#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d3s s TYR 2 N 0.00 3.73 -0.27 2.89 2.02 -1.26 -4.18 117.35 120.28 3d3s s TYR 2 Ca 0.00 1.16 -0.14 0.00 -0.37 0.00 0.00 57.07 57.73 3d3s s TYR 2 Cb 0.00 -2.43 -0.04 0.00 -0.40 0.00 0.00 41.96 39.09 3d3s s TYR 2 CO 0.00 0.54 0.32 -1.58 -1.57 0.00 0.00 175.55 173.27 3d3s s HIS 3 N -1.23 3.25 -0.11 2.71 5.65 -0.24 -4.87 115.29 120.46 3d3s s HIS 3 Ca 0.31 0.35 -0.12 0.00 0.25 0.00 0.00 55.06 55.85 3d3s s HIS 3 Cb -0.18 -2.51 -0.05 0.00 -1.18 0.00 0.00 32.58 28.66 3d3s s HIS 3 CO 0.18 -0.19 0.27 -0.51 -0.65 0.00 0.00 174.74 173.84 3d3s s LEU 4 N 1.93 4.35 0.16 8.88 1.43 -1.26 -1.31 118.68 132.85 3d3s s LEU 4 Ca 0.13 0.61 -0.23 0.00 -1.03 0.00 0.00 54.13 53.61 3d3s s LEU 4 Cb -0.16 -2.33 0.07 0.00 0.03 0.00 0.00 46.19 43.80 3d3s s LEU 4 CO 0.10 0.25 0.60 0.00 0.23 0.00 0.00 176.35 177.54 3d3s s ARG 5 N -0.39 1.27 0.66 1.70 1.70 -0.86 -5.00 118.95 118.03 3d3s s ARG 5 Ca 0.18 -0.46 -0.17 0.00 -0.47 0.00 0.00 55.73 54.80 3d3s s ARG 5 Cb -0.14 0.59 -0.00 0.00 -0.57 0.00 0.00 34.95 34.83 3d3s s ARG 5 CO 0.06 -0.56 1.24 -2.14 -1.08 0.00 0.00 175.30 172.82 3d3s s PRO 6 N -3.73 2.54 0.66 3.89 0.02 -1.26 -0.74 135.00 136.37 3d3s s PRO 6 Ca 0.01 1.88 -0.13 0.00 0.02 0.00 0.00 61.00 62.78 3d3s s PRO 6 Cb -0.01 -1.87 -0.01 0.00 0.02 0.00 0.00 34.50 32.64 3d3s s PRO 6 CO -0.13 -1.56 1.07 -1.25 -0.33 0.00 0.00 177.00 174.80 3d3s s PRO 7 N -3.55 3.00 0.36 5.54 0.04 -1.26 -4.73 135.00 134.40 3d3s s PRO 7 Ca 0.78 1.13 0.09 0.00 0.04 0.00 0.00 61.00 63.04 3d3s s PRO 7 Cb -0.32 -1.99 -0.06 0.00 0.04 0.00 0.00 34.50 32.16 3d3s s PRO 7 CO 0.40 -1.06 0.00 1.03 0.04 0.00 0.00 177.00 177.41 3d3s s ARG 8 N -4.52 2.01 0.26 4.56 0.52 -1.26 -4.81 118.95 115.71 3d3s s ARG 8 Ca 0.62 -1.86 -0.01 0.00 -0.52 0.00 0.00 55.73 53.95 3d3s s ARG 8 Cb -0.16 -1.83 0.50 0.00 0.52 0.00 0.00 34.95 33.98 3d3s s ARG 8 CO 0.46 0.08 1.79 -0.09 0.02 0.00 0.00 175.30 177.57 3d3s h ARG 9 N 1.82 0.74 0.00 3.54 2.43 -1.93 -1.24 114.38 119.73 3d3s h ARG 9 Ca -0.43 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 58.70 3d3s h ARG 9 Cb 1.25 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 30.63 3d3s h ARG 9 CO 0.70 0.49 0.00 0.09 -1.51 0.00 0.00 179.97 179.74 3d3s n ASN 10 N -4.77 0.00 0.08 -3.80 3.02 -1.26 -1.56 115.26 106.97 3d3s n ASN 10 Ca 0.17 -0.12 0.12 0.00 -0.03 0.00 0.00 54.58 54.71 3d3s n ASN 10 Cb 0.38 -0.22 0.13 0.00 -0.61 0.00 0.00 39.78 39.45 3d3s n ASN 10 CO 0.00 0.00 0.00 0.44 -2.62 0.00 0.00 177.26 175.08 3d3s h ASP 11 N 0.00 0.00 -0.60 6.41 3.32 -1.63 -3.42 116.42 120.51 3d3s h ASP 11 Ca 0.00 -0.13 0.06 0.00 0.02 0.00 0.00 57.03 56.98 3d3s h ASP 11 Cb 0.14 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 39.63 3d3s h ASP 11 CO 0.00 0.07 0.30 1.23 -1.72 0.00 0.00 179.24 179.11 3d3s h GLY 12 N 4.33 0.86 1.03 2.75 0.00 -1.35 0.75 103.07 111.44 3d3s h GLY 12 Ca 0.00 -0.19 -0.02 0.00 0.00 0.00 0.00 47.33 47.11 3d3s h GLY 12 CO 0.00 0.09 0.41 0.00 0.00 0.00 0.00 176.54 177.05 3d3s h ALA 13 N 1.34 1.05 -0.11 3.60 0.00 -1.80 -1.42 119.26 121.92 3d3s h ALA 13 Ca 0.28 -0.15 -0.18 0.00 0.00 0.00 0.00 54.91 54.86 3d3s h ALA 13 Cb 0.23 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 3d3s h ALA 13 CO -0.21 0.60 -0.70 0.00 0.00 0.00 0.00 179.25 178.94 3d3s h ALA 14 N 1.22 0.58 -0.62 0.00 0.00 -1.57 -1.66 119.26 117.20 3d3s h ALA 14 Ca 0.28 -0.59 -0.08 0.00 0.00 0.00 0.00 54.91 54.53 3d3s h ALA 14 Cb 0.09 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 3d3s h ALA 14 CO -0.04 0.73 0.07 0.82 0.00 0.00 0.00 179.25 180.84 3d3s h ILE 15 N 0.35 1.26 -0.33 0.00 2.04 -0.68 -0.11 117.51 120.04 3d3s h ILE 15 Ca -0.03 -1.06 -0.01 0.00 1.00 0.00 0.00 64.86 64.77 3d3s h ILE 15 Cb 1.27 0.74 -0.02 0.00 -0.74 0.00 0.00 36.82 38.08 3d3s h ILE 15 CO 0.13 0.39 0.18 -0.74 0.00 0.00 0.00 178.15 178.11 3d3s h HIS 16 N 0.95 0.45 -0.83 1.37 2.76 -1.05 0.10 115.15 118.90 3d3s h HIS 16 Ca 0.18 -0.01 -0.03 0.00 -2.20 0.00 0.00 60.37 58.31 3d3s h HIS 16 Cb 0.47 -0.14 -0.04 0.00 1.55 0.00 0.00 27.41 29.25 3d3s h HIS 16 CO 0.03 0.36 0.38 0.37 -1.30 0.00 0.00 177.93 177.78 3d3s h GLN 17 N 0.41 1.20 0.05 5.26 5.75 -1.20 -1.13 115.11 125.45 3d3s h GLN 17 Ca 0.12 -0.19 -0.00 0.00 -0.15 0.00 0.00 58.65 58.43 3d3s h GLN 17 Cb 0.06 -0.21 0.00 0.00 1.07 0.00 0.00 27.48 28.40 3d3s h GLN 17 CO -0.02 0.94 -0.02 1.25 -2.65 0.00 0.00 178.83 178.32 3d3s h LEU 18 N 1.19 -0.06 -0.53 -2.39 5.85 -0.63 -1.54 115.31 117.21 3d3s h LEU 18 Ca 0.28 -0.05 0.07 0.00 0.84 0.00 0.00 57.88 59.02 3d3s h LEU 18 Cb 0.14 0.01 -0.06 0.00 0.37 0.00 0.00 40.66 41.13 3d3s h LEU 18 CO -0.03 0.01 0.21 0.58 -0.34 0.00 0.00 178.44 178.86 3d3s h VAL 19 N -0.12 0.85 -0.98 1.05 2.07 -0.75 -0.83 116.25 117.53 3d3s h VAL 19 Ca -0.01 -0.14 0.17 0.00 0.82 0.00 0.00 66.70 67.55 3d3s h VAL 19 Cb 0.10 0.41 -0.09 0.00 -1.52 0.00 0.00 31.29 30.19 3d3s h VAL 19 CO 0.01 0.07 0.61 -1.28 0.02 0.00 0.00 177.57 177.01 3d3s h SER 20 