#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h0r s ASP 3 N 0.00 4.16 0.07 6.55 1.11 -1.26 -4.92 116.67 122.38 3h0r s ASP 3 Ca 0.00 2.08 -0.29 0.00 0.18 0.00 0.00 52.55 54.52 3h0r s ASP 3 Cb 0.00 -2.56 -0.17 0.00 1.07 0.00 0.00 42.92 41.26 3h0r s ASP 3 CO 0.00 -2.28 1.63 -0.09 1.18 0.00 0.00 175.17 175.61 3h0r h ARG 4 N -0.87 -0.53 -0.73 8.23 2.43 -2.00 -2.95 114.38 117.95 3h0r h ARG 4 Ca -0.45 0.04 0.15 0.00 -0.81 0.00 0.00 59.98 58.90 3h0r h ARG 4 Cb 1.26 0.12 -0.14 0.00 -0.42 0.00 0.00 29.97 30.79 3h0r h ARG 4 CO 0.49 -0.33 -0.16 1.49 -1.51 0.00 0.00 179.97 179.94 3h0r h GLU 5 N -0.58 0.01 0.03 0.20 4.81 -2.00 -1.56 114.58 115.48 3h0r h GLU 5 Ca -0.06 -0.00 0.03 0.00 -0.13 0.00 0.00 59.36 59.20 3h0r h GLU 5 Cb 0.44 -0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.77 3h0r h GLU 5 CO 0.09 0.01 -0.35 2.35 -0.73 0.00 0.00 179.01 180.38 3h0r h TRP 6 N 0.01 -0.98 -0.80 0.92 7.01 -1.92 -2.22 115.95 117.97 3h0r h TRP 6 Ca 0.36 0.03 0.14 0.00 2.11 0.00 0.00 58.89 61.52 3h0r h TRP 6 Cb 0.55 0.43 -0.09 0.00 -2.10 0.00 0.00 29.16 27.95 3h0r h TRP 6 CO -0.57 -0.45 0.38 0.28 -2.79 0.00 0.00 178.44 175.30 3h0r h VAL 7 N -0.52 0.73 -0.84 2.65 2.07 -1.13 -1.27 116.25 117.93 3h0r h VAL 7 Ca 0.05 -0.19 -0.03 0.00 0.82 0.00 0.00 66.70 67.34 3h0r h VAL 7 Cb 0.60 0.11 -0.04 0.00 -1.52 0.00 0.00 31.29 30.44 3h0r h VAL 7 CO -0.27 0.10 0.39 -0.07 0.02 0.00 0.00 177.57 177.75 3h0r h LEU 8 N 0.57 1.11 -0.12 2.57 3.38 -1.08 -1.69 115.31 120.03 3h0r h LEU 8 Ca 0.43 -0.14 -0.02 0.00 0.09 0.00 0.00 57.88 58.24 3h0r h LEU 8 Cb 0.59 -0.29 -0.00 0.00 0.09 0.00 0.00 40.66 41.05 3h0r h LEU 8 CO -0.36 0.94 -0.01 0.50 0.09 0.00 0.00 178.44 179.61 3h0r h LYS 9 N 1.20 0.22 -0.21 1.13 3.64 -0.65 0.72 116.57 122.62 3h0r h LYS 9 Ca 0.29 -0.07 -0.02 0.00 -1.27 0.00 0.00 60.65 59.57 3h0r h LYS 9 Cb 0.14 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.93 3h0r h LYS 9 CO -0.03 0.48 0.06 0.82 -2.27 0.00 0.00 179.45 178.50 3h0r h ILE 10 N -0.05 1.20 -0.89 2.00 1.08 -1.39 -1.72 117.51 117.74 3h0r h ILE 10 Ca 0.03 -0.65 0.08 0.00 -0.39 0.00 0.00 64.86 63.94 3h0r h ILE 10 Cb 0.38 1.23 -0.06 0.00 -3.07 0.00 0.00 36.82 35.30 3h0r h ILE 10 CO 0.01 0.20 0.58 0.00 -0.69 0.00 0.00 178.15 178.25 3h0r h ALA 11 N 0.87 1.57 -0.34 1.87 0.00 -1.22 0.14 119.26 122.16 3h0r h ALA 11 Ca 0.07 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 3h0r h ALA 11 Cb 0.26 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3h0r h ALA 11 CO -0.00 0.27 0.06 -0.22 0.00 0.00 0.00 179.25 179.36 3h0r h LYS 12 N 0.95 0.57 -0.78 0.00 3.64 -0.39 0.46 116.57 121.03 3h0r h LYS 12 Ca 0.39 -0.15 0.05 0.00 -1.27 0.00 0.00 60.65 59.68 3h0r h LYS 12 Cb 0.29 -0.07 -0.05 0.00 -0.41 0.00 0.00 32.23 31.99 3h0r h LYS 12 CO -0.16 0.65 0.51 -0.07 -2.27 0.00 0.00 179.45 178.11 3h0r h LEU 13 N 0.40 0.78 0.00 5.20 3.38 -0.62 -2.33 115.31 122.11 3h0r h LEU 13 Ca 0.10 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 3h0r h LEU 13 Cb 0.35 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.93 