#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 2.21 -0.22 3.17 1.43 -1.26 -4.89 118.68 119.11 1sou s LEU 2 Ca 0.00 -2.80 -0.11 0.00 -1.03 0.00 0.00 54.13 50.20 1sou s LEU 2 Cb 0.00 -0.80 -0.18 0.00 0.03 0.00 0.00 46.19 45.24 1sou s LEU 2 CO 0.00 -0.23 -0.03 0.29 0.23 0.00 0.00 176.35 176.61 1sou n LYS 3 N 3.27 0.63 0.25 1.70 5.02 -1.26 -4.27 118.16 123.51 1sou n LYS 3 Ca 0.17 0.31 -0.16 0.00 -2.02 0.00 0.00 58.31 56.61 1sou n LYS 3 Cb 0.39 -1.61 -0.08 0.00 -0.02 0.00 0.00 35.03 33.71 1sou n LYS 3 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1sou h SER 4 N -0.53 -0.65 0.20 4.39 4.64 -1.90 -0.31 113.55 119.39 1sou h SER 4 Ca -0.53 0.04 -0.00 0.00 -0.47 0.00 0.00 61.79 60.82 1sou h SER 4 Cb 1.70 0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 63.97 1sou h SER 4 CO -0.18 -0.41 -0.13 -0.08 -0.87 0.00 0.00 176.83 175.15 1sou h GLU 5 N -0.66 -0.32 -0.36 4.77 4.81 -1.95 -2.23 114.58 118.64 1sou h GLU 5 Ca -0.05 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1sou h GLU 5 Cb 0.54 0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.97 1sou h GLU 5 CO 0.05 -0.21 0.23 1.25 -0.73 0.00 0.00 179.01 179.60 1sou h LEU 6 N -0.33 0.42 -0.47 1.64 5.85 -1.72 -1.16 115.31 119.54 1sou h LEU 6 Ca -0.01 -0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.69 1sou h LEU 6 Cb 0.28 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.18 1sou h LEU 6 CO 0.01 0.33 0.28 -0.09 -0.34 0.00 0.00 178.44 178.63 1sou h ARG 7 N 0.48 0.54 -0.21 1.25 1.12 -0.99 -0.72 114.38 115.84 1sou h ARG 7 Ca 0.13 -0.03 -0.07 0.00 -1.11 0.00 0.00 59.98 58.90 1sou h ARG 7 Cb -0.02 -0.12 -0.00 0.00 -0.01 0.00 0.00 29.97 29.81 1sou h ARG 7 CO -0.03 0.36 -0.15 -0.22 -3.11 0.00 0.00 179.97 176.82 1sou h LYS 8 N 0.55 0.48 -0.33 0.20 3.64 -1.03 -0.94 116.57 119.14 1sou h LYS 8 Ca 0.19 -0.23 -0.17 0.00 -1.27 0.00 0.00 60.65 59.18 1sou h LYS 8 Cb 0.03 -0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.84 1sou h LYS 8 CO -0.09 0.79 -0.45 1.57 -2.27 0.00 0.00 179.45 178.99 1sou h LYS 9 N 0.17 0.86 -0.19 1.90 2.10 -1.10 -0.71 116.57 119.60 1sou h LYS 9 Ca 0.04 -0.49 -0.14 0.00 -2.00 0.00 0.00 60.65 58.07 1sou h LYS 9 Cb 0.67 0.03 -0.01 0.00 -0.90 0.00 0.00 32.23 32.02 1sou h LYS 9 CO 0.04 1.13 -0.46 0.28 -2.00 0.00 0.00 179.45 178.43 1sou h VAL 10 N 0.69 1.32 -0.29 0.07 2.07 -1.15 -0.83 116.25 118.13 1sou h VAL 10 Ca 0.04 -1.67 -0.01 0.00 0.82 0.00 0.00 66.70 65.88 1sou h VAL 10 Cb 1.04 1.68 -0.01 0.00 -1.52 0.00 0.00 31.29 32.48 1sou h VAL 10 CO 0.10 0.52 0.13 0.25 0.02 0.00 0.00 177.57 178.59 1sou h LEU 11 N 0.39 0.38 -0.98 2.57 5.85 -1.00 -2.94 115.31 119.59 1sou h LEU 11 Ca 0.02 -0.14 -0.09 0.00 0.84 0.00 0.00 57.88 58.51 1sou h LEU 11 Cb 0.96 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.88 1sou h LEU 11 CO 0.08 0.42 -0.21 -0.74 -0.34 0.00 0.00 178.44 177.66 1sou h HIS 12 N 0.32 0.55 -0.92 1.25 2.76 -0.95 -2.69 115.15 115.48 1sou h HIS 12 Ca 0.10 -0.11 0.16 0.00 -2.20 0.00 0.00 60.37 58.32 1sou h HIS 12 Cb 0.14 -0.14 -0.10 0.00 1.55 0.00 0.00 27.41 28.87 1sou h HIS 12 CO -0.01 0.67 0.51 0.87 -1.30 0.00 0.00 177.93 178.67 1sou h LYS 13 N 0.45 0.67 -0.16 5.26 1.79 -0.97 1.00 116.57 124.60 1sou h LYS 13 Ca 0.07 -0.04 -0.20 0.00 -2.18 0.00 0.00 60.65 58.30 1sou h LYS 13 Cb 0.61 -0.15 0.00 0.00 -1.58 0.00 0.00 32.23 31.11 1sou h LYS 13 CO 0.04 0.45 -0.71 -0.09 -1.08 0.00 0.00 179.45 178.06 1sou h ARG 14 N 0.69 0.69 -0.00 3.15 2.43 -1.42 -3.28 114.38 116.64 1sou h ARG 14 Ca 0.51 -0.53 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 1sou h ARG 14 Cb 0.74 0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.39 1sou h ARG 14 CO -0.37 1.15 -0.53 0.44 -1.51 0.00 0.00 179.97 179.14 1sou n ILE 15 N -3.93 0.00 1.12 1.20 -5.35 -0.69 -3.65 119.36 108.06 1sou n ILE 15 Ca -0.06 -0.00 0.12 0.00 -0.27 0.00 0.00 62.75 62.54 1sou n ILE 15 Cb 0.70 0.30 0.23 0.00 -1.74 0.00 0.00 39.64 39.13 1sou n ILE 15 CO 0.00 0.00 0.00 -0.46 -1.76 0.00 0.00 176.55 174.33 1sou n ASN 16 N -1.50 1.11 -4.73 7.28 2.04 0.26 -4.93 115.26 114.80 1sou n ASN 16 Ca 0.05 -0.89 -0.31 0.00 -0.44 0.00 0.00 54.58 53.00 1sou n ASN 16 Cb 0.33 0.31 0.12 0.00 -2.53 0.00 0.00 39.78 38.02 1sou n ASN 16 CO 0.00 0.00 0.00 -0.76 -0.44 0.00 0.00 177.26 176.06 1sou s LEU 17 N -2.65 2.81 0.13 -4.53 1.43 -1.24 -4.94 118.68 109.70 1sou s LEU 17 Ca 0.19 1.85 -0.31 0.00 -1.03 0.00 0.00 54.13 54.82 1sou s LEU 17 Cb 0.18 -4.41 -0.10 0.00 0.03 0.00 0.00 46.19 41.89 1sou s LEU 17 CO 0.60 -2.43 1.69 -0.44 0.23 0.00 0.00 176.35 176.00 1sou s SER 18 N -3.21 6.51 0.14 2.29 0.01 -1.26 -4.91 113.70 113.28 1sou s SER 18 Ca 0.63 2.66 -0.13 0.00 1.31 0.00 0.00 55.95 60.42 1sou s SER 18 Cb -0.19 -2.58 0.01 0.00 0.21 0.00 0.00 66.02 63.48 1sou s SER 18 CO 0.57 -0.92 1.61 -0.08 0.41 0.00 0.00 173.24 174.83 1sou h GLU 19 N 7.73 0.83 -0.11 12.44 4.81 -1.94 -0.12 114.58 138.22 1sou h GLU 19 Ca -0.44 -0.25 -0.09 0.00 -0.13 0.00 0.00 59.36 58.45 1sou h GLU 19 Cb 1.21 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.49 1sou h GLU 19 CO 0.94 0.86 -0.35 0.93 -0.73 0.00 0.00 179.01 180.65 1sou h GLU 20 N 0.69 0.22 0.05 1.92 4.39 -1.99 0.68 114.58 120.54 1sou h GLU 20 Ca 0.14 -0.09 -0.00 0.00 0.34 0.00 0.00 59.36 59.74 1sou h GLU 20 Cb 0.47 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.11 1sou h GLU 20 CO 0.02 0.55 -0.02 1.49 -1.16 0.00 0.00 179.01 179.89 1sou h GLU 21 N 0.19 -0.06 -0.73 2.33 4.57 -1.84 -2.55 114.58 116.49 1sou h GLU 21 Ca 0.02 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.21 1sou h GLU 21 Cb 0.72 0.01 -0.04 0.00 -0.16 0.00 0.00 28.75 29.29 1sou h GLU 21 CO 0.05 0.11 0.46 0.00 -1.18 0.00 0.00 179.01 178.45 1sou h ARG 22 N -0.22 0.98 -0.11 1.92 3.08 -0.56 -1.17 114.38 118.30 1sou h ARG 22 Ca -0.01 -0.07 0.03 0.00 0.07 0.00 0.00 59.98 60.00 1sou h ARG 22 Cb 0.20 -0.21 -0.03 0.00 0.08 0.00 0.00 29.97 30.01 1sou h ARG 22 CO 0.01 0.67 -0.07 -0.09 -1.07 0.00 0.00 179.97 179.42 1sou h ARG 23 N 1.00 -0.08 -0.14 0.04 2.43 -0.73 0.15 114.38 117.06 1sou h ARG 23 Ca 0.27 0.01 -0.11 0.00 -0.81 0.00 0.00 59.98 59.33 1sou h ARG 23 Cb -0.07 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.48 1sou h ARG 23 CO -0.05 -0.05 -0.40 -0.09 -1.51 0.00 0.00 179.97 177.87 1sou h ARG 24 N -0.08 0.31 -0.11 0.20 2.43 -0.99 -1.69 114.38 114.44 1sou h ARG 24 Ca 0.07 -0.15 -0.04 0.00 -0.81 0.00 0.00 59.98 59.04 1sou h ARG 24 Cb 0.18 -0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.72 1sou h ARG 24 CO -0.15 0.67 -0.10 -0.07 -1.51 0.00 0.00 179.97 178.80 1sou h LEU 25 N 0.26 0.29 -1.52 3.80 3.38 -0.93 -3.19 115.31 117.41 1sou h LEU 25 Ca 0.02 -0.47 -0.04 0.00 0.09 0.00 0.00 57.88 57.49 1sou h LEU 25 Cb 0.82 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.48 1sou h LEU 25 CO 0.07 0.70 -0.09 0.28 0.09 0.00 0.00 178.44 179.49 1sou h SER 26 N -0.12 0.19 -0.80 -0.43 0.02 -0.54 -1.48 113.55 110.39 1sou h SER 26 Ca 0.02 -0.03 0.07 0.00 -0.84 0.00 0.00 61.79 61.00 1sou h SER 26 Cb 0.62 -0.05 -0.06 0.00 0.14 0.00 0.00 62.40 63.05 1sou h SER 26 CO 0.03 0.31 0.48 -0.08 -1.14 0.00 0.00 176.83 176.42 1sou h GLU 27 N 0.20 0.84 -0.12 3.45 4.57 -1.30 0.16 114.58 122.38 1sou h GLU 27 Ca 0.04 -0.05 -0.15 0.00 -1.18 0.00 0.00 59.36 58.02 1sou h GLU 27 Cb 0.28 -0.19 -0.01 0.00 -0.16 0.00 0.00 28.75 28.68 1sou h GLU 27 CO 0.01 0.56 -0.58 0.87 -1.18 0.00 0.00 179.01 178.69 1sou h LYS 28 N 0.87 0.38 -0.18 1.92 1.57 -1.30 -2.31 116.57 117.52 1sou h LYS 28 Ca 0.36 -0.25 -0.01 0.00 -1.87 0.00 0.00 60.65 58.88 1sou h LYS 28 Cb 0.20 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.54 1sou h LYS 28 CO -0.19 0.85 0.09 0.28 -0.57 0.00 0.00 179.45 179.91 1sou h VAL 29 N 0.29 1.12 -0.47 0.50 2.07 -0.47 0.14 116.25 119.43 1sou h VAL 29 Ca -0.00 -0.35 0.04 0.00 0.82 0.00 0.00 66.70 67.21 1sou h VAL 29 Cb 1.10 1.03 -0.04 0.00 -1.52 0.00 0.00 31.29 31.86 1sou h VAL 29 CO 0.10 0.12 0.23 0.40 0.02 0.00 0.00 177.57 178.44 1sou h ILE 30 N 0.16 0.96 -0.76 4.57 2.04 -0.72 -0.31 117.51 123.47 1sou h ILE 30 Ca 0.06 -0.16 -0.02 0.00 1.00 0.00 0.00 64.86 65.74 1sou h ILE 30 Cb 0.11 0.46 -0.04 0.00 -0.74 0.00 0.00 36.82 36.61 1sou h ILE 30 CO -0.01 0.08 0.39 0.28 0.00 0.00 0.00 178.15 178.90 1sou h SER 31 N 0.46 0.96 -0.34 1.72 0.02 -1.11 -1.34 113.55 113.92 1sou h SER 31 Ca 0.20 -0.09 -0.07 0.00 -0.84 0.00 0.00 61.79 60.99 1sou h SER 31 Cb 0.11 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.40 1sou h SER 31 CO -0.14 0.79 -0.08 -1.13 -1.14 0.00 0.00 176.83 175.13 1sou h ASN 32 N 1.07 0.67 -0.60 3.07 -0.73 -0.04 0.08 115.58 119.10 1sou h ASN 32 Ca 0.27 -0.36 -0.01 0.00 1.87 0.00 0.00 56.30 58.06 1sou h ASN 32 Cb 0.06 -0.18 -0.03 0.00 0.27 0.00 0.00 38.32 38.44 1sou h ASN 32 CO -0.04 0.87 0.34 0.25 -0.37 0.00 0.00 177.43 178.48 1sou h LEU 33 N 0.45 0.76 -0.03 0.34 5.85 -0.76 -0.40 115.31 121.52 1sou h LEU 33 Ca 0.09 -0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.75 1sou h LEU 33 Cb 0.58 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.41 1sou h LEU 33 CO 0.03 0.62 0.00 0.29 -0.34 0.00 0.00 178.44 179.04 1sou n LYS 34 N -4.38 0.20 0.14 1.25 5.02 -0.53 -2.72 118.16 117.14 1sou n LYS 34 Ca 0.06 0.18 0.05 0.00 -2.02 0.00 0.00 58.31 56.58 1sou n LYS 34 Cb 0.10 -1.75 0.04 0.00 -0.02 0.00 0.00 35.03 33.41 1sou n LYS 34 CO 0.00 0.00 0.00 0.77 -0.52 0.00 0.00 177.40 177.65 1sou h SER 35 N 0.00 0.00 -2.38 4.39 0.02 0.70 -3.45 113.55 112.83 1sou h SER 35 Ca 0.00 0.00 -0.54 0.00 -0.84 0.00 0.00 61.79 60.41 1sou h SER 35 Cb 0.67 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.22 1sou h SER 35 CO 0.00 0.34 1.24 -0.76 -1.14 0.00 0.00 176.83 176.51 1sou s LEU 36 N -6.18 4.28 0.54 5.07 1.43 -0.79 -4.86 118.68 118.16 1sou s LEU 36 Ca 0.03 2.46 0.31 0.00 -1.03 0.00 0.00 54.13 55.90 1sou s LEU 36 Cb 0.07 -3.53 1.50 0.00 0.03 0.00 0.00 46.19 44.26 1sou s LEU 36 CO 0.74 -1.15 2.06 1.55 0.23 0.00 0.00 176.35 179.79 1sou h PRO 37 N 10.95 0.00 -0.06 1.29 0.13 -1.88 -2.10 132.00 140.32 1sou h PRO 37 Ca -0.46 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.58 1sou h PRO 37 Cb 1.22 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.34 1sou h PRO 37 CO 0.95 0.09 -0.38 0.93 -0.23 0.00 0.00 178.00 179.36 1sou h GLU 38 N 0.00 0.13 0.00 0.86 5.08 -1.93 -2.44 114.58 116.28 1sou h GLU 38 Ca -0.00 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.27 1sou h GLU 38 Cb 0.38 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.62 1sou h GLU 38 CO 0.01 0.49 -0.15 0.35 -1.00 0.00 0.00 179.01 178.71 1sou h PHE 39 N 0.11 0.00 -0.01 4.33 3.57 -1.64 -0.67 116.94 122.63 1sou h PHE 39 Ca 0.01 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.50 1sou h PHE 39 Cb 0.72 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.46 1sou h PHE 39 CO 0.01 0.15 -0.02 -0.22 -2.23 0.00 0.00 178.31 176.00 1sou h LYS 40 N 0.00 0.03 0.00 1.11 3.64 -1.52 -3.24 116.57 116.60 1sou h LYS 40 Ca -0.00 -0.02 -0.08 0.00 -1.27 0.00 0.00 60.65 59.28 1sou h LYS 40 Cb 0.43 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.24 1sou h LYS 40 CO 0.02 0.55 -0.39 0.87 -2.27 0.00 0.00 179.45 178.23 1sou h LYS 41 N -0.48 0.00 -5.98 1.90 1.57 -1.50 -3.38 116.57 108.71 1sou h LYS 41 Ca 0.00 0.00 -0.47 0.00 -1.87 0.00 0.00 60.65 58.31 1sou h LYS 41 Cb 0.55 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.81 1sou h LYS 41 CO 0.00 0.39 1.22 -1.12 -0.57 0.00 0.00 179.45 179.37 1sou s SER 42 N -6.46 5.38 0.15 0.86 0.01 -0.28 -4.80 113.70 108.56 1sou s SER 42 Ca 0.00 0.02 0.16 0.00 1.31 0.00 0.00 55.95 57.45 1sou s SER 42 Cb 0.11 -2.54 -0.05 0.00 0.21 0.00 0.00 66.02 63.75 1sou s SER 42 CO 0.69 -2.35 1.07 0.11 0.41 0.00 0.00 173.24 173.16 1sou h LYS 43 N 13.64 0.00 -4.65 12.44 1.57 -1.82 -3.43 116.57 134.32 1sou h LYS 43 Ca -0.19 0.00 -0.70 0.00 -1.87 0.00 0.00 60.65 57.90 1sou h LYS 43 Cb 1.12 0.00 -0.30 0.00 0.08 0.00 0.00 32.23 33.13 1sou h LYS 43 CO 1.23 0.35 -0.60 0.15 -0.57 0.00 0.00 179.45 180.01 1sou s LYS 44 N -2.96 2.53 -0.31 3.15 3.01 -1.26 -0.38 119.74 123.51 1sou s LYS 44 Ca -0.00 -1.28 -0.06 0.00 -1.01 0.00 0.00 55.97 53.61 1sou s LYS 44 Cb 0.08 -3.45 0.02 0.00 -1.01 0.00 0.00 37.83 33.47 1sou s LYS 44 CO 0.79 -0.72 0.08 0.08 0.51 0.00 0.00 175.35 176.09 1sou s VAL 45 N 1.36 3.86 -0.22 3.17 1.01 0.39 -0.65 120.40 129.31 1sou s VAL 45 Ca -0.01 -0.87 -0.14 0.00 0.00 0.00 0.00 61.98 60.96 1sou s VAL 45 Cb -0.20 -3.06 -0.04 0.00 0.00 0.00 0.00 36.38 33.07 1sou s VAL 45 CO 0.01 -0.01 0.31 0.00 0.00 0.00 0.00 175.10 175.41 1sou s ALA 46 N 1.46 3.58 -0.15 5.51 0.00 0.47 -0.86 121.76 131.76 1sou s ALA 46 Ca 0.01 -0.69 -0.04 0.00 0.00 0.00 0.00 51.96 51.25 1sou s ALA 46 Cb -0.18 -2.53 -0.03 0.00 0.00 0.00 0.00 23.12 20.38 1sou s ALA 46 CO 0.02 -0.30 -0.03 -0.51 0.00 0.00 0.00 175.76 174.94 1sou s LEU 47 N 1.31 3.29 0.33 0.00 1.02 -0.92 -0.44 118.68 123.28 1sou s LEU 47 Ca 0.14 -0.10 0.15 0.00 0.02 0.00 0.00 54.13 54.35 1sou s LEU 47 Cb -0.14 -1.79 0.53 0.00 0.02 0.00 0.00 46.19 44.80 1sou s LEU 47 CO 0.07 