#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sei s MET 2 N 0.00 3.70 0.22 1.45 1.00 -1.26 -5.04 119.30 119.36 1sei s MET 2 Ca 0.00 -0.48 0.16 0.00 0.00 0.00 0.00 55.69 55.37 1sei s MET 2 Cb 0.00 -3.10 0.01 0.00 0.00 0.00 0.00 34.83 31.74 1sei s MET 2 CO 0.00 0.08 1.26 1.79 0.00 0.00 0.00 175.02 178.15 1sei h THR 3 N 5.26 0.69 -0.06 2.05 1.35 -1.99 -3.39 112.91 116.83 1sei h THR 3 Ca -0.35 -2.06 0.04 0.00 -0.55 0.00 0.00 66.41 63.49 1sei h THR 3 Cb 1.18 2.26 -0.05 0.00 -1.73 0.00 0.00 68.15 69.80 1sei h THR 3 CO 0.62 0.39 -0.28 0.44 -0.25 0.00 0.00 175.52 176.45 1sei h ASP 4 N 0.00 -0.86 0.00 5.36 3.32 -1.96 0.11 116.42 122.39 1sei h ASP 4 Ca -0.05 0.12 0.00 0.00 0.02 0.00 0.00 57.03 57.12 1sei h ASP 4 Cb 1.41 0.36 0.00 0.00 0.22 0.00 0.00 39.33 41.32 1sei h ASP 4 CO 0.05 -0.34 0.03 1.55 -1.72 0.00 0.00 179.24 178.82 1sei h PRO 5 N -0.40 0.00 0.24 3.56 0.13 -2.00 0.51 132.00 134.05 1sei h PRO 5 Ca 0.08 0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 64.89 1sei h PRO 5 Cb 0.51 0.00 0.04 0.00 0.13 0.00 0.00 31.00 31.68 1sei h PRO 5 CO -0.28 0.00 -1.40 0.82 -0.23 0.00 0.00 178.00 176.91 1sei h ILE 6 N 0.00 1.30 -0.20 -3.56 2.04 -1.07 -1.96 117.51 114.06 1sei h ILE 6 Ca 0.00 -2.67 0.01 0.00 1.00 0.00 0.00 64.86 63.20 1sei h ILE 6 Cb 0.07 3.06 -0.01 0.00 -0.74 0.00 0.00 36.82 39.20 1sei h ILE 6 CO 0.00 0.80 0.11 0.00 0.00 0.00 0.00 178.15 179.06 1sei h ALA 7 N 0.14 0.24 -0.98 1.87 0.00 0.60 -1.08 119.26 120.05 1sei h ALA 7 Ca -0.25 0.00 0.04 0.00 0.00 0.00 0.00 54.91 54.70 1sei h ALA 7 Cb 2.10 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 19.79 1sei h ALA 7 CO 0.26 -0.31 0.64 0.38 0.00 0.00 0.00 179.25 180.22 1sei h ASP 8 N 0.23 1.06 -0.48 0.00 3.04 -0.99 0.31 116.42 119.59 1sei h ASP 8 Ca 0.08 -0.01 -0.13 0.00 -3.24 0.00 0.00 57.03 53.73 1sei h ASP 8 Cb 0.01 -0.24 -0.01 0.00 -1.04 0.00 0.00 39.33 38.04 1sei h ASP 8 CO -0.05 0.72 -0.20 -0.03 -2.04 0.00 0.00 179.24 177.65 1sei h MET 9 N 1.23 0.99 -0.23 4.15 4.05 -0.97 -2.61 114.93 121.55 1sei h MET 9 Ca 0.40 -0.42 -0.13 0.00 -0.28 0.00 0.00 59.70 59.27 1sei h MET 9 Cb 0.02 -0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 30.78 1sei h MET 9 CO -0.13 1.09 -0.39 -0.07 0.23 0.00 0.00 176.91 177.65 1sei h LEU 10 N 0.85 0.55 -0.40 3.39 4.07 -0.76 -2.18 115.31 120.83 1sei h LEU 10 Ca 0.11 -0.24 -0.04 0.00 0.08 0.00 0.00 57.88 57.79 1sei h LEU 10 Cb 0.78 -0.15 -0.02 0.00 1.08 0.00 0.00 40.66 42.35 1sei h LEU 10 CO 0.06 0.88 0.08 0.74 -1.08 0.00 0.00 178.44 179.13 1sei h THR 11 N 0.43 1.24 -0.61 0.22 2.02 -0.89 -0.94 112.91 114.39 1sei h THR 11 Ca 0.04 -0.83 -0.04 0.00 0.77 0.00 0.00 66.41 66.36 1sei h THR 11 Cb 0.87 1.00 -0.03 0.00 -1.74 0.00 0.00 68.15 68.25 1sei h THR 11 CO 0.07 0.29 0.23 0.00 0.37 0.00 0.00 175.52 176.48 1sei h ALA 12 N 0.94 1.26 -0.46 6.16 0.00 -1.31 -0.58 119.26 125.27 1sei h ALA 12 Ca 0.12 -0.17 -0.10 0.00 0.00 0.00 0.00 54.91 54.77 1sei h ALA 12 Cb 0.34 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1sei h ALA 12 CO 0.00 0.54 -0.10 0.82 0.00 0.00 0.00 179.25 180.52 1sei h ILE 13 N 0.87 1.27 -0.30 0.00 2.04 -1.17 -1.38 117.51 118.85 1sei h ILE 13 Ca 0.20 -1.21 -0.01 0.00 1.00 0.00 0.00 64.86 64.84 1sei h ILE 13 Cb 0.19 1.10 -0.01 0.00 -0.74 0.00 0.00 36.82 37.36 1sei h ILE 13 CO -0.02 0.42 0.15 -0.09 0.00 0.00 0.00 178.15 178.61 1sei h ARG 14 N 0.73 0.42 0.13 2.37 2.43 -0.58 0.09 114.38 119.97 1sei h ARG 14 Ca 0.12 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.22 1sei h ARG 14 Cb 0.64 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.11 1sei h ARG 14 CO 0.04 0.39 -0.06 -0.91 -1.51 0.00 0.00 179.97 177.92 1sei h ASN 15 N 0.35 -0.15 -0.20 -3.80 2.35 -1.08 -0.48 115.58 112.56 1sei h ASN 15 Ca 0.10 -0.02 -0.00 0.00 -0.55 0.00 0.00 56.30 55.83 1sei h ASN 15 Cb 0.10 0.04 -0.01 0.00 0.05 0.00 0.00 38.32 38.50 1sei h ASN 15 CO -0.01 -0.08 0.12 0.00 -1.65 0.00 0.00 177.43 175.80 1sei h ALA 16 N 0.66 1.79 -0.13 -0.83 0.00 -1.07 -1.98 119.26 117.70 1sei h ALA 16 Ca -0.02 -0.04 -0.19 0.00 0.00 0.00 0.00 54.91 54.66 1sei h ALA 16 Cb 0.16 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 1sei h ALA 16 CO 0.03 0.18 -0.70 -0.97 0.00 0.00 0.00 179.25 177.79 1sei h ASN 17 N 0.30 0.67 -0.26 0.00 -1.24 -0.60 0.27 115.58 114.71 1sei h ASN 17 Ca 0.08 -0.42 -0.01 0.00 0.71 0.00 0.00 56.30 56.66 1sei h