#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d3s h ARG 1 N 0.00 1.11 -5.69 3.23 2.47 -2.02 -3.44 114.38 110.03 3d3s h ARG 1 Ca 0.00 -0.21 -0.67 0.00 -1.26 0.00 0.00 59.98 57.84 3d3s h ARG 1 Cb 0.00 -0.17 -0.08 0.00 -1.65 0.00 0.00 29.97 28.06 3d3s h ARG 1 CO 0.00 0.92 -0.50 0.71 0.56 0.00 0.00 179.97 181.65 3d3s s TYR 2 N -5.52 3.52 -0.23 3.04 2.02 -1.26 -3.83 117.35 115.10 3d3s s TYR 2 Ca -0.12 0.47 -0.10 0.00 -0.37 0.00 0.00 57.07 56.95 3d3s s TYR 2 Cb 0.15 -1.92 -0.05 0.00 -0.40 0.00 0.00 41.96 39.74 3d3s s TYR 2 CO 0.83 0.69 0.13 -1.58 -1.57 0.00 0.00 175.55 174.05 3d3s s HIS 3 N -0.98 3.30 -0.12 2.71 5.65 0.22 -4.86 115.29 121.21 3d3s s HIS 3 Ca 0.15 0.16 -0.11 0.00 0.25 0.00 0.00 55.06 55.50 3d3s s HIS 3 Cb -0.12 -2.22 -0.05 0.00 -1.18 0.00 0.00 32.58 29.02 3d3s s HIS 3 CO 0.04 0.07 0.23 -0.51 -0.65 0.00 0.00 174.74 173.92 3d3s s LEU 4 N 0.89 4.33 0.16 8.88 1.43 -1.26 -0.71 118.68 132.41 3d3s s LEU 4 Ca 0.07 0.53 -0.23 0.00 -1.03 0.00 0.00 54.13 53.46 3d3s s LEU 4 Cb -0.13 -2.26 0.07 0.00 0.03 0.00 0.00 46.19 43.90 3d3s s LEU 4 CO 0.03 0.26 0.61 0.00 0.23 0.00 0.00 176.35 177.48 3d3s s ARG 5 N -0.35 1.29 0.66 1.70 1.70 -0.61 -4.98 118.95 118.35 3d3s s ARG 5 Ca 0.16 -0.48 -0.17 0.00 -0.47 0.00 0.00 55.73 54.77 3d3s s ARG 5 Cb -0.13 0.59 -0.00 0.00 -0.57 0.00 0.00 34.95 34.84 3d3s s ARG 5 CO 0.05 -0.56 1.22 -2.14 -1.08 0.00 0.00 175.30 172.79 3d3s s PRO 6 N -3.75 2.58 0.65 3.89 0.02 -1.26 -0.61 135.00 136.52 3d3s s PRO 6 Ca 0.01 1.84 -0.13 0.00 0.02 0.00 0.00 61.00 62.75 3d3s s PRO 6 Cb -0.01 -1.88 -0.01 0.00 0.02 0.00 0.00 34.50 32.62 3d3s s PRO 6 CO -0.13 -1.52 1.05 -1.25 -0.33 0.00 0.00 177.00 174.83 3d3s s PRO 7 N -3.57 3.14 0.39 5.54 0.04 -1.26 -4.73 135.00 134.54 3d3s s PRO 7 Ca 0.77 1.03 0.08 0.00 0.04 0.00 0.00 61.00 62.92 3d3s s PRO 7 Cb -0.31 -2.01 -0.07 0.00 0.04 0.00 0.00 34.50 32.15 3d3s s PRO 7 CO 0.39 -0.94 0.04 1.03 0.04 0.00 0.00 177.00 177.56 3d3s s ARG 8 N -4.68 2.03 0.33 4.56 0.52 -1.26 -4.80 118.95 115.64 3d3s s ARG 8 Ca 0.60 -1.96 0.09 0.00 -0.52 0.00 0.00 55.73 53.94 3d3s s ARG 8 Cb -0.14 -1.78 0.84 0.00 0.52 0.00 0.00 34.95 34.38 3d3s s ARG 8 CO 0.48 -0.01 1.77 -0.09 0.02 0.00 0.00 175.30 177.48 3d3s h ARG 9 N 1.73 0.64 0.00 3.54 2.43 -1.92 0.11 114.38 120.91 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 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.65 3d3s h ARG 9 CO 0.74 0.42 0.00 0.09 -1.51 0.00 0.00 179.97 179.72 3d3s n ASN 10 N -4.75 0.00 0.09 -3.80 4.13 -1.26 -2.52 115.26 107.16 3d3s n ASN 10 Ca 0.24 -0.98 0.13 0.00 1.68 0.00 0.00 54.58 55.65 3d3s n ASN 10 Cb 0.65 0.00 0.40 0.00 -1.54 0.00 0.00 39.78 39.28 3d3s n ASN 10 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 3d3s n ASP 11 N -0.99 0.75 -0.18 6.41 8.00 0.02 -4.48 116.55 126.09 3d3s n ASP 11 Ca 0.22 0.52 -0.01 0.00 0.71 0.00 0.00 54.79 56.24 3d3s n ASP 11 Cb 0.10 -0.68 0.07 0.00 -0.02 0.00 0.00 41.12 40.59 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 4.56 0.55 0.99 0.44 0.00 -1.63 -0.09 103.07 107.89 3d3s h GLY 12 Ca 0.00 0.09 -0.03 0.00 0.00 0.00 0.00 47.33 47.39 3d3s h GLY 12 CO 0.00 -0.17 0.26 0.00 0.00 0.00 0.00 176.54 176.63 3d3s h ALA 13 N 1.50 0.76 -0.23 3.60 0.00 -1.84 -1.24 119.26 121.80 3d3s h ALA 13 Ca 0.28 -0.15 -0.13 0.00 0.00 0.00 0.00 54.91 54.91 3d3s h ALA 13 Cb 0.43 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3d3s h ALA 13 CO -0.47 0.35 -0.41 0.00 0.00 0.00 0.00 179.25 178.71 3d3s h ALA 14 N 1.10 0.85 -0.38 0.00 0.00 -1.67 -0.40 119.26 118.76 3d3s h ALA 14 Ca 0.20 -0.44 -0.07 0.00 0.00 0.00 0.00 54.91 54.59 3d3s h ALA 14 Cb 0.16 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3d3s h ALA 14 CO -0.02 0.65 -0.05 0.82 0.00 0.00 0.00 179.25 180.65 3d3s h ILE 15 N 0.46 1.27 -0.48 0.00 2.04 -0.82 0.05 117.51 120.03 3d3s h ILE 15 Ca 0.04 -1.09 -0.02 0.00 1.00 0.00 0.00 64.86 64.79 3d3s h ILE 15 Cb 0.91 1.21 -0.02 0.00 -0.74 0.00 0.00 36.82 38.18 3d3s h ILE 15 CO 0.08 0.36 0.23 -0.74 0.00 0.00 0.00 178.15 178.09 3d3s h HIS 16 N 0.51 0.69 -0.22 1.37 2.76 -1.06 -0.70 115.15 118.51 3d3s h HIS 16 Ca 0.10 -0.03 0.03 0.00 -2.20 0.00 0.00 60.37 58.27 3d3s h HIS 16 Cb 0.54 -0.22 -0.03 0.00 1.55 0.00 0.00 27.41 29.25 3d3s h HIS 16 CO 0.04 0.55 0.00 0.37 -1.30 0.00 0.00 177.93 177.60 3d3s h GLN 17 N 0.64 0.07 -0.23 5.26 4.15 -0.91 -1.42 115.11 122.68 3d3s h GLN 17 Ca 0.17 -0.00 0.06 0.00 0.77 0.00 0.00 58.65 59.64 3d3s h GLN 17 Cb 0.12 -0.02 -0.07 0.00 0.21 0.00 0.00 27.48 27.72 3d3s h GLN 17 CO -0.02 0.05 -0.34 1.25 -1.93 0.00 0.00 178.83 177.84 3d3s h LEU 18 N 0.08 -1.08 -0.85 -2.39 5.85 -0.41 -1.29 115.31 115.21 3d3s h LEU 18 Ca 0.10 0.17 0.05 0.00 0.84 0.00 0.00 57.88 59.04 3d3s