#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sou s LEU 2 N 0.00 5.58 0.12 4.03 1.02 -1.26 -4.80 118.68 123.37 1sou s LEU 2 Ca 0.00 -2.71 -0.07 0.00 0.02 0.00 0.00 54.13 51.37 1sou s LEU 2 Cb 0.00 -2.33 -0.12 0.00 0.02 0.00 0.00 46.19 43.76 1sou s LEU 2 CO 0.00 -0.75 1.29 0.11 0.02 0.00 0.00 176.35 177.02 1sou h LYS 3 N 7.78 0.53 0.00 1.70 1.57 -1.97 -3.05 116.57 123.13 1sou h LYS 3 Ca 0.20 -0.54 -0.06 0.00 -1.87 0.00 0.00 60.65 58.39 1sou h LYS 3 Cb 0.96 0.14 -0.01 0.00 0.08 0.00 0.00 32.23 33.40 1sou h LYS 3 CO 1.07 1.17 -0.27 0.77 -0.57 0.00 0.00 179.45 181.61 1sou h SER 4 N 0.32 0.00 -0.15 0.86 0.02 -1.87 0.78 113.55 113.51 1sou h SER 4 Ca -0.08 0.00 -0.18 0.00 -0.84 0.00 0.00 61.79 60.68 1sou h SER 4 Cb 1.56 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 64.09 1sou h SER 4 CO 0.17 0.27 -0.58 -0.08 -1.14 0.00 0.00 176.83 175.47 1sou h GLU 5 N 0.00 0.75 -0.33 3.45 4.57 -1.94 0.26 114.58 121.34 1sou h GLU 5 Ca -0.00 -0.49 -0.18 0.00 -1.18 0.00 0.00 59.36 57.51 1sou h GLU 5 Cb 0.71 0.06 -0.00 0.00 -0.16 0.00 0.00 28.75 29.37 1sou h GLU 5 CO 0.03 1.12 -0.49 1.25 -1.18 0.00 0.00 179.01 179.74 1sou h LEU 6 N 0.57 0.99 -0.57 1.64 5.85 -1.36 -0.30 115.31 122.13 1sou h LEU 6 Ca 0.00 -0.51 0.00 0.00 0.84 0.00 0.00 57.88 58.22 1sou h LEU 6 Cb 1.17 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.89 1sou h LEU 6 CO 0.12 1.31 0.37 -0.09 -0.34 0.00 0.00 178.44 179.81 1sou h ARG 7 N 0.71 0.75 -0.21 1.25 2.43 -0.75 -1.68 114.38 116.87 1sou h ARG 7 Ca 0.03 -0.05 -0.06 0.00 -0.81 0.00 0.00 59.98 59.09 1sou h ARG 7 Cb 1.10 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 30.46 1sou h ARG 7 CO 0.11 0.50 -0.12 -0.22 -1.51 0.00 0.00 179.97 178.74 1sou h LYS 8 N 0.77 0.35 -0.23 0.20 3.64 -0.36 0.40 116.57 121.34 1sou h LYS 8 Ca 0.21 -0.09 -0.01 0.00 -1.27 0.00 0.00 60.65 59.49 1sou h LYS 8 Cb -0.08 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.69 1sou h LYS 8 CO -0.04 0.47 0.10 -0.22 -2.27 0.00 0.00 179.45 177.49 1sou h LYS 9 N 0.33 0.33 -0.09 1.90 3.64 -0.44 -1.02 116.57 121.21 1sou h LYS 9 Ca 0.06 -0.05 -0.15 0.00 -1.27 0.00 0.00 60.65 59.24 1sou h LYS 9 Cb 0.42 -0.06 0.01 0.00 -0.41 0.00 0.00 32.23 32.19 1sou h LYS 9 CO 0.02 0.36 -0.53 0.28 -2.27 0.00 0.00 179.45 177.31 1sou h VAL 10 N 0.22 1.37 -0.48 2.00 2.07 -1.00 -3.22 116.25 117.21 1sou h VAL 10 Ca 0.08 -1.86 0.06 0.00 0.82 0.00 0.00 66.70 65.79 1sou h VAL 10 Cb 0.14 2.23 -0.03 0.00 -1.52 0.00 0.00 31.29 32.11 1sou h VAL 10 CO -0.01 0.56 0.32 0.25 0.02 0.00 0.00 177.57 178.71 1sou h LEU 11 N 0.12 0.37 -0.63 2.57 5.85 -0.16 0.14 115.31 123.57 1sou h LEU 11 Ca -0.04 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.68 1sou h LEU 11 Cb 1.18 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 42.10 1sou h LEU 11 CO 0.11 0.24 0.40 -0.74 -0.34 0.00 0.00 178.44 178.11 1sou h HIS 12 N 0.42 0.81 0.00 1.25 2.76 -1.19 -2.17 115.15 117.03 1sou h HIS 12 Ca 0.21 0.01 -0.10 0.00 -2.20 0.00 0.00 60.37 58.28 1sou h HIS 12 Cb 0.29 -0.27 -0.02 0.00 1.55 0.00 0.00 27.41 28.97 1sou h HIS 12 CO -0.00 0.53 -0.61 0.87 -1.30 0.00 0.00 177.93 177.42 1sou h LYS 13 N 0.85 0.00 0.06 5.26 1.57 -1.34 -2.70 116.57 120.27 1sou h LYS 13 Ca 0.23 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 59.02 1sou h LYS 13 Cb -0.06 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.23 1sou h LYS 13 CO -0.05 0.43 -0.12 -0.09 -0.57 0.00 0.00 179.45 179.05 1sou h ARG 14 N 0.00 -0.23 -0.18 3.15 2.43 -0.25 -2.28 114.38 117.03 1sou h ARG 14 Ca -0.03 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1sou h ARG 14 Cb 1.38 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.98 1sou h ARG 14 CO 0.06 -0.15 0.00 0.44 -1.51 0.00 0.00 179.97 178.81 1sou n ILE 15 N -5.24 0.22 0.24 1.20 -5.35 -0.87 -3.78 119.36 105.78 1sou n ILE 15 Ca -0.06 -0.38 0.12 0.00 -0.27 0.00 0.00 62.75 62.16 1sou n ILE 15 Cb 0.16 0.44 0.13 0.00 -1.74 0.00 0.00 39.64 38.64 1sou n ILE 15 CO 0.00 0.00 0.00 -1.13 -1.76 0.00 0.00 176.55 173.66 1sou h ASN 16 N 2.44 0.00 -3.09 7.28 -1.24 -1.06 -3.46 115.58 116.45 1sou h ASN 16 Ca 0.00 -0.02 -0.53 0.00 0.71 0.00 0.00 56.30 56.47 1sou h ASN 16 Cb 0.53 0.00 0.06 0.00 0.73 0.00 0.00 38.32 39.64 1sou h ASN 16 CO 0.00 0.01 0.86 -0.76 -1.29 0.00 0.00 177.43 176.25 1sou s LEU 17 N -5.66 4.37 0.60 0.34 1.43 -1.16 -4.97 118.68 113.64 1sou s LEU 17 Ca 0.05 2.73 -0.17 0.00 -1.03 0.00 0.00 54.13 55.71 1sou s LEU 17 Cb 0.08 -3.61 -0.03 0.00 0.03 0.00 0.00 46.19 42.66 1sou s LEU 17 CO 0.71 -0.82 1.10 -0.44 0.23 0.00 0.00 176.35 177.13 1sou s SER 18 N 0.77 5.46 0.22 2.29 0.01 -1.26 -4.79 113.70 116.39 1sou s SER 18 Ca 0.66 2.03 -0.08 0.00 1.31 0.00 0.00 55.95 59.86 1sou s SER 18 Cb -0.45 -2.56 0.27 0.00 0.21 0.00 0.00 66.02 63.50 1sou s SER 18 CO 0.39 -1.39 1.81 1.05 0.41 0.00 0.00 173.24 175.50 1sou h GLU 19 N 0.53 0.69 0.66 12.44 9.09 -1.98 0.14 114.58 136.16 1sou h GLU 19 Ca -0.48 -0.04 -0.03 0.00 0.05 0.00 0.00 59.36 58.86 1sou h GLU 19 Cb 1.25 -0.16 0.01 0.00 -1.65 0.00 0.00 28.75 28.20 1sou h GLU 19 CO 0.56 0.46 -0.32 1.49 0.05 0.00 0.00 179.01 181.25 1sou h GLU 20 N 0.72 -0.85 -0.52 1.06 4.57 -1.99 0.11 114.58 117.67 1sou h GLU 20 Ca 0.32 0.06 -0.01 0.00 -1.18 0.00 0.00 59.36 58.55 1sou h GLU 20 Cb 0.22 0.19 -0.02 0.00 -0.16 0.00 0.00 28.75 28.97 1sou h GLU 20 CO -0.19 -0.55 0.29 1.49 -1.18 0.00 0.00 179.01 178.86 1sou h GLU 21 N -0.93 0.73 -0.63 1.92 4.57 -1.90 -2.25 114.58 116.09 1sou h GLU 21 Ca -0.09 -0.08 -0.04 0.00 -1.18 0.00 0.00 59.36 57.97 1sou h GLU 21 Cb 0.69 -0.14 -0.03 0.00 -0.16 0.00 0.00 28.75 29.11 1sou h GLU 21 CO 0.15 0.56 0.24 -0.09 -1.18 0.00 0.00 179.01 178.69 1sou h ARG 22 N 0.70 0.95 -0.60 1.92 2.43 -0.65 -2.11 114.38 117.02 1sou h ARG 22 Ca 0.19 -0.18 -0.02 0.00 -0.81 0.00 0.00 59.98 59.16 1sou h ARG 22 Cb 0.04 -0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 29.41 1sou h ARG 22 CO -0.03 0.81 0.30 -0.09 -1.51 0.00 0.00 179.97 179.45 1sou h ARG 23 N 0.89 0.86 -0.85 0.20 9.65 -0.54 0.13 114.38 124.72 1sou h ARG 23 Ca 0.21 -0.12 -0.00 0.00 -1.10 0.00 0.00 59.98 58.97 1sou h ARG 23 Cb 0.22 -0.16 -0.04 0.00 -1.39 0.00 0.00 29.97 28.60 1sou h ARG 23 CO -0.02 0.68 0.51 0.00 2.80 0.00 0.00 179.97 183.95 1sou h ARG 24 N 0.82 1.14 -0.10 0.20 3.08 -1.08 0.13 114.38 118.57 1sou h ARG 24 Ca 0.21 -0.10 -0.10 0.00 0.07 0.00 0.00 59.98 60.06 1sou h ARG 24 Cb 0.09 -0.24 0.00 0.00 0.08 0.00 0.00 29.97 29.90 1sou h ARG 24 CO -0.03 0.80 -0.33 -0.07 -1.07 0.00 0.00 179.97 179.27 1sou h LEU 25 N 1.16 