#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1buy s PRO 2 N 0.00 -1.88 0.00 0.00 0.05 -1.26 -4.84 135.00 127.07 1buy s PRO 2 Ca 0.00 -0.11 0.00 0.00 0.05 0.00 0.00 61.00 60.94 1buy s PRO 2 Cb 0.00 -1.52 0.00 0.00 0.05 0.00 0.00 34.50 33.03 1buy s PRO 2 CO 0.00 -4.13 0.84 -0.35 0.05 0.00 0.00 177.00 173.41 1buy n PRO 3 N -5.05 0.63 -0.16 0.56 -0.04 -1.26 -4.95 135.00 124.73 1buy n PRO 3 Ca 0.14 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.63 1buy n PRO 3 Cb 0.60 -1.19 -0.01 0.00 -0.04 0.00 0.00 33.50 32.87 1buy n PRO 3 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 1buy n ARG 4 N 1.02 -0.32 0.00 0.54 0.63 -1.26 -3.22 116.66 114.06 1buy n ARG 4 Ca 0.00 0.21 0.00 0.00 -0.92 0.00 0.00 57.85 57.14 1buy n ARG 4 Cb 0.31 -0.38 0.00 0.00 0.45 0.00 0.00 32.46 32.84 1buy n ARG 4 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 1buy n LEU 5 N 0.00 0.00 0.00 6.15 4.32 -1.26 -4.65 117.00 121.56 1buy n LEU 5 Ca 0.00 0.00 0.06 0.00 -0.02 0.00 0.00 56.01 56.05 1buy n LEU 5 Cb 0.07 0.00 0.34 0.00 -1.62 0.00 0.00 43.42 42.21 1buy n LEU 5 CO 0.00 0.00 0.57 -0.38 -1.22 0.00 0.00 177.39 176.36 1buy n ILE 6 N 0.00 0.00 1.51 -0.08 -0.00 -1.26 -2.96 119.36 116.56 1buy n ILE 6 Ca 0.00 0.00 0.03 0.00 -0.00 0.00 0.00 62.75 62.78 1buy n ILE 6 Cb 0.00 -0.51 0.21 0.00 -0.00 0.00 0.00 39.64 39.34 1buy n ILE 6 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1buy s ASP 8 N -1.46 6.29 0.16 0.00 -1.08 -1.16 -4.84 116.67 114.58 1buy s ASP 8 Ca 0.10 -0.88 -0.15 0.00 -0.52 0.00 0.00 52.55 51.10 1buy s ASP 8 Cb 0.05 -2.54 0.04 0.00 -1.46 0.00 0.00 42.92 39.01 1buy s ASP 8 CO 0.08 -1.67 1.82 0.28 0.52 0.00 0.00 175.17 176.21 1buy h SER 9 N 9.86 0.50 -1.00 -0.34 0.02 -1.86 -2.02 113.55 118.72 1buy h SER 9 Ca -0.11 -0.01 0.35 0.00 -0.84 0.00 0.00 61.79 61.18 1buy h SER 9 Cb 1.04 -0.12 -0.16 0.00 0.14 0.00 0.00 62.40 63.30 1buy h SER 9 CO 1.31 0.36 0.53 0.03 -1.14 0.00 0.00 176.83 177.91 1buy h ARG 10 N 0.60 0.18 0.48 3.45 3.08 -1.96 0.39 114.38 120.60 1buy h ARG 10 Ca 0.17 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.18 1buy h ARG 10 Cb -0.05 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 29.96 1buy h ARG 10 CO -0.04 0.12 -0.23 0.28 -1.07 0.00 0.00 179.97 179.03 1buy h VAL 11 N 0.19 0.00 -0.47 2.04 2.07 -1.75 -2.28 116.25 116.04 1buy h VAL 11 Ca 0.77 -0.51 -0.00 0.00 0.82 0.00 0.00 66.70 67.78 1buy h VAL 11 Cb 1.85 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 31.60 1buy h VAL 11 CO -0.68 0.00 0.29 0.17 0.02 0.00 0.00 177.57 177.37 1buy h LEU 12 N -1.15 0.56 -0.50 2.57 8.10 -1.15 -1.90 115.31 121.83 1buy h LEU 12 Ca -0.07 -0.04 0.08 0.00 0.11 0.00 0.00 57.88 57.96 1buy h LEU 12 Cb 0.49 -0.14 -0.07 0.00 -0.44 0.00 0.00 40.66 40.50 1buy h LEU 12 CO 0.11 0.44 0.12 1.05 -4.11 0.00 0.00 178.44 176.05 1buy h GLU 13 N 0.63 0.26 -0.83 0.17 4.11 -0.39 0.64 114.58 119.16 1buy h GLU 13 Ca 0.17 -0.02 0.14 0.00 0.07 0.00 0.00 59.36 59.73 1buy h GLU 13 Cb -0.03 -0.06 -0.06 0.00 0.50 0.00 0.00 28.75 29.10 1buy h GLU 13 CO -0.03 0.17 0.55 -0.09 0.07 0.00 0.00 179.01 179.67 1buy h ARG 14 N 0.26 0.56 -0.71 1.06 2.43 -0.75 0.11 114.38 117.36 1buy h ARG 14 Ca 0.25 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.39 1buy h ARG 14 Cb 0.32 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 29.71 1buy h ARG 14 CO -0.31 0.37 0.45 1.88 -1.51 0.00 0.00 179.97 180.85 1buy h TYR 15 N 0.58 0.92 -0.28 2.20 0.05 0.86 -0.33 116.97 120.96 1buy h TYR 15 Ca 0.42 0.01 -0.02 0.00 0.05 0.00 0.00 58.73 59.19 1buy h TYR 15 Cb 0.77 -0.31 -0.01 0.00 1.01 0.00 0.00 36.73 38.19 1buy h TYR 15 CO -0.00 0.60 0.11 -0.07 -1.05 0.00 0.00 178.16 177.75 1buy h LEU 16 N 0.97 0.39 -0.36 3.88 -0.00 -0.51 0.18 115.31 119.85 1buy h LEU 16 Ca 0.26 -0.17 0.05 0.00 -0.00 0.00 0.00 57.88 58.02 1buy h LEU 16 Cb -0.07 -0.10 -0.05 0.00 -0.00 0.00 0.00 40.66 40.44 1buy h LEU 16 CO -0.05 0.45 0.09 -0.07 -0.00 0.00 0.00 178.44 178.85 1buy h LEU 17 N 0.31 0.04 0.45 1.67 -0.00 -0.80 -0.26 115.31 116.71 1buy h LEU 17 Ca 0.09 0.05 -0.02 0.00 -0.00 0.00 0.00 57.88 58.01 1buy h LEU 17 Cb 0.18 0.07 0.00 0.00 -0.00 0.00 0.00 40.66 40.91 1buy h LEU 17 CO -0.01 0.06 -0.21 -0.33 -0.00 0.00 0.00 178.44 177.95 1buy h GLU 18 N 0.21 -0.58 -0.45 1.13 4.39 -0.88 -2.65 114.58 115.76 1buy h GLU 18 Ca 0.17 0.04 0.13 0.00 0.34 0.00 0.00 59.36 60.04 1buy h GLU 18 Cb 0.18 0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 28.95 1buy h GLU 18 CO -0.21 -0.39 0.75 0.00 -1.16 0.00 0.00 179.01 178.01 1buy h ALA 19 N -1.59 2.20 0.30 3.43 0.00 -0.86 0.12 119.26 122.87 1buy h ALA 19 Ca -0.06 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1buy h ALA 19 Cb 0.46 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1buy h ALA 19 CO 0.10 -0.99 -0.14 -0.22 0.00 0.00 0.00 179.25 178.00 1buy h LYS 20 N 0.00 -0.39 -0.68 0.00 3.64 -0.72 0.79 116.57 119.21 1buy h LYS 20 Ca 0.21 0.03 0.14 0.00 -1.27 0.00 0.00 60.65 59.76 1buy h LYS 20 Cb 1.72 0.09 -0.10 0.00 -0.41 0.00 0.00 32.23 33.53 1buy h LYS 20 CO -0.00 -0.26 0.14 0.93 -2.27 0.00 0.00 179.45 