#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sou s LEU 2 N 0.00 2.91 -0.03 3.17 1.43 -1.26 -4.95 118.68 119.95 1sou s LEU 2 Ca 0.00 1.51 -0.24 0.00 -1.03 0.00 0.00 54.13 54.36 1sou s LEU 2 Cb 0.00 -4.27 -0.19 0.00 0.03 0.00 0.00 46.19 41.76 1sou s LEU 2 CO 0.00 -1.69 1.11 0.11 0.23 0.00 0.00 176.35 176.11 1sou h LYS 3 N -0.89 -0.12 0.00 1.70 1.79 -2.00 -2.83 116.57 114.21 1sou h LYS 3 Ca -0.45 0.01 -0.03 0.00 -2.18 0.00 0.00 60.65 58.00 1sou h LYS 3 Cb 1.23 0.03 -0.00 0.00 -1.58 0.00 0.00 32.23 31.91 1sou h LYS 3 CO 0.57 0.35 -0.15 1.03 -1.08 0.00 0.00 179.45 180.17 1sou h SER 4 N -0.67 0.00 0.36 0.86 0.87 -1.97 -0.96 113.55 112.03 1sou h SER 4 Ca -0.01 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.54 1sou h SER 4 Cb 0.53 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.48 1sou h SER 4 CO 0.02 0.15 -0.24 -0.08 -0.53 0.00 0.00 176.83 176.15 1sou h GLU 5 N 0.00 -0.57 -0.23 2.24 4.81 -1.92 0.19 114.58 119.11 1sou h GLU 5 Ca -0.00 0.04 -0.13 0.00 -0.13 0.00 0.00 59.36 59.13 1sou h GLU 5 Cb 0.44 0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.94 1sou h GLU 5 CO 0.02 -0.38 -0.42 1.25 -0.73 0.00 0.00 179.01 178.75 1sou h LEU 6 N -0.59 0.59 -0.73 1.64 5.85 -1.24 -2.96 115.31 117.86 1sou h LEU 6 Ca -0.03 -0.27 0.01 0.00 0.84 0.00 0.00 57.88 58.43 1sou h LEU 6 Cb 0.50 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.33 1sou h LEU 6 CO 0.02 0.94 0.48 -0.09 -0.34 0.00 0.00 178.44 179.44 1sou h ARG 7 N 0.45 0.97 -0.63 1.25 2.43 -0.91 -1.08 114.38 116.85 1sou h ARG 7 Ca 0.04 -0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 59.12 1sou h ARG 7 Cb 0.92 -0.22 -0.03 0.00 -0.42 0.00 0.00 29.97 30.23 1sou h ARG 7 CO 0.08 0.65 0.32 0.87 -1.51 0.00 0.00 179.97 180.38 1sou h LYS 8 N 0.99 0.90 0.15 0.20 1.57 -0.54 -1.99 116.57 117.85 1sou h LYS 8 Ca 0.27 -0.12 -0.01 0.00 -1.87 0.00 0.00 60.65 58.91 1sou h LYS 8 Cb -0.10 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.04 1sou h LYS 8 CO -0.06 0.71 -0.07 0.87 -0.57 0.00 0.00 179.45 180.33 1sou h LYS 9 N 0.87 -0.20 -0.51 3.15 1.57 -1.26 0.09 116.57 120.29 1sou h LYS 9 Ca 0.22 0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 59.01 1sou h LYS 9 Cb 0.09 0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.42 1sou h LYS 9 CO -0.03 0.03 0.32 0.28 -0.57 0.00 0.00 179.45 179.47 1sou h VAL 10 N -0.40 1.15 -0.25 0.50 2.07 -1.20 -1.32 116.25 116.79 1sou h VAL 10 Ca -0.02 -0.32 -0.13 0.00 0.82 0.00 0.00 66.70 67.06 1sou h VAL 10 Cb 0.32 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 30.52 1sou h VAL 10 CO 0.03 0.15 -0.36 -0.07 0.02 0.00 0.00 177.57 177.34 1sou h LEU 11 N 0.68 0.59 -0.72 2.57 3.38 -1.33 -2.47 115.31 118.01 1sou h LEU 11 Ca 0.18 -0.25 -0.10 0.00 0.09 0.00 0.00 57.88 57.80 1sou h LEU 11 Cb -0.03 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 1sou h LEU 11 CO -0.04 0.90 -0.15 -0.74 0.09 0.00 0.00 178.44 178.51 1sou h HIS 12 N 0.48 0.92 -0.10 1.13 2.76 -0.58 -1.95 115.15 117.80 1sou h HIS 12 Ca 0.05 -0.19 -0.07 0.00 -2.20 0.00 0.00 60.37 57.96 1sou h HIS 12 Cb 0.85 -0.23 -0.01 0.00 1.55 0.00 0.00 27.41 29.57 1sou h HIS 12 CO 0.03 0.91 -0.26 0.87 -1.30 0.00 0.00 177.93 178.18 1sou h LYS 13 N 0.73 0.18 0.38 5.26 1.57 -1.08 0.95 116.57 124.57 1sou h LYS 13 Ca 0.11 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.82 1sou h LYS 13 Cb 0.66 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.95 1sou h LYS 13 CO 0.05 0.44 -0.18 0.00 -0.57 0.00 0.00 179.45 179.18 1sou h ARG 14 N 0.17 -0.49 -0.18 3.15 3.08 -0.96 -3.19 114.38 115.96 1sou h ARG 14 Ca 0.03 0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.11 1sou h ARG 14 Cb 0.56 0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.72 1sou h ARG 14 CO 0.04 -0.23 0.00 0.44 -1.07 0.00 0.00 179.97 179.15 1sou n ILE 15 N -5.24 0.24 0.03 2.04 -5.35 -0.78 -3.02 119.36 107.27 1sou n ILE 15 Ca -0.10 -0.32 -0.09 0.00 -0.27 0.00 0.00 62.75 61.97 1sou n ILE 15 Cb 0.26 0.24 -0.13 0.00 -1.74 0.00 0.00 39.64 38.27 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 1.81 0.06 -3.98 7.28 -1.24 -0.80 -3.46 115.58 115.25 1sou h ASN 16 Ca 0.00 -0.08 -0.52 0.00 0.71 0.00 0.00 56.30 56.41 1sou h ASN 16 Cb 0.40 -0.02 0.08 0.00 0.73 0.00 0.00 38.32 39.51 1sou h ASN 16 CO 0.00 1.06 0.54 -0.76 -1.29 0.00 0.00 177.43 176.99 1sou s LEU 17 N -6.53 4.07 0.55 0.34 1.43 -1.17 -4.99 118.68 112.38 1sou s LEU 17 Ca -0.02 2.48 -0.19 0.00 -1.03 0.00 0.00 54.13 55.37 1sou s LEU 17 Cb 0.09 -4.12 -0.06 0.00 0.03 0.00 0.00 46.19 42.13 1sou s LEU 17 CO 0.83 -0.97 1.09 -0.44 0.23 0.00 0.00 176.35 177.09 1sou s SER 18 N -1.09 5.83 0.34 2.29 0.01 -1.26 -4.86 113.70 114.96 1sou s SER 18 Ca 0.62 2.04 0.02 0.00 1.31 0.00 0.00 55.95 59.94 1sou s SER 18 Cb -0.33 -2.57 0.63 0.00 0.21 0.00 0.00 66.02 63.96 1sou s SER 18 CO 0.41 -1.14 1.99 -0.08 0.41 0.00 0.00 173.24 174.84 1sou h GLU 19 N 1.06 0.86 -0.04 12.44 4.57 -1.96 -1.39 114.58 130.11 1sou h GLU 19 Ca -0.49 -0.05 0.03 0.00 -1.18 0.00 0.00 59.36 57.67 1sou h GLU 19 Cb 1.24 -0.19 -0.04 0.00 -0.16 0.00 0.00 28.75 29.60 1sou h GLU 19 CO 0.57 0.57 -0.18 0.93 -1.18 0.00 0.00 179.01 179.72 1sou h GLU 20 N 0.88 -0.26 -0.80 1.92 5.08 -1.99 0.29 114.58 119.70 1sou h GLU 20 Ca 0.26 0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.60 1sou h GLU 20 Cb -0.03 0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.25 1sou h GLU 20 CO -0.07 -0.17 0.32 1.49 -1.00 0.00 0.00 179.01 179.59 1sou h GLU 21 N -0.27 1.19 -0.59 2.33 4.57 -1.78 -1.73 114.58 118.30 1sou h GLU 21 Ca 0.07 -0.21 -0.09 0.00 -1.18 0.00 0.00 59.36 57.95 1sou h GLU 21 Cb 0.36 -0.20 -0.02 0.00 -0.16 0.00 0.00 28.75 28.73 1sou h GLU 21 CO -0.20 0.95 0.02 0.00 -1.18 0.00 0.00 179.01 178.61 1sou h ARG 22 N 1.16 1.01 -0.55 1.92 3.08 -0.74 0.14 114.38 120.40 1sou h ARG 22 Ca 0.27 -0.30 -0.06 0.00 0.07 0.00 0.00 59.98 59.96 1sou h ARG 22 Cb 0.21 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.13 1sou h ARG 22 CO -0.02 0.98 0.09 0.00 -1.07 0.00 0.00 179.97 179.95 1sou h ARG 23 N 0.93 0.87 -0.07 0.04 3.08 -0.11 0.15 114.38 119.28 1sou h ARG 23 Ca 0.17 -0.20 -0.03 0.00 0.07 0.00 0.00 59.98 59.99 1sou h ARG 23 Cb 0.51 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 30.44 1sou h ARG 23 CO 0.02 0.81 -0.06 0.00 -1.07 0.00 0.00 179.97 179.67 1sou h ARG 24 N 0.83 0.17 -0.34 0.04 3.08 -0.85 -2.62 114.38 114.68 1sou h ARG 24 Ca 0.17 -0.08 -0.08 0.00 0.07 0.00 0.00 59.98 60.05 1sou h ARG 24 Cb 0.36 