ASN 17 Cb 0.02 -0.20 -0.01 0.00 0.73 0.00 0.00 38.32 38.86 1sei h ASN 17 CO -0.01 1.17 0.11 -0.03 -1.29 0.00 0.00 177.43 177.38 1sei h MET 18 N 0.40 0.39 -0.09 6.67 4.05 -0.32 -2.72 114.93 123.31 1sei h MET 18 Ca -0.03 -0.07 0.00 0.00 -0.28 0.00 0.00 59.70 59.32 1sei h MET 18 Cb 1.29 -0.06 0.00 0.00 -0.80 0.00 0.00 31.60 32.02 1sei h MET 18 CO 0.13 0.42 0.00 1.33 0.23 0.00 0.00 176.91 179.02 1sei n VAL 19 N -4.77 0.10 -3.23 -5.77 0.24 -1.09 -4.96 118.33 98.84 1sei n VAL 19 Ca -0.03 -0.29 -0.15 0.00 -2.04 0.00 0.00 64.34 61.83 1sei n VAL 19 Cb 0.13 0.40 0.07 0.00 -1.47 0.00 0.00 33.84 32.97 1sei n VAL 19 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1sei n ARG 20 N 0.21 -5.74 -2.22 7.34 1.74 -0.74 -5.01 116.66 112.23 1sei n ARG 20 Ca 0.18 0.71 -0.32 0.00 -0.77 0.00 0.00 57.85 57.64 1sei n ARG 20 Cb 0.33 -5.32 -0.01 0.00 -1.02 0.00 0.00 32.46 26.44 1sei n ARG 20 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 1sei s HIS 21 N -3.30 3.21 0.21 -1.55 3.76 0.87 -4.96 115.29 113.53 1sei s HIS 21 Ca 0.08 1.49 0.07 0.00 -0.15 0.00 0.00 55.06 56.55 1sei s HIS 21 Cb -0.04 -2.91 0.12 0.00 1.11 0.00 0.00 32.58 30.87 1sei s HIS 21 CO 0.61 -0.75 1.47 0.93 -0.85 0.00 0.00 174.74 176.14 1sei h GLU 22 N 0.69 0.08 -2.80 1.40 3.07 -1.91 -3.42 114.58 111.69 1sei h GLU 22 Ca -0.47 -0.08 0.09 0.00 -0.50 0.00 0.00 59.36 58.40 1sei h GLU 22 Cb 1.20 0.02 -0.07 0.00 -0.84 0.00 0.00 28.75 29.06 1sei h GLU 22 CO 0.59 0.81 0.30 -1.59 -1.40 0.00 0.00 179.01 177.73 1sei s LYS 23 N -3.32 1.54 0.18 2.33 0.00 -1.26 -0.70 119.74 118.51 1sei s LYS 23 Ca -0.02 -0.82 -0.12 0.00 0.00 0.00 0.00 55.97 55.01 1sei s LYS 23 Cb 0.11 0.55 0.01 0.00 0.00 0.00 0.00 37.83 38.50 1sei s LYS 23 CO 0.80 -0.70 0.38 -0.48 0.00 0.00 0.00 175.35 175.34 1sei s LEU 24 N -2.89 0.62 -0.02 2.77 2.34 -0.36 -4.96 118.68 116.18 1sei s LEU 24 Ca 0.10 -0.71 0.04 0.00 0.06 0.00 0.00 54.13 53.61 1sei s LEU 24 Cb -0.04 1.57 -0.00 0.00 -0.56 0.00 0.00 46.19 47.15 1sei s LEU 24 CO 0.03 -0.95 -0.13 -1.61 -1.06 0.00 0.00 176.35 172.63 1sei s GLU 25 N -3.93 1.21 0.04 1.48 2.02 -1.26 -0.31 118.70 117.95 1sei s GLU 25 Ca 0.14 -0.44 0.02 0.00 0.02 0.00 0.00 54.97 54.71 1sei s GLU 25 Cb 0.02 -1.12 -0.02 0.00 0.10 0.00 0.00 34.13 33.11 1sei s GLU 25 CO -0.01 0.21 -0.08 0.14 0.02 0.00 0.00 175.26 175.54 1sei s VAL 26 N -0.03 0.53 0.24 2.63 -7.23 0.07 -4.97 120.40 111.64 1sei s VAL 26 Ca -0.00 -0.97 -0.31 0.00 -1.81 0.00 0.00 61.98 58.89 1sei s VAL 26 Cb -0.08 -0.58 -0.13 0.00 0.56 0.00 0.00 36.38 36.15 1sei s VAL 26 CO 0.01 -0.31 1.56 -2.65 -0.31 0.00 0.00 175.10 173.39 1sei n PRO 27 N 1.67 2.43 -2.07 4.82 -0.02 -1.26 -0.31 135.00 140.25 1sei n PRO 27 Ca -0.21 0.87 -0.33 0.00 -2.02 0.00 0.00 63.50 61.80 1sei n PRO 27 Cb 0.55 -2.62 0.01 0.00 -0.02 0.00 0.00 33.50 31.42 1sei n PRO 27 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1sei s ALA 28 N 0.33 2.69 0.05 3.55 0.00 -0.39 -4.69 121.76 123.29 1sei s ALA 28 Ca 0.70 0.51 -0.27 0.00 0.00 0.00 0.00 51.96 52.90 1sei s ALA 28 Cb -0.57 -3.27 0.09 0.00 0.00 0.00 0.00 23.12 19.36 1sei s ALA 28 CO 0.44 -0.85 0.75 -1.54 0.00 0.00 0.00 175.76 174.57 1sei s SER 29 N -2.50 -0.48 0.11 0.00 1.04 -1.26 -4.93 113.70 105.68 1sei s SER 29 Ca 0.66 0.09 -0.23 0.00 0.48 0.00 0.00 55.95 56.95 1sei s SER 29 Cb -0.18 0.48 -0.10 0.00 0.10 0.00 0.00 66.02 66.32 1sei s SER 29 CO 0.35 -0.75 1.70 0.50 0.98 0.00 0.00 173.24 176.02 1sei h LYS 30 N 2.12 -0.15 -0.33 4.02 3.64 -1.98 0.18 116.57 124.07 1sei h LYS 30 Ca -0.27 0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.10 1sei h LYS 30 Cb 1.26 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 33.10 1sei h LYS 30 CO 0.35 -0.10 0.14 0.82 -2.27 0.00 0.00 179.45 178.39 1sei h ILE 31 N -0.15 1.18 -0.97 2.00 1.08 -1.98 -0.05 117.51 118.61 1sei h ILE 31 Ca 0.03 -0.54 0.01 0.00 -0.39 0.00 0.00 64.86 63.97 1sei h ILE 31 Cb 0.19 0.92 -0.05 0.00 -3.07 0.00 0.00 36.82 34.81 1sei h ILE 31 CO -0.08 0.19 0.64 0.11 -0.69 0.00 0.00 178.15 178.32 1sei h LYS 32 N 0.39 1.28 -0.21 2.37 1.57 -1.90 0.69 116.57 120.75 1sei h LYS 32 Ca 0.11 -0.08 -0.10 0.00 -1.87 0.00 0.00 60.65 58.71 1sei h LYS 32 Cb 0.17 -0.29 -0.01 0.00 0.08 0.00 0.00 32.23 32.18 1sei h LYS 32 CO -0.01 0.85 -0.30 -0.09 -0.57 0.00 0.00 179.45 179.33 1sei h ARG 33 N 1.32 0.43 -0.44 3.15 2.43 -0.31 -1.28 114.38 119.68 1sei h ARG 