#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 4.34 0.39 4.03 1.43 -1.26 -4.98 118.68 122.62 1sou s LEU 2 Ca 0.00 0.78 0.12 0.00 -1.03 0.00 0.00 54.13 54.00 1sou s LEU 2 Cb 0.00 -2.57 0.79 0.00 0.03 0.00 0.00 46.19 44.44 1sou s LEU 2 CO 0.00 0.14 1.88 0.11 0.23 0.00 0.00 176.35 178.71 1sou h LYS 3 N 6.00 0.07 0.00 1.70 1.57 -2.00 0.25 116.57 124.16 1sou h LYS 3 Ca -0.45 -0.02 -0.24 0.00 -1.87 0.00 0.00 60.65 58.07 1sou h LYS 3 Cb 1.19 -0.01 -0.04 0.00 0.08 0.00 0.00 32.23 33.46 1sou h LYS 3 CO 0.70 0.34 -1.22 0.77 -0.57 0.00 0.00 179.45 179.48 1sou h SER 4 N 0.07 0.01 -0.27 0.86 0.02 -1.94 -1.31 113.55 110.98 1sou h SER 4 Ca 0.01 -0.01 -0.13 0.00 -0.84 0.00 0.00 61.79 60.82 1sou h SER 4 Cb 0.52 -0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.05 1sou h SER 4 CO 0.04 1.01 -0.34 -0.08 -1.14 0.00 0.00 176.83 176.31 1sou h GLU 5 N 0.00 0.71 -0.91 3.45 4.22 -1.84 -1.19 114.58 119.03 1sou h GLU 5 Ca -0.10 -0.40 -0.02 0.00 0.08 0.00 0.00 59.36 58.92 1sou h GLU 5 Cb 1.85 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 31.08 1sou h GLU 5 CO 0.12 1.02 0.50 1.25 -2.18 0.00 0.00 179.01 179.72 1sou h LEU 6 N 0.45 1.13 -1.20 1.64 5.85 -0.59 -2.00 115.31 120.59 1sou h LEU 6 Ca 0.03 -0.09 0.04 0.00 0.84 0.00 0.00 57.88 58.69 1sou h LEU 6 Cb 0.93 -0.29 -0.05 0.00 0.37 0.00 0.00 40.66 41.62 1sou h LEU 6 CO 0.08 0.90 0.55 -0.09 -0.34 0.00 0.00 178.44 179.54 1sou h ARG 7 N 1.27 1.01 -0.55 1.25 2.43 -0.96 -1.86 114.38 116.97 1sou h ARG 7 Ca 0.32 -0.06 -0.08 0.00 -0.81 0.00 0.00 59.98 59.35 1sou h ARG 7 Cb 0.01 -0.23 -0.02 0.00 -0.42 0.00 0.00 29.97 29.31 1sou h ARG 7 CO -0.05 0.67 0.01 -0.22 -1.51 0.00 0.00 179.97 178.87 1sou h LYS 8 N 1.04 0.93 -0.51 0.20 3.64 -0.50 0.13 116.57 121.50 1sou h LYS 8 Ca 0.33 -0.26 -0.03 0.00 -1.27 0.00 0.00 60.65 59.42 1sou h LYS 8 Cb 0.03 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 31.73 1sou h LYS 8 CO -0.10 0.91 0.22 0.87 -2.27 0.00 0.00 179.45 179.08 1sou h LYS 9 N 0.86 0.75 -0.07 1.90 1.57 -0.87 -0.09 116.57 120.62 1sou h LYS 9 Ca 0.16 -0.13 -0.02 0.00 -1.87 0.00 0.00 60.65 58.80 1sou h LYS 9 Cb 0.49 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.67 1sou h LYS 9 CO 0.02 0.65 -0.02 0.28 -0.57 0.00 0.00 179.45 179.82 1sou h VAL 10 N 0.68 1.30 -0.49 0.50 2.07 -1.13 -2.48 116.25 116.69 1sou h VAL 10 Ca 0.17 -0.94 0.09 0.00 0.82 0.00 0.00 66.70 66.84 1sou h VAL 10 Cb 0.17 1.79 -0.07 0.00 -1.52 0.00 0.00 31.29 31.66 1sou h VAL 10 CO -0.02 0.26 0.07 0.25 0.02 0.00 0.00 177.57 178.16 1sou h LEU 11 N -0.22 -0.05 0.06 2.57 6.46 -0.65 0.27 115.31 123.75 1sou h LEU 11 Ca 0.02 0.10 0.01 0.00 -0.12 0.00 0.00 57.88 57.88 1sou h LEU 11 Cb 0.42 0.14 -0.01 0.00 -0.73 0.00 0.00 40.66 40.48 1sou h LEU 11 CO 0.01 0.00 -0.08 -0.74 -0.62 0.00 0.00 178.44 177.00 1sou h HIS 12 N 0.20 -0.22 -0.52 1.25 2.76 -0.98 -2.76 115.15 114.88 1sou h HIS 12 Ca 0.25 0.00 -0.10 0.00 -2.20 0.00 0.00 60.37 58.33 1sou h HIS 12 Cb 0.35 0.09 -0.02 0.00 1.55 0.00 0.00 27.41 29.37 1sou h HIS 12 CO -0.25 -0.13 -0.06 -0.22 -1.30 0.00 0.00 177.93 175.97 1sou h LYS 13 N -0.18 0.94 -0.12 5.26 3.64 -0.95 -2.22 116.57 122.94 1sou h LYS 13 Ca 0.01 -0.31 0.02 0.00 -1.27 0.00 0.00 60.65 59.11 1sou h LYS 13 Cb 0.18 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 31.90 1sou h LYS 13 CO -0.04 0.96 -0.01 -0.09 -2.27 0.00 0.00 179.45 178.00 1sou h ARG 14 N 0.85 0.03 -0.01 1.90 2.43 -0.81 -2.31 114.38 116.47 1sou h ARG 14 Ca 0.15 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.31 1sou h ARG 14 Cb 0.58 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.12 1sou h ARG 14 CO 0.04 0.02 -0.03 0.44 -1.51 0.00 0.00 179.97 178.93 1sou n ILE 15 N -5.13 0.00 0.99 1.20 -5.35 -1.06 -3.21 119.36 106.80 1sou n ILE 15 Ca -0.04 -0.16 0.12 0.00 -0.27 0.00 0.00 62.75 62.40 1sou n ILE 15 Cb 0.08 0.18 0.27 0.00 -1.74 0.00 0.00 39.64 38.43 1sou n ILE 15 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 1sou n ASN 16 N -0.30 0.47 -4.75 7.28 5.03 -0.84 -4.88 115.26 117.28 1sou n ASN 16 Ca 0.19 -0.19 -0.41 0.00 0.87 0.00 0.00 54.58 55.04 1sou n ASN 16 Cb 0.28 0.20 -0.02 0.00 -1.02 0.00 0.00 39.78 39.23 1sou n ASN 16 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1sou s LEU 17 N -3.03 4.39 0.74 3.41 1.43 -1.14 -4.97 118.68 119.50 1sou s LEU 17 Ca 0.11 2.70 -0.13 0.00 -1.03 0.00 0.00 54.13 55.78 1sou s LEU 17 Cb 0.17 -3.63 0.04 0.00 0.03 0.00 0.00 46.19 42.81 1sou s LEU 17 CO 0.69 -0.69 1.13 -0.55 0.23 0.00 0.00 176.35 177.16 1sou s SER 18 N 0.18 4.45 0.05 2.29 0.15 -1.26 -4.80 113.70 114.77 1sou s SER 18 Ca 0.57 2.04 -0.29 0.00 0.70 0.00 0.00 55.95 58.97 1sou s SER 18 Cb -0.42 -2.55 -0.18 0.00 -1.71 0.00 0.00 66.02 61.16 1sou s SER 18 CO 0.46 -2.07 1.52 -0.33 1.20 0.00 0.00 173.24 174.02 1sou h GLU 19 N -0.63 -0.61 -0.51 5.44 5.08 -1.98 0.13 114.58 121.49 1sou h GLU 19 Ca -0.45 0.04 0.05 0.00 -1.00 0.00 0.00 59.36 58.00 1sou h GLU 19 Cb 1.25 0.14 -0.05 0.00 0.50 0.00 0.00 28.75 30.60 1sou h GLU 19 CO 0.51 -0.35 0.25 0.93 -1.00 0.00 0.00 179.01 179.34 1sou h GLU 20 N -0.74 0.47 -0.32 2.33 3.07 -1.99 0.33 114.58 117.74 1sou h GLU 20 Ca -0.06 -0.03 -0.03 0.00 -0.50 0.00 0.00 59.36 58.73 1sou h GLU 20 Cb 0.54 -0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 28.33 1sou h GLU 20 CO 0.11 0.31 0.07 1.49 -1.40 0.00 0.00 179.01 179.59 1sou h GLU 21 N 0.49 0.51 -0.33 2.33 4.57 -1.93 -2.27 114.58 117.95 1sou h GLU 21 Ca 0.23 -0.13 -0.01 0.00 -1.18 0.00 0.00 59.36 58.27 1sou h GLU 21 Cb 0.16 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 28.67 1sou h GLU 21 CO -0.17 0.59 0.15 -0.09 -1.18 0.00 0.00 179.01 178.31 1sou h ARG 22 N 0.35 0.48 -0.68 1.92 2.43 -0.19 -2.42 114.38 116.26 1sou h ARG 22 Ca 0.10 -0.08 0.01 0.00 -0.81 0.00 0.00 59.98 59.20 1sou h ARG 22 Cb 0.31 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.75 1sou h ARG 22 CO 0.00 0.45 0.45 -0.09 -1.51 0.00 0.00 179.97 179.28 1sou h ARG 23 N 0.39 0.90 -0.65 0.20 9.65 -0.30 0.16 114.38 124.73 1sou h ARG 23 Ca 0.11 -0.06 -0.05 0.00 -1.10 0.00 0.00 59.98 58.88 1sou h ARG 23 Cb 0.14 -0.20 -0.03 0.00 -1.39 0.00 0.00 29.97 28.49 1sou h ARG 23 CO -0.01 0.60 0.19 -0.09 2.80 0.00 0.00 179.97 183.46 1sou h ARG 24 N 0.93 0.99 0.06 0.20 9.65 -1.06 0.13 114.38 125.29 1sou h ARG 24 Ca 0.25 -0.20 -0.00 0.00 -1.10 0.00 0.00 59.98 58.92 1sou h ARG 24 Cb -0.10 -0.15 0.00 0.00 -1.39 0.00 0.00 29.97 28.33 1sou h ARG 24 CO -0.05 0.86 -0.03 -0.07 2.80 0.00 0.00 179.97 183.48 