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.40 1sou h ARG 24 CO 0.01 0.59 -0.11 -0.07 -1.07 0.00 0.00 179.97 179.32 1sou h LEU 25 N -0.26 0.69 -0.55 3.04 3.38 -0.65 -2.56 115.31 118.41 1sou h LEU 25 Ca 0.01 -0.38 -0.02 0.00 0.09 0.00 0.00 57.88 57.59 1sou h LEU 25 Cb 0.56 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.10 1sou h LEU 25 CO 0.02 0.92 0.28 -1.28 0.09 0.00 0.00 178.44 178.46 1sou h SER 26 N 0.46 0.71 -0.28 -0.43 0.87 -0.76 -1.30 113.55 112.82 1sou h SER 26 Ca 0.08 -0.11 -0.06 0.00 -1.23 0.00 0.00 61.79 60.47 1sou h SER 26 Cb 0.63 -0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 62.39 1sou h SER 26 CO 0.04 0.62 -0.02 -0.08 -0.53 0.00 0.00 176.83 176.86 1sou h GLU 27 N 0.74 0.62 -0.58 2.24 4.81 -1.45 0.16 114.58 121.12 1sou h GLU 27 Ca 0.19 -0.15 0.02 0.00 -0.13 0.00 0.00 59.36 59.29 1sou h GLU 27 Cb 0.09 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 29.35 1sou h GLU 27 CO -0.03 0.66 0.36 -0.22 -0.73 0.00 0.00 179.01 179.05 1sou h LYS 28 N 0.59 0.70 -0.49 1.92 3.64 -0.96 0.13 116.57 122.10 1sou h LYS 28 Ca 0.12 -0.04 -0.12 0.00 -1.27 0.00 0.00 60.65 59.33 1sou h LYS 28 Cb 0.41 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.06 1sou h LYS 28 CO 0.02 0.46 -0.18 0.28 -2.27 0.00 0.00 179.45 177.76 1sou h VAL 29 N 0.72 1.27 -0.04 2.00 2.07 -0.39 -0.43 116.25 121.45 1sou h VAL 29 Ca 0.23 -1.34 -0.00 0.00 0.82 0.00 0.00 66.70 66.41 1sou h VAL 29 Cb -0.01 1.08 -0.00 0.00 -1.52 0.00 0.00 31.29 30.84 1sou h VAL 29 CO -0.09 0.46 0.02 0.40 0.02 0.00 0.00 177.57 178.39 1sou h ILE 30 N 0.85 1.07 -0.51 4.57 2.04 -0.21 0.15 117.51 125.46 1sou h ILE 30 Ca 0.12 -0.19 -0.07 0.00 1.00 0.00 0.00 64.86 65.73 1sou h ILE 30 Cb 0.74 1.12 -0.02 0.00 -0.74 0.00 0.00 36.82 37.92 1sou h ILE 30 CO 0.06 0.05 0.05 -1.28 0.00 0.00 0.00 178.15 177.03 1sou h SER 31 N -0.01 0.78 -0.69 1.72 0.87 -0.70 -1.26 113.55 114.26 1sou h SER 31 Ca 0.01 -0.17 -0.06 0.00 -1.23 0.00 0.00 61.79 60.34 1sou h SER 31 Cb 0.07 -0.21 -0.03 0.00 -0.44 0.00 0.00 62.40 61.79 1sou h SER 31 CO -0.00 0.82 0.20 -1.13 -0.53 0.00 0.00 176.83 176.19 1sou h ASN 32 N 0.78 1.04 -0.10 6.23 -1.24 -0.79 -0.72 115.58 120.77 1sou h ASN 32 Ca 0.16 -0.20 -0.07 0.00 0.71 0.00 0.00 56.30 56.89 1sou h ASN 32 Cb 0.40 -0.27 -0.02 0.00 0.73 0.00 0.00 38.32 39.16 1sou h ASN 32 CO 0.01 0.98 -0.15 0.25 -1.29 0.00 0.00 177.43 177.23 1sou h LEU 33 N 1.05 0.45 -0.89 0.34 5.85 -0.14 -1.36 115.31 120.62 1sou h LEU 33 Ca 0.23 -0.12 -0.07 0.00 0.84 0.00 0.00 57.88 58.75 1sou h LEU 33 Cb 0.33 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.23 1sou h LEU 33 CO -0.00 0.63 -0.35 0.11 -0.34 0.00 0.00 178.44 178.48 1sou h LYS 34 N 0.43 0.00 0.00 1.25 1.57 -0.65 -2.81 116.57 116.35 1sou h LYS 34 Ca 0.08 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.83 1sou h LYS 34 Cb 0.51 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.82 1sou h LYS 34 CO 0.03 0.35 -0.12 1.03 -0.57 0.00 0.00 179.45 180.17 1sou h SER 35 N 0.00 0.00 -2.28 0.86 0.87 -0.11 -3.45 113.55 109.43 1sou h SER 35 Ca -0.00 0.00 -0.56 0.00 -1.23 0.00 0.00 61.79 60.00 1sou h SER 35 Cb 0.91 0.00 0.02 0.00 -0.44 0.00 0.00 62.40 62.89 1sou h SER 35 CO 0.05 0.12 1.16 -0.11 -0.53 0.00 0.00 176.83 177.51 1sou n LEU 36 N -3.14 3.90 -0.30 2.23 0.00 -0.64 -4.89 117.00 114.16 1sou n LEU 36 Ca 0.03 0.95 0.13 0.00 0.00 0.00 0.00 56.01 57.12 1sou n LEU 36 Cb 0.55 -1.48 0.38 0.00 0.00 0.00 0.00 43.42 42.87 1sou n LEU 36 CO 0.35 0.10 1.22 -0.65 0.00 0.00 0.00 177.39 178.41 1sou h PRO 37 N 9.62 0.66 0.00 1.96 0.11 -1.88 -0.58 132.00 141.89 1sou h PRO 37 Ca -0.49 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.58 1sou h PRO 37 Cb 1.25 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1sou h PRO 37 CO 0.94 0.44 0.00 0.93 -0.21 0.00 0.00 178.00 180.10 1sou h GLU 38 N 0.68 0.00 0.00 1.05 3.07 -1.93 -1.89 114.58 115.56 1sou h GLU 38 Ca 0.49 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.35 1sou h GLU 38 Cb 0.85 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.76 1sou h GLU 38 CO -0.25 0.00 0.00 0.35 -1.40 0.00 0.00 179.01 177.71 1sou h PHE 39 N 0.00 0.00 0.01 4.33 3.57 -1.38 -2.22 116.94 121.26 1sou h PHE 39 Ca 0.00 0.00 -0.13 0.00 3.53 0.00 0.00 57.97 61.37 1sou h PHE 39 Cb 0.05 0.00 0.01 0.00 2.79 0.00 0.00 35.95 38.80 1sou h PHE 39 CO 0.00 0.00 -0.51 -0.22 -2.23 0.00 0.00 178.31 175.35 1sou h LYS 40 N 0.00 0.32 -0.04 1.11 3.64 -1.52 -3.34 116.57 116.73 1sou h LYS 40 Ca 0.00 -0.37 -0.21 0.00 -1.27 0.00 0.00 60.65 58.81 1sou h LYS 40 Cb 0.36 0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.29 1sou h LYS 40 CO 0.00 1.07 -0.84 -0.22 -2.27 0.00 0.00 179.45 177.19 1sou h LYS 41 N -0.27 0.44 -6.01 1.90 3.64 -1.66 -3.42 116.57 111.19 1sou h LYS 41 Ca -0.07 -0.41 -0.47 0.00 -1.27 0.00 0.00 60.65 58.43 1sou h LYS 41 Cb 1.26 0.10 -0.06 0.00 -0.41 0.00 0.00 32.23 33.12 1sou h LYS 41 CO 0.10 1.06 1.15 -1.54 -2.27 0.00 0.00 179.45 177.95 1sou s SER 42 N -7.04 5.60 0.16 4.20 1.04 -0.86 -4.77 113.70 112.03 1sou s SER 42 Ca -0.06 -0.35 0.00 0.00 0.48 0.00 0.00 55.95 56.03 1sou s SER 42 Cb 0.09 -2.55 -0.00 0.00 0.10 0.00 0.00 66.02 63.66 1sou s SER 42 CO 0.86 -2.24 1.38 0.50 0.98 0.00 0.00 173.24 174.72 1sou h LYS 43 N 12.24 0.28 -4.24 4.02 3.64 -1.87 -3.42 116.57 127.21 1sou h LYS 43 Ca -0.11 -0.28 -0.75 0.00 -1.27 0.00 0.00 60.65 58.24 1sou h LYS 43 Cb 1.08 0.08 -0.23 0.00 -0.41 0.00 0.00 32.23 32.74 1sou h LYS 43 CO 1.26 0.98 -0.20 0.15 -2.27 0.00 0.00 179.45 179.37 1sou s LYS 44 N -3.32 3.00 -0.27 1.90 1.02 -1.26 -0.38 119.74 120.43 1sou s LYS 44 Ca -0.04 -1.55 -0.04 0.00 0.02 0.00 0.00 55.97 54.36 1sou s LYS 44 Cb 0.10 -4.25 0.02 0.00 -0.52 0.00 0.00 37.83 33.18 1sou s LYS 44 CO 0.84 -1.27 0.01 0.08 -0.92 0.00 0.00 175.35 174.08 1sou s VAL 45 N 1.76 3.39 -0.12 3.17 1.01 -0.08 -1.71 120.40 127.82 1sou s VAL 45 Ca 0.05 -0.87 -0.12 0.00 0.00 0.00 0.00 61.98 61.03 1sou s VAL 45 Cb -0.28 -2.74 -0.05 0.00 0.00 0.00 0.00 36.38 33.32 1sou s VAL 45 CO 0.05 0.14 0.27 0.00 0.00 0.00 0.00 175.10 175.56 1sou s ALA 46 N 1.41 3.69 -0.05 5.51 0.00 0.50 -0.45 121.76 132.36 1sou s ALA 46 Ca 0.01 -0.46 0.06 0.00 0.00 0.00 0.00 51.96 51.58 1sou s ALA 46 Cb -0.17 -2.28 -0.01 0.00 0.00 0.00 0.00 23.12 20.66 1sou s ALA 46 CO -0.01 0.30 -0.25 -0.51 0.00 0.00 0.00 175.76 175.29 1sou s LEU 47 N -0.22 2.06 0.03 0.00 1.43 -0.03 -0.40 118.68 121.56 1sou s LEU 47 Ca 0.17 -0.50 0.22 0.00 -1.03 0.00 0.00 54.13 52.99 1sou s LEU 47 Cb -0.13 -1.36 0.91 