33 Ca 0.36 -0.18 -0.09 0.00 -0.81 0.00 0.00 59.98 59.26 1sei h ARG 33 Cb -0.15 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.36 1sei h ARG 33 CO -0.08 0.69 -0.09 0.93 -1.51 0.00 0.00 179.97 179.92 1sei h GLU 34 N 0.37 0.77 -0.40 0.20 5.08 0.97 -1.35 114.58 120.23 1sei h GLU 34 Ca 0.05 -0.24 -0.14 0.00 -1.00 0.00 0.00 59.36 58.02 1sei h GLU 34 Cb 0.72 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.89 1sei h GLU 34 CO 0.06 0.84 -0.30 0.82 -1.00 0.00 0.00 179.01 179.42 1sei h ILE 35 N 0.71 1.27 -0.47 3.13 2.04 -0.62 -2.78 117.51 120.79 1sei h ILE 35 Ca 0.12 -1.47 -0.00 0.00 1.00 0.00 0.00 64.86 64.52 1sei h ILE 35 Cb 0.56 1.29 -0.02 0.00 -0.74 0.00 0.00 36.82 37.90 1sei h ILE 35 CO 0.03 0.49 0.28 0.00 0.00 0.00 0.00 178.15 178.95 1sei h ALA 36 N 0.90 0.60 -0.28 1.87 0.00 -0.94 -0.47 119.26 120.93 1sei h ALA 36 Ca 0.08 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 54.96 1sei h ALA 36 Cb 0.87 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.44 1sei h ALA 36 CO 0.08 0.09 0.09 0.93 0.00 0.00 0.00 179.25 180.43 1sei h GLU 37 N 0.62 0.20 -0.55 0.00 4.39 -1.18 0.11 114.58 118.17 1sei h GLU 37 Ca 0.17 -0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.84 1sei h GLU 37 Cb 0.00 -0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 28.58 1sei h GLU 37 CO -0.03 0.13 0.29 0.82 -1.16 0.00 0.00 179.01 179.06 1sei h ILE 38 N 0.20 1.19 -0.71 3.13 2.04 -1.29 0.43 117.51 122.50 1sei h ILE 38 Ca 0.12 -0.51 -0.05 0.00 1.00 0.00 0.00 64.86 65.43 1sei h ILE 38 Cb 0.10 0.52 -0.03 0.00 -0.74 0.00 0.00 36.82 36.67 1sei h ILE 38 CO -0.14 0.21 0.26 -0.07 0.00 0.00 0.00 178.15 178.41 1sei h LEU 39 N 0.74 0.98 -0.15 1.44 4.07 -0.70 0.23 115.31 121.92 1sei h LEU 39 Ca 0.19 -0.16 -0.08 0.00 0.08 0.00 0.00 57.88 57.91 1sei h LEU 39 Cb 0.08 -0.25 -0.00 0.00 1.08 0.00 0.00 40.66 41.56 1sei h LEU 39 CO -0.03 0.89 -0.23 0.50 -1.08 0.00 0.00 178.44 178.49 1sei h LYS 40 N 1.03 0.43 -0.49 1.13 3.64 -0.24 -0.03 116.57 122.04 1sei h LYS 40 Ca 0.23 -0.26 -0.04 0.00 -1.27 0.00 0.00 60.65 59.32 1sei h LYS 40 Cb 0.23 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.05 1sei h LYS 40 CO -0.02 0.84 0.16 -0.09 -2.27 0.00 0.00 179.45 178.08 1sei h ARG 41 N 0.05 0.72 -0.32 1.90 2.43 0.22 -2.32 114.38 117.05 1sei h ARG 41 Ca 0.01 -0.12 0.00 0.00 -0.81 0.00 0.00 59.98 59.07 1sei h ARG 41 Cb 0.80 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 30.23 1sei h ARG 41 CO 0.05 0.62 0.00 0.39 -1.51 0.00 0.00 179.97 179.53 1sei n GLU 42 N -4.32 1.75 -1.02 0.20 -0.58 0.77 -4.93 120.64 112.50 1sei n GLU 42 Ca 0.04 -1.14 -0.01 0.00 -0.42 0.00 0.00 57.16 55.63 1sei n GLU 42 Cb 0.18 -1.25 -0.00 0.00 -0.57 0.00 0.00 31.44 29.80 1sei n GLU 42 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1sei n GLY 43 N 0.99 0.44 0.15 0.62 0.00 -0.87 -4.94 105.19 101.59 1sei n GLY 43 Ca 0.11 -0.13 0.05 0.00 0.00 0.00 0.00 46.02 46.04 1sei n GLY 43 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1sei h PHE 44 N 0.00 0.00 -3.50 1.61 0.04 -1.22 -3.46 116.94 110.40 1sei h PHE 44 Ca -0.01 0.00 -0.32 0.00 2.80 0.00 0.00 57.97 60.43 1sei h PHE 44 Cb 0.23 0.00 -0.15 0.00 2.20 0.00 0.00 35.95 38.24 1sei h PHE 44 CO 0.14 0.39 -0.69 0.96 -0.60 0.00 0.00 178.31 178.51 1sei s ILE 45 N -3.02 0.97 -0.04 -0.55 -4.36 -1.13 -4.46 121.20 108.62 1sei s ILE 45 Ca 0.04 -2.02 -0.22 0.00 -0.26 0.00 0.00 60.65 58.19 1sei s ILE 45 Cb 0.07 -2.02 -0.29 0.00 1.25 0.00 0.00 42.46 41.47 1sei s ILE 45 CO 0.74 -0.59 0.95 0.03 0.24 0.00 0.00 174.94 176.31 1sei h ARG 46 N 2.70 0.32 0.00 0.37 3.08 -0.88 -3.42 114.38 116.55 1sei h ARG 46 Ca -0.37 -0.47 0.26 0.00 0.07 0.00 0.00 59.98 59.47 1sei h ARG 46 Cb 1.20 0.17 -0.05 0.00 0.08 0.00 0.00 29.97 31.37 1sei h ARG 46 CO 0.64 1.19 0.75 -3.47 -1.07 0.00 0.00 179.97 178.01 1sei n ASP 47 N -4.17 -1.32 -3.52 7.04 -0.08 -1.14 -5.01 116.55 108.34 1sei n ASP 47 Ca -0.13 -1.46 -0.11 0.00 -1.51 0.00 0.00 54.79 51.58 1sei n ASP 47 Cb 0.77 2.09 -0.03 0.00 2.34 0.00 0.00 41.12 46.29 1sei n ASP 47 CO 0.00 0.00 0.00 -0.72 0.12 0.00 0.00 177.20 176.60 1sei s TYR 48 N -2.16 -0.39 -0.09 -0.67 -0.85 -1.26 -1.03 117.35 110.91 1sei s TYR 48 Ca 0.26 0.14 -0.12 0.00 -0.52 0.00 0.00 57.07 56.83 1sei s TYR 48 Cb -0.01 0.42 0.03 0.00 0.38 0.00 0.00 41.96 42.77 1sei s TYR 48 CO 0.01 -0.78 0.32 -1.83 -1.52 0.00 0.00 175.55 171.75 1sei