177.99 1buy h GLU 21 N -0.51 0.25 0.10 1.90 4.39 -0.51 -1.20 114.58 119.00 1buy h GLU 21 Ca -0.04 -0.01 0.02 0.00 0.34 0.00 0.00 59.36 59.66 1buy h GLU 21 Cb 0.31 -0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 28.87 1buy h GLU 21 CO 0.07 0.16 -0.24 0.00 -1.16 0.00 0.00 179.01 177.84 1buy h ALA 22 N 1.56 -0.40 -0.55 3.43 0.00 -1.04 -2.82 119.26 119.45 1buy h ALA 22 Ca 0.37 -0.03 0.10 0.00 0.00 0.00 0.00 54.91 55.35 1buy h ALA 22 Cb 0.61 0.39 -0.08 0.00 0.00 0.00 0.00 17.79 18.71 1buy h ALA 22 CO -0.48 -0.77 0.11 0.93 0.00 0.00 0.00 179.25 179.04 1buy h GLU 23 N -0.44 0.24 -0.89 0.00 5.08 0.32 -2.63 114.58 116.26 1buy h GLU 23 Ca 0.03 -0.01 0.08 0.00 -1.00 0.00 0.00 59.36 58.46 1buy h GLU 23 Cb 0.47 -0.05 -0.11 0.00 0.50 0.00 0.00 28.75 29.56 1buy h GLU 23 CO -0.15 0.16 -0.53 -0.22 -1.00 0.00 0.00 179.01 177.27 1buy h LYS 24 N 0.25 -0.00 -0.77 2.33 3.11 -1.06 0.22 116.57 120.65 1buy h LYS 24 Ca 0.28 0.00 -0.02 0.00 -2.81 0.00 0.00 60.65 58.10 1buy h LYS 24 Cb 0.40 0.00 -0.04 0.00 -1.00 0.00 0.00 32.23 31.59 1buy h LYS 24 CO -0.36 -0.00 0.41 -0.84 -2.81 0.00 0.00 179.45 175.84 1buy h ILE 25 N -0.00 1.23 0.00 2.00 3.07 -1.53 -0.32 117.51 121.96 1buy h ILE 25 Ca 0.14 -0.59 0.00 0.00 1.55 0.00 0.00 64.86 65.96 1buy h ILE 25 Cb 0.37 0.20 0.00 0.00 -0.27 0.00 0.00 36.82 37.12 1buy h ILE 25 CO -0.84 0.26 0.00 0.35 -1.05 0.00 0.00 178.15 176.88 1buy n THR 26 N -4.35 0.30 -1.74 0.16 -2.24 0.57 -1.55 114.28 105.44 1buy n THR 26 Ca 0.08 0.08 0.05 0.00 -2.27 0.00 0.00 64.05 61.99 1buy n THR 26 Cb 0.11 -0.75 0.10 0.00 -2.10 0.00 0.00 70.33 67.68 1buy n THR 26 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1buy n THR 27 N -1.22 1.10 0.00 4.28 -2.24 0.05 -4.60 114.28 111.66 1buy n THR 27 Ca 0.11 -1.69 0.00 0.00 -2.27 0.00 0.00 64.05 60.20 1buy n THR 27 Cb 0.14 0.21 0.00 0.00 -2.10 0.00 0.00 70.33 68.57 1buy n THR 27 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1buy n GLY 28 N -0.59 0.00 0.31 3.38 0.00 -0.21 -4.96 105.19 103.13 1buy n GLY 28 Ca 0.11 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.10 1buy n GLY 28 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1buy n ALA 30 N -3.28 0.40 0.04 0.00 0.00 -1.26 -4.98 120.51 111.43 1buy n ALA 30 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1buy n ALA 30 Cb 0.06 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.51 1buy n ALA 30 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1buy n GLU 31 N -0.27 0.00 -0.27 0.00 1.02 -1.26 -5.10 120.64 114.76 1buy n GLU 31 Ca 0.00 0.00 -0.11 0.00 -0.02 0.00 0.00 57.16 57.03 1buy n GLU 31 Cb 0.00 0.00 0.10 0.00 -0.02 0.00 0.00 31.44 31.52 1buy n GLU 31 CO 0.00 0.00 0.00 1.58 1.18 0.00 0.00 177.13 179.89 1buy n HIS 32 N -2.77 -3.07 -1.73 -0.32 -0.00 -1.26 -3.75 115.22 102.33 1buy n HIS 32 Ca 0.00 -0.34 -0.07 0.00 0.46 0.00 0.00 57.72 57.77 1buy n HIS 32 Cb 0.00 -0.44 -0.02 0.00 -0.12 0.00 0.00 29.99 29.41 1buy n HIS 32 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1buy n SER 34 N -0.59 -1.49 -3.22 0.00 7.64 -1.25 -2.68 113.62 112.04 1buy n SER 34 Ca -0.08 -2.14 0.00 0.00 1.01 0.00 0.00 58.87 57.66 1buy n SER 34 Cb 0.37 0.82 0.00 0.00 -1.01 0.00 0.00 64.21 64.39 1buy n SER 34 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1buy n LEU 35 N -0.86 0.00 -1.92 -3.43 -0.00 -1.26 -4.86 117.00 104.67 1buy n LEU 35 Ca -0.11 0.00 -0.00 0.00 -0.00 0.00 0.00 56.01 55.90 1buy n LEU 35 Cb 0.80 0.00 0.05 0.00 -0.00 0.00 0.00 43.42 44.28 1buy n LEU 35 CO -0.10 0.00 0.08 0.59 -0.00 0.00 0.00 177.39 177.96 1buy n ASN 36 N 0.00 1.69 -3.32 1.45 4.13 -1.24 -4.53 115.26 113.43 1buy n ASN 36 Ca 0.00 -2.42 0.00 0.00 1.68 0.00 0.00 54.58 53.84 1buy n ASN 36 Cb 0.00 -0.40 0.00 0.00 -1.54 0.00 0.00 39.78 37.84 1buy n ASN 36 CO 0.00 0.00 0.00 -1.84 0.28 0.00 0.00 177.26 175.70 1buy n GLU 37 N -0.21 2.18 -2.70 3.52 0.28 -1.25 -4.95 120.64 117.51 1buy n GLU 37 Ca 0.12 0.00 -0.07 0.00 -0.16 0.00 0.00 57.16 57.05 1buy n GLU 37 Cb 0.95 0.00 0.09 0.00 1.43 0.00 0.00 31.44 33.91 1buy n GLU 37 CO 0.00 0.00 0.00 0.36 -0.16 0.00 0.00 177.13 177.33 1buy n LYS 38 N 0.00 0.91 -3.24 3.44 2.85 -0.67 -4.08 118.16 117.37 1buy n LYS 38 Ca 0.00 -1.59 -0.39 0.00 -1.05 0.00 0.00 58.31 55.28 1buy n LYS 38 Cb 0.00 -0.31 -0.06 0.00 -0.65 0.00 0.00 35.03 34.01 1buy n LYS 38 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 177.40 177.77 1buy s ILE 39 N 0.18 4.91 1.11 0.58 1.01 0.15 -4.26 121.20 124.89 1buy s ILE 39 Ca 0.19 1.19 -0.14 0.00 0.00 0.00 0.00 60.65 61.89 1buy s ILE 39 Cb 0.31 -3.90 0.25 0.00 0.01 0.00 0.00 42.46 39.13 1buy s ILE 39 CO -0.08 0.44 1.06 -0.89 0.00 0.00 0.00 174.94 175.47 1buy s THR 40 N -0.32 1.92 -0.12 2.92 2.01 -1.26 0.16 115.64 120.95 1buy s THR 40 Ca 0.30 0.00 -0.07 0.00 0.31 0.00 0.00 61.69 62.23 1buy s THR 40 Cb -0.18 -2.32 0.05 0.00 0.01 0.00 0.00 72.50 70.06 1buy s THR 40 CO 0.17 0.00 0.30 0.68 -0.69 0.00 0.00 174.62 175.07 1buy s VAL 41 N -2.75 -0.03 0.62 3.82 -7.23 0.85 -4.71 120.40 110.97 1buy s VAL 41 Ca 0.67 0.11 -0.18 0.00 -1.81 0.00 0.00 61.98 60.77 1buy s VAL 41 