#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a3c s LYS 4 N 0.00 1.06 -0.06 3.69 -2.85 -1.26 -4.12 119.74 116.20 1a3c s LYS 4 Ca 0.00 -0.90 0.03 0.00 -1.00 0.00 0.00 55.97 54.10 1a3c s LYS 4 Cb 0.00 0.42 0.01 0.00 -2.06 0.00 0.00 37.83 36.20 1a3c s LYS 4 CO 0.00 -0.40 -0.14 0.00 0.10 0.00 0.00 175.35 174.92 1a3c s ALA 5 N -3.86 1.34 -0.15 0.59 0.00 -0.31 -4.97 121.76 114.40 1a3c s ALA 5 Ca 0.07 -0.49 -0.27 0.00 0.00 0.00 0.00 51.96 51.28 1a3c s ALA 5 Cb 0.03 -0.56 -0.01 0.00 0.00 0.00 0.00 23.12 22.57 1a3c s ALA 5 CO -0.08 0.15 0.91 0.08 0.00 0.00 0.00 175.76 176.82 1a3c s VAL 6 N 0.54 4.83 -0.26 0.00 1.01 -1.26 -0.64 120.40 124.62 1a3c s VAL 6 Ca -0.13 1.81 -0.16 0.00 0.00 0.00 0.00 61.98 63.50 1a3c s VAL 6 Cb -0.15 -4.21 -0.14 0.00 0.00 0.00 0.00 36.38 31.88 1a3c s VAL 6 CO 0.04 -0.00 -0.21 2.30 0.00 0.00 0.00 175.10 177.23 1a3c n ILE 7 N 4.73 1.53 -4.57 2.22 -5.35 -0.09 -4.95 119.36 112.88 1a3c n ILE 7 Ca 0.07 -0.29 -0.33 0.00 -0.27 0.00 0.00 62.75 61.94 1a3c n ILE 7 Cb 0.48 -1.93 -0.16 0.00 -1.74 0.00 0.00 39.64 36.29 1a3c n ILE 7 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 1a3c s LEU 8 N -7.61 2.11 0.00 7.28 1.43 -1.01 -4.99 118.68 115.89 1a3c s LEU 8 Ca -0.36 -0.61 -0.03 0.00 -1.03 0.00 0.00 54.13 52.10 1a3c s LEU 8 Cb 0.12 -1.45 0.11 0.00 0.03 0.00 0.00 46.19 45.00 1a3c s LEU 8 CO 0.52 0.07 0.69 -0.90 0.23 0.00 0.00 176.35 176.95 1a3c n ASP 9 N 4.17 0.62 -0.25 2.29 5.75 -1.26 -0.51 116.55 127.36 1a3c n ASP 9 Ca -0.20 -1.59 0.00 0.00 -0.01 0.00 0.00 54.79 52.99 1a3c n ASP 9 Cb 0.51 -0.47 0.13 0.00 -1.03 0.00 0.00 41.12 40.26 1a3c n ASP 9 CO 0.00 0.00 0.00 1.05 -0.11 0.00 0.00 177.20 178.14 1a3c h GLU 10 N 0.00 0.67 -0.67 0.11 4.11 -1.91 -1.25 114.58 115.64 1a3c h GLU 10 Ca -0.23 -0.04 -0.07 0.00 0.07 0.00 0.00 59.36 59.09 1a3c h GLU 10 Cb 0.76 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.83 1a3c h GLU 10 CO 0.21 0.44 0.14 0.37 0.07 0.00 0.00 179.01 180.25 1a3c h GLN 11 N 0.69 1.09 -0.53 1.06 5.75 -1.94 -0.64 115.11 120.59 1a3c h GLN 11 Ca 0.34 -0.27 -0.10 0.00 -0.15 0.00 0.00 58.65 58.48 1a3c h GLN 11 Cb 0.29 -0.14 -0.02 0.00 1.07 0.00 0.00 27.48 28.68 1a3c h GLN 11 CO -0.23 0.97 -0.05 0.00 -2.65 0.00 0.00 178.83 176.88 1a3c h ALA 12 N 1.12 0.90 -0.32 3.38 0.00 -1.75 -0.43 119.26 122.16 1a3c h ALA 12 Ca 0.21 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 1a3c h ALA 12 Cb 0.39 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1a3c h ALA 12 CO 0.01 0.64 0.11 0.82 0.00 0.00 0.00 179.25 180.83 1a3c h ILE 13 N 0.87 1.19 -0.57 0.00 2.04 -0.94 -0.64 117.51 119.46 1a3c h ILE 13 Ca 0.15 -0.61 0.02 0.00 1.00 0.00 0.00 64.86 65.42 1a3c h ILE 13 Cb 0.58 1.00 -0.03 0.00 -0.74 0.00 0.00 36.82 37.62 1a3c h ILE 13 CO 0.03 0.21 0.36 -0.09 0.00 0.00 0.00 178.15 178.66 1a3c h ARG 14 N 0.36 0.70 -0.43 2.37 2.43 -0.70 -0.34 114.38 118.77 1a3c h ARG 14 Ca 0.10 -0.04 -0.08 0.00 -0.81 0.00 0.00 59.98 59.15 1a3c h ARG 14 Cb 0.22 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 29.59 1a3c h ARG 14 CO -0.01 0.46 -0.07 0.00 -1.51 0.00 0.00 179.97 178.84 1a3c h ARG 15 N 0.72 0.75 -0.34 0.20 3.08 -0.92 -1.28 114.38 116.59 1a3c h ARG 15 Ca 0.22 -0.23 -0.04 0.00 0.07 0.00 0.00 59.98 60.00 1a3c h ARG 15 Cb -0.03 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 29.94 1a3c h ARG 15 CO -0.07 0.81 0.06 0.00 -1.07 0.00 0.00 179.97 179.70 1a3c h ALA 16 N 1.23 0.45 -0.47 0.04 0.00 -0.55 -0.79 119.26 119.16 1a3c h ALA 16 Ca 0.12 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 1a3c h ALA 16 Cb 0.53 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1a3c h ALA 16 CO 0.03 0.14 0.07 -0.07 0.00 0.00 0.00 179.25 179.42 1a3c h LEU 17 N 0.39 0.69 -0.35 0.00 3.38 -0.89 -0.25 115.31 118.28 1a3c h LEU 17 Ca 0.10 -0.13 -0.13 0.00 0.09 0.00 0.00 57.88 57.82 1a3c h LEU 17 Cb 0.34 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 1a3c h LEU 17 CO 0.01 0.71 -0.28 0.74 0.09 0.00 0.00 178.44 179.71 1a3c h THR 18 N 0.71 1.29 -0.48 0.22 2.02 -1.04 -0.13 112.91 115.50 1a3c h THR 18 Ca 0.15 -1.43 -0.01 0.00 0.77 0.00 0.00 66.41 65.89 1a3c h THR 18 Cb 0.33 1.44 -0.02 0.00 -1.74 0.00 0.00 68.15 68.15 1a3c h THR 18 CO 0.00 0.47 0.27 -0.09 0.37 0.00 0.00 175.52 176.55 1a3c h ARG 19 N 0.58 0.66 -0.57 6.66 2.43 -0.87 -1.56 114.38 121.72 1a3c h ARG 19 Ca 0.06 -0.07 -0.02 0.00 -0.81 0.00 0.00 59.98 59.15 1a3c h ARG 19 Cb 0.85 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 30.24 1a3c h ARG 19 CO 0.07 0.50 0.29 0.82 -1.51 0.00 0.00 179.97 180.14 1a3c h ILE 20 N 0.63 1.20 -0.35 1.20 2.04 -0.79 0.56 117.51 122.00 1a3c h ILE 20 Ca 0.17 -0.53 0.03 0.00 1.00 0.00 0.00 64.86 65.53 1a3c h ILE 20 Cb 0.02 0.51 -0.03 0.00 -0.74 0.00 0.00 36.82 36.58 1a3c h ILE 20 CO -0.03 0.22 0.14 0.00 0.00 0.00 0.00 178.15 178.48 1a3c h ALA 21 N 1.12 0.41 -0.76 1.87 0.00 -0.66 0.24 119.26 121.48 1a3c h ALA 21 Ca 0.20 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 1a3c h ALA 21 Cb 0.09 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 1a3c h ALA 21 CO -0.03 -0.24 0.42 0.45 0.00 0.00 0.00 179.25 179.85 1a3c h HIS 22 N 0.30 1.05 -0.63 0.00 3.86 -0.79 -0.68 115.15 118.26 1a3c h HIS 22 Ca 0.15 -0.02 -0.07 0.00 -1.16 0.00 0.00 60.37 59.27 1a3c h HIS 22 Cb 0.10 -0.34 -0.03 0.00 1.06 0.00 0.00 27.41 28.21 1a3c h HIS 22 CO -0.12 0.73 0.13 0.93 0.86 0.00 0.00 177.93 180.45 1a3c h GLU 23 N 1.06 1.01 -0.43 2.45 5.08 -0.20 -0.71 114.58 122.83 1a3c h GLU 23 Ca 0.27 -0.24 -0.03 0.00 -1.00 0.00 0.00 59.36 58.36 1a3c h GLU 23 Cb 0.03 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.13 1a3c h GLU 23 CO -0.04 0.91 0.16 0.52 -1.00 0.00 0.00 179.01 179.56 1a3c h MET 24 N 0.95 0.65 -0.62 2.33 2.86 -0.35 -1.38 114.93 119.36 1a3c h MET 24 Ca 0.20 -0.12 -0.02 0.00 -2.06 0.00 0.00 59.70 57.70 1a3c h MET 24 Cb 0.38 -0.10 -0.03 0.00 0.06 0.00 0.00 31.60 31.91 1a3c h MET 24 CO 0.01 0.61 0.32 0.82 1.06 0.00 0.00 176.91 179.72 1a3c h ILE 25 N 0.55 1.21 -0.46 -1.22 2.04 -0.73 -1.36 117.51 117.54 1a3c h ILE 25 Ca 0.14 -0.57 -0.10 0.00 1.00 0.00 0.00 64.86 65.33 1a3c h ILE 25 Cb 0.21 0.44 -0.01 0.00 -0.74 0.00 0.00 36.82 36.72 1a3c h ILE 25 CO -0.01 0.24 -0.10 -0.33 0.00 0.00 0.00 178.15 177.94 1a3c h GLU 26 N 0.85 0.88 0.00 2.37 4.39 -0.95 -1.57 114.58 120.55 1a3c h GLU 26 Ca 0.22 -0.33 -0.12 0.00 0.34 0.00 0.00 59.36 59.46 1a3c h GLU 26 Cb 0.09 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 28.67 1a3c h GLU 26 CO -0.03 0.98 -0.56 -0.09 -1.16 0.00 0.00 179.01 178.14 1a3c h ARG 27 N 0.72 0.00 -0.06 2.33 2.43 -1.11 -3.33 114.38 115.36 1a3c h ARG 27 Ca 0.12 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.28 1a3c h ARG 27 Cb 0.65 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.19 1a3c h ARG 27 CO 0.04 0.56 -0.10 0.09 -1.51 0.00 0.00 179.97 179.06 1a3c n ASN 28 N -3.46 2.48 0.00 -3.80 3.02 -0.52 -5.10 115.26 107.88 1a3c n ASN 28 Ca 0.00 -3.27 0.00 0.00 -0.03 0.00 0.00 54.58 51.28 1a3c n ASN 28 Cb 0.67 -0.48 0.00 0.00 -0.61 0.00 0.00 39.78 39.36 1a3c n ASN 28 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1a3c n LYS 29 N -1.22 0.00 0.00 3.52 4.76 -0.60 -4.99 118.16 119.64 1a3c n LYS 29 Ca 0.18 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.62 1a3c n LYS 29 Cb 0.71 -0.27 0.00 0.00 -1.84 0.00 0.00 35.03 33.63 1a3c n LYS 29 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1a3c s ILE 35 N -1.81 2.99 -0.10 0.00 1.01 -0.79 -4.23 121.20 118.26 1a3c s ILE 35 Ca 0.00 -0.68 -0.13 0.00 0.00 0.00 0.00 60.65 59.84 1a3c s ILE 35 Cb 0.00 -2.25 -0.05 0.00 0.01 0.00 0.00 42.46 40.17 1a3c s ILE 35 CO 0.00 0.52 0.29 -0.76 0.00 0.00 0.00 174.94 175.00 1a3c s LEU 36 N 0.40 4.35 -0.14 2.97 1.43 -0.38 -0.93 118.68 126.38 1a3c s LEU 36 Ca -0.11 0.63 -0.01 0.00 -1.03 0.00 0.00 54.13 53.62 1a3c s LEU 36 Cb -0.16 -2.37 0.04 0.00 0.03 0.00 0.00 46.19 43.73 1a3c s LEU 36 CO 0.05 0.24 -0.03 -0.69 0.23 0.00 0.00 176.35 176.15 1a3c s VAL 37 N -0.33 0.85 0.32 -1.59 1.01 0.01 -0.33 120.40 120.34 1a3c s VAL 37 Ca 0.18 -0.40 -0.19 0.00 0.00 0.00 0.00 61.98 61.57 1a3c s VAL 37 Cb -0.14 -1.05 -0.09 0.00 0.00 0.00 0.00 36.38 35.10 1a3c s VAL 37 CO 0.07 0.15 0.81 -0.83 0.00 0.00 0.00 175.10 175.30 1a3c s GLY 38 N 1.75 2.49 0.04 4.51 0.00 -0.47 -0.79 107.32 114.85 1a3c s GLY 38 Ca 0.02 0.23 0.06 0.00 0.00 0.00 0.00 44.72 45.04 1a3c s GLY 38 CO -0.07 0.53 -0.19 -0.26 0.00 0.00 0.00 173.10 173.11 1a3c s ILE 39 N -1.85 1.50 0.21 0.90 -4.36 -0.53 -1.22 121.20 115.85 1a3c s ILE 39 Ca 0.52 -1.11 0.00 0.00 -0.26 0.00 0.00 60.65 59.81 1a3c s ILE 39 Cb -0.13 -1.31 0.00 0.00 1.25 0.00 0.00 42.46 42.27 1a3c s ILE 39 CO 0.18 0.17 0.00 0.29 0.24 0.00 0.00 174.94 175.83 1a3c n LYS 40 N 1.93 -1.35 -0.18 0.37 5.02 -1.26 -2.93 118.16 119.76 1a3c n LYS 40 Ca -0.17 1.07 -0.01 0.00 -2.02 0.00 0.00 58.31 57.18 1a3c n LYS 40 Cb 0.54 -1.40 0.09 0.00 -0.02 0.00 0.00 35.03 34.23 1a3c n LYS 40 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 1a3c h THR 41 N -0.16 0.71 0.00 -0.18 2.02 -1.93 -1.21 112.91 112.16 1a3c h THR 41 Ca -0.03 -0.10 -0.09 0.00 0.77 0.00 0.00 66.41 66.96 1a3c h THR 41 Cb 0.40 0.40 -0.01 0.00 -1.74 0.00 0.00 68.15 67.20 1a3c h THR 41 CO 0.01 0.05 -0.43 0.03 0.37 0.00 0.00 175.52 175.55 1a3c h ARG 42 N 0.28 0.00 -0.49 6.66 3.08 -1.98 -2.86 114.38 119.07 1a3c h ARG 42 Ca 0.28 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 60.25 1a3c h ARG 42 Cb 0.38 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.41 1a3c h ARG 42 CO -0.34 0.43 -0.02 0.78 -1.07 0.00 0.00 179.97 179.74 1a3c h GLY 43 N 3.00 0.90 0.90 0.04 0.00 -1.14 0.29 103.07 107.07 1a3c h GLY 43 Ca -0.00 -0.62 -0.03 0.00 0.00 0.00 0.00 47.33 46.67 1a3c h GLY 43 CO 0.06 0.58 0.07 -2.22 0.00 0.00 0.00 176.54 175.02 1a3c h ILE 44 N 0.77 1.22 -0.72 2.60 2.04 -1.11 -0.16 117.51 122.15 1a3c h ILE 44 Ca 0.14 -0.76 -0.07 0.00 1.00 0.00 0.00 64.86 65.17 1a3c h ILE 44 Cb 0.50 1.11 -0.03 0.00 -0.74 0.00 0.00 36.82 37.65 1a3c h ILE 44 CO 0.03 0.25 0.18 1.88 0.00 0.00 0.00 178.15 180.49 1a3c h TYR 45 N 0.36 1.21 -0.88 1.37 0.05 -1.28 -1.93 116.97 115.87 1a3c h TYR 45 Ca 0.10 -0.14 -0.03 0.00 0.05 0.00 0.00 58.73 58.71 1a3c h TYR 45 Cb 0.31 -0.34 -0.04 0.00 1.01 0.00 0.00 36.73 37.67 1a3c h TYR 45 CO 0.02 0.97 0.45 -0.07 -1.05 0.00 0.00 178.16 178.48 1a3c h LEU 46 N 1.09 1.13 -0.95 3.88 3.38 -0.72 -1.22 115.31 121.89 1a3c h LEU 46 Ca 0.23 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 58.08 1a3c h LEU 46 Cb 0.37 -0.29 -0.05 0.00 0.09 0.00 0.00 40.66 40.79 1a3c h LEU 46 CO 0.00 0.93 0.59 0.00 0.09 0.00 0.00 178.44 180.04 1a3c h ALA 47 N 1.25 1.21 -0.58 1.53 0.00 -0.46 0.23 119.26 122.43 1a3c h ALA 47 Ca 0.31 -0.09 -0.10 0.00 0.00 0.00 0.00 54.91 55.02 1a3c h ALA 47 Cb 0.08 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 1a3c h ALA 47 CO -0.04 0.65 -0.02 0.87 0.00 0.00 0.00 179.25 180.70 1a3c h LYS 48 N 1.30 1.02 -0.36 0.00 1.57 -0.94 -0.75 116.57 118.41 1a3c h LYS 48 Ca 0.34 -0.33 -0.03 0.00 -1.87 0.00 0.00 60.65 58.77 1a3c h LYS 48 Cb -0.08 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.12 1a3c h LYS 48 CO -0.07 1.01 0.11 0.00 -0.57 0.00 0.00 179.45 179.94 1a3c h ARG 49 N 0.93 0.56 -0.78 3.15 3.08 -0.81 -2.22 114.38 118.29 1a3c h ARG 49 Ca 0.16 -0.12 0.00 0.00 0.07 0.00 0.00 