#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 3.85 0.04 -0.89 1.43 -1.26 -4.97 118.68 116.88 1sou s LEU 2 Ca 0.00 1.05 -0.23 0.00 -1.03 0.00 0.00 54.13 53.92 1sou s LEU 2 Cb 0.00 -3.92 -0.15 0.00 0.03 0.00 0.00 46.19 42.15 1sou s LEU 2 CO 0.00 -0.38 1.48 0.11 0.23 0.00 0.00 176.35 177.79 1sou h LYS 3 N 1.23 0.14 -0.43 1.70 6.56 -2.04 -1.55 116.57 122.18 1sou h LYS 3 Ca -0.47 -0.04 -0.05 0.00 -1.06 0.00 0.00 60.65 59.03 1sou h LYS 3 Cb 1.19 -0.01 -0.02 0.00 -0.57 0.00 0.00 32.23 32.81 1sou h LYS 3 CO 0.64 0.38 0.05 0.77 -2.06 0.00 0.00 179.45 179.24 1sou h SER 4 N -0.13 0.62 0.33 0.86 0.02 -1.99 -2.00 113.55 111.26 1sou h SER 4 Ca 0.02 -0.11 -0.01 0.00 -0.84 0.00 0.00 61.79 60.85 1sou h SER 4 Cb 0.32 -0.16 -0.00 0.00 0.14 0.00 0.00 62.40 62.69 1sou h SER 4 CO 0.00 0.65 -0.20 -0.08 -1.14 0.00 0.00 176.83 176.06 1sou h GLU 5 N 0.63 -0.50 -0.23 3.45 4.81 -1.91 0.64 114.58 121.49 1sou h GLU 5 Ca 0.14 0.03 0.02 0.00 -0.13 0.00 0.00 59.36 59.42 1sou h GLU 5 Cb 0.32 0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.79 1sou h GLU 5 CO 0.01 -0.33 0.09 1.25 -0.73 0.00 0.00 179.01 179.30 1sou h LEU 6 N -0.51 0.12 -0.06 1.64 5.85 -1.05 0.30 115.31 121.60 1sou h LEU 6 Ca -0.03 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.70 1sou h LEU 6 Cb 0.42 -0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.45 1sou h LEU 6 CO 0.04 0.10 0.04 -0.09 -0.34 0.00 0.00 178.44 178.18 1sou h ARG 7 N 0.21 0.07 -0.48 1.25 1.12 -1.25 -1.20 114.38 114.10 1sou h ARG 7 Ca 0.10 -0.00 -0.05 0.00 -1.11 0.00 0.00 59.98 58.91 1sou h ARG 7 Cb 0.05 -0.02 -0.02 0.00 -0.01 0.00 0.00 29.97 29.97 1sou h ARG 7 CO -0.08 0.05 0.08 -0.22 -3.11 0.00 0.00 179.97 176.69 1sou h LYS 8 N 0.07 0.78 -0.15 0.20 3.64 -0.65 -0.81 116.57 119.66 1sou h LYS 8 Ca 0.02 -0.21 -0.04 0.00 -1.27 0.00 0.00 60.65 59.15 1sou h LYS 8 Cb -0.01 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 31.72 1sou h LYS 8 CO -0.00 0.79 -0.08 -0.22 -2.27 0.00 0.00 179.45 177.66 1sou h LYS 9 N 0.66 0.32 -0.35 1.90 3.64 -0.81 -2.95 116.57 118.98 1sou h LYS 9 Ca 0.15 -0.14 -0.12 0.00 -1.27 0.00 0.00 60.65 59.26 1sou h LYS 9 Cb 0.38 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.18 1sou h LYS 9 CO 0.01 0.65 -0.27 0.28 -2.27 0.00 0.00 179.45 177.85 1sou h VAL 10 N -0.01 1.28 -0.82 2.00 2.07 -1.22 -3.01 116.25 116.52 1sou h VAL 10 Ca 0.03 -1.39 0.07 0.00 0.82 0.00 0.00 66.70 66.24 1sou h VAL 10 Cb 0.56 1.29 -0.05 0.00 -1.52 0.00 0.00 31.29 31.57 1sou h VAL 10 CO 0.02 0.46 0.54 0.25 0.02 0.00 0.00 177.57 178.86 1sou h LEU 11 N 0.62 0.78 -1.55 2.57 5.85 -1.08 0.46 115.31 122.96 1sou h LEU 11 Ca 0.08 0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.76 1sou h LEU 11 Cb 0.78 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.64 1sou h LEU 11 CO 0.06 0.50 -0.21 -0.74 -0.34 0.00 0.00 178.44 177.71 1sou h HIS 12 N 0.88 0.00 0.00 1.25 2.76 -1.38 -0.46 115.15 118.20 1sou h HIS 12 Ca 0.36 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.53 1sou h HIS 12 Cb 0.26 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.22 1sou h HIS 12 CO -0.00 0.21 -1.27 1.63 -1.30 0.00 0.00 177.93 177.20 1sou n LYS 13 N -3.70 0.40 0.01 5.26 4.76 -0.52 -3.11 118.16 121.26 1sou n LYS 13 Ca -0.01 -0.04 -0.18 0.00 -2.87 0.00 0.00 58.31 55.21 1sou n LYS 13 Cb 0.33 -1.60 -0.11 0.00 -1.84 0.00 0.00 35.03 31.82 1sou n LYS 13 CO 0.00 0.00 0.00 -0.09 -1.37 0.00 0.00 177.40 175.94 1sou h ARG 14 N 0.00 0.50 -0.28 1.97 2.43 0.11 -3.14 114.38 115.97 1sou h ARG 14 Ca 0.00 -0.53 0.00 0.00 -0.81 0.00 0.00 59.98 58.64 1sou h ARG 14 Cb 0.81 0.15 0.00 0.00 -0.42 0.00 0.00 29.97 30.51 1sou h ARG 14 CO 0.00 1.16 0.00 0.44 -1.51 0.00 0.00 179.97 180.06 1sou n ILE 15 N -4.12 0.37 0.15 1.20 -5.35 -0.29 -4.03 119.36 107.29 1sou n ILE 15 Ca -0.10 -0.45 0.02 0.00 -0.27 0.00 0.00 62.75 61.95 1sou n ILE 15 Cb 0.73 0.37 0.11 0.00 -1.74 0.00 0.00 39.64 39.11 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 2.41 0.00 -3.39 7.28 -1.24 -1.49 -3.45 115.58 115.71 1sou h ASN 16 Ca 0.00 0.00 -0.53 0.00 0.71 0.00 0.00 56.30 56.48 1sou h ASN 16 Cb 0.54 0.00 0.07 0.00 0.73 0.00 0.00 38.32 39.66 1sou h ASN 16 CO 0.00 0.53 0.81 -0.76 -1.29 0.00 0.00 177.43 176.72 1sou s LEU 17 N -6.71 4.37 0.41 0.34 1.43 -1.26 -4.95 118.68 112.31 1sou s LEU 17 Ca 0.02 2.81 -0.26 0.00 -1.03 0.00 0.00 54.13 55.67 1sou s LEU 17 Cb 0.09 -3.63 -0.09 0.00 0.03 0.00 0.00 46.19 42.59 1sou s LEU 17 CO 0.73 -0.80 1.31 -0.44 0.23 0.00 0.00 176.35 177.39 1sou s SER 18 N 0.39 6.29 0.25 2.29 0.01 -1.26 -4.74 113.70 116.93 1sou s SER 18 Ca 0.61 2.68 -0.03 0.00 1.31 0.00 0.00 55.95 60.52 1sou s SER 18 Cb -0.45 -2.64 0.47 0.00 0.21 0.00 0.00 66.02 63.62 1sou s SER 18 CO 0.46 -0.86 1.76 -0.33 0.41 0.00 0.00 173.24 174.68 1sou h GLU 19 N 2.68 0.58 0.11 12.44 5.08 -1.95 0.18 114.58 133.69 1sou h GLU 19 Ca -0.50 -0.03 0.02 0.00 -1.00 0.00 0.00 59.36 57.84 1sou h GLU 19 Cb 1.25 -0.13 -0.05 0.00 0.50 0.00 0.00 28.75 30.32 1sou h GLU 19 CO 0.63 0.38 -0.51 1.49 -1.00 0.00 0.00 179.01 180.00 1sou h GLU 20 N 0.60 -0.70 -0.31 2.33 4.81 -1.99 0.19 114.58 119.51 1sou h GLU 20 Ca 0.43 0.05 -0.05 0.00 -0.13 0.00 0.00 59.36 59.65 1sou h GLU 20 Cb 0.58 0.16 -0.01 0.00 0.63 0.00 0.00 28.75 30.11 1sou h GLU 20 CO -0.35 -0.47 -0.01 1.49 -0.73 0.00 0.00 179.01 178.94 1sou h GLU 21 N -0.73 0.56 -0.71 1.92 4.81 -1.78 -1.84 114.58 116.81 1sou h GLU 21 Ca 0.00 -0.18 -0.02 0.00 -0.13 0.00 0.00 59.36 59.03 1sou h GLU 21 Cb 0.75 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 30.05 1sou h GLU 21 CO -0.29 0.70 0.35 -0.09 -0.73 0.00 0.00 179.01 178.96 1sou h ARG 22 N 0.35 1.02 -0.17 1.92 2.43 -0.48 0.15 114.38 119.60 1sou h ARG 22 Ca 0.09 -0.14 -0.15 0.00 -0.81 0.00 0.00 59.98 58.96 1sou h ARG 22 Cb 0.46 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.81 1sou h ARG 22 CO 0.02 0.79 -0.54 -0.09 -1.51 0.00 0.00 179.97 178.64 1sou h ARG 23 N 0.99 0.48 -0.36 0.20 2.43 -0.61 -0.43 114.38 117.09 1sou h ARG 23 Ca 0.25 -0.30 -0.08 0.00 -0.81 0.00 0.00 59.98 59.04 1sou h ARG 23 Cb 0.10 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.67 1sou h ARG 23 CO -0.03 0.90 -0.09 -0.09 -1.51 0.00 0.00 179.97 179.14 1sou h ARG 24 N 0.37 0.61 -0.19 0.20 2.43 -0.46 0.15 114.38 117.49 1sou h ARG 24 Ca 0.01 -0.18 -0.18 0.00 -0.81 0.00 0.00 59.98 58.82 1sou h ARG 24 Cb 1.06 -0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 30.55 1sou h ARG 24 CO 0.10 0.70 -0.60 -0.07 -1.51 0.00 0.00 179.97 178.59 1sou h LEU 25 N 0.57 0.74 -1.37 3.80 3.38 -0.59 -3.03 115.31 118.80 1sou h LEU 25 Ca 0.10 -0.42 -0.06 0.00 0.09 0.00 0.00 57.88 57.60 1sou h LEU 25 Cb 0.50 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 1sou h LEU 25 CO 0.03 1.17 -0.26 0.28 0.09 0.00 0.00 178.44 179.75 1sou h SER 26 N 0.49 0.08 -0.77 -0.43 0.02 -0.42 -1.98 113.55 110.54 1sou h SER 26 Ca -0.00 -0.02 0.07 0.00 -0.84 0.00 0.00 61.79 60.99 1sou h SER 26 Cb 1.18 -0.02 -0.06 0.00 0.14 0.00 0.00 62.40 63.64 1sou h SER 26 CO 0.12 0.34 0.45 -0.08 -1.14 0.00 0.00 176.83 176.52 1sou h GLU 27 N 0.08 0.78 -0.33 3.45 4.81 -0.60 0.16 114.58 122.93 1sou h GLU 27 Ca 0.01 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.19 1sou h GLU 27 Cb 0.50 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.69 1sou h GLU 27 CO 0.04 0.52 0.20 0.87 -0.73 0.00 0.00 179.01 179.90 1sou h LYS 28 N 0.81 0.45 -0.73 1.92 1.57 -1.35 -1.76 116.57 117.48 1sou h LYS 28 Ca 0.35 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 59.07 1sou h LYS 28 Cb 0.22 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.40 1sou h LYS 28 CO -0.19 0.35 0.40 0.28 -0.57 0.00 0.00 179.45 179.72 1sou h VAL 29 N 0.42 1.22 0.03 0.50 2.07 -0.92 0.61 116.25 120.18 1sou h VAL 29 Ca 0.12 -0.54 -0.00 0.00 0.82 0.00 0.00 66.70 67.10 1sou h VAL 29 Cb 0.02 0.26 0.00 0.00 -1.52 0.00 0.00 31.29 30.04 1sou h VAL 29 CO -0.02 0.24 -0.01 0.40 0.02 0.00 0.00 177.57 178.20 1sou h ILE 30 N 1.00 1.02 -0.79 4.57 2.04 -0.53 0.14 117.51 124.95 1sou h ILE 30 Ca 0.26 -0.14 -0.00 0.00 1.00 0.00 0.00 64.86 65.98 1sou h ILE 30 Cb 0.03 1.11 -0.04 0.00 -0.74 0.00 0.00 36.82 37.18 1sou h ILE 30 CO -0.04 0.03 0.49 -1.28 0.00 0.00 0.00 178.15 177.35 1sou h SER 31 N -0.09 0.94 0.10 1.72 0.87 -1.08 0.36 113.55 116.38 1sou h SER 31 Ca -0.00 -0.06 -0.01 0.00 -1.23 0.00 0.00 61.79 60.50 1sou h SER 31 Cb 0.08 -0.24 0.00 0.00 -0.44 0.00 0.00 62.40 61.81 1sou h SER 31 CO 0.01 0.72 -0.05 -1.13 -0.53 0.00 0.00 176.83 175.85 1sou h ASN 32 N 1.09 -0.12 -0.42 6.23 -1.24 -0.61 -1.23 115.58 119.27 1sou h ASN 32 Ca 0.29 -0.15 -0.05 0.00 0.71 0.00 0.00 56.30 57.09 1sou h ASN 32 Cb -0.06 0.03 -0.02 0.00 0.73 0.00 0.00 38.32 39.00 1sou h ASN 32 CO -0.06 0.08 0.10 0.25 -1.29 0.00 0.00 177.43 176.52 1sou h LEU 33 N -0.32 0.70 -0.41 0.34 5.85 -0.55 -1.62 115.31 119.30 1sou h LEU 33 Ca -0.01 -0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.58 1sou h LEU 33 Cb 0.27 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.11 1sou h LEU 33 CO 0.02 0.71 0.00 0.50 -0.34 0.00 0.00 178.44 179.33 1sou h LYS 34 N 0.73 0.00 0.00 1.25 3.64 -0.78 -2.48 116.57 118.93 1sou h LYS 34 Ca 0.16 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.54 1sou h LYS 34 Cb 0.30 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.12 1sou h LYS 34 CO 0.00 0.00 -0.81 0.77 -2.27 0.00 0.00 179.45 177.14 1sou h SER 35 N 0.00 0.00 -1.90 4.20 0.02 -0.43 -3.45 113.55 111.99 1sou h SER 35 Ca 0.00 -0.04 -0.62 0.00 -0.84 0.00 0.00 61.79 60.29 1sou h SER 35 Cb 0.71 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.26 1sou h SER 35 CO 0.00 0.02 1.21 -0.11 -1.14 0.00 0.00 176.83 176.81 1sou n LEU 36 N -2.61 3.28 -0.28 5.07 0.00 -0.68 -4.88 117.00 116.90 1sou n LEU 36 Ca 0.01 0.79 0.01 0.00 0.00 0.00 0.00 56.01 56.82 1sou n LEU 36 Cb 0.52 -1.39 0.13 0.00 0.00 0.00 0.00 43.42 42.69 1sou n LEU 36 CO 0.39 -0.22 1.14 -0.65 0.00 0.00 0.00 177.39 178.05 1sou h PRO 37 N 10.52 0.80 0.00 1.96 0.11 -1.89 -1.46 132.00 142.05 1sou h PRO 37 Ca -0.45 -0.05 -0.06 0.00 0.11 0.00 0.00 66.00 65.55 1sou h PRO 37 Cb 1.27 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 1sou h PRO 37 CO 0.96 0.53 -0.29 0.93 -0.21 0.00 0.00 178.00 179.92 1sou h GLU 38 N 0.83 0.00 -0.19 1.05 5.08 -1.95 -2.39 114.58 117.01 1sou h GLU 38 Ca 0.36 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.58 1sou h GLU 38 Cb 0.23 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 1sou h GLU 38 CO -0.20 0.29 -0.44 0.35 -1.00 0.00 0.00 179.01 178.01 1sou h PHE 39 N 0.00 0.56 -0.56 4.33 3.57 -1.56 -1.68 116.94 121.60 1sou h PHE 39 Ca -0.00 -0.17 -0.06 0.00 3.53 0.00 0.00 57.97 61.27 1sou h PHE 39 Cb 0.59 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 39.19 1sou h PHE 39 CO 0.00 0.83 0.12 -0.22 -2.23 0.00 0.00 178.31 176.81 1sou h LYS 40 N 0.38 0.90 0.00 1.11 3.64 -1.15 -2.75 116.57 118.70 1sou h LYS 40 Ca 0.03 -0.23 -0.06 0.00 -1.27 0.00 0.00 60.65 59.12 1sou h LYS 40 Cb 0.93 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.63 1sou h LYS 40 CO 0.08 0.85 -0.27 0.87 -2.27 0.00 0.00 179.45 178.71 1sou h LYS 41 N 0.80 0.00 -6.42 1.90 1.57 -1.36 -3.43 116.57 109.64 1sou h LYS 41 Ca 0.17 0.00 -0.54 0.00 -1.87 0.00 0.00 60.65 58.42 1sou h LYS 41 Cb 0.37 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.69 1sou h LYS 41 CO 0.01 0.27 0.95 -1.12 -0.57 0.00 0.00 179.45 178.99 1sou s SER 42 N -6.25 6.68 -0.20 0.86 0.01 -0.65 -4.90 113.70 109.26 1sou s SER 42 Ca 0.02 2.36 0.05 0.00 1.31 0.00 0.00 55.95 59.69 1sou s SER 42 Cb 0.09 -2.56 -0.16 0.00 0.21 0.00 0.00 66.02 63.61 1sou s SER 42 CO 0.66 -0.84 -0.12 0.29 0.41 0.00 0.00 173.24 173.64 1sou n LYS 43 N 5.61 0.76 -3.29 12.44 5.02 -1.26 -4.83 118.16 132.60 1sou n LYS 43 Ca 0.15 0.08 -0.43 0.00 -2.02 0.00 0.00 58.31 56.09 1sou n LYS 43 Cb 0.42 -1.42 -0.08 0.00 -0.02 0.00 0.00 35.03 33.92 1sou n LYS 43 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1sou s LYS 44 N -2.41 3.09 -0.31 1.97 -0.14 -1.26 -0.96 119.74 119.72 1sou s LYS 44 Ca -0.22 -0.83 -0.03 0.00 -1.36 0.00 0.00 55.97 53.53 1sou s LYS 44 Cb 0.07 -4.01 0.04 0.00 -1.68 0.00 0.00 37.83 32.25 1sou s LYS 44 CO 0.54 -0.94 0.03 0.08 -0.76 0.00 0.00 175.35 174.29 1sou s VAL 45 N 2.20 3.23 -0.37 3.17 1.01 -0.92 -0.75 120.40 127.98 1sou s VAL 45 Ca 0.12 -1.27 -0.20 0.00 0.00 0.00 0.00 61.98 60.64 1sou s VAL 45 Cb -0.18 -2.83 0.00 0.00 0.00 0.00 0.00 36.38 33.38 1sou s VAL 45 CO 0.13 -0.10 0.61 0.00 0.00 0.00 0.00 175.10 175.74 1sou s ALA 46 N 1.31 3.45 -0.23 5.51 0.00 0.44 -0.48 121.76 131.75 1sou s ALA 46 Ca -0.04 -0.94 -0.06 0.00 0.00 0.00 0.00 51.96 50.92 1sou s ALA 46 Cb -0.19 -3.16 -0.03 0.00 0.00 0.00 0.00 23.12 19.74 1sou s ALA 46 CO -0.00 -1.38 0.04 -0.51 0.00 0.00 0.00 175.76 173.91 1sou s LEU 47 N 2.65 3.34 -0.57 0.00 1.43 -0.61 -0.83 118.68 124.09 1sou s LEU 47 Ca 0.23 -0.21 -0.28 0.00 -1.03 0.00 0.00 54.13 52.83 1sou s LEU 47 