00 -0.47 -2.43 105.19 105.22 3iml n GLY 256 Ca 0.03 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.60 3iml n GLY 256 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3iml n GLY 257 N -1.07 0.87 0.18 -0.02 0.00 -1.26 -4.49 105.19 99.40 3iml n GLY 257 Ca -0.12 0.00 0.05 0.00 0.00 0.00 0.00 46.02 45.95 3iml n GLY 257 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iml h ALA 258 N 0.00 0.90 -3.12 4.61 0.00 -1.87 -3.44 119.26 116.34 3iml h ALA 258 Ca 0.00 -0.37 -0.31 0.00 0.00 0.00 0.00 54.91 54.23 3iml h ALA 258 Cb 0.00 -0.06 -0.20 0.00 0.00 0.00 0.00 17.79 17.52 3iml h ALA 258 CO 0.00 0.51 -0.74 0.00 0.00 0.00 0.00 179.25 179.01 3iml s ALA 259 N -3.43 0.82 0.69 0.00 0.00 -1.26 -5.14 121.76 113.44 3iml s ALA 259 Ca 0.01 -0.91 -0.14 0.00 0.00 0.00 0.00 51.96 50.92 3iml s ALA 259 Cb 0.10 0.01 0.01 0.00 0.00 0.00 0.00 23.12 23.25 3iml s ALA 259 CO 0.70 0.01 1.12 -1.25 0.00 0.00 0.00 175.76 176.34 3iml s PRO 260 N -1.90 2.64 0.10 0.00 0.04 -1.26 -4.85 135.00 129.76 3iml s PRO 260 Ca -0.05 1.39 0.09 0.00 0.04 0.00 0.00 61.00 62.47 3iml s PRO 260 Cb -0.08 -1.93 -0.04 0.00 0.04 0.00 0.00 34.50 32.49 3iml s PRO 260 CO 0.01 -1.38 -0.19 -1.58 0.04 0.00 0.00 177.00 173.89 3iml s HIS 261 N -2.39 2.51 0.01 0.56 2.46 -1.26 -4.71 115.29 112.47 3iml s HIS 261 Ca 0.67 -0.28 0.10 0.00 0.47 0.00 0.00 55.06 56.02 3iml s HIS 261 Cb -0.21 -1.36 -0.23 0.00 -0.13 0.00 0.00 32.58 30.65 3iml s HIS 261 CO 0.44 0.34 0.87 0.78 -2.47 0.00 0.00 174.74 174.70 3iml h GLY 262 N 3.96 0.02 0.00 1.59 0.00 -1.92 -3.48 103.07 103.24 3iml h GLY 262 Ca -0.49 -0.05 0.00 0.00 0.00 0.00 0.00 47.33 46.78 3iml h GLY 262 CO 0.46 0.05 0.00 0.61 0.00 0.00 0.00 176.54 177.65 3iml n GLY 263 N 1.50 1.16 3.77 4.60 0.00 -1.26 -4.55 105.19 110.41 3iml n GLY 263 Ca -0.12 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.53 3iml n GLY 263 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3iml s GLY 264 N -0.20 2.87 0.60 -0.02 0.00 -1.26 -5.07 107.32 104.24 3iml s GLY 264 Ca 0.00 0.53 -0.10 0.00 0.00 0.00 0.00 44.72 45.15 3iml s GLY 264 CO 0.00 1.00 0.99 0.00 0.00 0.00 0.00 173.10 175.09 3iml s ALA 265 N -1.50 3.15 -0.24 3.20 0.00 -1.26 -4.94 121.76 120.17 3iml s ALA 265 Ca 0.47 -0.18 -0.08 0.00 0.00 0.00 0.00 51.96 52.17 3iml s ALA 265 Cb -0.20 -2.99 -0.17 0.00 0.00 0.00 0.00 23.12 19.76 3iml s ALA 265 CO 0.26 -0.65 -0.13 1.19 0.00 0.00 0.00 175.76 176.43 3iml n PHE 266 N -2.67 0.32 -2.24 0.00 3.72 -1.26 -4.59 117.46 110.74 3iml n PHE 266 Ca 0.05 0.10 -0.41 0.00 -0.05 0.00 0.00 57.45 57.14 3iml n PHE 266 Cb 0.54 -1.04 -0.03 0.00 -0.94 0.00 0.00 39.48 38.02 3iml n PHE 266 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 3iml s SER 267 N -7.01 6.95 0.00 4.37 0.01 -1.26 -2.66 113.70 114.10 3iml s SER 267 Ca -0.34 2.52 0.00 0.00 1.31 0.00 0.00 55.95 59.44 3iml s SER 267 Cb 0.10 -2.64 0.00 0.00 0.21 0.00 0.00 66.02 63.70 3iml s SER 267 CO 0.58 -0.40 0.00 0.61 0.41 0.00 0.00 173.24 174.44 3iml n GLY 268 N 1.11 1.15 3.49 3.44 0.00 -1.26 -4.78 105.19 108.34 3iml n GLY 268 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 3iml n GLY 268 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3iml s LYS 269 N -0.54 3.71 0.95 1.61 1.02 -1.09 -0.06 119.74 125.34 3iml s LYS 269 Ca 0.00 -0.47 -0.12 0.00 0.02 0.00 0.00 55.97 55.40 3iml s LYS 269 Cb 0.00 -3.15 0.16 0.00 -0.52 0.00 0.00 37.83 34.32 3iml s LYS 269 CO 0.00 0.04 1.09 0.16 -0.92 0.00 0.00 175.35 175.72 3iml s ASP 270 N 0.96 2.91 0.14 2.83 1.47 -0.98 -4.91 116.67 119.08 3iml s ASP 270 Ca 0.02 1.50 0.16 0.00 1.18 0.00 0.00 52.55 55.41 3iml s ASP 270 Cb -0.14 -2.17 0.72 0.00 -0.34 0.00 0.00 42.92 40.99 3iml s ASP 270 CO 0.02 -2.99 1.49 -2.65 0.68 0.00 0.00 175.17 171.72 3iml n PRO 271 N -4.12 0.09 0.22 2.11 -0.02 -1.26 -1.88 135.00 130.14 3iml n PRO 271 Ca 0.06 0.43 0.16 0.00 -2.02 0.00 0.00 63.50 62.13 3iml n PRO 271 Cb 0.55 -1.70 0.66 0.00 -0.02 