#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sou n LEU 2 N 0.00 0.24 0.03 -0.89 4.77 -1.26 -3.77 117.00 116.12 1sou n LEU 2 Ca 0.00 0.14 0.03 0.00 -0.03 0.00 0.00 56.01 56.15 1sou n LEU 2 Cb 0.00 -0.23 0.40 0.00 -2.33 0.00 0.00 43.42 41.26 1sou n LEU 2 CO 0.00 0.04 1.07 0.07 -1.33 0.00 0.00 177.39 177.24 1sou h LYS 3 N 0.27 0.47 0.03 3.23 2.10 -1.99 0.27 116.57 120.95 1sou h LYS 3 Ca 0.00 -0.05 -0.23 0.00 -2.00 0.00 0.00 60.65 58.37 1sou h LYS 3 Cb 0.32 -0.09 -0.02 0.00 -0.90 0.00 0.00 32.23 31.54 1sou h LYS 3 CO 0.00 0.39 -1.10 0.77 -2.00 0.00 0.00 179.45 177.51 1sou h SER 4 N 0.47 0.11 0.94 7.07 0.02 -1.99 -3.14 113.55 117.04 1sou h SER 4 Ca 0.12 -0.13 -0.22 0.00 -0.84 0.00 0.00 61.79 60.73 1sou h SER 4 Cb 0.09 -0.04 -0.03 0.00 0.14 0.00 0.00 62.40 62.56 1sou h SER 4 CO -0.01 1.10 -1.09 -0.33 -1.14 0.00 0.00 176.83 175.36 1sou h GLU 5 N 0.02 0.00 -0.80 3.45 5.08 -1.61 -3.14 114.58 117.57 1sou h GLU 5 Ca -0.06 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.34 1sou h GLU 5 Cb 1.83 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 31.03 1sou h GLU 5 CO 0.15 0.88 0.51 1.25 -1.00 0.00 0.00 179.01 180.79 1sou h LEU 6 N 0.00 0.83 -1.51 1.33 5.85 -0.56 -2.40 115.31 118.85 1sou h LEU 6 Ca -0.06 0.00 0.05 0.00 0.84 0.00 0.00 57.88 58.71 1sou h LEU 6 Cb 1.78 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 42.61 1sou h LEU 6 CO 0.12 0.56 0.39 -0.09 -0.34 0.00 0.00 178.44 179.07 1sou h ARG 7 N 0.97 0.60 -0.06 1.25 2.43 -1.49 -2.20 114.38 115.89 1sou h ARG 7 Ca 0.33 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.46 1sou h ARG 7 Cb 0.05 -0.14 -0.00 0.00 -0.42 0.00 0.00 29.97 29.46 1sou h ARG 7 CO -0.13 0.40 0.01 0.87 -1.51 0.00 0.00 179.97 179.62 1sou h LYS 8 N 0.62 0.09 -0.05 0.20 1.57 -1.46 0.74 116.57 118.29 1sou h LYS 8 Ca 0.24 -0.02 -0.14 0.00 -1.87 0.00 0.00 60.65 58.86 1sou h LYS 8 Cb 0.18 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.47 1sou h LYS 8 CO -0.07 0.30 -0.62 1.57 -0.57 0.00 0.00 179.45 180.06 1sou h LYS 9 N -0.13 0.17 -0.21 3.15 2.10 -1.51 0.23 116.57 120.38 1sou h LYS 9 Ca 0.02 -0.12 -0.13 0.00 -2.00 0.00 0.00 60.65 58.42 1sou h LYS 9 Cb 0.25 0.02 -0.01 0.00 -0.90 0.00 0.00 32.23 31.59 1sou h LYS 9 CO 0.00 0.73 -0.42 0.28 -2.00 0.00 0.00 179.45 178.04 1sou h VAL 10 N 0.12 1.31 0.09 0.07 2.07 -1.31 0.58 116.25 119.18 1sou h VAL 10 Ca -0.01 -1.58 -0.00 0.00 0.82 0.00 0.00 66.70 65.93 1sou h VAL 10 Cb 1.12 1.60 0.00 0.00 -1.52 0.00 0.00 31.29 32.48 1sou h VAL 10 CO 0.09 0.49 -0.04 0.25 0.02 0.00 0.00 177.57 178.38 1sou h LEU 11 N 0.41 -0.10 -1.74 2.57 5.85 -0.46 0.81 115.31 122.63 1sou h LEU 11 Ca 0.03 -0.22 0.02 0.00 0.84 0.00 0.00 57.88 58.55 1sou h LEU 11 Cb 0.90 0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.94 1sou h LEU 11 CO 0.08 0.16 0.20 -0.74 -0.34 0.00 0.00 178.44 177.80 1sou h HIS 12 N -0.37 0.32 0.12 1.25 2.76 -0.82 -0.77 115.15 117.64 1sou h HIS 12 Ca -0.01 0.01 -0.30 0.00 -2.20 0.00 0.00 60.37 57.87 1sou h HIS 12 Cb 0.31 -0.11 0.03 0.00 1.55 0.00 0.00 27.41 29.19 1sou h HIS 12 CO 0.01 0.20 -1.25 -0.22 -1.30 0.00 0.00 177.93 175.37 1sou h LYS 13 N 0.34 0.64 -0.50 5.26 3.64 -0.72 -2.36 116.57 122.87 1sou h LYS 13 Ca 0.12 -0.84 -0.09 0.00 -1.27 0.00 0.00 60.65 58.56 1sou h LYS 13 Cb 0.05 0.28 -0.02 0.00 -0.41 0.00 0.00 32.23 32.13 1sou h LYS 13 CO -0.03 1.39 -0.05 -0.09 -2.27 0.00 0.00 179.45 178.40 1sou h ARG 14 N 0.29 0.88 -0.34 1.90 2.43 -0.17 -2.17 114.38 117.20 1sou h ARG 14 Ca -0.19 -0.28 0.00 0.00 -0.81 0.00 0.00 59.98 58.70 1sou h ARG 14 Cb 1.92 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 31.38 1sou h ARG 14 CO 0.24 0.91 0.00 0.44 -1.51 0.00 0.00 179.97 180.05 1sou n ILE 15 N -4.18 0.45 0.29 1.20 -5.35 -0.36 -3.54 119.36 107.87 1sou n ILE 15 Ca 0.02 -0.51 0.12 0.00 -0.27 0.00 0.00 62.75 62.11 1sou n ILE 15 Cb 0.35 0.36 0.13 0.00 -1.74 0.00 0.00 39.64 38.74 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 2.53 0.00 -4.04 7.28 -1.24 -0.82 -3.46 115.58 115.83 1sou h ASN 16 Ca 0.00 -0.04 -0.54 0.00 0.71 0.00 0.00 56.30 56.42 1sou h ASN 16 Cb 0.57 0.00 0.13 0.00 0.73 0.00 0.00 38.32 39.75 1sou h ASN 16 CO 0.00 0.02 0.59 -0.76 -1.29 0.00 0.00 177.43 175.99 1sou s LEU 17 N -5.32 3.88 0.48 0.34 1.43 -1.23 -4.95 118.68 113.31 1sou s LEU 17 Ca 0.04 2.70 -0.24 0.00 -1.03 0.00 0.00 54.13 55.61 1sou s LEU 17 Cb 0.09 -4.26 -0.07 0.00 0.03 0.00 0.00 46.19 41.98 1sou s LEU 17 CO 0.72 -1.47 1.34 -0.44 0.23 0.00 0.00 176.35 176.73 1sou s SER 18 N -1.00 5.76 0.15 2.29 0.01 -1.26 -4.85 113.70 114.79 1sou s SER 18 Ca 0.70 2.72 -0.08 0.00 1.31 0.00 0.00 55.95 60.59 1sou s SER 18 Cb -0.39 -2.64 -0.02 0.00 0.21 0.00 0.00 66.02 63.19 1sou s SER 18 CO 0.46 -1.23 1.44 -0.33 0.41 0.00 0.00 173.24 173.99 1sou h GLU 19 N 2.01 0.76 -0.65 12.44 5.08 -1.95 0.13 114.58 132.40 1sou h GLU 19 Ca -0.50 -0.49 -0.08 0.00 -1.00 0.00 0.00 59.36 57.29 1sou h GLU 19 Cb 1.27 0.06 -0.03 0.00 0.50 0.00 0.00 28.75 30.56 1sou h GLU 19 CO 0.60 1.11 0.11 0.93 -1.00 0.00 0.00 179.01 180.76 1sou h GLU 20 N 0.58 1.07 -0.79 2.33 5.08 -2.00 -0.23 114.58 120.63 1sou h GLU 20 Ca 0.01 -0.28 -0.03 0.00 -1.00 0.00 0.00 59.36 58.06 1sou h GLU 20 Cb 1.15 -0.13 -0.04 0.00 0.50 0.00 0.00 28.75 30.24 1sou h GLU 20 CO 0.12 0.98 0.37 1.49 -1.00 0.00 0.00 179.01 180.97 1sou h GLU 21 N 1.01 1.14 -0.81 2.33 4.57 -1.89 -2.75 114.58 118.17 1sou h GLU 21 Ca 0.20 -0.17 -0.00 0.00 -1.18 0.00 0.00 59.36 58.21 1sou h GLU 21 Cb 0.43 -0.20 -0.04 0.00 -0.16 0.00 0.00 28.75 28.78 1sou h GLU 21 CO 0.01 0.89 0.50 -0.09 -1.18 0.00 0.00 179.01 179.14 1sou h ARG 22 N 1.12 1.09 -0.87 1.92 2.43 0.08 0.61 114.38 120.76 1sou h ARG 22 Ca 0.27 -0.09 0.07 0.00 -0.81 0.00 0.00 59.98 59.42 1sou h ARG 22 Cb 0.13 -0.23 -0.06 0.00 -0.42 0.00 0.00 29.97 29.38 1sou h ARG 22 CO -0.03 0.76 0.54 0.00 -1.51 0.00 0.00 179.97 179.72 1sou h ARG 23 N 1.11 0.93 -0.19 0.20 2.47 -0.79 0.17 114.38 118.29 1sou h ARG 23 Ca 0.29 -0.06 -0.13 0.00 -1.26 0.00 0.00 59.98 58.83 1sou h ARG 23 Cb -0.06 -0.21 0.00 0.00 -1.65 0.00 0.00 29.97 28.05 1sou h ARG 23 CO -0.06 0.61 -0.38 -0.09 0.56 0.00 0.00 179.97 180.62 1sou h ARG 24 N 0.96 0.59 -0.42 0.04 2.43 -1.07 -2.52 114.38 114.38 1sou h ARG 24 Ca 0.39 -0.38 -0.12 0.00 -0.81 0.00 0.00 59.98 59.06 1sou h ARG 24 Cb 0.22 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.80 1sou h ARG 24 CO -0.19 1.00 -0.21 -0.07 -1.51 0.00 0.00 179.97 178.99 1sou h LEU 25 N 