Cb -0.20 -0.45 -0.03 0.00 0.56 0.00 0.00 36.38 36.27 1buy s VAL 41 CO 0.60 0.04 1.10 -0.81 -0.31 0.00 0.00 175.10 175.73 1buy n PRO 42 N 4.00 0.99 -3.31 4.82 -0.04 -1.26 -3.35 135.00 136.85 1buy n PRO 42 Ca -0.23 0.39 -0.44 0.00 -0.04 0.00 0.00 63.50 63.18 1buy n PRO 42 Cb 0.54 -2.32 -0.08 0.00 -0.04 0.00 0.00 33.50 31.61 1buy n PRO 42 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1buy s ASP 43 N -1.30 6.18 0.00 3.54 1.01 -1.26 -4.91 116.67 119.93 1buy s ASP 43 Ca 0.79 -0.99 0.23 0.00 0.71 0.00 0.00 52.55 53.28 1buy s ASP 43 Cb -0.40 -2.22 1.25 0.00 1.01 0.00 0.00 42.92 42.56 1buy s ASP 43 CO 0.44 -0.68 1.76 0.35 0.21 0.00 0.00 175.17 177.25 1buy n THR 44 N 5.38 0.18 0.00 -1.27 -2.24 -1.26 -3.87 114.28 111.20 1buy n THR 44 Ca -0.09 0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.73 1buy n THR 44 Cb 0.45 -0.67 0.00 0.00 -2.10 0.00 0.00 70.33 68.01 1buy n THR 44 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1buy n LYS 45 N -1.18 0.00 -0.85 -0.78 5.02 -1.26 -4.79 118.16 114.32 1buy n LYS 45 Ca 0.13 0.21 -0.34 0.00 -2.02 0.00 0.00 58.31 56.29 1buy n LYS 45 Cb 0.15 -1.53 0.10 0.00 -0.02 0.00 0.00 35.03 33.72 1buy n LYS 45 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 1buy n VAL 46 N -1.17 0.00 -4.02 -0.18 0.24 -1.25 -5.03 118.33 106.92 1buy n VAL 46 Ca 0.00 -0.27 -0.09 0.00 -2.04 0.00 0.00 64.34 61.94 1buy n VAL 46 Cb 0.03 -0.45 -0.09 0.00 -1.47 0.00 0.00 33.84 31.87 1buy n VAL 46 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1buy s ASN 47 N -1.74 0.26 0.51 -1.34 6.03 -1.26 -5.03 114.94 112.37 1buy s ASN 47 Ca 0.52 -0.93 0.23 0.00 -1.03 0.00 0.00 52.86 51.65 1buy s ASN 47 Cb -0.20 0.31 1.33 0.00 -3.03 0.00 0.00 41.25 39.65 1buy s ASN 47 CO 0.72 -0.72 1.98 -0.26 -2.03 0.00 0.00 177.10 176.78 1buy h PHE 48 N 2.85 0.10 0.18 1.54 -1.00 -1.97 -0.68 116.94 117.97 1buy h PHE 48 Ca -0.34 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.44 1buy h PHE 48 Cb 1.19 -0.03 0.00 0.00 3.61 0.00 0.00 35.95 40.72 1buy h PHE 48 CO 0.45 0.04 -0.09 -0.92 -1.61 0.00 0.00 178.31 176.19 1buy h TYR 49 N 0.09 -0.22 0.00 -0.55 3.20 -2.00 -1.21 116.97 116.28 1buy h TYR 49 Ca 0.28 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.15 1buy h TYR 49 Cb 1.00 0.07 0.00 0.00 1.54 0.00 0.00 36.73 39.34 1buy h TYR 49 CO -0.00 -0.14 0.00 0.00 -1.64 0.00 0.00 178.16 176.38 1buy n ALA 50 N -2.15 1.58 0.01 1.82 0.00 -1.15 -2.17 120.51 118.45 1buy n ALA 50 Ca -0.03 -0.04 -0.11 0.00 0.00 0.00 0.00 53.44 53.26 1buy n ALA 50 Cb 0.09 -1.19 -0.14 0.00 0.00 0.00 0.00 19.45 18.22 1buy n ALA 50 CO 0.00 0.00 0.00 2.35 0.00 0.00 0.00 177.50 179.85 1buy h TRP 51 N 0.00 0.13 0.00 0.00 2.91 -1.03 -3.34 115.95 114.61 1buy h TRP 51 Ca 0.00 -0.09 -0.00 0.00 1.13 0.00 0.00 58.89 59.93 1buy h TRP 51 Cb 0.18 -0.01 -0.00 0.00 -0.51 0.00 0.00 29.16 28.83 1buy h TRP 51 CO 0.00 1.14 -0.01 1.57 -1.03 0.00 0.00 178.44 180.11 1buy h LYS 52 N 0.02 0.00 -1.77 2.65 2.10 -0.71 -2.89 116.57 115.97 1buy h LYS 52 Ca -0.24 0.00 -0.18 0.00 -2.00 0.00 0.00 60.65 58.24 1buy h LYS 52 Cb 1.97 0.00 -0.07 0.00 -0.90 0.00 0.00 32.23 33.22 1buy h LYS 52 CO 0.10 0.01 0.20 0.54 -2.00 0.00 0.00 179.45 178.30 1buy n ARG 53 N -3.17 1.46 -3.17 0.07 3.00 -1.25 -4.35 116.66 109.25 1buy n ARG 53 Ca -0.02 -0.86 0.03 0.00 -0.01 0.00 0.00 57.85 56.98 1buy n ARG 53 Cb 0.12 -1.36 -0.01 0.00 0.00 0.00 0.00 32.46 31.21 1buy n ARG 53 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.63 175.99 1buy s MET 54 N -0.91 0.54 0.85 5.56 -1.94 -1.09 -5.02 119.30 117.30 1buy s MET 54 Ca 0.19 0.66 -0.10 0.00 -1.71 0.00 0.00 55.69 54.72 1buy s MET 54 Cb 0.14 0.28 0.10 0.00 2.01 0.00 0.00 34.83 37.36 1buy s MET 54 CO -0.01 -0.90 1.11 -1.21 -0.01 0.00 0.00 175.02 174.00 1buy s GLU 55 N 2.81 1.59 0.16 2.03 2.02 -1.26 -4.24 118.70 121.81 1buy s GLU 55 Ca 0.13 1.31 -0.14 0.00 0.02 0.00 0.00 54.97 56.29 1buy s GLU 55 Cb -0.12 -1.81 0.15 0.00 0.10 0.00 0.00 34.13 32.45 1buy s GLU 55 CO -0.24 -2.15 1.15 0.28 0.02 0.00 0.00 175.26 174.31 1buy n VAL 56 N -3.89 -0.41 0.14 2.63 0.31 -1.26 -0.35 118.33 115.50 1buy n VAL 56 Ca 0.10 1.75 -0.08 0.00 -0.01 0.00 0.00 64.34 66.10 1buy n VAL 56 Cb 0.53 -2.29 -0.04 0.00 -0.91 0.00 0.00 33.84 31.12 1buy n VAL 56 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 1buy h GLY 57 N 0.00 -0.91 0.24 2.92 0.00 -1.89 -2.59 103.07 100.85 1buy h GLY 57 Ca 0.24 0.40 0.17 0.00 0.00 0.00 0.00 47.33 48.14 1buy h GLY 57 CO -0.73 -0.30 0.62 1.46 0.00 0.00 0.00 176.54 177.58 1buy h GLN 58 N -0.45 0.82 -0.34 4.80 1.08 -1.64 -1.56 115.11 117.82 1buy h GLN 58 Ca -0.03 -0.05 0.07 0.00 -1.45 0.00 0.00 58.65 57.20 1buy h GLN 58 Cb 0.38 -0.18 -0.08 0.00 -0.05 0.00 0.00 27.48 27.55 1buy h GLN 58 CO -0.01 0.54 -0.25 0.37 -0.95 0.00 0.00 178.83 178.53 1buy h GLN 59 N 0.84 -0.20 -0.63 1.46 -0.00 -0.53 0.18 115.11 116.24 1buy h GLN 59 Ca 0.55 0.01 0.04 0.00 -0.00 0.00 0.00 58.65 59.25 1buy h GLN 59 Cb 0.76 0.05 -0.04 0.00 0.00 0.00 0.00 27.48 28.24 1buy h GLN 59 CO -0.34 -0.13 0.37 0.00 0.00 0.00 0.00 178.83 178.72 1buy h ALA 60 N 0.92 0.82 -0.57 3.38 0.00 -0.90 -0.40 119.26 122.51 1buy h ALA 60 Ca 0.17 -0.00 0.06 0.00 0.00 0.00 0.00 54.91 55.14 1buy h ALA 60 Cb 0.47 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 1buy h ALA 60 CO -0.46 0.09 0.38 0.28 0.00 0.00 0.00 179.25 179.54 1buy h VAL 61 N 0.71 0.98 0.19 0.00 2.07 -0.44 -1.67 116.25 118.10 1buy h VAL 61 Ca 0.26 -0.18 -0.01 0.00 0.82 0.00 0.00 66.70 67.59 1buy h VAL 61 Cb 0.08 0.41 0.00 0.00 -1.52 0.00 0.00 31.29 30.26 1buy h VAL 61 CO -0.13 0.10 -0.09 -0.08 0.02 0.00 0.00 177.57 177.38 1buy h GLU 62 N 0.53 -0.25 -0.92 1.57 4.57 0.88 -2.49 114.58 118.47 1buy h GLU 62 Ca 0.25 0.02 0.10 0.00 -1.18 0.00 0.00 59.36 58.55 1buy h GLU 62 Cb 0.30 0.06 -0.07 0.00 -0.16 0.00 0.00 28.75 28.88 1buy h GLU 62 CO -0.07 0.02 0.59 0.28 -1.18 0.00 0.00 179.01 178.65 1buy h VAL 63 N -0.51 0.96 0.00 0.32 2.07 -1.02 0.12 116.25 118.19 1buy h VAL 63 Ca -0.03 -0.31 -0.00 0.00 0.82 0.00 0.00 66.70 67.18 1buy h VAL 63 Cb 0.39 -0.03 -0.00 0.00 -1.52 0.00 0.00 31.29 30.13 1buy h VAL 63 CO 0.04 0.17 -0.02 -0.50 0.02 0.00 0.00 177.57 177.28 1buy h TRP 64 N 0.91 0.00 0.10 1.57 4.06 -1.07 -0.76 115.95 120.76 1buy h TRP 64 Ca 0.43 0.00 -0.28 0.00 2.06 0.00 0.00 58.89 61.10 1buy h TRP 64 Cb 0.42 0.00 0.03 0.00 -1.00 0.00 0.00 29.16 28.61 1buy h TRP 64 CO -0.00 0.02 -1.15 1.96 -3.56 0.00 0.00 178.44 175.71 1buy h GLN 65 N 0.00 0.60 0.22 0.49 4.20 -0.32 -2.90 115.11 117.40 1buy h GLN 65 Ca -0.00 -0.78 -0.00 0.00 0.06 0.00 0.00 58.65 57.92 1buy h GLN 65 Cb 0.05 0.25 -0.01 0.00 0.30 0.00 0.00 27.48 28.08 1buy h GLN 65 CO 0.00 1.35 -0.16 0.78 -0.67 0.00 0.00 178.83 180.13 1buy h GLY 66 N 0.22 -0.39 1.92 3.46 0.00 -0.81 -1.37 103.07 106.10 1buy h GLY 66 Ca -0.17 0.18 -0.07 0.00 0.00 0.00 0.00 47.33 47.27 1buy h GLY 66 CO 0.22 -0.16 -0.28 0.17 0.00 0.00 0.00 176.54 176.49 1buy h LEU 67 N -0.39 0.09 -1.24 3.11 -0.00 -1.31 -2.15 115.31 113.42 1buy h LEU 67 Ca -0.01 -0.03 -0.07 0.00 -0.00 0.00 0.00 57.88 57.77 1buy h LEU 67 Cb 0.34 -0.03 -0.01 0.00 -0.00 0.00 0.00 40.66 40.96 1buy h LEU 67 CO -0.00 0.38 -0.23 0.00 -0.00 0.00 0.00 178.44 178.59 1buy h ALA 68 N 1.63 1.37 0.52 0.17 0.00 -1.28 0.18 119.26 121.85 1buy h ALA 68 Ca 0.01 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.62 1buy h ALA 68 Cb 0.55 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.26 1buy h ALA 68 CO 0.04 0.44 -0.25 1.25 0.00 0.00 0.00 179.25 180.73 1buy h LEU 69 N 0.21 -0.59 -1.55 0.00 7.12 -0.61 -2.93 115.31 116.96 1buy h LEU 69 Ca 0.04 -0.06 0.09 0.00 0.13 0.00 0.00 57.88 58.07 1buy h LEU 69 Cb 0.53 0.15 -0.04 0.00 -0.53 0.00 0.00 40.66 40.77 1buy h LEU 69 CO 0.04 -0.23 0.42 -0.07 -0.13 0.00 0.00 178.44 178.47 1buy h LEU 70 N -0.99 0.46 -0.00 2.25 3.38 -1.32 -1.66 115.31 117.43 1buy h LEU 70 Ca -0.07 0.01 0.03 0.00 0.09 0.00 0.00 57.88 57.94 1buy h LEU 70 Cb 0.62 -0.09 -0.06 0.00 0.09 0.00 0.00 40.66 41.22 1buy h LEU 70 CO 0.12 0.28 -0.45 -1.28 0.09 0.00 0.00 178.44 177.20 1buy h SER 71 N 0.52 -1.38 0.24 -0.43 0.87 -0.45 -0.03 113.55 112.88 1buy h SER 71 Ca 0.29 0.16 -0.01 0.00 -1.23 0.00 0.00 61.79 61.00 1buy h SER 71 Cb 0.45 0.54 0.00 0.00 -0.44 0.00 0.00 62.40 62.95 1buy h SER 71 CO -0.09 -0.48 -0.12 -0.33 -0.53 0.00 0.00 176.83 175.29 1buy h GLU 72 N -0.60 -0.31 -0.28 2.24 4.39 -1.29 0.26 114.58 118.98 1buy h GLU 72 Ca 0.04 0.02 0.06 0.00 0.34 0.00 0.00 59.36 59.82 1buy h GLU 72 Cb 0.68 0.07 -0.06 0.00 -0.10 0.00 0.00 28.75 29.34 1buy h GLU 72 CO -0.33 -0.20 -0.13 0.00 -1.16 0.00 0.00 179.01 177.20 1buy h ALA 73 N 0.41 0.10 -0.30 3.43 0.00 -1.18 -1.03 119.26 120.70 1buy h ALA 73 Ca -0.03 0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 1buy h ALA 73 Cb 0.26 0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 1buy h ALA 73 CO 0.05 -0.52 -0.12 0.28 0.00 0.00 0.00 179.25 178.94 1buy h VAL 74 N -0.08 1.23 0.36 0.00 2.07 -0.97 -0.89 116.25 117.96 1buy h VAL 74 Ca 0.15 -1.03 -0.02 0.00 0.82 0.00 0.00 66.70 66.62 1buy h VAL 74 Cb 0.30 1.14 0.00 0.00 -1.52 0.00 0.00 31.29 31.22 1buy h VAL 74 CO -0.33 0.34 -0.17 0.25 0.02 0.00 0.00 177.57 177.67 1buy h LEU 75 N 0.47 -0.41 -0.20 2.57 5.85 0.23 -1.75 115.31 122.07 1buy h LEU 75 Ca 0.09 -0.08 0.02 0.00 0.84 0.00 0.00 57.88 58.75 1buy h LEU 75 Cb 0.50 0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.62 1buy h LEU 75 CO 0.03 -0.17 0.08 0.03 -0.34 0.00 0.00 178.44 178.07 1buy h ARG 76 N -0.64 0.18 -0.99 1.25 3.08 -1.18 -1.11 114.38 114.97 1buy h ARG 76 Ca -0.05 -0.01 0.34 0.00 0.07 0.00 0.00 59.98 60.33 1buy h ARG 76 Cb 0.46 -0.04 -0.16 0.00 0.08 0.00 0.00 29.97 30.32 1buy h ARG 76 CO 0.08 0.12 0.52 0.78 -1.07 0.00 0.00 179.97 180.40 1buy h GLY 77 N 0.18 2.06 0.58 0.04 0.00 -0.93 0.39 103.07 105.39 1buy h GLY 77 Ca 0.08 -0.19 -0.04 0.00 0.00 0.00 0.00 47.33 47.19 1buy h GLY 77 CO -0.08 -0.57 -0.11 0.06 0.00 0.00 0.00 176.54 175.84 1buy h GLN 78 N 0.22 0.18 0.77 4.80 3.07 -0.31 -3.36 115.11 120.48 1buy h GLN 78 Ca 0.75 -0.11 -0.04 0.00 0.09 0.00 0.00 58.65 59.34 1buy h GLN 78 Cb 1.78 0.01 0.00 0.00 0.08 0.00 0.00 27.48 29.36 1buy h GLN 78 CO -0.66 0.69 -0.44 0.00 0.09 0.00 0.00 178.83 178.50 1buy h ALA 79 N 0.49 -1.27 -0.30 0.06 0.00 0.39 -2.39 119.26 116.24 1buy h ALA 79 Ca 0.00 -0.24 0.03 0.00 0.00 0.00 0.00 54.91 54.71 1buy h ALA 79 Cb 0.68 0.54 -0.05 0.00 0.00 0.00 0.00 17.79 18.96 1buy h ALA 79 CO 0.02 -1.21 -0.32 1.37 0.00 0.00 0.00 179.25 179.11 1buy h LEU 80 N -1.13 -1.10 -2.09 0.00 -0.00 -0.92 0.14 115.31 110.21 1buy h LEU 80 Ca -0.10 0.15 -0.01 0.00 -0.00 0.00 0.00 57.88 57.92 1buy h LEU 80 Cb 0.89 0.46 -0.00 0.00 -0.00 0.00 0.00 40.66 42.01 1buy h LEU 80 CO 0.13 -0.21 -0.03 0.17 -0.00 0.00 0.00 178.44 178.50 1buy h LEU 81 N -0.19 0.00 -0.04 0.17 8.10 -1.70 0.13 115.31 121.78 1buy h LEU 81 Ca 0.05 0.00 -0.01 0.00 0.11 0.00 0.00 57.88 58.03 1buy h LEU 81 Cb 0.32 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 40.54 1buy h LEU 81 CO -0.38 0.03 -0.01 0.58 -4.11 0.00 0.00 178.44 174.54 1buy h VAL 82 N 0.00 1.31 -0.02 0.15 2.07 -0.24 -3.34 116.25 116.19 1buy h VAL 82 Ca -0.00 -0.96 -0.06 0.00 0.82 0.00 0.00 66.70 66.50 1buy h VAL 82 Cb 0.05 1.88 0.00 0.00 -1.52 0.00 0.00 31.29 31.71 1buy h VAL 82 CO 0.00 0.26 -0.21 0.11 0.02 0.00 0.00 177.57 177.75 1buy h LYS 83 N -0.30 0.17 0.00 1.57 1.79 -1.00 -3.45 116.57 115.36 1buy h LYS 83 Ca 0.01 -0.16 0.00 0.00 -2.18 0.00 0.00 60.65 58.31 1buy h LYS 83 Cb 0.42 0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.12 1buy h LYS 83 CO 0.00 0.87 0.00 0.43 -1.08 0.00 0.00 179.45 179.67 1buy n SER 84 N -4.54 0.00 0.00 0.86 7.64 0.44 -5.05 113.62 112.97 1buy n SER 84 Ca -0.09 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.79 1buy n SER 84 Cb 0.47 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.67 1buy n SER 84 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1buy n SER 85 N 0.00 0.00 -3.19 6.43 7.64 -1.26 -4.93 113.62 118.31 1buy n SER 85 Ca 0.00 0.08 -0.18 0.00 1.01 0.00 0.00 58.87 59.78 1buy n SER 85 Cb 0.00 -0.37 0.02 0.00 -1.01 0.00 0.00 64.21 62.85 1buy n SER 85 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1buy n GLN 86 N -2.10 -1.82 0.00 1.43 1.13 -1.26 -4.89 117.38 109.87 1buy n GLN 86 Ca 0.00 1.59 0.00 0.00 -1.94 0.00 0.00 57.00 56.65 1buy n GLN 86 Cb 0.00 -2.96 0.00 0.00 0.11 0.00 0.00 30.24 27.39 1buy n GLN 86 CO 0.00 0.00 0.00 -0.35 -1.44 0.00 0.00 177.06 175.27 1buy n PRO 87 N 0.27 2.26 -0.70 -1.09 -0.05 -1.26 -4.96 135.00 129.46 1buy n PRO 87 Ca -0.01 0.00 0.09 0.00 -0.05 0.00 0.00 63.50 63.53 1buy n PRO 87 Cb 0.51 0.00 -0.04 0.00 -0.05 0.00 0.00 33.50 33.92 1buy n PRO 87 CO 0.00 0.00 0.00 1.87 -0.05 0.00 0.00 175.50 177.32 1buy n TRP 88 N 0.00 -1.86 -1.05 0.54 -0.00 -1.26 -4.79 117.44 109.02 1buy n TRP 88 Ca 0.00 1.00 -0.34 0.00 -0.00 0.00 0.00 57.50 58.16 1buy n TRP 88 Cb 0.00 -1.69 0.10 0.00 -0.00 0.00 0.00 31.31 29.72 1buy n TRP 88 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 177.69 178.08 1buy n GLU 89 N -3.26 0.04 -1.54 5.87 1.02 -1.26 -4.75 120.64 116.77 1buy n GLU 89 Ca -0.03 0.07 -0.37 0.00 -0.02 0.00 0.00 57.16 56.80 1buy n GLU 89 Cb 0.33 -1.95 -0.04 0.00 -0.02 0.00 0.00 31.44 29.76 1buy n GLU 89 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 1buy n PRO 90 N -1.57 0.96 0.09 3.49 -0.04 -1.26 -4.77 135.00 131.89 1buy n PRO 90 Ca 0.09 0.02 -0.22 0.00 -0.04 0.00 0.00 63.50 63.35 1buy n PRO 90 Cb 0.51 -3.21 -0.15 0.00 -0.04 0.00 0.00 33.50 30.62 1buy n PRO 90 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 1buy h LEU 91 N 18.52 0.61 -1.84 1.53 7.12 -1.91 -3.32 115.31 136.02 1buy h LEU 91 Ca -0.23 -0.94 0.47 0.00 0.13 0.00 0.00 57.88 57.31 1buy h LEU 91 Cb 1.27 -0.20 -0.08 0.00 -0.53 0.00 0.00 40.66 41.12 1buy h LEU 91 CO 1.18 1.52 1.11 0.06 -0.13 0.00 0.00 178.44 182.17 1buy h GLN 92 N -0.18 0.03 -0.52 1.25 3.07 -1.95 -0.58 115.11 116.22 1buy h GLN 92 Ca -0.19 -0.00 0.09 0.00 0.09 0.00 0.00 58.65 58.64 1buy h GLN 92 Cb 1.84 -0.01 -0.10 0.00 0.08 0.00 0.00 27.48 29.29 1buy h GLN 92 CO 0.20 0.02 -0.40 -0.07 0.09 0.00 0.00 178.83 178.67 1buy h LEU 93 N 0.03 -1.36 -1.13 0.06 4.07 -1.97 0.20 115.31 115.22 1buy h LEU 93 Ca 0.80 0.23 0.04 0.00 0.08 0.00 0.00 57.88 59.02 1buy h LEU 93 Cb 3.01 0.63 -0.05 0.00 1.08 0.00 0.00 40.66 45.32 1buy h LEU 93 CO -0.11 -0.33 0.60 0.45 -1.08 0.00 0.00 178.44 177.96 1buy h HIS 94 N -0.24 1.10 0.00 1.13 3.86 -1.36 -0.37 115.15 119.27 1buy h HIS 94 Ca 0.18 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.42 1buy h HIS 94 Cb 0.56 -0.37 0.00 0.00 1.06 0.00 0.00 27.41 28.67 1buy h HIS 94 CO -0.66 0.64 0.00 0.28 0.86 0.00 0.00 177.93 179.05 1buy n VAL 95 N -4.44 1.48 -0.05 2.45 0.31 0.64 -1.37 118.33 117.35 1buy n VAL 95 Ca 0.12 0.37 -0.15 0.00 -0.01 0.00 0.00 64.34 64.67 1buy n VAL 95 Cb 0.10 -1.29 -0.14 0.00 -0.91 0.00 0.00 33.84 31.61 1buy n VAL 95 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1buy n ASP 96 N -1.44 1.31 0.11 4.52 -0.08 -0.16 -2.90 116.55 117.90 1buy n ASP 96 Ca 0.01 0.18 -0.12 0.00 -1.51 0.00 0.00 54.79 53.35 1buy n ASP 96 Cb 0.05 -0.19 -0.08 0.00 2.34 0.00 0.00 41.12 43.25 1buy n ASP 96 CO 0.00 0.00 0.00 0.07 0.12 0.00 0.00 177.20 177.39 1buy h LYS 97 N 0.02 -0.30 -0.92 -0.67 2.10 -1.13 -1.74 116.57 113.93 1buy h LYS 97 Ca -0.43 0.02 0.14 0.00 -2.00 0.00 0.00 60.65 58.38 1buy h LYS 97 Cb 2.04 0.07 -0.07 0.00 -0.90 0.00 0.00 32.23 33.37 1buy h LYS 97 CO 0.04 0.07 0.59 0.00 -2.00 0.00 0.00 179.45 178.15 1buy h ALA 98 N -0.22 1.78 0.12 0.07 0.00 -1.40 -0.99 119.26 118.61 1buy h ALA 98 Ca -0.03 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1buy h ALA 98 Cb 0.51 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1buy h ALA 98 CO 0.05 -0.03 -0.06 0.28 0.00 0.00 0.00 179.25 179.50 1buy h VAL 99 N 0.74 0.89 -0.85 0.00 2.07 -1.39 -2.43 116.25 115.29 1buy h VAL 99 Ca 0.46 -0.05 0.10 0.00 0.82 0.00 0.00 66.70 68.03 1buy h VAL 99 Cb 0.70 0.93 -0.06 0.00 -1.52 0.00 0.00 31.29 31.33 1buy h VAL 99 CO -0.23 0.01 0.55 0.77 0.02 0.00 0.00 177.57 178.70 1buy h SER 100 N -0.19 0.72 0.90 0.57 4.64 -0.27 -1.60 113.55 118.32 1buy h SER 100 Ca -0.02 0.02 -0.04 0.00 -0.47 0.00 0.00 61.79 61.28 1buy h SER 100 Cb 0.15 -0.13 0.01 0.00 -0.31 0.00 0.00 62.40 62.12 1buy h SER 100 CO 0.03 0.42 -0.43 1.23 -0.87 0.00 0.00 176.83 177.21 1buy h GLY 101 N 0.80 -1.26 0.22 -0.77 0.00 -0.90 0.86 103.07 102.00 1buy h GLY 101 Ca 0.40 0.47 0.18 0.00 0.00 0.00 0.00 47.33 48.37 1buy h GLY 101 CO -0.16 -0.46 0.62 1.41 0.00 0.00 0.00 176.54 177.94 1buy h LEU 102 N -1.26 0.80 0.10 3.11 4.07 -1.14 0.23 115.31 121.22 1buy h LEU 102 Ca -0.12 0.08 -0.01 0.00 0.08 0.00 0.00 57.88 57.91 1buy h LEU 102 Cb 0.93 -0.06 0.00 0.00 1.08 0.00 0.00 40.66 42.61 1buy h LEU 102 CO 0.20 0.32 -0.05 0.03 -1.08 0.00 0.00 178.44 177.86 1buy h ARG 103 N 0.80 -0.13 -0.87 1.13 3.08 -0.95 0.13 114.38 117.57 1buy h ARG 103 Ca 0.56 0.01 0.01 0.00 0.07 0.00 0.00 59.98 60.62 1buy h ARG 103 Cb 0.83 0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.86 1buy h ARG 103 CO -0.34 -0.02 0.57 0.77 -1.07 0.00 0.00 179.97 179.88 1buy h SER 104 N -0.22 1.00 0.51 7.04 0.02 0.02 -0.87 113.55 121.05 1buy h SER 104 Ca -0.01 -0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 60.89 1buy h SER 104 Cb 0.18 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.44 1buy h SER 104 CO 0.02 0.73 -0.51 0.25 -1.14 0.00 0.00 176.83 176.18 1buy h LEU 105 N 1.18 -1.40 -0.41 5.07 5.85 -0.48 0.69 115.31 125.80 1buy h LEU 105 Ca 0.32 0.11 0.05 0.00 0.84 0.00 0.00 57.88 59.20 1buy h LEU 105 Cb -0.13 0.46 -0.08 0.00 0.37 0.00 0.00 40.66 41.28 1buy h LEU 105 CO -0.07 -0.68 -0.54 0.74 -0.34 0.00 0.00 178.44 177.56 1buy h THR 106 N -1.02 0.00 -0.01 1.05 2.02 -0.18 0.17 112.91 114.94 1buy h THR 106 Ca -0.06 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.12 1buy h THR 106 Cb 0.88 0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 67.29 1buy h THR 106 CO -0.06 0.00 0.01 0.74 0.37 0.00 0.00 175.52 176.58 1buy h THR 107 N -0.37 0.93 -0.07 3.16 2.02 -0.83 -2.71 112.91 115.04 1buy h THR 107 Ca 0.07 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.24 1buy h THR 107 Cb 0.56 0.99 -0.00 0.00 -1.74 0.00 0.00 68.15 67.96 1buy h THR 107 CO -0.58 0.00 0.00 0.25 0.37 0.00 0.00 175.52 175.56 1buy h LEU 108 N 0.00 0.12 -0.89 2.58 5.85 0.32 0.30 115.31 123.60 1buy h LEU 108 Ca 0.01 -0.30 -0.01 0.00 0.84 0.00 0.00 57.88 58.42 1buy h LEU 108 Cb 0.03 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 40.99 1buy h LEU 108 CO -0.00 0.38 0.51 -0.07 -0.34 0.00 0.00 178.44 178.92 1buy h LEU 109 N -0.16 1.09 -0.84 2.25 3.38 -1.00 0.16 115.31 120.19 1buy h LEU 109 Ca 0.02 -0.09 -0.11 0.00 0.09 0.00 0.00 57.88 57.79 1buy h LEU 109 Cb 0.32 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 1buy h LEU 109 CO 0.00 0.86 -0.51 -0.09 0.09 0.00 0.00 178.44 178.79 1buy h ARG 110 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31.44 31.78 1buy n GLU 117 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1buy n ALA 118 N -2.28 2.12 -2.68 -1.84 0.00 -1.26 -4.79 120.51 109.78 1buy n ALA 118 Ca -0.10 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 52.91 1buy n ALA 118 Cb 0.24 -1.00 -0.03 0.00 0.00 0.00 0.00 19.45 18.66 1buy n ALA 118 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1buy s ILE 119 N -1.15 4.78 0.21 0.00 1.01 -1.26 -4.97 121.20 119.82 1buy s ILE 119 Ca 0.00 1.95 -0.23 0.00 0.00 0.00 0.00 60.65 62.37 1buy s ILE 119 Cb 0.00 -4.27 0.05 0.00 0.01 0.00 0.00 42.46 38.24 1buy s ILE 119 CO 0.00 -0.04 0.86 -0.55 0.00 0.00 0.00 174.94 175.21 1buy s SER 120 N 1.14 -0.20 1.40 3.58 0.15 -1.26 -5.18 113.70 113.33 1buy s SER 120 Ca 0.45 -0.51 -0.21 0.00 0.70 0.00 0.00 55.95 56.37 1buy s SER 120 Cb -0.17 0.60 0.36 0.00 -1.71 0.00 0.00 66.02 65.09 1buy s SER 120 CO 0.13 -1.11 0.87 -2.65 1.20 0.00 0.00 173.24 171.69 1buy n PRO 121 N -0.47 -4.25 -0.22 5.44 -0.02 -1.26 -4.82 135.00 129.40 1buy n PRO 121 Ca -0.05 -1.25 0.23 0.00 -2.02 0.00 0.00 63.50 60.40 1buy n PRO 121 Cb 0.60 -1.95 0.59 0.00 -0.02 0.00 0.00 33.50 32.72 1buy n PRO 121 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1buy h PRO 122 N -3.40 0.24 -7.50 0.52 0.11 -2.02 -3.41 132.00 116.54 1buy h PRO 122 Ca -0.45 -0.01 -0.47 0.00 0.11 0.00 0.00 66.00 65.18 1buy h