0.00 0.00 33.50 32.98 3iml n PRO 271 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3iml h SER 272 N 0.00 0.00 -3.18 2.55 4.64 -1.91 -3.40 113.55 112.25 3iml h SER 272 Ca 0.00 0.00 -0.59 0.00 -0.47 0.00 0.00 61.79 60.73 3iml h SER 272 Cb 0.19 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.21 3iml h SER 272 CO 0.00 0.00 0.65 -0.54 -0.87 0.00 0.00 176.83 176.07 3iml s LYS 273 N -3.58 4.22 0.51 4.77 3.01 -0.79 -4.57 119.74 123.31 3iml s LYS 273 Ca 0.02 1.17 0.29 0.00 -1.01 0.00 0.00 55.97 56.43 3iml s LYS 273 Cb 0.09 -3.64 1.30 0.00 -1.01 0.00 0.00 37.83 34.57 3iml s LYS 273 CO 0.46 -0.59 1.98 -0.39 0.51 0.00 0.00 175.35 177.32 3iml h VAL 274 N 5.45 0.37 -1.00 3.17 -1.51 -1.89 -2.10 116.25 118.73 3iml h VAL 274 Ca -0.21 -0.72 0.15 0.00 -1.23 0.00 0.00 66.70 64.70 3iml h VAL 274 Cb 1.07 1.52 -0.10 0.00 -2.13 0.00 0.00 31.29 31.66 3iml h VAL 274 CO 0.93 0.12 0.62 0.44 -1.23 0.00 0.00 177.57 178.46 3iml h ASP 275 N 0.00 0.86 0.00 4.19 3.32 -1.92 -0.27 116.42 122.60 3iml h ASP 275 Ca -0.00 0.07 0.00 0.00 0.02 0.00 0.00 57.03 57.12 3iml h ASP 275 Cb 0.52 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.97 3iml h ASP 275 CO 0.02 0.39 -0.11 -0.09 -1.72 0.00 0.00 179.24 177.72 3iml h ARG 276 N 0.88 0.00 -0.46 3.56 2.43 -1.64 -3.34 114.38 115.82 3iml h ARG 276 Ca 0.54 0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 59.64 3iml h ARG 276 Cb 0.69 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.22 3iml h ARG 276 CO -0.32 0.00 -0.00 0.66 -1.51 0.00 0.00 179.97 178.80 3iml h SER 277 N -0.67 0.72 0.59 -3.80 4.64 -1.52 -0.13 113.55 113.37 3iml h SER 277 Ca 0.00 -0.17 -0.13 0.00 -0.47 0.00 0.00 61.79 61.02 3iml h SER 277 Cb 0.11 -0.19 -0.02 0.00 -0.31 0.00 0.00 62.40 62.00 3iml h SER 277 CO 0.00 0.79 -0.62 0.00 -0.87 0.00 0.00 176.83 176.13 3iml h ALA 278 N 1.29 0.96 -0.33 5.18 0.00 -1.29 0.19 119.26 125.27 3iml h ALA 278 Ca 0.14 -0.56 -0.08 0.00 0.00 0.00 0.00 54.91 54.41 3iml h ALA 278 Cb 0.44 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 3iml h ALA 278 CO 0.02 0.77 -0.10 0.00 0.00 0.00 0.00 179.25 179.93 3iml h ALA 279 N 1.36 0.46 -0.63 0.00 0.00 -1.48 0.58 119.26 119.55 3iml h ALA 279 Ca -0.01 -0.31 -0.08 0.00 0.00 0.00 0.00 54.91 54.51 3iml h ALA 279 Cb 1.10 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 3iml h ALA 279 CO 0.08 0.32 0.07 1.88 0.00 0.00 0.00 179.25 181.60 3iml h TYR 280 N 0.43 1.14 -0.20 0.00 -1.99 -0.94 -1.70 116.97 113.72 3iml h TYR 280 Ca 0.08 -0.17 0.02 0.00 2.00 0.00 0.00 58.73 60.66 3iml h TYR 280 Cb 0.61 -0.31 -0.02 0.00 2.00 0.00 0.00 36.73 39.02 3iml h TYR 280 CO 0.05 0.98 0.08 0.00 -0.00 0.00 0.00 178.16 179.28 3iml h ALA 281 N 1.02 0.23 -0.98 3.88 0.00 -0.54 -1.90 119.26 120.97 3iml h ALA 281 Ca 0.19 0.01 0.10 0.00 0.00 0.00 0.00 54.91 55.21 3iml h ALA 281 Cb 0.48 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.18 3iml h ALA 281 CO 0.02 -0.34 0.63 0.78 0.00 0.00 0.00 179.25 180.34 3iml h GLY 282 N 0.19 1.53 1.12 0.00 0.00 -0.63 -1.00 103.07 104.27 3iml h GLY 282 Ca 0.08 -0.43 -0.10 0.00 0.00 0.00 0.00 47.33 46.88 3iml h GLY 282 CO -0.07 0.23 -0.04 -0.09 0.00 0.00 0.00 176.54 176.56 3iml h ARG 283 N 1.04 1.04 -0.51 4.80 9.65 -1.11 -2.43 114.38 126.86 3iml h ARG 283 Ca 0.46 -0.35 -0.04 0.00 -1.10 0.00 0.00 59.98 58.95 3iml h ARG 283 Cb 0.36 -0.08 -0.02 0.00 -1.39 0.00 0.00 29.97 28.84 3iml h ARG 283 CO -0.21 1.04 0.17 -0.92 2.80 0.00 0.00 179.97 182.85 3iml h TYR 284 N 0.94 0.81 -0.11 2.20 3.20 -0.40 0.50 116.97 124.11 3iml h TYR 284 Ca 0.16 -0.08 -0.07 0.00 3.14 0.00 0.00 58.73 61.88 3iml h TYR 284 Cb 0.60 -0.24 0.00 0.00 1.54 0.00 0.00 36.73 38.64 3iml h TYR 284 CO 0.04 0.69 -0.20 -0.39 -1.64 0.00 0.00 178.16 176.66 3iml h VAL 285 N 0.69 1.38 -0.23 1.81 -1.51 -1.33 -2.27 116.25 114.80 3iml h VAL 285 Ca 0.17 -1.47 0.00 0.00 -1.23 0.00 0.00 66.70 64.17 3iml h VAL 285 Cb 0.25 2.08 -0.01 0.00 -2.13 0.00 