#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 5.58 0.19 3.17 4.32 -1.26 -4.77 117.00 124.23 1sou n LEU 2 Ca 0.00 -4.34 0.04 0.00 -0.02 0.00 0.00 56.01 51.69 1sou n LEU 2 Cb 0.00 -1.63 0.38 0.00 -1.62 0.00 0.00 43.42 40.55 1sou n LEU 2 CO 0.00 0.75 0.72 0.07 -1.22 0.00 0.00 177.39 177.71 1sou h LYS 3 N 6.86 0.00 0.11 3.23 2.10 -1.99 0.33 116.57 127.22 1sou h LYS 3 Ca 0.39 0.00 -0.27 0.00 -2.00 0.00 0.00 60.65 58.77 1sou h LYS 3 Cb 0.80 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 32.14 1sou h LYS 3 CO 1.43 0.37 -1.20 1.03 -2.00 0.00 0.00 179.45 179.08 1sou h SER 4 N 0.00 0.53 -0.34 7.07 0.87 -1.98 -2.17 113.55 117.53 1sou h SER 4 Ca -0.00 -0.53 -0.15 0.00 -1.23 0.00 0.00 61.79 59.88 1sou h SER 4 Cb 0.73 -0.17 -0.00 0.00 -0.44 0.00 0.00 62.40 62.51 1sou h SER 4 CO 0.05 1.38 -0.36 -0.08 -0.53 0.00 0.00 176.83 177.29 1sou h GLU 5 N 0.13 0.85 -0.21 2.24 4.57 -1.90 -1.47 114.58 118.79 1sou h GLU 5 Ca -0.14 -0.46 0.03 0.00 -1.18 0.00 0.00 59.36 57.61 1sou h GLU 5 Cb 1.89 0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 30.48 1sou h GLU 5 CO 0.21 1.10 0.04 1.25 -1.18 0.00 0.00 179.01 180.43 1sou h LEU 6 N 0.64 0.01 -0.63 1.64 5.85 -0.96 0.47 115.31 122.34 1sou h LEU 6 Ca 0.05 0.03 0.07 0.00 0.84 0.00 0.00 57.88 58.87 1sou h LEU 6 Cb 0.95 0.04 -0.06 0.00 0.37 0.00 0.00 40.66 41.97 1sou h LEU 6 CO 0.09 0.04 0.32 -0.09 -0.34 0.00 0.00 178.44 178.46 1sou h ARG 7 N 0.13 0.57 -0.30 1.25 2.43 -1.34 -2.53 114.38 114.59 1sou h ARG 7 Ca 0.09 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.23 1sou h ARG 7 Cb 0.09 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.50 1sou h ARG 7 CO -0.12 0.37 0.18 -0.22 -1.51 0.00 0.00 179.97 178.67 1sou h LYS 8 N 0.58 0.40 -0.63 0.20 3.64 -0.56 -0.06 116.57 120.14 1sou h LYS 8 Ca 0.29 -0.04 0.02 0.00 -1.27 0.00 0.00 60.65 59.66 1sou h LYS 8 Cb 0.24 -0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 31.93 1sou h LYS 8 CO -0.21 0.31 0.39 0.87 -2.27 0.00 0.00 179.45 178.54 1sou h LYS 9 N 0.38 0.76 -0.18 1.90 1.57 -0.62 0.16 116.57 120.54 1sou h LYS 9 Ca 0.11 -0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 58.80 1sou h LYS 9 Cb 0.01 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.14 1sou h LYS 9 CO -0.02 0.50 -0.06 0.28 -0.57 0.00 0.00 179.45 179.58 1sou h VAL 10 N 0.78 1.30 -0.94 0.50 2.07 -1.30 -3.11 116.25 115.54 1sou h VAL 10 Ca 0.25 -1.06 0.06 0.00 0.82 0.00 0.00 66.70 66.77 1sou h VAL 10 Cb -0.01 1.62 -0.06 0.00 -1.52 0.00 0.00 31.29 31.32 1sou h VAL 10 CO -0.09 0.32 0.60 0.25 0.02 0.00 0.00 177.57 178.66 1sou h LEU 11 N 0.06 0.95 -0.21 2.57 5.85 -0.63 0.40 115.31 124.31 1sou h LEU 11 Ca 0.04 0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.78 1sou h LEU 11 Cb 0.51 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.34 1sou h LEU 11 CO 0.02 0.61 0.12 -0.74 -0.34 0.00 0.00 178.44 178.12 1sou h HIS 12 N 1.09 0.23 0.01 1.25 2.76 -0.93 -2.86 115.15 116.71 1sou h HIS 12 Ca 0.40 0.01 -0.20 0.00 -2.20 0.00 0.00 60.37 58.38 1sou h HIS 12 Cb 0.15 -0.07 -0.03 0.00 1.55 0.00 0.00 27.41 29.01 1sou h HIS 12 CO -0.01 0.14 -0.96 0.87 -1.30 0.00 0.00 177.93 176.67 1sou h LYS 13 N 0.25 0.02 -0.41 5.26 1.57 -1.42 -3.19 116.57 118.65 1sou h LYS 13 Ca 0.08 -0.03 0.04 0.00 -1.87 0.00 0.00 60.65 58.87 1sou h LYS 13 Cb -0.01 0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.27 1sou h LYS 13 CO -0.03 0.96 0.18 -0.09 -0.57 0.00 0.00 179.45 179.89 1sou h ARG 14 N 0.01 0.35 -0.14 3.15 2.43 -0.71 -1.66 114.38 117.81 1sou h ARG 14 Ca -0.02 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 1sou h ARG 14 Cb 1.68 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 31.15 1sou h ARG 14 CO 0.13 0.23 0.00 0.44 -1.51 0.00 0.00 179.97 179.26 1sou n ILE 15 N -4.96 0.18 0.64 1.20 -5.35 -1.10 -3.65 119.36 106.31 1sou n ILE 15 Ca 0.02 -0.36 0.11 0.00 -0.27 0.00 0.00 62.75 62.25 1sou n ILE 15 Cb 0.13 0.48 0.13 0.00 -1.74 0.00 0.00 39.64 38.64 1sou n ILE 15 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 1sou n ASN 16 N 0.41 3.02 -4.76 7.28 5.15 -0.64 -4.94 115.26 120.78 1sou n ASN 16 Ca 0.17 -1.92 -0.41 0.00 -0.60 0.00 0.00 54.58 51.82 1sou n ASN 16 Cb 0.36 -0.10 -0.02 0.00 -0.53 0.00 0.00 39.78 39.50 1sou n ASN 16 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1sou s LEU 17 N -1.64 4.42 0.66 1.20 1.43 -1.12 -4.99 118.68 118.65 1sou s LEU 17 Ca 0.29 2.62 -0.14 0.00 -1.03 0.00 0.00 54.13 55.87 1sou s LEU 17 Cb 0.19 -3.64 0.00 0.00 0.03 0.00 0.00 46.19 42.78 1sou s LEU 17 CO 0.28 -0.55 1.09 -0.94 0.23 0.00 0.00 176.35 176.47 1sou s SER 18 N -0.21 5.18 0.10 2.29 1.04 -1.26 -4.81 113.70 116.03 1sou s SER 18 Ca 0.52 1.92 -0.34 0.00 0.48 0.00 0.00 55.95 58.53 1sou s SER 18 Cb -0.39 -2.54 -0.14 0.00 0.10 0.00 0.00 66.02 63.05 1sou s SER 18 CO 0.48 -1.58 1.58 -0.08 0.98 0.00 0.00 173.24 174.62 1sou h GLU 19 N -0.08 -0.78 -0.15 4.02 4.57 -1.99 0.34 114.58 120.51 1sou h GLU 19 Ca -0.46 0.05 0.01 0.00 -1.18 0.00 0.00 59.36 57.78 1sou h GLU 19 Cb 1.24 0.18 -0.01 0.00 -0.16 0.00 0.00 28.75 29.99 1sou h GLU 19 CO 0.55 -0.52 0.06 0.93 -1.18 0.00 0.00 179.01 178.84 1sou h GLU 20 N -0.81 0.14 -0.46 1.92 5.08 -1.99 -0.61 114.58 117.84 1sou h GLU 20 Ca -0.02 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.31 1sou h GLU 20 Cb 0.77 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.97 1sou h GLU 20 CO -0.17 0.09 0.19 1.49 -1.00 0.00 0.00 179.01 179.61 1sou h GLU 21 N 0.14 0.69 -0.33 2.33 4.81 -1.91 0.11 114.58 120.42 1sou h GLU 21 Ca 0.06 -0.13 -0.01 0.00 -0.13 0.00 0.00 59.36 59.16 1sou h GLU 21 Cb 0.02 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.28 1sou h GLU 21 CO -0.05 0.63 0.18 -0.09 -0.73 0.00 0.00 179.01 178.94 1sou h ARG 22 N 0.61 0.46 -0.20 1.92 2.43 -0.67 -2.00 114.38 116.93 1sou h ARG 22 Ca 0.15 -0.05 -0.12 0.00 -0.81 0.00 0.00 59.98 59.15 1sou h ARG 22 Cb 0.19 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.64 1sou h ARG 22 CO -0.01 0.39 -0.39 0.00 -1.51 0.00 0.00 179.97 178.44 1sou h ARG 23 N 0.41 0.46 -0.06 0.20 2.47 -0.90 0.14 114.38 117.09 1sou h ARG 23 Ca 0.12 -0.22 -0.07 0.00 -1.26 0.00 0.00 59.98 58.54 1sou h ARG 23 Cb 0.06 -0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.37 1sou h ARG 23 CO -0.02 0.78 -0.28 -0.09 0.56 0.00 0.00 179.97 180.92 1sou h ARG 24 N 0.38 0.11 0.20 0.04 2.43 -0.50 0.14 114.38 117.18 1sou h ARG 24 Ca 0.04 -0.04 -0.29 0.00 -0.81 0.00 0.00 59.98 58.88 1sou h ARG 24 Cb 0.86 -0.01 0.02 0.00 -0.42 0.00 0.00 29.97 30.42 1sou