s GLU 49 N -3.72 0.47 -0.17 -3.49 -1.05 0.10 -4.96 118.70 105.88 1sei s GLU 49 Ca 0.02 0.23 -0.10 0.00 -0.15 0.00 0.00 54.97 54.96 1sei s GLU 49 Cb 0.00 0.22 -0.05 0.00 -0.44 0.00 0.00 34.13 33.87 1sei s GLU 49 CO -0.12 -0.09 0.18 -0.47 0.95 0.00 0.00 175.26 175.71 1sei s TYR 50 N -0.33 3.47 0.05 4.83 5.04 -1.26 -0.48 117.35 128.68 1sei s TYR 50 Ca -0.05 0.46 -0.08 0.00 -2.44 0.00 0.00 57.07 54.96 1sei s TYR 50 Cb -0.03 -2.16 -0.00 0.00 0.35 0.00 0.00 41.96 40.11 1sei s TYR 50 CO 0.02 0.38 0.16 0.96 -1.34 0.00 0.00 175.55 175.73 1sei s ILE 51 N 0.05 0.13 -0.18 3.14 -4.36 -0.38 -4.97 121.20 114.63 1sei s ILE 51 Ca 0.12 -1.06 -0.02 0.00 -0.26 0.00 0.00 60.65 59.43 1sei s ILE 51 Cb -0.12 -1.06 -0.01 0.00 1.25 0.00 0.00 42.46 42.52 1sei s ILE 51 CO 0.01 -0.58 -0.08 -1.61 0.24 0.00 0.00 174.94 172.92 1sei s GLU 52 N -3.01 3.37 -0.14 0.37 2.02 -1.26 0.81 118.70 120.86 1sei s GLU 52 Ca -0.02 -0.65 0.02 0.00 0.02 0.00 0.00 54.97 54.34 1sei s GLU 52 Cb 0.01 -2.85 0.00 0.00 0.10 0.00 0.00 34.13 31.39 1sei s GLU 52 CO -0.06 -0.04 -0.19 0.34 0.02 0.00 0.00 175.26 175.33 1sei s ASP 53 N 1.02 3.34 -1.42 -0.19 2.15 0.11 -4.69 116.67 116.99 1sei s ASP 53 Ca -0.00 -0.55 -0.01 0.00 0.43 0.00 0.00 52.55 52.42 1sei s ASP 53 Cb -0.15 -1.49 0.00 0.00 -0.30 0.00 0.00 42.92 40.98 1sei s ASP 53 CO -0.01 0.09 0.35 -3.20 -0.17 0.00 0.00 175.17 172.23 1sei n ASN 54 N 4.04 -0.24 -3.82 -0.34 5.15 -1.26 -1.03 115.26 117.75 1sei n ASN 54 Ca -0.20 -1.06 -0.35 0.00 -0.60 0.00 0.00 54.58 52.38 1sei n ASN 54 Cb 0.52 -2.78 0.03 0.00 -0.53 0.00 0.00 39.78 37.01 1sei n ASN 54 CO 0.00 0.00 0.00 1.17 1.40 0.00 0.00 177.26 179.83 1sei n LYS 55 N -4.44 -1.18 -3.66 1.20 3.00 -1.26 -4.98 118.16 106.84 1sei n LYS 55 Ca -0.31 0.34 -0.07 0.00 -0.00 0.00 0.00 58.31 58.27 1sei n LYS 55 Cb 0.69 -3.74 -0.08 0.00 0.00 0.00 0.00 35.03 31.89 1sei n LYS 55 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.40 178.54 1sei s GLN 56 N -6.44 0.44 0.17 1.64 -2.07 -0.20 -5.14 119.66 108.05 1sei s GLN 56 Ca 0.42 1.09 -0.30 0.00 -1.82 0.00 0.00 55.36 54.75 1sei s GLN 56 Cb -0.18 0.34 -0.08 0.00 -1.09 0.00 0.00 33.01 32.00 1sei s GLN 56 CO 0.90 -0.21 1.30 0.20 -1.32 0.00 0.00 175.29 176.15 1sei s GLY 57 N 2.28 2.42 -0.01 2.60 0.00 -1.26 0.05 107.32 113.39 1sei s GLY 57 Ca -0.05 1.07 0.03 0.00 0.00 0.00 0.00 44.72 45.77 1sei s GLY 57 CO -0.15 2.08 -0.11 -0.42 0.00 0.00 0.00 173.10 174.50 1sei s ILE 58 N 0.30 0.85 -0.27 0.90 -1.09 0.24 -1.27 121.20 120.86 1sei s ILE 58 Ca 0.57 -0.44 -0.07 0.00 -2.23 0.00 0.00 60.65 58.48 1sei s ILE 58 Cb -0.35 -0.72 -0.01 0.00 -1.58 0.00 0.00 42.46 39.80 1sei s ILE 58 CO 0.36 0.25 0.06 -0.76 -1.23 0.00 0.00 174.94 173.62 1sei s LEU 59 N -0.15 3.55 -0.30 2.97 1.43 0.57 -1.25 118.68 125.51 1sei s LEU 59 Ca 0.02 -0.45 -0.10 0.00 -1.03 0.00 0.00 54.13 52.57 1sei s LEU 59 Cb -0.05 -1.88 -0.02 0.00 0.03 0.00 0.00 46.19 44.27 1sei s LEU 59 CO -0.00 -0.10 0.15 -0.60 0.23 0.00 0.00 176.35 176.03 1sei s ARG 60 N 1.55 3.49 -0.17 1.70 3.52 0.37 -0.75 118.95 128.65 1sei s ARG 60 Ca 0.05 -0.62 -0.06 0.00 -0.13 0.00 0.00 55.73 54.97 1sei s ARG 60 Cb -0.16 -3.57 -0.04 0.00 -1.56 0.00 0.00 34.95 29.63 1sei s ARG 60 CO 0.02 -0.35 0.04 0.42 -0.81 0.00 0.00 175.30 174.61 1sei s ILE 61 N 1.65 4.56 -0.29 4.11 1.01 0.58 -0.72 121.20 132.09 1sei s ILE 61 Ca 0.05 -0.12 -0.08 0.00 0.00 0.00 0.00 60.65 60.50 1sei s ILE 61 Cb -0.17 -3.03 -0.01 0.00 0.01 0.00 0.00 42.46 39.26 1sei s ILE 61 CO 0.07 0.48 0.12 -0.36 0.00 0.00 0.00 174.94 175.25 1sei s PHE 62 N 0.25 3.15 0.62 3.97 0.40 -0.20 -1.22 117.98 124.95 1sei s PHE 62 Ca 0.02 -0.60 -0.14 0.00 -0.60 0.00 0.00 56.93 55.61 1sei s PHE 62 Cb -0.13 -2.31 -0.03 0.00 0.51 0.00 0.00 43.02 41.07 1sei s PHE 62 CO 0.01 -0.45 1.05 -0.51 0.70 0.00 0.00 175.22 176.02 1sei s LEU 63 N 1.59 3.37 -0.01 -0.37 1.43 0.13 -0.33 118.68 124.49 1sei s LEU 63 Ca 0.05 1.68 0.08 0.00 -1.03 0.00 0.00 54.13 54.90 1sei s LEU 63 Cb -0.17 -4.51 -0.02 0.00 0.03 0.00 0.00 46.19 41.52 1sei s LEU 63 CO 0.05 -1.16 -0.24 -0.75 0.23 0.00 0.00 176.35 174.48 1sei s LYS 64 N -4.50 2.10 0.00 1.70 2.20 -1.26 -4.38 119.74 115.59 1sei s LYS 64 Ca 0.60 -0.94 0.01 0.00 -0.36 0.00 0.00 55.97 55.28 1sei s LYS 64 Cb -0.14 -2.08 -0.01 0.00 -1.51 0.00 0.00 37.83 34.09 1sei s LYS 64 CO 0.44 0.56 -0.04 0.71 -0.36 0.00 0.00 175.35 176.66 1sei s TYR 65 