#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h0r n ASP 3 N 0.00 -1.82 0.05 6.55 9.92 -1.26 -4.88 116.55 125.10 3h0r n ASP 3 Ca 0.00 0.25 -0.12 0.00 -0.53 0.00 0.00 54.79 54.39 3h0r n ASP 3 Cb 0.00 -1.20 -0.07 0.00 -0.64 0.00 0.00 41.12 39.21 3h0r n ASP 3 CO 0.00 0.00 0.00 -0.09 0.13 0.00 0.00 177.20 177.24 3h0r h ARG 4 N -1.74 -0.04 -0.78 -1.24 2.43 -2.00 -3.04 114.38 107.97 3h0r h ARG 4 Ca -0.46 0.00 0.18 0.00 -0.81 0.00 0.00 59.98 58.89 3h0r h ARG 4 Cb 1.30 0.01 -0.14 0.00 -0.42 0.00 0.00 29.97 30.71 3h0r h ARG 4 CO 0.36 -0.02 -0.05 1.49 -1.51 0.00 0.00 179.97 180.24 3h0r h GLU 5 N -0.04 0.06 0.02 0.20 4.81 -2.00 -1.50 114.58 116.14 3h0r h GLU 5 Ca 0.01 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3h0r h GLU 5 Cb 0.04 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.41 3h0r h GLU 5 CO -0.01 0.04 -0.02 2.35 -0.73 0.00 0.00 179.01 180.64 3h0r h TRP 6 N 0.07 -0.04 -0.60 0.92 7.01 -1.89 -0.81 115.95 120.61 3h0r h TRP 6 Ca 0.42 -0.00 0.04 0.00 2.11 0.00 0.00 58.89 61.46 3h0r h TRP 6 Cb 0.73 0.02 -0.05 0.00 -2.10 0.00 0.00 29.16 27.76 3h0r h TRP 6 CO -0.48 -0.03 0.34 0.28 -2.79 0.00 0.00 178.44 175.76 3h0r h VAL 7 N -0.04 1.00 -0.75 2.65 2.07 -1.24 0.89 116.25 120.84 3h0r h VAL 7 Ca -0.00 -0.22 0.02 0.00 0.82 0.00 0.00 66.70 67.32 3h0r h VAL 7 Cb 0.04 0.30 -0.04 0.00 -1.52 0.00 0.00 31.29 30.07 3h0r h VAL 7 CO -0.00 0.12 0.48 -0.07 0.02 0.00 0.00 177.57 178.12 3h0r h LEU 8 N 0.65 0.81 -0.35 2.57 3.38 -0.86 -1.52 115.31 119.98 3h0r h LEU 8 Ca 0.26 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 58.16 3h0r h LEU 8 Cb 0.11 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 3h0r h LEU 8 CO -0.14 0.57 -0.01 0.50 0.09 0.00 0.00 178.44 179.44 3h0r h LYS 9 N 0.95 0.62 -0.13 1.13 3.64 -0.11 -0.24 116.57 122.43 3h0r h LYS 9 Ca 0.29 -0.20 -0.17 0.00 -1.27 0.00 0.00 60.65 59.30 3h0r h LYS 9 Cb -0.03 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.73 3h0r h LYS 9 CO -0.09 0.75 -0.61 0.82 -2.27 0.00 0.00 179.45 178.04 3h0r h ILE 10 N 0.43 1.35 -0.38 2.00 1.08 -0.79 -2.63 117.51 118.57 3h0r h ILE 10 Ca 0.10 -1.93 -0.10 0.00 -0.39 0.00 0.00 64.86 62.55 3h0r h ILE 10 Cb 0.47 1.91 -0.02 0.00 -3.07 0.00 0.00 36.82 36.12 3h0r h ILE 10 CO 0.02 0.59 -0.16 0.00 -0.69 0.00 0.00 178.15 177.91 3h0r h ALA 11 N 0.99 1.01 -0.82 1.87 0.00 -1.18 -2.86 119.26 118.27 3h0r h ALA 11 Ca -0.01 -0.33 -0.03 0.00 0.00 0.00 0.00 54.91 54.54 3h0r h ALA 11 Cb 1.16 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.76 3h0r h ALA 11 CO 0.11 0.59 0.38 -0.22 0.00 0.00 0.00 179.25 180.11 3h0r h LYS 12 N 0.62 1.19 0.00 0.00 3.64 -0.78 0.61 116.57 121.85 3h0r h LYS 12 Ca 0.10 -0.18 -0.08 0.00 -1.27 0.00 0.00 60.65 59.22 3h0r h LYS 12 Cb 0.63 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 32.23 3h0r h LYS 12 CO 0.04 0.92 -0.38 -0.07 -2.27 0.00 0.00 179.45 177.70 3h0r h LEU 13 N 1.17 0.00 -0.35 5.20 3.38 -1.25 -3.08 115.31 120.38 3h0r h LEU 13 Ca 0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.25 3h0r h LEU 13 Cb 0.