#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 2.70 0.23 -0.89 4.77 -1.26 -3.96 117.00 118.58 1sou n LEU 2 Ca 0.00 -1.35 0.10 0.00 -0.03 0.00 0.00 56.01 54.73 1sou n LEU 2 Cb 0.00 -0.50 0.55 0.00 -2.33 0.00 0.00 43.42 41.14 1sou n LEU 2 CO 0.00 0.46 0.85 0.07 -1.33 0.00 0.00 177.39 177.44 1sou h LYS 3 N 0.02 0.00 0.00 3.23 2.10 -1.95 -2.39 116.57 117.58 1sou h LYS 3 Ca 0.00 0.00 -0.05 0.00 -2.00 0.00 0.00 60.65 58.60 1sou h LYS 3 Cb 0.92 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.25 1sou h LYS 3 CO 0.00 0.22 -0.26 0.66 -2.00 0.00 0.00 179.45 178.07 1sou h SER 4 N 0.00 0.00 0.48 7.07 4.64 -1.90 -1.88 113.55 121.96 1sou h SER 4 Ca -0.00 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 61.08 1sou h SER 4 Cb 0.58 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.67 1sou h SER 4 CO 0.03 0.26 -1.03 -0.33 -0.87 0.00 0.00 176.83 174.88 1sou h GLU 5 N 0.00 0.33 0.00 4.77 4.39 -1.74 -3.04 114.58 119.28 1sou h GLU 5 Ca -0.00 -0.41 -0.19 0.00 0.34 0.00 0.00 59.36 59.10 1sou h GLU 5 Cb 0.98 0.13 -0.03 0.00 -0.10 0.00 0.00 28.75 29.74 1sou h GLU 5 CO 0.03 1.12 -0.88 1.25 -1.16 0.00 0.00 179.01 179.37 1sou h LEU 6 N 0.16 0.00 -0.37 1.33 5.85 -1.51 -3.25 115.31 117.52 1sou h LEU 6 Ca -0.09 0.00 0.07 0.00 0.84 0.00 0.00 57.88 58.70 1sou h LEU 6 Cb 1.70 0.00 -0.07 0.00 0.37 0.00 0.00 40.66 42.66 1sou h LEU 6 CO 0.17 0.88 -0.05 -0.09 -0.34 0.00 0.00 178.44 179.01 1sou h ARG 7 N 0.00 0.04 -0.06 1.25 2.43 -1.23 -0.50 114.38 116.31 1sou h ARG 7 Ca -0.01 -0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 59.06 1sou h ARG 7 Cb 1.56 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 31.09 1sou h ARG 7 CO 0.11 0.03 -0.42 1.57 -1.51 0.00 0.00 179.97 179.75 1sou h LYS 8 N 0.04 0.14 -0.23 0.20 2.10 -1.62 -2.20 116.57 115.00 1sou h LYS 8 Ca 0.18 -0.07 -0.11 0.00 -2.00 0.00 0.00 60.65 58.65 1sou h LYS 8 Cb 0.26 -0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.59 1sou h LYS 8 CO -0.35 0.55 -0.28 -0.22 -2.00 0.00 0.00 179.45 177.15 1sou h LYS 9 N 0.12 0.60 -0.36 0.07 3.64 -1.28 0.06 116.57 119.43 1sou h LYS 9 Ca 0.01 -0.34 -0.17 0.00 -1.27 0.00 0.00 60.65 58.88 1sou h LYS 9 Cb 0.80 0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.64 1sou h LYS 9 CO 0.06 0.94 -0.43 0.28 -2.27 0.00 0.00 179.45 178.03 1sou h VAL 10 N 0.31 1.27 -0.20 2.00 2.07 -1.09 -2.84 116.25 117.76 1sou h VAL 10 Ca 0.03 -1.61 -0.06 0.00 0.82 0.00 0.00 66.70 65.88 1sou h VAL 10 Cb 0.85 1.45 -0.01 0.00 -1.52 0.00 0.00 31.29 32.06 1sou h VAL 10 CO 0.07 0.53 -0.16 -0.07 0.02 0.00 0.00 177.57 177.97 1sou h LEU 11 N 0.74 0.32 -0.90 2.57 3.38 -1.34 -1.48 115.31 118.60 1sou h LEU 11 Ca 0.05 -0.08 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 1sou h LEU 11 Cb 1.03 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 41.66 1sou h LEU 11 CO 0.10 0.50 0.39 -0.74 0.09 0.00 0.00 178.44 178.79 1sou h HIS 12 N 0.31 1.18 -0.22 1.13 2.76 -0.75 -1.80 115.15 117.76 1sou h HIS 12 Ca 0.06 -0.06 -0.19 0.00 -2.20 0.00 0.00 60.37 57.99 1sou h HIS 12 Cb 0.46 -0.37 0.00 0.00 1.55 0.00 0.00 27.41 29.06 1sou h HIS 12 CO 0.01 0.85 -0.61 0.87 -1.30 0.00 0.00 177.93 177.76 1sou h LYS 13 N 1.17 0.74 -0.77 5.26 1.57 -1.24 -2.96 116.57 120.34 1sou h LYS 13 Ca 0.28 -0.51 -0.00 0.00 -1.87 0.00 0.00 60.65 58.55 1sou h LYS 13 Cb 0.12 0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.46 1sou h LYS 13 CO -0.04 1.13 0.47 -0.09 -0.57 0.00 0.00 179.45 180.35 1sou h ARG 14 N 0.55 1.04 -0.09 3.15 2.43 -0.77 -2.12 114.38 118.58 1sou h ARG 14 Ca -0.00 -0.09 0.00 0.00 -0.81 0.00 0.00 59.98 59.07 1sou h ARG 14 Cb 1.20 -0.22 0.00 0.00 -0.42 0.00 0.00 29.97 30.53 1sou h ARG 14 CO 0.13 0.73 0.00 0.44 -1.51 0.00 0.00 179.97 179.76 1sou n ILE 15 N -4.49 0.10 0.09 1.20 -5.35 -0.72 -3.83 119.36 106.35 1sou n ILE 15 Ca 0.07 -0.32 -0.01 0.00 -0.27 0.00 0.00 62.75 62.22 1sou n ILE 15 Cb 0.05 0.51 -0.05 0.00 -1.74 0.00 0.00 39.64 38.42 1sou n ILE 15 CO 0.00 0.00 0.00 -1.13 -1.76 0.00 0.00 176.55 173.66 1sou h ASN 16 N 2.48 0.00 -3.96 7.28 -1.24 -1.20 -3.46 115.58 115.48 1sou h ASN 16 Ca 0.00 0.00 -0.52 0.00 0.71 0.00 0.00 56.30 56.49 1sou h ASN 16 Cb 0.53 0.00 0.08 0.00 0.73 0.00 0.00 38.32 39.67 1sou h ASN 16 CO 0.00 0.69 0.59 -0.76 -1.29 0.00 0.00 177.43 176.65 1sou s LEU 17 N -6.38 4.15 0.00 0.34 1.43 -1.23 -5.03 118.68 111.96 1sou s LEU 17 Ca 0.01 2.59 -0.06 0.00 -1.03 0.00 0.00 54.13 55.64 1sou s LEU 17 Cb 0.08 -4.00 0.13 0.00 0.03 0.00 0.00 46.19 42.43 1sou s LEU 17 CO 0.78 -0.92 0.81 -1.20 0.23 0.00 0.00 176.35 176.05 1sou n SER 18 N -0.08 0.48 0.05 2.29 7.64 -1.26 -4.79 113.62 117.95 1sou n SER 18 Ca 0.05 -1.55 -0.11 0.00 1.01 0.00 0.00 58.87 58.27 1sou n SER 18 Cb 0.45 -0.58 -0.05 0.00 -1.01 0.00 0.00 64.21 63.02 1sou n SER 18 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 1sou h GLU 19 N 0.00 -0.23 -0.30 1.43 4.39 -1.98 -1.51 114.58 116.38 1sou h GLU 19 Ca -0.26 0.02 0.07 0.00 0.34 0.00 0.00 59.36 59.52 1sou h GLU 19 Cb 0.83 0.05 -0.07 0.00 -0.10 0.00 0.00 28.75 29.46 1sou h GLU 19 CO 0.23 -0.15 -0.16 0.93 -1.16 0.00 0.00 179.01 178.70 1sou h GLU 20 N -0.24 -0.11 0.72 2.33 3.07 -1.98 0.43 114.58 118.80 1sou h GLU 20 Ca 0.05 0.01 -0.04 0.00 -0.50 0.00 0.00 59.36 58.89 1sou h GLU 20 Cb 0.31 0.03 0.01 0.00 -0.84 0.00 0.00 28.75 28.25 1sou h GLU 20 CO -0.15 -0.07 -0.34 0.93 -1.40 0.00 0.00 179.01 177.97 1sou h GLU 21 N -0.12 -0.93 -0.11 2.33 3.07 -1.91 -2.42 114.58 114.50 1sou h GLU 21 Ca 0.16 0.06 0.02 0.00 -0.50 0.00 0.00 59.36 59.10 1sou h GLU 21 Cb 0.35 0.21 -0.02 0.00 -0.84 0.00 0.00 28.75 28.45 1sou h GLU 21 CO -0.37 -0.59 -0.04 0.00 -1.40 0.00 0.00 179.01 176.61 1sou h ARG 22 N -1.11 -0.02 -0.81 2.33 3.08 -1.01 -0.29 114.38 116.56 1sou h ARG 22 Ca -0.10 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 59.92 1sou h ARG 22 Cb 0.76 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.78 1sou h ARG 22 CO 0.16 -0.01 0.39 -0.09 -1.07 0.00 0.00 179.97 179.35 1sou h ARG 23 N -0.02 1.16 -0.17 0.04 1.12 -0.21 0.15 114.38 116.45 1sou h ARG 23 Ca 0.06 -0.17 -0.10 0.00 -1.11 0.00 0.00 59.98 58.66 1sou h ARG 23 Cb 0.11 -0.21 -0.00 0.00 -0.01 0.00 0.00 29.97 29.86 1sou h ARG 23 CO -0.13 0.90 -0.28 -0.09 -3.11 0.00 0.00 179.97 177.26 1sou h ARG 24 N 1.14 0.48 -0.52 0.20 2.43 -1.17 -1.45 114.38 115.50 1sou h ARG 24 Ca 0.28 -0.30 -0.06 0.00 -0.81 0.00 0.00 59.98 59.09 1sou h ARG 24 Cb 0.12 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.68 1sou h ARG 24 CO -0.03 0.90 