N 0.40 0.75 -0.03 0.57 0.87 -1.00 -1.66 113.55 113.44 3d3s h SER 20 Ca 0.25 0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.88 3d3s h SER 20 Cb 0.25 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.14 3d3s h SER 20 CO -0.24 0.32 0.00 -0.62 -0.53 0.00 0.00 176.83 175.76 3d3s n GLU 21 N -4.67 1.23 -2.80 2.24 1.02 -0.37 -3.88 120.64 113.42 3d3s n GLU 21 Ca 0.21 -0.34 -0.28 0.00 -0.02 0.00 0.00 57.16 56.73 3d3s n GLU 21 Cb 0.53 -1.41 -0.03 0.00 -0.02 0.00 0.00 31.44 30.51 3d3s n GLU 21 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3d3s s PRO 23 N -3.54 2.76 -0.30 0.00 0.04 -1.25 -1.83 135.00 130.88 3d3s s PRO 23 Ca 0.48 1.99 0.05 0.00 0.04 0.00 0.00 61.00 63.56 3d3s s PRO 23 Cb 0.31 -1.91 0.53 0.00 0.04 0.00 0.00 34.50 33.47 3d3s s PRO 23 CO -0.16 -1.42 1.64 -0.35 0.04 0.00 0.00 177.00 176.75 3d3s n PRO 24 N -1.71 2.42 -1.72 0.56 -0.04 -1.26 -5.11 135.00 128.13 3d3s n PRO 24 Ca 0.15 -2.30 -0.41 0.00 -0.04 0.00 0.00 63.50 60.90 3d3s n PRO 24 Cb 0.48 -1.94 0.01 0.00 -0.04 0.00 0.00 33.50 32.02 3d3s n PRO 24 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3d3s n LEU 25 N -0.46 4.46 -4.73 1.53 4.77 -0.76 -4.39 117.00 117.41 3d3s n LEU 25 Ca 0.40 1.11 -0.42 0.00 -0.03 0.00 0.00 56.01 57.07 3d3s n LEU 25 Cb 1.29 -1.54 -0.02 0.00 -2.33 0.00 0.00 43.42 40.82 3d3s n LEU 25 CO 0.41 -0.46 1.23 -1.81 -1.33 0.00 0.00 177.39 175.43 3d3s s ASP 26 N -0.51 6.51 -0.52 -1.43 1.01 -1.26 -4.91 116.67 115.56 3d3s s ASP 26 Ca 0.61 2.76 -0.19 0.00 0.71 0.00 0.00 52.55 56.44 3d3s s ASP 26 Cb -0.48 -2.61 0.07 0.00 1.01 0.00 0.00 42.92 40.90 3d3s s ASP 26 CO 0.58 -0.84 0.64 -0.22 0.21 0.00 0.00 175.17 175.54 3d3s s LEU 27 N 0.32 5.04 0.92 1.23 2.96 -1.26 -4.95 118.68 122.94 3d3s s LEU 27 Ca 0.66 -1.00 -0.13 0.00 -0.22 0.00 0.00 54.13 53.44 3d3s s LEU 27 Cb -0.45 -2.42 0.15 0.00 0.50 0.00 0.00 46.19 43.96 3d3s s LEU 27 CO 0.39 -0.93 1.17 0.20 -1.32 0.00 0.00 176.35 175.85 3d3s s ASN 28 N 2.86 3.45 0.58 3.68 0.01 -1.26 -5.01 114.94 119.25 3d3s s ASN 28 Ca 0.14 0.81 -0.19 0.00 -0.71 0.00 0.00 52.86 52.91 3d3s s ASN 28 Cb -0.20 -1.27 -0.04 0.00 0.41 0.00 0.00 41.25 40.15 3d3s s ASN 28 CO 0.11 -2.57 1.21 -0.94 -1.51 0.00 0.00 177.10 173.39 3d3s s SER 29 N -4.24 5.28 0.29 -1.22 1.04 -1.26 -4.91 113.70 108.69 3d3s s SER 29 Ca 0.65 2.38 0.04 0.00 0.48 0.00 0.00 55.95 59.51 3d3s s SER 29 Cb -0.12 -2.60 0.73 0.00 0.10 0.00 0.00 66.02 64.13 3d3s s SER 29 CO 0.53 -1.53 1.71 0.25 0.98 0.00 0.00 173.24 175.18 3d3s h LEU 30 N 0.99 0.41 -0.83 2.42 5.85 -1.96 -1.10 115.31 121.09 3d3s h LEU 30 Ca -0.50 0.14 0.06 0.00 0.84 0.00 0.00 57.88 58.43 3d3s h LEU 30 Cb 1.29 0.10 -0.06 0.00 0.37 0.00 0.00 40.66 42.37 3d3s h LEU 30 CO 0.56 0.04 0.51 0.22 -0.34 0.00 0.00 178.44 179.42 3d3s h TYR 31 N 0.45 0.94 -0.77 1.25 5.03 -1.97 -1.28 116.97 120.62 3d3s h TYR 31 Ca 0.56 0.03 0.05 0.00 2.58 0.00 0.00 58.73 61.95 3d3s h TYR 31 Cb 1.05 -0.30 -0.05 0.00 1.55 0.00 0.00 36.73 38.97 3d3s h TYR 31 CO -0.11 0.47 0.47 0.00 -1.32 0.00 0.00 178.16 177.67 3d3s h ALA 32 N 1.40 1.04 -0.87 1.82 0.00 -1.55 -1.13 119.26 119.97 3d3s h ALA 32 Ca 0.37 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.24 3d3s h ALA 32 Cb 0.19 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 3d3s h ALA 32 CO -0.18 0.22 0.43 1.88 0.00 0.00 0.00 179.25 181.60 3d3s h TYR 33 N 0.89 1.23 -0.80 0.00 0.05 -1.21 -2.12 116.97 115.00 3d3s h TYR 33 Ca 0.33 -0.05 0.00 0.00 0.05 0.00 0.00 58.73 59.06 3d3s h TYR 33 Cb 0.11 -0.38 -0.04 0.00 1.01 0.00 0.00 36.73 37.43 3d3s h TYR 33 CO -0.04 0.88 0.51 -0.07 -1.05 0.00 0.00 178.16 178.39 3d3s h LEU 34 N 1.23 0.94 -0.84 3.88 3.38 -0.75 -1.58 115.31 121.56 3d3s h LEU 34 Ca 0.30 -0.04 -0.07 0.00 0.09 0.00 0.00 57.88 58.16 3d3s h LEU 34 Cb 0.10 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 3d3s h LEU 34 CO -0.04 0.70 0.06 -0.07 0.09 0.00 0.00 178.44 179.18 3d3s h LEU 35 N 1.10 0.88 -0.42 1.67 3.38 -0.94 0.51 115.31 121.50 3d3s h LEU 35 Ca 0.29 -0.20 0.02 0.00 0.09 0.00 0.00 57.88 58.08 3d3s h LEU 35 Cb -0.09 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.40 3d3s h LEU 35 CO -0.06 0.91 0.24 -0.07 0.09 0.00 0.00 178.44 179.55 3d3s h LEU 36 N 0.87 0.38 -0.94 1.67 3.38 -0.86 0.96 115.31 120.77 3d3s h LEU 36 Ca 0.17 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.13 3d3s h LEU 36 Cb 0.43 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 41.06 3d3s h LEU 36 CO 0.01 0.27 0.47 0.00 0.09 0.00 0.00 178.44 179.29 3d3s h GLU 38 N 1.22 0.63 0.00 0.00 4.39 -0.54 -3.35 114.58 116.94 3d3s h GLU 38 Ca 0.31 -0.69 -0.00 0.00 0.34 0.00 0.00 59.36 59.32 3d3s h GLU 38 Cb 0.04 0.20 -0.00 0.00 -0.10 0.00 0.00 28.75 28.88 3d3s h GLU 38 CO -0.05 1.28 -1.48 0.72 -1.16 0.00 0.00 179.01 178.33 3d3s n HIS 39 N -3.82 0.00 -1.61 4.33 8.25 0.30 -4.70 115.22 117.96 3d3s n HIS 39 Ca -0.10 0.00 0.06 0.00 -0.26 0.00 0.00 57.72 57.42 3d3s n HIS 39 Cb 0.88 -0.24 0.14 0.00 1.12 0.00 0.00 29.99 31.88 3d3s n HIS 39 