59.98 60.09 1a3c h ARG 49 Cb 0.57 -0.08 -0.04 0.00 0.08 0.00 0.00 29.97 30.50 1a3c h ARG 49 CO 0.03 0.58 0.50 -0.07 -1.07 0.00 0.00 179.97 179.94 1a3c h LEU 50 N 0.43 0.91 -1.01 3.04 3.38 -0.73 -1.06 115.31 120.28 1a3c h LEU 50 Ca 0.12 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1a3c h LEU 50 Cb 0.26 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 40.73 1a3c h LEU 50 CO -0.00 0.68 0.62 0.00 0.09 0.00 0.00 178.44 179.83 1a3c h ALA 51 N 1.27 1.27 -0.40 1.53 0.00 -1.00 0.12 119.26 122.05 1a3c h ALA 51 Ca 0.28 -0.08 -0.13 0.00 0.00 0.00 0.00 54.91 54.98 1a3c h ALA 51 Cb -0.09 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 17.30 1a3c h ALA 51 CO -0.06 0.66 -0.28 0.93 0.00 0.00 0.00 179.25 180.50 1a3c h GLU 52 N 1.33 0.86 -0.42 0.00 4.39 -0.94 -1.72 114.58 118.08 1a3c h GLU 52 Ca 0.35 -0.38 -0.07 0.00 0.34 0.00 0.00 59.36 59.59 1a3c h GLU 52 Cb -0.12 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.50 1a3c h GLU 52 CO -0.07 1.03 -0.03 0.00 -1.16 0.00 0.00 179.01 178.77 1a3c h ARG 53 N 0.73 0.76 -0.63 2.33 2.47 -0.61 -1.50 114.38 117.92 1a3c h ARG 53 Ca 0.09 -0.26 -0.06 0.00 -1.26 0.00 0.00 59.98 58.49 1a3c h ARG 53 Cb 0.83 -0.06 -0.03 0.00 -1.65 0.00 0.00 29.97 29.06 1a3c h ARG 53 CO 0.07 0.85 0.15 0.82 0.56 0.00 0.00 179.97 182.42 1a3c h ILE 54 N 0.59 1.25 -0.43 2.04 2.04 -0.84 -0.66 117.51 121.50 1a3c h ILE 54 Ca 0.11 -0.92 -0.09 0.00 1.00 0.00 0.00 64.86 64.97 1a3c h ILE 54 Cb 0.53 0.60 -0.02 0.00 -0.74 0.00 0.00 36.82 37.20 1a3c h ILE 54 CO 0.03 0.35 -0.10 -0.33 0.00 0.00 0.00 178.15 178.09 1a3c h GLU 55 N 0.95 0.76 0.00 2.37 5.08 -1.15 0.33 114.58 122.92 1a3c h GLU 55 Ca 0.20 -0.25 -0.06 0.00 -1.00 0.00 0.00 59.36 58.25 1a3c h GLU 55 Cb 0.35 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 1a3c h GLU 55 CO 0.00 0.84 -0.31 0.37 -1.00 0.00 0.00 179.01 178.91 1a3c h GLN 56 N 0.69 0.00 0.00 2.33 4.15 -0.47 0.19 115.11 122.00 1a3c h GLN 56 Ca 0.12 0.00 -0.16 0.00 0.77 0.00 0.00 58.65 59.38 1a3c h GLN 56 Cb 0.58 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.24 1a3c h GLN 56 CO 0.04 0.31 -0.92 0.82 -1.93 0.00 0.00 178.83 177.15 1a3c h ILE 57 N 0.00 0.95 0.00 2.39 2.04 -0.55 -3.41 117.51 118.93 1a3c h ILE 57 Ca -0.00 -2.05 -0.19 0.00 1.00 0.00 0.00 64.86 63.61 1a3c h ILE 57 Cb 0.86 2.13 -0.03 0.00 -0.74 0.00 0.00 36.82 39.04 1a3c h ILE 57 CO 0.04 0.32 -1.28 -0.33 0.00 0.00 0.00 178.15 176.91 1a3c h GLU 58 N -1.00 0.00 0.00 2.37 4.39 -0.45 -3.49 114.58 116.40 1a3c h GLU 58 Ca -0.24 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.46 1a3c h GLU 58 Cb 1.13 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.78 1a3c h GLU 58 CO -0.15 0.47 0.00 0.41 -1.16 0.00 0.00 179.01 178.58 1a3c n GLY 59 N 1.40 0.87 3.44 -3.84 0.00 0.65 -5.04 105.19 102.67 1a3c n GLY 59 Ca -0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.64 1a3c n GLY 59 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1a3c s ASN 60 N -2.80 3.65 0.62 1.61 0.01 -1.26 -5.00 114.94 111.77 1a3c s ASN 60 Ca 0.00 -0.53 -0.19 0.00 -0.71 0.00 0.00 52.86 51.42 1a3c s ASN 60 Cb 0.00 -0.49 -0.02 0.00 0.41 0.00 0.00 41.25 41.15 1a3c s ASN 60 CO 0.00 0.22 1.31 -0.81 -1.51 0.00 0.00 177.10 176.32 1a3c n PRO 61 N 1.29 1.30 -4.58 -0.60 -0.04 -1.26 -4.18 135.00 126.94 1a3c n PRO 61 Ca -0.16 0.50 -0.28 0.00 -0.04 0.00 0.00 63.50 63.51 1a3c n PRO 61 Cb 0.52 -2.54 -0.17 0.00 -0.04 0.00 0.00 33.50 31.27 1a3c n PRO 61 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1a3c s VAL 62 N -1.35 1.52 0.25 0.52 1.01 -1.26 -5.01 120.40 116.08 1a3c s VAL 62 Ca 0.79 -0.67 -0.30 0.00 0.00 0.00 0.00 61.98 61.80 1a3c s VAL 62 Cb -0.39 -1.38 -0.09 0.00 0.00 0.00 0.00 36.38 34.52 1a3c s VAL 62 CO 0.43 0.44 1.00 -0.89 0.00 0.00 0.00 175.10 176.08 1a3c s THR 63 N 0.85 3.88 -0.10 3.92 2.01 -1.26 -4.93 115.64 120.00 1a3c s THR 63 Ca -0.10 1.88 0.03 0.00 0.31 0.00 0.00 61.69 63.82 1a3c s THR 63 Cb -0.15 -4.20 0.00 0.00 0.01 0.00 0.00 72.50 68.16 1a3c s THR 63 CO 0.01 0.44 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.47 1a3c s VAL 64 N -1.10 1.89 0.44 3.82 1.01 -1.26 -1.25 120.40 123.96 1a3c s VAL 64 Ca 0.43 -0.91 0.01 0.00 0.00 0.00 0.00 61.98 61.50 1a3c s VAL 64 Cb -0.28 -1.66 -0.00 0.00 0.00 0.00 0.00 36.38 34.44 1a3c s VAL 64 CO 0.35 0.52 0.04 0.61 0.00 0.00 0.00 175.10 176.62 1a3c n GLY 65 N 3.69 3.52 3.26 4.51 0.00 0.55 -4.58 105.19 116.14 1a3c n GLY 65 Ca -0.20 -2.29 -0.14 0.00 0.00 0.00 0.00 46.02 43.40 1a3c n GLY 65 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1a3c s GLU 66 N -3.62 0.68 -0.11 1.61 -1.05 -0.30 -1.37 118.70 114.54 1a3c s GLU 66 Ca 0.06 -0.09 0.03 0.00 -0.15 0.00 0.00 54.97 54.81 1a3c s GLU 66 Cb 0.00 0.30 -0.00 0.00 -0.44 0.00 0.00 34.13 33.99 1a3c s GLU 66 CO 0.04 -0.18 -0.20 0.42 0.95 0.00 0.00 175.26 176.28 1a3c s ILE 67 N -1.17 2.35 -0.44 1.83 1.01 -0.36 -1.06 121.20 123.36 1a3c s ILE 67 Ca -0.12 -0.91 -0.19 0.00 0.00 0.00 0.00 60.65 59.43 1a3c s ILE 67 Cb -0.05 -1.93 0.03 0.00 0.01 0.00 0.00 42.46 40.52 1a3c s ILE 67 CO 0.04 0.55 0.55 -0.62 0.00 0.00 0.00 174.94 175.46 1a3c s ASP 68 N 0.41 6.25 -0.02 3.58 2.15 0.11 -4.17 116.67 124.99 1a3c s ASP 68 Ca -0.15 -0.56 0.05 0.00 0.43 0.00 0.00 52.55 52.32 1a3c s ASP 68 Cb -0.17 -2.27 -0.01 0.00 -0.30 0.00 0.00 42.92 40.16 1a3c s ASP 68 CO 0.07 -0.71 -0.18 -0.63 -0.17 0.00 0.00 175.17 173.55 1a3c s ILE 69 N 2.49 1.42 -0.03 4.11 1.01 -1.26 -0.40 121.20 128.55 1a3c s ILE 69 Ca 0.17 -0.77 0.05 0.00 0.00 0.00 0.00 60.65 60.10 1a3c s ILE 69 Cb -0.16 -1.19 -0.01 0.00 0.01 0.00 0.00 42.46 41.12 1a3c s ILE 69 CO 0.16 0.40 -0.16 -0.89 0.00 0.00 0.00 174.94 