#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cny h SER 3 N 0.00 0.00 -0.13 4.04 4.64 -1.99 -2.60 113.55 117.51 3cny h SER 3 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 3cny h SER 3 Cb 0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 3cny h SER 3 CO 0.00 0.20 0.06 0.50 -0.87 0.00 0.00 176.83 176.72 3cny h LYS 4 N 0.00 0.19 -0.51 4.77 3.11 -2.04 0.25 116.57 122.34 3cny h LYS 4 Ca -0.00 -0.03 0.09 0.00 -2.81 0.00 0.00 60.65 57.90 3cny h LYS 4 Cb 0.37 -0.03 -0.08 0.00 -1.00 0.00 0.00 32.23 31.49 3cny h LYS 4 CO 0.03 0.26 0.06 0.00 -2.81 0.00 0.00 179.45 176.99 3cny h ALA 5 N 0.92 0.54 -0.70 5.00 0.00 -1.90 -0.35 119.26 122.77 3cny h ALA 5 Ca 0.05 0.13 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 3cny h ALA 5 Cb 0.13 0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 3cny h ALA 5 CO -0.01 -0.34 0.26 0.93 0.00 0.00 0.00 179.25 180.09 3cny h GLU 6 N 0.18 1.05 0.00 0.00 5.08 -1.33 -2.44 114.58 117.13 3cny h GLU 6 Ca 0.26 -0.19 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 3cny h GLU 6 Cb 0.38 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.46 3cny h GLU 6 CO -0.38 0.87 0.00 0.87 -1.00 0.00 0.00 179.01 179.37 3cny h LYS 7 N 1.02 0.00 0.00 2.33 1.79 0.59 -1.84 116.57 120.47 3cny h LYS 7 Ca 0.23 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.70 3cny h LYS 7 Cb 0.22 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.87 3cny h LYS 7 CO -0.02 0.00 0.00 -0.25 -1.08 0.00 0.00 179.45 178.10 3cny n ASP 8 N -2.44 0.00 -4.64 0.86 8.00 -0.25 -4.71 116.55 113.36 3cny n ASP 8 Ca 0.02 0.13 -0.37 0.00 0.71 0.00 0.00 54.79 55.28 3cny n ASP 8 Cb 0.25 -0.37 -0.10 0.00 -0.02 0.00 0.00 41.12 40.88 3cny n ASP 8 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3cny s ILE 9 N -2.75 5.33 -0.17 0.53 1.01 -0.69 -2.23 121.20 122.24 3cny s ILE 9 Ca 0.21 0.23 -0.10 0.00 0.00 0.00 0.00 60.65 60.99 3cny s ILE 9 Cb 0.18 -3.53 -0.05 0.00 0.01 0.00 0.00 42.46 39.08 3cny s ILE 9 CO 0.46 0.31 0.18 -0.54 0.00 0.00 0.00 174.94 175.35 3cny s LYS 10 N 1.28 4.04 -0.23 2.79 1.02 0.16 -4.97 119.74 123.83 3cny s LYS 10 Ca 0.08 -0.10 -0.08 0.00 0.02 0.00 0.00 55.97 55.90 3cny s LYS 10 Cb -0.14 -3.37 -0.04 0.00 -0.52 0.00 0.00 37.83 33.77 3cny s LYS 10 CO 0.06 0.40 0.08 -1.58 -0.92 0.00 0.00 175.35 173.39 3cny s TRP 11 N 0.04 3.16 0.39 3.18 0.52 -1.26 -0.51 118.94 124.46 3cny s TRP 11 Ca 0.12 -0.16 0.03 0.00 0.02 0.00 0.00 56.10 56.11 3cny s TRP 11 Cb -0.12 -2.19 -0.04 0.00 -1.15 0.00 0.00 33.47 29.98 3cny s TRP 11 CO 0.01 -0.13 0.09 0.20 0.02 0.00 0.00 176.95 177.14 3cny s GLY 12 N 1.13 2.47 -0.07 0.98 0.00 -0.27 -1.12 107.32 110.45 3cny s GLY 12 Ca 0.05 -1.42 -0.04 0.00 0.00 0.00 0.00 44.72 43.30 3cny s GLY 12 CO 0.04 -1.86 0.17 -1.50 0.00 0.00 0.00 173.10 169.94 3cny s ILE 13 N -3.21 -0.02 0.35 0.90 2.07 -0.73 -1.06 121.20 119.50 3cny s ILE 13 Ca 0.26 0.09 -0.17 0.00 -1.41 0.00 0.00 60.65 59.43 3cny s ILE 13 Cb 0.04 -0.26 -0.10 0.00 0.13 0.00 0.00 42.46 42.28 3cny s ILE 13 CO 0.14 0.04 0.79 0.00 -1.91 0.00 0.00 174.94 174.00 3cny s ALA 14 N 0.68 3.25 -0.41 1.50 0.00 0.77 -4.15 121.76 123.40 3cny s ALA 14 Ca -0.05 0.14 0.24 0.00 0.00 0.00 0.00 51.96 52.29 3cny s ALA 14 Cb -0.07 -2.87 1.03 0.00 0.00 0.00 0.00 23.12 21.22 3cny s ALA 14 CO -0.03 0.28 1.74 -1.00 0.00 0.00 0.00 175.76 176.74 3cny h PRO 15 N 2.17 0.00 0.00 0.00 0.13 -1.91 -3.26 132.00 129.13 3cny h PRO 15 Ca -0.48 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.64 3cny h PRO 15 Cb 1.18 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.31 3cny h PRO 15 CO 0.64 0.00 -0.02 0.97 -0.23 0.00 0.00 178.00 179.36 3cny h ILE 16 N 0.00 0.23 0.00 -3.56 2.10 -1.90 0.62 117.51 115.00 3cny h ILE 16 Ca 0.00 -0.17 0.00 0.00 1.08 0.00 0.00 64.86 65.77 3cny h ILE 16 Cb 0.36 1.13 0.00 0.00 -1.09 0.00 0.00 36.82 37.23 3cny h ILE 16 CO 0.00 0.02 0.00 1.23 -1.08 0.00 0.00 178.15 178.32 3cny h GLY 17 N 0.43 0.00 0.61 8.18 0.00 -1.60 -3.22 103.07 107.47 3cny h GLY 17 Ca -0.00 0.00 -0.36 0.00 0.00 0.00 0.00 47.33 46.97 3cny h GLY 17 CO 0.00 0.00 -2.00 0.79 0.00 0.00 0.00 176.54 175.33 3cny n TRP 18 N -3.03 1.19 -3.63 5.60 8.01 0.13 -4.37 117.44 121.34 3cny n TRP 18 Ca 0.02 0.26 -0.11 0.00 -1.31 0.00 0.00 57.50 56.36 3cny n TRP 18 Cb 0.38 -1.16 -0.07 0.00 -2.01 0.00 0.00 31.31 28.45 3cny n TRP 18 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.69 177.18 3cny s ARG 19 N -2.56 0.74 -0.11 -0.99 3.52 -0.74 -4.38 118.95 114.44 3cny s ARG 19 Ca -0.22 0.99 -0.04 0.00 -0.13 0.00 0.00 55.73 56.34 3cny s ARG 19 Cb 0.07 0.31 -0.03 0.00 -1.56 0.00 0.00 34.95 33.73 3cny s ARG 19 CO 0.77 -0.11 0.03 1.21 -0.81 0.00 0.00 175.30 176.39 3cny s ASN 20 N 0.71 5.46 -0.08 -2.12 3.84 -0.20 -4.04 114.94 118.52 3cny s ASN 20 Ca -0.02 0.17 0.04 0.00 0.21 0.00 0.00 52.86 53.26 3cny s ASN 20 Cb -0.05 -1.67 -0.24 0.00 -0.55 0.00 0.00 41.25 38.74 3cny s ASN 20 CO -0.06 0.34 0.53 0.47 -2.79 0.00 0.00 177.10 175.59 3cny n ASP 21 N 2.41 1.41 0.11 -4.21 8.00 -1.26 -3.94 116.55 119.06 3cny n ASP 21 Ca -0.18 0.32 -0.03 0.00 0.71 0.00 0.00 54.79 55.60 3cny n ASP 21 Cb 0.54 -0.40 0.13 0.00 -0.02 0.00 0.00 41.12 41.37 3cny n ASP 21 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 3cny h ASP 22 N 0.03 0.12 -3.39 -2.24 3.32 -1.98 -3.34 116.42 108.95 3cny h ASP 22 Ca -0.35 -0.07 -0.62 0.00 0.02 0.00 0.00 57.03 56.01 3cny h ASP 22 Cb 2.03 -0.04 -0.41 0.00 0.22 0.00 0.00 39.33 41.13 3cny h ASP 22 CO 0.08 0.73 -0.66 -0.63 -1.72 0.00 0.00 179.24 177.04 3cny s ILE 23 N -3.63 2.25 0.61 0.35 1.01 -1.26 -5.00 121.20 115.54 3cny s ILE 23 Ca -0.02 -3.55 0.32 0.00 0.00 0.00 0.00 60.65 57.39 3cny s ILE 23 Cb 0.12 -2.52 0.37 0.00 0.01 0.00 0.00 42.46 40.44 3cny s ILE 23 CO 0.78 -0.96 2.12 -0.65 0.00 0.00 0.00 174.94 176.22 3cny h PRO 24 N 5.92 0.00 0.00 2.79 0.11 -1.69 -0.01 132.00 139.13 3cny h PRO 24 Ca 0.08 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.14 3cny h PRO 24 Cb 0.84 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.94 3cny h PRO 24 CO 0.63 0.00 -0.25 0.66 -0.21 0.00 0.00 178.00 178.83 3cny h SER 25 N 0.00 0.00 -3.23 -2.05 4.64 -1.95 -3.31 113.55 107.66 3cny h SER 25 Ca 0.06 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.81 3cny h SER 25 Cb 0.44 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.48 3cny h SER 25 CO -0.00 0.25 1.04 -0.63 -0.87 0.00 0.00 176.83 176.62 3cny s ILE 26 N -3.87 3.97 -1.12 0.95 -1.09 -0.02 -2.59 121.20 117.42 3cny s ILE 26 Ca -0.01 1.03 0.00 0.00 -2.23 0.00 0.00 60.65 59.44 3cny s ILE 26 Cb 0.12 -4.18 0.00 0.00 -1.58 0.00 0.00 42.46 36.82 3cny s ILE 26 CO 0.64 -0.66 0.00 0.61 -1.23 0.00 0.00 174.94 174.30 3cny n GLY 27 N 4.83 0.83 0.37 6.18 0.00 -1.26 -1.03 105.19 115.12 3cny n GLY 27 Ca 0.16 -0.48 0.14 0.00 0.00 0.00 0.00 46.02 45.83 3cny n GLY 27 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3cny h LYS 28 N 0.00 0.66 -0.21 1.61 1.63 -1.59 -0.84 116.57 117.84 3cny h LYS 28 Ca -0.24 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.52 3cny h LYS 28 Cb 0.88 -0.15 0.00 0.00 -0.60 0.00 0.00 32.23 32.36 3cny h LYS 28 CO 0.33 0.44 0.00 -0.25 -3.45 0.00 0.00 179.45 176.52 3cny n ASP 29 N -4.62 1.69 -4.88 4.20 8.00 -1.26 -4.83 116.55 114.85 3cny n ASP 29 Ca 0.20 -1.78 -0.30 0.00 0.71 0.00 0.00 54.79 53.63 3cny n ASP 29 Cb 0.55 -0.14 -0.03 0.00 -0.02 0.00 0.00 41.12 41.49 3cny n ASP 29 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 3cny s ASN 30 N -1.43 6.48 0.27 -2.24 0.01 -0.32 -5.09 114.94 112.62 3cny s ASN 30 Ca 0.30 1.09 0.03 0.00 -0.71 0.00 0.00 52.86 53.56 3cny s ASN 30 Cb 0.16 -2.31 -0.04 0.00 0.41 0.00 0.00 41.25 39.48 3cny s ASN 30 CO 0.24 -0.42 0.17 0.54 -1.51 0.00 0.00 177.10 176.11 3cny s ASN 31 N -3.31 1.13 0.17 -1.22 2.20 -1.26 -5.00 114.94 107.64 3cny s ASN 31 Ca 0.50 -1.53 -0.15 0.00 -0.94 0.00 0.00 52.86 50.74 3cny s ASN 31 Cb -0.10 0.40 0.07 0.00 -2.00 0.00 0.00 41.25 39.61 3cny s ASN 31 CO 0.34 -0.89 1.81 0.25 -2.94 0.00 0.00 177.10 175.66 3cny h LEU 32 N 2.33 0.44 -0.57 3.54 5.85 -1.98 -2.35 115.31 122.57 3cny h LEU 32 Ca -0.33 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.37 3cny h LEU 32 Cb 1.25 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 42.16 3cny h LEU 32 CO 0.50 0.32 0.26 1.56 -0.34 0.00 0.00 178.44 180.73 3cny h GLN 33 N 0.55 0.83 0.20 1.25 7.50 -1.99 -0.93 115.11 122.51 3cny h GLN 33 Ca 0.18 -0.13 0.01 0.00 0.50 0.00 0.00 58.65 59.21 3cny h GLN 33 Cb 0.01 -0.14 -0.02 0.00 0.05 0.00 0.00 27.48 27.37 3cny h GLN 33 CO -0.08 0.69 -0.22 0.37 -1.50 0.00 0.00 178.83 178.08 3cny h GLN 34 N 0.77 -0.45 -0.81 1.46 4.15 -1.96 -1.39 115.11 116.88 3cny h GLN 34 Ca 0.19 0.03 -0.03 0.00 0.77 0.00 0.00 58.65 59.61 3cny h GLN 34 Cb 0.15 0.10 -0.04 0.00 0.21 0.00 0.00 27.48 27.90 3cny h GLN 34 CO -0.02 -0.30 0.38 1.37 -1.93 0.00 0.00 178.83 178.32 3cny h LEU 35 N -0.47 1.06 -0.27 -2.39 8.10 -1.22 0.22 115.31 120.34 3cny h LEU 35 Ca 0.00 -0.13 -0.06 0.00 0.11 0.00 0.00 57.88 57.80 3cny h LEU 35 Cb 0.45 -0.27 -0.01 0.00 -0.44 0.00 0.00 40.66 40.39 3cny h LEU 35 CO -0.07 0.90 -0.06 -0.07 -4.11 0.00 0.00 178.44 175.03 3cny h LEU 36 N 1.15 0.52 -0.56 0.17 3.38 -1.07 -0.55 115.31 118.35 3cny h LEU 36 Ca 0.28 -0.36 -0.15 0.00 0.09 0.00 0.00 57.88 57.73 3cny h LEU 36 Cb 0.13 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 3cny h LEU 36 CO -0.03 0.76 -0.50 0.28 0.09 0.00 0.00 178.44 179.04 3cny h SER 37 N 0.27 0.62 -0.71 -0.43 0.02 -1.03 -2.28 113.55 110.01 3cny h SER 37 Ca 0.07 -0.31 0.09 0.00 -0.84 0.00 0.00 61.79 60.79 3cny h SER 37 Cb 0.53 -0.18 -0.07 0.00 0.14 0.00 0.00 62.40 62.83 3cny h SER 37 CO 0.03 1.01 0.37 0.44 -1.14 0.00 0.00 176.83 177.53 3cny h ASP 38 N 0.44 0.49 -0.81 3.07 3.32 -0.46 -0.56 116.42 121.92 3cny h ASP 38 Ca 0.02 0.05 0.02 0.00 0.02 0.00 0.00 57.03 57.15 3cny h ASP 38 Cb 1.03 -0.03 -0.05 0.00 0.22 0.00 0.00 39.33 40.50 3cny h ASP 38 CO 0.10 0.29 0.52 0.40 -1.72 0.00 0.00 179.24 178.83 3cny h ILE 39 N 0.63 1.15 -0.35 0.35 2.04 -0.73 0.70 117.51 