0.00 0.03 0.00 0.00 46.19 45.64 1sou s LEU 47 CO 0.06 0.25 1.69 0.00 0.23 0.00 0.00 176.35 178.58 1sou n TYR 48 N 2.87 0.12 -1.94 0.29 9.36 -0.98 -4.20 117.16 122.69 1sou n TYR 48 Ca -0.17 0.04 -0.01 0.00 3.32 0.00 0.00 57.90 61.08 1sou n TYR 48 Cb 0.52 -0.57 -0.01 0.00 -0.63 0.00 0.00 39.34 38.65 1sou n TYR 48 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1sou s PRO 50 N -1.04 3.98 0.21 0.00 0.04 -1.26 -4.95 135.00 131.98 1sou s PRO 50 Ca -0.06 1.17 0.01 0.00 0.04 0.00 0.00 61.00 62.16 1sou s PRO 50 Cb 0.00 -2.14 -0.05 0.00 0.04 0.00 0.00 34.50 32.36 1sou s PRO 50 CO 0.16 -0.25 0.04 0.96 0.04 0.00 0.00 177.00 177.95 1sou s ILE 51 N -2.22 0.61 0.00 0.56 -4.36 -1.26 -4.83 121.20 109.70 1sou s ILE 51 Ca 0.63 -1.99 0.00 0.00 -0.26 0.00 0.00 60.65 59.03 1sou s ILE 51 Cb -0.12 -2.33 0.00 0.00 1.25 0.00 0.00 42.46 41.27 1sou s ILE 51 CO 0.20 -0.28 0.00 0.29 0.24 0.00 0.00 174.94 175.39 1sou n LYS 52 N -0.33 -1.33 0.00 0.37 5.02 -1.26 -4.29 118.16 116.34 1sou n LYS 52 Ca -0.04 0.33 0.00 0.00 -2.02 0.00 0.00 58.31 56.58 1sou n LYS 52 Cb 0.64 -4.47 0.00 0.00 -0.02 0.00 0.00 35.03 31.18 1sou n LYS 52 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1sou n GLY 53 N -0.20 1.79 5.08 0.72 0.00 -1.26 -4.83 105.19 106.49 1sou n GLY 53 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 0.00 -3.68 1.61 1.02 -1.26 -3.68 120.64 114.64 1sou n GLU 54 Ca 0.00 0.00 -0.30 0.00 -0.02 0.00 0.00 57.16 56.84 1sou n GLU 54 Cb 0.00 0.00 -0.14 0.00 -0.02 0.00 0.00 31.44 31.28 1sou n GLU 54 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1sou s VAL 55 N 0.00 0.87 -0.58 2.62 1.01 -1.26 -4.86 120.40 118.20 1sou s VAL 55 Ca 0.00 -1.70 -0.24 0.00 0.00 0.00 0.00 61.98 60.04 1sou s VAL 55 Cb 0.00 -1.64 0.04 0.00 0.00 0.00 0.00 36.38 34.78 1sou s VAL 55 CO 0.00 -0.77 0.99 -0.62 0.00 0.00 0.00 175.10 174.69 1sou s ASP 56 N 1.25 6.32 0.00 3.32 2.15 -1.24 -4.69 116.67 123.78 1sou s ASP 56 Ca 0.13 -0.40 0.23 0.00 0.43 0.00 0.00 52.55 52.94 1sou s ASP 56 Cb -0.20 -2.45 0.54 0.00 -0.30 0.00 0.00 42.92 40.51 1sou s ASP 56 CO -0.16 -1.31 1.45 0.18 -0.17 0.00 0.00 175.17 175.15 1sou n LEU 57 N 7.70 2.68 -0.35 -1.34 4.77 -1.26 -4.44 117.00 124.77 1sou n LEU 57 Ca 0.02 -1.09 -0.00 0.00 -0.03 0.00 0.00 56.01 54.90 1sou n LEU 57 Cb 0.47 -0.15 0.16 0.00 -2.33 0.00 0.00 43.42 41.57 1sou n LEU 57 CO 0.65 0.55 1.28 0.74 -1.33 0.00 0.00 177.39 179.27 1sou h THR 58 N 3.65 1.20 0.00 -5.08 2.02 -1.96 -1.98 112.91 110.75 1sou h THR 58 Ca 0.00 -0.43 0.00 0.00 0.77 0.00 0.00 66.41 66.75 1sou h THR 58 Cb 0.80 -0.16 0.00 0.00 -1.74 0.00 0.00 68.15 67.04 1sou h THR 58 CO 0.00 0.23 0.05 -2.65 0.37 0.00 0.00 175.52 173.52 1sou n PRO 59 N -4.42 0.00 0.05 6.66 -0.02 -1.26 -1.14 135.00 134.86 1sou n PRO 59 Ca 0.12 0.43 0.13 0.00 -2.02 0.00 0.00 63.50 62.16 1sou n PRO 59 Cb 0.07 -1.55 0.33 0.00 -0.02 0.00 0.00 33.50 32.33 1sou n PRO 59 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 1sou n LEU 60 N -1.43 0.55 0.08 2.45 7.94 -0.74 -4.08 117.00 121.77 1sou n LEU 60 Ca 0.00 0.33 -0.12 0.00 -1.11 0.00 0.00 56.01 55.11 1sou n LEU 60 Cb 0.05 -0.29 -0.05 0.00 0.53 0.00 0.00 43.42 43.66 1sou n LEU 60 CO 0.00 -0.04 0.70 -0.26 -1.11 0.00 0.00 177.39 176.68 1sou h PHE 61 N 0.00 -0.63 -0.78 1.96 -1.00 -1.30 -1.53 116.94 113.66 1sou h PHE 61 Ca 0.00 0.02 0.21 0.00 2.81 0.00 0.00 57.97 61.01 1sou h PHE 61 Cb 0.65 0.27 -0.04 0.00 3.61 0.00 0.00 35.95 40.44 1sou h PHE 61 CO 0.00 -0.33 0.55 -1.35 -1.61 0.00 0.00 178.31 175.57 1sou h PRO 62 N -0.40 0.12 -0.04 1.51 0.11 -1.80 0.24 132.00 131.75 1sou h PRO 62 Ca 0.05 -0.01 -0.16 0.00 0.11 0.00 0.00 66.00 65.99 1sou h PRO 62 Cb 0.45 -0.03 0.01 0.00 0.11 0.00 0.00 31.00 31.55 1sou h PRO 62 CO -0.18 0.08 -0.59 0.93 -0.21 0.00 0.00 178.00 178.02 1sou h GLU 63 N 0.12 0.46 -0.14 1.05 4.39 -1.59 -3.30 114.58 115.57 1sou h GLU 63 Ca 0.38 -0.45 -0.16 0.00 0.34 0.00 0.00 59.36 59.46 1sou h GLU 63 Cb 1.32 0.12 0.01 0.00 -0.10 0.00 0.00 28.75 30.09 1sou h GLU 63 CO -0.05 1.10 -0.55 0.28 -1.16 0.00 0.00 179.01 178.62 1sou h VAL 64 N -0.00 1.33 0.00 3.13 2.07 -0.34 -3.11 116.25 119.32 1sou h VAL 64 Ca -0.06 -1.82 0.00 0.00 0.82 0.00 0.00 66.70 65.63 1sou h VAL 64 Cb 1.28 2.06 0.00 0.00 -1.52 0.00 0.00 31.29 33.11 1sou h VAL 64 CO 0.12 0.56 0.00 0.18 0.02 0.00 0.00 177.57 178.45 1sou n LEU 65 N -4.15 0.00 0.28 2.57 4.77 -0.02 -0.43 117.00 120.03 1sou n LEU 65 Ca -0.07 0.29 -0.14 0.00 -0.03 0.00 0.00 56.01 56.05 1sou n LEU 65 Cb 0.63 -0.29 -0.07 0.00 -2.33 0.00 0.00 43.42 41.35 1sou n LEU 65 CO 0.48 -0.20 0.45 0.11 -1.33 0.00 0.00 177.39 176.90 1sou h LYS 66 N 0.00 -0.72 0.00 3.23 1.57 -1.61 -3.44 116.57 115.60 1sou h LYS 66 Ca 0.00 0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 1sou h LYS 66 Cb 0.09 0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.56 1sou h LYS 66 CO 0.00 -0.41 -0.10 0.39 -0.57 0.00 0.00 179.45 178.76 1sou n GLU 67 N -5.31 4.29 -2.56 3.15 1.02 -1.09 -5.11 120.64 115.04 1sou n GLU 67 Ca -0.11 0.00 -0.23 0.00 -0.02 0.00 0.00 57.16 56.80 1sou n GLU 67 Cb 0.33 -0.45 0.07 0.00 -0.02 0.00 0.00 31.44 31.37 1sou n GLU 67 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1sou s LYS 68 N -0.23 2.09 -0.29 3.49 1.02 0.43 -5.07 119.74 121.19 1sou s LYS 68 Ca 0.00 -0.88 -0.11 0.00 0.02 0.00 0.00 55.97 55.00 1sou s LYS 68 Cb 0.00 -2.38 -0.04 0.00 -0.52 0.00 0.00 37.83 34.90 1sou s LYS 68 CO 0.00 -1.12 0.19 -1.21 -0.92 0.00 0.00 175.35 172.28 1sou s GLU 69 N -5.00 3.78 -0.43 1.68 2.02 0.49 -4.47 118.70 116.77 1sou s GLU 69 Ca 0.62 -0.43 -0.23 0.00 0.02 0.00 0.00 54.97 54.95 1sou s GLU 69 Cb -0.08 -3.65 0.02 0.00 0.10 0.00 0.00 34.13 30.52 1sou s GLU 69 CO 0.42 -0.25 0.77 -1.17 0.02 0.00 0.00 175.26 175.05 1sou s LEU 70 N 1.73 4.24 -0.38 1.80 2.96 -0.44 -0.90 118.68 127.69 1sou s LEU 70 Ca 0.07 -0.03 -0.16 0.00 -0.22 0.00 0.00 54.13 53.79 1sou s LEU 70 Cb -0.16 -2.95 0.01 0.00 0.50 0.00 0.00 46.19 43.58 1sou s LEU 70 CO 0.10 -0.86 0.36 -0.63 -1.32 0.00 0.00 176.35 174.00 1sou s ILE 71 N 3.21 5.17 0.03 6.68 1.01 0.40 -0.43 121.20 137.27 1sou s ILE 71 Ca 0.29 -0.26 0.06 0.00 0.00 0.00 0.00 60.65 60.74 1sou s ILE 71 Cb -0.12 -3.91 -0.03 0.00 0.01 0.00 0.00 42.46 38.40 1sou s ILE 71 CO 0.21 -0.25 -0.15 -0.76 0.00 0.00 0.00 174.94 174.00 1sou s LEU 72 N 1.96 2.76 0.01 2.97 1.43 -0.04 -0.85 118.68 126.92 1sou s LEU 72 Ca 0.10 -0.36 -0.26 0.00 -1.03 0.00 0.00 54.13 52.58 1sou s LEU 72 Cb -0.17 -1.60 -0.04 0.00 0.03 0.00 0.00 46.19 44.40 1sou