0.10 -0.07 -1.51 0.00 0.00 179.97 179.35 1sou h LEU 25 N 0.12 0.82 -0.87 3.80 3.38 -0.79 -0.90 115.31 120.87 1sou h LEU 25 Ca 0.01 -0.25 -0.05 0.00 0.09 0.00 0.00 57.88 57.68 1sou h LEU 25 Cb 0.87 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.36 1sou h LEU 25 CO 0.06 0.86 0.29 0.28 0.09 0.00 0.00 178.44 180.03 1sou h SER 26 N 0.74 1.04 -0.65 -0.43 0.02 -0.74 -0.96 113.55 112.57 1sou h SER 26 Ca 0.16 -0.16 0.02 0.00 -0.84 0.00 0.00 61.79 60.97 1sou h SER 26 Cb 0.38 -0.27 -0.04 0.00 0.14 0.00 0.00 62.40 62.62 1sou h SER 26 CO 0.01 0.92 0.41 -0.08 -1.14 0.00 0.00 176.83 176.96 1sou h GLU 27 N 1.09 0.80 -0.10 3.45 4.81 -0.84 0.15 114.58 123.95 1sou h GLU 27 Ca 0.25 -0.05 0.03 0.00 -0.13 0.00 0.00 59.36 59.47 1sou h GLU 27 Cb 0.22 -0.18 -0.04 0.00 0.63 0.00 0.00 28.75 29.38 1sou h GLU 27 CO -0.02 0.53 -0.11 0.87 -0.73 0.00 0.00 179.01 179.55 1sou h LYS 28 N 0.83 -0.14 -0.60 1.92 1.57 -0.58 0.56 116.57 120.12 1sou h LYS 28 Ca 0.25 0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 59.01 1sou h LYS 28 Cb -0.04 0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.28 1sou h LYS 28 CO -0.08 -0.09 0.26 0.28 -0.57 0.00 0.00 179.45 179.25 1sou h VAL 29 N -0.15 1.22 0.02 0.50 2.07 -0.69 0.13 116.25 119.35 1sou h VAL 29 Ca 0.08 -0.66 -0.00 0.00 0.82 0.00 0.00 66.70 66.93 1sou h VAL 29 Cb 0.25 0.54 0.00 0.00 -1.52 0.00 0.00 31.29 30.57 1sou h VAL 29 CO -0.19 0.26 -0.01 0.40 0.02 0.00 0.00 177.57 178.06 1sou h ILE 30 N 0.83 1.07 -0.50 4.57 2.04 -0.51 0.14 117.51 125.15 1sou h ILE 30 Ca 0.20 -0.29 0.01 0.00 1.00 0.00 0.00 64.86 65.79 1sou h ILE 30 Cb 0.17 1.27 -0.03 0.00 -0.74 0.00 0.00 36.82 37.48 1sou h ILE 30 CO -0.02 0.07 0.32 -1.28 0.00 0.00 0.00 178.15 177.24 1sou h SER 31 N -0.16 0.54 -0.69 1.72 0.87 -0.71 -0.47 113.55 114.65 1sou h SER 31 Ca -0.00 -0.01 -0.04 0.00 -1.23 0.00 0.00 61.79 60.51 1sou h SER 31 Cb 0.15 -0.12 -0.03 0.00 -0.44 0.00 0.00 62.40 61.95 1sou h SER 31 CO 0.01 0.38 0.26 -1.13 -0.53 0.00 0.00 176.83 175.82 1sou h ASN 32 N 0.64 0.96 -0.62 6.23 -1.24 -0.60 0.40 115.58 121.35 1sou h ASN 32 Ca 0.19 -0.18 -0.04 0.00 0.71 0.00 0.00 56.30 56.98 1sou h ASN 32 Cb -0.04 -0.25 -0.03 0.00 0.73 0.00 0.00 38.32 38.74 1sou h ASN 32 CO -0.06 0.88 0.24 0.25 -1.29 0.00 0.00 177.43 177.45 1sou h LEU 33 N 0.98 0.86 -0.93 0.34 5.85 -0.26 -1.78 115.31 120.36 1sou h LEU 33 Ca 0.23 -0.18 -0.02 0.00 0.84 0.00 0.00 57.88 58.76 1sou h LEU 33 Cb 0.23 -0.22 -0.00 0.00 0.37 0.00 0.00 40.66 41.03 1sou h LEU 33 CO -0.02 0.80 -0.07 0.11 -0.34 0.00 0.00 178.44 178.92 1sou h LYS 34 N 0.86 0.00 0.00 1.25 1.57 -0.74 -2.61 116.57 116.90 1sou h LYS 34 Ca 0.21 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.87 1sou h LYS 34 Cb 0.22 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.51 1sou h LYS 34 CO -0.02 0.07 -0.53 0.77 -0.57 0.00 0.00 179.45 179.18 1sou h SER 35 N 0.00 0.00 -2.75 0.86 0.02 -0.11 -3.45 113.55 108.12 1sou h SER 35 Ca -0.00 0.00 -0.55 0.00 -0.84 0.00 0.00 61.79 60.40 1sou h SER 35 Cb 0.74 0.00 0.07 0.00 0.14 0.00 0.00 62.40 63.35 1sou h SER 35 CO 0.01 0.53 0.84 0.18 -1.14 0.00 0.00 176.83 177.24 1sou n LEU 36 N -3.53 3.70 0.30 5.07 4.77 -0.79 -4.86 117.00 121.65 1sou n LEU 36 Ca -0.00 1.11 0.16 0.00 -0.03 0.00 0.00 56.01 57.25 1sou n LEU 36 Cb 0.62 -1.51 0.93 0.00 -2.33 0.00 0.00 43.42 41.12 1sou n LEU 36 CO 0.40 -0.08 1.10 -0.65 -1.33 0.00 0.00 177.39 176.83 1sou h PRO 37 N 5.45 0.00 -0.00 3.23 0.11 -1.87 -1.55 132.00 137.37 1sou h PRO 37 Ca -0.45 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.62 1sou h PRO 37 Cb 1.24 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.34 1sou h PRO 37 CO 0.85 0.03 -0.20 0.93 -0.21 0.00 0.00 178.00 179.40 1sou h GLU 38 N 0.00 0.01 -0.41 1.05 4.39 -1.90 -2.28 114.58 115.44 1sou h GLU 38 Ca -0.00 -0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.57 1sou h GLU 38 Cb 0.09 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.73 1sou h GLU 38 CO 0.00 0.20 -0.24 0.35 -1.16 0.00 0.00 179.01 178.17 1sou h PHE 39 N 0.01 0.97 0.00 4.33 3.57 -1.48 0.18 116.94 124.51 1sou h PHE 39 Ca -0.00 -0.23 -0.07 0.00 3.53 0.00 0.00 57.97 61.20 1sou h PHE 39 Cb 0.35 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 38.86 1sou h PHE 39 CO 0.00 0.99 -0.34 0.87 -2.23 0.00 0.00 178.31 177.61 1sou h LYS 40 N 0.73 0.00 0.00 1.11 1.57 -1.55 -2.28 116.57 116.15 1sou h LYS 40 Ca 0.09 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 1sou h LYS 40 Cb 0.78 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.09 1sou h LYS 40 CO 0.06 0.34 -0.29 1.63 -0.57 0.00 0.00 179.45 180.62 1sou n LYS 41 N -3.62 0.19 -1.94 3.15 5.02 -0.79 -4.86 118.16 115.31 1sou n LYS 41 Ca -0.01 0.10 -0.42 0.00 -2.02 0.00 0.00 58.31 55.96 1sou n LYS 41 Cb 0.46 -1.67 -0.03 0.00 -0.02 0.00 0.00 35.03 33.77 1sou n LYS 41 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1sou s SER 42 N -3.96 6.62 -0.13 4.39 0.01 0.56 -4.86 113.70 116.34 1sou s SER 42 Ca 0.10 2.36 -0.10 0.00 1.31 0.00 0.00 55.95 59.62 1sou s SER 42 Cb 0.15 -2.54 -0.06 0.00 0.21 0.00 0.00 66.02 63.77 1sou s SER 42 CO 0.64 -0.93 -0.23 0.29 0.41 0.00 0.00 173.24 173.42 1sou n LYS 43 N 6.74 0.37 -3.49 12.44 5.02 -1.26 -4.89 118.16 133.09 1sou n LYS 43 Ca 0.17 0.15 -0.42 0.00 -2.02 0.00 0.00 58.31 56.19 1sou n LYS 43 Cb 0.42 -1.13 -0.07 0.00 -0.02 0.00 0.00 35.03 34.23 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 -2.46 2.62 -0.44 1.97 -0.14 -1.26 -2.57 119.74 117.47 1sou s LYS 44 Ca -0.22 -1.77 -0.17 0.00 -1.36 0.00 0.00 55.97 52.45 1sou s LYS 44 Cb 0.06 -4.03 0.03 0.00 -1.68 0.00 0.00 37.83 32.22 1sou s LYS 44 CO 0.30 -1.23 0.42 0.08 -0.76 0.00 0.00 175.35 174.16 1sou s VAL 45 N 1.39 5.12 -0.12 3.17 1.01 0.17 -0.64 120.40 130.50 1sou s VAL 45 Ca 0.05 -0.53 -0.06 0.00 0.00 0.00 0.00 61.98 61.44 1sou s VAL 45 Cb -0.27 -4.06 -0.04 0.00 0.00 0.00 0.00 36.38 32.01 1sou s VAL 45 CO 0.00 -0.47 0.09 0.00 0.00 0.00 0.00 175.10 174.73 1sou s ALA 46 N 2.03 3.66 0.04 5.51 0.00 0.46 -0.39 121.76 133.06 1sou s ALA 46 Ca 0.10 -0.70 0.09 0.00 0.00 0.00 0.00 51.96 51.45 1sou s ALA 46 Cb -0.19 -1.84 -0.03 0.00 0.00 0.00 0.00 23.12 21.06 1sou s ALA 46 CO 0.12 0.54 -0.26 -0.51 0.00 0.00 0.00 175.76 175.64 1sou s LEU 47 N -0.77 2.16 0.00 0.00 1.43 -0.15 -0.47 118.68 120.88 1sou s LEU 47 Ca 0.13 -0.58 0.30 0.00 -1.03 0.00 0.00 54.13 52.95 1sou s LEU 47 Cb -0.12 -1.28 1.44 0.00 0.03 0.00 0.00 46.19 46.26 1sou s LEU 47 CO 0.03 0.26 1.99 0.00 0.23 0.00 0.00 176.35 178.86 