#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iml s LEU 6 N 0.00 3.17 -0.01 -3.48 1.43 -1.26 -0.00 118.68 118.52 3iml s LEU 6 Ca 0.00 -0.22 0.07 0.00 -1.03 0.00 0.00 54.13 52.95 3iml s LEU 6 Cb 0.00 -1.79 -0.02 0.00 0.03 0.00 0.00 46.19 44.41 3iml s LEU 6 CO 0.00 0.08 -0.22 0.12 0.23 0.00 0.00 176.35 176.56 3iml s PHE 7 N 0.87 2.00 -0.04 0.29 5.36 -0.20 -4.94 117.98 121.32 3iml s PHE 7 Ca -0.00 -0.38 0.04 0.00 -0.96 0.00 0.00 56.93 55.63 3iml s PHE 7 Cb -0.14 -1.28 -0.00 0.00 -0.34 0.00 0.00 43.02 41.25 3iml s PHE 7 CO 0.02 -0.02 -0.17 0.99 -1.46 0.00 0.00 175.22 174.58 3iml s THR 8 N -0.56 1.39 0.35 0.12 2.01 -1.26 0.20 115.64 117.89 3iml s THR 8 Ca 0.09 -0.70 0.04 0.00 0.31 0.00 0.00 61.69 61.43 3iml s THR 8 Cb -0.09 -1.19 -0.06 0.00 0.01 0.00 0.00 72.50 71.17 3iml s THR 8 CO -0.01 0.40 0.05 -0.44 -0.69 0.00 0.00 174.62 173.94 3iml s SER 9 N -0.00 2.66 0.04 3.53 0.01 -0.73 -4.89 113.70 114.30 3iml s SER 9 Ca -0.03 -1.41 -0.04 0.00 1.31 0.00 0.00 55.95 55.79 3iml s SER 9 Cb -0.11 -0.07 -0.02 0.00 0.21 0.00 0.00 66.02 66.03 3iml s SER 9 CO 0.02 -0.61 0.05 -1.83 0.41 0.00 0.00 173.24 171.27 3iml s GLU 10 N -3.85 0.55 0.23 12.44 -1.05 -1.26 -1.48 118.70 124.27 3iml s GLU 10 Ca 0.35 -0.83 -0.04 0.00 -0.15 0.00 0.00 54.97 54.30 3iml s GLU 10 Cb 0.08 0.21 -0.03 0.00 -0.44 0.00 0.00 34.13 33.95 3iml s GLU 10 CO 0.15 -0.12 0.25 0.45 0.95 0.00 0.00 175.26 176.94 3iml s SER 11 N -2.18 0.20 0.08 0.83 0.15 -0.61 -4.65 113.70 107.50 3iml s SER 11 Ca -0.04 -1.29 0.02 0.00 0.70 0.00 0.00 55.95 55.34 3iml s SER 11 Cb -0.01 0.46 -0.04 0.00 -1.71 0.00 0.00 66.02 64.73 3iml s SER 11 CO -0.05 -0.96 -0.07 0.68 1.20 0.00 0.00 173.24 174.05 3iml s VAL 12 N -4.03 0.60 0.88 4.45 -7.23 -1.26 -1.31 120.40 112.50 3iml s VAL 12 Ca 0.34 -1.64 -0.12 0.00 -1.81 0.00 0.00 61.98 58.75 3iml s VAL 12 Cb 0.04 -1.30 0.12 0.00 0.56 0.00 0.00 36.38 35.80 3iml s VAL 12 CO 0.12 -0.72 1.16 -0.94 -0.31 0.00 0.00 175.10 174.41 3iml s SER 13 N -2.54 3.81 0.21 4.85 1.04 0.01 -4.53 113.70 116.55 3iml s SER 13 Ca 0.04 0.87 0.13 0.00 0.48 0.00 0.00 55.95 57.47 3iml s SER 13 Cb 0.00 -1.39 0.72 0.00 0.10 0.00 0.00 66.02 65.45 3iml s SER 13 CO -0.03 -2.35 1.38 -1.84 0.98 0.00 0.00 173.24 171.38 3iml n GLU 14 N -3.62 0.09 0.00 4.02 0.28 -1.26 -2.26 120.64 117.89 3iml n GLU 14 Ca 0.07 0.57 0.12 0.00 -0.16 0.00 0.00 57.16 57.76 3iml n GLU 14 Cb 0.60 -1.82 0.16 0.00 1.43 0.00 0.00 31.44 31.81 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 -1.36 -1.18 3.75 -1.84 0.00 -1.24 -4.06 105.19 99.28 3iml n GLY 15 Ca -0.01 -0.41 -0.41 0.00 0.00 0.00 0.00 46.02 45.19 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 -2.99 2.84 0.31 1.61 5.04 -0.96 -4.03 115.29 117.11 3iml s HIS 16 Ca 0.11 0.97 0.06 0.00 -1.54 0.00 0.00 55.06 54.65 3iml s HIS 16 Cb 0.17 -3.95 0.73 0.00 0.04 0.00 0.00 32.58 29.57 3iml s HIS 16 CO 0.74 -3.06 1.80 -1.35 -2.34 0.00 0.00 174.74 170.52 3iml h PRO 17 N 4.52 0.77 -0.66 2.88 0.11 -1.85 0.97 132.00 138.74 3iml h PRO 17 Ca -0.47 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 65.57 3iml h PRO 17 Cb 1.22 -0.17 -0.03 0.00 0.11 0.00 0.00 31.00 32.13 3iml h PRO 17 CO 0.75 0.51 0.32 -0.44 -0.21 0.00 0.00 178.00 178.93 3iml h ASP 18 N 0.79 0.87 0.73 -2.05 3.32 -1.84 -2.34 116.42 115.90 3iml h ASP 18 Ca 0.54 -0.13 -0.09 0.00 0.02 0.00 0.00 57.03 57.38 3iml h ASP 18 Cb 0.82 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 40.13 3iml h ASP 18 CO -0.33 0.76 -0.41 0.11 -1.72 0.00 0.00 179.24 177.64 3iml h LYS 19 N 0.91 0.00 -0.53 3.56 1.79 -1.24 -1.72 116.57 119.35 3iml h LYS 19 Ca 0.23 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.69 3iml h LYS 19 Cb 0.12 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 30.74 3iml h LYS 19 CO -0.03 0.41 0.31 0.28 -1.08 0.00 0.00 179.45 179.34 3iml h VAL 20 N 0.00 1.17 -0.43 0.50 2.07 -0.61 0.69 116.25 119.63 3iml h VAL 20 Ca -0.00 -0.40 -0.02 0.00 0.82 0.00 0.00 66.70 67.09 3iml h VAL 20 Cb 0.89 0.47 -0.02 0.00 -1.52 0.00 0.00 31.29 31.12 3iml h VAL 20 CO 0.05 0.18 0.18 0.00 0.02 0.00 0.00 177.57 178.00 3iml h ALA 21 N 1.14 0.56 -0.17 1.67 0.00 -1.01 -0.27 119.26 121.18 3iml h ALA 21 Ca 0.19 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 3iml h ALA 21 Cb 0.01 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 3iml h ALA 21 CO -0.03 0.16 0.10 -0.44 0.00 0.00 0.00 179.25 179.03 3iml h ASP 22 N 0.56 0.21 -0.48 0.00 3.32 -1.09 -0.61 116.42 118.33 3iml h ASP 22 Ca 0.15 -0.06 -0.10 0.00 0.02 0.00 0.00 57.03 57.04 3iml h ASP 22 Cb 0.17 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 39.65 3iml h ASP 22 CO -0.01 0.21 -0.06 1.56 -1.72 0.00 0.00 179.24 179.22 3iml h GLN 23 N 0.19 0.93 -0.09 3.56 4.20 -0.70 -0.82 115.11 122.38 3iml h GLN 23 Ca 0.06 -0.30 0.00 0.00 0.06 0.00 0.00 58.65 58.47 3iml h GLN 23 Cb 0.04 -0.08 -0.00 0.00 0.30 0.00 0.00 27.48 27.74 3iml h GLN 23 CO -0.01 0.95 0.06 0.82 -0.67 0.00 0.00 178.83 179.98 3iml h ILE 24 N 0.84 1.03 -0.93 2.54 2.04 -0.92 0.47 117.51 122.59 3iml h ILE 24 Ca 0.15 -0.06 0.14 0.00 1.00 0.00 0.00 64.86 66.08 3iml h ILE 24 Cb 0.58 0.90 -0.09 0.00 -0.74 0.00 0.00 36.82 37.47 3iml h ILE 24 CO 0.03 0.03 0.54 0.28 0.00 0.00 0.00 178.15 179.03 3iml h SER 25 N 0.12 0.74 0.93 1.72 0.02 -0.68 -1.25 113.55 115.15 3iml h SER 25 Ca 0.03 0.07 -0.16 0.00 -0.84 0.00 0.00 61.79 60.89 3iml h SER 25 Cb -0.01 -0.07 -0.03 0.00 0.14 0.00 0.00 62.40 62.44 3iml h SER 25 CO -0.01 0.36 -1.15 0.44 -1.14 0.00 0.00 176.83 175.33 3iml h ASP 26 N 0.81 0.00 -0.51 3.07 3.32 -0.80 -2.65 116.42 119.65 3iml h ASP 26 Ca 0.48 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.51 3iml h ASP 26 Cb 0.59 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.11 3iml h ASP 26 CO -0.31 0.60 0.24 0.00 -1.72 0.00 0.00 179.24 178.05 3iml h ALA 27 N 1.40 0.66 -0.43 3.45 0.00 0.43 -0.44 119.26 124.34 3iml h ALA 27 Ca -0.11 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 3iml h ALA 27 Cb 1.56 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 19.13 3iml h ALA 27 CO 0.06 0.23 0.23 0.82 0.00 0.00 0.00 179.25 180.59 3iml h ILE 28 N 0.68 1.16 0.06 0.00 2.04 -1.30 -1.46 117.51 118.69 3iml h ILE 28 Ca 0.18 -0.41 0.02 0.00 1.00 0.00 0.00 64.86 65.64 3iml h ILE 28 Cb 0.13 0.66 -0.03 0.00 -0.74 0.00 0.00 36.82 36.84 3iml h ILE 28 CO -0.02 0.17 -0.17 0.25 0.00 0.00 0.00 178.15 178.37 3iml h LEU 29 N 0.55 -0.49 -1.03 1.44 5.85 -1.09 -1.50 115.31 119.04 3iml h LEU 29 Ca 0.15 0.06 0.07 0.00 0.84 0.00 0.00 57.88 59.01 3iml h LEU 29 Cb 0.06 0.19 -0.07 0.00 0.37 0.00 0.00 40.66 41.22 3iml h LEU 29 CO -0.02 -0.24 0.64 0.44 -0.34 0.00 0.00 178.44 178.91 3iml h ASP 30 N -0.31 1.00 -0.46 1.25 3.32 -0.99 0.20 116.42 120.42 3iml h ASP 30 Ca 0.04 0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.08 3iml h ASP 30 Cb 0.35 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.69 3iml h ASP 30 CO -0.12 0.62 0.21 0.00 -1.72 0.00 0.00 179.24 178.23 3iml h ALA 31 N 1.48 0.60 -0.31 3.45 0.00 -0.94 0.52 119.26 124.05 3iml h ALA 31 Ca 0.44 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.21 3iml h ALA 31 Cb 0.23 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3iml h ALA 31 CO -0.18 0.17 0.15 0.82 0.00 0.00 0.00 179.25 180.21 3iml h ILE 32 N 0.60 1.16 0.00 0.00 2.04 -0.63 -3.06 117.51 117.63 3iml h ILE 32 Ca 0.16 -0.45 -0.07 0.00 1.00 0.00 0.00 64.86 65.50 3iml h ILE 32 Cb 0.14 0.88 -0.01 0.00 -0.74 0.00 0.00 36.82 37.08 3iml h ILE 32 CO -0.02 0.16 -0.35 -0.07 0.00 0.00 0.00 178.15 177.87 3iml h LEU 33 N 0.37 0.00 -1.73 1.44 3.38 -0.33 0.20 115.31 118.64 3iml h LEU 33 Ca 0.11 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 3iml h LEU 33 Cb 0.12 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 3iml h LEU 33 CO -0.01 0.35 -0.04 0.00 0.09 0.00 0.00 178.44 178.83 3iml h ALA 34 N 1.65 1.78 0.02 1.53 0.00 -0.79 -3.13 119.26 120.32 3iml h ALA 34 Ca -0.00 -0.09 -0.39 0.00 0.00 0.00 0.00 54.91 54.43 3iml h ALA 34 Cb 0.66 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.34 3iml h ALA 34 CO 0.05 0.17 -2.33 1.04 0.00 0.00 0.00 179.25 178.18 3iml n GLN 35 N -4.42 0.65 -3.54 0.00 6.02 -0.80 -4.86 117.38 110.43 3iml n GLN 35 Ca -0.02 0.22 -0.29 0.00 -0.01 0.00 0.00 57.00 56.90 3iml n GLN 35 Cb 0.16 -1.56 -0.13 0.00 1.02 0.00 0.00 30.24 29.73 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 -6.84 3.31 0.24 1.08 2.15 -0.01 -4.89 116.67 111.71 3iml s ASP 36 Ca -0.33 -1.91 0.23 0.00 0.43 0.00 0.00 52.55 50.96 3iml s ASP 36 Cb 0.10 -0.49 0.96 0.00 -0.30 0.00 0.00 42.92 43.18 3iml s ASP 36 CO 0.61 -0.35 1.69 2.29 -0.17 0.00 0.00 175.17 179.23 3iml n LYS 37 N 4.43 0.18 0.00 4.34 2.85 -1.18 -2.02 118.16 126.76 3iml n LYS 37 Ca 0.05 0.42 0.14 0.00 -1.05 0.00 0.00 58.31 57.87 3iml n LYS 37 Cb 0.39 -1.85 0.47 0.00 -0.65 0.00 0.00 35.03 33.39 3iml n LYS 37 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 3iml n TYR 38 N -2.18 0.00 -1.58 5.58 4.01 -1.26 -4.88 117.16 116.85 3iml n TYR 38 Ca 0.02 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.35 3iml n TYR 38 Cb 0.21 -0.03 0.02 0.00 -0.31 0.00 0.00 39.34 39.23 3iml n TYR 38 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 3iml n SER 39 N 0.01 0.73 -4.70 7.72 7.64 -0.85 -4.99 113.62 119.17 3iml n SER 39 Ca 0.17 0.96 -0.38 0.00 1.01 0.00 0.00 58.87 60.63 3iml n SER 39 Cb 0.36 -1.31 -0.07 0.00 -1.01 0.00 0.00 64.21 62.18 3iml n SER 39 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 3iml s ARG 40 N -2.08 4.24 -0.04 1.43 1.81 -0.18 -4.88 118.95 119.26 3iml s ARG 40 Ca 0.66 0.24 -0.00 0.00 -1.72 0.00 0.00 55.73 54.90 3iml s ARG 40 Cb -0.53 -3.48 0.03 0.00 -0.45 0.00 0.00 34.95 30.52 3iml s ARG 40 CO 0.55 0.09 0.01 0.08 -0.68 0.00 0.00 175.30 175.35 3iml s VAL 41 N 0.89 0.15 -0.52 3.52 1.01 -1.26 0.17 120.40 124.35 3iml s VAL 41 Ca 0.20 0.15 0.06 0.00 0.00 0.00 0.00 61.98 62.39 3iml s VAL 41 Cb -0.14 -0.28 0.23 0.00 0.00 0.00 0.00 36.38 36.19 3iml s VAL 41 CO 0.07 0.16 0.56 0.00 0.00 0.00 0.00 175.10 175.90 3iml n ALA 42 N 4.43 3.17 -2.56 5.51 0.00 0.55 -2.11 120.51 129.50 3iml n ALA 42 Ca -0.21 -3.96 -0.42 0.00 0.00 0.00 0.00 53.44 48.86 3iml n ALA 42 Cb 0.50 -0.86 -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 -1.44 3.44 -0.05 0.00 0.00 0.14 -2.29 121.76 121.57 3iml s ALA 43 Ca 0.35 -0.96 -0.01 0.00 0.00 0.00 0.00 51.96 51.34 3iml s ALA 43 Cb 0.11 -3.15 -0.04 0.00 0.00 0.00 0.00 23.12 20.05 3iml s ALA 43 CO -0.10 -1.38 0.04 -1.21 0.00 0.00 0.00 175.76 173.11 3iml s GLU 44 N 2.63 3.03 -0.04 0.00 0.41 0.10 -4.20 118.70 120.64 3iml s GLU 44 Ca 0.22 -0.43 0.03 0.00 -0.41 0.00 0.00 54.97 54.39 3iml s GLU 44 Cb -0.15 -2.84 0.00 0.00 -1.78 0.00 0.00 34.13 29.36 3iml s GLU 44 CO 0.15 0.68 -0.12 0.99 -0.49 0.00 0.00 175.26 176.47 3iml s THR 45 N -1.03 1.06 -0.09 3.63 2.01 -1.26 -1.14 115.64 118.82 3iml s THR 45 Ca 0.18 -0.50 0.03 0.00 0.31 0.00 0.00 61.69 61.70 3iml s THR 45 Cb -0.12 -0.94 0.01 0.00 0.01 0.00 0.00 72.50 71.46 3iml s THR 45 CO 0.07 0.32 -0.18 -0.22 -0.69 0.00 0.00 174.62 173.92 3iml s LEU 46 N 0.22 1.88 0.01 4.42 0.20 -0.41 -1.26 118.68 123.74 3iml s LEU 46 Ca -0.05 -0.45 0.05 0.00 0.69 0.00 0.00 54.13 54.36 3iml s LEU 46 Cb -0.11 -1.17 -0.02 0.00 -0.43 0.00 0.00 46.19 44.47 3iml s LEU 46 CO 0.02 0.09 -0.15 0.00 -0.29 0.00 0.00 176.35 176.01 3iml n ASN 48 N 2.44 0.39 0.23 0.00 5.15 0.15 -1.15 115.26 122.46 3iml n ASN 48 Ca -0.15 -2.43 -0.16 0.00 -0.60 0.00 0.00 54.58 51.23 3iml n ASN 48 Cb 0.55 0.87 -0.09 0.00 -0.53 0.00 0.00 39.78 40.58 3iml n ASN 48 CO 0.00 0.00 0.00 0.71 1.40 0.00 0.00 177.26 179.37 3iml h THR 49 N 1.56 0.00 -0.39 -0.44 1.35 -1.81 -3.21 112.91 109.96 3iml h THR 49 Ca -0.18 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.68 3iml h THR 49 Cb 0.79 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.21 3iml h THR 49 CO 0.28 