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.89 3h0r h LEU 13 CO -0.03 0.38 -0.70 0.00 0.09 0.00 0.00 178.44 178.17 3h0r n ALA 14 N -2.45 4.04 -2.75 1.53 0.00 -1.07 -5.00 120.51 114.80 3h0r n ALA 14 Ca -0.02 -0.55 -0.10 0.00 0.00 0.00 0.00 53.44 52.77 3h0r n ALA 14 Cb 0.42 -0.68 0.05 0.00 0.00 0.00 0.00 19.45 19.24 3h0r n ALA 14 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3h0r n ARG 15 N -0.93 -2.55 -3.99 0.00 5.12 0.05 -5.04 116.66 109.31 3h0r n ARG 15 Ca 0.05 0.56 -0.34 0.00 -1.93 0.00 0.00 57.85 56.19 3h0r n ARG 15 Cb 0.33 -4.47 -0.15 0.00 -1.16 0.00 0.00 32.46 27.02 3h0r n ARG 15 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 3h0r s LEU 16 N -4.66 2.70 -0.90 0.55 1.43 -0.31 -5.04 118.68 112.44 3h0r s LEU 16 Ca 0.19 -0.57 -0.20 0.00 -1.03 0.00 0.00 54.13 52.51 3h0r s LEU 16 Cb -0.02 -1.64 0.11 0.00 0.03 0.00 0.00 46.19 44.67 3h0r s LEU 16 CO 0.48 -0.03 1.15 -0.70 0.23 0.00 0.00 176.35 177.48 3h0r s GLU 17 N 1.39 3.52 0.08 1.70 2.12 -1.26 -4.44 118.70 121.80 3h0r s GLU 17 Ca 0.04 -1.52 -0.31 0.00 0.36 0.00 0.00 54.97 53.55 3h0r s GLU 17 Cb -0.14 -4.88 -0.07 0.00 0.26 0.00 0.00 34.13 29.29 3h0r s GLU 17 CO -0.07 -1.85 1.45 -0.51 -0.54 0.00 0.00 175.26 173.75 3h0r s LEU 18 N 3.26 4.35 0.58 2.70 1.43 -1.26 -5.00 118.68 124.75 3h0r s LEU 18 Ca 0.33 2.31 -0.20 0.00 -1.03 0.00 0.00 54.13 55.55 3h0r s LEU 18 Cb -0.06 -3.58 -0.03 0.00 0.03 0.00 0.00 46.19 42.55 3h0r s LEU 18 CO -0.07 -0.73 1.28 -0.54 0.23 0.00 0.00 176.35 176.53 3h0r s LYS 19 N 1.75 2.95 0.58 1.70 1.02 -1.26 -4.88 119.74 121.59 3h0r s LYS 19 Ca 0.66 2.04 0.27 0.00 0.02 0.00 0.00 55.97 58.96 3h0r s LYS 19 Cb -0.36 -2.05 1.59 0.00 -0.52 0.00 0.00 37.83 36.49 3h0r s LYS 19 CO 0.30 -1.28 2.08 1.49 -0.92 0.00 0.00 175.35 177.02 3h0r h GLU 20 N 1.06 0.00 -0.17 1.68 4.57 -2.02 -0.96 114.58 118.74 3h0r h GLU 20 Ca -0.51 0.00 -0.10 0.00 -1.18 0.00 0.00 59.36 57.57 3h0r h GLU 20 Cb 1.31 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.90 3h0r h GLU 20 CO 0.56 0.00 -0.29 0.93 -1.18 0.00 0.00 179.01 179.03 3h0r h GLU 21 N 0.00 0.50 -0.77 1.92 3.07 -2.02 -3.31 114.58 113.97 3h0r h GLU 21 Ca 0.11 -0.31 0.01 0.00 -0.50 0.00 0.00 59.36 58.67 3h0r h GLU 21 Cb 0.55 0.03 -0.04 0.00 -0.84 0.00 0.00 28.75 28.45 3h0r h GLU 21 CO -0.00 0.91 0.51 0.93 -1.40 0.00 0.00 179.01 179.96 3h0r h GLU 22 N 0.14 1.01 -0.34 2.33 5.08 -1.54 -2.95 114.58 118.32 3h0r h GLU 22 Ca 0.01 -0.06 0.02 0.00 -1.00 0.00 0.00 59.36 58.34 3h0r h GLU 22 Cb 0.87 -0.23 -0.03 0.00 0.50 0.00 0.00 28.75 29.87 3h0r h GLU 22 CO 0.07 0.67 0.17 0.82 -1.00 0.00 0.00 179.01 179.74 3h0r h ILE 23 N 1.04 0.98 -0.28 3.13 2.04 -1.62 0.58 117.51 123.38 3h0r h ILE 23 Ca 0.28 -0.12 -0.03 0.00 1.00 0.00 0.00 64.86 65.99 3h0r h ILE 23 Cb -0.12 0.60 -0.01 0.00 -0.74 0.00 0.00 36.82 36.55 3h0r h ILE 23 CO -0.06 0.06 0.05 -0.33 0.00 0.00 0.00 178.15 177.87 3h0r h GLU 24 N 0.35 0.47 -0.22 2.37 5.08 -1.64 -2.28 114.58 118.71 3h0r h GLU 24 Ca 0.14 -0.12 -0.16 0.00 -1.00 0.00 0.00 59.36 58.22 3h0r h GLU 24 Cb 0.06 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 3h0r h GLU 24 CO -0.10 0.57 -0.52 