0.00 31.29 31.48 3iml h VAL 285 CO -0.01 0.42 0.15 0.00 -1.23 0.00 0.00 177.57 176.91 3iml h ALA 286 N 0.53 0.29 -0.42 5.19 0.00 -1.37 -0.10 119.26 123.37 3iml h ALA 286 Ca 0.01 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.94 3iml h ALA 286 Cb 0.78 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.44 3iml h ALA 286 CO 0.04 -0.24 0.21 -0.22 0.00 0.00 0.00 179.25 179.05 3iml h LYS 287 N 0.31 0.42 -0.01 0.00 3.64 -0.93 -2.56 116.57 117.43 3iml h LYS 287 Ca 0.08 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.44 3iml h LYS 287 Cb -0.03 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 31.69 3iml h LYS 287 CO -0.02 0.27 0.00 -0.91 -2.27 0.00 0.00 179.45 176.53 3iml h ASN 288 N 0.43 0.01 -0.84 4.20 2.35 -1.10 0.21 115.58 120.85 3iml h ASN 288 Ca 0.18 -0.13 0.21 0.00 -0.55 0.00 0.00 56.30 56.01 3iml h ASN 288 Cb 0.09 -0.00 -0.13 0.00 0.05 0.00 0.00 38.32 38.33 3iml h ASN 288 CO -0.13 0.14 0.25 0.40 -1.65 0.00 0.00 177.43 176.44 3iml h ILE 289 N -0.11 0.41 0.09 2.81 1.08 -0.90 0.71 117.51 121.60 3iml h ILE 289 Ca 0.00 -0.09 -0.25 0.00 -0.39 0.00 0.00 64.86 64.13 3iml h ILE 289 Cb 0.13 0.12 0.02 0.00 -3.07 0.00 0.00 36.82 34.03 3iml h ILE 289 CO -0.00 0.05 -1.05 0.58 -0.69 0.00 0.00 178.15 177.04 3iml h VAL 290 N 0.27 1.34 0.00 1.67 2.07 -1.38 -0.77 116.25 119.45 3iml h VAL 290 Ca 0.51 -2.37 0.00 0.00 0.82 0.00 0.00 66.70 65.66 3iml h VAL 290 Cb 0.96 2.70 0.00 0.00 -1.52 0.00 0.00 31.29 33.43 3iml h VAL 290 CO -0.58 0.71 0.00 0.00 0.02 0.00 0.00 177.57 177.72 3iml h ALA 291 N 0.28 1.00 -0.66 1.67 0.00 0.86 -2.06 119.26 120.36 3iml h ALA 291 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3iml h ALA 291 Cb 1.74 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.53 3iml h ALA 291 CO 0.20 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.45 3iml n ALA 292 N -2.04 3.01 -0.96 0.00 0.00 0.23 -4.97 120.51 115.78 3iml n ALA 292 Ca -0.00 -1.58 0.00 0.00 0.00 0.00 0.00 53.44 51.86 3iml n ALA 292 Cb 0.24 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.69 3iml n ALA 292 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3iml n GLY 293 N 1.17 0.43 0.24 0.00 0.00 -0.77 -4.90 105.19 101.35 3iml n GLY 293 Ca 0.26 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.40 3iml n GLY 293 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3iml h LEU 294 N 0.00 0.00 -7.00 0.99 4.07 -1.35 -3.46 115.31 108.55 3iml h LEU 294 Ca 0.00 0.00 0.06 0.00 0.08 0.00 0.00 57.88 58.02 3iml h LEU 294 Cb 0.23 0.00 -0.16 0.00 1.08 0.00 0.00 40.66 41.81 3iml h LEU 294 CO 0.00 0.14 0.41 0.00 -1.08 0.00 0.00 178.44 177.91 3iml s ALA 295 N -3.56 -1.79 0.18 1.53 0.00 -1.24 -5.02 121.76 111.88 3iml s ALA 295 Ca 0.02 1.01 0.05 0.00 0.00 0.00 0.00 51.96 53.04 3iml s ALA 295 Cb 0.09 0.32 0.05 0.00 0.00 0.00 0.00 23.12 23.57 3iml s ALA 295 CO 0.62 -0.62 1.42 0.77 0.00 0.00 0.00 175.76 177.95 3iml h SER 296 N 2.18 0.15 -3.11 0.00 0.02 -1.89 -3.39 113.55 107.50 3iml h SER 296 Ca -0.25 -0.12 -0.28 0.00 -0.84 0.00 0.00 61.79 60.31 3iml h SER 296 Cb 1.23 -0.05 -0.35 0.00 0.14 0.00 0.00 62.40 63.38 3iml h SER 296 CO 0.33 0.91 -0.62 -0.13 -1.14 0.00 0.00 176.83 176.19 3iml s ARG 297 N -3.23 0.06 -0.18 3.45 0.52 -1.26 -2.82 118.95 115.49 3iml s ARG 297 Ca -0.02 0.56 0.01 0.00 -0.52 0.00 0.00 55.73 55.76 3iml s ARG 297 Cb 0.11 -0.23 0.02 0.00 0.52 0.00 0.00 34.95 35.36 3iml s ARG 297 CO 0.81 -0.28 -0.20 0.00 0.02 0.00 0.00 175.30 175.65 3iml s ALA 298 N 2.14 2.33 -0.03 2.13 0.00 -0.38 -4.39 121.76 123.56 3iml s ALA 298 Ca 0.01 -1.20 0.07 0.00 0.00 0.00 0.00 51.96 50.84 3iml s ALA 298 Cb -0.12 -1.17 -0.02 0.00 0.00 0.00 0.00 23.12 21.81 3iml s ALA 298 CO -0.06 -0.31 -0.25 -1.17 0.00 0.00 0.00 175.76 173.96 3iml s LEU 299 N 1.24 2.08 -0.04 0.00 2.96 -0.94 -1.41 118.68 122.58 3iml s LEU 299 Ca 0.04 -0.47 0.01 0.00 -0.22 0.00 0.00 54.13 53.49 3iml s LEU 299 Cb -0.13 -1.36 0.02 0.00 0.50 