0.46 -1.28 3.04 3.38 -0.95 -3.18 115.31 117.94 1sou h LEU 25 Ca 0.30 -0.61 -0.03 0.00 0.09 0.00 0.00 57.88 57.63 1sou h LEU 25 Cb -0.05 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 1sou h LEU 25 CO -0.06 1.00 0.13 0.28 0.09 0.00 0.00 178.44 179.87 1sou h SER 26 N -0.04 0.56 -0.72 -0.43 0.02 -0.41 -2.19 113.55 110.34 1sou h SER 26 Ca -0.01 -0.08 0.07 0.00 -0.84 0.00 0.00 61.79 60.93 1sou h SER 26 Cb 0.96 -0.15 -0.06 0.00 0.14 0.00 0.00 62.40 63.29 1sou h SER 26 CO 0.07 0.55 0.40 -0.08 -1.14 0.00 0.00 176.83 176.63 1sou h GLU 27 N 0.61 0.71 -0.56 3.45 4.57 -0.75 0.12 114.58 122.72 1sou h GLU 27 Ca 0.14 -0.04 -0.10 0.00 -1.18 0.00 0.00 59.36 58.18 1sou h GLU 27 Cb 0.19 -0.16 -0.02 0.00 -0.16 0.00 0.00 28.75 28.60 1sou h GLU 27 CO -0.01 0.47 -0.04 0.87 -1.18 0.00 0.00 179.01 179.12 1sou h LYS 28 N 0.73 1.01 -0.16 1.92 1.57 -1.40 -0.65 116.57 119.59 1sou h LYS 28 Ca 0.33 -0.33 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 1sou h LYS 28 Cb 0.23 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 1sou h LYS 28 CO -0.20 1.01 0.03 0.28 -0.57 0.00 0.00 179.45 180.00 1sou h VAL 29 N 0.91 1.22 -0.83 0.50 2.07 -0.82 0.13 116.25 119.43 1sou h VAL 29 Ca 0.16 -0.70 -0.04 0.00 0.82 0.00 0.00 66.70 66.94 1sou h VAL 29 Cb 0.58 1.38 -0.04 0.00 -1.52 0.00 0.00 31.29 31.69 1sou h VAL 29 CO 0.04 0.21 0.37 0.40 0.02 0.00 0.00 177.57 178.60 1sou h ILE 30 N 0.05 1.26 -0.43 4.57 2.04 -0.75 0.84 117.51 125.08 1sou h ILE 30 Ca 0.05 -0.78 -0.07 0.00 1.00 0.00 0.00 64.86 65.06 1sou h ILE 30 Cb 0.29 0.23 -0.02 0.00 -0.74 0.00 0.00 36.82 36.58 1sou h ILE 30 CO 0.00 0.33 -0.00 -1.28 0.00 0.00 0.00 178.15 177.20 1sou h SER 31 N 1.20 0.67 -0.24 1.72 0.87 -0.91 0.13 113.55 116.99 1sou h SER 31 Ca 0.28 -0.15 -0.09 0.00 -1.23 0.00 0.00 61.79 60.60 1sou h SER 31 Cb 0.16 -0.18 -0.00 0.00 -0.44 0.00 0.00 62.40 61.94 1sou h SER 31 CO -0.03 0.74 -0.19 -1.13 -0.53 0.00 0.00 176.83 175.69 1sou h ASN 32 N 0.66 0.58 -0.53 6.23 -1.24 0.00 -0.30 115.58 120.98 1sou h ASN 32 Ca 0.13 -0.45 -0.08 0.00 0.71 0.00 0.00 56.30 56.61 1sou h ASN 32 Cb 0.41 -0.16 -0.02 0.00 0.73 0.00 0.00 38.32 39.28 1sou h ASN 32 CO 0.02 0.91 0.03 0.25 -1.29 0.00 0.00 177.43 177.34 1sou h LEU 33 N 0.25 0.92 -1.51 0.34 6.46 -0.61 -0.61 115.31 120.54 1sou h LEU 33 Ca 0.04 -0.23 -0.05 0.00 -0.12 0.00 0.00 57.88 57.52 1sou h LEU 33 Cb 0.73 -0.25 -0.01 0.00 -0.73 0.00 0.00 40.66 40.41 1sou h LEU 33 CO 0.05 0.96 -0.23 0.11 -0.62 0.00 0.00 178.44 178.71 1sou h LYS 34 N 0.89 0.00 0.00 1.25 1.79 -0.62 -2.23 116.57 117.64 1sou h LYS 34 Ca 0.17 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.64 1sou h LYS 34 Cb 0.48 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.13 1sou h LYS 34 CO 0.02 0.23 -0.32 1.03 -1.08 0.00 0.00 179.45 179.34 1sou h SER 35 N 0.00 0.00 -2.67 0.86 0.87 -0.09 -3.45 113.55 109.08 1sou h SER 35 Ca -0.00 -0.06 -0.57 0.00 -1.23 0.00 0.00 61.79 59.92 1sou h SER 35 Cb 0.53 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.47 1sou h SER 35 CO 0.03 0.03 1.22 -0.22 -0.53 0.00 0.00 176.83 177.36 1sou s LEU 36 N -4.96 3.70 0.51 2.23 0.20 -0.33 -4.87 118.68 115.16 1sou s LEU 36 Ca 0.07 1.52 0.26 0.00 0.69 0.00 0.00 54.13 56.66 1sou s LEU 36 Cb 0.10 -3.53 1.39 0.00 -0.43 0.00 0.00 46.19 43.73 1sou s LEU 36 CO 0.68 -1.51 2.06 1.55 -0.29 0.00 0.00 176.35 178.84 1sou h PRO 37 N 11.99 0.00 0.00 0.98 0.13 -1.86 -2.30 132.00 140.93 1sou h PRO 37 Ca -0.35 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.72 1sou h PRO 37 Cb 1.17 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 1sou h PRO 37 CO 1.01 0.13 -0.28 0.93 -0.23 0.00 0.00 178.00 179.56 1sou h GLU 38 N 0.00 0.00 -0.60 0.86 4.39 -1.94 -2.14 114.58 115.15 1sou h GLU 38 Ca -0.00 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.66 1sou h GLU 38 Cb 0.34 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.96 1sou h GLU 38 CO 0.02 0.28 0.24 0.35 -1.16 0.00 0.00 179.01 178.74 1sou h PHE 39 N 0.00 0.91 -0.00 4.33 3.57 -1.71 -1.29 116.94 122.74 1sou h PHE 39 Ca -0.00 -0.07 0.00 0.00 3.53 0.00 0.00 57.97 61.43 1sou h PHE 39 Cb 0.84 -0.27 0.00 0.00 2.79 0.00 0.00 35.95 39.30 1sou h PHE 39 CO 0.00 0.73 -0.06 1.63 -2.23 0.00 0.00 178.31 178.38 1sou n LYS 40 N -4.46 0.88 0.04 1.11 5.02 -1.03 -2.94 118.16 116.78 1sou n LYS 40 Ca 0.03 -0.26 -0.14 0.00 -2.02 0.00 0.00 58.31 55.93 1sou n LYS 40 Cb 0.17 -1.49 -0.14 0.00 -0.02 0.00 0.00 35.03 33.55 1sou n LYS 40 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 1sou h LYS 41 N 0.64 0.15 -7.02 1.97 3.64 -0.65 -3.46 116.57 111.84 1sou h LYS 41 Ca 0.00 -0.26 -0.47 0.00 -1.27 0.00 0.00 60.65 58.65 1sou h LYS 41 Cb 0.29 0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 32.20 1sou h LYS 41 CO 0.00 0.96 0.28 -1.54 -2.27 0.00 0.00 179.45 176.88 1sou s SER 42 N -6.74 6.72 -0.11 4.20 1.04 -0.58 -5.00 113.70 113.22 1sou s SER 42 Ca -0.07 1.49 0.01 0.00 0.48 0.00 0.00 55.95 57.85 1sou s SER 42 Cb 0.08 -2.47 -0.07 0.00 0.10 0.00 0.00 66.02 63.66 1sou s SER 42 CO 0.84 -0.43 -0.10 1.17 0.98 0.00 0.00 173.24 175.69 1sou n LYS 43 N -1.08 0.28 -3.09 4.02 3.00 -1.26 -4.92 118.16 115.11 1sou n LYS 43 Ca 0.06 0.07 -0.43 0.00 -0.00 0.00 0.00 58.31 58.00 1sou n LYS 43 Cb 0.54 -1.21 -0.06 0.00 0.00 0.00 0.00 35.03 34.30 1sou n LYS 43 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 1sou s LYS 44 N -2.22 3.22 -0.24 1.64 -0.14 -1.26 -2.52 119.74 118.22 1sou s LYS 44 Ca -0.15 -0.58 -0.00 0.00 -1.36 0.00 0.00 55.97 53.88 1sou s LYS 44 Cb 0.04 -4.03 0.03 0.00 -1.68 0.00 0.00 37.83 32.19 1sou s LYS 44 CO 0.25 -1.17 -0.10 0.08 -0.76 0.00 0.00 175.35 173.65 1sou s VAL 45 N 2.92 2.54 -0.15 3.17 1.01 -1.01 -1.02 120.40 127.85 1sou s VAL 45 Ca 0.21 -1.15 -0.06 0.00 0.00 0.00 0.00 61.98 60.98 1sou s VAL 45 Cb -0.16 -2.29 -0.04 0.00 0.00 0.00 0.00 36.38 33.89 1sou s VAL 45 CO 0.16 0.22 0.05 0.00 0.00 0.00 0.00 175.10 175.53 1sou s ALA 46 N 1.27 3.42 -0.10 5.51 0.00 0.48 -0.58 121.76 131.75 1sou s ALA 46 Ca -0.01 -0.75 0.03 0.00 0.00 0.00 0.00 51.96 51.24 1sou s ALA 46 Cb -0.17 -1.82 0.01 0.00 0.00 0.00 0.00 23.12 21.14 1sou s ALA 46 CO -0.06 0.31 -0.20 -0.51 0.00 0.00 0.00 175.76 175.30 1sou s LEU 47 N -0.04 1.96 -0.45 0.00 1.02 -0.95 -1.30 118.68 118.91 1sou s LEU 47 Ca 0.06 -0.50 -0.23 0.00 0.02 0.00 0.00 54.13 53.48 1sou s LEU 47 Cb -0.12 -1.26 0.03 0.00 0.02 0.00 0.00 46.19 44.86 1sou s LEU 47 CO 0.01 0.11 0.81 -0.47 0.02 0.00 0.00 176.35 176.83 1sou s TYR 48 N 0.52 2.98 -0.22 0.29 6.14 -0.49 -4.74 117.35 121.83 1sou