121.31 3cny h ILE 39 Ca 0.34 -0.36 -0.03 0.00 1.00 0.00 0.00 64.86 65.82 3cny h ILE 39 Cb 0.33 0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 36.42 3cny h ILE 39 CO -0.25 0.19 0.12 0.58 0.00 0.00 0.00 178.15 178.79 3cny h VAL 40 N 1.04 1.20 -0.87 1.67 2.07 -0.96 -0.96 116.25 119.44 3cny h VAL 40 Ca 0.31 -0.65 0.01 0.00 0.82 0.00 0.00 66.70 67.19 3cny h VAL 40 Cb -0.04 0.97 -0.04 0.00 -1.52 0.00 0.00 31.29 30.66 3cny h VAL 40 CO -0.10 0.23 0.57 0.58 0.02 0.00 0.00 177.57 178.87 3cny h VAL 41 N 0.41 1.22 0.00 2.57 2.07 -0.52 -2.58 116.25 119.42 3cny h VAL 41 Ca 0.11 -0.41 -0.06 0.00 0.82 0.00 0.00 66.70 67.16 3cny h VAL 41 Cb 0.23 -0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 29.94 3cny h VAL 41 CO -0.01 0.22 -0.30 0.00 0.02 0.00 0.00 177.57 177.50 3cny h ALA 42 N 1.32 0.88 0.00 1.67 0.00 -0.70 -3.48 119.26 118.95 3cny h ALA 42 Ca 0.32 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3cny h ALA 42 Cb -0.13 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.61 3cny h ALA 42 CO -0.07 0.38 0.00 0.41 0.00 0.00 0.00 179.25 179.97 3cny n GLY 43 N 0.69 1.17 3.94 0.00 0.00 -0.45 -4.78 105.19 105.76 3cny n GLY 43 Ca 0.01 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.79 3cny n GLY 43 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3cny s PHE 44 N -2.00 3.26 -1.80 1.61 0.08 -0.69 -5.02 117.98 113.42 3cny s PHE 44 Ca 0.00 0.41 0.15 0.00 0.12 0.00 0.00 56.93 57.61 3cny s PHE 44 Cb 0.00 -2.46 0.10 0.00 -0.57 0.00 0.00 43.02 40.09 3cny s PHE 44 CO 0.00 -0.51 0.95 1.04 -0.10 0.00 0.00 175.22 176.59 3cny n GLN 45 N -2.27 1.22 -3.08 0.44 3.00 -0.27 -4.44 117.38 111.99 3cny n GLN 45 Ca 0.02 -1.29 0.00 0.00 -0.01 0.00 0.00 57.00 55.72 3cny n GLN 45 Cb 0.57 -1.28 0.00 0.00 0.00 0.00 0.00 30.24 29.54 3cny n GLN 45 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3cny n GLY 46 N 0.89 -1.24 3.36 1.08 0.00 -1.23 -2.10 105.19 105.94 3cny n GLY 46 Ca 0.08 -0.91 -0.11 0.00 0.00 0.00 0.00 46.02 45.09 3cny n GLY 46 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 3cny n THR 47 N 0.41 0.00 -3.95 2.61 5.66 -0.89 -1.77 114.28 116.34 3cny n THR 47 Ca 0.00 -1.23 -0.24 0.00 -3.05 0.00 0.00 64.05 59.53 3cny n THR 47 Cb 0.00 0.96 -0.05 0.00 -1.55 0.00 0.00 70.33 69.70 3cny n THR 47 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 175.07 170.41 3cny s GLU 48 N -2.35 2.31 -0.28 1.09 2.02 -1.26 -1.03 118.70 119.20 3cny s GLU 48 Ca 0.20 -1.82 -0.27 0.00 0.02 0.00 0.00 54.97 53.10 3cny s GLU 48 Cb -0.03 -2.09 0.01 0.00 0.10 0.00 0.00 34.13 32.11 3cny s GLU 48 CO 0.15 -0.25 0.97 0.08 0.02 0.00 0.00 175.26 176.22 3cny s VAL 49 N -2.61 4.67 0.53 2.63 1.01 -0.67 -4.42 120.40 121.54 3cny s VAL 49 Ca 0.40 1.68 -0.14 0.00 0.00 0.00 0.00 61.98 63.93 3cny s VAL 49 Cb 0.01 -4.28 -0.06 0.00 0.00 0.00 0.00 36.38 32.04 3cny s VAL 49 CO 0.23 -0.28 0.96 -0.83 0.00 0.00 0.00 175.10 175.18 3cny s GLY 50 N 1.47 1.91 0.51 4.51 0.00 -1.26 -4.61 107.32 109.84 3cny s GLY 50 Ca 0.41 0.02 0.27 0.00 0.00 0.00 0.00 44.72 45.42 3cny s GLY 50 CO 0.11 0.28 2.04 -1.33 0.00 0.00 0.00 173.10 174.20 3cny h GLY 51 N 0.56 0.00 0.62 0.20 0.00 -1.96 -2.30 103.07 100.19 3cny h GLY 51 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.87 3cny h GLY 51 CO 0.62 0.00 -0.15 1.97 0.00 0.00 0.00 176.54 178.98 3cny n PHE 52 N -3.60 0.00 -1.50 5.60 -1.74 -1.26 -4.93 117.46 110.02 3cny n PHE 52 Ca -0.02 0.00 -0.35 0.00 -0.56 0.00 0.00 57.45 56.52 3cny n PHE 52 Cb 0.26 -0.15 0.09 0.00 1.52 0.00 0.00 39.48 41.20 3cny n PHE 52 CO 0.00 0.00 0.00 -0.06 -0.56 0.00 0.00 176.76 176.14 3cny s PHE 53 N -2.45 1.99 0.23 2.97 0.40 -0.87 -4.99 117.98 115.27 3cny s PHE 53 Ca 0.28 1.56 -0.04 0.00 -0.60 0.00 0.00 56.93 58.14 3cny s PHE 53 Cb 0.20 -3.58 0.05 0.00 0.51 0.00 0.00 43.02 40.20 3cny s PHE 53 CO 0.48 -2.83 0.32 -0.35 0.70 0.00 0.00 175.22 173.54 3cny n PRO 54 N -2.48 -0.26 -1.18 0.24 -0.04 -1.26 -5.03 135.00 124.98 3cny n PRO 54 Ca 0.15 -0.51 -0.29 0.00 -0.04 0.00 0.00 63.50 62.81 3cny n PRO 54 Cb 0.49 -0.32 0.19 0.00 -0.04 0.00 0.00 33.50 33.82 3cny n PRO 54 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 3cny s GLY 55 N -3.66 1.57 0.32 0.55 0.00 -1.26 -4.71 107.32 100.13 3cny s GLY 55 Ca 0.18 -0.50 -0.00 0.00 0.00 0.00 0.00 44.72 44.40 3cny s GLY 55 CO 0.13 0.17 1.99 -2.55 0.00 0.00 0.00 173.10 172.83 3cny h PRO 56 N -2.01 0.96 -0.01 2.90 0.11 -1.94 -1.16 132.00 130.85 3cny h PRO 56 Ca -0.53 -0.06 -0.00 0.00 0.11 0.00 0.00 66.00 65.52 3cny h PRO 56 Cb 1.33 -0.21 -0.00 0.00 0.11 0.00 0.00 31.00 32.22 3cny h PRO 56 CO 0.54 0.64 0.00 1.49 -0.21 0.00 0.00 178.00 180.47 3cny h GLU 57 N 0.99 0.01 -0.26 1.05 4.81 -1.93 0.19 114.58 119.44 3cny h GLU 57 Ca 0.27 -0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.46 3cny h GLU 57 Cb -0.10 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.27 3cny h GLU 57 CO -0.06 0.26 0.03 -0.22 -0.73 0.00 0.00 179.01 178.29 3cny h LYS 58 N -0.24 0.44 -0.05 1.92 1.63 -1.91 -1.88 116.57 116.48 3cny h LYS 58 Ca 0.00 -0.12 -0.00 0.00 -0.85 0.00 0.00 60.65 59.68 3cny h LYS 58 Cb 0.25 -0.05 -0.00 0.00 -0.60 0.00 0.00 32.23 31.83 3cny h LYS 58 CO 0.00 0.58 0.03 1.25 -3.45 0.00 0.00 179.45 177.86 3cny h LEU 59 N 0.24 0.06 -0.82 5.20 5.85 -1.17 -0.55 115.31 124.11 3cny h LEU 59 Ca 0.08 -0.04 0.07 0.00 0.84 0.00 0.00 57.88 58.82 3cny h LEU 59 Cb 0.36 -0.02 -0.06 0.00 0.37 0.00 0.00 40.66 41.31 3cny h LEU 59 CO 0.01 0.09 0.49 0.78 -0.34 0.00 0.00 178.44 179.47 3cny h ASN 60 N 0.03 0.75 -0.12 1.25 2.35 -0.60 0.13 115.58 119.38 3cny h ASN 60 Ca 0.02 0.03 0.01 0.00 -0.55 0.00 0.00 56.30 55.80 3cny h ASN 60 Cb 0.04 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.27 3cny h ASN 60 CO -0.00 0.47 0.06 0.22 -1.65 0.00 0.00 177.43 176.52 3cny h TYR 61 N 0.88 0.11 -0.28 1.19 3.20 -0.94 0.95 116.97 122.08 3cny h TYR 61 Ca 0.37 0.00 -0.11 0.00 3.14 0.00 0.00 58.73 62.14 3cny h TYR 61 Cb 0.23 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.45 3cny h TYR 61 CO -0.05 0.06 -0.27 0.93 -1.64 0.00 0.00 178.16 177.20 3cny h GLU 62 N 0.13 0.55 -0.50 1.82 4.39 -0.67 -2.12 114.58 118.18 3cny h GLU 62 Ca 0.05 -0.22 -0.07 0.00 0.34 0.00 0.00 59.36 59.45 3cny h GLU 62 Cb 0.01 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.61 3cny h GLU 62 CO -0.03 0.77 0.02 -0.07 -1.16 0.00 0.00 179.01 178.54 3cny h LEU 63 N 0.48 0.85 -0.84 1.33 3.38 -0.48 -3.16 115.31 116.86 3cny h LEU 63 Ca 0.06 -0.30 -0.09 0.00 0.09 0.00 0.00 57.88 57.65 3cny h LEU 63 Cb 0.72 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.23 3cny h LEU 63 CO 0.06 0.93 -0.12 0.50 0.09 0.00 0.00 178.44 179.90 3cny h LYS 64 N 0.74 0.73 -0.25 1.13 1.63 -0.44 -1.21 116.57 118.89 3cny h LYS 64 Ca 0.14 -0.24 0.07 0.00 -0.85 0.00 0.00 60.65 59.77 3cny h LYS 64 Cb 0.49 -0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 32.05 3cny h LYS 64 CO 0.02 0.83 0.25 -0.07 -3.45 0.00 0.00 179.45 177.03 3cny h LEU 65 N 0.66 0.00 -2.04 5.20 3.38 -1.36 -2.79 115.31 118.36 3cny h LEU 65 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 3cny h LEU 65 Cb 0.59 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.34 3cny h LEU 65 CO 0.04 0.00 0.00 0.54 0.09 0.00 0.00 178.44 179.11 3cny n ARG 66 N -3.90 1.34 -3.80 1.13 1.74 -0.68 -5.01 116.66 107.48 3cny n ARG 66 Ca 0.03 -1.35 -0.25 0.00 -0.77 0.00 0.00 57.85 55.52 3cny n ARG 66 Cb 0.39 -1.15 0.01 0.00 -1.02 0.00 0.00 32.46 30.70 3cny n ARG 66 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 3cny n ASN 67 N 0.27 -1.65 -4.44 0.55 5.15 -0.55 -4.96 115.26 109.64 3cny n ASN 67 Ca 0.06 -0.94 -0.24 0.00 -0.60 0.00 0.00 54.58 52.86 3cny n ASN 67 Cb 0.26 -3.50 -0.10 0.00 -0.53 0.00 0.00 39.78 35.91 3cny n ASN 67 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 3cny s LEU 68 N -6.74 2.55 0.33 1.20 1.43 -0.76 -4.95 118.68 111.74 3cny s LEU 68 Ca 0.10 -0.99 0.08 0.00 -1.03 0.00 0.00 54.13 52.28 3cny s LEU 68 Cb -0.03 -1.04 -0.06 0.00 0.03 0.00 0.00 46.19 45.09 3cny s LEU 68 CO 0.85 0.02 -0.05 -1.61 0.23 0.00 0.00 176.35 175.79 3cny s GLU 69 N -3.36 1.73 -0.20 1.70 2.02 -0.89 -4.61 118.70 115.09 3cny s GLU 69 Ca 0.27 -1.91 -0.06 0.00 0.02 0.00 0.00 54.97 53.29 3cny s GLU 69 Cb -0.05 -1.43 -0.03 0.00 0.10 0.00 0.00 34.13 32.72 3cny s GLU 69 CO 0.13 0.05 0.03 0.42 0.02 0.00 0.00 175.26 175.90 3cny s ILE 70 N -2.82 4.30 0.07 -1.63 -1.09 -1.26 -2.10 121.20 116.66 3cny s ILE 70 Ca 0.32 -0.20 -0.03 0.00 -2.23 0.00 0.00 60.65 58.51 3cny s ILE 70 Cb 0.05 -2.94 -0.28 0.00 -1.58 0.00 0.00 42.46 37.71 3cny s ILE 70 CO 0.15 0.43 1.11 0.00 -1.23 0.00 0.00 174.94 175.40 3cny h ALA 71 N 7.22 0.14 0.00 9.38 0.00 -1.46 -3.38 119.26 131.17 3cny h ALA 71 Ca -0.35 -0.92 0.00 0.00 0.00 0.00 0.00 54.91 53.63 3cny h ALA 71 Cb 1.18 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.00 3cny h ALA 71 CO 0.64 1.02 0.00 0.41 0.00 0.00 0.00 179.25 181.32 3cny n GLY 72 N 1.54 -1.88 3.13 0.00 0.00 -1.26 -3.59 105.19 103.13 3cny n GLY 72 Ca -0.09 -1.14 -0.13 0.00 0.00 0.00 0.00 46.02 44.66 3cny n GLY 72 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3cny s GLN 73 N -1.71 0.29 0.31 1.61 0.74 -1.04 -1.66 119.66 118.19 3cny s GLN 73 Ca 0.00 0.37 -0.30 0.00 0.05 0.00 0.00 55.36 55.49 3cny s GLN 73 Cb 0.00 0.12 -0.11 0.00 1.10 0.00 0.00 33.01 34.11 3cny s GLN 73 CO 0.00 -0.05 1.56 -0.46 -0.55 0.00 0.00 175.29 175.79 3cny s TRP 74 N 0.26 2.74 -0.12 1.67 -0.11 -1.26 -0.93 118.94 121.19 3cny s TRP 74 Ca -0.01 0.89 0.01 0.00 1.22 0.00 0.00 56.10 58.21 3cny s TRP 74 Cb -0.03 -4.04 0.02 0.00 -1.50 0.00 0.00 33.47 27.92 3cny s TRP 74 CO -0.01 -3.39 -0.15 0.12 -4.62 0.00 0.00 176.95 168.91 3cny s PHE 75 N -0.25 2.06 -0.56 5.86 5.36 0.15 -4.87 117.98 125.73 3cny s PHE 75 Ca 0.61 -1.05 -0.27 0.00 -0.96 0.00 0.00 56.93 55.26 3cny s PHE 75 Cb -0.47 -1.50 0.03 0.00 -0.34 0.00 0.00 43.02 40.75 3cny s PHE 75 CO 0.51 -0.55 1.10 -1.12 -1.46 0.00 0.00 175.22 173.70 3cny s SER 76 N 1.18 6.42 0.04 6.13 0.01 -1.26 -2.41 113.70 123.80 3cny s SER 76 Ca -0.02 -0.02 -0.21 0.00 1.31 0.00 0.00 55.95 57.01 3cny s SER 76 Cb -0.14 -2.51 -0.06 0.00 0.21 0.00 0.00 66.02 63.52 3cny s SER 76 CO -0.05 -1.38 0.61 -0.55 0.41 0.00 0.00 173.24 172.28 3cny s SER 77 N 2.88 7.05 -0.35 2.44 0.15 -0.31 -4.90 113.70 120.66 3cny s SER 77 Ca 0.39 1.25 0.14 0.00 0.70 0.00 0.00 55.95 58.43 3cny s SER 77 Cb -0.09 -2.38 0.45 0.00 -1.71 0.00 0.00 66.02 62.29 3cny s SER 77 CO 0.24 0.16 1.01 -1.22 1.20 0.00 0.00 173.24 174.63 3cny n TYR 78 N 2.33 1.82 -0.17 3.44 4.01 -1.26 -0.10 117.16 127.23 3cny n TYR 78 Ca -0.08 -2.83 -0.01 0.00 -0.16 0.00 0.00 57.90 54.82 3cny n TYR 78 Cb 0.51 -0.29 0.08 0.00 -0.31 0.00 0.00 39.34 39.33 3cny n TYR 78 CO 0.00 0.00 0.00 0.82 -0.46 0.00 0.00 176.86 177.22 3cny h ILE 79 N 3.00 0.72 0.00 -0.72 2.04 -1.94 0.56 117.51 121.17 3cny h ILE 79 Ca 0.02 -0.09 -0.00 0.00 1.00 0.00 0.00 64.86 65.79 3cny h ILE 79 Cb 1.12 0.42 0.00 0.00 -0.74 0.00 0.00 36.82 37.62 3cny h ILE 79 CO 0.59 0.05 -0.00 0.40 0.00 0.00 0.00 178.15 179.19 3cny h ILE 80 N 0.27 1.34 -0.23 -0.67 2.04 -1.90 0.89 117.51 119.25 3cny h ILE 80 Ca 0.27 -0.99 -0.04 0.00 1.00 0.00 0.00 64.86 65.10 3cny h ILE 80 Cb 0.36 2.01 -0.01 0.00 -0.74 0.00 0.00 36.82 38.45 3cny h ILE 80 CO -0.33 0.26 -0.01 -0.09 0.00 0.00 0.00 178.15 177.97 3cny h ARG 81 N -0.42 0.41 0.00 2.37 2.43 -1.88 -3.35 114.38 113.94 3cny h ARG 81 Ca -0.00 -0.14 0.00 0.00 -0.81 0.00 0.00 59.98 59.03 3cny h ARG 81 Cb 0.42 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.94 3cny h ARG 81 CO 0.00 0.61 -0.90 -0.25 -1.51 0.00 0.00 179.97 177.92 3cny n ASP 82 N -4.64 0.92 0.00 -3.80 8.00 0.19 -5.10 116.55 112.13 3cny n ASP 82 Ca -0.04 -0.62 0.00 0.00 0.71 0.00 0.00 54.79 54.84 3cny n ASP 82 Cb 0.25 1.16 0.00 0.00 -0.02 0.00 0.00 41.12 42.52 3cny n ASP 82 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3cny n GLY 83 N 1.42 -1.92 0.29 0.44 0.00 0.31 -4.33 105.19 101.40 3cny n GLY 83 Ca 0.01 -1.38 0.08 0.00 0.00 0.00 0.00 46.02 44.73 3cny n GLY 83 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3cny h ILE 84 N 0.00 1.00 0.34 -0.61 6.09 -1.89 -1.67 117.51 120.77 3cny h ILE 84 Ca 0.00 -0.06 -0.02 0.00 -1.37 0.00 0.00 64.86 63.41 3cny h ILE 84 Cb 0.00 0.82 0.00 0.00 0.47 0.00 0.00 36.82 38.11 3cny h ILE 84 CO 0.00 0.03 -0.16 -0.08 -3.07 0.00 0.00 178.15 174.87 3cny h GLU 85 N 0.17 -0.43 -0.47 2.19 4.81 -1.95 0.24 114.58 119.13 3cny h GLU 85 Ca 0.07 0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.30 3cny h GLU 85 Cb 0.09 0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.55 3cny h GLU 85 CO -0.01 -0.18 0.18 -0.22 -0.73 0.00 0.00 179.01 178.05 3cny h LYS 86 N -0.64 0.71 -0.74 1.92 1.63 -1.70 -2.68 116.57 115.08 3cny h LYS 86 Ca -0.05 -0.13 -0.05 0.00 -0.85 0.00 0.00 60.65 59.57 3cny h LYS 86 Cb 0.46 -0.11 -0.03 0.00 -0.60 0.00 0.00 32.23 31.94 3cny h LYS 86 CO 0.08 0.65 0.27 0.00 -3.45 0.00 0.00 179.45 176.99 3cny h ALA 87 N 1.03 1.08 -0.19 5.00 0.00 -1.29 -2.57 119.26 122.31 3cny h ALA 87 Ca 0.16 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 3cny h ALA 87 Cb 0.21 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3cny h ALA 87 CO -0.01 0.64 -0.16 0.77 0.00 0.00 0.00 179.25 180.49 3cny h SER 88 N 1.08 0.31 -0.19 0.00 0.02 -0.82 -0.45 113.55 113.51 3cny h SER 88 Ca 0.24 -0.08 -0.01 0.00 -0.84 0.00 0.00 61.79 61.11 3cny h SER 88 Cb 0.25 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 62.70 3cny h SER 88 CO -0.02 0.49 0.07 -0.08 -1.14 0.00 0.00 176.83 176.16 3cny h GLU 89 N 0.30 0.28 -0.75 3.45 4.81 -1.12 0.25 114.58 121.80 3cny h GLU 89 Ca 0.06 -0.05 0.01 0.00 -0.13 0.00 0.00 59.36 59.25 3cny h GLU 89 Cb 0.46 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.76 3cny h GLU 89 CO 0.03 0.35 0.49 0.00 -0.73 0.00 0.00 179.01 179.15 3cny h ALA 90 N 0.92 0.95 -0.52 2.92 0.00 -1.16 -2.86 119.26 119.51 3cny h ALA 90 Ca 0.06 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 3cny h ALA 90 Cb 0.17 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 3cny h ALA 90 CO -0.01 0.35 -0.01 0.35 0.00 0.00 0.00 179.25 179.94 3cny h PHE 91 N 1.00 1.02 -0.34 0.00 3.57 -0.89 -2.76 116.94 118.55 3cny h PHE 91 Ca 0.28 -0.18 -0.03 0.00 3.53 0.00 0.00 57.97 61.56 3cny h PHE 91 Cb -0.10 -0.26 -0.02 0.00 2.79 0.00 0.00 35.95 38.36 3cny h PHE 91 CO -0.02 0.94 0.07 1.49 -2.23 0.00 0.00 178.31 178.55 3cny h GLU 92 N 0.80 0.49 -0.67 1.11 4.81 -0.81 -0.93 114.58 119.38 3cny h GLU 92 Ca 0.15 -0.08 -0.07 0.00 -0.13 0.00 0.00 59.36 59.23 3cny h GLU 92 Cb 0.54 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.81 3cny h GLU 92 CO 0.03 0.47 0.16 0.87 -0.73 0.00 0.00 179.01 179.81 3cny h LYS 93 N 0.49 1.07 -0.70 1.92 1.57 -1.28 -1.08 116.57 118.56 3cny h LYS 93 Ca 0.11 -0.25 -0.03 0.00 -1.87 0.00 0.00 60.65 58.61 3cny h LYS 93 Cb 0.21 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.35 3cny h LYS 93 CO -0.00 0.95 0.31 0.45 -0.57 0.00 0.00 179.45 180.59 3cny h HIS 94 N 1.02 1.04 -0.60 -1.35 3.86 -1.11 -2.36 115.15 115.65 3cny h HIS 94 Ca 0.21 -0.06 0.05 0.00 -1.16 0.00 0.00 60.37 59.41 3cny h HIS 94 Cb 0.36 -0.32 -0.05 0.00 1.06 0.00 0.00 27.41 28.46 3cny h HIS 94 CO 0.03 0.79 0.32 0.00 0.86 0.00 0.00 177.93 179.92 3cny h GLN 96 N 0.60 0.97 -0.07 0.00 4.20 -1.00 -0.87 115.11 118.94 3cny h GLN 96 Ca 0.27 -0.07 -0.01 0.00 0.06 0.00 0.00 58.65 58.90 3cny h GLN 96 Cb 0.17 -0.21 -0.00 0.00 0.30 0.00 0.00 27.48 27.74 3cny h GLN 96 CO -0.18 0.66 0.01 -0.92 -0.67 0.00 0.00 178.83 177.73 3cny h TYR 97 N 0.99 0.13 -0.56 2.96 3.20 -0.98 -1.67 116.97 121.03 3cny h TYR 97 Ca 0.26 -0.02 0.08 0.00 3.14 0.00 0.00 58.73 62.19 3cny h TYR 97 Cb -0.08 -0.03 -0.06 0.00 1.54 0.00 0.00 36.73 38.09 3cny h TYR 97 CO -0.02 0.36 0.23 -0.07 -1.64 0.00 0.00 178.16 177.02 3cny h LEU 98 N -0.14 0.25 -0.70 2.82 3.38 -0.84 -1.97 115.31 118.11 3cny h LEU 98 Ca 0.02 0.06 -0.04 0.00 0.09 0.00 0.00 57.88 58.02 3cny h LEU 98 Cb 0.31 0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.06 3cny h LEU 98 CO 0.00 0.16 0.29 0.50 0.09 0.00 0.00 178.44 179.48 3cny h LYS 99 N 0.42 1.05 -0.54 1.13 3.64 -1.06 -0.11 116.57 121.10 3cny h LYS 99 Ca 0.27 -0.19 0.05 0.00 -1.27 0.00 0.00 60.65 59.52 3cny h LYS 99 Cb 0.30 -0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 31.91 3cny h LYS 99 CO -0.26 0.86 0.36 0.00 -2.27 0.00 0.00 179.45 178.14 3cny h ALA 100 N 1.14 1.82 -0.66 5.00 0.00 -0.74 -1.50 119.26 124.31 3cny h ALA 100 Ca 0.24 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.12 3cny h ALA 100 Cb 0.20 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3cny h ALA 100 CO -0.02 0.10 0.00 0.44 0.00 0.00 0.00 179.25 179.77 3cny n ILE 101 N -4.47 1.27 -3.81 0.00 -5.35 -0.79 -4.97 119.36 101.23 3cny n ILE 101 Ca 0.07 -1.08 -0.28 0.00 -0.27 0.00 0.00 62.75 61.19 3cny n ILE 101 Cb 0.20 0.38 0.04 0.00 -1.74 0.00 0.00 39.64 38.53 3cny n ILE 101 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 3cny n ASN 102 N 1.33 -5.19 -4.84 7.28 5.15 -0.57 -4.56 115.26 113.87 3cny n ASN 102 Ca 0.23 -0.71 -0.38 0.00 -0.60 0.00 0.00 54.58 53.13 3cny n ASN 102 Cb 0.68 -4.25 -0.06 0.00 -0.53 0.00 0.00 39.78 35.62 3cny n ASN 102 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3cny s ALA 103 N -3.32 3.70 -0.31 5.20 0.00 -0.15 -4.75 121.76 122.14 3cny s ALA 103 Ca 0.62 -0.24 0.21 0.00 0.00 0.00 0.00 51.96 52.55 3cny s ALA 103 Cb -0.30 -2.37 0.16 0.00 0.00 0.00 0.00 23.12 20.62 3cny s ALA 103 CO 0.80 0.48 1.37 -1.00 0.00 0.00 0.00 175.76 177.41 3cny h PRO 104 N 4.77 0.00 -4.07 0.00 0.13 -1.73 -3.41 132.00 127.70 3cny h PRO 104 Ca -0.52 0.00 -0.43 0.00 -0.87 0.00 0.00 66.00 64.18 3cny h PRO 104 Cb 1.22 0.00 -0.34 0.00 0.13 0.00 0.00 31.00 32.00 3cny h PRO 104 CO 0.62 0.11 -0.78 0.08 -0.23 0.00 0.00 178.00 177.80 3cny s VAL 105 N -3.19 0.62 -0.35 1.56 1.01 -1.24 -1.09 120.40 117.74 3cny s VAL 105 Ca 0.04 -0.15 -0.18 0.00 0.00 0.00 0.00 61.98 61.68 3cny s VAL 105 Cb 0.07 -0.65 -0.00 0.00 0.00 0.00 0.00 36.38 35.80 3cny s VAL 105 CO 0.73 0.25 0.52 0.00 0.00 0.00 0.00 175.10 176.60 3cny s ALA 106 N 1.04 3.48 -0.43 5.51 0.00 0.16 -2.49 121.76 129.03 3cny s ALA 106 Ca -0.09 -0.99 -0.20 0.00 0.00 0.00 0.00 51.96 50.68 3cny s ALA 106 Cb -0.14 -3.02 0.02 0.00 0.00 0.00 0.00 23.12 19.98 3cny s ALA 106 CO -0.00 -1.20 0.59 0.08 0.00 0.00 0.00 175.76 175.22 3cny s VAL 107 N 2.40 4.90 -0.09 0.00 1.01 -0.10 -0.99 120.40 127.54 3cny s VAL 107 Ca 0.19 -0.02 0.01 0.00 0.00 0.00 0.00 61.98 62.16 3cny s VAL 107 Cb -0.15 -4.16 -0.03 0.00 0.00 0.00 0.00 36.38 32.04 3cny s VAL 107 CO 0.13 -0.55 -0.10 -0.69 0.00 0.00 0.00 175.10 173.90 3cny s VAL 108 N 2.63 3.43 -0.04 2.92 1.01 -0.17 0.33 120.40 130.50 3cny s VAL 108 Ca 0.20 -0.56 0.01 0.00 0.00 0.00 0.00 61.98 61.63 3cny s VAL 108 Cb -0.15 -2.41 0.02 0.00 0.00 0.00 0.00 36.38 33.84 3cny s VAL 108 CO 0.17 0.57 -0.05 -0.55 0.00 0.00 0.00 175.10 175.24 3cny s SER 109 N -0.40 1.00 -0.31 3.32 0.15 -1.01 -0.68 113.70 115.77 3cny s SER 109 Ca 0.05 -0.15 -0.29 0.00 0.70 0.00 0.00 55.95 56.27 3cny s SER 109 Cb -0.12 -0.48 -0.01 0.00 -1.71 0.00 0.00 66.02 63.70 3cny s SER 109 CO 0.02 -0.04 1.64 -0.70 1.20 0.00 0.00 173.24 175.37 3cny s GLU 110 N 0.83 3.55 0.00 5.44 2.56 -1.26 -1.16 118.70 128.65 3cny s GLU 110 Ca -0.12 1.39 0.24 0.00 0.00 0.00 0.00 54.97 56.48 3cny s GLU 110 Cb -0.14 -4.10 0.24 0.00 2.00 0.00 0.00 34.13 32.12 3cny s GLU 110 CO 0.01 -1.60 1.24 1.04 -0.56 0.00 0.00 175.26 175.39 3cny n GLN 111 N 8.09 1.12 -1.71 4.30 1.13 0.86 -4.56 117.38 126.60 3cny n GLN 111 Ca 0.20 -0.86 -0.43 0.00 -1.94 0.00 0.00 57.00 53.97 3cny n GLN 111 Cb 0.46 -1.48 -0.03 0.00 0.11 0.00 0.00 30.24 29.30 3cny n GLN 111 CO 0.00 0.00 0.00 2.41 -1.44 0.00 0.00 177.06 178.03 3cny n THR 112 N -0.19 0.31 -0.90 5.09 -1.04 -1.24 -1.23 114.28 115.07 3cny n THR 112 Ca 0.10 -0.08 0.00 0.00 -2.04 0.00 0.00 64.05 62.04 3cny n THR 112 Cb 0.43 -1.85 0.00 0.00 -1.82 0.00 0.00 70.33 67.09 3cny n THR 112 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 3cny n TYR 113 N 3.28 0.00 -1.71 -1.42 4.01 -1.26 -4.70 117.16 115.36 3cny n TYR 113 Ca 0.14 0.00 -0.39 0.00 -0.16 0.00 0.00 57.90 57.49 3cny n TYR 113 Cb 0.34 -0.63 0.04 0.00 -0.31 0.00 0.00 39.34 38.78 3cny n TYR 113 CO 0.00 0.00 0.00 -2.37 -0.46 0.00 0.00 176.86 174.03 3cny n THR 114 N -2.29 3.63 -0.07 -0.72 5.66 -0.37 -4.53 114.28 115.59 3cny n THR 114 Ca 0.00 -0.50 0.09 0.00 -3.05 0.00 0.00 64.05 60.59 3cny n THR 114 Cb 0.08 -1.54 0.21 0.00 -1.55 0.00 0.00 70.33 67.53 3cny n THR 114 CO 0.00 0.00 0.00 2.30 -3.05 0.00 0.00 175.07 174.32 3cny n ILE 115 N -1.05 0.79 0.31 1.09 -5.35 -0.64 -4.67 119.36 109.84 3cny n ILE 115 Ca 0.11 -0.89 0.16 0.00 -0.27 0.00 0.00 62.75 61.86 3cny n ILE 115 Cb 0.44 0.69 0.69 0.00 -1.74 0.00 0.00 39.64 39.72 3cny n ILE 115 CO 0.00 0.00 0.00 0.06 -1.76 0.00 0.00 176.55 174.85 3cny h GLN 116 N 3.36 0.00 -0.31 6.28 3.07 -1.91 -1.71 115.11 123.88 3cny h GLN 116 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 3cny h GLN 116 Cb 0.85 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.41 3cny h GLN 116 CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 178.83 179.46 3cny n ARG 117 N -2.85 2.88 -2.08 0.06 1.74 -1.26 -4.28 116.66 110.86 3cny n ARG 117 Ca 0.01 -2.23 -0.40 0.00 -0.77 0.00 0.00 57.85 54.46 3cny n ARG 117 Cb 0.25 -1.41 -0.01 0.00 -1.02 0.00 0.00 32.46 30.28 3cny n ARG 117 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 3cny s SER 118 N -1.25 6.44 0.07 0.55 0.15 -0.65 -4.95 113.70 114.07 3cny s SER 118 Ca 0.27 2.64 0.26 0.00 0.70 0.00 0.00 55.95 59.83 3cny s SER 118 Cb 0.17 -2.64 0.76 0.00 -1.71 0.00 0.00 66.02 62.60 3cny s SER 118 CO 0.13 -0.76 1.63 0.47 1.20 0.00 0.00 173.24 175.91 3cny n ASP 119 N 0.29 0.46 0.00 5.45 8.00 -1.26 -4.60 116.55 124.89 3cny n ASP 119 Ca 0.03 0.24 0.00 0.00 0.71 0.00 0.00 54.79 55.77 3cny n ASP 119 Cb 0.43 -0.22 0.00 0.00 -0.02 0.00 0.00 41.12 41.31 3cny n ASP 119 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 3cny n THR 120 N -1.80 0.00 -2.08 -3.53 -2.24 -1.26 -4.95 114.28 98.42 3cny n THR 120 Ca 0.05 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.42 3cny n THR 120 Cb 0.38 -0.43 -0.03 0.00 -2.10 0.00 0.00 70.33 68.15 3cny n THR 120 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3cny s ALA 121 N -1.52 3.65 -0.13 6.98 0.00 -1.26 -4.79 121.76 124.68 3cny s ALA 121 Ca 0.00 1.23 -0.29 0.00 0.00 0.00 0.00 51.96 52.90 3cny s ALA 121 Cb 0.00 -3.56 -0.04 0.00 0.00 0.00 0.00 23.12 19.52 3cny s ALA 121 CO 0.00 -0.68 1.62 1.21 0.00 0.00 0.00 175.76 177.91 3cny s ASN 122 N 0.91 6.55 0.35 0.00 3.84 -1.26 -3.93 114.94 121.39 3cny s ASN 122 Ca 0.65 1.94 0.27 0.00 0.21 0.00 0.00 52.86 55.92 3cny s ASN 122 Cb -0.40 -2.53 1.09 0.00 -0.55 0.00 0.00 41.25 38.86 3cny s ASN 122 CO 0.33 -1.07 1.80 -0.29 -2.79 0.00 0.00 177.10 175.08 3cny h ILE 123 N 5.83 0.00 0.00 -5.21 6.09 -1.04 -0.78 117.51 122.40 3cny h ILE 123 Ca -0.36 -0.34 0.00 0.00 -1.37 0.00 0.00 64.86 62.79 3cny h ILE 123 Cb 1.16 1.17 0.00 0.00 0.47 0.00 0.00 36.82 39.62 3cny h ILE 123 CO 0.97 0.00 -0.72 0.49 -3.07 0.00 0.00 178.15 175.82 3cny n PHE 124 N -2.51 0.28 0.00 2.19 3.72 -1.26 -4.56 117.46 115.32 3cny n PHE 124 Ca 0.02 0.08 0.00 0.00 -0.05 0.00 0.00 57.45 57.50 3cny n PHE 124 Cb 0.26 -0.44 0.00 0.00 -0.94 0.00 0.00 39.48 38.36 3cny n PHE 124 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 3cny n LYS 125 N -1.86 3.50 -0.82 -1.08 5.02 -0.96 -4.92 118.16 117.04 3cny n LYS 125 Ca 0.04 0.00 -0.00 0.00 -2.02 0.00 0.00 58.31 56.32 3cny n LYS 125 Cb 0.40 -0.65 0.29 0.00 -0.02 0.00 0.00 35.03 35.04 3cny n LYS 125 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 3cny n ASP 126 N -0.57 4.28 -4.77 4.39 8.00 -0.34 -5.01 116.55 122.54 3cny n ASP 126 Ca 0.00 -3.23 -0.32 0.00 0.71 0.00 0.00 54.79 51.95 3cny n ASP 126 Cb 0.03 -0.67 0.07 0.00 -0.02 0.00 0.00 41.12 40.53 3cny n ASP 126 CO 0.00 0.00 0.00 -1.59 -0.39 0.00 0.00 177.20 175.22 3cny s LYS 127 N -2.97 2.56 0.70 -1.24 -2.85 -1.26 -4.90 119.74 109.77 3cny s LYS 127 Ca 0.50 1.34 -0.10 0.00 -1.00 0.00 0.00 55.97 56.70 3cny s LYS 127 Cb 0.41 -1.92 0.02 0.00 -2.06 0.00 0.00 37.83 34.28 3cny s LYS 127 CO 0.10 -1.43 1.07 -1.25 0.10 0.00 0.00 175.35 173.94 3cny s PRO 128 N -4.36 2.74 -0.09 1.78 0.04 -1.26 -5.05 135.00 128.80 3cny s PRO 128 Ca 0.65 0.32 0.01 0.00 0.04 0.00 0.00 61.00 62.02 3cny s PRO 128 Cb -0.20 -2.06 0.02 0.00 0.04 0.00 0.00 34.50 32.30 3cny s PRO 128 CO 0.47 -1.05 -0.09 0.71 0.04 0.00 0.00 177.00 177.07 3cny s TYR 129 N -3.32 1.39 0.33 0.56 2.02 -1.26 -4.12 117.35 112.95 3cny s TYR 129 Ca 0.58 -0.59 -0.27 0.00 -0.37 0.00 0.00 57.07 56.41 3cny s TYR 129 Cb -0.11 -1.10 -0.09 0.00 -0.40 0.00 0.00 41.96 40.25 3cny s TYR 129 CO 0.50 -0.38 1.13 -0.06 -1.57 0.00 0.00 175.55 175.17 3cny s PHE 130 N 1.18 3.36 0.94 2.71 0.08 -1.26 -5.05 117.98 119.94 3cny s PHE 130 Ca -0.05 1.63 -0.12 0.00 0.12 0.00 0.00 56.93 58.51 3cny s PHE 130 Cb -0.14 -3.32 0.16 0.00 -0.57 0.00 0.00 43.02 39.15 3cny s PHE 130 CO -0.02 -0.86 1.10 0.95 -0.10 0.00 0.00 175.22 176.29 3cny s THR 131 N -1.30 2.24 0.23 0.64 -4.23 -1.26 -4.78 115.64 107.17 3cny s THR 131 Ca 0.50 0.08 -0.07 0.00 -1.18 0.00 0.00 61.69 61.02 3cny s THR 131 Cb -0.31 -2.66 0.20 0.00 1.34 0.00 0.00 72.50 71.07 3cny s THR 131 CO 0.39 -0.10 1.85 0.44 -0.54 0.00 0.00 174.62 176.66 3cny h ASP 132 N -1.67 0.81 -0.47 3.99 3.32 -1.99 0.18 116.42 120.60 3cny h ASP 132 Ca -0.52 0.01 -0.10 0.00 0.02 0.00 0.00 57.03 56.44 3cny h ASP 132 Cb 1.32 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 40.69 3cny h ASP 132 CO 0.58 0.53 -0.08 0.11 -1.72 0.00 0.00 179.24 178.67 3cny h LYS 133 N 0.95 0.93 -0.58 3.56 1.57 -2.00 -1.77 116.57 119.23 3cny h LYS 133 Ca 0.35 -0.31 -0.08 0.00 -1.87 0.00 0.00 60.65 58.74 3cny h LYS 133 Cb 0.13 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.34 3cny h LYS 133 CO -0.16 0.97 0.05 0.93 -0.57 0.00 0.00 179.45 180.67 3cny h GLU 134 N 0.84 0.96 -0.78 3.15 5.08 -1.78 -1.82 114.58 120.23 3cny h GLU 134 Ca 0.14 -0.26 0.03 0.00 -1.00 0.00 0.00 59.36 58.27 3cny h GLU 134 Cb 0.61 -0.11 -0.05 0.00 0.50 0.00 0.00 28.75 29.70 3cny h GLU 134 CO 0.04 0.92 0.50 -1.49 -1.00 0.00 0.00 179.01 177.98 3cny h TRP 135 N 0.90 0.93 -0.23 4.33 4.06 -0.73 0.13 115.95 125.34 3cny h TRP 135 Ca 0.17 0.02 -0.00 0.00 2.06 0.00 0.00 58.89 61.15 3cny h TRP 135 Cb 0.46 -0.31 -0.01 0.00 -1.00 0.00 0.00 29.16 28.30 3cny h TRP 135 CO 0.03 0.54 0.13 -0.44 -3.56 0.00 0.00 178.44 175.14 3cny h ASP 136 N 0.97 0.29 -0.35 -3.49 3.32 -0.89 -0.91 116.42 115.35 3cny h ASP 136 Ca 0.31 -0.07 0.07 0.00 0.02 0.00 0.00 57.03 57.36 3cny h ASP 136 Cb 0.01 -0.07 -0.06 0.00 0.22 0.00 0.00 39.33 39.43 3cny h ASP 136 CO -0.11 0.27 -0.07 -0.33 -1.72 0.00 0.00 179.24 177.28 3cny h GLU 137 N 0.27 0.02 -0.23 3.56 5.08 -1.00 -1.41 114.58 120.87 3cny h GLU 137 Ca 0.08 -0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.40 3cny h GLU 137 Cb 0.05 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 3cny h GLU 137 CO -0.01 0.01 -0.03 0.28 -1.00 0.00 0.00 179.01 178.25 3cny h VAL 138 N 0.02 1.27 -0.53 3.13 2.07 -0.80 0.27 116.25 121.69 3cny h VAL 138 Ca 0.17 -0.99 -0.07 0.00 0.82 0.00 0.00 66.70 66.63 3cny h VAL 138 Cb 0.25 1.47 -0.02 0.00 -1.52 0.00 0.00 31.29 31.47 3cny h VAL 138 CO -0.34 0.31 0.07 0.00 0.02 0.00 0.00 177.57 177.63 3cny h LYS 140 N 0.77 0.35 -0.53 0.00 1.57 -1.14 -2.40 116.57 115.20 3cny h LYS 140 Ca 0.16 -0.03 0.04 0.00 -1.87 0.00 0.00 60.65 58.95 3cny h LYS 140 Cb 0.42 -0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.62 3cny h LYS 140 CO 0.01 0.26 0.29 0.78 -0.57 0.00 0.00 179.45 180.23 3cny h GLY 141 N 0.33 0.75 1.12 3.86 0.00 -0.24 -1.76 103.07 107.13 3cny h GLY 141 Ca 0.09 -0.21 -0.13 0.00 0.00 0.00 0.00 47.33 47.08 3cny h GLY 141 CO -0.02 0.16 -0.22 1.41 0.00 0.00 0.00 176.54 177.87 3cny h LEU 142 N 0.57 1.02 -0.67 3.11 3.38 -0.78 0.38 115.31 122.33 3cny h LEU 142 Ca 0.22 -0.39 0.06 0.00 0.09 0.00 0.00 57.88 57.87 3cny h LEU 142 Cb 0.08 -0.28 -0.06 0.00 0.09 0.00 0.00 40.66 40.50 3cny h LEU 142 CO -0.13 1.19 0.36 0.78 0.09 0.00 0.00 178.44 180.74 3cny h ASN 143 N 0.86 0.53 -0.47 -0.43 2.35 -1.30 -0.49 115.58 116.63 3cny h ASN 143 Ca 0.11 0.03 -0.02 0.00 -0.55 0.00 0.00 56.30 55.88 3cny h ASN 143 Cb 0.80 -0.07 -0.02 0.00 0.05 0.00 0.00 38.32 39.08 3cny h ASN 143 CO 0.07 0.34 0.23 -0.74 -1.65 0.00 0.00 177.43 175.68 3cny h HIS 144 N 0.67 0.68 -0.94 1.19 2.76 -0.89 -1.05 115.15 117.57 3cny h HIS 144 Ca 0.30 -0.03 0.14 0.00 -2.20 0.00 0.00 60.37 58.58 3cny h HIS 144 Cb 0.20 -0.21 -0.09 0.00 1.55 0.00 0.00 27.41 28.86 3cny h HIS 144 CO -0.08 0.54 0.55 1.88 -1.30 0.00 0.00 177.93 179.52 3cny h TYR 145 N 0.62 0.98 -0.74 5.26 0.05 -0.33 0.41 116.97 123.22 3cny h TYR 145 Ca 0.16 0.03 -0.03 0.00 0.05 0.00 0.00 58.73 58.94 3cny h TYR 145 Cb 0.11 -0.30 -0.03 0.00 1.01 0.00 0.00 36.73 37.52 3cny h TYR 145 CO -0.01 0.30 0.34 0.78 -1.05 0.00 0.00 178.16 178.52 3cny h GLY 146 N 0.80 1.16 0.93 3.88 0.00 -0.19 0.96 103.07 110.60 3cny h GLY 146 Ca 0.50 -0.59 -0.03 0.00 0.00 0.00 0.00 47.33 47.21 3cny h GLY 146 CO -0.32 0.56 0.13 0.83 0.00 0.00 0.00 176.54 177.74 3cny h GLU 147 N 1.05 0.56 -0.47 4.80 5.08 0.04 -1.34 114.58 124.30 3cny h GLU 147 Ca 0.25 -0.11 0.02 0.00 -1.00 0.00 0.00 59.36 58.52 3cny h GLU 147 Cb 0.15 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.28 3cny h GLU 147 CO -0.03 0.56 0.28 0.82 -1.00 0.00 0.00 179.01 179.64 3cny h ILE 148 N 0.44 1.05 -0.46 3.13 2.04 -0.35 -3.00 117.51 120.36 3cny h ILE 148 Ca 0.12 -0.19 -0.10 0.00 1.00 0.00 0.00 64.86 65.68 3cny h ILE 148 Cb 0.22 0.44 -0.02 0.00 -0.74 0.00 0.00 36.82 36.73 3cny h ILE 148 CO -0.01 0.10 -0.13 0.00 0.00 0.00 0.00 178.15 178.12 3cny h ALA 149 N 1.21 0.90 -1.00 1.87 0.00 -0.63 -2.80 119.26 118.80 3cny h ALA 149 Ca 0.19 -0.34 0.20 0.00 0.00 0.00 0.00 54.91 54.96 3cny h ALA 149 Cb 0.01 -0.18 -0.11 0.00 0.00 0.00 0.00 17.79 17.52 3cny h ALA 149 CO -0.08 0.63 0.61 0.00 0.00 0.00 0.00 179.25 180.41 3cny h ALA 150 