0.28 -1.00 0.00 0.00 179.01 178.24 3h0r h VAL 25 N 0.28 1.31 0.00 3.13 2.07 -1.33 -2.79 116.25 118.92 3h0r h VAL 25 Ca 0.09 -1.74 0.00 0.00 0.82 0.00 0.00 66.70 65.86 3h0r h VAL 25 Cb 0.33 1.69 0.00 0.00 -1.52 0.00 0.00 31.29 31.80 3h0r h VAL 25 CO 0.01 0.55 0.00 0.49 0.02 0.00 0.00 177.57 178.63 3h0r n PHE 26 N -3.98 0.75 -0.03 1.57 3.72 0.20 -1.17 117.46 118.52 3h0r n PHE 26 Ca -0.03 0.27 -0.13 0.00 -0.05 0.00 0.00 57.45 57.51 3h0r n PHE 26 Cb 0.59 -0.94 -0.10 0.00 -0.94 0.00 0.00 39.48 38.09 3h0r n PHE 26 CO 0.00 0.00 0.00 1.96 -0.05 0.00 0.00 176.76 178.67 3h0r h GLN 27 N 0.00 0.02 -0.10 -1.08 4.20 -1.13 -2.84 115.11 114.18 3h0r h GLN 27 Ca 0.00 -0.01 -0.04 0.00 0.06 0.00 0.00 58.65 58.66 3h0r h GLN 27 Cb 0.45 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.23 3h0r h GLN 27 CO 0.00 0.61 -0.09 -0.22 -0.67 0.00 0.00 178.83 178.46 3h0r h LYS 28 N -0.57 0.24 0.03 1.46 3.64 -1.49 -2.18 116.57 117.71 3h0r h LYS 28 Ca -0.00 -0.13 -0.00 0.00 -1.27 0.00 0.00 60.65 59.25 3h0r h LYS 28 Cb 0.61 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.43 3h0r h LYS 28 CO 0.00 0.65 -0.02 1.96 -2.27 0.00 0.00 179.45 179.78 3h0r h GLN 29 N -0.16 -0.04 -0.49 1.90 4.20 -1.28 -1.27 115.11 117.96 3h0r h GLN 29 Ca 0.02 0.00 -0.08 0.00 0.06 0.00 0.00 58.65 58.65 3h0r h GLN 29 Cb 0.60 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.37 3h0r h GLN 29 CO 0.02 0.04 -0.02 -0.07 -0.67 0.00 0.00 178.83 178.14 3h0r h LEU 30 N -0.12 0.80 0.09 1.46 3.38 -1.61 0.64 115.31 119.96 3h0r h LEU 30 Ca -0.00 -0.21 0.01 0.00 0.09 0.00 0.00 57.88 57.77 3h0r h LEU 30 Cb 0.11 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 3h0r h LEU 30 CO 0.01 0.88 -0.14 0.28 0.09 0.00 0.00 178.44 179.55 3h0r h SER 31 N 0.77 -0.38 -0.27 -0.43 0.02 -1.25 0.18 113.55 112.19 3h0r h SER 31 Ca 0.14 0.04 0.06 0.00 -0.84 0.00 0.00 61.79 61.20 3h0r h SER 31 Cb 0.49 0.14 -0.06 0.00 0.14 0.00 0.00 62.40 63.12 3h0r h SER 31 CO 0.02 -0.21 -0.09 0.44 -1.14 0.00 0.00 176.83 175.85 3h0r h ASP 32 N -0.28 -0.33 -0.75 3.07 3.32 -0.99 -1.19 116.42 119.27 3h0r h ASP 32 Ca 0.02 0.09 -0.06 0.00 0.02 0.00 0.00 57.03 57.10 3h0r h ASP 32 Cb 0.29 0.20 -0.03 0.00 0.22 0.00 0.00 39.33 40.01 3h0r h ASP 32 CO -0.07 -0.12 0.24 0.40 -1.72 0.00 0.00 179.24 177.97 3h0r h ILE 33 N -0.04 1.26 -0.66 0.35 2.04 -0.73 0.81 117.51 120.54 3h0r h ILE 33 Ca 0.14 -0.90 -0.02 0.00 1.00 0.00 0.00 64.86 65.08 3h0r h ILE 33 Cb 0.25 0.42 -0.03 0.00 -0.74 0.00 0.00 36.82 36.72 3h0r h ILE 33 CO -0.30 0.36 0.35 -0.07 0.00 0.00 0.00 178.15 178.48 3h0r h LEU 34 N 1.12 0.81 -0.55 1.44 4.07 -0.08 -0.82 115.31 121.30 3h0r h LEU 34 Ca 0.24 -0.07 -0.14 0.00 0.08 0.00 0.00 57.88 58.00 3h0r h LEU 34 Cb 0.30 -0.21 -0.01 0.00 1.08 0.00 0.00 40.66 41.82 3h0r h LEU 34 CO -0.01 0.67 -0.35 0.44 -1.08 0.00 0.00 178.44 178.11 3h0r h ASP 35 N 0.92 0.82 -0.52 -0.43 3.32 -0.86 -3.24 116.42 116.43 3h0r h ASP 35 Ca 0.23 -0.35 -0.05 0.00 0.02 0.00 0.00 57.03 56.88 3h0r h ASP 35 Cb 0.04 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.34 3h0r h ASP 35 CO -0.04 1.09 0.17 0.15 -1.72 0.00 0.00 179.24 178.89 3h0r h PHE 36 N 0.65 0.87 -0.57 4.55 3.57 0.48 -2.79 116.94 123.71 3h0r h PHE 36 Ca 0.06 -0.07 0.00 0.00 3.53 0.00 0.00 57.97 61.49 3h0r h PHE 36 Cb 0.90 -0.26 0.00 0.00 2.79 0.00 0.00 35.95 39.38 3h0r h PHE 36 CO 0.05 0.71 0.00 0.44 -2.23 0.00 0.00 178.31 177.28 3h0r n ILE 37 N -4.29 1.58 -0.97 1.41 -5.35 -0.49 -4.60 119.36 106.65 3h0r n ILE 37 Ca 0.04 -1.02 -0.16 0.00 -0.27 0.00 0.00 62.75 61.34 3h0r n ILE 37 Cb 0.21 0.07 0.00 0.00 -1.74 0.00 0.00 39.64 38.18 3h0r n ILE 37 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 3h0r n ASP 38 N 0.96 6.28 -0.83 7.28 9.92 -1.06 -4.39 116.55 134.72 3h0r n ASP 38 Ca 0.22 -2.99 0.12 0.00 -0.53 0.00 0.00 54.79 51.62 3h0r n ASP 38 Cb 0.79 -1.12 0.11 0.00 -0.64 0.00 0.00 41.12 40.26 3h0r n ASP 38 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3h0r n GLN 39 N 0.70 2.04 0.03 -1.24 1.13 -1.26 -4.65 117.38 114.13 3h0r n GLN 39 Ca 0.31 -1.66 0.11 0.00 -1.94 0.00 0.00 57.00 53.82 3h0r n GLN 39 Cb 0.58 -1.47 0.01 0.00 0.11 0.00 0.00 30.24 29.47 3h0r n GLN 39 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 3h0r n LEU 40 N 0.97 0.60 -0.22 1.08 4.77 -1.26 -3.88 117.00 119.05 3h0r n LEU 40 Ca 0.13 0.03 -0.02 0.00 -0.03 0.00 0.00 56.01 56.13 3h0r n LEU 40 Cb 0.56 -0.09 0.09 0.00 -2.33 0.00 0.00 43.42 41.65 3h0r n LEU 40 CO 0.18 0.01 1.07 0.11 -1.33 0.00 0.00 177.39 177.43 3h0r h LYS 41 N 0.00 0.61 -1.73 3.23 1.57 -1.95 -2.08 116.57 116.22 3h0r h LYS 41 Ca 0.00 -0.04 0.53 0.00 -1.87 0.00 0.00 60.65 59.27 3h0r h LYS 41 Cb 0.79 -0.14 -0.10 0.00 0.08 0.00 0.00 32.23 32.86 3h0r h LYS 41 CO 0.00 0.41 1.21 0.39 -0.57 0.00 0.00 179.45 180.89 3h0r n GLU 42 N -4.82 -0.01 -3.68 3.15 1.02 -1.25 -4.54 120.64 110.50 3h0r n GLU 42 Ca 0.08 1.12 -0.37 0.00 -0.02 0.00 0.00 57.16 57.97 3h0r n GLU 42 Cb 0.18 -2.45 -0.06 0.00 -0.02 0.00 0.00 31.44 29.09 3h0r n GLU 42 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3h0r s LEU 43 N -8.35 4.43 -0.36 -4.62 1.43 -0.78 -5.06 118.68 105.37 3h0r s LEU 43 Ca -0.06 0.73 -0.23 0.00 -1.03 0.00 0.00 54.13 53.54 3h0r s LEU 43 Cb 0.28 -2.36 0.01 0.00 0.03 0.00 0.00 46.19 44.15 3h0r s LEU 43 CO 0.85 0.36 0.79 -0.62 0.23 0.00 0.00 176.35 177.96 3h0r s ASP 44 N -1.08 6.56 -0.05 2.29 2.15 -1.26 -4.88 116.67 120.40 3h0r s ASP 44 Ca 0.20 0.37 0.07 0.00 0.43 0.00 0.00 52.55 53.63 3h0r s ASP 44 Cb -0.14 -2.40 0.11 0.00 -0.30 0.00 0.00 42.92 40.19 3h0r s ASP 44 CO 0.09 -0.74 0.99 0.35 -0.17 0.00 0.00 175.17 175.69 3h0r n THR 45 N 5.80 1.04 -1.68 1.71 -2.24 -1.26 -4.88 114.28 112.77 3h0r n THR 45 Ca 0.03 -1.19 -0.49 0.00 -2.27 0.00 0.00 64.05 60.14 3h0r n THR 45 Cb 0.48 0.28 -0.05 0.00 -2.10 0.00 0.00 70.33 68.94 3h0r n THR 45 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3h0r n GLU 46 N -0.71 2.16 -1.25 -0.78 1.02 -1.26 -3.23 120.64 116.58 3h0r n GLU 46 Ca 0.06 0.79 0.00 0.00 -0.02 0.00 0.00 57.16 57.99 3h0r n GLU 46 Cb 0.51 -2.63 0.00 0.00 -0.02 0.00 0.00 31.44 29.30 3h0r n GLU 46 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3h0r n ASN 47 N 6.61 -1.89 -4.16 1.62 