174.45 1a3c s THR 70 N -0.39 1.33 0.44 2.92 2.01 -0.14 -4.71 115.64 117.11 1a3c s THR 70 Ca 0.06 -0.69 -0.11 0.00 0.31 0.00 0.00 61.69 61.26 1a3c s THR 70 Cb -0.07 -1.13 -0.06 0.00 0.01 0.00 0.00 72.50 71.24 1a3c s THR 70 CO -0.00 0.38 0.83 -0.76 -0.69 0.00 0.00 174.62 174.38 1a3c s LEU 71 N -0.14 3.74 -0.21 4.42 1.43 -1.26 0.58 118.68 127.23 1a3c s LEU 71 Ca 0.01 1.22 -0.11 0.00 -1.03 0.00 0.00 54.13 54.22 1a3c s LEU 71 Cb -0.09 -4.13 0.07 0.00 0.03 0.00 0.00 46.19 42.07 1a3c s LEU 71 CO 0.01 -0.48 0.51 -0.31 0.23 0.00 0.00 176.35 176.31 1a3c s TYR 72 N -2.49 -0.79 -0.17 0.29 2.02 -1.15 -4.91 117.35 110.15 1a3c s TYR 72 Ca 0.53 1.61 -0.14 0.00 -0.37 0.00 0.00 57.07 58.70 1a3c s TYR 72 Cb -0.10 0.41 -0.05 0.00 -0.40 0.00 0.00 41.96 41.82 1a3c s TYR 72 CO 0.34 -0.42 0.29 1.03 -1.57 0.00 0.00 175.55 175.22 1a3c s ARG 73 N 1.60 4.24 0.00 -0.62 0.52 -1.26 -1.05 118.95 122.38 1a3c s ARG 73 Ca -0.09 0.08 0.00 0.00 -0.52 0.00 0.00 55.73 55.20 1a3c s ARG 73 Cb -0.08 -3.45 0.00 0.00 0.52 0.00 0.00 34.95 31.95 1a3c s ARG 73 CO -0.15 0.19 0.00 -1.71 0.02 0.00 0.00 175.30 173.65 1a3c n ASN 82 N 3.74 0.00 -4.62 0.23 4.05 -1.26 -5.01 115.26 112.39 1a3c n ASN 82 Ca -0.12 0.00 -0.43 0.00 0.45 0.00 0.00 54.58 54.49 1a3c n ASN 82 Cb 0.52 0.00 -0.03 0.00 1.23 0.00 0.00 39.78 41.50 1a3c n ASN 82 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 177.26 172.40 1a3c s ASP 83 N 0.00 5.80 -0.51 1.20 1.01 -1.26 -4.88 116.67 118.03 1a3c s ASP 83 Ca 0.00 2.09 -0.11 0.00 0.71 0.00 0.00 52.55 55.24 1a3c s ASP 83 Cb 0.00 -2.52 0.13 0.00 1.01 0.00 0.00 42.92 41.54 1a3c s ASP 83 CO 0.00 -1.66 0.42 -1.61 0.21 0.00 0.00 175.17 172.53 1a3c s GLU 84 N 5.71 2.69 0.03 8.23 2.02 -0.21 -4.85 118.70 132.31 1a3c s GLU 84 Ca 0.95 -1.80 -0.29 0.00 0.02 0.00 0.00 54.97 53.85 1a3c s GLU 84 Cb -0.35 -4.06 -0.04 0.00 0.10 0.00 0.00 34.13 29.78 1a3c s GLU 84 CO 0.37 -1.24 0.95 -2.14 0.02 0.00 0.00 175.26 173.22 1a3c s PRO 85 N 1.35 4.59 -0.06 0.39 0.02 -1.26 -2.92 135.00 137.10 1a3c s PRO 85 Ca 0.06 1.39 -0.03 0.00 0.02 0.00 0.00 61.00 62.44 1a3c s PRO 85 Cb -0.27 -3.43 -0.04 0.00 0.02 0.00 0.00 34.50 30.79 1a3c s PRO 85 CO 0.00 0.04 0.08 -0.51 -0.33 0.00 0.00 177.00 176.29 1a3c s LEU 86 N 0.67 4.00 -0.41 -5.54 1.43 0.20 -4.86 118.68 114.16 1a3c s LEU 86 Ca 0.49 0.26 -0.19 0.00 -1.03 0.00 0.00 54.13 53.66 1a3c s LEU 86 Cb -0.21 -2.11 0.02 0.00 0.03 0.00 0.00 46.19 43.91 1a3c s LEU 86 CO 0.28 0.35 0.57 -0.69 0.23 0.00 0.00 176.35 177.08 1a3c s VAL 87 N -1.06 4.93 0.08 -1.59 1.01 -1.26 -0.96 120.40 121.54 1a3c s VAL 87 Ca 0.18 0.10 -0.12 0.00 0.00 0.00 0.00 61.98 62.13 1a3c s VAL 87 Cb -0.12 -4.11 -0.24 0.00 0.00 0.00 0.00 36.38 31.91 1a3c s VAL 87 CO 0.08 -0.46 1.18 0.11 0.00 0.00 0.00 175.10 176.01 1a3c h LYS 88 N 8.72 0.63 -1.56 2.72 1.57 -1.11 -3.49 116.57 124.04 1a3c h LYS 88 Ca -0.26 -0.73 0.40 0.00 -1.87 0.00 0.00 60.65 58.19 1a3c h LYS 88 Cb 1.11 0.22 -0.11 0.00 0.08 0.00 0.00 32.23 33.53 1a3c h LYS 88 CO 0.84 1.31 1.00 0.20 -0.57 0.00 0.00 179.45 182.23 1a3c s GLY 89 N -4.37 -0.34 -0.06 3.86 0.00 -1.18 -5.01 107.32 100.21 1a3c s GLY 89 Ca -0.09 0.52 -0.10 0.00 0.00 0.00 0.00 44.72 45.05 1a3c s GLY 89 CO 0.92 3.79 0.26 0.00 0.00 0.00 0.00 173.10 178.07 1a3c s ALA 90 N -2.02 -0.65 -0.31 3.20 0.00 -1.26 0.07 121.76 120.79 1a3c s ALA 90 Ca 0.24 0.51 -0.02 0.00 0.00 0.00 0.00 51.96 52.69 1a3c s ALA 90 Cb 0.04 -0.23 0.11 0.00 0.00 0.00 0.00 23.12 23.04 1a3c s ALA 90 CO -0.05 -0.18 0.14 0.34 0.00 0.00 0.00 175.76 176.02 1a3c s ASP 91 N -0.47 3.62 -0.22 0.00 -1.08 -0.22 -5.01 116.67 113.28 1a3c s ASP 91 Ca -0.06 -1.60 0.02 0.00 -0.52 0.00 0.00 52.55 50.40 1a3c s ASP 91 Cb -0.04 -0.56 0.04 0.00 -1.46 0.00 0.00 42.92 40.91 1a3c s ASP 91 CO 0.02 -0.41 -0.14 -0.63 0.52 0.00 0.00 175.17 174.53 1a3c s ILE 92 N 1.71 2.01 -2.00 4.11 1.01 -1.26 -1.14 121.20 125.64 1a3c s ILE 92 Ca 0.11 -1.28 0.13 0.00 0.00 0.00 0.00 60.65 59.61 1a3c s ILE 92 Cb -0.18 -2.02 0.36 0.00 0.01 0.00 0.00 42.46 40.63 1a3c s ILE 92 CO -0.26 0.19 1.20 -0.81 0.00 0.00 0.00 174.94 175.26 1a3c n PRO 93 N 4.55 0.54 -4.00 2.79 -0.04 -1.26 -4.79 135.00 132.78 1a3c n PRO 93 Ca -0.16 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.22 1a3c n PRO 93 Cb 0.45 -1.37 -0.09 0.00 -0.04 0.00 0.00 33.50 32.45 1a3c n PRO 93 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1a3c s VAL 94 N -2.00 0.18 0.22 0.52 -7.23 -1.26 -5.14 120.40 105.70 1a3c s VAL 94 Ca 0.19 -1.57 -0.30 0.00 -1.81 0.00 0.00 61.98 58.49 1a3c s VAL 94 Cb 0.09 -1.49 -0.10 0.00 0.56 0.00 0.00 36.38 35.44 1a3c s VAL 94 CO 0.15 -0.82 1.42 -0.62 -0.31 0.00 0.00 175.10 174.91 1a3c s ASP 95 N -2.91 6.71 0.00 4.85 -1.08 -1.26 -4.93 116.67 118.05 1a3c s ASP 95 Ca 0.07 2.59 0.21 0.00 -0.52 0.00 0.00 52.55 54.90 1a3c s ASP 95 Cb 0.07 -2.62 0.17 0.00 -1.46 0.00 0.00 42.92 39.08 1a3c s ASP 95 CO -0.09 -0.67 1.17 2.30 0.52 0.00 0.00 175.17 178.39 1a3c n ILE 96 N 2.62 0.00 -1.86 4.11 -5.35 -1.26 -4.90 119.36 112.72 1a3c n ILE 96 Ca 0.07 -0.50 -0.42 0.00 -0.27 0.00 0.00 62.75 61.64 1a3c n ILE 96 Cb 0.41 1.44 -0.03 0.00 -1.74 0.00 0.00 39.64 39.72 1a3c n ILE 96 CO 0.00 0.00 0.00 -0.89 -1.76 0.00 0.00 176.55 173.90 1a3c s THR 97 N -1.77 2.36 -0.82 7.28 2.01 -1.26 -1.44 115.64 122.00 1a3c s THR 97 Ca 0.25 0.27 0.00 0.00 0.31 0.00 0.00 61.69 62.52 1a3c s THR 97 Cb 0.18 -3.17 0.00 0.00 0.01 0.00 0.00 72.50 69.51 1a3c s THR 97 CO 0.27 0.03 0.00 0.47 -0.69 0.00 0.00 174.62 174.69 1a3c n ASP 98 N 3.37 -5.02 -4.71 3.53 8.00 0.12 -4.87 116.55 116.98 1a3c n ASP 98 Ca 0.12 0.19 -0.24 0.00 0.71 0.00 0.00 54.79 55.58 1a3c n ASP 98 Cb 0.38 -3.20 -0.07 