#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 -0.17 -0.12 6.55 9.92 -1.26 -4.83 116.55 126.64 3h0r n ASP 3 Ca 0.00 0.79 -0.04 0.00 -0.53 0.00 0.00 54.79 55.01 3h0r n ASP 3 Cb 0.00 -1.27 0.03 0.00 -0.64 0.00 0.00 41.12 39.25 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 0.45 0.20 -0.72 -1.24 2.43 -1.99 -1.96 114.38 111.54 3h0r h ARG 4 Ca -0.46 -0.01 0.16 0.00 -0.81 0.00 0.00 59.98 58.85 3h0r h ARG 4 Cb 1.38 -0.04 -0.11 0.00 -0.42 0.00 0.00 29.97 30.78 3h0r h ARG 4 CO 0.49 0.13 0.16 1.49 -1.51 0.00 0.00 179.97 180.74 3h0r h GLU 5 N 0.21 0.25 0.30 0.20 4.81 -1.99 -0.59 114.58 117.76 3h0r h GLU 5 Ca 0.20 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.40 3h0r h GLU 5 Cb 0.24 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.57 3h0r h GLU 5 CO -0.26 0.16 -0.14 2.35 -0.73 0.00 0.00 179.01 180.39 3h0r h TRP 6 N 0.26 -0.37 -0.58 0.92 7.01 -1.83 -2.38 115.95 118.97 3h0r h TRP 6 Ca 0.41 -0.01 0.11 0.00 2.11 0.00 0.00 58.89 61.51 3h0r h TRP 6 Cb 0.69 0.12 -0.08 0.00 -2.10 0.00 0.00 29.16 27.79 3h0r h TRP 6 CO -0.27 -0.11 0.11 0.28 -2.79 0.00 0.00 178.44 175.67 3h0r h VAL 7 N -0.59 0.64 -0.81 2.65 2.07 -0.82 -0.65 116.25 118.74 3h0r h VAL 7 Ca -0.04 -0.08 -0.01 0.00 0.82 0.00 0.00 66.70 67.39 3h0r h VAL 7 Cb 0.43 0.38 -0.04 0.00 -1.52 0.00 0.00 31.29 30.54 3h0r h VAL 7 CO 0.07 0.04 0.47 -0.07 0.02 0.00 0.00 177.57 178.10 3h0r h LEU 8 N 0.24 0.99 -0.02 2.57 3.38 -1.11 -1.90 115.31 119.46 3h0r h LEU 8 Ca 0.30 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.20 3h0r h LEU 8 Cb 0.45 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.95 3h0r h LEU 8 CO -0.40 0.77 -0.01 0.50 0.09 0.00 0.00 178.44 179.39 3h0r h LYS 9 N 1.12 0.04 -0.43 1.13 3.64 -0.70 -2.28 116.57 119.09 3h0r h LYS 9 Ca 0.29 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.65 3h0r h LYS 9 Cb -0.01 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.78 3h0r h LYS 9 CO -0.05 0.47 0.27 0.82 -2.27 0.00 0.00 179.45 178.68 3h0r h ILE 10 N -0.39 1.13 -0.84 2.00 1.08 -1.10 -2.39 117.51 117.01 3h0r h ILE 10 Ca 0.00 -0.29 0.00 0.00 -0.39 0.00 0.00 64.86 64.18 3h0r h ILE 10 Cb 0.46 0.55 -0.04 0.00 -3.07 0.00 0.00 36.82 34.71 3h0r h ILE 10 CO 0.00 0.13 0.53 0.00 -0.69 0.00 0.00 178.15 178.13 3h0r h ALA 11 N 1.13 1.35 -0.67 1.87 0.00 -1.35 -1.03 119.26 120.56 3h0r h ALA 11 Ca 0.16 