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 3d3s n HIS 40 N -1.86 0.00 -0.00 4.41 8.25 -0.24 -4.84 115.22 120.92 3d3s n HIS 40 Ca -0.02 -1.02 -0.01 0.00 -0.26 0.00 0.00 57.72 56.41 3d3s n HIS 40 Cb 0.27 -0.18 0.28 0.00 1.12 0.00 0.00 29.99 31.48 3d3s n HIS 40 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3d3s h ALA 41 N 0.57 1.33 0.00 -1.41 0.00 -1.65 -1.79 119.26 116.30 3d3s h ALA 41 Ca -0.03 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.66 3d3s h ALA 41 Cb 1.18 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.82 3d3s h ALA 41 CO 0.02 0.46 0.00 1.12 0.00 0.00 0.00 179.25 180.84 3d3s h HIS 42 N 0.51 0.00 0.00 0.00 2.07 -1.90 -2.28 115.15 113.55 3d3s h HIS 42 Ca 0.11 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.63 3d3s h HIS 42 Cb 0.37 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.35 3d3s h HIS 42 CO 0.01 0.00 0.00 0.25 -3.07 0.00 0.00 177.93 175.12 3d3s n THR 43 N -2.38 0.85 -4.47 6.12 -2.24 -0.71 -4.87 114.28 106.58 3d3s n THR 43 Ca 0.00 -0.91 -0.26 0.00 -2.27 0.00 0.00 64.05 60.61 3d3s n THR 43 Cb 0.15 0.58 -0.10 0.00 -2.10 0.00 0.00 70.33 68.87 3d3s n THR 43 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3d3s s VAL 45 N -2.64 0.03 0.15 0.00 0.11 -0.91 -4.37 120.40 112.76 3d3s s VAL 45 Ca 0.36 -0.22 0.11 0.00 -2.93 0.00 0.00 61.98 59.29 3d3s s VAL 45 Cb 0.06 -0.73 -0.04 0.00 -1.53 0.00 0.00 36.38 34.13 3d3s s VAL 45 CO 0.19 -0.12 -0.26 0.68 -3.33 0.00 0.00 175.10 172.26 3d3s s VAL 46 N -0.88 2.26 -0.23 2.04 -7.23 0.08 -1.07 120.40 115.37 3d3s s VAL 46 Ca -0.09 -1.83 -0.02 0.00 -1.81 0.00 0.00 61.98 58.22 3d3s s VAL 46 Cb -0.03 -2.02 0.01 0.00 0.56 0.00 0.00 36.38 34.90 3d3s s VAL 46 CO 0.05 0.02 -0.07 0.00 -0.31 0.00 0.00 175.10 174.79 3d3s s ALA 47 N -1.25 2.69 -0.16 1.32 0.00 -0.05 -2.04 121.76 122.27 3d3s s ALA 47 Ca 0.16 -1.32 -0.01 0.00 0.00 0.00 0.00 51.96 50.79 3d3s s ALA 47 Cb -0.09 -1.63 -0.01 0.00 0.00 0.00 0.00 23.12 21.39 3d3s s ALA 47 CO 0.07 -0.60 -0.12 -2.00 0.00 0.00 0.00 175.76 173.11 3d3s s GLU 48 N 1.38 3.34 0.79 0.00 2.12 -0.43 -1.07 118.70 124.83 3d3s s GLU 48 Ca 0.03 -0.69 -0.11 0.00 0.36 0.00 0.00 54.97 54.57 3d3s s GLU 48 Cb -0.15 -2.71 0.06 0.00 0.26 0.00 0.00 34.13 31.59 3d3s s GLU 48 CO -0.05 0.07 1.09 -1.54 -0.54 0.00 0.00 175.26 174.29 3d3s s SER 49 N 0.71 4.42 0.35 -1.70 1.04 0.43 -1.07 113.70 117.87 3d3s s SER 49 Ca -0.06 1.73 0.16 0.00 0.48 0.00 0.00 55.95 58.27 3d3s s SER 49 Cb -0.15 -2.45 1.11 0.00 0.10 0.00 0.00 66.02 64.63 3d3s s SER 49 CO 0.02 -2.08 1.67 -0.65 0.98 0.00 0.00 173.24 173.18 3d3s h PRO 50 N -1.16 0.31 -0.06 4.02 0.11 -1.91 0.27 132.00 133.59 3d3s h PRO 50 Ca -0.45 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3d3s h PRO 50 Cb 1.24 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3d3s h PRO 50 CO 0.53 0.21 0.00 0.41 -0.21 0.00 0.00 178.00 178.93 3d3s n GLY 51 N -1.32 -0.35 0.71 -0.55 0.00 -1.26 -4.90 105.19 97.52 3d3s n GLY 51 Ca 0.32 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 46.03 3d3s n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3d3s n GLY 52 N 1.02 0.82 3.78 -0.02 0.00 0.95 -5.07 105.19 106.68 3d3s n GLY 52 Ca 0.17 -0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.81 3d3s n GLY 52 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3d3s s ARG 53 N -0.64 4.62 -0.47 1.61 3.52 -1.26 -4.75 118.95 121.58 3d3s s ARG 53 Ca 0.00 1.30 -0.18 0.00 -0.13 0.00 0.00 55.73 56.72 3d3s s ARG 53 Cb 0.00 -3.01 0.05 0.00 -1.56 0.00 0.00 34.95 30.43 3d3s s ARG 53 CO 0.00 0.40 0.51 0.42 -0.81 0.00 0.00 175.30 175.82 3d3s s ILE 54 N -1.42 5.03 -1.62 4.11 1.01 -1.26 -0.43 121.20 126.62 3d3s s ILE 54 Ca 0.45 -0.54 0.16 0.00 0.00 0.00 0.00 60.65 60.71 3d3s s ILE 54 Cb -0.21 -4.17 0.04 0.00 0.01 0.00 0.00 42.46 38.14 3d3s s ILE 54 CO 0.26 -0.61 0.89 0.47 0.00 0.00 0.00 174.94 175.95 3d3s n ASP 55 N 5.76 1.85 -3.80 3.58 8.00 -0.23 -4.82 116.55 126.89 3d3s n ASP 55 Ca -0.08 -1.43 -0.12 0.00 0.71 0.00 0.00 54.79 53.88 3d3s n ASP 55 Cb 0.46 0.29 -0.09 0.00 -0.02 0.00 0.00 41.12 41.77 3d3s n ASP 55 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 3d3s s GLY 56 N -1.64 -0.06 -0.17 0.44 0.00 -1.14 -1.22 107.32 103.53 3d3s s GLY 56 Ca 0.15 0.05 -0.17 0.00 0.00 0.00 0.00 44.72 44.74 3d3s s GLY 56 CO 0.31 -0.14 0.49 -0.12 0.00 0.00 0.00 173.10 173.64 3d3s s PHE 57 N -1.76 -0.52 -0.07 1.90 5.36 -0.48 -0.87 117.98 121.54 3d3s s PHE 57 Ca -0.11 1.25 0.01 0.00 -0.96 0.00 0.00 56.93 57.13 3d3s s PHE 57 Cb -0.04 0.19 0.02 0.00 -0.34 0.00 0.00 43.02 42.84 3d3s s PHE 57 CO 0.01 -0.28 -0.09 0.08 -1.46 0.00 0.00 175.22 173.49 3d3s s VAL 58 N 0.12 0.90 -0.15 3.12 1.01 -0.23 -0.50 120.40 124.68 3d3s s VAL 58 Ca -0.01 -0.32 -0.05 0.00 0.00 0.00 0.00 61.98 61.60 3d3s s VAL 58 Cb -0.03 -0.87 -0.04 0.00 0.00 0.00 0.00 36.38 35.44 3d3s s VAL 58 CO 0.01 0.31 0.03 -0.94 0.00 0.00 0.00 175.10 174.51 3d3s s SER 59 N 0.94 5.40 0.14 3.32 1.04 -0.19 -2.15 113.70 122.20 3d3s s SER 