s TYR 48 Ca -0.16 0.18 -0.35 0.00 0.64 0.00 0.00 57.07 57.38 1sou s TYR 48 Cb -0.17 -3.71 -0.12 0.00 0.42 0.00 0.00 41.96 38.38 1sou s TYR 48 CO 0.06 -1.01 1.98 0.00 0.64 0.00 0.00 175.55 177.21 1sou n PRO 50 N 7.04 2.52 -0.26 0.00 -0.04 -1.26 -4.73 135.00 138.27 1sou n PRO 50 Ca 0.30 -2.34 0.02 0.00 -0.04 0.00 0.00 63.50 61.44 1sou n PRO 50 Cb 0.25 -3.13 0.14 0.00 -0.04 0.00 0.00 33.50 30.72 1sou n PRO 50 CO 0.00 0.00 0.00 -0.84 -0.04 0.00 0.00 175.50 174.62 1sou h ILE 51 N 4.05 0.88 -0.38 0.52 3.07 -1.98 -1.39 117.51 122.28 1sou h ILE 51 Ca 0.55 -0.23 -0.20 0.00 1.55 0.00 0.00 64.86 66.53 1sou h ILE 51 Cb 0.61 0.15 -0.12 0.00 -0.27 0.00 0.00 36.82 37.19 1sou h ILE 51 CO 1.89 0.12 -0.10 0.29 -1.05 0.00 0.00 178.15 179.30 1sou n LYS 52 N -4.82 1.90 -3.91 0.16 5.02 -1.26 -5.00 118.16 110.25 1sou n LYS 52 Ca 0.11 -3.24 -0.31 0.00 -2.02 0.00 0.00 58.31 52.85 1sou n LYS 52 Cb 0.27 -1.84 -0.04 0.00 -0.02 0.00 0.00 35.03 33.39 1sou n LYS 52 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1sou s GLY 53 N -2.58 2.19 -0.10 0.72 0.00 -0.53 -4.86 107.32 102.16 1sou s GLY 53 Ca 0.45 -0.82 0.02 0.00 0.00 0.00 0.00 44.72 44.38 1sou s GLY 53 CO -0.01 -0.79 0.45 -1.84 0.00 0.00 0.00 173.10 170.91 1sou n GLU 54 N 0.33 0.70 -2.24 2.90 0.00 -1.26 -4.73 120.64 116.35 1sou n GLU 54 Ca -0.05 0.26 -0.41 0.00 0.00 0.00 0.00 57.16 56.96 1sou n GLU 54 Cb 0.51 -1.73 -0.03 0.00 0.00 0.00 0.00 31.44 30.20 1sou n GLU 54 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.13 177.21 1sou s VAL 55 N -2.57 3.61 -0.68 3.84 1.01 -1.26 -4.92 120.40 119.43 1sou s VAL 55 Ca -0.15 0.49 -0.27 0.00 0.00 0.00 0.00 61.98 62.05 1sou s VAL 55 Cb 0.07 -4.19 0.02 0.00 0.00 0.00 0.00 36.38 32.28 1sou s VAL 55 CO 0.79 -1.01 1.32 -0.62 0.00 0.00 0.00 175.10 175.58 1sou s ASP 56 N 5.72 6.15 0.00 3.32 2.15 -1.26 -4.80 116.67 127.96 1sou s ASP 56 Ca 0.60 -0.20 0.21 0.00 0.43 0.00 0.00 52.55 53.59 1sou s ASP 56 Cb -0.13 -2.55 0.42 0.00 -0.30 0.00 0.00 42.92 40.35 1sou s ASP 56 CO 0.25 -1.79 1.36 0.18 -0.17 0.00 0.00 175.17 175.00 1sou n LEU 57 N 9.45 3.38 0.18 -1.34 4.77 -1.26 -4.64 117.00 127.55 1sou n LEU 57 Ca 0.06 -1.59 -0.15 0.00 -0.03 0.00 0.00 56.01 54.31 1sou n LEU 57 Cb 0.49 -0.26 -0.08 0.00 -2.33 0.00 0.00 43.42 41.24 1sou n LEU 57 CO 0.71 0.75 0.77 0.74 -1.33 0.00 0.00 177.39 179.04 1sou h THR 58 N 4.04 0.71 0.00 -5.08 2.02 -1.99 -2.43 112.91 110.18 1sou h THR 58 Ca 0.00 -0.01 0.00 0.00 0.77 0.00 0.00 66.41 67.17 1sou h THR 58 Cb 0.93 0.72 0.00 0.00 -1.74 0.00 0.00 68.15 68.05 1sou h THR 58 CO 0.00 0.00 0.00 -2.65 0.37 0.00 0.00 175.52 173.24 1sou n PRO 59 N -5.26 0.44 0.05 6.66 -0.02 -1.26 -1.98 135.00 133.63 1sou n PRO 59 Ca -0.10 0.00 0.12 0.00 -2.02 0.00 0.00 63.50 61.50 1sou n PRO 59 Cb 0.18 -1.14 0.19 0.00 -0.02 0.00 0.00 33.50 32.72 1sou n PRO 59 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 1sou n LEU 60 N -0.64 0.64 -0.07 2.45 7.94 -0.91 -4.18 117.00 122.22 1sou n LEU 60 Ca 0.03 0.18 -0.07 0.00 -1.11 0.00 0.00 56.01 55.04 1sou n LEU 60 Cb 0.01 -0.20 -0.00 0.00 0.53 0.00 0.00 43.42 43.76 1sou n LEU 60 CO 0.02 -0.01 0.86 -0.26 -1.11 0.00 0.00 177.39 176.89 1sou h PHE 61 N 0.00 0.00 -0.86 1.96 0.04 -1.55 -1.91 116.94 114.62 1sou h PHE 61 Ca 0.00 0.02 0.16 0.00 2.80 0.00 0.00 57.97 60.95 1sou h PHE 61 Cb 0.69 0.04 -0.07 0.00 2.20 0.00 0.00 35.95 38.82 1sou h PHE 61 CO 0.00 -0.04 0.56 -1.35 -0.60 0.00 0.00 178.31 176.89 1sou h PRO 62 N 0.09 0.55 -0.04 1.51 0.11 -1.83 0.17 132.00 132.56 1sou h PRO 62 Ca 0.13 -0.03 -0.12 0.00 0.11 0.00 0.00 66.00 66.09 1sou h PRO 62 Cb 0.17 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.14 1sou h PRO 62 CO -0.22 0.36 -0.54 1.49 -0.21 0.00 0.00 178.00 178.88 1sou h GLU 63 N 0.56 0.12 -0.02 1.05 4.57 -1.60 -2.25 114.58 117.00 1sou h GLU 63 Ca 0.44 -0.07 -0.24 0.00 -1.18 0.00 0.00 59.36 58.30 1sou h GLU 63 Cb 0.86 0.01 0.02 0.00 -0.16 0.00 0.00 28.75 29.48 1sou h GLU 63 CO -0.18 0.63 -0.93 0.28 -1.18 0.00 0.00 179.01 177.63 1sou h VAL 64 N 0.09 1.30 0.00 0.32 2.07 -0.45 -3.07 116.25 116.51 1sou h VAL 64 Ca -0.00 -2.17 0.00 0.00 0.82 0.00 0.00 66.70 65.35 1sou h VAL 64 Cb 0.99 2.36 0.00 0.00 -1.52 0.00 0.00 31.29 33.12 1sou h VAL 64 CO 0.08 0.67 0.00 0.18 0.02 0.00 0.00 177.57 178.52 1sou n LEU 65 N -3.93 0.24 0.38 2.57 4.77 0.43 -0.35 117.00 121.12 1sou n LEU 65 Ca -0.10 0.58 -0.15 0.00 -0.03 0.00 0.00 56.01 56.31 1sou n LEU 65 Cb 0.83 -0.57 -0.07 0.00 -2.33 0.00 0.00 43.42 41.27 1sou n LEU 65 CO 0.54 -0.50 0.41 0.50 -1.33 0.00 0.00 177.39 177.00 1sou h LYS 66 N 0.00 -0.95 0.00 3.23 3.64 -1.30 -3.41 116.57 117.77 1sou h LYS 66 Ca 0.00 0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 1sou h LYS 66 Cb 0.17 0.22 0.00 0.00 -0.41 0.00 0.00 32.23 32.20 1sou h LYS 66 CO 0.00 -0.63 -0.95 -0.85 -2.27 0.00 0.00 179.45 174.75 1sou n GLU 67 N -5.29 0.31 -2.47 1.90 0.28 -1.14 -5.08 120.64 109.16 1sou n GLU 67 Ca -0.12 0.00 -0.08 0.00 -0.16 0.00 0.00 57.16 56.80 1sou n GLU 67 Cb 0.39 -0.97 -0.01 0.00 1.43 0.00 0.00 31.44 32.27 1sou n GLU 67 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1sou n LYS 68 N -1.44 1.54 -4.63 3.44 5.02 0.53 -5.06 118.16 117.56 1sou n LYS 68 Ca 0.00 -0.92 -0.32 0.00 -2.02 0.00 0.00 58.31 55.05 1sou n LYS 68 Cb 0.00 0.20 -0.12 0.00 -0.02 0.00 0.00 35.03 35.09 1sou n LYS 68 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1sou s GLU 69 N -2.50 2.44 -0.20 1.97 8.01 -1.05 -4.28 118.70 123.09 1sou s GLU 69 Ca 0.03 -0.76 -0.17 0.00 0.01 0.00 0.00 54.97 54.07 1sou s GLU 69 Cb -0.00 -2.40 -0.04 0.00 -4.31 0.00 0.00 34.13 27.38 1sou s GLU 69 CO 0.02 0.60 0.47 -1.17 0.01 0.00 0.00 175.26 175.19 1sou s LEU 70 N -1.20 4.15 -0.17 1.80 2.96 -0.90 -2.41 118.68 122.91 1sou s LEU 70 Ca 0.15 0.62 -0.03 0.00 -0.22 0.00 0.00 54.13 54.64 1sou s LEU 70 Cb -0.11 -2.63 -0.02 0.00 0.50 0.00 0.00 46.19 43.93 1sou s LEU 70 CO 0.05 -0.13 -0.06 -0.63 -1.32 0.00 0.00 176.35 174.25 1sou s ILE 71 N 1.48 3.51 0.08 6.68 1.01 0.26 -0.40 121.20 133.82 1sou s ILE 71 Ca 0.22 -0.48 0.08 0.00 0.00 0.00 0.00 60.65 60.48 1sou s ILE 71 Cb -0.15 -2.55 -0.03 0.00 0.01 0.00 0.00 42.46 39.74 1sou s ILE 71 CO 0.09 0.47 -0.22 -0.76 0.00 0.00 0.00 174.94 174.52 1sou s LEU 72 N 0.75 2.25 -0.13 2.97 1.43 -0.42 -2.25 118.68 123.28 1sou s LEU 72 Ca -0.03 -0.64 -0.26 0.00 -1.03 0.00 0.00 54.13 52.18 1sou s LEU 72 Cb -0.15 -1.00 -0.02 0.00 0.03 0.00 0.00 46.19 45.06 1sou s LEU 72 CO 0.02 0.13 0.85 -2.16 0.23 0.00 0.00 176.35 175.41 1sou s PRO 73 N -1.65 4.36 -0.06 1.29 