3.02 -1.26 -5.05 115.26 114.14 3h0r n ASN 47 Ca 0.23 0.00 -0.33 0.00 -0.03 0.00 0.00 54.58 54.45 3h0r n ASN 47 Cb 0.29 -0.44 -0.16 0.00 -0.61 0.00 0.00 39.78 38.86 3h0r n ASN 47 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3h0r s VAL 48 N -2.00 2.20 0.28 2.41 1.01 -1.20 -5.11 120.40 117.98 3h0r s VAL 48 Ca 0.00 -0.91 -0.29 0.00 0.00 0.00 0.00 61.98 60.77 3h0r s VAL 48 Cb 0.00 -1.91 -0.10 0.00 0.00 0.00 0.00 36.38 34.37 3h0r s VAL 48 CO 0.00 0.53 1.22 -1.61 0.00 0.00 0.00 175.10 175.24 3h0r s GLU 49 N 1.08 4.48 0.72 2.72 0.41 -1.26 -5.01 118.70 121.85 3h0r s GLU 49 Ca -0.00 2.00 -0.16 0.00 -0.41 0.00 0.00 54.97 56.40 3h0r s GLU 49 Cb -0.14 -3.15 -0.01 0.00 -1.78 0.00 0.00 34.13 29.05 3h0r s GLU 49 CO -0.07 -0.04 0.79 -0.35 -0.49 0.00 0.00 175.26 175.11 3h0r n PRO 50 N 1.40 0.40 -2.26 0.39 -0.04 -1.26 -4.95 135.00 128.69 3h0r n PRO 50 Ca 0.01 0.19 -0.42 0.00 -0.04 0.00 0.00 63.50 63.24 3h0r n PRO 50 Cb 0.43 -2.06 -0.03 0.00 -0.04 0.00 0.00 33.50 31.80 3h0r n PRO 50 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 3h0r s TYR 51 N -1.87 3.20 0.10 0.54 5.04 -1.26 -5.05 117.35 118.05 3h0r s TYR 51 Ca 0.70 1.02 0.03 0.00 -2.44 0.00 0.00 57.07 56.39 3h0r s TYR 51 Cb -0.34 -3.60 -0.04 0.00 0.35 0.00 0.00 41.96 38.33 3h0r s TYR 51 CO 0.54 -2.07 -0.09 0.96 -1.34 0.00 0.00 175.55 173.55 3h0r s ILE 52 N 1.42 0.88 0.52 3.14 -4.36 -1.26 -5.14 121.20 116.41 3h0r s ILE 52 Ca 0.63 -1.70 -0.20 0.00 -0.26 0.00 0.00 60.65 59.12 3h0r s ILE 52 Cb -0.33 -1.41 -0.07 0.00 1.25 0.00 0.00 42.46 41.90 3h0r s ILE 52 CO 0.29 -0.63 1.09 0.00 0.24 0.00 0.00 174.94 175.94 3h0r s GLN 53 N -3.00 3.52 0.41 0.37 -2.07 -1.26 -5.01 119.66 112.62 3h0r s GLN 53 Ca 0.07 1.51 -0.22 0.00 -1.82 0.00 0.00 55.36 54.90 3h0r s GLN 53 Cb -0.01 -2.04 -0.11 0.00 -1.09 0.00 0.00 33.01 29.76 3h0r s GLN 53 CO -0.01 -0.69 0.95 -1.21 -1.32 0.00 0.00 175.29 173.01 3h0r s GLU 54 N -3.27 4.29 0.00 9.60 2.02 -1.26 -4.99 118.70 125.09 3h0r s GLU 54 Ca 0.71 1.17 0.00 0.00 0.02 0.00 0.00 54.97 56.86 3h0r s GLU 54 Cb -0.21 -2.30 0.00 0.00 0.10 0.00 0.00 34.13 31.72 3h0r s GLU 54 CO 0.24 0.02 0.00 1.97 0.02 0.00 0.00 175.26 177.51 3h0r n PHE 55 N -0.42 0.00 0.00 1.61 -1.74 -1.26 -5.06 117.46 110.59 3h0r n PHE 55 Ca 0.06 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.95 3h0r n PHE 55 Cb 0.53 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.53 3h0r n PHE 55 CO 0.00 0.00 0.00 -1.91 -0.56 0.00 0.00 176.76 174.29 3h0r n GLU 56 N -1.39 0.00 -3.81 3.97 4.07 -1.26 -4.90 120.64 117.33 3h0r n GLU 56 Ca 0.00 0.00 -0.13 0.00 -0.06 0.00 0.00 57.16 56.97 3h0r n GLU 56 Cb 0.00 0.00 -0.14 0.00 -0.06 0.00 0.00 31.44 31.24 3h0r n GLU 56 CO 0.00 0.00 0.00 -1.21 -0.06 0.00 0.00 177.13 175.86 3h0r s GLU 57 N 0.00 0.06 0.08 5.31 2.02 -1.26 -5.12 118.70 119.79 3h0r s GLU 57 Ca 0.00 0.19 -0.30 0.00 0.02 0.00 0.00 54.97 54.87 3h0r s GLU 57 Cb 0.00 -0.07 -0.10 0.00 0.10 0.00 0.00 34.13 34.06 3h0r s GLU 57 CO 0.00 -0.08 1.89 0.99 0.02 0.00 0.00 175.26 178.08 3h0r s THR 58 N 0.53 2.79 -0.08 3.63 2.01 -1.26 -4.91 115.64 118.33 3h0r