#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 3.53 -0.28 -0.14 2.02 -1.26 -4.27 117.35 116.95 3d3s s TYR 2 Ca 0.00 0.35 -0.14 0.00 -0.37 0.00 0.00 57.07 56.90 3d3s s TYR 2 Cb 0.00 -1.82 -0.04 0.00 -0.40 0.00 0.00 41.96 39.70 3d3s s TYR 2 CO 0.00 0.64 0.34 -1.58 -1.57 0.00 0.00 175.55 173.38 3d3s s HIS 3 N -1.31 3.23 -0.11 2.71 5.65 0.14 -4.88 115.29 120.73 3d3s s HIS 3 Ca 0.27 0.29 -0.18 0.00 0.25 0.00 0.00 55.06 55.69 3d3s s HIS 3 Cb -0.13 -2.55 -0.04 0.00 -1.18 0.00 0.00 32.58 28.68 3d3s s HIS 3 CO 0.18 -0.25 0.46 -0.51 -0.65 0.00 0.00 174.74 173.98 3d3s s LEU 4 N 2.01 4.29 0.17 8.88 1.43 -1.26 -0.96 118.68 133.23 3d3s s LEU 4 Ca 0.13 0.82 -0.16 0.00 -1.03 0.00 0.00 54.13 53.89 3d3s s LEU 4 Cb -0.16 -2.67 0.03 0.00 0.03 0.00 0.00 46.19 43.41 3d3s s LEU 4 CO 0.10 0.03 0.45 0.00 0.23 0.00 0.00 176.35 177.17 3d3s s ARG 5 N 0.47 1.24 0.66 1.70 1.70 -0.69 -5.00 118.95 119.03 3d3s s ARG 5 Ca 0.25 -0.85 -0.17 0.00 -0.47 0.00 0.00 55.73 54.50 3d3s s ARG 5 Cb -0.15 0.49 -0.00 0.00 -0.57 0.00 0.00 34.95 34.71 3d3s s ARG 5 CO 0.10 -0.51 1.21 -2.14 -1.08 0.00 0.00 175.30 172.89 3d3s s PRO 6 N -3.86 2.57 0.67 3.89 0.02 -1.26 -0.46 135.00 136.57 3d3s s PRO 6 Ca 0.08 1.81 -0.13 0.00 0.02 0.00 0.00 61.00 62.78 3d3s s PRO 6 Cb 0.01 -1.88 0.00 0.00 0.02 0.00 0.00 34.50 32.65 3d3s s PRO 6 CO -0.06 -1.52 1.08 -1.25 -0.33 0.00 0.00 177.00 174.92 3d3s s PRO 7 N -3.61 2.89 0.35 5.54 0.04 -1.26 -4.71 135.00 134.23 3d3s s PRO 7 Ca 0.76 1.17 0.06 0.00 0.04 0.00 0.00 61.00 63.04 3d3s s PRO 7 Cb -0.30 -1.98 -0.01 0.00 0.04 0.00 0.00 34.50 32.25 3d3s s PRO 7 CO 0.39 -1.15 0.49 1.03 0.04 0.00 0.00 177.00 177.80 3d3s s ARG 8 N -4.50 3.09 0.32 4.56 0.52 -1.26 -4.84 118.95 116.84 3d3s s ARG 8 Ca 0.62 -1.01 0.09 0.00 -0.52 0.00 0.00 55.73 54.91 3d3s s ARG 8 Cb -0.17 -2.81 0.92 0.00 0.52 0.00 0.00 34.95 33.41 3d3s s ARG 8 CO 0.46 0.02 1.67 0.07 0.02 0.00 0.00 175.30 177.54 3d3s h ARG 9 N 0.85 0.33 -0.36 3.54 -0.00 -1.96 -1.38 114.38 115.40 3d3s h ARG 9 Ca -0.45 -0.02 0.00 0.00 -0.00 0.00 0.00 59.98 59.51 3d3s h ARG 9 Cb 1.26 -0.07 0.00 0.00 -0.00 0.00 0.00 29.97 31.15 3d3s h ARG 9 CO 0.52 0.22 0.00 0.27 -0.00 0.00 0.00 179.97 180.98 3d3s n ASN 10 N -5.08 2.36 0.00 0.08 0.23 -1.26 -4.06 115.26 107.53 3d3s n ASN 10 Ca 0.27 -1.91 0.16 0.00 -0.53 0.00 0.00 54.58 52.57 3d3s n ASN 10 Cb 0.83 -0.24 0.91 0.00 -2.08 0.00 0.00 39.78 39.20 3d3s n ASN 10 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 3d3s n ASP 11 N 0.78 0.00 -0.26 0.53 8.00 -0.52 -4.31 116.55 120.77 3d3s n ASP 11 Ca 0.16 -0.84 -0.02 0.00 0.71 0.00 0.00 54.79 54.80 3d3s n ASP 11 Cb 0.40 -0.05 0.10 0.00 -0.02 0.00 0.00 41.12 41.54 3d3s n ASP 11 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 3d3s h GLY 12 N 4.98 1.07 0.93 0.44 0.00 -1.77 -1.02 103.07 107.70 3d3s h GLY 12 Ca 0.00 -0.33 -0.03 0.00 0.00 0.00 0.00 47.33 46.97 3d3s h GLY 12 CO 0.00 0.26 0.13 0.00 0.00 0.00 0.00 176.54 176.92 3d3s h ALA 13 N 1.33 0.47 -0.77 3.60 0.00 -1.91 -0.56 119.26 121.42 3d3s h ALA 13 Ca 0.31 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 3d3s h ALA 13 Cb 0.08 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 3d3s h ALA 13 CO -0.14 0.10 0.30 0.00 0.00 0.00 0.00 179.25 179.51 3d3s h ALA 14 N 0.97 1.01 -0.44 0.00 0.00 -1.77 -2.07 119.26 116.96 3d3s h ALA 14 Ca 0.12 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.77 3d3s h ALA 14 Cb 0.22 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 3d3s h ALA 14 CO -0.01 0.64 0.06 0.82 0.00 0.00 0.00 179.25 180.76 3d3s h ILE 15 N 1.13 1.25 -0.63 0.00 2.04 -1.05 -1.20 117.51 119.05 3d3s h ILE 15 Ca 0.26 -0.93 0.08 0.00 1.00 0.00 0.00 64.86 65.27 3d3s h ILE 15 Cb 0.23 0.99 -0.06 0.00 -0.74 0.00 0.00 36.82 37.24 3d3s h ILE 15 CO -0.02 0.32 0.30 -0.74 0.00 0.00 0.00 178.15 178.01 3d3s h HIS 16 N 0.60 0.53 0.00 1.37 2.76 -0.93 -0.26 115.15 119.22 3d3s h HIS 16 Ca 0.13 0.03 -0.06 0.00 -2.20 0.00 0.00 60.37 58.27 3d3s h HIS 16 Cb 0.41 -0.15 -0.01 0.00 1.55 0.00 0.00 27.41 29.21 3d3s h HIS 16 CO 0.03 0.21 -0.30 0.37 -1.30 0.00 0.00 177.93 176.94 3d3s h GLN 17 N 0.54 0.00 -0.25 5.26 5.75 -1.26 -1.24 115.11 123.90 3d3s h GLN 17 Ca 0.30 0.00 -0.04 0.00 -0.15 0.00 0.00 58.65 58.76 3d3s h GLN 17 Cb 0.29 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.83 3d3s h GLN 17 CO -0.24 0.30 -0.00 1.25 -2.65 0.00 0.00 178.83 177.49 3d3s h LEU 18 N 0.00 0.44 -0.88 -2.39 5.85 -0.58 -2.13 115.31 115.62 3d3s h LEU 18 Ca -0.00 -0.31 -0.06 0.00 0.84 0.00 0.00 57.88 58.35 3d3s h LEU 18 Cb 0.95 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.83 3d3s h LEU 18 CO 