PRO 122 Cb 1.31 -0.06 0.12 0.00 0.11 0.00 0.00 31.00 32.49 1buy h PRO 122 CO 0.30 0.16 0.33 -0.51 -0.21 0.00 0.00 178.00 178.07 1buy s ASP 123 N -5.63 3.86 0.00 -2.05 1.11 -1.26 -4.94 116.67 107.75 1buy s ASP 123 Ca -0.07 0.98 0.00 0.00 0.18 0.00 0.00 52.55 53.64 1buy s ASP 123 Cb 0.22 -1.56 0.00 0.00 1.07 0.00 0.00 42.92 42.65 1buy s ASP 123 CO 0.78 -2.33 0.00 0.00 1.18 0.00 0.00 175.17 174.79 1buy n ALA 124 N -3.62 0.00 0.00 5.23 0.00 -1.26 -4.90 120.51 115.95 1buy n ALA 124 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.51 1buy n ALA 124 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.04 1buy n ALA 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1buy n ALA 125 N 0.00 0.00 0.49 0.00 0.00 -1.26 -4.70 120.51 115.04 1buy n ALA 125 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1buy n ALA 125 Cb 0.02 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.47 1buy n ALA 125 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1buy n SER 126 N 0.00 1.02 -1.19 0.00 3.41 -1.26 -3.31 113.62 112.29 1buy n SER 126 Ca 0.00 -0.98 -0.04 0.00 -0.26 0.00 0.00 58.87 57.59 1buy n SER 126 Cb 0.00 -0.24 -0.01 0.00 -0.26 0.00 0.00 64.21 63.69 1buy n SER 126 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1buy n ALA 127 N 0.53 1.72 0.06 7.33 0.00 -1.26 -5.06 120.51 123.82 1buy n ALA 127 Ca 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 53.44 52.94 1buy n ALA 127 Cb 0.19 -0.41 0.00 0.00 0.00 0.00 0.00 19.45 19.23 1buy n ALA 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1buy n ALA 128 N -0.26 0.00 -1.00 0.00 0.00 -1.21 -5.07 120.51 112.97 1buy n ALA 128 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.28 1buy n ALA 128 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.04 1buy n ALA 128 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1buy n PRO 129 N -2.64 0.00 -3.68 0.00 -0.04 -1.25 -4.81 135.00 122.58 1buy n PRO 129 Ca 0.00 0.08 -0.30 0.00 -0.04 0.00 0.00 63.50 63.24 1buy n PRO 129 Cb 0.00 -0.66 -0.06 0.00 -0.04 0.00 0.00 33.50 32.74 1buy n PRO 129 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1buy n LEU 130 N -0.25 -0.60 -0.67 1.53 4.32 -1.26 -4.75 117.00 115.32 1buy n LEU 130 Ca 0.00 -0.89 0.00 0.00 -0.02 0.00 0.00 56.01 55.10 1buy n LEU 130 Cb 0.00 -1.14 0.00 0.00 -1.62 0.00 0.00 43.42 40.66 1buy n LEU 130 CO 0.00 0.09 0.31 -2.11 -1.22 0.00 0.00 177.39 174.47 1buy n ARG 131 N -3.08 0.93 -2.84 3.23 0.00 -1.26 -4.81 116.66 108.83 1buy n ARG 131 Ca 0.06 0.00 -0.26 0.00 -0.00 0.00 0.00 57.85 57.65 1buy n ARG 131 Cb 0.34 -1.32 0.00 0.00 -0.00 0.00 0.00 32.46 31.48 1buy n ARG 131 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.63 177.55 1buy s THR 132 N -0.63 4.74 0.19 8.89 -1.32 -1.26 -4.92 115.64 121.33 1buy s THR 132 Ca 0.00 -0.06 -0.02 0.00 -1.21 0.00 0.00 61.69 60.40 1buy s THR 132 Cb 0.00 -3.78 -0.05 0.00 -1.51 0.00 0.00 72.50 67.16 1buy s THR 132 CO 0.00 -0.68 0.39 -0.51 -2.21 0.00 0.00 174.62 171.61 1buy s ILE 133 N -2.64 5.19 0.67 5.08 -1.16 -1.21 -4.74 121.20 122.40 1buy s ILE 133 Ca 0.46 -0.25 -0.13 0.00 -0.51 0.00 0.00 60.65 60.22 1buy s ILE 133 Cb -0.10 -3.70 0.00 0.00 0.61 0.00 0.00 42.46 39.27 1buy s ILE 133 CO 0.42 -0.12 1.08 0.42 -2.81 0.00 0.00 174.94 173.92 1buy s THR 134 N -1.82 3.66 -0.06 4.00 -4.23 -1.26 -0.11 115.64 115.83 1buy s THR 134 Ca 0.39 0.66 -0.00 0.00 -1.18 0.00 0.00 61.69 61.56 1buy s THR 134 Cb -0.11 -3.24 0.02 0.00 1.34 0.00 0.00 72.50 70.52 1buy s THR 134 CO 0.28 -0.59 -0.02 0.00 -0.54 0.00 0.00 174.62 173.75 1buy s ALA 135 N -2.69 0.68 -0.19 3.99 0.00 0.43 -4.80 121.76 119.18 1buy s ALA 135 Ca 0.62 -0.09 0.16 0.00 0.00 0.00 0.00 51.96 52.65 1buy s ALA 135 Cb -0.17 -0.58 0.52 0.00 0.00 0.00 0.00 23.12 22.90 1buy s ALA 135 CO 0.47 -0.23 1.42 -0.25 0.00 0.00 0.00 175.76 177.17 1buy n ASP 136 N 4.58 3.68 -3.59 0.00 8.00 -1.26 0.33 116.55 128.30 1buy n ASP 136 Ca -0.17 -3.10 -0.16 0.00 0.71 0.00 0.00 54.79 52.07 1buy n ASP 136 Cb 0.50 -0.55 -0.07 0.00 -0.02 0.00 0.00 41.12 40.98 1buy n ASP 136 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1buy s THR 137 N -2.88 0.01 0.28 -3.53 -4.23 -1.26 -3.69 115.64 100.34 1buy s THR 137 Ca 0.42 -0.06 0.14 0.00 -1.18 0.00 0.00 61.69 61.01 1buy s THR 137 Cb 0.35 -0.92 0.06 0.00 1.34 0.00 0.00 72.50 73.32 1buy s THR 137 CO 0.08 -0.03 1.72 -0.26 -0.54 0.00 0.00 174.62 175.58 1buy h PHE 138 N 3.66 0.00 -1.27 3.99 0.04 -1.88 -2.63 116.94 118.86 1buy h PHE 138 Ca -0.28 0.00 0.40 0.00 2.80 0.00 0.00 57.97 60.89 1buy h PHE 138 Cb 1.15 0.00 -0.12 0.00 2.20 0.00 0.00 35.95 39.18 1buy h PHE 138 CO 0.40 0.47 0.82 0.00 -0.60 0.00 0.00 178.31 179.41 1buy h ARG 139 N 0.00 0.14 0.46 1.51 3.08 -1.76 -0.57 114.38 117.24 1buy h ARG 139 Ca -0.00 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.01 1buy h ARG 139 Cb 0.90 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.92 1buy h ARG 139 CO 0.06 0.09 -0.22 0.87 -1.07 0.00 0.00 179.97 179.71 1buy h LYS 140 N 0.15 -0.59 -0.93 0.04 1.57 -1.81 -2.57 116.57 112.43 1buy h LYS 140 Ca 0.77 0.04 0.16 0.00 -1.87 0.00 0.00 60.65 