#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sou h LEU 2 N 0.00 0.00 -0.06 -0.89 5.85 -2.05 -2.40 115.31 115.76 1sou h LEU 2 Ca 0.00 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.72 1sou h LEU 2 Cb 0.00 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.03 1sou h LEU 2 CO 0.00 0.13 0.03 0.11 -0.34 0.00 0.00 178.44 178.37 1sou h LYS 3 N 0.00 0.08 -0.12 1.25 1.57 -2.00 -0.85 116.57 116.50 1sou h LYS 3 Ca -0.00 -0.01 -0.09 0.00 -1.87 0.00 0.00 60.65 58.67 1sou h LYS 3 Cb 0.30 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.58 1sou h LYS 3 CO 0.02 0.17 -0.33 0.66 -0.57 0.00 0.00 179.45 179.39 1sou h SER 4 N -0.02 0.24 0.79 0.86 4.64 -1.96 -2.28 113.55 115.82 1sou h SER 4 Ca 0.02 -0.09 -0.04 0.00 -0.47 0.00 0.00 61.79 61.22 1sou h SER 4 Cb 0.11 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.14 1sou h SER 4 CO -0.00 0.57 -0.41 -0.08 -0.87 0.00 0.00 176.83 176.04 1sou h GLU 5 N 0.21 -1.06 -0.82 4.77 4.57 -0.99 -1.98 114.58 119.27 1sou h GLU 5 Ca 0.03 0.07 0.02 0.00 -1.18 0.00 0.00 59.36 58.30 1sou h GLU 5 Cb 0.70 0.24 -0.04 0.00 -0.16 0.00 0.00 28.75 29.49 1sou h GLU 5 CO 0.05 -0.71 0.53 1.25 -1.18 0.00 0.00 179.01 178.96 1sou h LEU 6 N -1.10 0.91 -0.28 1.64 5.85 -1.16 -2.39 115.31 118.78 1sou h LEU 6 Ca -0.11 -0.02 0.06 0.00 0.84 0.00 0.00 57.88 58.66 1sou h LEU 6 Cb 0.86 -0.22 -0.07 0.00 0.37 0.00 0.00 40.66 41.61 1sou h LEU 6 CO 0.15 0.65 -0.16 -0.09 -0.34 0.00 0.00 178.44 178.65 1sou h ARG 7 N 1.07 -0.13 -0.37 1.25 2.43 -1.29 -1.09 114.38 116.25 1sou h ARG 7 Ca 0.31 0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.45 1sou h ARG 7 Cb -0.08 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.49 1sou h ARG 7 CO -0.08 -0.09 0.09 0.87 -1.51 0.00 0.00 179.97 179.25 1sou h LYS 8 N -0.13 0.59 -0.30 0.20 1.57 -1.01 -2.04 116.57 115.44 1sou h LYS 8 Ca 0.15 -0.14 -0.03 0.00 -1.87 0.00 0.00 60.65 58.76 1sou h LYS 8 Cb 0.36 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.58 1sou h LYS 8 CO -0.36 0.62 0.07 0.87 -0.57 0.00 0.00 179.45 180.08 1sou h LYS 9 N 0.45 0.48 -0.14 3.15 1.57 -1.07 -1.89 116.57 119.12 1sou h LYS 9 Ca 0.12 -0.12 -0.11 0.00 -1.87 0.00 0.00 60.65 58.67 1sou h LYS 9 Cb 0.30 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.53 1sou h LYS 9 CO 0.00 0.57 -0.38 0.28 -0.57 0.00 0.00 179.45 179.35 1sou h VAL 10 N 0.32 1.30 -0.01 0.50 2.07 -1.22 -1.88 116.25 117.33 1sou h VAL 10 Ca 0.09 -1.47 0.02 0.00 0.82 0.00 0.00 66.70 66.17 1sou h VAL 10 Cb 0.31 1.61 -0.03 0.00 -1.52 0.00 0.00 31.29 31.66 1sou h VAL 10 CO 0.00 0.44 -0.12 -0.07 0.02 0.00 0.00 177.57 177.85 1sou h LEU 11 N 0.26 -0.34 -0.67 2.57 3.38 -1.06 -2.17 115.31 117.28 1sou h LEU 11 Ca 0.03 0.05 0.01 0.00 0.09 0.00 0.00 57.88 58.06 1sou h LEU 11 Cb 0.79 0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.65 1sou h LEU 11 CO 0.06 -0.16 0.45 0.45 0.09 0.00 0.00 178.44 179.32 1sou h HIS 12 N -0.19 0.84 0.00 1.13 3.86 -1.07 0.84 115.15 120.56 1sou h HIS 12 Ca 0.05 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.28 1sou h HIS 12 Cb 0.25 -0.29 0.00 0.00 1.06 0.00 0.00 27.41 28.43 1sou h HIS 12 CO -0.18 0.53 0.00 1.63 0.86 0.00 0.00 177.93 180.77 1sou n LYS 13 N -4.62 0.60 -0.05 2.45 5.02 -0.73 -0.81 118.16 120.02 1sou n LYS 13 Ca 0.06 0.01 -0.08 0.00 -2.02 0.00 0.00 58.31 56.28 1sou n LYS 13 Cb 0.02 -1.50 -0.05 0.00 -0.02 0.00 0.00 35.03 33.48 1sou n LYS 13 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 1sou n ARG 14 N -1.04 0.27 0.08 1.97 0.63 -0.57 -4.58 116.66 113.41 1sou n ARG 14 Ca 0.15 0.07 0.12 0.00 -0.92 0.00 0.00 57.85 57.26 1sou n ARG 14 Cb 0.08 -1.18 0.03 0.00 0.45 0.00 0.00 32.46 31.85 1sou n ARG 14 CO 0.00 0.00 0.00 0.44 -2.51 0.00 0.00 177.63 175.56 1sou n ILE 15 N -2.90 0.47 1.35 5.15 -5.35 0.18 -3.63 119.36 114.63 1sou n ILE 15 Ca -0.19 -0.45 0.13 0.00 -0.27 0.00 0.00 62.75 61.97 1sou n ILE 15 Cb 0.70 -0.20 0.42 0.00 -1.74 0.00 0.00 39.64 38.81 1sou n ILE 15 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 1sou n ASN 16 N -2.44 1.47 -4.75 7.28 4.05 0.01 -4.89 115.26 115.99 1sou n ASN 16 Ca 0.01 -1.32 -0.37 0.00 0.45 0.00 0.00 54.58 53.35 1sou n ASN 16 Cb 0.51 0.07 0.04 0.00 1.23 0.00 0.00 39.78 41.63 1sou n ASN 16 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 1sou s LEU 17 N -2.20 3.69 0.23 1.20 1.43 -1.24 -4.93 118.68 116.85 1sou s LEU 17 Ca 0.31 2.49 -0.31 0.00 -1.03 0.00 0.00 54.13 55.60 1sou s LEU 17 Cb 0.20 -4.54 -0.11 0.00 0.03 0.00 0.00 46.19 41.78 1sou s LEU 17 CO 0.41 -1.65 1.55 -0.44 0.23 0.00 0.00 176.35 176.45 1sou s SER 18 N -1.45 6.53 0.26 2.29 0.01 -1.26 -4.87 113.70 115.21 1sou s SER 18 Ca 0.77 2.74 -0.02 0.00 1.31 0.00 0.00 55.95 60.75 1sou s SER 18 Cb -0.33 -2.61 0.33 0.00 0.21 0.00 0.00 66.02 63.62 1sou s SER 18 CO 0.37 -0.82 1.75 -0.33 0.41 0.00 0.00 173.24 174.61 1sou h GLU 19 N 5.77 0.76 -0.32 12.44 5.08 -1.94 0.16 114.58 136.53 1sou h GLU 19 Ca -0.45 -0.22 -0.08 0.00 -1.00 0.00 0.00 59.36 57.61 1sou h GLU 19 Cb 1.21 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 30.36 1sou h GLU 19 CO 0.85 0.80 -0.16 0.93 -1.00 0.00 0.00 179.01 180.42 1sou h GLU 20 N 0.71 0.57 -0.17 2.33 4.39 -1.99 0.52 114.58 120.94 1sou h GLU 20 Ca 0.13 -0.18 -0.19 0.00 0.34 0.00 0.00 59.36 59.46 1sou h GLU 20 Cb 0.49 -0.05 0.01 0.00 -0.10 0.00 0.00 28.75 29.09 1sou h GLU 20 CO 0.02 0.71 -0.64 1.49 -1.16 0.00 0.00 179.01 179.43 1sou h GLU 21 N 0.51 0.73 -0.46 2.33 4.81 -1.71 -1.42 114.58 119.36 1sou h GLU 21 Ca 0.09 -0.56 -0.08 0.00 -0.13 0.00 0.00 59.36 58.68 1sou h GLU 21 Cb 0.57 0.11 -0.02 0.00 0.63 0.00 0.00 28.75 30.04 1sou h GLU 21 CO 0.04 1.17 -0.04 -0.09 -0.73 0.00 0.00 179.01 179.36 1sou h ARG 22 N 0.43 0.78 -0.35 1.92 2.43 -0.54 0.14 114.38 119.20 1sou h ARG 22 Ca -0.03 -0.23 0.02 0.00 -0.81 0.00 0.00 59.98 58.93 1sou h ARG 22 Cb 1.27 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 30.71 1sou h ARG 22 CO 0.13 0.82 0.18 -0.09 -1.51 0.00 0.00 179.97 179.50 1sou h ARG 23 N 0.72 0.36 -0.21 0.20 9.65 -0.82 0.13 114.38 124.42 1sou h ARG 23 Ca 0.13 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 59.00 1sou h ARG 23 Cb 0.50 -0.08 -0.01 0.00 -1.39 0.00 0.00 29.97 28.99 1sou h ARG 23 CO 0.03 0.24 0.13 -0.09 2.80 0.00 0.00 179.97 183.08 1sou h ARG 24 N 0.37 0.27 -0.54 0.20 2.43 -0.52 -0.38 114.38 116.22 1sou h ARG 24 Ca 0.14 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.27 1sou h ARG 24 Cb 0.04 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.51 