s LEU 72 CO 0.12 0.26 0.83 -2.16 0.23 0.00 0.00 176.35 175.63 1sou s PRO 73 N -1.46 4.52 -0.20 1.29 0.05 -1.26 -0.91 135.00 137.03 1sou s PRO 73 Ca 0.15 1.16 -0.07 0.00 0.05 0.00 0.00 61.00 62.30 1sou s PRO 73 Cb -0.11 -3.41 -0.03 0.00 0.05 0.00 0.00 34.50 31.00 1sou s PRO 73 CO 0.06 0.13 0.05 0.15 0.05 0.00 0.00 177.00 177.44 1sou s LYS 74 N 0.44 3.78 -0.69 4.56 1.02 0.42 -4.67 119.74 124.60 1sou s LYS 74 Ca 0.43 -0.43 -0.05 0.00 0.02 0.00 0.00 55.97 55.94 1sou s LYS 74 Cb -0.20 -3.20 0.18 0.00 -0.52 0.00 0.00 37.83 34.09 1sou s LYS 74 CO 0.24 0.08 0.54 0.08 -0.92 0.00 0.00 175.35 175.37 1sou s VAL 75 N 0.88 4.15 -0.69 3.17 1.01 -1.26 -0.72 120.40 126.94 1sou s VAL 75 Ca 0.03 -2.97 0.16 0.00 0.00 0.00 0.00 61.98 59.19 1sou s VAL 75 Cb -0.14 -3.66 0.76 0.00 0.00 0.00 0.00 36.38 33.34 1sou s VAL 75 CO 0.02 -0.93 1.67 -1.84 0.00 0.00 0.00 175.10 174.02 1sou n GLU 76 N 3.45 4.28 0.00 2.72 0.00 -1.25 -4.87 120.64 124.96 1sou n GLU 76 Ca 0.10 -2.94 0.00 0.00 0.00 0.00 0.00 57.16 54.33 1sou n GLU 76 Cb 0.39 -2.08 0.00 0.00 0.00 0.00 0.00 31.44 29.75 1sou n GLU 76 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1sou n GLY 77 N 0.86 0.65 0.00 -1.84 0.00 -1.26 -4.79 105.19 98.81 1sou n GLY 77 Ca 0.26 -0.75 0.12 0.00 0.00 0.00 0.00 46.02 45.65 1sou n GLY 77 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1sou n ASN 78 N 0.00 0.56 -4.35 1.61 4.13 -1.26 -4.72 115.26 111.23 1sou n ASN 78 Ca 0.00 -0.33 -0.40 0.00 1.68 0.00 0.00 54.58 55.53 1sou n ASN 78 Cb 0.00 0.34 -0.11 0.00 -1.54 0.00 0.00 39.78 38.47 1sou n ASN 78 CO 0.00 0.00 0.00 -1.83 0.28 0.00 0.00 177.26 175.71 1sou s GLU 79 N -3.00 2.77 -0.44 3.52 -1.05 -1.26 -5.05 118.70 114.19 1sou s GLU 79 Ca 0.11 -1.15 -0.24 0.00 -0.15 0.00 0.00 54.97 53.54 1sou s GLU 79 Cb 0.17 -3.72 0.02 0.00 -0.44 0.00 0.00 34.13 30.17 1sou s GLU 79 CO 0.72 -0.74 0.82 0.42 0.95 0.00 0.00 175.26 177.43 1sou s ILE 80 N 1.52 4.62 -0.55 1.83 1.01 -1.26 -3.85 121.20 124.53 1sou s ILE 80 Ca 0.02 0.60 -0.26 0.00 0.00 0.00 0.00 60.65 61.00 1sou s ILE 80 Cb -0.20 -4.33 0.03 0.00 0.01 0.00 0.00 42.46 37.98 1sou s ILE 80 CO 0.06 -0.70 1.06 -0.44 0.00 0.00 0.00 174.94 174.92 1sou s SER 81 N 2.11 6.43 -0.66 3.58 0.01 0.10 -4.81 113.70 120.47 1sou s SER 81 Ca 0.32 -0.03 -0.27 0.00 1.31 0.00 0.00 55.95 57.28 1sou s SER 81 Cb -0.12 -2.50 0.00 0.00 0.21 0.00 0.00 66.02 63.62 1sou s SER 81 CO 0.23 -1.32 1.58 -0.76 0.41 0.00 0.00 173.24 173.37 1sou s LEU 82 N 4.40 3.25 -0.33 2.44 1.43 -1.26 -0.44 118.68 128.17 1sou s LEU 82 Ca 0.38 0.01 -0.16 0.00 -1.03 0.00 0.00 54.13 53.33 1sou s LEU 82 Cb -0.10 -2.60 -0.02 0.00 0.03 0.00 0.00 46.19 43.51 1sou s LEU 82 CO 0.24 -2.09 0.40 -0.31 0.23 0.00 0.00 176.35 174.82 1sou s TYR 83 N 7.39 3.21 -0.15 0.29 1.51 -0.09 -0.43 117.35 129.07 1sou s TYR 83 Ca 0.52 0.11 -0.26 0.00 -1.01 0.00 0.00 57.07 56.44 1sou s TYR 83 Cb -0.11 -2.70 -0.02 0.00 -0.11 0.00 0.00 41.96 39.02 1sou s TYR 83 CO 0.19 -0.41 0.85 -0.98 -1.11 0.00 0.00 175.55 174.08 1sou s ARG 84 N 2.11 4.32 -0.03 -0.62 1.70 -0.71 -0.86 118.95 124.86 1sou s ARG 84 Ca 0.14 1.06 0.01 0.00 -0.47 0.00 0.00 55.73 56.47 1sou s ARG 84 Cb -0.16 -3.56 0.01 0.00 -0.57 0.00 0.00 34.95 30.67 1sou s ARG 84 CO 0.12 -0.30 -0.04 0.08 -1.08 0.00 0.00 175.30 174.08 1sou s VAL 85 N 2.05 0.40 -0.08 4.99 1.01 0.43 -3.39 120.40 125.80 1sou s VAL 85 Ca 0.40 -0.10 0.02 0.00 0.00 0.00 0.00 61.98 62.29 1sou s VAL 85 Cb -0.17 -0.41 -0.02 0.00 0.00 0.00 0.00 36.38 35.78 1sou s VAL 85 CO 0.13 0.17 0.07 1.57 0.00 0.00 0.00 175.10 177.04 1sou n HIS 86 N 3.70 0.00 -3.36 5.22 -0.00 -1.26 -1.32 115.22 118.20 1sou n HIS 86 Ca -0.22 0.00 -0.38 0.00 -0.00 0.00 0.00 57.72 57.12 1sou n HIS 86 Cb 0.53 0.00 -0.06 0.00 -0.00 0.00 0.00 29.99 30.46 1sou n HIS 86 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 176.34 175.22 1sou s SER 87 N -1.16 6.86 0.76 0.26 0.01 -1.26 -4.88 113.70 114.30 1sou s SER 87 Ca 0.01 1.02 -0.12 0.00 1.31 0.00 0.00 55.95 58.17 1sou s SER 87 Cb 0.01 -2.30 0.05 0.00 0.21 0.00 0.00 66.02 63.99 1sou s SER 87 CO 0.07 0.20 1.11 -2.84 0.41 0.00 0.00 173.24 172.18 1sou s PRO 88 N -0.50 2.36 0.00 12.44 0.02 -1.26 -4.09 135.00 143.97 1sou s PRO 88 Ca 0.26 0.47 0.00 0.00 0.02 0.00 0.00 61.00 61.76 1sou s PRO 88 Cb -0.17 -1.96 0.00 0.00 0.02 0.00 0.00 34.50 32.39 1sou s PRO 88 CO 0.14 -1.39 0.00 0.00 -0.33 0.00 0.00 177.00 175.42 1sou n ALA 89 N -3.25 0.00 -0.73 -1.55 0.00 -1.26 -4.82 120.51 108.90 1sou n ALA 89 Ca 0.07 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.36 1sou n ALA 89 Cb 0.57 -0.82 0.18 0.00 0.00 0.00 0.00 19.45 19.38 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 -2.56 2.79 0.01 0.00 1.43 -1.26 -1.01 118.68 118.08 1sou s LEU 91 Ca 0.45 -0.19 0.03 0.00 -1.03 0.00 0.00 54.13 53.39 1sou s LEU 91 Cb 0.37 -1.58 -0.01 0.00 0.03 0.00 0.00 46.19 45.00 1sou s LEU 91 CO 0.09 0.32 -0.09 -0.83 0.23 0.00 0.00 176.35 176.08 1sou s GLY 92 N -0.57 0.47 -0.14 -3.19 0.00 0.68 -4.82 107.32 99.74 1sou s GLY 92 Ca 0.08 -0.51 -0.19 0.00 0.00 0.00 0.00 44.72 44.10 1sou s GLY 92 CO 0.01 -0.49 0.51 0.14 0.00 0.00 0.00 173.10 173.28 1sou s VAL 93 N -0.57 5.15 0.00 1.40 1.01 -1.26 -1.12 120.40 125.01 1sou s VAL 93 Ca -0.00 1.00 0.00 0.00 0.00 0.00 0.00 61.98 62.97 1sou s VAL 93 Cb -0.05 -3.85 0.00 0.00 0.00 0.00 0.00 36.38 32.48 1sou s VAL 93 CO 0.00 0.27 0.00 0.61 0.00 0.00 0.00 175.10 175.98 1sou n GLY 94 N 3.45 1.24 3.30 4.51 0.00 0.74 -4.98 105.19 113.45 1sou n GLY 94 Ca -0.06 -0.71 -0.26 0.00 0.00 0.00 0.00 46.02 44.99 1sou n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sou n ALA 95 N -3.00 -2.58 0.00 4.61 0.00 -1.26 -0.63 120.51 117.65 1sou n ALA 95 Ca 0.00 0.54 0.00 0.00 0.00 0.00 0.00 53.44 53.98 1sou n ALA 95 Cb 0.00 -2.57 0.00 0.00 0.00 0.00 0.00 19.45 16.88 1sou n ALA 95 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1sou n PHE 96 N -0.53 0.00 0.00 0.00 7.35 -1.26 -2.97 117.46 120.05 1sou n PHE 96 Ca -0.04 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.65 1sou n PHE 96 Cb 0.61 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.44 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 0.00 3.77 7.13 0.00 -1.12 -5.17 105.19 109.80 1sou n GLY 97 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 1sou n GLY 97 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1sou s ILE 98 N 0.00 2.00 -0.34 -0.61 -4.36 0.20 -4.82 121.20 113.27 1sou s ILE 98 Ca 0.00 -1.72 0.03 0.00 -0.26 0.00 0.00 60.65 58.70 1sou s