0.19 1.67 0.22 0.02 0.00 0.00 176.35 178.52 1sou h TYR 48 N 6.54 0.00 -1.63 0.29 3.20 -1.78 -3.42 116.97 120.17 1sou h TYR 48 Ca -0.33 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.54 1sou h TYR 48 Cb 1.19 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.46 1sou h TYR 48 CO 0.54 0.48 -0.39 0.00 -1.64 0.00 0.00 178.16 177.15 1sou s PRO 50 N -3.92 4.38 0.00 0.00 0.02 -1.26 -4.94 135.00 129.29 1sou s PRO 50 Ca 0.00 2.05 0.00 0.00 0.02 0.00 0.00 61.00 63.07 1sou s PRO 50 Cb 0.00 -3.04 0.00 0.00 0.02 0.00 0.00 34.50 31.48 1sou s PRO 50 CO 0.00 -0.10 0.00 0.44 -0.33 0.00 0.00 177.00 177.01 1sou n ILE 51 N 0.79 0.00 0.00 2.83 -5.35 -1.26 -4.88 119.36 111.49 1sou n ILE 51 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.48 1sou n ILE 51 Cb 0.43 -0.50 0.00 0.00 -1.74 0.00 0.00 39.64 37.83 1sou n ILE 51 CO 0.00 0.00 0.00 1.17 -1.76 0.00 0.00 176.55 175.96 1sou n LYS 52 N -1.57 1.33 0.00 6.28 3.00 -1.26 -5.08 118.16 120.87 1sou n LYS 52 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1sou n LYS 52 Cb 0.30 -0.89 0.00 0.00 0.00 0.00 0.00 35.03 34.44 1sou n LYS 52 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1sou n GLY 53 N 2.80 1.00 0.00 3.14 0.00 -1.26 -4.95 105.19 105.92 1sou n GLY 53 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.95 1sou n GLY 53 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1sou n GLU 54 N 0.00 0.00 -4.14 1.61 0.00 -1.26 -4.46 120.64 112.39 1sou n GLU 54 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 57.16 56.97 1sou n GLU 54 Cb 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 31.44 31.28 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 0.00 0.47 -0.80 3.84 1.01 -1.26 -4.86 120.40 118.80 1sou s VAL 55 Ca 0.00 -0.11 -0.26 0.00 0.00 0.00 0.00 61.98 61.61 1sou s VAL 55 Cb 0.00 -0.49 0.02 0.00 0.00 0.00 0.00 36.38 35.91 1sou s VAL 55 CO 0.00 0.20 1.48 -0.62 0.00 0.00 0.00 175.10 176.16 1sou s ASP 56 N 0.73 6.00 -0.06 3.32 2.15 -1.26 -4.68 116.67 122.87 1sou s ASP 56 Ca -0.09 -0.59 0.12 0.00 0.43 0.00 0.00 52.55 52.42 1sou s ASP 56 Cb -0.12 -2.56 0.34 0.00 -0.30 0.00 0.00 42.92 40.27 1sou s ASP 56 CO -0.00 -1.93 1.27 0.18 -0.17 0.00 0.00 175.17 174.51 1sou n LEU 57 N 10.26 3.07 -0.11 -1.34 4.77 -1.26 -4.74 117.00 127.65 1sou n LEU 57 Ca 0.17 -2.38 -0.11 0.00 -0.03 0.00 0.00 56.01 53.66 1sou n LEU 57 Cb 0.50 -0.31 -0.03 0.00 -2.33 0.00 0.00 43.42 41.25 1sou n LEU 57 CO 0.69 0.68 0.77 0.74 -1.33 0.00 0.00 177.39 178.94 1sou h THR 58 N 1.58 1.26 0.00 -5.08 2.02 -2.02 -2.43 112.91 108.24 1sou h THR 58 Ca 0.00 -0.97 0.00 0.00 0.77 0.00 0.00 66.41 66.21 1sou h THR 58 Cb 0.94 1.27 0.00 0.00 -1.74 0.00 0.00 68.15 68.61 1sou h THR 58 CO 0.07 0.32 0.00 -0.81 0.37 0.00 0.00 175.52 175.46 1sou n PRO 59 N -4.54 0.40 0.06 6.66 -0.04 -1.26 -2.03 135.00 134.24 1sou n PRO 59 Ca -0.02 0.03 0.11 0.00 -0.04 0.00 0.00 63.50 63.58 1sou n PRO 59 Cb 0.27 -1.50 0.02 0.00 -0.04 0.00 0.00 33.50 32.25 1sou n PRO 59 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 1sou n LEU 60 N -1.05 0.66 -0.11 1.53 7.94 -0.92 -4.34 117.00 120.71 1sou n LEU 60 Ca 0.10 0.16 -0.05 0.00 -1.11 0.00 0.00 56.01 55.11 1sou n LEU 60 Cb 0.06 -0.09 0.01 0.00 0.53 0.00 0.00 43.42 43.93 1sou n LEU 60 CO 0.08 -0.07 0.74 -0.26 -1.11 0.00 0.00 177.39 176.78 1sou h PHE 61 N 0.00 -0.41 -0.87 1.96 -1.00 -1.47 0.38 116.94 115.53 1sou h PHE 61 Ca 0.00 0.04 0.07 0.00 2.81 0.00 0.00 57.97 60.89 1sou h PHE 61 Cb 0.86 0.24 -0.07 0.00 3.61 0.00 0.00 35.95 40.60 1sou h PHE 61 CO 0.00 -0.25 0.54 -1.00 -1.61 0.00 0.00 178.31 175.99 1sou h PRO 62 N -0.09 0.93 -0.38 1.51 0.13 -1.81 -0.91 132.00 131.38 1sou h PRO 62 Ca 0.19 -0.06 -0.09 0.00 -0.87 0.00 0.00 66.00 65.17 1sou h PRO 62 Cb 0.39 -0.21 -0.02 0.00 0.13 0.00 0.00 31.00 31.29 1sou h PRO 62 CO -0.45 0.61 -0.14 0.93 -0.23 0.00 0.00 178.00 178.73 1sou h GLU 63 N 0.96 0.68 -0.54 0.86 5.08 -1.53 -2.24 114.58 117.85 1sou h GLU 63 Ca 0.39 -0.23 -0.07 0.00 -1.00 0.00 0.00 59.36 58.45 1sou h GLU 63 Cb 0.23 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 1sou h GLU 63 CO -0.19 0.79 0.06 0.28 -1.00 0.00 0.00 179.01 178.95 1sou h VAL 64 N 0.62 1.26 0.00 3.13 2.07 -0.28 -2.19 116.25 120.85 1sou h VAL 64 Ca 0.10 -1.01 0.00 0.00 0.82 0.00 0.00 66.70 66.62 1sou h VAL 64 Cb 0.59 0.85 0.00 0.00 -1.52 0.00 0.00 31.29 31.21 1sou h VAL 64 CO 0.04 0.36 0.00 0.18 0.02 0.00 0.00 177.57 178.17 1sou n LEU 65 N -4.33 0.56 -0.04 2.57 4.77 -0.41 -0.41 117.00 119.70 1sou n LEU 65 Ca 0.02 0.68 -0.01 0.00 -0.03 0.00 0.00 56.01 56.67 1sou n LEU 65 Cb 0.28 -0.65 -0.00 0.00 -2.33 0.00 0.00 43.42 40.72 1sou n LEU 65 CO 0.42 -0.67 -0.06 0.50 -1.33 0.00 0.00 177.39 176.25 1sou h LYS 66 N 0.00 0.00 0.00 3.23 3.64 -0.83 -3.42 116.57 119.19 1sou h LYS 66 Ca 0.00 0.00 -0.30 0.00 -1.27 0.00 0.00 60.65 59.08 1sou h LYS 66 Cb 0.22 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 31.99 1sou h LYS 66 CO 0.00 0.00 -1.89 0.39 -2.27 0.00 0.00 179.45 175.68 1sou n GLU 67 N -4.23 0.65 -3.20 1.90 1.02 -1.04 -5.02 120.64 110.72 1sou n GLU 67 Ca -0.01 0.20 -0.14 0.00 -0.02 0.00 0.00 57.16 57.19 1sou n GLU 67 Cb 0.05 -1.72 -0.03 0.00 -0.02 0.00 0.00 31.44 29.72 1sou n GLU 67 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1sou n LYS 68 N -2.95 1.15 -3.84 3.49 4.76 0.45 -5.04 118.16 116.18 1sou n LYS 68 Ca -0.21 -1.68 -0.35 0.00 -2.87 0.00 0.00 58.31 53.20 1sou n LYS 68 Cb 1.07 0.64 -0.09 0.00 -1.84 0.00 0.00 35.03 34.80 1sou n LYS 68 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 1sou s GLU 69 N -2.80 4.03 -0.39 1.97 0.41 0.49 -4.39 118.70 118.01 1sou s GLU 69 Ca 0.04 -0.30 -0.21 0.00 -0.41 0.00 0.00 54.97 54.09 1sou s GLU 69 Cb 0.00 -3.35 0.01 0.00 -1.78 0.00 0.00 34.13 29.02 1sou s GLU 69 CO 0.03 0.20 0.64 -1.17 -0.49 0.00 0.00 175.26 174.48 1sou s LEU 70 N 0.60 4.35 -0.31 1.80 2.96 -0.89 -0.46 118.68 126.73 1sou s LEU 70 Ca 0.05 -0.06 -0.13 0.00 -0.22 0.00 0.00 54.13 53.77 1sou s LEU 70 Cb -0.12 -2.77 -0.03 0.00 0.50 0.00 0.00 46.19 43.77 1sou s LEU 70 CO 0.01 -0.68 0.28 -0.63 -1.32 0.00 0.00 176.35 174.01 1sou s ILE 71 N 2.77 5.24 -0.07 6.68 1.01 -0.04 -0.38 121.20 136.41 1sou s ILE 71 Ca 0.24 0.12 0.05 0.00 0.00 0.00 0.00 60.65 61.06 1sou s ILE 71 Cb -0.14 -3.68 -0.01 0.00 0.01 0.00 0.00 42.46 38.63 1sou s ILE 71 CO 0.17 0.08 -0.23 -0.76 0.00 0.00 0.00 174.94 174.20 1sou s LEU 72 N 1.88 2.19 -0.18 2.97 1.43 -1.03 -2.15 118.68 123.79 1sou s LEU 72 Ca 0.10 -0.48 -0.25 0.00 -1.03 0.00 0.00 54.13 52.46 1sou