59 Ca -0.10 0.08 -0.21 0.00 0.48 0.00 0.00 55.95 56.19 3d3s s SER 59 Cb -0.15 -1.81 0.06 0.00 0.10 0.00 0.00 66.02 64.22 3d3s s SER 59 CO 0.00 0.24 0.55 0.00 0.98 0.00 0.00 173.24 175.01 3d3s s ALA 60 N -0.05 -1.42 0.07 5.32 0.00 -1.24 -0.24 121.76 124.22 3d3s s ALA 60 Ca 0.05 0.38 -0.25 0.00 0.00 0.00 0.00 51.96 52.14 3d3s s ALA 60 Cb -0.12 0.78 0.07 0.00 0.00 0.00 0.00 23.12 23.84 3d3s s ALA 60 CO 0.02 -0.71 0.60 1.52 0.00 0.00 0.00 175.76 177.19 3d3s s TYR 61 N -3.60 -0.54 0.42 0.00 -0.85 -0.36 -4.40 117.35 108.02 3d3s s TYR 61 Ca 0.01 0.59 -0.24 0.00 -0.52 0.00 0.00 57.07 56.91 3d3s s TYR 61 Cb -0.00 0.46 -0.08 0.00 0.38 0.00 0.00 41.96 42.72 3d3s s TYR 61 CO -0.11 -0.73 1.10 -0.51 -1.52 0.00 0.00 175.55 173.78 3d3s s LEU 62 N -2.12 4.11 -0.03 -3.49 1.43 -1.26 -0.62 118.68 116.70 3d3s s LEU 62 Ca -0.04 2.17 -0.30 0.00 -1.03 0.00 0.00 54.13 54.93 3d3s s LEU 62 Cb -0.01 -4.17 -0.03 0.00 0.03 0.00 0.00 46.19 42.01 3d3s s LEU 62 CO -0.04 -0.65 1.15 -0.76 0.23 0.00 0.00 176.35 176.28 3d3s s LEU 63 N -2.73 4.30 0.39 1.79 1.43 -0.75 -4.88 118.68 118.24 3d3s s LEU 63 Ca 0.59 1.80 0.12 0.00 -1.03 0.00 0.00 54.13 55.61 3d3s s LEU 63 Cb -0.25 -3.56 0.93 0.00 0.03 0.00 0.00 46.19 43.33 3d3s s LEU 63 CO 0.31 -0.50 1.90 -0.65 0.23 0.00 0.00 176.35 177.64 3d3s h PRO 64 N 7.20 0.54 0.00 1.29 0.11 -1.93 -2.10 132.00 137.11 3d3s h PRO 64 Ca -0.36 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.72 3d3s h PRO 64 Cb 1.18 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.16 3d3s h PRO 64 CO 0.85 0.36 -0.83 0.25 -0.21 0.00 0.00 178.00 178.42 3d3s n THR 65 N -4.51 0.31 -3.51 -1.15 -2.24 -1.26 -4.48 114.28 97.44 3d3s n THR 65 Ca 0.15 -0.30 -0.28 0.00 -2.27 0.00 0.00 64.05 61.36 3d3s n THR 65 Cb 0.48 -0.03 -0.11 0.00 -2.10 0.00 0.00 70.33 68.57 3d3s n THR 65 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3d3s s ARG 66 N -3.20 0.99 0.07 -0.78 1.81 -0.83 -5.02 118.95 111.99 3d3s s ARG 66 Ca 0.04 -1.95 0.09 0.00 -1.72 0.00 0.00 55.73 52.19 3d3s s ARG 66 Cb 0.13 -1.70 0.42 0.00 -0.45 0.00 0.00 34.95 33.35 3d3s s ARG 66 CO 0.76 -1.29 1.28 -0.35 -0.68 0.00 0.00 175.30 175.02 3d3s n PRO 67 N 3.26 0.04 -0.13 3.54 -0.04 -0.99 -1.80 135.00 138.88 3d3s n PRO 67 Ca 0.20 0.45 0.05 0.00 -0.04 0.00 0.00 63.50 64.15 3d3s n PRO 67 Cb 0.41 -1.60 0.13 0.00 -0.04 0.00 0.00 33.50 32.41 3d3s n PRO 67 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 3d3s n ASP 68 N -1.67 1.40 -4.23 3.54 5.75 -1.26 -4.71 116.55 115.37 3d3s n ASP 68 Ca 0.01 -1.98 -0.33 0.00 -0.01 0.00 0.00 54.79 52.47 3d3s n ASP 68 Cb 0.07 -0.17 -0.15 0.00 -1.03 0.00 0.00 41.12 39.83 3d3s n ASP 68 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 3d3s s VAL 69 N -1.66 2.62 -0.24 2.12 1.01 -0.75 -0.21 120.40 123.30 3d3s s VAL 69 Ca 0.18 -0.77 -0.17 0.00 0.00 0.00 0.00 61.98 61.23 3d3s s VAL 69 Cb 0.10 -2.12 -0.03 0.00 0.00 0.00 0.00 36.38 34.32 3d3s s VAL 69 CO 0.13 0.50 0.46 -0.22 0.00 0.00 0.00 175.10 175.97 3d3s s LEU 70 N 1.10 4.09 -0.25 3.92 2.96 0.09 -1.80 118.68 128.79 3d3s s LEU 70 Ca 0.00 0.50 -0.11 0.00 -0.22 0.00 0.00 54.13 54.30 3d3s s LEU 70 Cb -0.14 -2.58 -0.05 0.00 0.50 0.00 0.00 46.19 43.91 3d3s s LEU 70 CO -0.05 -0.19 0.16 0.12 -1.32 0.00 0.00 176.35 175.07 3d3s s PHE 71 N 1.89 3.30 -0.29 5.38 5.36 0.21 -1.15 117.98 132.69 3d3s s PHE 71 Ca 0.20 0.21 -0.11 0.00 -0.96 0.00 0.00 56.93 56.27 3d3s s PHE 71 Cb -0.15 -2.28 -0.04 0.00 -0.34 0.00 0.00 43.02 40.20 3d3s s PHE 71 CO 0.09 0.03 0.18 0.08 -1.46 0.00 0.00 175.22 174.15 3d3s s VAL 72 N 1.15 5.13 0.00 3.12 1.01 0.15 -1.22 120.40 129.74 3d3s s VAL 72 Ca 0.07 0.01 0.00 0.00 0.00 0.00 0.00 61.98 62.07 3d3s s VAL 72 Cb -0.14 -3.49 0.00 0.00 0.00 0.00 0.00 36.38 32.76 3d3s s VAL 72 CO 0.05 0.20 0.00 1.87 0.00 0.00 0.00 175.10 177.22 3d3s n TRP 73 N 5.05 0.00 -4.62 5.22 -0.00 0.67 -4.38 117.44 119.38 3d3s n TRP 73 Ca -0.14 0.00 -0.23 0.00 -0.00 0.00 0.00 57.50 57.13 3d3s n TRP 73 Cb 0.51 -0.31 -0.14 0.00 -0.00 0.00 0.00 31.31 31.37 3d3s n TRP 73 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 177.69 177.04 3d3s s GLN 74 N -0.84 1.23 -0.17 5.87 -0.21 -1.18 -4.87 119.66 119.49 3d3s s GLN 74 Ca 0.00 -0.72 0.01 0.00 0.02 0.00 0.00 55.36 54.67 3d3s s GLN 74 Cb 0.00 -1.24 0.03 0.00 1.00 0.00 0.00 33.01 32.80 3d3s s GLN 74 CO 0.00 0.33 -0.14 0.14 -2.12 0.00 0.00 175.29 173.50 3d3s s VAL 75 N -0.61 1.69 -0.17 1.09 -7.23 -1.26 -1.02 120.40 112.89 3d3s s VAL 75 Ca 0.05 -0.83 -0.01 0.00 -1.81 0.00 0.00 61.98 59.38 3d3s s VAL 75 Cb -0.07 -1.64 -0.01 0.00 0.56 0.00 0.00 36.38 35.22 3d3s s VAL 75 CO 0.01 0.36 -0.12 0.00 -0.31 0.00 0.00 175.10 175.03 3d3s s ALA 76 N 1.42 2.60 -0.10 1.32 0.00 0.35 -4.99 121.76 122.37 3d3s s ALA 76 Ca 0.03 -1.04 -0.00 0.00 0.00 0.00 0.00 51.96 50.94 3d3s s ALA 76 Cb -0.14 -1.34 0.02 0.00 0.00 0.00 0.00 23.12 21.66 3d3s s ALA 76 CO -0.10 -0.07 -0.06 0.54 0.00 0.00 0.00 175.76 176.07 3d3s s VAL 77 N 0.88 0.87 0.47 0.00 0.11 -1.26 -1.38 120.40 