1sou h LEU 25 N 0.96 -0.07 -1.31 3.80 3.38 -0.70 -2.81 115.31 118.56 1sou h LEU 25 Ca 0.21 -0.42 -0.03 0.00 0.09 0.00 0.00 57.88 57.73 1sou h LEU 25 Cb 0.29 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 1sou h LEU 25 CO -0.01 0.40 0.13 0.28 0.09 0.00 0.00 178.44 179.33 1sou h SER 26 N -0.56 0.55 -0.89 -0.43 0.02 -0.66 -1.51 113.55 110.07 1sou h SER 26 Ca -0.01 -0.07 -0.01 0.00 -0.84 0.00 0.00 61.79 60.86 1sou h SER 26 Cb 0.49 -0.14 -0.04 0.00 0.14 0.00 0.00 62.40 62.84 1sou h SER 26 CO 0.01 0.53 0.51 -0.08 -1.14 0.00 0.00 176.83 176.66 1sou h GLU 27 N 0.60 1.22 -0.51 3.45 4.81 -0.75 0.16 114.58 123.56 1sou h GLU 27 Ca 0.14 -0.13 -0.09 0.00 -0.13 0.00 0.00 59.36 59.15 1sou h GLU 27 Cb 0.18 -0.25 -0.02 0.00 0.63 0.00 0.00 28.75 29.29 1sou h GLU 27 CO -0.01 0.88 -0.04 0.87 -0.73 0.00 0.00 179.01 179.98 1sou h LYS 28 N 1.24 0.89 -0.20 1.92 1.57 -1.03 0.29 116.57 121.25 1sou h LYS 28 Ca 0.32 -0.27 -0.01 0.00 -1.87 0.00 0.00 60.65 58.81 1sou h LYS 28 Cb -0.01 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.21 1sou h LYS 28 CO -0.05 0.91 0.07 0.28 -0.57 0.00 0.00 179.45 180.08 1sou h VAL 29 N 0.82 1.18 -0.18 0.50 2.07 -0.48 0.43 116.25 120.59 1sou h VAL 29 Ca 0.15 -0.56 0.00 0.00 0.82 0.00 0.00 66.70 67.11 1sou h VAL 29 Cb 0.54 1.18 -0.01 0.00 -1.52 0.00 0.00 31.29 31.47 1sou h VAL 29 CO 0.03 0.18 0.12 0.40 0.02 0.00 0.00 177.57 178.31 1sou h ILE 30 N 0.16 1.06 -0.87 4.57 2.04 -0.53 0.14 117.51 124.08 1sou h ILE 30 Ca 0.06 -0.14 -0.01 0.00 1.00 0.00 0.00 64.86 65.78 1sou h ILE 30 Cb 0.21 0.83 -0.04 0.00 -0.74 0.00 0.00 36.82 37.07 1sou h ILE 30 CO -0.00 0.06 0.52 -1.28 0.00 0.00 0.00 178.15 177.45 1sou h SER 31 N 0.23 1.05 0.27 1.72 0.87 -0.87 0.14 113.55 116.95 1sou h SER 31 Ca 0.07 -0.06 -0.01 0.00 -1.23 0.00 0.00 61.79 60.55 1sou h SER 31 Cb -0.00 -0.26 0.00 0.00 -0.44 0.00 0.00 62.40 61.70 1sou h SER 31 CO -0.01 0.80 -0.13 -1.13 -0.53 0.00 0.00 176.83 175.83 1sou h ASN 32 N 1.20 -0.30 -0.75 6.23 -1.24 -0.42 -1.82 115.58 118.48 1sou h ASN 32 Ca 0.31 -0.16 -0.05 0.00 0.71 0.00 0.00 56.30 57.12 1sou h ASN 32 Cb -0.05 0.08 -0.03 0.00 0.73 0.00 0.00 38.32 39.05 1sou h ASN 32 CO -0.06 -0.00 0.28 0.25 -1.29 0.00 0.00 177.43 176.61 1sou h LEU 33 N -0.62 1.04 -1.49 0.34 5.85 -0.58 -1.34 115.31 118.51 1sou h LEU 33 Ca -0.04 -0.18 -0.03 0.00 0.84 0.00 0.00 57.88 58.47 1sou h LEU 33 Cb 0.44 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.19 1sou h LEU 33 CO 0.06 0.94 0.01 0.50 -0.34 0.00 0.00 178.44 179.61 1sou h LYS 34 N 1.08 0.34 0.00 1.25 1.63 -0.72 -1.90 116.57 118.25 1sou h LYS 34 Ca 0.25 -0.05 0.00 0.00 -0.85 0.00 0.00 60.65 59.99 1sou h LYS 34 Cb 0.23 -0.06 0.00 0.00 -0.60 0.00 0.00 32.23 31.81 1sou h LYS 34 CO -0.02 0.36 -0.35 0.77 -3.45 0.00 0.00 179.45 176.76 1sou h SER 35 N 0.33 0.00 -1.56 4.20 0.02 -0.78 -3.44 113.55 112.32 1sou h SER 35 Ca 0.08 -0.00 -0.66 0.00 -0.84 0.00 0.00 61.79 60.36 1sou h SER 35 Cb 0.21 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.75 1sou h SER 35 CO 0.00 0.00 1.21 -0.11 -1.14 0.00 0.00 176.83 176.79 1sou n LEU 36 N -2.94 2.71 -0.09 5.07 0.00 -0.56 -4.83 117.00 116.37 1sou n LEU 36 Ca 0.03 0.73 0.17 0.00 0.00 0.00 0.00 56.01 56.93 1sou n LEU 36 Cb 0.53 -1.29 0.57 0.00 0.00 0.00 0.00 43.42 43.24 1sou n LEU 36 CO 0.36 -0.43 1.20 -0.65 0.00 0.00 0.00 177.39 177.86 1sou h PRO 37 N 10.41 0.25 0.00 1.96 0.11 -1.88 -0.56 132.00 142.29 1sou h PRO 37 Ca -0.39 -0.02 -0.15 0.00 0.11 0.00 0.00 66.00 65.55 1sou h PRO 37 Cb 1.30 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 32.33 1sou h PRO 37 CO 0.98 0.17 -0.90 0.93 -0.21 0.00 0.00 178.00 178.96 1sou h GLU 38 N 0.26 0.00 0.00 1.05 4.39 -1.94 -2.91 114.58 115.43 1sou h GLU 38 Ca 0.31 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.01 1sou h GLU 38 Cb 0.86 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.51 1sou h GLU 38 CO -0.07 0.51 0.00 0.34 -1.16 0.00 0.00 179.01 178.63 1sou n PHE 39 N -3.13 0.90 0.17 4.33 7.35 -0.31 -1.13 117.46 125.65 1sou n PHE 39 Ca -0.03 0.30 0.07 0.00 -0.76 0.00 0.00 57.45 57.03 1sou n PHE 39 Cb 0.81 -0.98 0.08 0.00 0.35 0.00 0.00 39.48 39.74 1sou n PHE 39 CO 0.00 0.00 0.00 -0.22 -0.76 0.00 0.00 176.76 175.78 1sou h LYS 40 N 0.00 0.00 0.00 -4.13 3.64 -1.12 -3.30 116.57 111.66 1sou h LYS 40 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1sou h LYS 40 Cb 0.59 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.41 1sou h LYS 40 CO 0.00 0.28 -1.00 1.63 -2.27 0.00 0.00 179.45 178.08 1sou n LYS 41 N -3.15 1.37 -1.97 1.90 5.02 -0.86 -5.01 118.16 115.46 1sou n LYS 41 Ca 0.03 -0.04 -0.36 0.00 -2.02 0.00 0.00 58.31 55.91 1sou n LYS 41 Cb 0.65 -1.30 0.04 0.00 -0.02 0.00 0.00 35.03 34.40 1sou n LYS 41 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1sou s SER 42 N -2.86 5.18 -0.02 4.39 1.04 -0.28 -4.99 113.70 116.16 1sou s SER 42 Ca 0.03 2.46 -0.04 0.00 0.48 0.00 0.00 55.95 58.89 1sou s SER 42 Cb 0.12 -2.61 -0.01 0.00 0.10 0.00 0.00 66.02 63.62 1sou s SER 42 CO 0.67 -1.61 -0.07 0.29 0.98 0.00 0.00 173.24 173.50 1sou n LYS 43 N -1.50 0.11 -2.99 4.02 4.76 -1.26 -4.88 118.16 116.43 1sou n LYS 43 Ca 0.13 0.04 -0.44 0.00 -2.87 0.00 0.00 58.31 55.18 1sou n LYS 43 Cb 0.49 -0.55 -0.03 0.00 -1.84 0.00 0.00 35.03 33.09 1sou n LYS 43 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1sou s LYS 44 N -1.61 3.32 -0.41 1.97 -0.14 -1.26 -1.90 119.74 119.71 1sou s LYS 44 Ca -0.06 -1.45 -0.13 0.00 -1.36 0.00 0.00 55.97 52.97 1sou s LYS 44 Cb 0.01 -4.52 0.04 0.00 -1.68 0.00 0.00 37.83 31.68 1sou s LYS 44 CO 0.09 -1.69 0.29 0.08 -0.76 0.00 0.00 175.35 173.36 1sou s VAL 45 N 2.86 4.89 -0.27 3.17 1.01 -0.68 -1.67 120.40 129.72 1sou s VAL 45 Ca 0.23 -0.92 -0.16 0.00 0.00 0.00 0.00 61.98 61.14 1sou s VAL 45 Cb -0.13 -3.81 -0.03 0.00 0.00 0.00 0.00 36.38 32.41 1sou s VAL 45 CO -0.00 -0.37 0.42 0.00 0.00 0.00 0.00 175.10 175.14 1sou s ALA 46 N 1.60 3.57 -0.18 5.51 0.00 0.34 -0.48 121.76 132.11 1sou s ALA 46 Ca 0.03 -0.76 -0.07 0.00 0.00 0.00 0.00 51.96 51.17 1sou s ALA 46 Cb -0.21 -2.77 -0.04 0.00 0.00 0.00 0.00 23.12 20.10 1sou s ALA 46 CO 0.07 -0.70 0.05 -0.51 0.00 0.00 0.00 175.76 174.68 1sou s LEU 47 N 2.15 3.74 0.00 0.00 1.43 -0.88 -0.67 118.68 124.44 1sou s LEU 47 Ca 0.17 0.05 0.28 0.00 -1.03 0.00 0.00 54.13 53.59 1sou s LEU 47 Cb -0.16 -1.94 1.58 0.00 0.03 0.00 0.00 46.19 45.70 1sou s LEU 47 CO 0.10 0.16 2.00 0.00 0.23 0.00 0.00 176.35 178.84 1sou n TYR 48 N 3.60 0.00 -2.29 0.29 9.36 -0.92 -4.48 