N 1.08 1.73 -0.77 0.00 0.00 -1.10 0.47 119.26 120.67 3cny h ALA 150 Ca 0.12 0.08 0.09 0.00 0.00 0.00 0.00 54.91 55.20 3cny h ALA 150 Cb 0.64 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.31 3cny h ALA 150 CO 0.04 -0.11 0.51 0.87 0.00 0.00 0.00 179.25 180.56 3cny h LYS 151 N 0.72 0.70 -0.32 0.00 1.57 -1.53 -1.60 116.57 116.11 3cny h LYS 151 Ca 0.58 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 59.32 3cny h LYS 151 Cb 0.97 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 33.12 3cny h LYS 151 CO -0.38 0.47 0.00 0.66 -0.57 0.00 0.00 179.45 179.63 3cny n TYR 152 N -4.50 0.41 -1.36 -1.35 4.01 0.02 -4.93 117.16 109.46 3cny n TYR 152 Ca 0.13 -0.21 -0.06 0.00 -0.16 0.00 0.00 57.90 57.60 3cny n TYR 152 Cb 0.31 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.32 3cny n TYR 152 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3cny n GLY 153 N 1.37 0.68 3.81 2.72 0.00 -0.60 -4.85 105.19 108.32 3cny n GLY 153 Ca 0.18 -0.77 -0.27 0.00 0.00 0.00 0.00 46.02 45.16 3cny n GLY 153 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3cny s LEU 154 N -1.37 3.86 -0.06 0.99 1.43 -0.40 -4.93 118.68 118.20 3cny s LEU 154 Ca 0.00 -0.06 0.01 0.00 -1.03 0.00 0.00 54.13 53.05 3cny s LEU 154 Cb 0.00 -2.48 -0.03 0.00 0.03 0.00 0.00 46.19 43.71 3cny s LEU 154 CO 0.00 0.10 -0.08 -0.54 0.23 0.00 0.00 176.35 176.06 3cny s LYS 155 N -2.90 2.71 -0.20 1.70 1.02 -0.25 -3.74 119.74 118.07 3cny s LYS 155 Ca 0.31 -0.57 -0.18 0.00 0.02 0.00 0.00 55.97 55.54 3cny s LYS 155 Cb -0.11 -2.56 -0.03 0.00 -0.52 0.00 0.00 37.83 34.61 3cny s LYS 155 CO 0.23 0.66 0.52 0.08 -0.92 0.00 0.00 175.35 175.92 3cny s VAL 156 N -0.81 5.10 -0.27 3.17 1.01 -1.26 -0.67 120.40 126.68 3cny s VAL 156 Ca 0.12 0.95 -0.00 0.00 0.00 0.00 0.00 61.98 63.05 3cny s VAL 156 Cb -0.11 -3.84 0.04 0.00 0.00 0.00 0.00 36.38 32.47 3cny s VAL 156 CO 0.02 0.17 -0.06 0.00 0.00 0.00 0.00 175.10 175.23 3cny s ALA 157 N 1.68 2.68 -0.12 5.51 0.00 -0.16 -0.21 121.76 131.15 3cny s ALA 157 Ca 0.24 -1.63 -0.29 0.00 0.00 0.00 0.00 51.96 50.27 3cny s ALA 157 Cb -0.15 -1.72 -0.01 0.00 0.00 0.00 0.00 23.12 21.23 3cny s ALA 157 CO 0.10 -1.05 1.03 -0.47 0.00 0.00 0.00 175.76 175.37 3cny s TYR 158 N 1.24 3.45 -0.72 0.00 5.04 -0.48 -1.00 117.35 124.88 3cny s TYR 158 Ca -0.04 1.53 -0.16 0.00 -2.44 0.00 0.00 57.07 55.96 3cny s TYR 158 Cb -0.18 -3.23 0.16 0.00 0.35 0.00 0.00 41.96 39.06 3cny s TYR 158 CO -0.04 -0.39 0.73 -1.58 -1.34 0.00 0.00 175.55 172.94 3cny s HIS 159 N 2.22 3.40 0.31 4.97 5.65 0.14 -0.21 115.29 131.77 3cny s HIS 159 Ca 0.49 -1.53 -0.29 0.00 0.25 0.00 0.00 55.06 53.97 3cny s HIS 159 Cb -0.18 -3.91 -0.13 0.00 -1.18 0.00 0.00 32.58 27.18 3cny s HIS 159 CO 0.17 -1.12 1.33 -2.39 -0.65 0.00 0.00 174.74 172.07 3cny n HIS 160 N 5.09 2.25 0.00 3.88 1.44 -1.26 -4.66 115.22 121.96 3cny n HIS 160 Ca 0.03 0.51 0.00 0.00 -2.01 0.00 0.00 57.72 56.25 3cny n HIS 160 Cb 0.44 -2.43 0.00 0.00 0.12 0.00 0.00 29.99 28.12 3cny n HIS 160 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11 3cny n HIS 161 N 0.84 0.00 0.00 -1.40 -0.00 -0.68 -4.88 115.22 109.10 3cny n HIS 161 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.79 3cny n HIS 161 Cb 0.35 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.34 3cny n HIS 161 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 3cny n GLY 163 N 0.00 0.00 3.81 1.57 0.00 -1.26 -4.14 105.19 105.17 3cny n GLY 163 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 3cny n GLY 163 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3cny s THR 164 N 0.00 2.34 -0.67 2.61 -4.23 -1.26 -1.62 115.64 112.80 3cny s THR 164 Ca 0.00 -1.54 0.17 0.00 -1.18 0.00 0.00 61.69 59.14 3cny s THR 164 Cb 0.00 -2.88 0.17 0.00 1.34 0.00 0.00 72.50 71.13 3cny s THR 164 CO 0.00 0.00 1.53 0.61 -0.54 0.00 0.00 174.62 176.22 3cny n GLY 165 N -1.42 -1.02 2.67 3.99 0.00 -1.26 -3.96 105.19 104.18 3cny n GLY 165 Ca 0.00 0.05 -0.29 0.00 0.00 0.00 0.00 46.02 45.79 3cny n GLY 165 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3cny s ILE 166 N -3.21 1.40 -0.01 -0.61 1.01 -1.26 -4.59 121.20 113.93 3cny s ILE 166 Ca 0.04 -2.87 -0.01 0.00 0.00 0.00 0.00 60.65 57.80 3cny s ILE 166 Cb 0.08 -1.96 -0.01 0.00 0.01 0.00 0.00 42.46 40.58 3cny s ILE 166 CO 0.27 -1.00 -0.03 1.67 0.00 0.00 0.00 174.94 175.86 3cny n GLN 167 N 3.10 0.04 -1.65 2.79 7.27 -1.25 -1.69 117.38 126.00 3cny n GLN 167 Ca 0.16 0.02 -0.30 0.00 0.07 0.00 0.00 57.00 56.94 3cny n GLN 167 Cb 0.38 -0.57 0.07 0.00 2.41 0.00 0.00 30.24 32.52 3cny n GLN 167 CO 0.00 0.00 0.00 0.95 0.07 0.00 0.00 177.06 178.08 3cny s THR 168 N -2.04 3.39 0.22 1.69 -4.23 -1.26 -4.52 115.64 108.89 3cny s THR 168 Ca -0.03 0.45 -0.08 0.00 -1.18 0.00 0.00 61.69 60.85 3cny s THR 168 Cb 0.01 -3.27 0.17 0.00 1.34 0.00 0.00 72.50 70.75 3cny s THR 168 CO 0.04 -0.59 1.84 0.50 -0.54 0.00 0.00 174.62 175.87 3cny h LYS 169 N -0.89 0.85 -0.82 3.99 3.64 -1.97 -1.00 116.57 120.37 3cny h LYS 169 Ca -0.46 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 58.86 3cny h LYS 169 Cb 1.25 -0.19 -0.04 0.00 -0.41 0.00 0.00 32.23 32.84 3cny h LYS 169 CO 0.60 0.56 0.48 0.93 -2.27 0.00 0.00 179.45 179.75 3cny h GLU 170 N 0.88 1.13 -0.56 1.90 3.07 -1.99 0.32 114.58 119.33 3cny h GLU 170 Ca 0.32 -0.11 -0.02 0.00 -0.50 0.00 0.00 59.36 59.04 3cny h GLU 170 Cb 0.09 -0.23 -0.03 0.00 -0.84 0.00 0.00 28.75 27.74 3cny h GLU 170 CO -0.14 0.81 0.26 0.93 -1.40 0.00 0.00 179.01 179.47 3cny h GLU 171 N 1.13 0.81 -0.88 2.33 5.08 -1.87 -1.65 114.58 119.54 3cny h GLU 171 Ca 0.29 -0.12 -0.02 0.00 -1.00 0.00 0.00 59.36 58.51 3cny h GLU 171 Cb -0.01 -0.14 -0.04 0.00 0.50 0.00 0.00 28.75 29.05 3cny h GLU 171 CO -0.05 0.67 0.46 1.15 -1.00 0.00 0.00 179.01 180.24 3cny h THR 172 N 0.76 1.26 -0.54 1.13 2.02 -0.46 -1.30 112.91 115.77 3cny h THR 172 Ca 0.19 -0.67 0.03 0.00 0.77 0.00 0.00 66.41 66.73 3cny h THR 172 Cb 0.13 0.09 -0.04 0.00 -1.74 0.00 0.00 68.15 66.59 3cny h THR 172 CO -0.02 0.30 0.31 0.44 0.37 0.00 0.00 175.52 176.92 3cny h ASP 173 N 1.24 0.49 -0.60 4.18 3.32 -0.19 -2.44 116.42 122.42 3cny h ASP 173 Ca 0.31 0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.35 3cny h ASP 173 Cb 0.06 -0.09 -0.03 0.00 0.22 0.00 0.00 39.33 39.49 3cny h ASP 173 CO -0.05 0.34 0.30 -0.09 -1.72 0.00 0.00 179.24 178.03 3cny h ARG 174 N 0.61 0.85 -0.87 3.56 2.43 -0.71 -0.37 114.38 119.89 3cny h ARG 174 Ca 0.22 -0.12 0.00 0.00 -0.81 0.00 0.00 59.98 59.27 3cny h ARG 174 Cb 0.05 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.45 3cny h ARG 174 CO -0.11 0.68 0.00 -0.11 -1.51 0.00 0.00 179.97 178.92 3cny n LEU 175 N -4.54 0.29 0.00 3.80 7.94 -0.55 -2.21 117.00 121.73 3cny n LEU 175 Ca 0.04 -0.14 0.00 0.00 -1.11 0.00 0.00 56.01 54.79 3cny n LEU 175 Cb 0.11 -0.08 0.00 0.00 0.53 0.00 0.00 43.42 43.99 3cny n LEU 175 CO 0.38 0.06 0.00 0.00 -1.11 0.00 0.00 177.39 176.71 3cny n ALA 177 N 0.63 0.00 -0.78 1.96 0.00 -0.15 -2.10 120.51 120.08 3cny n ALA 177 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.50 3cny n ALA 177 Cb 0.06 0.00 0.08 0.00 0.00 0.00 0.00 19.45 19.59 3cny n ALA 177 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3cny n ASN 178 N 0.00 2.03 -4.33 0.00 3.02 -0.94 -5.01 115.26 110.04 3cny n ASN 178 Ca 0.00 -2.62 -0.19 0.00 -0.03 0.00 0.00 54.58 51.75 3cny n ASN 178 Cb 0.00 -0.27 -0.10 0.00 -0.61 0.00 0.00 39.78 38.80 3cny n ASN 178 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 3cny s THR 179 N -2.03 1.69 -0.11 3.41 -4.23 -0.89 -4.76 115.64 108.71 3cny s THR 179 Ca 0.19 -2.11 -0.30 0.00 -1.18 0.00 0.00 61.69 58.29 3cny s THR 179 Cb 0.17 -1.96 -0.01 0.00 1.34 0.00 0.00 72.50 72.04 3cny s THR 179 CO 0.02 -0.54 1.01 -0.62 -0.54 0.00 0.00 174.62 173.95 3cny s ASP 180 N -3.13 7.23 0.61 3.99 -1.08 -1.26 -4.93 116.67 118.10 3cny s ASP 180 Ca 0.20 1.53 0.38 0.00 -0.52 0.00 0.00 52.55 54.13 3cny s ASP 180 Cb -0.02 -2.56 1.95 0.00 -1.46 0.00 0.00 42.92 40.83 3cny s ASP 180 CO 0.06 -0.47 2.21 -0.65 0.52 0.00 0.00 175.17 176.85 3cny h PRO 181 N 7.13 0.00 0.00 4.34 0.11 -2.00 -0.16 132.00 141.42 3cny h PRO 181 Ca -0.30 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.77 3cny h PRO 181 Cb 1.14 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 3cny h PRO 181 CO 0.87 0.02 -0.21 0.87 -0.21 0.00 0.00 178.00 179.34 3cny h LYS 182 N 0.00 0.00 0.00 1.05 1.57 -2.02 -3.37 116.57 113.80 3cny h LYS 182 Ca -0.00 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.57 3cny h LYS 182 Cb 0.19 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.46 3cny h LYS 182 CO 0.00 0.21 -1.80 1.28 -0.57 0.00 0.00 179.45 178.57 3cny n LEU 183 N -3.30 0.90 -4.03 2.94 4.77 -0.29 -4.98 117.00 113.01 3cny n LEU 183 Ca 0.01 -0.02 -0.31 0.00 -0.03 0.00 0.00 56.01 55.66 3cny n LEU 183 Cb 0.46 0.04 -0.16 0.00 -2.33 0.00 0.00 43.42 41.43 3cny n LEU 183 CO 0.33 0.42 -0.48 -0.69 -1.33 0.00 0.00 177.39 175.64 3cny s VAL 184 N -2.28 1.73 0.55 4.08 1.01 -0.23 -3.94 120.40 121.32 3cny s VAL 184 Ca -0.10 -0.90 0.08 0.00 0.00 0.00 0.00 61.98 61.07 3cny s VAL 184 Cb 0.04 -1.69 0.06 0.00 0.00 0.00 0.00 36.38 34.79 3cny s VAL 184 CO 0.43 0.33 0.63 -0.83 0.00 0.00 0.00 175.10 175.66 3cny s GLY 185 N 1.39 1.98 -0.09 4.51 0.00 0.70 -4.52 107.32 111.29 3cny s GLY 185 Ca 0.02 -1.81 0.01 0.00 0.00 0.00 0.00 44.72 42.93 3cny s GLY 185 CO -0.10 -1.76 -0.11 -2.27 0.00 0.00 0.00 173.10 168.87 3cny s LEU 186 N -4.49 2.91 -0.44 0.66 2.96 0.13 -1.38 118.68 119.03 3cny s LEU 186 Ca 0.51 -0.18 -0.21 0.00 -0.22 0.00 0.00 54.13 54.03 3cny s LEU 186 Cb -0.05 -1.64 0.02 0.00 0.50 0.00 0.00 46.19 45.03 3cny s LEU 186 CO 0.32 0.27 0.67 -0.22 -1.32 0.00 0.00 176.35 176.08 3cny s LEU 187 N -0.29 4.45 -0.28 -0.68 2.96 0.70 -1.52 118.68 124.03 3cny s LEU 187 Ca 0.03 -0.30 -0.21 0.00 -0.22 0.00 0.00 54.13 53.43 3cny s LEU 187 Cb -0.13 -2.78 -0.01 0.00 0.50 0.00 0.00 46.19 43.77 3cny s LEU 187 CO 0.03 -0.81 0.66 -0.47 -1.32 0.00 0.00 176.35 174.43 3cny s TYR 188 N 2.92 3.25 -0.22 5.38 5.04 -0.81 -4.27 117.35 128.64 