#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g6i s VAL 21 N 0.00 5.03 0.33 0.00 1.01 -1.26 -5.07 120.40 120.43 3g6i s VAL 21 Ca 0.00 1.00 -0.25 0.00 0.00 0.00 0.00 61.98 62.72 3g6i s VAL 21 Cb 0.00 -3.88 -0.10 0.00 0.00 0.00 0.00 36.38 32.41 3g6i s VAL 21 CO 0.00 0.06 0.93 -1.81 0.00 0.00 0.00 175.10 174.28 3g6i s ASP 22 N 1.50 7.28 -0.06 3.32 1.01 -1.26 -4.86 116.67 123.60 3g6i s ASP 22 Ca 0.23 1.79 -0.30 0.00 0.71 0.00 0.00 52.55 54.99 3g6i s ASP 22 Cb -0.16 -2.56 -0.02 0.00 1.01 0.00 0.00 42.92 41.19 3g6i s ASP 22 CO 0.09 -0.09 1.06 -0.22 0.21 0.00 0.00 175.17 176.21 3g6i s LEU 23 N -2.16 4.29 -1.46 1.23 2.96 -1.26 -4.92 118.68 117.35 3g6i s LEU 23 Ca 0.51 1.65 -0.09 0.00 -0.22 0.00 0.00 54.13 55.97 3g6i s LEU 23 Cb -0.17 -3.56 0.03 0.00 0.50 0.00 0.00 46.19 42.98 3g6i s LEU 23 CO 0.22 -0.44 2.53 -3.20 -1.32 0.00 0.00 176.35 174.14 3g6i n ASN 24 N 4.76 7.30 -0.30 3.68 5.15 -1.26 -4.64 115.26 129.96 3g6i n ASN 24 Ca 0.09 -2.86 0.12 0.00 -0.60 0.00 0.00 54.58 51.32 3g6i n ASN 24 Cb 0.48 -1.50 0.15 0.00 -0.53 0.00 0.00 39.78 38.39 3g6i n ASN 24 CO 0.00 0.00 0.00 2.29 1.40 0.00 0.00 177.26 180.95 3g6i n LYS 25 N 3.43 0.82 -1.71 1.20 2.85 -1.26 -4.96 118.16 118.53 3g6i n LYS 25 Ca 0.64 -0.60 -0.43 0.00 -1.05 0.00 0.00 58.31 56.88 3g6i n LYS 25 Cb 0.28 -1.49 -0.02 0.00 -0.65 0.00 0.00 35.03 33.15 3g6i n LYS 25 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 3g6i n GLU 26 N -0.57 2.44 -2.22 -1.58 4.71 -1.26 -2.27 120.64 119.89 3g6i n GLU 26 Ca 0.09 0.87 -0.20 0.00 -0.01 0.00 0.00 57.16 57.91 3g6i n GLU 26 Cb 0.39 -2.61 -0.03 0.00 -1.01 0.00 0.00 31.44 28.19 3g6i n GLU 26 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 3g6i n ASN 27 N 2.34 -5.71 -4.68 1.62 3.02 -1.26 -5.00 115.26 105.58 3g6i n ASN 27 Ca 0.11 0.11 -0.27 0.00 -0.03 0.00 0.00 54.58 54.50 3g6i n ASN 27 Cb 0.34 -4.82 -0.07 0.00 -0.61 0.00 0.00 39.78 34.62 3g6i n ASN 27 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 3g6i s ARG 28 N -4.75 2.47 0.16 3.52 0.52 -0.96 -5.08 118.95 114.83 3g6i s ARG 28 Ca 0.00 -1.05 -0.32 0.00 -0.52 0.00 0.00 55.73 53.85 3g6i s ARG 28 Cb 0.00 -2.41 -0.11 0.00 0.52 0.00 0.00 34.95 32.94 3g6i s ARG 28 CO 0.00 0.47 1.79 -3.47 0.02 0.00 0.00 175.30 174.11 3g6i n ASP 29 N -0.05 4.02 0.08 0.23 2.03 -1.26 -4.88 116.55 116.72 3g6i n ASP 29 Ca -0.10 1.02 0.04 0.00 0.52 0.00 0.00 54.79 56.27 3g6i n ASP 29 Cb 0.55 -1.56 0.45 0.00 -0.72 0.00 0.00 41.12 39.84 3g6i n ASP 29 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 3g6i h PRO 30 N 7.80 0.35 -0.61 -0.67 0.11 -1.98 -1.16 132.00 135.85 3g6i h PRO 30 Ca -0.45 -0.04 -0.10 0.00 0.11 0.00 0.00 66.00 65.53 3g6i h PRO 30 Cb 1.21 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 32.23 3g6i h PRO 30 CO 0.95 0.30 0.00 -0.22 -0.21 0.00 0.00 178.00 178.83 3g6i h LYS 31 N 0.35 1.07 -0.25 1.05 3.64 -1.99 -0.69 116.57 119.76 3g6i h LYS 31 Ca 0.09 -0.34 -0.04 0.00 -1.27 0.00 0.00 60.65 59.09 3g6i h LYS 31 Cb 0.09 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.80 3g6i h LYS 31 CO -0.01 1.04 0.01 -0.92 -2.27 0.00 0.00 179.45 177.30 3g6i h TYR 32 N 0.98 0.47 -0.27 1.91 3.20 -1.64 -1.87 116.97 119.76 3g6i h TYR 32 Ca 0.17 -0.08 0.05 0.00 3.14 0.00 0.00 58.73 62.01 3g6i h TYR 32 Cb 0.55 -0.12 -0.04 0.00 1.54 0.00 0.00 36.73 38.66 3g6i h TYR 32 CO 0.04 0.59 0.01 0.28 -1.64 0.00 0.00 178.16 177.44 3g6i h VAL 33 N 0.22 0.81 -0.77 1.81 2.07 -1.14 -1.48 116.25 117.77 3g6i h VAL 33 Ca 0.07 -0.03 0.02 0.00 0.82 0.00 0.00 66.70 67.58 3g6i h VAL 33 Cb 0.40 0.71 -0.04 0.00 -1.52 0.00 0.00 31.29 30.84 3g6i h VAL 33 CO 0.01 0.02 0.50 -0.08 0.02 0.00 0.00 177.57 178.04 3g6i h GLU 34 N 0.09 0.98 -0.60 1.57 4.81 -1.07 0.28 114.58 120.64 3g6i h GLU 34 Ca 0.13 -0.06 0.03 0.00 -0.13 0.00 0.00 59.36 59.33 3g6i h GLU 34 Cb 0.16 -0.22 -0.04 0.00 0.63 0.00 0.00 28.75 29.28 3g6i h GLU 34 CO -0.21 0.65 0.36 0.66 -0.73 0.00 0.00 179.01 179.74 3g6i h SER 35 N 1.01 0.59 -0.22 1.04 4.64 -0.64 -1.08 113.55 118.89 3g6i h SER 35 Ca 0.29 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.47 3g6i h SER 35 Cb -0.07 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 61.90 3g6i h SER 35 CO -0.08 0.41 -0.44 0.40 -0.87 0.00 0.00 176.83 176.25 3g6i h ILE 36 N 0.72 1.31 -0.27 0.95 1.08 -0.68 -1.81 117.51 118.80 3g6i h ILE 36 Ca 0.24 -1.66 0.02 0.00 -0.39 0.00 0.00 64.86 63.07 3g6i h ILE 36 Cb 0.03 1.80 -0.02 0.00 -3.07 0.00 0.00 36.82 35.55 3g6i h ILE 36 CO -0.10 0.52 0.12 0.58 -0.69 0.00 0.00 178.15 178.58 3g6i h VAL 37 N 0.41 0.97 -0.61 1.67 2.07 -0.87 0.21 116.25 120.11 3g6i h VAL 37 Ca 0.01 -0.09 -0.04 0.00 0.82 0.00 0.00 66.70 67.40 3g6i h VAL 37 Cb 1.05 0.68 -0.03 0.00 -1.52 0.00 0.00 31.29 31.48 3g6i h VAL 37 CO 0.10 0.05 0.24 -1.13 0.02 0.00 0.00 177.57 176.85 3g6i h ASN 38 N 0.26 0.84 -0.44 0.57 -1.24 -1.14 -0.10 115.58 114.32 3g6i h ASN 38 Ca 0.12 -0.17 0.00 0.00 0.71 0.00 0.00 56.30 56.96 3g6i h ASN 38 Cb 0.05 -0.22 -0.02 0.00 0.73 0.00 0.00 38.32 38.86 3g6i h ASN 38 CO -0.09 0.78 0.29 -0.09 -1.29 0.00 0.00 177.43 177.03 3g6i h ARG 39 N 0.84 0.59 -0.63 6.67 2.43 -1.05 -1.56 114.38 121.68 3g6i h ARG 39 Ca 0.20 -0.04 -0.09 0.00 -0.81 0.00 0.00 59.98 59.25 3g6i h ARG 39 Cb 0.21 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.60 3g6i h ARG 39 CO -0.02 0.40 0.06 0.77 -1.51 0.00 0.00 179.97 179.67 3g6i h SER 40 N 0.60 1.04 -0.85 -3.80 0.02 -0.75 -2.88 113.55 106.93 3g6i h SER 40 Ca 0.16 -0.28 -0.03 0.00 -0.84 0.00 0.00 61.79 60.80 3g6i h SER 40 Cb -0.06 -0.28 -0.04 0.00 0.14 0.00 0.00 62.40 62.17 3g6i h SER 40 CO -0.03 1.06 0.40 -0.61 -1.14 0.00 0.00 176.83 176.51 3g6i h GLN 41 N 0.98 1.23 -0.56 3.45 5.75 -0.74 -1.73 115.11 123.48 3g6i h GLN 41 Ca 0.19 -0.19 -0.06 0.00 -0.15 0.00 0.00 58.65 58.43 3g6i h GLN 41 Cb 0.49 -0.22 -0.02 0.00 1.07 0.00 0.00 27.48 28.80 3g6i h GLN 41 CO 0.02 0.95 0.09 0.87 -2.65 0.00 0.00 178.83 178.11 3g6i h LYS 42 N 1.22 0.90 -0.19 1.69 1.57 -1.10 0.18 116.57 120.83 3g6i h LYS 42 Ca 0.29 -0.22 -0.01 0.00 -1.87 0.00 0.00 60.65 58.84 3g6i h LYS 42 Cb 0.13 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 3g6i h LYS 42 CO -0.04 0.84 0.07 0.82 -0.57 0.00 0.00 179.45 180.57 3g6i h ILE 43 N 0.85 1.18 -0.67 1.86 2.04 -1.28 -3.03 117.51 118.46 3g6i h ILE 43 Ca 0.18 -0.54 -0.08 0.00 1.00 0.00 0.00 64.86 65.41 3g6i h ILE 43 Cb 0.38 1.18 -0.03 0.00 -0.74 0.00 0.00 36.82 37.61 3g6i h ILE 43 CO 0.01 0.17 0.11 0.58 0.00 0.00 0.00 178.15 179.02 3g6i h VAL 44 N 0.15 1.26 -0.95 1.67 2.07 -0.92 -2.64 116.25 116.89 3g6i h VAL 44 Ca 0.06 -1.04 0.20 0.00 0.82 0.00 0.00 66.70 66.74 3g6i h VAL 44 Cb 0.21 0.63 -0.08 0.00 -1.52 0.00 0.00 31.29 30.52 3g6i h VAL 44 CO -0.00 0.39 0.61 0.44 0.02 0.00 0.00 177.57 179.03 3g6i h ASP 45 N 1.04 0.57 0.58 0.57 3.32 -0.58 -0.39 116.42 121.53 3g6i h ASP 45 Ca 0.20 0.06 -0.05 0.00 0.02 