0.05 -1.26 -0.51 135.00 137.22 1sou s PRO 73 Ca 0.08 1.08 0.03 0.00 0.05 0.00 0.00 61.00 62.25 1sou s PRO 73 Cb -0.10 -3.54 -0.03 0.00 0.05 0.00 0.00 34.50 30.89 1sou s PRO 73 CO 0.04 -0.25 -0.13 0.21 0.05 0.00 0.00 177.00 176.92 1sou s LYS 74 N 1.84 2.58 -0.51 4.56 2.20 0.48 -4.94 119.74 125.95 1sou s LYS 74 Ca 0.41 -0.66 -0.11 0.00 -0.36 0.00 0.00 55.97 55.24 1sou s LYS 74 Cb -0.17 -2.43 0.13 0.00 -1.51 0.00 0.00 37.83 33.84 1sou s LYS 74 CO 0.15 0.62 0.41 0.08 -0.36 0.00 0.00 175.35 176.26 1sou s VAL 75 N -0.72 4.55 -1.21 4.02 1.01 -1.26 -1.03 120.40 125.76 1sou s VAL 75 Ca 0.11 -1.77 -0.19 0.00 0.00 0.00 0.00 61.98 60.13 1sou s VAL 75 Cb -0.11 -3.96 0.08 0.00 0.00 0.00 0.00 36.38 32.39 1sou s VAL 75 CO 0.01 -0.82 1.61 -1.61 0.00 0.00 0.00 175.10 174.29 1sou s GLU 76 N 1.33 3.90 1.95 2.72 0.41 0.61 -4.75 118.70 124.87 1sou s GLU 76 Ca 0.06 -1.88 0.00 0.00 -0.41 0.00 0.00 54.97 52.74 1sou s GLU 76 Cb -0.26 -5.41 0.00 0.00 -1.78 0.00 0.00 34.13 26.67 1sou s GLU 76 CO -0.00 -2.16 0.00 0.41 -0.49 0.00 0.00 175.26 173.01 1sou n GLY 77 N 5.55 1.45 0.00 -1.39 0.00 -1.26 -1.01 105.19 108.53 1sou n GLY 77 Ca 0.43 0.25 0.00 0.00 0.00 0.00 0.00 46.02 46.70 1sou n GLY 77 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1sou n ASN 78 N 4.79 0.23 -4.43 1.61 5.03 -1.26 -4.96 115.26 116.27 1sou n ASN 78 Ca 0.00 -0.58 -0.44 0.00 0.87 0.00 0.00 54.58 54.44 1sou n ASN 78 Cb 0.00 0.61 -0.04 0.00 -1.02 0.00 0.00 39.78 39.33 1sou n ASN 78 CO 0.00 0.00 0.00 -0.70 -1.83 0.00 0.00 177.26 174.73 1sou s GLU 79 N -0.61 3.14 -0.15 3.52 2.56 -0.18 -4.99 118.70 121.99 1sou s GLU 79 Ca 0.00 -1.06 -0.18 0.00 0.00 0.00 0.00 54.97 53.73 1sou s GLU 79 Cb 0.00 -4.31 -0.04 0.00 2.00 0.00 0.00 34.13 31.78 1sou s GLU 79 CO 0.00 -1.74 0.49 -1.50 -0.56 0.00 0.00 175.26 171.94 1sou s ILE 80 N 3.56 5.16 0.19 -3.70 2.07 -1.26 -0.29 121.20 126.94 1sou s ILE 80 Ca 0.20 0.94 0.00 0.00 -1.41 0.00 0.00 60.65 60.39 1sou s ILE 80 Cb -0.17 -3.82 -0.04 0.00 0.13 0.00 0.00 42.46 38.55 1sou s ILE 80 CO 0.07 0.27 0.07 -0.44 -1.91 0.00 0.00 174.94 173.00 1sou s SER 81 N 0.84 0.76 -0.12 4.50 0.01 -0.19 -4.78 113.70 114.71 1sou s SER 81 Ca 0.25 -1.29 -0.08 0.00 1.31 0.00 0.00 55.95 56.13 1sou s SER 81 Cb -0.15 0.23 -0.04 0.00 0.21 0.00 0.00 66.02 66.27 1sou s SER 81 CO 0.10 -0.71 0.17 -0.76 0.41 0.00 0.00 173.24 172.44 1sou s LEU 82 N -3.18 4.36 -0.12 2.44 1.43 -1.22 -0.38 118.68 122.01 1sou s LEU 82 Ca 0.31 0.47 0.03 0.00 -1.03 0.00 0.00 54.13 53.91 1sou s LEU 82 Cb 0.07 -2.13 0.00 0.00 0.03 0.00 0.00 46.19 44.17 1sou s LEU 82 CO 0.08 0.36 -0.21 -0.31 0.23 0.00 0.00 176.35 176.50 1sou s TYR 83 N -0.77 2.64 -0.39 0.29 1.51 0.33 -0.40 117.35 120.56 1sou s TYR 83 Ca 0.15 -1.08 -0.17 0.00 -1.01 0.00 0.00 57.07 54.96 1sou s TYR 83 Cb -0.12 -1.77 0.01 0.00 -0.11 0.00 0.00 41.96 39.96 1sou s TYR 83 CO 0.04 -0.45 0.45 0.50 -1.11 0.00 0.00 175.55 174.97 1sou s ARG 84 N 0.52 3.29 -0.12 -0.62 3.52 -0.62 -1.30 118.95 123.62 1sou s ARG 84 Ca -0.13 -0.56 -0.06 0.00 -0.13 0.00 0.00 55.73 54.84 1sou s ARG 84 Cb -0.17 -3.91 -0.04 0.00 -1.56 0.00 0.00 34.95 29.28 1sou s ARG 84 CO 0.05 -0.76 0.10 0.14 -0.81 0.00 0.00 175.30 174.02 1sou s VAL 85 N 2.20 5.16 -1.96 7.11 -7.23 0.46 -3.87 120.40 122.28 1sou s VAL 85 Ca 0.14 0.08 0.24 0.00 -1.81 0.00 0.00 61.98 60.63 1sou s VAL 85 Cb -0.16 -3.25 0.08 0.00 0.56 0.00 0.00 36.38 33.61 1sou s VAL 85 CO 0.14 0.59 1.24 1.41 -0.31 0.00 0.00 175.10 178.17 1sou n HIS 86 N 2.28 0.00 -3.61 2.82 -0.00 -1.26 -2.12 115.22 113.33 1sou n HIS 86 Ca -0.19 0.00 -0.10 0.00 -0.00 0.00 0.00 57.72 57.43 1sou n HIS 86 Cb 0.54 -0.04 -0.06 0.00 -0.00 0.00 0.00 29.99 30.43 1sou n HIS 86 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 1sou s SER 87 N -2.48 -0.43 -0.93 0.41 0.15 -1.26 -4.97 113.70 104.19 1sou s SER 87 Ca 0.20 0.67 -0.21 0.00 0.70 0.00 0.00 55.95 57.32 1sou s SER 87 Cb 0.18 0.63 -0.12 0.00 -1.71 0.00 0.00 66.02 65.01 1sou s SER 87 CO 0.55 -0.26 1.97 -0.81 1.20 0.00 0.00 173.24 175.89 1sou n PRO 88 N 1.53 1.76 0.00 5.44 -0.04 -1.26 -4.32 135.00 138.11 1sou n PRO 88 Ca -0.12 -2.06 -0.04 0.00 -0.04 0.00 0.00 63.50 61.25 1sou n PRO 88 Cb 0.57 -3.07 -0.01 0.00 -0.04 0.00 0.00 33.50 30.95 1sou n PRO 88 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1sou n ALA 89 N 7.98 2.42 0.37 0.55 0.00 -1.26 -4.71 120.51 125.86 1sou n ALA 89 Ca 0.49 -0.25 0.01 0.00 0.00 0.00 0.00 53.44 53.69 1sou n ALA 89 Cb 0.41 0.23 0.12 0.00 0.00 0.00 0.00 19.45 20.21 1sou n ALA 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1sou s LEU 91 N -0.92 5.19 0.00 0.00 1.43 -1.26 -0.58 118.68 122.54 1sou s LEU 91 Ca 0.18 -0.97 0.00 0.00 -1.03 0.00 0.00 54.13 52.31 1sou s LEU 91 Cb 0.14 -2.22 0.00 0.00 0.03 0.00 0.00 46.19 44.14 1sou s LEU 91 CO 0.05 -0.55 0.00 0.61 0.23 0.00 0.00 176.35 176.69 1sou n GLY 92 N 5.16 5.28 2.79 -3.19 0.00 0.76 -4.85 105.19 111.13 1sou n GLY 92 Ca -0.10 -1.91 -0.29 0.00 0.00 0.00 0.00 46.02 43.71 1sou n GLY 92 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1sou s VAL 93 N 1.80 0.85 0.00 1.61 1.01 -1.26 0.48 120.40 124.90 1sou s VAL 93 Ca 0.00 -0.89 0.00 0.00 0.00 0.00 0.00 61.98 61.09 1sou s VAL 93 Cb 0.00 -1.35 0.00 0.00 0.00 0.00 0.00 36.38 35.03 1sou s VAL 93 CO 0.00 -0.27 0.00 0.61 0.00 0.00 0.00 175.10 175.44 1sou n GLY 94 N 4.91 1.00 0.00 4.51 0.00 -1.26 -4.90 105.19 109.45 1sou n GLY 94 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 1sou n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sou n ALA 95 N 0.00 0.00 0.30 4.61 0.00 -1.25 -4.92 120.51 119.25 1sou n ALA 95 Ca 0.00 0.00 0.19 0.00 0.00 0.00 0.00 53.44 53.63 1sou n ALA 95 Cb 0.21 0.00 0.94 0.00 0.00 0.00 0.00 19.45 20.59 1sou n ALA 95 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1sou h PHE 96 N -0.10 0.00 0.00 0.00 3.57 -1.98 -3.42 116.94 115.01 1sou h PHE 96 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1sou h PHE 96 Cb 0.00 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.74 1sou h PHE 96 CO 0.00 0.00 0.00 0.41 -2.23 0.00 0.00 178.31 176.49 1sou n GLY 97 N -0.75 0.12 3.93 2.40 0.00 -1.26 -5.15 105.19 104.47 1sou n GLY 97 Ca -0.01 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.73 1sou n GLY 97 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1sou s ILE 98 N 0.00 2.12 0.33 -0.61 -4.36 -1.26 -5.00 121.20 112.42 1sou s ILE 98 Ca 0.00 -0.17 -0.29 0.00 -0.26 0.00 0.00 60.65 59.93 1sou s ILE 98 Cb 0.00 -2.95 -0.11 0.00 1.25 0.00 0.00 42.46 40.65 1sou s ILE 98 CO 0.00 0.00 1.47 -0.04 0.24 0.00 0.00 174.94 176.61 1sou s MET 99 N -5.48 4.19 -0.38 0.37 -1.94 -1.26 -3.95 119.30 110.84 1sou s MET 99 Ca 0.65 2.45 -0.08 0.00 -1.71 0.00 0.00 55.69 57.01 1sou s MET 99 Cb -0.08 -3.03 0.06 0.00 2.01 0.00 0.00 34.83 33.79 1sou s MET 99 CO 0.48 -0.47 0.18 -2.00 -0.01 0.00 0.00 175.02 173.20 1sou s GLU 100 N -1.36 2.58 -0.51 2.03 2.56 0.18 -4.82 118.70 119.35 1sou s GLU 100 Ca 0.56 -1.33 -0.28 0.00 0.00 0.00 0.00 54.97 53.91 1sou s GLU 100 Cb -0.45 -3.62 0.01 0.00 2.00 0.00 0.00 34.13 32.08 1sou s GLU 100 CO 0.54 -0.81 1.50 -1.25 -0.56 0.00 0.00 175.26 174.67 1sou s PRO 101 N 1.40 3.29 0.08 4.30 0.04 -1.26 -0.17 135.00 142.69 1sou s PRO 101 Ca 0.01 0.66 -0.18 0.00 0.04 0.00 0.00 61.00 61.53 1sou s PRO 101 Cb -0.21 -4.14 -0.08 0.00 0.04 0.00 0.00 34.50 30.11 1sou s PRO 101 CO 0.02 -1.93 1.50 -0.39 0.04 0.00 0.00 177.00 176.24 1sou h VAL 102 N 6.49 1.27 -4.82 -0.36 -1.51 -1.24 -3.47 116.25 112.61 1sou h VAL 102 Ca -0.27 -0.99 -0.44 0.00 -1.23 0.00 0.00 66.70 63.76 1sou h VAL 102 Cb 1.11 1.42 -0.13 0.00 -2.13 0.00 0.00 31.29 31.56 1sou h VAL 102 CO 1.15 0.31 -0.47 -1.61 -1.23 0.00 0.00 177.57 175.72 1sou s GLU 103 N -4.87 1.74 0.00 5.19 2.02 -1.26 -5.12 118.70 116.40 1sou s GLU 103 Ca -0.14 -1.98 0.00 0.00 0.02 0.00 0.00 54.97 52.88 1sou s GLU 103 Cb 0.07 0.33 0.00 0.00 0.10 0.00 0.00 34.13 34.64 1sou s GLU 103 CO 0.75 -0.65 0.00 0.41 0.02 0.00 0.00 175.26 175.80 1sou n GLY 104 N -0.60 0.56 3.15 -1.39 0.00 -1.26 -4.84 105.19 100.81 1sou n GLY 104 Ca 0.07 -1.02 -0.33 0.00 0.00 0.00 0.00 46.02 44.74 1sou n GLY 104 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1sou s GLU 105 N -0.03 2.98 -0.82 1.61 2.02 -1.25 -5.03 118.70 118.18 1sou s GLU 105 Ca 0.00 -0.85 -0.25 0.00 0.02 0.00 0.00 54.97 53.89 1sou s GLU 105 Cb 0.00 -2.69 0.04 0.00 0.10 0.00 0.00 34.13 31.58 1sou s GLU 105 CO 0.00 -0.25 1.31 0.50 0.02 0.00 0.00 175.26 176.84 1sou s ARG 106 N 1.31 3.31 -0.28 1.61 3.52 -1.26 -1.59 118.95 125.56 1sou s ARG 106 Ca 0.04 -0.55 -0.12 0.00 -0.13 0.00 0.00 55.73 54.97 1sou s ARG 106 Cb -0.14 -4.53 -0.05 0.00 -1.56 0.00 0.00 34.95 28.68 1sou s ARG 106 CO -0.10 -2.14 0.23 0.08 -0.81 0.00 0.00 175.30 172.56 1sou s VAL 107 N 5.37 5.28 0.57 7.11 1.01 0.46 -5.01 120.40 135.19 1sou s VAL 107 Ca 0.37 0.25 -0.16 0.00 0.00 0.00 0.00 61.98 62.44 1sou s VAL 107 Cb -0.06 -3.57 -0.05 0.00 0.00 0.00 0.00 36.38 32.70 1sou s VAL 107 CO 0.07 0.23 1.04 0.20 0.00 0.00 0.00 175.10 176.64 1sou s ASN 108 N 1.73 5.98 0.61 3.32 0.01 -1.26 -3.42 114.94 121.91 1sou s ASN 108 Ca 0.09 1.79 0.29 0.00 -0.71 0.00 0.00 52.86 54.32 1sou s ASN 108 Cb -0.16 -2.53 1.59 0.00 0.41 0.00 0.00 41.25 40.56 1sou s ASN 108 CO 0.11 -1.03 1.88 1.55 -1.51 0.00 0.00 177.10 178.10 1sou h PRO 109 N 0.65 0.00 -0.91 -0.60 0.13 -1.95 -0.34 132.00 128.97 1sou h PRO 109 Ca -0.47 0.00 0.08 0.00 -0.87 0.00 0.00 66.00 64.74 1sou h PRO 109 Cb 1.21 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.28 1sou h PRO 109 CO 0.58 0.00 0.57 1.49 -0.23 0.00 0.00 178.00 180.41 1sou h GLU 110 N 0.00 0.97 -0.00 0.86 4.57 -1.91 -2.50 114.58 116.58 1sou h GLU 110 Ca 0.00 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.12 1sou h GLU 110 Cb 0.57 -0.22 0.00 0.00 -0.16 0.00 0.00 28.75 28.94 1sou h GLU 110 CO 0.00 0.64 -0.34 -3.47 -1.18 0.00 0.00 179.01 174.67 1sou n ASP 111 N -4.61 0.42 -4.72 1.04 2.03 -0.14 -4.85 116.55 105.72 1sou n ASP 111 Ca 0.14 -0.14 -0.41 0.00 0.52 0.00 0.00 54.79 54.90 1sou n ASP 111 Cb 0.22 0.04 -0.04 0.00 -0.72 0.00 0.00 41.12 40.62 1sou n ASP 111 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1sou s VAL 112 N -2.93 4.75 -0.22 5.18 1.01 -0.94 -4.79 120.40 122.46 1sou s VAL 112 Ca 0.14 1.95 -0.19 0.00 0.00 0.00 0.00 61.98 63.88 1sou s VAL 112 Cb 0.18 -4.27 -0.18 0.00 0.00 0.00 0.00 36.38 32.11 1sou s VAL 112 CO 0.63 0.25 0.12 0.47 0.00 0.00 0.00 175.10 176.57 1sou n ASP 113 N 3.38 1.89 -4.07 3.32 8.00 -1.07 -3.70 116.55 124.31 1sou n ASP 113 Ca 0.03 0.39 -0.22 0.00 0.71 0.00 0.00 54.79 55.70 1sou n ASP 113 Cb 0.50 -0.93 -0.15 0.00 -0.02 0.00 0.00 41.12 40.52 1sou n ASP 113 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 1sou s PHE 114 N -2.40 1.15 -0.05 1.24 2.19 -0.19 -0.43 117.98 119.49 1sou s PHE 114 Ca -0.30 -0.25 -0.05 0.00 0.33 0.00 0.00 56.93 56.66 1sou s PHE 114 Cb 0.07 -0.76 0.01 0.00 -1.31 0.00 0.00 43.02 41.04 1sou s PHE 114 CO 0.58 -0.06 0.13 -1.50 1.83 0.00 0.00 175.22 176.21 1sou s ILE 115 N -0.14 0.00 -0.14 3.12 2.07 -0.72 -0.39 121.20 125.00 1sou s ILE 115 Ca 0.02 -0.00 0.00 0.00 -1.41 0.00 0.00 60.65 59.26 1sou s ILE 115 Cb -0.07 -0.19 -0.01 0.00 0.13 0.00 0.00 42.46 42.33 1sou s ILE 115 CO 0.00 -0.00 -0.15 0.00 -1.91 0.00 0.00 174.94 172.88 1sou s ALA 116 N 0.06 2.51 -0.16 1.50 0.00 -0.42 -0.44 121.76 124.80 1sou s ALA 116 Ca -0.00 -0.99 0.01 0.00 0.00 0.00 0.00 51.96 50.98 1sou s ALA 116 Cb -0.01 -1.19 0.02 0.00 0.00 0.00 0.00 23.12 21.94 1sou s ALA 116 CO 0.00 0.08 -0.20 0.08 0.00 0.00 0.00 175.76 175.72 1sou s VAL 117 N 0.64 1.99 0.11 0.00 1.01 0.45 -1.39 120.40 123.21 1sou s VAL 117 Ca -0.08 -0.91 -0.13 0.00 0.00 0.00 0.00 61.98 60.86 1sou s VAL 117 Cb -0.16 -1.79 -0.09 0.00 0.00 0.00 0.00 36.38 34.34 1sou s VAL 117 CO 0.03 0.53 1.40 1.55 0.00 0.00 0.00 175.10 178.61 1sou h PRO 118 N 7.77 0.80 0.00 2.72 0.13 -1.80 -0.99 132.00 140.62 1sou h PRO 118 Ca -0.41 -0.47 0.00 0.00 -0.87 0.00 0.00 66.00 64.25 1sou h PRO 118 Cb 1.15 0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1sou h PRO 118 CO 0.60 1.10 0.00 0.41 -0.23 0.00 0.00 178.00 179.88 1sou n GLY 119 N 0.30 1.65 1.17 1.56 0.00 -1.26 -4.48 105.19 104.12 1sou n GLY 119 Ca -0.04 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.42 1sou n GLY 119 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1sou n VAL 120 N 0.00 0.00 -3.46 1.61 0.31 -1.26 -4.86 118.33 110.67 1sou n VAL 120 Ca 0.00 0.00 -0.13 0.00 -0.01 0.00 0.00 64.34 64.20 1sou n VAL 120 Cb 0.00 -0.33 -0.03 0.00 -0.91 0.00 0.00 33.84 32.57 1sou n VAL 120 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1sou s ALA 121 N -1.61 -1.68 0.18 3.52 0.00 -1.26 -4.82 121.76 116.08 1sou s ALA 121 Ca 0.00 0.80 0.01 0.00 0.00 0.00 0.00 51.96 52.77 1sou s ALA 121 Cb 0.00 0.55 -0.05 0.00 0.00 0.00 0.00 23.12 23.62 1sou s ALA 121 CO 0.00 -0.64 0.04 -0.06 0.00 0.00 0.00 175.76 175.10 1sou s PHE 122 N -2.93 1.22 0.10 0.00 0.08 -1.05 -1.34 117.98 114.05 1sou s PHE 122 Ca -0.02 -1.11 0.01 0.00 0.12 0.00 0.00 56.93 55.93 1sou s PHE 122 Cb -0.01 -0.69 