3cny s TYR 188 Ca 0.24 0.76 0.02 0.00 -2.44 0.00 0.00 57.07 55.64 3cny s TYR 188 Cb -0.14 -2.94 0.05 0.00 0.35 0.00 0.00 41.96 39.28 3cny s TYR 188 CO 0.20 -0.41 -0.12 0.34 -1.34 0.00 0.00 175.55 174.22 3cny s ASP 189 N 1.54 3.79 0.31 4.32 -1.08 -1.26 -0.84 116.67 123.45 3cny s ASP 189 Ca 0.27 -1.07 0.00 0.00 -0.52 0.00 0.00 52.55 51.23 3cny s ASP 189 Cb -0.15 -1.40 0.52 0.00 -1.46 0.00 0.00 42.92 40.43 3cny s ASP 189 CO 0.10 -0.14 1.95 0.71 0.52 0.00 0.00 175.17 178.30 3cny h THR 190 N 6.48 1.13 0.11 1.71 1.35 -1.73 -2.97 112.91 118.99 3cny h THR 190 Ca -0.27 -0.35 -0.30 0.00 -0.55 0.00 0.00 66.41 64.94 3cny h THR 190 Cb 1.08 0.01 0.03 0.00 -1.73 0.00 0.00 68.15 67.53 3cny h THR 190 CO 0.49 0.19 -1.23 1.23 -0.25 0.00 0.00 175.52 175.95 3cny h GLY 191 N 1.03 0.69 1.07 5.82 0.00 -1.78 -0.77 103.07 109.13 3cny h GLY 191 Ca 0.34 -1.42 -0.06 0.00 0.00 0.00 0.00 47.33 46.18 3cny h GLY 191 CO -0.10 1.25 0.22 0.45 0.00 0.00 0.00 176.54 178.36 3cny h HIS 192 N 0.28 1.20 -0.02 5.60 3.86 -1.87 -1.86 115.15 122.33 3cny h HIS 192 Ca -0.18 -0.12 -0.26 0.00 -1.16 0.00 0.00 60.37 58.65 3cny h HIS 192 Cb 1.90 -0.35 0.02 0.00 1.06 0.00 0.00 27.41 30.04 3cny h HIS 192 CO 0.11 0.95 -1.00 0.97 0.86 0.00 0.00 177.93 179.82 3cny h ILE 193 N 1.10 1.28 -0.83 2.45 6.09 -1.55 -2.32 117.51 123.74 3cny h ILE 193 Ca 0.24 -2.20 0.04 0.00 -1.37 0.00 0.00 64.86 61.57 3cny h ILE 193 Cb 0.32 2.33 -0.05 0.00 0.47 0.00 0.00 36.82 39.88 3cny h ILE 193 CO -0.01 0.68 0.52 0.00 -3.07 0.00 0.00 178.15 176.28 3cny h ALA 194 N 0.42 1.11 -0.04 0.18 0.00 -1.02 -0.95 119.26 118.97 3cny h ALA 194 Ca -0.12 -0.02 -0.22 0.00 0.00 0.00 0.00 54.91 54.55 3cny h ALA 194 Cb 1.65 -0.26 0.01 0.00 0.00 0.00 0.00 17.79 19.19 3cny h ALA 194 CO 0.20 0.31 -0.89 0.28 0.00 0.00 0.00 179.25 179.15 3cny h VAL 195 N 0.99 1.36 0.06 0.00 2.07 -1.38 0.13 116.25 119.47 3cny h VAL 195 Ca 0.34 -2.28 -0.00 0.00 0.82 0.00 0.00 66.70 65.58 3cny h VAL 195 Cb 0.08 2.29 0.00 0.00 -1.52 0.00 0.00 31.29 32.13 3cny h VAL 195 CO -0.14 0.69 -0.03 -1.28 0.02 0.00 0.00 177.57 176.84 3cny h SER 196 N 0.31 -0.06 -0.00 0.57 0.87 -1.11 -3.38 113.55 110.74 3cny h SER 196 Ca -0.07 -0.20 0.00 0.00 -1.23 0.00 0.00 61.79 60.28 3cny h SER 196 Cb 1.52 0.02 0.00 0.00 -0.44 0.00 0.00 62.40 63.50 3cny h SER 196 CO 0.16 0.17 -0.03 0.47 -0.53 0.00 0.00 176.83 177.07 3cny n ASP 197 N -5.02 0.51 -0.54 6.23 9.92 -0.39 -5.00 116.55 122.27 3cny n ASP 197 Ca -0.08 -0.75 -0.07 0.00 -0.53 0.00 0.00 54.79 53.36 3cny n ASP 197 Cb 0.15 0.57 -0.03 0.00 -0.64 0.00 0.00 41.12 41.17 3cny n ASP 197 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3cny n GLY 198 N 0.62 0.92 3.64 0.44 0.00 0.44 -4.97 105.19 106.28 3cny n GLY 198 Ca 0.00 -0.65 -0.10 0.00 0.00 0.00 0.00 46.02 45.27 3cny n GLY 198 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3cny s ASP 199 N -2.85 -0.70 -0.42 1.61 -1.08 -1.24 -5.00 116.67 106.98 3cny s ASP 199 Ca 0.00 1.27 0.04 0.00 -0.52 0.00 0.00 52.55 53.35 3cny s ASP 199 Cb 0.00 1.29 0.45 0.00 -1.46 0.00 0.00 42.92 43.21 3cny s ASP 199 CO 0.00 -0.21 1.46 0.00 0.52 0.00 0.00 175.17 176.93 3cny n TYR 200 N 2.99 2.92 0.00 -5.34 4.11 -1.26 -3.71 117.16 116.88 3cny n TYR 200 Ca -0.15 -2.50 0.00 0.00 -0.00 0.00 0.00 57.90 55.25 3cny n TYR 200 Cb 0.56 -0.69 0.00 0.00 -0.00 0.00 0.00 39.34 39.22 3cny n TYR 200 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 3cny n ALA 202 N -0.76 0.00 -0.22 -3.48 0.00 -1.26 -3.42 120.51 111.36 3cny n ALA 202 Ca 0.50 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.89 3cny n ALA 202 Cb 0.85 0.00 0.05 0.00 0.00 0.00 0.00 19.45 20.36 3cny n ALA 202 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3cny h LEU 203 N 0.00 0.68 -0.37 0.00 5.85 -1.98 -1.26 115.31 118.23 3cny h LEU 203 Ca 0.00 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.70 3cny h LEU 203 Cb 0.00 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 40.85 3cny h LEU 203 CO 0.00 0.48 0.18 0.25 -0.34 0.00 0.00 178.44 179.01 3cny h LEU 204 N 0.81 0.49 -0.95 2.25 5.85 -1.95 -2.17 115.31 119.64 3cny h LEU 204 Ca 0.24 -0.13 -0.06 0.00 0.84 0.00 0.00 57.88 58.77 3cny h LEU 204 Cb -0.04 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 40.84 3cny h LEU 204 CO -0.07 0.48 0.10 0.78 -0.34 0.00 0.00 178.44 179.39 3cny h ASN 205 N 0.46 0.82 0.14 1.25 2.35 -1.82 0.14 115.58 118.92 3cny h ASN 205 Ca 0.13 -0.16 -0.13 0.00 -0.55 0.00 0.00 56.30 55.58 3cny h ASN 205 Cb 0.12 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.27 3cny h ASN 205 CO -0.02 0.82 -0.46 0.00 -1.65 0.00 0.00 177.43 176.12 3cny h ALA 206 N 1.28 0.93 0.00 -0.83 0.00 -0.97 -3.36 119.26 116.31 3cny h ALA 206 Ca 0.17 -0.46 -0.08 0.00 0.00 0.00 0.00 54.91 54.55 3cny h ALA 206 Cb 0.35 -0.09 -0.18 0.00 0.00 0.00 0.00 17.79 17.87 3cny h ALA 206 CO 0.01 0.65 -0.69 0.72 0.00 0.00 0.00 179.25 179.93 3cny n HIS 207 N -3.99 0.00 -0.32 0.00 8.25 -0.84 -4.83 115.22 113.49 3cny n HIS 207 Ca -0.02 -0.74 0.18 0.00 -0.26 0.00 0.00 57.72 56.88 3cny n HIS 207 Cb 0.53 -0.16 0.43 0.00 1.12 0.00 0.00 29.99 31.91 3cny n HIS 207 CO 0.00 0.00 0.00 0.97 0.64 0.00 0.00 176.34 177.95 3cny h ILE 208 N 4.64 0.62 0.00 1.59 6.09 -0.88 0.24 117.51 129.81 3cny h ILE 208 Ca -0.10 -0.19 -0.01 0.00 -1.37 0.00 0.00 64.86 63.19 3cny h ILE 208 Cb 1.48 0.03 -0.00 0.00 0.47 0.00 0.00 36.82 38.79 3cny h ILE 208 CO 0.05 0.10 -0.04 -2.24 -3.07 0.00 0.00 178.15 172.95 3cny h ASP 209 N 0.54 0.00 -0.02 2.19 2.03 -1.88 -2.74 116.42 116.55 3cny h ASP 209 Ca 0.57 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.87 3cny h ASP 209 Cb 1.20 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.70 3cny h ASP 209 CO -0.32 0.04 -0.35 0.54 -1.03 0.00 0.00 179.24 178.11 3cny n ARG 210 N -3.66 1.49 -2.40 4.15 5.12 0.06 -4.95 116.66 116.46 3cny n ARG 210 Ca -0.03 -1.16 -0.43 0.00 -1.93 0.00 0.00 57.85 54.31 3cny n ARG 210 Cb 0.14 -1.44 -0.02 0.00 -1.16 0.00 0.00 32.46 29.97 3cny n ARG 210 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 3cny s VAL 211 N -2.27 4.23 -0.02 1.55 1.01 -1.04 0.18 120.40 124.05 3cny s VAL 211 Ca 0.19 1.48 0.00 0.00 0.00 0.00 0.00 61.98 63.66 3cny s VAL 211 Cb 0.18 -3.97 -0.00 0.00 0.00 0.00 0.00 36.38 32.58 3cny s VAL 211 CO 0.49 -0.15 0.06 1.33 0.00 0.00 0.00 175.10 176.82 3cny n VAL 212 N 5.43 0.00 -3.66 2.92 0.24 -0.57 -4.87 118.33 117.82 3cny n VAL 212 Ca 0.14 -0.49 -0.14 0.00 -2.04 0.00 0.00 64.34 61.80 3cny n VAL 212 Cb 0.45 1.00 -0.08 0.00 -1.47 0.00 0.00 33.84 33.74 3cny n VAL 212 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 3cny s HIS 213 N -0.93 -0.60 -0.04 6.34 5.04 -1.18 -4.63 115.29 119.29 3cny s HIS 213 Ca 0.00 1.38 0.04 0.00 -1.54 0.00 0.00 55.06 54.94 3cny s HIS 213 Cb 0.00 0.24 -0.00 0.00 0.04 0.00 0.00 32.58 32.86 3cny s HIS 213 CO 0.01 -0.37 -0.17 0.08 -2.34 0.00 0.00 174.74 171.96 3cny s VAL 214 N -0.10 1.39 -0.18 0.89 1.01 -0.82 -1.92 120.40 120.67 3cny s VAL 214 Ca -0.03 -0.70 -0.02 0.00 0.00 0.00 0.00 61.98 61.23 3cny s VAL 214 Cb -0.03 -1.19 -0.01 0.00 0.00 0.00 0.00 36.38 35.15 3cny s VAL 214 CO 0.03 0.40 -0.09 -1.00 0.00 0.00 0.00 175.10 174.44 3cny s HIS 215 N -0.02 2.89 -0.53 5.22 3.76 -0.02 -0.42 115.29 126.17 3cny s HIS 215 Ca -0.02 -0.92 -0.20 0.00 -0.15 0.00 0.00 55.06 53.76 3cny s HIS 215 Cb -0.11 -1.99 0.06 0.00 1.11 0.00 0.00 32.58 31.65 3cny s HIS 215 CO 0.02 -0.46 0.71 -0.06 -0.85 0.00 0.00 174.74 174.10 3cny s PHE 216 N 1.06 2.97 -0.21 1.40 0.40 0.19 -2.44 117.98 121.36 3cny s PHE 216 Ca 0.00 -0.49 0.01 0.00 -0.60 0.00 0.00 56.93 55.85 3cny s PHE 216 Cb -0.15 -3.74 0.04 0.00 0.51 0.00 0.00 43.02 39.69 3cny s PHE 216 CO -0.02 -1.16 -0.11 0.21 0.70 0.00 0.00 175.22 174.85 3cny s LYS 217 N 2.96 2.10 0.56 0.44 2.20 -1.26 -1.38 119.74 125.37 3cny s LYS 217 Ca 0.18 -0.91 -0.06 0.00 -0.36 0.00 0.00 55.97 54.83 3cny s LYS 217 Cb -0.18 -2.49 -0.00 0.00 -1.51 0.00 0.00 37.83 33.64 3cny s LYS 217 CO 0.12 -0.44 0.87 0.34 -0.36 0.00 0.00 175.35 175.89 3cny s ASP 218 N 1.35 5.77 -0.03 1.43 -1.08 0.68 -2.57 116.67 122.21 3cny s ASP 218 Ca -0.02 0.76 0.04 0.00 -0.52 0.00 0.00 52.55 52.81 3cny s ASP 218 Cb -0.17 -1.84 -0.00 0.00 -1.46 0.00 0.00 42.92 39.45 3cny s ASP 218 CO -0.08 -0.94 -0.16 -0.69 0.52 0.00 0.00 175.17 173.83 3cny s VAL 219 N -2.92 1.28 -0.60 1.11 1.01 -1.26 -1.32 120.40 117.70 3cny s VAL 219 Ca 0.52 -0.65 -0.19 0.00 0.00 0.00 0.00 61.98 61.66 3cny s VAL 219 Cb -0.10 -1.10 0.10 0.00 0.00 0.00 0.00 36.38 35.28 3cny s VAL 219 CO 0.45 0.37 0.74 -0.13 0.00 0.00 0.00 175.10 176.53 3cny s ARG 220 N -0.05 3.05 0.21 2.72 0.52 -1.26 0.56 118.95 124.70 3cny s ARG 220 Ca -0.01 -1.25 -0.10 0.00 -0.52 0.00 0.00 55.73 53.85 3cny s ARG 220 Cb -0.10 -4.26 0.20 0.00 0.52 0.00 0.00 34.95 31.31 3cny s ARG 220 CO 0.01 -1.58 1.84 -0.09 0.02 0.00 0.00 175.30 175.50 3cny h ARG 221 N 9.24 0.81 -0.71 3.54 2.43 -1.96 -0.65 114.38 127.08 3cny h ARG 221 Ca -0.29 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 58.81 3cny h ARG 221 Cb 1.08 -0.18 -0.03 0.00 -0.42 0.00 0.00 29.97 30.42 3cny h ARG 221 CO 1.11 0.54 0.39 0.66 -1.51 0.00 0.00 179.97 181.16 3cny h SER 222 N 0.84 0.88 -0.38 -3.80 4.64 -1.98 -0.33 113.55 113.42 3cny h SER 222 Ca 0.28 -0.07 -0.10 0.00 -0.47 0.00 0.00 61.79 61.44 3cny h SER 222 Cb 0.04 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 61.90 3cny h SER 222 CO -0.12 0.71 -0.14 0.11 -0.87 0.00 0.00 176.83 176.52 3cny h LYS 223 N 1.00 0.77 -0.41 4.77 1.79 -1.67 -2.18 116.57 120.64 3cny h LYS 223 Ca 0.25 -0.32 0.08 0.00 -2.18 0.00 0.00 60.65 58.49 3cny h LYS 223 Cb 0.03 -0.03 -0.08 0.00 -1.58 0.00 0.00 32.23 30.57 3cny h LYS 223 CO -0.04 0.93 -0.13 1.49 -1.08 0.00 0.00 179.45 180.61 3cny h GLU 224 N 0.57 -0.04 -0.43 3.15 4.81 -0.61 0.11 114.58 122.14 3cny h GLU 224 Ca 0.09 0.00 0.05 0.00 -0.13 0.00 0.00 59.36 59.37 3cny h GLU 224 Cb 0.68 0.01 -0.05 0.00 0.63 0.00 0.00 28.75 30.02 3cny h GLU 224 CO 0.05 -0.03 0.16 0.93 -0.73 0.00 0.00 179.01 179.38 3cny h GLU 225 N -0.04 0.32 -0.26 