h ARG 24 CO 0.07 0.39 -1.32 -0.07 -1.51 0.00 0.00 179.97 177.52 1sou h LEU 25 N 0.10 0.65 -1.26 3.80 3.38 -1.09 -3.35 115.31 117.54 1sou h LEU 25 Ca 0.02 -0.93 -0.02 0.00 0.09 0.00 0.00 57.88 57.04 1sou h LEU 25 Cb 0.55 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.06 1sou h LEU 25 CO 0.04 1.62 0.29 -1.28 0.09 0.00 0.00 178.44 179.21 1sou h SER 26 N -0.06 0.72 -0.81 -0.43 0.87 -0.36 -2.18 113.55 111.29 1sou h SER 26 Ca -0.24 -0.06 0.05 0.00 -1.23 0.00 0.00 61.79 60.31 1sou h SER 26 Cb 1.96 -0.18 -0.06 0.00 -0.44 0.00 0.00 62.40 63.68 1sou h SER 26 CO 0.20 0.60 0.50 -0.08 -0.53 0.00 0.00 176.83 177.52 1sou h GLU 27 N 0.80 0.91 -0.20 2.24 4.57 -0.87 0.15 114.58 122.18 1sou h GLU 27 Ca 0.20 -0.05 -0.13 0.00 -1.18 0.00 0.00 59.36 58.20 1sou h GLU 27 Cb 0.06 -0.21 -0.01 0.00 -0.16 0.00 0.00 28.75 28.43 1sou h GLU 27 CO -0.03 0.60 -0.42 0.87 -1.18 0.00 0.00 179.01 178.86 1sou h LYS 28 N 0.94 0.47 -0.43 1.92 1.57 -1.55 -0.30 116.57 119.20 1sou h LYS 28 Ca 0.34 -0.24 -0.07 0.00 -1.87 0.00 0.00 60.65 58.81 1sou h LYS 28 Cb 0.12 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.42 1sou h LYS 28 CO -0.15 0.81 -0.01 0.28 -0.57 0.00 0.00 179.45 179.80 1sou h VAL 29 N 0.39 1.26 -0.49 0.50 2.07 -0.86 0.13 116.25 119.25 1sou h VAL 29 Ca 0.03 -1.05 -0.02 0.00 0.82 0.00 0.00 66.70 66.48 1sou h VAL 29 Cb 0.89 1.09 -0.02 0.00 -1.52 0.00 0.00 31.29 31.74 1sou h VAL 29 CO 0.08 0.36 0.22 0.40 0.02 0.00 0.00 177.57 178.65 1sou h ILE 30 N 0.60 1.20 -0.20 4.57 2.04 -0.60 -1.25 117.51 123.87 1sou h ILE 30 Ca 0.12 -0.57 -0.05 0.00 1.00 0.00 0.00 64.86 65.35 1sou h ILE 30 Cb 0.51 0.67 -0.01 0.00 -0.74 0.00 0.00 36.82 37.24 1sou h ILE 30 CO 0.02 0.22 -0.12 0.28 0.00 0.00 0.00 178.15 178.56 1sou h SER 31 N 0.64 0.30 0.36 1.72 0.02 -0.86 0.13 113.55 115.86 1sou h SER 31 Ca 0.17 -0.06 -0.02 0.00 -0.84 0.00 0.00 61.79 61.04 1sou h SER 31 Cb 0.14 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.61 1sou h SER 31 CO -0.02 0.45 -0.17 -1.13 -1.14 0.00 0.00 176.83 174.82 1sou h ASN 32 N 0.30 -0.41 -0.23 3.07 -0.73 -0.27 -1.25 115.58 116.06 1sou h ASN 32 Ca 0.06 -0.10 -0.02 0.00 1.87 0.00 0.00 56.30 58.11 1sou h ASN 32 Cb 0.39 0.11 -0.02 0.00 0.27 0.00 0.00 38.32 39.07 1sou h ASN 32 CO 0.02 -0.14 0.09 0.25 -0.37 0.00 0.00 177.43 177.29 1sou h LEU 33 N -0.68 0.38 -1.18 0.34 5.85 -0.98 -0.96 115.31 118.08 1sou h LEU 33 Ca -0.05 -0.04 -0.08 0.00 0.84 0.00 0.00 57.88 58.55 1sou h LEU 33 Cb 0.48 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.40 1sou h LEU 33 CO 0.08 0.37 -0.38 0.50 -0.34 0.00 0.00 178.44 178.67 1sou h LYS 34 N 0.42 0.06 0.00 1.25 1.63 -0.57 -2.55 116.57 116.80 1sou h LYS 34 Ca 0.10 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.88 1sou h LYS 34 Cb 0.13 -0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.76 1sou h LYS 34 CO -0.01 0.43 -0.54 0.43 -3.45 0.00 0.00 179.45 176.31 1sou n SER 35 N -4.08 0.67 -4.62 4.20 7.64 -0.49 -4.80 113.62 112.14 1sou n SER 35 Ca -0.02 0.13 -0.43 0.00 1.01 0.00 0.00 58.87 59.57 1sou n SER 35 Cb 0.42 0.07 -0.03 0.00 -1.01 0.00 0.00 64.21 63.66 1sou n SER 35 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 1sou s LEU 36 N -4.09 3.80 0.12 -3.43 0.20 -0.49 -4.89 118.68 109.90 1sou s LEU 36 Ca 0.07 1.90 -0.20 0.00 0.69 0.00 0.00 54.13 56.60 1sou s LEU 36 Cb 0.14 -3.52 -0.06 0.00 -0.43 0.00 0.00 46.19 42.31 1sou s LEU 36 CO 0.70 -1.52 1.77 -0.65 -0.29 0.00 0.00 176.35 176.36 1sou h PRO 37 N 12.49 0.21 0.00 0.98 0.11 -1.87 -1.82 132.00 142.10 1sou h PRO 37 Ca -0.40 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.70 1sou h PRO 37 Cb 1.20 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.26 1sou h PRO 37 CO 0.98 0.14 -0.00 0.93 -0.21 0.00 0.00 178.00 179.84 1sou h GLU 38 N 0.22 0.00 -0.04 1.05 3.07 -1.96 0.13 114.58 117.06 1sou h GLU 38 Ca 0.08 0.00 -0.08 0.00 -0.50 0.00 0.00 59.36 58.86 1sou h GLU 38 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.92 1sou h GLU 38 CO -0.04 0.00 -0.28 0.35 -1.40 0.00 0.00 179.01 177.64 1sou h PHE 39 N 0.00 0.36 0.00 4.33 3.57 -1.64 -2.90 116.94 120.65 1sou h PHE 39 Ca -0.00 -0.17 -0.14 0.00 3.53 0.00 0.00 57.97 61.20 1sou h PHE 39 Cb 0.19 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 38.86 1sou h PHE 39 CO 0.00 0.92 -0.66 -0.22 -2.23 0.00 0.00 178.31 176.12 1sou h LYS 40 N -0.30 0.00 -0.33 1.11 3.64 -0.95 -3.10 116.57 116.64 1sou h LYS 40 Ca -0.02 0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 59.23 1sou h LYS 40 Cb 0.96 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.77 1sou h LYS 40 CO 0.06 0.66 -0.32 0.87 -2.27 0.00 0.00 179.45 178.44 1sou h LYS 41 N 0.00 0.72 -6.85 1.90 1.79 -0.87 -3.44 116.57 109.82 1sou h LYS 41 Ca -0.01 -0.33 -0.47 0.00 -2.18 0.00 0.00 60.65 57.66 1sou h LYS 41 Cb 1.18 -0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 31.79 1sou h LYS 41 CO 0.09 0.94 0.23 0.45 -1.08 0.00 0.00 179.45 180.08 1sou s SER 42 N -6.81 6.97 -0.23 0.86 0.15 -1.09 -4.98 113.70 108.57 1sou s SER 42 Ca -0.09 1.54 0.06 0.00 0.70 0.00 0.00 55.95 58.17 1sou s SER 42 Cb 0.12 -2.47 -0.18 0.00 -1.71 0.00 0.00 66.02 61.78 1sou s SER 42 CO 0.84 -0.21 -0.13 0.29 1.20 0.00 0.00 173.24 175.23 1sou n LYS 43 N -0.16 0.70 -2.91 5.44 5.02 -1.26 -4.86 118.16 120.13 1sou n LYS 43 Ca 0.04 0.10 -0.43 0.00 -2.02 0.00 0.00 58.31 55.99 1sou n LYS 43 Cb 0.53 -1.48 -0.03 0.00 -0.02 0.00 0.00 35.03 34.02 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 -2.48 3.27 -0.15 1.97 1.02 -1.26 -0.37 119.74 121.74 1sou s LYS 44 Ca -0.26 -1.21 0.02 0.00 0.02 0.00 0.00 55.97 54.54 1sou s LYS 44 Cb 0.08 -4.48 0.02 0.00 -0.52 0.00 0.00 37.83 32.92 1sou s LYS 44 CO 0.62 -1.77 -0.20 0.08 -0.92 0.00 0.00 175.35 173.16 1sou s VAL 45 N 3.44 1.94 -0.25 3.17 1.01 -1.05 -1.69 120.40 126.98 1sou s VAL 45 Ca 0.25 -0.89 -0.11 0.00 0.00 0.00 0.00 61.98 61.23 1sou s VAL 45 Cb -0.13 -1.74 -0.05 0.00 0.00 0.00 0.00 36.38 34.46 1sou s VAL 45 CO 0.03 0.52 0.17 0.00 0.00 0.00 0.00 175.10 175.82 1sou s ALA 46 N 1.06 3.59 -0.24 5.51 0.00 0.45 -1.29 121.76 130.85 1sou s ALA 46 Ca -0.02 -0.93 -0.08 0.00 0.00 0.00 0.00 51.96 50.94 1sou s ALA 46 Cb -0.14 -2.35 -0.03 0.00 0.00 0.00 0.00 23.12 20.59 1sou s ALA 46 CO -0.06 -0.26 0.08 -0.51 0.00 0.00 0.00 175.76 175.00 1sou s LEU 47 N 1.20 3.59 -0.74 0.00 1.02 -0.93 -1.49 118.68 121.32 1sou s LEU 47 Ca 0.07 -0.12 -0.25 0.00 0.02 0.00 0.00 54.13 53.86 1sou s LEU 47 Cb -0.14 -1.95 0.05 0.00 0.02 0.00 0.00 46.19 44.17 1sou s LEU 47 CO 0.06 