s LEU 72 Cb -0.16 -1.42 -0.01 0.00 0.03 0.00 0.00 46.19 44.62 1sou s LEU 72 CO 0.11 0.23 0.84 -2.16 0.23 0.00 0.00 176.35 175.59 1sou s PRO 73 N -0.05 4.29 -0.47 1.29 0.04 -1.26 -1.62 135.00 137.22 1sou s PRO 73 Ca -0.07 1.02 -0.11 0.00 0.04 0.00 0.00 61.00 61.89 1sou s PRO 73 Cb -0.15 -3.58 0.11 0.00 0.04 0.00 0.00 34.50 30.92 1sou s PRO 73 CO 0.05 -0.36 0.35 0.21 0.04 0.00 0.00 177.00 177.29 1sou s LYS 74 N 2.25 2.61 -0.92 4.56 2.20 0.44 -4.90 119.74 125.97 1sou s LYS 74 Ca 0.38 -1.66 -0.23 0.00 -0.36 0.00 0.00 55.97 54.10 1sou s LYS 74 Cb -0.16 -3.96 0.06 0.00 -1.51 0.00 0.00 37.83 32.26 1sou s LYS 74 CO 0.12 -1.15 1.33 0.08 -0.36 0.00 0.00 175.35 175.37 1sou s VAL 75 N 1.43 4.04 -0.44 4.02 1.01 -1.26 -0.62 120.40 128.58 1sou s VAL 75 Ca 0.05 -0.63 -0.14 0.00 0.00 0.00 0.00 61.98 61.25 1sou s VAL 75 Cb -0.26 -4.96 0.05 0.00 0.00 0.00 0.00 36.38 31.22 1sou s VAL 75 CO 0.01 -1.82 0.33 -0.70 0.00 0.00 0.00 175.10 172.92 1sou s GLU 76 N 4.69 2.92 2.19 2.72 2.12 -0.29 -4.79 118.70 128.26 1sou s GLU 76 Ca 0.40 -1.23 0.00 0.00 0.36 0.00 0.00 54.97 54.49 1sou s GLU 76 Cb -0.04 -4.01 0.00 0.00 0.26 0.00 0.00 34.13 30.35 1sou s GLU 76 CO -0.03 -0.90 0.00 0.41 -0.54 0.00 0.00 175.26 174.19 1sou n GLY 77 N 5.14 1.87 0.08 -1.50 0.00 -1.26 -1.81 105.19 107.70 1sou n GLY 77 Ca -0.12 0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1sou n GLY 77 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1sou n ASN 78 N 5.61 0.00 -4.59 1.61 6.94 -1.26 -5.07 115.26 118.50 1sou n ASN 78 Ca 0.00 -1.12 -0.38 0.00 -0.02 0.00 0.00 54.58 53.06 1sou n ASN 78 Cb 0.00 -0.02 -0.11 0.00 -2.36 0.00 0.00 39.78 37.29 1sou n ASN 78 CO 0.00 0.00 0.00 -1.61 -1.03 0.00 0.00 177.26 174.62 1sou s GLU 79 N 0.00 3.95 -0.69 -3.83 8.01 -0.75 -5.04 118.70 120.35 1sou s GLU 79 Ca 0.00 -0.32 -0.24 0.00 0.01 0.00 0.00 54.97 54.42 1sou s GLU 79 Cb 0.00 -3.64 0.06 0.00 -4.31 0.00 0.00 34.13 26.24 1sou s GLU 79 CO 0.00 -0.16 1.09 0.42 0.01 0.00 0.00 175.26 176.62 1sou s ILE 80 N 1.68 4.10 -0.39 -1.63 1.01 -1.26 -1.14 121.20 123.57 1sou s ILE 80 Ca 0.07 -0.09 -0.17 0.00 0.00 0.00 0.00 60.65 60.46 1sou s ILE 80 Cb -0.16 -4.78 0.01 0.00 0.01 0.00 0.00 42.46 37.55 1sou s ILE 80 CO 0.10 -1.61 0.45 -0.44 0.00 0.00 0.00 174.94 173.44 1sou s SER 81 N 3.71 6.22 0.03 3.58 0.01 0.21 -4.85 113.70 122.61 1sou s SER 81 Ca 0.27 -0.44 -0.30 0.00 1.31 0.00 0.00 55.95 56.79 1sou s SER 81 Cb -0.13 -2.23 -0.04 0.00 0.21 0.00 0.00 66.02 63.83 1sou s SER 81 CO 0.12 -0.52 0.99 -0.76 0.41 0.00 0.00 173.24 173.47 1sou s LEU 82 N 2.20 4.40 0.05 2.44 1.43 -1.26 -0.42 118.68 127.52 1sou s LEU 82 Ca 0.14 1.71 0.08 0.00 -1.03 0.00 0.00 54.13 55.04 1sou s LEU 82 Cb -0.16 -3.58 -0.03 0.00 0.03 0.00 0.00 46.19 42.45 1sou s LEU 82 CO 0.13 -0.22 -0.24 -0.31 0.23 0.00 0.00 176.35 175.94 1sou s TYR 83 N 0.76 2.09 -0.72 0.29 2.02 -0.64 -0.41 117.35 120.74 1sou s TYR 83 Ca 0.51 -0.40 -0.20 0.00 -0.37 0.00 0.00 57.07 56.61 1sou s TYR 83 Cb -0.22 -1.24 0.10 0.00 -0.40 0.00 0.00 41.96 40.20 1sou s TYR 83 CO 0.29 0.12 0.94 0.50 -1.57 0.00 0.00 175.55 175.82 1sou s ARG 84 N -1.26 3.25 -0.25 -0.62 3.52 0.55 -2.45 118.95 121.69 1sou s ARG 84 Ca 0.10 -1.28 -0.16 0.00 -0.13 0.00 0.00 55.73 54.26 1sou s ARG 84 Cb -0.09 -4.44 -0.04 0.00 -1.56 0.00 0.00 34.95 28.82 1sou s ARG 84 CO 0.02 -1.72 0.41 0.08 -0.81 0.00 0.00 175.30 173.28 1sou s VAL 85 N 3.18 5.16 -0.01 7.11 1.01 0.49 -3.39 120.40 133.94 1sou s VAL 85 Ca 0.22 0.67 0.02 0.00 0.00 0.00 0.00 61.98 62.89 1sou s VAL 85 Cb -0.15 -3.73 0.03 0.00 0.00 0.00 0.00 36.38 32.53 1sou s VAL 85 CO 0.03 0.17 0.86 1.57 0.00 0.00 0.00 175.10 177.73 1sou n HIS 86 N 5.14 0.00 -4.09 5.22 -0.00 -1.26 -2.09 115.22 118.14 1sou n HIS 86 Ca -0.08 -0.15 -0.32 0.00 -0.00 0.00 0.00 57.72 57.18 1sou n HIS 86 Cb 0.51 -0.05 -0.16 0.00 -0.00 0.00 0.00 29.99 30.29 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 -0.91 3.00 0.00 0.26 0.15 -1.26 -4.99 113.70 109.95 1sou s SER 87 Ca 0.04 -0.60 0.19 0.00 0.70 0.00 0.00 55.95 56.27 1sou s SER 87 Cb 0.03 -1.39 0.86 0.00 -1.71 0.00 0.00 66.02 63.81 1sou s SER 87 CO 0.00 -0.02 1.61 -0.81 1.20 0.00 0.00 173.24 175.22 1sou n PRO 88 N 4.66 0.09 -0.29 5.44 -0.04 -1.26 -2.73 135.00 140.88 1sou n PRO 88 Ca -0.20 0.15 0.06 0.00 -0.04 0.00 0.00 63.50 63.47 1sou n PRO 88 Cb 0.50 -1.50 0.20 0.00 -0.04 0.00 0.00 33.50 32.66 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 -1.43 2.64 -1.78 0.55 0.00 -1.26 -4.84 120.51 114.39 1sou n ALA 89 Ca 0.06 -0.83 0.00 0.00 0.00 0.00 0.00 53.44 52.67 1sou n ALA 89 Cb 0.20 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 18.66 1sou n ALA 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1sou n LEU 91 N 0.00 -5.54 -3.85 0.00 4.77 -1.26 -4.93 117.00 106.18 1sou n LEU 91 Ca 0.00 2.37 -0.20 0.00 -0.03 0.00 0.00 56.01 58.14 1sou n LEU 91 Cb 0.00 -2.76 -0.17 0.00 -2.33 0.00 0.00 43.42 38.16 1sou n LEU 91 CO 0.00 -2.02 -0.40 -0.83 -1.33 0.00 0.00 177.39 172.81 1sou s GLY 92 N -0.45 0.44 -0.47 -0.72 0.00 0.70 -4.89 107.32 101.92 1sou s GLY 92 Ca 0.00 -0.06 -0.29 0.00 0.00 0.00 0.00 44.72 44.37 1sou s GLY 92 CO 0.00 0.64 1.13 0.14 0.00 0.00 0.00 173.10 175.01 1sou s VAL 93 N 1.20 4.22 0.00 1.40 1.01 -1.26 0.56 120.40 127.54 1sou s VAL 93 Ca -0.07 1.22 0.00 0.00 0.00 0.00 0.00 61.98 63.13 1sou s VAL 93 Cb -0.14 -4.60 0.00 0.00 0.00 0.00 0.00 36.38 31.65 1sou s VAL 93 CO -0.02 -1.00 0.00 0.61 0.00 0.00 0.00 175.10 174.70 1sou n GLY 94 N 4.83 1.57 3.70 4.51 0.00 -1.01 -4.97 105.19 113.83 1sou n GLY 94 Ca 0.12 -0.20 -0.42 0.00 0.00 0.00 0.00 46.02 45.52 1sou n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sou s ALA 95 N -2.00 3.85 0.00 4.61 0.00 -1.26 -2.92 121.76 124.04 1sou s ALA 95 Ca 0.00 1.53 0.00 0.00 0.00 0.00 0.00 51.96 53.49 1sou s ALA 95 Cb 0.00 -3.74 0.00 0.00 0.00 0.00 0.00 23.12 19.38 1sou s ALA 95 CO 0.00 -1.11 0.00 0.34 0.00 0.00 0.00 175.76 174.99 1sou n PHE 96 N 4.98 0.00 0.00 0.00 7.35 -1.26 -2.31 117.46 126.22 1sou n PHE 96 Ca 0.17 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.86 1sou n PHE 96 Cb 0.37 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.20 1sou n PHE 96 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1sou n GLY 97 N 0.00 0.24 3.97 7.13 0.00 -1.15 -5.15 105.19 110.24 1sou n GLY 97 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.99 2.44 -0.59 -0.61 -4.36 -0.98 -4.80 121.20 111.30 1sou s ILE 98 Ca 0.00 -0.57 -0.20 0.00 -0.26 0.00 0.00 60.65 59.63 1sou s ILE 98 Cb 0.00 -2.87 0.09 0.00 1.25 0.00 0.00 42.46 40.93 1sou s ILE 98 CO 0.00 0.00 0.74 -0.04 0.24 0.00 0.00 174.94 175.88 1sou s MET 99 N -4.97 3.07 -0.00 0.37 -1.94 -1.26 -2.41 119.30 112.16 1sou s MET 99 Ca 0.61 -1.17 -0.25 0.00 -1.71 0.00 0.00 55.69 53.16 1sou s MET 99 Cb -0.09 -4.24 -0.04 0.00 2.01 0.00 0.00 34.83 32.47 1sou s MET 99 CO 0.41 -1.55 0.77 -1.21 -0.01 0.00 0.00 175.02 173.43 1sou s GLU 100 N 2.94 4.48 -0.16 2.03 2.02 0.19 -4.67 118.70 125.53 1sou s GLU 100 Ca 0.14 1.04 -0.29 0.00 0.02 0.00 0.00 54.97 55.88 1sou s GLU 100 Cb -0.22 -3.41 -0.05 0.00 0.10 0.00 0.00 34.13 30.55 1sou s GLU 100 CO 0.08 0.16 1.91 -2.14 0.02 0.00 0.00 175.26 175.29 1sou s PRO 101 N 0.39 3.63 0.18 0.39 0.02 -1.26 -0.21 135.00 138.13 1sou s PRO 101 Ca 0.40 2.00 0.23 0.00 0.02 0.00 0.00 61.00 63.65 1sou s PRO 101 Cb -0.20 -4.19 0.17 0.00 0.02 0.00 0.00 34.50 30.31 1sou s PRO 101 CO 0.22 -1.51 1.20 -0.39 -0.33 0.00 0.00 177.00 176.18 1sou h VAL 102 N 6.39 0.00 -3.19 3.83 -1.51 -1.91 -3.47 116.25 116.38 1sou h VAL 102 Ca -0.40 -0.77 -0.12 0.00 -1.23 0.00 0.00 66.70 64.18 1sou h VAL 102 Cb 1.20 1.33 -0.20 0.00 -2.13 0.00 0.00 31.29 31.49 1sou h VAL 102 CO 0.98 0.00 -0.34 -1.83 -1.23 0.00 0.00 177.57 175.15 1sou s GLU 103 N -3.27 0.62 0.00 5.19 -1.05 -1.26 -5.08 118.70 113.86 1sou s GLU 103 Ca 0.03 -0.28 0.00 0.00 -0.15 0.00 0.00 54.97 54.57 1sou s GLU 103 Cb 0.11 0.27 0.00 0.00 -0.44 0.00 0.00 34.13 34.07 1sou s GLU 103 CO 0.75 -0.17 0.00 0.41 0.95 0.00 0.00 175.26 177.21 1sou n GLY 104 N 1.28 0.44 3.68 -3.83 0.00 -1.26 -4.86 105.19 100.64 1sou n GLY 104 Ca -0.22 -1.56 -0.23 0.00 0.00 0.00 0.00 46.02 44.01 1sou n GLY 104 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1sou s GLU 105 N -2.00 2.34 -0.15 1.61 2.12 -1.22 -4.92 118.70 116.47 1sou s GLU 105 Ca 0.00 -1.45 -0.21 0.00 0.36 0.00 0.00 54.97 53.67 1sou s GLU 105 Cb 0.00 -2.17 -0.03 0.00 0.26 0.00 0.00 34.13 32.19 1sou s GLU 105 CO 0.00 0.29 0.61 0.50 -0.54 0.00 0.00 175.26 176.11 1sou s ARG 106 N -3.73 4.28 -0.14 4.30 3.52 -1.26 -0.33 118.95 125.59 1sou s ARG 106 Ca 0.33 0.63 -0.15 0.00 -0.13 0.00 0.00 55.73 56.41 1sou s ARG 106 Cb -0.05 -3.52 -0.05 0.00 -1.56 0.00 0.00 34.95 29.77 1sou s ARG 106 CO 0.21 -0.09 0.36 0.08 -0.81 0.00 0.00 175.30 175.04 1sou s VAL 107 N 1.41 5.25 0.18 7.11 1.01 0.45 -4.85 120.40 130.98 1sou s VAL 107 Ca 0.30 0.70 -0.03 0.00 0.00 0.00 0.00 61.98 62.94 1sou s VAL 107 Cb -0.16 -3.70 -0.05 0.00 0.00 0.00 0.00 36.38 32.47 1sou s VAL 107 CO 0.12 0.38 0.40 0.20 0.00 0.00 0.00 175.10 176.20 1sou s ASN 108 N 0.43 6.44 0.62 3.32 -0.87 -1.26 -4.36 114.94 119.25 1sou s ASN 108 Ca 0.20 0.53 0.31 0.00 -1.57 0.00 0.00 52.86 52.33 1sou s ASN 108 Cb -0.14 -2.06 1.71 0.00 -0.02 0.00 0.00 41.25 40.74 1sou s ASN 108 CO 0.06 -0.01 2.06 -0.65 -2.57 0.00 0.00 177.10 175.99 1sou h PRO 109 N 2.39 0.00 0.00 -0.60 0.11 -1.98 0.12 132.00 132.03 1sou h PRO 109 Ca -0.47 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.63 1sou h PRO 109 Cb 1.18 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.28 1sou h PRO 109 CO 0.70 0.00 -0.07 1.49 -0.21 0.00 0.00 178.00 179.91 1sou h GLU 110 N 0.00 0.00 -0.01 1.05 4.22 -1.97 -2.70 114.58 115.16 1sou h GLU 110 Ca 0.08 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.52 1sou h GLU 110 Cb 0.59 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.84 1sou h GLU 110 CO -0.00 0.07 -0.25 -3.47 -2.18 0.00 0.00 179.01 173.18 1sou n ASP 111 N -3.31 1.70 -4.62 1.04 -0.08 0.42 -4.89 116.55 106.83 1sou n ASP 111 Ca -0.01 -1.35 -0.43 0.00 -1.51 0.00 0.00 54.79 51.49 1sou n ASP 111 Cb 0.25 0.21 -0.02 0.00 2.34 0.00 0.00 41.12 43.89 1sou n ASP 111 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 1sou s VAL 112 N -2.34 3.72 -0.14 5.18 1.01 -1.02 -4.82 120.40 121.99 1sou s VAL 112 Ca 0.25 0.78 -0.10 0.00 0.00 0.00 0.00 61.98 62.92 1sou s VAL 112 Cb 0.19 -3.84 -0.03 0.00 0.00 0.00 0.00 36.38 32.70 1sou s VAL 112 CO 0.48 -0.44 -0.19 0.47 0.00 0.00 0.00 175.10 175.42 1sou n ASP 113 N 8.91 1.78 -3.98 3.32 9.92 -1.24 -4.31 116.55 130.96 1sou n ASP 113 Ca 0.19 0.61 -0.17 0.00 -0.53 0.00 0.00 54.79 54.89 1sou n ASP 113 Cb 0.46 -0.86 -0.15 0.00 -0.64 0.00 0.00 41.12 39.94 1sou n ASP 113 CO 0.00 0.00 0.00 0.12 0.13 0.00 0.00 177.20 177.45 1sou s PHE 114 N -2.26 0.60 -0.00 1.24 2.19 0.17 -1.12 117.98 118.80 1sou s PHE 114 Ca -0.15 -0.12 0.00 0.00 0.33 0.00 0.00 56.93 56.99 1sou s PHE 114 Cb 0.02 -0.40 0.00 0.00 -1.31 0.00 0.00 43.02 41.34 1sou s PHE 114 CO 0.23 -0.02 -0.01 -1.50 1.83 0.00 0.00 175.22 175.75 1sou s ILE 115 N -0.12 0.11 -0.29 3.12 2.07 -0.42 -0.40 121.20 125.28 1sou s ILE 115 Ca 0.02 -0.04 -0.02 0.00 -1.41 0.00 0.00 60.65 59.20 1sou s ILE 115 Cb -0.03 -0.11 0.04 0.00 0.13 0.00 0.00 42.46 42.49 1sou s ILE 115 CO -0.00 0.04 -0.01 0.00 -1.91 0.00 0.00 174.94 173.05 1sou s ALA 116 N 0.05 2.79 -0.29 1.50 0.00 0.42 -0.88 121.76 125.36 1sou s ALA 116 Ca -0.00 -1.66 0.01 0.00 0.00 0.00 0.00 51.96 50.31 1sou s ALA 116 Cb -0.02 -1.88 0.06 0.00 0.00 0.00 0.00 23.12 21.29 1sou s ALA 116 CO -0.00 -1.13 -0.04 0.08 0.00 0.00 0.00 175.76 174.66 1sou s VAL 117 N 1.29 2.51 -1.52 0.00 1.01 0.45 -2.25 120.40 121.88 1sou s VAL 117 Ca -0.03 -1.64 -0.10 0.00 0.00 0.00 0.00 61.98 60.21 1sou s VAL 117 Cb -0.19 -2.51 -0.01 0.00 0.00 0.00 0.00 36.38 33.67 1sou s VAL 117 CO -0.02 -0.14 2.65 -0.81 0.00 0.00 0.00 175.10 176.79 1sou n PRO 118 N 4.49 3.66 -0.76 2.72 -0.05 -1.26 -2.28 135.00 141.52 1sou n PRO 118 Ca -0.11 -2.56 -0.28 0.00 -0.05 0.00 0.00 63.50 60.49 1sou n PRO 118 Cb 0.42 -2.88 0.23 0.00 -0.05 0.00 0.00 33.50 31.21 1sou n PRO 118 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 175.50 175.65 1sou s GLY 119 N 2.02 1.55 -0.51 0.55 0.00 -1.26 -4.89 107.32 104.79 1sou s GLY 119 Ca 0.61 -0.19 -0.23 0.00 0.00 0.00 0.00 44.72 44.91 1sou s GLY 119 CO -0.07 0.49 0.84 0.14 0.00 0.00 0.00 173.10 174.50 1sou s VAL 120 N -2.63 4.56 0.18 1.40 1.01 -1.26 -4.83 120.40 118.83 1sou s VAL 120 Ca 0.67 0.22 0.00 0.00 0.00 0.00 0.00 61.98 62.88 1sou s VAL 120 Cb -0.23 -4.42 0.00 0.00 0.00 0.00 0.00 36.38 31.73 1sou s VAL 120 CO 0.62 -0.92 0.00 0.00 0.00 0.00 0.00 175.10 174.80 1sou n ALA 121 N 6.99 -2.29 -2.26 5.51 0.00 -1.26 -2.33 120.51 124.87 1sou n ALA 121 Ca 0.01 0.20 -0.14 0.00 0.00 0.00 0.00 53.44 53.51 1sou n ALA 121 Cb 0.47 -0.90 -0.10 0.00 0.00 0.00 0.00 19.45 18.92 1sou n ALA 121 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1sou s PHE 122 N -1.83 1.29 0.34 0.00 0.08 -0.56 -3.56 117.98 113.74 1sou s PHE 122 Ca 0.00 -1.03 0.05 0.00 0.12 0.00 0.00 56.93 56.07 1sou s PHE 122 Cb 0.00 -0.74 -0.02 0.00 -0.57 0.00 0.00 43.02 41.69 1sou s PHE 122 CO 0.00 -0.21 0.19 -0.40 -0.10 0.00 0.00 175.22 174.70 1sou n ASP 123 N -0.29 0.32 0.07 1.36 5.75 -1.22 -0.39 116.55 122.14 1sou n ASP 123 Ca -0.05 -2.98 0.11 0.00 -0.01 0.00 0.00 54.79 51.86 1sou n ASP 123 Cb 0.64 1.21 0.45 0.00 -1.03 0.00 0.00 41.12 42.39 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 0.42 0.08 -2.12 4.77 -0.86 -2.53 117.00 116.76 1sou n LEU 124 Ca 0.01 0.57 -0.22 0.00 -0.03 0.00 0.00 56.01 56.33 1sou n LEU 124 Cb 0.55 -0.48 -0.15 0.00 -2.33 0.00 0.00 43.42 41.01 1sou n LEU 124 CO 0.29 -0.29 -0.23 -0.08 -1.33 0.00 0.00 177.39 175.75 1sou h GLU 125 N 0.00 0.39 0.00 3.23 4.57 -1.91 -3.49 114.58 117.37 1sou h GLU 125 Ca 0.00 -0.66 0.00 0.00 -1.18 0.00 0.00 59.36 57.52 1sou h GLU 125 Cb 0.46 0.25 0.00 0.00 -0.16 0.00 0.00 28.75 29.30 1sou h GLU 125 CO 0.00 1.32 0.00 0.41 -1.18 0.00 0.00 179.01 179.56 1sou n GLY 126 N 1.73 1.98 2.58 1.92 0.00 -1.05 -4.94 105.19 107.41 1sou n GLY 126 Ca -0.19 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.70 1sou n GLY 126 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1sou n TYR 127 N -0.07 -2.31 -4.14 1.61 4.02 -1.26 -0.41 117.16 114.60 1sou n TYR 127 Ca 0.00 -1.42 -0.06 0.00 -0.01 0.00 0.00 57.90 56.41 1sou n TYR 127 Cb 0.00 -0.36 -0.01 0.00 -0.02 0.00 0.00 39.34 38.95 1sou n TYR 127 CO 0.00 0.00 0.00 2.89 -1.01 0.00 0.00 176.86 178.74 1sou n ARG 128 N -1.77 1.58 -4.98 -0.72 1.85 -1.26 -3.43 116.66 107.93 1sou n ARG 128 Ca 0.09 -0.70 -0.30 0.00 -1.00 0.00 0.00 57.85 55.94 1sou n ARG 128 Cb 0.40 0.23 -0.15 0.00 -1.05 0.00 0.00 32.46 31.89 1sou n ARG 128 CO 0.00 0.00 0.00 -1.17 -0.01 0.00 0.00 177.63 176.45 1sou s LEU 129 N 0.00 2.13 -0.49 2.89 2.96 -0.98 -4.85 118.68 120.34 1sou s LEU 129 Ca 0.01 -0.55 -0.27 0.00 -0.22 0.00 0.00 54.13 53.10 1sou s LEU 129 Cb 0.00 -1.26 -0.02 0.00 0.50 0.00 0.00 46.19 45.41 1sou s LEU 129 CO 0.01 0.26 1.85 -0.83 -1.32 0.00 0.00 176.35 176.32 1sou s GLY 130 N -1.05 0.41 0.20 7.98 0.00 -1.26 -4.79 107.32 108.81 1sou s GLY 130 Ca 0.11 -0.26 -0.04 0.00 0.00 0.00 0.00 44.72 44.53 1sou s GLY 130 CO 0.01 3.38 1.56 -2.75 0.00 0.00 0.00 173.10 175.30 1sou h PHE 131 N 14.30 0.78 0.00 1.90 3.57 -1.94 -3.44 116.94 132.10 1sou h PHE 131 Ca -0.29 -0.23 0.00 0.00 3.53 0.00 0.00 57.97 60.98 1sou h PHE 131 Cb 1.17 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 39.74 1sou h PHE 131 CO 1.00 0.95 0.00 0.41 -2.23 0.00 0.00 178.31 178.45 1sou n GLY 132 N 0.03 1.28 3.57 2.40 0.00 -1.26 -4.90 105.19 106.31 1sou n GLY 132 Ca -0.02 -1.00 -0.40 0.00 0.00 0.00 0.00 46.02 44.61 1sou n GLY 132 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sou s LYS 133 N 0.00 3.57 -0.33 1.61 1.02 -1.26 -4.34 119.74 120.01 1sou s LYS 133 Ca 0.00 -1.41 0.03 0.00 0.02 0.00 0.00 55.97 54.61 1sou s LYS 133 Cb 0.00 -5.40 0.12 0.00 -0.52 0.00 0.00 37.83 32.03 1sou s LYS 133 CO 0.00 -2.48 1.11 0.41 -0.92 0.00 0.00 175.35 173.47 1sou n GLY 134 N 6.19 -0.49 3.57 -3.33 0.00 -1.26 -5.08 105.19 104.79 1sou n GLY 134 Ca 0.41 0.01 -0.40 0.00 0.00 0.00 0.00 46.02 46.05 1sou n GLY 134 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1sou s TYR 135 N 0.05 2.55 -0.22 1.61 2.02 -1.26 -4.60 117.35 117.50 1sou s TYR 135 Ca 0.07 -1.01 0.16 0.00 -0.37 0.00 0.00 57.07 55.92 1sou s TYR 135 Cb 0.12 -4.61 0.58 0.00 -0.40 0.00 0.00 41.96 37.65 1sou s TYR 135 CO -0.03 -1.77 1.48 0.66 -1.57 0.00 0.00 175.55 174.32 1sou n TYR 136 N 9.61 1.15 -0.07 2.71 4.01 -1.26 -4.66 117.16 128.64 1sou n TYR 136 Ca 0.43 -0.84 0.06 0.00 -0.16 0.00 0.00 57.90 57.39 1sou n TYR 136 Cb 0.48 -0.34 0.41 0.00 -0.31 0.00 0.00 39.34 39.57 1sou n TYR 136 CO 0.00 0.00 0.00 -0.44 -0.46 0.00 0.00 176.86 175.96 1sou h ASP 137 N 2.23 0.52 -0.67 7.72 5.19 -1.99 -1.45 116.42 127.97 1sou h ASP 137 Ca 0.00 -0.01 0.11 0.00 -0.62 0.00 0.00 57.03 56.51 1sou h ASP 137 Cb 1.53 -0.12 -0.04 0.00 0.18 0.00 0.00 39.33 40.88 1sou h ASP 137 CO 0.27 0.36 0.45 -0.09 -3.12 0.00 0.00 179.24 177.11 1sou h ARG 138 N 0.61 0.47 0.00 3.56 9.65 -1.99 -1.03 114.38 125.64 1sou h ARG 138 Ca 0.22 -0.03 -0.07 0.00 -1.10 0.00 0.00 59.98 59.01 1sou h ARG 138 Cb 0.12 -0.11 -0.01 0.00 -1.39 0.00 0.00 29.97 28.58 1sou h ARG 138 CO -0.06 0.31 -0.45 1.25 2.80 0.00 0.00 179.97 183.82 1sou h LEU 139 N 0.48 0.00 -1.15 3.80 5.85 -1.66 -3.37 115.31 119.26 1sou h LEU 139 Ca 0.32 -0.45 0.07 0.00 0.84 0.00 0.00 57.88 58.65 1sou h LEU 139 Cb 0.58 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 41.55 1sou h LEU 139 CO -0.10 0.98 0.59 -0.07 -0.34 0.00 0.00 178.44 179.50 1sou h LEU 140 N -1.00 0.90 -0.51 2.25 3.38 -1.18 -0.03 115.31 119.12 1sou h LEU 140 Ca -0.10 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1sou h LEU 140 Cb 0.77 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.34 1sou h LEU 140 CO -0.06 0.57 0.00 0.50 0.09 0.00 0.00 178.44 179.54 1sou h LYS 141 N 1.02 0.00 -0.01 1.13 1.63 -1.40 -2.92 116.57 116.02 1sou h LYS 141 Ca 0.39 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.19 1sou h LYS 141 Cb 0.21 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.84 1sou h LYS 141 CO -0.15 0.00 -0.24 0.54 -3.45 0.00 0.00 179.45 176.15 1sou n ARG 142 N -2.44 1.90 -2.03 1.90 1.74 -0.18 -4.90 116.66 112.66 1sou n ARG 142 Ca 0.03 -0.69 -0.40 0.00 -0.77 0.00 0.00 57.85 56.01 1sou n ARG 142 Cb 0.33 -1.15 -0.03 0.00 -1.02 0.00 0.00 32.46 30.60 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 -1.51 3.43 -1.58 1.55 1.01 -0.31 -4.81 120.40 118.18 1sou s VAL 143 Ca 0.10 0.36 0.13 0.00 0.00 0.00 0.00 61.98 62.57 1sou s VAL 143 Cb 0.10 -3.81 0.44 0.00 0.00 0.00 0.00 36.38 33.11 1sou s VAL 143 CO 0.30 -0.67 1.33 2.29 0.00 0.00 0.00 175.10 178.34 1sou n LYS 144 N 8.80 2.49 -1.32 2.72 2.85 -1.26 -4.89 118.16 127.55 1sou n LYS 144 Ca 0.22 -1.78 -0.11 0.00 -1.05 0.00 0.00 58.31 55.59 1sou n LYS 144 Cb 0.50 -1.54 0.06 0.00 -0.65 0.00 0.00 35.03 33.40 1sou n LYS 144 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1sou n GLY 145 N 1.00 0.21 3.57 2.58 0.00 -1.26 -4.99 105.19 106.30 1sou n GLY 145 Ca 0.16 -1.91 -0.41 0.00 0.00 0.00 0.00 46.02 43.86 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 3.31 -0.61 0.99 1.98 -0.28 -4.95 118.68 119.13 1sou s LEU 146 Ca 0.30 -0.04 -0.23 0.00 -2.89 0.00 0.00 54.13 51.27 1sou s LEU 146 Cb -0.01 -2.86 0.05 0.00 0.66 0.00 0.00 46.19 44.03 