0.00 0.00 46.19 45.21 3iml s LEU 299 CO -0.11 0.30 -0.05 -0.63 -1.32 0.00 0.00 176.35 174.53 3iml s ILE 300 N -0.47 0.56 -0.00 6.68 1.01 0.96 -1.42 121.20 128.51 3iml s ILE 300 Ca 0.06 -0.17 0.02 0.00 0.00 0.00 0.00 60.65 60.55 3iml s ILE 300 Cb -0.11 -0.56 -0.04 0.00 0.01 0.00 0.00 42.46 41.77 3iml s ILE 300 CO 0.01 0.21 -0.01 -1.58 0.00 0.00 0.00 174.94 173.57 3iml s GLN 301 N 0.65 2.75 0.18 2.79 0.74 0.37 -0.09 119.66 127.06 3iml s GLN 301 Ca -0.09 -0.62 0.03 0.00 0.05 0.00 0.00 55.36 54.73 3iml s GLN 301 Cb -0.12 -2.65 -0.05 0.00 1.10 0.00 0.00 33.01 31.30 3iml s GLN 301 CO 0.00 0.62 -0.02 0.14 -0.55 0.00 0.00 175.29 175.49 3iml s VAL 302 N -1.06 0.86 0.06 1.34 -7.23 -0.91 -0.43 120.40 113.03 3iml s VAL 302 Ca 0.19 -2.01 -0.12 0.00 -1.81 0.00 0.00 61.98 58.23 3iml s VAL 302 Cb -0.11 -2.13 0.01 0.00 0.56 0.00 0.00 36.38 34.71 3iml s VAL 302 CO 0.09 -0.49 0.27 -0.55 -0.31 0.00 0.00 175.10 174.12 3iml s SER 303 N -3.21 -0.06 -0.00 4.85 0.15 0.70 -1.84 113.70 114.30 3iml s SER 303 Ca 0.24 -0.33 -0.02 0.00 0.70 0.00 0.00 55.95 56.54 3iml s SER 303 Cb 0.05 0.35 -0.01 0.00 -1.71 0.00 0.00 66.02 64.71 3iml s SER 303 CO 0.04 -0.66 0.03 -0.31 1.20 0.00 0.00 173.24 173.55 3iml s TYR 304 N -2.97 0.08 -0.05 3.44 2.02 -0.20 -0.33 117.35 119.34 3iml s TYR 304 Ca -0.02 -0.15 -0.08 0.00 -0.37 0.00 0.00 57.07 56.45 3iml s TYR 304 Cb 0.01 -0.07 -0.04 0.00 -0.40 0.00 0.00 41.96 41.45 3iml s TYR 304 CO -0.06 -0.12 0.22 0.00 -1.57 0.00 0.00 175.55 174.02 3iml s ALA 305 N -0.71 3.85 -0.07 3.71 0.00 -1.26 -2.65 121.76 124.64 3iml s ALA 305 Ca -0.08 -0.57 -0.29 0.00 0.00 0.00 0.00 51.96 51.02 3iml s ALA 305 Cb -0.05 -2.05 -0.07 0.00 0.00 0.00 0.00 23.12 20.96 3iml s ALA 305 CO -0.00 0.62 1.90 -1.50 0.00 0.00 0.00 175.76 176.78 3iml s ILE 306 N -1.15 3.24 0.00 0.00 2.07 -1.26 -1.95 121.20 122.15 3iml s ILE 306 Ca 0.21 0.28 0.00 0.00 -1.41 0.00 0.00 60.65 59.73 3iml s ILE 306 Cb -0.13 -3.21 0.00 0.00 0.13 0.00 0.00 42.46 39.25 3iml s ILE 306 CO 0.11 -0.06 0.00 0.61 -1.91 0.00 0.00 174.94 173.69 3iml n GLY 307 N 4.70 0.82 3.16 1.50 0.00 -0.21 -4.89 105.19 110.27 3iml n GLY 307 Ca 0.21 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.96 3iml n GLY 307 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3iml s VAL 308 N -2.02 1.50 0.00 1.61 1.01 -0.82 -4.64 120.40 117.04 3iml s VAL 308 Ca 0.00 -0.77 0.00 0.00 0.00 0.00 0.00 61.98 61.21 3iml s VAL 308 Cb 0.00 -1.28 0.00 0.00 0.00 0.00 0.00 36.38 35.10 3iml s VAL 308 CO 0.00 0.43 0.00 0.00 0.00 0.00 0.00 175.10 175.53 3iml n ALA 309 N 2.99 0.00 -1.69 5.51 0.00 -1.26 -2.22 120.51 123.85 3iml n ALA 309 Ca -0.17 -0.01 -0.43 0.00 0.00 0.00 0.00 53.44 52.83 3iml n ALA 309 Cb 0.53 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.97 3iml n ALA 309 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3iml n GLU 310 N -1.91 2.08 -1.63 0.00 -0.58 -1.26 -4.47 120.64 112.88 3iml n GLU 310 Ca 0.00 0.73 -0.39 0.00 -0.42 0.00 0.00 57.16 57.08 3iml n GLU 310 Cb 0.00 -2.33 0.03 0.00 -0.57 0.00 0.00 31.44 28.57 3iml n GLU 310 CO 0.00 0.00 0.00 -2.30 -0.48 0.00 0.00 177.13 174.35 3iml n PRO 311 N 1.01 1.20 0.02 3.49 -0.02 -1.26 -4.84 135.00 134.60 3iml n PRO 311 Ca 0.07 0.44 0.14 0.00 -2.02 0.00 0.00 63.50 62.13 3iml n PRO 311 Cb 0.35 -2.17 0.54 0.00 -0.02 0.00 0.00 33.50 32.20 3iml n PRO 311 CO 0.00 0.00 0.00 -2.37 1.98 0.00 0.00 175.50 175.11 3iml n THR 312 N -1.13 0.09 -3.64 3.45 5.66 0.55 -4.77 114.28 114.50 3iml n THR 312 Ca 0.11 -0.05 -0.12 0.00 -3.05 0.00 0.00 64.05 60.94 3iml n THR 312 Cb 0.44 -0.42 -0.07 0.00 -1.55 0.00 0.00 70.33 68.72 3iml n THR 312 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 175.07 171.58 3iml s SER 313 N -3.24 -0.77 -0.01 1.09 0.01 -1.22 -4.94 113.70 104.61 3iml s SER 313 Ca 0.13 1.42 0.04 0.00 1.31 0.00 0.00 55.95 58.85 3iml s SER 313 Cb 0.18 1.41 -0.01 0.00 0.21 0.00 0.00 66.02 67.81 3iml s SER 313 CO 