N -0.69 0.33 0.00 4.03 2.02 -1.26 -3.77 117.35 118.01 1sei s TYR 65 Ca 0.11 -0.13 0.00 0.00 -0.37 0.00 0.00 57.07 56.68 1sei s TYR 65 Cb -0.10 -0.21 0.00 0.00 -0.40 0.00 0.00 41.96 41.25 1sei s TYR 65 CO 0.00 -0.02 0.00 0.41 -1.57 0.00 0.00 175.55 174.37 1sei n GLY 66 N 2.77 -1.63 3.55 0.71 0.00 0.61 -4.61 105.19 106.59 1sei n GLY 66 Ca -0.14 -1.53 -0.13 0.00 0.00 0.00 0.00 46.02 44.21 1sei n GLY 66 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1sei n PRO 67 N -0.62 0.14 0.00 1.61 -0.02 -1.26 -3.48 135.00 131.38 1sei n PRO 67 Ca 0.00 -1.53 0.00 0.00 -2.02 0.00 0.00 63.50 59.95 1sei n PRO 67 Cb 0.00 -3.79 0.00 0.00 -0.02 0.00 0.00 33.50 29.69 1sei n PRO 67 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 1sei n ASN 68 N 19.26 0.00 -4.80 2.55 6.94 -1.26 -5.03 115.26 132.92 1sei n ASN 68 Ca 0.40 0.00 -0.34 0.00 -0.02 0.00 0.00 54.58 54.63 1sei n ASN 68 Cb 0.46 0.00 -0.02 0.00 -2.36 0.00 0.00 39.78 37.87 1sei n ASN 68 CO 0.00 0.00 0.00 -1.83 -1.03 0.00 0.00 177.26 174.40 1sei s GLU 69 N -0.02 3.60 0.29 -3.83 1.03 -1.23 -4.97 118.70 113.58 1sei s GLU 69 Ca 0.00 1.32 -0.29 0.00 0.03 0.00 0.00 54.97 56.03 1sei s GLU 69 Cb 0.00 -2.07 -0.10 0.00 -0.80 0.00 0.00 34.13 31.17 1sei s GLU 69 CO 0.00 -0.59 1.19 1.03 -1.33 0.00 0.00 175.26 175.56 1sei s ARG 70 N -3.53 4.51 -0.10 -4.83 0.52 -1.26 -0.28 118.95 113.98 1sei s ARG 70 Ca 0.66 1.97 0.16 0.00 -0.52 0.00 0.00 55.73 58.01 1sei s ARG 70 Cb -0.17 -3.15 -0.23 0.00 0.52 0.00 0.00 34.95 31.92 1sei s ARG 70 CO 0.26 0.02 0.42 0.28 0.02 0.00 0.00 175.30 176.30 1sei n VAL 71 N 1.24 1.36 -3.53 3.52 0.31 -1.25 -4.78 118.33 115.20 1sei n VAL 71 Ca 0.00 -0.79 -0.38 0.00 -0.01 0.00 0.00 64.34 63.16 1sei n VAL 71 Cb 0.44 -0.68 -0.09 0.00 -0.91 0.00 0.00 33.84 32.59 1sei n VAL 71 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 1sei s ILE 72 N -2.65 5.27 -0.14 2.52 1.01 -1.26 -4.95 121.20 121.00 1sei s ILE 72 Ca -0.07 0.37 0.10 0.00 0.00 0.00 0.00 60.65 61.05 1sei s ILE 72 Cb 0.08 -3.60 -0.23 0.00 0.01 0.00 0.00 42.46 38.71 1sei s ILE 72 CO 0.83 0.26 0.29 0.41 0.00 0.00 0.00 174.94 176.73 1sei n THR 73 N 4.70 1.54 -3.61 2.92 -1.04 -1.26 -5.01 114.28 112.53 1sei n THR 73 Ca -0.12 -0.77 -0.11 0.00 -2.04 0.00 0.00 64.05 61.01 1sei n THR 73 Cb 0.52 -0.98 -0.06 0.00 -1.82 0.00 0.00 70.33 67.98 1sei n THR 73 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 1sei s GLY 74 N -5.50 -0.25 -0.20 3.41 0.00 -1.26 -4.98 107.32 98.54 1sei s GLY 74 Ca -0.13 2.29 -0.10 0.00 0.00 0.00 0.00 44.72 46.78 1sei s GLY 74 CO 0.79 1.48 0.47 0.48 0.00 0.00 0.00 173.10 176.32 1sei s LEU 75 N -0.34 -0.41 0.02 0.66 2.34 -1.26 -0.81 118.68 118.88 1sei s LEU 75 Ca 0.00 1.05 -0.10 0.00 0.06 0.00 0.00 54.13 55.15 1sei s LEU 75 Cb -0.03 1.57 0.01 0.00 -0.56 0.00 0.00 46.19 47.18 1sei s LEU 75 CO -0.02 -0.21 0.20 -1.59 -1.06 0.00 0.00 176.35 173.67 1sei s LYS 76 N 1.76 0.62 0.10 1.48 -2.85 -0.48 -4.92 119.74 115.45 1sei s LYS 76 Ca -0.08 -0.47 -0.30 0.00 -1.00 0.00 0.00 55.97 54.12 1sei s LYS 76 Cb -0.09 0.26 -0.06 0.00 -2.06 0.00 0.00 37.83 35.89 1sei s LYS 76 CO -0.14 -0.17 1.08 0.50 0.10 0.00 0.00 175.35 176.72 1sei s ARG 77 N -1.93 4.56 0.00 1.78 3.00 -1.26 -1.31 118.95 123.79 1sei s ARG 77 Ca -0.10 1.63 0.00 0.00 -1.00 0.00 0.00 55.73 56.26 1sei s ARG 77 Cb -0.04 -3.35 0.00 0.00 0.00 0.00 0.00 34.95 31.56 1sei s ARG 77 CO -0.00 -0.03 0.00 -0.89 0.00 0.00 0.00 175.30 174.38 1sei n ILE 78 N 3.21 0.00 -1.98 4.11 2.08 0.70 -4.92 119.36 122.56 1sei n ILE 78 Ca 0.05 0.02 -0.42 0.00 0.56 0.00 0.00 62.75 62.96 1sei n ILE 78 Cb 0.48 -1.00 -0.03 0.00 -0.75 0.00 0.00 39.64 38.34 1sei n ILE 78 CO 0.00 0.00 0.00 -0.55 0.56 0.00 0.00 176.55 176.56 1sei s SER 79 N -1.13 6.63 0.27 4.38 0.15 -0.33 -4.87 113.70 118.81 1sei s SER 79 Ca 0.00 2.56 -0.16 0.00 0.70 0.00 0.00 55.95 59.05 1sei s SER 79 Cb 0.00 -2.59 0.01 0.00 -1.71 0.00 0.00 66.02 61.73 1sei s SER 79 CO 0.00 -0.79 0.60 -1.59 1.20 0.00 0.00 173.24 172.66 1sei s LYS 80 N 1.14 1.71 0.20 5.44 -2.85 -0.78 -4.78 119.74 119.82 1sei s LYS 80 Ca 0.69 -1.17 -0.33 0.00 -1.00 0.00 0.00 55.97 54.16 1sei s LYS 80 Cb -0.42 0.54 -0.13 0.00 -2.06 0.00 0.00 37.83 35.76 1sei s LYS 80 CO 0.31 -0.75 1.59 -2.30 0.10 0.00 0.00 175.35 174.30 1sei n PRO 81 N -0.43 2.35 -0.94 1.78 -0.02 -1.26 -0.95 135.00 135.53 1sei n PRO 81 Ca -0.03 0.84 0.00 0.00 -2.02 