117.16 122.71 1sou n TYR 48 Ca -0.17 0.00 -0.03 0.00 3.32 0.00 0.00 57.90 61.03 1sou n TYR 48 Cb 0.52 -0.10 -0.02 0.00 -0.63 0.00 0.00 39.34 39.11 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 -0.90 4.49 0.16 0.00 0.04 -1.26 -5.05 135.00 132.48 1sou s PRO 50 Ca -0.14 1.43 0.06 0.00 0.04 0.00 0.00 61.00 62.39 1sou s PRO 50 Cb 0.01 -3.49 -0.04 0.00 0.04 0.00 0.00 34.50 31.01 1sou s PRO 50 CO 0.56 -0.18 -0.12 0.96 0.04 0.00 0.00 177.00 178.26 1sou s ILE 51 N 1.44 1.39 0.00 0.56 -4.36 -1.26 -4.82 121.20 114.14 1sou s ILE 51 Ca 0.51 -2.03 0.00 0.00 -0.26 0.00 0.00 60.65 58.87 1sou s ILE 51 Cb -0.20 -1.84 0.00 0.00 1.25 0.00 0.00 42.46 41.67 1sou s ILE 51 CO 0.24 -0.63 0.00 0.29 0.24 0.00 0.00 174.94 175.08 1sou n LYS 52 N -0.09 0.00 -0.56 0.37 5.02 -1.26 -2.00 118.16 119.63 1sou n LYS 52 Ca -0.11 0.00 -0.01 0.00 -2.02 0.00 0.00 58.31 56.18 1sou n LYS 52 Cb 0.60 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 35.60 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 0.00 0.90 1.44 0.72 0.00 -1.26 -4.79 105.19 102.19 1sou n GLY 53 Ca 0.00 -0.01 -0.04 0.00 0.00 0.00 0.00 46.02 45.97 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 0.01 1.18 -1.61 1.61 -0.58 -0.85 -4.85 120.64 115.55 1sou n GLU 54 Ca -0.03 -0.38 0.00 0.00 -0.42 0.00 0.00 57.16 56.33 1sou n GLU 54 Cb 0.55 -1.15 0.00 0.00 -0.57 0.00 0.00 31.44 30.27 1sou n GLU 54 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1sou n VAL 55 N 0.88 -8.64 -2.16 2.62 0.31 -1.26 -4.71 118.33 105.37 1sou n VAL 55 Ca 0.07 1.89 -0.31 0.00 -0.01 0.00 0.00 64.34 65.99 1sou n VAL 55 Cb 0.56 -4.47 -0.05 0.00 -0.91 0.00 0.00 33.84 28.97 1sou n VAL 55 CO 0.00 0.00 0.00 1.51 -1.32 0.00 0.00 176.83 177.02 1sou s ASP 56 N -0.32 5.34 0.00 4.52 -4.77 -1.26 -4.61 116.67 115.56 1sou s ASP 56 Ca 0.00 -1.76 0.21 0.00 -3.30 0.00 0.00 52.55 47.70 1sou s ASP 56 Cb 0.00 -2.59 0.93 0.00 -1.09 0.00 0.00 42.92 40.18 1sou s ASP 56 CO 0.00 -2.75 1.64 0.18 0.70 0.00 0.00 175.17 174.95 1sou n LEU 57 N 13.35 1.03 -0.17 2.11 4.77 -1.26 -4.41 117.00 132.42 1sou n LEU 57 Ca 0.45 -0.42 -0.02 0.00 -0.03 0.00 0.00 56.01 55.99 1sou n LEU 57 Cb 0.47 -0.06 0.07 0.00 -2.33 0.00 0.00 43.42 41.57 1sou n LEU 57 CO 0.69 0.21 0.93 0.74 -1.33 0.00 0.00 177.39 178.63 1sou h THR 58 N 1.39 0.75 0.00 -5.08 2.02 -1.91 0.16 112.91 110.24 1sou h THR 58 Ca 0.00 -0.10 0.00 0.00 0.77 0.00 0.00 66.41 67.08 1sou h THR 58 Cb 0.30 0.44 0.00 0.00 -1.74 0.00 0.00 68.15 67.15 1sou h THR 58 CO 0.00 0.05 0.00 -0.81 0.37 0.00 0.00 175.52 175.13 1sou n PRO 59 N -5.07 0.05 0.03 6.66 -0.04 -1.26 -1.27 135.00 134.10 1sou n PRO 59 Ca 0.06 0.47 0.11 0.00 -0.04 0.00 0.00 63.50 64.11 1sou n PRO 59 Cb 0.24 -1.63 0.07 0.00 -0.04 0.00 0.00 33.50 32.13 1sou n PRO 59 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 1sou n LEU 60 N -1.73 0.63 -0.08 1.53 7.94 0.03 -4.22 117.00 121.10 1sou n LEU 60 Ca 0.01 0.03 -0.07 0.00 -1.11 0.00 0.00 56.01 54.86 1sou n LEU 60 Cb 0.06 -0.12 0.00 0.00 0.53 0.00 0.00 43.42 43.89 1sou n LEU 60 CO 0.07 0.03 0.90 -0.26 -1.11 0.00 0.00 177.39 177.02 1sou h PHE 61 N 0.00 0.12 -0.86 1.96 -1.00 -1.06 -1.86 116.94 114.25 1sou h PHE 61 Ca 0.00 0.02 0.20 0.00 2.81 0.00 0.00 57.97 61.00 1sou h PHE 61 Cb 0.71 -0.01 -0.06 0.00 3.61 0.00 0.00 35.95 40.21 1sou h PHE 61 CO 0.00 0.04 0.58 -1.35 -1.61 0.00 0.00 178.31 175.97 1sou h PRO 62 N 0.19 0.29 0.03 1.51 0.11 -1.74 0.16 132.00 132.55 1sou h PRO 62 Ca 0.14 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.23 1sou h PRO 62 Cb 0.14 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.18 1sou h PRO 62 CO -0.17 0.19 -0.02 0.93 -0.21 0.00 0.00 178.00 178.73 1sou h GLU 63 N 0.30 -0.04 -0.57 1.05 4.39 -1.60 -2.67 114.58 115.44 1sou h GLU 63 Ca 0.43 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 60.09 1sou h GLU 63 Cb 1.22 0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 29.85 1sou h GLU 63 CO -0.13 0.50 0.15 0.28 -1.16 0.00 0.00 179.01 178.66 1sou h VAL 64 N -0.62 1.23 0.00 3.13 2.07 -0.77 0.18 116.25 121.48 1sou h VAL 64 Ca -0.00 -0.81 -0.03 0.00 0.82 0.00 0.00 66.70 66.68 1sou h VAL 64 Cb 0.56 0.63 -0.00 0.00 -1.52 0.00 0.00 31.29 30.96 1sou h VAL 64 CO 0.01 0.30 -0.15 0.25 0.02 0.00 0.00 177.57 178.00 1sou h LEU 65 N 0.84 0.00 0.00 2.57 5.85 -0.75 -0.61 115.31 123.21 1sou h LEU 65 Ca 0.19 0.00 -0.20 0.00 0.84 0.00 0.00 57.88 58.70 1sou h LEU 65 Cb 0.28 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.28 1sou h LEU 65 CO -0.00 0.15 -1.37 1.17 -0.34 0.00 0.00 178.44 178.05 1sou n LYS 66 N -3.54 0.54 -0.06 1.25 4.81 -0.73 -4.07 118.16 116.36 1sou n LYS 66 Ca -0.01 0.44 -0.13 0.00 -0.87 0.00 0.00 58.31 57.74 1sou n LYS 66 Cb 0.30 -1.63 -0.12 0.00 0.02 0.00 0.00 35.03 33.60 1sou n LYS 66 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 1sou h GLU 67 N -1.00 -0.01 0.00 1.64 5.08 -1.07 -3.48 114.58 115.74 1sou h GLU 67 Ca -0.31 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 57.96 1sou h GLU 67 Cb 1.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.41 1sou h GLU 67 CO -0.19 0.86 -0.02 1.63 -1.00 0.00 0.00 179.01 180.30 1sou n LYS 68 N -4.66 0.96 -3.53 2.33 4.76 -0.23 -5.07 118.16 112.72 1sou n LYS 68 Ca -0.09 -0.58 -0.42 0.00 -2.87 0.00 0.00 58.31 54.35 1sou n LYS 68 Cb 0.42 -0.04 -0.09 0.00 -1.84 0.00 0.00 35.03 33.49 1sou n LYS 68 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 1sou s GLU 69 N -2.48 2.65 -0.34 1.97 2.02 -0.80 -4.56 118.70 117.16 1sou s GLU 69 Ca 0.11 -1.57 -0.29 0.00 0.02 0.00 0.00 54.97 53.24 1sou s GLU 69 Cb -0.01 -3.93 0.01 0.00 0.10 0.00 0.00 34.13 30.31 1sou s GLU 69 CO 0.07 -1.08 1.15 -1.17 0.02 0.00 0.00 175.26 174.25 1sou s LEU 70 N 1.45 3.87 -0.30 1.80 2.96 -0.46 -1.69 118.68 126.31 1sou s LEU 70 Ca 0.04 1.00 -0.11 0.00 -0.22 0.00 0.00 54.13 54.84 1sou s LEU 70 Cb -0.25 -3.54 -0.03 0.00 0.50 0.00 0.00 46.19 42.87 1sou s LEU 70 CO 0.02 -1.00 0.19 -0.63 -1.32 0.00 0.00 176.35 173.60 1sou s ILE 71 N 4.00 5.08 -0.05 6.68 1.01 0.37 -0.39 121.20 137.89 1sou s ILE 71 Ca 0.49 -0.08 0.03 0.00 0.00 0.00 0.00 60.65 61.09 1sou s ILE 71 Cb -0.13 -3.50 -0.03 0.00 0.01 0.00 0.00 42.46 38.82 1sou s ILE 71 CO 0.20 0.15 -0.13 -0.76 0.00 0.00 0.00 174.94 174.41 1sou s LEU 72 N 1.71 2.84 -0.16 2.97 1.43 0.09 -2.08 118.68 125.47 1sou s LEU 72 Ca 0.06 -0.15 -0.29 0.00 -1.03 0.00 0.00 54.13 52.72 1sou s LEU 72 Cb -0.16 -1.59 -0.02 0.00 0.03 0.00 0.00 46.19 44.45 1sou s LEU 72 CO 0.09 0.35 1.28 -2.84 0.23 0.00 