1sou n TYR 48 N 1.82 0.00 -2.56 0.29 9.36 -0.90 -4.22 117.16 120.95 1sou n TYR 48 Ca -0.17 0.00 -0.02 0.00 3.32 0.00 0.00 57.90 61.04 1sou n TYR 48 Cb 0.52 -0.18 -0.01 0.00 -0.63 0.00 0.00 39.34 39.03 1sou n TYR 48 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1sou s PRO 50 N -1.25 4.38 0.00 0.00 0.04 -1.26 -4.91 135.00 131.99 1sou s PRO 50 Ca -0.08 2.07 0.00 0.00 0.04 0.00 0.00 61.00 63.03 1sou s PRO 50 Cb 0.01 -3.20 0.00 0.00 0.04 0.00 0.00 34.50 31.35 1sou s PRO 50 CO 0.71 -0.28 0.00 -0.89 0.04 0.00 0.00 177.00 176.58 1sou n ILE 51 N 2.75 0.00 -1.31 0.56 -0.00 -1.26 -4.72 119.36 115.37 1sou n ILE 51 Ca 0.07 0.00 -0.31 0.00 -0.00 0.00 0.00 62.75 62.50 1sou n ILE 51 Cb 0.43 -0.68 0.06 0.00 -0.00 0.00 0.00 39.64 39.44 1sou n ILE 51 CO 0.00 0.00 0.00 0.29 -0.00 0.00 0.00 176.55 176.84 1sou n LYS 52 N -2.20 2.50 0.00 0.38 4.01 -1.26 -4.93 118.16 116.66 1sou n LYS 52 Ca 0.00 -2.92 0.00 0.00 -0.51 0.00 0.00 58.31 54.88 1sou n LYS 52 Cb 0.47 -2.14 0.00 0.00 -0.51 0.00 0.00 35.03 32.85 1sou n LYS 52 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1sou n GLY 53 N -0.54 2.13 3.59 0.72 0.00 -1.26 -4.56 105.19 105.28 1sou n GLY 53 Ca 0.55 -0.10 -0.27 0.00 0.00 0.00 0.00 46.02 46.20 1sou n GLY 53 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1sou n GLU 54 N 0.00 -5.40 -1.09 1.61 1.02 -1.26 -4.17 120.64 111.34 1sou n GLU 54 Ca 0.00 0.67 0.00 0.00 -0.02 0.00 0.00 57.16 57.81 1sou n GLU 54 Cb 0.00 -5.55 0.00 0.00 -0.02 0.00 0.00 31.44 25.87 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 -4.57 -6.16 -2.03 2.62 0.31 -1.26 -4.77 118.33 102.48 1sou n VAL 55 Ca -0.00 1.22 -0.27 0.00 -0.01 0.00 0.00 64.34 65.29 1sou n VAL 55 Cb 0.55 -3.35 -0.06 0.00 -0.91 0.00 0.00 33.84 30.07 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 -0.19 4.95 0.00 4.52 1.01 -1.26 -4.61 116.67 121.10 1sou s ASP 56 Ca 0.00 -1.31 0.27 0.00 0.71 0.00 0.00 52.55 52.22 1sou s ASP 56 Cb 0.00 -2.58 0.81 0.00 1.01 0.00 0.00 42.92 42.16 1sou s ASP 56 CO 0.00 -3.10 1.60 0.18 0.21 0.00 0.00 175.17 174.06 1sou n LEU 57 N 14.66 1.02 -0.08 1.23 4.77 -1.26 -4.21 117.00 133.12 1sou n LEU 57 Ca 0.43 -0.26 -0.09 0.00 -0.03 0.00 0.00 56.01 56.06 1sou n LEU 57 Cb 0.47 -0.12 -0.02 0.00 -2.33 0.00 0.00 43.42 41.42 1sou n LEU 57 CO 0.65 0.19 0.95 0.74 -1.33 0.00 0.00 177.39 178.58 1sou h THR 58 N 1.24 1.12 0.00 -5.08 2.02 -1.94 -1.68 112.91 108.59 1sou h THR 58 Ca 0.00 -0.31 0.00 0.00 0.77 0.00 0.00 66.41 66.87 1sou h THR 58 Cb 0.50 0.80 0.00 0.00 -1.74 0.00 0.00 68.15 67.71 1sou h THR 58 CO 0.00 0.12 0.00 -2.65 0.37 0.00 0.00 175.52 173.36 1sou n PRO 59 N -4.83 0.19 0.00 6.66 -0.02 -1.26 -1.59 135.00 134.15 1sou n PRO 59 Ca -0.02 0.12 0.11 0.00 -2.02 0.00 0.00 63.50 61.70 1sou n PRO 59 Cb 0.07 -1.50 0.13 0.00 -0.02 0.00 0.00 33.50 32.18 1sou n PRO 59 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 1sou n LEU 60 N -1.17 0.68 0.06 2.45 7.94 -0.63 -4.30 117.00 122.03 1sou n LEU 60 Ca 0.05 -0.17 -0.11 0.00 -1.11 0.00 0.00 56.01 54.67 1sou n LEU 60 Cb 0.05 -0.17 -0.05 0.00 0.53 0.00 0.00 43.42 43.79 1sou n LEU 60 CO 0.06 0.17 0.69 -0.26 -1.11 0.00 0.00 177.39 176.94 1sou h PHE 61 N 0.05 -0.68 -1.01 1.96 -1.00 -1.31 -1.52 116.94 113.44 1sou h PHE 61 Ca 0.00 0.02 0.09 0.00 2.81 0.00 0.00 57.97 60.89 1sou h PHE 61 Cb 0.50 0.30 -0.07 0.00 3.61 0.00 0.00 35.95 40.29 1sou h PHE 61 CO 0.00 -0.34 0.64 -1.00 -1.61 0.00 0.00 178.31 176.00 1sou h PRO 62 N -0.39 1.07 -0.79 1.51 0.13 -1.80 0.97 132.00 132.70 1sou h PRO 62 Ca 0.06 -0.06 0.04 0.00 -0.87 0.00 0.00 66.00 65.16 1sou h PRO 62 Cb 0.47 -0.24 -0.05 0.00 0.13 0.00 0.00 31.00 31.31 1sou h PRO 62 CO -0.22 0.71 0.50 0.93 -0.23 0.00 0.00 178.00 179.69 1sou h GLU 63 N 1.11 0.93 -0.02 0.86 4.39 -1.65 0.13 114.58 120.32 1sou h GLU 63 Ca 0.46 -0.06 -0.08 0.00 0.34 0.00 0.00 59.36 60.03 1sou h GLU 63 Cb 0.30 -0.21 0.01 0.00 -0.10 0.00 0.00 28.75 28.74 1sou h GLU 63 CO -0.21 0.62 -0.29 0.28 -1.16 0.00 0.00 179.01 178.25 1sou h VAL 64 N 0.96 1.49 0.00 3.13 2.07 -0.49 -3.18 116.25 120.24 1sou h VAL 64 Ca 0.32 -1.86 -0.00 0.00 0.82 0.00 0.00 66.70 65.98 1sou h VAL 64 Cb 0.03 2.60 -0.00 0.00 -1.52 0.00 0.00 31.29 32.40 1sou h VAL 64 CO -0.12 0.52 -0.00 -0.07 0.02 0.00 0.00 177.57 177.92 1sou h LEU 65 N -0.36 0.00 -1.16 2.57 3.38 -0.65 0.17 115.31 119.26 1sou h LEU 65 Ca -0.03 0.00 0.04 0.00 0.09 0.00 0.00 57.88 57.98 1sou h LEU 65 Cb 1.00 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.70 1sou h LEU 65 CO 0.06 0.00 0.58 0.50 0.09 0.00 0.00 178.44 179.67 1sou h LYS 66 N 0.00 1.05 0.00 1.13 3.11 -0.72 -3.41 116.57 117.73 1sou h LYS 66 Ca -0.00 -0.06 0.00 0.00 -2.81 0.00 0.00 60.65 57.78 1sou h LYS 66 Cb 0.01 -0.24 0.00 0.00 -1.00 0.00 0.00 32.23 31.01 1sou h LYS 66 CO 0.00 0.69 -0.09 -0.85 -2.81 0.00 0.00 179.45 176.40 1sou n GLU 67 N -4.45 0.00 -1.50 1.90 0.28 -0.78 -5.11 120.64 110.97 1sou n GLU 67 Ca 0.12 0.00 -0.07 0.00 -0.16 0.00 0.00 57.16 57.05 1sou n GLU 67 Cb 0.12 -0.23 0.03 0.00 1.43 0.00 0.00 31.44 32.79 1sou n GLU 67 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1sou n LYS 68 N -2.19 0.64 -3.72 3.44 5.02 0.52 -5.08 118.16 116.79 1sou n LYS 68 Ca 0.00 -1.01 -0.35 0.00 -2.02 0.00 0.00 58.31 54.93 1sou n LYS 68 Cb 0.04 -0.15 -0.09 0.00 -0.02 0.00 0.00 35.03 34.82 1sou n LYS 68 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1sou s GLU 69 N -3.09 4.14 -0.39 1.97 2.02 -1.06 -4.44 118.70 117.85 1sou s GLU 69 Ca 0.22 -0.24 -0.14 0.00 0.02 0.00 0.00 54.97 54.83 1sou s GLU 69 Cb -0.01 -3.45 0.02 0.00 0.10 0.00 0.00 34.13 30.78 1sou s GLU 69 CO 0.14 0.22 0.27 -1.17 0.02 0.00 0.00 175.26 174.74 1sou s LEU 70 N 0.59 4.95 -0.27 1.80 2.96 -0.82 -0.65 118.68 127.23 1sou s LEU 70 Ca 0.08 -0.85 -0.14 0.00 -0.22 0.00 0.00 54.13 52.99 1sou s LEU 70 Cb -0.12 -2.13 -0.04 0.00 0.50 0.00 0.00 46.19 44.40 1sou s LEU 70 CO 0.00 -0.41 0.35 -0.63 -1.32 0.00 0.00 176.35 174.35 1sou s ILE 71 N 1.66 5.19 0.06 6.68 1.01 0.47 -0.35 121.20 135.91 1sou s ILE 71 Ca 0.05 0.51 0.08 0.00 0.00 0.00 0.00 60.65 61.29 1sou s ILE 71 Cb -0.19 -3.68 -0.03 0.00 0.01 0.00 0.00 42.46 38.57 1sou s ILE 71 CO 0.09 0.16 -0.23 -0.76 0.00 0.00 0.00 174.94 174.20 1sou s LEU 72 N 2.03 2.19 -0.16 2.97 1.43 0.13 -0.98 118.68 126.31 1sou s LEU 72 Ca 0.14 -0.58 -0.18 0.00 -1.03 0.00 0.00 54.13 52.47 1sou s LEU 72 Cb -0.16 -1.11 -0.04 0.00 0.03 0.00 0.00 46.19 44.92 1sou s LEU 72 CO 0.10 0.19 0.50 -2.16 0.23 0.00 0.00 176.35 175.22 1sou s PRO 73 N -1.35 