h LEU 18 Cb 0.12 0.47 -0.06 0.00 0.37 0.00 0.00 40.66 41.57 3d3s h LEU 18 CO -0.17 -0.36 0.53 0.58 -0.34 0.00 0.00 178.44 178.69 3d3s h VAL 19 N -0.36 1.06 0.00 1.05 2.07 -0.97 -0.68 116.25 118.43 3d3s h VAL 19 Ca 0.12 -0.34 -0.00 0.00 0.82 0.00 0.00 66.70 67.30 3d3s h VAL 19 Cb 0.55 -0.01 -0.00 0.00 -1.52 0.00 0.00 31.29 30.31 3d3s h VAL 19 CO -0.43 0.18 -0.01 0.28 0.02 0.00 0.00 177.57 177.61 3d3s h SER 20 N 0.99 0.00 -0.49 0.57 0.02 -0.66 -1.16 113.55 112.81 3d3s h SER 20 Ca 0.36 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.31 3d3s h SER 20 Cb 0.13 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.67 3d3s h SER 20 CO -0.16 0.01 0.00 -0.62 -1.14 0.00 0.00 176.83 174.92 3d3s n GLU 21 N -3.18 3.37 -2.60 3.45 1.02 -0.31 -4.62 120.64 117.77 3d3s n GLU 21 Ca -0.02 -2.69 -0.26 0.00 -0.02 0.00 0.00 57.16 54.17 3d3s n GLU 21 Cb 0.14 -1.74 -0.01 0.00 -0.02 0.00 0.00 31.44 29.81 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 -3.49 2.78 -0.26 0.00 0.04 -1.26 -1.44 135.00 131.37 3d3s s PRO 23 Ca 0.47 2.00 0.06 0.00 0.04 0.00 0.00 61.00 63.57 3d3s s PRO 23 Cb 0.38 -1.93 0.55 0.00 0.04 0.00 0.00 34.50 33.53 3d3s s PRO 23 CO -0.17 -1.40 1.57 -0.35 0.04 0.00 0.00 177.00 176.69 3d3s n PRO 24 N -1.68 2.81 -1.73 0.56 -0.04 -1.26 -5.13 135.00 128.53 3d3s n PRO 24 Ca 0.14 -2.27 -0.40 0.00 -0.04 0.00 0.00 63.50 60.93 3d3s n PRO 24 Cb 0.48 -1.96 0.02 0.00 -0.04 0.00 0.00 33.50 32.00 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 -0.19 4.81 -4.73 1.53 4.77 -0.52 -4.58 117.00 118.08 3d3s n LEU 25 Ca 0.34 1.07 -0.42 0.00 -0.03 0.00 0.00 56.01 56.97 3d3s n LEU 25 Cb 1.18 -1.56 -0.03 0.00 -2.33 0.00 0.00 43.42 40.69 3d3s n LEU 25 CO 0.36 -0.47 1.15 -1.81 -1.33 0.00 0.00 177.39 175.28 3d3s s ASP 26 N -0.62 6.64 -0.26 -1.43 1.01 -1.26 -4.96 116.67 115.78 3d3s s ASP 26 Ca 0.64 2.63 -0.13 0.00 0.71 0.00 0.00 52.55 56.40 3d3s s ASP 26 Cb -0.46 -2.61 -0.04 0.00 1.01 0.00 0.00 42.92 40.82 3d3s s ASP 26 CO 0.55 -0.75 0.30 -0.22 0.21 0.00 0.00 175.17 175.26 3d3s s LEU 27 N 0.26 4.06 0.63 1.23 2.96 -1.26 -5.00 118.68 121.56 3d3s s LEU 27 Ca 0.63 0.21 0.01 0.00 -0.22 0.00 0.00 54.13 54.77 3d3s s LEU 27 Cb -0.42 -2.31 0.08 0.00 0.50 0.00 0.00 46.19 44.04 3d3s s LEU 27 CO 0.38 -0.10 0.87 0.20 -1.32 0.00 0.00 176.35 176.39 3d3s s ASN 28 N 1.51 4.83 0.86 3.68 0.01 -1.26 -5.07 114.94 119.51 3d3s s ASN 28 Ca 0.12 -0.26 -0.11 0.00 -0.71 0.00 0.00 52.86 51.90 3d3s s ASN 28 Cb -0.15 -0.36 0.11 0.00 0.41 0.00 0.00 41.25 41.26 3d3s s ASN 28 CO 0.09 -1.49 1.14 -0.94 -1.51 0.00 0.00 177.10 174.39 3d3s s SER 29 N -4.59 3.41 0.27 -1.22 1.04 -1.26 -4.89 113.70 106.45 3d3s s SER 29 Ca 0.62 2.12 -0.03 0.00 0.48 0.00 0.00 55.95 59.15 3d3s s SER 29 Cb -0.08 -2.56 0.40 0.00 0.10 0.00 0.00 66.02 63.88 3d3s s SER 29 CO 0.41 -2.77 1.89 0.25 0.98 0.00 0.00 173.24 174.00 3d3s h LEU 30 N -1.54 1.05 -1.16 2.42 5.85 -1.97 -1.98 115.31 117.98 3d3s h LEU 30 Ca -0.44 0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.31 3d3s h LEU 30 Cb 1.26 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 42.03 3d3s h LEU 30 CO 0.45 0.68 0.57 0.22 -0.34 0.00 0.00 178.44 180.02 3d3s h TYR 31 N 1.19 1.07 -0.93 1.25 5.03 -1.96 -0.76 116.97 121.86 3d3s h TYR 31 Ca 0.42 0.03 0.01 0.00 2.58 0.00 0.00 58.73 61.77 3d3s h TYR 31 Cb 0.13 -0.36 -0.05 0.00 1.55 0.00 0.00 36.73 38.01 3d3s h TYR 31 CO -0.00 0.65 0.60 0.00 -1.32 0.00 0.00 178.16 178.09 3d3s h ALA 32 N 1.48 1.18 -0.47 1.82 0.00 -1.71 -0.58 119.26 120.98 3d3s h ALA 32 Ca 0.33 -0.07 -0.13 0.00 0.00 0.00 0.00 54.91 55.03 3d3s h ALA 32 Cb -0.07 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.33 3d3s h ALA 32 CO -0.08 0.60 -0.21 1.88 0.00 0.00 0.00 179.25 181.43 3d3s h TYR 33 N 1.27 1.10 -0.85 0.00 0.05 -1.17 -2.40 116.97 114.96 3d3s h TYR 33 Ca 0.34 -0.26 0.07 0.00 0.05 0.00 0.00 58.73 58.93 3d3s h TYR 33 Cb -0.12 -0.26 -0.07 0.00 1.01 0.00 0.00 36.73 37.29 3d3s h TYR 33 CO -0.00 1.07 0.52 -0.07 -1.05 0.00 0.00 178.16 178.63 3d3s h LEU 34 N 0.83 0.79 -0.82 3.88 3.38 -0.74 -1.47 115.31 121.17 3d3s h LEU 34 Ca 0.11 0.03 -0.08 0.00 0.09 0.00 0.00 57.88 58.02 3d3s h LEU 34 Cb 0.78 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.37 3d3s h LEU 34 CO 0.06 0.49 -0.02 -0.07 0.09 0.00 0.00 178.44 179.00 3d3s h LEU 35 N 0.92 0.85 -0.69 1.67 3.38 -0.92 0.52 115.31 121.03 3d3s h LEU 35 Ca 0.39 -0.22 -0.04 0.00 0.09 0.00 0.00 57.88 58.09 3d3s h LEU 35 Cb 0.24 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 3d3s h LEU 35 CO -0.20 0.92 0.26 -0.07 0.09 0.00 0.00 178.44 179.44 3d3s h LEU 36 N 0.80 0.96 -0.59 1.67 3.38 -0.96 0.56 115.31 121.13 3d3s h LEU 36 Ca 0.15 -0.18 -0.10 0.00 0.09 0.00 0.00 57.88 57.84 3d3s h LEU 36 Cb 