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.16 3iml n GLY 50 N -1.49 3.50 3.03 5.82 0.00 -1.26 -4.70 105.19 110.09 3iml n GLY 50 Ca -0.10 -0.92 -0.13 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 -2.51 0.63 -0.08 0.99 2.96 -1.21 -0.08 118.68 119.38 3iml s LEU 51 Ca 0.44 0.45 0.03 0.00 -0.22 0.00 0.00 54.13 54.84 3iml s LEU 51 Cb 0.34 0.65 0.00 0.00 0.50 0.00 0.00 46.19 47.68 3iml s LEU 51 CO 0.13 -0.14 -0.18 -0.69 -1.32 0.00 0.00 176.35 174.14 3iml s VAL 52 N 1.03 1.61 -0.12 1.68 1.01 -0.41 0.31 120.40 125.50 3iml s VAL 52 Ca -0.08 -0.77 0.03 0.00 0.00 0.00 0.00 61.98 61.16 3iml s VAL 52 Cb -0.09 -1.41 0.00 0.00 0.00 0.00 0.00 36.38 34.88 3iml s VAL 52 CO -0.06 0.46 -0.21 -0.69 0.00 0.00 0.00 175.10 174.60 3iml s VAL 53 N 0.41 2.26 -0.20 2.92 1.01 0.15 -0.33 120.40 126.62 3iml s VAL 53 Ca -0.15 -0.93 0.01 0.00 0.00 0.00 0.00 61.98 60.91 3iml s VAL 53 Cb -0.16 -1.90 0.02 0.00 0.00 0.00 0.00 36.38 34.34 3iml s VAL 53 CO 0.06 0.55 -0.17 -0.76 0.00 0.00 0.00 175.10 174.78 3iml s LEU 54 N 0.56 2.41 0.26 3.92 1.43 0.03 -1.28 118.68 126.01 3iml s LEU 54 Ca -0.12 -0.71 0.00 0.00 -1.03 0.00 0.00 54.13 52.27 3iml s LEU 54 Cb -0.17 -1.53 -0.03 0.00 0.03 0.00 0.00 46.19 44.50 3iml s LEU 54 CO 0.04 -0.03 0.25 0.00 0.23 0.00 0.00 176.35 176.84 3iml s ALA 55 N 1.29 1.22 0.00 4.21 0.00 -0.29 -0.60 121.76 127.59 3iml s ALA 55 Ca 0.03 -1.73 0.00 0.00 0.00 0.00 0.00 51.96 50.27 3iml s ALA 55 Cb -0.14 1.36 0.00 0.00 0.00 0.00 0.00 23.12 24.34 3iml s ALA 55 CO -0.11 -0.66 0.00 0.41 0.00 0.00 0.00 175.76 175.40 3iml n GLY 56 N -0.43 -0.26 3.23 0.00 0.00 -1.26 0.00 105.19 106.48 3iml n GLY 56 Ca 0.03 -2.22 -0.30 0.00 0.00 0.00 0.00 46.02 43.53 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 2.40 -0.02 1.61 8.01 -0.97 -0.87 118.70 128.87 3iml s GLU 57 Ca 0.00 -0.83 -0.00 0.00 0.01 0.00 0.00 54.97 54.14 3iml s GLU 57 Cb 0.00 -2.03 0.02 0.00 -4.31 0.00 0.00 34.13 27.82 3iml s GLU 57 CO 0.00 0.33 0.04 0.42 0.01 0.00 0.00 175.26 176.06 3iml s ILE 58 N -0.08 -0.05 -0.17 -1.63 1.01 0.14 -0.33 121.20 120.10 3iml s ILE 58 Ca -0.05 0.17 0.00 0.00 0.00 0.00 0.00 60.65 60.78 3iml s ILE 58 Cb -0.14 -0.08 0.03 0.00 0.01 0.00 0.00 42.46 42.28 3iml s ILE 58 CO 0.04 0.07 -0.11 -0.89 0.00 0.00 0.00 174.94 174.05 3iml s THR 59 N 0.86 1.49 -0.01 2.92 2.01 0.13 -4.03 115.64 119.00 3iml s THR 59 Ca -0.07 -0.74 -0.29 0.00 0.31 0.00 0.00 61.69 60.91 3iml s THR 59 Cb -0.10 -1.50 0.10 0.00 0.01 0.00 0.00 72.50 71.01 3iml s THR 59 CO -0.03 0.31 0.89 0.28 -0.69 0.00 0.00 174.62 175.38 3iml s THR 60 N 1.49 0.00 -1.05 -0.82 -1.32 -1.26 -1.01 115.64 111.67 3iml s THR 60 Ca 0.02 0.00 0.21 0.00 -1.21 0.00 0.00 61.69 60.72 3iml s THR 60 Cb -0.14 -1.00 -0.20 0.00 -1.51 0.00 0.00 72.50 69.65 3iml s THR 60 CO -0.09 0.00 0.95 0.35 -2.21 0.00 0.00 174.62 173.61 3iml n THR 61 N -0.17 0.00 -1.97 5.08 -2.24 -1.26 -4.99 114.28 108.73 3iml n THR 61 Ca -0.09 -0.01 -0.38 0.00 -2.27 0.00 0.00 64.05 61.30 3iml n THR 61 Cb 0.61 0.96 0.02 0.00 -2.10 0.00 0.00 70.33 69.82 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 -2.97 2.91 -0.30 6.98 0.00 -1.26 -5.02 121.76 122.10 3iml s ALA 62 Ca 0.09 1.18 -0.01 0.00 0.00 0.00 0.00 51.96 53.22 3iml s ALA 62 Cb 0.16 -3.49 0.06 0.00 0.00 0.00 0.00 23.12 19.84 3iml s ALA 62 CO 0.84 -1.07 -0.00 -0.80 0.00 0.00 0.00 175.76 174.72 3iml s ASN 63 N -1.08 4.84 -0.00 0.00 0.01 -1.26 -5.09 114.94 112.35 3iml s ASN 63 Ca 0.68 -1.36 0.08 0.00 -0.71 0.00 0.00 52.86 51.55 3iml s ASN 63 Cb -0.36 -1.69 -0.02 0.00 0.41 0.00 0.00 41.25 39.59 3iml s ASN 63 CO 0.43 -0.27 -0.26 -0.63 -1.51 0.00 0.00 177.10 174.86 3iml s ILE 64 N 1.21 2.09 -0.89 0.60 -1.09 -1.26 -5.06 121.20 116.81 3iml s ILE 64 Ca -0.05 -1.18 -0.19 0.00 -2.23 0.00 0.00 60.65 57.00 3iml s ILE 64 Cb -0.20 -1.75 0.13 0.00 -1.58 0.00 0.00 42.46 39.06 3iml s ILE 64 CO -0.02 0.52 1.09 -0.62 -1.23 0.00 0.00 174.94 174.68 3iml s ASP 65 N -0.79 6.57 0.29 3.58 -1.08 -1.26 -4.90 116.67 119.08 3iml s ASP 65 Ca 0.11 -1.93 -0.01 0.00 -0.52 0.00 0.00 52.55 50.19 3iml s ASP 65 Cb -0.10 -2.39 0.44 0.00 -1.46 0.00 0.00 42.92 39.41 3iml s ASP 65 CO -0.00 -1.09 1.90 1.88 0.52 0.00 0.00 175.17 178.37 3iml h TYR 66 N 8.90 0.91 -0.33 -5.34 0.05 -1.99 -2.22 116.97 116.95 3iml h TYR 66 Ca 0.10 -0.03 -0.01 0.00 0.05 0.00 0.00 58.73 58.84 3iml h TYR 66 Cb 1.03 -0.29 -0.02 0.00 1.01 0.00 0.00 36.73 38.47 3iml h TYR 66 CO 1.13 0.67 0.19 0.82 -1.05 0.00 0.00 178.16 179.92 3iml h ILE 67 N 0.92 1.13 -0.86 -2.88 2.04 -2.00 -1.77 117.51 114.09 3iml h ILE 67 Ca 0.23 -0.33 -0.03 0.00 1.00 0.00 0.00 64.86 65.72 3iml h ILE 67 Cb 0.10 0.75 -0.04 0.00 -0.74 0.00 0.00 36.82 36.89 3iml h ILE 67 CO -0.03 0.13 0.42 -0.61 0.00 0.00 0.00 178.15 178.07 3iml h GLN 68 N 0.42 1.24 -0.20 2.37 5.75 -1.84 -1.18 115.11 121.67 3iml h GLN 68 Ca 0.12 -0.18 -0.10 0.00 -0.15 0.00 0.00 58.65 58.34 3iml h GLN 68 Cb 0.05 -0.23 -0.01 0.00 1.07 0.00 0.00 27.48 28.36 3iml h GLN 68 CO -0.02 0.94 -0.31 0.82 -2.65 0.00 0.00 178.83 177.61 3iml h ILE 69 N 1.23 1.28 -0.10 2.39 2.04 -1.33 0.14 117.51 123.17 3iml h ILE 69 Ca 0.30 -1.35 -0.01 0.00 1.00 0.00 0.00 64.86 64.79 3iml h ILE 69 Cb 0.11 1.46 -0.00 0.00 -0.74 0.00 0.00 36.82 37.65 3iml h ILE 69 CO -0.04 0.42 0.01 0.00 0.00 0.00 0.00 178.15 178.54 3iml h ALA 70 N 1.32 0.13 -0.76 1.87 0.00 -0.90 -2.31 119.26 118.61 3iml h ALA 70 Ca 0.05 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 3iml h ALA 70 Cb 0.72 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.44 3iml h ALA 70 CO 0.06 -0.21 0.42 0.00 0.00 0.00 0.00 179.25 179.52 3iml h ARG 71 N -0.09 1.05 -0.88 0.00 3.08 -0.94 -0.96 114.38 115.64 3iml h ARG 71 Ca 0.03 -0.12 0.03 0.00 0.07 0.00 0.00 59.98 59.99 3iml h ARG 71 Cb 0.31 -0.21 -0.05 0.00 0.08 0.00 0.00 29.97 30.10 3iml h ARG 71 CO 0.00 0.77 0.58 -0.44 -1.07 0.00 0.00 179.97 179.82 3iml h ASP 72 N 1.04 0.97 -0.13 7.04 3.32 -0.71 -0.47 116.42 127.49 3iml h ASP 72 Ca 0.27 -0.01 -0.10 0.00 0.02 0.00 0.00 57.03 57.21 3iml h ASP 72 Cb 0.02 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.35 3iml h ASP 72 CO -0.04 0.68 -0.30 0.74 -1.72 0.00 0.00 179.24 178.59 3iml h THR 73 N 1.13 1.37 -0.43 0.35 2.02 -0.70 -0.36 112.91 116.30 3iml h THR 73 Ca 0.34 -1.59 -0.01 0.00 0.77 0.00 0.00 66.41 65.93 3iml h THR 73 Cb -0.02 2.07 -0.02 0.00 -1.74 0.00 0.00 68.15 68.44 3iml h THR 73 CO -0.10 0.47 0.23 0.40 0.37 0.00 0.00 175.52 176.90 3iml h ILE 74 N 0.02 1.13 0.03 3.11 2.04 -1.12 -1.55 117.51 121.17 3iml h ILE 74 Ca -0.00 -0.34 -0.00 0.00 1.00 0.00 0.00 64.86 65.52 3iml h ILE 74 Cb 0.90 0.56 0.00 0.00 -0.74 0.00 0.00 36.82 37.54 3iml h ILE 74 CO 0.07 0.15 -0.02 0.50 0.00 0.00 0.00 178.15 178.85 3iml h LYS 75 N 0.59 -0.04 -1.00 2.37 3.64 -0.74 -2.32 116.57 119.07 3iml h LYS 75 Ca 0.15 0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.56 3iml h LYS 75 Cb 0.02 0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 31.79 3iml h LYS 75 CO -0.03 0.39 0.66 -0.09 -2.27 0.00 0.00 179.45 178.12 3iml h ARG 76 N -0.49 1.28 -0.78 1.90 2.43 -0.83 -0.91 114.38 116.97 3iml h ARG 76 Ca -0.00 -0.08 0.04 0.00 -0.81 0.00 0.00 59.98 59.13 3iml h ARG 76 Cb 0.46 -0.29 -0.05 0.00 -0.42 0.00 0.00 29.97 29.67 3iml h ARG 76 CO 0.01 0.85 0.52 0.82 -1.51 0.00 0.00 179.97 180.65 3iml h ILE 77 N 1.32 1.11 0.00 1.20 2.04 -1.29 -3.47 117.51 118.42 3iml h ILE 77 Ca 0.38 -0.32 0.00 0.00 1.00 0.00 0.00 64.86 65.92 3iml h ILE 77 Cb -0.08 0.08 0.00 0.00 -0.74 0.00 0.00 36.82 36.08 3iml h ILE 77 CO -0.10 0.17 0.00 0.61 0.00 0.00 0.00 178.15 178.83 3iml n GLY 78 N -1.42 1.17 0.00 5.37 0.00 -0.35 -4.78 105.19 105.18 3iml n GLY 78 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 -0.90 -4.83 117.16 117.05 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 0.00 -0.46 0.00 0.00 176.86 176.40 3iml s ALA 92 N -0.53 3.63 -0.12 0.00 0.00 0.89 -4.92 121.76 120.70 3iml s ALA 92 Ca 0.00 1.42 0.02 0.00 0.00 0.00 0.00 51.96 53.40 3iml s ALA 92 Cb 0.00 -3.57 0.01 0.00 0.00 0.00 0.00 23.12 19.56 3iml s ALA 92 CO 0.00 -0.83 -0.20 0.08 0.00 0.00 0.00 175.76 174.80 3iml s VAL 93 N -0.37 1.87 -0.28 0.00 1.01 -1.26 -1.29 120.40 120.07 3iml s VAL 93 Ca 0.57 -0.88 -0.05 0.00 0.00 0.00 0.00 61.98 61.63 3iml s VAL 93 Cb -0.44 -1.66 0.02 0.00 0.00 0.00 0.00 36.38 34.30 3iml s VAL 93 CO 0.49 0.51 0.03 -0.22 0.00 0.00 0.00 175.10 175.92 3iml s LEU 94 N 0.79 3.66 -0.32 3.92 2.96 0.55 -4.98 118.68 125.26 3iml s LEU 94 Ca -0.09 -0.83 -0.08 0.00 -0.22 0.00 0.00 54.13 52.92 3iml s LEU 94 Cb -0.16 -1.80 0.02 0.00 0.50 0.00 0.00 46.19 44.76 3iml s LEU 94 CO -0.00 -0.18 0.11 -0.69 -1.32 0.00 0.00 176.35 174.27 3iml s VAL 95 N 1.42 4.07 -0.24 1.68 1.01 -1.26 -0.79 120.40 126.28 3iml s VAL 95 Ca 0.01 -0.81 0.15 0.00 0.00 0.00 0.00 61.98 61.33 3iml s VAL 95 Cb -0.17 -3.18 0.47 0.00 0.00 0.00 0.00 36.38 33.50 3iml s VAL 95 CO -0.00 -0.04 1.16 0.00 0.00 0.00 0.00 175.10 176.22 3iml n ALA 96 N 4.88 3.72 -1.77 5.51 0.00 0.23 -4.99 120.51 128.09 3iml n ALA 96 Ca -0.13 -3.22 -0.40 0.00 0.00 0.00 0.00 53.44 49.69 3iml n ALA 96 Cb 0.47 -0.57 -0.02 0.00 0.00 0.00 0.00 19.45 19.33 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 -3.30 3.02 -0.69 0.00 2.02 -1.25 -4.19 117.35 112.96 3iml s TYR 97 Ca 0.39 1.45 -0.22 0.00 -0.37 0.00 0.00 57.07 58.32 3iml s TYR 97 Cb 0.37 -3.62 0.08 0.00 -0.40 0.00 0.00 41.96 38.39 3iml s TYR 97 CO -0.02 -1.78 0.99 0.34 -1.57 0.00 0.00 175.55 173.50 3iml s ASP 98 N -0.65 6.22 -0.23 2.29 2.15 -0.04 -4.96 116.67 121.44 3iml s ASP 98 Ca 0.52 -1.11 -0.08 0.00 0.43 0.00 0.00 52.55 52.31 3iml s ASP 98 Cb -0.38 -2.42 -0.04 0.00 -0.30 0.00 0.00 42.92 39.78 3iml s ASP 98 CO 0.49 -1.41 0.10 -0.75 -0.17 0.00 0.00 175.17 173.44 3iml s LYS 99 N 3.94 3.86 0.00 4.34 2.20 -1.26 -0.69 119.74 132.13 3iml s LYS 99 Ca 0.23 -0.38 0.00 0.00 -0.36 0.00 0.00 55.97 55.46 3iml s LYS 99 Cb -0.15 -3.37 0.00 0.00 -1.51 0.00 0.00 37.83 32.79 3iml s LYS 99 CO 0.08 -0.01 0.00 -1.71 -0.36 0.00 0.00 175.35 173.35 3iml n ASN 115 N 4.44 0.00 0.19 1.43 2.85 -1.26 -4.98 115.26 117.92 3iml n ASN 115 Ca -0.16 0.00 0.14 0.00 -0.11 0.00 0.00 54.58 54.45 3iml n ASN 115 Cb 0.52 0.00 0.60 0.00 1.24 0.00 0.00 39.78 42.14 3iml n ASN 115 CO 0.00 0.00 0.00 -0.07 -2.11 0.00 0.00 177.26 175.08 3iml h LEU 116 N 0.00 0.00 -1.95 1.20 3.38 -2.02 -2.96 115.31 112.96 3iml h LEU 116 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3iml h LEU 116 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3iml h LEU 116 CO 0.00 0.00 0.00 0.47 0.09 0.00 0.00 178.44 179.00 3iml n ASP 117 N -2.55 2.79 -4.71 -0.43 8.00 -1.26 -4.46 116.55 113.94 3iml n ASP 117 Ca 0.01 -2.35 -0.42 0.00 0.71 0.00 0.00 54.79 52.74 3iml n ASP 117 Cb 0.23 -0.56 -0.03 0.00 -0.02 0.00 0.00 41.12 40.74 3iml n ASP 117 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 3iml s GLN 118 N -1.68 4.17 0.56 -1.24 0.74 -1.12 -4.64 119.66 116.45 3iml s GLN 118 Ca 0.21 2.48 -0.17 0.00 0.05 0.00 0.00 55.36 57.93 3iml s GLN 118 Cb 0.16 -3.30 -0.05 0.00 1.10 0.00 0.00 33.01 30.92 3iml s GLN 118 CO 0.06 -0.72 1.06 0.20 -0.55 0.00 0.00 175.29 175.35 3iml s GLY 119 N 1.69 2.29 0.38 2.59 0.00 -1.26 -4.40 107.32 108.61 3iml s GLY 119 Ca 0.74 0.51 -0.27 0.00 0.00 0.00 0.00 44.72 45.70 3iml s GLY 119 CO 0.33 0.83 1.29 0.00 0.00 0.00 0.00 173.10 175.55 3iml n ALA 120 N -1.67 1.35 0.95 3.20 0.00 -0.94 -4.50 120.51 118.91 3iml n ALA 120 Ca 0.09 0.32 0.11 0.00 0.00 0.00 0.00 53.44 53.96 3iml n ALA 120 Cb 0.52 -2.27 0.53 0.00 0.00 0.00 0.00 19.45 18.24 3iml n ALA 120 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3iml n GLY 121 N 0.77 -1.09 3.62 0.00 0.00 -1.26 -0.11 105.19 107.11 3iml n GLY 121 Ca 0.05 -0.10 -0.07 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.71 -0.31 0.74 1.61 -1.08 -1.26 -4.91 116.67 108.75 3iml s ASP 122 Ca 0.18 -0.22 -0.08 0.00 -0.52 0.00 0.00 52.55 