3h0r h LEU 13 CO 0.01 0.51 -0.47 0.00 0.09 0.00 0.00 178.44 178.58 3h0r n ALA 14 N -2.43 3.32 -3.16 1.53 0.00 0.44 -4.97 120.51 115.24 3h0r n ALA 14 Ca 0.11 -0.31 -0.14 0.00 0.00 0.00 0.00 53.44 53.10 3h0r n ALA 14 Cb 0.18 -1.17 0.07 0.00 0.00 0.00 0.00 19.45 18.53 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 -1.60 -2.62 -3.93 0.00 5.12 0.15 -5.03 116.66 108.75 3h0r n ARG 15 Ca 0.05 0.81 -0.28 0.00 -1.93 0.00 0.00 57.85 56.50 3h0r n ARG 15 Cb 0.35 -5.57 -0.16 0.00 -1.16 0.00 0.00 32.46 25.92 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 -5.34 1.62 -0.91 0.55 1.43 -0.29 -5.04 118.68 110.71 3h0r s LEU 16 Ca 0.38 -0.59 -0.20 0.00 -1.03 0.00 0.00 54.13 52.68 3h0r s LEU 16 Cb -0.05 -0.98 0.10 0.00 0.03 0.00 0.00 46.19 45.29 3h0r s LEU 16 CO 0.69 -0.15 1.18 -0.70 0.23 0.00 0.00 176.35 177.61 3h0r s GLU 17 N 1.59 3.52 0.27 1.70 2.12 -1.26 -4.42 118.70 122.22 3h0r s GLU 17 Ca 0.02 -1.44 -0.30 0.00 0.36 0.00 0.00 54.97 53.61 3h0r s GLU 17 Cb -0.14 -4.90 -0.10 0.00 0.26 0.00 0.00 34.13 29.24 3h0r s GLU 17 CO -0.08 -1.89 1.38 -0.51 -0.54 0.00 0.00 175.26 173.62 3h0r s LEU 18 N 3.48 4.40 0.51 2.70 1.43 -1.26 -5.01 118.68 124.93 3h0r s LEU 18 Ca 0.34 2.65 -0.19 0.00 -1.03 0.00 0.00 54.13 55.90 3h0r s LEU 18 Cb -0.05 -3.63 -0.07 0.00 0.03 0.00 0.00 46.19 42.46 3h0r s LEU 18 CO -0.06 -0.63 1.03 -0.54 0.23 0.00 0.00 176.35 176.38 3h0r s LYS 19 N -0.86 3.74 0.46 1.70 1.02 -1.26 -4.90 119.74 119.63 3h0r s LYS 19 Ca 0.55 1.23 0.18 0.00 0.02 0.00 0.00 55.97 57.95 3h0r s LYS 19 Cb -0.40 -2.09 1.15 0.00 -0.52 0.00 0.00 37.83 35.96 3h0r s LYS 19 CO 0.46 -0.47 1.97 1.49 -0.92 0.00 0.00 175.35 177.88 3h0r h GLU 20 N 1.20 0.28 0.23 1.68 4.57 -2.01 -1.70 114.58 118.84 3h0r h GLU 20 Ca -0.48 -0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 57.67 3h0r h GLU 20 Cb 1.21 -0.06 -0.00 0.00 -0.16 0.00 0.00 28.75 29.73 3h0r h GLU 20 CO 0.59 0.18 -0.15 0.93 -1.18 0.00 0.00 179.01 179.39 3h0r h GLU 21 N 0.29 -0.36 -0.51 1.92 3.07 -2.01 -3.06 114.58 113.92 3h0r h GLU 21 Ca 0.29 0.02 0.08 0.00 -0.50 0.00 0.00 59.36 59.26 3h0r h GLU 21 Cb 0.76 0.08 -0.07 0.00 -0.84 0.00 0.00 28.75 28.68 3h0r h GLU 21 CO -0.07 -0.24 0.13 0.93 -1.40 0.00 0.00 179.01 178.37 3h0r h GLU 22 N -0.37 0.28 -0.81 2.33 5.08 -1.70 -1.17 114.58 118.21 3h0r h GLU 22 Ca -0.02 -0.02 0.15 0.00 -1.00 0.00 0.00 59.36 58.47 3h0r h GLU 22 Cb 0.31 -0.06 -0.09 0.00 0.50 0.00 0.00 28.75 29.40 3h0r h GLU 22 CO 0.02 0.18 0.38 0.82 -1.00 0.00 0.00 179.01 179.41 3h0r h ILE 23 N 0.28 0.69 -0.05 3.13 2.04 -1.41 0.39 117.51 122.59 3h0r h ILE 23 Ca 0.25 -0.19 -0.24 0.00 1.00 0.00 0.00 64.86 65.69 3h0r h ILE 23 Cb 0.32 0.11 0.01 0.00 -0.74 0.00 0.00 36.82 36.52 3h0r h ILE 23 CO -0.30 0.10 -0.92 -0.08 0.00 0.00 0.00 178.15 176.94 3h0r h GLU 24 N 0.54 0.63 0.44 2.37 4.81 -1.21 -3.01 114.58 119.14 3h0r h GLU 24 Ca 0.44 -0.62 -0.02 0.00 -0.13 0.00 0.00 59.36 59.03 3h0r h GLU 24 Cb 0.65 0.16 0.00 0.00 0.63 0.00 0.00 28.75 30.20 3h0r h GLU 24 CO -0.38 1.22 -0.21 0.28 -0.73 0.00 0.00 179.01 