0.51 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 3d3s h LEU 36 CO 0.03 0.88 -0.02 0.00 0.09 0.00 0.00 178.44 179.41 3d3s h GLU 38 N 0.96 0.52 0.00 0.00 4.57 -0.67 -3.35 114.58 116.61 3d3s h GLU 38 Ca 0.17 -0.61 -0.06 0.00 -1.18 0.00 0.00 59.36 57.67 3d3s h GLU 38 Cb 0.59 0.19 -0.01 0.00 -0.16 0.00 0.00 28.75 29.35 3d3s h GLU 38 CO 0.04 1.24 -1.66 0.72 -1.18 0.00 0.00 179.01 178.16 3d3s n HIS 39 N -4.03 0.00 -1.35 0.92 8.25 0.17 -4.70 115.22 114.48 3d3s n HIS 39 Ca -0.12 0.00 0.08 0.00 -0.26 0.00 0.00 57.72 57.42 3d3s n HIS 39 Cb 0.81 -0.38 0.13 0.00 1.12 0.00 0.00 29.99 31.67 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 -2.09 0.00 -0.00 4.41 8.25 -0.38 -4.82 115.22 120.59 3d3s n HIS 40 Ca -0.07 -0.94 0.03 0.00 -0.26 0.00 0.00 57.72 56.48 3d3s n HIS 40 Cb 0.49 -0.16 0.40 0.00 1.12 0.00 0.00 29.99 31.84 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 0.23 1.65 0.00 -1.41 0.00 -1.64 -1.19 119.26 116.89 3d3s h ALA 41 Ca -0.01 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 3d3s h ALA 41 Cb 1.09 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.71 3d3s h ALA 41 CO 0.00 0.30 -0.00 0.45 0.00 0.00 0.00 179.25 180.01 3d3s h HIS 42 N 0.55 0.00 -0.18 0.00 3.86 -1.90 -2.39 115.15 115.09 3d3s h HIS 42 Ca 0.15 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.36 3d3s h HIS 42 Cb 0.00 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.47 3d3s h HIS 42 CO 0.00 0.00 0.00 0.25 0.86 0.00 0.00 177.93 179.04 3d3s n THR 43 N -3.09 0.89 -4.39 2.45 -2.24 -0.49 -4.91 114.28 102.49 3d3s n THR 43 Ca -0.01 -0.94 -0.26 0.00 -2.27 0.00 0.00 64.05 60.57 3d3s n THR 43 Cb 0.22 0.57 -0.09 0.00 -2.10 0.00 0.00 70.33 68.93 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 0.04 0.12 0.00 0.11 -0.89 -4.34 120.40 112.80 3d3s s VAL 45 Ca 0.37 -0.31 0.10 0.00 -2.93 0.00 0.00 61.98 59.22 3d3s s VAL 45 Cb 0.06 -0.69 -0.04 0.00 -1.53 0.00 0.00 36.38 34.19 3d3s s VAL 45 CO 0.20 -0.17 -0.24 0.68 -3.33 0.00 0.00 175.10 172.24 3d3s s VAL 46 N -1.06 2.46 -0.29 2.04 -7.23 0.22 -1.46 120.40 115.08 3d3s s VAL 46 Ca -0.11 -1.66 -0.07 0.00 -1.81 0.00 0.00 61.98 58.32 3d3s s VAL 46 Cb -0.04 -2.10 0.01 0.00 0.56 0.00 0.00 36.38 34.80 3d3s s VAL 46 CO 0.05 0.10 0.09 0.00 -0.31 0.00 0.00 175.10 175.03 3d3s s ALA 47 N -1.08 3.10 -0.18 1.32 0.00 -0.46 -1.58 121.76 122.88 3d3s s ALA 47 Ca 0.15 -1.43 -0.04 0.00 0.00 0.00 0.00 51.96 50.65 3d3s s ALA 47 Cb -0.10 -2.18 -0.02 0.00 0.00 0.00 0.00 23.12 20.82 3d3s s ALA 47 CO 0.07 -0.90 -0.03 -2.00 0.00 0.00 0.00 175.76 172.90 3d3s s GLU 48 N 1.52 3.58 0.92 0.00 2.12 0.11 -1.29 118.70 125.67 3d3s s GLU 48 Ca 0.03 -0.55 -0.12 0.00 0.36 0.00 0.00 54.97 54.69 3d3s s GLU 48 Cb -0.17 -2.96 0.14 0.00 0.26 0.00 0.00 34.13 31.41 3d3s s GLU 48 CO 0.03 0.09 1.10 -1.54 -0.54 0.00 0.00 175.26 174.40 3d3s s SER 49 N 0.75 3.29 0.38 -1.70 1.04 0.71 -0.61 113.70 117.56 3d3s s SER 49 Ca -0.01 1.30 0.13 0.00 0.48 0.00 0.00 55.95 57.84 3d3s s SER 49 Cb -0.14 -1.97 0.95 0.00 0.10 0.00 0.00 66.02 64.95 3d3s s SER 49 CO 0.02 -2.73 1.83 -0.65 0.98 0.00 0.00 173.24 172.70 3d3s h PRO 50 N -1.61 0.54 -0.04 4.02 0.11 -1.90 0.13 132.00 133.25 3d3s h PRO 50 Ca -0.51 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.57 3d3s h PRO 50 Cb 1.30 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3d3s h PRO 50 CO 0.57 0.36 0.00 0.41 -0.21 0.00 0.00 178.00 179.13 3d3s n GLY 51 N -1.45 -0.51 0.38 -0.55 0.00 -1.26 -4.89 105.19 96.90 3d3s n GLY 51 Ca 0.20 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 1.00 0.74 3.76 -0.02 0.00 0.45 -5.06 105.19 106.06 3d3s n GLY 52 Ca 0.18 0.00 -0.40 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 -0.85 4.74 -0.41 1.61 3.52 -1.26 -4.70 118.95 121.61 3d3s s ARG 53 Ca 0.00 1.36 -0.23 0.00 -0.13 0.00 0.00 55.73 56.73 3d3s s ARG 53 Cb 0.00 -3.25 0.02 0.00 -1.56 0.00 0.00 34.95 30.16 3d3s s ARG 53 CO 0.00 0.53 0.78 0.42 -0.81 0.00 0.00 175.30 176.22 3d3s s ILE 54 N -1.19 4.69 -1.68 4.11 1.01 -1.26 -0.21 121.20 126.67 3d3s s ILE 54 Ca 0.39 0.65 0.13 0.00 0.00 0.00 0.00 60.65 61.82 3d3s s ILE 54 Cb -0.25 -4.26 0.11 0.00 0.01 0.00 0.00 42.46 38.07 3d3s s ILE 54 CO 0.29 -0.58 0.93 0.47 0.00 0.00 0.00 174.94 176.06 3d3s n ASP 55 N 6.57 2.14 -3.67 3.58 8.00 -0.41 -4.82 116.55 127.94 3d3s n ASP 55 Ca 0.03 -1.57 -0.15 0.00 0.71 0.00 0.00 54.79 53.81 3d3s n ASP 55 Cb 0.48 -0.00 -0.07 0.00 -0.02 0.00 0.00 41.12 41.51 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 -1.12 -0.31 -0.19 0.44 0.00 -1.21 -1.28 107.32 103.66 3d3s s GLY 56 Ca 0.16 0.63 -0.23 0.00 0.00 0.00 0.00 44.72 45.28 3d3s s GLY 56 CO 0.17 0.36 0.61 -0.12 0.00 0.00 0.00 173.10 174.12 3d3s s PHE 57 N -1.49 -0.64 -0.09 1.90 5.36 -0.44 -1.36 117.98 121.22 3d3s s PHE 57 Ca -0.11 1.48 0.01 0.00 -0.96 0.00 0.00 56.93 57.35 3d3s s PHE 57 Cb -0.03 0.25 0.02 0.00 -0.34 0.00 0.00 43.02 42.92 3d3s s PHE 57 CO 0.05 -0.38 -0.11 0.08 -1.46 0.00 0.00 175.22 173.40 3d3s s VAL 58 N -0.05 1.15 -0.14 3.12 1.01 -0.54 -0.75 120.40 124.21 3d3s s VAL 58 Ca -0.03 -0.44 -0.08 0.00 0.00 0.00 0.00 61.98 61.43 3d3s s VAL 58 Cb -0.04 -1.09 -0.04 0.00 0.00 0.00 0.00 36.38 35.22 3d3s s VAL 58 CO 0.03 0.37 0.13 -0.94 0.00 0.00 0.00 175.10 174.68 3d3s s SER 59 N 1.02 6.24 0.23 3.32 1.04 -0.52 -2.09 113.70 122.94 3d3s s SER 59 Ca -0.08 0.36 -0.21 0.00 0.48 0.00 0.00 55.95 56.50 3d3s s SER 59 Cb -0.15 -2.04 0.04 0.00 0.10 0.00 0.00 66.02 63.98 3d3s s SER 59 CO -0.01 0.33 0.66 0.00 0.98 0.00 0.00 173.24 175.20 3d3s s ALA 60 N -0.55 -1.35 0.03 5.32 0.00 -1.23 -0.42 121.76 123.56 3d3s s ALA 60 Ca 0.12 0.01 -0.28 0.00 0.00 0.00 0.00 51.96 51.82 3d3s s ALA 60 Cb -0.12 0.87 0.08 0.00 0.00 0.00 0.00 23.12 23.95 3d3s s ALA 60 CO 0.02 -0.91 0.69 1.52 0.00 0.00 0.00 175.76 177.08 3d3s s TYR 61 N -3.85 -0.56 0.34 0.00 -0.85 -0.48 -4.40 117.35 107.54 3d3s s TYR 61 Ca 0.07 0.69 -0.26 0.00 -0.52 0.00 0.00 57.07 57.05 3d3s s TYR 61 Cb -0.04 0.48 -0.09 0.00 0.38 0.00 0.00 41.96 42.70 3d3s s TYR 61 CO -0.02 -0.68 1.03 -0.51 -1.52 0.00 0.00 175.55 173.85 3d3s s LEU 62 N -1.92 4.33 0.03 -3.49 1.43 -1.26 -0.18 118.68 117.61 3d3s s LEU 62 Ca -0.04 2.04 -0.30 0.00 -1.03 0.00 0.00 54.13 54.79 3d3s s LEU 62 Cb -0.01 -3.96 -0.05 0.00 0.03 0.00 0.00 46.19 42.20 3d3s s LEU 62 CO -0.02 -0.25 1.24 -0.76 0.23 0.00 0.00 176.35 176.79 3d3s s LEU 63 N -2.09 4.34 0.39 1.79 1.43 -0.45 -4.89 118.68 119.21 3d3s s LEU 63 Ca 0.51 1.99 0.10 0.00 -1.03 0.00 0.00 54.13 55.71 3d3s s LEU 63 Cb -0.24 -3.57 0.88 0.00 0.03 0.00 0.00 46.19 43.29 3d3s s LEU 63 CO 0.30 -0.55 1.94 -0.65 0.23 0.00 0.00 176.35 177.62 3d3s h PRO 64 N 7.12 0.59 -0.01 1.29 0.11 -1.94 -1.41 132.00 137.75 3d3s h PRO 64 Ca -0.39 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.68 3d3s h PRO 64 Cb 1.20 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.17 3d3s h PRO 64 CO 0.85 0.39 -0.43 0.25 -0.21 0.00 0.00 178.00 178.84 3d3s n THR 65 N -4.50 0.00 -3.04 -1.15 -2.24 -1.26 -4.50 114.28 97.59 3d3s n THR 65 Ca 0.13 -0.08 -0.17 0.00 -2.27 0.00 0.00 64.05 61.65 3d3s n THR 65 Cb 0.37 0.48 -0.01 0.00 -2.10 0.00 0.00 70.33 69.07 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 -0.97 0.84 0.07 -0.78 1.74 -0.60 -5.03 116.66 111.94 3d3s n ARG 66 Ca 0.09 -2.79 0.08 0.00 -0.77 0.00 0.00 57.85 54.45 3d3s n ARG 66 Cb 0.35 -1.37 0.35 0.00 -1.02 0.00 0.00 32.46 30.77 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 1.00 0.08 0.00 5.56 -0.04 -0.82 -0.67 135.00 140.12 3d3s n PRO 67 Ca 0.18 0.43 0.13 0.00 -0.04 0.00 0.00 63.50 64.20 3d3s n PRO 67 Cb 0.61 -1.70 0.75 0.00 -0.04 0.00 0.00 33.50 33.12 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 -1.87 0.00 -4.44 3.54 5.75 -1.26 -4.64 116.55 113.64 3d3s n ASP 68 Ca 0.01 -0.55 -0.34 0.00 -0.01 0.00 0.00 54.79 53.90 3d3s n ASP 68 Cb 0.12 -0.12 -0.13 0.00 -1.03 0.00 0.00 41.12 39.97 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 -2.23 3.79 -0.24 2.12 1.01 0.15 0.09 120.40 125.09 3d3s s VAL 69 Ca 0.35 -0.38 -0.14 0.00 0.00 0.00 0.00 61.98 61.81 3d3s s VAL 69 Cb 0.18 -2.69 -0.04 0.00 0.00 0.00 0.00 36.38 33.83 3d3s s VAL 69 CO 0.35 0.45 0.33 -0.22 0.00 0.00 0.00 175.10 176.01 3d3s s LEU 70 N 0.83 4.10 -0.23 3.92 2.96 -0.49 -1.34 118.68 128.43 3d3s s LEU 70 Ca -0.00 0.32 -0.08 0.00 -0.22 0.00 0.00 54.13 54.14 3d3s s LEU 70 Cb -0.14 -2.38 -0.04 0.00 0.50 0.00 0.00 46.19 44.13 3d3s s LEU 70 CO 0.02 -0.08 0.10 0.12 -1.32 0.00 0.00 176.35 175.18 3d3s s PHE 71 N 1.56 3.21 -0.25 5.38 5.36 0.75 -0.97 117.98 133.01 3d3s s PHE 71 Ca 0.15 -0.03 -0.13 0.00 -0.96 0.00 0.00 56.93 55.96 3d3s s PHE 71 Cb -0.15 -2.20 -0.04 0.00 -0.34 0.00 0.00 43.02 40.28 3d3s s PHE 71 CO 0.08 -0.05 0.26 0.08 -1.46 0.00 0.00 175.22 174.13 3d3s s VAL 72 N 1.05 5.27 -0.11 3.12 1.01 0.21 -1.39 120.40 129.56 3d3s s VAL 72 Ca 0.05 0.37 -0.05 0.00 0.00 0.00 0.00 61.98 62.35 3d3s s VAL 72 Cb -0.14 -3.60 -0.02 0.00 0.00 0.00 0.00 36.38 32.63 3d3s s VAL 72 CO 0.04 0.25 -0.09 -0.25 0.00 0.00 0.00 175.10 175.05 3d3s h TRP 73 N 7.93 0.00 -3.96 5.22 7.01 -1.06 -3.39 115.95 127.70 3d3s h TRP 73 Ca -0.35 0.00 -0.32 0.00 2.11 0.00 0.00 58.89 60.33 3d3s h TRP 73 Cb 1.17 0.00 -0.25 0.00 -2.10 0.00 0.00 29.16 27.98 3d3s h TRP 73 CO 0.72 0.00 -0.75 -0.65 -2.79 0.00 0.00 178.44 174.97 3d3s s GLN 74 N -1.85 0.55 -0.19 2.65 -0.21 -1.18 -4.87 119.66 114.56 3d3s s GLN 74 Ca -0.07 -0.51 0.01 0.00 0.02 0.00 0.00 55.36 54.80 3d3s s GLN 74 Cb 0.01 -0.45 0.04 0.00 