0.00 0.00 63.50 62.29 1sei n PRO 81 Cb 0.60 -2.62 0.00 0.00 -0.02 0.00 0.00 33.50 31.47 1sei n PRO 81 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1sei n GLY 82 N 3.25 0.90 2.68 -1.23 0.00 -1.26 -4.82 105.19 104.72 1sei n GLY 82 Ca 0.15 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.07 1sei n GLY 82 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1sei n LEU 83 N 0.00 -2.19 -4.73 0.99 7.94 -0.12 -5.12 117.00 113.77 1sei n LEU 83 Ca 0.00 -3.74 -0.41 0.00 -1.11 0.00 0.00 56.01 50.75 1sei n LEU 83 Cb 0.00 0.89 -0.04 0.00 0.53 0.00 0.00 43.42 44.80 1sei n LEU 83 CO 0.00 2.08 0.66 -0.13 -1.11 0.00 0.00 177.39 178.89 1sei s ARG 84 N 0.14 4.70 -0.30 1.96 1.81 -1.13 -1.86 118.95 124.27 1sei s ARG 84 Ca 0.26 1.44 0.03 0.00 -1.72 0.00 0.00 55.73 55.74 1sei s ARG 84 Cb 0.28 -3.37 0.08 0.00 -0.45 0.00 0.00 34.95 31.48 1sei s ARG 84 CO -0.10 0.23 -0.03 0.08 -0.68 0.00 0.00 175.30 174.80 1sei s VAL 85 N -0.06 2.31 0.07 3.52 1.01 -1.26 -4.94 120.40 121.05 1sei s VAL 85 Ca 0.46 -1.89 0.10 0.00 0.00 0.00 0.00 61.98 60.65 1sei s VAL 85 Cb -0.23 -2.50 -0.03 0.00 0.00 0.00 0.00 36.38 33.62 1sei s VAL 85 CO 0.30 -0.27 -0.26 -0.47 0.00 0.00 0.00 175.10 174.40 1sei s TYR 86 N 1.04 2.30 -0.02 5.22 5.04 -1.26 -0.64 117.35 129.02 1sei s TYR 86 Ca -0.01 -0.40 0.00 0.00 -2.44 0.00 0.00 57.07 54.22 1sei s TYR 86 Cb -0.20 -1.34 0.03 0.00 0.35 0.00 0.00 41.96 40.80 1sei s TYR 86 CO -0.06 0.18 0.02 0.54 -1.34 0.00 0.00 175.55 174.90 1sei s VAL 87 N -0.88 0.01 0.82 3.14 0.11 0.97 -4.97 120.40 119.60 1sei s VAL 87 Ca 0.12 0.17 -0.11 0.00 -2.93 0.00 0.00 61.98 59.23 1sei s VAL 87 Cb -0.10 -0.13 0.08 0.00 -1.53 0.00 0.00 36.38 34.70 1sei s VAL 87 CO 0.03 0.10 1.09 -0.54 -3.33 0.00 0.00 175.10 172.46 1sei s LYS 88 N 1.03 1.88 0.27 1.54 1.02 -1.26 0.04 119.74 124.25 1sei s LYS 88 Ca -0.09 0.74 -0.01 0.00 0.02 0.00 0.00 55.97 56.63 1sei s LYS 88 Cb -0.13 -1.89 0.53 0.00 -0.52 0.00 0.00 37.83 35.82 1sei s LYS 88 CO -0.03 -1.79 1.79 0.00 -0.92 0.00 0.00 175.35 174.40 1sei h ALA 89 N -1.22 1.34 0.00 5.17 0.00 -1.89 0.03 119.26 122.70 1sei h ALA 89 Ca -0.47 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1sei h ALA 89 Cb 1.27 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1sei h ALA 89 CO 0.57 0.02 0.00 1.12 0.00 0.00 0.00 179.25 180.96 1sei h HIS 90 N 0.75 0.00 -0.44 0.00 2.07 -1.92 -3.21 115.15 112.40 1sei h HIS 90 Ca 0.47 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.99 1sei h HIS 90 Cb 0.58 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.56 1sei h HIS 90 CO -0.06 0.00 0.00 -0.85 -3.07 0.00 0.00 177.93 173.95 1sei n GLU 91 N -2.86 2.51 -1.68 5.12 0.28 -0.04 -4.94 120.64 119.02 1sei n GLU 91 Ca 0.02 -2.20 -0.43 0.00 -0.16 0.00 0.00 57.16 54.39 1sei n GLU 91 Cb 0.35 -1.41 -0.03 0.00 1.43 0.00 0.00 31.44 31.78 1sei n GLU 91 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 177.13 177.25 1sei n VAL 92 N 1.10 0.41 -1.67 3.84 0.31 -0.99 -4.83 118.33 116.50 1sei n VAL 92 Ca 0.17 -0.07 -0.39 0.00 -0.01 0.00 0.00 64.34 64.03 1sei n VAL 92 Cb 0.51 -2.10 0.03 0.00 -0.91 0.00 0.00 33.84 31.38 1sei n VAL 92 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 1sei n PRO 93 N 5.81 1.43 -3.37 5.55 -0.04 -1.26 -4.96 135.00 138.16 1sei n PRO 93 Ca 0.19 0.52 -0.46 0.00 -0.04 0.00 0.00 63.50 63.71 1sei n PRO 93 Cb 0.37 -2.31 -0.03 0.00 -0.04 0.00 0.00 33.50 31.49 1sei n PRO 93 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1sei s ARG 94 N -2.54 3.36 -0.30 0.54 3.00 -1.26 -4.80 118.95 116.96 1sei s ARG 94 Ca 0.69 -2.30 -0.25 0.00 0.00 0.00 0.00 55.73 53.87 1sei s ARG 94 Cb -0.46 -4.33 0.00 0.00 0.00 0.00 0.00 34.95 30.16 1sei s ARG 94 CO 0.52 -1.28 0.87 0.08 0.00 0.00 0.00 175.30 175.48 1sei s VAL 95 N 0.45 4.73 0.82 3.52 1.01 -1.26 -5.03 120.40 124.65 1sei s VAL 95 Ca 0.15 1.39 -0.12 0.00 0.00 0.00 0.00 61.98 63.39 1sei s VAL 95 Cb -0.15 -4.21 0.09 0.00 0.00 0.00 0.00 36.38 32.11 1sei s VAL 95 CO -0.06 -0.27 1.18 -0.76 0.00 0.00 0.00 175.10 175.19 1sei s LEU 96 N 3.10 3.07 0.09 3.92 1.43 -1.26 -4.91 118.68 124.12 1sei s LEU 96 Ca 0.36 2.27 -0.31 0.00 -1.03 0.00 0.00 54.13 55.42 1sei s LEU 96 Cb -0.14 -4.58 -0.09 0.00 0.03 0.00 0.00 46.19 41.42 1sei s LEU 96 CO 0.12 -2.69 1.62 0.21 0.23 0.00 0.00 176.35 175.84 1sei s ASN 97 N -2.39 6.62 0.00 2.29 3.84 -1.26 -2.16 114.94 121.87 1sei s ASN 97 Ca 