0.01 1.17 -0.47 0.02 0.00 0.00 176.35 177.14 1sou s TYR 48 N 1.35 2.48 -0.26 0.29 5.04 -0.53 -4.65 117.35 121.07 1sou s TYR 48 Ca 0.05 -0.35 -0.36 0.00 -2.44 0.00 0.00 57.07 53.98 1sou s TYR 48 Cb -0.15 -4.50 -0.12 0.00 0.35 0.00 0.00 41.96 37.55 1sou s TYR 48 CO 0.04 -1.88 2.02 0.00 -1.34 0.00 0.00 175.55 174.38 1sou s PRO 50 N 5.09 4.33 0.00 0.00 0.04 -1.26 -4.92 135.00 138.28 1sou s PRO 50 Ca 1.02 2.09 0.00 0.00 0.04 0.00 0.00 61.00 64.15 1sou s PRO 50 Cb -0.83 -3.22 0.00 0.00 0.04 0.00 0.00 34.50 30.49 1sou s PRO 50 CO 0.53 -0.38 0.05 0.44 0.04 0.00 0.00 177.00 177.68 1sou n ILE 51 N 3.44 0.00 -3.07 0.56 -6.64 -1.26 -4.81 119.36 107.58 1sou n ILE 51 Ca 0.10 -0.50 -0.19 0.00 -1.77 0.00 0.00 62.75 60.38 1sou n ILE 51 Cb 0.42 1.00 -0.04 0.00 -1.44 0.00 0.00 39.64 39.58 1sou n ILE 51 CO 0.00 0.00 0.00 0.29 -1.77 0.00 0.00 176.55 175.07 1sou n LYS 52 N -0.89 0.71 0.00 6.28 5.02 -1.26 -5.07 118.16 122.95 1sou n LYS 52 Ca 0.00 -2.80 0.00 0.00 -2.02 0.00 0.00 58.31 53.49 1sou n LYS 52 Cb 0.00 -1.30 0.00 0.00 -0.02 0.00 0.00 35.03 33.71 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 1.53 1.89 2.46 0.72 0.00 -1.26 -4.60 105.19 105.93 1sou n GLY 53 Ca 0.18 -0.40 -0.20 0.00 0.00 0.00 0.00 46.02 45.60 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 5.42 -1.48 -1.84 1.61 1.02 -1.26 -3.98 120.64 120.13 1sou n GLU 54 Ca 0.00 1.06 -0.01 0.00 -0.02 0.00 0.00 57.16 58.19 1sou n GLU 54 Cb 0.00 -5.54 -0.01 0.00 -0.02 0.00 0.00 31.44 25.88 1sou n GLU 54 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1sou n VAL 55 N -3.30 -8.09 -1.97 2.62 0.31 -1.26 -4.82 118.33 101.82 1sou n VAL 55 Ca -0.22 1.59 -0.33 0.00 -0.01 0.00 0.00 64.34 65.37 1sou n VAL 55 Cb 0.66 -4.81 -0.04 0.00 -0.91 0.00 0.00 33.84 28.75 1sou n VAL 55 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 1sou s ASP 56 N -0.33 5.07 0.00 4.52 1.01 -1.26 -4.76 116.67 120.93 1sou s ASP 56 Ca -0.06 0.10 0.10 0.00 0.71 0.00 0.00 52.55 53.40 1sou s ASP 56 Cb 0.00 -2.54 0.30 0.00 1.01 0.00 0.00 42.92 41.70 1sou s ASP 56 CO 0.16 -2.62 1.25 0.18 0.21 0.00 0.00 175.17 174.34 1sou n LEU 57 N 13.77 1.61 -0.06 1.23 4.77 -1.26 -4.27 117.00 132.78 1sou n LEU 57 Ca 0.29 -0.80 -0.10 0.00 -0.03 0.00 0.00 56.01 55.37 1sou n LEU 57 Cb 0.50 -0.20 -0.04 0.00 -2.33 0.00 0.00 43.42 41.36 1sou n LEU 57 CO 0.67 0.40 0.88 0.71 -1.33 0.00 0.00 177.39 178.72 1sou h THR 58 N 1.78 1.15 0.00 -5.08 1.35 -1.97 -2.46 112.91 107.68 1sou h THR 58 Ca 0.00 -0.43 0.00 0.00 -0.55 0.00 0.00 66.41 65.43 1sou h THR 58 Cb 0.41 1.02 0.00 0.00 -1.73 0.00 0.00 68.15 67.85 1sou h THR 58 CO 0.00 0.14 0.00 -0.81 -0.25 0.00 0.00 175.52 174.60 1sou n PRO 59 N -4.84 0.55 0.08 4.72 -0.04 -1.26 -2.33 135.00 131.88 1sou n PRO 59 Ca -0.03 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.54 1sou n PRO 59 Cb 0.11 -1.44 0.11 0.00 -0.04 0.00 0.00 33.50 32.23 1sou n PRO 59 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 1sou h LEU 60 N 0.00 0.00 -0.33 1.53 5.85 -1.73 -3.37 115.31 117.26 1sou h LEU 60 Ca 0.00 -0.14 0.04 0.00 0.84 0.00 0.00 57.88 58.63 1sou h LEU 60 Cb 0.00 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 40.99 1sou h LEU 60 CO 0.00 0.07 0.10 -0.26 -0.34 0.00 0.00 178.44 178.00 1sou h PHE 61 N 0.00 0.17 -1.16 1.25 0.04 -1.55 -1.55 116.94 114.14 1sou h PHE 61 Ca 0.00 0.02 0.33 0.00 2.80 0.00 0.00 57.97 61.12 1sou h PHE 61 Cb 0.85 -0.03 -0.06 0.00 2.20 0.00 0.00 35.95 38.91 1sou h PHE 61 CO 0.00 0.06 0.81 -1.35 -0.60 0.00 0.00 178.31 177.23 1sou h PRO 62 N 0.23 0.10 0.04 1.51 0.11 -1.82 0.17 132.00 132.35 1sou h PRO 62 Ca 0.15 -0.01 -0.07 0.00 0.11 0.00 0.00 66.00 66.19 1sou h PRO 62 Cb 0.14 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.24 1sou h PRO 62 CO -0.17 0.07 -0.32 0.93 -0.21 0.00 0.00 178.00 178.29 1sou h GLU 63 N 0.10 0.09 -0.83 1.05 4.39 -1.57 -3.36 114.58 114.45 1sou h GLU 63 Ca 0.58 -0.16 -0.02 0.00 0.34 0.00 0.00 59.36 60.10 1sou h GLU 63 Cb 2.09 0.06 -0.04 0.00 -0.10 0.00 0.00 28.75 30.76 1sou h GLU 63 CO -0.09 1.08 0.43 0.28 -1.16 0.00 0.00 179.01 179.54 1sou h VAL 64 N -0.80 1.25 0.00 3.13 2.07 -0.31 -2.29 116.25 119.30 1sou h VAL 64 Ca -0.06 -0.66 0.00 0.00 0.82 0.00 0.00 66.70 66.80 1sou h VAL 64 Cb 1.22 0.15 0.00 0.00 -1.52 0.00 0.00 31.29 31.14 1sou h VAL 64 CO 0.04 0.29 0.00 0.18 0.02 0.00 0.00 177.57 178.09 1sou n LEU 65 N -4.33 0.61 -0.08 2.57 4.77 0.49 -0.37 117.00 120.66 1sou n LEU 65 Ca 0.08 0.72 -0.21 0.00 -0.03 0.00 0.00 56.01 56.58 1sou n LEU 65 Cb 0.12 -0.73 -0.12 0.00 -2.33 0.00 0.00 43.42 40.36 1sou n LEU 65 CO 0.39 -0.79 -0.47 0.11 -1.33 0.00 0.00 177.39 175.30 1sou h LYS 66 N 0.00 0.05 0.07 3.23 1.57 -1.55 -3.43 116.57 116.50 1sou h LYS 66 Ca 0.00 -0.08 -0.36 0.00 -1.87 0.00 0.00 60.65 58.33 1sou h LYS 66 Cb 0.15 0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.46 1sou h LYS 66 CO 0.00 1.04 -2.12 0.39 -0.57 0.00 0.00 179.45 178.18 1sou n GLU 67 N -4.31 0.71 -4.56 3.15 1.02 -1.04 -5.03 120.64 110.58 1sou n GLU 67 Ca -0.30 0.22 -0.27 0.00 -0.02 0.00 0.00 57.16 56.79 1sou n GLU 67 Cb 0.72 -1.65 -0.11 0.00 -0.02 0.00 0.00 31.44 30.38 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 -2.55 1.90 -0.24 3.49 1.02 0.50 -4.87 119.74 118.98 1sou s LYS 68 Ca -0.23 -2.00 -0.17 0.00 0.02 0.00 0.00 55.97 53.59 1sou s LYS 68 Cb 0.07 -1.69 -0.03 0.00 -0.52 0.00 0.00 37.83 35.66 1sou s LYS 68 CO 0.73 0.05 0.47 -1.21 -0.92 0.00 0.00 175.35 174.47 1sou s GLU 69 N -3.67 4.09 -0.41 1.68 2.02 0.50 -4.48 118.70 118.44 1sou s GLU 69 Ca 0.34 0.26 -0.26 0.00 0.02 0.00 0.00 54.97 55.33 1sou s GLU 69 Cb 0.06 -3.62 0.02 0.00 0.10 0.00 0.00 34.13 30.69 1sou s GLU 69 CO 0.17 -0.26 0.94 -1.17 0.02 0.00 0.00 175.26 174.97 1sou s LEU 70 N 2.01 3.97 -0.33 1.80 2.96 0.39 -2.53 118.68 126.94 1sou s LEU 70 Ca 0.20 0.43 -0.13 0.00 -0.22 0.00 0.00 54.13 54.41 1sou s LEU 70 Cb -0.15 -3.27 -0.02 0.00 0.50 0.00 0.00 46.19 43.25 1sou s LEU 70 CO 0.09 -0.95 0.27 -0.63 -1.32 0.00 0.00 176.35 173.81 1sou s ILE 71 N 3.64 5.26 -0.05 6.68 1.01 -0.41 -0.73 121.20 136.59 1sou s ILE 71 Ca 0.39 -0.10 0.06 0.00 0.00 0.00 0.00 60.65 61.00 1sou s ILE 71 Cb -0.11 -3.72 -0.01 0.00 0.01 0.00 0.00 42.46 38.63 1sou s ILE 71 CO 0.22 -0.00 -0.24 -0.76 0.00 0.00 0.00 174.94 174.16 1sou s LEU 72 N 1.81 2.04 0.14 2.97 1.43 0.46 -2.20 118.68 125.32 1sou s LEU 72 Ca 0.08 -0.47 -0.30 0.00 -1.03 0.00 0.00 54.13 52.40 1sou s LEU 72 Cb -0.17 -1.28 -0.07 0.00 0.03 0.00 0.00 46.19 44.69 1sou s LEU 72 CO 0.11 0.24 1.23 -2.84 0.23 0.00 0.00 176.35 175.32 1sou s PRO 73 N -0.19 4.44 -0.18 1.29 0.02 -1.26 -1.52 135.00 137.60 1sou s PRO 73 Ca -0.02 1.88 -0.06 0.00 0.02 0.00 0.00 61.00 62.82 1sou s PRO 73 Cb -0.13 -3.27 -0.03 0.00 0.02 0.00 0.00 34.50 31.09 1sou s PRO 73 CO 0.03 -0.20 0.03 0.21 -0.33 0.00 0.00 177.00 176.74 1sou s LYS 74 N 0.35 3.83 -0.63 5.54 2.20 0.47 -4.66 119.74 126.84 1sou s LYS 74 Ca 0.56 -0.42 -0.27 0.00 -0.36 0.00 0.00 55.97 55.48 1sou s LYS 74 Cb -0.32 -3.12 0.03 0.00 -1.51 0.00 0.00 37.83 32.91 1sou s LYS 74 CO 0.34 0.21 1.18 0.08 -0.36 0.00 0.00 175.35 176.80 1sou s VAL 75 N 0.50 3.98 -1.65 4.02 1.01 -1.26 -1.36 120.40 125.64 1sou s VAL 75 Ca 0.01 0.64 0.16 0.00 0.00 0.00 0.00 61.98 62.79 1sou s VAL 75 Cb -0.13 -4.76 0.54 0.00 0.00 0.00 0.00 36.38 32.02 1sou s VAL 75 CO 0.02 -1.48 1.44 1.21 0.00 0.00 0.00 175.10 176.28 1sou n GLU 76 N 8.59 2.71 0.00 2.72 4.07 -0.52 -5.00 120.64 133.21 1sou n GLU 76 Ca 0.06 -2.16 0.00 0.00 -0.06 0.00 0.00 57.16 54.99 1sou n GLU 76 Cb 0.49 -1.59 0.00 0.00 -0.06 0.00 0.00 31.44 30.28 1sou n GLU 76 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1sou n GLY 77 N 1.22 1.39 0.03 8.31 0.00 -1.26 -4.40 105.19 110.47 1sou n GLY 77 Ca 0.20 -0.92 0.11 0.00 0.00 0.00 0.00 46.02 45.40 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 0.57 -4.83 1.61 4.13 -1.26 -4.91 115.26 110.57 1sou n ASN 78 Ca 0.00 -0.25 -0.36 0.00 1.68 0.00 0.00 54.58 55.65 1sou n ASN 78 Cb 0.00 1.02 -0.06 0.00 -1.54 0.00 0.00 39.78 39.20 1sou n ASN 78 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 1sou s GLU 79 N -3.24 4.07 -0.29 3.52 8.01 -1.26 -4.93 118.70 124.58 1sou s GLU 79 Ca 0.02 0.60 -0.03 0.00 0.01 0.00 0.00 54.97 55.57 1sou s GLU 79 Cb 0.14 -3.01 0.04 0.00 -4.31 0.00 0.00 34.13 26.99 1sou s GLU 79 CO 0.83 0.52 0.00 0.42 0.01 0.00 0.00 175.26 177.04 1sou s ILE 80 N -1.37 3.14 -0.45 -1.63 1.01 -1.26 -1.43 121.20 119.21 1sou s ILE 80 Ca 0.36 -1.21 -0.19 0.00 0.00 0.00 0.00 60.65 59.61 1sou s ILE 80 Cb -0.16 -2.74 0.03 0.00 0.01 0.00 0.00 42.46 39.60 1sou s ILE 80 CO 0.19 -0.03 0.54 -0.44 0.00 0.00 0.00 174.94 175.20 1sou s SER 81 N 1.31 6.23 -0.58 3.58 0.01 -0.46 -4.87 113.70 118.92 1sou s SER 81 Ca -0.03 -0.69 -0.28 0.00 1.31 0.00 0.00 55.95 56.27 1sou s SER 81 Cb -0.19 -2.26 0.01 0.00 0.21 0.00 0.00 66.02 63.79 1sou s SER 81 CO -0.01 -0.72 1.43 -0.76 0.41 0.00 0.00 173.24 173.59 1sou s LEU 82 N 2.42 3.37 -0.11 2.44 1.43 -1.26 -0.40 118.68 126.57 1sou s LEU 82 Ca 0.15 0.21 -0.06 0.00 -1.03 0.00 0.00 54.13 53.40 1sou s LEU 82 Cb -0.17 -2.96 -0.04 0.00 0.03 0.00 0.00 46.19 43.05 1sou s LEU 82 CO 0.14 -1.78 0.12 -0.31 0.23 0.00 0.00 176.35 174.75 1sou s TYR 83 N 6.25 3.52 0.14 0.29 1.51 -0.58 -0.43 117.35 128.06 1sou s TYR 83 Ca 0.52 0.47 0.10 0.00 -1.01 0.00 0.00 57.07 57.14 1sou s TYR 83 Cb -0.11 -1.91 -0.04 0.00 -0.11 0.00 0.00 41.96 39.79 1sou s TYR 83 CO 0.23 0.69 -0.20 -0.98 -1.11 0.00 0.00 175.55 174.19 1sou s ARG 84 N -1.03 1.70 0.32 -0.62 1.04 -0.73 -0.40 118.95 119.23 1sou s ARG 84 Ca 0.15 -1.29 -0.05 0.00 -1.04 0.00 0.00 55.73 53.51 1sou s ARG 84 Cb -0.12 -2.03 0.00 0.00 -2.04 0.00 0.00 34.95 30.76 1sou s ARG 84 CO 0.04 0.45 0.48 0.14 -0.04 0.00 0.00 175.30 176.37 1sou s VAL 85 N -1.30 0.00 -0.00 4.99 -7.23 0.09 -3.92 120.40 113.03 1sou s VAL 85 Ca 0.19 -1.55 0.00 0.00 -1.81 0.00 0.00 61.98 58.81 1sou s VAL 85 Cb -0.10 -2.57 0.00 0.00 0.56 0.00 0.00 36.38 34.27 1sou s VAL 85 CO 0.10 0.00 0.57 0.00 -0.31 0.00 0.00 175.10 175.46 1sou n HIS 86 N -0.52 0.00 -3.53 2.82 1.44 -1.26 -0.46 115.22 113.71 1sou n HIS 86 Ca 0.00 -0.02 -0.15 0.00 -2.01 0.00 0.00 57.72 55.54 1sou n HIS 86 Cb 0.62 -0.01 -0.06 0.00 0.12 0.00 0.00 29.99 30.66 1sou n HIS 86 CO 0.00 0.00 0.00 -1.54 -2.81 0.00 0.00 176.34 171.99 1sou s SER 87 N -0.14 -0.57 0.00 4.39 1.04 -1.26 -4.81 113.70 112.35 1sou s SER 87 Ca 0.00 0.59 -0.05 0.00 0.48 0.00 0.00 55.95 56.97 1sou s SER 87 Cb 0.00 0.47 -0.21 0.00 0.10 0.00 0.00 66.02 66.38 1sou s SER 87 CO 0.00 -0.54 2.98 -2.65 0.98 0.00 0.00 173.24 174.01 1sou n PRO 88 N 0.79 1.59 0.00 4.02 -0.02 -1.26 -4.65 135.00 135.48 1sou n PRO 88 Ca -0.16 -0.78 0.00 0.00 -2.02 0.00 0.00 63.50 60.53 1sou n PRO 88 Cb 0.58 -1.88 0.00 0.00 -0.02 0.00 0.00 33.50 32.17 1sou n PRO 88 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1sou n ALA 89 N 2.57 -0.34 -3.87 3.55 0.00 -1.26 -4.56 120.51 116.61 1sou n ALA 89 Ca 0.34 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.48 1sou n ALA 89 Cb 0.73 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 20.04 1sou n ALA 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1sou s LEU 91 N 0.53 1.83 0.00 0.00 1.43 -1.26 -2.17 118.68 119.04 1sou s LEU 91 Ca 0.14 -0.53 0.01 0.00 -1.03 0.00 0.00 54.13 52.72 1sou s LEU 91 Cb -0.22 -1.27 0.01 0.00 0.03 0.00 0.00 46.19 44.74 1sou s LEU 91 CO -0.06 -0.03 0.10 0.61 0.23 0.00 0.00 176.35 177.20 1sou n GLY 92 N 4.63 2.16 2.72 -3.19 0.00 -0.00 -4.82 105.19 106.69 1sou n GLY 92 Ca -0.18 -2.15 -0.24 0.00 0.00 0.00 0.00 46.02 43.45 1sou n GLY 92 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1sou s VAL 93 N 0.32 0.25 0.19 1.61 1.01 -1.26 0.54 120.40 123.06 1sou s VAL 93 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 61.98 62.06 1sou s VAL 93 Cb -0.01 -0.57 0.00 0.00 0.00 0.00 0.00 36.38 35.81 1sou s VAL 93 CO 0.05 0.07 0.00 0.61 0.00 0.00 0.00 175.10 175.83 1sou n GLY 94 N 5.18 -0.16 3.64 4.51 0.00 -1.24 -4.97 105.19 112.14 1sou n GLY 94 Ca -0.07 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.61 1sou n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sou s ALA 95 N -2.00 3.19 -0.15 4.61 0.00 -1.26 -4.50 121.76 121.65 1sou s ALA 95 Ca 0.00 -0.83 0.00 0.00 0.00 0.00 0.00 51.96 51.13 1sou s ALA 95 Cb 0.00 -1.43 0.00 0.00 0.00 0.00 0.00 23.12 21.69 1sou s ALA 95 CO 0.00 0.55 0.00 1.19 0.00 0.00 0.00 175.76 177.50 1sou n PHE 96 N 2.28 0.00 -1.24 0.00 3.72 -1.26 -2.09 117.46 118.88 1sou n PHE 96 Ca -0.18 0.00 -0.08 0.00 -0.05 0.00 0.00 57.45 57.14 1sou n PHE 96 Cb 0.53 -1.59 -0.03 0.00 -0.94 0.00 0.00 39.48 37.45 1sou n PHE 96 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1sou n GLY 97 N -0.13 0.94 3.92 1.37 0.00 -1.26 -4.99 105.19 105.03 1sou n GLY 97 Ca -0.01 -0.26 -0.21 0.00 0.00 0.00 0.00 46.02 45.53 1sou n GLY 97 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1sou s ILE 98 N -2.07 2.47 0.10 -0.61 -4.36 -0.89 -4.95 121.20 110.89 1sou s ILE 98 Ca 0.00 -1.28 -0.30 0.00 -0.26 0.00 0.00 60.65 58.81 1sou