51.91 3iml s ASP 122 Cb 0.15 0.49 0.07 0.00 -1.46 0.00 0.00 42.92 42.16 3iml s ASP 122 CO 0.36 -0.85 1.07 0.00 0.52 0.00 0.00 175.17 176.27 3iml s GLN 123 N -3.34 2.10 0.00 4.34 -2.07 -1.26 -3.83 119.66 115.60 3iml s GLN 123 Ca 0.08 -0.15 0.00 0.00 -1.82 0.00 0.00 55.36 53.47 3iml s GLN 123 Cb -0.02 -2.10 0.00 0.00 -1.09 0.00 0.00 33.01 29.81 3iml s GLN 123 CO -0.04 -1.37 0.00 0.41 -1.32 0.00 0.00 175.29 172.98 3iml n GLY 124 N -3.06 2.24 3.39 2.60 0.00 -0.86 -4.91 105.19 104.58 3iml n GLY 124 Ca 0.08 -1.38 -0.30 0.00 0.00 0.00 0.00 46.02 44.43 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 2.33 -0.01 0.99 2.34 -1.26 -0.88 118.68 122.19 3iml s LEU 125 Ca 0.00 -0.62 -0.01 0.00 0.06 0.00 0.00 54.13 53.56 3iml s LEU 125 Cb 0.00 -1.32 0.00 0.00 -0.56 0.00 0.00 46.19 44.31 3iml s LEU 125 CO 0.00 0.22 0.03 -0.04 -1.06 0.00 0.00 176.35 175.51 3iml s MET 126 N -1.63 0.10 -0.01 1.48 -1.94 0.50 -4.19 119.30 113.62 3iml s MET 126 Ca 0.13 -0.06 0.08 0.00 -1.71 0.00 0.00 55.69 54.13 3iml s MET 126 Cb -0.10 0.04 -0.02 0.00 2.01 0.00 0.00 34.83 36.76 3iml s MET 126 CO 0.05 -0.02 -0.25 -0.06 -0.01 0.00 0.00 175.02 174.73 3iml s PHE 127 N -0.25 2.37 0.10 -0.03 0.08 -1.26 -0.40 117.98 118.59 3iml s PHE 127 Ca -0.03 -0.41 0.09 0.00 0.12 0.00 0.00 56.93 56.71 3iml s PHE 127 Cb -0.02 -1.50 -0.04 0.00 -0.57 0.00 0.00 43.02 40.89 3iml s PHE 127 CO -0.00 0.01 -0.24 0.20 -0.10 0.00 0.00 175.22 175.09 3iml s GLY 128 N -0.71 1.38 -0.01 4.36 0.00 0.21 -4.76 107.32 107.79 3iml s GLY 128 Ca 0.10 -1.32 -0.16 0.00 0.00 0.00 0.00 44.72 43.35 3iml s GLY 128 CO -0.00 -1.29 0.34 -0.47 0.00 0.00 0.00 173.10 171.68 3iml s TYR 129 N -1.05 -0.22 0.04 1.90 5.04 -1.26 -1.08 117.35 120.72 3iml s TYR 129 Ca 0.10 0.32 -0.26 0.00 -2.44 0.00 0.00 57.07 54.79 3iml s TYR 129 Cb -0.10 0.13 0.06 0.00 0.35 0.00 0.00 41.96 42.40 3iml s TYR 129 CO 0.04 -0.42 0.61 0.00 -1.34 0.00 0.00 175.55 174.44 3iml s ALA 130 N -1.45 -1.58 0.17 3.97 0.00 -0.83 -4.59 121.76 117.45 3iml s ALA 130 Ca -0.12 0.84 -0.23 0.00 0.00 0.00 0.00 51.96 52.45 3iml s ALA 130 Cb -0.04 0.39 0.06 0.00 0.00 0.00 0.00 23.12 23.53 3iml s ALA 130 CO 0.04 -0.53 0.64 0.00 0.00 0.00 0.00 175.76 175.91 3iml n ASP 132 N -0.39 2.03 0.24 0.00 5.75 -0.55 -3.33 116.55 120.30 3iml n ASP 132 Ca -0.14 -2.20 0.13 0.00 -0.01 0.00 0.00 54.79 52.56 3iml n ASP 132 Cb 0.64 -0.51 0.53 0.00 -1.03 0.00 0.00 41.12 40.75 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 0.96 0.00 -4.45 0.11 5.08 -1.88 -3.45 114.58 110.95 3iml h GLU 133 Ca 0.00 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.18 3iml h GLU 133 Cb 0.80 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 29.90 3iml h GLU 133 CO 0.11 0.14 -0.68 0.95 -1.00 0.00 0.00 179.01 178.52 3iml s THR 134 N -3.65 0.43 0.43 1.13 -4.23 -1.20 -4.76 115.64 103.79 3iml s THR 134 Ca 0.01 -1.88 0.26 0.00 -1.18 0.00 0.00 61.69 58.90 3iml s THR 134 Cb 0.10 -1.66 0.29 0.00 1.34 0.00 0.00 72.50 72.57 3iml s THR 134 CO 0.61 -0.88 2.08 -0.65 -0.54 0.00 0.00 174.62 175.23 3iml h PRO 135 N 3.03 0.00 0.00 3.99 0.11 -1.91 0.58 132.00 137.80 3iml h PRO 135 Ca -0.35 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.76 3iml h PRO 135 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3iml h PRO 135 CO 0.65 0.12 0.00 0.39 -0.21 0.00 0.00 178.00 178.94 3iml n GLU 136 N -3.72 0.76 -3.31 1.05 4.71 -1.26 -4.92 120.64 113.96 3iml n GLU 136 Ca -0.02 0.01 -0.17 0.00 -0.01 0.00 0.00 57.16 56.97 3iml n GLU 136 Cb 0.23 -1.50 0.07 0.00 -1.01 0.00 0.00 31.44 29.23 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 -1.08 -3.45 -4.43 -4.62 4.77 0.20 -4.79 117.00 103.59 3iml n LEU 137 Ca 0.19 -0.49 -0.27 0.00 -0.03 0.00 0.00 56.01 55.41 3iml n LEU 137 Cb 0.14 -2.67 -0.12 0.00 -2.33 0.00 0.00 43.42 38.44 3iml n LEU 137 CO 0.18 0.44 -0.53 -0.04 -1.33 0.00 0.00 177.39 176.11 3iml s MET 138 N -5.62 1.56 0.52 3.23 -1.94 -1.21 -2.53 119.30 113.31 3iml s MET 138 Ca 0.25 -1.45 -0.22 0.00 -1.71 0.00 0.00 55.69 52.55 3iml s MET 138 Cb -0.11 -1.90 -0.06 0.00 2.01 0.00 0.00 34.83 34.78 3iml s MET 138 CO 0.61 0.42 1.29 -1.25 -0.01 0.00 0.00 175.02 176.08 3iml s PRO 139 N -2.55 3.32 0.05 2.03 0.04 -1.26 -3.22 135.00 133.41 3iml s PRO 139 Ca 0.20 2.07 -0.26 0.00 0.04 0.00 0.00 61.00 63.05 3iml s PRO 139 Cb -0.08 -2.29 -0.17 0.00 0.04 0.00 0.00 34.50 32.00 3iml s PRO 139 CO 0.10 -0.99 1.50 1.25 0.04 0.00 0.00 177.00 178.89 3iml h LEU 140 N 1.61 -0.27 -0.41 -3.56 5.85 -1.97 -3.14 115.31 113.42 3iml h LEU 140 Ca -0.50 -0.11 0.05 0.00 0.84 0.00 0.00 57.88 58.15 3iml h LEU 140 Cb 1.28 0.07 -0.04 0.00 0.37 0.00 0.00 40.66 42.34 3iml h LEU 140 CO 0.58 -0.04 0.15 -0.65 -0.34 0.00 0.00 178.44 178.14 3iml h PRO 141 N -0.49 0.31 -0.58 5.25 0.11 -1.92 -0.70 132.00 133.98 3iml h PRO 141 Ca -0.03 -0.02 -0.07 0.00 0.11 0.00 0.00 66.00 65.99 3iml h PRO 141 Cb 0.37 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 31.38 3iml h PRO 141 CO 0.05 0.21 0.08 0.97 -0.21 0.00 0.00 178.00 179.10 3iml h ILE 142 N 0.32 1.25 -0.32 4.15 6.09 -1.84 -1.55 117.51 125.61 3iml h ILE 142 Ca 0.19 -0.98 0.02 0.00 -1.37 0.00 0.00 64.86 62.72 3iml h ILE 142 Cb 0.16 0.72 -0.02 0.00 0.47 0.00 0.00 36.82 38.15 3iml h ILE 142 CO -0.18 0.36 0.18 -0.74 -3.07 0.00 0.00 178.15 174.69 3iml h HIS 143 N 0.89 0.33 -0.70 2.19 2.76 -1.14 -0.72 115.15 118.76 3iml h HIS 143 Ca 0.18 0.01 -0.08 0.00 -2.20 0.00 0.00 60.37 58.29 3iml h HIS 143 Cb 0.41 -0.10 -0.03 0.00 1.55 0.00 0.00 27.41 29.24 3iml h HIS 143 CO 0.03 0.19 0.14 -0.07 -1.30 0.00 0.00 177.93 176.92 3iml h LEU 144 N 0.37 1.08 -0.43 0.26 3.38 -1.10 -2.27 115.31 116.59 3iml h LEU 144 Ca 0.13 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.86 3iml h LEU 144 Cb 0.01 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.46 3iml h LEU 144 CO -0.07 1.05 0.28 0.28 0.09 0.00 0.00 178.44 180.07 3iml h SER 145 N 1.07 0.50 -0.63 -0.43 0.02 -0.89 -0.13 113.55 113.06 3iml h SER 145 Ca 0.22 -0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 61.14 3iml h SER 145 Cb 0.41 -0.13 -0.03 0.00 0.14 0.00 0.00 62.40 62.79 3iml h SER 145 CO 0.01 0.37 0.37 0.45 -1.14 0.00 0.00 176.83 176.89 3iml h HIS 146 N 0.59 0.84 -0.50 3.45 3.86 -1.07 -2.85 115.15 119.47 3iml h HIS 146 Ca 0.16 -0.01 -0.06 0.00 -1.16 0.00 0.00 60.37 59.30 3iml h HIS 146 Cb -0.06 -0.27 -0.02 0.00 1.06 0.00 0.00 27.41 28.12 3iml h HIS 146 CO -0.04 0.58 0.06 0.00 0.86 0.00 0.00 177.93 179.39 3iml h ARG 147 N 0.86 0.79 -0.25 2.45 -0.00 -1.09 -0.25 114.38 116.90 3iml h ARG 147 Ca 0.23 -0.19 -0.02 0.00 -0.50 0.00 0.00 59.98 59.50 3iml h ARG 147 Cb -0.00 -0.11 -0.01 0.00 0.00 0.00 0.00 29.97 29.85 3iml h ARG 147 CO -0.04 0.76 0.07 -0.07 0.00 0.00 0.00 179.97 180.69 3iml h LEU 148 N 0.75 0.36 -0.55 3.04 3.38 -0.84 -0.46 115.31 120.99 3iml h LEU 148 Ca 0.16 -0.21 -0.16 0.00 0.09 0.00 0.00 57.88 57.76 3iml h LEU 148 Cb 0.37 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 3iml h LEU 148 CO 0.01 0.48 -0.64 -0.37 0.09 0.00 0.00 178.44 178.00 3iml h VAL 149 N 0.23 1.38 -0.57 1.22 -1.51 -1.37 -2.49 116.25 113.14 3iml h VAL 149 Ca 0.08 -2.03 0.01 0.00 -1.23 0.00 0.00 66.70 63.53 3iml h VAL 149 Cb 0.25 2.02 -0.03 0.00 -2.13 0.00 0.00 31.29 31.40 3iml h VAL 149 CO -0.00 0.61 0.38 -0.08 -1.23 0.00 0.00 177.57 177.24 3iml h GLU 150 N 0.23 0.74 -0.56 5.19 4.81 -0.90 -2.10 114.58 121.99 3iml h GLU 150 Ca -0.01 -0.04 0.05 0.00 -0.13 0.00 0.00 59.36 59.23 3iml h GLU 150 Cb 1.18 -0.17 -0.05 0.00 0.63 0.00 0.00 28.75 30.34 3iml h GLU 150 CO 0.11 0.49 0.29 -0.09 -0.73 0.00 0.00 179.01 179.07 3iml h ARG 151 N 0.77 0.53 -0.10 1.92 9.65 -0.96 0.41 114.38 126.59 3iml h ARG 151 Ca 0.21 -0.03 -0.10 0.00 -1.10 0.00 0.00 59.98 58.96 3iml h ARG 151 Cb -0.08 -0.12 -0.01 0.00 -1.39 0.00 0.00 29.97 28.36 3iml h ARG 151 CO -0.05 0.35 -0.39 -0.56 2.80 0.00 0.00 179.97 182.12 3iml h GLN 152 N 0.55 0.21 -0.42 0.20 -0.00 -1.04 -0.96 115.11 113.64 3iml h GLN 152 Ca 0.25 -0.10 -0.11 0.00 -0.00 0.00 0.00 58.65 58.70 3iml h GLN 152 Cb 0.17 -0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 27.64 3iml h GLN 152 CO -0.18 0.58 -0.17 0.00 -0.00 0.00 0.00 178.83 179.06 3iml h ALA 153 N 1.42 0.58 0.09 0.06 0.00 -0.87 -1.40 119.26 119.13 3iml h ALA 153 Ca 0.02 -0.36 0.01 0.00 0.00 0.00 0.00 54.91 54.58 3iml h ALA 153 Cb 0.78 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 3iml h ALA 153 CO 0.06 0.52 -0.13 -0.91 0.00 0.00 0.00 179.25 178.79 3iml h ASN 154 N 0.67 -0.35 0.15 0.00 2.35 -0.44 -0.12 115.58 117.85 3iml h ASN 154 Ca 0.10 0.04 -0.02 0.00 -0.55 0.00 0.00 56.30 55.86 3iml h ASN 154 Cb 0.72 0.13 -0.00 0.00 0.05 0.00 0.00 38.32 39.22 3iml h ASN 154 CO 0.06 -0.19 -0.11 -0.07 -1.65 0.00 0.00 177.43 175.46 3iml h LEU 155 N -0.26 0.00 0.29 1.61 3.38 -1.20 -1.11 115.31 118.03 3iml h LEU 155 Ca 0.02 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 3iml h LEU 155 Cb 0.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.02 3iml h LEU 155 CO -0.06 0.11 -0.14 -0.09 0.09 0.00 0.00 178.44 178.35 3iml h ARG 156 N 0.00 -0.38 0.00 1.13 2.43 -0.78 -2.03 114.38 114.75 3iml h ARG 156 Ca -0.00 0.03 -0.07 0.00 -0.81 0.00 0.00 59.98 59.12 3iml h ARG 156 Cb 0.22 0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.84 3iml h ARG 156 CO 0.01 -0.08 -0.34 0.00 -1.51 0.00 0.00 179.97 178.06 3iml h ARG 157 N -0.70 0.00 -0.26 0.20 3.08 -0.54 -2.44 114.38 113.73 3iml h ARG 157 Ca -0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.01 3iml h ARG 157 Cb 0.48 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.53 3iml h ARG 157 CO 0.07 0.34 0.00 -0.40 -1.07 0.00 0.00 179.97 178.90 3iml n ASP 158 N -3.37 2.39 -0.32 7.04 5.68 -0.46 -4.96 116.55 122.54 3iml n ASP 158 Ca 0.01 -1.84 -0.04 0.00 -0.50 0.00 0.00 54.79 52.42 3iml n ASP 158 Cb 0.54 -0.16 -0.02 0.00 -1.14 0.00 0.00 41.12 40.34 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 1.28 0.66 0.24 6.12 0.00 -0.92 -4.91 105.19 107.66 3iml n GLY 159 Ca 0.17 -0.34 -0.13 0.00 0.00 0.00 0.00 46.02 45.72 3iml n GLY 159 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3iml h ARG 160 N 0.30 0.82 -3.17 1.61 3.08 -1.73 -3.33 114.38 111.95 3iml h ARG 160 Ca -0.09 -0.44 -0.63 0.00 0.07 0.00 0.00 59.98 58.90 3iml h ARG 160 Cb 0.47 0.02 -0.42 0.00 0.08 0.00 0.00 29.97 30.12 3iml h ARG 160 CO 0.12 1.08 -0.60 -0.51 -1.07 0.00 0.00 179.97 179.00 3iml s LEU 161 N -8.91 4.62 0.12 3.04 1.43 -0.80 -4.97 118.68 113.22 3iml s LEU 161 Ca -0.12 -3.58 0.22 0.00 -1.03 0.00 0.00 54.13 49.63 3iml s LEU 161 Cb 0.10 -1.62 0.89 0.00 0.03 0.00 0.00 46.19 45.59 3iml s LEU 161 CO 0.86 -0.13 1.69 -0.81 0.23 0.00 0.00 176.35 178.19 3iml n PRO 162 N 2.34 0.11 0.00 1.29 -0.04 -1.25 -2.22 135.00 135.23 3iml n PRO 162 Ca 0.15 0.25 0.14 0.00 -0.04 0.00 0.00 63.50 64.00 3iml n PRO 162 Cb 0.34 -1.68 0.61 0.00 -0.04 0.00 0.00 33.50 32.73 3iml n PRO 162 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 3iml n TRP 163 N -1.89 0.00 -1.58 0.54 4.27 -1.26 -4.86 117.44 112.66 3iml n TRP 163 Ca 0.04 0.00 -0.34 0.00 -3.89 0.00 0.00 57.50 53.31 3iml n TRP 163 Cb 0.27 -0.35 0.08 0.00 -1.36 0.00 0.00 31.31 29.94 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 -2.79 3.38 0.36 5.67 1.43 -0.94 -0.45 118.68 125.34 3iml s LEU 164 Ca 0.20 2.30 0.03 0.00 -1.03 0.00 0.00 54.13 55.63 3iml s LEU 164 Cb 0.19 -4.58 -0.04 0.00 0.03 0.00 0.00 46.19 41.79 3iml s LEU 164 CO 0.52 -2.05 0.09 -0.13 0.23 0.00 0.00 176.35 175.01 3iml s ARG 165 N -3.86 1.77 0.17 1.70 1.81 -0.97 -4.68 118.95 114.91 3iml s ARG 165 Ca 0.73 -2.03 -0.14 0.00 -1.72 0.00 0.00 55.73 52.57 3iml s ARG 165 Cb -0.28 -0.76 0.07 0.00 -0.45 0.00 0.00 34.95 33.53 3iml s ARG 165 CO 0.43 -0.32 1.83 -1.35 -0.68 0.00 0.00 175.30 175.21 3iml h PRO 166 N 1.96 0.70 -6.42 3.54 0.11 -1.87 -3.41 132.00 126.62 3iml h PRO 166 Ca -0.39 -0.05 -0.54 0.00 0.11 0.00 0.00 66.00 