0.04 0.64 0.17 0.58 -0.34 0.00 0.00 178.44 179.53 3d3s h VAL 19 N 0.23 1.25 -0.89 1.05 2.07 -0.82 -1.42 116.25 117.71 3d3s h VAL 19 Ca 0.07 -0.88 0.08 0.00 0.82 0.00 0.00 66.70 66.79 3d3s h VAL 19 Cb 0.42 0.57 -0.07 0.00 -1.52 0.00 0.00 31.29 30.69 3d3s h VAL 19 CO 0.01 0.34 0.55 -1.28 0.02 0.00 0.00 177.57 177.21 3d3s h SER 20 N 0.96 0.84 -0.05 0.57 0.87 -1.15 -1.34 113.55 114.24 3d3s h SER 20 Ca 0.21 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.80 3d3s h SER 20 Cb 0.32 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 62.13 3d3s h SER 20 CO -0.00 0.50 0.00 -0.62 -0.53 0.00 0.00 176.83 176.18 3d3s n GLU 21 N -4.64 1.17 -2.84 2.24 1.02 -0.58 -3.81 120.64 113.21 3d3s n GLU 21 Ca 0.14 -0.26 -0.27 0.00 -0.02 0.00 0.00 57.16 56.75 3d3s n GLU 21 Cb 0.23 -1.26 -0.03 0.00 -0.02 0.00 0.00 31.44 30.36 3d3s n GLU 21 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3d3s n PRO 23 N -0.30 0.98 -0.83 0.00 -0.04 -1.25 -1.94 135.00 131.62 3d3s n PRO 23 Ca 0.33 0.39 -0.06 0.00 -0.04 0.00 0.00 63.50 64.12 3d3s n PRO 23 Cb 0.45 -2.47 0.24 0.00 -0.04 0.00 0.00 33.50 31.68 3d3s n PRO 23 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 3d3s n PRO 24 N -1.94 3.08 -1.72 0.54 -0.04 -1.26 -5.13 135.00 128.54 3d3s n PRO 24 Ca 0.15 -2.43 -0.43 0.00 -0.04 0.00 0.00 63.50 60.76 3d3s n PRO 24 Cb 0.48 -2.02 -0.01 0.00 -0.04 0.00 0.00 33.50 31.91 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 -0.12 3.91 -4.77 1.53 4.77 -0.82 -4.91 117.00 116.59 3d3s n LEU 25 Ca 0.34 1.18 -0.41 0.00 -0.03 0.00 0.00 56.01 57.09 3d3s n LEU 25 Cb 1.21 -1.53 -0.01 0.00 -2.33 0.00 0.00 43.42 40.76 3d3s n LEU 25 CO 0.36 -0.18 1.10 -1.81 -1.33 0.00 0.00 177.39 175.53 3d3s s ASP 26 N 0.11 6.52 -0.47 -1.43 1.01 -1.26 -4.93 116.67 116.22 3d3s s ASP 26 Ca 0.61 2.87 -0.14 0.00 0.71 0.00 0.00 52.55 56.60 3d3s s ASP 26 Cb -0.55 -2.65 0.08 0.00 1.01 0.00 0.00 42.92 40.81 3d3s s ASP 26 CO 0.55 -0.75 0.38 -0.22 0.21 0.00 0.00 175.17 175.34 3d3s s LEU 27 N -1.55 5.59 0.97 1.23 2.96 -1.26 -4.97 118.68 121.66 3d3s s LEU 27 Ca 0.54 -1.42 -0.16 0.00 -0.22 0.00 0.00 54.13 52.87 3d3s s LEU 27 Cb -0.44 -2.15 0.19 0.00 0.50 0.00 0.00 46.19 44.30 3d3s s LEU 27 CO 0.55 -0.65 1.26 0.20 -1.32 0.00 0.00 176.35 176.39 3d3s s ASN 28 N 2.61 3.00 0.72 3.68 0.01 -1.26 -5.00 114.94 118.70 3d3s s ASN 28 Ca 0.04 0.45 -0.14 0.00 -0.71 0.00 0.00 52.86 52.50 3d3s s ASN 28 Cb -0.25 -0.62 0.03 0.00 0.41 0.00 0.00 41.25 40.83 3d3s s ASN 28 CO 0.05 -2.82 1.14 -0.94 -1.51 0.00 0.00 177.10 173.02 3d3s s SER 29 N -4.63 4.54 0.22 -1.22 1.04 -1.26 -4.91 113.70 107.48 3d3s s SER 29 Ca 0.71 2.09 -0.08 0.00 0.48 0.00 0.00 55.95 59.15 3d3s s SER 29 Cb -0.07 -2.56 0.25 0.00 0.10 0.00 0.00 66.02 63.75 3d3s s SER 29 CO 0.53 -2.02 1.83 0.25 0.98 0.00 0.00 173.24 174.81 3d3s h LEU 30 N -0.42 0.68 -1.11 2.42 5.85 -1.96 -1.98 115.31 118.79 3d3s h LEU 30 Ca -0.46 0.02 0.09 0.00 0.84 0.00 0.00 57.88 58.36 3d3s h LEU 30 Cb 1.26 -0.12 -0.07 0.00 0.37 0.00 0.00 40.66 42.10 3d3s h LEU 30 CO 0.51 0.45 0.61 0.22 -0.34 0.00 0.00 178.44 179.89 3d3s h TYR 31 N 0.82 1.07 -0.52 1.25 5.03 -1.96 -0.92 116.97 121.73 3d3s h TYR 31 Ca 0.32 0.03 0.09 0.00 2.58 0.00 0.00 58.73 61.74 3d3s h TYR 31 Cb 0.13 -0.35 -0.07 0.00 1.55 0.00 0.00 36.73 37.99 3d3s h TYR 31 CO -0.05 0.50 0.11 0.00 -1.32 0.00 0.00 178.16 177.40 3d3s h ALA 32 N 1.52 0.59 -0.35 1.82 0.00 -1.71 0.01 119.26 121.14 3d3s h ALA 32 Ca 0.43 0.11 -0.11 0.00 0.00 0.00 0.00 54.91 55.34 3d3s h ALA 32 Cb 0.34 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 3d3s h ALA 32 CO -0.19 -0.30 -0.23 1.88 0.00 0.00 0.00 179.25 180.40 3d3s h TYR 33 N 0.25 0.80 -0.94 0.00 0.05 -1.31 -2.02 116.97 113.80 3d3s h TYR 33 Ca 0.26 -0.18 0.01 0.00 0.05 0.00 0.00 58.73 58.87 3d3s h TYR 33 Cb 0.35 -0.19 -0.05 0.00 1.01 0.00 0.00 36.73 37.86 3d3s h TYR 33 CO -0.23 0.87 0.62 -0.07 -1.05 0.00 0.00 178.16 178.31 3d3s h LEU 34 N 0.61 1.08 -0.69 3.88 3.38 -0.82 -1.82 115.31 120.94 3d3s h LEU 34 Ca 0.09 -0.03 -0.09 0.00 0.09 0.00 0.00 57.88 57.94 3d3s h LEU 34 Cb 0.72 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 3d3s h LEU 34 CO 0.06 0.78 0.03 -0.07 0.09 0.00 0.00 178.44 179.33 3d3s h LEU 35 N 1.27 1.02 -0.62 1.67 3.38 -0.85 -0.14 115.31 121.05 3d3s h LEU 35 Ca 0.35 -0.27 0.04 0.00 0.09 0.00 0.00 57.88 58.08 3d3s h LEU 35 Cb -0.15 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.29 3d3s h LEU 35 CO -0.08 1.05 0.36 -0.07 0.09 0.00 0.00 178.44 179.80 3d3s h LEU 36 N 0.97 0.57 -0.78 1.67 3.38 -1.08 -0.36 115.31 119.67 3d3s h LEU 36 Ca 0.18 0.01 -0.08 0.00 0.09 0.00 0.00 57.88 58.08 3d3s