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 3h0r h ALA 11 Cb -0.01 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.41 3h0r h ALA 11 CO -0.03 0.58 0.23 -0.22 0.00 0.00 0.00 179.25 179.80 3h0r h LYS 12 N 1.15 1.04 -0.04 0.00 3.64 -1.00 0.34 116.57 121.70 3h0r h LYS 12 Ca 0.30 -0.21 -0.05 0.00 -1.27 0.00 0.00 60.65 59.42 3h0r h LYS 12 Cb -0.09 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.57 3h0r h LYS 12 CO -0.06 0.89 -0.20 -0.07 -2.27 0.00 0.00 179.45 177.74 3h0r h LEU 13 N 0.97 0.05 -1.81 5.20 3.38 -0.74 -2.23 115.31 120.13 3h0r h LEU 13 Ca 0.22 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.18 3h0r h LEU 13 Cb 0.27 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.01 3h0r h LEU 13 CO -0.01 0.26 0.00 0.00 0.09 0.00 0.00 178.44 178.78 3h0r n ALA 14 N -2.50 2.47 -3.76 1.53 0.00 -0.68 -4.95 120.51 112.62 3h0r n ALA 14 Ca -0.02 -0.73 -0.34 0.00 0.00 0.00 0.00 53.44 52.35 3h0r n ALA 14 Cb 0.27 -0.92 0.04 0.00 0.00 0.00 0.00 19.45 18.84 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 1.10 -1.18 -4.22 0.00 5.12 0.49 -4.98 116.66 112.99 3h0r n ARG 15 Ca 0.17 0.39 -0.33 0.00 -1.93 0.00 0.00 57.85 56.15 3h0r n ARG 15 Cb 0.53 -3.89 -0.16 0.00 -1.16 0.00 0.00 32.46 27.78 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 -6.66 2.22 -0.83 0.55 1.43 0.89 -5.02 118.68 111.27 3h0r s LEU 16 Ca 0.45 -0.61 -0.18 0.00 -1.03 0.00 0.00 54.13 52.77 3h0r s LEU 16 Cb -0.18 -1.50 0.13 0.00 0.03 0.00 0.00 46.19 44.67 3h0r s LEU 16 CO 0.88 0.02 0.98 -0.70 0.23 0.00 0.00 176.35 177.76 3h0r s GLU 17 N 1.20 3.46 0.25 1.70 2.12 -1.26 -4.17 118.70 122.00 3h0r s GLU 17 Ca 0.02 -1.71 -0.30 0.00 0.36 0.00 0.00 54.97 53.35 3h0r s GLU 17 Cb -0.14 -4.65 -0.09 0.00 0.26 0.00 0.00 34.13 29.51 3h0r s GLU 17 CO -0.09 -1.66 1.20 -0.51 -0.54 0.00 0.00 175.26 173.66 3h0r s LEU 18 N 2.41 4.48 0.50 2.70 1.43 -1.26 -5.02 118.68 123.91 3h0r s LEU 18 Ca 0.26 2.37 -0.20 0.00 -1.03 0.00 0.00 54.13 55.53 3h0r s LEU 18 Cb -0.10 -3.62 -0.08 0.00 0.03 0.00 0.00 46.19 42.42 3h0r s LEU 18 CO -0.05 -0.35 1.05 -0.54 0.23 0.00 0.00 176.35 176.69 3h0r s LYS 19 N -0.99 3.72 0.48 1.70 1.02 -1.26 -4.91 119.74 119.50 3h0r s LYS 19 Ca 0.50 1.38 0.26 0.00 0.02 0.00 0.00 55.97 58.12 3h0r s LYS 19 Cb -0.34 -2.08 1.32 0.00 -0.52 0.00 0.00 37.83 36.20 3h0r s LYS 19 CO 0.42 -0.51 