1.00 0.00 0.00 33.01 33.61 3d3s s GLN 74 CO 0.11 0.11 -0.11 0.08 -2.12 0.00 0.00 175.29 173.35 3d3s s VAL 75 N -0.76 1.63 -0.18 1.09 1.01 -1.26 -1.43 120.40 120.50 3d3s s VAL 75 Ca -0.03 -0.91 -0.00 0.00 0.00 0.00 0.00 61.98 61.04 3d3s s VAL 75 Cb -0.06 -1.66 0.01 0.00 0.00 0.00 0.00 36.38 34.67 3d3s s VAL 75 CO 0.00 0.25 -0.16 0.00 0.00 0.00 0.00 175.10 175.20 3d3s s ALA 76 N 1.42 2.47 -0.12 5.51 0.00 0.07 -5.01 121.76 126.10 3d3s s ALA 76 Ca 0.00 -1.16 -0.00 0.00 0.00 0.00 0.00 51.96 50.81 3d3s s ALA 76 Cb -0.15 -1.29 0.02 0.00 0.00 0.00 0.00 23.12 21.70 3d3s s ALA 76 CO -0.09 -0.27 -0.10 0.08 0.00 0.00 0.00 175.76 175.38 3d3s s VAL 77 N 1.19 1.21 0.49 0.00 1.01 -1.26 -1.33 120.40 121.70 3d3s s VAL 77 Ca 0.02 -0.41 -0.23 0.00 0.00 0.00 0.00 61.98 61.36 3d3s s VAL 77 Cb -0.14 -1.18 -0.07 0.00 0.00 0.00 0.00 36.38 34.99 3d3s s VAL 77 CO -0.07 0.40 1.29 -2.28 0.00 0.00 0.00 175.10 174.44 3d3s s HIS 78 N 1.57 2.58 0.61 5.22 2.46 -0.40 -4.88 115.29 122.44 3d3s s HIS 78 Ca 0.04 1.42 0.30 0.00 0.47 0.00 0.00 55.06 57.29 3d3s s HIS 78 Cb -0.13 -3.65 1.64 0.00 -0.13 0.00 0.00 32.58 30.31 3d3s s HIS 78 CO -0.08 -2.32 2.01 0.66 -2.47 0.00 0.00 174.74 172.55 3d3s h SER 79 N 1.92 0.00 1.09 9.88 4.64 -1.91 -0.32 113.55 128.85 3d3s h SER 79 Ca -0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 3d3s h SER 79 Cb 1.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 3d3s h SER 79 CO 0.59 0.00 0.00 -2.11 -0.87 0.00 0.00 176.83 174.44 3d3s n ARG 80 N -3.56 0.11 -0.52 4.77 1.85 -1.26 -3.26 116.66 114.79 3d3s n ARG 80 Ca 0.03 0.14 0.08 0.00 -1.00 0.00 0.00 57.85 57.10 3d3s n ARG 80 Cb 0.43 -1.64 0.29 0.00 -1.05 0.00 0.00 32.46 30.49 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 -1.62 3.01 -1.79 2.89 0.00 -0.13 -5.03 120.51 117.83 3d3s n ALA 81 Ca 0.06 -1.82 -0.35 0.00 0.00 0.00 0.00 53.44 51.34 3d3s n ALA 81 Cb 0.34 -0.82 -0.02 0.00 0.00 0.00 0.00 19.45 18.96 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 -2.17 3.58 0.00 0.00 0.52 -1.20 -3.73 118.95 115.95 3d3s s ARG 82 Ca 0.43 1.49 0.00 0.00 -0.52 0.00 0.00 55.73 57.14 3d3s s ARG 82 Cb 0.31 -2.06 0.00 0.00 0.52 0.00 0.00 34.95 33.72 3d3s s ARG 82 CO 0.16 -0.64 0.00 0.41 0.02 0.00 0.00 175.30 175.25 3d3s n GLY 83 N -0.03 0.50 0.00 -3.53 0.00 -1.26 -4.92 105.19 95.94 3d3s n GLY 83 Ca 0.10 -0.90 0.00 0.00 0.00 0.00 0.00 46.02 45.23 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 -3.10 0.00 -4.35 1.61 8.25 -1.24 -4.99 115.22 111.40 3d3s n HIS 84 Ca 0.00 -0.20 -0.39 0.00 -0.26 0.00 0.00 57.72 56.87 3d3s n HIS 84 Cb 0.13 -0.02 -0.05 0.00 1.12 0.00 0.00 29.99 31.18 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 -0.20 -2.16 -0.01 -0.41 1.74 -1.26 -4.87 116.66 109.49 3d3s n ARG 85 Ca 0.00 0.28 0.01 0.00 -0.77 0.00 0.00 57.85 57.37 3d3s n ARG 85 Cb 0.13 -4.95 0.34 0.00 -1.02 0.00 0.00 32.46 26.96 3d3s n ARG 85 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 3d3s h LEU 86 N -1.23 0.50 -0.22 0.55 3.38 -1.94 -1.91 115.31 114.43 3d3s h LEU 86 Ca -0.59 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 57.31 3d3s h LEU 86 Cb 1.38 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 42.00 3d3s h LEU 86 CO 0.83 0.49 0.13 1.23 0.09 0.00 0.00 178.44 181.21 3d3s h GLY 87 N 0.75 0.32 1.34 0.83 0.00 -1.94 -2.96 103.07 101.41 3d3s h GLY 87 Ca 0.13 -0.13 -0.18 0.00 0.00 0.00 0.00 47.33 47.15 3d3s h GLY 87 CO -0.01 0.13 -0.59 3.21 0.00 0.00 0.00 176.54 179.28 3d3s h ARG 88 N 0.27 0.68 -0.52 4.80 3.08 -1.84 -1.43 114.38 119.43 3d3s h ARG 88 Ca 0.08 -0.46 0.00 0.00 0.07 0.00 0.00 59.98 59.67 3d3s h ARG 88 Cb 0.02 0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.13 3d3s h ARG 88 CO -0.02 1.08 0.00 0.00 -1.07 0.00 0.00 179.97 179.96 3d3s n ALA 89 N -2.55 1.12 0.00 0.04 0.00 -0.73 -0.92 120.51 117.47 3d3s n ALA 89 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.40 3d3s n ALA 89 Cb 0.64 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 19.10 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 0.63 0.00 -0.33 0.00 4.77 -0.54 -1.09 117.00 120.43 3d3s n LEU 91 Ca 0.00 0.00 -0.02 0.00 -0.03 0.00 0.00 56.01 55.96 3d3s n LEU 91 Cb 0.00 0.00 0.11 0.00 -2.33 0.00 0.00 43.42 41.20 3d3s n LEU 91 CO 0.00 0.00 1.24 1.23 -1.33 0.00 0.00 177.39 178.53 3d3s h GLY 92 N 0.00 1.29 0.97 -0.72 0.00 -1.30 -1.25 103.07 102.06 3d3s h GLY 92 Ca 0.00 -0.45 0.01 0.00 0.00 0.00 0.00 47.33 46.89 3d3s h GLY 92 CO 0.00 0.41 0.35 0.84 0.00 0.00 0.00 176.54 178.14 3d3s h HIS 93 N 1.16 0.66 -0.34 5.60 6.17 -1.36 -1.21 115.15 125.83 3d3s h HIS 93 Ca 0.35 0.02 -0.02 0.00 0.71 0.00 0.00 60.37 61.42 3d3s h HIS 93 Cb -0.05 -0.22 -0.01 0.00 2.52 0.00 0.00 27.41 29.65 3d3s h HIS 93 CO -0.01 0.40 0.13 0.82 0.71 0.00 0.00 177.93 179.97 3d3s h ILE 94 N 0.70 1.19 0.00 6.26 2.04 -1.79 -3.01 117.51 122.91 3d3s h ILE 94 Ca 0.20 -0.60 -0.03 0.00 1.00 0.00 0.00 64.86 65.43 3d3s h ILE 94 Cb -0.05 0.96 -0.00 0.00 -0.74 0.00 0.00 36.82 36.98 3d3s h ILE 94 CO -0.06 0.21 -0.15 -0.07 0.00 0.00 0.00 178.15 178.08 3d3s h LEU 95 N 0.39 0.00 -0.29 1.44 3.38 -0.93 -2.28 115.31 117.02 3d3s h LEU 95 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 3d3s h LEU 95 Cb 0.