h LEU 36 Cb 0.51 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 3d3s h LEU 36 CO 0.02 0.39 0.01 0.00 0.09 0.00 0.00 178.44 178.96 3d3s h GLU 38 N 0.86 0.82 0.00 0.00 4.57 -0.82 -3.37 114.58 116.65 3d3s h GLU 38 Ca 0.16 -0.62 -0.06 0.00 -1.18 0.00 0.00 59.36 57.66 3d3s h GLU 38 Cb 0.49 0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 29.18 3d3s h GLU 38 CO 0.02 1.23 -1.41 0.72 -1.18 0.00 0.00 179.01 178.40 3d3s n HIS 39 N -3.96 0.00 -1.25 0.92 8.25 -0.16 -4.73 115.22 114.29 3d3s n HIS 39 Ca -0.06 0.00 0.08 0.00 -0.26 0.00 0.00 57.72 57.48 3d3s n HIS 39 Cb 0.71 -0.26 0.13 0.00 1.12 0.00 0.00 29.99 31.69 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 -2.01 0.00 -0.30 4.41 8.25 0.20 -4.83 115.22 120.93 3d3s n HIS 40 Ca -0.06 -0.96 0.05 0.00 -0.26 0.00 0.00 57.72 56.48 3d3s n HIS 40 Cb 0.47 -0.15 0.26 0.00 1.12 0.00 0.00 29.99 31.68 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 0.14 1.55 0.00 -1.41 0.00 -1.65 -1.34 119.26 116.54 3d3s h ALA 41 Ca -0.00 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 3d3s h ALA 41 Cb 1.05 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.59 3d3s h ALA 41 CO 0.00 0.30 -0.01 0.45 0.00 0.00 0.00 179.25 179.99 3d3s h HIS 42 N 0.99 0.00 -0.27 0.00 3.86 -1.90 -2.26 115.15 115.56 3d3s h HIS 42 Ca 0.40 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.61 3d3s h HIS 42 Cb 0.28 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.75 3d3s h HIS 42 CO -0.00 0.01 0.00 0.25 0.86 0.00 0.00 177.93 179.05 3d3s n THR 43 N -3.23 1.00 -4.55 2.45 -2.24 -0.53 -4.90 114.28 102.30 3d3s n THR 43 Ca -0.02 -1.00 -0.26 0.00 -2.27 0.00 0.00 64.05 60.49 3d3s n THR 43 Cb 0.13 0.50 -0.11 0.00 -2.10 0.00 0.00 70.33 68.75 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 -2.63 0.04 0.15 0.00 0.11 -0.73 -4.36 120.40 112.98 3d3s s VAL 45 Ca 0.33 -0.31 0.11 0.00 -2.93 0.00 0.00 61.98 59.18 3d3s s VAL 45 Cb 0.03 -0.55 -0.04 0.00 -1.53 0.00 0.00 36.38 34.29 3d3s s VAL 45 CO 0.16 -0.17 -0.26 0.68 -3.33 0.00 0.00 175.10 172.19 3d3s s VAL 46 N -0.78 2.31 -0.28 2.04 -7.23 0.40 -1.31 120.40 115.55 3d3s s VAL 46 Ca -0.09 -1.83 -0.06 0.00 -1.81 0.00 0.00 61.98 58.19 3d3s s VAL 46 Cb -0.04 -2.05 0.01 0.00 0.56 0.00 0.00 36.38 34.86 3d3s s VAL 46 CO 0.03 0.03 0.05 0.00 -0.31 0.00 0.00 175.10 174.90 3d3s s ALA 47 N -1.24 3.01 -0.16 1.32 0.00 -0.65 -1.70 121.76 122.33 3d3s s ALA 47 Ca 0.16 -1.42 -0.04 0.00 0.00 0.00 0.00 51.96 50.66 3d3s s ALA 47 Cb -0.09 -2.06 -0.03 0.00 0.00 0.00 0.00 23.12 20.94 3d3s s ALA 47 CO 0.07 -0.86 -0.02 -2.00 0.00 0.00 0.00 175.76 172.96 3d3s s GLU 48 N 1.48 3.72 0.84 0.00 2.12 -0.14 -1.11 118.70 125.61 3d3s s GLU 48 Ca 0.03 -0.49 -0.12 0.00 0.36 0.00 0.00 54.97 54.75 3d3s s GLU 48 Cb -0.17 -2.98 0.09 0.00 0.26 0.00 0.00 34.13 31.33 3d3s s GLU 48 CO 0.01 0.22 1.12 -1.54 -0.54 0.00 0.00 175.26 174.54 3d3s s SER 49 N 0.43 4.18 0.33 -1.70 1.04 0.39 -0.68 113.70 117.69 3d3s s SER 49 Ca -0.02 1.09 0.07 0.00 0.48 0.00 0.00 55.95 57.56 3d3s s SER 49 Cb -0.14 -1.73 0.76 0.00 0.10 0.00 0.00 66.02 65.01 3d3s s SER 49 CO 0.02 -2.14 1.84 -0.65 0.98 0.00 0.00 173.24 173.29 3d3s h PRO 50 N -1.21 0.74 0.00 4.02 0.11 -1.91 -1.12 132.00 132.64 3d3s h PRO 50 Ca -0.48 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.58 3d3s h PRO 50 Cb 1.30 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.24 3d3s h PRO 50 CO 0.62 0.49 0.00 0.41 -0.21 0.00 0.00 178.00 179.31 3d3s n GLY 51 N -1.40 -0.98 1.06 -0.55 0.00 -1.26 -4.88 105.19 97.17 3d3s n GLY 51 Ca 0.19 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.11 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 0.73 0.72 3.77 -0.02 0.00 -0.42 -5.04 105.19 104.94 3d3s n GLY 52 Ca 0.12 -0.09 -0.40 0.00 0.00 0.00 0.00 46.02 45.66 3d3s n GLY 52 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3d3s s ARG 53 N -0.56 4.63 -0.49 1.61 0.52 -1.26 -4.78 118.95 118.62 3d3s s ARG 53 Ca 0.00 1.23 -0.19 0.00 -0.52 0.00 0.00 55.73 56.24 3d3s s ARG 53 Cb 0.00 -3.27 0.05 0.00 0.52 0.00 0.00 34.95 32.25 3d3s s ARG 53 CO 0.00 0.54 0.63 0.42 0.02 0.00 0.00 175.30 176.91 3d3s s ILE 54 N -1.07 4.86 -1.51 1.52 1.01 -1.26 -0.46 121.20 124.29 3d3s s ILE 54 Ca 0.37 -0.35 0.15 0.00 0.00 0.00 0.00 60.65 60.82 3d3s s ILE 54 Cb -0.24 -4.27 0.03 0.00 0.01 0.00 0.00 42.46 38.00 3d3s s ILE 54 CO 0.27 -0.75 0.85 0.47 0.00 0.00 0.00 174.94 175.79 3d3s n ASP 55 N 6.19 1.75 -3.87 3.58 8.00 -0.27 -4.82 116.55 127.12 3d3s n ASP 55 Ca -0.05 -1.37 -0.11 0.00 0.71 0.00 0.00 54.79 53.96 3d3s n ASP 55 Cb 0.46 0.33 -0.10 0.00 -0.02 0.00 0.00 41.12 41.79 