4.27 -0.20 1.29 0.04 -1.26 -1.10 135.00 136.69 1sou s PRO 73 Ca 0.10 0.45 -0.06 0.00 0.04 0.00 0.00 61.00 61.52 1sou s PRO 73 Cb -0.09 -3.50 -0.03 0.00 0.04 0.00 0.00 34.50 30.92 1sou s PRO 73 CO 0.02 0.01 0.04 0.21 0.04 0.00 0.00 177.00 177.32 1sou s LYS 74 N 1.11 3.78 -0.17 4.56 2.20 0.44 -4.72 119.74 126.94 1sou s LYS 74 Ca 0.25 -0.44 -0.15 0.00 -0.36 0.00 0.00 55.97 55.28 1sou s LYS 74 Cb -0.15 -3.18 -0.04 0.00 -1.51 0.00 0.00 37.83 32.94 1sou s LYS 74 CO 0.10 0.09 0.35 0.08 -0.36 0.00 0.00 175.35 175.60 1sou s VAL 75 N 0.85 5.26 -0.29 4.02 1.01 -1.26 -0.40 120.40 129.59 1sou s VAL 75 Ca 0.02 0.64 -0.04 0.00 0.00 0.00 0.00 61.98 62.60 1sou s VAL 75 Cb -0.14 -3.68 0.10 0.00 0.00 0.00 0.00 36.38 32.66 1sou s VAL 75 CO 0.02 0.33 0.12 -0.70 0.00 0.00 0.00 175.10 174.88 1sou s GLU 76 N 0.79 0.24 5.23 2.72 2.12 -0.34 -4.13 118.70 125.35 1sou s GLU 76 Ca 0.18 -0.57 0.00 0.00 0.36 0.00 0.00 54.97 54.94 1sou s GLU 76 Cb -0.14 -1.27 0.00 0.00 0.26 0.00 0.00 34.13 32.98 1sou s GLU 76 CO 0.06 -1.00 0.00 0.41 -0.54 0.00 0.00 175.26 174.19 1sou n GLY 77 N 5.21 1.24 0.26 -1.50 0.00 -1.26 -1.20 105.19 107.94 1sou n GLY 77 Ca -0.06 0.25 0.07 0.00 0.00 0.00 0.00 46.02 46.29 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 9.90 1.75 -4.45 1.61 2.85 -1.26 -5.02 115.26 120.64 1sou n ASN 78 Ca 0.00 -2.91 -0.28 0.00 -0.11 0.00 0.00 54.58 51.28 1sou n ASN 78 Cb 0.00 -0.39 -0.12 0.00 1.24 0.00 0.00 39.78 40.52 1sou n ASN 78 CO 0.00 0.00 0.00 -1.83 -2.11 0.00 0.00 177.26 173.32 1sou s GLU 79 N -2.22 1.61 -0.08 1.20 4.04 -0.34 -5.08 118.70 117.83 1sou s GLU 79 Ca 0.26 -1.42 0.02 0.00 0.04 0.00 0.00 54.97 53.87 1sou s GLU 79 Cb 0.23 -1.93 0.01 0.00 0.02 0.00 0.00 34.13 32.47 1sou s GLU 79 CO 0.01 0.42 -0.12 -1.50 -1.84 0.00 0.00 175.26 172.23 1sou s ILE 80 N -1.50 1.21 -0.40 1.83 2.07 -1.26 -1.19 121.20 121.96 1sou s ILE 80 Ca 0.20 -0.50 -0.11 0.00 -1.41 0.00 0.00 60.65 58.83 1sou s ILE 80 Cb -0.09 -1.11 0.04 0.00 0.13 0.00 0.00 42.46 41.43 1sou s ILE 80 CO 0.10 0.38 0.24 -0.44 -1.91 0.00 0.00 174.94 173.31 1sou s SER 81 N 0.84 5.79 -0.66 4.50 0.01 0.46 -4.92 113.70 119.72 1sou s SER 81 Ca -0.11 -1.12 -0.24 0.00 1.31 0.00 0.00 55.95 55.79 1sou s SER 81 Cb -0.15 -2.04 0.05 0.00 0.21 0.00 0.00 66.02 64.09 1sou s SER 81 CO 0.02 -0.45 1.05 -0.76 0.41 0.00 0.00 173.24 173.51 1sou s LEU 82 N 1.55 3.98 -0.15 2.44 1.43 -1.26 -0.42 118.68 126.24 1sou s LEU 82 Ca 0.02 -0.71 -0.14 0.00 -1.03 0.00 0.00 54.13 52.28 1sou s LEU 82 Cb -0.20 -2.54 -0.05 0.00 0.03 0.00 0.00 46.19 43.42 1sou s LEU 82 CO 0.06 -1.52 0.29 -0.31 0.23 0.00 0.00 176.35 175.10 1sou s TYR 83 N 4.53 3.48 -0.12 0.29 2.02 -0.26 -0.77 117.35 126.51 1sou s TYR 83 Ca 0.28 0.61 -0.17 0.00 -0.37 0.00 0.00 57.07 57.41 1sou s TYR 83 Cb -0.13 -2.33 -0.04 0.00 -0.40 0.00 0.00 41.96 39.06 1sou s TYR 83 CO 0.13 0.27 0.44 -0.98 -1.57 0.00 0.00 175.55 173.85 1sou s ARG 84 N 0.36 4.32 0.01 -0.62 1.70 -0.38 -0.69 118.95 123.65 1sou s ARG 84 Ca 0.17 0.39 0.06 0.00 -0.47 0.00 0.00 55.73 55.87 1sou s ARG 84 Cb -0.13 -3.43 -0.02 0.00 -0.57 0.00 0.00 34.95 30.80 1sou s ARG 84 CO 0.04 0.18 -0.17 0.08 -1.08 0.00 0.00 175.30 174.35 1sou s VAL 85 N 0.57 1.36 -0.01 4.99 1.01 0.52 -3.76 120.40 125.08 1sou s VAL 85 Ca 0.24 -0.88 0.02 0.00 0.00 0.00 0.00 61.98 61.36 1sou s VAL 85 Cb -0.15 -1.16 0.03 0.00 0.00 0.00 0.00 36.38 35.10 1sou s VAL 85 CO 0.09 0.26 0.80 1.57 0.00 0.00 0.00 175.10 177.82 1sou n HIS 86 N 2.33 0.00 -3.97 5.22 -0.00 -1.26 -1.95 115.22 115.59 1sou n HIS 86 Ca -0.16 -0.17 -0.21 0.00 -0.00 0.00 0.00 57.72 57.18 1sou n HIS 86 Cb 0.54 -0.04 -0.17 0.00 -0.00 0.00 0.00 29.99 30.32 1sou n HIS 86 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 176.34 175.22 1sou s SER 87 N -0.76 1.19 0.44 0.26 0.01 -1.26 -4.98 113.70 108.60 1sou s SER 87 Ca 0.03 -0.10 0.12 0.00 1.31 0.00 0.00 55.95 57.31 1sou s SER 87 Cb 0.03 -0.43 0.99 0.00 0.21 0.00 0.00 66.02 66.82 1sou s SER 87 CO 0.00 -0.12 2.03 -0.65 0.41 0.00 0.00 173.24 174.92 1sou h PRO 88 N 7.69 0.20 0.00 12.44 0.11 -1.97 -2.59 132.00 147.87 1sou h PRO 88 Ca -0.31 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.78 1sou h PRO 88 Cb 1.14 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1sou h PRO 88 CO 0.38 0.22 0.00 0.00 -0.21 0.00 0.00 178.00 178.40 1sou n ALA 89 N -2.51 2.16 0.68 -0.75 0.00 -1.26 -1.96 120.51 116.87 1sou n ALA 89 Ca -0.01 -0.11 0.12 0.00 0.00 0.00 0.00 53.44 53.43 1sou n ALA 89 Cb 0.16 -1.32 0.25 0.00 0.00 0.00 0.00 19.45 18.54 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 -1.58 3.90 0.00 0.00 1.43 -0.83 -0.63 118.68 120.97 1sou s LEU 91 Ca 0.36 0.06 0.00 0.00 -1.03 0.00 0.00 54.13 53.52 1sou s LEU 91 Cb 0.21 -2.50 0.00 0.00 0.03 0.00 0.00 46.19 43.92 1sou s LEU 91 CO 0.30 0.19 0.00 0.61 0.23 0.00 0.00 176.35 177.68 1sou n GLY 92 N 0.59 -0.85 3.29 -3.19 0.00 -0.55 -4.85 105.19 99.63 1sou n GLY 92 Ca -0.09 -0.16 -0.32 0.00 0.00 0.00 0.00 46.02 45.45 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 -4.00 2.34 0.00 1.61 1.01 -1.26 -0.07 120.40 120.03 1sou s VAL 93 Ca 0.00 -0.94 0.00 0.00 0.00 0.00 0.00 61.98 61.04 1sou s VAL 93 Cb 0.00 -1.90 0.00 0.00 0.00 0.00 0.00 36.38 34.48 1sou s VAL 93 CO 0.00 0.56 0.00 0.61 0.00 0.00 0.00 175.10 176.27 1sou n GLY 94 N 3.18 1.22 0.47 4.51 0.00 -1.26 -4.97 105.19 108.34 1sou n GLY 94 Ca -0.18 -0.09 0.08 0.00 0.00 0.00 0.00 46.02 45.82 1sou n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sou n ALA 95 N -3.00 2.88 0.00 4.61 0.00 -1.26 -4.56 120.51 119.18 1sou n ALA 95 Ca 0.00 -0.57 0.00 0.00 0.00 0.00 0.00 53.44 52.87 1sou n ALA 95 Cb 0.00 -0.55 0.00 0.00 0.00 0.00 0.00 19.45 18.90 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 0.28 0.00 0.00 0.00 7.35 -1.26 -4.82 117.46 119.01 1sou n PHE 96 Ca 0.08 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.77 1sou n PHE 96 Cb 0.36 0.03 0.00 0.00 0.35 0.00 0.00 39.48 40.22 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 3.01 1.95 3.63 7.13 0.00 -1.26 -5.14 105.19 114.52 1sou n GLY 97 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 1sou n GLY 97 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1sou s ILE 98 N -2.00 1.51 -0.96 -0.61 -4.36 -1.26 -4.99 121.20 108.53 1sou s ILE 98 Ca 0.00 -2.00 -0.24 0.00 -0.26 0.00 0.00 60.65 58.15 1sou s ILE 98 Cb 0.00 -2.66 -0.05 0.00 1.25 0.00 0.00 42.46 41.00 1sou s ILE 98 CO 0.00 0.00 1.94 -0.32 0.24 0.00 0.00 174.94 176.80 1sou s MET 99 N -3.79 2.55 0.29 0.37 -2.45 -1.26 -4.14 119.30 110.88 1sou s MET 99 Ca 0.25 -0.46 0.11 0.00 -1.25 0.00 0.00 55.69 54.33 1sou s MET 99 Cb 0.07 -5.10 -0.05 0.00 1.25 0.00 0.00 34.83 30.99 1sou s MET 99 CO 0.13 -3.49 -0.16 -1.83 1.05 0.00 0.00 175.02 170.72 1sou s GLU 100 N 6.89 1.67 -0.06 4.11 -1.05 0.90 -4.88 118.70 126.29 1sou s GLU 100 Ca 0.70 -1.80 -0.30 0.00 -0.15 0.00 0.00 54.97 53.42 1sou s GLU 100 Cb -0.05 -1.65 -0.03 0.00 -0.44 0.00 0.00 34.13 31.96 1sou s GLU 100 CO 0.02 0.25 1.17 -2.14 0.95 0.00 0.00 175.26 175.50 1sou s PRO 101 N -3.56 4.37 0.03 -4.83 0.02 -1.26 -1.49 135.00 128.28 1sou s PRO 101 Ca 0.30 1.63 -0.17 0.00 0.02 0.00 0.00 61.00 62.78 1sou s PRO 101 Cb -0.02 -3.55 -0.26 0.00 0.02 0.00 0.00 34.50 30.69 1sou s PRO 101 CO 0.14 -0.42 1.10 0.28 -0.33 0.00 0.00 177.00 177.78 1sou h VAL 102 N 5.00 1.35 -4.35 3.83 2.07 -1.20 -3.47 116.25 119.48 1sou h VAL 102 Ca -0.34 -2.29 -0.37 0.00 0.82 0.00 0.00 66.70 64.52 1sou h VAL 102 Cb 1.16 2.63 -0.14 0.00 -1.52 0.00 0.00 31.29 33.42 1sou h VAL 102 CO 0.87 0.69 -0.57 -1.61 0.02 0.00 0.00 177.57 176.97 1sou s GLU 103 N -3.08 1.49 0.00 1.57 2.02 -1.24 -5.11 118.70 114.36 1sou s GLU 103 Ca -0.11 -1.84 0.00 0.00 0.02 0.00 0.00 54.97 53.04 1sou s GLU 103 Cb 0.05 0.10 0.00 0.00 0.10 0.00 0.00 34.13 34.38 1sou s GLU 103 CO 0.89 -0.47 0.00 0.41 0.02 0.00 0.00 175.26 176.11 1sou n GLY 104 N -0.49 0.90 3.36 -1.39 0.00 -1.26 -4.93 105.19 101.39 1sou n GLY 104 Ca 0.03 -1.95 -0.35 0.00 0.00 0.00 0.00 46.02 43.75 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 -1.71 3.46 -0.12 1.61 2.02 -1.25 -4.96 118.70 117.75 1sou s GLU 105 Ca 0.00 -0.59 -0.25 0.00 0.02 0.00 0.00 54.97 54.15 1sou s GLU 105 Cb 0.00 -3.02 -0.02 0.00 0.10 0.00 0.00 34.13 31.19 1sou s GLU 105 CO 0.00 -0.11 0.82 -0.98 0.02 0.00 0.00 175.26 175.01 1sou s ARG 106 N 1.27 4.37 0.31 1.61 1.70 -1.26 -1.25 118.95 125.70 1sou s ARG 106 Ca 0.03 1.04 0.08 0.00 -0.47 0.00 0.00 55.73 56.42 1sou s ARG 106 Cb -0.14 -3.53 -0.06 0.00 -0.57 0.00 0.00 34.95 30.65 1sou s ARG 106 CO -0.01 -0.20 -0.09 0.08 -1.08 0.00 0.00 175.30 174.00 1sou s VAL 107 N 1.68 1.98 0.55 4.99 1.01 0.05 -4.97 120.40 125.69 1sou s VAL 107 Ca 0.40 -2.19 -0.17 0.00 0.00 0.00 0.00 61.98 60.02 1sou s VAL 107 Cb -0.17 -2.51 -0.06 0.00 0.00 0.00 0.00 36.38 33.64 1sou s VAL 107 CO 0.16 -0.28 1.05 0.20 0.00 0.00 0.00 175.10 176.23 1sou s ASN 108 N -3.52 6.02 0.10 3.32 0.02 -1.26 -4.46 114.94 115.16 1sou s ASN 108 Ca 0.31 1.85 0.10 0.00 -1.02 0.00 0.00 52.86 54.09 1sou s ASN 108 Cb 0.02 -2.54 0.48 0.00 0.02 0.00 0.00 41.25 39.24 1sou s ASN 108 CO 0.14 -1.00 1.31 -0.81 0.02 0.00 0.00 177.10 176.76 1sou n PRO 109 N -1.63 0.05 0.27 -0.60 -0.04 -1.26 -1.56 135.00 130.22 1sou n PRO 109 Ca 0.09 0.48 0.16 0.00 -0.04 0.00 0.00 63.50 64.19 1sou n PRO 109 Cb 0.53 -1.64 0.63 0.00 -0.04 0.00 0.00 33.50 32.97 1sou n PRO 109 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1sou h GLU 110 N 0.00 0.00 0.00 0.54 4.81 -1.92 -2.56 114.58 115.45 1sou h GLU 110 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1sou h GLU 110 Cb 0.08 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.46 1sou h GLU 110 CO 0.00 0.02 0.00 0.22 -0.73 0.00 0.00 179.01 178.52 1sou h ASP 111 N 0.00 0.00 -2.86 1.04 3.58 -1.67 -3.45 116.42 113.06 1sou h ASP 111 Ca -0.00 0.00 -0.54 0.00 0.42 0.00 0.00 57.03 56.91 1sou h ASP 111 Cb 0.57 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.62 1sou h ASP 111 CO 0.00 0.00 0.87 -0.69 -2.88 0.00 0.00 179.24 176.54 1sou s VAL 112 N -3.16 3.60 -0.27 2.25 1.01 -0.96 -4.81 120.40 118.06 1sou s VAL 112 Ca 0.09 0.99 -0.12 0.00 0.00 0.00 0.00 61.98 62.94 1sou s VAL 112 Cb 0.10 -3.64 -0.13 0.00 0.00 0.00 0.00 36.38 32.71 1sou s VAL 112 CO 0.61 -0.01 -0.29 -0.67 0.00 0.00 0.00 175.10 174.74 1sou n ASP 113 N 5.47 1.96 -3.74 3.32 2.03 -1.15 -3.59 116.55 120.85 1sou n ASP 113 Ca 0.14 0.27 -0.22 0.00 0.52 0.00 0.00 54.79 55.50 1sou n ASP 113 Cb 0.43 -0.77 -0.18 0.00 -0.72 0.00 0.00 41.12 39.88 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 -2.50 0.48 -0.02 -0.67 2.19 0.19 -1.28 117.98 116.37 1sou s PHE 114 Ca -0.38 -0.04 0.05 0.00 0.33 0.00 0.00 56.93 56.90 1sou s PHE 114 Cb 0.13 -0.70 -0.01 0.00 -1.31 0.00 0.00 43.02 41.13 1sou s PHE 114 CO 0.52 -0.29 -0.18 -1.50 1.83 0.00 0.00 175.22 175.60 1sou s ILE 115 N 2.03 1.42 -0.32 3.12 2.07 -0.14 -0.40 121.20 128.97 1sou s ILE 115 Ca 0.05 -0.75 -0.06 0.00 -1.41 0.00 0.00 60.65 58.47 1sou s ILE 115 Cb -0.12 -1.19 0.03 0.00 0.13 0.00 0.00 42.46 41.31 1sou s ILE 115 CO -0.05 0.40 0.09 0.00 -1.91 0.00 0.00 174.94 173.48 1sou s ALA 116 N -0.31 3.04 -0.35 1.50 0.00 0.38 -0.42 121.76 125.60 1sou s ALA 116 Ca 0.04 -1.66 -0.02 0.00 0.00 0.00 0.00 51.96 50.32 1sou s ALA 116 Cb -0.08 -2.22 0.07 0.00 0.00 0.00 0.00 23.12 20.89 1sou s ALA 116 CO -0.00 -1.21 0.09 0.08 0.00 0.00 0.00 175.76 174.71 1sou s VAL 117 N 1.43 3.15 -0.09 0.00 1.01 0.46 -2.11 120.40 124.25 1sou s VAL 117 Ca -0.01 -1.65 -0.29 0.00 0.00 0.00 0.00 61.98 60.03 1sou s VAL 117 Cb -0.19 -2.96 -0.04 0.00 0.00 0.00 0.00 36.38 33.18 1sou s VAL 117 CO 0.03 -0.35 1.59 -2.84 0.00 0.00 0.00 175.10 173.52 1sou s PRO 118 N 1.21 4.14 0.14 2.72 0.02 -1.26 -1.90 135.00 140.07 1sou s PRO 118 Ca 0.01 2.04 0.02 0.00 0.02 0.00 0.00 61.00 63.08 1sou s PRO 118 Cb -0.21 -3.96 -0.04 0.00 0.02 0.00 0.00 34.50 30.32 1sou s PRO 118 CO -0.02 -0.89 0.29 0.20 -0.33 0.00 0.00 177.00 176.25 1sou s GLY 119 N 3.26 1.81 0.11 0.52 0.00 -1.24 -4.94 107.32 106.84 1sou s GLY 119 Ca 0.70 -0.96 -0.21 0.00 0.00 0.00 0.00 44.72 44.25 1sou s GLY 119 CO 0.27 -0.95 1.74 -2.08 0.00 0.00 0.00 173.10 172.08 1sou h VAL 120 N 1.71 0.96 -3.19 1.40 2.07 -1.89 -3.45 116.25 113.85 1sou h VAL 120 Ca -0.48 -0.03 -0.09 0.00 0.82 0.00 0.00 66.70 66.92 1sou h VAL 120 Cb 1.19 0.85 -0.17 0.00 -1.52 0.00 0.00 31.29 31.64 1sou h VAL 120 CO 0.70 0.02 -0.22 0.00 0.02 0.00 0.00 177.57 178.08 1sou s ALA 121 N -6.19 -0.77 0.10 1.67 0.00 -1.26 -4.71 121.76 110.60 1sou s ALA 121 Ca -0.13 0.13 0.06 0.00 0.00 0.00 0.00 51.96 52.02 1sou s ALA 121 Cb 0.08 0.27 -0.03 0.00 0.00 0.00 0.00 23.12 23.44 1sou s ALA 121 CO 0.68 -0.39 -0.15 -0.06 0.00 0.00 0.00 175.76 175.84 1sou s PHE 122 N -2.29 1.38 0.00 0.00 0.08 -0.74 -4.24 117.98 112.17 1sou s PHE 122 Ca -0.07 -0.49 0.00 0.00 0.12 0.00 0.00 56.93 56.49 1sou s PHE 122 Cb -0.02 -0.75 0.00 0.00 -0.57 0.00 0.00 43.02 41.68 1sou s PHE 122 CO -0.02 0.12 0.00 -0.40 -0.10 0.00 0.00 175.22 174.82 1sou n ASP 123 N 0.95 0.84 0.23 1.36 5.75 -1.26 -0.40 116.55 124.03 1sou n ASP 123 Ca -0.19 -0.37 0.14 0.00 -0.01 0.00 0.00 54.79 54.36 1sou n ASP 123 Cb 0.55 0.00 0.40 0.00 -1.03 0.00 0.00 41.12 41.04 1sou n ASP 123 CO 0.00 0.00 0.00 -0.07 -0.11 0.00 0.00 177.20 177.02 1sou h LEU 124 N 0.00 0.00 0.00 -2.12 3.38 -1.03 -3.29 115.31 112.25 1sou h LEU 124 Ca 0.00 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.65 1sou h LEU 124 Cb 0.00 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.69 1sou h LEU 124 CO 0.00 0.00 -2.20 -0.62 0.09 0.00 0.00 178.44 175.71 1sou n GLU 125 N -3.02 1.09 0.00 1.13 1.02 -1.26 -5.04 120.64 114.56 1sou n GLU 125 Ca 0.03 0.