0.00 176.35 175.46 1sou s PRO 73 N -0.75 4.23 0.16 1.29 0.02 -1.26 -0.82 135.00 137.87 1sou s PRO 73 Ca 0.12 1.68 0.10 0.00 0.02 0.00 0.00 61.00 62.91 1sou s PRO 73 Cb -0.11 -3.77 -0.04 0.00 0.02 0.00 0.00 34.50 30.60 1sou s PRO 73 CO 0.01 -0.71 -0.17 0.21 -0.33 0.00 0.00 177.00 176.00 1sou s LYS 74 N 3.51 1.78 -0.35 5.54 2.20 0.50 -4.84 119.74 128.08 1sou s LYS 74 Ca 0.55 -1.32 -0.13 0.00 -0.36 0.00 0.00 55.97 54.71 1sou s LYS 74 Cb -0.22 -2.04 -0.01 0.00 -1.51 0.00 0.00 37.83 34.05 1sou s LYS 74 CO 0.15 0.44 0.25 0.08 -0.36 0.00 0.00 175.35 175.91 1sou s VAL 75 N -1.49 5.26 -0.35 4.02 1.01 -1.26 -0.43 120.40 127.15 1sou s VAL 75 Ca 0.21 -0.29 -0.05 0.00 0.00 0.00 0.00 61.98 61.85 1sou s VAL 75 Cb -0.09 -3.74 0.06 0.00 0.00 0.00 0.00 36.38 32.61 1sou s VAL 75 CO 0.12 -0.06 0.11 -1.61 0.00 0.00 0.00 175.10 173.66 1sou s GLU 76 N 1.71 2.42 -1.27 2.72 0.41 0.18 -4.58 118.70 120.29 1sou s GLU 76 Ca 0.06 -1.38 -0.08 0.00 -0.41 0.00 0.00 54.97 53.16 1sou s GLU 76 Cb -0.18 -3.44 0.01 0.00 -1.78 0.00 0.00 34.13 28.74 1sou s GLU 76 CO 0.10 -0.78 1.00 0.41 -0.49 0.00 0.00 175.26 175.50 1sou n GLY 77 N 4.72 -0.42 2.53 -1.39 0.00 -1.26 -1.51 105.19 107.86 1sou n GLY 77 Ca -0.10 0.16 -0.10 0.00 0.00 0.00 0.00 46.02 45.98 1sou n GLY 77 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1sou n ASN 78 N -2.55 -4.90 -4.25 1.61 5.15 -1.26 -4.98 115.26 104.07 1sou n ASN 78 Ca -0.01 0.24 -0.30 0.00 -0.60 0.00 0.00 54.58 53.90 1sou n ASN 78 Cb 0.56 -3.24 -0.16 0.00 -0.53 0.00 0.00 39.78 36.41 1sou n ASN 78 CO 0.00 0.00 0.00 -0.70 1.40 0.00 0.00 177.26 177.96 1sou s GLU 79 N -2.60 2.31 0.15 1.20 2.12 -0.57 -5.11 118.70 116.20 1sou s GLU 79 Ca 0.00 -0.86 -0.30 0.00 0.36 0.00 0.00 54.97 54.18 1sou s GLU 79 Cb 0.00 -2.02 -0.07 0.00 0.26 0.00 0.00 34.13 32.31 1sou s GLU 79 CO 0.00 0.39 0.99 -1.50 -0.54 0.00 0.00 175.26 174.60 1sou s ILE 80 N -0.23 4.29 0.16 -3.70 2.07 -1.26 0.47 121.20 123.00 1sou s ILE 80 Ca -0.01 1.98 -0.01 0.00 -1.41 0.00 0.00 60.65 61.21 1sou s ILE 80 Cb -0.12 -4.26 -0.04 0.00 0.13 0.00 0.00 42.46 38.16 1sou s ILE 80 CO 0.02 0.34 0.09 -0.44 -1.91 0.00 0.00 174.94 173.05 1sou s SER 81 N -0.24 0.25 -0.14 4.50 0.01 0.42 -4.88 113.70 113.61 1sou s SER 81 Ca 0.46 -1.29 -0.03 0.00 1.31 0.00 0.00 55.95 56.41 1sou s SER 81 Cb -0.25 0.33 -0.03 0.00 0.21 0.00 0.00 66.02 66.29 1sou s SER 81 CO 0.31 -0.78 -0.05 -0.76 0.41 0.00 0.00 173.24 172.37 1sou s LEU 82 N -3.10 3.17 -0.16 2.44 1.43 -1.23 -0.37 118.68 120.86 1sou s LEU 82 Ca 0.31 -0.13 0.01 0.00 -1.03 0.00 0.00 54.13 53.28 1sou s LEU 82 Cb 0.07 -1.75 0.00 0.00 0.03 0.00 0.00 46.19 44.55 1sou s LEU 82 CO 0.07 0.20 -0.17 -0.31 0.23 0.00 0.00 176.35 176.36 1sou s TYR 83 N 0.17 2.76 -0.29 0.29 1.51 0.00 -0.40 117.35 121.39 1sou s TYR 83 Ca -0.03 -1.21 -0.17 0.00 -1.01 0.00 0.00 57.07 54.65 1sou s TYR 83 Cb -0.14 -1.89 -0.02 0.00 -0.11 0.00 0.00 41.96 39.80 1sou s TYR 83 CO 0.03 -0.57 0.48 0.50 -1.11 0.00 0.00 175.55 174.89 1sou s ARG 84 N 0.93 3.93 0.11 -0.62 3.52 0.51 -0.73 118.95 126.60 1sou s ARG 84 Ca -0.03 0.12 0.05 0.00 -0.13 0.00 0.00 55.73 55.74 1sou s ARG 84 Cb -0.15 -3.70 -0.04 0.00 -1.56 0.00 0.00 34.95 29.51 1sou s ARG 84 CO -0.03 -0.42 -0.13 0.14 -0.81 0.00 0.00 175.30 174.05 1sou s VAL 85 N 2.28 1.22 -0.37 7.11 -7.23 0.48 -2.62 120.40 121.27 1sou s VAL 85 Ca 0.19 -1.69 0.09 0.00 -1.81 0.00 0.00 61.98 58.76 1sou s VAL 85 Cb -0.16 -1.47 0.35 0.00 0.56 0.00 0.00 36.38 35.66 1sou s VAL 85 CO 0.11 -0.45 1.34 0.00 -0.31 0.00 0.00 175.10 175.78 1sou n HIS 86 N 0.56 -2.10 -3.57 2.82 1.44 -1.26 -1.35 115.22 111.76 1sou n HIS 86 Ca -0.16 -1.70 -0.11 0.00 -2.01 0.00 0.00 57.72 53.75 1sou n HIS 86 Cb 0.57 1.53 -0.04 0.00 0.12 0.00 0.00 29.99 32.17 1sou n HIS 86 CO 0.00 0.00 0.00 -1.12 -2.81 0.00 0.00 176.34 172.41 1sou s SER 87 N -1.04 -0.35 0.98 4.39 0.01 -1.26 -4.75 113.70 111.68 1sou s SER 87 Ca 0.17 -0.22 -0.12 0.00 1.31 0.00 0.00 55.95 57.09 1sou s SER 87 Cb 0.36 0.53 0.18 0.00 0.21 0.00 0.00 66.02 67.29 1sou s SER 87 CO -0.09 -0.91 1.08 -2.16 0.41 0.00 0.00 173.24 171.58 1sou s PRO 88 N -3.79 0.57 3.18 12.44 0.04 -1.26 -4.85 135.00 141.34 1sou s PRO 88 Ca 0.03 0.79 0.00 0.00 0.04 0.00 0.00 61.00 61.86 1sou s PRO 88 Cb 0.01 -1.73 0.00 0.00 0.04 0.00 0.00 34.50 32.81 1sou s PRO 88 CO -0.12 -2.70 0.00 0.00 0.04 0.00 0.00 177.00 174.22 1sou n ALA 89 N -4.20 0.00 -0.82 8.56 0.00 -1.26 -4.88 120.51 117.91 1sou n ALA 89 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.50 1sou n ALA 89 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.00 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 0.00 4.32 0.00 0.00 1.43 -1.26 -0.70 118.68 122.47 1sou s LEU 91 Ca 0.00 0.46 -0.05 0.00 -1.03 0.00 0.00 54.13 53.51 1sou s LEU 91 Cb 0.00 -3.10 0.02 0.00 0.03 0.00 0.00 46.19 43.14 1sou s LEU 91 CO 0.00 0.12 0.24 0.61 0.23 0.00 0.00 176.35 177.56 1sou n GLY 92 N 0.29 1.22 2.79 -3.19 0.00 0.17 -4.80 105.19 101.67 1sou n GLY 92 Ca -0.04 -0.99 -0.24 0.00 0.00 0.00 0.00 46.02 44.75 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 -2.49 0.50 0.00 1.61 1.01 -1.26 -0.05 120.40 119.71 1sou s VAL 93 Ca 0.05 0.02 0.00 0.00 0.00 0.00 0.00 61.98 62.05 1sou s VAL 93 Cb -0.01 -0.65 0.00 0.00 0.00 0.00 0.00 36.38 35.73 1sou s VAL 93 CO 0.02 0.26 0.00 0.61 0.00 0.00 0.00 175.10 175.98 1sou n GLY 94 N 5.11 0.00 0.00 4.51 0.00 -1.26 -5.03 105.19 108.52 1sou n GLY 94 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 -1.54 0.00 -0.37 4.61 0.00 -1.26 -4.91 120.51 117.05 1sou n ALA 95 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.45 1sou n ALA 95 Cb 0.26 0.00 0.06 0.00 0.00 0.00 0.00 19.45 19.78 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 0.00 0.10 0.00 0.00 7.35 -1.26 -4.65 117.46 119.00 1sou n PHE 96 Ca 0.00 1.20 0.00 0.00 -0.76 0.00 0.00 57.45 57.89 1sou n PHE 96 Cb 0.00 -0.91 0.00 0.00 0.35 0.00 0.00 39.48 38.92 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 -1.50 0.00 3.20 7.13 0.00 -1.26 -5.17 105.19 107.60 1sou n GLY 97 Ca 0.11 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.92 1sou n GLY 97 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1sou s ILE 98 N 0.00 1.35 -0.83 -0.61 1.01 -1.26 -5.07 121.20 115.79 1sou s ILE 98 Ca 0.00 -1.27 -0.25 0.00 0.00 0.00 0.00 60.65 59.13 1sou s ILE 98 Cb 0.00 -1.24 -0.02 0.00 0.01 0.00 0.00 42.46 41.22 1sou s ILE 98 CO 0.00 -0.06 1.79 -0.04 0.00 0.00 0.00 174.94 176.63 1sou s MET 99 N -1.54 2.79 -0.05 2.79 -1.94 -1.26 -4.37 119.30 115.73 1sou s MET 99 Ca 0.03 -0.19 -0.03 0.00 -1.71 0.00 0.00 55.69 53.79 1sou s MET 99 Cb -0.09 -4.86 -0.04 0.00 2.01 0.00 0.00 34.83 31.85 1sou s MET 99 CO 0.02 -2.92 0.12 -1.83 -0.01 0.00 0.00 175.02 170.40 1sou s GLU 100 N 6.59 3.28 -0.48 2.03 -1.05 0.93 -4.84 118.70 125.15 1sou s GLU 100 Ca 0.63 -0.33 -0.28 0.00 -0.15 0.00 0.00 54.97 54.84 1sou s GLU 100 Cb -0.07 -3.02 -0.00 0.00 -0.44 0.00 0.00 34.13 30.60 1sou s GLU 100 CO 0.05 0.70 1.62 -1.25 0.95 0.00 0.00 175.26 177.33 1sou s PRO 101 N -1.52 3.21 0.05 -4.83 0.04 -1.26 -0.66 135.00 130.03 1sou s PRO 101 Ca 0.21 0.85 -0.18 0.00 0.04 0.00 0.00 61.00 61.92 1sou s PRO 101 Cb -0.12 -4.19 -0.15 0.00 0.04 0.00 0.00 34.50 30.08 1sou s PRO 101 CO 0.12 -2.03 1.30 0.28 0.04 0.00 0.00 177.00 176.71 1sou h VAL 102 N 6.63 1.35 -1.36 -0.36 2.07 -1.22 -3.46 116.25 119.91 1sou h VAL 102 Ca -0.29 -1.60 -0.54 0.00 0.82 0.00 0.00 66.70 65.10 1sou h VAL 102 Cb 1.13 1.98 -0.05 0.00 -1.52 0.00 0.00 31.29 32.83 1sou h VAL 102 CO 1.13 0.48 -0.41 -1.61 0.02 0.00 0.00 177.57 177.19 1sou s GLU 103 N -3.99 2.36 0.00 1.57 2.02 -1.16 -5.05 118.70 114.45 1sou s GLU 103 Ca -0.13 -1.75 0.00 0.00 0.02 0.00 0.00 54.97 53.11 1sou s GLU 103 Cb 0.06 -2.17 0.00 0.00 0.10 0.00 0.00 34.13 32.12 1sou s GLU 103 CO 0.80 -0.25 0.00 0.41 0.02 0.00 0.00 175.26 176.25 1sou n GLY 104 N -1.47 0.52 3.03 -1.39 0.00 -1.26 -4.91 105.19 99.71 1sou n GLY 104 Ca 0.01 -1.70 -0.28 0.00 0.00 0.00 0.00 46.02 44.04 1sou n GLY 104 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1sou s GLU 105 N -1.32 2.10 -0.03 1.61 -6.30 -1.08 -4.98 118.70 108.72 1sou s GLU 105 Ca 0.00 -0.51 -0.30 0.00 -2.50 0.00 0.00 54.97 51.66 1sou s GLU 105 Cb 0.00 -1.84 -0.04 0.00 0.00 0.00 0.00 34.13 32.25 1sou s GLU 105 CO 0.00 -0.11 1.17 -0.98 0.02 0.00 0.00 175.26 175.36 1sou s ARG 106 N 1.12 4.39 -0.02 4.30 1.70 -1.26 -0.36 118.95 128.82 1sou s ARG 106 Ca -0.04 1.66 0.07 0.00 -0.47 0.00 0.00 55.73 56.95 1sou s ARG 106 Cb -0.14 -3.50 -0.02 0.00 -0.57 0.00 0.00 34.95 30.72 1sou s ARG 106 CO -0.03 -0.36 -0.23 0.08 -1.08 0.00 0.00 175.30 173.68 1sou s VAL 107 N 1.82 1.83 0.08 4.99 1.01 0.46 -4.92 120.40 125.67 1sou s VAL 107 Ca 0.56 -0.99 -0.25 0.00 0.00 0.00 0.00 61.98 61.30 1sou s VAL 107 Cb -0.25 -1.53 -0.06 0.00 0.00 0.00 0.00 36.38 34.54 1sou s VAL 107 CO 0.24 0.52 0.78 0.21 0.00 0.00 0.00 175.10 176.84 1sou s ASN 108 N -0.47 7.27 0.62 3.32 2.47 -1.26 -3.55 114.94 123.33 1sou s ASN 108 Ca 0.07 1.51 0.25 0.00 0.42 0.00 0.00 52.86 55.10 1sou s ASN 108 Cb -0.10 -2.48 1.16 0.00 -1.45 0.00 0.00 41.25 38.38 1sou s ASN 108 CO -0.00 0.06 1.62 1.55 -3.72 0.00 0.00 177.10 176.61 1sou h PRO 109 N 5.33 0.00 -0.44 0.43 0.13 -1.94 0.12 132.00 135.64 1sou h PRO 109 Ca -0.45 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.70 1sou h PRO 109 Cb 1.21 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.31 1sou h PRO 109 CO 0.70 0.00 0.29 1.49 -0.23 0.00 0.00 178.00 180.25 1sou h GLU 110 N 0.00 0.54 0.00 0.86 4.57 -1.92 -2.47 114.58 116.16 1sou h GLU 110 Ca 0.22 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.36 1sou h GLU 110 Cb 1.66 -0.12 0.00 0.00 -0.16 0.00 0.00 28.75 30.13 1sou h GLU 110 CO -0.00 0.36 -0.14 0.22 -1.18 0.00 0.00 179.01 178.27 1sou h ASP 111 N 0.56 0.00 -2.97 1.04 3.58 -1.14 -3.45 116.42 114.04 1sou h ASP 111 Ca 0.17 -0.04 -0.57 0.00 0.42 0.00 0.00 57.03 57.01 1sou h ASP 111 Cb -0.01 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.00 1sou h ASP 111 CO -0.04 0.02 1.01 -0.69 -2.88 0.00 0.00 179.24 176.66 1sou s VAL 112 N -3.13 4.01 -0.13 2.25 1.01 -0.93 -4.83 120.40 118.65 1sou s VAL 112 Ca 0.09 1.16 0.18 0.00 0.00 0.00 0.00 61.98 63.41 1sou s VAL 112 Cb 0.11 -3.96 -0.19 0.00 0.00 0.00 0.00 36.38 32.34 1sou s VAL 112 CO 0.63 -0.34 0.63 -0.90 0.00 0.00 0.00 175.10 175.12 1sou n ASP 113 N 7.65 0.54 -3.81 3.32 5.68 -1.22 -3.42 116.55 125.28 1sou n ASP 113 Ca 0.16 0.23 -0.22 0.00 -0.50 0.00 0.00 54.79 54.46 1sou n ASP 113 Cb 0.46 0.67 -0.17 0.00 -1.14 0.00 0.00 41.12 40.94 1sou n ASP 113 CO 0.00 0.00 0.00 0.12 -1.33 0.00 0.00 177.20 175.99 1sou s PHE 114 N -2.98 0.75 -0.01 2.11 2.19 -0.67 -0.58 117.98 118.79 1sou s PHE 114 Ca -0.05 -0.22 0.03 0.00 0.33 0.00 0.00 56.93 57.02 1sou s PHE 114 Cb 0.09 -0.79 -0.01 0.00 -1.31 0.00 0.00 43.02 41.00 1sou s PHE 114 CO 0.83 -0.30 -0.10 -1.50 1.83 0.00 0.00 175.22 175.98 1sou s ILE 115 N 1.66 0.81 -0.28 3.12 2.07 -1.01 -0.50 121.20 127.06 1sou s ILE 115 Ca 0.01 -0.43 0.02 0.00 -1.41 0.00 0.00 60.65 58.83 1sou s ILE 115 Cb -0.13 -0.68 0.06 0.00 0.13 0.00 0.00 42.46 41.84 1sou s ILE 115 CO -0.04 0.23 -0.06 0.00 -1.91 0.00 0.00 174.94 173.16 1sou s ALA 116 N -0.17 2.68 -0.19 1.50 0.00 0.16 -1.73 121.76 124.00 1sou s ALA 116 Ca 0.03 -1.86 -0.01 0.00 0.00 0.00 0.00 51.96 50.11 1sou s ALA 116 Cb -0.05 -1.74 0.01 0.00 0.00 0.00 0.00 23.12 21.34 1sou s ALA 116 CO -0.00 -1.28 -0.13 0.08 0.00 0.00 0.00 175.76 174.43 1sou s VAL 117 N 1.12 2.67 0.00 0.00 1.01 0.38 -2.16 120.40 123.42 1sou s VAL 117 Ca -0.06 -0.74 0.00 0.00 0.00 0.00 0.00 61.98 61.19 1sou s VAL 117 Cb -0.20 -2.17 0.00 0.00 0.00 0.00 0.00 36.38 34.01 1sou s VAL 117 CO -0.04 0.49 0.00 -2.65 0.00 0.00 0.00 175.10 172.90 1sou n PRO 118 N 4.62 1.96 0.00 2.72 -0.02 -1.26 -2.22 135.00 140.81 1sou n PRO 118 Ca -0.20 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.28 1sou n PRO 118 Cb 0.51 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.99 1sou n PRO 118 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1sou n GLY 119 N 3.64 3.42 0.35 -1.23 0.00 -1.26 -4.74 105.19 105.37 1sou n GLY 119 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.90 1sou n GLY 119 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1sou h VAL 120 N 0.00 1.11 -3.40 1.61 2.07 -1.95 -3.41 116.25 112.29 1sou h VAL 120 Ca 0.00 -0.39 -0.45 0.00 0.82 0.00 0.00 66.70 66.68 1sou h VAL 120 Cb 0.00 -0.11 -0.34 0.00 -1.52 0.00 0.00 31.29 29.32 1sou h VAL 120 CO 0.00 0.21 -0.79 0.00 0.02 0.00 0.00 177.57 177.01 1sou s ALA 121 N -6.07 0.91 0.28 1.67 0.00 -1.26 -4.84 121.76 112.44 1sou s ALA 121 Ca -0.13 -0.21 0.10 0.00 0.00 0.00 0.00 51.96 51.72 1sou s ALA 121 Cb 0.19 -0.55 -0.05 0.00 0.00 0.00 0.00 23.12 22.71 1sou s ALA 121 CO 0.80 -0.07 -0.15 -0.06 0.00 0.00 0.00 175.76 176.29 1sou s PHE 122 N 1.03 2.19 0.45 0.00 0.40 -1.05 -2.03 117.98 118.97 1sou s PHE 122 Ca -0.09 -0.45 0.04 0.00 -0.60 0.00 0.00 56.93 55.83 1sou s PHE 122 Cb -0.14 -1.07 -0.04 0.00 0.51 0.00 0.00 43.02 42.27 1sou s PHE 122 CO -0.00 0.58 0.02 0.16 0.70 0.00 0.00 175.22 176.68 1sou s ASP 123 N -3.50 3.76 0.00 1.36 -4.77 -1.02 -0.41 116.67 112.10 1sou s ASP 123 Ca 0.29 -1.52 0.21 0.00 -3.30 0.00 0.00 52.55 48.23 1sou s ASP 123 Cb -0.02 0.12 0.85 0.00 -1.09 0.00 0.00 42.92 42.78 1sou s ASP 123 CO 0.14 -0.68 1.60 0.18 0.70 0.00 0.00 175.17 177.11 1sou n LEU 124 N -1.07 1.36 -0.10 2.11 4.77 -0.44 -3.47 117.00 120.16 1sou n LEU 124 Ca -0.11 -0.56 -0.12 0.00 -0.03 0.00 0.00 56.01 55.19 1sou n LEU 124 Cb 0.67 -0.08 -0.13 0.00 -2.33 0.00 0.00 43.42 41.55 1sou n LEU 124 CO 0.42 0.28 -1.19 -0.62 -1.33 0.00 0.00 177.39 174.95 1sou n GLU 125 N 0.11 0.79 0.00 3.23 1.02 -1.26 -4.92 120.64 119.61 1sou n GLU 125 Ca 0.16 0.05 0.00 0.00 -0.02 0.00 0.00 57.16 57.35 1sou n GLU 125 Cb 0.29 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.22 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 2.03 0.26 3.91 0.62 0.00 -1.23 -3.91 105.19 106.88 1sou n GLY 126 Ca -0.36 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.57 3.34 0.23 1.61 2.02 -1.26 -2.15 117.35 120.58 1sou s TYR 127 Ca 0.00 -0.02 0.10 0.00 -0.37 0.00 0.00 57.07 56.78 1sou s TYR 127 Cb 0.00 -1.54 -0.04 0.00 -0.40 0.00 0.00 41.96 39.98 1sou s TYR 127 CO 0.00 0.48 -0.10 1.03 -1.57 0.00 0.00 175.55 175.39 1sou s ARG 128 N -3.73 2.01 0.00 -0.62 0.52 -1.26 -2.43 118.95 113.44 1sou s ARG 128 Ca 0.34 -1.46 0.25 0.00 -0.52 0.00 0.00 55.73 54.34 1sou s ARG 128 Cb -0.09 -2.05 0.37 0.00 0.52 0.00 0.00 34.95 33.71 1sou s ARG 128 CO 0.27 0.38 1.36 -0.11 0.02 0.00 0.00 175.30 177.23 1sou n LEU 129 N -0.43 2.66 0.00 2.53 7.94 -0.86 -4.75 117.00 124.09 1sou n LEU 129 Ca -0.08 -0.89 0.04 0.00 -1.11 0.00 0.00 56.01 53.97 1sou n LEU 129 Cb 0.58 -0.00 -0.01 0.00 0.53 0.00 0.00 43.42 44.52 1sou n LEU 129 CO 0.37 0.44 -0.05 0.61 -1.11 0.00 0.00 177.39 177.65 1sou n GLY 130 N 1.31 -1.97 2.66 -3.96 0.00 -1.26 -4.86 105.19 97.10 1sou n GLY 130 Ca 0.15 -1.36 -0.22 0.00 0.00 0.00 0.00 46.02 44.59 1sou n GLY 130 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1sou s PHE 131 N -0.84 -0.07 0.00 1.61 5.36 -1.26 -4.50 117.98 118.28 1sou s PHE 131 Ca 0.00 -0.61 0.00 0.00 -0.96 0.00 0.00 56.93 55.36 1sou s PHE 131 Cb 0.00 -0.65 0.00 0.00 -0.34 0.00 0.00 43.02 42.03 1sou s PHE 131 CO 0.00 -0.89 0.00 0.41 -1.46 0.00 0.00 175.22 173.28 1sou n GLY 132 N 5.07 1.81 1.83 13.12 0.00 -1.26 -4.75 105.19 121.01 1sou n GLY 132 Ca -0.01 0.15 -0.16 0.00 0.00 0.00 0.00 46.02 46.00 1sou n GLY 132 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1sou n LYS 133 N 0.00 1.28 -3.39 1.61 4.76 -1.26 -5.13 118.16 116.03 1sou n LYS 133 Ca 0.00 -1.87 -0.18 0.00 -2.87 0.00 0.00 58.31 53.39 1sou n LYS 133 Cb 0.00 0.58 -0.09 0.00 -1.84 0.00 0.00 35.03 33.68 1sou n LYS 133 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 1sou s GLY 134 N -2.40 -0.01 0.00 0.72 0.00 -1.26 -4.95 107.32 99.42 1sou s GLY 134 Ca 0.02 -0.72 0.00 0.00 0.00 0.00 0.00 44.72 44.01 1sou s GLY 134 CO 0.01 2.64 0.00 -1.72 0.00 0.00 0.00 173.10 174.03 1sou n TYR 135 N 4.77 0.00 -2.27 1.90 4.01 -1.26 -4.88 117.16 119.43 1sou n TYR 135 Ca 0.04 0.00 -0.16 0.00 -0.16 0.00 0.00 57.90 57.63 1sou n TYR 135 Cb 0.45 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.47 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 -0.72 0.17 -0.72 4.01 -1.26 -4.88 117.16 113.76 1sou n TYR 136 Ca 0.00 0.00 0.05 0.00 -0.16 0.00 0.00 57.90 57.79 1sou n TYR 136 Cb 0.00 -3.21 0.48 0.00 -0.31 0.00 0.00 39.34 36.30 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 0.00 0.13 -0.08 7.72 2.03 -1.98 -1.69 116.42 122.56 1sou h ASP 137 Ca -0.37 -0.02 0.02 0.00 -0.73 0.00 0.00 57.03 55.93 1sou h ASP 137 Cb 1.27 -0.03 -0.00 0.00 -0.83 0.00 0.00 39.33 39.73 1sou h ASP 137 CO 0.44 0.23 0.12 0.08 -1.03 0.00 0.00 179.24 179.08 1sou h ARG 138 N 0.14 0.00 0.00 4.15 0.11 -1.99 0.87 114.38 117.67 1sou h ARG 138 Ca 0.03 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.11 1sou h ARG 138 Cb 0.23 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.31 1sou h ARG 138 CO 0.01 0.00 -0.69 -0.11 0.10 0.00 0.00 179.97 179.28 1sou n LEU 139 N -3.55 1.85 0.05 0.08 7.94 -0.68 -4.37 117.00 118.33 1sou n LEU 139 Ca -0.01 0.53 0.05 0.00 -1.11 0.00 0.00 56.01 55.47 1sou n LEU 139 Cb 0.21 -0.83 0.46 0.00 0.53 0.00 0.00 43.42 43.79 1sou n LEU 139 CO 0.24 -0.40 1.14 -0.07 -1.11 0.00 0.00 177.39 177.19 1sou h LEU 140 N -1.00 0.38 -0.61 -1.96 3.38 -1.23 -1.40 115.31 112.88 1sou h LEU 140 Ca -0.01 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 1sou h LEU 140 Cb 0.69 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 1sou h LEU 140 CO -0.00 0.29 -0.20 0.50 0.09 0.00 0.00 178.44 179.11 1sou h LYS 141 N 0.45 0.00 0.00 1.13 1.63 -1.08 -3.26 116.57 115.45 1sou h LYS 141 Ca 0.12 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.92 1sou h LYS 141 Cb -0.04 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.59 1sou h LYS 141 CO -0.02 0.20 -1.36 -2.13 -3.45 0.00 0.00 179.45 172.68 1sou n ARG 142 N -3.23 0.78 -1.95 1.90 0.63 -0.59 -4.81 116.66 109.39 1sou n ARG 142 Ca 0.02 -0.09 -0.32 0.00 -0.92 0.00 0.00 57.85 56.54 1sou n ARG 142 Cb 0.51 -1.40 -0.04 0.00 0.45 0.00 0.00 32.46 31.98 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 -3.01 3.32 -1.79 5.15 1.01 -0.83 -4.59 120.40 119.66 1sou s VAL 143 Ca -0.00 -0.03 0.28 0.00 0.00 0.00 0.00 61.98 62.23 1sou s VAL 143 Cb 0.13 -3.78 0.44 0.00 0.00 0.00 0.00 36.38 33.17 1sou s VAL 143 CO 0.76 -0.75 1.79 2.29 0.00 0.00 0.00 175.10 179.19 1sou n LYS 144 N 9.03 0.85 -0.63 2.72 2.85 -1.26 -4.90 118.16 126.82 1sou n LYS 144 Ca 0.31 -0.37 -0.29 0.00 -1.05 0.00 0.00 58.31 56.91 1sou n LYS 144 Cb 0.50 -1.49 0.22 0.00 -0.65 0.00 0.00 35.03 33.61 1sou n LYS 144 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 1sou s GLY 145 N -2.40 1.58 -0.30 2.58 0.00 -1.22 -4.79 107.32 102.77 1sou s GLY 145 Ca 0.30 0.05 -0.34 0.00 0.00 0.00 0.00 44.72 44.73 1sou s GLY 145 CO 0.47 0.68 2.15 -0.10 0.00 0.00 0.00 173.10 176.30 1sou n LEU 146 N -4.69 2.48 -4.52 0.66 7.94 0.25 -4.80 117.00 114.32 1sou n LEU 146 Ca 0.05 0.44 -0.42 0.00 -1.11 0.00 0.00 56.01 54.98 1sou n LEU 146 Cb 0.54 -1.33 -0.03 0.00 0.53 0.00 0.00 43.42 43.13 1sou n LEU 146 CO 0.55 -0.65 1.03 -0.75 -1.11 0.00 0.00 177.39 176.46 1sou s LYS 147 N 5.96 3.18 -0.22 1.96 2.47 -1.26 -2.41 119.74 129.42 1sou s LYS 147 Ca 1.06 -0.49 -0.06 0.00 -1.56 0.00 0.00 