Cb -0.15 -1.88 0.03 0.00 0.03 0.00 0.00 46.19 44.22 1sou s LEU 47 CO 0.15 0.00 1.25 -0.31 0.23 0.00 0.00 176.35 177.67 1sou s TYR 48 N 1.38 2.52 -0.12 0.29 1.51 -0.93 -4.45 117.35 117.55 1sou s TYR 48 Ca 0.05 0.42 -0.30 0.00 -1.01 0.00 0.00 57.07 56.23 1sou s TYR 48 Cb -0.15 -4.49 -0.08 0.00 -0.11 0.00 0.00 41.96 37.13 1sou s TYR 48 CO 0.02 -1.70 2.08 0.00 -1.11 0.00 0.00 175.55 174.84 1sou s PRO 50 N 5.31 3.39 0.38 0.00 0.02 -1.26 -4.88 135.00 137.95 1sou s PRO 50 Ca 0.96 0.93 0.20 0.00 0.02 0.00 0.00 61.00 63.12 1sou s PRO 50 Cb -0.47 -4.12 0.36 0.00 0.02 0.00 0.00 34.50 30.29 1sou s PRO 50 CO 0.42 -1.80 1.59 -0.84 -0.33 0.00 0.00 177.00 176.03 1sou h ILE 51 N 6.57 0.42 -0.11 2.83 3.07 -1.90 -3.26 117.51 125.13 1sou h ILE 51 Ca -0.29 -1.49 -0.04 0.00 1.55 0.00 0.00 64.86 64.60 1sou h ILE 51 Cb 1.12 2.12 -0.02 0.00 -0.27 0.00 0.00 36.82 39.77 1sou h ILE 51 CO 1.10 0.23 -0.18 0.29 -1.05 0.00 0.00 178.15 178.54 1sou n LYS 52 N -3.19 1.72 0.00 0.16 4.76 -1.26 -5.00 118.16 115.36 1sou n LYS 52 Ca 0.02 -2.98 0.00 0.00 -2.87 0.00 0.00 58.31 52.49 1sou n LYS 52 Cb 0.59 -1.65 0.00 0.00 -1.84 0.00 0.00 35.03 32.13 1sou n LYS 52 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1sou n GLY 53 N -1.14 1.91 4.24 0.72 0.00 -1.23 -4.86 105.19 104.82 1sou n GLY 53 Ca 0.21 -0.53 -0.36 0.00 0.00 0.00 0.00 46.02 45.35 1sou n GLY 53 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1sou n GLU 54 N 0.00 -0.71 -2.15 1.61 -0.58 -1.26 -3.27 120.64 114.28 1sou n GLU 54 Ca 0.00 0.07 -0.04 0.00 -0.42 0.00 0.00 57.16 56.78 1sou n GLU 54 Cb 0.00 -3.18 -0.03 0.00 -0.57 0.00 0.00 31.44 27.66 1sou n GLU 54 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1sou n VAL 55 N -4.70 -9.05 -1.90 2.62 0.31 -1.26 -4.79 118.33 99.56 1sou n VAL 55 Ca -0.26 1.71 -0.43 0.00 -0.01 0.00 0.00 64.34 65.35 1sou n VAL 55 Cb 0.65 -5.36 -0.03 0.00 -0.91 0.00 0.00 33.84 28.20 1sou n VAL 55 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1sou s ASP 56 N -0.40 5.94 -0.07 4.52 2.15 -1.20 -4.81 116.67 122.79 1sou s ASP 56 Ca -0.18 1.65 0.11 0.00 0.43 0.00 0.00 52.55 54.55 1sou s ASP 56 Cb 0.01 -2.52 0.23 0.00 -0.30 0.00 0.00 42.92 40.34 1sou s ASP 56 CO 0.48 -1.61 1.16 0.18 -0.17 0.00 0.00 175.17 175.21 1sou n LEU 57 N 9.98 2.57 -0.26 -1.34 4.77 -1.26 -4.71 117.00 126.75 1sou n LEU 57 Ca 0.23 -2.52 -0.06 0.00 -0.03 0.00 0.00 56.01 53.63 1sou n LEU 57 Cb 0.45 -0.27 0.05 0.00 -2.33 0.00 0.00 43.42 41.33 1sou n LEU 57 CO 0.67 0.63 1.03 0.71 -1.33 0.00 0.00 177.39 179.10 1sou h THR 58 N 0.62 1.24 0.00 -5.08 1.35 -1.96 -1.87 112.91 107.21 1sou h THR 58 Ca 0.00 -0.75 0.00 0.00 -0.55 0.00 0.00 66.41 65.11 1sou h THR 58 Cb 0.85 0.42 0.00 0.00 -1.73 0.00 0.00 68.15 67.69 1sou h THR 58 CO 0.04 0.30 0.00 -2.65 -0.25 0.00 0.00 175.52 172.96 1sou n PRO 59 N -4.38 0.03 0.15 4.72 -0.02 -1.26 -1.90 135.00 132.34 1sou n PRO 59 Ca 0.06 0.38 0.08 0.00 -2.02 0.00 0.00 63.50 61.99 1sou n PRO 59 Cb 0.17 -1.58 0.06 0.00 -0.02 0.00 0.00 33.50 32.12 1sou n PRO 59 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1sou h LEU 60 N 0.00 0.00 0.14 2.45 5.85 -1.70 -3.36 115.31 118.70 1sou h LEU 60 Ca 0.00 0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.73 1sou h LEU 60 Cb 0.17 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.19 1sou h LEU 60 CO 0.00 0.18 -0.15 -0.26 -0.34 0.00 0.00 178.44 177.87 1sou h PHE 61 N 0.00 -0.40 -0.74 1.25 -1.00 -1.40 -0.74 116.94 113.92 1sou h PHE 61 Ca -0.02 0.00 0.14 0.00 2.81 0.00 0.00 57.97 60.91 1sou h PHE 61 Cb 1.16 0.16 -0.05 0.00 3.61 0.00 0.00 35.95 40.83 1sou h PHE 61 CO 0.00 -0.23 0.49 -1.35 -1.61 0.00 0.00 178.31 175.61 1sou h PRO 62 N -0.33 0.40 0.21 1.51 0.11 -1.75 0.27 132.00 132.41 1sou h PRO 62 Ca 0.01 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.08 1sou h PRO 62 Cb 0.32 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.34 1sou h PRO 62 CO -0.05 0.26 -0.10 0.93 -0.21 0.00 0.00 178.00 178.83 1sou h GLU 63 N 0.41 -0.27 -0.60 1.05 4.39 -1.58 -3.18 114.58 114.80 1sou h GLU 63 Ca 0.36 0.02 0.00 0.00 0.34 0.00 0.00 59.36 60.08 1sou h GLU 63 Cb 0.82 0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 29.50 1sou h GLU 63 CO -0.11 0.05 0.38 0.28 -1.16 0.00 0.00 179.01 178.44 1sou h VAL 64 N -0.60 1.16 0.00 3.13 2.07 -0.39 -1.35 116.25 120.28 1sou h VAL 64 Ca -0.03 -0.34 -0.01 0.00 0.82 0.00 0.00 66.70 67.14 1sou h VAL 64 Cb 0.44 0.30 -0.00 0.00 -1.52 0.00 0.00 31.29 30.51 1sou h VAL 64 CO 0.05 0.17 -0.03 -0.07 0.02 0.00 0.00 177.57 177.70 1sou h LEU 65 N 0.82 0.00 -0.27 2.57 3.38 -0.95 0.14 115.31 121.00 1sou h LEU 65 Ca 0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.19 1sou h LEU 65 Cb -0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.69 1sou h LEU 65 CO -0.04 0.03 -0.23 0.29 0.09 0.00 0.00 178.44 178.58 1sou n LYS 66 N -3.95 3.89 -0.08 1.13 4.76 -0.85 -4.56 118.16 118.50 1sou n LYS 66 Ca -0.03 -0.20 -0.09 0.00 -2.87 0.00 0.00 58.31 55.13 1sou n LYS 66 Cb 0.12 -0.86 -0.12 0.00 -1.84 0.00 0.00 35.03 32.32 1sou n LYS 66 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1sou n GLU 67 N -0.82 1.25 -2.33 1.97 1.02 -0.57 -5.08 120.64 116.09 1sou n GLU 67 Ca 0.02 0.01 -0.04 0.00 -0.02 0.00 0.00 57.16 57.13 1sou n GLU 67 Cb 0.11 -1.42 -0.01 0.00 -0.02 0.00 0.00 31.44 30.10 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 -2.66 0.09 -4.01 3.49 5.02 0.48 -5.02 118.16 115.56 1sou n LYS 68 Ca -0.28 -0.61 -0.35 0.00 -2.02 0.00 0.00 58.31 55.05 1sou n LYS 68 Cb 1.01 0.52 -0.11 0.00 -0.02 0.00 0.00 35.03 36.44 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 -2.23 3.80 0.28 1.97 0.41 -0.14 -4.43 118.70 118.36 1sou s GLU 69 Ca 0.07 -0.43 -0.23 0.00 -0.41 0.00 0.00 54.97 53.97 1sou s GLU 69 Cb 0.00 -3.19 -0.09 0.00 -1.78 0.00 0.00 34.13 29.07 1sou s GLU 69 CO 0.05 0.11 0.85 -1.17 -0.49 0.00 0.00 175.26 174.60 1sou s LEU 70 N 0.80 4.32 -0.19 1.80 2.96 -0.89 -2.16 118.68 125.33 1sou s LEU 70 Ca 0.02 1.64 0.00 0.00 -0.22 0.00 0.00 54.13 55.58 1sou s LEU 70 Cb -0.14 -3.84 0.04 0.00 0.50 0.00 0.00 46.19 42.75 1sou s LEU 70 CO 0.02 -0.03 -0.07 -0.63 -1.32 0.00 0.00 176.35 174.32 1sou s ILE 71 N -1.60 1.36 -0.08 6.68 1.01 0.37 -0.33 121.20 128.61 1sou s ILE 71 Ca 0.47 -0.86 -0.00 0.00 0.00 0.00 0.00 60.65 60.26 1sou s ILE 71 Cb -0.17 -1.52 -0.03 0.00 0.01 0.00 0.00 42.46 40.75 1sou s ILE 71 CO 0.22 0.10 -0.05 -0.76 0.00 0.00 0.00 174.94 174.45 1sou s LEU 72 N 1.51 3.25 -0.09 2.97 