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.17 1sou n GLU 125 Cb 0.42 -1.45 0.00 0.00 -0.02 0.00 0.00 31.44 30.40 1sou n GLU 125 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1sou n GLY 126 N 1.98 1.49 3.79 0.62 0.00 -1.24 -4.84 105.19 107.00 1sou n GLY 126 Ca -0.30 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.37 1sou n GLY 126 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1sou s TYR 127 N -2.00 3.38 -0.81 1.61 2.02 -1.26 -2.37 117.35 117.91 1sou s TYR 127 Ca 0.00 1.67 0.25 0.00 -0.37 0.00 0.00 57.07 58.62 1sou s TYR 127 Cb 0.00 -2.98 0.57 0.00 -0.40 0.00 0.00 41.96 39.15 1sou s TYR 127 CO 0.00 -0.26 1.49 -2.13 -1.57 0.00 0.00 175.55 173.08 1sou n ARG 128 N -0.14 0.16 0.00 -0.62 0.63 -1.26 -4.01 116.66 111.42 1sou n ARG 128 Ca 0.05 0.06 0.00 0.00 -0.92 0.00 0.00 57.85 57.04 1sou n ARG 128 Cb 0.51 -1.62 0.00 0.00 0.45 0.00 0.00 32.46 31.81 1sou n ARG 128 CO 0.00 0.00 0.00 -0.11 -2.51 0.00 0.00 177.63 175.01 1sou n LEU 129 N -1.86 0.00 0.00 6.15 7.94 -1.26 -4.14 117.00 123.84 1sou n LEU 129 Ca 0.05 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.95 1sou n LEU 129 Cb 0.39 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.34 1sou n LEU 129 CO 0.34 0.00 0.00 0.61 -1.11 0.00 0.00 177.39 177.23 1sou n GLY 130 N 0.00 2.63 0.20 -3.96 0.00 -1.26 -4.88 105.19 97.92 1sou n GLY 130 Ca 0.00 0.01 -0.14 0.00 0.00 0.00 0.00 46.02 45.89 1sou n GLY 130 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1sou h PHE 131 N 0.00 0.82 -0.15 1.61 3.57 -1.92 -3.46 116.94 117.41 1sou h PHE 131 Ca 0.00 -0.37 0.00 0.00 3.53 0.00 0.00 57.97 61.13 1sou h PHE 131 Cb 0.00 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 38.62 1sou h PHE 131 CO 0.00 1.17 0.00 0.41 -2.23 0.00 0.00 178.31 177.66 1sou n GLY 132 N 0.66 5.43 0.00 2.40 0.00 -1.26 -5.06 105.19 107.36 1sou n GLY 132 Ca -0.06 -1.25 0.00 0.00 0.00 0.00 0.00 46.02 44.70 1sou n GLY 132 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1sou n LYS 133 N 0.00 0.00 -2.23 1.61 4.81 -1.26 -4.84 118.16 116.25 1sou n LYS 133 Ca 0.00 0.39 -0.03 0.00 -0.87 0.00 0.00 58.31 57.81 1sou n LYS 133 Cb 0.00 -1.16 0.08 0.00 0.02 0.00 0.00 35.03 33.97 1sou n LYS 133 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1sou n GLY 134 N 0.48 1.47 3.83 3.14 0.00 -1.26 -5.04 105.19 107.81 1sou n GLY 134 Ca 0.00 -0.12 -0.23 0.00 0.00 0.00 0.00 46.02 45.67 1sou n GLY 134 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1sou s TYR 135 N 0.09 2.49 0.00 1.61 2.02 -1.26 -4.58 117.35 117.73 1sou s TYR 135 Ca 0.06 -0.58 0.00 0.00 -0.37 0.00 0.00 57.07 56.18 1sou s TYR 135 Cb 0.32 -2.06 0.00 0.00 -0.40 0.00 0.00 41.96 39.82 1sou s TYR 135 CO -0.09 -0.07 0.00 0.66 -1.57 0.00 0.00 175.55 174.47 1sou n TYR 136 N -1.48 0.00 0.10 2.71 4.01 -1.26 -4.80 117.16 116.45 1sou n TYR 136 Ca 0.01 0.00 -0.04 0.00 -0.16 0.00 0.00 57.90 57.71 1sou n TYR 136 Cb 0.63 -0.87 0.03 0.00 -0.31 0.00 0.00 39.34 38.81 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 0.00 0.38 7.72 2.03 -2.00 -2.69 116.42 121.86 1sou h ASP 137 Ca 0.00 0.00 -0.03 0.00 -0.73 0.00 0.00 57.03 56.27 1sou h ASP 137 Cb 0.26 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 38.76 1sou h ASP 137 CO 0.00 0.80 -0.16 -0.09 -1.03 0.00 0.00 179.24 178.76 1sou h ARG 138 N 0.00 0.00 0.07 4.15 9.65 -1.92 -1.80 114.38 124.53 1sou h ARG 138 Ca -0.01 0.00 -0.00 0.00 -1.10 0.00 0.00 59.98 58.87 1sou h ARG 138 Cb 1.43 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 30.01 1sou h ARG 138 CO 0.10 0.16 -0.03 1.25 2.80 0.00 0.00 179.97 184.26 1sou h LEU 139 N 0.00 -0.07 -1.90 3.80 5.85 -1.91 -3.23 115.31 117.84 1sou h LEU 139 Ca -0.00 -0.17 0.01 0.00 0.84 0.00 0.00 57.88 58.56 1sou h LEU 139 Cb 0.40 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.44 1sou h LEU 139 CO 0.02 0.49 0.08 -0.07 -0.34 0.00 0.00 178.44 178.62 1sou h LEU 140 N -1.01 0.11 -0.45 2.25 3.38 -1.38 0.10 115.31 118.31 1sou h LEU 140 Ca -0.01 -0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.90 1sou h LEU 140 Cb 0.24 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 1sou h LEU 140 CO 0.01 0.08 -0.29 0.50 0.09 0.00 0.00 178.44 178.83 1sou h LYS 141 N 0.13 0.00 -0.01 1.13 3.64 -1.48 -3.00 116.57 116.98 1sou h LYS 141 Ca 0.04 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 1sou h LYS 141 Cb 0.02 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.84 1sou h LYS 141 CO -0.01 0.29 -0.44 0.54 -2.27 0.00 0.00 179.45 177.56 1sou n ARG 142 N -3.26 0.78 -2.60 1.90 1.74 0.20 -4.75 116.66 110.66 1sou n ARG 142 Ca 0.02 -0.56 -0.42 0.00 -0.77 0.00 0.00 57.85 56.12 1sou n ARG 142 Cb 0.57 -1.49 -0.03 0.00 -1.02 0.00 0.00 32.46 30.50 1sou n ARG 142 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1sou s VAL 143 N -2.61 3.97 -2.18 1.55 1.01 -0.30 -4.18 120.40 117.67 1sou s VAL 143 Ca 0.19 0.67 0.18 0.00 0.00 0.00 0.00 61.98 63.03 1sou s VAL 143 Cb 0.18 -4.77 0.43 0.00 0.00 0.00 0.00 36.38 32.23 1sou s VAL 143 CO 0.60 -1.48 1.42 0.29 0.00 0.00 0.00 175.10 175.93 1sou n LYS 144 N 8.63 2.06 -0.28 2.72 5.02 -1.26 -4.90 118.16 130.14 1sou n LYS 144 Ca 0.06 -1.62 0.00 0.00 -2.02 0.00 0.00 58.31 54.73 1sou n LYS 144 Cb 0.49 -1.40 0.00 0.00 -0.02 0.00 0.00 35.03 34.09 1sou n LYS 144 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1sou n GLY 145 N 1.26 -0.08 3.51 0.72 0.00 -1.24 -5.00 105.19 104.37 1sou n GLY 145 Ca 0.17 -1.81 -0.43 0.00 0.00 0.00 0.00 46.02 43.95 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 4.03 -0.62 0.99 2.96 -0.41 -4.96 118.68 120.68 1sou s LEU 146 Ca 0.00 -0.47 -0.24 0.00 -0.22 0.00 0.00 54.13 53.20 1sou s LEU 146 Cb 0.00 -2.74 0.05 0.00 0.50 0.00 0.00 46.19 44.00 1sou s LEU 146 CO 0.00 -1.35 0.99 -0.54 -1.32 0.00 0.00 176.35 174.14 1sou s LYS 147 N 4.21 3.23 -0.32 1.98 1.02 -1.26 -0.97 119.74 127.62 