s ILE 98 Cb 0.00 -2.75 -0.06 0.00 1.25 0.00 0.00 42.46 40.90 1sou s ILE 98 CO 0.00 0.00 1.21 -0.04 0.24 0.00 0.00 174.94 176.35 1sou s MET 99 N -4.25 4.44 -0.18 0.37 -1.94 -1.26 -3.63 119.30 112.84 1sou s MET 99 Ca 0.48 1.82 -0.00 0.00 -1.71 0.00 0.00 55.69 56.28 1sou s MET 99 Cb -0.04 -3.31 0.01 0.00 2.01 0.00 0.00 34.83 33.49 1sou s MET 99 CO 0.29 -0.23 -0.15 -2.00 -0.01 0.00 0.00 175.02 172.92 1sou s GLU 100 N 0.74 3.14 -0.04 2.03 2.12 0.19 -4.94 118.70 121.95 1sou s GLU 100 Ca 0.58 -0.76 -0.30 0.00 0.36 0.00 0.00 54.97 54.85 1sou s GLU 100 Cb -0.31 -2.69 -0.07 0.00 0.26 0.00 0.00 34.13 31.32 1sou s GLU 100 CO 0.31 -0.15 1.90 -1.25 -0.54 0.00 0.00 175.26 175.53 1sou s PRO 101 N 1.22 3.98 -0.19 4.30 0.04 -1.26 -0.82 135.00 142.26 1sou s PRO 101 Ca 0.02 2.35 -0.15 0.00 0.04 0.00 0.00 61.00 63.27 1sou s PRO 101 Cb -0.14 -4.14 -0.09 0.00 0.04 0.00 0.00 34.50 30.16 1sou s PRO 101 CO -0.07 -1.12 -0.12 0.28 0.04 0.00 0.00 177.00 176.00 1sou n VAL 102 N 5.92 1.48 -4.07 -0.36 0.31 -0.92 -4.90 118.33 115.80 1sou n VAL 102 Ca 0.21 0.05 -0.26 0.00 -0.01 0.00 0.00 64.34 64.32 1sou n VAL 102 Cb 0.42 -2.21 -0.05 0.00 -0.91 0.00 0.00 33.84 31.09 1sou n VAL 102 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 1sou s GLU 103 N -2.43 2.96 0.00 5.55 2.02 -1.22 -5.06 118.70 120.52 1sou s GLU 103 Ca -0.25 -0.83 0.00 0.00 0.02 0.00 0.00 54.97 53.91 1sou s GLU 103 Cb 0.05 -2.69 0.00 0.00 0.10 0.00 0.00 34.13 31.60 1sou s GLU 103 CO 0.40 0.49 0.00 0.41 0.02 0.00 0.00 175.26 176.58 1sou n GLY 104 N -0.31 3.65 3.74 -1.39 0.00 -1.26 -4.84 105.19 104.77 1sou n GLY 104 Ca -0.08 -1.76 -0.40 0.00 0.00 0.00 0.00 46.02 43.78 1sou n GLY 104 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1sou s GLU 105 N -2.72 4.62 0.20 1.61 8.01 -1.25 -4.87 118.70 124.30 1sou s GLU 105 Ca 0.00 1.27 -0.17 0.00 0.01 0.00 0.00 54.97 56.08 1sou s GLU 105 Cb 0.00 -3.35 -0.08 0.00 -4.31 0.00 0.00 34.13 26.39 1sou s GLU 105 CO 0.00 0.32 0.66 -0.98 0.01 0.00 0.00 175.26 175.26 1sou s ARG 106 N -0.28 4.12 0.07 1.61 1.70 -1.26 -1.77 118.95 123.14 1sou s ARG 106 Ca 0.42 0.70 0.03 0.00 -0.47 0.00 0.00 55.73 56.40 1sou s ARG 106 Cb -0.22 -2.85 -0.03 0.00 -0.57 0.00 0.00 34.95 31.27 1sou s ARG 106 CO 0.27 0.40 -0.09 0.08 -1.08 0.00 0.00 175.30 174.88 1sou s VAL 107 N -1.55 0.72 0.60 4.99 1.01 0.43 -4.96 120.40 121.64 1sou s VAL 107 Ca 0.42 -1.39 -0.09 0.00 0.00 0.00 0.00 61.98 60.92 1sou s VAL 107 Cb -0.15 -1.03 -0.02 0.00 0.00 0.00 0.00 36.38 35.18 1sou s VAL 107 CO 0.20 -0.50 0.97 0.20 0.00 0.00 0.00 175.10 175.97 1sou s ASN 108 N -2.07 5.94 0.32 3.32 0.01 -1.26 -4.34 114.94 116.87 1sou s ASN 108 Ca -0.02 1.12 0.15 0.00 -0.71 0.00 0.00 52.86 53.40 1sou s ASN 108 Cb -0.05 -2.16 0.80 0.00 0.41 0.00 0.00 41.25 40.24 1sou s ASN 108 CO -0.00 -0.95 1.37 -2.65 -1.51 0.00 0.00 177.10 173.35 1sou n PRO 109 N -2.67 0.10 -0.26 -0.60 -0.02 -1.26 -1.23 135.00 129.06 1sou n PRO 109 Ca 0.05 0.58 0.12 0.00 -2.02 0.00 0.00 63.50 62.22 1sou n PRO 109 Cb 0.56 -2.06 0.37 0.00 -0.02 0.00 0.00 33.50 32.35 1sou n PRO 109 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1sou h GLU 110 N 0.00 0.68 0.00 -0.52 4.57 -1.94 -1.97 114.58 115.39 1sou h GLU 110 Ca 0.00 -0.04 -0.08 0.00 -1.18 0.00 0.00 59.36 58.06 1sou h GLU 110 Cb 0.48 -0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 28.90 1sou h GLU 110 CO 0.00 0.45 -0.52 0.22 -1.18 0.00 0.00 179.01 177.98 1sou h ASP 111 N 0.70 0.00 -2.39 1.04 3.58 -1.54 -3.44 116.42 114.37 1sou h ASP 111 Ca 0.44 0.00 -0.55 0.00 0.42 0.00 0.00 57.03 57.33 1sou h ASP 111 Cb 0.69 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.71 1sou h ASP 111 CO -0.20 0.37 1.34 -0.69 -2.88 0.00 0.00 179.24 177.18 1sou s VAL 112 N -3.04 3.37 -0.24 2.25 1.01 -0.74 -4.82 120.40 118.20 1sou s VAL 112 Ca 0.04 0.35 -0.18 0.00 0.00 0.00 0.00 61.98 62.18 1sou s VAL 112 Cb 0.07 -3.58 -0.16 0.00 0.00 0.00 0.00 36.38 32.70 1sou s VAL 112 CO 0.74 -0.43 -0.01 -0.67 0.00 0.00 0.00 175.10 174.73 1sou n ASP 113 N 11.31 1.90 -4.25 3.32 2.03 -1.23 -4.24 116.55 125.40 1sou n ASP 113 Ca 0.24 0.38 -0.32 0.00 0.52 0.00 0.00 54.79 55.61 1sou n ASP 113 Cb 0.48 -0.90 -0.16 0.00 -0.72 0.00 0.00 41.12 39.81 1sou n ASP 113 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 1sou s PHE 114 N -2.42 2.62 -0.00 -0.67 2.19 -0.68 -1.28 117.98 117.73 1sou s PHE 114 Ca -0.33 -0.97 0.00 0.00 0.33 0.00 0.00 56.93 55.96 1sou s PHE 114 Cb 0.09 -1.74 0.00 0.00 -1.31 0.00 0.00 43.02 40.06 1sou s PHE 114 CO 0.56 -0.38 -0.01 -1.50 1.83 0.00 0.00 175.22 175.71 1sou s ILE 115 N 0.36 0.08 -0.20 3.12 2.07 -0.93 -0.41 121.20 125.29 1sou s ILE 115 Ca -0.17 -0.03 0.01 0.00 -1.41 0.00 0.00 60.65 59.05 1sou s ILE 115 Cb -0.17 -0.08 0.04 0.00 0.13 0.00 0.00 42.46 42.37 1sou s ILE 115 CO 0.08 0.03 -0.14 0.00 -1.91 0.00 0.00 174.94 173.00 1sou s ALA 116 N 0.03 2.18 -0.10 1.50 0.00 -0.56 -0.64 121.76 124.18 1sou s ALA 116 Ca -0.00 -1.27 0.02 0.00 0.00 0.00 0.00 51.96 50.71 1sou s ALA 116 Cb -0.01 -1.28 0.01 0.00 0.00 0.00 0.00 23.12 21.84 1sou s ALA 116 CO -0.00 -0.69 -0.16 0.14 0.00 0.00 0.00 175.76 175.04 1sou s VAL 117 N 1.32 1.54 0.00 0.00 -7.23 0.44 -1.46 120.40 115.02 1sou s VAL 117 Ca -0.00 -0.69 0.00 0.00 -1.81 0.00 0.00 61.98 59.48 1sou s VAL 117 Cb -0.16 -1.39 0.00 0.00 0.56 0.00 0.00 36.38 35.40 1sou s VAL 117 CO -0.09 0.45 0.00 -0.81 -0.31 0.00 0.00 175.10 174.33 1sou n PRO 118 N 3.98 0.81 0.00 4.82 -0.05 -1.26 -1.84 135.00 141.46 1sou n PRO 118 Ca -0.20 0.00 0.00 0.00 -0.05 0.00 0.00 63.50 63.25 1sou n PRO 118 Cb 0.52 0.00 0.00 0.00 -0.05 0.00 0.00 33.50 33.97 1sou n PRO 118 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 175.50 175.86 1sou n GLY 119 N 5.00 0.32 3.61 0.55 0.00 -1.26 -4.86 105.19 108.55 1sou n GLY 119 Ca 0.00 -1.21 -0.38 0.00 0.00 0.00 0.00 46.02 44.44 1sou n GLY 119 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1sou s VAL 120 N -2.00 5.32 0.13 1.61 1.01 -1.18 -4.91 120.40 120.37 1sou s VAL 120 Ca 0.00 0.17 0.00 0.00 0.00 0.00 0.00 61.98 62.15 1sou s VAL 120 Cb 0.00 -3.52 0.00 0.00 0.00 0.00 0.00 36.38 32.86 1sou s VAL 120 CO 0.00 0.27 0.00 0.00 0.00 0.00 0.00 175.10 175.37 1sou n ALA 121 N 4.86 -2.63 -2.22 5.51 0.00 -1.26 -3.24 120.51 121.52 1sou n ALA 121 Ca -0.14 0.19 -0.13 0.00 0.00 0.00 0.00 53.44 53.36 1sou n ALA 121 Cb 0.52 -0.87 -0.10 0.00 0.00 0.00 0.00 19.45 19.00 1sou n ALA 121 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1sou s PHE 122 N -1.00 1.19 0.00 0.00 0.08 -0.35 -4.26 117.98 113.65 1sou s PHE 122 Ca 0.00 -1.26 0.00 0.00 0.12 0.00 0.00 56.93 55.79 1sou s PHE 122 Cb 0.00 -0.64 0.00 0.00 -0.57 0.00 0.00 43.02 41.81 1sou s PHE 122 CO 0.00 -0.49 0.00 -0.40 -0.10 0.00 0.00 175.22 174.23 1sou n ASP 123 N -0.28 1.37 0.12 1.36 5.68 -1.26 -0.40 116.55 123.14 1sou n ASP 123 Ca -0.01 -0.46 0.09 0.00 -0.50 0.00 0.00 54.79 53.92 1sou n ASP 123 Cb 0.65 0.00 0.47 0.00 -1.14 0.00 0.00 41.12 41.10 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 0.47 -0.01 -2.12 4.77 -0.72 -3.17 117.00 116.22 1sou n LEU 124 Ca 0.00 0.69 -0.03 0.00 -0.03 0.00 0.00 56.01 56.64 1sou n LEU 124 Cb 0.00 -0.71 -0.01 0.00 -2.33 0.00 0.00 43.42 40.37 1sou n LEU 124 CO 0.00 -0.76 -0.24 -0.62 -1.33 0.00 0.00 177.39 174.43 1sou n GLU 125 N -2.10 0.19 0.00 3.23 1.02 -1.26 -5.10 120.64 116.62 1sou n GLU 125 Ca -0.00 0.07 0.00 0.00 -0.02 0.00 0.00 57.16 57.21 1sou n GLU 125 Cb 0.08 -0.77 0.00 0.00 -0.02 0.00 0.00 31.44 30.73 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 2.54 0.15 3.74 0.62 0.00 -1.19 -4.79 105.19 106.25 1sou n GLY 126 Ca -0.05 -0.54 -0.40 0.00 0.00 0.00 0.00 46.02 45.02 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 0.00 3.75 -1.16 1.61 2.02 -1.26 -1.35 117.35 120.96 1sou s TYR 127 Ca 0.00 1.59 -0.17 0.00 -0.37 0.00 0.00 57.07 58.12 1sou s TYR 127 Cb 0.00 -2.92 0.13 0.00 -0.40 0.00 0.00 41.96 38.77 1sou s TYR 127 CO 0.00 0.22 1.46 0.50 -1.57 0.00 0.00 175.55 176.16 1sou s ARG 128 N 0.08 3.93 0.07 -0.62 3.00 0.01 -4.67 118.95 120.75 1sou s ARG 128 Ca 0.42 -2.15 -0.33 0.00 -1.00 0.00 0.00 55.73 52.67 1sou s ARG 128 Cb -0.21 -5.19 -0.18 0.00 0.00 0.00 0.00 34.95 29.36 1sou s ARG 128 CO 0.25 -1.94 1.62 1.25 0.00 0.00 0.00 175.30 176.48 1sou h LEU 129 N 10.88 -0.87 0.00 -0.88 5.85 -1.78 -3.47 115.31 125.03 1sou h LEU 129 Ca 0.31 0.04 0.00 0.00 0.84 0.00 0.00 57.88 59.07 1sou h LEU 129 Cb 0.91 0.24 0.00 0.00 0.37 0.00 0.00 40.66 42.18 1sou h LEU 129 CO 1.29 -0.58 0.00 0.61 -0.34 0.00 0.00 178.44 179.42 1sou n GLY 130 N -1.51 1.61 2.00 3.75 0.00 -1.20 -4.53 105.19 105.32 1sou n GLY 130 Ca -0.13 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.50 1sou n GLY 130 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1sou n PHE 131 N 0.00 -1.13 -4.23 1.61 3.72 -1.26 -3.12 117.46 113.05 1sou n PHE 131 Ca 0.00 0.20 -0.16 0.00 -0.05 0.00 0.00 57.45 57.44 1sou n PHE 131 Cb 0.00 0.56 -0.08 0.00 -0.94 0.00 0.00 39.48 39.02 1sou n PHE 131 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1sou s GLY 132 N -4.37 1.86 -0.41 1.37 0.00 -1.26 -5.13 107.32 99.38 1sou s GLY 132 Ca 0.00 -1.85 -0.18 0.00 0.00 0.00 0.00 44.72 42.69 1sou s GLY 132 CO 0.00 -1.38 0.51 0.54 0.00 0.00 0.00 173.10 172.77 1sou s LYS 133 N -3.72 3.29 0.00 2.90 1.02 -1.26 -4.60 119.74 117.36 1sou s LYS 133 Ca 0.39 -0.50 0.00 0.00 0.02 0.00 0.00 55.97 55.88 1sou s LYS 133 Cb 0.04 -3.92 0.00 0.00 -0.52 0.00 0.00 37.83 33.43 1sou s LYS 133 CO 0.20 -0.84 0.00 0.41 -0.92 0.00 0.00 175.35 174.20 1sou n GLY 134 N 5.01 -0.24 0.00 -3.33 0.00 -1.26 -5.08 105.19 100.30 1sou n GLY 134 Ca -0.05 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.70 1sou n GLY 134 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1sou n TYR 135 N -0.56 0.00 0.11 1.61 4.01 -1.26 -4.96 117.16 116.11 1sou n TYR 135 Ca 0.00 0.00 0.12 0.00 -0.16 0.00 0.00 57.90 57.86 1sou n TYR 135 Cb 0.17 0.00 0.24 0.00 -0.31 0.00 0.00 39.34 39.44 1sou n TYR 135 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 1sou n TYR 136 N 0.00 0.62 0.35 -0.72 4.01 -1.26 -3.99 117.16 116.17 1sou n TYR 136 Ca 0.00 -0.32 0.14 0.00 -0.16 0.00 0.00 57.90 57.56 1sou n TYR 136 Cb 0.00 -0.00 0.57 0.00 -0.31 0.00 0.00 39.34 39.60 1sou n TYR 136 CO 0.00 0.00 0.00 0.38 -0.46 0.00 0.00 176.86 176.78 1sou h ASP 137 N 4.36 0.00 -0.74 7.72 2.03 -1.93 -2.36 116.42 125.49 1sou h ASP 137 Ca 0.00 0.00 0.14 0.00 -0.73 0.00 0.00 57.03 56.44 1sou h ASP 137 Cb 0.98 0.00 -0.05 0.00 -0.83 0.00 0.00 39.33 39.43 1sou h ASP 137 CO 0.00 0.00 0.49 -0.09 -1.03 0.00 0.00 179.24 178.61 1sou h ARG 138 N 0.00 0.44 0.00 4.15 2.43 -1.97 0.31 114.38 119.75 1sou h ARG 138 Ca 0.00 -0.03 -0.15 0.00 -0.81 0.00 0.00 59.98 58.99 1sou h ARG 138 Cb 0.44 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.87 1sou h ARG 138 CO 0.00 0.29 -0.86 1.25 -1.51 0.00 0.00 179.97 179.15 1sou h LEU 139 N 0.46 0.00 -2.20 3.80 5.85 -1.75 -3.39 115.31 118.08 1sou h LEU 139 Ca 0.36 -0.56 0.05 0.00 0.84 0.00 0.00 57.88 58.57 1sou h LEU 139 Cb 0.76 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.79 1sou h LEU 139 CO -0.12 1.28 0.15 -0.07 -0.34 0.00 0.00 178.44 179.34 1sou h LEU 140 N -1.00 0.00 -0.85 2.25 3.38 -1.20 -0.38 115.31 117.52 1sou h LEU 140 Ca -0.23 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.64 1sou h LEU 140 Cb 1.12 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.85 1sou h LEU 140 CO -0.14 0.00 -0.52 0.50 0.09 0.00 0.00 178.44 178.38 1sou h LYS 141 N 0.00 0.00 -0.01 1.13 3.64 -0.57 -3.27 116.57 117.50 1sou h LYS 141 Ca 0.08 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 1sou h LYS 141 Cb 0.38 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.20 1sou h LYS 141 CO -0.00 0.52 -0.11 -2.13 -2.27 0.00 0.00 179.45 175.46 1sou n ARG 142 N -3.71 1.34 -2.07 1.90 0.63 -0.25 -4.89 116.66 109.60 1sou n ARG 142 Ca -0.01 -0.81 -0.40 0.00 -0.92 0.00 0.00 57.85 55.71 1sou n ARG 142 Cb 0.57 -1.12 -0.03 0.00 0.45 0.00 0.00 32.46 32.33 1sou n ARG 142 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 1sou s VAL 143 N -1.08 3.44 -1.84 5.15 1.01 -0.62 -4.80 120.40 121.65 1sou s VAL 143 Ca 0.09 0.33 0.19 0.00 0.00 0.00 0.00 61.98 62.59 1sou s VAL 143 Cb 0.08 -3.93 0.58 0.00 0.00 0.00 0.00 36.38 33.11 1sou s VAL 143 CO 0.18 -0.83 1.48 1.17 0.00 0.00 0.00 175.10 177.11 1sou n LYS 144 N 8.95 2.67 -1.08 2.72 4.81 -1.26 -4.91 118.16 130.06 1sou n LYS 144 Ca 0.20 -2.35 -0.19 0.00 -0.87 0.00 0.00 58.31 55.09 1sou n LYS 144 Cb 0.51 -1.56 0.14 0.00 0.02 0.00 0.00 35.03 34.13 1sou n LYS 144 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1sou n GLY 145 N 1.43 -1.77 3.55 3.14 0.00 -1.26 -4.91 105.19 105.38 1sou n GLY 145 Ca 0.22 -1.63 -0.39 0.00 0.00 0.00 0.00 46.02 44.22 1sou n GLY 145 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1sou s LEU 146 N 0.00 3.31 -0.69 0.99 2.96 -0.40 -4.91 118.68 119.94 1sou s LEU 146 Ca 0.49 0.46 -0.27 0.00 -0.22 0.00 0.00 54.13 54.58 1sou s LEU 146 Cb -0.02 -2.60 0.01 0.00 0.50 0.00 0.00 46.19 44.08 