0.25 0.85 -0.81 3.80 3.38 -0.60 -2.82 115.31 119.36 1sou h LEU 25 Ca 0.00 -0.31 0.04 0.00 0.09 0.00 0.00 57.88 57.71 1sou h LEU 25 Cb 0.98 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 41.45 1sou h LEU 25 CO 0.08 1.04 0.51 0.28 0.09 0.00 0.00 178.44 180.44 1sou h SER 26 N 0.73 0.84 -0.85 -0.43 0.02 -0.64 -1.74 113.55 111.49 1sou h SER 26 Ca 0.10 0.00 0.07 0.00 -0.84 0.00 0.00 61.79 61.12 1sou h SER 26 Cb 0.73 -0.18 -0.06 0.00 0.14 0.00 0.00 62.40 63.04 1sou h SER 26 CO 0.06 0.57 0.55 -0.08 -1.14 0.00 0.00 176.83 176.79 1sou h GLU 27 N 0.99 0.90 0.25 3.45 4.81 -1.19 0.15 114.58 123.94 1sou h GLU 27 Ca 0.33 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.49 1sou h GLU 27 Cb 0.04 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.22 1sou h GLU 27 CO -0.12 0.60 -0.12 0.87 -0.73 0.00 0.00 179.01 179.50 1sou h LYS 28 N 0.93 -0.33 -0.57 1.92 1.57 -1.24 0.13 116.57 118.99 1sou h LYS 28 Ca 0.37 0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 59.16 1sou h LYS 28 Cb 0.24 0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.59 1sou h LYS 28 CO -0.13 -0.18 0.32 0.28 -0.57 0.00 0.00 179.45 179.16 1sou h VAL 29 N -0.39 1.18 -0.40 0.50 2.07 -1.05 -0.96 116.25 117.20 1sou h VAL 29 Ca -0.03 -0.44 -0.00 0.00 0.82 0.00 0.00 66.70 67.04 1sou h VAL 29 Cb 0.30 0.45 -0.02 0.00 -1.52 0.00 0.00 31.29 30.49 1sou h VAL 29 CO 0.06 0.19 0.24 0.40 0.02 0.00 0.00 177.57 178.47 1sou h ILE 30 N 0.76 1.14 -0.25 4.57 2.04 -0.62 -1.55 117.51 123.60 1sou h ILE 30 Ca 0.20 -0.33 -0.06 0.00 1.00 0.00 0.00 64.86 65.67 1sou h ILE 30 Cb 0.03 0.63 -0.01 0.00 -0.74 0.00 0.00 36.82 36.72 1sou h ILE 30 CO -0.03 0.14 -0.10 0.28 0.00 0.00 0.00 178.15 178.44 1sou h SER 31 N 0.53 0.38 0.36 1.72 0.02 -0.40 0.14 113.55 116.29 1sou h SER 31 Ca 0.14 -0.08 -0.02 0.00 -0.84 0.00 0.00 61.79 60.99 1sou h SER 31 Cb 0.02 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.46 1sou h SER 31 CO -0.03 0.51 -0.17 -1.13 -1.14 0.00 0.00 176.83 174.88 1sou h ASN 32 N 0.37 -0.41 -0.08 3.07 -0.73 -0.79 -0.94 115.58 116.08 1sou h ASN 32 Ca 0.08 -0.14 -0.02 0.00 1.87 0.00 0.00 56.30 58.09 1sou h ASN 32 Cb 0.41 0.11 -0.01 0.00 0.27 0.00 0.00 38.32 39.09 1sou h ASN 32 CO 0.02 -0.05 0.02 0.25 -0.37 0.00 0.00 177.43 177.29 1sou h LEU 33 N -0.80 0.17 -0.81 0.34 6.46 -1.15 -1.11 115.31 118.40 1sou h LEU 33 Ca -0.05 -0.01 -0.11 0.00 -0.12 0.00 0.00 57.88 57.58 1sou h LEU 33 Cb 0.52 -0.04 -0.01 0.00 -0.73 0.00 0.00 40.66 40.40 1sou h LEU 33 CO 0.08 0.20 -0.31 0.50 -0.62 0.00 0.00 178.44 178.29 1sou h LYS 34 N 0.20 0.53 0.00 1.25 3.64 -0.59 -2.80 116.57 118.80 1sou h LYS 34 Ca 0.05 -0.23 0.00 0.00 -1.27 0.00 0.00 60.65 59.20 1sou h LYS 34 Cb 0.11 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.92 1sou h LYS 34 CO -0.00 0.78 -0.27 -1.13 -2.27 0.00 0.00 179.45 176.56 1sou n SER 35 N -4.08 0.74 -4.68 4.20 3.41 -0.37 -4.72 113.62 108.12 1sou n SER 35 Ca -0.01 0.37 -0.44 0.00 -0.26 0.00 0.00 58.87 58.53 1sou n SER 35 Cb 0.45 -0.37 -0.03 0.00 -0.26 0.00 0.00 64.21 64.00 1sou n SER 35 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 1sou n LEU 36 N -2.16 3.89 -0.22 1.04 0.00 -0.60 -4.89 117.00 114.06 1sou n LEU 36 Ca 0.05 0.97 -0.01 0.00 0.00 0.00 0.00 56.01 57.02 1sou n LEU 36 Cb 0.43 -1.50 0.10 0.00 0.00 0.00 0.00 43.42 42.45 1sou n LEU 36 CO 0.33 0.10 1.05 -0.65 0.00 0.00 0.00 177.39 178.22 1sou h PRO 37 N 8.98 0.55 0.00 1.96 0.11 -1.88 -0.90 132.00 140.83 1sou h PRO 37 Ca -0.48 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.60 1sou h PRO 37 Cb 1.24 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 32.22 1sou h PRO 37 CO 0.94 0.36 -0.02 0.93 -0.21 0.00 0.00 178.00 180.00 1sou h GLU 38 N 0.57 0.00 -0.21 1.05 3.07 -1.95 -2.11 114.58 115.00 1sou h GLU 38 Ca 0.30 0.00 -0.15 0.00 -0.50 0.00 0.00 59.36 59.01 1sou h GLU 38 Cb 0.27 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.17 1sou h GLU 38 CO -0.23 0.02 -0.51 0.35 -1.40 0.00 0.00 179.01 177.25 1sou h PHE 39 N 0.00 0.72 -0.00 4.33 3.57 -1.44 0.12 116.94 124.24 1sou h PHE 39 Ca -0.00 -0.24 0.00 0.00 3.53 0.00 0.00 57.97 61.26 1sou h PHE 39 Cb 0.07 -0.14 0.00 0.00 2.79 0.00 0.00 35.95 38.67 1sou h PHE 39 CO 0.00 0.97 -0.01 1.63 -2.23 0.00 0.00 178.31 178.67 1sou n LYS 40 N -3.98 1.09 -0.08 1.11 5.02 -0.81 -3.89 118.16 116.61 1sou n LYS 40 Ca -0.03 -0.20 -0.17 0.00 -2.02 0.00 0.00 58.31 55.89 1sou n LYS 40 Cb 0.58 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 34.04 1sou n LYS 40 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1sou n LYS 41 N -0.78 0.40 -1.40 1.97 4.81 -0.94 -5.05 118.16 117.16 1sou n LYS 41 Ca 0.22 0.17 -0.32 0.00 -0.87 0.00 0.00 58.31 57.52 1sou n LYS 41 Cb 0.17 -1.18 0.08 0.00 0.02 0.00 0.00 35.03 34.13 1sou n LYS 41 CO 0.00 0.00 0.00 -1.12 1.17 0.00 0.00 177.40 177.45 1sou s SER 42 N -6.54 4.70 -0.08 3.14 0.01 0.37 -5.00 113.70 110.30 1sou s SER 42 Ca -0.25 1.86 0.04 0.00 1.31 0.00 0.00 55.95 58.90 1sou s SER 42 Cb 0.09 -2.53 -0.07 0.00 0.21 0.00 0.00 66.02 63.72 1sou s SER 42 CO 0.33 -1.90 -0.02 0.29 0.41 0.00 0.00 173.24 172.35 1sou n LYS 43 N -3.22 1.80 -2.90 12.44 5.02 -1.26 -4.92 118.16 125.13 1sou n LYS 43 Ca 0.09 0.02 -0.43 0.00 -2.02 0.00 0.00 58.31 55.97 1sou n LYS 43 Cb 0.53 -1.17 -0.04 0.00 -0.02 0.00 0.00 35.03 34.33 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 -2.17 3.18 -0.34 1.97 3.01 -1.26 -0.56 119.74 123.57 1sou s LYS 44 Ca -0.07 -1.03 -0.03 0.00 -1.01 0.00 0.00 55.97 53.83 1sou s LYS 44 Cb 0.02 -4.34 0.07 0.00 -1.01 0.00 0.00 37.83 32.57 1sou s LYS 44 CO 0.25 -1.78 0.09 0.08 0.51 0.00 0.00 175.35 174.49 1sou s VAL 45 N 3.70 3.22 -0.11 3.17 1.01 -0.69 -1.06 120.40 129.65 1sou s VAL 45 Ca 0.23 -1.58 -0.11 0.00 0.00 0.00 0.00 61.98 60.52 1sou s VAL 45 Cb -0.16 -2.97 -0.05 0.00 0.00 0.00 0.00 36.38 33.20 1sou s VAL 45 CO 0.07 -0.32 0.23 0.00 0.00 0.00 0.00 175.10 175.08 1sou s ALA 46 N 1.24 3.75 0.14 5.51 0.00 0.43 -0.84 121.76 132.00 1sou s ALA 46 Ca 0.00 -0.51 0.09 0.00 0.00 0.00 0.00 51.96 51.54 1sou s ALA 46 Cb -0.21 -2.18 -0.04 0.00 0.00 0.00 0.00 23.12 20.69 1sou s ALA 46 CO -0.02 0.42 -0.20 -0.51 0.00 0.00 0.00 175.76 175.46 1sou s LEU 47 N -0.57 2.38 0.00 0.00 1.02 -0.77 -0.36 118.68 120.38 1sou s LEU 47 Ca 0.17 -0.79 0.00 0.00 0.02 0.00 0.00 54.13 53.53 1sou s LEU 47 Cb -0.13 -0.89 0.00 0.00 0.02 0.00 0.00 46.19 45.19 1sou s LEU 47 CO 0.05 0.02 0.00 0.00 0.02 0.00 0.00 176.35 176.45 1sou n TYR 48 