s THR 58 Ca -0.04 0.05 -0.29 0.00 0.31 0.00 0.00 61.69 61.71 3h0r s THR 58 Cb -0.06 -3.03 -0.06 0.00 0.01 0.00 0.00 72.50 69.37 3h0r s THR 58 CO -0.02 -0.00 1.76 -2.16 -0.69 0.00 0.00 174.62 173.51 3h0r s PRO 59 N 3.59 4.01 0.38 4.92 0.04 -1.26 -5.00 135.00 141.68 3h0r s PRO 59 Ca 0.84 2.16 0.04 0.00 0.04 0.00 0.00 61.00 64.08 3h0r s PRO 59 Cb -0.44 -4.07 -0.05 0.00 0.04 0.00 0.00 34.50 29.98 3h0r s PRO 59 CO 0.39 -1.07 0.06 -1.64 0.04 0.00 0.00 177.00 174.78 3h0r s MET 60 N 4.45 1.84 -0.02 4.56 -1.94 -1.26 -5.15 119.30 121.78 3h0r s MET 60 Ca 0.78 -2.08 0.01 0.00 -1.71 0.00 0.00 55.69 52.70 3h0r s MET 60 Cb -0.34 -0.99 0.01 0.00 2.01 0.00 0.00 34.83 35.52 3h0r s MET 60 CO 0.32 -0.27 -0.04 0.50 -0.01 0.00 0.00 175.02 175.52 3h0r s ARG 61 N -3.82 0.51 0.63 2.03 3.52 -1.26 -5.13 118.95 115.43 3h0r s ARG 61 Ca 0.29 -0.14 -0.17 0.00 -0.13 0.00 0.00 55.73 55.58 3h0r s ARG 61 Cb 0.06 -0.52 -0.01 0.00 -1.56 0.00 0.00 34.95 32.92 3h0r s ARG 61 CO 0.14 0.04 1.19 -1.21 -0.81 0.00 0.00 175.30 174.65 3h0r s GLU 62 N 0.25 2.77 -1.34 5.12 0.41 -1.26 -4.91 118.70 119.73 3h0r s GLU 62 Ca -0.03 1.74 -0.16 0.00 -0.41 0.00 0.00 54.97 56.11 3h0r s GLU 62 Cb -0.06 -1.91 0.03 0.00 -1.78 0.00 0.00 34.13 30.41 3h0r s GLU 62 CO -0.00 -1.35 2.01 -3.47 -0.49 0.00 0.00 175.26 171.96 3h0r n ASP 63 N -1.96 4.16 -3.89 -0.19 2.03 -1.26 -4.90 116.55 110.54 3h0r n ASP 63 Ca 0.13 -2.85 -0.19 0.00 0.52 0.00 0.00 54.79 52.40 3h0r n ASP 63 Cb 0.50 -1.66 -0.16 0.00 -0.72 0.00 0.00 41.12 39.08 3h0r n ASP 63 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 3h0r s GLU 64 N 3.85 0.64 0.23 -0.67 2.02 -1.26 -5.13 118.70 118.38 3h0r s GLU 64 Ca 0.51 -0.08 -0.31 0.00 0.02 0.00 0.00 54.97 55.11 3h0r s GLU 64 Cb 0.10 -0.68 -0.14 0.00 0.10 0.00 0.00 34.13 33.50 3h0r s GLU 64 CO -0.00 -0.06 1.25 -2.30 0.02 0.00 0.00 175.26 174.17 3h0r n PRO 65 N 3.88 1.62 -5.30 0.39 -0.02 -1.26 -5.04 135.00 129.27 3h0r n PRO 65 Ca -0.24 0.58 -0.31 0.00 -2.02 0.00 0.00 63.50 61.51 3h0r n PRO 65 Cb 0.52 -2.13 -0.16 0.00 -0.02 0.00 0.00 33.50 31.71 3h0r n PRO 65 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 3h0r s HIS 66 N -0.31 2.33 -0.37 6.00 3.76 -1.26 -5.08 115.29 120.36 3h0r s HIS 66 Ca 0.68 -0.46 -0.40 0.00 -0.15 0.00 0.00 55.06 54.73 3h0r s HIS 66 Cb -0.73 -1.50 -0.15 0.00 1.11 0.00 0.00 32.58 31.31 3h0r s HIS 66 CO 0.53 -0.05 1.97 -2.30 -0.85 0.00 0.00 174.74 174.03 3h0r n PRO 67 N 2.47 0.80 -1.22 8.40 -0.02 -1.26 -4.93 135.00 139.25 3h0r n PRO 67 Ca -0.16 0.26 -0.34 0.00 -2.02 0.00 0.00 63.50 61.24 3h0r n PRO 67 Cb 0.51 -2.05 0.12 0.00 -0.02 0.00 0.00 33.50 32.06 3h0r n PRO 67 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 3h0r s SER 68 N 5.29 3.79 0.29 2.55 0.01 -1.26 -4.95 113.70 119.42 3h0r s SER 68 Ca 1.07 2.36 -0.30 0.00 1.31 0.00 0.00 55.95 60.39 3h0r s SER 68 Cb -1.12 -2.59 -0.11 0.00 0.21 0.00 0.00 66.02 62.41 3h0r s SER 68 CO 0.62 -2.54 1.56 -0.22 0.41 0.00 0.00 173.24 173.07 3h0r s LEU 69 N -5.54 4.35 0.19 2.44 2.96 -1.26 -4.92 118.68 116.90 3h0r s LEU 69 Ca 0.73 2.91 -0.33 0.00 -0.22 0.00 0.00 