1.85 1.49 -0.92 0.00 0.00 175.35 177.69 3h0r h GLU 20 N 1.43 0.17 -0.42 1.68 4.57 -2.01 -0.32 114.58 119.68 3h0r h GLU 20 Ca -0.49 -0.01 -0.06 0.00 -1.18 0.00 0.00 59.36 57.61 3h0r h GLU 20 Cb 1.22 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 29.76 3h0r h GLU 20 CO 0.59 0.11 0.02 0.93 -1.18 0.00 0.00 179.01 179.48 3h0r h GLU 21 N 0.18 0.73 -0.33 1.92 3.07 -2.02 -3.23 114.58 114.90 3h0r h GLU 21 Ca 0.48 -0.22 -0.10 0.00 -0.50 0.00 0.00 59.36 59.02 3h0r h GLU 21 Cb 1.59 -0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 29.41 3h0r h GLU 21 CO -0.10 0.80 -0.21 0.93 -1.40 0.00 0.00 179.01 179.02 3h0r h GLU 22 N 0.57 0.64 0.26 2.33 5.08 -1.44 -2.99 114.58 119.04 3h0r h GLU 22 Ca 0.12 -0.24 -0.01 0.00 -1.00 0.00 0.00 59.36 58.24 3h0r h GLU 22 Cb 0.45 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.66 3h0r h GLU 22 CO 0.02 0.80 -0.15 0.82 -1.00 0.00 0.00 179.01 179.50 3h0r h ILE 23 N 0.56 0.67 -0.81 3.13 2.04 -1.50 0.29 117.51 121.91 3h0r h ILE 23 Ca 0.08 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.93 3h0r h ILE 23 Cb 0.67 0.67 -0.04 0.00 -0.74 0.00 0.00 36.82 37.39 3h0r h ILE 23 CO 0.05 0.00 0.45 -0.33 0.00 0.00 0.00 178.15 178.32 3h0r h GLU 24 N -0.40 1.12 -0.15 2.37 5.08 -1.61 -0.98 114.58 120.01 3h0r h GLU 24 Ca -0.03 -0.12 -0.19 0.00 -1.00 0.00 0.00 59.36 58.02 3h0r h GLU 24 Cb 0.33 -0.22 0.01 0.00 0.50 0.00 0.00 28.75 29.36 3h0r h GLU 24 CO 0.03 0.82 -0.67 0.28 -1.00 0.00 0.00 179.01 178.47 3h0r h VAL 25 N 1.13 1.30 0.00 3.13 2.07 -1.35 -3.03 116.25 119.51 3h0r h VAL 25 Ca 0.29 -1.89 -0.05 0.00 0.82 0.00 0.00 66.70 65.86 3h0r h VAL 25 Cb 0.02 2.01 -0.01 0.00 -1.52 0.00 0.00 31.29 31.79 3h0r h VAL 25 CO -0.05 0.59 -0.23 -0.26 0.02 0.00 0.00 177.57 177.65 3h0r h PHE 26 N 0.42 0.00 0.04 1.57 0.04 -0.31 -1.86 116.94 116.84 3h0r h PHE 26 Ca -0.04 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.73 3h0r h PHE 26 Cb 1.30 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.45 3h0r h PHE 26 CO 0.09 0.23 -0.02 1.96 -0.60 0.00 0.00 178.31 179.97 3h0r h GLN 27 N 0.00 -0.05 -0.07 1.51 4.20 -1.06 -0.50 115.11 119.14 3h0r h GLN 27 Ca -0.00 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.69 3h0r h GLN 27 Cb 0.86 0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.65 3h0r h GLN 27 CO 0.03 0.07 -0.05 -0.22 -0.67 0.00 0.00 178.83 