1.43 -0.98 -1.58 118.68 125.19 1sou s LEU 72 Ca -0.01 -0.00 -0.28 0.00 -1.03 0.00 0.00 54.13 52.81 1sou s LEU 72 Cb -0.16 -1.72 -0.02 0.00 0.03 0.00 0.00 46.19 44.32 1sou s LEU 72 CO -0.08 0.34 0.92 -2.16 0.23 0.00 0.00 176.35 175.60 1sou s PRO 73 N -0.70 4.42 -0.54 1.29 0.04 -1.26 -2.29 135.00 135.96 1sou s PRO 73 Ca 0.11 1.23 -0.10 0.00 0.04 0.00 0.00 61.00 62.28 1sou s PRO 73 Cb -0.11 -3.52 0.14 0.00 0.04 0.00 0.00 34.50 31.04 1sou s PRO 73 CO 0.02 -0.21 0.43 0.21 0.04 0.00 0.00 177.00 177.49 1sou s LYS 74 N 1.68 2.71 -0.30 4.56 2.36 0.39 -4.79 119.74 126.35 1sou s LYS 74 Ca 0.45 -1.93 -0.18 0.00 -2.55 0.00 0.00 55.97 51.76 1sou s LYS 74 Cb -0.18 -4.03 -0.02 0.00 -1.05 0.00 0.00 37.83 32.55 1sou s LYS 74 CO 0.19 -1.23 0.52 0.08 1.55 0.00 0.00 175.35 176.46 1sou s VAL 75 N 1.09 5.04 -2.19 4.02 1.01 -1.26 -0.43 120.40 127.68 1sou s VAL 75 Ca 0.08 0.65 0.19 0.00 0.00 0.00 0.00 61.98 62.90 1sou s VAL 75 Cb -0.24 -3.89 0.44 0.00 0.00 0.00 0.00 36.38 32.69 1sou s VAL 75 CO -0.02 -0.05 1.52 -0.62 0.00 0.00 0.00 175.10 175.94 1sou n GLU 76 N 5.64 1.61 0.00 2.72 -0.58 0.48 -4.72 120.64 125.80 1sou n GLU 76 Ca -0.04 -0.92 0.00 0.00 -0.42 0.00 0.00 57.16 55.77 1sou n GLU 76 Cb 0.49 -1.35 0.00 0.00 -0.57 0.00 0.00 31.44 30.01 1sou n GLU 76 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1sou n GLY 77 N 1.05 3.03 0.28 0.62 0.00 -1.26 -4.66 105.19 104.26 1sou n GLY 77 Ca 0.15 -0.81 -0.22 0.00 0.00 0.00 0.00 46.02 45.14 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 1.47 1.68 -4.87 1.61 6.94 -1.26 -4.61 115.26 116.23 1sou n ASN 78 Ca 0.00 0.21 -0.32 0.00 -0.02 0.00 0.00 54.58 54.45 1sou n ASN 78 Cb 0.00 -0.60 -0.05 0.00 -2.36 0.00 0.00 39.78 36.76 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 -2.41 3.79 -0.32 -3.83 2.02 -1.26 -3.89 118.70 112.81 1sou s GLU 79 Ca -0.30 0.24 0.02 0.00 0.02 0.00 0.00 54.97 54.95 1sou s GLU 79 Cb 0.11 -2.71 0.09 0.00 0.10 0.00 0.00 34.13 31.73 1sou s GLU 79 CO 0.40 0.36 0.05 0.42 0.02 0.00 0.00 175.26 176.51 1sou s ILE 80 N -1.76 1.77 -0.40 -1.63 1.01 -1.26 -0.39 121.20 118.54 1sou s ILE 80 Ca 0.45 -1.92 -0.25 0.00 0.00 0.00 0.00 60.65 58.94 1sou s ILE 80 Cb -0.12 -2.27 0.02 0.00 0.01 0.00 0.00 42.46 40.10 1sou s ILE 80 CO 0.21 -0.55 0.88 -0.44 0.00 0.00 0.00 174.94 175.04 1sou s SER 81 N 1.18 6.57 0.08 3.58 0.01 0.43 -4.79 113.70 120.75 1sou s SER 81 Ca 0.08 0.32 -0.25 0.00 1.31 0.00 0.00 55.95 57.41 1sou s SER 81 Cb -0.18 -2.44 -0.06 0.00 0.21 0.00 0.00 66.02 63.55 1sou s SER 81 CO -0.13 -0.89 0.77 -0.76 0.41 0.00 0.00 173.24 172.64 1sou s LEU 82 N 3.45 4.49 0.03 2.44 1.43 -1.26 -0.46 118.68 128.81 1sou s LEU 82 Ca 0.35 1.51 0.05 0.00 -1.03 0.00 0.00 54.13 55.02 1sou s LEU 82 Cb -0.12 -3.26 -0.02 0.00 0.03 0.00 0.00 46.19 42.83 1sou s LEU 82 CO 0.21 0.07 -0.16 -0.31 0.23 0.00 0.00 176.35 176.39 1sou s TYR 83 N -0.37 1.37 -0.55 0.29 2.02 -0.97 -0.40 117.35 118.74 1sou s TYR 83 Ca 0.38 -0.33 -0.28 0.00 -0.37 0.00 0.00 57.07 56.46 1sou s TYR 83 Cb -0.21 -0.83 0.03 0.00 -0.40 0.00 0.00 41.96 40.54 1sou s TYR 83 CO 0.24 0.03 1.22 1.03 -1.57 0.00 0.00 175.55 176.51 1sou s ARG 84 N -0.95 3.53 -0.42 -0.62 0.52 0.46 -2.32 118.95 119.15 1sou s ARG 84 Ca 0.04 0.38 -0.22 0.00 -0.52 0.00 0.00 55.73 55.40 1sou s ARG 84 Cb -0.07 -4.01 0.02 0.00 0.52 0.00 0.00 34.95 31.41 1sou s ARG 84 CO 0.01 -1.65 0.72 0.08 0.02 0.00 0.00 175.30 174.48 1sou s VAL 85 N 5.03 4.75 -0.11 3.52 1.01 0.55 -4.31 120.40 130.83 1sou s VAL 85 Ca 0.46 0.44 0.12 0.00 0.00 0.00 0.00 61.98 63.00 1sou s VAL 85 Cb -0.08 -4.24 -0.17 0.00 0.00 0.00 0.00 36.38 31.89 1sou s VAL 85 CO 0.27 -0.58 0.09 1.57 0.00 0.00 0.00 175.10 176.45 1sou n HIS 86 N 6.45 0.00 -4.04 5.22 -0.00 -1.26 -2.10 115.22 119.49 1sou n HIS 86 Ca 0.01 0.00 -0.08 0.00 0.46 0.00 0.00 57.72 58.11 1sou n HIS 86 Cb 0.48 -0.60 -0.10 0.00 -0.12 0.00 0.00 29.99 29.65 1sou n HIS 86 CO 0.00 0.00 0.00 -1.12 0.46 0.00 0.00 176.34 175.68 1sou s SER 87 N -4.47 0.39 0.00 0.26 0.01 -1.26 -4.92 113.70 103.72 1sou s SER 87 Ca -0.06 -0.85 0.00 0.00 1.31 0.00 0.00 55.95 56.34 1sou s SER 87 Cb 0.05 0.20 0.00 0.00 0.21 0.00 0.00 66.02 66.48 1sou s SER 87 CO 0.55 -0.57 0.00 -0.81 0.41 0.00 0.00 173.24 172.82 1sou n PRO 88 N 0.35 1.79 0.00 12.44 -0.04 -1.26 -4.52 135.00 143.75 1sou n PRO 88 Ca -0.16 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.30 1sou n PRO 88 Cb 0.60 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.06 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 -3.00 0.00 0.13 0.55 0.00 -1.26 -4.64 120.51 112.29 1sou n ALA 89 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.42 1sou n ALA 89 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.46 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 -0.30 2.38 0.00 0.00 1.43 -1.26 -1.28 118.68 119.65 1sou s LEU 91 Ca 0.05 -0.44 0.00 0.00 -1.03 0.00 0.00 54.13 52.71 1sou s LEU 91 Cb 0.04 -1.50 0.00 0.00 0.03 0.00 0.00 46.19 44.77 1sou s LEU 91 CO 0.00 0.18 0.00 0.61 0.23 0.00 0.00 176.35 177.38 1sou n GLY 92 N 3.39 4.13 2.79 -3.19 0.00 0.11 -4.92 105.19 107.49 1sou n GLY 92 Ca -0.18 -1.90 -0.21 0.00 0.00 0.00 0.00 46.02 43.72 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 -1.54 0.34 0.00 1.61 1.01 -1.26 0.08 120.40 120.64 1sou s VAL 93 Ca 0.00 0.09 0.00 0.00 0.00 0.00 0.00 61.98 62.07 1sou s VAL 93 Cb 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 36.38 35.91 1sou s VAL 93 CO 0.00 0.23 0.00 0.61 0.00 0.00 0.00 175.10 175.94 1sou n GLY 94 N 4.79 0.27 3.91 4.51 0.00 -1.26 -5.00 105.19 112.41 1sou n GLY 94 Ca -0.13 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.63 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 3.87 0.00 4.61 0.00 -1.26 -4.60 121.76 122.38 1sou s ALA 95 Ca 0.00 -1.10 0.00 0.00 0.00 0.00 0.00 51.96 50.86 1sou s ALA 95 Cb 0.00 -1.67 0.00 0.00 0.00 0.00 0.00 23.12 21.45 1sou s ALA 95 CO 0.00 0.50 0.00 0.34 0.00 0.00 0.00 175.76 176.60 1sou n PHE 96 N -0.59 0.00 0.00 0.00 7.35 -1.26 -3.45 117.46 119.51 1sou n PHE 96 Ca -0.07 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.62 1sou n PHE 96 Cb 0.54 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.37 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 1.72 3.99 7.13 0.00 -1.26 -5.11 105.19 111.66 1sou n GLY 97 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.00 2.64 -0.56 -0.61 -5.25 -1.22 -4.88 121.20 109.32 1sou s ILE 98 Ca 0.00 -1.08 -0.28 0.00 -0.99 0.00 0.00 