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 -1.61 0.05 -0.21 0.44 0.00 -1.21 -0.25 107.32 104.54 3d3s s GLY 56 Ca 0.14 -0.14 -0.18 0.00 0.00 0.00 0.00 44.72 44.54 3d3s s GLY 56 CO 0.31 -0.27 0.55 -0.12 0.00 0.00 0.00 173.10 173.56 3d3s s PHE 57 N -1.39 -0.63 -0.06 1.90 5.36 0.08 -1.63 117.98 121.61 3d3s s PHE 57 Ca -0.15 1.50 0.03 0.00 -0.96 0.00 0.00 56.93 57.35 3d3s s PHE 57 Cb -0.08 0.24 0.01 0.00 -0.34 0.00 0.00 43.02 42.85 3d3s s PHE 57 CO 0.02 -0.31 -0.15 0.08 -1.46 0.00 0.00 175.22 173.40 3d3s s VAL 58 N 0.48 1.30 -0.13 3.12 1.01 -0.43 -0.42 120.40 125.33 3d3s s VAL 58 Ca -0.02 -0.60 -0.07 0.00 0.00 0.00 0.00 61.98 61.30 3d3s s VAL 58 Cb -0.04 -1.16 -0.04 0.00 0.00 0.00 0.00 36.38 35.14 3d3s s VAL 58 CO -0.02 0.39 0.11 -0.94 0.00 0.00 0.00 175.10 174.64 3d3s s SER 59 N 0.46 6.09 0.15 3.32 1.04 -0.71 -1.77 113.70 122.28 3d3s s SER 59 Ca -0.12 0.34 -0.24 0.00 0.48 0.00 0.00 55.95 56.41 3d3s s SER 59 Cb -0.15 -1.96 0.07 0.00 0.10 0.00 0.00 66.02 64.08 3d3s s SER 59 CO 0.04 0.34 0.65 0.00 0.98 0.00 0.00 173.24 175.25 3d3s s ALA 60 N -0.64 -1.60 0.01 5.32 0.00 -1.23 -0.22 121.76 123.40 3d3s s ALA 60 Ca 0.12 0.48 -0.29 0.00 0.00 0.00 0.00 51.96 52.28 3d3s s ALA 60 Cb -0.12 0.82 0.07 0.00 0.00 0.00 0.00 23.12 23.90 3d3s s ALA 60 CO 0.02 -0.79 0.67 1.52 0.00 0.00 0.00 175.76 177.19 3d3s s TYR 61 N -3.68 -0.61 0.37 0.00 -0.85 -0.46 -4.42 117.35 107.69 3d3s s TYR 61 Ca 0.03 0.88 -0.26 0.00 -0.52 0.00 0.00 57.07 57.20 3d3s s TYR 61 Cb -0.01 0.45 -0.09 0.00 0.38 0.00 0.00 41.96 42.69 3d3s s TYR 61 CO -0.11 -0.67 1.11 -0.51 -1.52 0.00 0.00 175.55 173.85 3d3s s LEU 62 N -1.64 4.28 -0.07 -3.49 1.43 -1.26 -0.26 118.68 117.66 3d3s s LEU 62 Ca -0.07 2.21 -0.30 0.00 -1.03 0.00 0.00 54.13 54.94 3d3s s LEU 62 Cb -0.00 -3.97 -0.04 0.00 0.03 0.00 0.00 46.19 42.21 3d3s s LEU 62 CO 0.03 -0.46 1.32 -0.76 0.23 0.00 0.00 176.35 176.71 3d3s s LEU 63 N -2.25 4.27 0.35 1.79 1.43 -0.60 -4.88 118.68 118.79 3d3s s LEU 63 Ca 0.54 1.91 0.09 0.00 -1.03 0.00 0.00 54.13 55.64 3d3s s LEU 63 Cb -0.28 -3.55 0.84 0.00 0.03 0.00 0.00 46.19 43.23 3d3s s LEU 63 CO 0.35 -0.71 1.85 -0.65 0.23 0.00 0.00 176.35 177.43 3d3s h PRO 64 N 7.97 0.65 0.00 1.29 0.11 -1.93 -2.24 132.00 137.86 3d3s h PRO 64 Ca -0.33 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.74 3d3s h PRO 64 Cb 1.15 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.11 3d3s h PRO 64 CO 0.92 0.43 -0.54 0.25 -0.21 0.00 0.00 178.00 178.85 3d3s n THR 65 N -4.58 0.17 -3.19 -1.15 -2.24 -1.26 -4.44 114.28 97.59 3d3s n THR 65 Ca 0.19 -0.14 -0.22 0.00 -2.27 0.00 0.00 64.05 61.61 3d3s n THR 65 Cb 0.51 0.02 -0.06 0.00 -2.10 0.00 0.00 70.33 68.70 3d3s n THR 65 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3d3s n ARG 66 N -1.81 0.49 0.03 -0.78 1.74 -0.89 -5.02 116.66 110.43 3d3s n ARG 66 Ca 0.04 -2.95 0.05 0.00 -0.77 0.00 0.00 57.85 54.22 3d3s n ARG 66 Cb 0.39 -1.44 0.23 0.00 -1.02 0.00 0.00 32.46 30.62 3d3s n ARG 66 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 3d3s n PRO 67 N 2.13 0.04 -0.03 5.56 -0.04 -0.89 -1.49 135.00 140.28 3d3s n PRO 67 Ca 0.23 0.43 0.09 0.00 -0.04 0.00 0.00 63.50 64.21 3d3s n PRO 67 Cb 0.52 -1.59 0.47 0.00 -0.04 0.00 0.00 33.50 32.86 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 0.60 -4.35 3.54 3.85 -1.26 -4.68 116.55 112.58 3d3s n ASP 68 Ca 0.01 -1.54 -0.34 0.00 -0.71 0.00 0.00 54.79 52.21 3d3s n ASP 68 Cb 0.08 -0.04 -0.14 0.00 -1.35 0.00 0.00 41.12 39.68 3d3s n ASP 68 CO 0.00 0.00 0.00 -0.69 -1.01 0.00 0.00 177.20 175.50 3d3s s VAL 69 N -1.92 3.41 -0.26 2.12 1.01 -0.55 -0.67 120.40 123.53 3d3s s VAL 69 Ca 0.29 -0.50 -0.17 0.00 0.00 0.00 0.00 61.98 61.60 3d3s s VAL 69 Cb 0.14 -2.52 -0.03 0.00 0.00 0.00 0.00 36.38 33.97 3d3s s VAL 69 CO 0.23 0.45 0.47 -0.22 0.00 0.00 0.00 175.10 176.03 3d3s s LEU 70 N 1.11 4.05 -0.20 3.92 2.96 -0.30 -1.55 118.68 128.66 3d3s s LEU 70 Ca 0.01 0.45 -0.17 0.00 -0.22 0.00 0.00 54.13 54.20 3d3s s LEU 70 Cb -0.15 -2.59 -0.04 0.00 0.50 0.00 0.00 46.19 43.92 3d3s s LEU 70 CO -0.01 -0.25 0.44 0.12 -1.32 0.00 0.00 176.35 175.33 3d3s s PHE 71 N 2.22 3.37 -0.28 5.38 5.36 0.64 -1.20 117.98 133.47 3d3s s PHE 71 Ca 0.19 0.67 -0.13 0.00 -0.96 0.00 0.00 56.93 56.70 3d3s s PHE 71 Cb -0.16 -2.58 -0.04 0.00 -0.34 0.00 0.00 43.02 39.90 3d3s s PHE 71 CO 0.09 -0.05 0.27 0.08 -1.46 0.00 0.00 175.22 174.16 3d3s s VAL 72 N 1.44 5.25 -0.05 3.12 1.01 0.17 -1.35 120.40 129.99 3d3s s VAL 72 Ca 0.21 0.34 -0.02 0.00 0.00 0.00 0.00 61.98 62.50 3d3s s VAL 72 Cb -0.15 -3.61 -0.01 0.00 0.00 0.00 0.00 36.38 32.62 3d3s s VAL 72 CO 0.09 0.21 -0.05 -0.25 0.00 0.00 0.00 175.10 175.09 