1.92 5.08 -0.90 0.44 114.58 121.13 3cny h GLU 225 Ca 0.20 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.51 3cny h GLU 225 Cb 0.35 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 3cny h GLU 225 CO -0.44 0.21 0.06 0.93 -1.00 0.00 0.00 179.01 178.76 3cny h GLU 226 N 0.33 0.42 -0.79 2.33 5.08 -0.99 0.31 114.58 121.27 3cny h GLU 226 Ca 0.20 -0.11 0.07 0.00 -1.00 0.00 0.00 59.36 58.52 3cny h GLU 226 Cb 0.18 -0.05 -0.06 0.00 0.50 0.00 0.00 28.75 29.32 3cny h GLU 226 CO -0.20 0.53 0.47 0.00 -1.00 0.00 0.00 179.01 178.81 3cny h ARG 228 N 0.84 0.41 -0.56 0.00 2.43 -0.64 -0.54 114.38 116.33 3cny h ARG 228 Ca 0.35 -0.16 0.08 0.00 -0.81 0.00 0.00 59.98 59.44 3cny h ARG 228 Cb 0.20 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.70 3cny h ARG 228 CO -0.19 0.67 0.37 0.00 -1.51 0.00 0.00 179.97 179.32 3cny h ALA 229 N 0.73 1.96 -0.00 2.80 0.00 -0.68 -1.12 119.26 122.95 3cny h ALA 229 Ca 0.05 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3cny h ALA 229 Cb 0.53 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.22 3cny h ALA 229 CO 0.02 -0.07 -0.49 1.63 0.00 0.00 0.00 179.25 180.35 3cny n LYS 230 N -4.47 0.20 -3.36 0.00 5.02 -0.36 -4.97 118.16 110.22 3cny n LYS 230 Ca 0.08 -0.12 -0.18 0.00 -2.02 0.00 0.00 58.31 56.07 3cny n LYS 230 Cb 0.31 -1.50 0.08 0.00 -0.02 0.00 0.00 35.03 33.90 3cny n LYS 230 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3cny n GLY 231 N 1.46 -0.32 3.76 0.72 0.00 -0.28 -4.99 105.19 105.55 3cny n GLY 231 Ca 0.07 0.09 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 3cny n GLY 231 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3cny s LEU 232 N -6.18 2.35 0.89 0.99 1.43 -0.79 -4.35 118.68 113.01 3cny s LEU 232 Ca 0.22 1.36 -0.13 0.00 -1.03 0.00 0.00 54.13 54.55 3cny s LEU 232 Cb -0.10 -3.84 0.13 0.00 0.03 0.00 0.00 46.19 42.41 3cny s LEU 232 CO 0.65 -2.38 1.17 0.42 0.23 0.00 0.00 176.35 176.44 3cny s THR 233 N -3.05 1.98 0.14 5.49 -4.23 -1.25 -0.50 115.64 114.22 3cny s THR 233 Ca 0.62 0.00 -0.18 0.00 -1.18 0.00 0.00 61.69 60.96 3cny s THR 233 Cb -0.16 -2.85 -0.02 0.00 1.34 0.00 0.00 72.50 70.81 3cny s THR 233 CO 0.56 0.00 1.78 0.15 -0.54 0.00 0.00 174.62 176.57 3cny h PHE 234 N -1.40 0.31 -0.23 3.99 3.57 -1.81 0.84 116.94 122.22 3cny h PHE 234 Ca -0.48 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 60.99 3cny h PHE 234 Cb 1.32 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.95 3cny h PHE 234 CO 0.06 0.18 -0.02 1.96 -2.23 0.00 0.00 178.31 178.26 3cny h GLN 235 N 0.35 0.42 -0.75 1.11 4.20 -1.85 -0.98 115.11 117.60 3cny h GLN 235 Ca 0.12 -0.14 0.16 0.00 0.06 0.00 0.00 58.65 58.85 3cny h GLN 235 Cb 0.02 -0.03 -0.11 0.00 0.30 0.00 0.00 27.48 27.66 3cny h GLN 235 CO -0.07 0.62 0.22 0.78 -0.67 0.00 0.00 178.83 179.71 3cny h GLY 236 N 0.18 1.08 0.67 3.46 0.00 -1.88 0.11 103.07 106.68 3cny h GLY 236 Ca 0.06 -0.07 -0.01 0.00 0.00 0.00 0.00 47.33 47.31 3cny h GLY 236 CO 0.02 -0.18 -0.02 1.76 0.00 0.00 0.00 176.54 178.12 3cny h SER 237 N 0.32 0.10 0.30 0.19 0.02 -0.36 -0.59 113.55 113.53 3cny h SER 237 Ca 0.42 -0.38 -0.07 0.00 -0.84 0.00 0.00 61.79 60.92 3cny h SER 237 Cb 0.71 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 63.21 3cny h SER 237 CO -0.48 0.46 -0.32 2.19 -1.14 0.00 0.00 176.83 177.54 3cny h PHE 238 N -0.25 0.05 0.00 3.45 -5.15 -0.91 -1.52 116.94 112.60 3cny h PHE 238 Ca 0.01 -0.01 0.00 0.00 -0.20 0.00 0.00 57.97 57.77 3cny h PHE 238 Cb 0.42 -0.01 0.00 0.00 0.22 0.00 0.00 35.95 36.57 3cny h PHE 238 CO 0.06 0.36 0.00 1.28 -2.00 0.00 0.00 178.31 178.01 3cny n LEU 239 N -4.14 0.63 -1.50 2.10 4.77 0.35 -2.47 117.00 116.74 3cny n LEU 239 Ca -0.02 0.61 0.09 0.00 -0.03 0.00 0.00 56.01 56.67 3cny n LEU 239 Cb 0.37 -0.47 0.34 0.00 -2.33 0.00 0.00 43.42 41.33 3cny n LEU 239 CO 0.39 -0.37 0.79 -3.20 -1.33 0.00 0.00 177.39 173.67 3cny n ASN 240 N -2.15 4.43 -1.15 -1.43 5.15 -0.24 -4.93 115.26 114.95 3cny n ASN 240 Ca 0.04 -2.34 0.00 0.00 -0.60 0.00 0.00 54.58 51.67 3cny n ASN 240 Cb 0.30 -0.55 0.00 0.00 -0.53 0.00 0.00 39.78 39.00 3cny n ASN 240 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3cny n GLY 241 N 1.22 -2.20 0.00 8.20 0.00 -1.02 -4.90 105.19 106.48 3cny n GLY 241 Ca 0.25 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.84 3cny n GLY 241 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3cny n PHE 243 N 0.10 0.00 -3.36 1.61 3.72 -1.26 -4.40 117.46 113.87 3cny n PHE 243 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 3cny n PHE 243 Cb 0.00 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.54 3cny n PHE 243 CO 0.00 0.00 0.00 -2.37 -0.05 0.00 0.00 176.76 174.34 3cny n THR 244 N 0.00 0.00 -3.50 4.37 5.66 -0.43 -4.77 114.28 115.60 3cny n THR 244 Ca 0.00 0.00 -0.26 0.00 -3.05 0.00 0.00 64.05 60.74 3cny n THR 244 Cb 0.00 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 68.75 3cny n THR 244 CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 175.07 172.70 3cny s VAL 245 N -2.60 5.12 0.24 1.08 -7.23 -1.26 -0.23 120.40 115.52 3cny s VAL 245 Ca 0.00 -0.29 -0.30 0.00 -1.81 0.00 0.00 61.98 59.58 3cny s VAL 245 Cb 0.00 -3.78 -0.15 0.00 0.56 0.00 0.00 36.38 33.02 3cny s VAL 245 CO 0.00 -0.34 1.09 -2.65 -0.31 0.00 0.00 175.10 172.89 3cny n PRO 246 N -1.11 1.31 0.00 4.82 -0.02 -1.26 -1.39 135.00 137.35 3cny n PRO 246 Ca -0.04 0.46 0.00 0.00 -2.02 0.00 0.00 63.50 61.90 3cny n PRO 246 Cb 0.55 -1.89 0.00 0.00 -0.02 0.00 0.00 33.50 32.13 3cny n PRO 246 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3cny n GLY 247 N 1.60 1.71 0.00 -1.23 0.00 -1.26 -3.45 105.19 102.57 3cny n GLY 247 Ca 0.12 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.16 3cny n GLY 247 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3cny n ASP 248 N 0.00 1.90 0.00 1.61 2.03 -0.49 -4.99 116.55 116.61 3cny n ASP 248 Ca 0.00 -0.33 0.00 0.00 0.52 0.00 0.00 54.79 54.98 3cny n ASP 248 Cb 0.00 1.10 0.00 0.00 -0.72 0.00 0.00 41.12 41.50 3cny n ASP 248 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3cny n GLY 249 N 1.62 5.30 0.14 0.27 0.00 -1.22 -4.92 105.19 106.38 3cny n GLY 249 Ca 0.00 -1.77 0.06 0.00 0.00 0.00 0.00 46.02 44.31 3cny n GLY 249 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3cny n ASP 250 N 0.00 0.98 -4.77 1.61 8.00 0.19 -4.94 116.55 117.63 3cny n ASP 250 Ca 0.00 -0.99 -0.40 0.00 0.71 0.00 0.00 54.79 54.12 3cny n ASP 250 Cb 0.00 0.75 -0.06 0.00 -0.02 0.00 0.00 41.12 41.79 3cny n ASP 250 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3cny s LEU 251 N -2.22 4.57 -0.41 0.64 1.43 -1.26 -5.01 118.68 116.42 3cny s LEU 251 Ca 0.08 1.62 -0.22 0.00 -1.03 0.00 0.00 54.13 54.57 3cny s LEU 251 Cb 0.10 -3.29 0.02 0.00 0.03 0.00 0.00 46.19 43.04 3cny s LEU 251 CO 0.42 0.16 0.75 -0.62 0.23 0.00 0.00 176.35 177.29 3cny s ASP 252 N -0.90 6.45 0.00 2.29 -1.08 -1.26 -4.82 116.67 117.35 3cny s ASP 252 Ca 0.37 0.06 0.28 0.00 -0.52 0.00 0.00 52.55 52.74 3cny s ASP 252 Cb -0.23 -2.37 1.15 0.00 -1.46 0.00 0.00 42.92 40.01 3cny s ASP 252 CO 0.26 -0.79 1.85 0.49 0.52 0.00 0.00 175.17 177.50 3cny n PHE 253 N 6.47 0.00 -0.14 -5.34 3.01 -1.26 -4.21 117.46 115.99 3cny n PHE 253 Ca 0.02 0.00 -0.10 0.00 1.01 0.00 0.00 57.45 58.38 3cny n PHE 253 Cb 0.48 -0.37 -0.01 0.00 -0.01 0.00 0.00 39.48 39.57 3cny n PHE 253 CO 0.00 0.00 0.00 -0.22 1.01 0.00 0.00 176.76 177.55 3cny h LYS 254 N 0.09 0.66 -0.05 -1.08 1.63 -1.91 -1.43 116.57 114.47 3cny h LYS 254 Ca 0.00 -0.16 -0.00 0.00 -0.85 0.00 0.00 60.65 59.64 3cny h LYS 254 Cb 0.44 -0.08 -0.00 0.00 -0.60 0.00 0.00 32.23 31.99 3cny h LYS 254 CO 0.00 0.68 0.01 -1.35 -3.45 0.00 0.00 179.45 175.34 3cny h PRO 255 N 0.52 0.06 0.04 1.90 0.11 -1.99 0.75 132.00 133.39 3cny h PRO 255 Ca 0.13 -0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.23 3cny h PRO 255 Cb 0.32 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.42 3cny h PRO 255 CO 0.00 0.06 -0.02 0.28 -0.21 0.00 0.00 178.00 178.11 3cny h VAL 256 N 0.07 1.29 -0.17 3.15 2.07 -1.70 -1.32 116.25 119.64 3cny h VAL 256 Ca 0.02 -1.12 0.03 0.00 0.82 0.00 0.00 66.70 66.45 3cny h VAL 256 Cb 0.02 2.03 -0.03 0.00 -1.52 0.00 0.00 31.29 31.79 3cny h VAL 256 CO -0.00 0.28 -0.04 0.22 0.02 0.00 0.00 177.57 178.05 3cny h TYR 257 N -0.55 -0.09 -1.00 1.57 3.20 -1.03 -1.30 116.97 117.77 3cny h TYR 257 Ca -0.01 0.02 0.02 0.00 3.14 0.00 0.00 58.73 61.90 3cny h TYR 257 Cb 0.50 0.06 -0.05 0.00 1.54 0.00 0.00 36.73 38.78 3cny h TYR 257 CO 0.09 -0.07 0.66 -0.44 -1.64 0.00 0.00 178.16 176.76 3cny h ASP 258 N 0.00 1.13 -0.30 -2.11 3.32 -0.90 -0.38 116.42 117.18 3cny h ASP 258 Ca 0.08 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.10 3cny h ASP 258 Cb 0.12 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.38 3cny h ASP 258 CO -0.17 0.81 0.15 0.50 -1.72 0.00 0.00 179.24 178.80 3cny h LYS 259 N 1.33 0.43 -0.38 3.56 1.63 -0.90 -0.50 116.57 121.74 3cny h LYS 259 Ca 0.37 -0.06 0.00 0.00 -0.85 0.00 0.00 60.65 60.11 3cny h LYS 259 Cb -0.11 -0.08 -0.02 0.00 -0.60 0.00 0.00 32.23 31.42 3cny h LYS 259 CO -0.09 0.41 0.25 -0.07 -3.45 0.00 0.00 179.45 176.49 3cny h LEU 260 N 0.35 0.44 -0.16 5.20 3.38 -0.70 -1.76 115.31 122.06 3cny h LEU 260 Ca 0.10 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 3cny h LEU 260 Cb 0.12 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 3cny h LEU 260 CO -0.01 0.33 0.10 0.40 0.09 0.00 0.00 178.44 179.35 3cny h ILE 261 N 0.51 1.07 -0.18 1.22 1.08 -0.94 -0.99 117.51 119.28 3cny h ILE 261 Ca 0.14 -0.17 0.05 0.00 -0.39 0.00 0.00 64.86 64.50 3cny h ILE 261 Cb -0.04 0.89 -0.01 0.00 -3.07 0.00 0.00 36.82 34.59 3cny h ILE 261 CO -0.03 0.06 0.16 0.00 -0.69 0.00 0.00 178.15 177.66 3cny h ALA 262 N 1.02 1.94 -0.59 1.87 0.00 -0.94 0.11 119.26 122.67 3cny h ALA 262 Ca 0.06 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3cny h ALA 262 Cb 0.02 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3cny h ALA 262 CO -0.01 -0.26 0.00 0.09 0.00 0.00 0.00 179.25 179.07 3cny n ASN 263 N -4.07 4.86 -3.86 0.00 3.02 -0.68 -4.95 115.26 109.57 