N 0.64 0.00 0.00 0.29 4.19 -0.87 -4.23 117.16 117.18 1sou n TYR 48 Ca -0.16 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.05 1sou n TYR 48 Cb 0.55 0.00 0.00 0.00 0.49 0.00 0.00 39.34 40.38 1sou n TYR 48 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 1sou s PRO 50 N 0.00 3.20 -0.01 0.00 0.05 -1.26 -4.92 135.00 132.05 1sou s PRO 50 Ca 0.00 -0.63 0.07 0.00 0.05 0.00 0.00 61.00 60.49 1sou s PRO 50 Cb 0.00 -4.14 -0.02 0.00 0.05 0.00 0.00 34.50 30.39 1sou s PRO 50 CO 0.00 -1.59 -0.22 0.96 0.05 0.00 0.00 177.00 176.20 1sou s ILE 51 N 3.77 2.40 0.00 0.56 -5.25 -1.26 -4.78 121.20 116.63 1sou s ILE 51 Ca 0.24 -1.05 0.00 0.00 -0.99 0.00 0.00 60.65 58.85 1sou s ILE 51 Cb -0.16 -1.89 0.00 0.00 2.95 0.00 0.00 42.46 43.36 1sou s ILE 51 CO 0.14 0.54 0.00 1.17 -1.79 0.00 0.00 174.94 174.99 1sou n LYS 52 N 2.24 0.00 0.00 0.37 4.81 -1.26 -4.71 118.16 119.62 1sou n LYS 52 Ca -0.16 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.28 1sou n LYS 52 Cb 0.52 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.57 1sou n LYS 52 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1sou n GLY 53 N 0.00 5.26 0.21 3.14 0.00 -1.26 -5.00 105.19 107.54 1sou n GLY 53 Ca 0.00 -1.40 0.00 0.00 0.00 0.00 0.00 46.02 44.63 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 -0.56 -1.33 1.61 -0.58 -1.26 -4.76 120.64 113.77 1sou n GLU 54 Ca 0.00 0.43 -0.52 0.00 -0.42 0.00 0.00 57.16 56.65 1sou n GLU 54 Cb 0.00 -0.55 -0.07 0.00 -0.57 0.00 0.00 31.44 30.25 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 -1.70 0.00 -1.68 2.62 0.31 -1.26 -4.75 118.33 111.86 1sou n VAL 55 Ca -0.00 0.00 -0.31 0.00 -0.01 0.00 0.00 64.34 64.02 1sou n VAL 55 Cb 0.07 -0.13 -0.07 0.00 -0.91 0.00 0.00 33.84 32.80 1sou n VAL 55 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1sou n ASP 56 N 1.90 2.59 0.00 4.52 9.92 -1.26 -4.60 116.55 129.63 1sou n ASP 56 Ca 0.20 -2.66 0.13 0.00 -0.53 0.00 0.00 54.79 51.93 1sou n ASP 56 Cb 0.03 -1.51 0.37 0.00 -0.64 0.00 0.00 41.12 39.37 1sou n ASP 56 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 1sou n LEU 57 N 13.10 0.35 -0.09 0.64 4.77 -1.26 -4.28 117.00 130.23 1sou n LEU 57 Ca 0.46 0.18 -0.06 0.00 -0.03 0.00 0.00 56.01 56.55 1sou n LEU 57 Cb 0.45 -0.33 -0.00 0.00 -2.33 0.00 0.00 43.42 41.21 1sou n LEU 57 CO 0.79 0.07 0.81 0.74 -1.33 0.00 0.00 177.39 178.47 1sou h THR 58 N 0.00 0.70 0.00 -5.08 2.02 -1.93 -1.09 112.91 107.52 1sou h THR 58 Ca 0.00 -0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1sou h THR 58 Cb 0.52 0.68 0.00 0.00 -1.74 0.00 0.00 68.15 67.61 1sou h THR 58 CO 0.00 0.00 0.00 -0.81 0.37 0.00 0.00 175.52 175.08 1sou n PRO 59 N -5.25 0.06 0.03 6.66 -0.04 -1.26 -1.80 135.00 133.41 1sou n PRO 59 Ca 0.00 0.28 0.11 0.00 -0.04 0.00 0.00 63.50 63.86 1sou n PRO 59 Cb 0.18 -1.50 0.08 0.00 -0.04 0.00 0.00 33.50 32.22 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 -1.40 0.63 -0.01 1.53 7.94 -0.42 -4.28 117.00 120.99 1sou n LEU 60 Ca 0.03 0.03 -0.09 0.00 -1.11 0.00 0.00 56.01 54.87 1sou n LEU 60 Cb 0.09 -0.13 -0.03 0.00 0.53 0.00 0.00 43.42 43.88 1sou n LEU 60 CO 0.08 0.03 0.74 -0.26 -1.11 0.00 0.00 177.39 176.87 1sou h PHE 61 N 0.00 -0.47 -0.88 1.96 -1.00 -1.32 -2.03 116.94 113.20 1sou h PHE 61 Ca 0.00 0.03 0.14 0.00 2.81 0.00 0.00 57.97 60.94 1sou h PHE 61 Cb 0.70 0.23 -0.07 0.00 3.61 0.00 0.00 35.95 40.43 1sou h PHE 61 CO 0.00 -0.26 0.57 -1.35 -1.61 0.00 0.00 178.31 175.66 1sou h PRO 62 N -0.22 0.68 0.14 1.51 0.11 -1.78 0.94 132.00 133.38 1sou h PRO 62 Ca 0.10 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.17 1sou h PRO 62 Cb 0.37 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 31.33 1sou h PRO 62 CO -0.28 0.45 -0.07 1.49 -0.21 0.00 0.00 178.00 179.38 1sou h GLU 63 N 0.70 -0.19 -0.39 1.05 4.81 -1.66 -2.36 114.58 116.55 1sou h GLU 63 Ca 0.44 0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.65 1sou h GLU 63 Cb 0.68 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.09 1sou h GLU 63 CO -0.20 0.18 0.10 0.28 -0.73 0.00 0.00 179.01 178.65 1sou h VAL 64 N -0.60 1.17 0.00 0.32 2.07 -1.05 -0.79 116.25 117.38 1sou h VAL 64 Ca -0.02 -0.60 -0.04 0.00 0.82 0.00 0.00 66.70 66.86 1sou h VAL 64 Cb 0.46 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 30.99 1sou h VAL 64 CO 0.03 0.22 -0.19 0.25 0.02 0.00 0.00 177.57 177.90 1sou h LEU 65 N 0.55 0.00 0.01 2.57 5.85 -0.74 0.13 115.31 123.69 1sou h LEU 65 Ca 0.13 0.00 -0.22 0.00 0.84 0.00 0.00 57.88 58.63 1sou h LEU 65 Cb 0.20 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.20 1sou h LEU 65 CO -0.01 0.19 -1.19 0.11 -0.34 0.00 0.00 178.44 177.21 1sou h LYS 66 N 0.00 0.03 0.04 1.25 1.57 -0.74 -3.41 116.57 115.31 1sou h LYS 66 Ca -0.00 -0.05 -0.13 0.00 -1.87 0.00 0.00 60.65 58.59 1sou h LYS 66 Cb 0.46 0.02 0.01 0.00 0.08 0.00 0.00 32.23 32.80 1sou h LYS 66 CO 0.03 1.03 -0.53 0.93 -0.57 0.00 0.00 179.45 180.33 1sou h GLU 67 N -0.89 0.29 0.00 3.15 5.08 -1.18 -3.49 114.58 117.54 1sou h GLU 67 Ca -0.32 -0.37 -0.11 0.00 -1.00 0.00 0.00 59.36 57.57 1sou h GLU 67 Cb 1.35 0.12 -0.02 0.00 0.50 0.00 0.00 28.75 30.69 1sou h GLU 67 CO -0.16 1.09 -0.08 1.63 -1.00 0.00 0.00 179.01 180.49 1sou n LYS 68 N -4.29 1.50 -3.38 2.33 5.02 0.44 -5.08 118.16 114.70 1sou n LYS 68 Ca -0.11 -0.64 -0.45 0.00 -2.02 0.00 0.00 58.31 55.10 1sou n LYS 68 Cb 0.66 0.22 -0.06 0.00 -0.02 0.00 0.00 35.03 35.83 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 -2.31 2.87 -0.22 1.97 2.02 0.28 -4.47 118.70 118.85 1sou s GLU 69 Ca 0.01 -1.66 -0.29 0.00 0.02 0.00 0.00 54.97 53.05 1sou s GLU 69 Cb 0.00 -4.18 0.01 0.00 0.10 0.00 0.00 34.13 30.05 1sou s GLU 69 CO 0.01 -1.25 1.01 -1.17 0.02 0.00 0.00 175.26 173.89 1sou s LEU 70 N 1.55 4.11 -0.27 1.80 2.96 -0.74 -1.70 118.68 126.39 1sou s LEU 70 Ca 0.04 1.36 -0.10 0.00 -0.22 0.00 0.00 54.13 55.21 1sou s LEU 70 Cb -0.28 -3.50 -0.04 0.00 0.50 0.00 0.00 46.19 42.86 1sou s LEU 70 CO 0.03 -0.63 0.14 -0.63 -1.32 0.00 0.00 176.35 173.94 1sou s ILE 71 N 3.04 4.92 -0.01 6.68 1.01 -0.02 -0.39 121.20 136.44 1sou s ILE 71 Ca 0.43 0.02 0.05 0.00 0.00 0.00 0.00 60.65 61.15 1sou s ILE 71 Cb -0.15 -3.34 -0.03 0.00 0.01 0.00 0.00 42.46 38.95 1sou s ILE 71 CO 0.07 0.27 -0.14 -0.76 0.00 0.00 0.00 174.94 174.38 1sou s LEU 72 N 1.70 2.75 -0.24 2.97 1.43 -0.97 -1.84 118.68 124.48 1sou s LEU 72 Ca 0.07 -0.27 -0.18 0.00 -1.03 0.00 0.00 54.13 52.71 1sou s LEU 72 Cb -0.16 -1.59 -0.03 0.00 0.03 0.00 0.00 46.19 