1sou s LEU 146 CO 0.20 -1.74 0.96 -0.54 -1.89 0.00 0.00 176.35 173.34 1sou s LYS 147 N 5.54 3.21 -0.26 1.98 1.02 -1.26 -1.31 119.74 128.67 1sou s LYS 147 Ca 0.44 -0.55 -0.08 0.00 0.02 0.00 0.00 55.97 55.80 1sou s LYS 147 Cb -0.09 -4.14 -0.03 0.00 -0.52 0.00 0.00 37.83 33.05 1sou s LYS 147 CO 0.21 -1.66 0.10 0.08 -0.92 0.00 0.00 175.35 173.16 1sou s VAL 148 N 4.04 4.50 -0.01 3.17 1.01 -0.06 -1.02 120.40 132.03 1sou s VAL 148 Ca 0.26 -0.17 -0.18 0.00 0.00 0.00 0.00 61.98 61.90 1sou s VAL 148 Cb -0.15 -3.15 -0.06 0.00 0.00 0.00 0.00 36.38 33.03 1sou s VAL 148 CO 0.15 0.28 0.51 -0.83 0.00 0.00 0.00 175.10 175.21 1sou s GLY 149 N 1.64 2.54 -0.13 4.51 0.00 0.51 -0.41 107.32 115.98 1sou s GLY 149 Ca 0.06 -0.09 0.02 0.00 0.00 0.00 0.00 44.72 44.71 1sou s GLY 149 CO 0.05 0.52 -0.18 0.14 0.00 0.00 0.00 173.10 173.62 1sou s VAL 150 N -0.48 1.77 0.21 1.40 1.01 -0.96 -0.65 120.40 122.69 1sou s VAL 150 Ca 0.27 -0.80 -0.21 0.00 0.00 0.00 0.00 61.98 61.24 1sou s VAL 150 Cb -0.17 -1.60 0.05 0.00 0.00 0.00 0.00 36.38 34.66 1sou s VAL 150 CO 0.15 0.49 0.63 0.00 0.00 0.00 0.00 175.10 176.37 1sou s ALA 151 N 0.98 -1.36 0.88 5.51 0.00 -1.02 -4.15 121.76 122.60 1sou s ALA 151 Ca -0.05 0.10 -0.12 0.00 0.00 0.00 0.00 51.96 51.89 1sou s ALA 151 Cb -0.15 0.87 0.12 0.00 0.00 0.00 0.00 23.12 23.96 1sou s ALA 151 CO -0.03 -0.87 1.14 0.71 0.00 0.00 0.00 175.76 176.71 1sou s TYR 152 N -3.83 2.61 0.27 0.00 2.02 -1.26 -3.62 117.35 113.53 1sou s TYR 152 Ca 0.06 0.87 0.21 0.00 -0.37 0.00 0.00 57.07 57.84 1sou s TYR 152 Cb -0.03 -3.37 0.94 0.00 -0.40 0.00 0.00 41.96 39.11 1sou s TYR 152 CO -0.05 -2.22 1.86 1.03 -1.57 0.00 0.00 175.55 174.60 1sou h SER 153 N -1.39 0.00 0.42 2.29 0.87 -1.97 -2.07 113.55 111.70 1sou h SER 153 Ca -0.50 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.06 1sou h SER 153 Cb 1.32 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.28 1sou h SER 153 CO 0.62 0.28 0.00 0.49 -0.53 0.00 0.00 176.83 177.69 1sou n PHE 154 N -3.64 0.00 0.24 2.24 3.72 -1.26 -2.41 117.46 116.35 1sou n PHE 154 Ca -0.01 0.00 0.08 0.00 -0.05 0.00 0.00 57.45 57.47 1sou n PHE 154 Cb 0.40 -0.28 0.14 0.00 -0.94 0.00 0.00 39.48 38.80 1sou n PHE 154 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1sou n GLN 155 N -1.28 1.98 -3.61 -1.08 1.13 -0.78 -4.91 117.38 108.83 1sou n GLN 155 Ca 0.11 -1.86 -0.39 0.00 -1.94 0.00 0.00 57.00 52.92 1sou n GLN 155 Cb 0.18 -1.35 -0.11 0.00 0.11 0.00 0.00 30.24 29.07 1sou n GLN 155 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 1sou s VAL 156 N -1.19 4.78 0.58 5.09 1.01 -1.01 -1.49 120.40 128.17 1sou s VAL 156 Ca 0.26 -0.42 0.08 0.00 0.00 0.00 0.00 61.98 61.90 1sou s VAL 156 Cb 0.15 -3.47 0.08 0.00 0.00 0.00 0.00 36.38 33.15 1sou s VAL 156 CO 0.22 0.01 0.70 -0.36 0.00 0.00 0.00 175.10 175.66 1sou s PHE 157 N 1.64 1.31 -0.20 5.22 0.08 0.47 -4.99 117.98 121.51 1sou s PHE 157 Ca 0.05 -0.80 -0.21 0.00 0.12 0.00 0.00 56.93 56.09 1sou s PHE 157 Cb -0.17 -2.10 -0.18 0.00 -0.57 0.00 0.00 43.02 40.00 1sou s PHE 157 CO 0.07 -1.03 0.22 1.49 -0.10 0.00 0.00 175.22 175.87 1sou h GLU 158 N 0.30 0.00 -2.76 0.44 4.22 -1.93 -3.02 114.58 111.82 1sou h GLU 158 Ca -0.31 0.00 -0.16 0.00 0.08 0.00 0.00 59.36 58.97 1sou h GLU 158 Cb 1.30 0.00 -0.30 0.00 0.50 0.00 0.00 28.75 30.25 1sou h GLU 158 CO 0.45 0.91 -0.44 0.50 -2.18 0.00 0.00 179.01 178.25 1sou s ARG 159 N -2.34 0.25 0.23 1.92 6.06 -1.26 -2.03 118.95 121.78 1sou s ARG 159 Ca -0.27 0.79 0.05 0.00 -2.50 0.00 0.00 55.73 53.81 1sou s ARG 159 Cb 0.05 0.05 -0.03 0.00 0.06 0.00 0.00 34.95 35.08 1sou s ARG 159 CO 0.56 -0.23 0.31 -0.51 -2.50 0.00 0.00 175.30 172.93 1sou s LEU 160 N 2.08 4.21 -0.46 -0.88 1.43 -1.26 -5.03 118.68 118.77 1sou s LEU 160 Ca -0.03 0.02 -0.27 0.00 -1.03 0.00 0.00 54.13 52.82 1sou s LEU 160 Cb -0.11 -2.76 -0.04 0.00 0.03 0.00 0.00 46.19 43.31 1sou s LEU 160 CO -0.10 -0.04 2.09 -2.16 0.23 0.00 0.00 176.35 176.36 1sou s PRO 161 N -3.82 2.66 0.37 1.29 0.04 -1.26 -4.96 135.00 129.32 1sou s PRO 161 Ca 0.34 1.25 -0.01 0.00 0.04 0.00 0.00 61.00 62.62 1sou s PRO 161 Cb -0.09 -4.41 -0.04 0.00 0.04 0.00 0.00 34.50 30.00 1sou s PRO 161 CO 0.28 -2.65 0.60 1.03 0.04 0.00 0.00 177.00 176.30 1sou s ARG 162 N 7.08 3.51 0.49 4.56 0.52 -1.26 -4.98 118.95 128.87 1sou s ARG 162 Ca 0.85 -0.18 0.01 0.00 -0.52 0.00 0.00 55.73 55.89 1sou s ARG 162 Cb -0.19 -2.60 -0.01 0.00 0.52 0.00 0.00 34.95 32.68 1sou s ARG 162 CO 0.27 0.08 0.05 0.34 0.02 0.00 0.00 175.30 176.06 1sou s ASP 163 N -3.97 3.74 -0.13 0.23 -1.08 -1.26 -5.08 116.67 109.12 1sou s ASP 163 Ca 0.42 -1.72 -0.27 0.00 -0.52 0.00 0.00 52.55 50.46 1sou s ASP 163 Cb -0.10 0.67 -0.26 0.00 -1.46 0.00 0.00 42.92 41.76 1sou s ASP 163 CO 0.37 -0.95 0.75 0.00 0.52 0.00 0.00 175.17 175.86 1sou h ALA 164 N 1.43 0.01 -0.46 3.66 0.00 -2.06 -3.33 119.26 118.51 1sou h ALA 164 Ca -0.40 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 53.92 1sou h ALA 164 Cb 1.31 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.17 1sou h ALA 164 CO 0.66 0.11 0.00 -2.67 0.00 0.00 0.00 179.25 177.35 1sou n TRP 165 N -4.52 0.61 -1.30 0.00 2.14 -1.26 -4.94 117.44 108.16 1sou n TRP 165 Ca -0.12 -0.30 -0.31 0.00 2.07 0.00 0.00 57.50 58.83 1sou n TRP 165 Cb 0.54 0.00 0.09 0.00 -0.81 0.00 0.00 31.31 31.13 1sou n TRP 165 CO 0.00 0.00 0.00 0.34 2.07 0.00 0.00 177.69 180.10 1sou s ASP 166 N -1.07 4.54 -0.35 -0.67 2.15 -1.25 -5.00 116.67 115.02 1sou s ASP 166 Ca 0.33 1.85 -0.10 0.00 0.43 0.00 0.00 52.55 55.06 1sou s ASP 166 Cb 0.17 -2.53 0.02 0.00 -0.30 0.00 0.00 42.92 40.29 1sou s ASP 166 CO 0.23 -2.01 0.18 -0.63 -0.17 0.00 0.00 175.17 172.77 1sou s ILE 167 N -2.84 4.47 0.26 4.11 1.09 -1.26 -4.99 121.20 122.05 1sou s ILE 167 Ca 0.62 -0.76 -0.14 0.00 -1.10 0.00 0.00 60.65 59.27 1sou s ILE 167 Cb -0.18 -3.43 -0.08 0.00 -1.06 0.00 0.00 42.46 37.71 1sou s ILE 167 CO 0.54 -0.13 0.65 -2.16 -0.10 0.00 0.00 174.94 173.75 1sou s PRO 168 N 1.55 3.97 0.72 2.79 0.04 -1.26 -4.50 135.00 138.31 1sou s PRO 168 Ca 0.02 0.55 -0.04 0.00 0.04 0.00 0.00 61.00 61.57 1sou s PRO 168 Cb -0.19 -2.61 0.10 0.00 0.04 0.00 0.00 34.50 31.85 1sou s PRO 168 CO 0.06 0.27 1.01 0.14 0.04 0.00 0.00 177.00 178.52 1sou s VAL 169 N -1.82 2.24 -0.16 -0.36 -7.23 0.45 -5.01 120.40 108.52 1sou s VAL 169 Ca 0.49 -0.43 -0.07 0.00 -1.81 0.00 0.00 61.98 60.15 1sou s VAL 169 Cb -0.12 -2.81 -0.07 0.00 0.56 0.00 0.00 36.38 33.94 1sou s VAL 169 CO 0.19 0.00 -0.20 0.47 -0.31 0.00 0.00 175.10 175.25 1sou n ASP 170 N -2.91 1.21 -4.27 4.85 8.00 -0.19 -4.87 116.55 118.37 1sou n ASP 170 Ca 0.12 0.18 -0.26 0.00 0.71 0.00 0.00 54.79 55.54 1sou n ASP 170 Cb 0.60 -0.45 -0.14 0.00 -0.02 0.00 0.00 41.12 41.11 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 -2.29 1.75 -0.30 2.53 1.01 -1.04 -3.22 120.40 118.84 1sou s VAL 171 Ca -0.22 -1.28 0.02 0.00 0.00 0.00 0.00 61.98 60.49 1sou s VAL 171 Cb 0.08 -1.53 0.09 0.00 0.00 0.00 0.00 36.38 35.02 1sou s VAL 171 CO 0.28 0.19 0.02 -0.22 0.00 0.00 0.00 175.10 175.38 1sou s LEU 172 N -1.30 3.49 -0.25 3.92 2.96 0.25 -0.36 118.68 127.39 1sou s LEU 172 Ca 0.08 -1.72 -0.23 0.00 -0.22 0.00 0.00 54.13 52.04 1sou s LEU 172 Cb -0.09 -1.32 -0.01 0.00 0.50 0.00 0.00 46.19 45.26 1sou s LEU 172 CO 0.02 -0.34 0.74 -0.69 -1.32 0.00 0.00 176.35 174.77 1sou s VAL 173 N 1.22 4.90 0.43 1.68 1.01 0.18 -0.39 120.40 129.43 1sou s VAL 173 Ca 0.05 1.37 0.05 0.00 0.00 0.00 0.00 61.98 63.45 1sou s VAL 173 Cb -0.19 -4.03 0.05 0.00 0.00 0.00 0.00 36.38 32.21 1sou s VAL 173 CO -0.11 -0.03 0.43 0.35 0.00 0.00 0.00 175.10 175.74 1sou n THR 174 N 5.21 0.00 0.70 3.92 -2.24 -0.67 -2.44 114.28 118.77 1sou n THR 174 Ca 0.03 -1.59 0.08 0.00 -2.27 0.00 0.00 64.05 60.30 1sou n THR 174 Cb 0.48 -0.33 0.39 0.00 -2.10 0.00 0.00 70.33 68.77 1sou n THR 174 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1sou n GLU 175 N -1.67 0.15 0.04 -0.78 0.28 -1.24 -4.11 120.64 113.31 1sou n GLU 175 Ca 0.04 0.16 -0.00 0.00 -0.16 0.00 0.00 57.16 57.20 1sou n GLU 175 Cb 0.47 -1.50 -0.00 0.00 1.43 0.00 0.00 31.44 31.84 1sou n GLU 175 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1sou n LYS 176 N -1.36 0.00 -4.29 3.44 4.76 -1.26 -4.70 118.16 114.75 1sou n LYS 176 Ca 0.06 0.00 -0.16 0.00 -2.87 0.00 0.00 58.31 55.35 1sou n LYS 176 Cb 0.15 -0.38 -0.10 0.00 -1.84 0.00 0.00 35.03 32.86 1sou n LYS 176 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 1sou s ASN 177 N -5.76 1.90 -0.64 4.39 -0.87 -1.26 -5.06 114.94 107.64 1sou s ASN 177 Ca -0.00 -1.09 -0.23 0.00 -1.57 0.00 0.00 52.86 49.97 1sou s ASN 177 Cb 0.00 -0.02 0.06 0.00 -0.02 0.00 0.00 41.25 41.27 1sou s ASN 177 CO 0.00 -0.38 0.97 -0.69 -2.57 0.00 0.00 177.10 174.43 1sou s VAL 178 N -3.32 4.32 -0.89 1.60 1.01 -1.26 -1.67 120.40 120.19 1sou s VAL 178 Ca 0.21 -0.18 -0.20 0.00 0.00 0.00 0.00 61.98 61.82 1sou s VAL 178 Cb 0.03 -4.65 0.11 0.00 0.00 0.00 0.00 36.38 31.87 1sou s VAL 178 CO 0.04 -1.39 1.12 -0.60 0.00 0.00 0.00 175.10 174.28 1sou s ARG 179 N 4.10 3.50 -0.44 2.72 6.06 0.48 -4.94 118.95 130.43 1sou s ARG 179 Ca 0.24 -1.53 -0.28 0.00 -2.50 0.00 0.00 55.73 51.66 1sou s ARG 179 Cb -0.15 -4.83 0.01 0.00 0.06 0.00 0.00 34.95 30.03 1sou s ARG 179 CO 0.13 -1.82 1.46 0.50 -2.50 0.00 0.00 175.30 173.07 1sou s ARG 180 N 3.16 3.46 0.13 5.12 3.52 -1.26 -0.58 118.95 132.49 1sou s ARG 180 Ca 0.32 0.87 -0.15 0.00 -0.13 0.00 0.00 55.73 56.65 1sou s ARG 180 Cb -0.07 -4.07 -0.02 0.00 -1.56 0.00 0.00 34.95 29.23 1sou s ARG 180 CO -0.06 -1.71 1.57 -0.07 -0.81 0.00 0.00 175.30 174.23 1sou h LEU 181 N 12.67 0.69 -7.00 -0.88 3.38 -1.91 -3.47 115.31 118.79 1sou h LEU 181 Ca -0.28 -0.30 0.08 0.00 0.09 0.00 0.00 57.88 57.47 1sou h LEU 181 Cb 1.11 -0.19 -0.17 0.00 0.09 0.00 0.00 40.66 41.50 1sou h LEU 181 CO 1.10 0.83 0.47 0.00 0.09 0.00 0.00 178.44 180.94 1sou s ARG 182 N -5.02 0.80 -0.25 1.13 1.04 -1.25 -5.09 118.95 110.31 1sou s ARG 182 Ca -0.13 -0.14 -0.15 0.00 -1.04 0.00 0.00 55.73 54.26 1sou s ARG 182 Cb 0.10 0.37 -0.11 0.00 -2.04 0.00 0.00 34.95 33.27 1sou s ARG 182 CO 0.79 -0.32 -0.32 -0.40 -0.04 0.00 0.00 175.30 175.02 1sou n ASP 183 N 0.10 1.94 -2.00 -2.89 5.75 -1.26 -4.84 116.55 113.36 1sou n ASP 183 Ca -0.10 0.35 -0.18 0.00 -0.01 0.00 0.00 54.79 54.85 1sou n ASP 183 Cb 0.60 -0.81 -0.01 0.00 -1.03 0.00 0.00 41.12 39.87 1sou n ASP 183 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1sou n GLY 184 N 1.33 -0.23 1.40 6.12 0.00 -1.26 -4.81 105.19 107.73 1sou n GLY 184 Ca -0.41 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.70 0.00 -3.56 1.61 5.12 -1.26 -5.12 116.66 110.74 1sou n ARG 185 Ca -0.21 0.00 -0.21 0.00 -1.93 0.00 0.00 57.85 55.50 1sou n ARG 185 Cb 0.66 -0.24 -0.01 0.00 -1.16 0.00 0.00 32.46 31.71 1sou n ARG 185 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 1sou s SER 186 N -4.70 6.11 0.00 0.55 0.15 -1.26 -4.98 113.70 109.57 1sou s SER 186 Ca 0.00 0.05 0.20 0.00 0.70 0.00 0.00 55.95 56.90 1sou s SER 186 Cb 0.00 -1.59 0.54 0.00 -1.71 0.00 0.00 66.02 63.26 1sou s SER 186 CO 0.00 -0.33 1.44 0.18 1.20 0.00 0.00 173.24 175.73 1sou n LEU 187 N -1.64 2.61 -0.31 3.45 4.77 -1.26 -4.27 117.00 120.35 1sou n LEU 187 Ca -0.04 -1.19 0.07 0.00 -0.03 0.00 0.00 56.01 54.83 1sou n LEU 187 Cb 0.57 -0.24 0.28 0.00 -2.33 0.00 0.00 43.42 41.71 1sou n LEU 187 CO 0.45 0.60 1.23 -0.08 -1.33 0.00 0.00 177.39 178.26 1sou h GLU 188 N 3.18 0.88 -4.65 3.23 4.57 -2.02 -3.32 114.58 116.44 1sou h GLU 188 Ca 0.00 -0.05 -0.71 0.00 -1.18 0.00 0.00 59.36 57.42 1sou h GLU 188 Cb 0.71 -0.20 -0.20 0.00 -0.16 0.00 0.00 28.75 28.90 1sou h GLU 188 CO 0.00 0.58 -0.09 -1.01 -1.18 0.00 0.00 179.01 177.31 1sou s HIS 189 N -5.85 3.12 -1.26 0.92 3.76 -1.26 -4.99 115.29 109.74 1sou s HIS 189 Ca -0.11 -0.76 -0.19 0.00 -0.15 0.00 0.00 55.06 53.85 1sou s HIS 189 Cb 0.21 -3.47 0.05 0.00 1.11 0.00 0.00 32.58 30.48 1sou s HIS 189 CO 0.80 -0.98 1.74 -1.58 -0.85 0.00 0.00 174.74 173.88 1sou s HIS 190 N 2.23 2.64 -0.30 1.40 2.46 -1.25 -4.78 115.29 117.70 1sou s HIS 190 Ca 0.10 -1.27 -0.02 0.00 0.47 0.00 0.00 55.06 54.34 1sou s HIS 190 Cb -0.22 -4.65 0.18 0.00 -0.13 0.00 0.00 32.58 27.76 1sou s HIS 190 CO 0.09 -1.74 0.59 -1.58 -2.47 0.00 0.00 174.74 169.63 1sou s HIS 191 N 5.24 -1.53 0.37 3.88 5.04 -1.26 -5.17 115.29 121.87 1sou s HIS 191 Ca 0.55 1.73 0.08 0.00 -1.54 0.00 0.00 55.06 55.88 1sou s HIS 191 Cb 0.03 0.56 -0.07 0.00 0.04 0.00 0.00 32.58 33.14 1sou s HIS 191 CO 0.07 -0.84 -0.05 -1.01 -2.34 0.00 0.00 174.74 170.57 1sou s HIS 192 N 2.84 2.45 0.08 3.88 3.76 -1.26 -5.13 115.29 121.90 1sou s HIS 192 Ca 0.17 -0.58 -0.20 0.00 -0.15 0.00 0.00 55.06 54.30 1sou s HIS 192 Cb -0.15 -1.55 -0.07 0.00 1.11 0.00 0.00 32.58 31.92 1sou s HIS 192 CO -0.20 0.52 0.60 -1.58 -0.85 0.00 0.00 174.74 173.23 1sou s HIS 193 N -2.66 3.81 -2.38 1.40 2.46 -1.26 -5.32 115.29 111.34 1sou s HIS 193 Ca 0.34 1.32 0.29 0.00 0.47 0.00 0.00 55.06 57.48 1sou s HIS 193 Cb 0.06 -2.55 1.26 0.00 -0.13 0.00 0.00 32.58 31.22 1sou s HIS 193 CO 0.17 0.55 1.87 0.72 -2.47 0.00 0.00 174.74 175.58