0.00 0.00 57.03 57.27 3g6i h ASP 45 Cb 0.44 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.94 3g6i h ASP 45 CO 0.01 0.22 -0.24 0.50 -1.72 0.00 0.00 179.24 178.02 3g6i h LYS 46 N 0.57 0.00 0.00 3.56 3.64 -1.35 -2.15 116.57 120.84 3g6i h LYS 46 Ca 0.52 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.89 3g6i h LYS 46 Cb 1.06 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.88 3g6i h LYS 46 CO -0.26 0.24 -0.02 -0.07 -2.27 0.00 0.00 179.45 177.06 3g6i h LEU 47 N 0.00 0.00 -1.42 5.20 3.38 -1.10 -3.47 115.31 117.91 3g6i h LEU 47 Ca -0.00 0.00 -0.48 0.00 0.09 0.00 0.00 57.88 57.49 3g6i h LEU 47 Cb 0.59 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.30 3g6i h LEU 47 CO 0.03 0.02 -0.82 0.61 0.09 0.00 0.00 178.44 178.38 3g6i n GLY 48 N -0.19 -0.37 3.77 0.83 0.00 -0.81 -4.94 105.19 103.49 3g6i n GLY 48 Ca -0.00 0.16 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 3g6i n GLY 48 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3g6i s LEU 49 N -7.05 4.25 0.05 0.99 1.43 -1.26 -4.94 118.68 112.15 3g6i s LEU 49 Ca 0.35 2.75 0.24 0.00 -1.03 0.00 0.00 54.13 56.44 3g6i s LEU 49 Cb -0.18 -3.84 0.23 0.00 0.03 0.00 0.00 46.19 42.43 3g6i s LEU 49 CO 0.85 -0.85 1.20 0.35 0.23 0.00 0.00 176.35 178.13 3g6i n THR 50 N 0.22 0.17 -3.58 5.49 -2.24 -1.26 -4.78 114.28 108.30 3g6i n THR 50 Ca 0.03 -0.18 -0.41 0.00 -2.27 0.00 0.00 64.05 61.23 3g6i n THR 50 Cb 0.42 0.17 -0.11 0.00 -2.10 0.00 0.00 70.33 68.71 3g6i n THR 50 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3g6i s ASP 51 N -3.72 5.77 0.39 3.42 -1.08 -1.26 -4.97 116.67 115.21 3g6i s ASP 51 Ca 0.06 -0.99 0.14 0.00 -0.52 0.00 0.00 52.55 51.24 3g6i s ASP 51 Cb 0.15 -2.04 0.79 0.00 -1.46 0.00 0.00 42.92 40.36 3g6i s ASP 51 CO 0.76 -0.39 1.85 0.00 0.52 0.00 0.00 175.17 177.90 3g6i h ALA 52 N 8.45 1.38 -0.28 3.66 0.00 -2.00 -1.44 119.26 129.05 3g6i h ALA 52 Ca -0.26 -0.31 -0.17 0.00 0.00 0.00 0.00 54.91 54.17 3g6i h ALA 52 Cb 1.10 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.84 3g6i h ALA 52 CO 0.67 0.43 -0.49 -0.22 0.00 0.00 0.00 179.25 179.64 3g6i h LYS 53 N 0.00 0.82 -0.36 0.00 3.11 -2.00 -2.11 116.57 116.04 3g6i h LYS 53 Ca -0.00 -0.51 0.00 0.00 -2.81 0.00 0.00 60.65 57.33 3g6i h LYS 53 Cb 0.62 0.06 -0.02 0.00 -1.00 0.00 0.00 32.23 31.89 3g6i h LYS 53 CO 0.04 1.14 0.23 0.28 -2.81 0.00 0.00 179.45 178.34 3g6i h VAL 54 N 0.59 1.10 -0.94 2.00 2.07 -1.95 -1.99 116.25 117.12 3g6i h VAL 54 Ca 0.02 -0.21 0.09 0.00 0.82 0.00 0.00 66.70 67.41 3g6i h VAL 54 Cb 1.09 0.60 -0.07 0.00 -1.52 0.00 0.00 31.29 31.40 3g6i h VAL 54 CO 0.11 0.10 0.61 0.00 0.02 0.00 0.00 177.57 178.41 3g6i h ALA 55 N 1.11 1.53 -0.45 1.67 0.00 -1.09 0.22 119.26 122.25 3g6i h ALA 55 Ca 0.13 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 3g6i h ALA 55 Cb -0.03 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 3g6i h ALA 55 CO -0.03 0.30 0.07 0.93 0.00 0.00 0.00 179.25 180.52 3g6i h GLU 56 N 1.01 0.76 -0.04 0.00 5.08 -1.11 -1.03 114.58 119.25 3g6i h GLU 56 Ca 0.43 -0.20 -0.00 0.00 -1.00 0.00 0.00 59.36 58.58 3g6i h GLU 56 Cb 0.31 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.47 3g6i h GLU 56 CO -0.18 0.78 0.03 -0.44 -1.00 0.00 0.00 179.01 178.19 3g6i h ASP 57 N 0.62 0.05 -0.50 1.42 3.32 -0.70 -1.93 116.42 118.70 3g6i h ASP 57 Ca 0.14 -0.06 0.06 0.00 0.02 0.00 0.00 57.03 57.18 3g6i h ASP 57 Cb 0.39 -0.01 -0.05 0.00 0.22 0.00 0.00 39.33 39.88 3g6i h ASP 57 CO 0.01 0.10 0.22 0.58 -1.72 0.00 0.00 179.24 178.43 3g6i h VAL 58 N 0.01 0.90 -0.76 -1.35 2.07 -0.87 -1.34 116.25 114.90 3g6i h VAL 58 Ca 0.02 -0.15 0.11 0.00 0.82 0.00 0.00 66.70 67.50 3g6i h VAL 58 Cb 0.06 0.43 -0.08 0.00 -1.52 0.00 0.00 31.29 30.17 3g6i h VAL 58 CO -0.00 0.08 0.39 0.00 0.02 0.00 0.00 177.57 178.05 3g6i h ASN 60 N 0.63 0.41 -0.70 0.00 2.35 -0.52 -0.46 115.58 117.28 3g6i h ASN 60 Ca 0.39 -0.23 -0.02 0.00 -0.55 0.00 0.00 56.30 55.88 3g6i h ASN 60 Cb 0.44 -0.12 -0.03 0.00 0.05 0.00 0.00 38.32 38.66 3g6i h ASN 60 CO -0.29 0.91 0.36 0.58 -1.65 0.00 0.00 177.43 177.34 3g6i h VAL 61 N 0.27 1.23 0.22 2.81 2.07 -0.95 0.41 116.25 122.32 3g6i h VAL 61 Ca -0.00 -0.61 -0.01 0.00 0.82 0.00 0.00 66.70 66.90 3g6i h VAL 61 Cb 1.11 0.34 0.00 0.00 -1.52 0.00 0.00 31.29 31.22 3g6i h VAL 61 CO 0.10 0.26 -0.11 0.40 0.02 0.00 0.00 177.57 178.24 3g6i h ILE 62 N 0.97 0.85 -0.63 4.57 2.04 -1.21 -2.23 117.51 121.87 3g6i h ILE 62 Ca 0.24 -0.71 0.12 0.00 1.00 0.00 0.00 64.86 65.52 3g6i h ILE 62 Cb 0.08 1.24 -0.09 0.00 -0.74 0.00 0.00 36.82 37.31 3g6i h ILE 62 CO -0.03 0.15 0.13 0.00 0.00 0.00 0.00 178.15 178.40 3g6i h ALA 63 N -0.02 0.75 -0.60 1.87 0.00 -1.03 -1.69 119.26 118.54 3g6i h ALA 63 Ca -0.03 0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 3g6i h ALA 63 Cb 0.47 0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.42 3g6i h ALA 63 CO 0.05 -0.31 0.35 -0.91 0.00 0.00 0.00 179.25 178.43 3g6i h ASN 64 N 0.26 0.72 -0.32 0.00 2.35 -0.85 -1.75 115.58 115.98 3g6i h ASN 64 Ca 0.33 -0.04 -0.03 0.00 -0.55 0.00 0.00 56.30 56.01 3g6i h ASN 64 Cb 0.51 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.69 3g6i h ASN 64 CO -0.43 0.57 0.09 -0.09 -1.65 0.00 0.00 177.43 175.92 3g6i h ARG 65 N 0.83 0.51 -0.53 0.81 9.65 -0.69 0.11 114.38 125.07 3g6i h ARG 65 Ca 0.22 -0.12 0.09 0.00 -1.10 0.00 0.00 59.98 59.07 3g6i h ARG 65 Cb -0.01 -0.07 -0.07 0.00 -1.39 0.00 0.00 29.97 28.43 3g6i h ARG 65 CO -0.04 0.57 0.12 1.88 2.80 0.00 0.00 179.97 185.30 3g6i h TYR 66 N 0.37 0.19 -0.47 2.20 0.05 -0.97 -0.84 116.97 117.50 3g6i h TYR 66 Ca 0.10 0.03 -0.06 0.00 0.05 0.00 0.00 58.73 58.85 3g6i h TYR 66 Cb 0.28 -0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.00 3g6i h TYR 66 CO 0.01 -0.00 0.06 0.74 -1.05 0.00 0.00 178.16 177.92 3g6i h PHE 67 N 0.26 0.84 -0.51 4.88 0.04 -1.13 -1.04 116.94 120.28 3g6i h PHE 67 Ca 0.27 -0.12 0.03 0.00 2.80 0.00 0.00 57.97 60.95 3g6i h PHE 67 Cb 0.37 -0.23 -0.04 0.00 2.20 0.00 0.00 35.95 38.25 3g6i h PHE 67 CO -0.23 0.79 0.29 1.49 -0.60 0.00 0.00 178.31 180.05 3g6i h GLU 68 N 0.66 0.55 -0.20 1.51 4.81 -0.58 -0.45 114.58 120.88 3g6i h GLU 68 Ca 0.14 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.33 3g6i h GLU 68 Cb 0.41 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.66 3g6i h GLU 68 CO 0.01 0.37 0.09 -0.07 -0.73 0.00 0.00 179.01 178.68 3g6i h LEU 69 N 0.57 0.27 -0.60 1.64 3.38 -1.04 -2.37 115.31 117.16 3g6i h LEU 69 Ca 0.21 -0.14 0.12 0.00 0.09 0.00 0.00 57.88 58.16 3g6i h LEU 69 Cb 0.06 -0.07 -0.09 0.00 0.09 0.00 0.00 40.66 40.66 3g6i h LEU 69 CO -0.12 0.34 0.09 -1.13 0.09 0.00 0.00 178.44 177.71 3g6i h ASN 70 N 0.18 -0.08 -0.52 -0.43 -0.73 -0.91 -1.56 115.58 111.53 3g6i h ASN 70 Ca 0.07 0.12 -0.06 0.00 1.87 0.00 0.00 56.30 58.30 3g6i h ASN 70 Cb 0.15 0.19 -0.03 0.00 0.27 0.00 0.00 38.32 38.90 3g6i h ASN 70 CO -0.01 -0.03 0.12 0.44 -0.37 