177.99 3h0r h LYS 28 N -0.15 0.17 -0.53 1.46 3.64 -1.53 -2.77 116.57 116.86 3h0r h LYS 28 Ca -0.00 -0.08 -0.04 0.00 -1.27 0.00 0.00 60.65 59.25 3h0r h LYS 28 Cb 0.14 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.93 3h0r h LYS 28 CO 0.01 0.57 0.18 1.96 -2.27 0.00 0.00 179.45 179.89 3h0r h GLN 29 N -0.23 0.82 -0.03 1.90 4.20 -1.33 -1.56 115.11 118.88 3h0r h GLN 29 Ca 0.01 -0.17 -0.17 0.00 0.06 0.00 0.00 58.65 58.38 3h0r h GLN 29 Cb 0.53 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.18 3h0r h GLN 29 CO 0.01 0.75 -0.75 -0.07 -0.67 0.00 0.00 178.83 178.10 3h0r h LEU 30 N 0.73 0.24 -0.59 1.46 3.38 -1.21 -0.06 115.31 119.25 3h0r h LEU 30 Ca 0.17 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 3h0r h LEU 30 Cb 0.26 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 3h0r h LEU 30 CO -0.01 0.90 0.29 0.28 0.09 0.00 0.00 178.44 179.99 3h0r h SER 31 N 0.12 0.77 0.44 -0.43 0.02 -1.34 -0.47 113.55 112.66 3h0r h SER 31 Ca -0.02 -0.12 -0.02 0.00 -0.84 0.00 0.00 61.79 60.78 3h0r h SER 31 Cb 1.32 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 63.67 3h0r h SER 31 CO 0.11 0.68 -0.21 0.44 -1.14 0.00 0.00 176.83 176.71 3h0r h ASP 32 N 0.80 -0.50 -1.01 3.07 3.32 -1.14 -2.15 116.42 118.81 3h0r h ASP 32 Ca 0.20 -0.07 0.08 0.00 0.02 0.00 0.00 57.03 57.27 3h0r h ASP 32 Cb 0.11 0.13 -0.07 0.00 0.22 0.00 0.00 39.33 39.71 3h0r h ASP 32 CO -0.03 -0.22 0.65 0.40 -1.72 0.00 0.00 179.24 178.32 3h0r h ILE 33 N -0.77 1.04 -0.16 0.35 2.04 -0.98 0.47 117.51 119.50 3h0r h ILE 33 Ca -0.06 -0.39 -0.05 0.00 1.00 0.00 0.00 64.86 65.37 3h0r h ILE 33 Cb 0.54 -0.19 -0.01 0.00 -0.74 0.00 0.00 36.82 36.42 3h0r h ILE 33 CO 0.10 0.21 -0.11 -0.07 0.00 0.00 0.00 178.15 178.27 3h0r h LEU 34 N 1.13 0.23 -0.09 1.44 4.07 -1.07 0.39 115.31 121.41 3h0r h LEU 34 Ca 0.45 -0.04 -0.23 0.00 0.08 0.00 0.00 57.88 58.14 3h0r h LEU 34 Cb 0.27 -0.06 -0.01 0.00 1.08 0.00 0.00 40.66 41.94 3h0r h LEU 34 CO -0.20 0.38 -1.02 0.44 -1.08 0.00 0.00 178.44 176.95 3h0r h ASP 35 N 0.24 0.27 -0.42 -0.43 3.32 -0.14 -3.00 116.42 116.26 3h0r h ASP 35 Ca 0.05 -0.25 -0.10 0.00 0.02 0.00 0.00 57.03 56.75 3h0r h ASP 35 Cb 0.35 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.80 3h0r h ASP 35 CO 0.02 1.13 -0.11 0.15 -1.72 0.00 0.00 179.24 178.70 3h0r h PHE 36 N 0.08 0.92 -0.03 4.55 3.57 0.45 -3.16 116.94 