3cny n ASN 263 Ca 0.01 -2.59 -0.30 0.00 -0.03 0.00 0.00 54.58 51.68 3cny n ASN 263 Cb 0.29 -0.59 0.02 0.00 -0.61 0.00 0.00 39.78 38.90 3cny n ASN 263 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3cny n ASN 264 N 0.85 -4.76 -4.69 6.41 4.13 0.38 -4.90 115.26 112.68 3cny n ASN 264 Ca 0.25 -0.74 -0.43 0.00 1.68 0.00 0.00 54.58 55.33 3cny n ASN 264 Cb 0.95 -3.81 -0.03 0.00 -1.54 0.00 0.00 39.78 35.34 3cny n ASN 264 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3cny n TYR 265 N -4.62 2.58 -4.08 3.10 9.36 -0.44 -4.99 117.16 118.07 3cny n TYR 265 Ca 0.04 0.01 -0.32 0.00 3.32 0.00 0.00 57.90 60.95 3cny n TYR 265 Cb 0.53 -2.67 -0.16 0.00 -0.63 0.00 0.00 39.34 36.41 3cny n TYR 265 CO 0.00 0.00 0.00 0.15 0.22 0.00 0.00 176.86 177.23 3cny s LYS 266 N 1.88 2.61 0.00 2.98 1.02 -1.26 -4.48 119.74 122.49 3cny s LYS 266 Ca 0.80 -0.98 0.00 0.00 0.02 0.00 0.00 55.97 55.80 3cny s LYS 266 Cb -0.55 -2.63 0.00 0.00 -0.52 0.00 0.00 37.83 34.13 3cny s LYS 266 CO 0.37 -0.35 0.00 0.41 -0.92 0.00 0.00 175.35 174.85 3cny n GLY 267 N 4.57 -0.13 3.85 -3.33 0.00 -0.95 -4.99 105.19 104.22 3cny n GLY 267 Ca -0.18 -1.22 -0.35 0.00 0.00 0.00 0.00 46.02 44.27 3cny n GLY 267 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3cny s TRP 268 N -3.27 3.49 -0.22 1.61 0.52 -1.26 -0.67 118.94 119.14 3cny s TRP 268 Ca 0.00 0.38 -0.04 0.00 0.02 0.00 0.00 56.10 56.46 3cny s TRP 268 Cb 0.00 -1.85 -0.01 0.00 -1.15 0.00 0.00 33.47 30.46 3cny s TRP 268 CO 0.00 0.65 -0.04 0.42 0.02 0.00 0.00 176.95 178.01 3cny s ILE 269 N -1.15 3.40 -0.22 2.03 1.01 0.33 -1.95 121.20 124.66 3cny s ILE 269 Ca 0.21 -0.51 -0.02 0.00 0.00 0.00 0.00 60.65 60.33 3cny s ILE 269 Cb -0.12 -2.56 0.01 0.00 0.01 0.00 0.00 42.46 39.80 3cny s ILE 269 CO 0.11 0.40 -0.09 -0.69 0.00 0.00 0.00 174.94 174.67 3cny s VAL 270 N 1.48 2.85 0.18 2.92 1.01 0.44 -1.11 120.40 128.17 3cny s VAL 270 Ca 0.06 -0.79 -0.31 0.00 0.00 0.00 0.00 61.98 60.94 3cny s VAL 270 Cb -0.14 -2.33 -0.09 0.00 0.00 0.00 0.00 36.38 33.82 3cny s VAL 270 CO -0.03 0.38 1.39 -0.69 0.00 0.00 0.00 175.10 176.15 3cny s VAL 271 N 1.38 3.06 -0.14 2.92 1.01 -0.22 -0.63 120.40 127.77 3cny s VAL 271 Ca 0.04 0.83 -0.05 0.00 0.00 0.00 0.00 61.98 62.80 3cny s VAL 271 Cb -0.15 -3.53 0.07 0.00 0.00 0.00 0.00 36.38 32.77 3cny s VAL 271 CO -0.06 0.10 0.28 -0.70 0.00 0.00 0.00 175.10 174.72 3cny s GLU 272 N 0.30 0.17 -0.25 2.72 2.12 -0.48 -0.16 118.70 123.12 3cny s GLU 272 Ca 0.61 0.77 -0.02 0.00 0.36 0.00 0.00 54.97 56.69 3cny s GLU 272 Cb -0.38 0.00 0.14 0.00 0.26 0.00 0.00 34.13 34.14 3cny s GLU 272 CO 0.36 -0.28 0.38 0.00 -0.54 0.00 0.00 175.26 175.19 3cny s ALA 273 N 2.38 -1.09 -0.26 6.30 0.00 -1.26 -4.18 121.76 123.65 3cny s ALA 273 Ca 0.00 0.80 -0.29 0.00 0.00 0.00 0.00 51.96 52.47 3cny s ALA 273 Cb -0.12 -1.73 -0.01 0.00 0.00 0.00 0.00 23.12 21.26 3cny s ALA 273 CO -0.09 -1.34 1.39 -1.83 0.00 0.00 0.00 175.76 173.89 3cny s GLU 274 N 2.54 3.93 0.21 0.00 1.03 -1.26 -3.39 118.70 121.77 3cny s GLU 274 Ca 0.12 1.43 -0.06 0.00 0.03 0.00 0.00 54.97 56.49 3cny s GLU 274 Cb -0.15 -3.91 -0.02 0.00 -0.80 0.00 0.00 34.13 29.25 3cny s GLU 274 CO -0.18 -1.11 0.27 -0.65 -1.33 0.00 0.00 175.26 172.27 3cny s GLN 275 N 4.21 1.32 -0.35 -4.83 -0.21 -1.26 -4.66 119.66 113.88 3cny s GLN 275 Ca 0.60 -1.45 -0.24 0.00 0.02 0.00 0.00 55.36 54.29 3cny s GLN 275 Cb -0.20 0.35 0.01 0.00 1.00 0.00 0.00 33.01 34.18 3cny s GLN 275 CO 0.24 -0.49 0.85 0.34 -2.12 0.00 0.00 175.29 174.11 3cny s ASP 276 N -3.09 6.63 0.34 5.90 -1.08 -1.26 -4.83 116.67 119.28 3cny s ASP 276 Ca 0.31 0.51 0.26 0.00 -0.52 0.00 0.00 52.55 53.11 3cny s ASP 276 Cb 0.04 -2.43 1.12 0.00 -1.46 0.00 0.00 42.92 40.19 3cny s ASP 276 CO 0.10 -0.76 1.79 1.55 0.52 0.00 0.00 175.17 178.36 3cny h PRO 277 N 8.41 0.00 0.00 4.34 0.13 -1.76 0.75 132.00 143.86 3cny h PRO 277 Ca -0.24 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 3cny h PRO 277 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 3cny h PRO 277 CO 0.94 0.00 0.00 0.66 -0.23 0.00 0.00 178.00 179.37 3cny h SER 278 N 0.00 0.00 0.00 1.44 4.64 -1.93 -3.25 113.55 114.45 3cny h SER 278 Ca 0.00 0.00 -0.27 0.00 -0.47 0.00 0.00 61.79 61.05 3cny h SER 278 Cb 0.36 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.41 3cny h SER 278 CO 0.00 0.00 -2.02 0.29 -0.87 0.00 0.00 176.83 174.23 3cny n LYS 279 N -2.97 0.44 -3.84 4.77 5.02 0.14 -4.83 118.16 116.89 3cny n LYS 279 Ca -0.00 0.11 -0.34 0.00 -2.02 0.00 0.00 58.31 56.05 3cny n LYS 279 Cb 0.24 -1.35 -0.12 0.00 -0.02 0.00 0.00 35.03 33.78 3cny n LYS 279 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3cny s ALA 280 N -2.36 3.16 0.11 7.82 0.00 -0.50 -5.06 121.76 124.93 3cny s ALA 280 Ca -0.24 -2.69 -0.31 0.00 0.00 0.00 0.00 51.96 48.72 3cny s ALA 280 Cb 0.06 -2.31 -0.10 0.00 0.00 0.00 0.00 23.12 20.77 3cny s ALA 280 CO 0.41 -1.83 1.76 1.21 0.00 0.00 0.00 175.76 177.31 3cny s ASN 281 N 1.28 6.48 0.29 0.00 3.84 -1.23 -4.27 114.94 121.34 3cny s ASN 281 Ca 0.11 2.68 0.02 0.00 0.21 0.00 0.00 52.86 55.88 3cny s ASN 281 Cb -0.22 -2.57 0.45 0.00 -0.55 0.00 0.00 41.25 38.37 3cny s ASN 281 CO -0.05 -0.96 1.78 1.55 -2.79 0.00 0.00 177.10 176.63 3cny h PRO 282 N 8.34 0.58 -0.14 0.43 0.13 -1.80 -2.59 132.00 136.96 3cny h PRO 282 Ca -0.45 -0.17 -0.02 0.00 -0.87 0.00 0.00 66.00 64.49 3cny h PRO 282 Cb 1.21 -0.06 -0.01 0.00 0.13 0.00 0.00 31.00 32.27 3cny h PRO 282 CO 0.94 0.68 0.00 1.25 -0.23 0.00 0.00 178.00 180.65 3cny h LEU 283 N 0.54 0.24 -1.55 1.56 5.85 -1.94 -1.64 115.31 118.38 3cny h LEU 283 Ca 0.10 -0.30 0.00 0.00 0.84 0.00 0.00 57.88 58.52 3cny h LEU 283 Cb 0.50 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.46 3cny h LEU 283 CO 0.03 0.49 0.00 1.21 -0.34 0.00 0.00 178.44 179.83 3cny n GLU 284 N -4.77 0.00 0.00 1.25 2.13 -0.98 -0.65 120.64 117.62 3cny n GLU 284 Ca -0.05 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.77 3cny n GLU 284 Cb 0.21 -1.12 0.00 0.00 0.27 0.00 0.00 31.44 30.79 3cny n GLU 284 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3cny n ALA 286 N 0.66 0.00 -0.19 4.31 0.00 -0.62 -1.00 120.51 123.67 3cny n ALA 286 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 3cny n ALA 286 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.46 3cny n ALA 286 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 3cny h GLN 287 N 0.00 1.02 -0.18 0.00 4.20 -1.16 -0.61 115.11 118.39 3cny h GLN 287 Ca 0.00 -0.36 0.01 0.00 0.06 0.00 0.00 58.65 58.36 3cny h GLN 287 Cb 0.00 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 27.69 3cny h GLN 287 CO 0.00 1.05 0.08 0.82 -0.67 0.00 0.00 178.83 180.10 3cny h ILE 288 N 0.90 0.99 -0.25 2.54 2.04 -1.33 -1.35 117.51 121.05 3cny h ILE 288 Ca 0.15 -0.06 0.02 0.00 1.00 0.00 0.00 64.86 65.97 3cny h ILE 288 Cb 0.63 0.79 -0.02 0.00 -0.74 0.00 0.00 36.82 37.48 3cny h ILE 288 CO 0.04 0.03 0.11 0.00 0.00 0.00 0.00 178.15 178.34 3cny h ALA 289 N 1.10 0.30 -0.53 1.87 0.00 -1.55 -1.80 119.26 118.65 3cny h ALA 289 Ca 0.07 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 3cny h ALA 289 Cb 0.02 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 3cny h ALA 289 CO -0.06 -0.29 0.20 1.25 0.00 0.00 0.00 179.25 180.35 3cny h HIS 290 N 0.24 0.81 -0.64 0.00 -0.00 -0.91 -0.68 115.15 113.98 3cny h HIS 290 Ca 0.11 -0.07 -0.05 0.00 -0.00 0.00 0.00 60.37 60.36 3cny h HIS 290 Cb 0.05 -0.24 -0.03 0.00 -0.00 0.00 0.00 27.41 27.19 3cny h HIS 290 CO -0.11 0.68 0.21 0.00 -0.00 0.00 0.00 177.93 178.71 3cny h ARG 291 N 0.71 0.96 -0.59 5.26 3.08 -1.16 -1.13 114.38 121.52 3cny h ARG 291 Ca 0.17 -0.18 -0.10 0.00 0.07 0.00 0.00 59.98 59.94 3cny h ARG 291 Cb 0.22 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.10 3cny h ARG 291 CO -0.01 0.82 -0.02 -0.92 -1.07 0.00 0.00 179.97 178.76 3cny h TYR 292 N 0.93 1.14 -0.40 3.04 3.20 -0.89 0.14 116.97 124.13 3cny h TYR 292 Ca 0.21 -0.20 -0.04 0.00 3.14 0.00 0.00 58.73 61.83 3cny h TYR 292 Cb 0.25 -0.30 -0.02 0.00 1.54 0.00 0.00 36.73 38.21 3cny h TYR 292 CO 0.02 1.02 0.08 0.82 -1.64 0.00 0.00 178.16 178.46 3cny h ILE 293 N 0.95 1.23 -0.17 1.81 2.04 -0.84 0.31 117.51 122.84 3cny h ILE 293 Ca 0.16 -0.82 -0.04 0.00 1.00 0.00 0.00 64.86 65.17 3cny h ILE 293 Cb 0.58 1.00 -0.01 0.00 -0.74 0.00 0.00 36.82 37.65 3cny h ILE 293 CO 0.03 0.28 -0.03 0.11 0.00 0.00 0.00 178.15 178.55 3cny h LYS 294 N 0.51 0.33 0.06 2.37 1.79 -1.00 -1.11 116.57 119.51 3cny h LYS 294 Ca 0.12 -0.12 -0.26 0.00 -2.18 0.00 0.00 60.65 58.21 3cny h LYS 294 Cb 0.34 -0.02 0.01 0.00 -1.58 0.00 0.00 32.23 30.98 3cny h LYS 294 CO 0.00 0.58 -1.10 0.37 -1.08 0.00 0.00 179.45 178.22 3cny h GLN 295 N 0.05 0.49 0.00 3.15 5.75 -0.59 -3.35 115.11 120.61 3cny h GLN 295 Ca 0.05 -0.60 -0.13 0.00 -0.15 0.00 0.00 58.65 57.81 3cny h GLN 295 Cb 0.45 0.19 -0.03 0.00 1.07 0.00 0.00 27.48 29.17 3cny h GLN 295 CO 0.01 1.24 -1.90 1.58 -2.65 0.00 0.00 178.83 177.11 3cny n HIS 296 N -3.73 0.00 -0.05 3.99 -0.00 0.11 -4.81 115.22 110.72 3cny n HIS 296 Ca -0.10 0.00 -0.12 0.00 -0.00 0.00 0.00 57.72 57.50 3cny n HIS 296 Cb 0.92 -0.56 -0.04 0.00 -0.00 0.00 0.00 29.99 30.31 3cny n HIS 296 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 3cny n LEU 297 N -2.31 1.02 -4.74 0.27 4.77 -0.74 -4.83 117.00 110.43 3cny n LEU 297 Ca -0.13 0.17 -0.41 0.00 -0.03 0.00 0.00 56.01 55.61 3cny n LEU 297 Cb 0.70 -0.40 -0.05 0.00 -2.33 0.00 0.00 43.42 41.34 3cny n LEU 297 CO 0.34 0.11 0.73 -0.63 -1.33 0.00 0.00 177.39 176.61 3cny s ILE 298 N -2.27 4.02 -0.16 -0.08 -1.09 -0.50 -4.97 121.20 116.15 3cny s ILE 298 Ca -0.17 1.83 0.07 0.00 -2.23 0.00 0.00 60.65 60.15 3cny s ILE 298 Cb 0.06 -4.17 -0.15 0.00 -1.58 0.00 0.00 42.46 36.63 3cny s ILE 298 CO 0.22 0.35 -0.05 -0.62 -1.23 0.00 0.00 174.94 173.62 3cny n GLU 299 N 2.08 1.13 0.00 2.79 1.02 -1.26 -4.82 120.64 121.58 3cny n GLU 299 Ca 0.01 0.04 0.13 0.00 -0.02 0.00 0.00 57.16 57.33 3cny n GLU 299 Cb 0.47 -1.36 0.40 0.00 -0.02 0.00 0.00 31.44 30.93 3cny n GLU 299 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40