0.70 2.50 0.00 0.00 0.21 0.00 0.00 52.86 56.27 1sei s ASN 97 Cb -0.26 -2.57 0.00 0.00 -0.55 0.00 0.00 41.25 37.87 1sei s ASN 97 CO 0.52 -0.86 0.00 0.61 -2.79 0.00 0.00 177.10 174.58 1sei n GLY 98 N 3.91 0.22 1.08 1.21 0.00 -1.26 -4.95 105.19 105.40 1sei n GLY 98 Ca 0.15 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.27 1sei n GLY 98 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1sei n LEU 99 N 0.00 3.55 0.00 0.99 4.32 -0.92 -5.09 117.00 119.85 1sei n LEU 99 Ca 0.00 -1.97 0.00 0.00 -0.02 0.00 0.00 56.01 54.02 1sei n LEU 99 Cb 0.00 -0.38 0.00 0.00 -1.62 0.00 0.00 43.42 41.42 1sei n LEU 99 CO 0.00 0.88 0.00 0.61 -1.22 0.00 0.00 177.39 177.66 1sei n GLY 100 N 1.22 -1.23 2.88 -0.72 0.00 -1.26 -4.86 105.19 101.22 1sei n GLY 100 Ca 0.19 -2.14 -0.13 0.00 0.00 0.00 0.00 46.02 43.94 1sei n GLY 100 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1sei s ILE 101 N -0.09 -0.03 -0.09 -0.61 1.01 -0.27 -4.90 121.20 116.23 1sei s ILE 101 Ca 0.00 0.11 -0.09 0.00 0.00 0.00 0.00 60.65 60.67 1sei s ILE 101 Cb 0.00 -0.12 -0.04 0.00 0.01 0.00 0.00 42.46 42.30 1sei s ILE 101 CO 0.00 0.04 0.21 0.00 0.00 0.00 0.00 174.94 175.20 1sei s ALA 102 N 0.61 3.83 -0.15 9.38 0.00 -1.26 -1.92 121.76 132.25 1sei s ALA 102 Ca -0.05 -0.53 0.01 0.00 0.00 0.00 0.00 51.96 51.39 1sei s ALA 102 Cb -0.07 -2.08 0.00 0.00 0.00 0.00 0.00 23.12 20.97 1sei s ALA 102 CO -0.02 0.58 -0.17 0.42 0.00 0.00 0.00 175.76 176.57 1sei s ILE 103 N -1.05 2.50 0.13 0.00 1.01 -0.06 -0.71 121.20 123.02 1sei s ILE 103 Ca 0.17 -0.83 0.08 0.00 0.00 0.00 0.00 60.65 60.08 1sei s ILE 103 Cb -0.13 -2.04 -0.04 0.00 0.01 0.00 0.00 42.46 40.26 1sei s ILE 103 CO 0.07 0.52 -0.19 -1.48 0.00 0.00 0.00 174.94 173.86 1sei s LEU 104 N 0.83 2.36 -0.30 2.97 2.34 -0.15 -0.73 118.68 126.00 1sei s LEU 104 Ca -0.05 -0.76 -0.17 0.00 0.06 0.00 0.00 54.13 53.20 1sei s LEU 104 Cb -0.15 -0.83 -0.02 0.00 -0.56 0.00 0.00 46.19 44.63 1sei s LEU 104 CO -0.01 0.00 0.47 -0.55 -1.06 0.00 0.00 176.35 175.21 1sei s SER 105 N -2.24 6.33 0.38 1.48 0.15 0.27 -1.41 113.70 118.67 1sei s SER 105 Ca 0.10 0.23 0.06 0.00 0.70 0.00 0.00 55.95 57.04 1sei s SER 105 Cb -0.08 -2.25 -0.07 0.00 -1.71 0.00 0.00 66.02 61.91 1sei s SER 105 CO 0.05 -0.33 0.03 0.42 1.20 0.00 0.00 173.24 174.61 1sei s THR 106 N 2.26 1.65 -0.72 6.45 -4.23 -0.24 -1.82 115.64 118.99 1sei s THR 106 Ca 0.18 -2.00 0.16 0.00 -1.18 0.00 0.00 61.69 58.85 1sei s THR 106 Cb -0.16 -2.89 0.15 0.00 1.34 0.00 0.00 72.50 70.95 1sei s THR 106 CO 0.11 0.00 1.49 -1.54 -0.54 0.00 0.00 174.62 174.14 1sei n SER 107 N -0.87 0.30 -1.32 3.99 3.41 -1.26 -1.15 113.62 116.71 1sei n SER 107 Ca -0.04 0.59 0.06 0.00 -0.26 0.00 0.00 58.87 59.22 1sei n SER 107 Cb 0.67 -0.65 0.31 0.00 -0.26 0.00 0.00 64.21 64.28 1sei n SER 107 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1sei n GLN 108 N -1.85 3.54 0.00 4.33 6.02 -1.26 -5.08 117.38 123.08 1sei n GLN 108 Ca 0.02 -2.99 0.00 0.00 -0.01 0.00 0.00 57.00 54.02 1sei n GLN 108 Cb 0.14 -2.01 0.00 0.00 1.02 0.00 0.00 30.24 29.39 1sei n GLN 108 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1sei n GLY 109 N -0.18 -2.98 3.66 1.08 0.00 -0.30 -4.90 105.19 101.57 1sei n GLY 109 Ca 0.26 -2.09 -0.42 0.00 0.00 0.00 0.00 46.02 43.77 1sei n GLY 109 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1sei s VAL 110 N -0.48 4.77 0.10 1.61 1.01 -1.26 -1.08 120.40 125.07 1sei s VAL 110 Ca 0.00 1.86 0.02 0.00 0.00 0.00 0.00 61.98 63.86 1sei s VAL 110 Cb 0.00 -4.24 -0.04 0.00 0.00 0.00 0.00 36.38 32.10 1sei s VAL 110 CO 0.00 -0.09 -0.08 -0.76 0.00 0.00 0.00 175.10 174.17 1sei s LEU 111 N 2.76 2.48 0.61 3.92 1.43 -0.50 -4.97 118.68 124.41 1sei s LEU 111 Ca 0.42 -0.94 -0.10 0.00 -1.03 0.00 0.00 54.13 52.48 1sei s LEU 111 Cb -0.16 -0.15 -0.02 0.00 0.03 0.00 0.00 46.19 45.89 1sei s LEU 111 CO 0.09 -0.39 0.99 0.42 0.23 0.00 0.00 176.35 177.69 1sei s THR 112 N -3.21 4.34 0.34 5.49 -4.23 -1.26 -0.98 115.64 116.12 1sei s THR 112 Ca 0.10 0.58 0.10 0.00 -1.18 0.00 0.00 61.69 61.29 1sei s THR 112 Cb 0.02 -3.73 0.33 0.00 1.34 0.00 0.00 72.50 70.46 1sei s THR 112 CO -0.03 -0.90 1.77 -2.24 -0.54 0.00 0.00 174.62 172.67 1sei h ASP 113 N -0.29 0.65 -0.60 3.99 2.03 -1.27 -0.52 116.42 120.41 1sei h ASP 113 Ca -0.45 0.10 -0.08 0.00 -0.73 0.00 0.00 57.03 55.88 1sei h ASP 113 Cb 1.21 -0.01 -0.03 0.00 -0.83 0.00 0.00 39.33 