0.56 -0.24 -0.12 -0.69 0.41 0.00 0.00 173.24 173.16 3iml s VAL 314 N 0.66 0.95 -0.21 3.43 1.01 -1.26 -0.21 120.40 124.77 3iml s VAL 314 Ca -0.02 -0.51 -0.09 0.00 0.00 0.00 0.00 61.98 61.36 3iml s VAL 314 Cb -0.05 -0.80 0.09 0.00 0.00 0.00 0.00 36.38 35.62 3iml s VAL 314 CO -0.04 0.27 0.47 -0.32 0.00 0.00 0.00 175.10 175.49 3iml s MET 315 N -0.26 0.42 0.03 2.72 1.75 0.43 -4.98 119.30 119.40 3iml s MET 315 Ca 0.04 1.04 0.06 0.00 -1.25 0.00 0.00 55.69 55.59 3iml s MET 315 Cb -0.05 0.28 -0.02 0.00 2.84 0.00 0.00 34.83 37.88 3iml s MET 315 CO -0.00 -0.21 -0.19 0.08 -0.65 0.00 0.00 175.02 174.05 3iml s VAL 316 N 2.20 1.53 -0.01 10.11 1.01 -1.26 0.14 120.40 134.12 3iml s VAL 316 Ca -0.05 -1.06 0.03 0.00 0.00 0.00 0.00 61.98 60.90 3iml s VAL 316 Cb -0.10 -1.32 -0.01 0.00 0.00 0.00 0.00 36.38 34.95 3iml s VAL 316 CO -0.14 0.23 -0.11 0.21 0.00 0.00 0.00 175.10 175.29 3iml s ASN 317 N -0.97 1.29 -0.01 3.32 3.84 -0.51 -4.89 114.94 117.00 3iml s ASN 317 Ca 0.07 -0.20 0.19 0.00 0.21 0.00 0.00 52.86 53.13 3iml s ASN 317 Cb -0.08 -0.21 -0.24 0.00 -0.55 0.00 0.00 41.25 40.17 3iml s ASN 317 CO 0.01 0.12 0.65 0.41 -2.79 0.00 0.00 177.10 175.50 3iml n THR 318 N 2.95 0.00 -1.26 -5.21 -1.04 -1.26 -2.20 114.28 106.26 3iml n THR 318 Ca -0.15 -0.21 -0.10 0.00 -2.04 0.00 0.00 64.05 61.55 3iml n THR 318 Cb 0.56 0.63 -0.04 0.00 -1.82 0.00 0.00 70.33 69.65 3iml n THR 318 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 3iml n PHE 319 N -1.73 -0.45 0.00 -1.42 3.72 -1.26 -4.39 117.46 111.92 3iml n PHE 319 Ca 0.01 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.41 3iml n PHE 319 Cb 0.38 -2.23 0.00 0.00 -0.94 0.00 0.00 39.48 36.69 3iml n PHE 319 CO 0.00 0.00 0.00 -2.37 -0.05 0.00 0.00 176.76 174.34 3iml n THR 328 N -1.67 0.00 0.05 4.37 5.66 -1.26 -5.08 114.28 116.35 3iml n THR 328 Ca -0.10 0.00 -0.13 0.00 -3.05 0.00 0.00 64.05 60.77 3iml n THR 328 Cb 0.35 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 69.10 3iml n THR 328 CO 0.00 0.00 0.00 -0.29 -3.05 0.00 0.00 175.07 171.73 3iml h ILE 329 N 0.00 1.38 -0.42 1.09 2.10 -1.98 -1.95 117.51 117.73 3iml h ILE 329 Ca 0.00 -2.30 -0.09 0.00 1.08 0.00 0.00 64.86 63.55 3iml h ILE 329 Cb 0.00 2.29 -0.02 0.00 -1.09 0.00 0.00 36.82 38.00 3iml h ILE 329 CO 0.00 0.69 -0.09 0.74 -1.08 0.00 0.00 178.15 178.41 3iml h THR 330 N 0.28 1.25 -0.34 2.19 2.02 -2.00 0.08 112.91 116.40 3iml h THR 330 Ca -0.06 -1.11 -0.16 0.00 0.77 0.00 0.00 66.41 65.85 3iml h THR 330 Cb 1.49 1.03 -0.01 0.00 -1.74 0.00 0.00 68.15 68.92 3iml h THR 330 CO 0.15 0.38 -0.41 0.11 0.37 0.00 0.00 175.52 176.12 3iml h LYS 331 N 0.67 0.83 0.00 6.66 1.57 -2.00 -3.16 116.57 121.14 3iml h LYS 331 Ca 0.12 -0.45 -0.10 0.00 -1.87 0.00 0.00 60.65 58.35 3iml h LYS 331 Cb 0.54 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.86 3iml h LYS 331 CO 0.03 1.08 -0.49 1.25 -0.57 0.00 0.00 179.45 180.76 3iml h LEU 332 N 0.68 0.00 0.22 2.94 5.85 -0.91 -3.15 115.31 120.94 3iml h LEU 332 Ca 0.05 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.76 3iml h LEU 332 Cb 0.99 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.02 3iml h LEU 332 CO 0.09 0.49 -0.11 1.62 -0.34 0.00 0.00 178.44 180.19 3iml h VAL 333 N 0.00 0.81 0.00 1.05 3.04 -1.04 -2.61 116.25 117.50 3iml h VAL 333 Ca -0.00 -0.86 0.00 0.00 -1.01 0.00 0.00 66.70 64.83 3iml h VAL 333 Cb 0.92 1.25 0.00 0.00 -2.01 0.00 0.00 31.29 31.45 3iml h VAL 333 CO 0.06 0.17 0.00 -2.11 -1.01 0.00 0.00 177.57 174.68 3iml n ARG 334 N -5.02 0.08 -0.09 4.17 1.85 -1.20 -1.41 116.66 115.04 3iml n ARG 334 Ca -0.09 0.25 -0.22 0.00 -1.00 0.00 0.00 57.85 56.80 3iml n ARG 334 Cb 0.26 -1.50 -0.12 0.00 -1.05 0.00 0.00 32.46 30.05 3iml n ARG 334 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 3iml n GLU 335 N -1.32 0.66 0.00 2.89 -0.58 -1.19 -4.62 120.64 116.47 3iml n GLU 335 Ca 0.03 0.25 0.13 0.00 -0.42 0.00 0.00 57.16 57.15 3iml n GLU 335 Cb 0.06 -1.59 