1sou h ARG 24 CO -0.09 0.18 0.21 -0.07 -1.51 0.00 0.00 179.97 178.68 1sou h LEU 25 N 0.28 0.75 -1.14 3.80 3.38 -0.52 -2.23 115.31 119.63 1sou h LEU 25 Ca 0.08 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 1sou h LEU 25 Cb -0.02 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.50 1sou h LEU 25 CO -0.02 0.72 0.37 0.28 0.09 0.00 0.00 178.44 179.88 1sou h SER 26 N 0.73 0.87 -0.85 -0.43 0.02 -0.54 -0.81 113.55 112.54 1sou h SER 26 Ca 0.18 -0.07 0.04 0.00 -0.84 0.00 0.00 61.79 61.10 1sou h SER 26 Cb 0.21 -0.22 -0.06 0.00 0.14 0.00 0.00 62.40 62.47 1sou h SER 26 CO -0.01 0.71 0.54 -0.08 -1.14 0.00 0.00 176.83 176.85 1sou h GLU 27 N 0.98 0.99 -0.50 3.45 4.22 -0.55 0.15 114.58 123.32 1sou h GLU 27 Ca 0.25 -0.06 -0.11 0.00 0.08 0.00 0.00 59.36 59.51 1sou h GLU 27 Cb 0.04 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.05 1sou h GLU 27 CO -0.04 0.66 -0.13 -0.22 -2.18 0.00 0.00 179.01 177.10 1sou h LYS 28 N 1.02 0.97 -0.51 1.92 3.64 -0.76 -2.62 116.57 120.24 1sou h LYS 28 Ca 0.35 -0.38 -0.09 0.00 -1.27 0.00 0.00 60.65 59.26 1sou h LYS 28 Cb 0.07 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 31.82 1sou h LYS 28 CO -0.14 1.05 -0.03 0.28 -2.27 0.00 0.00 179.45 178.34 1sou h VAL 29 N 0.83 1.27 -0.55 2.00 2.07 -0.54 -1.91 116.25 119.43 1sou h VAL 29 Ca 0.12 -1.13 0.03 0.00 0.82 0.00 0.00 66.70 66.54 1sou h VAL 29 Cb 0.70 0.97 -0.04 0.00 -1.52 0.00 0.00 31.29 31.40 1sou h VAL 29 CO 0.05 0.40 0.31 0.40 0.02 0.00 0.00 177.57 178.75 1sou h ILE 30 N 0.79 1.02 -0.15 4.57 2.04 -0.62 0.15 117.51 125.31 1sou h ILE 30 Ca 0.14 -0.21 -0.12 0.00 1.00 0.00 0.00 64.86 65.67 1sou h ILE 30 Cb 0.56 0.36 -0.01 0.00 -0.74 0.00 0.00 36.82 36.99 1sou h ILE 30 CO 0.03 0.11 -0.44 0.77 0.00 0.00 0.00 178.15 178.62 1sou h SER 31 N 0.61 0.38 -0.31 1.72 4.64 -1.37 -1.45 113.55 117.77 1sou h SER 31 Ca 0.23 -0.17 -0.05 0.00 -0.47 0.00 0.00 61.79 61.32 1sou h SER 31 Cb 0.07 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 62.04 1sou h SER 31 CO -0.12 0.77 -0.02 -1.13 -0.87 0.00 0.00 176.83 175.46 1sou h ASN 32 N 0.29 0.55 -0.67 4.97 -0.00 -0.73 -0.60 115.58 119.39 1sou h ASN 32 Ca 0.02 -0.32 -0.01 0.00 -0.00 0.00 0.00 56.30 55.98 1sou h ASN 32 Cb 0.89 -0.15 -0.03 0.00 -0.00 0.00 0.00 38.32 39.04 1sou h ASN 32 CO 0.07 0.74 0.37 0.25 -0.00 0.00 0.00 177.43 178.86 1sou h LEU 33 N 0.34 0.84 -0.22 0.34 5.85 -0.54 -1.08 115.31 120.85 1sou h LEU 33 Ca 0.08 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.71 1sou h LEU 33 Cb 0.47 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.29 1sou h LEU 33 CO 0.02 0.69 0.00 0.29 -0.34 0.00 0.00 178.44 179.10 1sou n LYS 34 N -4.52 0.18 0.12 1.25 5.02 -0.56 -2.43 118.16 117.22 1sou n LYS 34 Ca 0.05 0.25 -0.00 0.00 -2.02 0.00 0.00 58.31 56.59 1sou n LYS 34 Cb 0.09 -1.76 -0.01 0.00 -0.02 0.00 0.00 35.03 33.33 1sou n LYS 34 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1sou h SER 35 N 0.00 0.00 -2.45 4.39 0.87 0.15 -3.45 113.55 113.06 1sou h SER 35 Ca 0.00 0.00 -0.53 0.00 -1.23 0.00 0.00 61.79 60.03 1sou h SER 35 Cb 0.55 0.00 0.03 0.00 -0.44 0.00 0.00 62.40 62.54 1sou h SER 35 CO 0.00 0.66 1.17 -0.76 -0.53 0.00 0.00 176.83 177.37 1sou s LEU 36 N -6.55 4.42 0.55 2.23 1.43 -0.79 -4.87 118.68 115.10 1sou s LEU 36 Ca 0.03 2.70 0.32 0.00 -1.03 0.00 0.00 54.13 56.16 1sou s LEU 36 Cb 0.08 -3.55 1.55 0.00 0.03 0.00 0.00 46.19 44.30 1sou s LEU 36 CO 0.77 -1.03 2.07 -0.65 0.23 0.00 0.00 176.35 177.74 1sou h PRO 37 N 9.61 0.00 -0.05 1.29 0.11 -1.88 -2.17 132.00 138.92 1sou h PRO 37 Ca -0.48 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.51 1sou h PRO 37 Cb 1.23 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 1sou h PRO 37 CO 0.94 0.07 -0.55 0.93 -0.21 0.00 0.00 178.00 179.18 1sou h GLU 38 N 0.00 0.15 -0.51 1.05 4.39 -1.93 -3.29 114.58 114.44 1sou h GLU 38 Ca -0.00 -0.09 -0.02 0.00 0.34 0.00 0.00 59.36 59.58 1sou h GLU 38 Cb 0.38 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.02 1sou h GLU 38 CO 0.01 0.66 0.23 0.35 -1.16 0.00 0.00 179.01 179.10 1sou h PHE 39 N 0.12 0.76 0.00 4.33 3.57 -1.65 -0.27 116.94 123.80 1sou h PHE 39 Ca -0.00 -0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.45 1sou h PHE 39 Cb 1.01 -0.23 0.00 0.00 2.79 0.00 0.00 35.95 39.52 1sou h PHE 39 CO 0.01 0.62 0.00 0.87 -2.23 0.00 0.00 178.31 177.58 1sou h LYS 40 N 0.69 0.00 0.20 1.11 1.57 -1.67 -2.61 116.57 115.86 1sou h LYS 40 Ca 0.17 0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 58.64 1sou h LYS 40 Cb 0.16 0.00 0.03 0.00 0.08 0.00 0.00 32.23 32.50 1sou h LYS 40 CO -0.02 0.00 -1.38 -0.22 -0.57 0.00 0.00 179.45 177.26 1sou h LYS 41 N 0.00 0.49 -6.21 3.15 3.64 -1.33 -3.44 116.57 112.87 1sou h LYS 41 Ca 0.00 -0.80 -0.56 0.00 -1.27 0.00 0.00 60.65 58.02 1sou h LYS 41 Cb 0.51 0.29 -0.02 0.00 -0.41 0.00 0.00 32.23 32.60 1sou h LYS 41 CO 0.00 1.38 0.96 -1.12 -2.27 0.00 0.00 179.45 178.40 1sou s SER 42 N -7.46 6.84 -0.11 4.20 0.01 -0.22 -4.87 113.70 112.09 1sou s SER 42 Ca -0.08 1.93 0.12 0.00 1.31 0.00 0.00 55.95 59.23 1sou s SER 42 Cb 0.05 -2.54 -0.17 0.00 0.21 0.00 0.00 66.02 63.57 1sou s SER 42 CO 0.93 -0.81 0.09 0.29 0.41 0.00 0.00 173.24 174.15 1sou n LYS 43 N 6.65 1.60 -2.90 12.44 5.02 -1.26 -4.83 118.16 134.88 1sou n LYS 43 Ca 0.15 -0.03 -0.44 0.00 -2.02 0.00 0.00 58.31 55.98 1sou n LYS 43 Cb 0.44 -1.34 -0.03 0.00 -0.02 0.00 0.00 35.03 34.08 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 -2.44 3.47 -0.31 1.97 3.01 -1.26 -0.32 119.74 123.87 1sou s LYS 44 Ca -0.06 -1.52 -0.04 0.00 -1.01 0.00 0.00 55.97 53.34 1sou s LYS 44 Cb 0.05 -4.76 0.04 0.00 -1.01 0.00 0.00 37.83 32.15 1sou s LYS 44 CO 0.55 -1.79 0.03 0.08 0.51 0.00 0.00 175.35 174.73 1sou s VAL 45 N 3.07 3.34 -0.15 3.17 1.01 -1.01 -0.52 120.40 129.30 1sou s VAL 45 Ca 0.30 -1.18 -0.06 0.00 0.00 0.00 0.00 61.98 61.04 1sou s VAL 45 Cb -0.08 -2.86 -0.04 0.00 0.00 0.00 0.00 36.38 33.40 1sou s VAL 45 CO -0.05 -0.07 0.08 0.00 0.00 0.00 0.00 175.10 175.06 1sou s ALA 46 N 1.34 3.54 0.04 5.51 0.00 0.41 -0.82 121.76 131.77 1sou s ALA 46 Ca -0.03 -0.72 0.06 0.00 0.00 0.00 0.00 51.96 51.27 1sou s ALA 46 Cb -0.19 -1.87 -0.03 0.00 0.00 0.00 0.00 23.12 21.03 1sou s ALA 46 CO 0.00 0.38 -0.15 -0.51 0.00 0.00 0.00 175.76 175.48 1sou s LEU 47 N -0.26 2.76 0.00 0.00 1.02 -0.18 -0.39 118.68 121.62 1sou s LEU 47 Ca 0.09 -0.36 0.25 0.00 0.02 0.00 0.00 54.13 54.13 1sou s LEU 47 Cb -0.12 -1.60 1.14 0.00 0.02 0.00 0.00 46.19 45.63 1sou s LEU 47 