120.09 3d3s s VAL 77 Ca -0.03 -0.20 -0.23 0.00 -2.93 0.00 0.00 61.98 58.58 3d3s s VAL 77 Cb -0.15 -0.91 -0.07 0.00 -1.53 0.00 0.00 36.38 33.72 3d3s s VAL 77 CO -0.00 0.34 1.26 -2.28 -3.33 0.00 0.00 175.10 171.08 3d3s s HIS 78 N 1.66 2.69 0.42 1.54 2.46 -0.36 -4.90 115.29 118.82 3d3s s HIS 78 Ca 0.03 1.45 0.20 0.00 0.47 0.00 0.00 55.06 57.21 3d3s s HIS 78 Cb -0.13 -3.58 1.14 0.00 -0.13 0.00 0.00 32.58 29.88 3d3s s HIS 78 CO -0.06 -2.06 1.82 0.66 -2.47 0.00 0.00 174.74 172.63 3d3s h SER 79 N 2.07 0.38 0.54 9.88 4.64 -1.91 0.18 113.55 129.33 3d3s h SER 79 Ca -0.50 0.05 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 3d3s h SER 79 Cb 1.26 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 3d3s h SER 79 CO 0.60 0.12 0.00 -2.11 -0.87 0.00 0.00 176.83 174.57 3d3s n ARG 80 N -4.52 0.10 -0.16 4.77 1.85 -1.26 -2.25 116.66 115.19 3d3s n ARG 80 Ca 0.22 0.37 0.08 0.00 -1.00 0.00 0.00 57.85 57.52 3d3s n ARG 80 Cb 0.81 -1.71 0.16 0.00 -1.05 0.00 0.00 32.46 30.67 3d3s n ARG 80 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3d3s n ALA 81 N -1.65 2.32 -1.05 2.89 0.00 0.64 -5.02 120.51 118.64 3d3s n ALA 81 Ca 0.02 -1.00 -0.31 0.00 0.00 0.00 0.00 53.44 52.16 3d3s n ALA 81 Cb 0.18 -0.57 0.13 0.00 0.00 0.00 0.00 19.45 19.19 3d3s n ALA 81 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3d3s s ARG 82 N -1.09 1.51 -0.81 0.00 1.81 -0.96 -3.92 118.95 115.50 3d3s s ARG 82 Ca 0.27 1.18 0.00 0.00 -1.72 0.00 0.00 55.73 55.46 3d3s s ARG 82 Cb 0.15 -1.81 0.00 0.00 -0.45 0.00 0.00 34.95 32.84 3d3s s ARG 82 CO 0.21 -2.17 0.00 0.41 -0.68 0.00 0.00 175.30 173.07 3d3s n GLY 83 N -0.69 0.16 0.00 -3.53 0.00 -1.26 -4.89 105.19 94.97 3d3s n GLY 83 Ca 0.09 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.59 3d3s n GLY 83 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3d3s n HIS 84 N -3.82 0.00 -4.35 1.61 8.25 -1.25 -5.00 115.22 110.66 3d3s n HIS 84 Ca -0.11 -0.28 -0.33 0.00 -0.26 0.00 0.00 57.72 56.74 3d3s n HIS 84 Cb 0.54 -0.03 -0.09 0.00 1.12 0.00 0.00 29.99 31.53 3d3s n HIS 84 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 3d3s n ARG 85 N -0.28 -1.01 -0.25 -0.41 1.74 -1.26 -4.86 116.66 110.33 3d3s n ARG 85 Ca 0.00 0.12 -0.06 0.00 -0.77 0.00 0.00 57.85 57.13 3d3s n ARG 85 Cb 0.31 -3.87 0.07 0.00 -1.02 0.00 0.00 32.46 27.95 3d3s n ARG 85 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 3d3s h LEU 86 N -1.60 1.06 -0.70 0.55 5.85 -1.95 -2.34 115.31 116.19 3d3s h LEU 86 Ca -0.65 -0.21 0.02 0.00 0.84 0.00 0.00 57.88 57.88 3d3s h LEU 86 Cb 1.40 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 42.11 3d3s h LEU 86 CO 0.75 1.00 0.45 1.23 -0.34 0.00 0.00 178.44 181.53 3d3s h GLY 87 N 1.09 0.99 1.02 3.75 0.00 -1.94 -2.71 103.07 105.28 3d3s h GLY 87 Ca 0.23 -0.35 -0.10 0.00 0.00 0.00 0.00 47.33 47.10 3d3s h GLY 87 CO -0.00 0.33 -0.15 -0.09 0.00 0.00 0.00 176.54 176.63 3d3s h ARG 88 N 0.91 0.84 -0.69 4.80 2.43 -1.81 -1.84 114.38 119.03 3d3s h ARG 88 Ca 0.26 -0.34 0.00 0.00 -0.81 0.00 0.00 59.98 59.09 3d3s h ARG 88 Cb -0.06 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.45 3d3s h ARG 88 CO -0.08 0.98 0.00 0.00 -1.51 0.00 0.00 179.97 179.36 3d3s n ALA 89 N -2.47 1.24 0.00 2.80 0.00 -0.89 -1.32 120.51 119.86 3d3s n ALA 89 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 3d3s n ALA 89 Cb 0.40 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.85 3d3s n ALA 89 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3d3s n LEU 91 N 0.64 0.00 -0.25 0.00 4.77 -0.69 -1.43 117.00 120.05 3d3s n LEU 91 Ca 0.00 0.00 0.03 0.00 -0.03 0.00 0.00 56.01 56.01 3d3s n LEU 91 Cb 0.02 0.00 0.16 0.00 -2.33 0.00 0.00 43.42 41.27 3d3s n LEU 91 CO 0.00 0.00 1.04 1.23 -1.33 0.00 0.00 177.39 178.33 3d3s h GLY 92 N 0.00 1.09 0.98 -0.72 0.00 -1.47 -0.97 103.07 101.98 3d3s h GLY 92 Ca 0.00 -0.18 -0.01 0.00 0.00 0.00 0.00 47.33 47.14 3d3s h GLY 92 CO 0.00 -0.02 0.27 0.84 0.00 0.00 0.00 176.54 177.63 3d3s h HIS 93 N 0.51 0.73 -0.42 5.60 -0.00 -1.49 -2.15 115.15 117.93 3d3s h HIS 93 Ca 0.38 -0.03 0.04 0.00 -0.00 0.00 0.00 60.37 60.76 3d3s h HIS 93 Cb 0.49 -0.23 -0.04 0.00 -0.00 0.00 0.00 27.41 27.63 3d3s h HIS 93 CO -0.14 0.55 0.20 0.82 -0.00 0.00 0.00 177.93 179.36 3d3s h ILE 94 N 0.69 0.96 0.00 6.26 2.04 -1.72 -3.03 117.51 122.71 3d3s h ILE 94 Ca 0.18 -0.14 -0.00 0.00 1.00 0.00 0.00 64.86 65.90 3d3s h ILE 94 Cb 0.08 0.52 -0.00 0.00 -0.74 0.00 0.00 36.82 36.68 3d3s h ILE 94 CO -0.03 0.07 -0.01 -0.07 0.00 0.00 0.00 178.15 178.12 3d3s h LEU 95 N 0.40 0.00 -0.21 1.44 3.38 -0.80 -2.37 115.31 117.15 3d3s h LEU 95 Ca 0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.15 3d3s h LEU 95 Cb 0.