0.43 0.00 -0.57 0.00 0.00 31.44 29.76 3iml n GLU 335 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 3iml n HIS 336 N -3.66 0.00 -4.30 -0.32 8.25 -0.50 -4.85 115.22 109.84 3iml n HIS 336 Ca -0.42 0.00 -0.19 0.00 -0.26 0.00 0.00 57.72 56.85 3iml n HIS 336 Cb 0.95 -0.31 -0.15 0.00 1.12 0.00 0.00 29.99 31.60 3iml n HIS 336 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 3iml s PHE 337 N -2.88 0.80 -0.34 4.41 0.08 -0.61 -5.08 117.98 114.35 3iml s PHE 337 Ca 0.16 -0.19 -0.25 0.00 0.12 0.00 0.00 56.93 56.77 3iml s PHE 337 Cb 0.18 -0.58 0.01 0.00 -0.57 0.00 0.00 43.02 42.07 3iml s PHE 337 CO 0.60 -0.08 0.90 0.34 -0.10 0.00 0.00 175.22 176.87 3iml s ASP 338 N 0.19 6.71 0.00 1.36 -1.08 -1.26 -4.69 116.67 117.89 3iml s ASP 338 Ca -0.03 0.67 0.13 0.00 -0.52 0.00 0.00 52.55 52.80 3iml s ASP 338 Cb -0.08 -2.45 -0.11 0.00 -1.46 0.00 0.00 42.92 38.82 3iml s ASP 338 CO 0.00 -0.77 0.61 0.18 0.52 0.00 0.00 175.17 175.70 3iml n LEU 339 N 6.58 0.83 -4.77 -1.34 4.32 -1.26 -3.58 117.00 117.78 3iml n LEU 339 Ca 0.07 -0.57 -0.38 0.00 -0.02 0.00 0.00 56.01 55.11 3iml n LEU 339 Cb 0.48 0.00 -0.02 0.00 -1.62 0.00 0.00 43.42 42.26 3iml n LEU 339 CO 0.55 0.19 0.83 0.00 -1.22 0.00 0.00 177.39 177.74 3iml s ARG 340 N -2.09 3.96 0.17 3.23 1.70 -1.26 -4.73 118.95 119.93 3iml s ARG 340 Ca 0.07 1.80 -0.29 0.00 -0.47 0.00 0.00 55.73 56.84 3iml s ARG 340 Cb 0.10 -2.58 -0.02 0.00 -0.57 0.00 0.00 34.95 31.88 3iml s ARG 340 CO 0.49 -0.39 1.54 -1.35 -1.08 0.00 0.00 175.30 174.51 3iml h PRO 341 N 2.42 -0.04 0.00 3.89 0.11 -1.82 0.72 132.00 137.28 3iml h PRO 341 Ca -0.49 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.60 3iml h PRO 341 Cb 1.24 0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.35 3iml h PRO 341 CO 0.62 -0.03 -0.12 0.87 -0.21 0.00 0.00 178.00 179.13 3iml h LYS 342 N -0.04 0.00 -0.46 1.05 1.57 -1.85 -1.91 116.57 114.93 3iml h LYS 342 Ca 0.18 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.94 3iml h LYS 342 Cb 0.46 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.75 3iml h LYS 342 CO -0.91 0.12 0.20 0.78 -0.57 0.00 0.00 179.45 179.07 3iml h GLY 343 N 1.89 0.74 0.87 3.86 0.00 0.10 -2.92 103.07 107.60 3iml h GLY 343 Ca -0.00 -0.39 0.03 0.00 0.00 0.00 0.00 47.33 46.97 3iml h GLY 343 CO 0.02 0.37 0.49 -2.22 0.00 0.00 0.00 176.54 175.19 3iml h ILE 344 N 0.61 1.11 -0.18 2.60 1.08 -0.01 -2.91 117.51 119.81 3iml h ILE 344 Ca 0.16 -0.33 -0.01 0.00 -0.39 0.00 0.00 64.86 64.29 3iml h ILE 344 Cb 0.17 0.08 -0.01 0.00 -3.07 0.00 0.00 36.82 33.99 3iml h ILE 344 CO -0.01 0.17 0.07 0.40 -0.69 0.00 0.00 178.15 178.09 3iml h ILE 345 N 0.95 1.16 -0.02 -0.67 2.04 -1.29 -1.82 117.51 117.86 3iml h ILE 345 Ca 0.31 -0.49 -0.11 0.00 1.00 0.00 0.00 64.86 65.57 3iml h ILE 345 Cb 0.02 1.15 -0.01 0.00 -0.74 0.00 0.00 36.82 37.24 3iml h ILE 345 CO -0.11 0.16 -0.51 1.56 0.00 0.00 0.00 178.15 179.24 3iml h GLN 346 N 0.14 0.05 -0.47 2.37 1.08 -1.57 0.33 115.11 117.05 3iml h GLN 346 Ca 0.06 -0.03 -0.12 0.00 -1.45 0.00 0.00 58.65 57.11 3iml h GLN 346 Cb 0.18 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.60 3iml h GLN 346 CO -0.00 0.56 -0.18 1.98 -0.95 0.00 0.00 178.83 180.23 3iml h MET 347 N 0.04 0.92 -0.15 1.46 4.05 -1.26 -3.20 114.93 116.79 3iml h MET 347 Ca -0.00 -0.37 0.00 0.00 -0.28 0.00 0.00 59.70 59.05 3iml h MET 347 Cb 0.92 -0.05 0.00 0.00 -0.80 0.00 0.00 31.60 31.68 3iml h MET 347 CO 0.07 1.02 0.00 1.28 0.23 0.00 0.00 176.91 179.51 3iml n LEU 348 N -4.12 2.62 -3.70 3.39 4.77 -0.72 -5.01 117.00 114.24 3iml n LEU 348 Ca 0.01 -1.27 -0.29 0.00 -0.03 0.00 0.00 56.01 54.43 3iml n LEU 348 Cb 0.43 -0.09 0.04 0.00 -2.33 0.00 0.00 43.42 41.47 3iml n LEU 348 CO 0.45 0.53 -0.09 -0.67 -1.33 0.00 0.00 177.39 176.29 3iml n ASP 349 N 0.93 -4.25 -0.04 -1.43 2.03 0.11 -4.70 116.55 109.20 3iml n ASP 349 Ca 0.11 -0.98 0.13 0.00 0.52 0.00 0.00 54.79 54.58 3iml n ASP 349 Cb 0.43 -3.51 0.51 0.00 -0.72 