1sou s LYS 147 Ca 0.30 -0.49 -0.13 0.00 0.02 0.00 0.00 55.97 55.67 1sou s LYS 147 Cb -0.13 -4.14 -0.03 0.00 -0.52 0.00 0.00 37.83 33.02 1sou s LYS 147 CO 0.17 -1.70 0.25 0.08 -0.92 0.00 0.00 175.35 173.23 1sou s VAL 148 N 4.21 5.27 -0.19 3.17 1.01 0.44 -0.41 120.40 133.90 1sou s VAL 148 Ca 0.28 -0.03 -0.29 0.00 0.00 0.00 0.00 61.98 61.93 1sou s VAL 148 Cb -0.14 -3.68 0.00 0.00 0.00 0.00 0.00 36.38 32.57 1sou s VAL 148 CO 0.15 0.06 1.03 -0.83 0.00 0.00 0.00 175.10 175.51 1sou s GLY 149 N 1.73 1.91 -0.23 4.51 0.00 0.54 -0.40 107.32 115.38 1sou s GLY 149 Ca 0.08 0.24 -0.05 0.00 0.00 0.00 0.00 44.72 44.98 1sou s GLY 149 CO 0.11 2.10 0.01 0.14 0.00 0.00 0.00 173.10 175.46 1sou s VAL 150 N 2.82 3.80 0.26 1.40 1.01 -0.80 -1.09 120.40 127.80 1sou s VAL 150 Ca 0.45 -0.35 -0.22 0.00 0.00 0.00 0.00 61.98 61.87 1sou s VAL 150 Cb -0.16 -2.75 0.03 0.00 0.00 0.00 0.00 36.38 33.50 1sou s VAL 150 CO 0.10 0.39 0.75 0.00 0.00 0.00 0.00 175.10 176.34 1sou s ALA 151 N 1.50 -1.28 0.67 5.51 0.00 -1.05 -3.67 121.76 123.44 1sou s ALA 151 Ca 0.06 -0.24 -0.06 0.00 0.00 0.00 0.00 51.96 51.72 1sou s ALA 151 Cb -0.15 0.82 0.05 0.00 0.00 0.00 0.00 23.12 23.84 1sou s ALA 151 CO -0.00 -1.04 0.97 0.71 0.00 0.00 0.00 175.76 176.40 1sou s TYR 152 N -3.83 2.98 -0.29 0.00 2.02 -1.26 -3.48 117.35 113.49 1sou s TYR 152 Ca 0.11 0.44 0.26 0.00 -0.37 0.00 0.00 57.07 57.51 1sou s TYR 152 Cb -0.05 -3.06 0.65 0.00 -0.40 0.00 0.00 41.96 39.10 1sou s TYR 152 CO 0.06 -1.24 1.72 0.77 -1.57 0.00 0.00 175.55 175.30 1sou h SER 153 N -0.45 0.00 0.46 2.29 0.02 -1.95 -2.54 113.55 111.38 1sou h SER 153 Ca -0.44 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.51 1sou h SER 153 Cb 1.30 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.84 1sou h SER 153 CO 0.60 0.00 0.00 0.49 -1.14 0.00 0.00 176.83 176.78 1sou n PHE 154 N -3.07 0.03 -0.19 3.45 3.01 -1.26 -2.38 117.46 117.05 1sou n PHE 154 Ca 0.03 0.01 0.05 0.00 1.01 0.00 0.00 57.45 58.56 1sou n PHE 154 Cb 0.46 -0.52 0.15 0.00 -0.01 0.00 0.00 39.48 39.56 1sou n PHE 154 CO 0.00 0.00 0.00 1.04 1.01 0.00 0.00 176.76 178.81 1sou n GLN 155 N -1.53 2.88 -4.70 -1.08 1.13 -0.96 -4.97 117.38 108.16 1sou n GLN 155 Ca 0.03 -2.04 -0.33 0.00 -1.94 0.00 0.00 57.00 52.72 1sou n GLN 155 Cb 0.16 -1.27 -0.13 0.00 0.11 0.00 0.00 30.24 29.10 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 -1.05 3.28 0.00 5.09 1.01 -1.00 -1.80 120.40 125.93 1sou s VAL 156 Ca 0.22 -0.59 0.00 0.00 0.00 0.00 0.00 61.98 61.61 1sou s VAL 156 Cb 0.12 -2.38 0.00 0.00 0.00 0.00 0.00 36.38 34.12 1sou s VAL 156 CO 0.15 0.53 0.00 0.49 0.00 0.00 0.00 175.10 176.27 1sou n PHE 157 N 3.29 0.00 -0.05 5.22 3.72 0.47 -4.98 117.46 125.12 1sou n PHE 157 Ca -0.18 0.00 -0.01 0.00 -0.05 0.00 0.00 57.45 57.21 1sou n PHE 157 Cb 0.53 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 39.06 1sou n PHE 157 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1sou h GLU 158 N 0.00 0.00 -3.19 -1.08 5.08 -1.91 -2.97 114.58 110.52 1sou h GLU 158 Ca 0.00 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.21 1sou h GLU 158 Cb 0.00 0.00 -0.23 0.00 0.50 0.00 0.00 28.75 29.02 1sou h GLU 158 CO 0.00 0.07 -0.40 1.03 -1.00 0.00 0.00 179.01 178.72 1sou s ARG 159 N -1.60 0.44 -0.13 2.33 1.81 -1.26 -1.33 118.95 119.21 1sou s ARG 159 Ca -0.01 0.04 -0.06 0.00 -1.72 0.00 0.00 55.73 53.97 1sou s ARG 159 Cb -0.00 0.20 -0.04 0.00 -0.45 0.00 0.00 34.95 34.66 1sou s ARG 159 CO 0.05 -0.09 0.10 -0.51 -0.68 0.00 0.00 175.30 174.17 1sou s LEU 160 N -0.60 4.12 -0.58 2.53 1.43 -1.26 -5.00 118.68 119.32 1sou s LEU 160 Ca -0.07 0.32 -0.27 0.00 -1.03 0.00 0.00 54.13 53.08 1sou s LEU 160 Cb -0.04 -2.01 -0.01 0.00 0.03 0.00 0.00 46.19 44.16 1sou s LEU 160 CO 0.02 0.34 1.77 -2.84 0.23 0.00 0.00 176.35 175.86 1sou s PRO 161 N -0.61 2.83 0.41 1.29 0.02 -1.26 -4.95 135.00 132.73 1sou s PRO 161 Ca 0.12 0.65 0.04 0.00 0.02 0.00 0.00 61.00 61.83 1sou s PRO 161 Cb -0.12 -4.32 -0.02 0.00 0.02 0.00 0.00 34.50 30.06 1sou s PRO 161 CO 0.02 -2.49 0.14 -0.98 -0.33 0.00 0.00 177.00 173.36 1sou s ARG 162 N 6.61 1.93 -0.01 5.54 1.04 -1.26 -3.98 118.95 128.81 1sou s ARG 162 Ca 0.65 -2.18 -0.03 0.00 -1.04 0.00 0.00 55.73 53.13 1sou s ARG 162 Cb -0.13 -0.54 -0.02 0.00 -2.04 0.00 0.00 34.95 32.21 1sou s ARG 162 CO 0.23 -0.50 0.38 -0.44 -0.04 0.00 0.00 175.30 174.93 1sou h ASP 163 N 1.80 -0.11 0.00 -2.89 3.32 -1.92 -3.43 116.42 113.20 1sou h ASP 163 Ca -0.34 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.71 1sou h ASP 163 Cb 1.27 0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.85 1sou h ASP 163 CO 0.55 0.02 0.00 0.00 -1.72 0.00 0.00 179.24 178.09 1sou n ALA 164 N -2.21 0.46 -3.72 3.45 0.00 -1.26 -5.01 120.51 112.22 1sou n ALA 164 Ca -0.02 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.12 1sou n ALA 164 Cb 0.05 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.41 1sou n ALA 164 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.50 178.41 1sou n TRP 165 N -0.07 3.58 -2.24 0.00 8.01 -1.26 -5.04 117.44 120.41 1sou n TRP 165 Ca 0.00 -4.19 -0.41 0.00 -1.31 0.00 0.00 57.50 51.59 1sou n TRP 165 Cb 0.00 -0.78 -0.03 0.00 -2.01 0.00 0.00 31.31 28.49 1sou n TRP 165 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.69 177.02 1sou s ASP 166 N -1.28 6.93 -0.18 -0.99 2.15 -1.26 -4.91 116.67 117.13 1sou s ASP 166 Ca 0.28 2.38 -0.32 0.00 0.43 0.00 0.00 52.55 55.32 1sou s ASP 166 Cb -0.02 -2.61 -0.09 0.00 -0.30 0.00 0.00 42.92 39.90 1sou s ASP 166 CO -0.12 -0.50 2.06 -0.38 -0.17 0.00 0.00 175.17 176.06 1sou n ILE 167 N 2.56 0.44 -2.13 4.11 5.41 -1.26 -4.41 119.36 124.08 1sou n ILE 167 Ca 0.06 -0.25 -0.28 0.00 1.00 0.00 0.00 62.75 63.28 1sou n ILE 167 Cb 0.43 -2.07 0.14 0.00 -0.71 0.00 0.00 39.64 37.44 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 5.29 1.26 0.29 0.38 0.04 -1.26 -4.11 135.00 136.88 1sou s PRO 168 Ca 0.99 -0.51 0.04 0.00 0.04 0.00 0.00 61.00 61.55 1sou s PRO 168 Cb -0.60 -2.03 -0.03 0.00 0.04 0.00 0.00 34.50 31.88 1sou s PRO 168 CO 0.45 -1.92 0.43 0.14 0.04 0.00 0.00 177.00 176.15 1sou s VAL 169 N -3.58 5.08 -0.05 -0.36 -7.23 -1.00 -4.97 120.40 108.30 1sou s VAL 169 Ca 0.69 -0.82 0.01 0.00 -1.81 0.00 0.00 61.98 60.05 1sou s VAL 169 Cb -0.06 -3.81 -0.26 0.00 0.56 0.00 0.00 36.38 32.81 1sou s VAL 169 CO 0.49 -0.38 0.65 0.44 -0.31 0.00 0.00 175.10 175.99 1sou h ASP 170 N 1.00 0.27 -4.23 4.85 3.32 -1.06 -3.40 116.42 117.17 1sou h ASP 170 Ca -0.51 -0.49 -0.37 0.00 0.02 0.00 0.00 57.03 55.68 1sou