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.95 3d3s h LEU 95 CO -0.01 0.15 -0.19 -0.62 0.09 0.00 0.00 178.44 177.87 3d3s n GLU 96 N -3.61 0.65 -1.85 1.13 1.02 -0.48 -4.72 120.64 112.78 3d3s n GLU 96 Ca -0.01 -0.29 -0.35 0.00 -0.02 0.00 0.00 57.16 56.48 3d3s n GLU 96 Cb 0.28 -1.49 0.05 0.00 -0.02 0.00 0.00 31.44 30.25 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 -2.55 2.78 0.47 3.49 0.52 -0.86 -4.93 118.95 117.88 3d3s s ARG 97 Ca 0.25 1.70 0.15 0.00 -0.52 0.00 0.00 55.73 57.31 3d3s s ARG 97 Cb 0.19 -1.92 1.09 0.00 0.52 0.00 0.00 34.95 34.84 3d3s s ARG 97 CO 0.51 -1.32 2.05 0.37 0.02 0.00 0.00 175.30 176.93 3d3s h GLN 98 N 0.47 0.02 0.00 3.54 4.15 -1.91 -0.89 115.11 120.49 3d3s h GLN 98 Ca -0.49 -0.00 -0.01 0.00 0.77 0.00 0.00 58.65 58.92 3d3s h GLN 98 Cb 1.28 -0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.97 3d3s h GLN 98 CO 0.54 0.12 -0.03 0.93 -1.93 0.00 0.00 178.83 178.46 3d3s h GLU 99 N 0.01 0.00 -0.47 1.69 3.07 -1.91 -1.24 114.58 115.73 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 0.19 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.10 3d3s h GLU 99 CO 0.01 0.03 0.00 0.00 -1.40 0.00 0.00 179.01 177.65 3d3s h ARG 101 N 3.02 0.00 -0.56 0.00 0.11 -1.09 -2.01 114.38 113.85 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 1.35 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.43 3d3s h ARG 101 CO 0.20 0.00 0.00 0.72 0.10 0.00 0.00 179.97 180.99 3d3s n HIS 102 N -3.73 1.01 -2.39 4.08 8.25 -1.26 -4.96 115.22 116.22 3d3s n HIS 102 Ca -0.01 -0.57 -0.42 0.00 -0.26 0.00 0.00 57.72 56.45 3d3s n HIS 102 Cb 0.17 -0.12 -0.03 0.00 1.12 0.00 0.00 29.99 31.14 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 -1.45 4.07 -0.06 1.59 1.01 -0.76 -4.51 120.40 120.29 3d3s s VAL 103 Ca 0.42 1.43 0.08 0.00 0.00 0.00 0.00 61.98 63.91 3d3s s VAL 103 Cb 0.25 -3.92 -0.13 0.00 0.00 0.00 0.00 36.38 32.59 3d3s s VAL 103 CO 0.23 0.01 0.21 -1.14 0.00 0.00 0.00 175.10 174.41 3d3s n ARG 104 N 5.09 0.75 -3.96 2.72 0.63 0.11 -4.70 116.66 117.31 3d3s n ARG 104 Ca 0.11 -0.07 -0.09 0.00 -0.92 0.00 0.00 57.85 56.88 3d3s n ARG 104 Cb 0.45 -1.16 -0.10 0.00 0.45 0.00 0.00 32.46 32.10 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 -2.49 0.22 -0.06 -0.14 3.76 -0.95 -0.24 115.29 115.40 3d3s s HIS 105 Ca -0.02 -0.48 0.05 0.00 -0.15 0.00 0.00 55.06 54.45 3d3s s HIS 105 Cb 0.05 -0.17 -0.02 0.00 1.11 0.00 0.00 32.58 33.56 3d3s s HIS 105 CO 0.35 -0.25 -0.19 -1.17 -0.85 0.00 0.00 174.74 172.63 3d3s s LEU 106 N -1.64 2.42 0.07 0.89 0.20 -0.04 -1.40 118.68 119.18 3d3s s LEU 106 Ca -0.13 -0.36 0.06 0.00 0.69 0.00 0.00 54.13 54.39 3d3s s LEU 106 Cb -0.07 -1.47 -0.03 0.00 -0.43 0.00 0.00 46.19 44.19 3d3s s LEU 106 CO -0.02 0.28 -0.16 -1.61 -0.29 0.00 0.00 176.35 174.56 3d3s s GLU 107 N -0.37 0.96 0.22 1.98 2.02 -0.15 -0.76 118.70 122.60 3d3s s GLU 107 Ca 0.03 -0.94 -0.23 0.00 0.02 0.00 0.00 54.97 53.86 3d3s s GLU 107 Cb -0.12 -1.03 0.04 0.00 0.10 0.00 0.00 34.13 33.11 3d3s s GLU 107 CO 0.02 0.24 0.82 -0.08 0.02 0.00 0.00 175.26 176.28 3d3s s THR 108 N -1.08 0.00 0.00 3.63 -1.32 -0.88 -0.62 115.64 115.37 3d3s s THR 108 Ca 0.02 -0.84 0.04 0.00 -1.21 0.00 0.00 61.69 59.70 3d3s s THR 108 Cb -0.09 -1.97 -0.03 0.00 -1.51 0.00 0.00 72.50 68.90 3d3s s THR 108 CO 0.02 0.00 -0.08 0.42 -2.21 0.00 0.00 174.62 172.77 3d3s s THR 109 N -3.65 3.53 -0.25 5.08 -4.23 -1.26 -0.48 115.64 114.38 3d3s s THR 109 Ca 0.11 -0.81 0.02 0.00 -1.18 0.00 0.00 61.69 59.83 3d3s s THR 109 Cb -0.04 -2.52 0.05 0.00 1.34 0.00 0.00 72.50 71.33 3d3s s THR 109 CO 0.05 0.40 -0.10 0.68 -0.54 0.00 0.00 174.62 175.10 3d3s s VAL 110 N -0.97 2.32 0.01 2.29 -7.23 -1.26 -4.93 120.40 110.63 3d3s s VAL 110 Ca 0.16 -1.46 0.00 0.00 -1.81 0.00 0.00 61.98 58.88 3d3s s VAL 110 Cb -0.11 -2.29 -0.00 0.00 0.56 0.00 0.00 36.38 34.54 3d3s s VAL 110 CO 0.07 0.06 0.01 0.61 -0.31 0.00 0.00 175.10 175.54 3d3s n GLY 111 N 4.50 3.99 0.27 2.32 0.00 -1.26 -4.40 105.19 110.61 3d3s n GLY 111 Ca -0.15 -1.67 0.03 0.00 0.00 0.00 0.00 46.02 44.23 3d3s n GLY 111 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3d3s h PRO 112 N 0.00 0.07 0.00 1.61 0.13 -1.99 -1.58 132.00 130.23 3d3s h PRO 112 Ca -0.01 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.12 