CO 0.01 0.26 1.78 0.00 0.02 0.00 0.00 176.35 178.42 1sou n TYR 48 N 1.49 0.06 -2.53 0.29 9.36 -0.98 -4.11 117.16 120.73 1sou n TYR 48 Ca -0.16 -0.03 -0.00 0.00 3.32 0.00 0.00 57.90 61.03 1sou n TYR 48 Cb 0.52 0.00 -0.00 0.00 -0.63 0.00 0.00 39.34 39.23 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 -1.33 2.96 0.42 0.00 0.02 -1.26 -4.99 135.00 130.83 1sou s PRO 50 Ca -0.02 0.70 0.07 0.00 0.02 0.00 0.00 61.00 61.77 1sou s PRO 50 Cb 0.00 -4.27 0.01 0.00 0.02 0.00 0.00 34.50 30.26 1sou s PRO 50 CO 0.67 -2.33 0.58 0.96 -0.33 0.00 0.00 177.00 176.55 1sou s ILE 51 N 7.73 3.10 -1.58 2.83 -5.25 -1.26 -4.31 121.20 122.45 1sou s ILE 51 Ca 0.65 -0.96 0.00 0.00 -0.99 0.00 0.00 60.65 59.34 1sou s ILE 51 Cb -0.14 -3.05 0.00 0.00 2.95 0.00 0.00 42.46 42.22 1sou s ILE 51 CO 0.24 -0.02 0.00 0.29 -1.79 0.00 0.00 174.94 173.66 1sou n LYS 52 N -1.88 -1.08 0.00 0.37 5.02 -1.26 -4.17 118.16 115.16 1sou n LYS 52 Ca 0.07 1.00 0.00 0.00 -2.02 0.00 0.00 58.31 57.36 1sou n LYS 52 Cb 0.59 -5.17 0.00 0.00 -0.02 0.00 0.00 35.03 30.43 1sou n LYS 52 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1sou n GLY 53 N -1.09 1.97 5.04 0.72 0.00 -1.26 -4.59 105.19 105.97 1sou n GLY 53 Ca -0.16 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.66 1sou n GLY 53 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1sou n GLU 54 N 0.00 0.00 -3.76 1.61 1.02 -1.26 -4.38 120.64 113.87 1sou n GLU 54 Ca 0.00 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 57.01 1sou n GLU 54 Cb 0.00 0.00 -0.13 0.00 -0.02 0.00 0.00 31.44 31.29 1sou n GLU 54 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1sou s VAL 55 N 0.00 -0.03 -1.21 2.62 1.01 -1.26 -4.96 120.40 116.57 1sou s VAL 55 Ca 0.00 0.10 -0.22 0.00 0.00 0.00 0.00 61.98 61.87 1sou s VAL 55 Cb 0.00 -0.31 -0.06 0.00 0.00 0.00 0.00 36.38 36.00 1sou s VAL 55 CO 0.00 0.04 1.90 0.47 0.00 0.00 0.00 175.10 177.52 1sou n ASP 56 N 3.79 3.39 0.01 3.32 8.00 -1.26 -4.48 116.55 129.32 1sou n ASP 56 Ca -0.21 -2.74 0.11 0.00 0.71 0.00 0.00 54.79 52.66 1sou n ASP 56 Cb 0.55 -1.74 -0.12 0.00 -0.02 0.00 0.00 41.12 39.79 1sou n ASP 56 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1sou n LEU 57 N 13.40 0.38 0.05 0.64 4.77 -1.26 -4.39 117.00 130.58 1sou n LEU 57 Ca 0.46 -0.09 -0.13 0.00 -0.03 0.00 0.00 56.01 56.22 1sou n LEU 57 Cb 0.46 -0.02 -0.08 0.00 -2.33 0.00 0.00 43.42 41.45 1sou n LEU 57 CO 0.69 0.05 0.76 0.74 -1.33 0.00 0.00 177.39 178.30 1sou h THR 58 N 0.00 1.07 0.00 -5.08 2.02 -1.91 -2.36 112.91 106.65 1sou h THR 58 Ca 0.00 -0.42 0.00 0.00 0.77 0.00 0.00 66.41 66.76 1sou h THR 58 Cb 0.85 1.34 0.00 0.00 -1.74 0.00 0.00 68.15 68.60 1sou h THR 58 CO 0.00 0.10 0.00 -2.65 0.37 0.00 0.00 175.52 173.34 1sou n PRO 59 N -5.04 0.40 0.00 6.66 -0.02 -1.26 -2.00 135.00 133.74 1sou n PRO 59 Ca -0.08 0.00 0.11 0.00 -2.02 0.00 0.00 63.50 61.51 1sou n PRO 59 Cb 0.14 -1.32 0.14 0.00 -0.02 0.00 0.00 33.50 32.44 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 -0.82 0.72 -0.15 2.45 7.94 -0.89 -4.36 117.00 121.90 1sou n LEU 60 Ca 0.06 -0.18 -0.03 0.00 -1.11 0.00 0.00 56.01 54.74 1sou n LEU 60 Cb 0.03 -0.16 0.04 0.00 0.53 0.00 0.00 43.42 43.85 1sou n LEU 60 CO 0.05 0.17 0.79 -0.26 -1.11 0.00 0.00 177.39 177.03 1sou h PHE 61 N 0.13 -0.20 -0.92 1.96 0.04 -1.48 -0.23 116.94 116.24 1sou h PHE 61 Ca 0.00 0.04 0.20 0.00 2.80 0.00 0.00 57.97 61.01 1sou h PHE 61 Cb 0.51 0.16 -0.07 0.00 2.20 0.00 0.00 35.95 38.75 1sou h PHE 61 CO 0.00 -0.18 0.60 -1.35 -0.60 0.00 0.00 178.31 176.78 1sou h PRO 62 N 0.03 0.46 0.00 1.51 0.11 -1.84 0.18 132.00 132.44 1sou h PRO 62 Ca 0.23 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.32 1sou h PRO 62 Cb 0.36 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.36 1sou h PRO 62 CO -0.47 0.30 -0.40 0.39 -0.21 0.00 0.00 178.00 177.61 1sou n GLU 63 N -4.55 0.11 -0.05 1.05 -0.58 -0.23 -3.81 120.64 112.59 1sou n GLU 63 Ca 0.20 0.04 -0.20 0.00 -0.42 0.00 0.00 57.16 56.78 1sou n GLU 63 Cb 0.67 -1.58 -0.13 0.00 -0.57 0.00 0.00 31.44 29.83 1sou n GLU 63 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1sou n VAL 64 N -1.75 1.68 0.60 2.62 0.31 -0.03 -4.32 118.33 117.44 1sou n VAL 64 Ca 0.05 -0.60 0.05 0.00 -0.01 0.00 0.00 64.34 63.83 1sou n VAL 64 Cb 0.38 -1.65 0.30 0.00 -0.91 0.00 0.00 33.84 31.96 1sou n VAL 64 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1sou n LEU 65 N -3.46 0.00 -0.08 7.52 4.77 0.42 -0.39 117.00 125.79 1sou n LEU 65 Ca -0.37 0.10 -0.13 0.00 -0.03 0.00 0.00 56.01 55.58 1sou n LEU 65 Cb 1.01 -0.10 -0.09 0.00 -2.33 0.00 0.00 43.42 41.91 1sou n LEU 65 CO 0.36 -0.06 -0.04 0.11 -1.33 0.00 0.00 177.39 176.43 1sou h LYS 66 N 0.00 0.00 -0.00 3.23 1.57 -1.75 -3.43 116.57 116.19 1sou h LYS 66 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1sou h LYS 66 Cb 0.03 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.34 1sou h LYS 66 CO 0.00 0.73 -0.01 -0.85 -0.57 0.00 0.00 179.45 178.75 1sou n GLU 67 N -4.58 6.70 -4.35 3.15 0.28 -1.08 -5.05 120.64 115.70 1sou n GLU 67 Ca -0.15 -0.01 -0.25 0.00 -0.16 0.00 0.00 57.16 56.59 1sou n GLU 67 Cb 0.44 -0.53 -0.09 0.00 1.43 0.00 0.00 31.44 32.70 1sou n GLU 67 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 1sou s LYS 68 N -1.00 2.06 -0.35 3.44 3.01 0.48 -4.84 119.74 122.54 1sou s LYS 68 Ca 0.00 -1.77 -0.14 0.00 -1.01 0.00 0.00 55.97 53.05 1sou s LYS 68 Cb 0.00 -1.91 -0.01 0.00 -1.01 0.00 0.00 37.83 34.90 1sou s LYS 68 CO 0.01 0.13 0.30 -1.21 0.51 0.00 0.00 175.35 175.08 1sou s GLU 69 N -3.71 3.47 -0.12 1.68 2.02 0.57 -4.35 118.70 118.25 1sou s GLU 69 Ca 0.35 -0.59 -0.29 0.00 0.02 0.00 0.00 54.97 54.45 1sou s GLU 69 Cb 0.00 -3.82 -0.01 0.00 0.10 0.00 0.00 34.13 30.40 1sou s GLU 69 CO 0.19 -0.51 1.06 -1.17 0.02 0.00 0.00 175.26 174.85 1sou s LEU 70 N 1.84 4.22 -0.23 1.80 2.96 -0.30 -2.42 118.68 126.56 1sou s LEU 70 Ca 0.08 1.56 -0.02 0.00 -0.22 0.00 0.00 54.13 55.53 1sou s LEU 70 Cb -0.17 -3.55 0.01 0.00 0.50 0.00 0.00 46.19 42.98 1sou s LEU 70 CO 0.11 -0.53 -0.07 -0.63 -1.32 0.00 0.00 176.35 173.91 1sou s ILE 71 N 2.33 2.97 0.09 6.68 1.01 0.00 -0.41 121.20 133.87 1sou s ILE 71 Ca 0.49 -0.82 0.10 0.00 0.00 0.00 0.00 60.65 60.42 1sou s ILE 71 Cb -0.19 -2.43 -0.04 0.00 0.01 0.00 0.00 42.46 39.82 1sou s ILE 71 CO 0.16 0.31 -0.25 -0.76 0.00 0.00 0.00 174.94 174.41 1sou s LEU 72 N 1.38 2.33 -0.02 2.97 1.43 -0.43 -1.01 118.68 125.33 1sou s LEU 72 Ca 0.03 -0.65 -0.29 0.00 -1.03 0.00 0.00 54.13 52.19 1sou s LEU 72 Cb -0.15 -1.30 -0.03 0.00 0.03 0.00 0.00 46.19 44.74 1sou s LEU 72 CO -0.05 0.21 0.93 -2.16 0.23 0.00 0.00 176.35 175.51 1sou s PRO 73 N -1.73 4.53 -0.23 1.29 0.04 -1.26 -0.41 135.00 137.23 1sou s PRO 73 Ca 0.14 1.32 0.00 0.00 0.04 0.00 0.00 61.00 62.50 1sou s PRO 73 Cb -0.10 -3.46 0.06 0.00 0.04 0.00 0.00 34.50 31.04 1sou s PRO 73 CO 0.05 -0.05 -0.03 0.21 0.04 0.00 0.00 177.00 177.22 1sou s LYS 74 N 1.04 1.42 -0.54 4.56 2.20 0.41 -4.81 119.74 124.02 1sou s LYS 74 Ca 0.49 -0.91 -0.28 0.00 -0.36 0.00 0.00 55.97 54.92 1sou s LYS 74 Cb -0.20 -2.50 0.01 0.00 -1.51 0.00 0.00 37.83 33.63 1sou s LYS 74 CO 0.26 -0.62 1.41 0.08 -0.36 0.00 0.00 175.35 176.12 1sou s VAL 75 N 1.48 3.81 -0.95 4.02 1.01 -1.26 -0.46 120.40 128.04 1sou s VAL 75 Ca -0.04 0.71 0.28 0.00 0.00 0.00 0.00 61.98 62.93 1sou s VAL 75 Cb -0.19 -4.40 0.22 0.00 0.00 0.00 0.00 36.38 32.01 1sou s VAL 75 CO -0.07 -1.10 1.85 -1.84 0.00 0.00 0.00 175.10 173.93 1sou n GLU 76 N 8.57 0.05 0.00 2.72 -0.00 -0.96 -4.85 120.64 126.16 1sou n GLU 76 Ca 0.13 0.03 0.00 0.00 -0.00 0.00 0.00 57.16 57.33 1sou n GLU 76 Cb 0.49 -1.55 0.00 0.00 -0.00 0.00 0.00 31.44 30.38 1sou n GLU 76 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1sou n GLY 77 N 1.47 2.21 0.00 -1.84 0.00 -1.26 -4.93 105.19 100.84 1sou n GLY 77 Ca 0.07 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.88 1sou n GLY 77 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1sou n ASN 78 N 0.00 0.58 -4.82 1.61 5.15 -1.26 -5.09 115.26 111.43 1sou n ASN 78 Ca 0.00 0.00 -0.38 0.00 -0.60 0.00 0.00 54.58 53.60 1sou n ASN 78 Cb 0.00 0.01 -0.06 0.00 -0.53 0.00 0.00 39.78 39.20 1sou n ASN 78 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 1sou s GLU 79 N -1.14 4.09 -0.94 1.20 0.41 -1.26 -5.01 118.70 116.05 1sou s GLU 79 Ca 0.00 0.61 -0.23 0.00 -0.41 0.00 0.00 54.97 54.94 1sou s GLU 79 Cb 0.00 -3.15 0.06 0.00 -1.78 0.00 0.00 34.13 29.26 1sou s GLU 79 CO 0.00 0.60 1.36 0.42 -0.49 0.00 0.00 175.26 177.16 1sou s ILE 80 N -1.21 3.98 -0.56 -1.63 1.01 -1.26 -2.27 121.20 119.26 1sou s ILE 80 Ca 0.31 -0.59 -0.28 0.00 0.00 0.00 0.00 60.65 60.08 1sou s ILE 80 Cb -0.18 -4.99 0.03 0.00 0.01 0.00 0.00 42.46 37.34 1sou s ILE 80 CO 0.18 -1.86 1.17 -0.55 0.00 0.00 0.00 174.94 173.88 1sou s SER 81 N 4.54 6.48 -0.21 3.58 0.15 0.40 -4.75 113.70 123.87 1sou s SER 81 Ca 0.41 0.15 -0.29 0.00 0.70 0.00 0.00 55.95 56.93 1sou s SER 81 Cb -0.03 -2.55 -0.01 0.00 -1.71 0.00 0.00 66.02 61.72 1sou s SER 81 CO -0.04 -1.43 1.34 -0.76 1.20 0.00 0.00 173.24 173.56 1sou s LEU 82 N 4.81 4.05 -0.16 3.45 1.43 -1.26 -0.45 118.68 130.54 1sou s LEU 82 Ca 0.43 1.54 -0.07 0.00 -1.03 0.00 0.00 54.13 55.00 1sou s LEU 82 Cb -0.08 -3.54 -0.04 0.00 0.03 0.00 0.00 46.19 42.56 1sou s LEU 82 CO 0.26 -0.94 0.09 -0.31 0.23 0.00 0.00 176.35 175.68 1sou s TYR 83 N 4.04 3.35 -0.34 0.29 1.51 0.45 -0.38 117.35 126.28 1sou s TYR 83 Ca 0.58 0.24 -0.13 0.00 -1.01 0.00 0.00 57.07 56.75 1sou s TYR 83 Cb -0.21 -2.04 -0.02 0.00 -0.11 0.00 0.00 41.96 39.59 1sou s TYR 83 CO 0.20 0.34 0.26 0.50 -1.11 0.00 0.00 175.55 175.75 1sou s ARG 84 N -0.06 3.49 0.06 -0.62 3.52 0.46 -1.32 118.95 124.49 1sou s ARG 84 Ca 0.08 -0.62 0.05 0.00 -0.13 0.00 0.00 55.73 55.11 1sou s ARG 84 Cb -0.12 -3.81 -0.03 0.00 -1.56 0.00 0.00 34.95 29.43 1sou s ARG 84 CO 0.01 -0.47 -0.13 0.14 -0.81 0.00 0.00 175.30 174.04 1sou s VAL 85 N 1.77 1.01 -0.07 7.11 -7.23 0.45 -4.09 120.40 119.34 1sou s VAL 85 Ca 0.07 -1.16 0.11 0.00 -1.81 0.00 0.00 61.98 59.19 1sou s VAL 85 Cb -0.17 -0.97 0.16 0.00 0.56 0.00 0.00 36.38 35.96 1sou s VAL 85 CO 0.11 -0.18 1.07 0.00 -0.31 0.00 0.00 175.10 175.79 1sou n HIS 86 N 1.52 0.00 -3.95 2.82 1.44 -1.26 -1.14 115.22 114.64 1sou n HIS 86 Ca -0.20 -0.60 -0.12 0.00 -2.01 0.00 0.00 57.72 54.78 1sou n HIS 86 Cb 0.54 -0.10 -0.14 0.00 0.12 0.00 0.00 29.99 30.41 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 -2.03 0.19 1.06 4.39 0.01 -1.26 -4.88 113.70 111.18 1sou s SER 87 Ca 0.18 -0.11 -0.09 0.00 1.31 0.00 0.00 55.95 57.25 1sou s SER 87 Cb 0.16 0.00 0.12 0.00 0.21 0.00 0.00 66.02 66.51 1sou s SER 87 CO 0.02 -0.04 0.56 -2.65 0.41 0.00 0.00 173.24 171.54 1sou n PRO 88 N 2.80 -1.36 0.00 12.44 -0.02 -1.26 -4.26 135.00 143.34 1sou n PRO 88 Ca -0.14 -0.87 0.00 0.00 -2.02 0.00 0.00 63.50 60.46 1sou n PRO 88 Cb 0.59 -0.70 0.00 0.00 -0.02 0.00 0.00 33.50 33.37 1sou n PRO 88 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1sou n ALA 89 N -3.65 0.00 1.64 3.55 0.00 -1.26 -4.61 120.51 116.18 1sou n ALA 89 Ca -0.10 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.45 1sou n ALA 89 Cb 0.27 0.00 0.64 0.00 0.00 0.00 0.00 19.45 20.36 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 -1.83 5.24 0.00 0.00 1.43 -1.26 -0.35 118.68 121.91 1sou s LEU 91 Ca 0.32 -1.38 0.00 0.00 -1.03 0.00 0.00 54.13 52.04 1sou s LEU 91 Cb 0.15 -2.05 0.00 0.00 0.03 0.00 0.00 46.19 44.32 1sou s LEU 91 CO 0.25 -0.55 0.00 0.61 0.23 0.00 0.00 176.35 176.89 1sou n GLY 92 N 5.01 3.64 2.85 -3.19 0.00 0.12 -4.83 105.19 108.79 1sou n GLY 92 Ca -0.11 -2.08 -0.24 0.00 0.00 0.00 0.00 46.02 43.60 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 1.21 0.67 0.00 1.61 1.01 -1.26 -0.13 120.40 123.50 1sou s VAL 93 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 61.98 61.89 1sou s VAL 93 Cb 0.00 -0.74 0.00 0.00 0.00 0.00 0.00 36.38 35.64 1sou s VAL 93 CO 0.00 0.30 0.00 0.61 0.00 0.00 0.00 175.10 176.01 1sou n GLY 94 N 4.85 -1.72 3.60 4.51 0.00 -0.91 -4.95 105.19 110.57 1sou n GLY 94 Ca -0.12 0.47 -0.48 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.66 1.16 -0.94 4.61 0.00 -1.26 -0.82 120.51 121.61 1sou n ALA 95 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.50 1sou n ALA 95 Cb 0.00 -2.62 0.00 0.00 0.00 0.00 0.00 19.45 16.83 1sou n ALA 95 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1sou n PHE 96 N 8.78 0.00 -1.02 0.00 3.72 -1.26 -0.85 117.46 126.83 1sou n PHE 96 Ca 0.29 0.00 -0.01 0.00 -0.05 0.00 0.00 57.45 57.69 1sou n PHE 96 Cb 0.32 -1.35 -0.00 0.00 -0.94 0.00 0.00 39.48 37.51 1sou n PHE 96 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1sou n GLY 97 N -0.50 0.48 3.91 1.37 0.00 -0.00 -5.04 105.19 105.41 1sou n GLY 97 Ca 0.00 -0.42 -0.20 0.00 0.00 0.00 0.00 46.02 45.39 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 -1.98 3.59 0.25 -0.61 -1.09 -0.03 -4.76 121.20 116.57 1sou s ILE 98 Ca 0.00 -1.23 -0.30 0.00 -2.23 0.00 0.00 60.65 56.90 1sou s ILE 98 Cb 0.00 -3.23 -0.09 0.00 -1.58 0.00 