59.74 1buy h LYS 140 Cb 2.36 0.13 -0.16 0.00 0.08 0.00 0.00 32.23 34.64 1buy h LYS 140 CO -0.38 -0.39 -0.35 -0.07 -0.57 0.00 0.00 179.45 177.69 1buy h LEU 141 N -0.89 -1.28 -0.28 2.94 4.07 -1.26 0.27 115.31 118.88 1buy h LEU 141 Ca -0.06 0.29 -0.02 0.00 0.08 0.00 0.00 57.88 58.18 1buy h LEU 141 Cb 0.47 0.70 -0.01 0.00 1.08 0.00 0.00 40.66 42.90 1buy h LEU 141 CO 0.10 -0.30 0.11 -0.26 -1.08 0.00 0.00 178.44 177.01 1buy h PHE 142 N -0.02 0.43 -0.78 1.13 0.04 -1.58 0.51 116.94 116.67 1buy h PHE 142 Ca 0.36 -0.03 0.00 0.00 2.80 0.00 0.00 57.97 61.09 1buy h PHE 142 Cb 0.61 -0.13 -0.04 0.00 2.20 0.00 0.00 35.95 38.60 1buy h PHE 142 CO -0.81 0.43 0.49 0.00 -0.60 0.00 0.00 178.31 177.82 1buy h ARG 143 N 0.29 1.04 0.52 1.51 2.47 -0.84 -1.75 114.38 117.63 1buy h ARG 143 Ca 0.09 -0.08 -0.03 0.00 -1.26 0.00 0.00 59.98 58.70 1buy h ARG 143 Cb 0.19 -0.22 0.01 0.00 -1.65 0.00 0.00 29.97 28.29 1buy h ARG 143 CO -0.01 0.72 -0.25 0.28 0.56 0.00 0.00 179.97 181.27 1buy h VAL 144 N 1.06 0.46 0.00 2.04 2.07 -0.30 -0.03 116.25 121.54 1buy h VAL 144 Ca 0.28 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 67.63 1buy h VAL 144 Cb -0.07 0.54 0.00 0.00 -1.52 0.00 0.00 31.29 30.23 1buy h VAL 144 CO -0.06 0.03 0.18 0.00 0.02 0.00 0.00 177.57 177.75 1buy n TYR 145 N -5.35 0.00 -0.09 1.57 9.36 0.18 0.16 117.16 122.98 1buy n TYR 145 Ca -0.12 0.00 -0.14 0.00 3.32 0.00 0.00 57.90 60.96 1buy n TYR 145 Cb 0.31 -0.32 -0.06 0.00 -0.63 0.00 0.00 39.34 38.64 1buy n TYR 145 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 1buy n SER 146 N -1.32 1.87 -0.17 2.98 2.88 -0.18 -4.41 113.62 115.27 1buy n SER 146 Ca -0.00 0.48 -0.11 0.00 -1.33 0.00 0.00 58.87 57.91 1buy n SER 146 Cb 0.18 -0.87 0.01 0.00 -0.75 0.00 0.00 64.21 62.78 1buy n SER 146 CO 0.00 0.00 0.00 0.78 -1.23 0.00 0.00 175.04 174.59 1buy h ASN 147 N -1.00 1.04 -0.17 -3.46 -0.26 0.55 -3.30 115.58 108.98 1buy h ASN 147 Ca -0.21 -0.38 0.04 0.00 -0.56 0.00 0.00 56.30 55.19 1buy h ASN 147 Cb 1.00 -0.28 -0.07 0.00 -1.06 0.00 0.00 38.32 37.90 1buy h ASN 147 CO -0.13 1.18 -0.53 0.15 -1.06 0.00 0.00 177.43 177.05 1buy h PHE 148 N 0.89 -1.56 -1.01 1.19 3.57 -0.53 -1.40 116.94 118.09 1buy h PHE 148 Ca 0.12 0.06 0.01 0.00 3.53 0.00 0.00 57.97 61.70 1buy h PHE 148 Cb 0.76 0.70 -0.05 0.00 2.79 0.00 0.00 35.95 40.15 1buy h PHE 148 CO 0.05 -0.53 0.67 -0.07 -2.23 0.00 0.00 178.31 176.20 1buy h LEU 149 N -0.55 1.15 -2.75 0.59 -0.00 -1.77 0.31 115.31 112.29 1buy h LEU 149 Ca 0.05 -0.03 0.00 0.00 -0.00 0.00 0.00 57.88 57.90 1buy h LEU 149 Cb 0.67 -0.29 0.00 0.00 -0.00 0.00 0.00 40.66 41.04 1buy h LEU 149 CO -0.45 0.83 0.00 -0.09 -0.00 0.00 0.00 178.44 178.73 1buy h ARG 150 N 1.36 0.00 0.00 1.13 9.65 -1.36 -1.92 114.38 123.24 1buy h ARG 150 Ca 0.37 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.25 1buy h ARG 150 Cb -0.15 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.43 1buy h ARG 150 CO -0.08 0.00 0.00 0.41 2.80 0.00 0.00 179.97 183.10 1buy n GLY 151 N -0.94 1.58 0.38 2.80 0.00 0.08 -4.07 105.19 105.01 1buy n GLY 151 Ca -0.02 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.16 1buy n GLY 151 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1buy h LYS 152 N 0.00 0.58 0.17 1.61 1.57 -1.66 -1.36 116.57 117.48 1buy h LYS 152 Ca 0.00 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 1buy h LYS 152 Cb 0.00 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.18 1buy h LYS 152 CO 0.00 0.38 -0.08 1.25 -0.57 0.00 0.00 179.45 180.43 1buy h LEU 153 N 0.60 -0.20 -0.12 2.94 7.12 -1.51 0.24 115.31 124.37 1buy h LEU 153 Ca 0.56 0.01 0.05 0.00 0.13 0.00 0.00 57.88 58.63 1buy h LEU 153 Cb 1.11 0.05 -0.06 0.00 -0.53 0.00 0.00 40.66 41.23 1buy h LEU 153 CO -0.32 -0.14 -0.25 0.11 -0.13 0.00 0.00 178.44 177.71 1buy h LYS 154 N -0.23 -0.31 -0.09 1.25 1.79 -0.95 0.13 116.57 118.17 1buy h LYS 154 Ca -0.02 0.02 0.04 0.00 -2.18 0.00 0.00 60.65 58.51 1buy h LYS 154 Cb 0.18 0.07 -0.05 0.00 -1.58 0.00 0.00 32.23 30.85 1buy h LYS 154 CO 0.03 -0.21 -0.24 -0.07 -1.08 0.00 0.00 179.45 177.89 1buy h LEU 155 N -0.32 -0.72 0.27 2.94 3.38 -1.00 0.20 115.31 120.06 1buy h LEU 155 Ca 0.10 0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.18 1buy h LEU 155 Cb 0.47 0.31 -0.02 0.00 0.09 0.00 0.00 40.66 41.51 1buy h LEU 155 CO -0.31 -0.29 -0.24 0.22 0.09 0.00 0.00 178.44 177.91 1buy h TYR 156 N -0.32 -0.65 -0.96 1.13 5.03 -0.25 -1.66 116.97 119.29 1buy h TYR 156 Ca 0.09 0.00 0.17 0.00 2.58 0.00 0.00 58.73 61.57 1buy h TYR 156 Cb 0.45 0.25 -0.10 0.00 1.55 0.00 0.00 36.73 38.88 1buy h TYR 156 CO -0.32 -0.36 0.56 1.15 -1.32 0.00 0.00 178.16 177.87 1buy h THR 157 N -0.54 0.72 -0.57 1.81 2.02 -0.45 0.36 112.91 116.26 1buy h THR 157 Ca -0.01 -0.25 0.10 0.00 0.77 0.00 0.00 66.41 67.02 1buy h THR 157 Cb 0.49 -0.08 -0.08 0.00 -1.74 0.00 0.00 68.15 66.74 1buy h THR 157 CO -0.04 0.13 0.14 1.23 0.37 0.00 0.00 175.52 177.36 1buy h GLY 158 N 0.74 0.74 1.68 2.16 0.00 0.36 0.14 103.07 108.89 1buy h GLY 158 Ca 0.54 -0.05 -0.18 0.00 0.00 0.00 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