123.32 3h0r h PHE 36 Ca -0.07 -0.20 0.00 0.00 3.53 0.00 0.00 57.97 61.23 3h0r h PHE 36 Cb 1.71 -0.22 0.00 0.00 2.79 0.00 0.00 35.95 40.23 3h0r h PHE 36 CO 0.04 0.94 0.00 0.44 -2.23 0.00 0.00 178.31 177.49 3h0r n ILE 37 N -4.30 0.02 -1.58 1.41 -5.35 0.07 -4.58 119.36 105.05 3h0r n ILE 37 Ca -0.01 -0.22 -0.40 0.00 -0.27 0.00 0.00 62.75 61.85 3h0r n ILE 37 Cb 0.38 0.34 -0.02 0.00 -1.74 0.00 0.00 39.64 38.60 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 0.02 7.75 -0.00 7.28 2.03 -1.13 -4.31 116.55 128.19 3h0r n ASP 38 Ca 0.19 -2.77 0.02 0.00 0.52 0.00 0.00 54.79 52.76 3h0r n ASP 38 Cb 0.31 -1.52 -0.03 0.00 -0.72 0.00 0.00 41.12 39.16 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 3.50 2.80 0.07 -0.67 1.13 -1.26 -4.80 117.38 118.15 3h0r n GLN 39 Ca 0.69 -0.02 0.13 0.00 -1.94 0.00 0.00 57.00 55.86 3h0r n GLN 39 Cb 0.26 -0.93 0.38 0.00 0.11 0.00 0.00 30.24 30.06 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 -1.39 0.64 -0.25 1.08 4.77 -1.26 -3.73 117.00 116.86 3h0r n LEU 40 Ca 0.00 0.45 0.06 0.00 -0.03 0.00 0.00 56.01 56.49 3h0r n LEU 40 Cb 0.11 -0.31 0.18 0.00 -2.33 0.00 0.00 43.42 41.06 3h0r n LEU 40 CO 0.11 -0.11 0.90 0.11 -1.33 0.00 0.00 177.39 177.07 3h0r h LYS 41 N 0.00 0.20 0.00 3.23 1.57 -1.95 -1.65 116.57 117.97 3h0r h LYS 41 Ca 0.00 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 3h0r h LYS 41 Cb 0.69 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.95 3h0r h LYS 41 CO 0.00 0.13 0.36 0.93 -0.57 0.00 0.00 179.45 180.30 3h0r h GLU 42 N 0.20 0.00 -5.64 3.15 5.08 -1.96 -3.41 114.58 112.00 3h0r h GLU 42 Ca 0.42 0.00 -0.67 0.00 -1.00 0.00 0.00 59.36 58.11 3h0r h GLU 42 Cb 0.74 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.92 3h0r h GLU 42 CO -0.56 0.00 -0.48 -0.51 -1.00 0.00 0.00 179.01 176.45 3h0r s LEU 43 N -5.47 4.37 -0.27 1.33 1.43 -0.62 -5.07 118.68 114.38 3h0r s LEU 43 Ca -0.03 0.46 -0.20 0.00 -1.03 0.00 0.00 54.13 53.34 3h0r s LEU 43 Cb 0.07 -2.07 -0.02 0.00 0.03 0.00 0.00 46.19 44.21 3h0r s LEU 43 CO 0.24 0.41 0.60 -0.62 0.23 0.00 0.00 176.35 177.20 3h0r s ASP 44 N -1.01 6.51 0.00 2.29 2.15 -1.26 -4.91 116.67 120.43 3h0r s ASP 44 Ca 0.15 0.56 0.00 0.00 0.43 0.00 0.00 52.55 53.69 3h0r s ASP 44 Cb -0.12 -2.32 0.00 0.00 -0.30 0.00 0.00 42.92 40.18 3h0r s ASP 44 CO 0.04 -0.39 0.11 0.35 -0.17 0.00 0.00 175.17 175.11 