44.45 1sou s LEU 72 CO 0.08 0.30 0.51 -2.16 0.23 0.00 0.00 176.35 175.31 1sou s PRO 73 N -1.11 4.11 -0.14 1.29 0.04 -1.26 -0.42 135.00 137.52 1sou s PRO 73 Ca 0.14 0.35 -0.05 0.00 0.04 0.00 0.00 61.00 61.48 1sou s PRO 73 Cb -0.11 -3.62 -0.03 0.00 0.04 0.00 0.00 34.50 30.78 1sou s PRO 73 CO 0.03 -0.27 0.02 0.21 0.04 0.00 0.00 177.00 177.03 1sou s LYS 74 N 2.04 3.53 -0.66 4.56 2.20 0.43 -4.94 119.74 126.91 1sou s LYS 74 Ca 0.22 -0.40 -0.26 0.00 -0.36 0.00 0.00 55.97 55.17 1sou s LYS 74 Cb -0.15 -2.99 0.04 0.00 -1.51 0.00 0.00 37.83 33.21 1sou s LYS 74 CO 0.09 0.44 1.14 0.08 -0.36 0.00 0.00 175.35 176.75 1sou s VAL 75 N -0.15 4.02 -0.34 4.02 1.01 -1.26 -0.41 120.40 127.29 1sou s VAL 75 Ca 0.05 0.35 0.23 0.00 0.00 0.00 0.00 61.98 62.62 1sou s VAL 75 Cb -0.12 -4.77 0.11 0.00 0.00 0.00 0.00 36.38 31.60 1sou s VAL 75 CO 0.02 -1.54 1.25 -0.08 0.00 0.00 0.00 175.10 174.75 1sou h GLU 76 N 9.71 0.00 0.00 2.72 4.57 -1.85 -3.46 114.58 126.27 1sou h GLU 76 Ca -0.27 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.91 1sou h GLU 76 Cb 1.06 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.65 1sou h GLU 76 CO 1.21 0.00 0.00 0.41 -1.18 0.00 0.00 179.01 179.45 1sou n GLY 77 N 1.17 -1.35 5.00 1.92 0.00 -1.26 -4.94 105.19 105.73 1sou n GLY 77 Ca 0.02 0.64 0.00 0.00 0.00 0.00 0.00 46.02 46.68 1sou n GLY 77 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1sou n ASN 78 N 0.00 0.00 -4.86 1.61 5.15 -1.26 -4.87 115.26 111.02 1sou n ASN 78 Ca 0.00 0.00 -0.31 0.00 -0.60 0.00 0.00 54.58 53.67 1sou n ASN 78 Cb 0.00 0.00 -0.02 0.00 -0.53 0.00 0.00 39.78 39.23 1sou n ASN 78 CO 0.00 0.00 0.00 -0.70 1.40 0.00 0.00 177.26 177.96 1sou s GLU 79 N 0.00 3.79 -0.16 1.20 2.12 -1.26 -4.20 118.70 120.19 1sou s GLU 79 Ca 0.00 0.77 -0.06 0.00 0.36 0.00 0.00 54.97 56.04 1sou s GLU 79 Cb 0.00 -2.17 -0.04 0.00 0.26 0.00 0.00 34.13 32.18 1sou s GLU 79 CO 0.00 -0.32 0.04 0.42 -0.54 0.00 0.00 175.26 174.86 1sou s ILE 80 N -2.76 4.65 -0.27 -3.70 -1.09 -1.26 -2.51 121.20 114.26 1sou s ILE 80 Ca 0.56 -0.09 -0.05 0.00 -2.23 0.00 0.00 60.65 58.84 1sou s ILE 80 Cb -0.10 -3.06 0.01 0.00 -1.58 0.00 0.00 42.46 37.72 1sou s ILE 80 CO 0.39 0.50 0.02 -0.44 -1.23 0.00 0.00 174.94 174.17 1sou s SER 81 N 0.11 4.76 0.22 3.58 0.01 0.45 -4.93 113.70 117.89 1sou s SER 81 Ca 0.04 -0.72 -0.26 0.00 1.31 0.00 0.00 55.95 56.32 1sou s SER 81 Cb -0.12 -1.79 -0.09 0.00 0.21 0.00 0.00 66.02 64.23 1sou s SER 81 CO 0.01 -0.15 0.84 -0.76 0.41 0.00 0.00 173.24 173.59 1sou s LEU 82 N 1.44 4.55 -0.03 2.44 1.43 -1.24 -0.43 118.68 126.83 1sou s LEU 82 Ca 0.02 1.73 0.03 0.00 -1.03 0.00 0.00 54.13 54.89 1sou s LEU 82 Cb -0.17 -3.52 -0.03 0.00 0.03 0.00 0.00 46.19 42.50 1sou s LEU 82 CO -0.00 0.14 -0.11 -0.31 0.23 0.00 0.00 176.35 176.29 1sou s TYR 83 N -1.27 2.79 -0.89 0.29 2.02 0.44 -0.39 117.35 120.34 1sou s TYR 83 Ca 0.40 -0.09 -0.20 0.00 -0.37 0.00 0.00 57.07 56.81 1sou s TYR 83 Cb -0.23 -1.63 0.11 0.00 -0.40 0.00 0.00 41.96 39.82 1sou s TYR 83 CO 0.27 0.28 1.14 0.50 -1.57 0.00 0.00 175.55 176.16 1sou s ARG 84 N -1.00 3.51 -0.35 -0.62 3.52 0.47 -2.30 118.95 122.18 1sou s ARG 84 Ca 0.13 -1.53 -0.16 0.00 -0.13 0.00 0.00 55.73 54.04 1sou s ARG 84 Cb -0.11 -4.85 -0.01 0.00 -1.56 0.00 0.00 34.95 28.42 1sou s ARG 84 CO 0.03 -1.83 0.41 0.08 -0.81 0.00 0.00 175.30 173.18 1sou s VAL 85 N 3.19 5.12 0.00 7.11 1.01 0.48 -4.51 120.40 132.80 1sou s VAL 85 Ca 0.32 0.07 0.00 0.00 0.00 0.00 0.00 61.98 62.38 1sou s VAL 85 Cb -0.06 -3.89 0.00 0.00 0.00 0.00 0.00 36.38 32.43 1sou s VAL 85 CO -0.06 -0.17 0.71 1.57 0.00 0.00 0.00 175.10 177.15 1sou n HIS 86 N 5.51 0.00 -3.38 5.22 -0.00 -1.26 -1.80 115.22 119.51 1sou n HIS 86 Ca -0.08 0.00 -0.45 0.00 -0.00 0.00 0.00 57.72 57.20 1sou n HIS 86 Cb 0.49 -0.02 -0.07 0.00 -0.00 0.00 0.00 29.99 30.39 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 -0.43 6.15 0.45 0.26 0.15 -1.26 -4.96 113.70 114.07 1sou s SER 87 Ca 0.00 -1.36 0.15 0.00 0.70 0.00 0.00 55.95 55.44 1sou s SER 87 Cb 0.00 -2.19 1.05 0.00 -1.71 0.00 0.00 66.02 63.17 1sou s SER 87 CO 0.00 -0.66 2.00 -0.65 1.20 0.00 0.00 173.24 175.13 1sou h PRO 88 N 8.77 0.00 0.00 5.44 0.11 -1.96 -2.33 132.00 142.03 1sou h PRO 88 Ca -0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.82 1sou h PRO 88 Cb 1.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1sou h PRO 88 CO 0.89 0.17 -0.45 0.00 -0.21 0.00 0.00 178.00 178.41 1sou h ALA 89 N 1.83 0.72 -1.40 -0.75 0.00 -2.03 -3.39 119.26 114.24 1sou h ALA 89 Ca -0.00 0.00 -0.75 0.00 0.00 0.00 0.00 54.91 54.16 1sou h ALA 89 Cb 0.32 0.00 -0.17 0.00 0.00 0.00 0.00 17.79 17.94 1sou h ALA 89 CO 0.02 0.00 1.60 0.00 0.00 0.00 0.00 179.25 180.87 1sou s LEU 91 N 0.79 0.66 0.34 0.00 1.43 -1.26 -4.53 118.68 116.11 1sou s LEU 91 Ca 0.41 -0.25 -0.02 0.00 -1.03 0.00 0.00 54.13 53.25 1sou s LEU 91 Cb 0.02 -0.44 0.00 0.00 0.03 0.00 0.00 46.19 45.80 1sou s LEU 91 CO 0.00 -0.23 0.47 -0.83 0.23 0.00 0.00 176.35 175.99 1sou s GLY 92 N 1.97 1.55 -0.05 -3.19 0.00 -1.21 -4.97 107.32 101.42 1sou s GLY 92 Ca 0.04 -1.55 0.04 0.00 0.00 0.00 0.00 44.72 43.24 1sou s GLY 92 CO -0.06 -1.03 -0.16 -1.34 0.00 0.00 0.00 173.10 170.52 1sou s VAL 93 N -3.06 1.33 0.00 1.40 -7.23 -1.26 -0.23 120.40 111.35 1sou s VAL 93 Ca 0.31 -0.65 0.00 0.00 -1.81 0.00 0.00 61.98 59.83 1sou s VAL 93 Cb -0.00 -1.15 0.00 0.00 0.56 0.00 0.00 36.38 35.78 1sou s VAL 93 CO 0.21 0.39 0.00 0.61 -0.31 0.00 0.00 175.10 176.00 1sou n GLY 94 N 3.27 -0.27 3.35 2.32 0.00 -1.24 -4.88 105.19 107.74 1sou n GLY 94 Ca -0.19 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.59 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 -3.35 2.13 0.00 4.61 0.00 -1.26 -4.83 121.76 119.06 1sou s ALA 95 Ca 0.00 -1.49 0.00 0.00 0.00 0.00 0.00 51.96 50.47 1sou s ALA 95 Cb 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 23.12 22.88 1sou s ALA 95 CO 0.00 0.33 0.00 0.34 0.00 0.00 0.00 175.76 176.43 1sou n PHE 96 N 0.46 0.00 0.00 0.00 7.35 -1.26 -2.94 117.46 121.07 1sou n PHE 96 Ca -0.14 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.55 1sou n PHE 96 Cb 0.56 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.39 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 0.03 3.96 7.13 0.00 -1.26 -5.15 105.19 109.90 1sou n GLY 97 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.70 3.58 -0.25 -0.61 -4.36 -1.15 -5.02 121.20 112.68 1sou s ILE 98 Ca 0.00 -0.54 -0.18 0.00 -0.26 0.00 0.00 60.65 59.67 