0.00 -0.02 0.00 0.00 41.12 38.21 1a3c n ASP 98 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1a3c s GLN 99 N -2.39 2.29 -0.21 -1.24 -1.52 -0.52 -4.41 119.66 111.66 1a3c s GLN 99 Ca 0.00 -1.62 -0.15 0.00 -1.95 0.00 0.00 55.36 51.64 1a3c s GLN 99 Cb 0.00 -2.10 -0.04 0.00 -0.22 0.00 0.00 33.01 30.65 1a3c s GLN 99 CO 0.00 0.10 0.34 0.15 -0.25 0.00 0.00 175.29 175.63 1a3c s LYS 100 N -3.82 4.14 -0.07 2.91 1.02 -1.26 -0.78 119.74 121.88 1a3c s LYS 100 Ca 0.37 0.08 0.03 0.00 0.02 0.00 0.00 55.97 56.48 1a3c s LYS 100 Cb -0.01 -3.55 -0.02 0.00 -0.52 0.00 0.00 37.83 33.73 1a3c s LYS 100 CO 0.22 -0.03 -0.15 0.08 -0.92 0.00 0.00 175.35 174.54 1a3c s VAL 101 N 1.30 2.94 -0.26 3.17 1.01 -0.69 -1.89 120.40 125.99 1a3c s VAL 101 Ca 0.16 -0.75 -0.00 0.00 0.00 0.00 0.00 61.98 61.39 1a3c s VAL 101 Cb -0.15 -2.17 0.04 0.00 0.00 0.00 0.00 36.38 34.11 1a3c s VAL 101 CO 0.07 0.57 -0.07 -0.63 0.00 0.00 0.00 175.10 175.04 1a3c s ILE 102 N -0.36 2.64 0.33 2.22 1.01 -0.11 -0.45 121.20 126.48 1a3c s ILE 102 Ca 0.03 -1.27 -0.28 0.00 0.00 0.00 0.00 60.65 59.14 1a3c s ILE 102 Cb -0.12 -2.42 -0.09 0.00 0.01 0.00 0.00 42.46 39.83 1a3c s ILE 102 CO 0.02 0.09 1.13 -0.76 0.00 0.00 0.00 174.94 175.43 1a3c s LEU 103 N 1.24 4.39 -0.14 2.97 1.43 0.19 -0.81 118.68 127.96 1a3c s LEU 103 Ca -0.03 2.30 0.02 0.00 -1.03 0.00 0.00 54.13 55.39 1a3c s LEU 103 Cb -0.18 -3.81 0.01 0.00 0.03 0.00 0.00 46.19 42.25 1a3c s LEU 103 CO -0.05 -0.36 -0.20 -0.69 0.23 0.00 0.00 176.35 175.28 1a3c s VAL 104 N -1.30 1.94 0.07 -1.59 1.01 0.03 -0.56 120.40 120.01 1a3c s VAL 104 Ca 0.50 -0.90 0.07 0.00 0.00 0.00 0.00 61.98 61.65 1a3c s VAL 104 Cb -0.31 -1.73 -0.03 0.00 0.00 0.00 0.00 36.38 34.31 1a3c s VAL 104 CO 0.40 0.53 -0.19 -0.62 0.00 0.00 0.00 175.10 175.21 1a3c s ASP 105 N 0.92 2.32 -0.07 3.32 -1.08 -0.31 -1.46 116.67 120.32 1a3c s ASP 105 Ca -0.05 -0.58 -0.25 0.00 -0.52 0.00 0.00 52.55 51.14 1a3c s ASP 105 Cb -0.15 -0.15 -0.25 0.00 -1.46 0.00 0.00 42.92 40.91 1a3c s ASP 105 CO -0.03 0.08 0.96 -2.24 0.52 0.00 0.00 175.17 174.47 1a3c h ASP 106 N 4.53 0.17 -3.31 -0.34 2.03 -1.86 -2.33 116.42 115.31 1a3c h ASP 106 Ca -0.43 -0.83 -0.39 0.00 -0.73 0.00 0.00 57.03 54.64 1a3c h ASP 106 Cb 1.17 -0.05 -0.38 0.00 -0.83 0.00 0.00 39.33 39.24 1a3c h ASP 106 CO 0.42 0.98 -0.75 0.68 -1.03 0.00 0.00 179.24 179.54 1a3c s VAL 107 N -2.90 0.12 -0.24 4.15 -7.23 -1.26 -1.57 120.40 111.47 1a3c s VAL 107 Ca -0.16 0.27 -0.20 0.00 -1.81 0.00 0.00 61.98 60.07 1a3c s VAL 107 Cb -0.00 -0.32 -0.02 0.00 0.56 0.00 0.00 36.38 36.60 1a3c s VAL 107 CO 0.73 0.21 0.60 -0.22 -0.31 0.00 0.00 175.10 176.10 1a3c s LEU 108 N 1.95 4.09 0.00 1.32 2.96 0.32 -4.93 118.68 124.38 1a3c s LEU 108 Ca 0.03 0.70 0.00 0.00 -0.22 0.00 0.00 54.13 54.64 1a3c s LEU 108 Cb -0.12 -2.81 0.00 0.00 0.50 0.00 0.00 46.19 43.76 1a3c s LEU 108 CO -0.04 -0.31 0.00 0.00 -1.32 0.00 0.00 176.35 174.68 1a3c n TYR 109 N 5.45 0.00 0.18 5.38 9.36 -1.26 -1.48 117.16 134.78 1a3c n TYR 109 Ca -0.02 0.00 0.06 0.00 3.32 0.00 0.00 57.90 61.26 1a3c n TYR 109 Cb 0.49 0.00 0.17 0.00 -0.63 0.00 0.00 39.34 39.37 1a3c n TYR 109 CO 0.00 0.00 0.00 1.79 0.22 0.00 0.00 176.86 178.87 1a3c h THR 110 N 0.00 0.64 0.00 2.97 1.35 -1.79 -3.14 112.91 112.93 1a3c h THR 110 Ca 0.00 -1.72 0.00 0.00 -0.55 0.00 0.00 66.41 64.14 1a3c h THR 110 Cb 0.00 2.18 0.00 0.00 -1.73 0.00 0.00 68.15 68.60 1a3c h THR 110 CO 0.00 0.34 0.00 0.61 -0.25 0.00 0.00 175.52 176.22 1a3c n GLY 111 N 0.91 1.04 0.18 5.82 0.00 -1.26 -0.93 105.19 110.95 1a3c n GLY 111 Ca 0.02 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.06 1a3c n GLY 111 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1a3c h ARG 112 N 3.61 0.00 -0.07 1.61 3.08 -1.93 -0.76 114.38 119.92 1a3c h ARG 112 Ca 0.00 0.00 -0.23 0.00 0.07 0.00 0.00 59.98 59.82 1a3c h ARG 112 Cb 0.00 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.06 1a3c h ARG 112 CO 0.00 0.42 -0.84 1.15 -1.07 0.00 0.00 179.97 179.63 1a3c h THR 113 N 0.00 1.30 -0.62 2.04 2.02 -1.94 -2.62 112.91 113.09 1a3c h THR 113 Ca -0.00 -2.08 0.00 0.00 0.77 0.00 0.00 66.41 65.10 1a3c h THR 113 Cb 0.76 2.24 -0.03 0.00 -1.74 0.00 0.00 68.15 69.38 1a3c h THR 113 CO 0.05 0.64 0.40 0.58 0.37 0.00 0.00 175.52 177.57 1a3c h VAL 114 N 0.36 1.16 -0.57 3.16 2.07 -1.90 0.43 116.25 120.96 1a3c h VAL 114 Ca -0.09 -0.31 0.05 0.00 0.82 0.00 0.00 66.70 67.18 1a3c h VAL 114 Cb 1.49 0.26 -0.05 0.00 -1.52 0.00 0.00 31.29 31.47 1a3c h VAL 114 CO 0.17 0.16 0.30 -0.09 0.02 0.00 0.00 177.57 178.13 1a3c h ARG 115 N 0.84 0.55 -0.84 1.57 2.43 -1.15 0.91 114.38 118.70 1a3c h ARG 115 Ca 0.23 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.34 1a3c h ARG 115 Cb -0.08 -0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 29.30 1a3c h ARG 115 CO -0.05 0.37 0.43 0.00 -1.51 0.00 0.00 179.97 179.20 1a3c h ALA 116 N 1.31 1.17 -0.45 2.80 0.00 -0.97 -1.40 119.26 121.71 1a3c h ALA 116 Ca 0.25 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 1a3c h ALA 116 Cb 0.16 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1a3c h ALA 116 CO -0.17 0.64 0.02 0.78 0.00 0.00 0.00 179.25 180.52 1a3c h GLY 117 N 1.20 0.84 1.00 0.00 0.00 0.07 -1.70 103.07 104.48 1a3c h GLY 117 Ca 0.29 -0.60 0.00 0.00 0.00 0.00 0.00 47.33 47.02 1a3c h GLY 117 CO -0.04 0.56 0.41 -0.33 0.00 0.00 0.00 176.54 177.13 1a3c h MET 118 N 0.63 0.82 -0.80 4.80 2.07 -0.57 -1.52 114.93 120.36 1a3c h MET 118 Ca 0.13 -0.05 -0.03 0.00 -2.07 0.00 0.00 59.70 57.67 1a3c h MET 118 Cb 0.47 -0.18 -0.04 0.00 -1.87 0.00 0.00 31.60 29.98 1a3c h MET 118 CO 0.02 0.55 0.37 -0.44 1.07 0.00 0.00 176.91 178.49 1a3c h ASP 119 N 0.84 