0.00 0.00 177.43 177.58 3g6i h ASP 71 N 0.21 0.84 -0.46 1.15 3.32 -0.82 -0.22 116.42 120.44 3g6i h ASP 71 Ca 0.32 -0.16 -0.04 0.00 0.02 0.00 0.00 57.03 57.16 3g6i h ASP 71 Cb 0.49 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.80 3g6i h ASP 71 CO -0.44 0.83 0.14 0.40 -1.72 0.00 0.00 179.24 178.45 3g6i h ILE 72 N 0.85 1.23 -0.01 0.35 2.04 -0.89 -2.69 117.51 118.39 3g6i h ILE 72 Ca 0.18 -0.75 -0.15 0.00 1.00 0.00 0.00 64.86 65.14 3g6i h ILE 72 Cb 0.34 0.84 -0.02 0.00 -0.74 0.00 0.00 36.82 37.24 3g6i h ILE 72 CO 0.00 0.27 -0.69 1.88 0.00 0.00 0.00 178.15 179.61 3g6i h TYR 73 N 0.61 0.05 -0.59 1.37 0.05 -0.99 -1.94 116.97 115.54 3g6i h TYR 73 Ca 0.15 -0.02 -0.01 0.00 0.05 0.00 0.00 58.73 58.90 3g6i h TYR 73 Cb 0.27 -0.01 -0.03 0.00 1.01 0.00 0.00 36.73 37.98 3g6i h TYR 73 CO 0.01 0.71 0.33 1.49 -1.05 0.00 0.00 178.16 179.65 3g6i h GLU 74 N 0.02 0.82 -0.32 4.88 4.81 -0.96 0.32 114.58 124.15 3g6i h GLU 74 Ca -0.01 -0.09 -0.02 0.00 -0.13 0.00 0.00 59.36 59.11 3g6i h GLU 74 Cb 1.22 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 30.43 3g6i h GLU 74 CO 0.09 0.62 0.12 0.82 -0.73 0.00 0.00 179.01 179.94 3g6i h ILE 75 N 0.80 1.19 -0.20 2.32 2.04 -1.36 -1.19 117.51 121.11 3g6i h ILE 75 Ca 0.21 -0.58 0.04 0.00 1.00 0.00 0.00 64.86 65.52 3g6i h ILE 75 Cb 0.04 0.97 -0.03 0.00 -0.74 0.00 0.00 36.82 37.06 3g6i h ILE 75 CO -0.03 0.20 -0.03 -0.09 0.00 0.00 0.00 178.15 178.20 3g6i h ARG 76 N 0.37 0.03 -0.58 2.37 1.12 -1.11 -1.57 114.38 115.00 3g6i h ARG 76 Ca 0.11 -0.00 -0.02 0.00 -1.11 0.00 0.00 59.98 58.95 3g6i h ARG 76 Cb 0.20 -0.01 -0.03 0.00 -0.01 0.00 0.00 29.97 30.13 3g6i h ARG 76 CO -0.01 0.02 0.28 -0.44 -3.11 0.00 0.00 179.97 176.71 3g6i h ASP 77 N 0.03 0.76 -0.69 -3.80 3.32 -0.81 -1.11 116.42 114.12 3g6i h ASP 77 Ca 0.09 -0.13 0.02 0.00 0.02 0.00 0.00 57.03 57.03 3g6i h ASP 77 Cb 0.13 -0.20 -0.04 0.00 0.22 0.00 0.00 39.33 39.45 3g6i h ASP 77 CO -0.18 0.68 0.45 0.00 -1.72 0.00 0.00 179.24 178.46 3g6i h ALA 78 N 1.11 0.88 -0.25 3.45 0.00 -1.06 -0.43 119.26 122.97 3g6i h ALA 78 Ca 0.20 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 3g6i h ALA 78 Cb 0.12 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3g6i h ALA 78 CO -0.03 0.26 0.11 0.87 0.00 0.00 0.00 179.25 180.46 3g6i h LYS 79 N 0.90 0.36 -0.34 0.00 1.79 -0.99 -2.21 116.57 116.08 3g6i h LYS 79 Ca 0.26 -0.06 -0.00 0.00 -2.18 0.00 0.00 60.65 58.67 3g6i h LYS 79 Cb -0.06 -0.06 -0.02 0.00 -1.58 0.00 0.00 32.23 30.51 3g6i h LYS 79 CO -0.07 0.39 0.20 0.28 -1.08 0.00 0.00 179.45 179.16 3g6i h VAL 80 N 0.26 1.13 -0.46 0.50 2.07 -1.04 -1.24 116.25 117.47 3g6i h VAL 80 Ca 0.08 -0.31 0.04 0.00 0.82 0.00 0.00 66.70 67.34 3g6i h VAL 80 Cb 0.15 0.71 -0.04 0.00 -1.52 0.00 0.00 31.29 30.59 3g6i h VAL 80 CO -0.01 0.13 0.22 0.50 0.02 0.00 0.00 177.57 178.43 3g6i h LYS 81 N 0.44 0.42 -0.56 1.57 3.64 -1.05 -0.54 116.57 120.49 3g6i h LYS 81 Ca 0.12 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.47 3g6i h LYS 81 Cb 0.03 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 31.73 3g6i h LYS 81 CO -0.02 0.28 0.34 0.00 -2.27 0.00 0.00 179.45 177.78 3g6i h ALA 82 N 1.25 0.71 -0.22 5.00 0.00 -1.14 -0.62 119.26 124.23 3g6i h ALA 82 Ca 0.20 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.07 3g6i h ALA 82 Cb 0.12 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 3g6i h ALA 82 CO -0.15 0.19 0.09 0.28 0.00 0.00 0.00 179.25 179.65 3g6i h VAL 83 N 0.75 0.96 -0.38 0.00 2.07 -0.99 -1.26 116.25 117.41 3g6i h VAL 83 Ca 0.20 -0.07 -0.03 0.00 0.82 0.00 0.00 66.70 67.62 3g6i h VAL 83 Cb -0.03 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 30.46 3g6i h VAL 83 CO -0.04 0.04 0.11 0.11 0.02 0.00 0.00 177.57 177.81 3g6i h LYS 84 N 0.20 0.55 -0.01 1.57 1.57 -0.86 -1.94 116.57 117.65 3g6i h LYS 84 Ca 0.10 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 3g6i h LYS 84 Cb 0.05 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.26 3g6i h LYS 84 CO -0.09 0.49 -0.15 0.39 -0.57 0.00 0.00 179.45 179.52 3g6i n GLU 85 N -4.35 0.83 -0.62 3.15 1.02 -0.26 -4.92 120.64 115.49 3g6i n GLU 85 Ca 0.02 -0.39 -0.08 0.00 -0.02 0.00 0.00 57.16 56.70 3g6i n GLU 85 Cb 0.17 -1.49 0.05 0.00 -0.02 0.00 0.00 31.44 30.15 3g6i n GLU 85 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 3g6i n SER 86 N -0.74 0.08 0.12 1.62 3.41 -0.50 -5.00 113.62 112.60 3g6i n SER 86 Ca 0.14 -1.16 -0.01 0.00 -0.26 0.00 0.00 58.87 57.58 3g6i n SER 86 Cb 0.31 -0.27 0.05 0.00 -0.26 0.00 0.00 64.21 64.04 3g6i n SER 86 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 3g6i h GLY 87 N -0.44 0.00 -4.71 5.00 0.00 -1.90 -3.48 103.07 97.54 3g6i h GLY 87 Ca -0.12 0.00 -0.64 0.00 0.00 0.00 0.00 47.33 46.57 3g6i h GLY 87 CO 0.09 0.00 -0.35 1.04 0.00 0.00 0.00 176.54 177.32 3g6i n LEU 88 N -3.42 -0.33 -4.17 3.11 4.32 -1.26 -5.01 117.00 110.24 3g6i n LEU 88 Ca 0.00 1.10 -0.11 0.00 -0.02 0.00 0.00 56.01 56.98 3g6i n LEU 88 Cb 0.76 -1.06 -0.09 0.00 -1.62 0.00 0.00 43.42 41.40 3g6i n LEU 88 CO 0.43 -2.58 -0.18 0.42 -1.22 0.00 0.00 177.39 174.25 3g6i s THR 89 N -1.10 0.01 0.00 -5.08 -4.23 -1.26 -4.65 115.64 99.32 3g6i s THR 89 Ca 0.62 -1.91 0.00 0.00 -1.18 0.00 0.00 61.69 59.22 3g6i s THR 89 Cb -0.81 -2.43 0.00 0.00 1.34 0.00 0.00 72.50 70.60 3g6i s THR 89 CO 0.58 -0.03 0.00 0.61 -0.54 0.00 0.00 174.62 175.24 3g6i n GLY 90 N -0.27 2.90 0.18 3.99 0.00 -1.26 -2.50 105.19 108.23 3g6i n GLY 90 Ca 0.01 -0.32 0.05 0.00 0.00 0.00 0.00 46.02 45.77 3g6i n GLY 90 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3g6i h ASP 91 N 7.60 0.00 0.13 1.61 3.32 -1.99 -0.70 116.42 126.39 3g6i h ASP 91 Ca 0.00 0.00 0.01 0.00 0.02 0.00 0.00 57.03 57.06 3g6i h ASP 91 Cb 0.00 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 3g6i h ASP 91 CO 0.00 0.40 -0.19 0.00 -1.72 0.00 0.00 179.24 177.73 3g6i h ALA 92 N 1.60 -0.33 0.35 3.45 0.00 -1.92 0.50 119.26 122.92 3g6i h ALA 92 Ca -0.00 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 3g6i h ALA 92 Cb 0.94 0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.99 3g6i h ALA 92 CO 0.05 -0.72 -0.32 -0.22 0.00 0.00 0.00 179.25 178.04 3g6i h LYS 93 N -0.37 -0.67 -0.28 0.00 3.64 -1.09 -2.10 116.57 115.71 3g6i h LYS 93 Ca 0.02 0.05 -0.07 0.00 -1.27 0.00 0.00 60.65 59.37 3g6i h LYS 93 Cb 0.38 0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 32.33 3g6i h LYS 93 CO -0.09 -0.44 -0.13 -0.91 -2.27 0.00 0.00 179.45 175.61 3g6i h ASN 94 N -0.69 0.46 0.00 4.20 4.21 -1.04 -1.24 115.58 121.48 3g6i h ASN 94 Ca -0.02 -0.12 -0.14 0.00 1.21 0.00 0.00 56.30 57.23 3g6i h ASN 94 Cb 0.62 -0.12 -0.01 0.00 -1.12 0.00 0.00 38.32 37.68 3g6i h ASN 94 CO -0.04 0.63 -0.44 -0.33 -1.29 0.00 0.00 177.43 175.96 3g6i h GLU 95 N 0.44 0.53 -0.65 0.81 3.07 -0.87 -0.88 114.58 117.03 3g6i h GLU 95 Ca 0.08 -0.28 -0.07 0.00 -0.50 0.00 0.00 59.36 58.59 3g6i h GLU 95 Cb 0.49 