179.19 3h0r h VAL 25 N 0.39 0.45 0.00 0.32 2.07 -0.72 -3.24 116.25 115.52 3h0r h VAL 25 Ca -0.09 -0.49 0.00 0.00 0.82 0.00 0.00 66.70 66.94 3h0r h VAL 25 Cb 1.56 0.64 0.00 0.00 -1.52 0.00 0.00 31.29 31.97 3h0r h VAL 25 CO 0.18 0.07 0.00 0.49 0.02 0.00 0.00 177.57 178.33 3h0r n PHE 26 N -5.22 0.30 0.14 1.57 3.72 0.13 -1.51 117.46 116.59 3h0r n PHE 26 Ca -0.10 0.13 -0.13 0.00 -0.05 0.00 0.00 57.45 57.31 3h0r n PHE 26 Cb 0.30 -0.72 -0.08 0.00 -0.94 0.00 0.00 39.48 38.04 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 -0.38 -0.02 -1.08 4.20 -1.55 -2.68 115.11 113.60 3h0r h GLN 27 Ca 0.00 0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.73 3h0r h GLN 27 Cb 0.15 0.09 -0.00 0.00 0.30 0.00 0.00 27.48 28.01 3h0r h GLN 27 CO 0.00 -0.05 0.00 -0.22 -0.67 0.00 0.00 178.83 177.90 3h0r h LYS 28 N -0.82 0.03 0.12 1.46 3.64 -1.34 -2.07 116.57 117.60 3h0r h LYS 28 Ca -0.04 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 3h0r h LYS 28 Cb 0.51 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.32 3h0r h LYS 28 CO 0.07 0.30 -0.12 1.96 -2.27 0.00 0.00 179.45 179.39 3h0r h GLN 29 N -0.24 -0.26 -0.27 1.90 4.20 -1.44 0.11 115.11 119.11 3h0r h GLN 29 Ca 0.01 0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.73 3h0r h GLN 29 Cb 0.28 0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.11 3h0r h GLN 29 CO 0.00 -0.17 0.14 -0.07 -0.67 0.00 0.00 178.83 178.06 3h0r h LEU 30 N -0.27 0.35 -0.59 1.46 3.38 -1.53 0.19 115.31 118.31 3h0r h LEU 30 Ca 0.00 -0.11 0.11 0.00 0.09 0.00 0.00 57.88 57.97 3h0r h LEU 30 Cb 0.26 -0.09 -0.08 0.00 0.09 0.00 0.00 40.66 40.83 3h0r h LEU 30 CO -0.03 0.36 0.12 0.28 0.09 0.00 0.00 178.44 179.26 3h0r h SER 31 N 0.32 -0.00 0.25 -0.43 0.02 -1.08 0.51 113.55 113.14 3h0r h SER 31 Ca 0.10 0.11 0.01 0.00 -0.84 0.00 0.00 61.79 61.16 3h0r h SER 31 Cb 0.10 0.15 -0.03 0.00 0.14 0.00 0.00 62.40 62.76 3h0r h SER 31 CO -0.01 0.01 -0.35 0.44 -1.14 0.00 0.00 176.83 175.77 3h0r h ASP 32 N 0.25 -0.99 -0.91 3.07 3.32 -0.41 -2.01 116.42 118.75 3h0r h ASP 32 Ca 0.31 0.10 0.01 0.00 0.02 0.00 0.00 57.03 57.46 3h0r h ASP 32 Cb 0.46 0.35 -0.04 0.00 0.22 0.00 0.00 39.33 40.31 3h0r h ASP 32 CO -0.40 -0.47 0.59 0.40 -1.72 0.00 0.00 179.24 177.64 3h0r h ILE 33 N -0.67 1.24 -0.20 0.35 2.04 -0.07 0.46 117.51 120.66 3h0r h ILE 33 Ca -0.00 -0.45 -0.03 0.00 1.00 0.00 0.00 64.86 65.37 3h0r h ILE 33 Cb 0.64 -0.09 -0.01 0.00 -0.74 0.00 0.00 36.82 36.62 3h0r h ILE 33 CO -0.13 0.23 -0.03 -0.07 0.00 0.00 0.00 178.15 178.16 3h0r h LEU 34 N 1.24 0.26 0.07 1.44 4.07 0.15 0.29 115.31 122.83 3h0r h LEU 34 Ca 0.33 -0.04 -0.26 0.00 0.08 0.00 0.00 57.88 58.00 3h0r h LEU 34 Cb -0.12 -0.07 -0.00 0.00 1.08 0.00 0.00 40.66 41.55 3h0r h LEU 34 CO -0.07 0.34 -1.17 0.44 -1.08 0.00 0.00 178.44 176.90 3h0r h ASP 35 N 0.28 0.33 -0.30 -0.43 3.32 -0.48 -3.05 116.42 116.10 3h0r h ASP 35 Ca 0.06 -0.35 -0.03 0.00 0.02 0.00 0.00 57.03 56.74 3h0r h ASP 35 Cb 0.24 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.67 3h0r h ASP 35 CO 0.01 1.26 0.08 0.15 -1.72 