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.85 3d3s h LEU 95 CO -0.14 0.01 -0.19 -0.62 0.09 0.00 0.00 178.44 177.59 3d3s n GLU 96 N -3.11 0.51 -2.52 1.13 1.02 -0.84 -4.70 120.64 112.12 3d3s n GLU 96 Ca -0.00 -0.21 -0.34 0.00 -0.02 0.00 0.00 57.16 56.59 3d3s n GLU 96 Cb 0.26 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.15 3d3s n GLU 96 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 3d3s s ARG 97 N -2.64 3.77 0.34 3.49 0.52 -0.89 -4.96 118.95 118.58 3d3s s ARG 97 Ca 0.23 1.39 0.11 0.00 -0.52 0.00 0.00 55.73 56.94 3d3s s ARG 97 Cb 0.19 -2.10 0.90 0.00 0.52 0.00 0.00 34.95 34.47 3d3s s ARG 97 CO 0.53 -0.46 1.77 0.37 0.02 0.00 0.00 175.30 177.52 3d3s h GLN 98 N 1.55 0.57 0.00 3.54 4.15 -1.91 0.64 115.11 123.66 3d3s h GLN 98 Ca -0.50 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 58.89 3d3s h GLN 98 Cb 1.22 -0.13 0.00 0.00 0.21 0.00 0.00 27.48 28.79 3d3s h GLN 98 CO 0.59 0.38 0.00 0.93 -1.93 0.00 0.00 178.83 178.80 3d3s h GLU 99 N 0.59 0.00 -0.51 1.69 3.07 -1.92 -2.61 114.58 114.89 3d3s h GLU 99 Ca 0.59 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.45 3d3s h GLU 99 Cb 1.17 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.08 3d3s h GLU 99 CO -0.37 0.00 0.00 0.00 -1.40 0.00 0.00 179.01 177.24 3d3s h ARG 101 N 3.05 0.00 -0.48 0.00 0.11 -1.37 -1.92 114.38 113.77 3d3s h ARG 101 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 3d3s h ARG 101 Cb 0.96 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.04 3d3s h ARG 101 CO 0.05 0.00 0.00 0.72 0.10 0.00 0.00 179.97 180.84 3d3s n HIS 102 N -4.32 0.63 -2.18 4.08 8.25 -1.26 -4.97 115.22 115.45 3d3s n HIS 102 Ca 0.08 -0.36 -0.42 0.00 -0.26 0.00 0.00 57.72 56.75 3d3s n HIS 102 Cb 0.54 -0.01 -0.03 0.00 1.12 0.00 0.00 29.99 31.61 3d3s n HIS 102 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3d3s s VAL 103 N -1.19 3.58 -0.05 1.59 1.01 -0.72 -4.57 120.40 120.04 3d3s s VAL 103 Ca 0.38 1.00 0.00 0.00 0.00 0.00 0.00 61.98 63.36 3d3s s VAL 103 Cb 0.21 -3.64 0.01 0.00 0.00 0.00 0.00 36.38 32.96 3d3s s VAL 103 CO 0.28 0.01 0.72 0.54 0.00 0.00 0.00 175.10 176.64 3d3s n ARG 104 N 5.25 0.65 -3.65 2.72 1.74 0.71 -4.69 116.66 119.40 3d3s n ARG 104 Ca 0.13 -0.93 -0.14 0.00 -0.77 0.00 0.00 57.85 56.14 3d3s n ARG 104 Cb 0.43 -1.01 -0.08 0.00 -1.02 0.00 0.00 32.46 30.78 3d3s n ARG 104 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 3d3s s HIS 105 N -0.43 -0.73 0.01 -1.55 5.04 -0.99 -2.98 115.29 113.67 3d3s s HIS 105 Ca 0.01 1.77 0.05 0.00 -1.54 0.00 0.00 55.06 55.34 3d3s s HIS 105 Cb 0.00 0.25 -0.03 0.00 0.04 0.00 0.00 32.58 32.84 3d3s s HIS 105 CO 0.01 -0.35 -0.11 -0.51 -2.34 0.00 0.00 174.74 171.43 3d3s s LEU 106 N 0.33 2.95 0.03 8.88 1.43 0.54 -0.73 118.68 132.10 3d3s s LEU 106 Ca -0.00 -0.24 0.03 0.00 -1.03 0.00 0.00 54.13 52.88 3d3s s LEU 106 Cb -0.05 -1.70 -0.02 0.00 0.03 0.00 0.00 46.19 44.46 3d3s s LEU 106 CO 0.01 0.28 -0.09 -1.61 0.23 0.00 0.00 176.35 175.17 3d3s s GLU 107 N -1.38 0.60 0.30 1.70 2.02 -0.30 -0.68 118.70 120.97 3d3s s GLU 107 Ca 0.16 -0.57 -0.15 0.00 0.02 0.00 0.00 54.97 54.43 3d3s s GLU 107 Cb -0.11 -0.51 0.02 0.00 0.10 0.00 0.00 34.13 33.63 3d3s s GLU 107 CO 0.06 0.12 0.62 -0.08 0.02 0.00 0.00 175.26 176.01 3d3s s THR 108 N -0.82 0.00 0.12 3.63 -1.32 -0.95 -0.67 115.64 115.63 3d3s s THR 108 Ca -0.03 -1.21 0.09 0.00 -1.21 0.00 0.00 61.69 59.33 3d3s s THR 108 Cb -0.07 -2.33 -0.04 0.00 -1.51 0.00 0.00 72.50 68.56 3d3s s THR 108 CO 0.00 0.00 -0.18 0.42 -2.21 0.00 0.00 174.62 172.66 3d3s s THR 109 N -3.52 2.85 -0.08 5.08 -4.23 -1.26 -0.76 115.64 113.71 3d3s s THR 109 Ca 0.18 -1.54 0.02 0.00 -1.18 0.00 0.00 61.69 59.18 3d3s s THR 109 Cb -0.03 -2.32 0.01 0.00 1.34 0.00 0.00 72.50 71.50 3d3s s THR 109 CO 0.10 0.07 -0.15 0.68 -0.54 0.00 0.00 174.62 174.78 3d3s s VAL 110 N -1.21 1.43 0.00 2.29 -7.23 -1.26 -4.95 120.40 109.47 3d3s s VAL 110 Ca 0.19 -0.64 0.00 0.00 -1.81 0.00 0.00 61.98 59.72 3d3s s VAL 110 Cb -0.10 -1.28 0.00 0.00 0.56 0.00 0.00 36.38 35.55 3d3s s VAL 110 CO 0.10 0.42 0.00 0.61 -0.31 0.00 0.00 175.10 175.93 3d3s n GLY 111 N 3.86 3.42 0.38 2.32 0.00 -1.26 -4.43 105.19 109.47 3d3s n GLY 111 Ca -0.21 -0.42 0.20 0.00 0.00 0.00 0.00 46.02 45.59 3d3s n GLY 111 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3d3s h PRO 112 N 0.00 0.00 -0.01 1.61 0.11 -1.97 -2.07 132.00 129.67 3d3s h PRO 112 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 3d3s h PRO 112 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 3d3s h PRO 112 CO 0.00 0.00 -0.38 -0.40 -0.21 0.00 0.00 178.00 177.01 3d3s n ASP 113 N -4.37 1.02 -2.69 -2.05 5.68 -1.26 -4.54 116.55 108.34 3d3s n ASP 113 Ca 0.09 -0.82 -0.04 0.00 -0.50 0.00 0.00 54.79 53.52 3d3s n ASP 113 Cb 0.58 0.25 0.12 0.00 -1.14 0.00 0.00 41.12 40.93 3d3s n ASP 113 CO 0.00 0.00 0.00 -0.46 -1.33 0.00 0.00 177.20 175.41 3d3s n ASN 114 N -0.82 -1.60 0.19 -1.12 6.94 -0.79 -2.76 115.26 115.30 3d3s n ASN 114 Ca 0.10 -2.33 0.05 0.00 -0.02 0.00 0.00 54.58 52.38 3d3s n ASN 114 Cb 0.36 0.81 0.48 0.00 -2.36 0.00 0.00 39.78 39.07 3d3s n ASN 114 CO 0.00 0.00 0.00 1.56 -1.03 0.00 0.00 177.26 177.79 3d3s h GLN 115 N 1.48 0.09 0.00 -3.83 1.08 -1.77 -2.54 115.11 109.63 3d3s h GLN 115 Ca -0.37 -0.02 -0.03 0.00 -1.45 0.00 0.00 58.65 56.79 3d3s h GLN 115 Cb 