0.01 -0.03 0.00 -0.84 0.00 0.00 28.75 28.39 3g6i h GLU 95 CO 0.03 0.87 0.12 0.00 -1.40 0.00 0.00 179.01 178.63 3g6i h ALA 96 N 1.09 0.98 -0.17 3.43 0.00 -0.63 -1.02 119.26 122.95 3g6i h ALA 96 Ca 0.03 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.65 3g6i h ALA 96 Cb 0.94 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 3g6i h ALA 96 CO 0.08 0.65 -0.03 -0.07 0.00 0.00 0.00 179.25 179.88 3g6i h LEU 97 N 0.99 0.32 -1.48 0.00 3.38 -1.05 -2.20 115.31 115.27 3g6i h LEU 97 Ca 0.20 -0.35 0.01 0.00 0.09 0.00 0.00 57.88 57.83 3g6i h LEU 97 Cb 0.41 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.04 3g6i h LEU 97 CO 0.01 0.59 0.36 0.50 0.09 0.00 0.00 178.44 179.99 3g6i h LYS 98 N 0.04 0.69 -0.53 1.13 1.63 -1.06 -2.10 116.57 116.36 3g6i h LYS 98 Ca 0.04 -0.04 -0.11 0.00 -0.85 0.00 0.00 60.65 59.69 3g6i h LYS 98 Cb 0.45 -0.16 -0.02 0.00 -0.60 0.00 0.00 32.23 31.90 3g6i h LYS 98 CO 0.01 0.46 -0.10 0.00 -3.45 0.00 0.00 179.45 176.37 3g6i h ALA 99 N 1.67 0.73 -0.62 5.00 0.00 -0.97 -0.71 119.26 124.36 3g6i h ALA 99 Ca 0.21 -0.35 0.02 0.00 0.00 0.00 0.00 54.91 54.79 3g6i h ALA 99 Cb -0.03 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.53 3g6i h ALA 99 CO -0.05 0.64 0.39 0.00 0.00 0.00 0.00 179.25 180.23 3g6i h ALA 100 N 0.92 0.79 -0.54 0.00 0.00 -0.91 -1.22 119.26 118.30 3g6i h ALA 100 Ca 0.14 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 3g6i h ALA 100 Cb 0.66 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 3g6i h ALA 100 CO 0.05 0.16 0.06 1.49 0.00 0.00 0.00 179.25 181.00 3g6i h GLU 101 N 0.78 0.89 -0.47 0.00 4.57 -1.15 -2.08 114.58 117.12 3g6i h GLU 101 Ca 0.24 -0.23 -0.08 0.00 -1.18 0.00 0.00 59.36 58.12 3g6i h GLU 101 Cb -0.02 -0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 28.44 3g6i h GLU 101 CO -0.08 0.85 -0.01 -0.91 -1.18 0.00 0.00 179.01 177.68 3g6i h ASN 102 N 0.84 0.82 -0.84 1.04 2.35 -0.89 -0.46 115.58 118.44 3g6i h ASN 102 Ca 0.17 -0.31 0.03 0.00 -0.55 0.00 0.00 56.30 55.64 3g6i h ASN 102 Cb 0.42 -0.22 -0.05 0.00 0.05 0.00 0.00 38.32 38.52 3g6i h ASN 102 CO 0.01 0.93 0.54 -0.08 -1.65 0.00 0.00 177.43 177.19 3g6i h GLU 103 N 0.69 1.02 -0.18 0.81 4.81 -1.11 0.25 114.58 120.87 3g6i h GLU 103 Ca 0.13 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.29 3g6i h GLU 103 Cb 0.52 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.66 3g6i h GLU 103 CO 0.03 0.68 0.07 -0.22 -0.73 0.00 0.00 179.01 178.83 3g6i h LYS 104 N 1.05 0.28 -0.40 1.92 3.11 -1.06 -2.15 116.57 119.32 3g6i h LYS 104 Ca 0.33 -0.05 -0.06 0.00 -2.81 0.00 0.00 60.65 58.06 3g6i h LYS 104 Cb -0.00 -0.04 -0.02 0.00 -1.00 0.00 0.00 32.23 31.16 3g6i h LYS 104 CO -0.11 0.36 0.01 -0.44 -2.81 0.00 0.00 179.45 176.46 3g6i h ASP 105 N 0.14 0.60 -0.62 4.20 3.32 -0.71 -1.59 116.42 121.75 3g6i h ASP 105 Ca 0.06 -0.12 -0.09 0.00 0.02 0.00 0.00 57.03 56.90 3g6i h ASP 105 Cb 0.19 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.56 3g6i h ASP 105 CO -0.00 0.67 0.06 0.00 -1.72 0.00 0.00 179.24 178.24 3g6i h ALA 106 N 1.41 0.90 -0.69 3.45 0.00 -0.83 -0.21 119.26 123.29 3g6i h ALA 106 Ca 0.13 -0.29 -0.07 0.00 0.00 0.00 0.00 54.91 54.68 3g6i h ALA 106 Cb 0.37 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 3g6i h ALA 106 CO 0.01 0.66 0.16 0.00 0.00 0.00 0.00 179.25 180.08 3g6i h ALA 107 N 1.06 0.92 -0.15 0.00 0.00 -1.00 -0.89 119.26 119.19 3g6i h ALA 107 Ca 0.19 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 3g6i h ALA 107 Cb 0.49 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 3g6i h ALA 107 CO 0.02 0.65 0.09 -0.07 0.00 0.00 0.00 179.25 179.94 3g6i h LEU 108 N 1.05 0.18 -0.12 0.00 3.38 -1.06 -2.70 115.31 116.04 3g6i h LEU 108 Ca 0.22 -0.04 0.03 0.00 0.09 0.00 0.00 57.88 58.18 3g6i h LEU 108 Cb 0.39 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.06 3g6i h LEU 108 CO 0.00 0.16 -0.07 0.22 0.09 0.00 0.00 178.44 178.85 3g6i h TYR 109 N 0.18 -0.16 0.00 1.13 3.20 -0.88 -0.48 116.97 119.97 3g6i h TYR 109 Ca 0.05 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.91 3g6i h TYR 109 Cb 0.01 0.09 -0.00 0.00 1.54 0.00 0.00 36.73 38.37 3g6i h TYR 109 CO -0.06 -0.11 -0.16 0.00 -1.64 0.00 0.00 178.16 176.20 3g6i h ARG 110 N -0.06 0.00 -0.02 1.82 -0.00 -1.14 -2.91 114.38 112.08 3g6i h ARG 110 Ca 0.07 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.55 3g6i h ARG 110 Cb 0.16 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.13 3g6i h ARG 110 CO -0.16 0.16 -0.20 -1.13 0.00 0.00 0.00 179.97 178.64 3g6i n SER 111 N -3.98 1.92 -0.09 7.04 3.41 -1.02 -4.69 113.62 116.20 3g6i n SER 111 Ca -0.02 -1.46 -0.12 0.00 -0.26 0.00 0.00 58.87 57.01 3g6i n SER 111 Cb 0.24 0.28 -0.04 0.00 -0.26 0.00 0.00 64.21 64.43 3g6i n SER 111 CO 0.00 0.00 0.00 -0.74 -0.16 0.00 0.00 175.04 174.14 3g6i h HIS 112 N 2.36 0.57 0.00 7.33 6.17 -0.88 -3.25 115.15 127.45 3g6i h HIS 112 Ca 0.00 -0.12 -0.03 0.00 0.71 0.00 0.00 60.37 60.93 3g6i h HIS 112 Cb 0.60 -0.14 -0.00 0.00 2.52 0.00 0.00 27.41 30.39 3g6i h HIS 112 CO 0.00 0.72 -0.18 0.74 0.71 0.00 0.00 177.93 179.91 3g6i h PHE 113 N 0.26 0.00 -0.13 5.26 0.04 -1.84 -3.13 116.94 117.40 3g6i h PHE 113 Ca 0.07 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.81 3g6i h PHE 113 Cb 0.53 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.67 3g6i h PHE 113 CO 0.05 0.15 -0.05 0.00 -0.60 0.00 0.00 178.31 177.87 3g6i h ALA 114 N 1.85 1.68 0.50 2.45 0.00 -1.86 -2.76 119.26 121.12 3g6i h ALA 114 Ca -0.00 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 3g6i h ALA 114 Cb 1.12 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.84 3g6i h ALA 114 CO 0.02 0.24 -0.24 0.35 0.00 0.00 0.00 179.25 179.62 3g6i h PHE 115 N 0.19 -0.62 -0.02 0.00 3.57 -1.63 -0.83 116.94 117.58 3g6i h PHE 115 Ca 0.04 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.48 3g6i h PHE 115 Cb 0.21 0.21 -0.01 0.00 2.79 0.00 0.00 35.95 39.15 3g6i h PHE 115 CO 0.00 -0.30 -0.20 -1.00 -2.23 0.00 0.00 178.31 174.59 3g6i h PRO 116 N -0.99 0.04 -0.25 6.41 0.13 -1.74 -0.89 132.00 134.71 3g6i h PRO 116 Ca -0.07 -0.01 0.04 0.00 -0.87 0.00 0.00 66.00 65.10 3g6i h PRO 116 Cb 0.60 -0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.69 3g6i h PRO 116 CO 0.11 0.23 -0.02 0.00 -0.23 0.00 0.00 178.00 178.10 3g6i h ALA 117 N 1.77 0.20 -0.59 -0.56 0.00 -1.37 0.19 119.26 118.90 3g6i h ALA 117 Ca 0.01 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 3g6i h ALA 117 Cb 0.37 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 3g6i h ALA 117 CO 0.03 -0.44 0.33 0.77 0.00 0.00 0.00 179.25 179.95 3g6i h SER 118 N 0.05 0.72 -0.23 0.00 0.02 -0.67 -2.88 113.55 110.56 3g6i h SER 118 Ca 0.12 -0.08 -0.08 0.00 -0.84 0.00 0.00 61.79 60.91 3g6i h SER 118 Cb 0.16 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.50 3g6i h SER 118 CO -0.21 0.59 -0.09 -0.07 -1.14 0.00 0.00 176.83 175.91 3g6i h LEU 119 N 0.79 0.59 -0.59 5.07 3.38 -0.96 -2.73 115.31 120.87 3g6i h LEU 119 Ca 0.21 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3g6i h LEU 119 Cb 0.02 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.61 3g6i h LEU 119 CO -0.04 0.73 0.00 -1.54 0.09 0.00 0.00 178.44 177.68 3g6i n SER 120 N -4.20 0.39 0.27 -0.43 3.41 0.04 -0.58 113.62 112.52 3g6i n SER 120 Ca 0.01 0.62 0.16 0.00 -0.26 0.00 0.00 58.87 59.40 3g6i n SER 120 Cb 0.32 -0.70 0.75 0.00 -0.26 0.00 0.00 64.21 64.33 3g6i n SER 120 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3g6i h LEU 121 N 0.00 0.00 0.00 1.04 3.38 -1.49 -3.36 115.31 114.88 3g6i h LEU 121 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3g6i h LEU 121 Cb 0.