0.00 0.00 179.24 179.02 3h0r h PHE 36 N 0.07 0.49 -0.03 4.55 3.57 0.75 -3.12 116.94 123.22 3h0r h PHE 36 Ca -0.10 -0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.34 3h0r h PHE 36 Cb 1.90 -0.14 0.00 0.00 2.79 0.00 0.00 35.95 40.50 3h0r h PHE 36 CO 0.05 0.52 0.00 0.44 -2.23 0.00 0.00 178.31 177.09 3h0r n ILE 37 N -4.68 0.03 0.73 1.41 -5.35 0.95 -4.41 119.36 108.04 3h0r n ILE 37 Ca -0.02 -0.20 -0.00 0.00 -0.27 0.00 0.00 62.75 62.26 3h0r n ILE 37 Cb 0.18 0.23 0.00 0.00 -1.74 0.00 0.00 39.64 38.31 3h0r n ILE 37 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12 3h0r n ASP 38 N -0.09 3.42 0.01 7.28 2.03 -1.15 -4.29 116.55 123.75 3h0r n ASP 38 Ca 0.19 -2.07 0.13 0.00 0.52 0.00 0.00 54.79 53.55 3h0r n ASP 38 Cb 0.29 -0.61 0.34 0.00 -0.72 0.00 0.00 41.12 40.42 3h0r n ASP 38 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3h0r n GLN 39 N 0.67 0.02 0.21 -0.67 1.13 -1.26 -4.52 117.38 112.96 3h0r n GLN 39 Ca 0.00 0.01 0.11 0.00 -1.94 0.00 0.00 57.00 55.18 3h0r n GLN 39 Cb 0.50 -1.52 0.15 0.00 0.11 0.00 0.00 30.24 29.48 3h0r n GLN 39 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 3h0r h LEU 40 N 0.00 0.00 -1.58 1.08 3.38 -1.98 -3.33 115.31 112.89 3h0r h LEU 40 Ca 0.00 0.00 0.19 0.00 0.09 0.00 0.00 57.88 58.16 3h0r h LEU 40 Cb 0.52 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.21 3h0r h LEU 40 CO 0.00 0.05 0.56 0.11 0.09 0.00 0.00 178.44 179.25 3h0r h LYS 41 N 0.00 0.36 0.00 1.13 1.57 -1.95 -1.93 116.57 115.75 3h0r h LYS 41 Ca -0.00 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.74 3h0r h LYS 41 Cb 1.04 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 33.26 3h0r h LYS 41 CO 0.01 0.24 -0.08 0.93 -0.57 0.00 0.00 179.45 179.98 3h0r h GLU 42 N 0.37 0.00 -6.27 3.15 5.08 -1.93 -3.42 114.58 111.56 3h0r h GLU 42 Ca 0.43 0.00 -0.56 0.00 -1.00 0.00 0.00 59.36 58.22 3h0r h GLU 42 Cb 1.10 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.30 3h0r h GLU 42 CO -0.14 0.08 0.01 -0.51 -1.00 0.00 0.00 179.01 177.45 3h0r s LEU 43 N -6.90 4.53 -0.28 1.33 1.43 -0.73 -5.06 118.68 113.00 3h0r s LEU 43 Ca -0.02 1.32 -0.19 0.00 -1.03 0.00 0.00 54.13 54.21 3h0r s LEU 43 Cb 0.12 -2.98 -0.02 0.00 0.03 0.00 0.00 46.19 43.35 3h0r s LEU 43 CO 0.55 0.24 0.56 -0.62 0.23 0.00 0.00 176.35 177.30 3h0r s ASP 44 N -0.98 6.46 0.00 2.29 2.15 -1.26 -4.94 116.67 120.39 3h0r s ASP 44 Ca 0.31 0.47 0.00 0.00 0.43 0.00 0.00 52.55 53.76 3h0r s ASP 44 Cb -0.20 -2.30 0.00 0.00 -0.30 0.00 0.00 42.92 40.12 3h0r s ASP 44 CO 0.20 -0.36 0.44 0.35 -0.17 0.00 0.00 175.17 175.62 3h0r n THR 45 N 5.25 0.01 -1.68 1.71 -2.24 -1.26 -4.91 114.28 111.15 3h0r n THR 45 Ca -0.03 -0.44 -0.43 0.00 -2.27 0.00 0.00 64.05 60.88 3h0r n THR 45 Cb 0.49 1.13 -0.01 0.00 -2.10 0.00 0.00 70.33 69.84 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 -0.00 2.05 -1.50 -0.78 1.02 -1.26 -1.36 120.64 118.81 3h0r n GLU 46 Ca 0.00 0.72 -0.10 0.00 -0.02 0.00 0.00 57.16 57.76 3h0r n GLU 46 Cb 0.04 -2.30 -0.03 0.00 -0.02 0.00 0.00 31.44 29.12 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 