3d3s h TRP 73 N 8.29 0.00 -4.26 5.22 7.01 -0.91 -3.40 115.95 127.89 3d3s h TRP 73 Ca -0.33 0.00 -0.56 0.00 2.11 0.00 0.00 58.89 60.10 3d3s h TRP 73 Cb 1.18 0.00 -0.28 0.00 -2.10 0.00 0.00 29.16 27.96 3d3s h TRP 73 CO 0.76 0.00 -0.84 -0.65 -2.79 0.00 0.00 178.44 174.92 3d3s s GLN 74 N -1.41 1.41 -0.19 2.65 -0.21 -1.20 -4.89 119.66 115.82 3d3s s GLN 74 Ca -0.04 -0.78 0.01 0.00 0.02 0.00 0.00 55.36 54.57 3d3s s GLN 74 Cb 0.01 -1.43 0.03 0.00 1.00 0.00 0.00 33.01 32.62 3d3s s GLN 74 CO 0.06 0.38 -0.16 0.08 -2.12 0.00 0.00 175.29 173.52 3d3s s VAL 75 N -0.61 1.94 -0.12 1.09 1.01 -1.26 -1.73 120.40 120.72 3d3s s VAL 75 Ca 0.07 -1.01 0.03 0.00 0.00 0.00 0.00 61.98 61.07 3d3s s VAL 75 Cb -0.08 -1.85 0.00 0.00 0.00 0.00 0.00 36.38 34.46 3d3s s VAL 75 CO 0.00 0.39 -0.22 0.00 0.00 0.00 0.00 175.10 175.27 3d3s s ALA 76 N 1.31 2.25 -0.10 5.51 0.00 0.44 -4.99 121.76 126.17 3d3s s ALA 76 Ca 0.02 -1.03 -0.01 0.00 0.00 0.00 0.00 51.96 50.95 3d3s s ALA 76 Cb -0.15 -0.94 0.03 0.00 0.00 0.00 0.00 23.12 22.07 3d3s s ALA 76 CO -0.11 0.13 -0.05 0.08 0.00 0.00 0.00 175.76 175.80 3d3s s VAL 77 N 0.58 0.85 0.54 0.00 1.01 -1.26 -0.74 120.40 121.38 3d3s s VAL 77 Ca -0.12 -0.18 -0.21 0.00 0.00 0.00 0.00 61.98 61.46 3d3s s VAL 77 Cb -0.17 -0.91 -0.05 0.00 0.00 0.00 0.00 36.38 35.26 3d3s s VAL 77 CO 0.03 0.34 1.30 -2.28 0.00 0.00 0.00 175.10 174.49 3d3s s HIS 78 N 1.78 2.40 0.38 5.22 2.46 0.66 -4.86 115.29 123.33 3d3s s HIS 78 Ca 0.05 1.43 0.13 0.00 0.47 0.00 0.00 55.06 57.15 3d3s s HIS 78 Cb -0.12 -3.67 0.96 0.00 -0.13 0.00 0.00 32.58 29.61 3d3s s HIS 78 CO -0.07 -2.54 1.83 0.66 -2.47 0.00 0.00 174.74 172.15 3d3s h SER 79 N 1.44 0.54 0.71 9.88 4.64 -1.90 0.20 113.55 129.06 3d3s h SER 79 Ca -0.51 0.06 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 3d3s h SER 79 Cb 1.29 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 3d3s h SER 79 CO 0.57 0.22 0.00 -2.11 -0.87 0.00 0.00 176.83 174.64 3d3s n ARG 80 N -4.58 0.20 0.00 4.77 1.85 -1.26 -2.18 116.66 115.46 3d3s n ARG 80 Ca 0.20 0.44 0.12 0.00 -1.00 0.00 0.00 57.85 57.61 3d3s n ARG 80 Cb 0.64 -1.89 0.11 0.00 -1.05 0.00 0.00 32.46 30.27 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 -1.79 2.60 -1.79 2.89 0.00 0.67 -5.01 120.51 118.09 3d3s n ALA 81 Ca 0.02 -0.67 -0.35 0.00 0.00 0.00 0.00 53.44 52.44 3d3s n ALA 81 Cb 0.22 -0.83 -0.03 0.00 0.00 0.00 0.00 19.45 18.82 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 -2.06 3.76 0.00 0.00 0.52 -0.92 -3.71 118.95 116.53 3d3s s ARG 82 Ca 0.27 1.44 0.00 0.00 -0.52 0.00 0.00 55.73 56.92 3d3s s ARG 82 Cb 0.20 -2.14 0.00 0.00 0.52 0.00 0.00 34.95 33.53 3d3s s ARG 82 CO 0.34 -0.48 0.00 0.41 0.02 0.00 0.00 175.30 175.59 3d3s n GLY 83 N -0.08 0.53 0.00 -3.53 0.00 -1.26 -4.95 105.19 95.90 3d3s n GLY 83 Ca 0.09 -0.83 0.00 0.00 0.00 0.00 0.00 46.02 45.28 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 -2.76 0.00 -4.19 1.61 8.25 -1.24 -4.98 115.22 111.91 3d3s n HIS 84 Ca 0.00 -0.37 -0.35 0.00 -0.26 0.00 0.00 57.72 56.74 3d3s n HIS 84 Cb 0.00 -0.04 -0.02 0.00 1.12 0.00 0.00 29.99 31.05 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 -0.37 -3.25 -0.05 -0.41 1.74 -1.26 -4.86 116.66 108.21 3d3s n ARG 85 Ca 0.00 0.38 -0.07 0.00 -0.77 0.00 0.00 57.85 57.39 3d3s n ARG 85 Cb 0.19 -5.04 0.10 0.00 -1.02 0.00 0.00 32.46 26.69 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 -1.56 0.69 0.05 0.55 5.85 -1.94 -1.34 115.31 117.61 3d3s h LEU 86 Ca -0.60 -0.27 0.02 0.00 0.84 0.00 0.00 57.88 57.88 3d3s h LEU 86 Cb 1.38 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 42.18 3d3s h LEU 86 CO 0.76 0.95 -0.24 1.23 -0.34 0.00 0.00 178.44 180.81 3d3s h GLY 87 N 0.99 -0.38 0.15 3.75 0.00 -1.95 -2.59 103.07 103.04 3d3s h GLY 87 Ca 0.07 0.28 0.11 0.00 0.00 0.00 0.00 47.33 47.78 3d3s h GLY 87 CO 0.07 -0.20 0.06 -0.09 0.00 0.00 0.00 176.54 176.38 3d3s h ARG 88 N -0.39 0.18 -0.04 4.80 2.43 -1.83 -1.58 114.38 117.94 3d3s h ARG 88 Ca 0.05 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 3d3s h ARG 88 Cb 0.45 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.96 3d3s h ARG 88 CO -0.18 0.12 0.00 0.00 -1.51 0.00 0.00 179.97 178.40 3d3s n ALA 89 N -2.65 0.93 0.00 2.80 0.00 -0.51 -1.51 120.51 119.57 3d3s n ALA 89 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.51 3d3s n ALA 89 Cb 0.30 -0.92 0.00 0.00 0.00 0.00 0.00 19.45 18.84 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 0.47 0.00 -0.13 0.00 4.77 -0.60 -0.89 117.00 120.63 3d3s n LEU 91 Ca 0.00 0.00 -0.05 0.00 -0.03 0.00 0.00 56.01 55.93 3d3s n LEU 91 Cb 0.00 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.12 