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.95 3g6i h LEU 121 CO 0.00 0.08 -0.72 0.49 0.09 0.00 0.00 178.44 178.38 3g6i n PHE 122 N -3.31 0.00 -4.32 1.13 3.72 -0.12 -5.10 117.46 109.46 3g6i n PHE 122 Ca -0.01 0.00 -0.25 0.00 -0.05 0.00 0.00 57.45 57.14 3g6i n PHE 122 Cb 0.27 0.00 -0.12 0.00 -0.94 0.00 0.00 39.48 38.68 3g6i n PHE 122 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 3g6i s LEU 123 N -2.87 2.33 0.90 4.37 1.43 0.26 -5.10 118.68 120.00 3g6i s LEU 123 Ca 0.00 -0.73 -0.13 0.00 -1.03 0.00 0.00 54.13 52.24 3g6i s LEU 123 Cb 0.00 -0.96 0.17 0.00 0.03 0.00 0.00 46.19 45.43 3g6i s LEU 123 CO 0.00 0.08 1.24 0.54 0.23 0.00 0.00 176.35 178.44 3g6i s ASN 124 N -2.07 3.52 0.31 2.29 2.20 -1.26 -4.42 114.94 115.51 3g6i s ASN 124 Ca 0.10 0.23 0.04 0.00 -0.94 0.00 0.00 52.86 52.29 3g6i s ASN 124 Cb -0.09 -0.40 0.51 0.00 -2.00 0.00 0.00 41.25 39.26 3g6i s ASN 124 CO 0.05 -2.46 1.80 -0.33 -2.94 0.00 0.00 177.10 173.21 3g6i h GLU 125 N -1.37 0.48 -0.59 3.55 4.39 -1.99 -1.27 114.58 117.79 3g6i h GLU 125 Ca -0.43 -0.14 -0.09 0.00 0.34 0.00 0.00 59.36 59.04 3g6i h GLU 125 Cb 1.25 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 29.83 3g6i h GLU 125 CO 0.42 0.62 0.02 1.49 -1.16 0.00 0.00 179.01 180.40 3g6i h GLU 126 N 0.44 1.02 -0.44 2.33 4.81 -1.99 -1.66 114.58 119.10 3g6i h GLU 126 Ca 0.08 -0.31 -0.13 0.00 -0.13 0.00 0.00 59.36 58.86 3g6i h GLU 126 Cb 0.51 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.78 3g6i h GLU 126 CO 0.03 1.00 -0.24 1.96 -0.73 0.00 0.00 179.01 181.03 3g6i h GLN 127 N 0.92 0.94 -0.61 1.92 4.20 -1.83 -1.02 115.11 119.62 3g6i h GLN 127 Ca 0.17 -0.42 0.05 0.00 0.06 0.00 0.00 58.65 58.51 3g6i h GLN 127 Cb 0.52 -0.02 -0.05 0.00 0.30 0.00 0.00 27.48 28.23 3g6i h GLN 127 CO 0.03 1.08 0.33 0.82 -0.67 0.00 0.00 178.83 180.42 3g6i h ILE 128 N 0.77 0.97 -0.63 2.54 2.04 -1.13 -0.73 117.51 121.33 3g6i h ILE 128 Ca 0.09 -0.21 0.01 0.00 1.00 0.00 0.00 64.86 65.75 3g6i h ILE 128 Cb 0.82 0.29 -0.03 0.00 -0.74 0.00 0.00 36.82 37.16 3g6i h ILE 128 CO 0.07 0.11 0.42 -0.08 0.00 0.00 0.00 178.15 178.67 3g6i h GLU 129 N 0.62 0.84 -0.80 2.37 4.81 -1.17 -1.72 114.58 119.52 3g6i h GLU 129 Ca 0.27 -0.05 0.03 0.00 -0.13 0.00 0.00 59.36 59.48 3g6i h GLU 129 Cb 0.16 -0.19 -0.05 0.00 0.63 0.00 0.00 28.75 29.31 3g6i h GLU 129 CO -0.17 0.56 0.53 0.00 -0.73 0.00 0.00 179.01 179.20 3g6i h ALA 130 N 1.23 1.51 -0.57 2.92 0.00 -0.57 -0.50 119.26 123.28 3g6i h ALA 130 Ca 0.23 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 55.03 3g6i h ALA 130 Cb -0.09 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.39 3g6i h ALA 130 CO -0.05 0.42 0.09 0.28 0.00 0.00 0.00 179.25 179.99 3g6i h VAL 131 N 1.00 1.26 -0.72 0.00 2.07 -0.51 0.29 116.25 119.63 3g6i h VAL 131 Ca 0.32 -0.98 -0.07 0.00 0.82 0.00 0.00 66.70 66.79 3g6i h VAL 131 Cb 0.03 0.79 -0.03 0.00 -1.52 0.00 0.00 31.29 30.55 3g6i h VAL 131 CO -0.09 0.36 0.19 0.11 0.02 0.00 0.00 177.57 178.16 3g6i h LYS 132 N 0.84 1.14 -0.41 1.57 1.57 -0.70 -2.55 116.57 118.04 3g6i h LYS 132 Ca 0.17 -0.26 -0.03 0.00 -1.87 0.00 0.00 60.65 58.66 3g6i h LYS 132 Cb 0.42 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.56 3g6i h LYS 132 CO 0.01 0.99 0.14 -0.44 -0.57 0.00 0.00 179.45 179.58 3g6i h ASP 133 N 1.08 0.58 0.00 0.86 3.32 -0.85 -2.57 116.42 118.85 3g6i h ASP 133 Ca 0.23 -0.19 0.00 0.00 0.02 0.00 0.00 57.03 57.09 3g6i h ASP 133 Cb 0.35 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.75 3g6i h ASP 133 CO -0.00 0.62 0.00 0.61 -1.72 0.00 0.00 179.24 178.75 3g6i n GLY 134 N -0.70 0.00 0.00 2.75 0.00 0.07 -0.82 105.19 106.49 3g6i n GLY 134 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3g6i n GLY 134 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3g6i n THR 136 N 0.84 0.00 -2.29 2.61 -2.24 -0.97 -4.73 114.28 107.50 3g6i n THR 136 Ca 0.00 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.62 3g6i n THR 136 Cb 0.00 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.21 3g6i n THR 136 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 3g6i n TYR 137 N 0.00 -1.08 -1.95 4.78 4.01 -0.60 -2.30 117.16 120.02 3g6i n TYR 137 Ca 0.00 0.00 -0.21 0.00 -0.16 0.00 0.00 57.90 57.53 3g6i n TYR 137 Cb 0.00 -3.30 -0.05 0.00 -0.31 0.00 0.00 39.34 35.68 3g6i n TYR 137 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3g6i n GLY 138 N -0.83 0.87 0.22 2.72 0.00 -0.00 -4.88 105.19 103.29 3g6i n GLY 138 Ca -0.19 0.00 0.08 0.00 0.00 0.00 0.00 46.02 45.91 3g6i n GLY 138 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3g6i h VAL 139 N 0.00 0.84 0.61 1.61 2.07 -1.73 -2.61 116.25 117.04 3g6i h VAL 139 Ca -0.45 -0.97 -0.03 0.00 0.82 0.00 0.00 66.70 66.08 3g6i h VAL 139 Cb 1.35 1.58 -0.00 0.00 -1.52 0.00 0.00 31.29 32.70 3g6i h VAL 139 CO 0.60 0.24 -0.34 0.58 0.02 0.00 0.00 177.57 178.67 3g6i h VAL 140 N 0.00 0.30 -0.39 2.57 2.07 -1.90 -0.25 116.25 118.65 3g6i h VAL 140 Ca -0.00 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.49 3g6i h VAL 140 Cb 0.56 0.30 -0.02 0.00 -1.52 0.00 0.00 31.29 30.61 3g6i h VAL 140 CO 0.03 0.00 0.12 0.50 0.02 0.00 0.00 177.57 178.24 3g6i h LYS 141 N -0.89 0.61 -0.38 1.57 3.64 -1.95 -0.58 116.57 118.59 3g6i h LYS 141 Ca -0.08 -0.13 0.02 0.00 -1.27 0.00 0.00 60.65 59.19 3g6i h LYS 141 Cb 0.71 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.41 3g6i h LYS 141 CO 0.10 0.62 0.22 0.28 -2.27 0.00 0.00 179.45 178.40 3g6i h VAL 142 N 0.48 1.03 -0.35 2.00 2.07 -1.38 -0.57 116.25 119.53 3g6i h VAL 142 Ca 0.12 -0.15 -0.07 0.00 0.82 0.00 0.00 66.70 67.42 3g6i h VAL 142 Cb 0.27 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 30.57 3g6i h VAL 142 CO -0.00 0.08 -0.07 0.74 0.02 0.00 0.00 177.57 178.34 3g6i h THR 143 N 0.45 1.27 -0.12 2.57 2.02 -0.87 -1.54 112.91 116.69 3g6i h THR 143 Ca 0.15 -1.11 -0.00 0.00 0.77 0.00 0.00 66.41 66.22 3g6i h THR 143 Cb 0.01 1.28 -0.01 0.00 -1.74 0.00 0.00 68.15 67.70 3g6i h THR 143 CO -0.08 0.37 0.06 0.22 0.37 0.00 0.00 175.52 176.46 3g6i h TYR 144 N 0.46 0.17 -0.52 3.16 3.20 -0.83 -0.60 116.97 122.02 3g6i h TYR 144 Ca 0.09 -0.01 -0.09 0.00 3.14 0.00 