65.14 3iml h PRO 166 Cb 1.26 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 32.21 3iml h PRO 166 CO 0.64 0.47 0.65 0.34 -0.21 0.00 0.00 178.00 179.89 3iml s ASP 167 N -5.69 7.03 0.08 -2.05 -1.08 -1.26 -3.60 116.67 110.09 3iml s ASP 167 Ca -0.13 1.98 -0.16 0.00 -0.52 0.00 0.00 52.55 53.72 3iml s ASP 167 Cb 0.12 -2.57 0.03 0.00 -1.46 0.00 0.00 42.92 39.04 3iml s ASP 167 CO 0.75 -0.55 0.37 0.00 0.52 0.00 0.00 175.17 176.26 3iml s ALA 168 N 1.60 -0.87 -0.01 3.66 0.00 -1.26 -0.60 121.76 124.28 3iml s ALA 168 Ca 0.59 0.07 -0.00 0.00 0.00 0.00 0.00 51.96 52.61 3iml s ALA 168 Cb -0.29 0.47 0.02 0.00 0.00 0.00 0.00 23.12 23.32 3iml s ALA 168 CO 0.27 -0.52 0.02 0.21 0.00 0.00 0.00 175.76 175.74 3iml s LYS 169 N -3.05 -0.01 0.07 0.00 2.20 0.16 -0.81 119.74 118.30 3iml s LYS 169 Ca -0.02 0.11 0.07 0.00 -0.36 0.00 0.00 55.97 55.77 3iml s LYS 169 Cb 0.01 -0.11 -0.03 0.00 -1.51 0.00 0.00 37.83 36.18 3iml s LYS 169 CO -0.07 -0.08 -0.19 -1.54 -0.36 0.00 0.00 175.35 173.11 3iml s SER 170 N 0.53 2.26 -0.04 1.43 1.04 -0.42 -1.24 113.70 117.26 3iml s SER 170 Ca -0.04 -0.59 -0.00 0.00 0.48 0.00 0.00 55.95 55.79 3iml s SER 170 Cb -0.06 -0.14 0.03 0.00 0.10 0.00 0.00 66.02 65.94 3iml s SER 170 CO -0.02 0.07 0.01 -1.58 0.98 0.00 0.00 173.24 172.70 3iml s GLN 171 N -1.54 0.29 -0.14 4.02 0.74 0.90 -1.58 119.66 122.35 3iml s GLN 171 Ca 0.05 0.12 0.01 0.00 0.05 0.00 0.00 55.36 55.59 3iml s GLN 171 Cb -0.09 -0.56 0.02 0.00 1.10 0.00 0.00 33.01 33.48 3iml s GLN 171 CO 0.03 -0.19 -0.17 0.08 -0.55 0.00 0.00 175.29 174.49 3iml s VAL 172 N 1.32 1.72 -0.27 1.34 1.01 -0.55 -0.23 120.40 124.76 3iml s VAL 172 Ca -0.06 -0.75 -0.08 0.00 0.00 0.00 0.00 61.98 61.10 3iml s VAL 172 Cb -0.13 -1.58 -0.02 0.00 0.00 0.00 0.00 36.38 34.65 3iml s VAL 172 CO -0.02 0.48 0.09 -0.89 0.00 0.00 0.00 175.10 174.76 3iml s THR 173 N 1.22 4.34 -0.11 3.92 2.01 0.14 -1.78 115.64 125.38 3iml s THR 173 Ca 0.00 -0.28 -0.01 0.00 0.31 0.00 0.00 61.69 61.71 3iml s THR 173 Cb -0.14 -3.10 -0.03 0.00 0.01 0.00 0.00 72.50 69.25 3iml s THR 173 CO -0.07 0.25 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.35 3iml s VAL 174 N 1.60 3.67 -0.12 3.82 1.01 0.13 -1.04 120.40 129.48 3iml s VAL 174 Ca 0.06 -0.46 -0.26 0.00 0.00 0.00 0.00 61.98 61.31 3iml s VAL 174 Cb -0.16 -2.55 -0.02 0.00 0.00 0.00 0.00 36.38 33.65 3iml s VAL 174 CO 0.04 0.54 0.85 -0.60 0.00 0.00 0.00 175.10 175.93 3iml s ARG 175 N -0.15 4.37 -0.13 2.72 3.52 -0.16 -1.04 118.95 128.09 3iml s ARG 175 Ca 0.02 1.09 -0.04 0.00 -0.13 0.00 0.00 55.73 56.67 3iml s ARG 175 Cb -0.13 -3.53 -0.03 0.00 -1.56 0.00 0.00 34.95 29.70 3iml s ARG 175 CO 0.03 -0.22 -0.00 0.71 -0.81 0.00 0.00 175.30 175.01 3iml s TYR 176 N 1.73 3.13 -0.01 5.12 2.02 1.00 -0.33 117.35 130.00 3iml s TYR 176 Ca 0.41 -0.01 0.02 0.00 -0.37 0.00 0.00 57.07 57.12 3iml s TYR 176 Cb -0.18 -1.91 -0.00 0.00 -0.40 0.00 0.00 41.96 39.48 3iml s TYR 176 CO 0.16 0.22 -0.07 0.08 -1.57 0.00 0.00 175.55 174.38 3iml s VAL 177 N -0.18 0.56 -1.49 0.71 1.01 -0.49 -1.32 120.40 119.19 3iml s VAL 177 Ca 0.05 -0.29 0.00 0.00 0.00 0.00 0.00 61.98 61.74 3iml s VAL 177 Cb -0.13 -0.48 0.00 0.00 0.00 0.00 0.00 36.38 35.77 3iml s VAL 177 CO 0.02 0.17 0.00 -0.67 0.00 0.00 0.00 175.10 174.62 3iml n ASP 178 N 3.02 -4.71 -1.77 3.32 -0.08 -1.26 -1.98 116.55 113.09 3iml n ASP 178 Ca -0.14 0.24 -0.18 0.00 -1.51 0.00 0.00 54.79 53.19 3iml n ASP 178 Cb 0.57 -3.65 -0.04 0.00 2.34 0.00 0.00 41.12 40.34 3iml n ASP 178 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3iml n GLY 179 N -1.09 0.48 2.96 0.27 0.00 -1.26 -5.01 105.19 101.54 3iml n GLY 179 Ca -0.16 -0.15 -0.10 0.00 0.00 0.00 0.00 46.02 45.61 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 -4.34 0.23 0.27 1.61 0.00 -0.84 -5.10 119.74 111.57 3iml s LYS 180 Ca 0.00 -0.39 -0.31 0.00 0.00 0.00 0.00 55.97 55.27 3iml s LYS 180 Cb 0.00 0.08 -0.12 0.00 0.00 0.00 0.00 37.83 37.80 3iml s LYS 180 CO 0.00 -0.04 1.64 -2.14 0.00 0.00 0.00 175.35 174.81 3iml s PRO 181 N -0.98 4.12 -0.09 1.78 0.02 -1.26 -1.40 135.00 137.17 3iml s PRO 181 Ca -0.11 2.60 -0.01 0.00 0.02 0.00 0.00 61.00 63.50 3iml s PRO 181 Cb -0.07 -3.03 -0.05 0.00 0.02 0.00 0.00 34.50 31.36 3iml s PRO 181 CO -0.01 -0.68 -0.10 1.58 -0.33 0.00 0.00 177.00 177.47 3iml n HIS 182 N 2.71 0.00 -3.82 6.54 -0.00 0.55 -4.84 115.22 116.35 3iml n HIS 182 Ca 0.11 0.00 -0.06 0.00 0.46 0.00 0.00 57.72 58.22 3iml n HIS 182 Cb 0.37 -0.35 -0.00 0.00 -0.12 0.00 0.00 29.99 29.88 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 -5.21 -0.14 -0.32 0.26 1.04 -1.20 -4.74 113.70 103.39 3iml s SER 183 Ca -0.13 -0.71 -0.07 0.00 0.48 0.00 0.00 55.95 55.52 3iml s SER 183 Cb 0.04 0.68 0.02 0.00 0.10 0.00 0.00 66.02 66.86 3iml s SER 183 CO 0.20 -1.29 0.09 -0.63 0.98 0.00 0.00 173.24 172.59 3iml s ILE 184 N -3.14 3.86 -0.03 -1.02 1.01 -0.76 -0.99 121.20 120.12 3iml s ILE 184 Ca 0.14 -0.91 -0.12 0.00 0.00 0.00 0.00 60.65 59.76 3iml s ILE 184 Cb -0.04 -3.08 -0.06 0.00 0.01 0.00 0.00 42.46 39.28 3iml s ILE 184 CO 0.07 -0.04 0.54 -0.78 0.00 0.00 0.00 174.94 174.72 3iml h ASP 185 N 8.23 -0.35 -3.72 3.58 3.58 -1.38 -3.41 116.42 122.94 3iml h ASP 185 Ca -0.27 0.01 -0.33 0.00 0.42 0.00 0.00 57.03 56.85 3iml h ASP 185 Cb 1.10 0.09 -0.31 0.00 1.72 0.00 0.00 39.33 41.94 3iml h ASP 185 CO 0.60 0.01 -0.75 -0.89 -2.88 0.00 0.00 179.24 175.33 3iml s THR 186 N -2.93 0.33 -0.15 2.25 2.01 -1.18 -0.86 115.64 115.11 3iml s THR 186 Ca -0.06 -0.11 -0.00 0.00 0.31 0.00 0.00 61.69 61.83 3iml s THR 186 Cb 0.01 -0.33 -0.01 0.00 0.01 0.00 0.00 72.50 72.18 3iml s THR 186 CO 0.18 0.13 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.42 3iml s VAL 187 N 0.33 2.85 -0.15 3.82 1.01 -0.73 -0.68 120.40 126.84 3iml s VAL 187 Ca -0.03 -0.71 -0.02 0.00 0.00 0.00 0.00 61.98 61.21 3iml s VAL 187 Cb -0.07 -2.21 -0.02 0.00 0.00 0.00 0.00 36.38 34.08 3iml s VAL 187 CO -0.00 0.51 -0.07 -0.69 0.00 0.00 0.00 175.10 174.84 3iml s VAL 188 N 0.75 3.55 -0.12 2.92 1.01 0.69 -1.88 120.40 127.32 3iml s VAL 188 Ca -0.06 -0.48 -0.02 0.00 0.00 0.00 0.00 61.98 61.42 3iml s VAL 188 Cb -0.15 -2.54 0.04 0.00 0.00 0.00 0.00 36.38 33.73 3iml s VAL 188 CO 0.01 0.50 0.04 -0.22 0.00 0.00 0.00 175.10 175.43 3iml s LEU 189 N 0.44 0.64 -0.14 3.92 0.20 -0.62 -0.07 118.68 123.06 3iml s LEU 189 Ca -0.06 -0.35 -0.03 0.00 0.69 0.00 0.00 54.13 54.38 3iml s LEU 189 Cb -0.15 -0.40 -0.03 0.00 -0.43 0.00 0.00 46.19 45.18 3iml s LEU 189 CO 0.04 -0.26 -0.03 -0.44 -0.29 0.00 0.00 176.35 175.36 3iml s SER 190 N 2.00 4.88 0.00 3.68 0.01 -0.37 -1.78 113.70 122.12 3iml s SER 190 Ca 0.03 -0.07 0.03 0.00 1.31 0.00 0.00 55.95 57.25 3iml s SER 190 Cb -0.14 -1.67 -0.01 0.00 0.21 0.00 0.00 66.02 64.41 3iml s SER 190 CO -0.06 0.22 -0.09 0.28 0.41 0.00 0.00 173.24 174.00 3iml s THR 191 N 0.04 0.68 0.72 1.44 -1.32 -1.26 -0.67 115.64 115.27 3iml s THR 191 Ca 0.01 -0.46 -0.14 0.00 -1.21 0.00 0.00 61.69 59.88 3iml s THR 191 Cb -0.13 -0.59 0.04 0.00 -1.51 0.00 0.00 72.50 70.30 3iml s THR 191 CO 0.03 0.12 1.15 -1.58 -2.21 0.00 0.00 174.62 172.13 3iml s GLN 192 N -0.38 2.31 0.12 7.08 0.74 0.24 -4.70 119.66 125.06 3iml s GLN 192 Ca 0.02 1.52 -0.24 0.00 0.05 0.00 0.00 55.36 56.71 3iml s GLN 192 Cb -0.04 -1.88 0.07 0.00 1.10 0.00 0.00 33.01 32.26 3iml s GLN 192 CO -0.00 -1.66 0.63 -3.38 -0.55 0.00 0.00 175.29 170.34 3iml s HIS 193 N -2.29 -0.53 0.61 1.67 -3.43 -0.06 -2.28 115.29 108.97 3iml s HIS 193 Ca 0.69 0.40 -0.19 0.00 -0.80 0.00 0.00 55.06 55.16 3iml s HIS 193 Cb -0.24 0.54 -0.03 0.00 -1.43 0.00 0.00 32.58 31.43 3iml s HIS 193 CO 0.46 -0.80 1.26 0.00 -2.00 0.00 0.00 174.74 173.67 3iml s ALA 194 N -3.44 2.52 0.32 -1.38 0.00 0.40 -4.29 121.76 115.90 3iml s ALA 194 Ca 0.00 1.14 0.30 0.00 0.00 0.00 0.00 51.96 53.40 3iml s ALA 194 Cb -0.01 -3.51 1.44 0.00 0.00 0.00 0.00 23.12 21.04 3iml s ALA 194 CO -0.10 -1.37 2.04 -1.00 0.00 0.00 0.00 175.76 175.33 3iml h PRO 195 N 0.85 0.00 0.00 0.00 0.13 -1.93 -3.22 132.00 127.84 3iml h PRO 195 Ca -0.51 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.61 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 0.55 0.10 -0.04 0.93 -0.23 0.00 0.00 178.00 179.31 3iml h GLU 196 N 0.00 0.00 -6.15 0.86 3.07 -1.98 -3.44 114.58 106.95 3iml h GLU 196 Ca -0.00 0.00 -0.59 0.00 -0.50 0.00 0.00 59.36 58.27 3iml h GLU 196 Cb 0.42 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 28.28 3iml h GLU 196 CO 0.01 0.04 -0.18 -1.50 -1.40 0.00 0.00 179.01 175.99 3iml s ILE 197 N -4.00 5.00 0.24 3.13 2.07 -1.22 -5.09 121.20 121.33 3iml s ILE 197 Ca -0.02 0.68 -0.11 0.00 -1.41 0.00 0.00 60.65 59.79 3iml s ILE 197 Cb 0.12 -3.70 -0.08 0.00 0.13 0.00 0.00 42.46 38.93 3iml s ILE 197 CO 0.52 0.36 0.59 1.51 -1.91 0.00 0.00 174.94 176.01 3iml s ASP 198 N -1.55 6.68 0.10 4.50 1.47 -1.26 -4.98 116.67 121.63 3iml s ASP 198 Ca 0.32 1.02 -0.35 0.00 1.18 0.00 0.00 52.55 54.72 3iml s ASP 198 Cb -0.15 -2.27 -0.15 0.00 -0.34 0.00 0.00 42.92 40.01 3iml s ASP 198 CO 0.17 -0.08 1.56 -0.07 0.68 0.00 0.00 175.17 177.43 3iml h LEU 199 N 2.59 -1.57 -0.83 2.11 4.07 -1.98 -1.20 115.31 118.50 3iml h LEU 199 Ca -0.47 0.16 0.15 0.00 0.08 0.00 0.00 57.88 57.80 3iml h LEU 199 Cb 1.17 0.57 -0.15 0.00 1.08 0.00 0.00 40.66 43.33 3iml h LEU 199 CO 0.68 -0.58 -0.25 -2.65 -1.08 0.00 0.00 178.44 174.56 3iml n PRO 200 N -5.50 -0.12 0.05 1.13 -0.02 -1.26 0.19 135.00 129.47 3iml n PRO 200 Ca -0.09 1.28 -0.10 0.00 -2.02 0.00 0.00 63.50 62.57 3iml n PRO 200 Cb 0.42 -1.91 0.02 0.00 -0.02 0.00 0.00 33.50 32.01 3iml n PRO 200 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3iml h ALA 201 N 1.47 0.57 -0.02 3.55 0.00 -1.92 -2.65 119.26 120.26 3iml h ALA 201 Ca 0.36 -0.62 -0.00 0.00 0.00 0.00 0.00 54.91 54.65 3iml h ALA 201 Cb 0.57 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 3iml h ALA 201 CO -0.84 0.77 0.01 1.25 0.00 0.00 0.00 179.25 180.44 3iml h LEU 202 N 0.28 0.03 -1.06 0.00 6.46 0.91 -1.05 115.31 120.88 3iml h LEU 202 Ca -0.03 -0.04 -0.05 0.00 -0.12 0.00 0.00 57.88 57.64 3iml h LEU 202 Cb 1.33 -0.01 -0.03 0.00 -0.73 0.00 0.00 40.66 41.22 3iml h LEU 202 CO 0.13 0.05 0.14 0.03 -0.62 0.00 0.00 178.44 178.17 3iml h ARG 203 N -0.00 0.82 -0.21 1.25 3.08 -0.25 -0.53 114.38 118.54 3iml h ARG 203 Ca 0.01 -0.16 -0.08 0.00 0.07 0.00 0.00 59.98 59.82 3iml h ARG 203 Cb 0.03 -0.13 -0.00 0.00 0.08 0.00 0.00 29.97 29.95 3iml h ARG 203 CO -0.00 0.73 -0.19 0.93 -1.07 0.00 0.00 179.97 180.36 3iml h GLU 204 N 0.79 0.50 -0.75 0.04 4.39 -1.39 -2.28 114.58 115.87 3iml h GLU 204 Ca 0.18 -0.26 0.01 0.00 0.34 0.00 0.00 59.36 59.63 3iml h GLU 204 Cb 0.27 0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 28.89 3iml h GLU 204 CO -0.00 0.83 0.49 0.00 -1.16 0.00 0.00 179.01 179.17 3iml h ALA 205 N 0.65 0.95 -0.34 3.43 0.00 -0.83 -1.70 119.26 121.43 3iml h ALA 205 Ca 0.03 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.78 3iml h ALA 205 Cb 0.74 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 3iml h ALA 205 CO 0.05 0.36 -0.25 0.28 0.00 0.00 0.00 179.25 179.68 3iml h VAL 206 N 1.01 1.29 -0.14 0.00 2.07 -1.06 0.59 116.25 120.01 3iml h VAL 206 Ca 0.28 -1.40 -0.00 0.00 0.82 0.00 0.00 66.70 66.39 3iml h VAL 206 Cb -0.10 1.44 -0.01 0.00 -1.52 0.00 0.00 31.29 31.10 3iml h VAL 206 CO -0.06 0.46 0.08 0.40 0.02 0.00 0.00 177.57 178.47 3iml h ILE 207 N 0.55 1.07 -0.05 4.57 2.04 -1.34 0.10 117.51 124.45 3iml h ILE 207 Ca 0.07 -0.17 -0.19 0.00 1.00 0.00 0.00 64.86 65.56 3iml h ILE 207 Cb 0.81 0.94 -0.01 0.00 -0.74 0.00 0.00 36.82 37.83 3iml h ILE 207 CO 0.07 0.06 -0.77 -0.33 0.00 0.00 0.00 178.15 177.18 3iml h GLU 208 N 0.15 0.33 0.00 2.37 4.39 -1.27 -0.74 114.58 119.81 3iml h GLU 208 Ca 0.05 -0.29 -0.25 0.00 0.34 0.00 0.00 59.36 59.21 3iml h GLU 208 Cb 0.03 0.07 -0.05 0.00 -0.10 0.00 0.00 28.75 28.70 3iml h GLU 208 CO -0.01 0.95 -1.93 0.39 -1.16 0.00 0.00 179.01 177.26 