60.65 58.30 1sou s ILE 98 Cb 0.00 -2.72 0.01 0.00 2.95 0.00 0.00 42.46 42.70 1sou s ILE 98 CO 0.00 0.00 1.43 -0.04 -1.79 0.00 0.00 174.94 174.54 1sou s MET 99 N -4.40 3.29 -0.34 0.37 -1.94 -1.26 -4.43 119.30 110.58 1sou s MET 99 Ca 0.55 0.47 -0.26 0.00 -1.71 0.00 0.00 55.69 54.73 1sou s MET 99 Cb -0.07 -4.13 0.01 0.00 2.01 0.00 0.00 34.83 32.65 1sou s MET 99 CO 0.33 -1.95 0.93 -1.21 -0.01 0.00 0.00 175.02 173.11 1sou s GLU 100 N 5.54 3.92 -0.23 2.03 2.02 0.11 -4.74 118.70 127.35 1sou s GLU 100 Ca 0.53 0.70 -0.29 0.00 0.02 0.00 0.00 54.97 55.93 1sou s GLU 100 Cb -0.11 -3.77 -0.01 0.00 0.10 0.00 0.00 34.13 30.34 1sou s GLU 100 CO 0.25 -0.88 1.35 -2.14 0.02 0.00 0.00 175.26 173.86 1sou s PRO 101 N 3.41 4.02 -0.05 0.39 0.02 -1.26 0.07 135.00 141.61 1sou s PRO 101 Ca 0.39 1.50 -0.14 0.00 0.02 0.00 0.00 61.00 62.76 1sou s PRO 101 Cb -0.12 -3.86 -0.09 0.00 0.02 0.00 0.00 34.50 30.44 1sou s PRO 101 CO 0.17 -0.98 0.59 0.28 -0.33 0.00 0.00 177.00 176.73 1sou h VAL 102 N 5.80 0.19 -4.19 3.83 2.07 -1.57 -3.48 116.25 118.91 1sou h VAL 102 Ca -0.28 -0.78 -0.49 0.00 0.82 0.00 0.00 66.70 65.97 1sou h VAL 102 Cb 1.11 0.33 -0.13 0.00 -1.52 0.00 0.00 31.29 31.08 1sou h VAL 102 CO 1.00 0.05 -0.50 -1.61 0.02 0.00 0.00 177.57 176.53 1sou s GLU 103 N -3.09 1.79 0.00 1.57 2.02 -1.26 -5.11 118.70 114.61 1sou s GLU 103 Ca -0.08 -2.06 0.00 0.00 0.02 0.00 0.00 54.97 52.85 1sou s GLU 103 Cb 0.01 0.04 0.00 0.00 0.10 0.00 0.00 34.13 34.28 1sou s GLU 103 CO 0.26 -0.59 0.00 0.41 0.02 0.00 0.00 175.26 175.36 1sou n GLY 104 N -0.70 0.43 3.39 -1.39 0.00 -1.26 -4.92 105.19 100.74 1sou n GLY 104 Ca 0.03 -1.33 -0.32 0.00 0.00 0.00 0.00 46.02 44.40 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 -1.60 2.51 0.19 1.61 2.12 -1.26 -4.98 118.70 117.30 1sou s GLU 105 Ca 0.00 -0.79 -0.26 0.00 0.36 0.00 0.00 54.97 54.29 1sou s GLU 105 Cb 0.00 -2.29 -0.08 0.00 0.26 0.00 0.00 34.13 32.02 1sou s GLU 105 CO 0.00 0.52 0.81 1.03 -0.54 0.00 0.00 175.26 177.08 1sou s ARG 106 N -0.48 4.58 -0.05 4.30 0.52 -1.26 -0.41 118.95 126.15 1sou s ARG 106 Ca 0.06 1.19 0.05 0.00 -0.52 0.00 0.00 55.73 56.52 1sou s ARG 106 Cb -0.12 -3.19 -0.02 0.00 0.52 0.00 0.00 34.95 32.14 1sou s ARG 106 CO 0.01 0.53 -0.22 0.08 0.02 0.00 0.00 175.30 175.72 1sou s VAL 107 N -1.22 2.40 0.09 3.52 1.01 0.46 -4.88 120.40 121.78 1sou s VAL 107 Ca 0.38 -0.96 0.03 0.00 0.00 0.00 0.00 61.98 61.43 1sou s VAL 107 Cb -0.23 -1.89 -0.04 0.00 0.00 0.00 0.00 36.38 34.22 1sou s VAL 107 CO 0.26 0.57 0.11 0.20 0.00 0.00 0.00 175.10 176.24 1sou s ASN 108 N -0.38 5.65 0.43 3.32 -0.87 -1.26 -4.08 114.94 117.74 1sou s ASN 108 Ca 0.03 0.02 0.24 0.00 -1.57 0.00 0.00 52.86 51.59 1sou s ASN 108 Cb -0.12 -1.55 1.26 0.00 -0.02 0.00 0.00 41.25 40.82 1sou s ASN 108 CO 0.02 0.16 1.72 -0.65 -2.57 0.00 0.00 177.10 175.78 1sou h PRO 109 N 3.16 0.24 0.00 -0.60 0.11 -1.96 0.73 132.00 133.68 1sou h PRO 109 Ca -0.47 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 65.59 1sou h PRO 109 Cb 1.17 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 1sou h PRO 109 CO 0.67 0.16 -0.18 1.49 -0.21 0.00 0.00 178.00 179.93 1sou h GLU 110 N 0.24 0.00 0.00 1.05 4.81 -1.96 -2.64 114.58 116.08 1sou h GLU 110 Ca 0.68 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.91 1sou h GLU 110 Cb 1.98 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.36 1sou h GLU 110 CO -0.31 0.18 -0.06 -3.47 -0.73 0.00 0.00 179.01 174.62 1sou n ASP 111 N -3.89 0.63 -4.72 1.04 2.03 0.25 -4.78 116.55 107.10 1sou n ASP 111 Ca -0.02 0.51 -0.40 0.00 0.52 0.00 0.00 54.79 55.40 1sou n ASP 111 Cb 0.27 -0.64 -0.04 0.00 -0.72 0.00 0.00 41.12 39.99 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 -3.08 4.89 -0.15 5.18 1.01 -1.00 -4.78 120.40 122.47 1sou s VAL 112 Ca 0.11 1.71 -0.21 0.00 0.00 0.00 0.00 61.98 63.59 1sou s VAL 112 Cb 0.14 -4.16 -0.18 0.00 0.00 0.00 0.00 36.38 32.18 1sou s VAL 112 CO 0.59 0.26 0.40 0.44 0.00 0.00 0.00 175.10 176.79 1sou h ASP 113 N 6.44 0.00 -3.51 3.32 3.32 -1.81 -3.22 116.42 120.97 1sou h ASP 113 Ca -0.42 -0.61 -0.49 0.00 0.02 0.00 0.00 57.03 55.53 1sou h ASP 113 Cb 1.21 0.00 -0.33 0.00 0.22 0.00 0.00 39.33 40.43 1sou h ASP 113 CO 0.74 1.05 -0.81 0.12 -1.72 0.00 0.00 179.24 178.63 1sou s PHE 114 N -2.17 1.30 -0.03 4.55 2.19 0.07 -1.74 117.98 122.16 1sou s PHE 114 Ca -0.19 -0.44 0.05 0.00 0.33 0.00 0.00 56.93 56.68 1sou s PHE 114 Cb 0.01 -0.96 -0.01 0.00 -1.31 0.00 0.00 43.02 40.75 1sou s PHE 114 CO 0.51 -0.23 -0.18 -1.50 1.83 0.00 0.00 175.22 175.65 1sou s ILE 115 N 0.60 1.45 -0.21 3.12 2.07 -1.02 -0.42 121.20 126.79 1sou s ILE 115 Ca -0.12 -0.76 0.02 0.00 -1.41 0.00 0.00 60.65 58.38 1sou s ILE 115 Cb -0.14 -1.23 0.04 0.00 0.13 0.00 0.00 42.46 41.25 1sou s ILE 115 CO 0.03 0.42 -0.15 0.00 -1.91 0.00 0.00 174.94 173.33 1sou s ALA 116 N -0.18 2.30 -0.20 1.50 0.00 -0.01 -1.58 121.76 123.60 1sou s ALA 116 Ca 0.01 -1.37 0.00 0.00 0.00 0.00 0.00 51.96 50.61 1sou s ALA 116 Cb -0.10 -1.32 0.02 0.00 0.00 0.00 0.00 23.12 21.72 1sou s ALA 116 CO 0.01 -0.72 -0.16 0.14 0.00 0.00 0.00 175.76 175.04 1sou s VAL 117 N 1.27 2.36 -0.33 0.00 -7.23 -0.41 -2.19 120.40 113.86 1sou s VAL 117 Ca -0.01 -0.92 -0.28 0.00 -1.81 0.00 0.00 61.98 58.96 1sou s VAL 117 Cb -0.16 -2.05 -0.02 0.00 0.56 0.00 0.00 36.38 34.71 1sou s VAL 117 CO -0.09 0.45 1.75 -2.16 -0.31 0.00 0.00 175.10 174.74 1sou s PRO 118 N 1.31 3.39 -0.19 4.82 0.04 -1.26 -1.12 135.00 141.99 1sou s PRO 118 Ca 0.04 1.39 -0.09 0.00 0.04 0.00 0.00 61.00 62.37 1sou s PRO 118 Cb -0.14 -4.17 -0.05 0.00 0.04 0.00 0.00 34.50 30.18 1sou s PRO 118 CO -0.10 -1.79 0.13 0.20 0.04 0.00 0.00 177.00 175.48 1sou s GLY 119 N 5.75 2.06 0.48 0.56 0.00 -0.68 -4.90 107.32 110.58 1sou s GLY 119 Ca 0.78 -0.68 0.15 0.00 0.00 0.00 0.00 44.72 44.96 1sou s GLY 119 CO 0.34 0.05 2.07 -2.08 0.00 0.00 0.00 173.10 173.48 1sou h VAL 120 N 4.55 1.07 -2.45 1.40 2.07 -1.92 -3.43 116.25 117.54 1sou h VAL 120 Ca -0.43 -0.31 -0.09 0.00 0.82 0.00 0.00 66.70 66.69 1sou h VAL 120 Cb 1.16 1.13 -0.22 0.00 -1.52 0.00 0.00 31.29 31.85 1sou h VAL 120 CO 0.73 0.09 -0.08 0.00 0.02 0.00 0.00 177.57 178.33 1sou s ALA 121 N -4.89 -1.32 0.20 1.67 0.00 -1.26 -4.87 121.76 111.30 1sou s ALA 121 Ca -0.05 1.37 -0.00 0.00 0.00 0.00 0.00 51.96 53.28 1sou s ALA 121 Cb 0.16 -0.68 -0.04 0.00 0.00 0.00 0.00 23.12 22.56 1sou s ALA 121 CO 0.69 -0.27 0.09 -0.06 0.00 0.00 0.00 175.76 176.21 1sou s PHE 122 N -0.05 1.23 0.00 0.00 0.08 -0.43 -4.36 117.98 114.46 1sou s PHE 122 Ca -0.03 -1.26 0.00 0.00 0.12 0.00 0.00 56.93 55.77 1sou s PHE 122 Cb -0.03 -0.66 0.00 0.00 -0.57 0.00 0.00 43.02 41.75 1sou s PHE 122 CO 0.02 -0.48 0.00 -0.40 -0.10 0.00 0.00 175.22 174.26 1sou n ASP 123 N -0.30 0.20 -0.55 1.36 5.75 -1.26 -0.40 116.55 121.36 1sou n ASP 123 Ca -0.01 -0.78 0.14 0.00 -0.01 0.00 0.00 54.79 54.13 1sou n ASP 123 Cb 0.65 0.00 0.44 0.00 -1.03 0.00 0.00 41.12 41.19 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 1.73 -0.09 -2.12 4.77 -0.33 -3.80 117.00 117.17 1sou n LEU 124 Ca 0.00 -0.57 -0.16 0.00 -0.03 0.00 0.00 56.01 55.25 1sou n LEU 124 Cb 0.00 -0.01 -0.13 0.00 -2.33 0.00 0.00 43.42 40.95 1sou n LEU 124 CO 0.00 0.29 -1.13 -0.62 -1.33 0.00 0.00 177.39 174.60 1sou n GLU 125 N 0.33 0.68 0.00 3.23 -0.58 -1.26 -4.64 120.64 118.39 1sou n GLU 125 Ca 0.18 0.15 0.00 0.00 -0.42 0.00 0.00 57.16 57.06 1sou n GLU 125 Cb 0.40 -1.58 0.00 0.00 -0.57 0.00 0.00 31.44 29.69 1sou n GLU 125 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1sou n GLY 126 N 2.03 1.00 3.84 0.62 0.00 -1.25 -4.83 105.19 106.61 1sou n GLY 126 Ca -0.38 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.43 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 2.71 0.11 1.61 2.02 -1.26 -0.93 117.35 119.61 1sou s TYR 127 Ca 0.00 -0.49 -0.23 0.00 -0.37 0.00 0.00 57.07 55.98 1sou s TYR 127 Cb 0.00 -2.07 0.06 0.00 -0.40 0.00 0.00 41.96 39.55 1sou s TYR 127 CO 0.00 -0.01 0.58 -0.98 -1.57 0.00 0.00 175.55 173.56 1sou s ARG 128 N -4.06 1.18 0.00 -0.62 1.04 -1.26 -4.00 118.95 111.23 1sou s ARG 128 Ca 0.46 -0.35 0.00 0.00 -1.04 0.00 0.00 55.73 54.80 1sou s ARG 128 Cb -0.02 0.54 0.00 0.00 -2.04 0.00 0.00 34.95 33.43 1sou s ARG 128 CO 0.27 -0.48 0.00 1.28 -0.04 0.00 0.00 175.30 176.33 1sou n LEU 129 N -0.04 0.24 0.00 -1.89 4.32 -1.26 -5.06 117.00 113.30 1sou n LEU 129 Ca -0.17 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.82 1sou n LEU 129 Cb 0.63 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.43 1sou n LEU 129 CO 0.16 0.00 0.00 0.61 -1.22 0.00 0.00 177.39 176.94 1sou n GLY 130 N 2.93 0.19 0.63 -0.72 0.00 -1.26 -5.03 105.19 101.93 1sou n GLY 130 Ca 0.00 -1.61 -0.05 0.00 0.00 0.00 0.00 46.02 44.36 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 9.00 0.00 -3.84 1.61 7.35 -1.26 -4.94 117.46 125.38 1sou n PHE 131 Ca 0.00 0.00 -0.08 0.00 -0.76 0.00 0.00 57.45 56.61 1sou n PHE 131 Cb 0.00 -0.25 -0.02 0.00 0.35 0.00 0.00 39.48 39.56 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 2.55 2.64 3.78 7.13 0.00 -1.26 -5.15 105.19 114.89 1sou n GLY 132 Ca -0.09 -1.52 -0.39 0.00 0.00 0.00 0.00 46.02 44.03 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 -2.43 4.44 0.00 1.61 1.02 -1.26 -4.99 119.74 118.14 1sou s LYS 133 Ca 0.15 1.01 0.00 0.00 0.02 0.00 0.00 55.97 57.15 1sou s LYS 133 Cb -0.00 -3.27 0.00 0.00 -0.52 0.00 0.00 37.83 34.03 1sou s LYS 133 CO 0.11 0.54 0.00 0.41 -0.92 0.00 0.00 175.35 175.49 1sou n GLY 134 N 1.78 -0.88 1.97 -3.33 0.00 -1.26 -4.98 105.19 98.48 1sou n GLY 134 Ca -0.07 -0.74 -0.15 0.00 0.00 0.00 0.00 46.02 45.06 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 1.02 2.43 0.21 1.61 4.02 -1.25 -4.40 117.16 120.79 1sou n TYR 135 Ca 0.00 -1.44 0.06 0.00 -0.01 0.00 0.00 57.90 56.52 1sou n TYR 135 Cb 0.00 -0.76 0.46 0.00 -0.02 0.00 0.00 39.34 39.01 1sou n TYR 135 CO 0.00 0.00 0.00 1.88 -1.01 0.00 0.00 176.86 177.73 1sou h TYR 136 N 1.33 0.00 -0.12 -0.72 0.05 -1.93 -2.29 116.97 113.29 1sou h TYR 136 Ca 0.43 0.00 -0.14 0.00 0.05 0.00 0.00 58.73 59.08 1sou h TYR 136 Cb 2.42 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 40.15 1sou h TYR 136 CO 1.27 0.30 -0.53 0.38 -1.05 0.00 0.00 178.16 178.52 1sou h ASP 137 N 0.00 0.38 -0.04 3.88 2.03 -1.99 -2.15 116.42 118.53 1sou h ASP 137 Ca -0.00 -0.20 -0.10 0.00 -0.73 0.00 0.00 57.03 56.00 1sou h ASP 137 Cb 0.64 -0.11 -0.01 0.00 -0.83 0.00 0.00 39.33 39.02 1sou h ASP 137 CO 0.04 0.84 -0.26 0.03 -1.03 0.00 0.00 179.24 178.86 1sou h ARG 138 N 0.27 0.47 0.45 4.15 2.47 -1.75 -1.45 114.38 118.99 1sou h ARG 138 Ca 0.01 -0.18 -0.02 0.00 -1.26 0.00 0.00 59.98 58.53 1sou h ARG 138 Cb 1.02 -0.03 0.00 0.00 -1.65 0.00 0.00 29.97 29.32 1sou h ARG 138 CO 0.09 0.69 -0.21 1.25 0.56 0.00 0.00 179.97 182.34 1sou h LEU 139 N 0.41 -0.51 -1.15 3.04 5.85 -1.41 -3.05 115.31 118.49 1sou h LEU 139 Ca 0.06 -0.02 0.04 0.00 0.84 0.00 0.00 57.88 58.79 1sou h LEU 139 Cb 0.67 0.13 -0.05 0.00 0.37 0.00 0.00 40.66 41.78 1sou h LEU 139 CO 0.05 -0.08 0.58 -0.07 -0.34 0.00 0.00 178.44 178.58 1sou h LEU 140 N -1.13 0.94 -0.02 2.25 3.38 -1.38 -0.30 115.31 119.06 1sou h LEU 140 Ca -0.06 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1sou h LEU 140 Cb 0.50 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.03 1sou h LEU 140 CO 0.10 0.65 0.00 1.17 0.09 0.00 0.00 178.44 180.45 1sou n LYS 141 N -4.45 0.06 0.00 1.13 4.81 -0.55 -2.72 118.16 116.44 1sou n LYS 141 Ca 0.12 0.08 0.07 0.00 -0.87 0.00 0.00 58.31 57.71 1sou n LYS 141 Cb 0.11 -1.58 -0.02 0.00 0.02 0.00 0.00 35.03 33.57 1sou n LYS 141 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1sou n ARG 142 N -1.68 1.99 -1.65 1.64 1.74 -0.34 -4.96 116.66 113.39 1sou n ARG 142 Ca 0.06 -0.58 -0.45 0.00 -0.77 0.00 0.00 57.85 56.11 1sou n ARG 142 Cb 0.34 -1.19 -0.04 0.00 -1.02 0.00 0.00 32.46 30.55 1sou n ARG 142 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1sou n VAL 143 N -0.41 0.63 1.45 1.55 0.31 -0.27 -4.64 118.33 116.95 1sou n VAL 143 Ca 0.05 -0.17 0.14 0.00 -0.01 0.00 0.00 64.34 64.35 1sou n VAL 143 Cb 0.28 -2.15 0.55 0.00 -0.91 0.00 0.00 33.84 31.61 1sou n VAL 143 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 1sou n LYS 144 N 7.37 1.12 -0.15 5.55 4.81 -1.23 -4.83 118.16 130.80 1sou n LYS 144 Ca 0.23 -0.55 0.00 0.00 -0.87 0.00 0.00 58.31 57.12 1sou n LYS 144 Cb 0.36 -1.49 0.00 0.00 0.02 0.00 0.00 35.03 33.92 1sou n LYS 144 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1sou n GLY 145 N 1.23 1.39 3.74 3.14 0.00 -1.22 -5.01 105.19 108.46 1sou n GLY 145 Ca 0.16 -1.98 -0.38 0.00 0.00 0.00 0.00 46.02 43.83 1sou n GLY 145 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sou s LEU 146 N 0.00 4.30 -0.42 0.99 1.02 -0.71 -4.99 118.68 118.86 1sou s LEU 146 Ca 0.00 0.76 -0.20 0.00 0.02 0.00 0.00 54.13 54.71 1sou s LEU 146 Cb 0.00 -2.60 0.02 0.00 0.02 0.00 0.00 46.19 43.63 1sou s LEU 146 CO 0.00 0.07 0.59 -0.54 0.02 0.00 0.00 176.35 176.49 1sou