0.01 0.00 -0.57 0.00 0.00 43.02 41.76 1sou s PHE 122 CO -0.06 -0.31 0.06 -0.40 -0.10 0.00 0.00 175.22 174.41 1sou n ASP 123 N -0.26 1.42 0.12 1.36 5.75 -1.10 -0.40 116.55 123.43 1sou n ASP 123 Ca -0.05 -1.35 0.12 0.00 -0.01 0.00 0.00 54.79 53.51 1sou n ASP 123 Cb 0.64 0.00 0.47 0.00 -1.03 0.00 0.00 41.12 41.20 1sou n ASP 123 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1sou n LEU 124 N 0.00 0.65 -0.02 -2.12 4.77 -0.90 -2.72 117.00 116.66 1sou n LEU 124 Ca -0.01 0.64 0.07 0.00 -0.03 0.00 0.00 56.01 56.69 1sou n LEU 124 Cb 0.11 -0.54 -0.15 0.00 -2.33 0.00 0.00 43.42 40.51 1sou n LEU 124 CO 0.07 -0.49 -0.80 1.21 -1.33 0.00 0.00 177.39 176.05 1sou n GLU 125 N -2.20 0.66 0.00 3.23 2.13 -1.26 -5.00 120.64 118.20 1sou n GLU 125 Ca 0.03 -0.16 0.00 0.00 0.66 0.00 0.00 57.16 57.69 1sou n GLU 125 Cb 0.25 -1.48 0.00 0.00 0.27 0.00 0.00 31.44 30.49 1sou n GLU 125 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1sou n GLY 126 N 1.44 1.87 3.88 8.31 0.00 -1.10 -4.82 105.19 114.77 1sou n GLY 126 Ca -0.08 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.61 1sou n GLY 126 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1sou s TYR 127 N -2.00 3.54 0.36 1.61 1.51 -1.26 -0.65 117.35 120.45 1sou s TYR 127 Ca 0.00 0.63 -0.17 0.00 -1.01 0.00 0.00 57.07 56.53 1sou s TYR 127 Cb 0.00 -2.05 -0.10 0.00 -0.11 0.00 0.00 41.96 39.71 1sou s TYR 127 CO 0.00 0.51 0.80 -0.98 -1.11 0.00 0.00 175.55 174.77 1sou s ARG 128 N -2.18 4.06 -0.09 -0.62 1.70 -1.25 -2.70 118.95 117.86 1sou s ARG 128 Ca 0.35 0.80 0.13 0.00 -0.47 0.00 0.00 55.73 56.54 1sou s ARG 128 Cb -0.13 -2.35 0.55 0.00 -0.57 0.00 0.00 34.95 32.44 1sou s ARG 128 CO 0.20 0.09 1.41 -0.11 -1.08 0.00 0.00 175.30 175.82 1sou n LEU 129 N -0.48 3.75 0.00 -1.89 7.94 -0.45 -4.96 117.00 120.91 1sou n LEU 129 Ca 0.05 -1.89 0.00 0.00 -1.11 0.00 0.00 56.01 53.05 1sou n LEU 129 Cb 0.53 -0.51 0.00 0.00 0.53 0.00 0.00 43.42 43.97 1sou n LEU 129 CO 0.40 0.62 0.00 0.61 -1.11 0.00 0.00 177.39 177.91 1sou n GLY 130 N 0.88 0.44 1.36 -3.96 0.00 -1.26 -4.55 105.19 98.09 1sou n GLY 130 Ca 0.19 -1.52 0.00 0.00 0.00 0.00 0.00 46.02 44.70 1sou n GLY 130 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1sou n PHE 131 N 2.08 -1.56 0.00 1.61 7.35 -1.26 -4.60 117.46 121.08 1sou n PHE 131 Ca 0.00 0.93 0.00 0.00 -0.76 0.00 0.00 57.45 57.62 1sou n PHE 131 Cb 0.00 -2.59 0.00 0.00 0.35 0.00 0.00 39.48 37.24 1sou n PHE 131 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1sou n GLY 132 N 0.59 0.44 3.72 7.13 0.00 -1.26 -4.98 105.19 110.84 1sou n GLY 132 Ca 0.00 -0.79 -0.42 0.00 0.00 0.00 0.00 46.02 44.81 1sou n GLY 132 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1sou s LYS 133 N -0.15 4.31 0.00 1.61 2.20 -1.26 -4.42 119.74 122.03 1sou s LYS 133 Ca 0.00 2.12 0.00 0.00 -0.36 0.00 0.00 55.97 57.73 1sou s LYS 133 Cb 0.00 -3.22 0.00 0.00 -1.51 0.00 0.00 37.83 33.10 1sou s LYS 133 CO 0.00 -0.43 0.00 0.41 -0.36 0.00 0.00 175.35 174.97 1sou n GLY 134 N 3.26 1.00 0.00 5.54 0.00 -1.26 -4.96 105.19 108.77 1sou n GLY 134 Ca 0.11 -1.10 0.00 0.00 0.00 0.00 0.00 46.02 45.03 1sou n GLY 134 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1sou n TYR 135 N 0.00 0.00 -1.21 1.61 4.01 -1.26 -4.99 117.16 115.32 1sou n TYR 135 Ca 0.00 0.00 -0.07 0.00 -0.16 0.00 0.00 57.90 57.67 1sou n TYR 135 Cb 0.00 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.00 1sou n TYR 135 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 1sou n TYR 136 N 0.00 0.00 -0.29 -0.72 4.01 -1.26 -4.84 117.16 114.06 1sou n TYR 136 Ca 0.00 0.00 -0.04 0.00 -0.16 0.00 0.00 57.90 57.70 1sou n TYR 136 Cb 0.00 -2.17 0.10 0.00 -0.31 0.00 0.00 39.34 36.96 1sou n TYR 136 CO 0.00 0.00 0.00 0.22 -0.46 0.00 0.00 176.86 176.62 1sou h ASP 137 N 0.00 1.07 0.16 7.72 1.82 -1.97 -1.83 116.42 123.39 1sou h ASP 137 Ca -0.15 -0.12 0.00 0.00 -0.39 0.00 0.00 57.03 56.37 1sou h ASP 137 Cb 0.94 -0.27 0.00 0.00 0.68 0.00 0.00 39.33 40.67 1sou h ASP 137 CO 0.22 0.90 0.00 -0.09 -1.61 0.00 0.00 179.24 178.65 1sou h ARG 138 N 1.17 0.00 0.00 0.28 2.43 -1.97 -2.24 114.38 114.05 1sou h ARG 138 Ca 0.28 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.45 1sou h ARG 138 Cb 0.11 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.66 1sou h ARG 138 CO -0.04 0.00 0.00 -0.11 -1.51 0.00 0.00 179.97 178.31 1sou n LEU 139 N -2.71 0.01 0.11 3.80 7.94 -0.72 -4.13 117.00 121.30 1sou n LEU 139 Ca -0.02 0.18 0.03 0.00 -1.11 0.00 0.00 56.01 55.09 1sou n LEU 139 Cb 0.09 -0.49 0.40 0.00 0.53 0.00 0.00 43.42 43.95 1sou n LEU 139 CO 0.17 -0.49 0.94 -0.07 -1.11 0.00 0.00 177.39 176.82 1sou h LEU 140 N 0.00 0.26 0.00 -1.96 4.07 -1.52 -0.60 115.31 115.55 1sou h LEU 140 Ca 0.00 -0.04 0.00 0.00 0.08 0.00 0.00 57.88 57.92 1sou h LEU 140 Cb 0.00 -0.07 0.00 0.00 1.08 0.00 0.00 40.66 41.67 1sou h LEU 140 CO 0.00 0.37 -0.07 0.50 -1.08 0.00 0.00 178.44 178.16 1sou h LYS 141 N 0.27 0.00 -0.01 1.13 3.64 -1.65 -3.12 116.57 116.83 1sou h LYS 141 Ca 0.06 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 1sou h LYS 141 Cb 0.30 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.12 1sou h LYS 141 CO 0.01 0.00 -0.51 0.54 -2.27 0.00 0.00 179.45 177.22 1sou n ARG 142 N -2.53 1.24 -1.72 1.90 1.74 -0.37 -4.89 116.66 112.03 1sou n ARG 142 Ca 0.05 -0.80 -0.43 0.00 -0.77 0.00 0.00 57.85 55.90 1sou n ARG 142 Cb 0.47 -1.42 -0.03 0.00 -1.02 0.00 0.00 32.46 30.46 1sou n ARG 142 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1sou s VAL 143 N -2.39 3.13 -1.47 1.55 1.01 -0.44 -4.66 120.40 117.14 1sou s VAL 143 Ca 0.15 0.14 0.25 0.00 0.00 0.00 0.00 61.98 62.53 1sou s VAL 143 Cb 0.16 -3.16 0.10 0.00 0.00 0.00 0.00 36.38 33.49 1sou s VAL 143 CO 0.57 -0.08 1.40 0.29 0.00 0.00 0.00 175.10 177.27 1sou n LYS 144 N 8.39 0.53 -0.74 2.72 5.02 -1.23 -4.92 118.16 127.93 1sou n LYS 144 Ca 0.26 -0.34 -0.11 0.00 -2.02 0.00 0.00 58.31 56.10 1sou n LYS 144 Cb 0.44 -1.49 0.08 0.00 -0.02 0.00 0.00 35.03 34.04 1sou n LYS 144 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1sou n GLY 145 N 1.42 -1.22 3.59 0.72 0.00 -1.24 -4.97 105.19 103.48 1sou n GLY 145 Ca 0.09 -1.69 -0.43 0.00 0.00 0.00 0.00 46.02 43.99 1sou n GLY 145 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1sou s LEU 146 N 0.00 3.56 -0.54 0.99 2.96 0.43 -4.94 118.68 121.13 1sou s LEU 146 Ca 0.28 0.27 -0.24 0.00 -0.22 0.00 0.00 54.13 54.23 1sou s LEU 146 Cb -0.01 -3.35 0.04 0.00 0.50 0.00 0.00 46.19 43.37 1sou s LEU 146 CO 0.20 -1.36 0.94 -0.54 -1.32 0.00 0.00 176.35 174.27 1sou s LYS 