1.14 -4.02 -4.09 1.62 3.02 -1.26 -5.02 115.26 106.65 3h0r n ASN 47 Ca 0.07 0.19 -0.27 0.00 -0.03 0.00 0.00 54.58 54.53 3h0r n ASN 47 Cb 0.35 -2.61 -0.17 0.00 -0.61 0.00 0.00 39.78 36.74 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 -2.40 1.47 0.22 2.41 1.01 -0.46 -5.14 120.40 117.50 3h0r s VAL 48 Ca 0.00 -0.67 -0.29 0.00 0.00 0.00 0.00 61.98 61.02 3h0r s VAL 48 Cb 0.00 -1.31 -0.09 0.00 0.00 0.00 0.00 36.38 34.99 3h0r s VAL 48 CO 0.00 0.43 0.91 -1.61 0.00 0.00 0.00 175.10 174.82 3h0r s GLU 49 N 0.55 4.79 0.47 2.72 0.41 -1.26 -5.01 118.70 121.36 3h0r s GLU 49 Ca -0.16 1.41 -0.23 0.00 -0.41 0.00 0.00 54.97 55.58 3h0r s GLU 49 Cb -0.17 -3.28 -0.09 0.00 -1.78 0.00 0.00 34.13 28.81 3h0r s GLU 49 CO 0.06 0.51 1.11 -0.35 -0.49 0.00 0.00 175.26 176.10 3h0r n PRO 50 N 1.60 1.48 -1.82 0.39 -0.04 -1.26 -4.87 135.00 130.48 3h0r n PRO 50 Ca -0.03 0.54 -0.42 0.00 -0.04 0.00 0.00 63.50 63.55 3h0r n PRO 50 Cb 0.47 -2.22 -0.03 0.00 -0.04 0.00 0.00 33.50 31.69 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 -1.30 2.64 0.11 0.54 5.04 -1.26 -5.02 117.35 118.10 3h0r s TYR 51 Ca 0.66 0.31 0.06 0.00 -2.44 0.00 0.00 57.07 55.65 3h0r s TYR 51 Cb -0.50 -4.06 -0.04 0.00 0.35 0.00 0.00 41.96 37.71 3h0r s TYR 51 CO 0.55 -4.15 -0.15 0.42 -1.34 0.00 0.00 175.55 170.88 3h0r s ILE 52 N 1.90 1.29 0.60 3.14 1.01 -1.26 -5.14 121.20 122.75 3h0r s ILE 52 Ca 0.75 -1.59 -0.18 0.00 0.00 0.00 0.00 60.65 59.63 3h0r s ILE 52 Cb -0.45 -1.41 -0.03 0.00 0.01 0.00 0.00 42.46 40.58 3h0r s ILE 52 CO 0.33 -0.34 1.18 0.00 0.00 0.00 0.00 174.94 176.11 3h0r s GLN 53 N -2.36 2.96 0.60 2.79 -2.07 -1.26 -5.02 119.66 115.30 3h0r s GLN 53 Ca 0.06 1.74 -0.17 0.00 -1.82 0.00 0.00 55.36 55.16 3h0r s GLN 53 Cb -0.07 -1.94 -0.03 0.00 -1.09 0.00 0.00 33.01 29.89 3h0r s GLN 53 CO 0.03 -1.19 1.12 -1.21 -1.32 0.00 0.00 175.29 172.72 3h0r s GLU 54 N -3.44 3.08 -0.29 9.60 2.02 -1.26 -5.06 118.70 123.35 3h0r s GLU 54 Ca 0.75 1.50 -0.24 0.00 0.02 0.00 0.00 54.97 57.00 3h0r s GLU 54 Cb -0.28 -1.98 0.16 0.00 0.10 0.00 0.00 34.13 32.13 3h0r s GLU 54 CO 0.34 -1.04 1.22 -0.59 0.02 0.00 0.00 175.26 175.20 3h0r s PHE 55 N -2.06 -0.28 0.02 1.61 -0.71 -1.26 -5.07 117.98 110.23 3h0r s PHE 55 Ca 0.70 0.65 -0.14 0.00 -1.04 0.00 0.00 56.93 57.10 3h0r s PHE 55 Cb -0.22 0.39 -0.34 0.00 -1.21 0.00 0.00 43.02 41.64 3h0r s PHE 55 CO 0.34 -0.13 0.94 1.49 -1.34 0.00 0.00 175.22 176.52 3h0r h GLU 56 N 3.95 0.50 -3.66 1.99 4.57 -2.07 -3.47 114.58 116.39 3h0r h GLU 56 Ca -0.28 -0.85 -0.22 0.00 -1.18 0.00 0.00 59.36 56.83 3h0r h GLU 56 Cb 1.19 0.32 -0.27 0.00 -0.16 0.00 0.00 28.75 29.82 3h0r h GLU 56 CO 0.15 1.41 -0.67 -2.00 -1.18 0.00 0.00 179.01 176.71 3h0r s GLU 57 N -2.60 0.07 0.11 1.92 2.12 -1.26 -5.12 118.70 113.93 3h0r s GLU 57 Ca -0.10 0.01 -0.31 0.00 0.36 0.00 0.00 54.97 54.93 3h0r s GLU 57 Cb 0.04 0.03 -0.10 0.00 0.26 0.00 0.00 34.13 34.36 3h0r s GLU 57 CO 0.93 -0.01 1.88 0.99 -0.54 0.00 0.00 175.26 178.51 3h0r s THR 58 N -0.09 2.61 -0.33 -1.70 2.01 -1.26 -4.92 115.64 