3d3s h PRO 112 Cb 0.05 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.16 3d3s h PRO 112 CO 0.01 0.04 0.00 0.38 -0.23 0.00 0.00 178.00 178.21 3d3s h ASP 113 N 0.07 0.00 -1.38 1.44 2.03 -1.98 -3.27 116.42 113.33 3d3s h ASP 113 Ca 0.38 0.00 -0.44 0.00 -0.73 0.00 0.00 57.03 56.24 3d3s h ASP 113 Cb 0.64 0.00 -0.32 0.00 -0.83 0.00 0.00 39.33 38.83 3d3s h ASP 113 CO -0.67 0.00 -0.93 -3.20 -1.03 0.00 0.00 179.24 173.40 3d3s n ASN 114 N -2.73 -0.57 0.16 4.15 5.15 -0.61 -2.99 115.26 117.81 3d3s n ASN 114 Ca 0.01 -3.00 0.03 0.00 -0.60 0.00 0.00 54.58 51.02 3d3s n ASN 114 Cb 0.24 0.14 0.18 0.00 -0.53 0.00 0.00 39.78 39.81 3d3s n ASN 114 CO 0.00 0.00 0.00 -0.61 1.40 0.00 0.00 177.26 178.05 3d3s h GLN 115 N 3.66 0.00 0.00 1.20 5.75 -1.57 -2.14 115.11 122.01 3d3s h GLN 115 Ca 0.01 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.51 3d3s h GLN 115 Cb 0.96 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.51 3d3s h GLN 115 CO 0.41 0.48 0.00 0.00 -2.65 0.00 0.00 178.83 177.07 3d3s h ALA 116 N 1.52 1.00 -0.16 3.38 0.00 -1.90 -2.66 119.26 120.43 3d3s h ALA 116 Ca -0.00 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 3d3s h ALA 116 Cb 1.16 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 3d3s h ALA 116 CO 0.06 0.00 -0.24 0.77 0.00 0.00 0.00 179.25 179.84 3d3s h SER 117 N 0.00 0.28 -0.55 0.00 0.02 -1.78 -3.16 113.55 108.36 3d3s h SER 117 Ca 0.00 -0.08 0.11 0.00 -0.84 0.00 0.00 61.79 60.97 3d3s h SER 117 Cb 0.11 -0.08 -0.11 0.00 0.14 0.00 0.00 62.40 62.46 3d3s h SER 117 CO 0.00 0.53 -0.23 -0.09 -1.14 0.00 0.00 176.83 175.91 3d3s h ARG 118 N 0.26 -0.09 -0.33 3.45 2.43 -1.62 -1.14 114.38 117.33 3d3s h ARG 118 Ca 0.04 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.22 3d3s h ARG 118 Cb 0.57 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.13 3d3s h ARG 118 CO 0.04 -0.06 0.22 0.00 -1.51 0.00 0.00 179.97 178.66 3d3s h ARG 119 N -0.10 0.44 -0.31 0.20 3.08 -1.76 0.26 114.38 116.20 3d3s h ARG 119 Ca 0.25 -0.03 0.06 0.00 0.07 0.00 0.00 59.98 60.33 3d3s h ARG 119 Cb 0.49 -0.10 -0.08 0.00 0.08 0.00 0.00 29.97 30.36 3d3s h ARG 119 CO -0.61 0.29 -0.41 1.15 -1.07 0.00 0.00 179.97 179.32 3d3s h THR 120 N 0.45 0.14 -0.16 2.04 2.02 -1.48 -0.50 112.91 115.43 3d3s h THR 120 Ca 0.12 0.00 -0.22 0.00 0.77 0.00 0.00 66.41 67.08 3d3s h THR 120 Cb -0.05 0.14 0.01 0.00 -1.74 0.00 0.00 68.15 66.51 3d3s h THR 120 CO -0.03 0.00 -0.76 -0.26 0.37 0.00 0.00 175.52 174.84 3d3s h PHE 121 N -0.37 1.07 -0.52 3.16 0.04 -0.86 -0.88 116.94 118.59 3d3s h PHE 121 Ca 0.12 -0.47 -0.10 0.00 2.80 0.00 0.00 57.97 60.32 3d3s h PHE 121 Cb 0.59 -0.17 -0.02 0.00 2.20 0.00 0.00 35.95 38.55 3d3s h PHE 121 CO -0.56 1.30 -0.08 0.00 -0.60 0.00 0.00 178.31 178.37 3d3s h ALA 122 N 0.57 0.87 0.06 2.45 0.00 -0.49 0.12 119.26 122.84 3d3s h ALA 122 Ca -0.05 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.53 3d3s h ALA 122 Cb 1.39 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.99 3d3s h ALA 122 CO 0.16 0.65 -0.03 0.78 0.00 0.00 0.00 179.25 180.80 3d3s h GLY 123 N 0.97 -0.09 0.32 0.00 0.00 -1.07 0.42 103.07 103.62 3d3s h GLY 123 Ca 0.14 0.03 0.09 0.00 0.00 0.00 0.00 47.33 47.59 3d3s h GLY 123 CO 0.04 -0.03 0.09 -2.00 0.00 0.00 0.00 176.54 174.64 3d3s h LEU 124 N -0.17 -0.03 -0.37 3.11 5.85 -0.92 0.31 115.31 123.09 3d3s h LEU 124 Ca -0.01 0.09 0.05 0.00 0.84 0.00 0.00 57.88 58.85 3d3s h LEU 124 Cb 0.15 0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.27 3d3s h LEU 124 CO 0.01 0.01 0.12 0.00 -0.34 0.00 0.00 178.44 178.25 3d3s h ALA 125 N 1.40 0.43 -0.43 1.25 0.00 -0.69 -1.78 119.26 119.45 3d3s h ALA 125 Ca 0.25 0.05 0.04 0.00 0.00 0.00 0.00 54.91 55.25 3d3s h ALA 125 Cb 0.35 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 3d3s h ALA 125 CO -0.34 -0.27 0.18 0.78 0.00 0.00 0.00 179.25 179.60 3d3s h GLY 126 N 0.27 0.57 2.00 0.00 0.00 0.23 0.14 103.07 106.29 3d3s h GLY 126 Ca 0.17 -0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.38 3d3s h GLY 126 CO -0.18 0.07 0.00 0.83 0.00 0.00 0.00 176.54 177.25 3d3s h GLU 127 N 0.38 0.00 -0.34 4.80 4.39 -0.23 -2.77 114.58 120.80 3d3s h GLU 127 Ca 0.19 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.89 3d3s h GLU 127 Cb 0.14 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.79 3d3s h GLU 127 CO -0.16 0.00 0.00 0.54 -1.16 0.00 0.00 179.01 178.23 3d3s n ARG 128 N -2.98 2.33 -3.93 2.33 1.74 -0.69 -4.97 116.66 110.50 3d3s n ARG 128 Ca 0.01 -2.14 -0.29 0.00 -0.77 0.00 0.00 57.85 54.66 3d3s n ARG 128 Cb 0.29 -1.45 0.01 0.00 -1.02 0.00 0.00 32.46 30.30 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 -0.40 3.59 -0.13 0.00 -0.87 -5.00 105.19 103.65 3d3s n GLY 129 Ca 0.17 0.16 -0.24 