3iml n GLU 209 N -3.79 1.78 -0.13 2.33 1.02 0.19 -4.43 120.64 117.62 3iml n GLU 209 Ca -0.04 -0.01 -0.24 0.00 -0.02 0.00 0.00 57.16 56.85 3iml n GLU 209 Cb 0.73 -1.35 -0.08 0.00 -0.02 0.00 0.00 31.44 30.72 3iml n GLU 209 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3iml n VAL 210 N -2.50 1.52 0.02 2.62 0.31 0.16 -4.67 118.33 115.80 3iml n VAL 210 Ca -0.22 -0.25 -0.02 0.00 -0.01 0.00 0.00 64.34 63.84 3iml n VAL 210 Cb 0.94 -2.01 -0.01 0.00 -0.91 0.00 0.00 33.84 31.85 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 -0.73 2.52 2.04 -1.05 -3.33 117.51 115.96 3iml h ILE 211 Ca -0.52 -0.75 0.10 0.00 1.00 0.00 0.00 64.86 64.69 3iml h ILE 211 Cb 1.45 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 37.46 3iml h ILE 211 CO -0.31 0.00 0.36 0.11 0.00 0.00 0.00 178.15 178.30 3iml h LYS 212 N -0.91 0.57 0.00 2.37 1.57 -1.36 -1.98 116.57 116.84 3iml h LYS 212 Ca -0.02 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 3iml h LYS 212 Cb 0.12 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.30 3iml h LYS 212 CO 0.03 0.38 0.00 -1.35 -0.57 0.00 0.00 179.45 177.94 3iml h PRO 213 N 0.59 0.00 0.00 3.15 0.11 -1.77 -3.01 132.00 131.07 3iml h PRO 213 Ca 0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.48 3iml h PRO 213 Cb 0.42 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.53 3iml h PRO 213 CO -0.29 0.00 -0.95 2.41 -0.21 0.00 0.00 178.00 178.96 3iml n THR 214 N -3.05 0.33 -3.16 -1.15 -1.04 -0.76 -4.89 114.28 100.57 3iml n THR 214 Ca 0.00 -0.34 -0.39 0.00 -2.04 0.00 0.00 64.05 61.28 3iml n THR 214 Cb 0.29 -0.05 -0.06 0.00 -1.82 0.00 0.00 70.33 68.70 3iml n THR 214 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 3iml s LEU 215 N -4.41 4.43 0.09 -4.42 1.43 -1.11 -5.00 118.68 109.70 3iml s LEU 215 Ca 0.03 1.23 -0.31 0.00 -1.03 0.00 0.00 54.13 54.05 3iml s LEU 215 Cb 0.13 -2.99 -0.07 0.00 0.03 0.00 0.00 46.19 43.29 3iml s LEU 215 CO 0.78 0.09 1.25 -2.16 0.23 0.00 0.00 176.35 176.54 3iml s PRO 216 N -0.21 4.41 0.49 1.29 0.05 -1.26 -4.90 135.00 134.88 3iml s PRO 216 Ca 0.32 1.86 0.14 0.00 0.05 0.00 0.00 61.00 63.38 3iml s PRO 216 Cb -0.19 -3.30 1.16 0.00 0.05 0.00 0.00 34.50 32.21 3iml s PRO 216 CO 0.18 -0.27 2.12 0.00 0.05 0.00 0.00 177.00 179.08 3iml h ALA 217 N 6.54 1.91 0.00 8.56 0.00 -1.95 -1.41 119.26 132.92 3iml h ALA 217 Ca -0.42 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.47 3iml h ALA 217 Cb 1.21 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.96 3iml h ALA 217 CO 0.81 0.08 -0.00 0.38 0.00 0.00 0.00 179.25 180.52 3iml h ASP 218 N 0.14 0.00 -0.02 0.00 2.03 -2.00 -2.69 116.42 113.87 3iml h ASP 218 Ca 0.04 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.34 3iml h ASP 218 Cb -0.00 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.50 3iml h ASP 218 CO -0.01 0.00 -0.06 0.18 -1.03 0.00 0.00 179.24 178.32 3iml n LEU 219 N -3.32 2.57 -4.54 0.15 4.77 -0.53 -4.93 117.00 111.16 3iml n LEU 219 Ca -0.03 -0.96 -0.41 0.00 -0.03 0.00 0.00 56.01 54.57 3iml n LEU 219 Cb 0.09 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.09 3iml n LEU 219 CO 0.23 0.44 0.12 -0.63 -1.33 0.00 0.00 177.39 176.23 3iml s ILE 220 N -1.78 5.09 0.34 -0.08 1.01 -1.02 -1.83 121.20 122.94 3iml s ILE 220 Ca 0.23 0.07 0.03 0.00 0.00 0.00 0.00 60.65 60.98 3iml s ILE 220 Cb 0.17 -3.92 -0.04 0.00 0.01 0.00 0.00 42.46 38.67 3iml s ILE 220 CO 0.29 -0.22 0.11 -0.54 0.00 0.00 0.00 174.94 174.59 3iml s LYS 221 N 2.19 1.71 0.53 2.79 1.02 -1.26 -5.04 119.74 121.68 3iml s LYS 221 Ca 0.14 -1.99 0.23 0.00 0.02 0.00 0.00 55.97 54.37 3iml s LYS 221 Cb -0.16 -0.50 1.37 0.00 -0.52 0.00 0.00 37.83 38.01 3iml s LYS 221 CO 0.13 -0.37 2.03 0.78 -0.92 0.00 0.00 175.35 177.00 3iml h GLY 222 N 2.05 0.00 -3.35 -3.33 0.00 -1.98 -2.62 103.07 93.84 3iml h GLY 222 Ca -0.37 0.00 -0.35 0.00 0.00 0.00 0.00 47.33 46.61 3iml h GLY 222 CO 0.59 0.00 0.45 2.09 0.00 0.00 0.00 176.54 179.67 3iml n ASP 223 N -4.42 4.54 -4.67 0.19 3.85 -1.26 -4.94 116.55 109.85 3iml n ASP 223 Ca 0.07 -3.07 -0.39 0.00 -0.71 0.00 0.00 54.79 50.68 3iml n ASP 223 Cb 0.48 -0.82 -0.07 0.00 -1.35 0.00 0.00 41.12 39.36 3iml n ASP 223 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.20 175.68 3iml s ILE 224 N -2.33 5.14 -0.23 2.12 2.07 -0.99 -4.77 121.20 122.21 3iml s ILE 224 Ca 0.37 0.89 -0.07 0.00 -1.41 0.00 0.00 60.65 60.42 3iml s ILE 224 Cb 0.30 -3.81 -0.03 0.00 0.13 0.00 0.00 42.46 39.05 3iml s ILE 224 CO 0.04 0.21 0.07 -0.54 -1.91 0.00 0.00 174.94 172.81 3iml s LYS 225 N 1.49 3.77 -0.32 3.50 3.01 -0.04 -5.02 119.74 126.13 3iml s LYS 225 Ca 0.23 -0.43 -0.10 0.00 -1.01 0.00 0.00 55.97 54.66 3iml s LYS 225 Cb -0.15 -3.30 -0.00 0.00 -1.01 0.00 0.00 37.83 33.37 3iml s LYS 225 CO 0.09 -0.03 0.17 -0.06 0.51 0.00 0.00 175.35 176.03 3iml s PHE 226 N 1.21 3.19 -0.33 3.18 0.08 -1.26 -1.78 117.98 122.27 3iml s PHE 226 Ca 0.05 -0.59 -0.06 0.00 0.12 0.00 0.00 56.93 56.45 3iml s PHE 226 Cb -0.14 -2.38 0.04 0.00 -0.57 0.00 0.00 43.02 39.96 3iml s PHE 226 CO 0.04 -0.47 0.09 -0.51 -0.10 0.00 0.00 175.22 174.26 3iml s LEU 227 N 1.62 4.21 -0.13 -0.37 1.43 -0.79 -5.03 118.68 119.61 3iml s LEU 227 Ca 0.04 -1.12 -0.02 0.00 -1.03 0.00 0.00 54.13 52.00 3iml s LEU 227 Cb -0.17 -1.85 -0.02 0.00 0.03 0.00 0.00 46.19 44.18 3iml s LEU 227 CO 0.07 -0.30 -0.07 -0.69 0.23 0.00 0.00 176.35 175.58 3iml s VAL 228 N 1.39 3.59 -1.02 -1.59 1.01 -1.26 -1.58 120.40 120.94 3iml s VAL 228 Ca -0.02 -0.48 -0.16 0.00 0.00 0.00 0.00 61.98 61.32 3iml s VAL 228 Cb -0.19 -2.54 0.02 0.00 0.00 0.00 0.00 36.38 33.66 3iml s VAL 228 CO 0.02 0.52 0.67 0.59 0.00 0.00 0.00 175.10 176.90 3iml n ASN 229 N 3.34 -4.87 0.13 3.32 4.13 -0.73 -4.88 115.26 115.70 3iml n ASN 229 Ca -0.18 -1.04 0.05 0.00 1.68 0.00 0.00 54.58 55.09 3iml n ASN 229 Cb 0.53 -2.18 0.51 0.00 -1.54 0.00 0.00 39.78 37.09 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 -1.37 0.26 -0.84 3.52 0.13 -1.86 -2.19 132.00 129.64 3iml h PRO 230 Ca -0.63 -0.02 -0.25 0.00 -0.87 0.00 0.00 66.00 64.22 3iml h PRO 230 Cb 1.37 -0.05 -0.15 0.00 0.13 0.00 0.00 31.00 32.30 3iml h PRO 230 CO 0.44 0.21 0.32 0.25 -0.23 0.00 0.00 178.00 178.99 3iml n THR 231 N -4.46 2.72 -3.61 1.56 -2.24 -1.26 -5.05 114.28 101.93 3iml n THR 231 Ca -0.00 -1.48 0.00 0.00 -2.27 0.00 0.00 64.05 60.30 3iml n THR 231 Cb 0.11 -0.44 0.00 0.00 -2.10 0.00 0.00 70.33 67.91 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 -0.28 0.02 3.77 3.38 0.00 -0.82 -4.90 105.19 106.35 3iml n GLY 232 Ca 0.40 -1.10 -0.41 0.00 0.00 0.00 0.00 46.02 44.92 3iml n GLY 232 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3iml s ARG 233 N 0.00 4.22 -0.43 1.61 3.03 -1.26 -4.89 118.95 121.23 3iml s ARG 233 Ca 0.00 2.41 0.06 0.00 2.03 0.00 0.00 55.73 60.23 3iml s ARG 233 Cb 0.00 -3.02 0.20 0.00 -1.03 0.00 0.00 34.95 31.11 3iml s ARG 233 CO 0.00 -0.38 0.43 0.34 -1.13 0.00 0.00 175.30 174.56 3iml n PHE 234 N 0.67 -0.31 -0.07 5.89 -0.00 -1.26 -4.95 117.46 117.43 3iml n PHE 234 Ca 0.01 -3.49 -0.19 0.00 -0.00 0.00 0.00 57.45 53.78 3iml n PHE 234 Cb 0.40 -0.04 -0.13 0.00 -0.00 0.00 0.00 39.48 39.71 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 2.19 1.61 -3.58 -2.13 0.31 -1.26 -0.88 118.33 114.59 3iml n VAL 235 Ca 0.26 -0.62 -0.37 0.00 -0.01 0.00 0.00 64.34 63.61 3iml n VAL 235 Cb 0.49 -1.53 -0.08 0.00 -0.91 0.00 0.00 33.84 31.81 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 -2.54 5.32 0.35 2.52 1.01 -1.26 -4.62 121.20 121.98 3iml s ILE 236 Ca -0.29 0.40 0.02 0.00 0.00 0.00 0.00 60.65 60.79 3iml s ILE 236 Cb 0.08 -3.58 -0.01 0.00 0.01 0.00 0.00 42.46 38.96 3iml s ILE 236 CO 0.68 0.35 0.41 0.61 0.00 0.00 0.00 174.94 176.99 3iml n GLY 237 N 3.81 2.44 7.00 6.18 0.00 -1.26 -4.79 105.19 118.57 3iml n GLY 237 Ca -0.13 -1.74 0.00 0.00 0.00 0.00 0.00 46.02 44.15 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 -0.61 -0.37 0.39 -0.02 0.00 -1.26 -3.60 105.19 99.72 3iml n GLY 238 Ca 0.04 -1.06 0.19 0.00 0.00 0.00 0.00 46.02 45.19 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 0.49 -0.02 1.61 0.11 -1.84 -1.44 132.00 130.91 3iml h PRO 239 Ca 0.00 -0.03 0.01 0.00 0.11 0.00 0.00 66.00 66.09 3iml h PRO 239 Cb 0.00 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 31.00 3iml h PRO 239 CO 0.00 0.32 0.03 1.96 -0.21 0.00 0.00 178.00 180.10 3iml h GLN 240 N 0.51 0.00 0.00 1.05 7.50 -1.77 -2.75 115.11 119.64 3iml h GLN 240 Ca 0.55 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.70 3iml h GLN 240 Cb 1.23 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.76 3iml h GLN 240 CO -0.29 0.00 -1.66 0.41 -1.50 0.00 0.00 178.83 175.79 3iml n GLY 241 N -1.31 -0.84 3.64 3.46 0.00 -0.57 -4.73 105.19 104.84 3iml n GLY 241 Ca -0.02 -0.47 -0.03 0.00 0.00 0.00 0.00 46.02 45.50 3iml n GLY 241 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3iml s ASP 242 N -3.89 -0.36 0.29 1.61 2.15 -1.04 -5.02 116.67 110.41 3iml s ASP 242 Ca -0.04 0.61 -0.30 0.00 0.43 0.00 0.00 52.55 53.25 3iml s ASP 242 Cb 0.13 1.00 -0.11 0.00 -0.30 0.00 0.00 42.92 43.64 3iml s ASP 242 CO 0.78 -0.10 1.51 0.00 -0.17 0.00 0.00 175.17 177.20 3iml s GLY 244 N 0.32 1.14 0.05 0.00 0.00 -0.30 -4.70 107.32 103.83 3iml s GLY 244 Ca 0.60 -1.05 0.04 0.00 0.00 0.00 0.00 44.72 44.31 3iml s GLY 244 CO 0.48 -0.94 -0.12 1.08 0.00 0.00 0.00 173.10 173.61 3iml s LEU 245 N -0.95 2.22 0.34 0.66 1.02 -1.26 -0.93 118.68 119.78 3iml s LEU 245 Ca 0.08 -0.52 -0.29 0.00 0.02 0.00 0.00 54.13 53.43 3iml s LEU 245 Cb -0.09 -0.45 -0.10 0.00 0.02 0.00 0.00 46.19 45.57 3iml s LEU 245 CO 0.01 -0.06 1.38 -0.89 0.02 0.00 0.00 176.35 176.80 3iml s THR 246 N -1.08 2.51 -0.19 5.49 2.01 -0.39 -3.69 115.64 120.30 3iml s THR 246 Ca -0.02 0.50 0.00 0.00 0.31 0.00 0.00 61.69 62.48 3iml s THR 246 Cb -0.09 -3.32 0.00 0.00 0.01 0.00 0.00 72.50 69.10 3iml s THR 246 CO 0.01 0.12 0.00 0.61 -0.69 0.00 0.00 174.62 174.67 3iml n GLY 247 N 0.86 0.40 0.55 4.40 0.00 -1.26 -4.91 105.19 105.22 3iml n GLY 247 Ca 0.01 -0.90 0.05 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 -2.00 2.84 -2.49 1.61 5.12 -1.24 -4.44 116.66 116.06 3iml n ARG 248 Ca -0.02 -2.12 -0.15 0.00 -1.93 0.00 0.00 57.85 53.63 3iml n ARG 248 Cb 0.31 -1.33 0.02 0.00 -1.16 0.00 0.00 32.46 30.30 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 0.08 2.53 0.16 5.56 4.76 -1.26 -4.89 118.16 125.10 3iml n LYS 249 Ca 0.11 -3.88 0.03 0.00 -2.87 0.00 0.00 58.31 51.71 3iml n LYS 249 Cb 0.49 -1.87 0.24 0.00 -1.84 0.00 0.00 35.03 32.05 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 3.32 1.04 0.05 -0.18 3.07 -1.96 0.10 117.51 122.95 3iml h ILE 250 Ca 0.12 -1.83 -0.16 0.00 1.55 0.00 0.00 64.86 64.53 3iml h ILE 250 Cb 1.23 2.08 0.02 0.00 -0.27 0.00 0.00 36.82 39.88 3iml h ILE 250 CO 0.58 0.46 -0.66 0.40 -1.05 0.00 0.00 178.15 177.88 3iml h ILE 251 N 0.00 1.46 -0.91 0.16 1.08 -1.96 -3.03 117.51 114.31 3iml h ILE 251 Ca -0.00 -2.24 0.12 0.00 -0.39 0.00 0.00 64.86 62.35 3iml h ILE 251 Cb 1.05 2.82 -0.07 0.00 -3.07 0.00 0.00 36.82 37.54 3iml h ILE 251 CO 0.06 0.64 0.58 0.58 -0.69 0.00 0.00 178.15 179.33 3iml h VAL 252 N -0.21 0.92 0.00 1.67 2.07 -1.78 -1.29 116.25 117.62 3iml h VAL 252 Ca -0.10 -0.29 -0.00 0.00 0.82 0.00 0.00 66.70 67.14 3iml h VAL 252 Cb 1.42 0.01 -0.00 0.00 -1.52 0.00 0.00 31.29 31.19 3iml h VAL 252 CO 0.13 0.15 -0.00 0.44 0.02 0.00 0.00 177.57 178.31 3iml h ASP 253 N 0.84 0.00 0.00 0.57 3.32 -0.76 -3.41 116.42 116.97 3iml h ASP 253 Ca 0.44 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.49 3iml h ASP 253 Cb 0.52 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.07 3iml h ASP 253 CO -0.20 0.00 0.00 0.35 -1.72 0.00 0.00 179.24 177.67 3iml n THR 254 N -3.10 0.00 -0.02 0.35 -2.24 -0.76 -1.71 114.28 106.80 3iml n THR 254 Ca -0.01 0.00 0.01 0.00 -2.27 0.00 0.00 64.05 61.78 3iml n THR 254 Cb 0.21 -0.00 0.03 0.00 -2.10 0.00 0.00 70.33 68.46 