3d3s n LEU 91 CO 0.00 0.00 0.94 1.23 -1.33 0.00 0.00 177.39 178.23 3d3s h GLY 92 N 0.00 0.52 0.20 -0.72 0.00 -1.53 -1.29 103.07 100.24 3d3s h GLY 92 Ca 0.00 -0.07 0.10 0.00 0.00 0.00 0.00 47.33 47.36 3d3s h GLY 92 CO 0.00 0.01 0.05 0.84 0.00 0.00 0.00 176.54 177.44 3d3s h HIS 93 N 0.28 0.07 -0.01 5.60 -0.00 -1.26 -2.07 115.15 117.76 3d3s h HIS 93 Ca 0.19 0.04 -0.00 0.00 -0.00 0.00 0.00 60.37 60.60 3d3s h HIS 93 Cb 0.19 0.05 -0.00 0.00 -0.00 0.00 0.00 27.41 27.65 3d3s h HIS 93 CO -0.16 -0.07 0.01 0.82 -0.00 0.00 0.00 177.93 178.52 3d3s h ILE 94 N 0.18 1.12 -0.43 6.26 2.04 -1.74 -3.06 117.51 121.89 3d3s h ILE 94 Ca 0.27 -0.37 0.12 0.00 1.00 0.00 0.00 64.86 65.89 3d3s h ILE 94 Cb 0.41 1.35 -0.02 0.00 -0.74 0.00 0.00 36.82 37.82 3d3s h ILE 94 CO -0.40 0.10 0.33 0.25 0.00 0.00 0.00 178.15 178.43 3d3s h LEU 95 N -0.13 0.00 -1.09 1.44 5.85 -1.06 -2.11 115.31 118.21 3d3s h LEU 95 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3d3s h LEU 95 Cb 0.15 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.18 3d3s h LEU 95 CO -0.00 0.00 0.00 -0.62 -0.34 0.00 0.00 178.44 177.48 3d3s n GLU 96 N -4.25 1.73 -2.51 1.25 1.02 -0.79 -4.66 120.64 112.43 3d3s n GLU 96 Ca 0.07 -1.08 -0.33 0.00 -0.02 0.00 0.00 57.16 55.80 3d3s n GLU 96 Cb 0.53 -1.43 -0.04 0.00 -0.02 0.00 0.00 31.44 30.48 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 -1.87 3.96 0.52 3.49 0.52 -0.79 -4.95 118.95 119.82 3d3s s ARG 97 Ca 0.35 1.07 0.19 0.00 -0.52 0.00 0.00 55.73 56.82 3d3s s ARG 97 Cb 0.19 -2.13 1.34 0.00 0.52 0.00 0.00 34.95 34.86 3d3s s ARG 97 CO 0.29 -0.27 2.14 -0.56 0.02 0.00 0.00 175.30 176.92 3d3s h GLN 98 N 1.24 0.00 0.00 3.54 -0.00 -1.91 0.12 115.11 118.11 3d3s h GLN 98 Ca -0.48 0.00 -0.02 0.00 -0.00 0.00 0.00 58.65 58.16 3d3s h GLN 98 Cb 1.19 0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 28.67 3d3s h GLN 98 CO 0.61 0.04 -0.08 0.93 -0.00 0.00 0.00 178.83 180.33 3d3s h GLU 99 N 0.00 0.00 -0.55 0.06 3.07 -1.92 -2.36 114.58 112.88 3d3s h GLU 99 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3d3s h GLU 99 Cb 0.08 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.99 3d3s h GLU 99 CO 0.01 0.08 0.00 0.00 -1.40 0.00 0.00 179.01 177.69 3d3s h ARG 101 N 3.46 0.00 -0.30 0.00 0.11 -1.25 -0.61 114.38 115.79 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 1.37 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.45 3d3s h ARG 101 CO 0.21 0.00 0.00 0.72 0.10 0.00 0.00 179.97 181.00 3d3s n HIS 102 N -3.16 0.39 -2.11 4.08 8.25 -1.26 -4.84 115.22 116.57 3d3s n HIS 102 Ca -0.03 -0.29 -0.42 0.00 -0.26 0.00 0.00 57.72 56.72 3d3s n HIS 102 Cb 0.10 -0.01 -0.03 0.00 1.12 0.00 0.00 29.99 31.17 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 -1.15 3.61 -0.03 1.59 1.01 -0.24 -4.51 120.40 120.69 3d3s s VAL 103 Ca 0.27 0.89 0.12 0.00 0.00 0.00 0.00 61.98 63.26 3d3s s VAL 103 Cb 0.16 -3.57 -0.18 0.00 0.00 0.00 0.00 36.38 32.78 3d3s s VAL 103 CO 0.22 -0.04 0.24 -1.14 0.00 0.00 0.00 175.10 174.38 3d3s n ARG 104 N 6.24 0.55 -3.99 2.72 0.63 0.15 -4.71 116.66 118.25 3d3s n ARG 104 Ca 0.15 -0.10 -0.09 0.00 -0.92 0.00 0.00 57.85 56.90 3d3s n ARG 104 Cb 0.43 -1.29 -0.11 0.00 0.45 0.00 0.00 32.46 31.95 3d3s n ARG 104 CO 0.00 0.00 0.00 -1.01 -2.51 0.00 0.00 177.63 174.11 3d3s s HIS 105 N -2.78 0.29 -0.07 -0.14 3.76 -0.84 -0.95 115.29 114.55 3d3s s HIS 105 Ca -0.05 -0.59 0.00 0.00 -0.15 0.00 0.00 55.06 54.27 3d3s s HIS 105 Cb 0.07 -0.21 -0.03 0.00 1.11 0.00 0.00 32.58 33.52 3d3s s HIS 105 CO 0.50 -0.24 -0.05 -0.51 -0.85 0.00 0.00 174.74 173.58 3d3s s LEU 106 N -1.76 3.27 0.07 0.89 1.02 0.17 -1.15 118.68 121.20 3d3s s LEU 106 Ca -0.11 0.02 0.07 0.00 0.02 0.00 0.00 54.13 54.13 3d3s s LEU 106 Cb -0.06 -1.73 -0.03 0.00 0.02 0.00 0.00 46.19 44.39 3d3s s LEU 106 CO -0.03 0.36 -0.18 -1.61 0.02 0.00 0.00 176.35 174.91 3d3s s GLU 107 N -0.85 1.09 0.20 1.70 2.02 -0.34 -0.60 118.70 121.92 3d3s s GLU 107 Ca 0.13 -1.01 -0.23 0.00 0.02 0.00 0.00 54.97 53.88 3d3s s GLU 107 Cb -0.11 -1.23 0.05 0.00 0.10 0.00 0.00 34.13 32.94 3d3s s GLU 107 CO 0.02 0.29 0.88 -0.08 0.02 0.00 0.00 175.26 176.39 3d3s s THR 108 N -1.05 0.00 0.18 3.63 -1.32 -0.62 -0.66 115.64 115.80 3d3s s THR 108 Ca 0.04 -0.79 0.11 0.00 -1.21 0.00 0.00 61.69 59.85 3d3s s THR 108 Cb -0.09 -2.02 -0.04 0.00 -1.51 0.00 0.00 72.50 68.84 3d3s s THR 108 CO 0.03 0.00 -0.24 0.42 -2.21 0.00 0.00 174.62 172.62 3d3s s THR 109 N -3.49 2.31 0.13 5.08 -4.23 -1.26 -0.70 115.64 113.48 3d3s s THR 109 Ca 0.12 -1.99 0.03 0.00 -1.18 0.00 0.00 61.69 58.68 3d3s s THR 109 Cb -0.03 -2.09 -0.04 0.00 1.34 0.00 0.00 72.50 71.68 