0.00 58.73 61.86 3g6i h TYR 144 Cb 0.56 -0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.76 3g6i h TYR 144 CO 0.05 0.22 -0.04 0.93 -1.64 0.00 0.00 178.16 177.68 3g6i h GLU 145 N 0.07 0.90 -0.71 1.82 5.08 -1.11 -1.92 114.58 118.71 3g6i h GLU 145 Ca 0.04 -0.28 -0.05 0.00 -1.00 0.00 0.00 59.36 58.07 3g6i h GLU 145 Cb 0.11 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.25 3g6i h GLU 145 CO -0.01 0.92 0.24 0.00 -1.00 0.00 0.00 179.01 179.16 3g6i h ALA 146 N 1.13 0.93 -0.45 3.43 0.00 -1.08 -0.72 119.26 122.50 3g6i h ALA 146 Ca 0.15 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 3g6i h ALA 146 Cb 0.54 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 3g6i h ALA 146 CO 0.03 0.60 0.13 1.15 0.00 0.00 0.00 179.25 181.16 3g6i h THR 147 N 1.05 1.23 -0.42 0.00 2.02 -0.74 -2.72 112.91 113.33 3g6i h THR 147 Ca 0.23 -0.76 -0.08 0.00 0.77 0.00 0.00 66.41 66.58 3g6i h THR 147 Cb 0.28 0.88 -0.02 0.00 -1.74 0.00 0.00 68.15 67.55 3g6i h THR 147 CO -0.01 0.27 -0.05 -0.07 0.37 0.00 0.00 175.52 176.03 3g6i h LEU 148 N 0.59 0.68 -1.19 2.58 4.07 -1.19 -1.01 115.31 119.84 3g6i h LEU 148 Ca 0.14 -0.17 0.00 0.00 0.08 0.00 0.00 57.88 57.93 3g6i h LEU 148 Cb 0.28 -0.18 0.00 0.00 1.08 0.00 0.00 40.66 41.84 3g6i h LEU 148 CO -0.00 0.78 0.00 -0.67 -1.08 0.00 0.00 178.44 177.47 3g6i n ASP 149 N -4.21 0.48 -2.48 -0.43 2.03 -0.29 -3.12 116.55 108.53 3g6i n ASP 149 Ca 0.02 -0.69 -0.04 0.00 0.52 0.00 0.00 54.79 54.59 3g6i n ASP 149 Cb 0.31 -0.17 -0.04 0.00 -0.72 0.00 0.00 41.12 40.50 3g6i n ASP 149 CO 0.00 0.00 0.00 -0.38 -1.92 0.00 0.00 177.20 174.90 3g6i n ILE 151 N 0.42 0.00 0.34 5.18 5.41 -0.38 -4.96 119.36 125.37 3g6i n ILE 151 Ca 0.00 -0.30 0.13 0.00 1.00 0.00 0.00 62.75 63.58 3g6i n ILE 151 Cb 0.10 0.00 0.55 0.00 -0.71 0.00 0.00 39.64 39.58 3g6i n ILE 151 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 176.55 175.90 3g6i h PRO 152 N 5.74 0.00 -0.00 0.38 0.11 -1.83 -3.05 132.00 133.35 3g6i h PRO 152 Ca 0.01 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.12 3g6i h PRO 152 Cb 0.62 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.73 3g6i h PRO 152 CO 0.72 0.00 -0.02 -1.13 -0.21 0.00 0.00 178.00 177.36 3g6i n SER 153 N -2.35 0.41 -4.59 -2.05 3.41 -1.26 -4.97 113.62 102.21 3g6i n SER 153 Ca 0.01 -0.98 -0.46 0.00 -0.26 0.00 0.00 58.87 57.18 3g6i n SER 153 Cb 0.20 -0.03 -0.02 0.00 -0.26 0.00 0.00 64.21 64.09 3g6i n SER 153 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3g6i n LEU 154 N -0.75 1.81 -4.82 1.04 4.77 -1.16 -4.98 117.00 112.92 3g6i n LEU 154 Ca 0.21 1.17 -0.32 0.00 -0.03 0.00 0.00 56.01 57.03 3g6i n LEU 154 Cb 0.20 -1.28 0.02 0.00 -2.33 0.00 0.00 43.42 40.03 3g6i n LEU 154 CO 0.19 -1.30 0.71 -0.54 -1.33 0.00 0.00 177.39 175.12 3g6i s LYS 155 N -1.12 3.28 0.17 3.23 -0.14 -1.26 -4.90 119.74 118.99 3g6i s LYS 155 Ca 0.64 1.04 -0.14 0.00 -1.36 0.00 0.00 55.97 56.15 3g6i s LYS 155 Cb -0.74 -2.03 0.13 0.00 -1.68 0.00 0.00 37.83 33.51 3g6i s LYS 155 CO 0.57 -0.83 1.74 0.93 -0.76 0.00 0.00 175.35 177.00 3g6i h GLU 156 N 0.00 0.29 -0.17 1.68 4.39 -2.00 -1.56 114.58 117.22 3g6i h GLU 156 Ca -0.45 -0.02 -0.02 0.00 0.34 0.00 0.00 59.36 59.21 3g6i h GLU 156 Cb 1.21 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.78 3g6i h GLU 156 CO 0.58 0.19 0.03 1.05 -1.16 0.00 0.00 179.01 179.70 3g6i h GLU 157 N 0.30 0.24 -0.21 2.33 4.11 -2.00 -1.90 114.58 117.45 3g6i h GLU 157 Ca 0.21 -0.03 -0.09 0.00 0.07 0.00 0.00 59.36 59.52 3g6i h GLU 157 Cb 0.22 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.43 3g6i h GLU 157 CO -0.23 0.23 -0.23 0.93 0.07 0.00 0.00 179.01 179.78 3g6i h GLU 158 N 0.24 0.52 -0.94 1.06 5.08 -1.69 -2.00 114.58 116.85 3g6i h GLU 158 Ca 0.06 -0.28 0.05 0.00 -1.00 0.00 0.00 59.36 58.19 3g6i h GLU 158 Cb 0.11 0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.32 3g6i h GLU 158 CO -0.00 0.87 0.60 0.87 -1.00 0.00 0.00 179.01 180.35 3g6i h LYS 159 N 0.20 1.11 -0.39 2.33 1.57 -0.89 -0.16 116.57 120.33 3g6i h LYS 159 Ca 0.03 -0.07 -0.04 0.00 -1.87 0.00 0.00 60.65 58.70 3g6i h LYS 159 Cb 0.78 -0.25 -0.02 0.00 0.08 0.00 0.00 32.23 32.83 3g6i h LYS 159 CO 0.06 0.73 0.07 0.28 -0.57 0.00 0.00 179.45 180.02 3g6i h VAL 160 N 1.14 1.24 -0.36 0.50 2.07 -1.29 -0.81 116.25 118.73 3g6i h VAL 160 Ca 0.39 -0.85 -0.02 0.00 0.82 0.00 0.00 66.70 67.04 3g6i h VAL 160 Cb 0.08 1.03 -0.02 0.00 -1.52 0.00 0.00 31.29 30.86 3g6i h VAL 160 CO -0.14 0.29 0.15 -0.61 0.02 0.00 0.00 177.57 177.27 3g6i h GLN 161 N 0.50 0.54 -0.29 1.57 5.75 -1.01 -1.06 115.11 121.10 3g6i h GLN 161 Ca 0.12 -0.10 0.01 0.00 -0.15 0.00 0.00 58.65 58.53 3g6i h GLN 161 Cb 0.36 -0.09 -0.02 0.00 1.07 0.00 0.00 27.48 28.80 3g6i h GLN 161 CO 0.01 0.52 0.18 0.82 -2.65 0.00 0.00 178.83 177.71 3g6i h ILE 162 N 0.44 1.05 -0.62 2.39 2.04 -0.96 -2.18 117.51 119.67 3g6i h ILE 162 Ca 0.12 -0.13 -0.04 0.00 1.00 0.00 0.00 64.86 65.81 3g6i h ILE 162 Cb 0.18 0.65 -0.03 0.00 -0.74 0.00 0.00 36.82 36.88 3g6i h ILE 162 CO -0.01 0.07 0.22 0.22 0.00 0.00 0.00 178.15 178.65 3g6i h TYR 163 N 0.37 0.97 -0.82 1.37 3.20 -1.04 -2.23 116.97 118.78 3g6i h TYR 163 Ca 0.11 -0.09 0.05 0.00 3.14 0.00 0.00 58.73 61.95 3g6i h TYR 163 Cb -0.02 -0.28 -0.06 0.00 1.54 0.00 0.00 36.73 37.91 3g6i h TYR 163 CO -0.07 0.78 0.51 0.00 -1.64 0.00 0.00 178.16 177.74 3g6i h ALA 164 N 1.08 1.11 -0.07 1.82 0.00 -0.92 -2.09 119.26 120.19 3g6i h ALA 164 Ca 0.20 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.96 3g6i h ALA 164 Cb 0.25 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3g6i h ALA 164 CO -0.01 0.26 -0.57 -1.49 0.00 0.00 0.00 179.25 177.43 3g6i h TRP 165 N 0.94 0.29 -0.51 0.00 6.55 -1.21 -1.75 115.95 120.25 3g6i h TRP 165 Ca 0.35 -0.11 -0.11 0.00 0.95 0.00 0.00 58.89 59.98 3g6i h TRP 165 Cb 0.14 -0.05 -0.02 0.00 -0.86 0.00 0.00 29.16 28.36 3g6i h TRP 165 CO -0.04 0.75 -0.11 -0.07 -1.05 0.00 0.00 178.44 177.92 3g6i h LEU 166 N 0.17 0.96 -0.50 -4.49 3.38 -1.03 -0.05 115.31 113.75 3g6i h LEU 166 Ca -0.00 -0.31 -0.01 0.00 0.09 0.00 0.00 57.88 57.64 3g6i h LEU 166 Cb 1.06 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.53 3g6i h LEU 166 CO 0.09 1.07 0.26 0.58 0.09 0.00 0.00 178.44 180.53 3g6i h VAL 167 N 0.85 1.18 -0.09 1.22 2.07 -1.30 -1.64 116.25 118.55 3g6i h VAL 167 Ca 0.13 -0.48 0.01 0.00 0.82 0.00 0.00 66.70 67.18 3g6i h VAL 167 Cb 0.66 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 31.00 3g6i h VAL 167 CO 0.05 0.20 0.01 -0.08 0.02 0.00 0.00 177.57 177.77 3g6i h GLU 168 N 0.67 0.05 -0.84 1.57 4.81 -1.22 -2.74 114.58 116.88 3g6i h GLU 168 Ca 0.17 -0.00 0.12 0.00 -0.13 0.00 0.00 59.36 59.52 3g6i h GLU 168 Cb 0.08 -0.01 -0.08 0.00 0.63 0.00 0.00 28.75 29.36 3g6i h GLU 168 CO -0.03 0.03 0.46 0.00 -0.73 0.00 0.00 179.01 178.75 3g6i h ALA 169 N 1.07 1.23 -0.51 2.92 0.00 -0.79 -1.74 119.26 121.43 3g6i h ALA 169 Ca 