1.30 -0.02 -0.00 0.00 -0.05 0.00 0.00 27.48 28.71 3d3s h GLN 115 CO -0.13 0.22 -0.14 0.00 -0.95 0.00 0.00 178.83 177.84 3d3s h ALA 116 N 1.79 1.14 -1.22 3.87 0.00 -1.92 -2.39 119.26 120.53 3d3s h ALA 116 Ca 0.02 -0.12 0.37 0.00 0.00 0.00 0.00 54.91 55.18 3d3s h ALA 116 Cb 0.28 -0.02 -0.11 0.00 0.00 0.00 0.00 17.79 17.94 3d3s h ALA 116 CO 0.02 0.17 0.79 0.77 0.00 0.00 0.00 179.25 181.00 3d3s h SER 117 N 0.00 0.30 -0.92 0.00 0.02 -1.83 -3.08 113.55 108.03 3d3s h SER 117 Ca -0.00 0.11 -0.01 0.00 -0.84 0.00 0.00 61.79 61.05 3d3s h SER 117 Cb 0.47 0.08 -0.04 0.00 0.14 0.00 0.00 62.40 63.05 3d3s h SER 117 CO 0.02 -0.08 0.54 0.03 -1.14 0.00 0.00 176.83 176.20 3d3s h ARG 118 N 0.19 1.26 -0.32 3.45 3.08 -1.61 -1.98 114.38 118.46 3d3s h ARG 118 Ca 0.73 -0.12 0.04 0.00 0.07 0.00 0.00 59.98 60.70 3d3s h ARG 118 Cb 2.20 -0.26 -0.04 0.00 0.08 0.00 0.00 29.97 31.94 3d3s h ARG 118 CO -0.35 0.90 0.07 0.00 -1.07 0.00 0.00 179.97 179.52 3d3s h ARG 119 N 1.28 0.19 -0.38 0.04 2.47 -1.77 -1.10 114.38 115.10 3d3s h ARG 119 Ca 0.33 -0.01 0.03 0.00 -1.26 0.00 0.00 59.98 59.07 3d3s h ARG 119 Cb -0.03 -0.04 -0.03 0.00 -1.65 0.00 0.00 29.97 28.21 3d3s h ARG 119 CO -0.06 0.12 0.18 1.15 0.56 0.00 0.00 179.97 181.92 3d3s h THR 120 N 0.19 0.96 -0.11 2.04 2.02 -1.54 0.18 112.91 116.65 3d3s h THR 120 Ca 0.15 -0.13 -0.18 0.00 0.77 0.00 0.00 66.41 67.02 3d3s h THR 120 Cb 0.16 0.56 -0.00 0.00 -1.74 0.00 0.00 68.15 67.12 3d3s h THR 120 CO -0.19 0.07 -0.69 -0.26 0.37 0.00 0.00 175.52 174.82 3d3s h PHE 121 N 0.37 0.61 -0.75 3.16 0.04 -1.03 -1.48 116.94 117.86 3d3s h PHE 121 Ca 0.17 -0.26 -0.06 0.00 2.80 0.00 0.00 57.97 60.62 3d3s h PHE 121 Cb 0.09 -0.10 -0.03 0.00 2.20 0.00 0.00 35.95 38.11 3d3s h PHE 121 CO -0.11 1.01 0.23 0.00 -0.60 0.00 0.00 178.31 178.84 3d3s h ALA 122 N 0.92 1.00 0.30 2.45 0.00 -1.10 -0.05 119.26 122.77 3d3s h ALA 122 Ca -0.02 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 3d3s h ALA 122 Cb 1.26 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.77 3d3s h ALA 122 CO 0.12 0.67 -0.14 0.78 0.00 0.00 0.00 179.25 180.68 3d3s h GLY 123 N 1.12 -0.42 0.13 0.00 0.00 -0.75 0.17 103.07 103.33 3d3s h GLY 123 Ca 0.24 0.15 0.06 0.00 0.00 0.00 0.00 47.33 47.78 3d3s h GLY 123 CO -0.01 -0.15 -0.28 -2.00 0.00 0.00 0.00 176.54 174.10 3d3s h LEU 124 N -0.40 -0.90 -1.02 3.11 5.85 -1.19 -0.24 115.31 120.53 3d3s h LEU 124 Ca -0.04 0.15 0.13 0.00 0.84 0.00 0.00 57.88 58.96 3d3s h LEU 124 Cb 0.31 0.40 -0.09 0.00 0.37 0.00 0.00 40.66 41.65 3d3s h LEU 124 CO 0.07 -0.32 0.63 0.00 -0.34 0.00 0.00 178.44 178.48 3d3s h ALA 125 N 0.62 1.57 -0.54 1.25 0.00 -0.82 -1.64 119.26 119.70 3d3s h ALA 125 Ca 0.12 0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.96 3d3s h ALA 125 Cb 0.50 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 3d3s h ALA 125 CO -0.38 0.16 -0.06 0.78 0.00 0.00 0.00 179.25 179.75 3d3s h GLY 126 N 0.94 1.08 2.00 0.00 0.00 0.01 0.81 103.07 107.91 3d3s h GLY 126 Ca 0.51 -0.84 0.00 0.00 0.00 0.00 0.00 47.33 47.00 3d3s h GLY 126 CO -0.28 0.77 0.00 0.83 0.00 0.00 0.00 176.54 177.86 3d3s h GLU 127 N 0.87 0.00 0.00 4.80 5.08 -0.16 -3.25 114.58 121.92 3d3s h GLU 127 Ca 0.15 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.50 3d3s h GLU 127 Cb 0.62 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.86 3d3s h GLU 127 CO 0.04 0.00 -0.11 0.54 -1.00 0.00 0.00 179.01 178.48 3d3s n ARG 128 N -2.59 1.21 -4.06 2.33 1.74 -0.86 -4.99 116.66 109.43 3d3s n ARG 128 Ca 0.01 -2.55 -0.32 0.00 -0.77 0.00 0.00 57.85 54.22 3d3s n ARG 128 Cb 0.25 -1.42 -0.01 0.00 -1.02 0.00 0.00 32.46 30.26 3d3s n ARG 128 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3d3s n GLY 129 N -1.27 -0.41 3.71 -0.13 0.00 -0.91 -4.87 105.19 101.32 3d3s n GLY 129 Ca 0.15 0.15 -0.28 0.00 0.00 0.00 0.00 46.02 46.04 3d3s n GLY 129 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d3s s ALA 130 N -3.44 3.64 0.19 4.61 0.00 0.23 -4.72 121.76 122.27 3d3s s ALA 130 Ca 0.55 -1.66 0.09 0.00 0.00 0.00 0.00 51.96 50.94 3d3s s ALA 130 Cb -0.29 -0.10 -0.04 0.00 0.00 0.00 0.00 23.12 22.69 3d3s s ALA 130 CO 0.89 -0.14 -0.19 -1.01 0.00 0.00 0.00 175.76 175.32 3d3s s HIS 131 N -2.73 1.94 -0.21 0.00 3.76 0.61 -4.32 115.29 114.34 3d3s s HIS 131 Ca 0.29 -0.45 -0.07 0.00 -0.15 0.00 0.00 55.06 54.68 3d3s s HIS 131 Cb 0.05 -0.93 -0.04 0.00 1.11 0.00 0.00 32.58 32.77 3d3s s HIS 131 CO 0.16 0.42 0.07 0.08 -0.85 0.00 0.00 174.74 174.62 3d3s s VAL 132 N -2.23 4.57 -0.02 -0.90 1.01 -1.26 -2.39 120.40 119.17 3d3s s VAL 132 Ca 0.20 -0.10 0.06 0.00 0.00 0.00 0.00 61.98 62.14 3d3s s VAL 132 Cb -0.05 -3.09 -0.01 0.00 0.00 0.00 0.00 36.38 33.22 3d3s s VAL 132 CO 0.08 0.40 -0.19 -0.44 0.00 0.00 0.00 175.10 174.95 3d3s s SER 133 N 0.96 2.28 0.19 3.32 0.01 -0.19 -4.97 113.70 115.30 3d3s s SER 133 Ca 0.04 -0.36 0.11 0.00 1.31 0.00 0.00 55.95 57.05 3d3s s SER 133 Cb -0.14 -0.35 -0.04 0.00 0.21 0.00 0.00 66.02 65.70 3d3s s SER 133 CO 0.03 0.22 -0.22 -1.83 0.41 