ILE 98 Cb 0.00 -2.72 0.10 0.00 1.25 0.00 0.00 42.46 41.10 1sou s ILE 98 CO 0.00 0.00 0.08 0.00 0.24 0.00 0.00 174.94 175.26 1sou s MET 99 N -3.96 1.27 0.29 0.37 0.23 -1.26 -0.18 119.30 116.05 1sou s MET 99 Ca 0.34 -1.68 0.02 0.00 -1.03 0.00 0.00 55.69 53.34 1sou s MET 99 Cb 0.03 -2.83 -0.03 0.00 -1.53 0.00 0.00 34.83 30.46 1sou s MET 99 CO 0.19 -0.97 0.46 -1.83 -2.03 0.00 0.00 175.02 170.84 1sou s GLU 100 N 1.05 3.48 -0.27 3.16 -1.05 -0.27 -4.78 118.70 120.01 1sou s GLU 100 Ca 0.11 -0.48 -0.29 0.00 -0.15 0.00 0.00 54.97 54.16 1sou s GLU 100 Cb -0.19 -2.77 -0.00 0.00 -0.44 0.00 0.00 34.13 30.73 1sou s GLU 100 CO -0.13 0.29 1.27 -2.14 0.95 0.00 0.00 175.26 175.50 1sou s PRO 101 N -4.02 4.00 0.50 -4.83 0.02 -1.26 -0.23 135.00 129.18 1sou s PRO 101 Ca 0.38 1.32 0.29 0.00 0.02 0.00 0.00 61.00 63.01 1sou s PRO 101 Cb -0.10 -3.84 1.19 0.00 0.02 0.00 0.00 34.50 31.77 1sou s PRO 101 CO 0.32 -1.00 1.93 -0.39 -0.33 0.00 0.00 177.00 177.53 1sou h VAL 102 N 5.83 0.29 -3.82 3.83 -1.51 -1.39 -3.44 116.25 116.05 1sou h VAL 102 Ca -0.26 -0.78 -0.35 0.00 -1.23 0.00 0.00 66.70 64.09 1sou h VAL 102 Cb 1.09 1.60 -0.20 0.00 -2.13 0.00 0.00 31.29 31.66 1sou h VAL 102 CO 1.02 0.11 -0.75 -1.61 -1.23 0.00 0.00 177.57 175.11 1sou s GLU 103 N -3.71 0.81 0.00 5.19 2.02 -1.24 -5.09 118.70 116.68 1sou s GLU 103 Ca 0.00 -1.04 0.00 0.00 0.02 0.00 0.00 54.97 53.95 1sou s GLU 103 Cb 0.10 -0.62 0.00 0.00 0.10 0.00 0.00 34.13 33.70 1sou s GLU 103 CO 0.59 0.12 0.00 0.41 0.02 0.00 0.00 175.26 176.39 1sou n GLY 104 N 0.92 0.38 2.88 -1.39 0.00 -1.26 -4.91 105.19 101.81 1sou n GLY 104 Ca -0.19 -1.42 -0.13 0.00 0.00 0.00 0.00 46.02 44.28 1sou n GLY 104 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1sou s GLU 105 N -2.00 0.04 -0.03 1.61 2.12 -1.22 -5.00 118.70 114.22 1sou s GLU 105 Ca 0.00 0.16 -0.30 0.00 0.36 0.00 0.00 54.97 55.19 1sou s GLU 105 Cb 0.00 -0.08 -0.03 0.00 0.26 0.00 0.00 34.13 34.28 1sou s GLU 105 CO 0.00 -0.08 1.11 0.50 -0.54 0.00 0.00 175.26 176.25 1sou s ARG 106 N 0.50 4.43 0.23 4.30 3.52 -1.26 -1.74 118.95 128.94 1sou s ARG 106 Ca -0.04 1.57 0.08 0.00 -0.13 0.00 0.00 55.73 57.22 1sou s ARG 106 Cb -0.06 -3.49 -0.05 0.00 -1.56 0.00 0.00 34.95 29.79 1sou s ARG 106 CO -0.02 -0.30 -0.14 0.08 -0.81 0.00 0.00 175.30 174.12 1sou s VAL 107 N 1.70 1.86 0.39 7.11 1.01 0.43 -4.98 120.40 127.92 1sou s VAL 107 Ca 0.54 -2.23 -0.24 0.00 0.00 0.00 0.00 61.98 60.05 1sou s VAL 107 Cb -0.23 -2.17 -0.09 0.00 0.00 0.00 0.00 36.38 33.88 1sou s VAL 107 CO 0.24 -0.50 1.03 0.21 0.00 0.00 0.00 175.10 176.08 1sou s ASN 108 N -3.38 6.84 0.48 3.32 3.84 -1.26 -4.34 114.94 120.44 1sou s ASN 108 Ca 0.25 2.00 0.23 0.00 0.21 0.00 0.00 52.86 55.55 1sou s ASN 108 Cb -0.01 -2.58 1.23 0.00 -0.55 0.00 0.00 41.25 39.34 1sou s ASN 108 CO 0.09 -0.43 1.65 -0.65 -2.79 0.00 0.00 177.10 174.97 1sou h PRO 109 N 2.56 0.00 0.00 0.43 0.11 -1.96 0.44 132.00 133.58 1sou h PRO 109 Ca -0.48 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.59 1sou h PRO 109 Cb 1.21 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 1sou h PRO 109 CO 0.63 0.00 -0.16 1.49 -0.21 0.00 0.00 178.00 179.74 1sou h GLU 110 N 0.00 0.00 0.00 1.05 4.81 -1.91 -2.48 114.58 116.04 1sou h GLU 110 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1sou h GLU 110 Cb 0.51 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.89 1sou h GLU 110 CO 0.00 0.16 -0.18 -3.47 -0.73 0.00 0.00 179.01 174.79 1sou n ASP 111 N -4.31 0.22 -4.55 1.04 2.03 0.14 -4.64 116.55 106.49 1sou n ASP 111 Ca -0.02 0.25 -0.41 0.00 0.52 0.00 0.00 54.79 55.12 1sou n ASP 111 Cb 0.23 -0.25 -0.03 0.00 -0.72 0.00 0.00 41.12 40.35 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 -3.01 3.85 0.08 5.18 1.01 -0.94 -4.80 120.40 121.77 1sou s VAL 112 Ca 0.13 -0.16 0.02 0.00 0.00 0.00 0.00 61.98 61.97 1sou s VAL 112 Cb 0.18 -4.97 -0.25 0.00 0.00 0.00 0.00 36.38 31.35 1sou s VAL 112 CO 0.59 -1.87 1.13 -0.78 0.00 0.00 0.00 175.10 174.18 1sou h ASP 113 N 9.88 0.19 -3.80 3.32 3.58 -1.82 -1.91 116.42 125.86 1sou h ASP 113 Ca -0.07 -0.22 -0.30 0.00 0.42 0.00 0.00 57.03 56.86 1sou h ASP 113 Cb 1.03 -0.06 -0.29 0.00 1.72 0.00 0.00 39.33 41.73 1sou h ASP 113 CO 1.33 1.18 -0.74 0.12 -2.88 0.00 0.00 179.24 178.25 1sou s PHE 114 N -2.67 0.30 -0.09 0.28 2.19 -0.70 -0.40 117.98 116.89 1sou s PHE 114 Ca -0.02 -0.05 -0.09 0.00 0.33 0.00 0.00 56.93 57.10 1sou s PHE 114 Cb 0.08 -0.21 0.02 0.00 -1.31 0.00 0.00 43.02 41.60 1sou s PHE 114 CO 0.85 -0.02 0.25 -1.50 1.83 0.00 0.00 175.22 176.62 1sou s ILE 115 N 0.05 0.00 -0.23 3.12 2.07 -0.93 -0.37 121.20 124.91 1sou s ILE 115 Ca -0.00 -0.03 0.02 0.00 -1.41 0.00 0.00 60.65 59.22 1sou s ILE 115 Cb -0.03 -0.36 0.05 0.00 0.13 0.00 0.00 42.46 42.25 1sou s ILE 115 CO -0.00 -0.02 -0.11 0.00 -1.91 0.00 0.00 174.94 172.90 1sou s ALA 116 N 0.05 2.29 -0.08 1.50 0.00 0.46 -0.40 121.76 125.57 1sou s ALA 116 Ca -0.01 -1.49 0.02 0.00 0.00 0.00 0.00 51.96 50.49 1sou s ALA 116 Cb -0.02 -1.43 0.01 0.00 0.00 0.00 0.00 23.12 21.68 1sou s ALA 116 CO 0.00 -1.00 -0.15 0.14 0.00 0.00 0.00 175.76 174.75 1sou s VAL 117 N 1.25 1.39 -0.46 0.00 -7.23 -0.05 -2.32 120.40 112.98 1sou s VAL 117 Ca -0.05 -0.61 -0.29 0.00 -1.81 0.00 0.00 61.98 59.22 1sou s VAL 117 Cb -0.18 -1.25 0.01 0.00 0.56 0.00 0.00 36.38 35.52 1sou s VAL 117 CO -0.07 0.41 1.36 -2.16 -0.31 0.00 0.00 175.10 174.33 1sou s PRO 118 N 0.71 3.53 0.19 4.82 0.04 -1.26 -0.99 135.00 142.04 1sou s PRO 118 Ca -0.13 0.74 0.05 0.00 0.04 0.00 0.00 61.00 61.69 1sou s PRO 118 Cb -0.16 -4.03 -0.03 0.00 0.04 0.00 0.00 34.50 30.32 1sou s PRO 118 CO 0.03 -1.62 0.25 0.20 0.04 0.00 0.00 177.00 175.89 1sou s GLY 119 N 3.76 1.54 -0.46 0.56 0.00 -1.22 -4.94 107.32 106.57 1sou s GLY 119 Ca 0.56 -1.20 -0.23 0.00 0.00 0.00 0.00 44.72 43.86 1sou s GLY 119 CO 0.31 -1.21 0.78 0.14 0.00 0.00 0.00 173.10 173.12 1sou s VAL 120 N -1.87 4.65 0.26 1.40 1.01 -1.26 -4.85 120.40 119.74 1sou s VAL 120 Ca 0.33 0.34 0.00 0.00 0.00 0.00 0.00 61.98 62.65 1sou s VAL 120 Cb -0.10 -4.33 0.00 0.00 0.00 0.00 0.00 36.38 31.95 1sou s VAL 120 CO 0.27 -0.75 0.00 0.00 0.00 0.00 0.00 175.10 174.61 1sou n ALA 121 N 6.73 -2.15 -2.88 5.51 0.00 -1.26 -2.07 120.51 124.38 1sou n ALA 121 Ca 0.01 0.27 -0.12 0.00 0.00 0.00 0.00 53.44 53.61 1sou n ALA 121 Cb 0.48 -1.04 -0.12 0.00 0.00 0.00 0.00 19.45 18.76 1sou n ALA 121 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1sou s PHE 122 N -2.15 0.36 0.14 0.00 0.08 -0.16 -3.25 117.98 113.00 1sou s PHE 122 