0.04 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 3g6i h ALA 169 Cb 0.04 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 3g6i h ALA 169 CO -0.06 0.01 0.20 -0.09 0.00 0.00 0.00 179.25 179.32 3g6i h ARG 170 N 0.72 0.74 -0.83 0.00 2.43 -1.01 0.14 114.38 116.56 3g6i h ARG 170 Ca 0.43 -0.11 0.01 0.00 -0.81 0.00 0.00 59.98 59.50 3g6i h ARG 170 Cb 0.50 -0.13 -0.04 0.00 -0.42 0.00 0.00 29.97 29.88 3g6i h ARG 170 CO -0.30 0.61 0.54 0.93 -1.51 0.00 0.00 179.97 180.24 3g6i h GLU 171 N 0.73 1.11 -0.07 0.20 4.39 -1.05 -2.95 114.58 116.94 3g6i h GLU 171 Ca 0.18 -0.08 -0.11 0.00 0.34 0.00 0.00 59.36 59.69 3g6i h GLU 171 Cb 0.15 -0.25 0.01 0.00 -0.10 0.00 0.00 28.75 28.56 3g6i h GLU 171 CO -0.02 0.74 -0.40 0.74 -1.16 0.00 0.00 179.01 178.91 3g6i h PHE 172 N 1.13 0.54 0.00 4.33 0.04 -1.27 -3.33 116.94 118.38 3g6i h PHE 172 Ca 0.30 -0.24 0.00 0.00 2.80 0.00 0.00 57.97 60.83 3g6i h PHE 172 Cb -0.11 -0.08 0.00 0.00 2.20 0.00 0.00 35.95 37.96 3g6i h PHE 172 CO -0.01 1.00 0.00 0.00 -0.60 0.00 0.00 178.31 178.70 3g6i n ALA 173 N -2.53 1.43 0.00 2.45 0.00 0.43 -2.76 120.51 119.53 3g6i n ALA 173 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.36 3g6i n ALA 173 Cb 0.55 -1.85 0.00 0.00 0.00 0.00 0.00 19.45 18.15 3g6i n ALA 173 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3g6i n ASP 175 N 1.90 0.00 -4.78 0.00 8.00 -1.25 -4.75 116.55 115.66 3g6i n ASP 175 Ca 0.00 0.00 -0.30 0.00 0.71 0.00 0.00 54.79 55.20 3g6i n ASP 175 Cb 0.00 0.00 0.09 0.00 -0.02 0.00 0.00 41.12 41.19 3g6i n ASP 175 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3g6i s ALA 176 N 0.00 2.18 0.20 2.24 0.00 -1.11 -4.98 121.76 120.29 3g6i s ALA 176 Ca 0.00 -0.04 -0.00 0.00 0.00 0.00 0.00 51.96 51.91 3g6i s ALA 176 Cb 0.00 -3.16 0.15 0.00 0.00 0.00 0.00 23.12 20.11 3g6i s ALA 176 CO 0.00 -1.77 1.51 1.05 0.00 0.00 0.00 175.76 176.55 3g6i h GLU 177 N -1.12 0.43 -2.70 0.00 9.09 -1.92 -3.47 114.58 114.88 3g6i h GLU 177 Ca -0.46 -0.29 0.09 0.00 0.05 0.00 0.00 59.36 58.75 3g6i h GLU 177 Cb 1.25 0.04 -0.03 0.00 -1.65 0.00 0.00 28.75 28.36 3g6i h GLU 177 CO 0.56 0.90 0.43 0.54 0.05 0.00 0.00 179.01 181.49 3g6i s ASN 178 N -6.92 -0.05 0.18 3.06 2.20 -1.26 -4.97 114.94 107.18 3g6i s ASN 178 Ca -0.06 -0.79 -0.14 0.00 -0.94 0.00 0.00 52.86 50.93 3g6i s ASN 178 Cb 0.11 0.64 0.18 0.00 -2.00 0.00 0.00 41.25 40.18 3g6i s ASN 178 CO 0.83 -1.25 1.68 -1.28 -2.94 0.00 0.00 177.10 174.14 3g6i h SER 179 N 2.00 -0.22 -0.42 3.54 0.87 -1.99 -0.82 113.55 116.52 3g6i h SER 179 Ca -0.28 0.12 0.05 0.00 -1.23 0.00 0.00 61.79 60.45 3g6i h SER 179 Cb 1.23 0.21 -0.05 0.00 -0.44 0.00 0.00 62.40 63.35 3g6i h SER 179 CO 0.34 -0.07 0.13 0.78 -0.53 0.00 0.00 176.83 177.49 3g6i h ASN 180 N 0.11 0.13 0.26 6.23 2.35 -1.99 -1.38 115.58 121.28 3g6i h ASN 180 Ca 0.24 0.05 -0.12 0.00 -0.55 0.00 0.00 56.30 55.93 3g6i h ASN 180 Cb 0.36 0.05 -0.01 0.00 0.05 0.00 0.00 38.32 38.77 3g6i h ASN 180 CO -0.41 0.11 -0.47 0.11 -1.65 0.00 0.00 177.43 175.11 3g6i h LYS 181 N 0.29 0.25 -0.05 0.81 1.79 -1.85 -1.74 116.57 116.07 3g6i h LYS 181 Ca 0.20 -0.13 0.01 0.00 -2.18 0.00 0.00 60.65 58.54 3g6i h LYS 181 Cb 0.20 0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 30.84 3g6i h LYS 181 CO -0.21 0.67 -0.01 0.87 -1.08 0.00 0.00 179.45 179.69 3g6i h LYS 182 N 0.20 -0.00 -0.39 3.15 1.57 -0.81 -0.49 116.57 119.80 3g6i h LYS 182 Ca 0.01 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.75 3g6i h LYS 182 Cb 0.91 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.20 3g6i h LYS 182 CO 0.07 -0.00 0.05 0.45 -0.57 0.00 0.00 179.45 179.45 3g6i h HIS 183 N -0.00 0.60 -0.21 -1.35 3.86 -1.11 -2.02 115.15 114.92 3g6i h HIS 183 Ca 0.02 -0.05 -0.17 0.00 -1.16 0.00 0.00 60.37 59.01 3g6i h HIS 183 Cb 0.04 -0.18 -0.00 0.00 1.06 0.00 0.00 27.41 28.32 3g6i h HIS 183 CO -0.11 0.56 -0.54 0.00 0.86 0.00 0.00 177.93 178.69 3g6i h ALA 184 N 1.49 0.64 -0.08 2.45 0.00 -1.19 -0.40 119.26 122.18 3g6i h ALA 184 Ca 0.13 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.53 3g6i h ALA 184 Cb 0.29 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 3g6i h ALA 184 CO 0.00 0.69 0.05 0.00 0.00 0.00 0.00 179.25 179.99 3g6i h ALA 185 N 0.90 0.10 -0.65 0.00 0.00 -0.67 -1.99 119.26 116.95 3g6i h ALA 185 Ca 0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 3g6i h ALA 185 Cb 1.10 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.83 3g6i h ALA 185 CO 0.11 -0.41 0.39 0.74 0.00 0.00 0.00 179.25 180.08 3g6i h PHE 186 N 0.10 0.85 -0.94 0.00 0.04 -1.31 -2.55 116.94 113.13 3g6i h PHE 186 Ca 0.03 0.00 0.11 0.00 2.80 0.00 0.00 57.97 60.92 3g6i h PHE 186 Cb -0.01 -0.28 -0.07 0.00 2.20 0.00 0.00 35.95 37.79 3g6i h PHE 186 CO -0.08 0.57 0.60 0.78 -0.60 0.00 0.00 178.31 179.58 3g6i h GLY 187 N 0.93 1.42 0.93 -1.45 0.00 -0.47 0.16 103.07 104.58 3g6i h GLY 187 Ca 0.24 -0.38 -0.01 0.00 0.00 0.00 0.00 47.33 47.17 3g6i h GLY 187 CO -0.04 0.18 0.14 1.70 0.00 0.00 0.00 176.54 178.51 3g6i h LYS 188 N 0.91 0.46 -0.01 4.80 3.64 -0.94 -1.30 116.57 124.12 3g6i h LYS 188 Ca 0.45 -0.07 -0.15 0.00 -1.27 0.00 0.00 60.65 59.60 3g6i h LYS 188 Cb 0.48 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.20 3g6i h LYS 188 CO -0.21 0.44 -0.70 1.88 -2.27 0.00 0.00 179.45 178.59 3g6i h TYR 189 N 0.36 0.11 -0.14 1.91 -1.99 -1.31 -1.88 116.97 114.03 3g6i h TYR 189 Ca 0.11 -0.05 -0.09 0.00 2.00 0.00 0.00 58.73 60.70 3g6i h TYR 189 Cb 0.15 -0.02 -0.01 0.00 2.00 0.00 0.00 36.73 38.85 3g6i h TYR 189 CO -0.01 0.76 -0.30 0.87 -0.00 0.00 0.00 178.16 179.47 3g6i h LYS 190 N 0.05 0.28 -0.61 4.88 1.57 -0.78 0.11 116.57 122.06 3g6i h LYS 190 Ca -0.01 -0.10 -0.03 0.00 -1.87 0.00 0.00 60.65 58.63 3g6i h LYS 190 Cb 1.25 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 33.51 3g6i h LYS 190 CO 0.10 0.56 0.26 0.78 -0.57 0.00 0.00 179.45 180.58 3g6i h GLY 191 N 1.05 0.97 1.06 3.86 0.00 -0.95 -1.33 103.07 107.72 3g6i h GLY 191 Ca 0.03 -0.51 -0.06 0.00 0.00 0.00 0.00 47.33 46.80 3g6i h GLY 191 CO 0.05 0.48 0.25 -0.09 0.00 0.00 0.00 176.54 177.23 3g6i h ARG 192 N 0.85 1.18 -0.14 4.80 2.43 -0.81 -1.46 114.38 121.22 3g6i h ARG 192 Ca 0.21 -0.25 0.02 0.00 -0.81 0.00 0.00 59.98 59.14 3g6i h ARG 192 Cb 0.17 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 29.53 3g6i h ARG 192 CO -0.02 0.99 0.03 0.82 -1.51 0.00 0.00 179.97 180.28 3g6i h ILE 193 N 1.13 0.94 -0.78 1.20 2.04 -0.74 -2.03 117.51 119.28 3g6i h ILE 193 Ca 0.25 -0.03 0.04 0.00 1.00 0.00 0.00 64.86 66.12 3g6i h ILE 193 Cb 0.30 0.85 -0.05 0.00 -0.74 0.00 0.00 36.82 37.17 3g6i h ILE 193 CO -0.01 0.02 0.49 0.78 0.00 0.00 0.00 178.15 179.42 3g6i h ASN 194 N 0.09 0.79 -0.63 1.72 2.35 -0.96 -0.69 115.58 118.26 3g6i h ASN 194 Ca 0.06 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.75 3g6i h ASN 194 Cb 0.05 -0.17 -0.03 0.00 0.05 0.00 0.00 38.32 38.23 3g6i h ASN 