147 N 4.68 3.35 -0.23 1.98 1.02 -1.26 -1.75 119.74 127.52 1sou s LYS 147 Ca 0.45 -0.23 -0.09 0.00 0.02 0.00 0.00 55.97 56.13 1sou s LYS 147 Cb -0.07 -4.04 -0.04 0.00 -0.52 0.00 0.00 37.83 33.15 1sou s LYS 147 CO 0.29 -1.46 0.12 0.08 -0.92 0.00 0.00 175.35 173.45 1sou s VAL 148 N 3.92 4.94 -0.00 3.17 1.01 0.41 -0.42 120.40 133.43 1sou s VAL 148 Ca 0.31 0.03 -0.16 0.00 0.00 0.00 0.00 61.98 62.16 1sou s VAL 148 Cb -0.12 -3.29 -0.06 0.00 0.00 0.00 0.00 36.38 32.91 1sou s VAL 148 CO 0.20 0.36 0.44 -0.83 0.00 0.00 0.00 175.10 175.27 1sou s GLY 149 N 1.12 2.50 -0.29 4.51 0.00 0.47 -0.41 107.32 115.21 1sou s GLY 149 Ca 0.06 -0.18 -0.03 0.00 0.00 0.00 0.00 44.72 44.57 1sou s GLY 149 CO 0.04 0.27 0.01 0.14 0.00 0.00 0.00 173.10 173.55 1sou s VAL 150 N -0.89 3.14 0.15 1.40 1.01 -0.38 -0.73 120.40 124.10 1sou s VAL 150 Ca 0.25 -1.22 -0.14 0.00 0.00 0.00 0.00 61.98 60.87 1sou s VAL 150 Cb -0.17 -2.74 0.02 0.00 0.00 0.00 0.00 36.38 33.49 1sou s VAL 150 CO 0.14 -0.04 0.38 0.00 0.00 0.00 0.00 175.10 175.58 1sou s ALA 151 N 1.31 -0.59 0.70 5.51 0.00 -1.01 -4.57 121.76 123.10 1sou s ALA 151 Ca -0.03 -0.40 -0.06 0.00 0.00 0.00 0.00 51.96 51.47 1sou s ALA 151 Cb -0.19 0.76 0.06 0.00 0.00 0.00 0.00 23.12 23.75 1sou s ALA 151 CO -0.01 -0.68 1.00 0.71 0.00 0.00 0.00 175.76 176.78 1sou s TYR 152 N -3.88 2.84 0.14 0.00 2.02 -1.26 -3.37 117.35 113.84 1sou s TYR 152 Ca 0.09 0.38 -0.09 0.00 -0.37 0.00 0.00 57.07 57.08 1sou s TYR 152 Cb 0.02 -3.17 -0.04 0.00 -0.40 0.00 0.00 41.96 38.36 1sou s TYR 152 CO -0.06 -1.40 1.40 1.03 -1.57 0.00 0.00 175.55 174.96 1sou h SER 153 N -0.56 0.83 0.66 2.29 0.87 -1.95 -2.20 113.55 113.50 1sou h SER 153 Ca -0.44 -0.49 0.00 0.00 -1.23 0.00 0.00 61.79 59.63 1sou h SER 153 Cb 1.31 -0.24 0.00 0.00 -0.44 0.00 0.00 62.40 63.03 1sou h SER 153 CO 0.59 1.26 0.00 2.22 -0.53 0.00 0.00 176.83 180.37 1sou n PHE 154 N -3.96 0.00 1.05 2.24 -1.74 -1.26 -2.36 117.46 111.44 1sou n PHE 154 Ca -0.05 0.00 0.11 0.00 -0.56 0.00 0.00 57.45 56.95 1sou n PHE 154 Cb 0.67 -0.45 0.11 0.00 1.52 0.00 0.00 39.48 41.32 1sou n PHE 154 CO 0.00 0.00 0.00 0.94 -0.56 0.00 0.00 176.76 177.14 1sou n GLN 155 N -1.45 0.46 -3.51 3.97 7.27 -0.84 -4.72 117.38 118.56 1sou n GLN 155 Ca 0.06 -0.34 -0.42 0.00 0.07 0.00 0.00 57.00 56.37 1sou n GLN 155 Cb 0.23 -1.49 -0.10 0.00 2.41 0.00 0.00 30.24 31.28 1sou n GLN 155 CO 0.00 0.00 0.00 0.08 0.07 0.00 0.00 177.06 177.21 1sou s VAL 156 N -2.77 5.04 0.77 1.69 1.01 -0.99 -2.54 120.40 122.61 1sou s VAL 156 Ca 0.15 -0.71 -0.02 0.00 0.00 0.00 0.00 61.98 61.40 1sou s VAL 156 Cb 0.18 -3.80 0.16 0.00 0.00 0.00 0.00 36.38 32.91 1sou s VAL 156 CO 0.68 -0.27 1.06 -0.36 0.00 0.00 0.00 175.10 176.20 1sou s PHE 157 N 1.64 1.21 -0.14 5.22 0.08 0.46 -4.94 117.98 121.51 1sou s PHE 157 Ca 0.04 -0.36 -0.19 0.00 0.12 0.00 0.00 56.93 56.55 1sou s PHE 157 Cb -0.19 -3.08 -0.16 0.00 -0.57 0.00 0.00 43.02 39.02 1sou s PHE 157 CO 0.09 -1.96 0.40 1.05 -0.10 0.00 0.00 175.22 174.70 1sou h GLU 158 N -0.71 0.00 -4.32 0.44 -0.00 -1.92 -2.39 114.58 105.68 1sou h GLU 158 Ca -0.35 0.00 -0.32 0.00 -0.00 0.00 0.00 59.36 58.69 1sou h GLU 158 Cb 1.26 0.00 -0.28 0.00 -0.00 0.00 0.00 28.75 29.73 1sou h GLU 158 CO 0.36 0.65 -0.75 -0.98 -0.00 0.00 0.00 179.01 178.29 1sou s ARG 159 N -2.07 0.43 0.12 1.06 1.70 -1.26 -2.45 118.95 116.48 1sou s ARG 159 Ca -0.15 -0.23 0.04 0.00 -0.47 0.00 0.00 55.73 54.92 1sou s ARG 159 Cb -0.00 -0.40 -0.04 0.00 -0.57 0.00 0.00 34.95 33.94 1sou s ARG 159 CO 0.45 0.11 -0.09 -0.51 -1.08 0.00 0.00 175.30 174.18 1sou s LEU 160 N -0.23 2.49 -0.57 -1.89 1.43 -1.26 -5.01 118.68 113.64 1sou s LEU 160 Ca 0.01 -0.95 -0.28 0.00 -1.03 0.00 0.00 54.13 51.87 1sou s LEU 160 Cb -0.03 -0.28 -0.11 0.00 0.03 0.00 0.00 46.19 45.81 1sou s LEU 160 CO -0.00 -0.34 2.45 -0.81 0.23 0.00 0.00 176.35 177.88 1sou n PRO 161 N 0.05 0.87 -3.54 1.29 -0.04 -1.26 -4.90 135.00 127.47 1sou n PRO 161 Ca -0.12 0.06 -0.37 0.00 -0.04 0.00 0.00 63.50 63.03 1sou n PRO 161 Cb 0.60 -2.89 -0.08 0.00 -0.04 0.00 0.00 33.50 31.09 1sou n PRO 161 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 1sou s ARG 162 N 8.11 4.21 -0.07 0.54 3.52 -1.26 -4.99 118.95 129.01 1sou s ARG 162 Ca 1.08 0.04 -0.13 0.00 -0.13 0.00 0.00 55.73 56.58 1sou s ARG 162 Cb -0.50 -3.47 -0.05 0.00 -1.56 0.00 0.00 34.95 29.37 1sou s ARG 162 CO 0.34 0.16 0.34 0.34 -0.81 0.00 0.00 175.30 175.67 1sou s ASP 163 N 0.67 6.64 0.19 -2.12 -1.08 -1.26 -4.99 116.67 114.72 1sou s ASP 163 Ca 0.15 0.76 0.26 0.00 -0.52 0.00 0.00 52.55 53.20 1sou s ASP 163 Cb -0.13 -2.20 0.75 0.00 -1.46 0.00 0.00 42.92 39.87 1sou s ASP 163 CO 0.04 0.27 1.71 0.00 0.52 0.00 0.00 175.17 177.71 1sou n ALA 164 N 2.36 2.39 -1.28 3.66 0.00 -1.26 -3.21 120.51 123.17 1sou n ALA 164 Ca -0.14 -0.06 0.08 0.00 0.00 0.00 0.00 53.44 53.32 1sou n ALA 164 Cb 0.53 -1.42 0.17 0.00 0.00 0.00 0.00 19.45 18.73 1sou n ALA 164 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.50 178.41 1sou n TRP 165 N -2.21 0.06 -0.86 0.00 8.01 -1.26 -5.02 117.44 116.17 1sou n TRP 165 Ca 0.05 -1.20 0.00 0.00 -1.31 0.00 0.00 57.50 55.04 1sou n TRP 165 Cb 0.43 -0.20 0.00 0.00 -2.01 0.00 0.00 31.31 29.53 1sou n TRP 165 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.69 173.21 1sou n ASP 166 N -1.28 0.00 -3.92 -0.99 2.03 -1.20 -5.08 116.55 106.11 1sou n ASP 166 Ca 0.18 0.00 -0.30 0.00 0.52 0.00 0.00 54.79 55.18 1sou n ASP 166 Cb 0.68 0.00 -0.15 0.00 -0.72 0.00 0.00 41.12 40.92 1sou n ASP 166 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1sou s ILE 167 N 1.09 1.53 0.64 5.18 1.01 -1.26 -5.02 121.20 124.37 1sou s ILE 167 Ca 0.00 -1.39 0.01 0.00 0.00 0.00 0.00 60.65 59.27 1sou s ILE 167 Cb 0.00 -1.89 0.08 0.00 0.01 0.00 0.00 42.46 40.66 1sou s ILE 167 CO 0.00 -0.25 0.88 -2.16 0.00 0.00 0.00 174.94 173.42 1sou s PRO 168 N 1.36 2.10 0.49 2.79 0.04 -1.26 -3.89 135.00 136.62 1sou s PRO 168 Ca -0.01 -1.01 0.07 0.00 0.04 0.00 0.00 61.00 60.08 1sou s PRO 168 Cb -0.19 -2.42 0.02 0.00 0.04 0.00 0.00 34.50 31.95 1sou s PRO 168 CO -0.09 -1.09 0.45 0.14 0.04 0.00 0.00 177.00 176.46 1sou s VAL 169 N -2.94 2.20 -0.18 -0.36 -7.23 0.17 -5.00 120.40 107.07 1sou s VAL 169 Ca 0.62 -1.34 -0.03 0.00 -1.81 0.00 0.00 61.98 59.42 1sou s VAL 169 Cb -0.07 -2.54 -0.10 0.00 0.56 0.00 0.00 36.38 34.23 1sou s VAL 169 CO 0.41 0.00 -0.19 0.47 -0.31 0.00 0.00 175.10 175.49 1sou n ASP 170 N -1.74 2.09 -4.19 4.85 8.00 0.43 -4.87 116.55 121.12 1sou n ASP 170 Ca 0.04 0.04 -0.25 0.00 0.71 0.00 0.00 54.79 55.33 1sou n ASP 170 Cb 0.63 -0.38 -0.15 0.00 -0.02 0.00 0.00 41.12 41.19 1sou n ASP 170 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1sou s VAL 171 N -2.34 1.45 -0.31 2.53 1.01 -0.97 -2.79 120.40 118.98 1sou s VAL 171 Ca -0.24 -0.83 0.03 0.00 0.00 0.00 0.00 61.98 60.94 1sou s VAL 171 Cb 0.08 -1.22 0.09 0.00 0.00 0.00 0.00 36.38 35.33 1sou s VAL 171 CO 0.36 0.37 0.01 -0.22 0.00 0.00 0.00 175.10 175.62 1sou s LEU 172 N -0.54 4.16 -0.27 3.92 2.96 -0.10 -0.40 118.68 128.42 1sou s LEU 172 Ca 0.07 -1.88 -0.22 0.00 -0.22 0.00 0.00 54.13 51.88 1sou s LEU 172 Cb -0.07 -1.54 -0.01 0.00 0.50 0.00 0.00 46.19 45.07 1sou s LEU 172 CO -0.00 -0.33 0.71 -0.69 -1.32 0.00 0.00 176.35 174.72 1sou s VAL 173 N 1.02 4.90 0.33 1.68 1.01 0.09 -0.39 120.40 129.05 1sou s VAL 173 Ca 0.05 1.21 0.03 0.00 0.00 0.00 0.00 61.98 63.27 1sou s VAL 173 Cb -0.19 -4.03 0.03 0.00 0.00 0.00 0.00 36.38 32.18 1sou s VAL 173 CO -0.08 -0.08 0.24 0.35 0.00 0.00 0.00 175.10 175.53 1sou n THR 174 N 5.31 0.00 0.28 3.92 -2.24 -0.19 -2.39 114.28 118.97 1sou n THR 174 Ca 0.02 -1.34 0.12 0.00 -2.27 0.00 0.00 64.05 60.57 1sou n THR 174 Cb 0.48 -0.19 0.78 0.00 -2.10 0.00 0.00 70.33 69.30 1sou n THR 174 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 1sou h GLU 175 N 0.00 0.00 0.00 -0.78 4.11 -1.87 -3.38 114.58 112.66 1sou h GLU 175 Ca -0.22 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.20 1sou h GLU 175 Cb 0.78 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.03 1sou h GLU 175 CO 0.34 0.00 -0.41 1.63 0.07 0.00 0.00 179.01 180.64 1sou n LYS 176 N -4.19 0.04 -4.62 1.06 5.02 -1.26 -4.34 118.16 109.88 1sou n LYS 176 Ca -0.03 0.02 -0.30 0.00 -2.02 0.00 0.00 58.31 55.98 1sou n LYS 176 Cb 0.09 -0.57 -0.09 0.00 -0.02 0.00 0.00 35.03 34.44 1sou n LYS 176 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 1sou s ASN 177 N -5.74 4.08 -0.41 4.39 2.47 -1.26 -5.03 114.94 113.45 1sou s ASN 177 Ca -0.03 -1.48 -0.01 0.00 0.42 0.00 0.00 52.86 51.76 1sou s ASN 177 Cb 0.01 0.08 0.11 0.00 -1.45 0.00 0.00 41.25 40.00 1sou s ASN 177 CO 0.03 -0.69 0.18 -0.69 -3.72 0.00 0.00 177.10 172.22 1sou s VAL 178 N -2.79 3.05 -0.12 -5.21 1.01 -1.26 -1.02 120.40 114.06 1sou s VAL 178 Ca 0.21 -2.20 -0.29 0.00 0.00 0.00 0.00 61.98 59.70 1sou s VAL 178 Cb 0.05 -3.12 -0.01 0.00 0.00 0.00 0.00 36.38 33.30 1sou s VAL 178 CO 0.11 -0.68 1.06 -0.60 0.00 0.00 0.00 175.10 174.99 1sou s ARG 179 N 0.99 4.37 -0.69 2.72 3.52 0.48 -4.90 118.95 125.45 1sou s ARG 179 Ca 0.10 1.44 -0.20 0.00 -0.13 0.00 0.00 55.73 56.94 1sou s ARG 179 Cb -0.22 -3.57 0.11 0.00 -1.56 0.00 0.00 34.95 29.71 1sou s ARG 179 CO -0.05 -0.41 0.86 1.03 -0.81 0.00 0.00 175.30 175.92 1sou s ARG 180 N 2.32 3.20 0.03 5.12 0.52 -1.26 -0.92 118.95 127.96 1sou s ARG 180 Ca 0.49 -1.34 -0.27 0.00 -0.52 0.00 0.00 55.73 54.09 1sou s ARG 180 Cb -0.19 -4.39 -0.17 0.00 0.52 0.00 0.00 34.95 30.73 1sou s ARG 180 CO 0.16 -1.65 1.37 -0.07 0.02 0.00 0.00 175.30 175.13 1sou h LEU 181 N 10.31 -0.47 -3.21 2.53 -0.00 -1.86 -3.28 115.31 119.33 1sou h LEU 181 Ca -0.18 -0.09 -0.12 0.00 -0.00 0.00 0.00 57.88 57.48 1sou h LEU 181 Cb 1.07 0.12 -0.08 0.00 -0.00 0.00 0.00 40.66 41.77 1sou h LEU 181 CO 1.10 -0.17 -0.35 0.54 -0.00 0.00 0.00 178.44 179.56 1sou n ARG 182 N -5.24 1.86 0.00 1.13 5.12 -1.23 -5.02 116.66 113.28 1sou n ARG 182 Ca -0.11 -3.34 0.00 0.00 -1.93 0.00 0.00 57.85 52.47 1sou n ARG 182 Cb 0.28 -1.76 0.00 0.00 -1.16 0.00 0.00 32.46 29.82 1sou n ARG 182 CO 0.00 0.00 0.00 -3.47 -1.93 0.00 0.00 177.63 172.23 1sou n ASP 183 N -1.09 0.00 -0.64 0.55 -0.08 -1.24 -4.75 116.55 109.29 1sou n ASP 183 Ca 0.27 0.00 -0.08 0.00 -1.51 0.00 0.00 54.79 53.47 1sou n ASP 183 Cb 0.84 0.00 -0.04 0.00 2.34 0.00 0.00 41.12 44.27 1sou n ASP 183 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1sou n GLY 184 N 0.00 0.97 0.00 0.27 0.00 -1.26 -4.79 105.19 100.38 1sou n GLY 184 Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.71 1sou n GLY 184 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sou n ARG 185 N -2.00 0.65 -2.45 1.61 1.74 -1.26 -5.03 116.66 109.92 1sou n ARG 185 Ca -0.08 -0.16 -0.42 0.00 -0.77 0.00 0.00 57.85 56.41 1sou n ARG 185 Cb 0.37 -0.58 -0.03 0.00 -1.02 0.00 0.00 32.46 31.20 1sou n ARG 185 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 1sou s SER 186 N -0.14 7.09 0.00 0.55 0.01 -1.26 -5.03 113.70 114.92 1sou s SER 186 Ca 0.00 1.95 0.00 0.00 1.31 0.00 0.00 55.95 59.21 1sou s SER 186 Cb 0.00 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.66 1sou s SER 186 CO 0.00 -0.48 0.00 0.18 0.41 0.00 0.00 173.24 173.35 1sou n LEU 187 N 4.19 0.00 0.00 2.44 4.77 -1.26 -5.09 117.00 122.05 1sou n LEU 187 Ca 0.09 0.00 -0.27 0.00 -0.03 0.00 0.00 56.01 55.80 1sou n LEU 187 Cb 0.47 0.00 0.21 0.00 -2.33 0.00 0.00 43.42 41.77 1sou n LEU 187 CO 0.55 0.00 0.67 1.21 -1.33 0.00 0.00 177.39 178.49 1sou n GLU 188 N 0.00 -2.17 -0.00 3.23 0.00 -1.26 -5.01 120.64 115.43 1sou n GLU 188 Ca 0.00 -1.73 0.05 0.00 0.00 0.00 0.00 57.16 55.48 1sou n GLU 188 Cb 0.00 -1.39 -0.07 0.00 0.00 0.00 0.00 31.44 29.98 1sou n GLU 188 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 1sou n HIS 189 N -4.22 0.00 -2.31 4.31 8.25 -1.26 -4.91 115.22 115.07 1sou n HIS 189 Ca 0.15 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.18 1sou n HIS 189 Cb 0.53 -0.17 -0.02 0.00 1.12 0.00 0.00 29.99 31.45 1sou n HIS 189 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 1sou s HIS 190 N -2.51 2.35 0.02 4.41 5.04 -1.26 -4.96 115.29 118.38 1sou s HIS 190 Ca -0.02 0.68 -0.30 0.00 -1.54 0.00 0.00 55.06 53.87 1sou s HIS 190 Cb 0.07 -4.26 -0.05 0.00 0.04 0.00 0.00 32.58 28.38 1sou s HIS 190 CO 0.41 -2.09 1.29 -1.58 -2.34 0.00 0.00 174.74 170.43 1sou s HIS 191 N 5.49 3.17 0.00 3.88 2.46 -1.26 -4.97 115.29 124.05 1sou s HIS 191 Ca 0.63 1.08 0.00 0.00 0.47 0.00 0.00 55.06 57.24 1sou s HIS 191 Cb -0.15 -3.53 0.00 0.00 -0.13 0.00 0.00 32.58 28.77 1sou s HIS 191 CO 0.32 -1.80 0.00 0.72 -2.47 0.00 0.00 174.74 171.51 1sou n HIS 192 N 4.69 0.00 0.09 3.88 8.25 -1.26 -4.93 115.22 125.93 1sou n HIS 192 Ca 0.11 0.00 0.04 0.00 -0.26 0.00 0.00 57.72 57.61 1sou n HIS 192 Cb 0.45 0.00 0.45 0.00 1.12 0.00 0.00 29.99 32.01 1sou n HIS 192 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 1sou h HIS 193 N 0.00 0.33 0.00 4.41 -0.00 -2.06 -3.56 115.15 114.27 1sou h HIS 193 Ca 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.36 1sou h HIS 193 Cb 0.00 -0.11 0.00 0.00 -0.00 0.00 0.00 27.41 27.30 1sou h HIS 193 CO 0.00 0.29 0.00 1.58 -0.00 0.00 0.00 177.93 179.80