54.13 57.22 3h0r s LEU 69 Cb -0.29 -3.64 -0.14 0.00 0.50 0.00 0.00 46.19 42.63 3h0r s LEU 69 CO 0.49 -0.87 1.54 -0.67 -1.32 0.00 0.00 176.35 175.52 3h0r n ASP 70 N 2.06 3.05 -0.05 3.68 2.03 -1.26 -4.77 116.55 121.29 3h0r n ASP 70 Ca 0.07 1.10 0.18 0.00 0.52 0.00 0.00 54.79 56.66 3h0r n ASP 70 Cb 0.38 -1.44 0.62 0.00 -0.72 0.00 0.00 41.12 39.96 3h0r n ASP 70 CO 0.00 0.00 0.00 -0.09 -1.92 0.00 0.00 177.20 175.19 3h0r h ARG 71 N 5.48 0.15 -0.10 -0.67 2.43 -1.99 -0.05 114.38 119.64 3h0r h ARG 71 Ca -0.45 -0.01 -0.13 0.00 -0.81 0.00 0.00 59.98 58.58 3h0r h ARG 71 Cb 1.26 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.76 3h0r h ARG 71 CO 0.85 0.10 -0.51 1.49 -1.51 0.00 0.00 179.97 180.40 3h0r h GLU 72 N 0.16 0.28 -0.16 0.20 4.81 -1.98 -1.64 114.58 116.25 3h0r h GLU 72 Ca 0.28 -0.16 -0.20 0.00 -0.13 0.00 0.00 59.36 59.15 3h0r h GLU 72 Cb 0.90 0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.30 3h0r h GLU 72 CO -0.04 0.72 -0.71 0.87 -0.73 0.00 0.00 179.01 179.11 3h0r h LYS 73 N 0.22 0.70 0.00 1.92 1.57 -1.40 0.26 116.57 119.85 3h0r h LYS 73 Ca 0.01 -0.54 -0.03 0.00 -1.87 0.00 0.00 60.65 58.22 3h0r h LYS 73 Cb 0.97 0.10 -0.00 0.00 0.08 0.00 0.00 32.23 33.38 3h0r h LYS 73 CO 0.08 1.16 -0.15 0.00 -0.57 0.00 0.00 179.45 179.97 3h0r h ALA 74 N 0.70 1.54 0.00 3.86 0.00 -1.18 -3.20 119.26 120.98 3h0r h ALA 74 Ca -0.03 -0.13 -0.11 0.00 0.00 0.00 0.00 54.91 54.63 3h0r h ALA 74 Cb 1.32 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.07 3h0r h ALA 74 CO 0.14 0.19 -1.92 1.28 0.00 0.00 0.00 179.25 178.93 3h0r n LEU 75 N -4.05 0.00 -0.36 0.00 7.99 -0.63 -4.68 117.00 115.27 3h0r n LEU 75 Ca -0.02 0.00 0.26 0.00 -0.01 0.00 0.00 56.01 56.24 3h0r n LEU 75 Cb 0.23 0.15 0.53 0.00 -0.11 0.00 0.00 43.42 44.22 3h0r n LEU 75 CO 0.33 0.15 1.19 0.00 -1.51 0.00 0.00 177.39 177.56 3h0r h MET 76 N 0.00 0.31 0.00 3.23 -0.00 -0.46 0.24 114.93 118.24 3h0r h MET 76 Ca -0.16 -0.02 0.00 0.00 -0.00 0.00 0.00 59.70 59.52 3h0r h MET 76 Cb 1.25 -0.07 0.00 0.00 -0.00 0.00 0.00 31.60 32.78 3h0r h MET 76 CO 0.01 0.20 -0.21 0.09 -0.00 0.00 0.00 176.91 177.00 3h0r n ASN 77 N -4.77 0.72 -4.64 -0.10 3.02 -1.26 -4.93 115.26 103.30 3h0r n ASN 77 Ca 0.30 0.40 -0.49 0.00 -0.03 0.00 0.00 54.58 54.76 3h0r n ASN 77 Cb 1.03 -0.44 -0.05 0.00 -0.61 0.00 0.00 39.78 39.71 3h0r n ASN 77 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3h0r n ALA 78 N -1.77 0.37 -0.40 5.41 0.00 0.83 -4.87 120.51 120.08 3h0r n ALA 78 Ca 0.05 0.46 0.32 0.00 0.00 0.00 0.00 53.44 54.26 3h0r n ALA 78 Cb 0.42 -2.26 0.60 0.00 0.00 0.00 0.00 19.45 18.22 3h0r n ALA 78 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3h0r h PRO 79 N 5.77 0.18 -2.11 0.00 0.11 -1.91 -3.41 132.00 130.62 3h0r h PRO 79 Ca -0.46 -0.01 0.04 0.00 0.11 0.00 0.00 66.00 65.68 3h0r h PRO 79 Cb 1.29 -0.04 -0.22 0.00 0.11 0.00 0.00 31.00 32.14 3h0r h PRO 79 CO 0.86 0.12 -0.18 -2.00 -0.21 0.00 0.00 178.00 176.58 3h0r s GLU 80 N -5.38 0.52 0.22 1.05 2.12 -1.26 -5.10 118.70 110.87 3h0r s GLU 80 Ca -0.08 1.37 0.10 0.00 0.36 0.00 0.00 54.97 56.72 3h0r s GLU 80 Cb 