Ca 0.00 -0.33 0.02 0.00 0.12 0.00 0.00 56.93 56.74 1sou s PHE 122 Cb 0.00 -0.23 0.02 0.00 -0.57 0.00 0.00 43.02 42.24 1sou s PHE 122 CO 0.00 -0.09 0.16 -0.40 -0.10 0.00 0.00 175.22 174.80 1sou n ASP 123 N 2.12 0.82 0.00 1.36 5.68 -1.05 -0.71 116.55 124.75 1sou n ASP 123 Ca -0.19 -1.41 0.15 0.00 -0.50 0.00 0.00 54.79 52.84 1sou n ASP 123 Cb 0.57 -0.07 0.80 0.00 -1.14 0.00 0.00 41.12 41.27 1sou n ASP 123 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1sou n LEU 124 N 0.00 0.00 -0.09 -2.12 4.77 -0.60 -3.56 117.00 115.40 1sou n LEU 124 Ca 0.03 0.20 -0.12 0.00 -0.03 0.00 0.00 56.01 56.08 1sou n LEU 124 Cb 0.15 -0.20 -0.09 0.00 -2.33 0.00 0.00 43.42 40.95 1sou n LEU 124 CO 0.09 -0.01 -1.09 1.21 -1.33 0.00 0.00 177.39 176.27 1sou n GLU 125 N -1.20 0.68 0.00 3.23 2.13 -1.26 -5.01 120.64 119.22 1sou n GLU 125 Ca 0.17 0.09 0.00 0.00 0.66 0.00 0.00 57.16 58.07 1sou n GLU 125 Cb 0.20 -1.38 0.00 0.00 0.27 0.00 0.00 31.44 30.53 1sou n GLU 125 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1sou n GLY 126 N 2.51 -0.06 3.95 8.31 0.00 -1.23 -4.93 105.19 113.73 1sou n GLY 126 Ca -0.31 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.64 2.98 -0.19 1.61 1.51 -1.26 -0.89 117.35 120.47 1sou s TYR 127 Ca 0.00 0.21 -0.14 0.00 -1.01 0.00 0.00 57.07 56.13 1sou s TYR 127 Cb 0.00 -2.78 0.06 0.00 -0.11 0.00 0.00 41.96 39.13 1sou s TYR 127 CO 0.00 -0.91 0.49 0.50 -1.11 0.00 0.00 175.55 174.52 1sou s ARG 128 N -4.87 0.52 0.04 -0.62 3.52 -1.26 -2.54 118.95 113.74 1sou s ARG 128 Ca 0.56 0.79 -0.20 0.00 -0.13 0.00 0.00 55.73 56.75 1sou s ARG 128 Cb -0.10 0.15 -0.11 0.00 -1.56 0.00 0.00 34.95 33.33 1sou s ARG 128 CO 0.41 -0.11 1.30 1.25 -0.81 0.00 0.00 175.30 177.33 1sou h LEU 129 N 6.20 -0.65 0.00 -0.88 5.85 -1.39 -3.43 115.31 121.01 1sou h LEU 129 Ca -0.31 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.44 1sou h LEU 129 Cb 1.19 0.18 0.00 0.00 0.37 0.00 0.00 40.66 42.40 1sou h LEU 129 CO 0.23 -0.41 0.00 0.61 -0.34 0.00 0.00 178.44 178.52 1sou n GLY 130 N -1.34 1.64 0.05 3.75 0.00 -1.13 -4.77 105.19 103.39 1sou n GLY 130 Ca -0.08 -2.07 -0.03 0.00 0.00 0.00 0.00 46.02 43.84 1sou n GLY 130 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1sou h PHE 131 N 0.00 0.00 0.00 1.61 3.57 -1.93 -3.42 116.94 116.77 1sou h PHE 131 Ca 0.00 0.00 -0.20 0.00 3.53 0.00 0.00 57.97 61.30 1sou h PHE 131 Cb 0.00 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 38.71 1sou h PHE 131 CO 0.00 0.00 -1.19 0.41 -2.23 0.00 0.00 178.31 175.30 1sou n GLY 132 N 1.68 -0.84 1.32 2.40 0.00 -1.26 -5.10 105.19 103.39 1sou n GLY 132 Ca -0.05 0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1sou n GLY 132 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1sou n LYS 133 N -4.46 -1.77 -0.67 1.61 3.00 -1.26 -4.81 118.16 109.81 1sou n LYS 133 Ca -0.29 1.61 0.00 0.00 -0.00 0.00 0.00 58.31 59.63 1sou n LYS 133 Cb 0.61 -1.76 0.00 0.00 0.00 0.00 0.00 35.03 33.88 1sou n LYS 133 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1sou n GLY 134 N 0.61 0.59 0.00 3.14 0.00 -1.26 -4.91 105.19 103.36 1sou n GLY 134 Ca 0.00 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.31 1sou n GLY 134 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1sou n TYR 135 N -2.67 0.00 0.17 1.61 9.36 -1.26 -4.88 117.16 119.50 1sou n TYR 135 Ca 0.00 0.00 0.06 0.00 3.32 0.00 0.00 57.90 61.28 1sou n TYR 135 Cb 0.00 0.00 0.15 0.00 -0.63 0.00 0.00 39.34 38.86 1sou n TYR 135 CO 0.00 0.00 0.00 1.88 0.22 0.00 0.00 176.86 178.96 1sou h TYR 136 N 0.00 0.00 0.00 2.98 0.05 -1.95 -2.53 116.97 115.52 1sou h TYR 136 Ca 0.00 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.76 1sou h TYR 136 Cb 0.00 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 37.74 1sou h TYR 136 CO 0.00 0.34 -0.10 0.38 -1.05 0.00 0.00 178.16 177.73 1sou h ASP 137 N 0.00 0.00 0.68 3.88 2.03 -1.95 -0.54 116.42 120.52 1sou h ASP 137 Ca -0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1sou h ASP 137 Cb 1.16 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.66 1sou h ASP 137 CO 0.04 0.10 0.00 0.54 -1.03 0.00 0.00 179.24 178.89 1sou n ARG 138 N -3.36 0.16 -0.02 4.15 1.74 -0.95 -1.27 116.66 117.11 1sou n ARG 138 Ca -0.01 0.39 -0.22 0.00 -0.77 0.00 0.00 57.85 57.25 1sou n ARG 138 Cb 0.28 -1.80 -0.13 0.00 -1.02 0.00 0.00 32.46 29.78 1sou n ARG 138 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 1sou h LEU 139 N 0.00 0.31 -1.14 0.55 5.85 -1.24 -3.37 115.31 116.28 1sou h LEU 139 Ca 0.00 -0.83 0.07 0.00 0.84 0.00 0.00 57.88 57.96 1sou h LEU 139 Cb 0.34 -0.10 -0.06 0.00 0.37 0.00 0.00 40.66 41.21 1sou h LEU 139 CO 0.00 1.75 0.59 -0.07 -0.34 0.00 0.00 178.44 180.37 1sou h LEU 140 N -0.23 0.90 -1.76 2.25 3.38 -1.04 -0.15 115.31 118.66 1sou h LEU 140 Ca -0.40 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.55 1sou h LEU 140 Cb 1.83 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 42.39 1sou h LEU 140 CO 0.01 0.57 -0.16 0.50 0.09 0.00 0.00 178.44 179.44 1sou h LYS 141 N 1.01 0.00 0.00 1.13 3.64 -1.37 -2.34 116.57 118.65 1sou h LYS 141 Ca 0.40 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.78 1sou h LYS 141 Cb 0.24 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.06 1sou h LYS 141 CO -0.16 0.16 -0.72 0.00 -2.27 0.00 0.00 179.45 176.46 1sou h ARG 142 N 0.00 0.00 -6.19 1.90 3.08 -1.21 -3.44 114.38 108.52 1sou h ARG 142 Ca -0.00 0.00 -0.56 0.00 0.07 0.00 0.00 59.98 59.49 1sou h ARG 142 Cb 0.36 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.41 1sou h ARG 142 CO 0.02 0.00 1.32 0.08 -1.07 0.00 0.00 179.97 180.33 1sou s VAL 143 N -3.27 3.15 -1.60 2.04 1.01 -0.73 -4.55 120.40 116.44 1sou s VAL 143 Ca 0.03 0.17 0.26 0.00 0.00 0.00 0.00 61.98 62.43 1sou s VAL 143 Cb 0.10 -3.15 0.21 0.00 0.00 0.00 0.00 36.38 33.54 1sou s VAL 143 CO 0.75 -0.06 1.52 1.17 0.00 0.00 0.00 175.10 178.48 1sou n LYS 144 N 8.09 0.67 -0.35 2.72 3.00 -1.22 -4.88 118.16 126.19 1sou n LYS 144 Ca 0.24 -0.40 0.00 0.00 -0.00 0.00 0.00 58.31 58.15 1sou n LYS 144 Cb 0.44 -1.49 0.00 0.00 0.00 0.00 0.00 35.03 33.97 1sou n LYS 144 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1sou n GLY 145 N 1.38 0.29 3.60 3.14 0.00 -0.72 -4.99 105.19 107.88 1sou n GLY 145 Ca 0.11 -1.86 -0.43 0.00 0.00 0.00 0.00 46.02 43.84 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 3.59 -0.64 0.99 2.01 0.46 -4.92 118.68 120.17 1sou s LEU 146 Ca 0.00 0.61 -0.26 0.00 0.01 0.00 0.00 54.13 54.49 1sou s LEU 146 Cb 0.00 -3.50 0.04 0.00 0.01 0.00 0.00 