0.00 42.46 37.56 1sou s ILE 98 CO 0.00 -0.14 1.22 -0.04 -1.23 0.00 0.00 174.94 174.75 1sou s MET 99 N -4.08 4.47 0.00 2.79 -1.94 -1.26 -2.14 119.30 117.15 1sou s MET 99 Ca 0.44 1.98 0.01 0.00 -1.71 0.00 0.00 55.69 56.40 1sou s MET 99 Cb -0.07 -3.18 -0.01 0.00 2.01 0.00 0.00 34.83 33.59 1sou s MET 99 CO 0.28 -0.07 -0.03 -1.83 -0.01 0.00 0.00 175.02 173.36 1sou s GLU 100 N -0.87 0.22 -0.48 2.03 -1.05 0.81 -4.93 118.70 114.44 1sou s GLU 100 Ca 0.51 -0.18 -0.28 0.00 -0.15 0.00 0.00 54.97 54.86 1sou s GLU 100 Cb -0.35 -0.16 -0.00 0.00 -0.44 0.00 0.00 34.13 33.18 1sou s GLU 100 CO 0.42 0.04 1.62 -2.14 0.95 0.00 0.00 175.26 176.15 1sou s PRO 101 N -0.31 3.21 0.55 -4.83 0.02 -1.26 0.14 135.00 132.52 1sou s PRO 101 Ca -0.02 0.85 0.32 0.00 0.02 0.00 0.00 61.00 62.17 1sou s PRO 101 Cb -0.02 -4.19 1.54 0.00 0.02 0.00 0.00 34.50 31.85 1sou s PRO 101 CO -0.00 -2.03 2.07 -0.39 -0.33 0.00 0.00 177.00 176.32 1sou h VAL 102 N 6.63 0.31 -3.53 3.83 -1.51 -1.07 -3.45 116.25 117.47 1sou h VAL 102 Ca -0.29 -0.51 -0.04 0.00 -1.23 0.00 0.00 66.70 64.63 1sou h VAL 102 Cb 1.13 1.38 -0.10 0.00 -2.13 0.00 0.00 31.29 31.57 1sou h VAL 102 CO 1.13 0.08 -0.08 -1.83 -1.23 0.00 0.00 177.57 175.64 1sou s GLU 103 N -3.97 1.42 0.00 5.19 -1.05 -1.26 -5.12 118.70 113.91 1sou s GLU 103 Ca -0.02 -1.07 0.00 0.00 -0.15 0.00 0.00 54.97 53.73 1sou s GLU 103 Cb 0.12 0.48 0.00 0.00 -0.44 0.00 0.00 34.13 34.28 1sou s GLU 103 CO 0.55 -0.59 0.00 0.41 0.95 0.00 0.00 175.26 176.58 1sou n GLY 104 N -0.34 0.78 3.70 -3.83 0.00 -1.26 -4.93 105.19 99.31 1sou n GLY 104 Ca -0.06 -2.05 -0.27 0.00 0.00 0.00 0.00 46.02 43.64 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 -1.25 2.54 0.51 1.61 0.41 -1.26 -4.94 118.70 116.31 1sou s GLU 105 Ca 0.00 -1.04 -0.11 0.00 -0.41 0.00 0.00 54.97 53.41 1sou s GLU 105 Cb 0.00 -2.44 -0.06 0.00 -1.78 0.00 0.00 34.13 29.86 1sou s GLU 105 CO 0.00 0.47 0.91 -0.98 -0.49 0.00 0.00 175.26 175.16 1sou s ARG 106 N -2.96 3.73 -0.10 1.61 3.03 -1.26 -0.40 118.95 122.60 1sou s ARG 106 Ca 0.28 0.63 -0.01 0.00 2.03 0.00 0.00 55.73 58.66 1sou s ARG 106 Cb -0.10 -2.23 -0.03 0.00 -1.03 0.00 0.00 34.95 31.57 1sou s ARG 106 CO 0.20 -0.28 -0.05 0.08 -1.13 0.00 0.00 175.30 174.11 1sou s VAL 107 N -2.74 3.80 0.17 4.99 1.01 0.49 -4.80 120.40 123.32 1sou s VAL 107 Ca 0.54 -0.42 -0.31 0.00 0.00 0.00 0.00 61.98 61.79 1sou s VAL 107 Cb -0.10 -2.60 -0.09 0.00 0.00 0.00 0.00 36.38 33.59 1sou s VAL 107 CO 0.40 0.56 1.40 0.21 0.00 0.00 0.00 175.10 177.67 1sou s ASN 108 N -0.36 6.78 0.30 3.32 3.84 -1.26 -4.71 114.94 122.85 1sou s ASN 108 Ca 0.06 2.46 0.05 0.00 0.21 0.00 0.00 52.86 55.63 1sou s ASN 108 Cb -0.12 -2.60 0.75 0.00 -0.55 0.00 0.00 41.25 38.72 1sou s ASN 108 CO 0.02 -0.65 1.73 -0.65 -2.79 0.00 0.00 177.10 174.77 1sou h PRO 109 N 6.01 0.56 -0.00 0.43 0.11 -1.97 0.14 132.00 137.27 1sou h PRO 109 Ca -0.44 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1sou h PRO 109 Cb 1.21 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1sou h PRO 109 CO 0.83 0.37 -0.04 -1.91 -0.21 0.00 0.00 178.00 177.04 1sou n GLU 110 N -4.90 0.66 0.14 1.05 2.13 -1.26 -2.27 120.64 116.18 1sou n GLU 110 Ca 0.23 -0.11 0.12 0.00 0.66 0.00 0.00 57.16 58.06 1sou n GLU 110 Cb 0.63 -1.50 0.09 0.00 0.27 0.00 0.00 31.44 30.93 1sou n GLU 110 CO 0.00 0.00 0.00 0.22 -0.41 0.00 0.00 177.13 176.94 1sou h ASP 111 N 0.26 0.00 -2.92 4.31 3.58 -1.10 -3.46 116.42 117.10 1sou h ASP 111 Ca 0.00 -0.02 -0.55 0.00 0.42 0.00 0.00 57.03 56.87 1sou h ASP 111 Cb 0.26 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.29 1sou h ASP 111 CO 0.00 0.01 0.86 -0.69 -2.88 0.00 0.00 179.24 176.54 1sou s VAL 112 N -3.28 4.03 -0.21 2.25 1.01 -0.96 -4.83 120.40 118.41 1sou s VAL 112 Ca 0.03 1.33 -0.03 0.00 0.00 0.00 0.00 61.98 63.31 1sou s VAL 112 Cb 0.08 -3.86 -0.12 0.00 0.00 0.00 0.00 36.38 32.49 1sou s VAL 112 CO 0.73 -0.06 -0.22 -0.67 0.00 0.00 0.00 175.10 174.89 1sou n ASP 113 N 5.99 2.11 -4.02 3.32 2.03 -1.16 -3.22 116.55 121.60 1sou n ASP 113 Ca 0.13 0.02 -0.28 0.00 0.52 0.00 0.00 54.79 55.18 1sou n ASP 113 Cb 0.45 -0.43 -0.17 0.00 -0.72 0.00 0.00 41.12 40.25 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 -2.41 1.90 -0.03 -0.67 2.19 0.32 -0.42 117.98 118.86 1sou s PHE 114 Ca -0.29 -0.92 0.04 0.00 0.33 0.00 0.00 56.93 56.09 1sou s PHE 114 Cb 0.09 -1.40 -0.01 0.00 -1.31 0.00 0.00 43.02 40.39 1sou s PHE 114 CO 0.44 -0.50 -0.15 -1.50 1.83 0.00 0.00 175.22 175.34 1sou s ILE 115 N 1.16 1.23 -0.30 3.12 2.07 -0.90 -0.45 121.20 127.13 1sou s ILE 115 Ca -0.03 -0.63 -0.03 0.00 -1.41 0.00 0.00 60.65 58.54 1sou s ILE 115 Cb -0.14 -1.04 0.04 0.00 0.13 0.00 0.00 42.46 41.44 1sou s ILE 115 CO -0.04 0.35 0.02 0.00 -1.91 0.00 0.00 174.94 173.36 1sou s ALA 116 N -0.12 2.87 -0.07 1.50 0.00 0.47 -0.46 121.76 125.95 1sou s ALA 116 Ca 0.01 -1.67 -0.00 0.00 0.00 0.00 0.00 51.96 50.29 1sou s ALA 116 Cb -0.09 -1.98 0.03 0.00 0.00 0.00 0.00 23.12 21.08 1sou s ALA 116 CO 0.01 -1.17 -0.03 0.54 0.00 0.00 0.00 175.76 175.11 1sou s VAL 117 N 1.32 0.55 0.00 0.00 0.11 -0.05 -2.33 120.40 120.00 1sou s VAL 117 Ca -0.03 -0.04 0.00 0.00 -2.93 0.00 0.00 61.98 58.99 1sou s VAL 117 Cb -0.19 -0.64 0.00 0.00 -1.53 0.00 0.00 36.38 34.02 1sou s VAL 117 CO -0.00 0.27 0.00 -0.81 -3.33 0.00 0.00 175.10 171.23 1sou n PRO 118 N 4.74 0.00 0.00 1.54 -0.05 -1.26 -2.30 135.00 137.66 1sou n PRO 118 Ca -0.14 0.00 0.00 0.00 -0.05 0.00 0.00 63.50 63.31 1sou n PRO 118 Cb 0.50 0.00 0.00 0.00 -0.05 0.00 0.00 33.50 33.95 1sou n PRO 118 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 175.50 175.86 1sou n GLY 119 N 5.00 -0.44 3.66 0.55 0.00 -1.26 -4.77 105.19 107.94 1sou n GLY 119 Ca 0.00 -2.27 -0.36 0.00 0.00 0.00 0.00 46.02 43.39 1sou n GLY 119 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1sou s VAL 120 N -0.81 5.32 0.13 1.61 1.01 -1.16 -4.75 120.40 121.76 1sou s VAL 120 Ca 0.00 0.17 0.00 0.00 0.00 0.00 0.00 61.98 62.15 1sou s VAL 120 Cb 0.00 -3.47 0.00 0.00 0.00 0.00 0.00 36.38 32.91 1sou s VAL 120 CO 0.00 0.36 0.00 0.00 0.00 0.00 0.00 175.10 175.46 1sou n ALA 121 N 4.19 -2.47 -2.36 5.51 0.00 -1.26 -0.48 120.51 123.63 1sou n ALA 121 Ca -0.15 0.26 -0.17 0.00 0.00 0.00 0.00 53.44 53.38 1sou n ALA 121 Cb 0.52 -1.03 -0.10 0.00 0.00 0.00 0.00 19.45 18.84 1sou n ALA 121 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1sou s PHE 122 N -0.48 1.48 0.15 0.00 0.40 0.06 -3.06 117.98 116.54 1sou s PHE 122 Ca 0.00 -0.62 0.03 0.00 -0.60 0.00 0.00 