55.97 54.92 1sou s LYS 147 Cb -0.75 -4.24 -0.03 0.00 -1.46 0.00 0.00 37.83 31.35 1sou s LYS 147 CO 0.47 -2.03 0.04 0.08 0.16 0.00 0.00 175.35 174.07 1sou s VAL 148 N 5.11 4.29 -0.13 4.02 1.01 -0.71 -0.91 120.40 133.08 1sou s VAL 148 Ca 0.31 -0.19 -0.07 0.00 0.00 0.00 0.00 61.98 62.03 1sou s VAL 148 Cb -0.11 -2.97 -0.04 0.00 0.00 0.00 0.00 36.38 33.26 1sou s VAL 148 CO 0.12 0.40 0.11 -0.83 0.00 0.00 0.00 175.10 174.90 1sou s GLY 149 N 1.11 2.08 -0.14 4.51 0.00 -0.02 -0.47 107.32 114.39 1sou s GLY 149 Ca 0.04 -0.68 0.02 0.00 0.00 0.00 0.00 44.72 44.10 1sou s GLY 149 CO 0.03 -0.32 -0.21 0.14 0.00 0.00 0.00 173.10 172.74 1sou s VAL 150 N -0.76 1.96 0.17 1.40 1.01 -0.94 -0.35 120.40 122.89 1sou s VAL 150 Ca 0.13 -0.92 -0.24 0.00 0.00 0.00 0.00 61.98 60.95 1sou s VAL 150 Cb -0.12 -1.75 0.06 0.00 0.00 0.00 0.00 36.38 34.57 1sou s VAL 150 CO 0.03 0.53 0.85 0.00 0.00 0.00 0.00 175.10 176.50 1sou s ALA 151 N 0.87 -1.55 0.35 5.51 0.00 -1.03 -4.13 121.76 121.77 1sou s ALA 151 Ca -0.06 0.17 -0.16 0.00 0.00 0.00 0.00 51.96 51.90 1sou s ALA 151 Cb -0.15 0.69 -0.09 0.00 0.00 0.00 0.00 23.12 23.56 1sou s ALA 151 CO -0.02 -0.96 0.79 0.71 0.00 0.00 0.00 175.76 176.27 1sou s TYR 152 N -3.49 3.36 0.31 0.00 2.02 -1.26 -3.48 117.35 114.82 1sou s TYR 152 Ca 0.10 1.32 0.25 0.00 -0.37 0.00 0.00 57.07 58.36 1sou s TYR 152 Cb -0.03 -2.61 1.18 0.00 -0.40 0.00 0.00 41.96 40.10 1sou s TYR 152 CO 0.00 0.04 1.95 0.66 -1.57 0.00 0.00 175.55 176.64 1sou h SER 153 N 2.18 0.00 -0.09 2.29 4.64 -1.96 -1.73 113.55 118.87 1sou h SER 153 Ca -0.48 0.00 0.03 0.00 -0.47 0.00 0.00 61.79 60.86 1sou h SER 153 Cb 1.18 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.26 1sou h SER 153 CO 0.64 0.19 0.09 -0.26 -0.87 0.00 0.00 176.83 176.62 1sou h PHE 154 N 0.00 0.00 -0.16 4.77 -1.00 -2.02 -2.31 116.94 116.22 1sou h PHE 154 Ca -0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 1sou h PHE 154 Cb 0.52 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.08 1sou h PHE 154 CO 0.00 0.00 0.00 1.04 -1.61 0.00 0.00 178.31 177.74 1sou n GLN 155 N -3.99 2.78 -3.76 1.51 1.13 -0.67 -4.90 117.38 109.48 1sou n GLN 155 Ca -0.01 -1.96 -0.37 0.00 -1.94 0.00 0.00 57.00 52.72 1sou n GLN 155 Cb 0.19 -1.24 -0.13 0.00 0.11 0.00 0.00 30.24 29.18 1sou n GLN 155 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 1sou s VAL 156 N -1.37 3.95 0.28 5.09 1.01 -0.87 -2.52 120.40 125.98 1sou s VAL 156 Ca 0.17 -0.74 -0.01 0.00 0.00 0.00 0.00 61.98 61.39 1sou s VAL 156 Cb 0.11 -3.06 -0.04 0.00 0.00 0.00 0.00 36.38 33.39 1sou s VAL 156 CO 0.07 0.05 0.49 -0.36 0.00 0.00 0.00 175.10 175.36 1sou s PHE 157 N 1.49 3.49 0.12 5.22 0.08 0.45 -4.94 117.98 123.88 1sou s PHE 157 Ca 0.02 0.40 -0.27 0.00 0.12 0.00 0.00 56.93 57.20 1sou s PHE 157 Cb -0.17 -1.92 -0.07 0.00 -0.57 0.00 0.00 43.02 40.29 1sou s PHE 157 CO 0.02 0.22 1.63 0.93 -0.10 0.00 0.00 175.22 177.93 1sou h GLU 158 N 1.36 -0.44 -3.30 0.44 3.07 -1.94 -2.54 114.58 111.24 1sou h GLU 158 Ca -0.49 0.03 -0.13 0.00 -0.50 0.00 0.00 59.36 58.28 1sou h GLU 158 Cb 1.20 0.10 -0.20 0.00 -0.84 0.00 0.00 28.75 29.02 1sou h GLU 158 CO 0.64 -0.30 -0.38 1.03 -1.40 0.00 0.00 179.01 178.61 1sou s ARG 159 N -6.05 0.60 0.16 2.33 0.52 -1.26 -1.33 118.95 113.92 1sou s ARG 159 Ca -0.16 -0.34 0.06 0.00 -0.52 0.00 0.00 55.73 54.77 1sou s ARG 159 Cb 0.08 0.26 -0.04 0.00 0.52 0.00 0.00 34.95 35.77 1sou s ARG 159 CO 0.65 -0.16 -0.13 -0.51 0.02 0.00 0.00 175.30 175.17 1sou s LEU 160 N -1.47 2.51 -0.19 2.53 1.43 -1.26 -4.99 118.68 117.23 1sou s LEU 160 Ca -0.13 -0.96 -0.31 0.00 -1.03 0.00 0.00 54.13 51.70 1sou s LEU 160 Cb -0.06 -0.53 -0.08 0.00 0.03 0.00 0.00 46.19 45.56 1sou s LEU 160 CO 0.02 -0.22 2.14 -2.65 0.23 0.00 0.00 176.35 175.87 1sou n PRO 161 N -0.07 1.93 -2.40 1.29 -0.02 -1.26 -4.90 135.00 129.57 1sou n PRO 161 Ca -0.11 0.59 -0.42 0.00 -2.02 0.00 0.00 63.50 61.54 1sou n PRO 161 Cb 0.60 -2.98 -0.03 0.00 -0.02 0.00 0.00 33.50 31.07 1sou n PRO 161 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 1sou s ARG 162 N 5.80 4.45 0.00 -0.52 3.52 -1.26 -4.99 118.95 125.94 1sou s ARG 162 Ca 1.00 1.82 0.00 0.00 -0.13 0.00 0.00 55.73 58.42 1sou s ARG 162 Cb -0.50 -3.31 0.00 0.00 -1.56 0.00 0.00 34.95 29.58 1sou s ARG 162 CO 0.41 -0.20 0.00 -3.47 -0.81 0.00 0.00 175.30 171.23 1sou n ASP 163 N 3.45 0.00 -4.17 -2.12 -0.08 -1.26 -5.04 116.55 107.33 1sou n ASP 163 Ca 0.07 -0.62 -0.35 0.00 -1.51 0.00 0.00 54.79 52.38 1sou n ASP 163 Cb 0.46 0.00 -0.13 0.00 2.34 0.00 0.00 41.12 43.78 1sou n ASP 163 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1sou s ALA 164 N -3.56 2.92 -0.01 -1.67 0.00 -1.26 -4.61 121.76 113.56 1sou s ALA 164 Ca 0.00 -1.97 0.00 0.00 0.00 0.00 0.00 51.96 49.99 1sou s ALA 164 Cb 0.00 -2.09 0.00 0.00 0.00 0.00 0.00 23.12 21.03 1sou s ALA 164 CO 0.00 -1.42 0.00 0.91 0.00 0.00 0.00 175.76 175.25 1sou n TRP 165 N 4.62 0.00 -2.02 0.00 5.03 -1.26 -4.99 117.44 118.82 1sou n TRP 165 Ca -0.10 0.00 -0.42 0.00 3.03 0.00 0.00 57.50 60.01 1sou n TRP 165 Cb 0.43 -0.20 -0.03 0.00 -1.03 0.00 0.00 31.31 30.48 1sou n TRP 165 CO 0.00 0.00 0.00 0.34 -0.03 0.00 0.00 177.69 178.00 1sou s ASP 166 N -2.31 6.68 -0.26 -0.99 2.15 -1.26 -4.93 116.67 115.75 1sou s ASP 166 Ca 0.00 2.32 -0.29 0.00 0.43 0.00 0.00 52.55 55.00 1sou s ASP 166 Cb 0.00 -2.55 -0.00 0.00 -0.30 0.00 0.00 42.92 40.07 1sou s ASP 166 CO 0.00 -0.86 1.26 -0.51 -0.17 0.00 0.00 175.17 174.89 1sou s ILE 167 N 3.06 4.24 0.52 4.11 2.07 -1.26 -4.93 121.20 129.02 1sou s ILE 167 Ca 0.71 1.44 -0.19 0.00 -1.41 0.00 0.00 60.65 61.20 1sou s ILE 167 Cb -0.36 -4.14 -0.07 0.00 0.13 0.00 0.00 42.46 38.03 1sou s ILE 167 CO 0.30 -0.36 1.09 -2.84 -1.91 0.00 0.00 174.94 171.22 1sou s PRO 168 N 3.88 3.52 0.29 3.50 0.02 -1.26 -4.89 135.00 140.06 1sou s PRO 168 Ca 0.54 1.48 -0.16 0.00 0.02 0.00 0.00 61.00 62.88 1sou s PRO 168 Cb -0.18 -2.04 -0.09 0.00 0.02 0.00 0.00 34.50 32.21 1sou s PRO 168 CO 0.19 -0.68 0.72 0.14 -0.33 0.00 0.00 177.00 177.04 1sou s VAL 169 N -1.91 4.66 -0.09 3.83 -7.23 -0.91 -4.94 120.40 113.81 1sou s VAL 169 Ca 0.70 1.02 -0.10 0.00 -1.81 0.00 0.00 61.98 61.79 1sou s VAL 169 Cb -0.20 -3.68 -0.28 0.00 0.56 0.00 0.00 36.38 32.77 1sou s VAL 169 CO 0.25 -0.06 0.53 -0.78 -0.31 0.00 0.00 175.10 174.73 1sou h ASP 170 N 2.62 0.50 -3.40 4.85 1.82 -1.40 -3.26 116.42 118.16 1sou h ASP 170 Ca -0.48 -0.93 -0.68 0.00 -0.39 0.00 0.00 57.03 54.56 1sou h ASP 170 Cb 1.18 -0.16 -0.33 0.00 0.68 0.00 0.00 39.33 40.70 1sou h ASP 