0.00 0.00 0.00 0.00 46.02 46.11 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 -3.47 3.02 0.54 4.61 0.00 -0.02 -5.03 121.76 121.41 3d3s s ALA 130 Ca 0.45 -1.69 -0.17 0.00 0.00 0.00 0.00 51.96 50.55 3d3s s ALA 130 Cb -0.23 -0.63 -0.06 0.00 0.00 0.00 0.00 23.12 22.20 3d3s s ALA 130 CO 0.85 0.30 1.03 -1.01 0.00 0.00 0.00 175.76 176.93 3d3s s HIS 131 N -2.28 3.12 -0.02 0.00 3.76 -1.23 -4.34 115.29 114.30 3d3s s HIS 131 Ca 0.30 1.52 0.04 0.00 -0.15 0.00 0.00 55.06 56.77 3d3s s HIS 131 Cb -0.06 -2.96 -0.01 0.00 1.11 0.00 0.00 32.58 30.66 3d3s s HIS 131 CO 0.18 -0.83 -0.14 0.54 -0.85 0.00 0.00 174.74 173.64 3d3s s VAL 132 N -2.38 1.11 0.07 -0.90 0.11 -1.26 -1.07 120.40 116.09 3d3s s VAL 132 Ca 0.63 -0.58 0.01 0.00 -2.93 0.00 0.00 61.98 59.10 3d3s s VAL 132 Cb -0.14 -0.94 -0.04 0.00 -1.53 0.00 0.00 36.38 33.73 3d3s s VAL 132 CO 0.31 0.32 -0.05 -0.94 -3.33 0.00 0.00 175.10 171.41 3d3s s SER 133 N -0.19 0.86 0.05 3.54 1.04 -0.73 -4.99 113.70 113.28 3d3s s SER 133 Ca 0.03 -0.96 0.09 0.00 0.48 0.00 0.00 55.95 55.58 3d3s s SER 133 Cb -0.07 0.13 -0.03 0.00 0.10 0.00 0.00 66.02 66.15 3d3s s SER 133 CO 0.00 -0.49 -0.25 -1.61 0.98 0.00 0.00 173.24 171.87 3d3s s GLU 134 N -3.66 1.67 0.04 4.02 2.02 -1.26 -0.88 118.70 120.66 3d3s s GLU 134 Ca 0.08 -1.08 -0.05 0.00 0.02 0.00 0.00 54.97 53.94 3d3s s GLU 134 Cb 0.05 -1.85 -0.02 0.00 0.10 0.00 0.00 34.13 32.41 3d3s s GLU 134 CO -0.06 0.47 0.07 1.14 0.02 0.00 0.00 175.26 176.90 3d3s s GLN 135 N -1.27 0.60 0.27 1.61 -2.07 -0.64 -4.96 119.66 113.20 3d3s s GLN 135 Ca 0.11 -0.85 -0.31 0.00 -1.82 0.00 0.00 55.36 52.49 3d3s s GLN 135 Cb -0.10 0.23 -0.12 0.00 -1.09 0.00 0.00 33.01 31.93 3d3s s GLN 135 CO 0.02 -0.14 1.58 -2.30 -1.32 0.00 0.00 175.29 173.13 3d3s n PRO 136 N 0.62 2.58 -0.20 9.60 -0.02 -1.26 0.73 135.00 147.05 3d3s n PRO 136 Ca -0.18 0.92 -0.07 0.00 -2.02 0.00 0.00 63.50 62.15 3d3s n PRO 136 Cb 0.59 -2.69 0.02 0.00 -0.02 0.00 0.00 33.50 31.41 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 5.01 0.81 0.00 6.00 3.57 -1.57 -3.41 116.94 127.35 3d3s h PHE 137 Ca -0.46 -0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.00 3d3s h PHE 137 Cb 1.23 -0.25 0.00 0.00 2.79 0.00 0.00 35.95 39.72 3d3s h PHE 137 CO 0.59 0.62 -0.06 1.97 -2.23 0.00 0.00 178.31 179.20 3d3s n PHE 138 N -4.56 0.00 0.00 0.41 -0.00 -1.26 -4.94 117.46 107.11 3d3s n PHE 138 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.48 3d3s n PHE 138 Cb 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 39.60 3d3s n PHE 138 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.76 176.51 3d3s n ASP 150 N -1.45 0.00 -4.73 5.98 10.43 -1.26 -5.16 116.55 120.36 3d3s n ASP 150 Ca 0.00 0.00 -0.29 0.00 2.57 0.00 0.00 54.79 57.07 3d3s n ASP 150 Cb 0.03 0.00 0.15 0.00 1.84 0.00 0.00 41.12 43.14 3d3s n ASP 150 CO 0.00 0.00 0.00 -0.70 -1.07 0.00 0.00 177.20 175.43 3d3s s GLU 151 N -3.33 0.97 -0.09 -1.24 2.56 -1.26 -4.65 118.70 111.66 3d3s s GLU 151 Ca 0.00 0.51 -0.01 0.00 0.00 0.00 0.00 54.97 55.47 3d3s s GLU 151 Cb 0.00 -1.80 0.03 0.00 2.00 0.00 0.00 34.13 34.36 3d3s s GLU 151 CO 0.00 -2.36 -0.01 -1.17 -0.56 0.00 0.00 175.26 171.15 3d3s s LEU 153 N -6.21 0.75 -0.15 2.70 2.96 0.22 -1.38 118.68 117.57 3d3s s LEU 153 Ca 0.64 -0.17 -0.11 0.00 -0.22 0.00 0.00 54.13 54.28 3d3s s LEU 153 Cb -0.17 -0.54 -0.05 0.00 0.50 0.00 0.00 46.19 45.93 3d3s s LEU 153 CO 0.56 -0.18 0.21 -0.22 -1.32 0.00 0.00 176.35 175.39 3d3s s LEU 154 N 1.91 4.30 -0.16 -0.68 0.20 0.37 -1.62 118.68 123.00 3d3s s LEU 154 Ca 0.05 0.45 0.00 0.00 0.69 0.00 0.00 54.13 55.32 3d3s s LEU 154 Cb -0.13 -2.21 0.03 0.00 -0.43 0.00 0.00 46.19 43.45 3d3s s LEU 154 CO -0.06 0.24 -0.12 -0.60 -0.29 0.00 0.00 176.35 175.52 3d3s s ARG 155 N -0.16 2.08 -0.18 1.98 3.52 -0.06 -2.07 118.95 124.06 3d3s s ARG 155 Ca 0.14 -0.60 -0.07 0.00 -0.13 0.00 0.00 55.73 55.07 3d3s s ARG 155 Cb -0.12 -2.13 -0.04 0.00 -1.56 0.00 0.00 34.95 31.10 3d3s s ARG 155 CO 0.03 -0.31 0.06 0.42 -0.81 0.00 0.00 175.30 174.69 3d3s s ILE 156 N 1.50 4.77 -5.00 4.11 1.01 0.06 -1.76 121.20 125.88 3d3s s ILE 156 Ca 0.03 -0.04 0.00 0.00 0.00 0.00 0.00 60.65 60.64 3d3s s ILE 156 Cb -0.14 -3.15 0.00 0.00 0.01 0.00 0.00 42.46 39.18 3d3s s ILE 156 CO -0.10 0.46 0.00 0.61 0.00 0.00 0.00 174.94 175.92 3d3s n GLY 157 N 3.52 0.57 3.78 6.18 0.00 -0.23 -0.86 105.19 118.16 3d3s n GLY 157 Ca -0.17 -1.78 -0.34 0.00 0.00 0.00 0.00 46.02 43.74 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 3.38 0.00 1.61 0.04 -1.26 -3.50 135.00 133.27 3d3s s PRO 158 Ca 0.00 1.43 0.29 0.00 0.04 0.00 0.00 61.00 62.77 3d3s s PRO 158 Cb 0.00 -2.03 1.36 0.00 0.04 0.00 0.00 34.50 33.88 3d3s s PRO 158 CO 0.00 -0.80 1.92 1.19 0.04 0.00 0.00 177.00 179.36