0.29 0.76 -0.04 0.00 0.26 0.00 0.00 34.13 35.39 3h0r s GLU 80 CO 0.81 -0.21 -0.14 -0.98 -0.54 0.00 0.00 175.26 174.20 3h0r s ARG 81 N 2.83 1.89 -0.16 4.30 1.70 -1.26 -0.99 118.95 127.26 3h0r s ARG 81 Ca -0.05 -1.47 -0.07 0.00 -0.47 0.00 0.00 55.73 53.67 3h0r s ARG 81 Cb -0.12 -2.00 0.07 0.00 -0.57 0.00 0.00 34.95 32.33 3h0r s ARG 81 CO -0.18 0.39 0.36 0.21 -1.08 0.00 0.00 175.30 175.00 3h0r s LYS 82 N -3.10 0.30 -1.64 3.89 2.20 -0.46 -4.88 119.74 116.04 3h0r s LYS 82 Ca 0.26 0.80 0.00 0.00 -0.36 0.00 0.00 55.97 56.67 3h0r s LYS 82 Cb -0.07 0.05 0.00 0.00 -1.51 0.00 0.00 37.83 36.29 3h0r s LYS 82 CO 0.15 -0.21 0.00 -0.25 -0.36 0.00 0.00 175.35 174.68 3h0r n ASP 83 N 4.74 -4.39 0.00 1.43 8.00 -1.26 -0.41 116.55 124.66 3h0r n ASP 83 Ca -0.17 0.33 0.00 0.00 0.71 0.00 0.00 54.79 55.66 3h0r n ASP 83 Cb 0.52 -3.91 0.00 0.00 -0.02 0.00 0.00 41.12 37.71 3h0r n ASP 83 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3h0r n GLY 84 N -0.44 0.38 3.79 0.44 0.00 -1.26 -5.08 105.19 103.01 3h0r n GLY 84 Ca -0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.56 3h0r n GLY 84 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3h0r s PHE 85 N -2.00 3.19 0.31 1.61 0.08 0.45 -5.09 117.98 116.53 3h0r s PHE 85 Ca 0.00 0.06 -0.28 0.00 0.12 0.00 0.00 56.93 56.83 3h0r s PHE 85 Cb 0.00 -1.60 -0.09 0.00 -0.57 0.00 0.00 43.02 40.76 3h0r s PHE 85 CO 0.00 0.52 1.01 -0.06 -0.10 0.00 0.00 175.22 176.59 3h0r s PHE 86 N -1.48 3.64 -0.12 0.36 0.08 -1.26 -1.36 117.98 117.84 3h0r s PHE 86 Ca 0.30 1.76 0.01 0.00 0.12 0.00 0.00 56.93 59.13 3h0r s PHE 86 Cb -0.12 -3.08 -0.01 0.00 -0.57 0.00 0.00 43.02 39.24 3h0r s PHE 86 CO 0.23 -0.12 -0.17 0.08 -0.10 0.00 0.00 175.22 175.14 3h0r s VAL 87 N -1.39 2.67 0.19 -0.44 1.01 -0.17 -4.84 120.40 117.43 3h0r s VAL 87 Ca 0.48 -0.79 0.04 0.00 0.00 0.00 0.00 61.98 61.71 3h0r s VAL 87 Cb -0.25 -2.09 -0.05 0.00 0.00 0.00 0.00 36.38 33.99 3h0r s VAL 87 CO 0.31 0.53 -0.06 0.68 0.00 0.00 0.00 175.10 176.56 3h0r s VAL 88 N 0.41 1.16 0.13 2.92 -7.23 -1.26 -4.57 120.40 111.96 3h0r s VAL 88 Ca -0.13 -2.06 -0.30 0.00 -1.81 0.00 0.00 61.98 57.68 3h0r s VAL 88 Cb -0.17 -2.07 -0.17 0.00 0.56 0.00 0.00 36.38 34.53 3h0r s VAL 88 CO 0.06 -0.56 0.65 -0.81 -0.31 0.00 0.00 175.10 174.14 3h0r n PRO 89 N -0.31 0.00 -1.48 4.82 -0.04 -1.26 -4.82 135.00 131.92 3h0r n PRO 89 Ca -0.08 0.00 -0.39 0.00 -0.04 0.00 0.00 63.50 62.99 3h0r n PRO 89 Cb 0.62 -1.09 0.03 0.00 -0.04 0.00 0.00 33.50 33.02 3h0r n PRO 89 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 3h0r n ARG 90 N 1.09 0.61 -5.27 0.54 0.63 -1.26 -5.01 116.66 107.99 3h0r n ARG 90 Ca 0.17 0.23 -0.31 0.00 -0.92 0.00 0.00 57.85 57.02 3h0r n ARG 90 Cb 0.18 -1.70 -0.16 0.00 0.45 0.00 0.00 32.46 31.23 3h0r n ARG 90 CO 0.00 0.00 0.00 0.14 -2.51 0.00 0.00 177.63 175.26 3h0r s VAL 91 N -1.62 2.13 -2.71 5.15 -7.23 -1.26 -5.31 120.40 109.54 3h0r s VAL 91 Ca 0.67 -1.08 0.26 0.00 -1.81 0.00 0.00 61.98 60.03 3h0r s VAL 91 Cb -0.49 -1.74 0.40 0.00 0.56 0.00 0.00 36.38 35.11 3h0r s VAL 91 CO 0.55 0.58 1.54 1.33 -0.31 0.00 0.00 175.10 178.80