170 CO 0.65 1.79 -0.88 -0.69 -1.61 0.00 0.00 179.24 178.50 1sou s VAL 171 N -2.55 2.05 -0.26 2.25 1.01 -0.81 -0.46 120.40 121.62 1sou s VAL 171 Ca -0.19 -1.02 -0.04 0.00 0.00 0.00 0.00 61.98 60.73 1sou s VAL 171 Cb 0.06 -1.77 0.01 0.00 0.00 0.00 0.00 36.38 34.68 1sou s VAL 171 CO 0.81 0.56 0.01 -0.22 0.00 0.00 0.00 175.10 176.25 1sou s LEU 172 N 0.30 3.43 -0.39 3.92 2.96 0.51 -0.84 118.68 128.57 1sou s LEU 172 Ca -0.18 -0.71 -0.16 0.00 -0.22 0.00 0.00 54.13 52.86 1sou s LEU 172 Cb -0.18 -1.78 0.01 0.00 0.50 0.00 0.00 46.19 44.75 1sou s LEU 172 CO 0.09 -0.14 0.40 -0.69 -1.32 0.00 0.00 176.35 174.69 1sou s VAL 173 N 1.43 5.13 0.48 1.68 1.01 0.52 -0.74 120.40 129.91 1sou s VAL 173 Ca 0.02 -0.24 0.07 0.00 0.00 0.00 0.00 61.98 61.83 1sou s VAL 173 Cb -0.16 -3.96 0.01 0.00 0.00 0.00 0.00 36.38 32.26 1sou s VAL 173 CO -0.01 -0.31 0.38 -0.89 0.00 0.00 0.00 175.10 174.27 1sou s THR 174 N 2.06 2.13 0.42 3.92 2.01 -1.01 -2.48 115.64 122.70 1sou s THR 174 Ca 0.11 -1.45 0.15 0.00 0.31 0.00 0.00 61.69 60.81 1sou s THR 174 Cb -0.17 -2.58 0.35 0.00 0.01 0.00 0.00 72.50 70.11 1sou s THR 174 CO 0.13 0.00 1.93 1.05 -0.69 0.00 0.00 174.62 177.04 1sou h GLU 175 N 0.93 0.42 0.00 4.92 4.11 -1.85 -3.30 114.58 119.81 1sou h GLU 175 Ca -0.39 -0.03 -0.02 0.00 0.07 0.00 0.00 59.36 58.99 1sou h GLU 175 Cb 1.28 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 30.43 1sou h GLU 175 CO 0.59 0.28 -0.45 0.87 0.07 0.00 0.00 179.01 180.36 1sou h LYS 176 N 0.43 0.00 -3.39 1.06 1.57 -1.92 -3.36 116.57 110.96 1sou h LYS 176 Ca 0.35 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 59.07 1sou h LYS 176 Cb 0.75 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.02 1sou h LYS 176 CO -0.11 0.14 0.07 0.54 -0.57 0.00 0.00 179.45 179.52 1sou s ASN 177 N -5.82 0.12 -0.22 0.86 4.22 -1.24 -5.02 114.94 107.82 1sou s ASN 177 Ca -0.13 -1.05 -0.22 0.00 -2.14 0.00 0.00 52.86 49.32 1sou s ASN 177 Cb 0.02 0.72 -0.02 0.00 1.28 0.00 0.00 41.25 43.25 1sou s ASN 177 CO 0.22 -1.40 0.70 -0.69 -2.04 0.00 0.00 177.10 173.89 1sou s VAL 178 N -3.22 4.95 -0.14 3.54 1.01 -1.26 -2.40 120.40 122.87 1sou s VAL 178 Ca 0.19 1.30 0.00 0.00 0.00 0.00 0.00 61.98 63.48 1sou s VAL 178 Cb -0.03 -4.00 0.03 0.00 0.00 0.00 0.00 36.38 32.37 1sou s VAL 178 CO 0.12 0.03 -0.11 -0.60 0.00 0.00 0.00 175.10 174.54 1sou s ARG 179 N 2.34 1.98 0.20 2.72 3.52 0.08 -5.00 118.95 124.78 1sou s ARG 179 Ca 0.30 -0.49 -0.28 0.00 -0.13 0.00 0.00 55.73 55.13 1sou s ARG 179 Cb -0.16 -1.97 -0.08 0.00 -1.56 0.00 0.00 34.95 31.18 1sou s ARG 179 CO 0.09 -0.28 0.87 1.03 -0.81 0.00 0.00 175.30 176.20 1sou s ARG 180 N 1.56 4.72 0.00 5.12 0.52 -1.26 -0.36 118.95 129.24 1sou s ARG 180 Ca 0.04 1.34 0.00 0.00 -0.52 0.00 0.00 55.73 56.59 1sou s ARG 180 Cb -0.13 -3.28 0.00 0.00 0.52 0.00 0.00 34.95 32.06 1sou s ARG 180 CO -0.10 0.52 0.00 1.28 0.02 0.00 0.00 175.30 177.02 1sou n LEU 181 N 1.65 0.00 0.00 2.53 4.77 0.39 -4.89 117.00 121.45 1sou n LEU 181 Ca -0.03 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.95 1sou n LEU 181 Cb 0.48 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 1sou n LEU 181 CO 0.48 0.00 0.00 -1.14 -1.33 0.00 0.00 177.39 175.40 1sou n ARG 182 N 0.00 0.00 -1.93 3.23 0.63 -1.23 -4.87 116.66 112.48 1sou n ARG 182 Ca 0.00 0.00 -0.43 0.00 -0.92 0.00 0.00 57.85 56.50 1sou n ARG 182 Cb 0.00 -0.02 -0.03 0.00 0.45 0.00 0.00 32.46 32.86 1sou n ARG 182 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 1sou s ASP 183 N 0.00 6.23 -0.25 6.15 2.15 -1.26 -4.95 116.67 124.74 1sou s ASP 183 Ca 0.00 1.90 -0.04 0.00 0.43 0.00 0.00 52.55 54.84 1sou s ASP 183 Cb 0.00 -2.53 0.09 0.00 -0.30 0.00 0.00 42.92 40.19 1sou s ASP 183 CO 0.00 -1.34 0.15 -0.83 -0.17 0.00 0.00 175.17 172.98 1sou s GLY 184 N 4.98 0.34 -1.21 2.66 0.00 -1.26 -4.94 107.32 107.90 1sou s GLY 184 Ca 0.80 -0.69 -0.13 0.00 0.00 0.00 0.00 44.72 44.71 1sou s GLY 184 CO 0.33 2.06 1.46 0.54 0.00 0.00 0.00 173.10 177.48 1sou n ARG 185 N 5.27 3.42 -0.03 2.90 5.12 -1.26 -4.51 116.66 127.56 1sou n ARG 185 Ca -0.06 -3.86 -0.03 0.00 -1.93 0.00 0.00 57.85 51.97 1sou n ARG 185 Cb 0.45 -2.99 -0.06 0.00 -1.16 0.00 0.00 32.46 28.70 1sou n ARG 185 CO 0.00 0.00 0.00 -1.13 -1.93 0.00 0.00 177.63 174.57 1sou n SER 186 N 5.22 3.13 -2.57 0.55 3.41 -1.26 -5.00 113.62 117.10 1sou n SER 186 Ca 0.36 0.00 -0.19 0.00 -0.26 0.00 0.00 58.87 58.78 1sou n SER 186 Cb 0.42 0.78 -0.00 0.00 -0.26 0.00 0.00 64.21 65.14 1sou n SER 186 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1sou n LEU 187 N -2.22 -1.89 -4.56 1.04 4.77 -1.26 -4.85 117.00 108.04 1sou n LEU 187 Ca -0.11 -0.04 -0.31 0.00 -0.03 0.00 0.00 56.01 55.52 1sou n LEU 187 Cb 0.68 -2.74 -0.04 0.00 -2.33 0.00 0.00 43.42 38.99 1sou n LEU 187 CO 0.16 -0.10 1.44 -0.70 -1.33 0.00 0.00 177.39 176.87 1sou s GLU 188 N -5.21 2.58 -0.24 3.23 2.12 -1.26 -4.86 118.70 115.06 1sou s GLU 188 Ca 0.07 0.06 -0.03 0.00 0.36 0.00 0.00 54.97 55.43 1sou s GLU 188 Cb -0.03 -4.80 0.10 0.00 0.26 0.00 0.00 34.13 29.65 1sou s GLU 188 CO 0.09 -3.13 0.21 -1.01 -0.54 0.00 0.00 175.26 170.88 1sou s HIS 189 N 9.70 -0.16 -0.20 5.30 3.76 -1.26 -5.11 115.29 127.32 1sou s HIS 189 Ca 0.69 -0.17 -0.29 0.00 -0.15 0.00 0.00 55.06 55.14 1sou s HIS 189 Cb -0.09 -0.53 -0.04 0.00 1.11 0.00 0.00 32.58 33.03 1sou s HIS 189 CO 0.07 -0.73 1.86 -1.58 -0.85 0.00 0.00 174.74 173.52 1sou s HIS 190 N 2.27 1.67 -0.02 1.40 2.46 -1.26 -4.96 115.29 116.86 1sou s HIS 190 Ca 0.08 0.40 0.02 0.00 0.47 0.00 0.00 55.06 56.03 1sou s HIS 190 Cb -0.15 -4.04 0.00 0.00 -0.13 0.00 0.00 32.58 28.26 1sou s HIS 190 CO -0.23 -3.66 -0.09 -1.58 -2.47 0.00 0.00 174.74 166.72 1sou s HIS 191 N 6.21 0.89 -0.19 3.88 5.04 -1.26 -5.11 115.29 124.74 1sou s HIS 191 Ca 0.83 -0.21 -0.03 0.00 -1.54 0.00 0.00 55.06 54.12 1sou s HIS 191 Cb -0.29 -0.62 0.06 0.00 0.04 0.00 0.00 32.58 31.76 1sou s HIS 191 CO 0.34 -0.08 0.04 -1.58 -2.34 0.00 0.00 174.74 171.12 1sou s HIS 192 N 0.10 0.89 0.09 3.88 2.46 -1.26 -5.06 115.29 116.38 1sou s HIS 192 Ca -0.01 -0.76 -0.36 0.00 0.47 0.00 0.00 55.06 54.40 1sou s HIS 192 Cb -0.07 -0.97 -0.17 0.00 -0.13 0.00 0.00 32.58 31.24 1sou s HIS 192 CO 0.00 -0.59 1.56 1.12 -2.47 0.00 0.00 174.74 174.37 1sou h HIS 193 N 8.27 -1.45 0.00 3.88 2.07 -2.04 -3.58 115.15 122.31 1sou h HIS 193 Ca -0.16 0.02 0.00 0.00 -2.85 0.00 0.00 60.37 57.38 1sou h HIS 193 Cb 1.12 0.57 0.00 0.00 2.57 0.00 0.00 27.41 31.68 1sou h HIS 193 CO 0.27 -0.67 0.00 -2.39 -3.07 0.00 0.00 177.93 172.07