1sou s LEU 146 CO 0.35 -2.37 1.48 -0.54 -1.32 0.00 0.00 176.35 173.95 1sou s LYS 147 N 7.03 3.00 -0.35 1.98 1.02 -1.26 -2.18 119.74 128.98 1sou s LYS 147 Ca 0.70 0.06 -0.16 0.00 0.02 0.00 0.00 55.97 56.59 1sou s LYS 147 Cb -0.14 -4.25 -0.01 0.00 -0.52 0.00 0.00 37.83 32.91 1sou s LYS 147 CO 0.22 -2.35 0.40 0.08 -0.92 0.00 0.00 175.35 172.78 1sou s VAL 148 N 6.90 5.13 -0.21 3.17 1.01 0.19 -0.58 120.40 136.01 1sou s VAL 148 Ca 0.46 0.10 -0.17 0.00 0.00 0.00 0.00 61.98 62.37 1sou s VAL 148 Cb -0.10 -3.87 -0.04 0.00 0.00 0.00 0.00 36.38 32.38 1sou s VAL 148 CO 0.17 -0.14 0.45 -0.83 0.00 0.00 0.00 175.10 174.75 1sou s GLY 149 N 1.74 2.06 -0.32 4.51 0.00 0.44 -0.42 107.32 115.33 1sou s GLY 149 Ca 0.13 -0.50 -0.13 0.00 0.00 0.00 0.00 44.72 44.22 1sou s GLY 149 CO 0.12 0.95 0.26 0.14 0.00 0.00 0.00 173.10 174.56 1sou s VAL 150 N 1.53 5.27 0.11 1.40 1.01 -0.77 -0.62 120.40 128.33 1sou s VAL 150 Ca 0.21 -0.02 -0.09 0.00 0.00 0.00 0.00 61.98 62.08 1sou s VAL 150 Cb -0.15 -3.68 -0.00 0.00 0.00 0.00 0.00 36.38 32.54 1sou s VAL 150 CO 0.09 0.05 0.22 0.00 0.00 0.00 0.00 175.10 175.46 1sou s ALA 151 N 1.80 -0.17 0.24 5.51 0.00 -1.03 -4.24 121.76 123.87 1sou s ALA 151 Ca 0.08 -0.69 0.00 0.00 0.00 0.00 0.00 51.96 51.35 1sou s ALA 151 Cb -0.17 0.60 -0.04 0.00 0.00 0.00 0.00 23.12 23.51 1sou s ALA 151 CO 0.11 -0.55 0.42 0.71 0.00 0.00 0.00 175.76 176.45 1sou s TYR 152 N -3.89 3.48 0.44 0.00 2.02 -1.26 -4.23 117.35 113.90 1sou s TYR 152 Ca 0.08 0.30 0.12 0.00 -0.37 0.00 0.00 57.07 57.21 1sou s TYR 152 Cb 0.04 -1.83 0.96 0.00 -0.40 0.00 0.00 41.96 40.73 1sou s TYR 152 CO -0.08 0.33 2.01 0.66 -1.57 0.00 0.00 175.55 176.90 1sou h SER 153 N 1.64 0.16 0.56 2.29 4.64 -1.96 -0.13 113.55 120.76 1sou h SER 153 Ca -0.49 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 60.81 1sou h SER 153 Cb 1.20 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 1sou h SER 153 CO 0.66 0.24 0.00 2.22 -0.87 0.00 0.00 176.83 179.08 1sou n PHE 154 N -4.38 0.00 0.95 4.77 1.16 -1.26 -2.33 117.46 116.37 1sou n PHE 154 Ca -0.01 0.00 0.10 0.00 -1.87 0.00 0.00 57.45 55.67 1sou n PHE 154 Cb 0.19 -0.31 -0.04 0.00 -1.61 0.00 0.00 39.48 37.71 1sou n PHE 154 CO 0.00 0.00 0.00 0.94 -1.87 0.00 0.00 176.76 175.83 1sou n GLN 155 N -1.31 1.03 -3.55 3.97 7.27 -0.09 -4.86 117.38 119.84 1sou n GLN 155 Ca 0.12 -0.70 -0.40 0.00 0.07 0.00 0.00 57.00 56.09 1sou n GLN 155 Cb 0.23 -1.45 -0.11 0.00 2.41 0.00 0.00 30.24 31.33 1sou n GLN 155 CO 0.00 0.00 0.00 0.08 0.07 0.00 0.00 177.06 177.21 1sou s VAL 156 N -2.53 5.21 0.00 1.69 1.01 -0.98 -1.21 120.40 123.59 1sou s VAL 156 Ca 0.15 -0.22 0.00 0.00 0.00 0.00 0.00 61.98 61.91 1sou s VAL 156 Cb 0.17 -3.66 0.00 0.00 0.00 0.00 0.00 36.38 32.88 1sou s VAL 156 CO 0.62 0.01 0.00 0.49 0.00 0.00 0.00 175.10 176.23 1sou n PHE 157 N 5.09 -0.61 0.05 5.22 3.72 0.46 -4.93 117.46 126.46 1sou n PHE 157 Ca -0.13 0.00 -0.02 0.00 -0.05 0.00 0.00 57.45 57.25 1sou n PHE 157 Cb 0.50 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 39.03 1sou n PHE 157 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 176.76 178.20 1sou h GLU 158 N 0.00 -0.14 -3.15 -1.08 4.81 -1.92 -1.93 114.58 111.17 1sou h GLU 158 Ca 0.00 0.01 -0.20 0.00 -0.13 0.00 0.00 59.36 59.04 1sou h GLU 158 Cb 0.00 0.03 -0.29 0.00 0.63 0.00 0.00 28.75 29.12 1sou h GLU 158 CO 0.00 -0.09 -0.52 0.50 -0.73 0.00 0.00 179.01 178.17 1sou s ARG 159 N -2.41 0.18 -0.07 1.92 6.06 -1.26 -2.31 118.95 121.06 1sou s ARG 159 Ca -0.02 0.42 -0.11 0.00 -2.50 0.00 0.00 55.73 53.52 1sou s ARG 159 Cb 0.00 -0.08 -0.05 0.00 0.06 0.00 0.00 34.95 34.89 1sou s ARG 159 CO 0.06 -0.13 0.28 -0.51 -2.50 0.00 0.00 175.30 172.51 1sou s LEU 160 N 0.94 4.41 -0.65 -0.88 1.43 -1.26 -5.00 118.68 117.68 1sou s LEU 160 Ca -0.07 0.70 -0.27 0.00 -1.03 0.00 0.00 54.13 53.46 1sou s LEU 160 Cb -0.08 -2.34 0.01 0.00 0.03 0.00 0.00 46.19 43.81 1sou s LEU 160 CO -0.06 0.34 1.46 -2.84 0.23 0.00 0.00 176.35 175.48 1sou s PRO 161 N -0.88 3.10 0.06 1.29 0.02 -1.26 -5.00 135.00 132.34 1sou s PRO 161 Ca 0.19 0.21 0.04 0.00 0.02 0.00 0.00 61.00 61.45 1sou s PRO 161 Cb -0.14 -4.21 -0.04 0.00 0.02 0.00 0.00 34.50 30.13 1sou s PRO 161 CO 0.08 -2.20 0.02 -0.98 -0.33 0.00 0.00 177.00 173.59 1sou s ARG 162 N 5.95 2.69 0.00 5.54 1.70 -1.26 -4.96 118.95 128.61 1sou s ARG 162 Ca 0.49 -0.74 0.00 0.00 -0.47 0.00 0.00 55.73 55.00 1sou s ARG 162 Cb -0.10 -2.62 0.00 0.00 -0.57 0.00 0.00 34.95 31.66 1sou s ARG 162 CO 0.20 0.57 0.00 -0.25 -1.08 0.00 0.00 175.30 174.74 1sou n ASP 163 N 0.75 0.00 0.30 -2.89 9.92 -1.26 -4.94 116.55 118.42 1sou n ASP 163 Ca -0.11 0.00 0.16 0.00 -0.53 0.00 0.00 54.79 54.31 1sou n ASP 163 Cb 0.52 0.00 0.93 0.00 -0.64 0.00 0.00 41.12 41.93 1sou n ASP 163 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1sou h ALA 164 N 0.48 1.33 -0.67 2.24 0.00 -2.06 -3.12 119.26 117.46 1sou h ALA 164 Ca 0.00 -0.03 -0.74 0.00 0.00 0.00 0.00 54.91 54.14 1sou h ALA 164 Cb 0.00 -0.01 -0.12 0.00 0.00 0.00 0.00 17.79 17.66 1sou h ALA 164 CO 0.00 0.04 2.38 0.91 0.00 0.00 0.00 179.25 182.58 1sou n TRP 165 N -3.60 2.92 0.00 0.00 8.01 -1.26 -4.76 117.44 118.75 1sou n TRP 165 Ca -0.03 -2.84 0.00 0.00 -1.31 0.00 0.00 57.50 53.33 1sou n TRP 165 Cb 0.13 -2.05 0.00 0.00 -2.01 0.00 0.00 31.31 27.38 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 3.80 0.00 -3.44 -0.99 2.03 -1.18 -4.87 116.55 111.89 1sou n ASP 166 Ca 0.48 0.79 -0.33 0.00 0.52 0.00 0.00 54.79 56.25 1sou n ASP 166 Cb 0.34 -0.29 0.03 0.00 -0.72 0.00 0.00 41.12 40.48 1sou n ASP 166 CO 0.00 0.00 0.00 -0.38 -1.92 0.00 0.00 177.20 174.90 1sou n ILE 167 N -1.40 -3.98 -2.59 5.18 5.41 -1.26 -4.04 119.36 116.69 1sou n ILE 167 Ca 0.00 0.18 -0.25 0.00 1.00 0.00 0.00 62.75 63.68 1sou n ILE 167 Cb 0.00 -3.63 0.03 0.00 -0.71 0.00 0.00 39.64 35.33 1sou n ILE 167 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 1sou s PRO 168 N -2.26 2.88 0.77 0.38 0.04 -1.26 -0.81 135.00 134.74 1sou s PRO 168 Ca 0.33 -0.24 -0.04 0.00 0.04 0.00 0.00 61.00 61.09 1sou s PRO 168 Cb -0.04 -2.37 0.14 0.00 0.04 0.00 0.00 34.50 32.27 1sou s PRO 168 CO 0.76 -0.60 1.06 0.14 0.04 0.00 0.00 177.00 178.40 1sou s VAL 169 N -2.85 2.10 -0.11 -0.36 -7.23 -0.45 -4.85 120.40 106.64 1sou s VAL 169 Ca 0.53 -0.48 -0.01 0.00 -1.81 0.00 0.00 61.98 60.21 1sou s VAL 169 Cb -0.10 -2.62 -0.06 0.00 0.56 0.00 0.00 36.38 34.15 1sou s VAL 169 CO 0.42 0.00 -0.11 -0.67 -0.31 0.00 0.00 175.10 174.43 1sou n ASP 170 N -3.02 2.40 -3.89 4.85 2.03 0.26 -4.90 116.55 114.27 