111.97 3h0r s THR 58 Ca -0.01 0.00 -0.29 0.00 0.31 0.00 0.00 61.69 61.71 3h0r s THR 58 Cb -0.01 -3.00 -0.01 0.00 0.01 0.00 0.00 72.50 69.49 3h0r s THR 58 CO 0.00 -0.00 1.57 -2.16 -0.69 0.00 0.00 174.62 173.34 3h0r s PRO 59 N 3.18 3.59 0.32 4.92 0.04 -1.26 -5.00 135.00 140.79 3h0r s PRO 59 Ca 0.83 1.31 0.08 0.00 0.04 0.00 0.00 61.00 63.26 3h0r s PRO 59 Cb -0.46 -4.07 -0.06 0.00 0.04 0.00 0.00 34.50 29.95 3h0r s PRO 59 CO 0.38 -1.54 -0.07 -1.64 0.04 0.00 0.00 177.00 174.17 3h0r s MET 60 N 5.02 1.69 0.07 4.56 -1.94 -1.26 -5.16 119.30 122.27 3h0r s MET 60 Ca 0.69 -1.87 0.05 0.00 -1.71 0.00 0.00 55.69 52.85 3h0r s MET 60 Cb -0.20 -1.40 -0.03 0.00 2.01 0.00 0.00 34.83 35.22 3h0r s MET 60 CO 0.31 0.07 -0.14 0.50 -0.01 0.00 0.00 175.02 175.75 3h0r s ARG 61 N -3.68 0.82 0.69 2.03 3.52 -1.26 -5.14 118.95 115.93 3h0r s ARG 61 Ca 0.31 -0.93 -0.13 0.00 -0.13 0.00 0.00 55.73 54.85 3h0r s ARG 61 Cb 0.04 -0.83 0.01 0.00 -1.56 0.00 0.00 34.95 32.61 3h0r s ARG 61 CO 0.14 0.19 1.09 -1.21 -0.81 0.00 0.00 175.30 174.70 3h0r s GLU 62 N -1.67 2.71 -1.53 5.12 0.41 -1.26 -4.93 118.70 117.55 3h0r s GLU 62 Ca -0.02 1.26 -0.10 0.00 -0.41 0.00 0.00 54.97 55.70 3h0r s GLU 62 Cb -0.10 -1.95 -0.02 0.00 -1.78 0.00 0.00 34.13 30.29 3h0r s GLU 62 CO 0.02 -1.30 2.67 -3.47 -0.49 0.00 0.00 175.26 172.68 3h0r n ASP 63 N -2.78 7.46 -4.08 -0.19 2.03 -1.26 -4.89 116.55 112.84 3h0r n ASP 63 Ca 0.09 -2.74 -0.30 0.00 0.52 0.00 0.00 54.79 52.36 3h0r n ASP 63 Cb 0.53 -1.55 -0.17 0.00 -0.72 0.00 0.00 41.12 39.21 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 1.77 2.45 0.19 -0.67 2.02 -1.26 -5.11 118.70 118.10 3h0r s GLU 64 Ca 0.61 -0.64 -0.33 0.00 0.02 0.00 0.00 54.97 54.63 3h0r s GLU 64 Cb 0.17 -2.06 -0.14 0.00 0.10 0.00 0.00 34.13 32.20 3h0r s GLU 64 CO -0.07 -0.07 1.46 -2.30 0.02 0.00 0.00 175.26 174.31 3h0r n PRO 65 N 4.22 1.98 -4.25 0.39 -0.02 -1.26 -5.01 135.00 131.05 3h0r n PRO 65 Ca -0.19 0.71 -0.35 0.00 -2.02 0.00 0.00 63.50 61.65 3h0r n PRO 65 Cb 0.51 -2.40 -0.09 0.00 -0.02 0.00 0.00 33.50 31.50 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 0.36 3.25 -0.11 6.00 3.76 -1.26 -5.05 115.29 122.24 3h0r s HIS 66 Ca 0.74 0.24 -0.35 0.00 -0.15 0.00 0.00 55.06 55.53 3h0r s HIS 66 Cb -0.69 -1.84 -0.13 0.00 1.11 0.00 0.00 32.58 31.03 3h0r s HIS 66 CO 0.45 0.49 1.84 -2.30 -0.85 0.00 0.00 174.74 174.36 3h0r n PRO 67 N 2.25 1.99 -0.49 8.40 -0.02 -1.26 -4.93 135.00 140.94 3h0r n PRO 67 Ca -0.19 0.73 -0.28 0.00 -2.02 0.00 0.00 63.50 61.74 3h0r n PRO 67 Cb 0.54 -2.54 0.26 0.00 -0.02 0.00 0.00 33.50 31.74 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 3.77 0.67 0.46 2.55 0.01 -1.26 -4.99 113.70 114.90 3h0r s SER 68 Ca 0.93 1.49 -0.22 0.00 1.31 0.00 0.00 55.95 59.45 3h0r s SER 68 Cb -0.76 -2.30 -0.08 0.00 0.21 0.00 0.00 66.02 63.09 3h0r s SER 68 CO 0.53 -4.39 1.12 -0.22 0.41 0.00 0.00 173.24 170.69 3h0r s LEU 69 N -7.33 3.99 0.16 2.44 2.96 -1.26 -4.99 118.68 114.65 3h0r s LEU 69 Ca 0.69 2.19 -0.31 0.00 -0.22 0.00 0.00 54.13 56.48 3h0r s LEU 69 Cb -0.26 -4.30 -0.10 0.00 0.50 0.00 0.00 46.19 42.04 3h0r s LEU 69 CO 0.65 -0.85 1.51 -0.62 -1.32 0.00 0.00 176.35 175.73 3h0r s ASP 70 N -1.52 6.65 0.51 3.68 2.15 -1.26 -4.90 116.67 121.99 3h0r s ASP 70 Ca 0.64 2.55 0.27 0.00 0.43 0.00 0.00 52.55 56.44 3h0r s ASP 70 Cb -0.25 -2.59 1.38 0.00 -0.30 0.00 0.00 42.92 41.16 3h0r s ASP 70 CO 0.31 -0.77 1.92 -0.09 -0.17 0.00 0.00 175.17 176.37 3h0r h ARG 71 N 6.64 0.07 -0.40 4.34 2.43 -1.97 -1.57 114.38 123.92 3h0r h ARG 71 Ca -0.43 -0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 58.70 3h0r h ARG 71 Cb 1.21 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.72 3h0r h ARG 71 CO 0.89 0.05 0.11 1.49 -1.51 0.00 0.00 179.97 181.00 3h0r h GLU 72 N 0.07 0.63 -0.02 0.20 4.81 -1.98 -0.57 114.58 117.72 3h0r h GLU 72 Ca 0.38 -0.15 -0.14 0.00 -0.13 0.00 0.00 59.36 59.32 3h0r h GLU 72 Cb 1.39 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 30.66 3h0r h GLU 72 CO -0.03 0.65 -0.62 0.87 -0.73 0.00 0.00 179.01 179.14 3h0r h LYS 73 N 0.51 0.09 0.00 1.92 1.57 -1.71 0.26 116.57 119.21 3h0r h LYS 73 Ca 0.13 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 3h0r h LYS 73 Cb 0.29 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.61 3h0r h LYS 73 CO -0.00 0.68 0.00 0.00 -0.57 0.00 0.00 179.45 179.56 3h0r h ALA 74 N 1.31 1.00 0.00 3.86 0.00 -1.19 -3.31 119.26 120.93 3h0r h ALA 74 Ca -0.01 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.80 3h0r h ALA 74 Cb 1.11 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.88 3h0r h ALA 74 CO 0.09 0.00 -1.65 1.28 0.00 0.00 0.00 179.25 178.97 3h0r n LEU 75 N -2.78 0.00 -0.38 0.00 7.99 -0.24 -4.74 117.00 116.85 3h0r n LEU 75 Ca 0.03 0.00 0.31 0.00 -0.01 0.00 0.00 56.01 56.34 3h0r n LEU 75 Cb 0.37 0.14 0.58 0.00 -0.11 0.00 0.00 43.42 44.40 3h0r n LEU 75 CO 0.28 0.14 1.17 0.00 -1.51 0.00 0.00 177.39 177.47 3h0r h MET 76 N 0.00 0.16 -0.00 3.23 -0.00 -0.56 0.36 114.93 118.12 3h0r h MET 76 Ca -0.15 -0.01 0.00 0.00 -0.00 0.00 0.00 59.70 59.54 3h0r h MET 76 Cb 1.12 -0.04 0.00 0.00 -0.00 0.00 0.00 31.60 32.68 3h0r h MET 76 CO 0.01 0.11 -0.06 0.09 -0.00 0.00 0.00 176.91 177.05 3h0r n ASN 77 N -4.88 0.13 -4.70 -0.10 3.02 -1.26 -4.92 115.26 102.56 3h0r n ASN 77 Ca 0.35 -0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.47 3h0r n ASN 77 Cb 1.23 -0.28 -0.03 0.00 -0.61 0.00 0.00 39.78 40.10 3h0r n ASN 77 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3h0r s ALA 78 N -2.74 3.61 0.23 5.41 0.00 0.13 -4.93 121.76 123.46 3h0r s ALA 78 Ca 0.22 1.05 -0.07 0.00 0.00 0.00 0.00 51.96 53.16 3h0r s ALA 78 Cb 0.20 -3.59 0.40 0.00 0.00 0.00 0.00 23.12 20.12 3h0r s ALA 78 CO 0.51 -0.84 1.70 -1.35 0.00 0.00 0.00 175.76 175.78 3h0r h PRO 79 N 7.52 0.28 -3.44 0.00 0.11 -1.91 -3.41 132.00 131.16 3h0r h PRO 79 Ca -0.40 -0.02 -0.29 0.00 0.11 0.00 0.00 66.00 65.39 3h0r h PRO 79 Cb 1.19 -0.06 -0.34 0.00 0.11 0.00 0.00 31.00 31.90 3h0r h PRO 79 CO 0.89 0.19 -0.70 -2.00 -0.21 0.00 0.00 178.00 176.17 3h0r s GLU 80 N -6.07 -0.02 0.02 1.05 2.12 -1.26 -5.10 118.70 109.45 3h0r s GLU 