1.07 -0.55 1.22 5.19 -1.06 -1.80 116.42 121.33 1a3c h ASP 119 Ca 0.23 -0.14 -0.00 0.00 -0.62 0.00 0.00 57.03 56.49 1a3c h ASP 119 Cb -0.09 -0.27 -0.03 0.00 0.18 0.00 0.00 39.33 39.12 1a3c h ASP 119 CO -0.05 0.91 0.34 0.00 -3.12 0.00 0.00 179.24 177.33 1a3c h ALA 120 N 1.20 0.70 -0.47 3.45 0.00 -0.93 -2.70 119.26 120.51 1a3c h ALA 120 Ca 0.27 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 1a3c h ALA 120 Cb 0.14 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1a3c h ALA 120 CO -0.03 0.18 0.18 -0.07 0.00 0.00 0.00 179.25 179.50 1a3c h LEU 121 N 0.74 0.66 -0.24 0.00 3.38 -0.92 -2.42 115.31 116.51 1a3c h LEU 121 Ca 0.20 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1a3c h LEU 121 Cb -0.03 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.55 1a3c h LEU 121 CO -0.04 0.66 0.00 1.33 0.09 0.00 0.00 178.44 180.48 1a3c n VAL 122 N -4.57 0.87 0.00 1.22 0.24 -0.71 -1.96 118.33 113.42 1a3c n VAL 122 Ca 0.01 0.21 -0.14 0.00 -2.04 0.00 0.00 64.34 62.38 1a3c n VAL 122 Cb 0.16 -1.01 -0.14 0.00 -1.47 0.00 0.00 33.84 31.39 1a3c n VAL 122 CO 0.00 0.00 0.00 0.44 -2.14 0.00 0.00 176.83 175.13 1a3c h ASP 123 N 0.00 0.19 0.58 -1.34 5.19 -1.19 -3.36 116.42 116.48 1a3c h ASP 123 Ca 0.00 -0.38 0.00 0.00 -0.62 0.00 0.00 57.03 56.03 1a3c h ASP 123 Cb 0.32 -0.06 0.00 0.00 0.18 0.00 0.00 39.33 39.77 1a3c h ASP 123 CO 0.00 1.34 -0.55 1.33 -3.12 0.00 0.00 179.24 178.24 1a3c n VAL 124 N -3.25 0.08 -3.78 -1.35 0.24 -0.94 -5.01 118.33 104.33 1a3c n VAL 124 Ca -0.21 -0.07 -0.00 0.00 -2.04 0.00 0.00 64.34 62.02 1a3c n VAL 124 Cb 1.05 0.16 0.01 0.00 -1.47 0.00 0.00 33.84 33.58 1a3c n VAL 124 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1a3c n GLY 125 N 1.46 0.72 2.42 7.63 0.00 -0.83 -4.83 105.19 111.75 1a3c n GLY 125 Ca 0.05 -0.98 -0.26 0.00 0.00 0.00 0.00 46.02 44.82 1a3c n GLY 125 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a3c n ARG 126 N -0.38 2.23 -1.70 1.61 1.74 -1.26 -4.28 116.66 114.62 1a3c n ARG 126 Ca 0.00 -4.40 -0.39 0.00 -0.77 0.00 0.00 57.85 52.30 1a3c n ARG 126 Cb 0.27 -2.05 0.04 0.00 -1.02 0.00 0.00 32.46 29.70 1a3c n ARG 126 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1a3c n PRO 127 N 0.84 1.45 0.20 5.56 -0.04 -1.23 -0.70 135.00 141.08 1a3c n PRO 127 Ca 0.28 0.54 0.04 0.00 -0.04 0.00 0.00 63.50 64.32 1a3c n PRO 127 Cb 0.44 -2.41 0.42 0.00 -0.04 0.00 0.00 33.50 31.91 1a3c n PRO 127 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 1a3c h SER 128 N 1.20 0.00 -4.52 3.54 0.02 -1.17 -3.43 113.55 109.20 1a3c h SER 128 Ca -0.49 0.00 0.10 0.00 -0.84 0.00 0.00 61.79 60.55 1a3c h SER 128 Cb 1.32 0.00 -0.17 0.00 0.14 0.00 0.00 62.40 63.69 1a3c h SER 128 CO 0.55 0.31 0.50 -0.94 -1.14 0.00 0.00 176.83 176.12 1a3c s SER 129 N -6.81 -0.37 -0.09 3.07 1.04 -1.23 -5.01 113.70 104.29 1a3c s SER 129 Ca -0.03 0.14 0.01 0.00 0.48 0.00 0.00 55.95 56.55 1a3c s SER 129 Cb 0.14 0.37 0.02 0.00 0.10 0.00 0.00 66.02 66.65 1a3c s SER 129 CO 0.70 -0.54 -0.10 -0.63 0.98 0.00 0.00 173.24 173.65 1a3c s ILE 130 N -2.50 1.08 0.44 -1.02 1.01 -1.26 -1.70 121.20 117.26 1a3c s ILE 130 Ca 0.03 -0.38 0.07 0.00 0.00 0.00 0.00 60.65 60.36 1a3c s ILE 130 Cb -0.01 -1.05 -0.02 0.00 0.01 0.00 0.00 42.46 41.39 1a3c s ILE 130 CO -0.05 0.36 0.31 -1.10 0.00 0.00 0.00 174.94 174.46 1a3c s GLN 131 N 1.21 2.37 -0.06 2.79 -0.21 0.40 -4.99 119.66 121.18 1a3c s GLN 131 Ca -0.04 -1.73 -0.00 0.00 0.02 0.00 0.00 55.36 53.60 1a3c s GLN 131 Cb -0.14 -2.19 0.03 0.00 1.00 0.00 0.00 33.01 31.71 1a3c s GLN 131 CO -0.03 -0.24 -0.01 -1.17 -2.12 0.00 0.00 175.29 171.71 1a3c s LEU 132 N -4.08 0.89 -0.10 2.90 2.96 -1.26 -0.63 118.68 119.35 1a3c s LEU 132 Ca 0.43 -0.09 0.02 0.00 -0.22 0.00 0.00 54.13 54.26 1a3c s LEU 132 Cb -0.01 -0.42 -0.02 0.00 0.50 0.00 0.00 46.19 46.25 1a3c s LEU 132 CO 0.25 -0.14 -0.15 0.00 -1.32 0.00 0.00 176.35 174.99 1a3c s ALA 133 N 1.54 2.58 0.03 5.97 0.00 0.28 -0.14 121.76 132.03 1a3c s ALA 133 Ca -0.02 -0.93 0.03 0.00 0.00 0.00 0.00 51.96 51.05 1a3c s ALA 133 Cb -0.13 -1.09 -0.02 0.00 0.00 0.00 0.00 23.12 21.88 1a3c s ALA 133 CO -0.03 0.35 -0.10 0.14 0.00 0.00 0.00 175.76 176.12 1a3c s VAL 134 N 0.01 0.74 0.09 0.00 -7.23 -0.20 -1.16 120.40 112.66 1a3c s VAL 134 Ca -0.05 -0.90 -0.13 0.00 -1.81 0.00 0.00 61.98 59.09 1a3c s VAL 134 Cb -0.14 -0.72 -0.19 0.00 0.56 0.00 0.00 36.38 35.88 1a3c s VAL 134 CO 0.04 -0.15 1.25 0.25 -0.31 0.00 0.00 175.10 176.19 1a3c h LEU 135 N 4.92 0.94 -7.95 1.32 5.85 -1.11 -1.06 115.31 118.22 1a3c h LEU 135 Ca -0.35 -0.68 -0.26 0.00 0.84 0.00 0.00 57.88 57.43 1a3c h LEU 135 Cb 1.19 -0.28 -0.25 0.00 0.37 0.00 0.00 40.66 41.69 1a3c h LEU 135 CO 0.43 1.48 -0.73 -0.69 -0.34 0.00 0.00 178.44 178.59 1a3c s VAL 136 N -3.56 0.29 -0.20 1.05 1.01 -0.61 -0.76 120.40 117.61 1a3c s VAL 136 Ca -0.10 -0.54 0.01 0.00 0.00 0.00 0.00 61.98 61.35 1a3c s VAL 136 Cb 0.08 -0.32 0.03 0.00 0.00 0.00 0.00 36.38 36.17 1a3c s VAL 136 CO 0.91 -0.17 -0.16 -0.62 0.00 0.00 0.00 175.10 175.06 1a3c s ASP 137 N -0.75 3.43 0.00 3.32 -1.08 -0.68 -0.52 116.67 120.39 1a3c s ASP 137 Ca -0.05 -0.84 0.20 0.00 -0.52 0.00 0.00 52.55 51.34 1a3c s ASP 137 Cb -0.05 -1.43 0.46 0.00 -1.46 0.00 0.00 42.92 40.43 1a3c s ASP 137 CO -0.00 -0.07 1.39 -2.11 0.52 0.00 0.00 175.17 174.90 1a3c n ARG 138 N 4.60 2.52 0.00 4.34 1.85 -0.55 -0.47 116.66 128.95 1a3c n ARG 138 Ca -0.18 -2.31 0.00 0.00 -1.00 0.00 0.00 57.85 54.36 1a3c n ARG 138 Cb 0.48 -1.47 0.00 0.00 -1.05 0.00 0.00 32.46 30.41 1a3c n ARG 138 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1a3c n GLY 139 N 1.33 -0.72 3.17 2.89 0.00 -1.25 -3.96 105.19 106.65 1a3c n GLY 139 Ca 0.19 -1.15 -0.18 0.00 0.00 0.00 0.00 46.02 44.88 1a3c n GLY 139 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1a3c n HIS 140 N -0.05 -2.24 -2.08 1.61 8.25 -1.26 -4.46 115.22 114.99 1a3c n HIS 140 Ca 0.00 0.82 -0.38 0.00 -0.26 0.00 0.00 57.72 57.90 1a3c n HIS 140 Cb 0.00 -4.37 0.00 0.00 1.12 0.00 0.00 29.99 26.75 1a3c n HIS 140 CO 0.00 0.00 0.00 0.50 0.64 0.00 0.00 176.34 177.48 1a3c s ARG 141 N -5.86 3.70 0.00 -0.41 6.06 -1.19 -4.05 118.95 117.20 1a3c s ARG 141 Ca 0.37 2.01 0.08 0.00 -2.50 0.00 0.00 55.73 55.69 1a3c s ARG 141 Cb -0.16 -2.50 0.12 0.00 0.06 0.00 0.00 34.95 32.46 1a3c s ARG 141 CO 0.60 -0.67 0.90 0.39 -2.50 0.00 0.00 175.30 174.02 1a3c n GLU 142 N -0.38 1.07 -4.01 5.12 1.02 -0.10 -4.97 120.64 118.39 1a3c n GLU 142 Ca 0.07 -1.29 -0.08 0.00 -0.02 0.00 0.00 57.16 55.83 1a3c n GLU 142 Cb 0.46 -1.17 -0.10 0.00 -0.02 0.00 0.00 31.44 30.61 1a3c n GLU 142 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1a3c s LEU 143 N -0.78 2.19 -1.53 -4.62 1.43 -1.18 -5.04 118.68 109.14 1a3c s LEU 143 Ca 0.12 -0.78 -0.10 0.00 -1.03 0.00 0.00 54.13 52.34 1a3c s LEU 143 Cb 0.07 0.36 -0.07 0.00 0.03 0.00 0.00 46.19 46.59 1a3c s LEU 143 CO 0.11 -0.54 2.76 -0.81 0.23 0.00 0.00 176.35 178.09 1a3c n PRO 144 N 0.49 3.40 -4.85 1.29 -0.04 -1.26 -4.87 135.00 129.16 1a3c n PRO 144 Ca -0.17 -2.19 -0.33 0.00 -0.04 0.00 0.00 63.50 60.77 1a3c n PRO 144 Cb 0.60 -2.85 -0.14 0.00 -0.04 0.00 0.00 33.50 31.07 1a3c n PRO 144 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1a3c s ILE 145 N 2.49 3.06 0.02 0.52 -1.09 -1.26 -5.13 121.20 119.81 1a3c s ILE 145 Ca 0.63 -0.70 0.01 0.00 -2.23 0.00 0.00 60.65 58.37 1a3c s ILE 145 Cb 0.17 -2.23 -0.02 0.00 -1.58 0.00 0.00 42.46 38.80 1a3c s ILE 145 CO -0.06 0.57 -0.05 0.00 -1.23 0.00 0.00 174.94 174.17 1a3c s ARG 146 N -0.35 0.39 0.28 2.79 1.70 -1.26 -5.01 118.95 117.49 1a3c s ARG 146 Ca 0.04 -0.51 -0.21 0.00 -0.47 0.00 0.00 55.73 54.58 1a3c s ARG 146 Cb -0.12 -0.19 -0.09 0.00 -0.57 0.00 0.00 34.95 33.98 1a3c s ARG 146 CO 0.02 0.03 0.80 0.00 -1.08 0.00 0.00 175.30 175.08 1a3c s ALA 147 N -0.97 3.32 -0.05 7.88 0.00 -1.26 -4.78 121.76 125.90 1a3c s ALA 147 Ca -0.08 0.27 0.13 0.00 0.00 0.00 0.00 51.96 52.28 1a3c s ALA 147 Cb -0.07 -2.94 -0.17 0.00 0.00 0.00 0.00 23.12 19.94 1a3c s ALA 147 CO -0.00 0.27 0.88 -0.44 0.00 0.00 0.00 175.76 176.47 1a3c h ASP 148 N 3.09 0.00 -3.73 0.00 3.32 -0.92 -3.46 116.42 114.72 1a3c h ASP 148 Ca -0.48 0.00 -0.45 0.00 0.02 0.00 0.00 57.03 56.13 1a3c h ASP 148 Cb 1.19 0.00 -0.32 0.00 0.22 0.00 0.00 39.33 40.42 1a3c h ASP 148 CO 0.65 0.82 -0.79 -0.31 -1.72 0.00 0.00 179.24 177.89 1a3c s TYR 149 N -2.75 1.05 -0.05 4.55 2.02 -0.79 -5.02 117.35 116.36 1a3c s TYR 149 Ca -0.02 -0.29 -0.00 0.00 -0.37 0.00 0.00 57.07 56.39 1a3c s TYR 149 Cb 0.08 -0.76 0.03 0.00 -0.40 0.00 0.00 41.96 40.91 1a3c s TYR 149 CO 0.81 -0.14 -0.00 0.42 -1.57 0.00 0.00 175.55 175.07 1a3c s ILE 150 N 0.32 0.27 -0.00 2.71 1.01 -1.26 -1.03 121.20 123.23 1a3c s ILE 150 Ca -0.06 0.09 -0.25 0.00 0.00 0.00 0.00 60.65 60.43 1a3c s ILE 150 Cb -0.10 -0.39 -0.18 0.00 0.01 0.00 0.00 42.46 41.79 1a3c s ILE 150 CO 0.01 0.20 1.31 1.23 0.00 0.00 0.00 174.94 177.68 1a3c h GLY 151 N 7.67 -0.11 -5.33 6.18 0.00 -0.52 -3.46 103.07 107.49 1a3c h GLY 151 Ca -0.32 0.04 -0.08 0.00 0.00 0.00 0.00 47.33 46.97 1a3c h GLY 151 CO 0.38 -0.04 -0.17 1.25 0.00 0.00 0.00 176.54 177.96 1a3c s LYS 152 N -4.59 0.53 0.01 4.80 2.20 0.06 -4.90 119.74 117.85 1a3c s LYS 152 Ca -0.15 0.83 -0.21 0.00 -0.36 0.00 0.00 55.97 56.08 1a3c s LYS 152 Cb 0.02 0.13 -0.05 0.00 -1.51 0.00 0.00 37.83 36.42 1a3c s LYS 152 CO 0.63 -0.12 0.61 -0.80 -0.36 0.00 0.00 175.35 175.31 1a3c s ASN 153 N 0.97 7.00 -0.25 1.43 -0.87 -1.26 -1.68 114.94 120.28 1a3c s ASN 153 Ca -0.06 1.20 -0.03 0.00 -1.57 0.00 0.00 52.86 52.40 1a3c s ASN 153 Cb -0.06 -2.37 0.08 0.00 -0.02 0.00 0.00 41.25 38.88 1a3c s ASN 153 CO -0.08 0.11 0.08 -0.51 -2.57 0.00 0.00 177.10 174.12 1a3c s ILE 154 N -0.25 0.43 0.29 0.60 2.07 0.38 -4.92 121.20 119.81 1a3c s ILE 154 Ca 0.32 -0.81 -0.29 0.00 -1.41 0.00 0.00 60.65 58.45 1a3c s ILE 154 Cb -0.19 -1.16 -0.10 0.00 0.13 0.00 0.00 42.46 41.14 1a3c s ILE 154 CO 0.18 -0.47 1.42 -2.16 -1.91 0.00 0.00 174.94 171.99 1a3c s PRO 155 N 1.87 4.26 0.11 3.50 0.04 -1.26 -4.17 135.00 139.35 1a3c s PRO 155 Ca 0.05 2.33 -0.02 0.00 0.04 0.00 0.00 61.00 63.40 1a3c s PRO 155 Cb -0.17 -3.07 -0.04 0.00 0.04 0.00 0.00 34.50 31.26 1a3c s PRO 155 CO -0.20 -0.38 0.06 0.95 0.04 0.00 0.00 177.00 177.47 1a3c s THR 156 N -0.49 0.13 0.53 1.26 -4.23 -1.25 -5.08 115.64 106.51 1a3c s THR 156 Ca 0.56 -1.81 -0.01 0.00 -1.18 0.00 0.00 61.69 59.25 1a3c s THR 156 Cb -0.42 -1.86 0.02 0.00 1.34 0.00 0.00 72.50 71.58 1a3c s THR 156 CO 0.49 -0.60 0.77 -0.94 -0.54 0.00 0.00 174.62 173.80 1a3c s SER 157 N -3.00 5.48 0.53 3.99 1.04 -1.26 -4.98 113.70 115.50 1a3c s SER 157 Ca 0.18 0.22 0.32 0.00 0.48 0.00 0.00 55.95 57.15 1a3c s SER 157 Cb 0.07 -1.23 1.31 0.00 0.10 0.00 0.00 66.02 66.27 1a3c s SER 157 CO -0.02 -1.01 1.97 0.11 0.98 0.00 0.00 173.24 175.27 1a3c h LYS 158 N 0.11 0.00 0.00 4.02 6.56 -2.01 -2.99 116.57 122.26 1a3c h LYS 158 Ca -0.44 0.00 -0.17 0.00 -1.06 0.00 0.00 60.65 58.98 1a3c h LYS 158 Cb 1.28 0.00 -0.03 0.00 -0.57 0.00 0.00 32.23 32.91 1a3c h LYS 158 CO 0.56 0.04 -1.15 0.66 -2.06 0.00 0.00 179.45 177.50 1a3c h SER 159 N 0.00 0.00 -4.15 0.86 4.64 -1.97 -3.47 113.55 109.46 1a3c h SER 159 Ca -0.00 0.00 -0.51 0.00 -0.47 0.00 0.00 61.79 60.81 1a3c h SER 159 Cb 0.54 0.00 0.09 0.00 -0.31 0.00 0.00 62.40 62.72 1a3c h SER 159 CO 0.01 0.63 0.40 -1.61 -0.87 0.00 0.00 176.83 