1sou n ASP 170 Ca 0.15 0.01 -0.25 0.00 0.52 0.00 0.00 54.79 55.22 1sou n ASP 170 Cb 0.60 -0.22 -0.17 0.00 -0.72 0.00 0.00 41.12 40.61 1sou n ASP 170 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1sou s VAL 171 N -2.21 0.83 -0.40 5.18 1.01 -0.04 -2.67 120.40 122.10 1sou s VAL 171 Ca -0.15 -0.19 -0.13 0.00 0.00 0.00 0.00 61.98 61.50 1sou s VAL 171 Cb 0.05 -0.87 0.02 0.00 0.00 0.00 0.00 36.38 35.58 1sou s VAL 171 CO 0.23 0.32 0.26 -0.22 0.00 0.00 0.00 175.10 175.70 1sou s LEU 172 N 1.55 4.96 -0.24 3.92 2.96 0.09 -0.42 118.68 131.50 1sou s LEU 172 Ca 0.01 -0.95 -0.12 0.00 -0.22 0.00 0.00 54.13 52.84 1sou s LEU 172 Cb -0.13 -2.10 -0.05 0.00 0.50 0.00 0.00 46.19 44.41 1sou s LEU 172 CO -0.05 -0.43 0.25 -0.69 -1.32 0.00 0.00 176.35 174.11 1sou s VAL 173 N 1.62 5.29 0.43 1.68 1.01 0.21 -0.41 120.40 130.24 1sou s VAL 173 Ca 0.04 0.35 0.02 0.00 0.00 0.00 0.00 61.98 62.38 1sou s VAL 173 Cb -0.19 -3.58 0.02 0.00 0.00 0.00 0.00 36.38 32.62 1sou s VAL 173 CO 0.08 0.28 0.13 0.41 0.00 0.00 0.00 175.10 176.01 1sou n THR 174 N 4.52 0.00 0.08 3.92 -1.04 -0.75 -2.46 114.28 118.54 1sou n THR 174 Ca -0.12 -1.89 -0.00 0.00 -2.04 0.00 0.00 64.05 60.00 1sou n THR 174 Cb 0.52 0.20 -0.05 0.00 -1.82 0.00 0.00 70.33 69.18 1sou n THR 174 CO 0.00 0.00 0.00 1.05 -0.64 0.00 0.00 175.07 175.48 1sou h GLU 175 N 0.00 0.00 0.05 -2.82 9.09 -1.93 -3.35 114.58 115.61 1sou h GLU 175 Ca -0.32 0.00 -0.33 0.00 0.05 0.00 0.00 59.36 58.76 1sou h GLU 175 Cb 1.04 0.00 -0.04 0.00 -1.65 0.00 0.00 28.75 28.10 1sou h GLU 175 CO 0.52 0.49 -1.89 1.63 0.05 0.00 0.00 179.01 179.81 1sou n LYS 176 N -3.10 0.69 -3.93 1.06 5.02 -1.26 -4.79 118.16 111.84 1sou n LYS 176 Ca -0.04 0.26 -0.09 0.00 -2.02 0.00 0.00 58.31 56.42 1sou n LYS 176 Cb 0.82 -1.73 -0.03 0.00 -0.02 0.00 0.00 35.03 34.07 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 -6.43 -0.07 -0.29 4.39 3.84 -1.26 -5.14 114.94 109.98 1sou s ASN 177 Ca -0.13 -0.88 -0.03 0.00 0.21 0.00 0.00 52.86 52.03 1sou s ASN 177 Cb 0.07 0.68 0.04 0.00 -0.55 0.00 0.00 41.25 41.49 1sou s ASN 177 CO 0.80 -1.29 0.01 -0.69 -2.79 0.00 0.00 177.10 173.13 1sou s VAL 178 N -3.71 3.15 -0.75 -5.21 1.01 -1.26 -1.82 120.40 111.82 1sou s VAL 178 Ca 0.18 -1.22 -0.21 0.00 0.00 0.00 0.00 61.98 60.74 1sou s VAL 178 Cb -0.03 -2.75 0.10 0.00 0.00 0.00 0.00 36.38 33.70 1sou s VAL 178 CO 0.09 -0.04 0.99 -0.60 0.00 0.00 0.00 175.10 175.55 1sou s ARG 179 N 1.31 3.28 -0.35 2.72 3.52 0.46 -4.99 118.95 124.90 1sou s ARG 179 Ca -0.03 -1.25 -0.29 0.00 -0.13 0.00 0.00 55.73 54.03 1sou s ARG 179 Cb -0.19 -4.49 0.02 0.00 -1.56 0.00 0.00 34.95 28.73 1sou s ARG 179 CO -0.01 -1.76 1.09 1.03 -0.81 0.00 0.00 175.30 174.84 1sou s ARG 180 N 3.36 4.00 -0.25 5.12 1.81 -1.26 -0.73 118.95 131.00 1sou s ARG 180 Ca 0.24 0.99 -0.10 0.00 -1.72 0.00 0.00 55.73 55.14 1sou s ARG 180 Cb -0.13 -3.77 -0.15 0.00 -0.45 0.00 0.00 34.95 30.44 1sou s ARG 180 CO 0.02 -0.99 -0.20 1.28 -0.68 0.00 0.00 175.30 174.73 1sou n LEU 181 N 7.07 2.25 -4.51 2.53 4.77 -1.12 -4.77 117.00 123.23 1sou n LEU 181 Ca 0.12 0.22 -0.42 0.00 -0.03 0.00 0.00 56.01 55.90 1sou n LEU 181 Cb 0.47 -0.88 -0.03 0.00 -2.33 0.00 0.00 43.42 40.65 1sou n LEU 181 CO 0.62 0.65 1.10 -0.60 -1.33 0.00 0.00 177.39 177.82 1sou s ARG 182 N -2.50 3.33 0.00 3.23 3.52 -1.09 -4.98 118.95 120.47 1sou s ARG 182 Ca -0.36 -0.88 0.00 0.00 -0.13 0.00 0.00 55.73 54.37 1sou s ARG 182 Cb 0.12 -4.61 0.00 0.00 -1.56 0.00 0.00 34.95 28.90 1sou s ARG 182 CO 0.55 -2.01 0.00 -0.40 -0.81 0.00 0.00 175.30 172.63 1sou n ASP 183 N 8.31 0.08 -1.82 -2.12 5.75 -1.26 -4.95 116.55 120.55 1sou n ASP 183 Ca 0.12 -0.04 -0.06 0.00 -0.01 0.00 0.00 54.79 54.79 1sou n ASP 183 Cb 0.48 0.00 -0.09 0.00 -1.03 0.00 0.00 41.12 40.48 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 5.00 2.67 3.55 6.12 0.00 -1.26 -4.84 105.19 116.43 1sou n GLY 184 Ca 0.00 -0.65 -0.38 0.00 0.00 0.00 0.00 46.02 44.99 1sou n GLY 184 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1sou s ARG 185 N 0.69 2.85 -0.11 1.61 0.52 -1.26 -4.93 118.95 118.32 1sou s ARG 185 Ca 0.36 0.11 -0.12 0.00 -0.52 0.00 0.00 55.73 55.57 1sou s ARG 185 Cb 0.17 -4.49 0.03 0.00 0.52 0.00 0.00 34.95 31.18 1sou s ARG 185 CO 0.00 -2.61 0.32 -1.12 0.02 0.00 0.00 175.30 171.91 1sou s SER 186 N 6.62 -0.31 -0.05 0.23 0.01 -1.26 -5.16 113.70 113.76 1sou s SER 186 Ca 0.57 0.57 0.04 0.00 1.31 0.00 0.00 55.95 58.43 1sou s SER 186 Cb -0.10 0.61 0.00 0.00 0.21 0.00 0.00 66.02 66.75 1sou s SER 186 CO 0.14 -0.16 -0.17 -0.76 0.41 0.00 0.00 173.24 172.69 1sou s LEU 187 N -0.06 1.88 0.35 2.44 1.43 -1.26 -5.09 118.68 118.37 1sou s LEU 187 Ca -0.02 -0.37 0.00 0.00 -1.03 0.00 0.00 54.13 52.71 1sou s LEU 187 Cb -0.03 -1.00 0.00 0.00 0.03 0.00 0.00 46.19 45.19 1sou s LEU 187 CO 0.01 0.13 0.00 -0.62 0.23 0.00 0.00 176.35 176.10 1sou n GLU 188 N 3.32 -2.03 -3.08 1.70 -0.58 -1.26 -4.75 120.64 113.97 1sou n GLU 188 Ca -0.19 1.59 -0.43 0.00 -0.42 0.00 0.00 57.16 57.70 1sou n GLU 188 Cb 0.53 -2.40 -0.06 0.00 -0.57 0.00 0.00 31.44 28.94 1sou n GLU 188 CO 0.00 0.00 0.00 -3.38 -0.48 0.00 0.00 177.13 173.27 1sou s HIS 189 N -3.26 3.00 -0.21 -0.32 -3.43 -1.26 -4.87 115.29 104.94 1sou s HIS 189 Ca 0.00 -0.32 0.15 0.00 -0.80 0.00 0.00 55.06 54.10 1sou s HIS 189 Cb 0.00 -3.59 0.64 0.00 -1.43 0.00 0.00 32.58 28.20 1sou s HIS 189 CO 0.00 -1.05 1.55 0.72 -2.00 0.00 0.00 174.74 173.96 1sou n HIS 190 N 6.44 1.41 -3.48 0.38 8.25 -1.26 -4.62 115.22 122.33 1sou n HIS 190 Ca -0.04 -0.86 -0.27 0.00 -0.26 0.00 0.00 57.72 56.30 1sou n HIS 190 Cb 0.46 -0.40 -0.09 0.00 1.12 0.00 0.00 29.99 31.08 1sou n HIS 190 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1sou n HIS 191 N -0.12 2.19 0.49 4.41 8.25 -1.26 -4.87 115.22 124.31 1sou n HIS 191 Ca 0.25 -3.97 0.11 0.00 -0.26 0.00 0.00 57.72 53.85 1sou n HIS 191 Cb 1.03 -0.44 -0.00 0.00 1.12 0.00 0.00 29.99 31.70 1sou n HIS 191 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 1sou n HIS 192 N 1.46 0.30 -0.11 4.41 -0.00 -1.26 -4.28 115.22 115.73 1sou n HIS 192 Ca 0.26 0.09 -0.24 0.00 0.46 0.00 0.00 57.72 58.28 1sou n HIS 192 Cb 0.43 -0.48 -0.11 0.00 -0.12 0.00 0.00 29.99 29.71 1sou n HIS 192 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 1sou n HIS 193 N -2.04 0.50 -1.96 1.57 8.25 -1.26 -5.28 115.22 115.00 1sou n HIS 193 Ca 0.01 0.18 0.00 0.00 -0.26 0.00 0.00 57.72 57.65 1sou n HIS 193 Cb 0.46 -1.06 0.00 0.00 1.12 0.00 0.00 29.99 30.51 1sou n HIS 193 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70