56.93 55.74 1sou s PHE 122 Cb 0.00 -0.73 -0.01 0.00 0.51 0.00 0.00 43.02 42.79 1sou s PHE 122 CO 0.00 0.21 0.11 -0.40 0.70 0.00 0.00 175.22 175.84 1sou n ASP 123 N -0.03 -0.01 -0.04 1.36 5.68 -1.06 -0.39 116.55 122.08 1sou n ASP 123 Ca -0.11 -1.95 0.14 0.00 -0.50 0.00 0.00 54.79 52.38 1sou n ASP 123 Cb 0.59 0.66 0.64 0.00 -1.14 0.00 0.00 41.12 41.88 1sou n ASP 123 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1sou n LEU 124 N 0.00 0.19 0.01 -2.12 4.77 -0.07 -3.05 117.00 116.74 1sou n LEU 124 Ca 0.02 0.22 -0.03 0.00 -0.03 0.00 0.00 56.01 56.19 1sou n LEU 124 Cb 0.26 -0.29 -0.10 0.00 -2.33 0.00 0.00 43.42 40.96 1sou n LEU 124 CO 0.14 0.04 -0.36 -0.33 -1.33 0.00 0.00 177.39 175.54 1sou h GLU 125 N 0.18 0.00 0.00 3.23 4.39 -1.91 -3.48 114.58 116.99 1sou h GLU 125 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1sou h GLU 125 Cb 0.37 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.02 1sou h GLU 125 CO 0.00 0.36 0.00 0.41 -1.16 0.00 0.00 179.01 178.62 1sou n GLY 126 N 1.45 1.59 3.92 -3.84 0.00 -1.17 -4.78 105.19 102.35 1sou n GLY 126 Ca -0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.61 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 3.49 0.01 1.61 1.51 -1.26 -1.96 117.35 118.74 1sou s TYR 127 Ca 0.00 0.20 -0.17 0.00 -1.01 0.00 0.00 57.07 56.09 1sou s TYR 127 Cb 0.00 -1.72 0.03 0.00 -0.11 0.00 0.00 41.96 40.16 1sou s TYR 127 CO 0.00 0.56 0.37 -0.98 -1.11 0.00 0.00 175.55 174.39 1sou s ARG 128 N -2.72 0.79 0.06 -0.62 1.04 -1.25 -2.56 118.95 113.68 1sou s ARG 128 Ca 0.35 -0.25 0.09 0.00 -1.04 0.00 0.00 55.73 54.88 1sou s ARG 128 Cb -0.12 0.35 -0.22 0.00 -2.04 0.00 0.00 34.95 32.92 1sou s ARG 128 CO 0.28 -0.24 1.05 -0.07 -0.04 0.00 0.00 175.30 176.28 1sou h LEU 129 N 3.47 0.01 0.00 -1.89 4.07 -0.70 -3.44 115.31 116.84 1sou h LEU 129 Ca -0.30 -0.02 0.00 0.00 0.08 0.00 0.00 57.88 57.64 1sou h LEU 129 Cb 1.18 -0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.92 1sou h LEU 129 CO 0.42 1.01 0.00 0.61 -1.08 0.00 0.00 178.44 179.40 1sou n GLY 130 N 1.43 0.27 0.14 0.83 0.00 -0.98 -3.98 105.19 102.90 1sou n GLY 130 Ca -0.06 -0.90 -0.22 0.00 0.00 0.00 0.00 46.02 44.84 1sou n GLY 130 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1sou h PHE 131 N 0.00 0.74 0.00 1.61 3.57 -1.92 -3.06 116.94 117.88 1sou h PHE 131 Ca 0.00 -0.54 0.00 0.00 3.53 0.00 0.00 57.97 60.96 1sou h PHE 131 Cb 0.00 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 38.71 1sou h PHE 131 CO 0.00 1.59 0.00 0.41 -2.23 0.00 0.00 178.31 178.08 1sou n GLY 132 N 1.78 0.45 3.02 2.40 0.00 -1.26 -5.05 105.19 106.53 1sou n GLY 132 Ca -0.21 -1.16 -0.11 0.00 0.00 0.00 0.00 46.02 44.55 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 -2.07 -0.86 1.61 5.02 -1.26 -4.81 118.16 115.79 1sou n LYS 133 Ca 0.00 1.85 -0.13 0.00 -2.02 0.00 0.00 58.31 58.02 1sou n LYS 133 Cb 0.00 -5.11 -0.13 0.00 -0.02 0.00 0.00 35.03 29.77 1sou n LYS 133 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1sou n GLY 134 N -0.65 2.79 0.00 0.72 0.00 -1.26 -3.03 105.19 103.76 1sou n GLY 134 Ca 0.05 -1.03 0.00 0.00 0.00 0.00 0.00 46.02 45.04 1sou n GLY 134 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1sou n TYR 135 N 2.73 0.00 -0.23 1.61 4.01 -1.26 -4.77 117.16 119.25 1sou n TYR 135 Ca 0.39 0.00 0.10 0.00 -0.16 0.00 0.00 57.90 58.23 1sou n TYR 135 Cb 0.69 0.00 0.25 0.00 -0.31 0.00 0.00 39.34 39.97 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 -1.06 0.74 0.13 -0.72 4.01 -1.17 -4.31 117.16 114.79 1sou n TYR 136 Ca 0.00 -0.47 0.02 0.00 -0.16 0.00 0.00 57.90 57.29 1sou n TYR 136 Cb 0.07 -0.01 0.36 0.00 -0.31 0.00 0.00 39.34 39.45 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 3.49 0.18 0.40 7.72 2.03 -1.86 -0.93 116.42 127.44 1sou h ASP 137 Ca 0.00 -0.05 -0.07 0.00 -0.73 0.00 0.00 57.03 56.18 1sou h ASP 137 Cb 0.89 -0.05 -0.01 0.00 -0.83 0.00 0.00 39.33 39.33 1sou h ASP 137 CO 0.00 0.42 -0.33 -0.09 -1.03 0.00 0.00 179.24 178.21 1sou h ARG 138 N 0.17 0.00 0.08 4.15 9.65 -1.96 -2.71 114.38 123.75 1sou h ARG 138 Ca 0.03 0.00 -0.25 0.00 -1.10 0.00 0.00 59.98 58.66 1sou h ARG 138 Cb 0.51 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 29.09 1sou h ARG 138 CO 0.03 0.33 -1.11 1.25 2.80 0.00 0.00 179.97 183.28 1sou h LEU 139 N 0.00 0.38 -1.61 3.80 6.46 -1.50 -2.80 115.31 120.04 1sou h LEU 139 Ca -0.00 -0.37 -0.03 0.00 -0.12 0.00 0.00 57.88 57.35 1sou h LEU 139 Cb 0.62 -0.12 -0.00 0.00 -0.73 0.00 0.00 40.66 40.43 1sou h LEU 139 CO 0.04 1.25 -0.16 -0.07 -0.62 0.00 0.00 178.44 178.88 1sou h LEU 140 N 0.10 0.00 -0.93 2.25 3.38 -0.96 -0.88 115.31 118.27 1sou h LEU 140 Ca -0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.87 1sou h LEU 140 Cb 1.81 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.56 1sou h LEU 140 CO 0.18 0.16 -0.34 0.29 0.09 0.00 0.00 178.44 178.82 1sou n LYS 141 N -3.53 1.22 -0.02 1.13 5.02 -1.09 -4.13 118.16 116.76 1sou n LYS 141 Ca -0.01 -0.93 -0.05 0.00 -2.02 0.00 0.00 58.31 55.30 1sou n LYS 141 Cb 0.31 -1.48 -0.12 0.00 -0.02 0.00 0.00 35.03 33.72 1sou n LYS 141 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 1sou n ARG 142 N -0.08 0.64 -2.71 1.97 0.63 -0.40 -4.77 116.66 111.94 1sou n ARG 142 Ca 0.11 0.22 -0.43 0.00 -0.92 0.00 0.00 57.85 56.83 1sou n ARG 142 Cb 0.44 -1.75 -0.03 0.00 0.45 0.00 0.00 32.46 31.57 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 -2.72 4.49 -2.17 5.15 1.01 -0.81 -4.60 120.40 120.75 1sou s VAL 143 Ca -0.05 1.40 0.18 0.00 0.00 0.00 0.00 61.98 63.51 1sou s VAL 143 Cb 0.08 -4.41 0.43 0.00 0.00 0.00 0.00 36.38 32.48 1sou s VAL 143 CO 0.82 -0.60 1.42 0.29 0.00 0.00 0.00 175.10 177.04 1sou n LYS 144 N 7.00 2.02 -1.39 2.72 5.02 -1.26 -4.93 118.16 127.33 1sou n LYS 144 Ca 0.10 -1.56 -0.29 0.00 -2.02 0.00 0.00 58.31 54.54 1sou n LYS 144 Cb 0.48 -1.39 0.13 0.00 -0.02 0.00 0.00 35.03 34.22 1sou n LYS 144 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1sou s GLY 145 N -1.27 1.60 -0.50 0.72 0.00 -1.20 -4.90 107.32 101.77 1sou s GLY 145 Ca 0.33 -0.25 -0.27 0.00 0.00 0.00 0.00 44.72 44.53 1sou s GLY 145 CO 0.24 0.25 2.02 1.08 0.00 0.00 0.00 173.10 176.70 1sou s LEU 146 N -6.05 3.37 -0.56 0.66 1.02 0.44 -4.87 118.68 112.68 1sou s LEU 146 Ca 0.63 0.83 -0.27 0.00 0.02 0.00 0.00 54.13 55.34 1sou s LEU 146 Cb -0.16 -2.78 -0.01 0.00 0.02 0.00 0.00 46.19 43.27 1sou s LEU 146 CO 0.55 -2.36 1.68 -0.54 0.02 0.00 0.00 176.35 175.70 1sou s LYS 147 N 7.07 2.97 -0.31 1.70 1.02 -1.26 -2.13 