s LYS 147 N 0.34 3.28 -0.17 1.70 3.01 -1.26 -2.45 119.74 124.19 1sou s LYS 147 Ca 0.23 -0.42 -0.03 0.00 -1.01 0.00 0.00 55.97 54.73 1sou s LYS 147 Cb -0.15 -3.94 -0.02 0.00 -1.01 0.00 0.00 37.83 32.71 1sou s LYS 147 CO 0.09 -0.93 -0.04 0.08 0.51 0.00 0.00 175.35 175.05 1sou s VAL 148 N 2.63 3.75 -0.16 3.17 1.01 -0.61 -0.43 120.40 129.76 1sou s VAL 148 Ca 0.20 -0.40 -0.10 0.00 0.00 0.00 0.00 61.98 61.68 1sou s VAL 148 Cb -0.15 -2.65 -0.05 0.00 0.00 0.00 0.00 36.38 33.53 1sou s VAL 148 CO 0.17 0.48 0.18 -0.83 0.00 0.00 0.00 175.10 175.10 1sou s GLY 149 N 0.57 2.12 -0.21 4.51 0.00 0.12 -1.29 107.32 113.13 1sou s GLY 149 Ca -0.03 -0.61 -0.05 0.00 0.00 0.00 0.00 44.72 44.03 1sou s GLY 149 CO 0.03 0.07 -0.01 0.14 0.00 0.00 0.00 173.10 173.33 1sou s VAL 150 N -0.03 3.76 0.25 1.40 1.01 -0.28 -1.17 120.40 125.34 1sou s VAL 150 Ca 0.12 -0.37 -0.20 0.00 0.00 0.00 0.00 61.98 61.53 1sou s VAL 150 Cb -0.12 -2.71 0.02 0.00 0.00 0.00 0.00 36.38 33.58 1sou s VAL 150 CO 0.01 0.42 0.65 0.00 0.00 0.00 0.00 175.10 176.18 1sou s ALA 151 N 1.24 -1.10 0.66 5.51 0.00 -1.04 -1.69 121.76 125.33 1sou s ALA 151 Ca 0.03 -0.29 -0.03 0.00 0.00 0.00 0.00 51.96 51.67 1sou s ALA 151 Cb -0.15 0.88 0.06 0.00 0.00 0.00 0.00 23.12 23.92 1sou s ALA 151 CO 0.00 -0.96 0.93 0.71 0.00 0.00 0.00 175.76 176.45 1sou s TYR 152 N -3.91 2.74 0.45 0.00 2.02 -1.26 -4.00 117.35 113.39 1sou s TYR 152 Ca 0.11 0.20 0.21 0.00 -0.37 0.00 0.00 57.07 57.23 1sou s TYR 152 Cb -0.04 -3.04 1.28 0.00 -0.40 0.00 0.00 41.96 39.76 1sou s TYR 152 CO 0.04 -1.28 2.05 0.66 -1.57 0.00 0.00 175.55 175.46 1sou h SER 153 N -0.38 0.00 0.58 2.29 4.64 -1.96 -1.93 113.55 116.79 1sou h SER 153 Ca -0.43 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 60.84 1sou h SER 153 Cb 1.30 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.39 1sou h SER 153 CO 0.55 0.14 -0.23 -0.26 -0.87 0.00 0.00 176.83 176.16 1sou h PHE 154 N 0.00 0.00 -0.23 4.77 0.04 -2.02 -2.51 116.94 117.00 1sou h PHE 154 Ca -0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1sou h PHE 154 Cb 0.29 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.44 1sou h PHE 154 CO 0.00 0.23 0.00 1.04 -0.60 0.00 0.00 178.31 178.98 1sou n GLN 155 N -3.63 1.96 -3.15 1.51 3.00 -0.73 -4.81 117.38 111.53 1sou n GLN 155 Ca -0.01 -1.44 -0.42 0.00 -0.01 0.00 0.00 57.00 55.12 1sou n GLN 155 Cb 0.35 -1.43 -0.07 0.00 0.00 0.00 0.00 30.24 29.10 1sou n GLN 155 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.06 177.14 1sou s VAL 156 N -1.71 4.91 0.55 5.09 1.01 -0.95 -1.31 120.40 127.99 1sou s VAL 156 Ca 0.34 0.35 0.07 0.00 0.00 0.00 0.00 61.98 62.74 1sou s VAL 156 Cb 0.19 -4.08 0.05 0.00 0.00 0.00 0.00 36.38 32.54 1sou s VAL 156 CO 0.28 -0.38 0.52 -0.36 0.00 0.00 0.00 175.10 175.16 1sou s PHE 157 N 2.64 1.55 -0.09 5.22 0.08 0.47 -4.98 117.98 122.87 1sou s PHE 157 Ca 0.22 -0.81 -0.18 0.00 0.12 0.00 0.00 56.93 56.28 1sou s PHE 157 Cb -0.15 -2.00 -0.15 0.00 -0.57 0.00 0.00 43.02 40.16 1sou s PHE 157 CO 0.16 -0.68 0.64 0.93 -0.10 0.00 0.00 175.22 176.16 1sou h GLU 158 N 0.58 -0.11 -2.92 0.44 3.07 -1.93 -3.05 114.58 110.66 1sou h GLU 158 Ca -0.35 0.01 -0.14 0.00 -0.50 0.00 0.00 59.36 58.38 1sou h GLU 158 Cb 1.30 0.02 -0.25 0.00 -0.84 0.00 0.00 28.75 28.98 1sou h GLU 158 CO 0.52 0.38 -0.33 0.50 -1.40 0.00 0.00 179.01 178.68 1sou s ARG 159 N -2.65 0.39 0.23 2.33 3.52 -1.26 -1.18 118.95 120.32 1sou s ARG 159 Ca -0.11 0.48 0.03 0.00 -0.13 0.00 0.00 55.73 56.00 1sou s ARG 159 Cb -0.01 0.18 -0.03 0.00 -1.56 0.00 0.00 34.95 33.53 1sou s ARG 159 CO 0.42 -0.05 0.37 -0.51 -0.81 0.00 0.00 175.30 174.72 1sou s LEU 160 N 0.24 4.28 -0.38 -0.88 1.43 -1.26 -4.99 118.68 117.11 1sou s LEU 160 Ca -0.01 0.17 -0.27 0.00 -1.03 0.00 0.00 54.13 52.99 1sou s LEU 160 Cb -0.03 -2.96 -0.04 0.00 0.03 0.00 0.00 46.19 43.19 1sou s LEU 160 CO -0.00 -0.07 2.10 -2.84 0.23 0.00 0.00 176.35 175.77 1sou s PRO 161 N -3.80 2.83 -0.64 1.29 0.02 -1.26 -4.92 135.00 128.52 1sou s PRO 161 Ca 0.35 1.49 -0.27 0.00 0.02 0.00 0.00 61.00 62.59 1sou s PRO 161 Cb -0.10 -4.39 -0.00 0.00 0.02 0.00 0.00 34.50 30.04 1sou s PRO 161 CO 0.30 -2.45 1.62 -0.98 -0.33 0.00 0.00 177.00 175.16 1sou s ARG 162 N 6.79 2.90 0.00 5.54 1.70 -1.26 -4.90 118.95 129.72 1sou s ARG 162 Ca 0.89 0.35 0.00 0.00 -0.47 0.00 0.00 55.73 56.50 1sou s ARG 162 Cb -0.23 -4.29 0.00 0.00 -0.57 0.00 0.00 34.95 29.87 1sou s ARG 162 CO 0.30 -2.43 0.24 -3.47 -1.08 0.00 0.00 175.30 168.86 1sou n ASP 163 N 11.24 0.00 0.00 -2.89 2.03 -1.26 -5.05 116.55 120.62 1sou n ASP 163 Ca 0.14 0.31 0.00 0.00 0.52 0.00 0.00 54.79 55.76 1sou n ASP 163 Cb 0.51 -0.11 0.00 0.00 -0.72 0.00 0.00 41.12 40.80 1sou n ASP 163 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1sou n ALA 164 N -0.82 0.00 1.58 -1.67 0.00 -1.26 -5.01 120.51 113.34 1sou n ALA 164 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.59 1sou n ALA 164 Cb 0.00 0.00 0.79 0.00 0.00 0.00 0.00 19.45 20.24 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 -1.99 0.00 -1.92 0.00 8.01 -1.26 -4.89 117.44 115.39 1sou n TRP 165 Ca 0.00 0.00 -0.15 0.00 -1.31 0.00 0.00 57.50 56.04 1sou n TRP 165 Cb 0.00 -0.19 0.09 0.00 -2.01 0.00 0.00 31.31 29.21 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 -1.14 0.36 -3.87 -0.99 -0.08 -1.26 -5.10 116.55 104.47 1sou n ASP 166 Ca 0.17 -1.43 -0.19 0.00 -1.51 0.00 0.00 54.79 51.82 1sou n ASP 166 Cb 0.21 -0.48 -0.16 0.00 2.34 0.00 0.00 41.12 43.03 1sou n ASP 166 CO 0.00 0.00 0.00 -0.51 0.12 0.00 0.00 177.20 176.81 1sou s ILE 167 N -2.20 0.45 0.73 5.18 1.10 -1.26 -5.10 121.20 120.10 1sou s ILE 167 Ca 0.40 -0.07 -0.11 0.00 -0.51 0.00 0.00 60.65 60.37 1sou s ILE 167 Cb -0.02 -0.49 0.03 0.00 0.15 0.00 0.00 42.46 42.13 1sou s ILE 167 CO 0.28 0.21 1.08 -2.16 -2.11 0.00 0.00 174.94 172.23 1sou s PRO 168 N 0.97 2.60 0.59 3.50 0.04 -1.26 -4.87 135.00 136.57 1sou s PRO 168 Ca -0.10 1.08 -0.00 0.00 0.04 0.00 0.00 61.00 62.01 1sou s PRO 168 Cb -0.14 -1.94 0.12 0.00 0.04 0.00 0.00 34.50 32.57 1sou s PRO 168 CO -0.00 -1.37 0.81 1.33 0.04 0.00 0.00 177.00 177.81 1sou n VAL 169 N -3.29 0.00 -0.11 -0.36 0.24 -0.11 -5.01 118.33 109.71 1sou n VAL 169 Ca 0.08 -1.27 -0.17 0.00 -2.04 0.00 0.00 64.34 60.94 1sou n VAL 169 Cb 0.53 -0.99 -0.06 0.00 -1.47 0.00 0.00 33.84 31.86 1sou n VAL 169 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1sou n ASP 170 N -2.93 1.92 -4.13 -1.34 8.00 0.43 -4.91 116.55 113.59 1sou n ASP 170 Ca 0.13 0.33 -0.23 0.00 0.71 0.00 0.00 54.79 55.73 1sou n ASP 170 Cb 0.48 -0.76 -0.15 0.00 -0.02 0.00 0.00 41.12 40.67 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 -2.74 1.22 -0.27 2.53 1.01 -1.03 -3.27 120.40 117.86 1sou s VAL 171 Ca -0.32 -0.67 -0.05 0.00 0.00 0.00 0.00 61.98 60.93 1sou s VAL 171 Cb 0.08 -1.02 0.01 0.00 0.00 0.00 0.00 36.38 35.45 1sou s VAL 171 CO 0.44 0.33 0.02 -0.22 0.00 0.00 0.00 175.10 175.68 1sou s LEU 172 N -0.39 3.50 -0.20 3.92 2.96 0.55 -0.71 118.68 128.31 1sou s LEU 172 Ca 0.06 -0.68 -0.06 0.00 -0.22 0.00 0.00 54.13 53.23 1sou s LEU 172 Cb -0.06 -1.80 -0.03 0.00 0.50 0.00 0.00 46.19 44.80 1sou s LEU 172 CO -0.01 -0.14 0.03 -0.69 -1.32 0.00 0.00 176.35 174.22 1sou s VAL 173 N 1.46 4.23 0.00 1.68 1.01 -0.32 -0.69 120.40 127.77 1sou s VAL 173 Ca 0.03 -0.22 0.00 0.00 0.00 0.00 0.00 61.98 61.79 1sou s VAL 173 Cb -0.16 -2.92 0.00 0.00 0.00 0.00 0.00 36.38 33.29 1sou s VAL 173 CO -0.00 0.42 0.00 0.35 0.00 0.00 0.00 175.10 175.87 1sou n THR 174 N 4.18 0.00 0.20 3.92 -2.24 0.31 -2.51 114.28 118.13 1sou n THR 174 Ca -0.17 0.00 0.06 0.00 -2.27 0.00 0.00 64.05 61.67 1sou n THR 174 Cb 0.52 -0.02 0.42 0.00 -2.10 0.00 0.00 70.33 69.15 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 -1.88 -3.35 114.58 112.67 1sou h GLU 175 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1sou h GLU 175 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1sou h GLU 175 CO 0.00 0.33 -0.71 1.63 0.07 0.00 0.00 179.01 180.33 1sou n LYS 176 N -3.79 1.92 -4.35 1.06 5.02 -1.26 -4.25 118.16 112.51 1sou n LYS 176 Ca -0.01 0.00 -0.19 0.00 -2.02 0.00 0.00 58.31 56.09 1sou n LYS 176 Cb 0.41 -0.85 -0.14 0.00 -0.02 0.00 0.00 35.03 34.43 1sou n LYS 176 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 1sou s ASN 177 N -1.56 1.35 -0.40 4.39 0.02 -1.26 -5.10 114.94 112.39 1sou s ASN 177 Ca 0.00 -0.34 -0.05 0.00 -1.02 0.00 0.00 52.86 51.45 1sou s ASN 177 Cb 0.00 -0.10 0.10 0.00 0.02 0.00 0.00 41.25 41.26 1sou s ASN 177 CO 0.00 0.05 0.20 -0.69 0.02 0.00 0.00 177.10 176.68 1sou s VAL 178 N -0.63 3.51 -0.23 1.60 1.01 -1.26 -0.53 120.40 123.87 1sou s VAL 178 Ca 0.01 -1.80 0.02 0.00 0.00 0.00 0.00 61.98 60.21 1sou s VAL 178 Cb -0.06 -3.29 0.05 0.00 0.00 0.00 0.00 36.38 33.08 1sou s VAL 178 CO 0.00 -0.58 -0.11 -0.60 0.00 0.00 0.00 175.10 173.82 1sou s ARG 179 N 1.23 2.15 0.59 2.72 3.52 0.13 -4.99 118.95 124.32 1sou s ARG 179 Ca 0.05 -1.08 -0.17 0.00 -0.13 0.00 0.00 55.73 54.39 1sou s ARG 179 Cb -0.23 -2.67 -0.03 0.00 -1.56 0.00 0.00 34.95 30.46 1sou s ARG 179 CO -0.02 -0.50 1.11 0.50 -0.81 0.00 0.00 175.30 175.58 1sou s ARG 180 N 1.26 3.14 -1.42 5.12 3.52 -1.26 -0.33 118.95 128.98 1sou s ARG 180 Ca -0.05 1.48 -0.13 0.00 -0.13 0.00 0.00 55.73 56.91 1sou s ARG 180 Cb -0.18 -1.99 -0.03 0.00 -1.56 0.00 0.00 34.95 31.19 1sou s ARG 180 CO -0.07 -0.99 2.47 1.28 -0.81 0.00 0.00 175.30 177.17 1sou n LEU 181 N -1.80 7.17 -3.88 -0.88 7.99 -1.20 -4.73 117.00 119.66 1sou n LEU 181 Ca 0.11 -4.01 -0.23 0.00 -0.01 0.00 0.00 56.01 51.86 1sou n LEU 181 Cb 0.52 -1.53 -0.17 0.00 -0.11 0.00 0.00 43.42 42.13 1sou n LEU 181 CO 0.45 1.30 -0.42 -0.60 -1.51 0.00 0.00 177.39 176.60 1sou s ARG 182 N 3.00 1.10 -0.19 3.23 3.52 -1.26 -4.93 118.95 123.42 1sou s ARG 182 Ca 0.56 -0.14 -0.09 0.00 -0.13 0.00 0.00 55.73 55.93 1sou s ARG 182 Cb 0.15 -1.17 -0.05 0.00 -1.56 0.00 0.00 34.95 32.33 1sou s ARG 182 CO -0.06 -0.17 0.11 0.34 -0.81 0.00 0.00 175.30 174.71 1sou s ASP 183 N 1.37 6.02 -1.20 -2.12 2.15 -1.26 -5.00 116.67 116.62 1sou s ASP 183 Ca -0.03 0.19 -0.06 0.00 0.43 0.00 0.00 52.55 53.08 1sou s ASP 183 Cb -0.14 -2.04 0.05 0.00 -0.30 0.00 0.00 42.92 40.50 1sou s ASP 183 CO -0.03 0.19 2.61 0.61 -0.17 0.00 0.00 175.17 178.38 1sou n GLY 184 N 3.45 4.82 3.69 2.66 0.00 -1.26 -4.96 105.19 113.59 1sou n GLY 184 Ca -0.16 -1.89 -0.42 0.00 0.00 0.00 0.00 46.02 43.55 1sou n GLY 184 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1sou s ARG 185 N -0.51 4.26 -0.96 1.61 3.52 -1.26 -4.93 118.95 120.67 1sou s ARG 185 Ca 0.58 2.10 -0.20 0.00 -0.13 0.00 0.00 55.73 58.08 1sou s ARG 185 Cb 0.22 -3.53 0.10 0.00 -1.56 0.00 0.00 34.95 30.17 1sou s ARG 185 CO -0.10 -0.61 1.24 -1.12 -0.81 0.00 0.00 175.30 173.90 1sou s SER 186 N 1.94 6.57 0.00 -2.12 0.01 -1.26 -3.78 113.70 115.06 1sou s SER 186 Ca 0.67 -1.81 0.00 0.00 1.31 0.00 0.00 55.95 56.12 1sou s SER 186 Cb -0.35 -2.46 0.00 0.00 0.21 0.00 0.00 66.02 63.42 1sou s SER 186 CO 0.29 -1.23 0.00 -0.11 0.41 0.00 0.00 173.24 172.60 1sou n LEU 187 N 7.41 0.00 0.00 2.44 0.00 -1.26 -5.02 117.00 120.57 1sou n LEU 187 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.28 1sou n LEU 187 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.92 1sou n LEU 187 CO 0.56 0.00 0.00 1.21 0.00 0.00 0.00 177.39 179.16 1sou n GLU 188 N 0.00 0.00 -0.19 1.96 0.00 -1.25 -2.96 120.64 118.20 1sou n GLU 188 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 1sou n GLU 188 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.44 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 2.52 0.00 -1.06 4.31 8.25 -1.26 -4.97 115.22 123.01 1sou n HIS 189 Ca 0.00 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.44 1sou n HIS 189 Cb 0.00 0.08 -0.01 0.00 1.12 0.00 0.00 29.99 31.18 1sou n HIS 189 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 1sou n HIS 190 N 0.00 0.00 -0.13 4.41 -0.00 -1.16 -4.81 115.22 113.53 1sou n HIS 190 Ca 0.00 0.00 -0.26 0.00 -0.00 0.00 0.00 57.72 57.46 1sou n HIS 190 Cb 0.54 -1.45 -0.11 0.00 -0.00 0.00 0.00 29.99 28.98 1sou n HIS 190 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 1sou n HIS 191 N -2.41 0.10 -4.02 1.57 -0.00 -1.26 -4.92 115.22 104.28 1sou n HIS 191 Ca -0.02 0.04 -0.29 0.00 -0.00 0.00 0.00 57.72 57.44 1sou n HIS 191 Cb 0.33 -1.01 -0.06 0.00 -0.00 0.00 0.00 29.99 29.26 1sou n HIS 191 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 1sou s HIS 192 N -2.50 3.27 -0.24 1.57 3.76 -1.26 -5.11 115.29 114.78 1sou s HIS 192 Ca -0.37 0.10 -0.09 0.00 -0.15 0.00 0.00 55.06 54.55 1sou s HIS 192 Cb 0.13 -1.63 -0.04 0.00 1.11 0.00 0.00 32.58 32.14 1sou s HIS 192 CO 0.53 0.53 0.12 -1.58 -0.85 0.00 0.00 174.74 173.50 1sou s HIS 193 N -1.50 3.21 0.00 1.40 2.46 -1.26 -4.27 115.29 115.32 1sou s HIS 193 Ca 0.31 -0.02 0.00 0.00 0.47 0.00 0.00 55.06 55.82 1sou s HIS 193 Cb -0.12 -2.24 0.00 0.00 -0.13 0.00 0.00 32.58 30.09 1sou s HIS 193 CO 0.24 -0.09 0.20 1.58 -2.47 0.00 0.00 174.74 174.20