194 CO -0.08 0.53 0.15 0.78 -1.65 0.00 0.00 177.43 177.17 3g6i h ASN 195 N 0.93 0.95 -0.12 5.81 2.35 -1.17 -1.22 115.58 123.12 3g6i h ASN 195 Ca 0.32 -0.23 0.01 0.00 -0.55 0.00 0.00 56.30 55.85 3g6i h ASN 195 Cb 0.06 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.17 3g6i h ASN 195 CO -0.13 0.94 0.05 0.22 -1.65 0.00 0.00 177.43 176.86 3g6i h TYR 196 N 0.92 0.10 -0.49 1.19 3.20 -1.05 -0.53 116.97 120.31 3g6i h TYR 196 Ca 0.20 0.01 -0.06 0.00 3.14 0.00 0.00 58.73 62.01 3g6i h TYR 196 Cb 0.36 -0.03 -0.02 0.00 1.54 0.00 0.00 36.73 38.58 3g6i h TYR 196 CO 0.03 0.06 0.06 -0.07 -1.64 0.00 0.00 178.16 176.59 3g6i h LEU 197 N 0.12 0.79 -0.43 2.82 3.38 -0.99 -1.55 115.31 119.45 3g6i h LEU 197 Ca 0.05 -0.27 -0.02 0.00 0.09 0.00 0.00 57.88 57.73 3g6i h LEU 197 Cb 0.02 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 3g6i h LEU 197 CO -0.04 0.87 0.19 0.00 0.09 0.00 0.00 178.44 179.55 3g6i h ALA 198 N 0.95 0.56 -0.09 1.53 0.00 -1.14 -1.40 119.26 119.66 3g6i h ALA 198 Ca 0.15 -0.13 0.03 0.00 0.00 0.00 0.00 54.91 54.96 3g6i h ALA 198 Cb 0.43 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 3g6i h ALA 198 CO 0.01 0.14 0.07 0.87 0.00 0.00 0.00 179.25 180.35 3g6i h LYS 199 N 0.55 0.00 -0.71 0.00 6.56 -0.88 0.22 116.57 122.32 3g6i h LYS 199 Ca 0.15 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.74 3g6i h LYS 199 Cb 0.15 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.81 3g6i h LYS 199 CO -0.02 0.00 0.00 0.54 -2.06 0.00 0.00 179.45 177.91 3g6i n ARG 200 N -4.34 2.66 -0.42 3.15 1.74 -0.59 -4.90 116.66 113.96 3g6i n ARG 200 Ca -0.01 -1.46 0.00 0.00 -0.77 0.00 0.00 57.85 55.61 3g6i n ARG 200 Cb 0.18 -1.75 0.00 0.00 -1.02 0.00 0.00 32.46 29.88 3g6i n ARG 200 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3g6i n GLY 201 N 0.46 0.77 3.76 -0.13 0.00 0.07 -5.04 105.19 105.07 3g6i n GLY 201 Ca 0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.75 3g6i n GLY 201 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3g6i s TYR 202 N -2.87 3.59 -0.61 1.61 2.02 -0.83 -5.00 117.35 115.27 3g6i s TYR 202 Ca 0.00 1.70 -0.15 0.00 -0.37 0.00 0.00 57.07 58.25 3g6i s TYR 202 Cb 0.00 -3.28 0.15 0.00 -0.40 0.00 0.00 41.96 38.43 3g6i s TYR 202 CO 0.00 -0.53 0.56 1.21 -1.57 0.00 0.00 175.55 175.22 3g6i s ASN 203 N -0.85 6.31 0.31 2.29 3.84 -1.26 -4.23 114.94 121.36 3g6i s ASN 203 Ca 0.45 -2.03 0.04 0.00 0.21 0.00 0.00 52.86 51.53 3g6i s ASN 203 Cb -0.32 -2.20 0.52 0.00 -0.55 0.00 0.00 41.25 38.71 3g6i s ASN 203 CO 0.41 -0.78 1.80 -0.07 -2.79 0.00 0.00 177.10 175.66 3g6i h LEU 204 N 8.59 0.43 -0.21 3.21 3.38 -1.96 -0.72 115.31 128.04 3g6i h LEU 204 Ca -0.19 -0.12 0.03 0.00 0.09 0.00 0.00 57.88 57.68 3g6i h LEU 204 Cb 1.08 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.69 3g6i h LEU 204 CO 0.96 0.62 0.04 0.74 0.09 0.00 0.00 178.44 180.90 3g6i h THR 205 N 0.41 0.91 -0.63 0.22 2.02 -2.00 -0.84 112.91 113.00 3g6i h THR 205 Ca 0.07 -0.04 -0.05 0.00 0.77 0.00 0.00 66.41 67.16 3g6i h THR 205 Cb 0.53 0.77 -0.03 0.00 -1.74 0.00 0.00 68.15 67.68 3g6i h THR 205 CO 0.03 0.02 0.19 0.11 0.37 0.00 0.00 175.52 176.24 3g6i h LYS 206 N 0.13 0.98 -0.79 6.66 1.57 -1.87 -2.01 116.57 121.24 3g6i h LYS 206 Ca 0.10 -0.22 0.02 0.00 -1.87 0.00 0.00 60.65 58.68 3g6i h LYS 206 Cb 0.09 -0.14 -0.04 0.00 0.08 0.00 0.00 32.23 32.22 3g6i h LYS 206 CO -0.12 0.87 0.51 0.93 -0.57 0.00 0.00 179.45 181.07 3g6i h GLU 207 N 0.90 0.99 -0.65 3.15 4.39 -0.79 -1.54 114.58 121.03 3g6i h GLU 207 Ca 0.20 -0.06 -0.06 0.00 0.34 0.00 0.00 59.36 59.78 3g6i h GLU 207 Cb 0.31 -0.22 -0.03 0.00 -0.10 0.00 0.00 28.75 28.70 3g6i h GLU 207 CO -0.00 0.65 0.16 0.00 -1.16 0.00 0.00 179.01 178.67 3g6i h ARG 208 N 1.02 1.02 -0.20 2.33 3.08 -0.97 -1.64 114.38 119.02 3g6i h ARG 208 Ca 0.30 -0.23 -0.00 0.00 0.07 0.00 0.00 59.98 60.12 3g6i h ARG 208 Cb -0.05 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 29.84 3g6i h ARG 208 CO -0.09 0.90 0.12 0.93 -1.07 0.00 0.00 179.97 180.77 3g6i h GLU 209 N 0.98 0.27 -0.09 0.04 5.08 -0.78 -1.62 114.58 118.46 3g6i h GLU 209 Ca 0.21 -0.02 -0.08 0.00 -1.00 0.00 0.00 59.36 58.47 3g6i h GLU 209 Cb 0.34 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 3g6i h GLU 209 CO -0.00 0.22 -0.30 0.93 -1.00 0.00 0.00 179.01 178.85 3g6i h GLU 210 N 0.24 0.16 -0.34 2.33 4.39 -1.21 -2.20 114.58 117.95 3g6i h GLU 210 Ca 0.07 -0.06 -0.10 0.00 0.34 0.00 0.00 59.36 59.61 3g6i h GLU 210 Cb 0.01 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 3g6i h GLU 210 CO -0.01 0.46 -0.18 2.35 -1.16 0.00 0.00 179.01 180.46 3g6i h TRP 211 N 0.15 0.84 -0.68 4.33 7.01 -1.15 0.02 115.95 126.47 3g6i h TRP 211 Ca 0.02 -0.21 0.12 0.00 2.11 0.00 0.00 58.89 60.93 3g6i h TRP 211 Cb 0.61 -0.19 -0.09 0.00 -2.10 0.00 0.00 29.16 27.39 3g6i h TRP 211 CO 0.01 0.94 0.22 0.00 -2.79 0.00 0.00 178.44 176.81 3g6i h ALA 212 N 0.78 0.89 -0.44 2.65 0.00 -0.87 0.16 119.26 122.42 3g6i h ALA 212 Ca 0.08 0.12 -0.08 0.00 0.00 0.00 0.00 54.91 55.03 3g6i h ALA 212 Cb 0.72 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 3g6i h ALA 212 CO 0.05 -0.25 -0.02 0.87 0.00 0.00 0.00 179.25 179.91 3g6i h LYS 213 N 0.36 0.80 -0.96 0.00 1.57 -1.21 -2.23 116.57 114.90 3g6i h LYS 213 Ca 0.36 -0.26 -0.00 0.00 -1.87 0.00 0.00 60.65 58.88 3g6i h LYS 213 Cb 0.54 -0.07 -0.05 0.00 0.08 0.00 0.00 32.23 32.73 3g6i h LYS 213 CO -0.40 0.87 0.59 0.00 -0.57 0.00 0.00 179.45 179.94 3g6i h ARG 214 N 0.64 1.30 -0.23 3.15 3.08 -0.32 -1.56 114.38 120.44 3g6i h ARG 214 Ca 0.12 -0.11 0.00 0.00 0.07 0.00 0.00 59.98 60.06 3g6i h ARG 214 Cb 0.52 -0.27 -0.01 0.00 0.08 0.00 0.00 29.97 30.29 3g6i h ARG 214 CO 0.03 0.90 0.15 0.28 -1.07 0.00 0.00 179.97 180.26 3g6i h VAL 215 N 1.32 1.06 0.97 2.04 2.07 -0.38 0.16 116.25 123.49 3g6i h VAL 215 Ca 0.35 -0.11 -0.05 0.00 0.82 0.00 0.00 66.70 67.71 3g6i h VAL 215 Cb -0.07 0.72 0.01 0.00 -1.52 0.00 0.00 31.29 30.43 3g6i h VAL 215 CO -0.07 0.06 -0.47 0.11 0.02 0.00 0.00 177.57 177.22 3g6i h LYS 216 N 0.31 -1.26 -0.91 1.57 1.57 -1.18 -1.92 116.57 114.76 3g6i h LYS 216 Ca 0.08 0.09 0.22 0.00 -1.87 0.00 0.00 60.65 59.17 3g6i h LYS 216 Cb -0.04 0.29 -0.06 0.00 0.08 0.00 0.00 32.23 32.50 3g6i h LYS 216 CO -0.02 -0.84 0.61 0.00 -0.57 0.00 0.00 179.45 178.63 3g6i h ALA 217 N -1.33 2.39 0.00 3.86 0.00 -1.28 0.79 119.26 123.69 3g6i h ALA 217 Ca -0.13 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.72 3g6i h ALA 217 Cb 1.00 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 3g6i h ALA 217 CO 0.22 -0.68 -0.29 -0.09 0.00 0.00 0.00 179.25 178.41 3g6i h ARG 218 N 0.28 0.00 0.00 0.00 2.43 -0.84 -3.51 114.38 112.75 3g6i h ARG 218 Ca 0.46 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.63 3g6i h ARG 218 Cb 1.35 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.90 3g6i h ARG 218 CO -0.14 0.29 0.00 0.41 -1.51 0.00 0.00 179.97 179.03