46.19 42.74 1sou s LEU 146 CO 0.00 -1.38 1.13 -0.54 1.01 0.00 0.00 176.35 176.57 1sou s LYS 147 N 4.78 3.31 -0.26 1.70 1.02 -1.26 -2.20 119.74 126.83 1sou s LYS 147 Ca 0.54 -0.19 -0.12 0.00 0.02 0.00 0.00 55.97 56.22 1sou s LYS 147 Cb -0.10 -4.11 -0.05 0.00 -0.52 0.00 0.00 37.83 33.05 1sou s LYS 147 CO 0.32 -1.81 0.22 0.08 -0.92 0.00 0.00 175.35 173.23 1sou s VAL 148 N 4.84 5.30 -0.11 3.17 1.01 0.46 -0.41 120.40 134.67 1sou s VAL 148 Ca 0.34 0.26 -0.15 0.00 0.00 0.00 0.00 61.98 62.44 1sou s VAL 148 Cb -0.10 -3.55 -0.05 0.00 0.00 0.00 0.00 36.38 32.68 1sou s VAL 148 CO 0.18 0.28 0.35 -0.83 0.00 0.00 0.00 175.10 175.08 1sou s GLY 149 N 1.42 2.32 -0.24 4.51 0.00 0.46 -0.87 107.32 114.91 1sou s GLY 149 Ca 0.09 -0.34 -0.06 0.00 0.00 0.00 0.00 44.72 44.40 1sou s GLY 149 CO 0.08 0.38 0.04 0.14 0.00 0.00 0.00 173.10 173.74 1sou s VAL 150 N 0.00 4.07 0.04 1.40 1.01 -0.17 -0.64 120.40 126.11 1sou s VAL 150 Ca 0.20 -0.25 -0.11 0.00 0.00 0.00 0.00 61.98 61.82 1sou s VAL 150 Cb -0.14 -2.89 0.01 0.00 0.00 0.00 0.00 36.38 33.36 1sou s VAL 150 CO 0.08 0.36 0.24 0.00 0.00 0.00 0.00 175.10 175.78 1sou s ALA 151 N 1.57 -0.49 0.58 5.51 0.00 -1.04 -3.39 121.76 124.50 1sou s ALA 151 Ca 0.06 -0.16 -0.09 0.00 0.00 0.00 0.00 51.96 51.77 1sou s ALA 151 Cb -0.15 0.29 -0.03 0.00 0.00 0.00 0.00 23.12 23.23 1sou s ALA 151 CO 0.02 -0.38 0.95 0.71 0.00 0.00 0.00 175.76 177.06 1sou s TYR 152 N -2.53 3.54 0.56 0.00 2.02 -1.26 -4.19 117.35 115.49 1sou s TYR 152 Ca -0.05 1.05 0.27 0.00 -0.37 0.00 0.00 57.07 57.96 1sou s TYR 152 Cb -0.01 -2.62 1.50 0.00 -0.40 0.00 0.00 41.96 40.43 1sou s TYR 152 CO -0.04 -0.62 2.03 0.77 -1.57 0.00 0.00 175.55 176.12 1sou h SER 153 N -0.16 0.00 0.71 2.29 0.02 -1.97 -0.35 113.55 114.08 1sou h SER 153 Ca -0.45 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.50 1sou h SER 153 Cb 1.21 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.75 1sou h SER 153 CO 0.62 0.00 0.00 -0.26 -1.14 0.00 0.00 176.83 176.05 1sou h PHE 154 N 0.00 0.00 -0.01 3.45 0.04 -2.01 -2.71 116.94 115.69 1sou h PHE 154 Ca 0.17 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.94 1sou h PHE 154 Cb 0.78 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.93 1sou h PHE 154 CO 0.00 0.00 -0.60 1.04 -0.60 0.00 0.00 178.31 178.15 1sou n GLN 155 N -2.42 0.87 -3.08 1.51 6.02 -0.14 -4.85 117.38 115.29 1sou n GLN 155 Ca 0.01 -0.71 -0.43 0.00 -0.01 0.00 0.00 57.00 55.86 1sou n GLN 155 Cb 0.22 -1.49 -0.06 0.00 1.02 0.00 0.00 30.24 29.94 1sou n GLN 155 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1sou s VAL 156 N -2.62 4.78 0.37 5.09 1.01 -1.03 -0.99 120.40 127.01 1sou s VAL 156 Ca 0.16 -0.02 0.02 0.00 0.00 0.00 0.00 61.98 62.14 1sou s VAL 156 Cb 0.18 -4.28 0.02 0.00 0.00 0.00 0.00 36.38 32.30 1sou s VAL 156 CO 0.65 -0.72 0.17 0.49 0.00 0.00 0.00 175.10 175.69 1sou n PHE 157 N 6.41 -0.22 -0.02 5.22 3.72 0.11 -5.00 117.46 127.67 1sou n PHE 157 Ca -0.02 -1.64 -0.01 0.00 -0.05 0.00 0.00 57.45 55.72 1sou n PHE 157 Cb 0.47 -0.28 -0.00 0.00 -0.94 0.00 0.00 39.48 38.73 1sou n PHE 157 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 1sou n GLU 158 N -1.18 0.14 -3.97 -1.08 1.02 -1.26 -2.76 120.64 111.54 1sou n GLU 158 Ca -0.07 0.31 -0.30 0.00 -0.02 0.00 0.00 57.16 57.09 1sou n GLU 158 Cb 0.43 -1.02 -0.16 0.00 -0.02 0.00 0.00 31.44 30.68 1sou n GLU 158 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1sou s ARG 159 N -1.39 1.91 -0.05 3.49 3.00 -1.26 -1.55 118.95 123.10 1sou s ARG 159 Ca -0.05 -0.75 -0.04 0.00 0.00 0.00 0.00 55.73 54.89 1sou s ARG 159 Cb 0.01 -2.31 -0.04 0.00 0.00 0.00 0.00 34.95 32.61 1sou s ARG 159 CO 0.07 -0.42 0.14 -0.51 0.00 0.00 0.00 175.30 174.58 1sou s LEU 160 N 1.45 4.25 -0.60 2.53 1.43 -1.26 -5.04 118.68 121.44 1sou s LEU 160 Ca -0.00 0.34 -0.27 0.00 -1.03 0.00 0.00 54.13 53.17 1sou s LEU 160 Cb -0.16 -2.32 -0.01 0.00 0.03 0.00 0.00 46.19 43.73 1sou s LEU 160 CO -0.08 0.32 1.71 -2.84 0.23 0.00 0.00 176.35 175.69 1sou s PRO 161 N -1.53 2.86 0.52 1.29 0.02 -1.26 -4.97 135.00 131.93 1sou s PRO 161 Ca 0.22 0.54 0.06 0.00 0.02 0.00 0.00 61.00 61.83 1sou s PRO 161 Cb -0.12 -4.31 0.03 0.00 0.02 0.00 0.00 34.50 30.12 1sou s PRO 161 CO 0.12 -2.47 0.39 -0.98 -0.33 0.00 0.00 177.00 173.73 1sou s ARG 162 N 6.53 2.28 0.41 5.54 1.70 -1.26 -4.99 118.95 129.17 1sou s ARG 162 Ca 0.62 -1.96 0.06 0.00 -0.47 0.00 0.00 55.73 53.98 1sou s ARG 162 Cb -0.13 -2.12 0.01 0.00 -0.57 0.00 0.00 34.95 32.14 1sou s ARG 162 CO 0.22 -0.54 0.57 0.34 -1.08 0.00 0.00 175.30 174.81 1sou s ASP 163 N -4.24 5.71 0.21 -2.89 -1.08 -1.26 -5.01 116.67 108.11 1sou s ASP 163 Ca 0.36 -0.26 0.04 0.00 -0.52 0.00 0.00 52.55 52.17 1sou s ASP 163 Cb -0.02 -0.90 0.15 0.00 -1.46 0.00 0.00 42.92 40.69 1sou s ASP 163 CO 0.22 -0.71 1.49 0.00 0.52 0.00 0.00 175.17 176.69 1sou h ALA 164 N 0.62 0.73 -1.73 3.66 0.00 -2.03 -3.28 119.26 117.23 1sou h ALA 164 Ca -0.42 -0.61 -0.78 0.00 0.00 0.00 0.00 54.91 53.09 1sou h ALA 164 Cb 1.27 -0.08 -0.29 0.00 0.00 0.00 0.00 17.79 18.69 1sou h ALA 164 CO 0.49 0.80 0.71 0.91 0.00 0.00 0.00 179.25 182.16 1sou n TRP 165 N -3.79 2.59 -3.85 0.00 8.01 -1.26 -5.01 117.44 114.14 1sou n TRP 165 Ca -0.03 -2.74 -0.21 0.00 -1.31 0.00 0.00 57.50 53.21 1sou n TRP 165 Cb 0.69 -1.15 -0.03 0.00 -2.01 0.00 0.00 31.31 28.81 1sou n TRP 165 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.69 177.02 1sou s ASP 166 N -1.78 5.68 -0.16 -0.99 -1.08 -1.24 -4.72 116.67 112.39 1sou s ASP 166 Ca 0.35 -0.26 -0.04 0.00 -0.52 0.00 0.00 52.55 52.08 1sou s ASP 166 Cb 0.11 -1.30 0.06 0.00 -1.46 0.00 0.00 42.92 40.33 1sou s ASP 166 CO 0.01 -0.23 0.07 -0.51 0.52 0.00 0.00 175.17 175.03 1sou s ILE 167 N -2.17 0.02 0.94 4.11 1.10 -1.26 -5.08 121.20 118.85 1sou s ILE 167 Ca 0.38 -0.14 -0.14 0.00 -0.51 0.00 0.00 60.65 60.24 1sou s ILE 167 Cb -0.08 -0.59 0.16 0.00 0.15 0.00 0.00 42.46 42.10 1sou s ILE 167 CO 0.28 -0.20 1.21 -2.16 -2.11 0.00 0.00 174.94 171.95 1sou s PRO 168 N 2.09 0.90 0.13 3.50 0.04 -1.26 -4.37 135.00 136.04 1sou s PRO 168 Ca 0.02 -0.03 0.07 0.00 0.04 0.00 0.00 61.00 61.10 1sou s PRO 168 Cb -0.16 -1.84 -0.04 0.00 0.04 0.00 0.00 34.50 32.50 1sou s PRO 168 CO -0.08 -2.30 -0.06 0.14 0.04 0.00 0.00 177.00 174.74 1sou s VAL 169 N -3.52 3.50 0.10 -0.36 -7.23 -0.07 -4.98 120.40 107.85 1sou s VAL 169 Ca 0.68 -1.35 0.07 0.00 -1.81 0.00 0.00 61.98 59.57 1sou s VAL 169 Cb -0.10 -2.69 -0.21 0.00 0.56 0.00 0.00 36.38 33.94 1sou s VAL 169 CO 0.52 0.01 1.21 0.44 -0.31 0.00 0.00 