119.74 128.81 1sou s LYS 147 Ca 0.80 0.62 -0.14 0.00 0.02 0.00 0.00 55.97 57.28 1sou s LYS 147 Cb -0.17 -4.27 -0.03 0.00 -0.52 0.00 0.00 37.83 32.85 1sou s LYS 147 CO 0.26 -2.33 0.31 0.08 -0.92 0.00 0.00 175.35 172.75 1sou s VAL 148 N 7.62 5.21 -0.25 3.17 1.01 0.39 -0.39 120.40 137.17 1sou s VAL 148 Ca 0.62 0.19 -0.21 0.00 0.00 0.00 0.00 61.98 62.58 1sou s VAL 148 Cb -0.13 -3.71 -0.02 0.00 0.00 0.00 0.00 36.38 32.52 1sou s VAL 148 CO 0.23 0.06 0.66 -0.83 0.00 0.00 0.00 175.10 175.22 1sou s GLY 149 N 1.71 1.83 -0.44 4.51 0.00 0.43 -0.87 107.32 114.49 1sou s GLY 149 Ca 0.11 -0.37 -0.16 0.00 0.00 0.00 0.00 44.72 44.30 1sou s GLY 149 CO 0.11 1.49 0.37 0.14 0.00 0.00 0.00 173.10 175.21 1sou s VAL 150 N 2.50 5.20 0.04 1.40 1.01 -0.97 -1.01 120.40 128.56 1sou s VAL 150 Ca 0.28 -0.72 -0.01 0.00 0.00 0.00 0.00 61.98 61.52 1sou s VAL 150 Cb -0.15 -4.03 -0.04 0.00 0.00 0.00 0.00 36.38 32.16 1sou s VAL 150 CO 0.08 -0.45 -0.03 0.00 0.00 0.00 0.00 175.10 174.71 1sou s ALA 151 N 1.80 0.43 0.28 5.51 0.00 -0.83 -4.36 121.76 124.59 1sou s ALA 151 Ca 0.07 -1.07 -0.03 0.00 0.00 0.00 0.00 51.96 50.92 1sou s ALA 151 Cb -0.20 0.24 -0.05 0.00 0.00 0.00 0.00 23.12 23.11 1sou s ALA 151 CO 0.10 -0.32 0.52 0.71 0.00 0.00 0.00 175.76 176.77 1sou s TYR 152 N -3.34 3.48 0.54 0.00 2.02 -1.26 -2.98 117.35 115.81 1sou s TYR 152 Ca 0.02 0.55 0.30 0.00 -0.37 0.00 0.00 57.07 57.56 1sou s TYR 152 Cb 0.04 -2.03 1.46 0.00 -0.40 0.00 0.00 41.96 41.03 1sou s TYR 152 CO -0.08 0.21 1.92 0.77 -1.57 0.00 0.00 175.55 176.80 1sou h SER 153 N 1.64 0.00 0.86 2.29 0.02 -1.93 0.94 113.55 117.37 1sou h SER 153 Ca -0.48 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.47 1sou h SER 153 Cb 1.19 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.73 1sou h SER 153 CO 0.66 0.00 -0.02 -0.26 -1.14 0.00 0.00 176.83 176.07 1sou h PHE 154 N 0.00 0.00 -0.02 3.45 0.04 -1.97 -2.70 116.94 115.74 1sou h PHE 154 Ca 0.37 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.14 1sou h PHE 154 Cb 1.50 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.65 1sou h PHE 154 CO 0.00 0.02 -0.28 1.04 -0.60 0.00 0.00 178.31 178.49 1sou n GLN 155 N -3.13 1.63 -4.01 1.51 1.13 0.32 -4.92 117.38 109.91 1sou n GLN 155 Ca -0.00 -1.33 -0.35 0.00 -1.94 0.00 0.00 57.00 53.38 1sou n GLN 155 Cb 0.28 -1.47 -0.10 0.00 0.11 0.00 0.00 30.24 29.06 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 -2.29 4.65 0.00 5.09 1.01 -1.02 -0.76 120.40 127.09 1sou s VAL 156 Ca 0.23 -0.08 0.00 0.00 0.00 0.00 0.00 61.98 62.13 1sou s VAL 156 Cb 0.19 -3.11 0.00 0.00 0.00 0.00 0.00 36.38 33.46 1sou s VAL 156 CO 0.46 0.44 0.00 0.49 0.00 0.00 0.00 175.10 176.50 1sou n PHE 157 N 3.74 0.00 -0.05 5.22 3.72 0.48 -4.97 117.46 125.60 1sou n PHE 157 Ca -0.16 0.00 -0.03 0.00 -0.05 0.00 0.00 57.45 57.21 1sou n PHE 157 Cb 0.52 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 39.05 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 -2.76 -1.08 5.08 -1.93 -3.00 114.58 110.89 1sou h GLU 158 Ca 0.00 0.00 -0.34 0.00 -1.00 0.00 0.00 59.36 58.02 1sou h GLU 158 Cb 0.00 0.00 -0.37 0.00 0.50 0.00 0.00 28.75 28.88 1sou h GLU 158 CO 0.00 0.00 -0.65 0.50 -1.00 0.00 0.00 179.01 177.86 1sou s ARG 159 N -1.88 0.13 0.27 2.33 6.06 -1.26 -0.89 118.95 123.72 1sou s ARG 159 Ca -0.10 0.22 0.06 0.00 -2.50 0.00 0.00 55.73 53.42 1sou s ARG 159 Cb 0.01 -1.15 -0.03 0.00 0.06 0.00 0.00 34.95 33.85 1sou s ARG 159 CO 0.14 -0.58 0.31 -0.51 -2.50 0.00 0.00 175.30 172.16 1sou s LEU 160 N 2.28 3.98 0.37 -0.88 1.43 -1.26 -5.07 118.68 119.53 1sou s LEU 160 Ca 0.05 -0.17 -0.28 0.00 -1.03 0.00 0.00 54.13 52.71 1sou s LEU 160 Cb -0.15 -2.57 -0.10 0.00 0.03 0.00 0.00 46.19 43.40 1sou s LEU 160 CO -0.10 -0.15 1.39 -2.16 0.23 0.00 0.00 176.35 175.55 1sou s PRO 161 N -3.96 4.17 -0.24 1.29 0.04 -1.26 -4.95 135.00 130.08 1sou s PRO 161 Ca 0.36 2.37 -0.29 0.00 0.04 0.00 0.00 61.00 63.48 1sou s PRO 161 Cb -0.08 -2.97 -0.00 0.00 0.04 0.00 0.00 34.50 31.49 1sou s PRO 161 CO 0.27 -0.41 1.24 1.03 0.04 0.00 0.00 177.00 179.18 1sou s ARG 162 N -2.01 4.10 -0.17 4.56 0.52 -1.26 -4.95 118.95 119.73 1sou s ARG 162 Ca 0.52 1.41 -0.04 0.00 -0.52 0.00 0.00 55.73 57.10 1sou s ARG 162 Cb -0.43 -3.79 -0.03 0.00 0.52 0.00 0.00 34.95 31.22 1sou s ARG 162 CO 0.57 -0.88 -0.03 0.34 0.02 0.00 0.00 175.30 175.33 1sou s ASP 163 N 2.19 4.80 0.00 0.23 2.15 -1.26 -4.52 116.67 120.25 1sou s ASP 163 Ca 0.53 -0.16 0.00 0.00 0.43 0.00 0.00 52.55 53.36 1sou s ASP 163 Cb -0.18 -1.80 0.00 0.00 -0.30 0.00 0.00 42.92 40.64 1sou s ASP 163 CO 0.17 0.13 0.00 0.00 -0.17 0.00 0.00 175.17 175.30 1sou n ALA 164 N 3.78 0.00 -3.07 3.66 0.00 -1.26 -3.83 120.51 119.79 1sou n ALA 164 Ca -0.17 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.04 1sou n ALA 164 Cb 0.52 -0.14 0.03 0.00 0.00 0.00 0.00 19.45 19.86 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 -1.74 -1.94 -1.87 0.00 8.01 -1.26 -4.96 117.44 113.69 1sou n TRP 165 Ca 0.00 0.51 -0.34 0.00 -1.31 0.00 0.00 57.50 56.36 1sou n TRP 165 Cb 0.00 -4.23 0.04 0.00 -2.01 0.00 0.00 31.31 25.11 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 -2.70 5.17 0.06 -0.99 2.15 -1.25 -4.94 116.67 114.16 1sou s ASP 166 Ca 0.32 2.11 -0.31 0.00 0.43 0.00 0.00 52.55 55.10 1sou s ASP 166 Cb -0.15 -2.57 -0.08 0.00 -0.30 0.00 0.00 42.92 39.83 1sou s ASP 166 CO 0.39 -1.60 1.56 -0.51 -0.17 0.00 0.00 175.17 174.85 1sou s ILE 167 N -2.11 3.20 0.66 4.11 2.07 -1.26 -4.94 121.20 122.93 1sou s ILE 167 Ca 0.70 0.67 -0.17 0.00 -1.41 0.00 0.00 60.65 60.44 1sou s ILE 167 Cb -0.23 -3.43 -0.05 0.00 0.13 0.00 0.00 42.46 38.88 1sou s ILE 167 CO 0.38 0.01 0.62 -2.65 -1.91 0.00 0.00 174.94 171.39 1sou n PRO 168 N 5.31 0.47 -1.29 3.50 -0.02 -1.26 -4.96 135.00 136.75 1sou n PRO 168 Ca 0.15 0.20 -0.31 0.00 -2.02 0.00 0.00 63.50 61.52 1sou n PRO 168 Cb 0.41 -1.87 0.10 0.00 -0.02 0.00 0.00 33.50 32.12 1sou n PRO 168 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1sou s VAL 169 N -1.79 3.22 -0.15 -1.45 -7.23 -0.83 -4.95 120.40 107.23 1sou s VAL 169 Ca 0.69 0.40 -0.12 0.00 -1.81 0.00 0.00 61.98 61.13 1sou s VAL 169 Cb -0.39 -2.92 -0.24 0.00 0.56 0.00 0.00 36.38 33.40 1sou s VAL 169 CO 0.54 -0.52 0.33 -0.78 -0.31 0.00 0.00 175.10 174.36 1sou h ASP 170 N -1.19 0.28 -3.63 4.85 1.82 -1.06 -3.44 116.42 114.04 1sou h ASP 170 Ca -0.45 -0.80 -0.45 0.00 -0.39 0.00 0.00 57.03 54.94 1sou h ASP 170 Cb 1.24 -0.09 -0.32 0.00 0.68 0.00 0.00 39.33 40.84 1sou h ASP 170 CO 0.53 1.73 -0.79 -0.69 -1.61 0.00 0.00 179.24 178.40 1sou s VAL 171 N -2.49 0.83 -0.37 2.25 1.01 -1.04 -1.30 120.40 119.29 1sou s VAL 171 Ca -0.24 -0.35 -0.01 0.00 0.00 0.00 0.00 61.98 61.38 1sou s VAL 171 Cb 0.06 -0.77 0.09 0.00 0.00 0.00 0.00 36.38 35.77 1sou s VAL 171 CO 0.71 0.27 0.13 -0.22 0.00 0.00 0.00 175.10 175.99 1sou s LEU 172 N 0.47 4.85 -0.41 3.92 2.96 0.32 -0.43 118.68 130.36 1sou s LEU 172 Ca -0.08 -1.88 -0.24 0.00 -0.22 0.00 0.00 54.13 51.71 1sou s LEU 172 Cb -0.12 -1.76 0.02 0.00 0.50 0.00 0.00 46.19 44.83 1sou s LEU 172 CO 0.01 -0.45 0.84 -0.69 -1.32 0.00 0.00 176.35 174.75 1sou s VAL 173 N 1.12 4.62 0.35 1.68 1.01 -0.18 -0.39 120.40 128.60 1sou s VAL 173 Ca 0.06 0.76 0.08 0.00 0.00 0.00 0.00 61.98 62.88 1sou s VAL 173 Cb -0.21 -4.32 -0.05 0.00 0.00 0.00 0.00 36.38 31.80 1sou s VAL 173 CO -0.04 -0.64 0.11 -0.89 0.00 0.00 0.00 175.10 173.64 1sou s THR 174 N 3.39 2.80 0.46 3.92 2.01 -0.76 -1.96 115.64 125.49 1sou s THR 174 Ca 0.33 -1.78 0.13 0.00 0.31 0.00 0.00 61.69 60.69 1sou s THR 174 Cb -0.12 -2.92 0.23 0.00 0.01 0.00 0.00 72.50 69.69 1sou s THR 174 CO 0.21 -0.16 2.06 -0.08 -0.69 0.00 0.00 174.62 175.96 1sou h GLU 175 N 1.61 0.10 0.00 4.92 4.22 -1.84 -3.25 114.58 120.34 1sou h GLU 175 Ca -0.43 -0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.00 1sou h GLU 175 Cb 1.25 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.48 1sou h GLU 175 CO 0.65 0.16 -0.12 0.87 -2.18 0.00 0.00 179.01 178.39 1sou h LYS 176 N 0.10 0.00 -4.10 1.92 1.57 -1.95 -3.48 116.57 110.62 1sou h LYS 176 Ca 0.02 0.00 -0.23 0.00 -1.87 0.00 0.00 60.65 58.58 1sou h LYS 176 Cb 0.15 0.00 -0.09 0.00 0.08 0.00 0.00 32.23 32.36 1sou h LYS 176 CO 0.01 0.00 -0.24 1.21 -0.57 0.00 0.00 179.45 179.85 1sou s ASN 177 N -5.41 0.60 -0.36 0.86 3.04 -1.23 -5.13 114.94 107.32 1sou s ASN 177 Ca -0.04 -1.35 -0.14 0.00 0.04 0.00 0.00 52.86 51.37 1sou s ASN 177 Cb 0.00 0.60 -0.01 0.00 -1.54 0.00 0.00 41.25 40.31 1sou s ASN 177 CO 0.05 -1.19 0.31 -0.69 -3.04 0.00 0.00 177.10 172.55 1sou s VAL 178 N -3.45 5.22 -0.63 -5.21 1.01 -1.26 -1.84 120.40 114.23 1sou s VAL 178 Ca 0.30 -0.17 -0.19 0.00 0.00 0.00 0.00 61.98 61.92 1sou s VAL 178 Cb 0.01 -3.81 0.11 0.00 0.00 0.00 0.00 36.38 32.68 1sou s VAL 178 CO 0.17 -0.11 0.77 -0.60 0.00 0.00 0.00 175.10 175.33 1sou s ARG 179 N 1.87 3.11 -0.17 2.72 6.06 0.47 -4.97 118.95 128.05 1sou s ARG 179 Ca 0.09 -1.33 -0.29 0.00 -2.50 0.00 0.00 55.73 51.70 1sou s ARG 179 Cb -0.17 -4.31 -0.01 0.00 0.06 0.00 0.00 34.95 30.52 1sou s ARG 179 CO 0.11 -1.59 1.24 0.50 -2.50 0.00 0.00 175.30 173.06 1sou s ARG 180 N 2.79 4.24 -0.07 5.12 3.52 -1.26 -0.52 118.95 132.76 1sou s ARG 180 Ca 0.15 1.63 0.14 0.00 -0.13 0.00 0.00 55.73 57.52 1sou s ARG 180 Cb -0.21 -3.75 -0.22 0.00 -1.56 0.00 0.00 34.95 29.21 1sou s ARG 180 CO 0.05 -0.70 0.23 1.28 -0.81 0.00 0.00 175.30 175.36 1sou n LEU 181 N 6.56 0.00 -4.58 -0.88 4.77 -0.42 -4.73 117.00 117.73 1sou n LEU 181 Ca 0.14 0.00 -0.41 0.00 -0.03 0.00 0.00 56.01 55.71 1sou n LEU 181 Cb 0.45 0.13 -0.01 0.00 -2.33 0.00 0.00 43.42 41.66 1sou n LEU 181 CO 0.55 0.13 1.83 -0.60 -1.33 0.00 0.00 177.39 177.97 1sou s ARG 182 N -2.80 3.75 0.27 3.23 3.52 -1.12 -4.82 118.95 120.97 1sou s ARG 182 Ca -0.06 -1.72 -0.15 0.00 -0.13 0.00 0.00 55.73 53.68 1sou s ARG 182 Cb 0.08 -5.47 0.06 0.00 -1.56 0.00 0.00 34.95 28.05 1sou s ARG 182 CO 0.62 -2.42 0.74 -0.40 -0.81 0.00 0.00 175.30 173.03 1sou n ASP 183 N 9.13 -1.77 -0.84 -2.12 5.75 -1.26 -5.06 116.55 120.38 1sou n ASP 183 Ca 0.45 -2.13 0.00 0.00 -0.01 0.00 0.00 54.79 53.10 1sou n ASP 183 Cb 0.47 2.92 -0.00 0.00 -1.03 0.00 0.00 41.12 43.48 1sou n ASP 183 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1sou n GLY 184 N -0.51 0.73 5.14 6.12 0.00 -1.26 -5.05 105.19 110.35 1sou n GLY 184 Ca -0.05 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.73 1sou n GLY 184 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1sou n ARG 185 N 0.14 0.00 -3.63 1.61 0.63 -1.26 -4.66 116.66 109.49 1sou n ARG 185 Ca -0.02 0.00 -0.02 0.00 -0.92 0.00 0.00 57.85 56.89 1sou n ARG 185 Cb 0.79 0.00 -0.02 0.00 0.45 0.00 0.00 32.46 33.68 1sou n ARG 185 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 1sou s SER 186 N -2.58 -0.03 -0.63 6.15 0.15 -1.26 -5.10 113.70 110.40 1sou s SER 186 Ca 0.00 -0.00 -0.26 0.00 0.70 0.00 0.00 55.95 56.39 1sou s SER 186 Cb 0.00 0.03 0.04 0.00 -1.71 0.00 0.00 66.02 64.38 1sou s SER 186 CO 0.00 -0.05 1.11 -0.22 1.20 0.00 0.00 173.24 175.28 1sou s LEU 187 N -2.14 3.70 -0.50 3.45 0.20 -1.26 -4.98 118.68 117.14 1sou s LEU 187 Ca 0.12 -0.34 -0.23 0.00 0.69 0.00 0.00 54.13 54.37 1sou s LEU 187 Cb -0.00 -2.80 0.04 0.00 -0.43 0.00 0.00 46.19 43.00 1sou s LEU 187 CO -0.03 -1.50 0.83 -0.70 -0.29 0.00 0.00 176.35 174.66 1sou s GLU 188 N 4.75 3.35 -0.42 1.98 2.12 -1.26 -5.00 118.70 124.21 1sou s GLU 188 Ca 0.34 -0.25 -0.28 0.00 0.36 0.00 0.00 54.97 55.14 1sou s GLU 188 Cb -0.10 -4.00 0.02 0.00 0.26 0.00 0.00 34.13 30.31 1sou s GLU 188 CO 0.19 -1.28 1.05 -3.38 -0.54 0.00 0.00 175.26 171.30 1sou s HIS 189 N 3.49 2.95 -0.39 5.30 -3.43 -1.26 -4.39 115.29 117.55 1sou s HIS 189 Ca 0.29 0.77 -0.17 0.00 -0.80 0.00 0.00 55.06 55.14 1sou s HIS 189 Cb -0.13 -4.07 0.02 0.00 -1.43 0.00 0.00 32.58 26.97 1sou s HIS 189 CO 0.20 -1.06 0.49 1.58 -2.00 0.00 0.00 174.74 173.95 1sou n HIS 190 N 7.35 -3.25 -3.06 0.38 -0.00 -1.26 -5.01 115.22 110.37 1sou n HIS 190 Ca 0.10 1.34 -0.19 0.00 -0.00 0.00 0.00 57.72 58.97 1sou n HIS 190 Cb 0.48 -3.47 0.01 0.00 -0.00 0.00 0.00 29.99 27.01 1sou n HIS 190 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 1sou s HIS 191 N -2.15 2.97 0.05 1.57 -0.00 -1.26 -5.13 115.29 111.34 1sou s HIS 191 Ca 0.23 -0.17 -0.05 0.00 -0.00 0.00 0.00 55.06 55.07 1sou s HIS 191 Cb -0.05 -2.34 -0.02 0.00 -0.00 0.00 0.00 32.58 30.17 1sou s HIS 191 CO 0.76 -0.39 0.07 -1.58 -0.00 0.00 0.00 174.74 173.60 1sou s HIS 192 N -2.42 0.28 0.00 0.38 5.65 -1.26 -4.98 115.29 112.94 1sou s HIS 192 Ca 0.52 -0.66 0.00 0.00 0.25 0.00 0.00 55.06 55.17 1sou s HIS 192 Cb -0.10 -0.19 0.00 0.00 -1.18 0.00 0.00 32.58 31.11 1sou s HIS 192 CO 0.34 -0.39 0.00 1.58 -0.65 0.00 0.00 174.74 175.62 1sou n HIS 193 N 0.51 0.00 -1.89 3.88 -0.00 -1.26 -5.28 115.22 111.18 1sou n HIS 193 Ca -0.17 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.55 1sou n HIS 193 Cb 0.60 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.59 1sou n HIS 193 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92