0.00 0.00 41.12 37.84 3iml n ASP 349 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 3iml n LEU 350 N -4.17 0.29 -3.56 -2.67 4.77 -0.91 -4.45 117.00 106.31 3iml n LEU 350 Ca -0.14 0.20 -0.41 0.00 -0.03 0.00 0.00 56.01 55.63 3iml n LEU 350 Cb 0.62 -0.32 -0.01 0.00 -2.33 0.00 0.00 43.42 41.37 3iml n LEU 350 CO 0.68 0.06 2.56 0.18 -1.33 0.00 0.00 177.39 179.55 3iml n LEU 351 N -1.32 7.77 -3.87 2.23 4.77 -1.26 -4.82 117.00 120.49 3iml n LEU 351 Ca 0.09 -4.63 -0.11 0.00 -0.03 0.00 0.00 56.01 51.33 3iml n LEU 351 Cb 0.32 -1.47 -0.10 0.00 -2.33 0.00 0.00 43.42 39.84 3iml n LEU 351 CO 0.28 1.80 -0.18 -0.13 -1.33 0.00 0.00 177.39 177.83 3iml s ARG 352 N 0.44 0.46 -1.31 3.23 0.52 -1.26 -4.93 118.95 116.09 3iml s ARG 352 Ca 0.53 -0.37 -0.17 0.00 -0.52 0.00 0.00 55.73 55.20 3iml s ARG 352 Cb 0.16 0.19 0.04 0.00 0.52 0.00 0.00 34.95 35.86 3iml s ARG 352 CO -0.06 -0.11 1.88 -0.35 0.02 0.00 0.00 175.30 176.69 3iml n PRO 353 N 1.56 2.93 0.00 3.54 -0.04 -1.26 -4.51 135.00 137.23 3iml n PRO 353 Ca -0.22 -3.00 0.00 0.00 -0.04 0.00 0.00 63.50 60.24 3iml n PRO 353 Cb 0.56 -3.45 0.00 0.00 -0.04 0.00 0.00 33.50 30.57 3iml n PRO 353 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 3iml n ILE 354 N 6.17 0.77 0.03 0.52 -5.35 -1.26 -4.86 119.36 115.38 3iml n ILE 354 Ca 0.49 -0.87 -0.01 0.00 -0.27 0.00 0.00 62.75 62.10 3iml n ILE 354 Cb 0.44 0.62 -0.08 0.00 -1.74 0.00 0.00 39.64 38.88 3iml n ILE 354 CO 0.00 0.00 0.00 1.88 -1.76 0.00 0.00 176.55 176.67 3iml h TYR 355 N 0.00 0.00 -0.91 4.28 0.05 -1.85 -3.32 116.97 115.22 3iml h TYR 355 Ca 0.00 0.00 0.08 0.00 0.05 0.00 0.00 58.73 58.86 3iml h TYR 355 Cb 0.42 0.00 -0.06 0.00 1.01 0.00 0.00 36.73 38.10 3iml h TYR 355 CO 0.00 0.62 0.59 1.49 -1.05 0.00 0.00 178.16 179.81 3iml h GLU 356 N 0.00 0.95 -0.03 4.88 4.81 -1.89 -1.30 114.58 122.00 3iml h GLU 356 Ca -0.16 -0.06 -0.06 0.00 -0.13 0.00 0.00 59.36 58.95 3iml h GLU 356 Cb 1.62 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 30.78 3iml h GLU 356 CO 0.05 0.63 -0.24 -0.22 -0.73 0.00 0.00 179.01 178.50 3iml h LYS 357 N 0.98 0.05 0.00 1.92 3.64 -1.94 -2.07 116.57 119.15 3iml h LYS 357 Ca 0.40 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.77 3iml h LYS 357 Cb 0.28 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.10 3iml h LYS 357 CO -0.16 0.29 0.00 1.79 -2.27 0.00 0.00 179.45 179.10 3iml h THR 358 N 0.04 0.00 -0.01 1.00 1.35 -1.37 -3.33 112.91 110.60 3iml h THR 358 Ca 0.01 -0.40 0.00 0.00 -0.55 0.00 0.00 66.41 65.47 3iml h THR 358 Cb 0.46 1.26 0.00 0.00 -1.73 0.00 0.00 68.15 68.14 3iml h THR 358 CO 0.03 0.00 -0.01 0.00 -0.25 0.00 0.00 175.52 175.30 3iml n ALA 359 N -1.90 2.65 -2.86 6.62 0.00 -0.78 -4.03 120.51 120.21 3iml n ALA 359 Ca 0.02 -0.30 -0.13 0.00 0.00 0.00 0.00 53.44 53.03 3iml n ALA 359 Cb 0.29 -1.36 -0.13 0.00 0.00 0.00 0.00 19.45 18.25 3iml n ALA 359 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3iml s ALA 360 N -2.03 0.20 0.00 0.00 0.00 -1.25 -4.55 121.76 114.14 3iml s ALA 360 Ca 0.43 -0.26 0.00 0.00 0.00 0.00 0.00 51.96 52.13 3iml s ALA 360 Cb 0.21 0.00 0.00 0.00 0.00 0.00 0.00 23.12 23.34 3iml s ALA 360 CO 0.36 -0.00 0.00 0.66 0.00 0.00 0.00 175.76 176.78 3iml n TYR 361 N 2.58 0.00 0.00 0.00 4.01 -1.26 -4.86 117.16 117.62 3iml n TYR 361 Ca -0.16 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.58 3iml n TYR 361 Cb 0.58 -0.49 0.00 0.00 -0.31 0.00 0.00 39.34 39.12 3iml n TYR 361 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3iml n GLY 362 N -2.99 0.41 0.15 2.72 0.00 -1.26 -4.86 105.19 99.37 3iml n GLY 362 Ca 0.00 -1.39 0.13 0.00 0.00 0.00 0.00 46.02 44.76 3iml n GLY 362 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 3iml h HIS 363 N 0.00 0.00 -4.05 1.61 3.86 -1.30 -3.45 115.15 111.82 3iml h HIS 363 Ca 0.00 0.00 -0.61 0.00 -1.16 0.00 0.00 60.37 58.60 3iml h HIS 363 Cb 0.00 0.00 -0.31 0.00 1.06 0.00 0.00 27.41 28.16 3iml h HIS 363 