175.39 1a3c s GLU 160 N -2.89 3.05 0.11 4.77 2.02 -1.13 -3.68 118.70 120.95 1a3c s GLU 160 Ca -0.01 1.49 0.10 0.00 0.02 0.00 0.00 54.97 56.58 1a3c s GLU 160 Cb 0.08 -1.98 -0.04 0.00 0.10 0.00 0.00 34.13 32.30 1a3c s GLU 160 CO 0.80 -1.07 -0.26 0.15 0.02 0.00 0.00 175.26 174.90 1a3c s LYS 161 N -3.72 1.54 -0.11 1.61 1.02 -0.24 -4.87 119.74 114.96 1a3c s LYS 161 Ca 0.70 -1.27 0.02 0.00 0.02 0.00 0.00 55.97 55.44 1a3c s LYS 161 Cb -0.22 -1.94 0.01 0.00 -0.52 0.00 0.00 37.83 35.16 1a3c s LYS 161 CO 0.35 0.47 -0.18 0.08 -0.92 0.00 0.00 175.35 175.15 1a3c s VAL 162 N -1.00 1.70 -0.06 3.17 1.01 -1.26 -0.57 120.40 123.39 1a3c s VAL 162 Ca 0.14 -0.77 0.02 0.00 0.00 0.00 0.00 61.98 61.37 1a3c s VAL 162 Cb -0.10 -1.52 0.01 0.00 0.00 0.00 0.00 36.38 34.77 1a3c s VAL 162 CO 0.05 0.48 -0.11 -0.04 0.00 0.00 0.00 175.10 175.48 1a3c s MET 163 N 0.86 1.57 -0.15 2.72 -1.94 -0.40 -5.00 119.30 116.96 1a3c s MET 163 Ca -0.08 -0.36 -0.13 0.00 -1.71 0.00 0.00 55.69 53.40 1a3c s MET 163 Cb -0.15 -1.33 -0.05 0.00 2.01 0.00 0.00 34.83 35.31 1a3c s MET 163 CO -0.00 0.00 0.28 0.08 -0.01 0.00 0.00 175.02 175.37 1a3c s VAL 164 N 0.73 5.30 -0.10 -6.03 1.01 -1.26 -1.28 120.40 118.78 1a3c s VAL 164 Ca -0.14 0.52 0.01 0.00 0.00 0.00 0.00 61.98 62.38 1a3c s VAL 164 Cb -0.16 -3.61 -0.02 0.00 0.00 0.00 0.00 36.38 32.59 1a3c s VAL 164 CO 0.03 0.43 -0.12 -1.10 0.00 0.00 0.00 175.10 174.34 1a3c s GLN 165 N 0.20 3.01 0.06 2.72 -0.21 0.63 -5.00 119.66 121.08 1a3c s GLN 165 Ca 0.16 -0.65 0.07 0.00 0.02 0.00 0.00 55.36 54.96 1a3c s GLN 165 Cb -0.13 -2.56 -0.03 0.00 1.00 0.00 0.00 33.01 31.29 1a3c s GLN 165 CO 0.04 0.42 -0.18 -0.51 -2.12 0.00 0.00 175.29 172.94 1a3c s LEU 166 N -0.19 2.22 0.34 2.90 1.43 -0.71 -1.45 118.68 123.21 1a3c s LEU 166 Ca 0.01 -0.56 0.08 0.00 -1.03 0.00 0.00 54.13 52.63 1a3c s LEU 166 Cb -0.13 -0.81 0.79 0.00 0.03 0.00 0.00 46.19 46.07 1a3c s LEU 166 CO 0.03 0.07 1.83 0.44 0.23 0.00 0.00 176.35 178.95 1a3c h ASP 167 N 4.60 0.70 0.10 2.29 3.32 -1.77 0.37 116.42 126.03 1a3c h ASP 167 Ca -0.42 0.06 -0.01 0.00 0.02 0.00 0.00 57.03 56.68 1a3c h ASP 167 Cb 1.17 -0.07 -0.00 0.00 0.22 0.00 0.00 39.33 40.65 1a3c h ASP 167 CO 0.42 0.31 -0.05 -0.33 -1.72 0.00 0.00 179.24 177.87 1a3c h GLU 168 N 0.72 0.00 0.00 3.56 3.07 -1.96 -2.14 114.58 117.83 1a3c h GLU 168 Ca 0.51 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 59.36 1a3c h GLU 168 Cb 0.83 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.73 1a3c h GLU 168 CO -0.27 0.05 -1.04 0.28 -1.40 0.00 0.00 179.01 176.64 1a3c n VAL 169 N -4.02 0.04 0.16 3.13 0.31 -0.63 -4.86 118.33 112.46 1a3c n VAL 169 Ca -0.03 -0.02 0.03 0.00 -0.01 0.00 0.00 64.34 64.31 1a3c n VAL 169 Cb 0.14 -0.69 0.03 0.00 -0.91 0.00 0.00 33.84 32.41 1a3c n VAL 169 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1a3c n ASP 170 N -2.34 1.64 -0.96 4.52 8.00 0.12 -5.00 116.55 122.53 1a3c n ASP 170 Ca -0.01 -1.38 -0.13 0.00 0.71 0.00 0.00 54.79 53.99 1a3c n ASP 170 Cb 0.51 -0.02 -0.05 0.00 -0.02 0.00 0.00 41.12 41.54 1a3c n ASP 170 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1a3c n GLN 171 N 0.24 -1.24 -3.51 -1.24 3.00 -0.80 -4.89 117.38 108.93 1a3c n GLN 171 Ca 0.04 0.92 -0.13 0.00 -0.01 0.00 0.00 57.00 57.81 1a3c n GLN 171 Cb 0.17 -5.11 -0.04 0.00 0.00 0.00 0.00 30.24 25.26 1a3c n GLN 171 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.06 178.27 1a3c s ASN 172 N -2.63 -0.51 -0.32 1.08 3.04 -1.25 -4.83 114.94 109.51 1a3c s ASN 172 Ca 0.00 0.36 -0.07 0.00 0.04 0.00 0.00 52.86 53.19 1a3c s ASN 172 Cb 0.00 0.46 0.02 0.00 -1.54 0.00 0.00 41.25 40.20 1a3c s ASN 172 CO 0.00 -0.61 0.10 -1.81 -3.04 0.00 0.00 177.10 171.74 1a3c s ASP 173 N -1.72 5.27 -0.10 -4.21 1.01 -1.26 -1.73 116.67 113.94 1a3c s ASP 173 Ca -0.03 -0.94 -0.30 0.00 0.71 0.00 0.00 52.55 51.99 1a3c s ASP 173 Cb -0.00 -1.89 0.11 0.00 1.01 0.00 0.00 42.92 42.14 1a3c s ASP 173 CO -0.00 -0.27 0.89 -0.22 0.21 0.00 0.00 175.17 175.77 1a3c s LEU 174 N 1.46 -0.45 -0.11 1.23 2.96 -0.53 -2.66 118.68 120.58 1a3c s LEU 174 Ca 0.01 0.41 0.02 0.00 -0.22 0.00 0.00 54.13 54.34 1a3c s LEU 174 Cb -0.18 2.08 0.01 0.00 0.50 0.00 0.00 46.19 48.59 1a3c s LEU 174 CO 0.03 -0.47 -0.18 -0.69 -1.32 0.00 0.00 176.35 173.72 1a3c s VAL 175 N -1.53 1.68 0.08 1.68 1.01 0.34 -0.27 120.40 123.40 1a3c s VAL 175 Ca -0.03 -0.76 0.04 0.00 0.00 0.00 0.00 61.98 61.22 1a3c s VAL 175 Cb -0.00 -1.51 -0.03 0.00 0.00 0.00 0.00 36.38 34.84 1a3c s VAL 175 CO 0.02 0.48 -0.11 0.00 0.00 0.00 0.00 175.10 175.49 1a3c s ALA 176 N 0.81 1.03 -0.03 5.51 0.00 -0.40 -0.91 121.76 127.76 1a3c s ALA 176 Ca -0.10 -1.06 0.02 0.00 0.00 0.00 0.00 51.96 50.82 1a3c s ALA 176 Cb -0.16 -0.00 -0.03 0.00 0.00 0.00 0.00 23.12 22.93 1a3c s ALA 176 CO 0.01 0.02 -0.05 -1.50 0.00 0.00 0.00 175.76 174.24 1a3c s ILE 177 N -1.93 3.82 0.09 0.00 2.07 0.19 -1.28 121.20 124.15 1a3c s ILE 177 Ca 0.01 -0.58 0.08 0.00 -1.41 0.00 0.00 60.65 58.74 1a3c s ILE 177 Cb -0.06 -2.62 -0.03 0.00 0.13 0.00 0.00 42.46 39.87 1a3c s ILE 177 CO 0.01 0.49 -0.20 -0.31 -1.91 0.00 0.00 174.94 173.02 1a3c s TYR 178 N -0.93 1.72 0.24 3.50 1.51 0.27 -1.16 117.35 122.49 1a3c s TYR 178 Ca 0.15 -0.41 -0.10 0.00 -1.01 0.00 0.00 57.07 55.71 1a3c s TYR 178 Cb -0.11 -0.96 -0.07 0.00 -0.11 0.00 0.00 41.96 40.71 1a3c s TYR 178 CO 0.05 0.16 0.56 -1.21 -1.11 0.00 0.00 175.55 174.00 1a3c s GLU 179 N -1.72 3.80 0.00 -0.62 0.41 -1.26 -1.08 118.70 118.23 1a3c s GLU 179 Ca 0.06 0.27 0.00 0.00 -0.41 0.00 0.00 54.97 54.89 1a3c s GLU 179 Cb -0.10 -2.64 0.00 0.00 -1.78 0.00 0.00 34.13 29.62 1a3c s GLU 179 CO 0.03 0.30 0.26 0.27 -0.49 0.00 0.00 175.26 175.64