0.00 0.00 173.24 171.84 3d3s s GLU 134 N -0.34 1.45 -0.09 12.44 -1.05 -1.26 -0.24 118.70 129.61 3d3s s GLU 134 Ca 0.05 -1.49 -0.17 0.00 -0.15 0.00 0.00 54.97 53.20 3d3s s GLU 134 Cb -0.09 -1.71 0.04 0.00 -0.44 0.00 0.00 34.13 31.94 3d3s s GLU 134 CO 0.00 0.36 0.42 -1.14 0.95 0.00 0.00 175.26 175.86 3d3s s GLN 135 N -2.70 0.66 0.23 -4.83 0.74 -0.37 -4.98 119.66 108.40 3d3s s GLN 135 Ca 0.19 0.24 -0.32 0.00 0.05 0.00 0.00 55.36 55.52 3d3s s GLN 135 Cb -0.07 0.31 -0.13 0.00 1.10 0.00 0.00 33.01 34.21 3d3s s GLN 135 CO 0.09 -0.15 1.46 -2.30 -0.55 0.00 0.00 175.29 173.84 3d3s n PRO 136 N 1.93 2.10 -0.01 1.67 -0.02 -1.26 0.47 135.00 139.88 3d3s n PRO 136 Ca -0.17 0.75 -0.15 0.00 -2.02 0.00 0.00 63.50 61.90 3d3s n PRO 136 Cb 0.57 -2.44 -0.04 0.00 -0.02 0.00 0.00 33.50 31.57 3d3s n PRO 136 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 3d3s h PHE 137 N 4.62 0.95 -3.00 6.00 3.57 -1.43 -3.42 116.94 124.23 3d3s h PHE 137 Ca -0.45 -0.41 -0.61 0.00 3.53 0.00 0.00 57.97 60.03 3d3s h PHE 137 Cb 1.27 -0.15 -0.05 0.00 2.79 0.00 0.00 35.95 39.81 3d3s h PHE 137 CO 0.58 1.23 -0.29 -0.06 -2.23 0.00 0.00 178.31 177.53 3d3s s PHE 138 N -3.76 3.62 0.87 0.41 0.08 -1.26 -4.97 117.98 112.96 3d3s s PHE 138 Ca -0.09 0.76 -0.13 0.00 0.12 0.00 0.00 56.93 57.59 3d3s s PHE 138 Cb 0.09 -2.13 0.14 0.00 -0.57 0.00 0.00 43.02 40.55 3d3s s PHE 138 CO 0.89 0.59 1.22 0.16 -0.10 0.00 0.00 175.22 177.97 3d3s s ASP 139 N -1.54 3.85 0.00 1.36 1.47 -1.26 -4.98 116.67 115.58 3d3s s ASP 139 Ca 0.28 0.41 0.19 0.00 1.18 0.00 0.00 52.55 54.62 3d3s s ASP 139 Cb -0.14 -0.70 0.89 0.00 -0.34 0.00 0.00 42.92 42.63 3d3s s ASP 139 CO 0.15 -2.27 1.61 -2.11 0.68 0.00 0.00 175.17 173.23 3d3s n ARG 140 N -3.46 0.13 0.10 2.11 0.00 -1.26 -2.45 116.66 111.84 3d3s n ARG 140 Ca 0.12 0.14 0.12 0.00 -0.00 0.00 0.00 57.85 58.23 3d3s n ARG 140 Cb 0.60 -1.50 0.03 0.00 -0.00 0.00 0.00 32.46 31.59 3d3s n ARG 140 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.63 179.59 3d3s h GLN 141 N 0.00 0.00 -7.02 2.89 4.20 -2.05 -3.47 115.11 109.66 3d3s h GLN 141 Ca 0.00 0.00 -0.55 0.00 0.06 0.00 0.00 58.65 58.16 3d3s h GLN 141 Cb 0.26 0.00 0.13 0.00 0.30 0.00 0.00 27.48 28.17 3d3s h GLN 141 CO 0.00 0.00 0.66 0.00 -0.67 0.00 0.00 178.83 178.82 3d3s s ALA 142 N -3.33 3.02 0.00 3.87 0.00 -1.03 -5.27 121.76 119.03 3d3s s ALA 142 Ca 0.01 1.43 0.00 0.00 0.00 0.00 0.00 51.96 53.39 3d3s s ALA 142 Cb 0.10 -3.59 0.00 0.00 0.00 0.00 0.00 23.12 19.63 3d3s s ALA 142 CO 0.78 -1.33 0.00 1.19 0.00 0.00 0.00 175.76 176.39 3d3s n PHE 143 N -0.66 0.00 -4.47 0.00 3.01 -1.26 -5.02 117.46 109.06 3d3s n PHE 143 Ca 0.08 0.00 -0.32 0.00 1.01 0.00 0.00 57.45 58.22 3d3s n PHE 143 Cb 0.43 0.00 -0.16 0.00 -0.01 0.00 0.00 39.48 39.74 3d3s n PHE 143 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 3d3s s ASP 150 N -4.00 3.03 0.08 4.37 2.15 -1.26 -5.20 116.67 115.84 3d3s s ASP 150 Ca 0.00 -0.59 -0.11 0.00 0.43 0.00 0.00 52.55 52.28 3d3s s ASP 150 Cb 0.00 -1.40 -0.06 0.00 -0.30 0.00 0.00 42.92 41.16 3d3s s ASP 150 CO 0.00 0.05 0.42 -1.61 -0.17 0.00 0.00 175.17 173.86 3d3s s GLU 151 N 0.99 3.80 -0.04 4.34 2.02 -1.26 -4.72 118.70 123.83 3d3s s GLU 151 Ca -0.03 0.23 -0.01 0.00 0.02 0.00 0.00 54.97 55.18 3d3s s GLU 151 Cb -0.15 -3.00 0.03 0.00 0.10 0.00 0.00 34.13 31.11 3d3s s GLU 151 CO -0.05 0.56 0.01 -1.17 0.02 0.00 0.00 175.26 174.63 3d3s s LEU 153 N -1.86 0.81 -0.15 1.80 2.96 0.18 -1.00 118.68 121.41 3d3s s LEU 153 Ca 0.33 -0.01 -0.08 0.00 -0.22 0.00 0.00 54.13 54.15 3d3s s LEU 153 Cb -0.14 -0.25 -0.04 0.00 0.50 0.00 0.00 46.19 46.26 3d3s s LEU 153 CO 0.18 -0.16 0.13 -0.76 -1.32 0.00 0.00 176.35 174.42 3d3s s LEU 154 N 1.49 4.28 -0.08 -0.68 1.02 0.06 -1.24 118.68 123.53 3d3s s LEU 154 Ca -0.03 0.37 0.04 0.00 0.02 0.00 0.00 54.13 54.53 3d3s s LEU 154 Cb -0.13 -2.06 -0.00 0.00 0.02 0.00 0.00 46.19 44.02 3d3s s LEU 154 CO -0.03 0.33 -0.23 -0.13 0.02 0.00 0.00 176.35 176.31 3d3s s ARG 155 N -0.53 2.70 -0.09 1.70 0.52 0.67 -2.23 118.95 121.69 3d3s s ARG 155 Ca 0.12 -0.82 0.01 0.00 -0.52 0.00 0.00 55.73 54.52 3d3s s ARG 155 Cb -0.12 -2.12 0.02 0.00 0.52 0.00 0.00 34.95 33.25 3d3s s ARG 155 CO 0.02 0.22 -0.09 0.42 0.02 0.00 0.00 175.30 175.89 3d3s s ILE 156 N 0.23 0.98 0.00 1.52 1.09 0.15 -1.02 121.20 124.15 3d3s s ILE 156 Ca -0.14 -0.32 0.00 0.00 -1.10 0.00 0.00 60.65 59.09 3d3s s ILE 156 Cb -0.16 -0.97 0.00 0.00 -1.06 0.00 0.00 42.46 40.27 3d3s s ILE 156 CO 0.07 0.34 0.00 0.61 -0.10 0.00 0.00 174.94 175.86 3d3s n GLY 157 N 4.43 0.33 3.99 6.18 0.00 -1.01 -0.34 105.19 118.78 3d3s n GLY 157 Ca -0.17 -0.95 -0.21 0.00 0.00 0.00 0.00 46.02 44.68 3d3s n GLY 157 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3d3s s PRO 158 N -2.00 2.25 0.00 1.61 0.04 -1.26 -0.28 135.00 135.36 3d3s s PRO 158 Ca 0.00 -1.02 0.04 0.00 0.04 0.00 0.00 61.00 60.06 3d3s s PRO 158 Cb 0.00 -2.48 0.03 0.00 0.04 0.00 0.00 34.50 32.10 3d3s s PRO 158 CO 0.00 -0.94 0.63 1.19 0.04 0.00 0.00 177.00 177.92