h ASP 170 Cb 1.23 -0.09 -0.26 0.00 0.22 0.00 0.00 39.33 40.43 1sou h ASP 170 CO 0.60 1.43 -0.77 -0.69 -1.72 0.00 0.00 179.24 178.09 1sou s VAL 171 N -2.60 0.74 -0.22 -1.35 1.01 -1.03 -0.27 120.40 116.68 1sou s VAL 171 Ca -0.12 -0.66 -0.01 0.00 0.00 0.00 0.00 61.98 61.19 1sou s VAL 171 Cb 0.07 -0.67 0.02 0.00 0.00 0.00 0.00 36.38 35.80 1sou s VAL 171 CO 0.82 0.02 -0.09 -0.22 0.00 0.00 0.00 175.10 175.63 1sou s LEU 172 N -0.71 2.85 -0.24 3.92 2.96 0.57 -0.34 118.68 127.69 1sou s LEU 172 Ca 0.00 -0.70 -0.02 0.00 -0.22 0.00 0.00 54.13 53.19 1sou s LEU 172 Cb -0.06 -1.63 0.02 0.00 0.50 0.00 0.00 46.19 45.02 1sou s LEU 172 CO 0.00 -0.07 -0.06 -0.69 -1.32 0.00 0.00 176.35 174.21 1sou s VAL 173 N 1.35 2.95 0.00 1.68 1.01 -0.25 -1.27 120.40 125.87 1sou s VAL 173 Ca 0.03 -0.93 0.00 0.00 0.00 0.00 0.00 61.98 61.08 1sou s VAL 173 Cb -0.15 -2.46 0.00 0.00 0.00 0.00 0.00 36.38 33.77 1sou s VAL 173 CO -0.06 0.25 0.00 0.35 0.00 0.00 0.00 175.10 175.63 1sou n THR 174 N 4.69 0.00 0.32 3.92 -2.24 -1.00 -2.52 114.28 117.45 1sou n THR 174 Ca -0.17 0.00 0.15 0.00 -2.27 0.00 0.00 64.05 61.76 1sou n THR 174 Cb 0.48 -0.50 0.66 0.00 -2.10 0.00 0.00 70.33 68.86 1sou n THR 174 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 1sou h GLU 175 N 0.00 0.00 0.00 -0.78 4.11 -1.87 -3.41 114.58 112.63 1sou h GLU 175 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1sou h GLU 175 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1sou h GLU 175 CO 0.00 0.00 0.00 1.63 0.07 0.00 0.00 179.01 180.71 1sou n LYS 176 N -2.68 0.00 -4.16 1.06 5.02 -1.26 -4.59 118.16 111.56 1sou n LYS 176 Ca 0.01 0.00 -0.28 0.00 -2.02 0.00 0.00 58.31 56.02 1sou n LYS 176 Cb 0.23 -0.09 -0.08 0.00 -0.02 0.00 0.00 35.03 35.07 1sou n LYS 176 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1sou s ASN 177 N -4.88 4.96 -0.08 4.39 4.22 -1.26 -5.09 114.94 117.20 1sou s ASN 177 Ca 0.00 -0.27 0.05 0.00 -2.14 0.00 0.00 52.86 50.49 1sou s ASN 177 Cb 0.00 -1.14 -0.01 0.00 1.28 0.00 0.00 41.25 41.38 1sou s ASN 177 CO 0.00 0.12 -0.22 -0.69 -2.04 0.00 0.00 177.10 174.27 1sou s VAL 178 N -1.54 2.29 0.05 3.54 1.01 -1.26 -2.37 120.40 122.11 1sou s VAL 178 Ca 0.27 -0.97 0.05 0.00 0.00 0.00 0.00 61.98 61.33 1sou s VAL 178 Cb -0.10 -1.86 -0.02 0.00 0.00 0.00 0.00 36.38 34.39 1sou s VAL 178 CO 0.19 0.56 -0.15 -0.13 0.00 0.00 0.00 175.10 175.57 1sou s ARG 179 N -0.04 0.97 -0.31 2.72 0.52 -0.40 -4.98 118.95 117.43 1sou s ARG 179 Ca -0.07 -0.81 -0.21 0.00 -0.52 0.00 0.00 55.73 54.12 1sou s ARG 179 Cb -0.15 -0.99 -0.01 0.00 0.52 0.00 0.00 34.95 34.32 1sou s ARG 179 CO 0.05 0.24 0.66 1.03 0.02 0.00 0.00 175.30 177.30 1sou s ARG 180 N -1.24 3.89 0.00 3.54 0.52 -1.26 -0.31 118.95 124.08 1sou s ARG 180 Ca 0.02 0.34 0.16 0.00 -0.52 0.00 0.00 55.73 55.72 1sou s ARG 180 Cb -0.08 -3.74 0.37 0.00 0.52 0.00 0.00 34.95 32.02 1sou s ARG 180 CO 0.02 -0.61 1.28 1.28 0.02 0.00 0.00 175.30 177.29 1sou n LEU 181 N 5.97 3.11 0.00 2.53 4.77 0.62 -4.96 117.00 129.04 1sou n LEU 181 Ca -0.00 -1.73 -0.24 0.00 -0.03 0.00 0.00 56.01 54.01 1sou n LEU 181 Cb 0.49 -0.25 0.18 0.00 -2.33 0.00 0.00 43.42 41.50 1sou n LEU 181 CO 0.47 0.73 0.62 0.54 -1.33 0.00 0.00 177.39 178.42 1sou n ARG 182 N 0.99 -1.68 -1.59 3.23 5.12 -0.78 -4.84 116.66 117.11 1sou n ARG 182 Ca 0.15 -1.56 -0.40 0.00 -1.93 0.00 0.00 57.85 54.12 1sou n ARG 182 Cb 0.48 -1.18 -0.03 0.00 -1.16 0.00 0.00 32.46 30.57 1sou n ARG 182 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 1sou s ASP 183 N -4.51 5.00 -1.21 0.55 1.11 -1.26 -4.86 116.67 111.49 1sou s ASP 183 Ca 0.59 1.53 -0.17 0.00 0.18 0.00 0.00 52.55 54.68 1sou s ASP 183 Cb -0.03 -2.51 -0.03 0.00 1.07 0.00 0.00 42.92 41.42 1sou s ASP 183 CO 0.43 -2.37 2.09 0.61 1.18 0.00 0.00 175.17 177.11 1sou n GLY 184 N 5.87 3.61 0.90 0.21 0.00 -1.26 -4.66 105.19 109.87 1sou n GLY 184 Ca 0.33 -1.45 0.03 0.00 0.00 0.00 0.00 46.02 44.92 1sou n GLY 184 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sou n ARG 185 N 6.58 2.27 -1.85 1.61 5.12 -1.26 -4.68 116.66 124.45 1sou n ARG 185 Ca 0.51 -1.12 -0.42 0.00 -1.93 0.00 0.00 57.85 54.89 1sou n ARG 185 Cb 0.40 -1.66 -0.01 0.00 -1.16 0.00 0.00 32.46 30.03 1sou n ARG 185 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 1sou n SER 186 N 0.25 3.88 -2.10 0.55 7.64 -1.26 -4.66 113.62 117.91 1sou n SER 186 Ca 0.10 -2.83 -0.25 0.00 1.01 0.00 0.00 58.87 56.90 1sou n SER 186 Cb 0.52 -1.61 0.08 0.00 -1.01 0.00 0.00 64.21 62.19 1sou n SER 186 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1sou n LEU 187 N 7.17 6.94 -4.65 -3.43 4.77 -1.26 -4.98 117.00 121.55 1sou n LEU 187 Ca 0.51 -3.72 -0.49 0.00 -0.03 0.00 0.00 56.01 52.28 1sou n LEU 187 Cb 0.41 -0.97 -0.05 0.00 -2.33 0.00 0.00 43.42 40.48 1sou n LEU 187 CO 0.88 1.28 1.56 1.21 -1.33 0.00 0.00 177.39 180.99 1sou n GLU 188 N -0.45 1.98 -3.31 3.23 2.13 -1.26 -4.91 120.64 118.05 1sou n GLU 188 Ca 0.48 0.70 -0.24 0.00 0.66 0.00 0.00 57.16 58.76 1sou n GLU 188 Cb 0.77 -2.65 -0.09 0.00 0.27 0.00 0.00 31.44 29.75 1sou n GLU 188 CO 0.00 0.00 0.00 -1.58 -0.41 0.00 0.00 177.13 175.14 1sou s HIS 189 N 4.84 0.71 0.26 4.31 2.46 -1.26 -5.12 115.29 121.50 1sou s HIS 189 Ca 0.96 -2.08 -0.30 0.00 0.47 0.00 0.00 55.06 54.11 1sou s HIS 189 Cb -0.70 -0.75 -0.11 0.00 -0.13 0.00 0.00 32.58 30.89 1sou s HIS 189 CO 0.51 -0.89 1.56 -3.38 -2.47 0.00 0.00 174.74 170.07 1sou s HIS 190 N 0.19 2.86 -0.85 3.88 -3.43 -1.26 -4.88 115.29 111.79 1sou s HIS 190 Ca 0.32 0.79 -0.25 0.00 -0.80 0.00 0.00 55.06 55.13 1sou s HIS 190 Cb 0.03 -4.00 0.01 0.00 -1.43 0.00 0.00 32.58 27.19 1sou s HIS 190 CO -0.18 -3.41 1.61 -1.01 -2.00 0.00 0.00 174.74 169.75 1sou s HIS 191 N 0.18 2.13 0.91 0.38 3.76 -1.26 -4.98 115.29 116.41 1sou s HIS 191 Ca 0.64 0.02 -0.13 0.00 -0.15 0.00 0.00 55.06 55.43 1sou s HIS 191 Cb -0.46 -4.41 0.14 0.00 1.11 0.00 0.00 32.58 28.96 1sou s HIS 191 CO 0.44 -1.99 1.19 -3.38 -0.85 0.00 0.00 174.74 170.15 1sou s HIS 192 N 7.19 2.32 -0.19 1.40 -3.43 -1.26 -5.03 115.29 116.28 1sou s HIS 192 Ca 0.53 0.68 -0.16 0.00 -0.80 0.00 0.00 55.06 55.31 1sou s HIS 192 Cb -0.06 -3.59 -0.12 0.00 -1.43 0.00 0.00 32.58 27.39 1sou s HIS 192 CO 0.04 -2.34 -0.03 0.72 -2.00 0.00 0.00 174.74 171.13 1sou n HIS 193 N -3.69 0.78 -1.77 0.38 8.25 -1.26 -5.31 115.22 112.59 1sou n HIS 193 Ca 0.09 0.34 0.00 0.00 -0.26 0.00 0.00 57.72 57.89 1sou n HIS 193 Cb 0.60 -0.94 0.00 0.00 1.12 0.00 0.00 29.99 30.77 1sou n HIS 193 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70