CO 0.00 0.00 -0.86 -0.06 0.86 0.00 0.00 177.93 177.87 3iml s PHE 364 N -3.16 1.96 0.00 2.45 0.08 -1.26 -4.80 117.98 113.25 3iml s PHE 364 Ca 0.09 -0.53 0.00 0.00 0.12 0.00 0.00 56.93 56.61 3iml s PHE 364 Cb 0.10 -1.29 0.00 0.00 -0.57 0.00 0.00 43.02 41.25 3iml s PHE 364 CO 0.61 -0.15 0.00 0.41 -0.10 0.00 0.00 175.22 175.98 3iml n GLY 365 N 2.97 0.94 3.27 4.36 0.00 -1.26 -5.01 105.19 110.45 3iml n GLY 365 Ca -0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.51 3iml n GLY 365 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3iml s ARG 366 N -0.77 3.28 -0.85 1.61 0.52 -1.26 -4.92 118.95 116.57 3iml s ARG 366 Ca 0.00 -0.69 -0.03 0.00 -0.52 0.00 0.00 55.73 54.50 3iml s ARG 366 Cb 0.00 -2.84 0.22 0.00 0.52 0.00 0.00 34.95 32.85 3iml s ARG 366 CO 0.00 -0.14 2.26 0.39 0.02 0.00 0.00 175.30 177.83 3iml n GLU 367 N 4.58 3.49 -2.91 3.54 1.02 -1.26 -4.88 120.64 124.22 3iml n GLU 367 Ca -0.19 -3.40 -0.33 0.00 -0.02 0.00 0.00 57.16 53.22 3iml n GLU 367 Cb 0.51 -2.33 -0.07 0.00 -0.02 0.00 0.00 31.44 29.53 3iml n GLU 367 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 3iml s GLU 368 N -2.99 4.18 0.32 3.49 0.41 -1.26 -4.97 118.70 117.89 3iml s GLU 368 Ca 0.52 1.00 -0.00 0.00 -0.41 0.00 0.00 54.97 56.08 3iml s GLU 368 Cb 0.33 -2.27 0.53 0.00 -1.78 0.00 0.00 34.13 30.94 3iml s GLU 368 CO -0.25 0.03 1.98 -1.35 -0.49 0.00 0.00 175.26 175.18 3iml h PRO 369 N 2.06 0.96 -0.36 0.39 0.11 -2.04 -1.58 132.00 131.55 3iml h PRO 369 Ca -0.49 -0.06 0.06 0.00 0.11 0.00 0.00 66.00 65.62 3iml h PRO 369 Cb 1.18 -0.22 -0.02 0.00 0.11 0.00 0.00 31.00 32.06 3iml h PRO 369 CO 0.62 0.65 0.24 0.93 -0.21 0.00 0.00 178.00 180.23 3iml h GLU 370 N 0.99 0.23 -5.10 1.05 3.07 -1.98 -3.37 114.58 109.47 3iml h GLU 370 Ca 0.27 -0.01 -0.72 0.00 -0.50 0.00 0.00 59.36 58.39 3iml h GLU 370 Cb -0.10 -0.05 -0.15 0.00 -0.84 0.00 0.00 28.75 27.61 3iml h GLU 370 CO -0.06 0.15 1.59 -0.06 -1.40 0.00 0.00 179.01 179.24 3iml s PHE 371 N -5.24 3.27 0.63 4.33 0.08 -0.59 -4.80 117.98 115.65 3iml s PHE 371 Ca -0.06 -1.95 0.37 0.00 0.12 0.00 0.00 56.93 55.40 3iml s PHE 371 Cb 0.18 -4.45 2.12 0.00 -0.57 0.00 0.00 43.02 40.31 3iml s PHE 371 CO 0.72 -1.53 2.31 0.66 -0.10 0.00 0.00 175.22 177.29 3iml h SER 372 N 7.35 0.00 0.60 1.36 4.64 -1.83 -1.54 113.55 124.14 3iml h SER 372 Ca 0.35 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.67 3iml h SER 372 Cb 0.88 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.97 3iml h SER 372 CO 1.31 0.00 0.00 -2.67 -0.87 0.00 0.00 176.83 174.60 3iml n TRP 373 N -3.48 0.00 0.97 4.77 2.14 -1.26 -2.56 117.44 118.02 3iml n TRP 373 Ca -0.03 0.00 0.11 0.00 2.07 0.00 0.00 57.50 59.65 3iml n TRP 373 Cb 0.08 -0.36 0.08 0.00 -0.81 0.00 0.00 31.31 30.29 3iml n TRP 373 CO 0.00 0.00 0.00 0.39 2.07 0.00 0.00 177.69 180.15 3iml n GLU 374 N -1.36 2.04 -2.69 -2.67 -0.58 -0.58 -3.68 120.64 111.12 3iml n GLU 374 Ca 0.10 -1.71 -0.42 0.00 -0.42 0.00 0.00 57.16 54.71 3iml n GLU 374 Cb 0.23 -1.45 -0.03 0.00 -0.57 0.00 0.00 31.44 29.62 3iml n GLU 374 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3iml s ALA 375 N -2.02 3.20 -1.04 0.62 0.00 -1.06 -4.97 121.76 116.50 3iml s ALA 375 Ca 0.25 0.58 -0.04 0.00 0.00 0.00 0.00 51.96 52.75 3iml s ALA 375 Cb 0.19 -3.33 0.18 0.00 0.00 0.00 0.00 23.12 20.15 3iml s ALA 375 CO 0.34 -0.19 2.30 0.00 0.00 0.00 0.00 175.76 178.21 3iml n ALA 376 N 3.56 6.54 -0.24 0.00 0.00 -1.26 -4.62 120.51 124.49 3iml n ALA 376 Ca 0.05 -4.01 0.11 0.00 0.00 0.00 0.00 53.44 49.59 3iml n ALA 376 Cb 0.50 -2.44 0.31 0.00 0.00 0.00 0.00 19.45 17.82 3iml n ALA 376 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3iml n ASP 377 N 0.93 3.82 0.00 0.00 5.68 -1.26 -5.09 116.55 120.63 3iml n ASP 377 Ca 0.55 -2.06 0.00 0.00 -0.50 0.00 0.00 54.79 52.79 3iml n ASP 377 Cb 0.31 -0.48 0.00 0.00 -1.14 0.00 0.00 41.12 39.81 3iml n ASP 377 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16