3d3s s THR 109 CO 0.04 -0.10 -0.08 0.68 -0.54 0.00 0.00 174.62 174.62 3d3s s VAL 110 N -1.60 0.96 0.09 2.29 -7.23 -1.26 -4.95 120.40 108.70 3d3s s VAL 110 Ca 0.19 -2.01 0.00 0.00 -1.81 0.00 0.00 61.98 58.36 3d3s s VAL 110 Cb -0.08 -1.81 0.00 0.00 0.56 0.00 0.00 36.38 35.05 3d3s s VAL 110 CO 0.09 -0.77 0.00 0.00 -0.31 0.00 0.00 175.10 174.11 3d3s n GLN 115 N -0.14 0.00 0.19 4.82 1.13 -1.26 -4.43 117.38 117.69 3d3s n GLN 115 Ca -0.11 0.00 0.04 0.00 -1.94 0.00 0.00 57.00 54.99 3d3s n GLN 115 Cb 0.61 -0.02 0.43 0.00 0.11 0.00 0.00 30.24 31.37 3d3s n GLN 115 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3d3s h ALA 116 N 0.00 1.54 0.00 -1.58 0.00 -2.03 -2.13 119.26 115.06 3d3s h ALA 116 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.67 3d3s h ALA 116 Cb 0.03 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.77 3d3s h ALA 116 CO 0.00 0.34 0.00 -1.13 0.00 0.00 0.00 179.25 178.46 3d3s n SER 117 N -4.23 0.00 -0.07 0.00 3.41 -1.26 -2.85 113.62 108.62 3d3s n SER 117 Ca -0.02 -0.46 0.26 0.00 -0.26 0.00 0.00 58.87 58.38 3d3s n SER 117 Cb 0.31 -0.07 0.67 0.00 -0.26 0.00 0.00 64.21 64.86 3d3s n SER 117 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 3d3s h ARG 118 N 0.00 0.00 -0.03 4.33 2.43 -1.81 0.44 114.38 119.75 3d3s h ARG 118 Ca 0.00 0.00 -0.18 0.00 -0.81 0.00 0.00 59.98 58.99 3d3s h ARG 118 Cb 0.04 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.58 3d3s h ARG 118 CO 0.00 0.00 -0.78 -0.09 -1.51 0.00 0.00 179.97 177.59 3d3s h ARG 119 N 0.00 0.25 -0.10 0.20 2.43 -1.78 -2.39 114.38 112.99 3d3s h ARG 119 Ca 0.35 -0.23 -0.01 0.00 -0.81 0.00 0.00 59.98 59.29 3d3s h ARG 119 Cb 1.81 0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 31.41 3d3s h ARG 119 CO -0.00 0.91 0.04 1.15 -1.51 0.00 0.00 179.97 180.56 3d3s h THR 120 N 0.16 1.14 -0.43 0.20 2.02 -0.37 0.22 112.91 115.85 3d3s h THR 120 Ca -0.03 -0.41 -0.11 0.00 0.77 0.00 0.00 66.41 66.62 3d3s h THR 120 Cb 1.37 1.23 -0.01 0.00 -1.74 0.00 0.00 68.15 68.99 3d3s h THR 120 CO 0.12 0.12 -0.18 -0.26 0.37 0.00 0.00 175.52 175.70 3d3s h PHE 121 N 0.01 1.00 -0.29 3.16 0.04 -1.46 0.26 116.94 119.66 3d3s h PHE 121 Ca 0.03 -0.24 -0.13 0.00 2.80 0.00 0.00 57.97 60.44 3d3s h PHE 121 Cb 0.16 -0.23 -0.01 0.00 2.20 0.00 0.00 35.95 38.06 3d3s h PHE 121 CO -0.02 1.01 -0.35 0.00 -0.60 0.00 0.00 178.31 178.35 3d3s h ALA 122 N 0.84 0.85 -0.08 2.45 0.00 -1.43 -0.14 119.26 121.75 3d3s h ALA 122 Ca 0.10 -0.42 -0.00 0.00 0.00 0.00 0.00 54.91 54.59 3d3s h ALA 122 Cb 0.73 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 3d3s h ALA 122 CO 0.06 0.64 0.04 0.78 0.00 0.00 0.00 179.25 180.77 3d3s h GLY 123 N 1.00 0.11 0.63 0.00 0.00 -0.53 -1.51 103.07 102.78 3d3s h GLY 123 Ca 0.06 -0.05 0.05 0.00 0.00 0.00 0.00 47.33 47.38 3d3s h GLY 123 CO 0.07 0.05 0.09 -2.00 0.00 0.00 0.00 176.54 174.75 3d3s h LEU 124 N 0.05 0.07 -0.13 3.11 5.85 -0.23 -2.93 115.31 121.09 3d3s h LEU 124 Ca 0.03 0.05 0.02 0.00 0.84 0.00 0.00 57.88 58.81 3d3s h LEU 124 Cb 0.06 0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.13 3d3s h LEU 124 CO -0.00 0.07 0.02 0.00 -0.34 0.00 0.00 178.44 178.19 3d3s h ALA 125 N 1.24 0.13 -0.44 1.25 0.00 -0.90 -3.00 119.26 117.55 3d3s h ALA 125 Ca 0.16 0.02 0.09 0.00 0.00 0.00 0.00 54.91 55.18 3d3s h ALA 125 Cb 0.16 0.03 -0.08 0.00 0.00 0.00 0.00 17.79 17.90 3d3s h ALA 125 CO -0.19 -0.43 -0.11 0.78 0.00 0.00 0.00 179.25 179.30 3d3s h GLY 126 N 0.08 0.31 0.75 0.00 0.00 -1.15 -1.18 103.07 101.89 3d3s h GLY 126 Ca 0.06 0.15 0.13 0.00 0.00 0.00 0.00 47.33 47.66 3d3s h GLY 126 CO -0.08 -0.17 0.51 0.83 0.00 0.00 0.00 176.54 177.63 3d3s h GLU 127 N -0.00 0.54 -0.17 4.80 5.08 -1.38 -3.20 114.58 120.25 3d3s h GLU 127 Ca 0.21 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 3d3s h GLU 127 Cb 0.32 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.45 3d3s h GLU 127 CO -0.45 0.35 0.00 0.54 -1.00 0.00 0.00 179.01 178.45 3d3s n ARG 128 N -4.50 1.79 -0.93 2.33 1.74 -0.91 -4.99 116.66 111.19 3d3s n ARG 128 Ca 0.14 -1.56 0.00 0.00 -0.77 0.00 0.00 57.85 55.66 3d3s n ARG 128 Cb 0.44 -1.19 0.00 0.00 -1.02 0.00 0.00 32.46 30.69 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 0.38 0.49 3.98 -0.13 0.00 -0.87 -4.78 105.19 104.25 3d3s n GLY 129 Ca 0.07 -0.40 -0.22 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.00 3.78 0.05 4.61 0.00 -0.50 -4.74 121.76 122.96 3d3s s ALA 130 Ca 0.00 -1.49 0.04 0.00 0.00 0.00 0.00 51.96 50.52 3d3s s ALA 130 Cb 0.00 -2.07 -0.02 0.00 0.00 0.00 0.00 23.12 21.03 3d3s s ALA 130 CO 0.00 -1.09 -0.12 -1.01 0.00 0.00 0.00 175.76 173.53 3d3s s HIS 131 N -2.96 1.07 -0.19 