175.10 176.98 1sou h ASP 170 N 3.22 0.01 -3.61 4.85 3.32 -1.08 -3.45 116.42 119.69 1sou h ASP 170 Ca -0.48 -0.01 -0.24 0.00 0.02 0.00 0.00 57.03 56.32 1sou h ASP 170 Cb 1.18 -0.00 -0.30 0.00 0.22 0.00 0.00 39.33 40.43 1sou h ASP 170 CO 0.55 1.01 -0.64 -0.69 -1.72 0.00 0.00 179.24 177.75 1sou s VAL 171 N -2.70 -0.03 -0.22 -1.35 1.01 -1.04 -0.50 120.40 115.57 1sou s VAL 171 Ca 0.00 0.10 -0.02 0.00 0.00 0.00 0.00 61.98 62.06 1sou s VAL 171 Cb 0.10 -0.15 0.01 0.00 0.00 0.00 0.00 36.38 36.33 1sou s VAL 171 CO 0.82 0.04 -0.07 -0.22 0.00 0.00 0.00 175.10 175.67 1sou s LEU 172 N 0.59 2.88 -0.21 3.92 2.96 -0.07 -0.41 118.68 128.34 1sou s LEU 172 Ca -0.05 -0.60 -0.05 0.00 -0.22 0.00 0.00 54.13 53.22 1sou s LEU 172 Cb -0.06 -1.67 -0.02 0.00 0.50 0.00 0.00 46.19 44.93 1sou s LEU 172 CO -0.02 -0.06 -0.01 -0.69 -1.32 0.00 0.00 176.35 174.25 1sou s VAL 173 N 1.40 3.83 0.00 1.68 1.01 0.19 -0.42 120.40 128.08 1sou s VAL 173 Ca 0.04 -0.35 0.00 0.00 0.00 0.00 0.00 61.98 61.67 1sou s VAL 173 Cb -0.15 -2.74 0.00 0.00 0.00 0.00 0.00 36.38 33.49 1sou s VAL 173 CO -0.05 0.42 0.00 0.35 0.00 0.00 0.00 175.10 175.82 1sou n THR 174 N 4.43 0.00 0.23 3.92 -2.24 -0.78 -2.50 114.28 117.34 1sou n THR 174 Ca -0.17 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.72 1sou n THR 174 Cb 0.52 -0.58 0.44 0.00 -2.10 0.00 0.00 70.33 68.61 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 -1.89 -3.41 114.58 112.61 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 0.15 0.00 1.63 0.07 0.00 0.00 179.01 180.86 1sou n LYS 176 N -3.25 0.00 -3.71 1.06 5.02 -1.26 -4.58 118.16 111.43 1sou n LYS 176 Ca 0.01 0.00 -0.37 0.00 -2.02 0.00 0.00 58.31 55.93 1sou n LYS 176 Cb 0.44 -0.39 -0.06 0.00 -0.02 0.00 0.00 35.03 35.00 1sou n LYS 176 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1sou s ASN 177 N -5.77 6.57 -0.42 4.39 2.20 -1.26 -5.06 114.94 115.58 1sou s ASN 177 Ca 0.00 0.67 -0.07 0.00 -0.94 0.00 0.00 52.86 52.53 1sou s ASN 177 Cb 0.00 -2.14 0.10 0.00 -2.00 0.00 0.00 41.25 37.21 1sou s ASN 177 CO 0.00 0.34 0.24 -0.69 -2.94 0.00 0.00 177.10 174.06 1sou s VAL 178 N -1.11 3.82 -0.69 3.54 1.01 -1.26 -1.86 120.40 123.84 1sou s VAL 178 Ca 0.21 -1.72 -0.24 0.00 0.00 0.00 0.00 61.98 60.23 1sou s VAL 178 Cb -0.14 -3.46 0.06 0.00 0.00 0.00 0.00 36.38 32.84 1sou s VAL 178 CO 0.10 -0.61 1.06 -0.13 0.00 0.00 0.00 175.10 175.52 1sou s ARG 179 N 1.30 3.14 -0.91 2.72 0.52 0.44 -4.94 118.95 121.21 1sou s ARG 179 Ca 0.05 -0.67 -0.24 0.00 -0.52 0.00 0.00 55.73 54.34 1sou s ARG 179 Cb -0.24 -4.23 0.01 0.00 0.52 0.00 0.00 34.95 31.02 1sou s ARG 179 CO -0.01 -1.92 1.59 1.03 0.02 0.00 0.00 175.30 176.02 1sou s ARG 180 N 4.54 3.16 0.00 3.54 1.81 -1.26 -0.89 118.95 129.85 1sou s ARG 180 Ca 0.26 -0.61 0.13 0.00 -1.72 0.00 0.00 55.73 53.79 1sou s ARG 180 Cb -0.14 -5.01 0.74 0.00 -0.45 0.00 0.00 34.95 30.08 1sou s ARG 180 CO 0.11 -2.56 1.48 1.28 -0.68 0.00 0.00 175.30 174.93 1sou n LEU 181 N 10.68 0.22 0.26 2.53 4.77 0.34 -2.14 117.00 133.67 1sou n LEU 181 Ca 0.29 -0.10 0.16 0.00 -0.03 0.00 0.00 56.01 56.33 1sou n LEU 181 Cb 0.50 -0.02 0.61 0.00 -2.33 0.00 0.00 43.42 42.17 1sou n LEU 181 CO 0.66 0.05 0.95 0.03 -1.33 0.00 0.00 177.39 177.74 1sou h ARG 182 N 0.28 0.00 -1.07 3.23 2.47 -1.80 -3.37 114.38 114.12 1sou h ARG 182 Ca 0.00 0.00 -0.16 0.00 -1.26 0.00 0.00 59.98 58.56 1sou h ARG 182 Cb 0.06 0.00 -0.17 0.00 -1.65 0.00 0.00 29.97 28.21 1sou h ARG 182 CO 0.00 0.04 -0.51 0.34 0.56 0.00 0.00 179.97 180.40 1sou s ASP 183 N -5.82 -1.31 -0.55 7.04 2.15 -0.91 -5.09 116.67 112.17 1sou s ASP 183 Ca 0.02 -1.73 0.05 0.00 0.43 0.00 0.00 52.55 51.31 1sou s ASP 183 Cb 0.09 1.79 0.17 0.00 -0.30 0.00 0.00 42.92 44.67 1sou s ASP 183 CO 0.57 -0.07 0.42 0.61 -0.17 0.00 0.00 175.17 176.54 1sou n GLY 184 N 3.05 3.06 0.39 2.66 0.00 -1.22 -4.79 105.19 108.35 1sou n GLY 184 Ca 0.18 -1.93 0.00 0.00 0.00 0.00 0.00 46.02 44.27 1sou n GLY 184 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1sou n ARG 185 N 2.37 0.00 0.13 1.61 0.63 -1.26 -4.87 116.66 115.27 1sou n ARG 185 Ca 0.25 -0.52 0.00 0.00 -0.92 0.00 0.00 57.85 56.67 1sou n ARG 185 Cb 0.42 -0.29 0.08 0.00 0.45 0.00 0.00 32.46 33.12 1sou n ARG 185 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 1sou h SER 186 N 0.00 0.00 0.23 6.15 4.64 -2.01 -3.35 113.55 119.21 1sou h SER 186 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 1sou h SER 186 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 1sou h SER 186 CO 0.00 0.63 -0.11 -0.07 -0.87 0.00 0.00 176.83 176.41 1sou h LEU 187 N 0.00 -0.26 -7.91 5.97 4.07 -1.99 -3.35 115.31 111.85 1sou h LEU 187 Ca -0.01 0.01 -0.68 0.00 0.08 0.00 0.00 57.88 57.28 1sou h LEU 187 Cb 1.33 0.07 -0.14 0.00 1.08 0.00 0.00 40.66 43.00 1sou h LEU 187 CO 0.08 -0.16 1.38 -0.70 -1.08 0.00 0.00 178.44 177.97 1sou s GLU 188 N -3.30 3.81 -0.41 1.13 2.12 -1.26 -4.94 118.70 115.85 1sou s GLU 188 Ca -0.05 -1.90 -0.13 0.00 0.36 0.00 0.00 54.97 53.25 1sou s GLU 188 Cb 0.00 -5.17 0.04 0.00 0.26 0.00 0.00 34.13 29.27 1sou s GLU 188 CO 0.14 -1.96 0.28 -3.38 -0.54 0.00 0.00 175.26 169.80 1sou s HIS 189 N 3.16 3.26 -1.82 5.30 -3.43 -1.26 -4.93 115.29 115.56 1sou s HIS 189 Ca 0.42 -0.93 0.06 0.00 -0.80 0.00 0.00 55.06 53.82 1sou s HIS 189 Cb -0.02 -2.71 0.18 0.00 -1.43 0.00 0.00 32.58 28.61 1sou s HIS 189 CO -0.04 -0.69 1.10 1.58 -2.00 0.00 0.00 174.74 174.69 1sou n HIS 190 N 5.08 0.31 -4.22 0.38 -0.00 -1.26 -4.77 115.22 110.73 1sou n HIS 190 Ca -0.11 -0.14 -0.23 0.00 0.46 0.00 0.00 57.72 57.69 1sou n HIS 190 Cb 0.45 -0.03 -0.07 0.00 -0.12 0.00 0.00 29.99 30.22 1sou n HIS 190 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 1sou s HIS 191 N -1.69 2.74 -0.10 1.57 3.76 -1.26 -5.08 115.29 115.22 1sou s HIS 191 Ca 0.14 -0.26 -0.05 0.00 -0.15 0.00 0.00 55.06 54.73 1sou s HIS 191 Cb 0.08 -1.35 -0.02 0.00 1.11 0.00 0.00 32.58 32.40 1sou s HIS 191 CO 0.08 0.53 -0.10 0.45 -0.85 0.00 0.00 174.74 174.85 1sou h HIS 192 N 1.75 0.00 -2.16 1.40 3.86 -2.06 -3.51 115.15 114.43 1sou h HIS 192 Ca -0.44 0.00 0.26 0.00 -1.16 0.00 0.00 60.37 59.03 1sou h HIS 192 Cb 1.25 0.00 -0.07 0.00 1.06 0.00 0.00 27.41 29.65 1sou h HIS 192 CO 0.65 0.00 0.74 -3.38 0.86 0.00 0.00 177.93 176.81 1sou s HIS 193 N -1.83 0.02 0.00 2.45 -3.43 -1.26 -5.18 115.29 106.06 1sou s HIS 193 Ca -0.09 -0.25 0.00 0.00 -0.80 0.00 0.00 55.06 53.93 1sou s HIS 193 Cb 0.01 0.61 0.00 0.00 -1.43 0.00 0.00 32.58 31.78 1sou s HIS 193 CO 0.13 -0.55 0.10 1.58 -2.00 0.00 0.00 174.74 173.99