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 0.08 -2.17 4.78 4.01 -1.19 -4.71 117.16 117.96 3iml n TYR 255 Ca 0.00 -0.47 -0.20 0.00 -0.16 0.00 0.00 57.90 57.06 3iml n TYR 255 Cb 0.00 -0.04 -0.03 0.00 -0.31 0.00 0.00 39.34 38.95 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 -0.30 0.20 0.00 2.72 0.00 -0.56 -2.44 105.19 104.80 3iml n GLY 256 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.82 0.32 0.08 -0.02 0.00 -1.26 -4.51 105.19 98.97 3iml n GLY 257 Ca -0.23 0.00 0.13 0.00 0.00 0.00 0.00 46.02 45.92 3iml n GLY 257 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iml n ALA 258 N -1.61 2.18 -2.72 4.61 0.00 -1.02 -4.85 120.51 117.10 3iml n ALA 258 Ca 0.00 -0.03 -0.09 0.00 0.00 0.00 0.00 53.44 53.33 3iml n ALA 258 Cb 0.00 -1.45 -0.11 0.00 0.00 0.00 0.00 19.45 17.90 3iml n ALA 258 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3iml s ALA 259 N -3.10 0.21 0.98 0.00 0.00 -1.26 -5.11 121.76 113.47 3iml s ALA 259 Ca 0.10 -0.75 -0.11 0.00 0.00 0.00 0.00 51.96 51.20 3iml s ALA 259 Cb 0.13 0.19 0.18 0.00 0.00 0.00 0.00 23.12 23.62 3iml s ALA 259 CO 0.54 -0.23 1.09 -1.25 0.00 0.00 0.00 175.76 175.91 3iml s PRO 260 N -2.22 0.53 0.03 0.00 0.04 -1.26 -4.91 135.00 127.21 3iml s PRO 260 Ca -0.09 1.12 0.03 0.00 0.04 0.00 0.00 61.00 62.10 3iml s PRO 260 Cb -0.04 -1.70 -0.02 0.00 0.04 0.00 0.00 34.50 32.78 3iml s PRO 260 CO -0.04 -2.83 -0.10 -1.58 0.04 0.00 0.00 177.00 172.50 3iml s HIS 261 N -2.68 0.88 -0.57 0.56 2.46 -1.26 -4.77 115.29 109.91 3iml s HIS 261 Ca 0.66 -0.35 0.24 0.00 0.47 0.00 0.00 55.06 56.09 3iml s HIS 261 Cb -0.22 -0.53 0.55 0.00 -0.13 0.00 0.00 32.58 32.26 3iml s HIS 261 CO 0.60 -0.01 1.68 0.78 -2.47 0.00 0.00 174.74 175.31 3iml h GLY 262 N 5.00 0.00 0.00 1.59 0.00 -1.91 -3.48 103.07 104.26 3iml h GLY 262 Ca -0.35 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.98 3iml h GLY 262 CO 0.44 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.59 3iml n GLY 263 N 1.20 2.71 3.71 4.60 0.00 -1.26 -4.57 105.19 111.58 3iml n GLY 263 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.43 2.65 0.63 -0.02 0.00 -1.26 -5.04 107.32 101.85 3iml s GLY 264 Ca 0.00 0.70 -0.16 0.00 0.00 0.00 0.00 44.72 45.27 3iml s GLY 264 CO 0.00 1.87 1.10 0.00 0.00 0.00 0.00 173.10 176.07 3iml s ALA 265 N 1.01 2.57 -0.25 3.20 0.00 -1.26 -4.92 121.76 122.11 3iml s ALA 265 Ca 0.55 0.52 -0.07 0.00 0.00 0.00 0.00 51.96 52.96 3iml s ALA 265 Cb -0.26 -3.29 -0.16 0.00 0.00 0.00 0.00 23.12 19.41 3iml s ALA 265 CO 0.29 -1.09 -0.20 1.19 0.00 0.00 0.00 175.76 175.95 3iml n PHE 266 N -2.20 0.19 -2.43 0.00 3.72 -1.26 -4.55 117.46 110.93 3iml n PHE 266 Ca 0.10 0.06 -0.39 0.00 -0.05 0.00 0.00 57.45 57.16 3iml n PHE 266 Cb 0.52 -1.02 -0.04 0.00 -0.94 0.00 0.00 39.48 38.00 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 -7.00 7.05 0.00 4.37 0.01 -1.26 -2.77 113.70 114.09 3iml s SER 267 Ca -0.35 2.28 0.00 0.00 1.31 0.00 0.00 55.95 59.19 3iml s SER 267 Cb 0.11 -2.62 0.00 0.00 0.21 0.00 0.00 66.02 63.72 3iml s SER 267 CO 0.57 -0.30 0.00 0.61 0.41 0.00 0.00 173.24 174.53 3iml n GLY 268 N 0.95 1.01 3.41 3.44 0.00 -1.26 -4.77 105.19 107.99 3iml n GLY 268 Ca 0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.50 3.53 0.93 1.61 1.02 -1.12 0.29 119.74 125.50 3iml s LYS 269 Ca 0.00 -0.58 -0.12 0.00 0.02 0.00 0.00 55.97 55.29 3iml s LYS 269 Cb 0.00 -2.90 0.15 0.00 -0.52 0.00 0.00 37.83 34.55 3iml s LYS 269 CO 0.00 0.09 1.09 0.16 -0.92 0.00 0.00 175.35 175.77 3iml s ASP 270 N 0.75 3.21 0.00 2.83 -4.77 -0.90 -4.92 116.67 112.87 3iml s ASP 270 Ca -0.02 1.38 0.21 0.00 -3.30 0.00 0.00 52.55 50.82 3iml s ASP 270 Cb -0.15 -2.05 1.27 0.00 -1.09 0.00 0.00 42.92 40.90 3iml s ASP 270 CO 0.02 -2.79 1.68 -2.65 0.70 0.00 0.00 175.17 172.13 3iml n PRO 271 N -3.97 0.75 0.12 2.11 -0.02 -1.26 -1.81 135.00 130.91 3iml n PRO 271 Ca 0.06 0.00 0.13 0.00 -2.02 0.00 0.00 63.50 61.67 3iml n PRO 271 Cb 0.56 -1.44 0.41 0.00 -0.02 0.00 0.00 33.50 33.01 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 -3.49 2.55 4.64 -1.92 -3.41 113.55 111.92 3iml h SER 272 Ca 0.00 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.75 3iml h SER 272 Cb 0.00 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.02 3iml h SER 272 CO 0.00 0.00 0.80 -0.54 -0.87 0.00 0.00 176.83 176.22 3iml s LYS 273 N -3.14 3.89 0.55 4.77 -0.14 -0.75 -4.53 119.74 120.37 3iml s LYS 273 Ca 0.09 0.76 0.23 0.00 -1.36 0.00 0.00 55.97 55.70 3iml s LYS 273 Cb 0.11 -3.81 1.44 0.00 -1.68 0.00 0.00 37.83 33.89 3iml s LYS 273 CO 0.57 -1.07 2.08 -0.39 -0.76 0.00 0.00 175.35 175.78 3iml h VAL 274 N 5.92 0.74 -1.03 3.17 -1.51 -1.89 -1.65 116.25 120.00 3iml h VAL 274 Ca -0.22 0.00 0.31 0.00 -1.23 0.00 0.00 66.70 65.56 3iml h VAL 274 Cb 1.07 0.86 -0.14 0.00 -2.13 0.00 0.00 31.29 30.95 3iml h VAL 274 CO 1.05 0.00 0.60 0.44 -1.23 0.00 0.00 177.57 178.43 3iml h ASP 275 N 0.00 0.53 0.00 4.19 3.32 -1.91 0.11 116.42 122.66 3iml h ASP 275 Ca 0.12 0.17 -0.08 0.00 0.02 0.00 0.00 57.03 57.25 3iml h ASP 275 Cb 0.51 0.10 -0.01 0.00 0.22 0.00 0.00 39.33 40.15 3iml h ASP 275 CO -0.00 -0.07 -1.07 -1.14 -1.72 0.00 0.00 179.24 175.25 3iml n ARG 276 N -4.95 0.52 -0.36 3.56 0.63 -0.68 -4.06 116.66 111.31 3iml n ARG 276 Ca 0.31 0.36 0.04 0.00 -0.92 0.00 0.00 57.85 57.63 3iml n ARG 276 Cb 0.95 -1.56 0.20 0.00 0.45 0.00 0.00 32.46 32.51 3iml n ARG 276 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 3iml h SER 277 N -1.00 0.98 0.25 6.15 4.64 -1.24 -0.81 113.55 122.51 3iml h SER 277 Ca -0.13 0.03 -0.20 0.00 -0.47 0.00 0.00 61.79 61.02 3iml h SER 277 Cb 0.95 -0.18 -0.00 0.00 -0.31 0.00 0.00 62.40 62.86 3iml h SER 277 CO -0.08 0.58 -0.80 0.00 -0.87 0.00 0.00 176.83 175.67 3iml h ALA 278 N 1.48 0.50 -0.50 5.18 0.00 -1.01 -0.67 119.26 124.25 3iml h ALA 278 Ca 0.45 -0.64 -0.11 0.00 0.00 0.00 0.00 54.91 54.61 3iml h ALA 278 Cb 0.30 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 3iml h ALA 278 CO -0.21 0.77 -0.13 0.00 0.00 0.00 0.00 179.25 179.68 3iml h ALA 279 N 0.85 0.82 -0.36 0.00 0.00 -1.54 0.18 119.26 119.20 3iml h ALA 279 Ca -0.05 -0.35 -0.05 0.00 0.00 0.00 0.00 54.91 54.46 3iml h ALA 279 Cb 1.39 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 3iml h ALA 279 CO 0.14 0.66 0.04 1.88 0.00 0.00 0.00 179.25 181.97 3iml h TYR 280 N 0.84 0.65 -0.57 0.00 -1.99 -1.10 -1.42 116.97 113.39 3iml h TYR 280 Ca 0.13 -0.10 -0.04 0.00 2.00 0.00 0.00 58.73 60.72 3iml h TYR 280 Cb 0.68 -0.18 -0.03 0.00 2.00 0.00 0.00 36.73 39.20 3iml h TYR 280 CO 0.04 0.68 0.17 0.00 -0.00 0.00 0.00 178.16 179.05 3iml h ALA 281 N 0.89 1.24 -0.48 3.88 0.00 -1.04 -1.55 119.26 122.20 3iml h ALA 281 Ca 0.11 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 54.86 3iml h ALA 281 Cb 0.39 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 3iml h ALA 281 CO 0.01 0.54 0.26 0.78 0.00 0.00 0.00 179.25 180.84 3iml h GLY 282 N 0.97 0.68 0.95 0.00 0.00 -0.26 0.78 103.07 106.19 3iml h GLY 282 Ca 0.19 -0.19 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 3iml h GLY 282 CO -0.01 0.14 0.03 -0.09 0.00 0.00 0.00 176.54 176.61 3iml h ARG 283 N 0.52 0.06 -0.48 4.80 9.65 -0.91 0.40 114.38 128.42 3iml h ARG 283 Ca 0.20 -0.01 0.10 0.00 -1.10 0.00 0.00 59.98 59.17 3iml h ARG 283 Cb 0.08 -0.01 -0.10 0.00 -1.39 0.00 0.00 29.97 28.54 3iml h ARG 283 CO -0.12 0.10 -0.24 -0.92 2.80 0.00 0.00 179.97 181.59 3iml h TYR 284 N 0.00 -0.61 0.75 2.20 3.20 -0.93 0.24 116.97 121.82 3iml h TYR 284 Ca 0.02 0.05 -0.04 0.00 3.14 0.00 0.00 58.73 61.90 3iml h TYR 284 Cb 0.05 0.34 0.01 0.00 1.54 0.00 0.00 36.73 38.67 3iml h TYR 284 CO -0.06 -0.32 -0.36 0.28 -1.64 0.00 0.00 178.16 176.07 3iml h VAL 285 N -0.13 0.17 -0.57 1.81 2.07 -0.56 -0.94 116.25 118.11 3iml h VAL 285 Ca 0.22 -0.16 0.10 0.00 0.82 0.00 0.00 66.70 67.68 3iml h VAL 285 Cb 0.48 0.21 -0.08 0.00 -1.52 0.00 0.00 31.29 30.38 3iml h VAL 285 CO -0.56 0.01 0.14 0.00 0.02 0.00 0.00 177.57 177.18 3iml h ALA 286 N -0.98 0.68 -0.48 1.67 0.00 -0.72 -0.08 119.26 119.35 3iml h ALA 286 Ca -0.10 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 3iml h ALA 286 Cb 0.79 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 3iml h ALA 286 CO 0.17 -0.28 0.23 -0.22 0.00 0.00 0.00 179.25 179.14 3iml h LYS 287 N 0.28 0.70 -0.14 0.00 3.64 -0.47 -2.44 116.57 118.14 3iml h LYS 287 Ca 0.29 -0.11 -0.06 0.00 -1.27 0.00 0.00 60.65 59.50 3iml h LYS 287 Cb 0.40 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.09 3iml h LYS 287 CO -0.36 0.60 -0.21 -0.91 -2.27 0.00 0.00 179.45 176.30 3iml h ASN 288 N 0.64 0.22 -0.60 4.20 2.35 -0.39 -0.19 115.58 121.82 3iml h ASN 288 Ca 0.17 -0.06 -0.07 0.00 -0.55 0.00 0.00 56.30 55.79 3iml h ASN 288 Cb 0.13 -0.06 -0.02 0.00 0.05 0.00 0.00 38.32 38.42 3iml h ASN 288 CO -0.02 0.45 0.09 0.40 -1.65 0.00 0.00 177.43 176.70 3iml h ILE 289 N 0.21 1.26 0.03 2.81 2.04 -0.70 -0.41 117.51 122.75 3iml h ILE 289 Ca 0.04 -1.00 -0.24 0.00 1.00 0.00 0.00 64.86 64.66 3iml h ILE 289 Cb 0.50 0.75 0.02 0.00 -0.74 0.00 0.00 36.82 37.34 3iml h ILE 289 CO 0.03 0.37 -0.95 0.58 0.00 0.00 0.00 178.15 178.18 3iml h VAL 290 N 0.89 1.33 0.00 1.67 2.07 -1.16 -2.23 116.25 118.82 3iml h VAL 290 Ca 0.18 -2.26 -0.04 0.00 0.82 0.00 0.00 66.70 65.40 3iml h VAL 290 Cb 0.43 2.55 -0.01 0.00 -1.52 0.00 0.00 31.29 32.74 3iml h VAL 290 CO 0.01 0.68 -0.21 0.00 0.02 0.00 0.00 177.57 178.08 3iml h ALA 291 N 0.34 1.12 0.00 1.67 0.00 -1.05 -2.02 119.26 119.32 3iml h ALA 291 Ca -0.13 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.57 3iml h ALA 291 Cb 1.64 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.39 3iml h ALA 291 CO 0.19 0.26 -0.10 0.00 0.00 0.00 0.00 179.25 179.60 3iml h ALA 292 N 1.79 1.07 0.00 0.00 0.00 -1.03 -3.47 119.26 117.62 3iml h ALA 292 Ca -0.00 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3iml h ALA 292 Cb 0.60 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.38 3iml h ALA 292 CO 0.03 0.12 0.00 0.41 0.00 0.00 0.00 179.25 179.81 3iml n GLY 293 N -0.19 0.73 0.15 0.00 0.00 -0.76 -4.52 105.19 100.60 3iml n GLY 293 Ca -0.00 -0.15 0.02 0.00 0.00 0.00 0.00 46.02 45.88 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 -7.33 0.99 3.38 -1.61 -3.45 115.31 107.29 3iml h LEU 294 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 3iml h LEU 294 Cb 0.00 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 40.65 3iml h LEU 294 CO 0.00 0.55 0.17 0.00 0.09 0.00 0.00 178.44 179.25 3iml s ALA 295 N -3.30 -1.38 -0.13 1.53 0.00 -1.24 -1.20 121.76 116.03 3iml s ALA 295 Ca 0.01 0.19 0.19 0.00 0.00 0.00 0.00 51.96 52.35 3iml s ALA 295 Cb 0.10 0.86 -0.18 0.00 0.00 0.00 0.00 23.12 23.91 3iml s ALA 295 CO 0.74 -0.82 0.66 -1.13 0.00 0.00 0.00 175.76 175.20 3iml n SER 296 N -0.38 0.52 -3.91 0.00 3.41 -1.26 -4.37 113.62 107.63 3iml n SER 296 Ca -0.13 0.22 -0.10 0.00 -0.26 0.00 0.00 58.87 58.60 3iml n SER 296 Cb 0.63 0.78 -0.10 0.00 -0.26 0.00 0.00 64.21 65.26 3iml n SER 296 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3iml s ARG 297 N -3.07 0.51 -0.14 4.33 1.70 -1.26 -1.49 118.95 119.54 3iml s ARG 297 Ca -0.05 -0.58 -0.06 0.00 -0.47 0.00 0.00 55.73 54.58 3iml s ARG 297 Cb 0.10 0.20 0.06 0.00 -0.57 0.00 0.00 34.95 34.74 3iml s ARG 297 CO 0.83 -0.12 0.30 0.00 -1.08 0.00 0.00 175.30 175.23 3iml s ALA 298 N -1.93 -0.72 -0.12 7.88 0.00 -0.47 -4.38 121.76 122.03 3iml s ALA 298 Ca -0.11 1.13 0.02 0.00 0.00 0.00 0.00 51.96 52.99 3iml s ALA 298 Cb -0.05 -0.95 -0.01 0.00 0.00 0.00 0.00 23.12 22.11 3iml s ALA 298 CO -0.01 -0.49 -0.18 -1.17 0.00 0.00 0.00 175.76 173.91 3iml s LEU 299 N 2.00 2.40 -0.11 0.00 2.96 0.63 -1.97 118.68 124.59 3iml s LEU 299 Ca -0.04 -0.46 0.03 0.00 -0.22 0.00 0.00 54.13 53.45 3iml s LEU 299 Cb -0.11 -1.52 0.01 0.00 0.50 0.00 0.00 46.19 45.07 3iml s LEU 299 CO -0.10 0.14 -0.22 -0.51 -1.32 0.00 0.00 176.35 174.34 3iml s ILE 300 N 0.47 2.00 -0.14 6.68 2.07 -0.24 0.31 121.20 132.33 3iml s ILE 300 Ca -0.13 -0.96 -0.06 0.00 -1.41 0.00 0.00 60.65 58.09 3iml s ILE 300 Cb -0.17 -1.75 -0.04 0.00 0.13 0.00 0.00 42.46 40.64 3iml s ILE 300 CO 0.05 0.54 0.07 -1.58 -1.91 0.00 0.00 174.94 172.11 3iml s GLN 301 N 0.57 3.62 0.21 3.50 0.74 -0.01 -0.62 119.66 127.67 3iml s GLN 301 Ca -0.14 -0.30 0.10 0.00 0.05 0.00 0.00 55.36 55.07 3iml s GLN 301 Cb -0.17 -3.11 -0.05 0.00 1.10 0.00 0.00 33.01 30.78 3iml s GLN 301 CO 0.04 0.50 -0.19 0.08 -0.55 0.00 0.00 175.29 175.16 3iml s VAL 302 N -0.26 2.09 0.08 1.34 1.01 0.46 -1.13 120.40 123.99 3iml s VAL 302 Ca 0.08 -2.11 -0.10 0.00 0.00 0.00 0.00 61.98 59.85 3iml s VAL 302 Cb -0.12 -2.05 0.00 0.00 0.00 0.00 0.00 36.38 34.21 3iml s VAL 302 CO 0.01 -0.34 0.21 -0.94 0.00 0.00 0.00 175.10 174.04 3iml s SER 303 N -2.98 0.07 0.03 3.32 1.04 -0.85 -0.37 113.70 113.96 3iml s SER 303 Ca 0.21 -0.55 0.02 0.00 0.48 0.00 0.00 55.95 56.11 3iml s SER 303 Cb -0.05 0.34 -0.02 0.00 0.10 0.00 0.00 66.02 66.39 3iml s SER 303 CO 0.09 -0.70 -0.07 -0.31 0.98 0.00 0.00 173.24 173.24 3iml s TYR 304 N -3.54 0.62 -0.06 5.02 2.02 -0.06 -1.18 117.35 120.16 3iml s TYR 304 Ca 0.02 -0.44 -0.01 0.00 -0.37 0.00 0.00 57.07 56.28 3iml s TYR 304 Cb 0.03 -0.37 -0.03 0.00 -0.40 0.00 0.00 41.96 41.18 3iml s TYR 304 CO -0.09 -0.08 0.01 0.00 -1.57 0.00 0.00 175.55 173.82 3iml s ALA 305 N -1.18 3.34 0.17 3.71 0.00 -1.26 -2.04 121.76 124.50 3iml s ALA 305 Ca -0.08 -0.83 -0.33 0.00 0.00 0.00 0.00 51.96 50.71 3iml s ALA 305 Cb -0.09 -1.48 -0.13 0.00 0.00 0.00 0.00 23.12 21.42 3iml s ALA 305 CO 0.00 0.61 1.65 1.51 0.00 0.00 0.00 175.76 179.53 3iml n ILE 306 N 1.89 0.02 -0.97 0.00 3.06 -1.25 -2.25 119.36 119.86 3iml n ILE 306 Ca -0.17 -0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.07 3iml n ILE 306 Cb 0.53 -1.74 0.00 0.00 0.54 0.00 0.00 39.64 38.97 3iml n ILE 306 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 3iml n GLY 307 N 3.68 0.48 3.01 4.50 0.00 0.84 -4.87 105.19 112.84 3iml n GLY 307 Ca 0.17 -0.33 -0.25 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.00 1.18 -0.08 1.61 1.01 -0.96 -4.54 120.40 116.61 3iml s VAL 308 Ca 0.00 -0.48 -0.27 0.00 0.00 0.00 0.00 61.98 61.23 3iml s VAL 308 Cb 0.00 -1.09 -0.24 0.00 0.00 0.00 0.00 36.38 35.06 3iml s VAL 308 CO 0.00 0.37 0.99 0.00 0.00 0.00 0.00 175.10 176.46 3iml h ALA 309 N 7.18 0.01 -2.75 5.51 0.00 -1.82 -2.50 119.26 124.89 3iml h ALA 309 Ca -0.31 -0.40 -0.51 0.00 0.00 0.00 0.00 54.91 53.70 3iml h ALA 309 Cb 1.18 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.98 3iml h ALA 309 CO 0.47 -0.08 0.46 -2.00 0.00 0.00 0.00 179.25 178.10 3iml s GLU 310 N -3.11 4.65 0.25 0.00 2.56 -1.26 -4.15 118.70 117.65 3iml s GLU 310 Ca -0.17 1.73 -0.30 0.00 0.00 0.00 0.00 54.97 56.22 3iml s GLU 310 Cb -0.01 -3.23 -0.14 0.00 2.00 0.00 0.00 34.13 32.75 3iml s GLU 310 CO 0.69 0.21 1.28 -2.30 -0.56 0.00 0.00 175.26 174.58 3iml n PRO 311 N 1.63 1.78 0.25 4.30 -0.02 -1.26 -4.75 135.00 136.92 3iml n PRO 311 Ca 0.00 0.63 0.08 0.00 -2.02 0.00 0.00 63.50 62.19 3iml n PRO 311 Cb 0.46 -2.20 0.62 0.00 -0.02 0.00 0.00 33.50 32.35 3iml n PRO 311 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 3iml h THR 312 N 2.73 0.97 -2.83 3.45 1.35 -1.48 -3.45 112.91 113.66 3iml h THR 312 Ca -0.44 -0.31 -0.08 0.00 -0.55 0.00 0.00 66.41 65.03 3iml h THR 312 Cb 1.30 1.17 -0.17 0.00 -1.73 0.00 0.00 68.15 68.72 3iml h THR 312 CO 0.70 0.09 -0.06 -0.94 -0.25 0.00 0.00 175.52 175.06 3iml s SER 313 N -6.87 -0.36 -0.04 5.36 1.04 -1.23 -5.00 113.70 106.61 3iml s SER 313 Ca -0.04 0.15 -0.02 0.00 0.48 0.00 0.00 55.95 56.51 3iml s SER 313 Cb 0.16 0.44 0.02 0.00 0.10 0.00 0.00 66.02 66.74 3iml s SER 313 CO 0.66 -0.63 0.10 -0.69 0.98 0.00 0.00 173.24 173.65 3iml s VAL 314 N -2.11 -0.02 -0.02 5.02 1.01 -1.26 -2.00 120.40 121.01 3iml s VAL 314 Ca -0.07 0.09 -0.08 0.00 0.00 0.00 0.00 61.98 61.91 3iml s VAL 314 Cb -0.01 -0.15 0.01 0.00 0.00 0.00 0.00 36.38 36.22 3iml s VAL 314 CO 0.01 0.04 0.18 0.00 0.00 0.00 0.00 175.10 175.32 3iml s MET 315 N 0.55 0.45 -0.09 2.72 0.23 -0.28 -5.00 119.30 117.87 3iml s MET 315 Ca -0.04 -0.20 0.04 0.00 -1.03 0.00 0.00 55.69 54.46 3iml s MET 315 Cb -0.06 0.19 -0.01 0.00 -1.53 0.00 0.00 34.83 33.43 3iml s MET 315 CO -0.02 -0.10 -0.22 0.08 -2.03 0.00 0.00 175.02 172.73 3iml s VAL 316 N -1.00 2.29 -0.14 5.16 1.01 -1.26 -0.83 120.40 125.63 3iml s VAL 316 Ca -0.11 -0.95 0.02 0.00 0.00 0.00 0.00 61.98 60.94 3iml s VAL 316 Cb -0.06 -1.88 0.01 0.00 0.00 0.00 0.00 36.38 34.45 3iml s VAL 316 CO 0.02 0.56 -0.20 0.21 0.00 0.00 0.00 175.10 175.68 3iml s ASN 317 N 0.17 2.98 -0.03 3.32 3.84 0.15 -4.77 114.94 120.60 3iml s ASN 317 Ca -0.12 -0.58 0.12 0.00 0.21 0.00 0.00 52.86 52.50 3iml s ASN 317 Cb -0.16 -1.38 0.37 0.00 -0.55 0.00 0.00 41.25 39.53 3iml s ASN 317 CO 0.07 0.05 1.31 0.35 -2.79 0.00 0.00 177.10 176.09 3iml n THR 318 N 4.20 1.22 -3.81 -5.21 -2.24 -1.26 -0.27 114.28 106.91 3iml n THR 318 Ca -0.20 -1.14 -0.27 0.00 -2.27 0.00 0.00 64.05 60.18 3iml n THR 318 Cb 0.51 0.37 0.04 0.00 -2.10 0.00 0.00 70.33 69.15 3iml n THR 318 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 3iml n PHE 319 N 0.45 -2.26 -0.92 4.78 3.72 -1.26 -0.48 117.46 121.49 3iml n PHE 319 Ca 0.14 0.90 0.00 0.00 -0.05 0.00 0.00 57.45 58.45 3iml n PHE 319 Cb 0.52 -4.24 0.00 0.00 -0.94 0.00 0.00 39.48 34.82 3iml n PHE 319 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3iml n GLY 320 N -1.69 0.37 0.67 1.37 0.00 -1.26 -4.90 105.19 99.75 3iml n GLY 320 Ca -0.06 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.07 3iml n GLY 320 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3iml n THR 321 N -2.34 0.00 -2.24 2.61 -2.24 0.37 -4.99 114.28 105.45 3iml n THR 321 Ca 0.00 -0.35 -0.39 0.00 -2.27 0.00 0.00 64.05 61.04 3iml n THR 321 Cb 0.14 1.30 -0.02 0.00 -2.10 0.00 0.00 70.33 69.65 3iml n THR 321 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3iml s GLY 322 N -2.28 2.91 0.09 3.38 0.00 -1.26 -4.20 107.32 105.97 3iml s GLY 322 Ca 0.23 1.05 0.24 0.00 0.00 0.00 0.00 44.72 46.24 3iml s GLY 322 CO 0.46 1.60 1.28 0.54 0.00 0.00 0.00 173.10 176.98 3iml n ARG 323 N 0.28 0.26 -4.18 2.90 1.74 -0.34 -4.84 116.66 112.48 3iml n ARG 323 Ca 0.03 0.06 -0.13 0.00 -0.77 0.00 0.00 57.85 57.04 3iml n ARG 323 Cb 0.45 -1.65 -0.11 0.00 -1.02 0.00 0.00 32.46 30.14 3iml n ARG 323 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 3iml s VAL 324 N -3.16 0.89 0.48 1.55 -7.23 -1.26 -5.13 120.40 106.54 3iml s VAL 324 Ca 0.06 -1.71 -0.22 0.00 -1.81 0.00 0.00 61.98 58.30 3iml s VAL 324 Cb 0.14 -1.43 -0.09 0.00 0.56 0.00 0.00 36.38 35.57 3iml s VAL 324 CO 0.73 -0.63 1.03 -1.54 -0.31 0.00 0.00 175.10 174.38 3iml n SER 325 N 0.42 1.29 -0.17 4.85 3.41 -1.26 -4.71 113.62 117.45 3iml n SER 325 Ca -0.15 0.97 0.10 0.00 -0.26 0.00 0.00 58.87 59.52 3iml n SER 325 Cb 0.58 -1.39 0.41 0.00 -0.26 0.00 0.00 64.21 63.56 3iml n SER 325 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 3iml h ASP 326 N 1.28 0.56 0.18 4.04 3.32 -1.96 -1.07 116.42 122.78 3iml h ASP 326 Ca -0.46 0.01 -0.13 0.00 0.02 0.00 0.00 57.03 56.47 3iml h ASP 326 Cb 1.34 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 40.77 3iml h ASP 326 CO 0.55 0.34 -0.49 1.05 -1.72 0.00 0.00 179.24 178.97 3iml h GLU 327 N 0.62 0.36 -0.35 3.56 9.09 -1.89 0.68 114.58 126.65 3iml h GLU 327 Ca 0.34 -0.20 -0.16 0.00 0.05 0.00 0.00 59.36 59.39 3iml h GLU 327 Cb 0.48 0.01 -0.01 0.00 -1.65 0.00 0.00 28.75 27.59 3iml h GLU 327 CO -0.12 0.77 -0.41 1.15 0.05 0.00 0.00 179.01 180.45 3iml h THR 328 N 0.28 1.28 -0.41 -1.06 2.02 -1.60 -0.81 112.91 112.61 3iml h THR 328 Ca 0.01 -1.58 -0.01 0.00 0.77 0.00 0.00 66.41 65.60 3iml h THR 328 Cb 0.97 1.44 -0.02 0.00 -1.74 0.00 0.00 68.15 68.79 3iml h THR 328 CO 0.08 0.52 0.21 0.40 0.37 0.00 0.00 175.52 177.11 3iml h ILE 329 N 0.70 1.16 -0.68 3.11 2.04 -1.06 0.39 117.51 123.17 3iml h ILE 329 Ca 0.05 -0.43 0.08 0.00 1.00 0.00 0.00 64.86 65.57 3iml h ILE 329 Cb 0.99 0.70 -0.07 0.00 -0.74 0.00 0.00 36.82 37.70 3iml h ILE 329 CO 0.10 0.17 0.34 0.74 0.00 0.00 0.00 178.15 179.49 3iml h THR 330 N 0.52 0.87 -0.49 -0.27 2.02 -0.71 0.52 112.91 115.37 3iml h THR 330 Ca 0.14 -0.20 -0.03 0.00 0.77 0.00 0.00 66.41 67.09 3iml h THR 330 Cb 0.08 0.22 -0.02 0.00 -1.74 0.00 0.00 68.15 66.69 3iml h THR 330 CO -0.02 0.11 0.20 0.11 0.37 0.00 0.00 175.52 176.29 3iml h LYS 331 N 0.59 0.72 -0.81 6.66 1.57 -0.65 -2.75 116.57 121.90 3iml h LYS 331 Ca 0.33 -0.13 0.00 0.00 -1.87 0.00 0.00 60.65 58.99 3iml h LYS 331 Cb 0.33 -0.12 -0.04 0.00 0.08 0.00 0.00 32.23 32.47 3iml h LYS 331 CO -0.25 0.64 0.51 -0.07 -0.57 0.00 0.00 179.45 179.71 3iml h LEU 332 N 0.65 0.95 -0.67 2.94 3.38 -0.31 -2.37 115.31 119.89 3iml h LEU 332 Ca 0.16 -0.04 0.07 0.00 0.09 0.00 0.00 57.88 58.16 3iml h LEU 332 Cb 0.18 -0.24 -0.06 0.00 0.09 0.00 0.00 40.66 40.63 3iml h LEU 332 CO -0.02 0.71 0.36 0.58 0.09 0.00 0.00 178.44 180.16 3iml h VAL 333 N 1.11 0.93 -0.78 1.22 2.07 -0.63 -1.04 116.25 119.13 3iml h VAL 333 Ca 0.30 -0.22 -0.04 0.00 0.82 0.00 0.00 66.70 67.55 3iml h VAL 333 Cb -0.09 0.23 -0.03 0.00 -1.52 0.00 0.00 31.29 29.88 3iml h VAL 333 CO -0.06 0.12 0.32 0.03 0.02 0.00 0.00 177.57 178.00 3iml h ARG 334 N 0.65 1.17 -0.07 1.57 2.47 -1.20 -1.23 114.38 117.73 3iml h ARG 334 Ca 0.31 -0.21 -0.12 0.00 -1.26 0.00 0.00 59.98 58.70 3iml h ARG 334 Cb 0.23 -0.19 -0.01 0.00 -1.65 0.00 0.00 29.97 28.34 3iml h ARG 334 CO -0.20 0.94 -0.50 0.93 0.56 0.00 0.00 179.97 181.69 3iml h GLU 335 N 1.14 0.18 0.00 0.04 5.08 -1.14 -3.35 114.58 116.53 3iml h GLU 335 Ca 0.26 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 3iml h GLU 335 Cb 0.20 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.46 3iml h GLU 335 CO -0.02 0.65 -1.76 0.72 -1.00 0.00 0.00 179.01 177.60 3iml n HIS 336 N -3.95 0.00 -4.74 4.33 8.25 -0.45 -4.96 115.22 113.71 3iml n HIS 336 Ca -0.02 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.19 3iml n HIS 336 Cb 0.54 -0.38 -0.15 0.00 1.12 0.00 0.00 29.99 31.12 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 -3.33 1.77 -0.51 4.41 0.08 -0.48 -5.08 117.98 114.84 3iml s PHE 337 Ca -0.05 -0.36 -0.18 0.00 0.12 0.00 0.00 56.93 56.46 3iml s PHE 337 Cb 0.14 -1.08 0.07 0.00 -0.57 0.00 0.00 43.02 41.57 3iml s PHE 337 CO 0.85 0.05 0.59 0.34 -0.10 0.00 0.00 175.22 176.95 3iml s ASP 338 N -0.93 6.20 0.00 1.36 -1.08 -1.26 -4.64 116.67 116.32 3iml s ASP 338 Ca 0.07 -1.09 0.26 0.00 -0.52 0.00 0.00 52.55 51.27 3iml s ASP 338 Cb -0.08 -2.27 0.98 0.00 -1.46 0.00 0.00 42.92 40.09 3iml s ASP 338 CO 0.01 -0.88 1.69 0.18 0.52 0.00 0.00 175.17 176.70 3iml n LEU 339 N 5.98 1.49 -4.77 -1.34 4.77 -1.26 -3.16 117.00 118.71 3iml n LEU 339 Ca -0.08 -0.54 -0.38 0.00 -0.03 0.00 0.00 56.01 54.98 3iml n LEU 339 Cb 0.44 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.50 3iml n LEU 339 CO 0.53 0.27 0.88 -0.13 -1.33 0.00 0.00 177.39 177.61 3iml s ARG 340 N -1.93 3.69 0.13 3.23 0.52 -1.26 -4.68 118.95 118.66 3iml s ARG 340 Ca 0.36 1.92 -0.30 0.00 -0.52 0.00 0.00 55.73 57.19 3iml s ARG 340 Cb 0.20 -2.45 -0.06 0.00 0.52 0.00 0.00 34.95 33.15 3iml s ARG 340 CO 0.31 -0.65 1.57 -1.35 0.02 0.00 0.00 175.30 175.20 3iml h PRO 341 N 2.07 -0.45 0.00 3.54 0.11 -1.80 0.75 132.00 136.22 3iml h PRO 341 Ca -0.50 0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.63 3iml h PRO 341 Cb 1.26 0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.47 3iml h PRO 341 CO 0.60 -0.30 -0.08 0.87 -0.21 0.00 0.00 178.00 178.89 3iml h LYS 342 N -0.46 0.00 -0.66 1.05 1.57 -1.81 -1.92 116.57 114.34 3iml h LYS 342 Ca 0.08 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.85 3iml h LYS 342 Cb 0.63 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.91 3iml h LYS 342 CO -0.47 0.08 0.35 0.78 -0.57 0.00 0.00 179.45 179.61 3iml h GLY 343 N 2.05 0.99 1.42 3.86 0.00 -1.30 -2.75 103.07 107.33 3iml h GLY 343 Ca -0.00 -0.46 -0.18 0.00 0.00 0.00 0.00 47.33 46.69 3iml h GLY 343 CO 0.01 0.44 -0.64 -2.22 0.00 0.00 0.00 176.54 174.13 3iml h ILE 344 N 0.90 1.32 -0.40 2.60 2.04 -0.13 -0.91 117.51 122.93 3iml h ILE 344 Ca 0.23 -1.91 0.04 0.00 1.00 0.00 0.00 64.86 64.22 3iml h ILE 344 Cb 0.06 1.88 -0.04 0.00 -0.74 0.00 0.00 36.82 37.98 3iml h ILE 344 CO -0.04 0.59 0.17 0.40 0.00 0.00 0.00 178.15 179.28 3iml h ILE 345 N 0.44 0.93 -0.15 -0.67 2.04 -1.48 -1.02 117.51 117.60 3iml h ILE 345 Ca -0.01 -0.12 -0.11 0.00 1.00 0.00 0.00 64.86 65.62 3iml h ILE 345 Cb 1.21 0.54 -0.01 0.00 -0.74 0.00 0.00 36.82 37.82 3iml h ILE 345 CO 0.12 0.07 -0.38 -0.61 0.00 0.00 0.00 178.15 177.34 3iml h GLN 346 N 0.36 0.31 -0.25 2.37 4.15 -1.29 0.27 115.11 121.03 3iml h GLN 346 Ca 0.18 -0.14 -0.19 0.00 0.77 0.00 0.00 58.65 59.26 3iml h GLN 346 Cb 0.12 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 27.81 3iml h GLN 346 CO -0.15 0.65 -0.60 1.98 -1.93 0.00 0.00 178.83 178.78 3iml h MET 347 N 0.27 0.84 -0.39 1.69 4.05 -0.68 -3.26 114.93 117.46 3iml h MET 347 Ca 0.03 -0.57 0.00 0.00 -0.28 0.00 0.00 59.70 58.88 3iml h MET 347 Cb 0.80 0.08 0.00 0.00 -0.80 0.00 0.00 31.60 31.68 3iml h MET 347 CO 0.06 1.19 0.00 1.28 0.23 0.00 0.00 176.91 179.68 3iml n LEU 348 N -3.99 3.06 -3.69 3.39 4.77 -0.43 -5.02 117.00 115.09 3iml n LEU 348 Ca -0.05 -1.82 -0.31 0.00 -0.03 0.00 0.00 56.01 53.80 3iml n LEU 348 Cb 0.65 -0.25 0.04 0.00 -2.33 0.00 0.00 43.42 41.53 3iml n LEU 348 CO 0.51 0.74 -0.07 -0.67 -1.33 0.00 0.00 177.39 176.57 3iml n ASP 349 N 0.86 -5.35 -0.07 -1.43 2.03 0.90 -4.72 116.55 108.78 3iml n ASP 349 Ca 0.14 -0.99 0.13 0.00 0.52 0.00 0.00 54.79 54.59 3iml n ASP 349 Cb 0.47 -3.21 0.41 0.00 -0.72 0.00 0.00 41.12 38.07 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 -4.02 0.49 -3.66 -2.67 4.77 -0.89 -4.52 117.00 106.50 3iml n LEU 350 Ca -0.10 0.05 -0.41 0.00 -0.03 0.00 0.00 56.01 55.51 3iml n LEU 350 Cb 0.59 -0.26 -0.00 0.00 -2.33 0.00 0.00 43.42 41.41 3iml n LEU 350 CO 0.67 0.11 2.57 0.18 -1.33 0.00 0.00 177.39 179.58 3iml n LEU 351 N -1.24 7.29 -3.83 2.23 4.77 -1.26 -4.82 117.00 120.14 3iml n LEU 351 Ca 0.09 -4.42 -0.12 0.00 -0.03 0.00 0.00 56.01 51.53 3iml n LEU 351 Cb 0.33 -1.55 -0.11 0.00 -2.33 0.00 0.00 43.42 39.75 3iml n LEU 351 CO 0.30 1.47 -0.14 -0.13 -1.33 0.00 0.00 177.39 177.56 3iml s ARG 352 N 1.68 0.36 -1.34 3.23 0.52 -1.26 -4.96 118.95 117.18 3iml s ARG 352 Ca 0.50 -0.02 -0.16 0.00 -0.52 0.00 0.00 55.73 55.53 3iml s ARG 352 Cb 0.14 0.16 0.07 0.00 0.52 0.00 0.00 34.95 35.84 3iml s ARG 352 CO -0.06 -0.07 1.87 -0.35 0.02 0.00 0.00 175.30 176.71 3iml n PRO 353 N 2.26 3.12 0.00 3.54 -0.04 -1.26 -4.54 135.00 138.09 3iml n PRO 353 Ca -0.17 -3.13 0.00 0.00 -0.04 0.00 0.00 63.50 60.16 3iml n PRO 353 Cb 0.57 -3.38 0.00 0.00 -0.04 0.00 0.00 33.50 30.66 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 5.73 0.75 -0.01 0.52 -5.35 -1.26 -4.84 119.36 114.91 3iml n ILE 354 Ca 0.49 -0.86 -0.05 0.00 -0.27 0.00 0.00 62.75 62.06 3iml n ILE 354 Cb 0.43 0.63 -0.12 0.00 -1.74 0.00 0.00 39.64 38.84 3iml n ILE 354 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57 3iml n TYR 355 N -0.38 0.85 -0.28 4.28 4.01 -1.26 -3.74 117.16 120.64 3iml n TYR 355 Ca 0.00 0.29 0.10 0.00 -0.16 0.00 0.00 57.90 58.13 3iml n TYR 355 Cb 0.21 -1.10 0.34 0.00 -0.31 0.00 0.00 39.34 38.47 3iml n TYR 355 CO 0.00 0.00 0.00 1.49 -0.46 0.00 0.00 176.86 177.89 3iml h GLU 356 N 0.00 0.76 -0.13 -0.72 4.81 -1.89 -0.91 114.58 116.50 3iml h GLU 356 Ca -0.26 -0.05 -0.06 0.00 -0.13 0.00 0.00 59.36 58.87 3iml h GLU 356 Cb 1.83 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 31.03 3iml h GLU 356 CO 0.06 0.50 -0.19 0.87 -0.73 0.00 0.00 179.01 179.52 3iml h LYS 357 N 0.78 0.21 0.00 1.92 1.57 -1.95 -2.55 116.57 116.55 3iml h LYS 357 Ca 0.44 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 59.14 3iml h LYS 357 Cb 0.59 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.88 3iml h LYS 357 CO -0.20 0.41 -0.12 1.79 -0.57 0.00 0.00 179.45 180.75 3iml h THR 358 N 0.20 0.37 -0.00 -0.16 1.35 -1.29 -3.33 112.91 110.04 3iml h THR 358 Ca 0.04 -0.73 0.00 0.00 -0.55 0.00 0.00 66.41 65.17 3iml h THR 358 Cb 0.46 1.53 0.00 0.00 -1.73 0.00 0.00 68.15 68.42 3iml h THR 358 CO 0.03 0.12 -0.03 0.00 -0.25 0.00 0.00 175.52 175.39 3iml n ALA 359 N -2.19 2.66 -2.78 6.62 0.00 -0.96 -3.93 120.51 119.93 3iml n ALA 359 Ca -0.00 -0.25 -0.15 0.00 0.00 0.00 0.00 53.44 53.04 3iml n ALA 359 Cb 0.32 -1.42 -0.11 0.00 0.00 0.00 0.00 19.45 18.24 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 -2.20 0.79 -0.58 0.00 0.00 -1.25 -4.54 121.76 113.98 3iml s ALA 360 Ca 0.39 -0.87 0.00 0.00 0.00 0.00 0.00 51.96 51.47 3iml s ALA 360 Cb 0.21 0.01 0.00 0.00 0.00 0.00 0.00 23.12 23.34 3iml s ALA 360 CO 0.40 0.03 0.00 0.66 0.00 0.00 0.00 175.76 176.85 3iml n TYR 361 N 1.31 0.00 0.00 0.00 4.01 -1.26 -4.80 117.16 116.43 3iml n TYR 361 Ca -0.22 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.52 3iml n TYR 361 Cb 0.55 -1.36 0.00 0.00 -0.31 0.00 0.00 39.34 38.22 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 -1.88 1.99 0.14 2.72 0.00 -1.26 -4.86 105.19 102.03 3iml n GLY 362 Ca -0.06 -1.47 0.13 0.00 0.00 0.00 0.00 46.02 44.63 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 -4.24 1.61 3.86 -1.45 -3.46 115.15 111.47 3iml h HIS 363 Ca 0.00 0.00 -0.55 0.00 -1.16 0.00 0.00 60.37 58.66 3iml h HIS 363 Cb 0.00 0.00 -0.28 0.00 1.06 0.00 0.00 27.41 28.19 3iml h HIS 363 CO 0.00 0.00 -0.83 -0.06 0.86 0.00 0.00 177.93 177.90 3iml s PHE 364 N -3.22 1.61 0.00 2.45 0.08 -1.26 -4.79 117.98 112.86 3iml s PHE 364 Ca 0.08 -0.33 0.00 0.00 0.12 0.00 0.00 56.93 56.80 3iml s PHE 364 Cb 0.10 -1.00 0.00 0.00 -0.57 0.00 0.00 43.02 41.55 3iml s PHE 364 CO 0.54 0.02 0.00 0.41 -0.10 0.00 0.00 175.22 176.09 3iml n GLY 365 N 2.29 0.54 3.27 4.36 0.00 -1.26 -5.02 105.19 109.37 3iml n GLY 365 Ca -0.16 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.92 2.87 -1.35 1.61 0.52 -1.26 -4.90 118.95 115.51 3iml s ARG 366 Ca 0.00 -0.99 -0.07 0.00 -0.52 0.00 0.00 55.73 54.15 3iml s ARG 366 Cb 0.00 -3.25 0.11 0.00 0.52 0.00 0.00 34.95 32.33 3iml s ARG 366 CO 0.00 -0.48 2.30 0.39 0.02 0.00 0.00 175.30 177.53 3iml n GLU 367 N 4.77 4.17 -2.90 3.54 1.02 -1.26 -4.87 120.64 125.12 3iml n GLU 367 Ca -0.15 -3.31 -0.32 0.00 -0.02 0.00 0.00 57.16 53.36 3iml n GLU 367 Cb 0.47 -2.75 -0.06 0.00 -0.02 0.00 0.00 31.44 29.07 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 -0.22 4.08 0.26 3.49 0.41 -1.26 -4.97 118.70 120.49 3iml s GLU 368 Ca 0.52 0.87 -0.02 0.00 -0.41 0.00 0.00 54.97 55.92 3iml s GLU 368 Cb 0.16 -2.29 0.41 0.00 -1.78 0.00 0.00 34.13 30.63 3iml s GLU 368 CO -0.06 0.02 1.87 -1.35 -0.49 0.00 0.00 175.26 175.24 3iml h PRO 369 N 1.89 1.08 -0.09 0.39 0.11 -2.04 -2.20 132.00 131.14 3iml h PRO 369 Ca -0.48 -0.06 -0.04 0.00 0.11 0.00 0.00 66.00 65.53 3iml h PRO 369 Cb 1.18 -0.24 -0.01 0.00 0.11 0.00 0.00 31.00 32.04 3iml h PRO 369 CO 0.63 0.71 -0.12 1.05 -0.21 0.00 0.00 178.00 180.06 3iml h GLU 370 N 1.11 0.13 -5.57 1.05 9.09 -1.98 -3.37 114.58 115.04 3iml h GLU 370 Ca 0.43 -0.02 -0.69 0.00 0.05 0.00 0.00 59.36 59.12 3iml h GLU 370 Cb 0.22 -0.02 -0.10 0.00 -1.65 0.00 0.00 28.75 27.20 3iml h GLU 370 CO -0.19 0.26 2.09 1.19 0.05 0.00 0.00 179.01 182.41 3iml n PHE 371 N -4.33 4.67 0.19 2.06 0.99 -0.83 -4.78 117.46 115.43 3iml n PHE 371 Ca -0.01 -2.94 0.18 0.00 -0.00 0.00 0.00 57.45 54.68 3iml n PHE 371 Cb 0.23 -2.55 0.81 0.00 -1.00 0.00 0.00 39.48 36.97 3iml n PHE 371 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.76 177.42 3iml h SER 372 N 7.42 0.00 0.40 4.37 4.64 -1.82 -1.36 113.55 127.20 3iml h SER 372 Ca 0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.75 3iml h SER 372 Cb 0.86 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.95 3iml h SER 372 CO 1.44 0.00 0.00 -2.67 -0.87 0.00 0.00 176.83 174.73 3iml n TRP 373 N -3.55 0.00 0.95 4.77 2.14 -1.26 -2.92 117.44 117.56 3iml n TRP 373 Ca 0.03 0.00 0.10 0.00 2.07 0.00 0.00 57.50 59.70 3iml n TRP 373 Cb 0.44 -0.26 -0.04 0.00 -0.81 0.00 0.00 31.31 30.64 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 -1.26 1.00 -2.40 -2.67 -0.58 -0.51 -3.33 120.64 110.88 3iml n GLU 374 Ca 0.11 -0.67 -0.42 0.00 -0.42 0.00 0.00 57.16 55.76 3iml n GLU 374 Cb 0.18 -1.45 -0.03 0.00 -0.57 0.00 0.00 31.44 29.57 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 -2.54 3.47 -0.25 0.62 0.00 -1.15 -4.92 121.76 117.00 3iml s ALA 375 Ca 0.14 0.75 -0.03 0.00 0.00 0.00 0.00 51.96 52.82 3iml s ALA 375 Cb 0.17 -3.50 -0.00 0.00 0.00 0.00 0.00 23.12 19.78 3iml s ALA 375 CO 0.63 -0.67 2.75 0.00 0.00 0.00 0.00 175.76 178.47 3iml n ALA 376 N 4.78 5.85 1.41 0.00 0.00 -1.26 -4.61 120.51 126.69 3iml n ALA 376 Ca 0.11 -2.05 0.08 0.00 0.00 0.00 0.00 53.44 51.57 3iml n ALA 376 Cb 0.46 -1.89 0.31 0.00 0.00 0.00 0.00 19.45 18.33 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 1.28 1.13 -0.19 0.00 5.75 -1.26 -2.84 116.55 120.42 3iml n ASP 377 Ca 0.37 -1.76 0.02 0.00 -0.01 0.00 0.00 54.79 53.42 3iml n ASP 377 Cb 0.65 -0.10 0.02 0.00 -1.03 0.00 0.00 41.12 40.66 3iml n ASP 377 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 3iml n LYS 378 N 0.02 -0.09 0.04 0.11 5.02 -1.26 -4.82 118.16 117.17 3iml n LYS 378 Ca 0.12 -0.85 -0.11 0.00 -2.02 0.00 0.00 58.31 55.46 3iml n LYS 378 Cb 0.22 -1.09 -0.04 0.00 -0.02 0.00 0.00 35.03 34.10 3iml n LYS 378 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3iml h ALA 379 N 0.87 -0.20 -0.77 7.82 0.00 -1.75 -1.47 119.26 123.76 3iml h ALA 379 Ca 0.00 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 3iml h ALA 379 Cb 0.22 0.34 -0.04 0.00 0.00 0.00 0.00 17.79 18.32 3iml h ALA 379 CO 0.00 -0.67 0.33 -0.07 0.00 0.00 0.00 179.25 178.85 3iml h LEU 380 N -0.28 1.03 -0.75 0.00 4.07 -1.88 -0.63 115.31 116.87 3iml h LEU 380 Ca 0.07 -0.14 -0.08 0.00 0.08 0.00 0.00 57.88 57.81 3iml h LEU 380 Cb 0.38 -0.27 -0.02 0.00 1.08 0.00 0.00 40.66 41.82 3iml h LEU 380 CO -0.20 0.90 0.07 0.00 -1.08 0.00 0.00 178.44 178.12 3iml h ALA 381 N 1.25 0.96 -0.25 1.53 0.00 -1.81 -0.74 119.26 120.20 3iml h ALA 381 Ca 0.26 -0.27 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 3iml h ALA 381 Cb 0.17 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3iml h ALA 381 CO -0.03 0.64 -0.12 -0.07 0.00 0.00 0.00 179.25 179.67 3iml h LEU 382 N 0.95 0.55 -0.83 0.00 3.38 -0.85 -1.81 115.31 116.69 3iml h LEU 382 Ca 0.18 -0.41 0.02 0.00 0.09 0.00 0.00 57.88 57.77 3iml h LEU 382 Cb 0.46 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.01 3iml h LEU 382 CO 0.02 0.83 0.54 0.00 0.09 0.00 0.00 178.44 179.92 3iml h ALA 383 N 0.73 1.07 -0.36 1.53 0.00 -1.01 -1.77 119.26 119.45 3iml h ALA 383 Ca 0.06 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 3iml h ALA 383 Cb 0.63 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 3iml h ALA 383 CO 0.04 0.42 0.14 1.49 0.00 0.00 0.00 179.25 181.34 3iml h GLU 384 N 1.09 0.53 -0.09 0.00 4.57 -1.07 -2.94 114.58 116.66 3iml h GLU 384 Ca 0.32 -0.10 -0.10 0.00 -1.18 0.00 0.00 59.36 58.30 3iml h GLU 384 Cb -0.07 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 28.42 3iml h GLU 384 CO -0.09 0.52 -0.41 0.00 -1.18 0.00 0.00 179.01 177.85 3iml h ALA 385 N 0.99 1.14 -0.01 2.92 0.00 -1.03 -3.17 119.26 120.09 3iml h ALA 385 Ca 0.12 -0.40 -0.16 0.00 0.00 0.00 0.00 54.91 54.47 3iml h ALA 385 Cb 0.19 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 3iml h ALA 385 CO -0.01 0.58 -0.71 0.00 0.00 0.00 0.00 179.25 179.11 3iml h ALA 386 N 1.41 0.79 0.00 0.00 0.00 -1.28 -3.52 119.26 116.67 3iml h ALA 386 Ca 0.02 -0.63 0.00 0.00 0.00 0.00 0.00 54.91 54.29 3iml h ALA 386 Cb 0.80 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.49 3iml h ALA 386 CO 0.06 0.85 0.00 0.41 0.00 0.00 0.00 179.25 180.57