39.68 1sei h ASP 113 CO 0.62 0.17 0.09 0.11 -1.03 0.00 0.00 179.24 179.21 1sei h LYS 114 N 0.60 1.03 -0.15 4.15 6.56 -1.87 -2.17 116.57 124.73 1sei h LYS 114 Ca 0.60 -0.27 -0.17 0.00 -1.06 0.00 0.00 60.65 59.75 1sei h LYS 114 Cb 1.15 -0.12 -0.00 0.00 -0.57 0.00 0.00 32.23 32.68 1sei h LYS 114 CO -0.38 0.95 -0.62 0.93 -2.06 0.00 0.00 179.45 178.28 1sei h GLU 115 N 0.97 0.52 -0.68 3.15 5.08 -1.51 -2.34 114.58 119.77 1sei h GLU 115 Ca 0.19 -0.36 -0.04 0.00 -1.00 0.00 0.00 59.36 58.15 1sei h GLU 115 Cb 0.43 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.70 1sei h GLU 115 CO 0.01 0.98 0.25 0.00 -1.00 0.00 0.00 179.01 179.25 1sei h ALA 116 N 0.94 1.15 -0.22 3.43 0.00 -0.81 0.45 119.26 124.20 1sei h ALA 116 Ca -0.01 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.66 1sei h ALA 116 Cb 1.17 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 1sei h ALA 116 CO 0.11 0.60 -0.06 0.00 0.00 0.00 0.00 179.25 179.91 1sei h ARG 117 N 0.99 0.43 -0.45 0.00 3.08 -1.31 -1.05 114.38 116.08 1sei h ARG 117 Ca 0.23 -0.17 -0.04 0.00 0.07 0.00 0.00 59.98 60.08 1sei h ARG 117 Cb 0.23 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.23 1sei h ARG 117 CO -0.02 0.67 0.13 0.37 -1.07 0.00 0.00 179.97 180.06 1sei h GLN 118 N 0.16 0.66 -0.01 0.04 4.15 -1.28 -2.81 115.11 116.02 1sei h GLN 118 Ca 0.06 -0.11 0.00 0.00 0.77 0.00 0.00 58.65 59.37 1sei h GLN 118 Cb 0.52 -0.11 0.00 0.00 0.21 0.00 0.00 27.48 28.09 1sei h GLN 118 CO 0.02 0.58 -0.29 1.63 -1.93 0.00 0.00 178.83 178.84 1sei n LYS 119 N -4.33 0.62 -2.76 1.69 5.02 0.14 -4.96 118.16 113.58 1sei n LYS 119 Ca 0.03 -0.35 -0.08 0.00 -2.02 0.00 0.00 58.31 55.89 1sei n LYS 119 Cb 0.19 -1.49 0.03 0.00 -0.02 0.00 0.00 35.03 33.74 1sei n LYS 119 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1sei n GLY 120 N 1.37 0.28 3.05 0.72 0.00 -0.52 -5.05 105.19 105.04 1sei n GLY 120 Ca 0.11 -0.29 -0.12 0.00 0.00 0.00 0.00 46.02 45.72 1sei n GLY 120 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1sei s THR 121 N -3.13 0.44 0.00 2.61 -1.32 -0.52 -4.93 115.64 108.79 1sei s THR 121 Ca 0.13 -1.14 0.00 0.00 -1.21 0.00 0.00 61.69 59.47 1sei s THR 121 Cb -0.06 -0.65 0.00 0.00 -1.51 0.00 0.00 72.50 70.29 1sei s THR 121 CO 0.28 -0.47 0.00 0.61 -2.21 0.00 0.00 174.62 172.83 1sei n GLY 122 N 1.32 3.06 0.00 6.08 0.00 -1.26 -4.39 105.19 110.00 1sei n GLY 122 Ca -0.22 -2.08 0.00 0.00 0.00 0.00 0.00 46.02 43.72 1sei n GLY 122 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sei n GLY 123 N 5.00 -1.11 3.70 -0.02 0.00 0.11 -4.59 105.19 108.28 1sei n GLY 123 Ca 0.00 -1.16 -0.35 0.00 0.00 0.00 0.00 46.02 44.51 1sei n GLY 123 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1sei s GLU 124 N -1.83 3.83 -0.43 1.61 2.12 -0.76 -0.02 118.70 123.22 1sei s GLU 124 Ca 0.00 -0.29 -0.25 0.00 0.36 0.00 0.00 54.97 54.79 1sei s GLU 124 Cb 0.00 -3.21 0.02 0.00 0.26 0.00 0.00 34.13 31.20 1sei s GLU 124 CO 0.00 0.41 0.90 0.42 -0.54 0.00 0.00 175.26 176.45 1sei s ILE 125 N -0.01 4.54 -0.12 -3.70 1.01 0.18 -0.56 121.20 122.54 1sei s ILE 125 Ca 0.07 0.82 0.20 0.00 0.00 0.00 0.00 60.65 61.74 1sei s ILE 125 Cb -0.12 -4.38 -0.22 0.00 0.01 0.00 0.00 42.46 37.75 1sei s ILE 125 CO 0.01 -0.72 0.53 2.30 0.00 0.00 0.00 174.94 177.06 1sei n ILE 126 N 6.24 0.77 -3.65 2.92 -5.35 0.09 -1.19 119.36 119.18 1sei n ILE 126 Ca 0.06 -0.65 -0.10 0.00 -0.27 0.00 0.00 62.75 61.78 1sei n ILE 126 Cb 0.48 -0.37 -0.04 0.00 -1.74 0.00 0.00 39.64 37.97 1sei n ILE 126 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1sei s ALA 127 N -3.07 -0.98 -0.04 -1.28 0.00 -1.04 -0.22 121.76 115.14 1sei s ALA 127 Ca -0.06 -0.07 -0.02 0.00 0.00 0.00 0.00 51.96 51.81 1sei s ALA 127 Cb 0.10 0.77 0.02 0.00 0.00 0.00 0.00 23.12 24.01 1sei s ALA 127 CO 0.85 -0.71 0.09 -0.47 0.00 0.00 0.00 175.76 175.52 1sei s TYR 128 N -3.82 -0.09 0.01 0.00 5.04 -0.42 -0.88 117.35 117.18 1sei s TYR 128 Ca 0.05 0.26 0.03 0.00 -2.44 0.00 0.00 57.07 54.96 1sei s TYR 128 Cb 0.01 -0.04 -0.01 0.00 0.35 0.00 0.00 41.96 42.27 1sei s TYR 128 CO -0.09 -0.08 -0.08 0.08 -1.34 0.00 0.00 175.55 174.04 1sei s VAL 129 N 0.44 0.65 0.00 3.14 1.01 -0.81 -1.38 120.40 123.45 1sei s VAL 129 Ca -0.03 -0.51 0.00 0.00 0.00 0.00 0.00 61.98 61.43 1sei s VAL 129 Cb -0.05 -0.58 0.00 0.00 0.00 0.00 0.00 36.38 35.75 1sei s VAL 129 CO -0.02 0.07 0.00 0.00 0.00 0.00 0.00 175.10 175.15