80 Ca -0.13 0.25 0.04 0.00 0.36 0.00 0.00 54.97 55.49 3h0r s GLU 80 Cb 0.20 -0.26 -0.02 0.00 0.26 0.00 0.00 34.13 34.31 3h0r s GLU 80 CO 0.75 -0.19 -0.12 -0.98 -0.54 0.00 0.00 175.26 174.19 3h0r s ARG 81 N 1.22 0.81 -0.13 4.30 1.70 -1.26 -0.93 118.95 124.66 3h0r s ARG 81 Ca -0.08 -0.61 -0.05 0.00 -0.47 0.00 0.00 55.73 54.52 3h0r s ARG 81 Cb -0.13 -0.78 0.06 0.00 -0.57 0.00 0.00 34.95 33.54 3h0r s ARG 81 CO -0.04 0.20 0.28 0.21 -1.08 0.00 0.00 175.30 174.87 3h0r s LYS 82 N -0.88 0.18 -1.44 3.89 2.20 0.31 -4.93 119.74 119.08 3h0r s LYS 82 Ca 0.01 0.74 0.00 0.00 -0.36 0.00 0.00 55.97 56.35 3h0r s LYS 82 Cb -0.07 -0.02 0.00 0.00 -1.51 0.00 0.00 37.83 36.23 3h0r s LYS 82 CO 0.01 -0.26 0.00 -0.25 -0.36 0.00 0.00 175.35 174.49 3h0r n ASP 83 N 5.11 -4.72 0.00 1.43 8.00 -1.26 -0.32 116.55 124.80 3h0r n ASP 83 Ca -0.10 0.15 0.00 0.00 0.71 0.00 0.00 54.79 55.54 3h0r n ASP 83 Cb 0.50 -4.01 0.00 0.00 -0.02 0.00 0.00 41.12 37.59 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 -0.80 0.74 3.75 0.44 0.00 -1.26 -5.09 105.19 102.97 3h0r n GLY 84 Ca -0.19 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.51 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 -2.62 3.20 0.48 1.61 0.08 0.57 -5.09 117.98 116.21 3h0r s PHE 85 Ca 0.00 0.15 -0.21 0.00 0.12 0.00 0.00 56.93 56.99 3h0r s PHE 85 Cb 0.00 -1.69 -0.08 0.00 -0.57 0.00 0.00 43.02 40.68 3h0r s PHE 85 CO 0.00 0.52 1.08 -0.06 -0.10 0.00 0.00 175.22 176.66 3h0r s PHE 86 N -1.20 2.94 -0.08 0.36 0.08 -1.26 -0.53 117.98 118.29 3h0r s PHE 86 Ca 0.23 1.57 0.03 0.00 0.12 0.00 0.00 56.93 58.88 3h0r s PHE 86 Cb -0.12 -3.17 0.01 0.00 -0.57 0.00 0.00 43.02 39.17 3h0r s PHE 86 CO 0.14 -1.07 -0.15 0.08 -0.10 0.00 0.00 175.22 174.12 3h0r s VAL 87 N -1.82 1.39 0.08 -0.44 1.01 -0.11 -4.80 120.40 115.71 3h0r s VAL 87 Ca 0.67 -0.62 0.01 0.00 0.00 0.00 0.00 61.98 62.03 3h0r s VAL 87 Cb -0.21 -1.24 -0.04 0.00 0.00 0.00 0.00 36.38 34.89 3h0r s VAL 87 CO 0.25 0.41 -0.05 0.68 0.00 0.00 0.00 175.10 176.39 3h0r s VAL 88 N 0.61 0.53 0.36 2.92 -7.23 -1.26 -4.55 120.40 111.79 3h0r s VAL 88 Ca -0.15 -1.90 -0.26 0.00 -1.81 0.00 0.00 61.98 57.86 3h0r s VAL 88 Cb -0.16 -1.64 -0.12 0.00 0.56 0.00 0.00 36.38 35.01 3h0r s VAL 88 CO 0.05 -0.90 1.13 -0.81 -0.31 0.00 0.00 175.10 174.25 3h0r n PRO 89 N 0.00 1.67 -1.26 4.82 -0.04 -1.26 -4.83 135.00 134.10 3h0r n PRO 89 Ca -0.13 0.59 -0.37 0.00 -0.04 0.00 0.00 63.50 63.55 3h0r n PRO 89 Cb 0.61 -2.13 0.05 0.00 -0.04 0.00 0.00 33.50 31.99 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 0.40 0.23 -5.00 0.54 0.63 -1.26 -5.00 116.66 107.20 3h0r n ARG 90 Ca 0.08 0.10 -0.28 0.00 -0.92 0.00 0.00 57.85 56.83 3h0r n ARG 90 Cb 0.36 -1.55 -0.16 0.00 0.45 0.00 0.00 32.46 31.56 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 -1.92 1.67 0.00 5.15 -7.23 -1.26 -5.32 120.40 111.49 3h0r s VAL 91 Ca 0.61 -0.85 0.00 0.00 -1.81 0.00 0.00 61.98 59.93 3h0r s VAL 91 Cb -0.38 -1.42 0.00 0.00 0.56 0.00 0.00 36.38 35.14 3h0r s VAL 91 CO 0.62 0.47 0.00 0.52 -0.31 0.00 0.00 175.10 176.40