1sou s ILE 98 Cb 0.00 -3.33 -0.03 0.00 1.25 0.00 0.00 42.46 40.35 1sou s ILE 98 CO 0.00 -0.23 0.52 -0.04 0.24 0.00 0.00 174.94 175.42 1sou s MET 99 N -4.63 4.09 -0.16 0.37 -1.94 -1.26 -3.61 119.30 112.16 1sou s MET 99 Ca 0.51 0.34 0.01 0.00 -1.71 0.00 0.00 55.69 54.84 1sou s MET 99 Cb -0.10 -3.64 0.02 0.00 2.01 0.00 0.00 34.83 33.12 1sou s MET 99 CO 0.38 -0.31 -0.18 -1.21 -0.01 0.00 0.00 175.02 173.69 1sou s GLU 100 N 2.18 2.73 0.09 2.03 2.02 0.68 -4.89 118.70 123.55 1sou s GLU 100 Ca 0.22 -0.73 -0.31 0.00 0.02 0.00 0.00 54.97 54.17 1sou s GLU 100 Cb -0.16 -2.37 -0.09 0.00 0.10 0.00 0.00 34.13 31.61 1sou s GLU 100 CO 0.09 -0.19 1.73 -2.14 0.02 0.00 0.00 175.26 174.77 1sou s PRO 101 N 1.28 4.17 0.03 0.39 0.02 -1.26 -3.34 135.00 136.28 1sou s PRO 101 Ca 0.03 2.44 -0.26 0.00 0.02 0.00 0.00 61.00 63.23 1sou s PRO 101 Cb -0.13 -3.62 -0.17 0.00 0.02 0.00 0.00 34.50 30.60 1sou s PRO 101 CO -0.10 -0.78 1.38 0.28 -0.33 0.00 0.00 177.00 177.44 1sou h VAL 102 N 4.79 0.82 -4.02 3.83 2.07 -1.91 -3.44 116.25 118.40 1sou h VAL 102 Ca -0.44 -0.50 -0.54 0.00 0.82 0.00 0.00 66.70 66.04 1sou h VAL 102 Cb 1.21 1.11 -0.31 0.00 -1.52 0.00 0.00 31.29 31.78 1sou h VAL 102 CO 0.94 0.11 -0.83 -1.61 0.02 0.00 0.00 177.57 176.20 1sou s GLU 103 N -5.04 1.54 0.00 1.57 2.02 -1.26 -5.12 118.70 112.41 1sou s GLU 103 Ca -0.15 -0.57 0.00 0.00 0.02 0.00 0.00 54.97 54.28 1sou s GLU 103 Cb 0.03 -1.39 0.00 0.00 0.10 0.00 0.00 34.13 32.87 1sou s GLU 103 CO 0.60 0.27 0.00 0.41 0.02 0.00 0.00 175.26 176.55 1sou n GLY 104 N 3.00 -0.12 3.85 -1.39 0.00 -1.26 -4.97 105.19 104.30 1sou n GLY 104 Ca -0.17 -1.03 -0.37 0.00 0.00 0.00 0.00 46.02 44.45 1sou n GLY 104 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1sou s GLU 105 N -2.00 3.86 -0.00 1.61 1.03 -1.26 -4.95 118.70 116.98 1sou s GLU 105 Ca 0.00 0.33 -0.15 0.00 0.03 0.00 0.00 54.97 55.18 1sou s GLU 105 Cb 0.00 -3.15 -0.06 0.00 -0.80 0.00 0.00 34.13 30.12 1sou s GLU 105 CO 0.00 0.65 0.42 -0.98 -1.33 0.00 0.00 175.26 174.02 1sou s ARG 106 N -1.33 3.95 0.01 -4.83 1.70 -1.26 -0.40 118.95 116.78 1sou s ARG 106 Ca 0.26 0.42 0.04 0.00 -0.47 0.00 0.00 55.73 55.99 1sou s ARG 106 Cb -0.16 -3.23 -0.03 0.00 -0.57 0.00 0.00 34.95 30.96 1sou s ARG 106 CO 0.14 0.67 -0.11 0.08 -1.08 0.00 0.00 175.30 175.01 1sou s VAL 107 N -1.01 3.36 0.24 4.99 1.01 0.48 -4.88 120.40 124.59 1sou s VAL 107 Ca 0.24 -0.87 -0.05 0.00 0.00 0.00 0.00 61.98 61.29 1sou s VAL 107 Cb -0.17 -2.43 -0.06 0.00 0.00 0.00 0.00 36.38 33.72 1sou s VAL 107 CO 0.13 0.40 0.51 0.54 0.00 0.00 0.00 175.10 176.68 1sou s ASN 108 N -1.34 6.48 0.57 3.32 4.22 -1.26 -3.70 114.94 123.23 1sou s ASN 108 Ca 0.16 0.70 0.29 0.00 -2.14 0.00 0.00 52.86 51.87 1sou s ASN 108 Cb -0.11 -2.14 1.47 0.00 1.28 0.00 0.00 41.25 41.75 1sou s ASN 108 CO 0.06 -0.11 1.90 -0.65 -2.04 0.00 0.00 177.10 176.25 1sou h PRO 109 N 2.08 0.00 -0.82 3.55 0.11 -1.88 -0.68 132.00 134.36 1sou h PRO 109 Ca -0.47 0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.64 1sou h PRO 109 Cb 1.18 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.25 1sou h PRO 109 CO 0.68 0.00 0.53 1.49 -0.21 0.00 0.00 178.00 180.49 1sou h GLU 110 N 0.00 1.09 0.00 1.05 4.81 -1.93 -2.21 114.58 117.39 1sou h GLU 110 Ca 0.26 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.42 1sou h GLU 110 Cb 1.29 -0.24 0.00 0.00 0.63 0.00 0.00 28.75 30.43 1sou h GLU 110 CO -0.00 0.73 -0.15 -3.47 -0.73 0.00 0.00 179.01 175.38 1sou n ASP 111 N -4.40 0.58 -4.61 1.04 2.03 -0.27 -4.74 116.55 106.19 1sou n ASP 111 Ca 0.09 0.41 -0.43 0.00 0.52 0.00 0.00 54.79 55.39 1sou n ASP 111 Cb 0.03 -0.47 -0.03 0.00 -0.72 0.00 0.00 41.12 39.93 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 3.01 -0.13 5.18 1.01 -0.83 -4.84 120.40 120.72 1sou s VAL 112 Ca 0.11 0.01 -0.20 0.00 0.00 0.00 0.00 61.98 61.90 1sou s VAL 112 Cb 0.14 -3.02 -0.18 0.00 0.00 0.00 0.00 36.38 33.33 1sou s VAL 112 CO 0.61 -0.01 0.53 -0.78 0.00 0.00 0.00 175.10 175.46 1sou h ASP 113 N 14.73 -0.00 -3.90 3.32 3.58 -1.87 -3.32 116.42 128.95 1sou h ASP 113 Ca -0.42 -0.69 -0.46 0.00 0.42 0.00 0.00 57.03 55.88 1sou h ASP 113 Cb 1.24 0.00 -0.30 0.00 1.72 0.00 0.00 39.33 41.98 1sou h ASP 113 CO 0.96 0.85 -0.80 -0.36 -2.88 0.00 0.00 179.24 177.01 1sou s PHE 114 N -2.02 1.13 -0.01 0.28 0.40 -0.22 -2.47 117.98 115.08 1sou s PHE 114 Ca -0.13 -0.28 0.01 0.00 -0.60 0.00 0.00 56.93 55.93 1sou s PHE 114 Cb -0.02 -0.78 -0.00 0.00 0.51 0.00 0.00 43.02 42.73 1sou s PHE 114 CO 0.48 -0.10 -0.04 -1.50 0.70 0.00 0.00 175.22 174.76 1sou s ILE 115 N 0.06 0.35 -0.11 0.64 2.07 -1.04 -0.43 121.20 122.74 1sou s ILE 115 Ca -0.02 -0.18 -0.00 0.00 -1.41 0.00 0.00 60.65 59.05 1sou s ILE 115 Cb -0.08 -0.31 0.02 0.00 0.13 0.00 0.00 42.46 42.22 1sou s ILE 115 CO 0.01 0.11 -0.08 0.00 -1.91 0.00 0.00 174.94 173.06 1sou s ALA 116 N -0.01 1.35 -0.02 1.50 0.00 0.51 -0.39 121.76 124.70 1sou s ALA 116 Ca 0.01 -0.56 0.06 0.00 0.00 0.00 0.00 51.96 51.46 1sou s ALA 116 Cb -0.03 -0.92 -0.01 0.00 0.00 0.00 0.00 23.12 22.16 1sou s ALA 116 CO -0.00 -0.42 -0.19 0.14 0.00 0.00 0.00 175.76 175.29 1sou s VAL 117 N 1.70 1.49 0.49 0.00 -7.23 -0.20 -2.04 120.40 114.60 1sou s VAL 117 Ca 0.05 -0.80 -0.08 0.00 -1.81 0.00 0.00 61.98 59.34 1sou s VAL 117 Cb -0.13 -1.24 0.11 0.00 0.56 0.00 0.00 36.38 35.68 1sou s VAL 117 CO -0.08 0.42 0.66 -0.81 -0.31 0.00 0.00 175.10 174.98 1sou n PRO 118 N 2.66 -0.60 -0.60 4.82 -0.04 -1.26 -0.82 135.00 139.16 1sou n PRO 118 Ca -0.15 -1.06 0.00 0.00 -0.04 0.00 0.00 63.50 62.25 1sou n PRO 118 Cb 0.53 -0.67 0.00 0.00 -0.04 0.00 0.00 33.50 33.33 1sou n PRO 118 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1sou n GLY 119 N 0.65 1.79 0.91 0.55 0.00 -1.22 -4.55 105.19 103.32 1sou n GLY 119 Ca 0.08 -0.80 -0.03 0.00 0.00 0.00 0.00 46.02 45.28 1sou n GLY 119 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1sou n VAL 120 N 0.00 0.16 -3.89 1.61 0.31 0.16 -4.79 118.33 111.89 1sou n VAL 120 Ca 0.00 -0.04 -0.12 0.00 -0.01 0.00 0.00 64.34 64.17 1sou n VAL 120 Cb 0.00 -1.54 -0.14 0.00 -0.91 0.00 0.00 33.84 31.25 1sou n VAL 120 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1sou s ALA 121 N -2.05 0.03 0.24 3.52 0.00 -0.53 -4.71 121.76 118.25 1sou s ALA 121 Ca -0.04 -0.02 0.01 0.00 0.00 0.00 0.00 51.96 51.91 1sou s ALA 121 Cb 0.02 -0.01 -0.05 0.00 0.00 0.00 0.00 23.12 23.08 1sou s ALA 121 CO 0.05 0.01 0.08 -0.06 0.00 0.00 0.00 175.76 175.83 1sou s PHE 122 N -0.02 1.46 0.00 0.00 0.40 -1.02 -0.09 117.98 118.71 1sou s PHE 122 Ca 0.00 -1.15 0.00 0.00 -0.60 0.00 0.00 56.93 55.18 1sou s PHE 122 Cb -0.00 -0.84 -0.00 0.00 0.51 0.00 0.00 43.02 42.68 1sou s PHE 122 CO -0.00 -0.32 0.00 -0.40 0.70 0.00 0.00 175.22 175.20 1sou n ASP 123 N -0.41 0.47 0.18 1.36 5.68 -1.16 -0.43 116.55 122.25 1sou n ASP 123 Ca -0.01 -1.02 0.11 0.00 -0.50 0.00 0.00 54.79 53.37 1sou n ASP 123 Cb 0.66 0.01 0.11 0.00 -1.14 0.00 0.00 41.12 40.76 1sou n ASP 123 CO 0.00 0.00 0.00 -0.07 -1.33 0.00 0.00 177.20 175.80 1sou h LEU 124 N 0.00 0.00 0.00 -2.12 3.38 -0.72 -3.31 115.31 112.53 1sou h LEU 124 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1sou h LEU 124 Cb 0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.76 1sou h LEU 124 CO 0.00 0.07 -0.73 -0.62 0.09 0.00 0.00 178.44 177.25 1sou n GLU 125 N -3.03 0.13 0.00 1.13 1.02 -1.26 -4.94 120.64 113.69 1sou n GLU 125 Ca 0.03 0.