0.00 3.76 0.47 -4.39 115.29 113.06 3d3s s HIS 131 Ca 0.61 -0.39 -0.05 0.00 -0.15 0.00 0.00 55.06 55.08 3d3s s HIS 131 Cb -0.08 -0.63 -0.03 0.00 1.11 0.00 0.00 32.58 32.95 3d3s s HIS 131 CO 0.41 0.02 0.01 0.08 -0.85 0.00 0.00 174.74 174.41 3d3s s VAL 132 N -1.03 4.09 0.18 -0.90 1.01 -1.26 -1.62 120.40 120.87 3d3s s VAL 132 Ca -0.02 -0.27 0.11 0.00 0.00 0.00 0.00 61.98 61.80 3d3s s VAL 132 Cb -0.09 -2.84 -0.04 0.00 0.00 0.00 0.00 36.38 33.41 3d3s s VAL 132 CO 0.01 0.44 -0.24 -0.94 0.00 0.00 0.00 175.10 174.37 3d3s s SER 133 N 0.85 3.31 -0.04 3.32 1.04 -0.04 -4.98 113.70 117.16 3d3s s SER 133 Ca 0.01 -0.84 0.05 0.00 0.48 0.00 0.00 55.95 55.64 3d3s s SER 133 Cb -0.14 -0.24 -0.00 0.00 0.10 0.00 0.00 66.02 65.74 3d3s s SER 133 CO 0.02 0.11 -0.18 -1.61 0.98 0.00 0.00 173.24 172.56 3d3s s GLU 134 N -2.57 1.84 0.05 4.02 2.02 -1.26 -1.00 118.70 121.80 3d3s s GLU 134 Ca 0.19 -0.64 -0.03 0.00 0.02 0.00 0.00 54.97 54.51 3d3s s GLU 134 Cb -0.08 -1.61 -0.02 0.00 0.10 0.00 0.00 34.13 32.52 3d3s s GLU 134 CO 0.09 0.26 0.03 1.14 0.02 0.00 0.00 175.26 176.80 3d3s s GLN 135 N -0.00 0.58 0.37 1.61 -2.07 -0.36 -4.97 119.66 114.82 3d3s s GLN 135 Ca -0.03 -0.96 -0.28 0.00 -1.82 0.00 0.00 55.36 52.27 3d3s s GLN 135 Cb -0.11 0.21 -0.11 0.00 -1.09 0.00 0.00 33.01 31.91 3d3s s GLN 135 CO 0.02 -0.13 1.48 -2.14 -1.32 0.00 0.00 175.29 173.21 3d3s s PRO 136 N -3.13 4.12 -0.07 9.60 0.02 -1.26 -0.07 135.00 144.22 3d3s s PRO 136 Ca -0.00 2.55 -0.04 0.00 0.02 0.00 0.00 61.00 63.53 3d3s s PRO 136 Cb 0.02 -2.98 -0.03 0.00 0.02 0.00 0.00 34.50 31.53 3d3s s PRO 136 CO -0.07 -0.52 -0.09 0.34 -0.33 0.00 0.00 177.00 176.33 3d3s n PHE 137 N 0.55 0.00 -2.93 6.54 7.35 -1.26 -4.62 117.46 123.09 3d3s n PHE 137 Ca 0.01 0.00 -0.40 0.00 -0.76 0.00 0.00 57.45 56.31 3d3s n PHE 137 Cb 0.39 -0.25 -0.06 0.00 0.35 0.00 0.00 39.48 39.91 3d3s n PHE 137 CO 0.00 0.00 0.00 -0.51 -0.76 0.00 0.00 176.76 175.49 3d3s s ASP 150 N -5.66 7.41 0.02 -2.13 -0.00 -1.26 -5.01 116.67 110.04 3d3s s ASP 150 Ca -0.10 1.67 0.00 0.00 -0.00 0.00 0.00 52.55 54.12 3d3s s ASP 150 Cb 0.04 -2.52 0.00 0.00 -0.00 0.00 0.00 42.92 40.44 3d3s s ASP 150 CO 0.13 0.16 0.01 -0.62 -0.00 0.00 0.00 175.17 174.85 3d3s n GLU 151 N 1.83 1.52 -3.75 8.23 -0.58 -1.26 -4.94 120.64 121.69 3d3s n GLU 151 Ca -0.04 -0.11 -0.23 0.00 -0.42 0.00 0.00 57.16 56.35 3d3s n GLU 151 Cb 0.49 0.01 -0.17 0.00 -0.57 0.00 0.00 31.44 31.20 3d3s n GLU 151 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 3d3s s LEU 153 N 0.00 0.58 -0.12 -4.62 2.96 0.90 -4.77 118.68 113.61 3d3s s LEU 153 Ca 0.01 -0.15 -0.15 0.00 -0.22 0.00 0.00 54.13 53.62 3d3s s LEU 153 Cb -0.00 -0.41 -0.05 0.00 0.50 0.00 0.00 46.19 46.23 3d3s s LEU 153 CO 0.01 -0.22 0.35 -0.76 -1.32 0.00 0.00 176.35 174.41 3d3s s LEU 154 N 1.99 4.30 -0.10 -0.68 1.02 0.12 -1.22 118.68 124.11 3d3s s LEU 154 Ca 0.04 0.66 0.02 0.00 0.02 0.00 0.00 54.13 54.88 3d3s s LEU 154 Cb -0.13 -2.48 0.01 0.00 0.02 0.00 0.00 46.19 43.61 3d3s s LEU 154 CO -0.05 0.12 -0.17 -0.60 0.02 0.00 0.00 176.35 175.67 3d3s s ARG 155 N 0.20 2.34 -0.07 1.70 3.52 -0.17 -1.59 118.95 124.87 3d3s s ARG 155 Ca 0.20 -0.62 0.03 0.00 -0.13 0.00 0.00 55.73 55.22 3d3s s ARG 155 Cb -0.14 -1.90 0.00 0.00 -1.56 0.00 0.00 34.95 31.36 3d3s s ARG 155 CO 0.07 0.02 -0.18 0.42 -0.81 0.00 0.00 175.30 174.82 3d3s s ILE 156 N 0.74 1.55 -4.86 4.11 1.09 0.24 -0.86 121.20 123.21 3d3s s ILE 156 Ca -0.12 -0.74 0.00 0.00 -1.10 0.00 0.00 60.65 58.70 3d3s s ILE 156 Cb -0.16 -1.36 0.00 0.00 -1.06 0.00 0.00 42.46 39.88 3d3s s ILE 156 CO 0.02 0.45 0.00 0.61 -0.10 0.00 0.00 174.94 175.92 3d3s n GLY 157 N 3.54 -1.55 3.87 6.18 0.00 -0.64 -0.66 105.19 115.93 3d3s n GLY 157 Ca -0.20 -1.23 -0.31 0.00 0.00 0.00 0.00 46.02 44.28 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 -1.95 3.48 0.03 1.61 0.04 -1.26 -0.40 135.00 136.56 3d3s s PRO 158 Ca 0.00 0.74 0.05 0.00 0.04 0.00 0.00 61.00 61.84 3d3s s PRO 158 Cb 0.00 -2.07 -0.03 0.00 0.04 0.00 0.00 34.50 32.44 3d3s s PRO 158 CO 0.00 -0.65 -0.13 -0.06 0.04 0.00 0.00 177.00 176.20 3d3s s PHE 159 N -3.18 2.71 0.02 0.56 0.40 -0.13 -4.11 117.98 114.25 3d3s s PHE 159 Ca 0.56 -0.16 0.08 0.00 -0.60 0.00 0.00 56.93 56.81 3d3s s PHE 159 Cb -0.11 -1.52 -0.03 0.00 0.51 0.00 0.00 43.02 41.87 3d3s s PHE 159 CO 0.54 0.32 -0.23 0.99 0.70 0.00 0.00 175.22 177.54 3d3s s THR 160 N -0.98 2.40 -2.08 0.64 2.01 -1.26 -4.60 115.64 111.77 3d3s s THR 160 Ca 0.16 -1.21 0.17 0.00 0.31 0.00 0.00 61.69 61.12 3d3s s THR 160 Cb -0.11 -1.94 0.13 0.00 0.01 0.00 0.00 72.50 70.59 3d3s s THR 160 CO 0.07 0.42 1.03 1.41 -0.69 0.00 0.00 174.62 176.86