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.18 1sou n GLU 125 Cb 0.56 -1.56 0.00 0.00 -0.02 0.00 0.00 31.44 30.43 1sou n GLU 125 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1sou n GLY 126 N 1.44 1.23 3.84 0.62 0.00 -1.25 -4.91 105.19 106.16 1sou n GLY 126 Ca 0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.72 1sou n GLY 126 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1sou s TYR 127 N -2.00 3.54 -0.04 1.61 1.51 -1.26 -2.32 117.35 118.38 1sou s TYR 127 Ca 0.00 1.14 0.02 0.00 -1.01 0.00 0.00 57.07 57.22 1sou s TYR 127 Cb 0.00 -2.45 0.01 0.00 -0.11 0.00 0.00 41.96 39.41 1sou s TYR 127 CO 0.00 0.31 -0.09 -0.98 -1.11 0.00 0.00 175.55 173.68 1sou s ARG 128 N -2.33 1.16 -0.56 -0.62 1.04 -1.26 -2.96 118.95 113.41 1sou s ARG 128 Ca 0.44 -0.29 -0.11 0.00 -1.04 0.00 0.00 55.73 54.73 1sou s ARG 128 Cb -0.14 -1.04 0.14 0.00 -2.04 0.00 0.00 34.95 31.87 1sou s ARG 128 CO 0.20 0.04 0.46 -0.51 -0.04 0.00 0.00 175.30 175.45 1sou s LEU 129 N 0.50 5.96 0.00 -1.89 1.02 0.87 -5.00 118.68 120.14 1sou s LEU 129 Ca -0.09 -2.09 0.00 0.00 0.02 0.00 0.00 54.13 51.98 1sou s LEU 129 Cb -0.12 -2.08 0.00 0.00 0.02 0.00 0.00 46.19 44.01 1sou s LEU 129 CO 0.01 -0.69 0.03 0.61 0.02 0.00 0.00 176.35 176.33 1sou n GLY 130 N 4.72 2.16 3.42 -3.19 0.00 -1.26 0.36 105.19 111.40 1sou n GLY 130 Ca -0.05 -2.14 -0.35 0.00 0.00 0.00 0.00 46.02 43.48 1sou n GLY 130 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1sou s PHE 131 N 0.66 3.01 0.00 1.61 5.36 -1.26 -4.63 117.98 122.73 1sou s PHE 131 Ca 0.02 -0.55 0.00 0.00 -0.96 0.00 0.00 56.93 55.44 1sou s PHE 131 Cb -0.00 -2.07 0.00 0.00 -0.34 0.00 0.00 43.02 40.61 1sou s PHE 131 CO 0.01 -0.29 0.00 0.41 -1.46 0.00 0.00 175.22 173.90 1sou n GLY 132 N 4.28 0.41 3.04 13.12 0.00 -1.26 -5.03 105.19 119.75 1sou n GLY 132 Ca -0.17 -0.99 -0.03 0.00 0.00 0.00 0.00 46.02 44.82 1sou n GLY 132 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1sou s LYS 133 N -2.00 0.61 0.00 1.61 2.20 -1.26 -5.14 119.74 115.76 1sou s LYS 133 Ca 0.00 -0.00 0.00 0.00 -0.36 0.00 0.00 55.97 55.61 1sou s LYS 133 Cb 0.00 -0.09 0.00 0.00 -1.51 0.00 0.00 37.83 36.23 1sou s LYS 133 CO 0.00 -1.11 0.00 0.41 -0.36 0.00 0.00 175.35 174.29 1sou n GLY 134 N 4.95 0.38 3.40 5.54 0.00 -1.26 -5.00 105.19 113.20 1sou n GLY 134 Ca 0.06 -1.44 -0.45 0.00 0.00 0.00 0.00 46.02 44.19 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 -1.80 3.53 -0.65 1.61 2.02 -1.26 -4.82 117.35 115.98 1sou s TYR 135 Ca 0.00 -1.84 0.04 0.00 -0.37 0.00 0.00 57.07 54.90 1sou s TYR 135 Cb 0.00 -4.07 0.29 0.00 -0.40 0.00 0.00 41.96 37.77 1sou s TYR 135 CO 0.00 -1.24 1.00 0.66 -1.57 0.00 0.00 175.55 174.40 1sou n TYR 136 N 5.09 0.80 -0.27 2.71 4.01 -1.26 -4.34 117.16 123.90 1sou n TYR 136 Ca 0.22 -0.36 0.00 0.00 -0.16 0.00 0.00 57.90 57.60 1sou n TYR 136 Cb 0.46 -0.29 0.13 0.00 -0.31 0.00 0.00 39.34 39.34 1sou n TYR 136 CO 0.00 0.00 0.00 0.22 -0.46 0.00 0.00 176.86 176.62 1sou h ASP 137 N 1.28 0.67 0.47 7.72 1.82 -1.95 -0.65 116.42 125.77 1sou h ASP 137 Ca 0.03 0.03 0.00 0.00 -0.39 0.00 0.00 57.03 56.70 1sou h ASP 137 Cb 1.12 -0.10 0.00 0.00 0.68 0.00 0.00 39.33 41.03 1sou h ASP 137 CO 0.21 0.41 0.00 0.54 -1.61 0.00 0.00 179.24 178.79 1sou n ARG 138 N -4.73 0.06 0.00 0.28 3.00 -1.26 -2.33 116.66 111.68 1sou n ARG 138 Ca 0.11 0.36 0.00 0.00 -0.01 0.00 0.00 57.85 58.31 1sou n ARG 138 Cb 0.21 -1.63 0.00 0.00 0.00 0.00 0.00 32.46 31.03 1sou n ARG 138 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.63 177.52 1sou n LEU 139 N -1.75 0.32 0.22 0.55 7.94 -0.29 -4.23 117.00 119.75 1sou n LEU 139 Ca 0.02 0.12 0.05 0.00 -1.11 0.00 0.00 56.01 55.09 1sou n LEU 139 Cb 0.16 -0.34 0.48 0.00 0.53 0.00 0.00 43.42 44.25 1sou n LEU 139 CO 0.13 -0.34 0.85 -0.07 -1.11 0.00 0.00 177.39 176.85 1sou h LEU 140 N 0.00 0.00 0.00 -1.96 3.38 -1.55 -1.73 115.31 113.45 1sou h LEU 140 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1sou h LEU 140 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1sou h LEU 140 CO 0.00 0.24 -0.26 1.17 0.09 0.00 0.00 178.44 179.69 1sou n LYS 141 N -4.12 0.26 -0.00 1.13 4.81 -0.99 -3.40 118.16 115.84 1sou n LYS 141 Ca -0.02 0.16 0.09 0.00 -0.87 0.00 0.00 58.31 57.67 1sou n LYS 141 Cb 0.31 -1.75 -0.13 0.00 0.02 0.00 0.00 35.03 33.48 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 -2.17 0.65 -2.24 1.64 1.74 -0.73 -4.89 116.66 110.66 1sou n ARG 142 Ca 0.05 -0.10 -0.42 0.00 -0.77 0.00 0.00 57.85 56.60 1sou n ARG 142 Cb 0.43 -1.44 -0.03 0.00 -1.02 0.00 0.00 32.46 30.41 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 -3.11 3.83 -0.80 1.55 1.01 -0.73 -3.85 120.40 118.29 1sou s VAL 143 Ca -0.01 1.15 0.07 0.00 0.00 0.00 0.00 61.98 63.19 1sou s VAL 143 Cb 0.13 -3.74 0.07 0.00 0.00 0.00 0.00 36.38 32.84 1sou s VAL 143 CO 0.80 -0.04 0.76 0.29 0.00 0.00 0.00 175.10 176.91 1sou n LYS 144 N 5.86 0.25 0.00 2.72 4.76 -1.26 -4.99 118.16 125.50 1sou n LYS 144 Ca 0.14 -1.00 0.00 0.00 -2.87 0.00 0.00 58.31 54.58 1sou n LYS 144 Cb 0.44 -1.13 0.00 0.00 -1.84 0.00 0.00 35.03 32.50 1sou n LYS 144 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1sou n GLY 145 N 0.35 -0.10 3.64 0.72 0.00 -1.25 -4.99 105.19 103.56 1sou n GLY 145 Ca 0.04 -1.56 -0.41 0.00 0.00 0.00 0.00 46.02 44.09 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 4.09 -0.53 0.99 2.01 -1.03 -4.98 118.68 119.23 1sou s LEU 146 Ca 0.00 0.93 -0.24 0.00 0.01 0.00 0.00 54.13 54.84 1sou s LEU 146 Cb 0.00 -3.06 0.04 0.00 0.01 0.00 0.00 46.19 43.18 1sou s LEU 146 CO 0.00 -0.43 0.90 -0.54 1.01 0.00 0.00 176.35 177.29 1sou s LYS 147 N 2.56 3.34 -0.35 1.70 -0.14 -1.26 -2.50 119.74 123.09 1sou s LYS 147 Ca 0.32 -0.26 -0.16 0.00 -1.36 0.00 0.00 55.97 54.51 1sou s LYS 147 Cb -0.16 -4.03 -0.01 0.00 -1.68 0.00 0.00 37.83 31.95 1sou s LYS 147 CO 0.08 -1.41 0.40 0.08 -0.76 0.00 0.00 175.35 173.75 1sou s VAL 148 N 3.77 5.13 -0.23 3.17 1.01 0.47 -0.82 120.40 132.90 1sou s VAL 148 Ca 0.30 0.06 -0.12 0.00 0.00 0.00 0.00 61.98 62.22 1sou s VAL 148 Cb -0.13 -3.87 -0.05 0.00 0.00 0.00 0.00 36.38 32.33 1sou s VAL 148 CO 0.20 -0.15 0.22 -0.83 0.00 0.00 0.00 175.10 174.53 1sou s GLY 149 N 1.75 2.02 -0.24 4.51 0.00 0.45 -1.03 107.32 114.77 1sou s GLY 149 Ca 0.13 -0.78 -0.09 0.00 0.00 0.00 0.00 44.72 43.98 1sou s GLY 149 CO 0.12 0.49 0.12 0.14 0.00 0.00 0.00 173.10 173.97 1sou s VAL 150 N 1.09 4.94 0.07 1.40 1.01 -0.00 -0.42 120.40 128.49 1sou s VAL 150 Ca 0.11 0.03 -0.26 0.00 0.00 0.00 0.00 61.98 61.86 1sou s VAL 150 Cb -0.14 -3.30 0.07 0.00 0.00 0.00 0.00 36.38 33.01 1sou s VAL 150 CO 0.05 0.34 0.62 0.00 0.00 0.00 0.00 175.10 176.11 1sou s ALA 151 N 1.24 -1.63 0.07 5.51 0.00 -1.03 -3.40 121.76 122.53 1sou s ALA 151 Ca 0.06 0.79 -0.15 0.00 0.00 0.00 0.00 51.96 52.66 1sou s ALA 151 Cb -0.14 0.52 -0.06 0.00 0.00 0.00 0.00 23.12 23.44 1sou s ALA 151 CO 0.05 -0.60 0.50 0.71 0.00 0.00 0.00 175.76 176.42 1sou s TYR 152 N -2.72 3.70 0.58 0.00 2.02 -1.26 -4.14 117.35 115.54 1sou s TYR 152 Ca -0.04 1.08 0.28 0.00 -0.37 0.00 0.00 57.07 58.02 1sou s TYR 152 Cb -0.01 -2.36 1.65 0.00 -0.40 0.00 0.00 41.96 40.84 1sou s TYR 152 CO -0.04 0.55 2.12 0.77 -1.57 0.00 0.00 175.55 177.38 1sou h SER 153 N 4.21 0.00 -0.89 2.29 0.02 -1.93 -1.03 113.55 116.23 1sou h SER 153 Ca -0.50 0.00 0.02 0.00 -0.84 0.00 0.00 61.79 60.48 1sou h SER 153 Cb 1.21 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.70 1sou h SER 153 CO 0.64 0.00 0.59 -0.26 -1.14 0.00 0.00 176.83 176.65 1sou h PHE 154 N 0.00 1.09 -0.44 3.45 0.04 -2.02 -2.67 116.94 116.40 1sou h PHE 154 Ca 0.08 0.03 -0.12 0.00 2.80 0.00 0.00 57.97 60.75 1sou h PHE 154 Cb 0.42 -0.37 -0.07 0.00 2.20 0.00 0.00 35.95 38.13 1sou h PHE 154 CO 0.00 0.66 0.07 1.04 -0.60 0.00 0.00 178.31 179.48 1sou n GLN 155 N -4.43 2.84 -3.94 1.51 1.13 -0.40 -4.83 117.38 109.27 1sou n GLN 155 Ca 0.11 -3.01 -0.34 0.00 -1.94 0.00 0.00 57.00 51.82 1sou n GLN 155 Cb 0.07 -1.95 -0.14 0.00 0.11 0.00 0.00 30.24 28.33 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 -3.00 2.71 0.63 5.09 1.01 -1.01 -2.43 120.40 123.40 1sou s VAL 156 Ca 0.47 -1.78 0.00 0.00 0.00 0.00 0.00 61.98 60.67 1sou s VAL 156 Cb 0.39 -2.72 0.12 0.00 0.00 0.00 0.00 36.38 34.18 1sou s VAL 156 CO 0.08 -0.31 0.86 0.49 0.00 0.00 0.00 175.10 176.22 1sou n PHE 157 N 4.49 -2.98 0.37 5.22 3.72 0.43 -4.90 117.46 123.81 1sou n PHE 157 Ca -0.08 -1.54 -0.15 0.00 -0.05 0.00 0.00 57.45 55.64 1sou n PHE 157 Cb 0.42 -0.63 -0.07 0.00 -0.94 0.00 0.00 39.48 38.27 1sou n PHE 157 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1sou h GLU 158 N 0.00 -0.92 -2.57 -1.08 3.07 -1.94 -3.18 114.58 107.96 1sou h GLU 158 Ca -0.28 0.06 -0.10 0.00 -0.50 0.00 0.00 59.36 58.54 1sou h GLU 158 Cb 1.06 0.21 -0.24 0.00 -0.84 0.00 0.00 28.75 28.94 1sou h GLU 158 CO 0.31 -0.61 -0.20 -0.98 -1.40 0.00 0.00 179.01 176.13 1sou s ARG 159 N -4.86 0.51 0.18 2.33 1.70 -1.26 -0.42 118.95 117.13 1sou s ARG 159 Ca -0.14 0.75 0.01 0.00 -0.47 0.00 0.00 55.73 55.88 1sou s ARG 159 Cb 0.01 0.15 -0.04 0.00 -0.57 0.00 0.00 34.95 34.51 1sou s ARG 159 CO 0.42 -0.11 0.34 -0.51 -1.08 0.00 0.00 175.30 174.36 1sou s LEU 160 N 0.77 4.28 -0.05 -1.89 1.43 -1.26 -5.03 118.68 116.94 1sou s LEU 160 Ca -0.04 0.26 -0.29 0.00 -1.03 0.00 0.00 54.13 53.03 1sou s LEU 160 Cb -0.05 -3.02 -0.07 0.00 0.03 0.00 0.00 46.19 43.07 1sou s LEU 160 CO -0.06 -0.00 1.94 -2.84 0.23 0.00 0.00 176.35 175.62 1sou s PRO 161 N -3.35 3.93 0.45 1.29 0.02 -1.26 -4.97 135.00 131.11 1sou s PRO 161 Ca 0.36 2.37 0.02 0.00 0.02 0.00 0.00 61.00 63.77 1sou s PRO 161 Cb -0.11 -4.17 -0.01 0.00 0.02 0.00 0.00 34.50 30.23 1sou s PRO 161 CO 0.29 -1.19 0.09 2.89 -0.33 0.00 0.00 177.00 178.75 1sou n ARG 162 N 7.73 0.65 0.00 5.54 1.85 -1.26 -4.94 116.66 126.23 1sou n ARG 162 Ca 0.21 -3.59 0.00 0.00 -1.00 0.00 0.00 57.85 53.47 1sou n ARG 162 Cb 0.42 1.53 0.00 0.00 -1.05 0.00 0.00 32.46 33.36 1sou n ARG 162 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 1sou n ASP 163 N -1.43 0.00 -3.33 2.89 8.00 -1.26 -5.07 116.55 116.35 1sou n ASP 163 Ca -0.12 0.00 -0.12 0.00 0.71 0.00 0.00 54.79 55.26 1sou n ASP 163 Cb 0.63 0.00 -0.07 0.00 -0.02 0.00 0.00 41.12 41.66 1sou n ASP 163 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1sou s ALA 164 N -3.45 -0.92 -0.48 2.24 0.00 -1.26 -5.01 121.76 112.88 1sou s ALA 164 Ca 0.00 -0.16 -0.21 0.00 0.00 0.00 0.00 51.96 51.58 1sou s ALA 164 Cb 0.00 -2.04 0.03 0.00 0.00 0.00 0.00 23.12 21.11 1sou s ALA 164 CO 0.00 -1.85 0.63 0.91 0.00 0.00 0.00 175.76 175.45 1sou n TRP 165 N 5.07 -3.16 -1.33 0.00 8.01 -1.26 -5.03 117.44 119.74 1sou n TRP 165 Ca 0.03 1.28 0.00 0.00 -1.31 0.00 0.00 57.50 57.50 1sou n TRP 165 Cb 0.48 -3.34 0.00 0.00 -2.01 0.00 0.00 31.31 26.45 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 -0.47 0.00 -4.44 -0.99 -0.08 -1.26 -5.02 116.55 104.29 1sou n ASP 166 Ca 0.03 -0.95 -0.44 0.00 -1.51 0.00 0.00 54.79 51.93 1sou n ASP 166 Cb 0.54 0.00 -0.05 0.00 2.34 0.00 0.00 41.12 43.95 1sou n ASP 166 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 1sou s ILE 167 N -0.56 4.66 0.70 5.18 -1.09 -1.26 -5.05 121.20 123.77 1sou s ILE 167 Ca 0.00 -0.48 -0.09 0.00 -2.23 0.00 0.00 60.65 57.85 1sou s ILE 167 Cb 0.00 -4.48 0.04 0.00 -1.58 0.00 0.00 42.46 36.44 1sou s ILE 167 CO 0.00 -1.09 1.04 -2.16 -1.23 0.00 0.00 174.94 171.50 1sou s PRO 168 N 3.18 2.52 0.55 2.79 0.05 -1.26 -4.80 135.00 138.03 1sou s PRO 168 Ca 0.18 0.08 -0.02 0.00 0.05 0.00 0.00 61.00 61.29 1sou s PRO 168 Cb -0.19 -2.11 0.02 0.00 0.05 0.00 0.00 34.50 32.27 1sou s PRO 168 CO 0.11 -1.11 0.81 0.14 0.05 0.00 0.00 177.00 176.99 1sou s VAL 169 N -3.28 3.30 -0.24 -0.36 -7.23 -0.98 -4.95 120.40 106.66 1sou s VAL 169 Ca 0.58 -0.38 0.05 0.00 -1.81 0.00 0.00 61.98 60.42 1sou s VAL 169 Cb -0.11 -3.27 -0.18 0.00 0.56 0.00 0.00 36.38 33.38 1sou s VAL 169 CO 0.48 -0.23 -0.17 0.47 -0.31 0.00 0.00 175.10 175.34 1sou n ASP 170 N -2.40 1.66 -3.84 4.85 8.00 -0.01 -4.73 116.55 120.08 1sou n ASP 170 Ca 0.05 -0.11 -0.28 0.00 0.71 0.00 0.00 54.79 55.16 1sou n ASP 170 Cb 0.59 -0.13 -0.16 0.00 -0.02 0.00 0.00 41.12 41.40 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 -2.50 0.97 -0.40 2.53 1.01 0.00 0.33 120.40 122.34 1sou s VAL 171 Ca -0.29 -0.68 -0.15 0.00 0.00 0.00 0.00 61.98 60.86 1sou s VAL 171 Cb 0.08 -1.27 0.02 0.00 0.00 0.00 0.00 36.38 35.21 1sou s VAL 171 CO 0.63 -0.01 0.30 -0.22 0.00 0.00 0.00 175.10 175.80 1sou s LEU 172 N 1.67 5.01 -0.26 3.92 2.96 0.70 -0.41 118.68 132.28 1sou s LEU 172 Ca -0.01 -0.82 -0.15 0.00 -0.22 0.00 0.00 54.13 52.93 1sou s LEU 172 Cb -0.16 -2.18 -0.04 0.00 0.50 0.00 0.00 46.19 44.31 1sou s LEU 172 CO -0.07 -0.43 0.38 -0.69 -1.32 0.00 0.00 176.35 174.21 1sou s VAL 173 N 1.73 5.18 0.56 1.68 1.01 0.45 -0.99 120.40 130.00 1sou s VAL 173 Ca 0.06 0.60 0.05 0.00 0.00 0.00 0.00 61.98 62.69 1sou s VAL 173 Cb -0.19 -3.71 0.05 0.00 0.00 0.00 0.00 36.38 32.54 1sou s VAL 173 CO 0.10 0.17 0.44 0.42 0.00 0.00 0.00 175.10 176.23 1sou s THR 174 N 1.94 1.57 -2.01 3.92 -4.23 -0.93 -2.45 115.64 113.45 1sou s THR 174 Ca 0.16 -1.47 0.10 0.00 -1.18 0.00 0.00 61.69 59.30 1sou s THR 174 Cb -0.16 -2.04 0.27 0.00 1.34 0.00 0.00 72.50 71.91 1sou s THR 174 CO 0.09 0.00 1.23 -1.84 -0.54 0.00 0.00 174.62 173.57 1sou n GLU 175 N -1.83 1.67 0.00 3.99 -0.00 -1.26 -4.18 120.64 119.03 1sou n GLU 175 Ca -0.01 -1.04 0.00 0.00 -0.00 0.00 0.00 57.16 56.11 1sou n GLU 175 Cb 0.64 -1.23 0.00 0.00 -0.00 0.00 0.00 31.44 30.85 1sou n GLU 175 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1sou n LYS 176 N 0.34 0.00 -4.42 3.44 5.02 -1.26 -4.79 118.16 116.49 1sou n LYS 176 Ca 0.10 0.00 -0.20 0.00 -2.02 0.00 0.00 58.31 56.19 1sou n LYS 176 Cb 0.25 -0.45 -0.10 0.00 -0.02 0.00 0.00 35.03 34.70 1sou n LYS 176 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 1sou s ASN 177 N -4.07 2.32 -0.24 4.39 3.84 -1.26 -5.13 114.94 114.80 1sou s ASN 177 Ca 0.00 -1.30 0.02 0.00 0.21 0.00 0.00 52.86 51.79 1sou s ASN 177 Cb 0.00 -0.08 0.04 0.00 -0.55 0.00 0.00 41.25 40.67 1sou s ASN 177 CO 0.00 -0.53 -0.13 -0.69 -2.79 0.00 0.00 177.10 172.96 1sou s VAL 178 N -3.27 2.24 -0.63 -5.21 1.01 -1.26 -2.19 120.40 111.09 1sou s VAL 178 Ca 0.33 -1.37 -0.19 0.00 0.00 0.00 0.00 61.98 60.75 1sou s VAL 178 Cb 0.07 -2.19 0.11 0.00 0.00 0.00 0.00 36.38 34.36 1sou s VAL 178 CO 0.13 0.15 0.76 -0.13 0.00 0.00 0.00 175.10 176.01 1sou s ARG 179 N 1.18 3.10 -0.48 2.72 0.52 -0.17 -4.96 118.95 120.87 1sou s ARG 179 Ca -0.04 -1.35 -0.23 0.00 -0.52 0.00 0.00 55.73 53.60 1sou s ARG 179 Cb -0.18 -4.31 0.03 0.00 0.52 0.00 0.00 34.95 31.02 1sou s ARG 179 CO -0.07 -1.57 0.80 -0.98 0.02 0.00 0.00 175.30 173.50 1sou s ARG 180 N 2.72 3.35 -0.10 3.54 1.70 -1.26 -0.21 118.95 128.69 1sou s ARG 180 Ca 0.14 -0.24 0.18 0.00 -0.47 0.00 0.00 55.73 55.34 1sou s ARG 180 Cb -0.22 -3.99 0.67 0.00 -0.57 0.00 0.00 34.95 30.85 1sou s ARG 180 CO 0.05 -1.22 1.58 1.28 -1.08 0.00 0.00 175.30 175.91 1sou n LEU 181 N 6.83 4.51 -0.19 -1.89 4.77 0.15 -4.41 117.00 126.78 1sou n LEU 181 Ca 0.01 -2.42 -0.01 0.00 -0.03 0.00 0.00 56.01 53.56 1sou n LEU 181 Cb 0.48 -0.54 0.21 0.00 -2.33 0.00 0.00 43.42 41.24 1sou n LEU 181 CO 0.59 0.81 1.13 0.03 -1.33 0.00 0.00 177.39 178.63 1sou h ARG 182 N 3.77 0.95 0.00 3.23 2.47 -1.88 -3.34 114.38 119.58 1sou h ARG 182 Ca 0.00 -0.11 -0.26 0.00 -1.26 0.00 0.00 59.98 58.35 1sou h ARG 182 Cb 1.36 -0.19 -0.04 0.00 -1.65 0.00 0.00 29.97 29.46 1sou h ARG 182 CO 0.20 0.71 -1.81 -0.40 0.56 0.00 0.00 179.97 179.23 1sou n ASP 183 N -4.36 1.69 -0.31 7.04 5.75 -1.26 -5.01 116.55 120.09 1sou n ASP 183 Ca 0.07 0.29 -0.04 0.00 -0.01 0.00 0.00 54.79 55.09 1sou n ASP 183 Cb 0.11 -0.68 -0.02 0.00 -1.03 0.00 0.00 41.12 39.51 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 1.63 0.68 0.29 6.12 0.00 -1.25 -4.87 105.19 107.79 1sou n GLY 184 Ca -0.34 -0.53 0.03 0.00 0.00 0.00 0.00 46.02 45.17 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 -2.52 0.69 0.00 1.61 1.74 -1.26 -4.51 116.66 112.42 1sou n ARG 185 Ca -0.04 -1.13 0.15 0.00 -0.77 0.00 0.00 57.85 56.06 1sou n ARG 185 Cb 0.18 -1.13 0.79 0.00 -1.02 0.00 0.00 32.46 31.28 1sou n ARG 185 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1sou n SER 186 N 0.29 0.00 -4.41 0.55 7.64 -1.26 -4.77 113.62 111.66 1sou n SER 186 Ca 0.05 -0.29 -0.29 0.00 1.01 0.00 0.00 58.87 59.34 1sou n SER 186 Cb 0.21 -0.24 -0.13 0.00 -1.01 0.00 0.00 64.21 63.05 1sou n SER 186 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 1sou s LEU 187 N -2.47 2.41 0.40 -3.43 2.96 -1.26 -5.12 118.68 112.17 1sou s LEU 187 Ca 0.32 -0.71 -0.24 0.00 -0.22 0.00 0.00 54.13 53.28 1sou s LEU 187 Cb 0.20 -1.29 -0.09 0.00 0.50 0.00 0.00 46.19 45.51 1sou s LEU 187 CO 0.44 0.18 1.06 -1.83 -1.32 0.00 0.00 176.35 174.89 1sou s GLU 188 N -2.07 4.13 0.39 1.98 -1.05 -1.26 -4.99 118.70 115.82 1sou s GLU 188 Ca 0.15 1.55 -0.27 0.00 -0.15 0.00 0.00 54.97 56.24 1sou s GLU 188 Cb -0.10 -2.54 -0.10 0.00 -0.44 0.00 0.00 34.13 30.95 1sou s GLU 188 CO 0.07 -0.18 1.47 -1.01 0.95 0.00 0.00 175.26 176.56 1sou s HIS 189 N -1.64 2.56 -1.20 4.83 3.76 -1.26 -4.83 115.29 117.52 1sou s HIS 189 Ca 0.58 1.19 -0.18 0.00 -0.15 0.00 0.00 55.06 56.50 1sou s HIS 189 Cb -0.23 -4.00 -0.03 0.00 1.11 0.00 0.00 32.58 29.44 1sou s HIS 189 CO 0.29 -2.97 2.03 1.58 -0.85 0.00 0.00 174.74 174.82 1sou n HIS 190 N 0.32 3.13 -3.69 1.40 -0.00 -1.26 -4.76 115.22 110.36 1sou n HIS 190 Ca 0.02 -2.45 -0.11 0.00 0.46 0.00 0.00 57.72 55.64 1sou n HIS 190 Cb 0.40 -2.32 -0.10 0.00 -0.12 0.00 0.00 29.99 27.85 1sou n HIS 190 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 1sou s HIS 191 N 4.68 -0.64 -0.10 1.57 5.65 -1.26 -5.16 115.29 120.03 1sou s HIS 191 Ca 0.53 1.40 0.03 0.00 0.25 0.00 0.00 55.06 57.27 1sou s HIS 191 Cb 0.11 0.29 0.01 0.00 -1.18 0.00 0.00 32.58 31.81 1sou s HIS 191 CO 0.02 -0.34 -0.19 -1.58 -0.65 0.00 0.00 174.74 172.00 1sou s HIS 192 N 1.06 2.19 -1.57 3.88 2.46 -1.26 -5.04 115.29 117.01 1sou s HIS 192 Ca -0.06 -0.95 -0.11 0.00 0.47 0.00 0.00 55.06 54.41 1sou s HIS 192 Cb -0.06 -1.51 -0.04 0.00 -0.13 0.00 0.00 32.58 30.83 1sou s HIS 192 CO -0.09 -0.43 2.70 -2.39 -2.47 0.00 0.00 174.74 172.06 1sou n HIS 193 N 3.82 2.80 -1.21 3.88 1.44 -1.26 -5.30 115.22 119.40 1sou n HIS 193 Ca -0.20 -3.05 0.00 0.00 -2.01 0.00 0.00 57.72 52.46 1sou n HIS 193 Cb 0.52 -2.51 0.00 0.00 0.12 0.00 0.00 29.99 28.12 1sou n HIS 193 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11