3h0r n THR 45 N 5.25 0.00 -1.63 1.71 -2.24 -1.26 -4.87 114.28 111.25 3h0r n THR 45 Ca -0.02 -0.38 -0.57 0.00 -2.27 0.00 0.00 64.05 60.81 3h0r n THR 45 Cb 0.49 1.07 -0.07 0.00 -2.10 0.00 0.00 70.33 69.71 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 -0.55 0.77 -0.89 -0.78 1.02 -1.26 -0.51 120.64 118.43 3h0r n GLU 46 Ca 0.00 0.28 0.00 0.00 -0.02 0.00 0.00 57.16 57.42 3h0r n GLU 46 Cb 0.02 -1.89 0.00 0.00 -0.02 0.00 0.00 31.44 29.55 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 3.27 -2.68 -4.20 1.62 3.02 -1.26 -5.05 115.26 109.98 3h0r n ASN 47 Ca 0.23 0.00 -0.32 0.00 -0.03 0.00 0.00 54.58 54.45 3h0r n ASN 47 Cb 0.12 -0.45 -0.17 0.00 -0.61 0.00 0.00 39.78 38.67 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 2.06 0.06 2.41 1.01 0.33 -5.12 120.40 119.16 3h0r s VAL 48 Ca 0.00 -1.00 -0.30 0.00 0.00 0.00 0.00 61.98 60.67 3h0r s VAL 48 Cb 0.00 -1.79 -0.05 0.00 0.00 0.00 0.00 36.38 34.54 3h0r s VAL 48 CO 0.00 0.56 1.05 -1.61 0.00 0.00 0.00 175.10 175.09 3h0r s GLU 49 N 0.52 4.56 0.46 2.72 0.41 -1.26 -4.99 118.70 121.12 3h0r s GLU 49 Ca -0.15 1.55 -0.23 0.00 -0.41 0.00 0.00 54.97 55.74 3h0r s GLU 49 Cb -0.17 -3.39 -0.10 0.00 -1.78 0.00 0.00 34.13 28.69 3h0r s GLU 49 CO 0.05 -0.02 0.88 -0.35 -0.49 0.00 0.00 175.26 175.32 3h0r n PRO 50 N 3.44 1.07 -1.68 0.39 -0.04 -1.26 -4.84 135.00 132.08 3h0r n PRO 50 Ca 0.05 0.39 -0.44 0.00 -0.04 0.00 0.00 63.50 63.47 3h0r n PRO 50 Cb 0.49 -1.93 -0.03 0.00 -0.04 0.00 0.00 33.50 31.99 3h0r n PRO 50 CO 0.00 0.00 0.00 0.98 -0.04 0.00 0.00 175.50 176.44 3h0r n TYR 51 N -0.83 2.52 -4.14 0.54 9.36 -1.26 -5.03 117.16 118.33 3h0r n TYR 51 Ca 0.11 -0.13 -0.17 0.00 3.32 0.00 0.00 57.90 61.03 3h0r n TYR 51 Cb 0.41 -2.72 -0.12 0.00 -0.63 0.00 0.00 39.34 36.29 3h0r n TYR 51 CO 0.00 0.00 0.00 0.42 0.22 0.00 0.00 176.86 177.50 3h0r s ILE 52 N 3.07 0.95 0.65 2.97 1.01 -1.26 -5.14 121.20 123.45 3h0r s ILE 52 Ca 0.85 -1.25 -0.17 0.00 0.00 0.00 0.00 60.65 60.08 3h0r s ILE 52 Cb -0.53 -0.95 -0.00 0.00 0.01 0.00 0.00 42.46 40.99 3h0r s ILE 52 CO 0.41 -0.28 1.17 0.00 0.00 0.00 0.00 174.94 176.24 3h0r s GLN 53 N -1.71 2.70 0.46 2.79 -2.07 -1.26 -5.03 119.66 115.54 3h0r s GLN 53 Ca -0.04 1.67 -0.20 0.00 -1.82 0.00 0.00 55.36 54.97 3h0r s GLN 53 Cb -0.10 -1.91 -0.10 0.00 -1.09 0.00 0.00 33.01 29.81 3h0r s GLN 53 CO 0.02 -1.38 0.99 -1.21 -1.32 0.00 0.00 175.29 172.38 3h0r s GLU 54 N -3.71 4.03 0.00 9.60 2.02 -1.26 -5.00 118.70 124.38 3h0r s GLU 54 Ca 0.73 1.18 0.00 0.00 0.02 0.00 0.00 54.97 56.91 3h0r s GLU 54 Cb -0.27 -2.14 0.00 0.00 0.10 0.00 0.00 34.13 31.82 3h0r s GLU 54 CO 0.38 -0.22 0.00 1.97 0.02 0.00 0.00 175.26 177.42 3h0r n PHE 55 N -0.90 0.00 0.00 1.61 -1.74 -1.26 -5.06 117.46 110.11 3h0r n PHE 55 Ca 0.08 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.97 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 -0.32 0.00 -4.40 3.97 4.07 -1.26 -4.85 120.64 117.85 3h0r n GLU 56 Ca 0.00 0.00 -0.20 0.00 -0.06 0.00 0.00 57.16 56.90 3h0r n GLU 56 Cb 0.00 0.00 -0.15 0.00 -0.06 0.00 0.00 31.44 31.23 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 0.86 0.15 5.31 2.02 -1.26 -5.11 118.70 120.67 3h0r s GLU 57 Ca 0.00 -0.33 -0.31 0.00 0.02 0.00 0.00 54.97 54.35 3h0r s GLU 57 Cb 0.00 -0.82 -0.10 0.00 0.10 0.00 0.00 34.13 33.31 3h0r s GLU 57 CO 0.00 0.17 1.65 0.99 0.02 0.00 0.00 175.26 178.09 3h0r s THR 58 N -0.04 2.57 -0.16 3.63 2.01 -1.26 -4.94 115.64 117.45 3h0r s THR 58 Ca 0.01 0.32 -0.29 0.00 0.31 0.00 0.00 61.69 62.03 3h0r s THR 58 Cb -0.06 -3.20 -0.04 0.00 0.01 0.00 0.00 72.50 69.21 3h0r s THR 58 CO -0.00 0.02 1.64 -2.84 -0.69 0.00 0.00 174.62 172.75 3h0r s PRO 59 N 1.66 3.91 0.23 4.92 0.02 -1.26 -5.02 135.00 139.46 3h0r s PRO 59 Ca 0.73 1.85 0.03 0.00 0.02 0.00 0.00 61.00 63.64 3h0r s PRO 59 Cb -0.44 -4.02 -0.05 0.00 0.02 0.00 0.00 34.50 30.00 3h0r s PRO 59 CO 0.32 -1.16 -0.00 -1.64 -0.33 0.00 0.00 177.00 174.19 3h0r s MET 60 N 4.49 1.32 0.02 5.54 -1.94 -1.26 -5.15 119.30 122.31 3h0r s MET 60 Ca 0.73 -1.66 0.09 0.00 -1.71 0.00 0.00 55.69 53.13 3h0r s MET 60 Cb -0.28 -0.59 -0.02 0.00 2.01 0.00 0.00 34.83 35.94 3h0r s MET 60 CO 0.29 -0.10 -0.26 0.50 -0.01 0.00 0.00 175.02 175.44 3h0r s ARG 61 N -3.87 1.91 0.58 2.03 3.52 -1.26 -5.12 118.95 116.75 3h0r s ARG 61 Ca 0.28 -1.02 -0.19 0.00 -0.13 0.00 0.00 55.73 54.67 3h0r s ARG 61 Cb 0.06 -1.98 -0.04 0.00 -1.56 0.00 0.00 34.95 31.43 3h0r s ARG 61 CO 0.08 0.53 1.24 -1.21 -0.81 0.00 0.00 175.30 175.12 3h0r s GLU 62 N -0.95 3.01 -1.37 5.12 0.41 -1.26 -4.91 118.70 118.75 3h0r s GLU 62 Ca 0.11 1.91 -0.11 0.00 -0.41 0.00 0.00 54.97 56.47 3h0r s GLU 62 Cb -0.10 -2.00 -0.06 0.00 -1.78 0.00 0.00 34.13 30.19 3h0r s GLU 62 CO 0.01 -1.20 2.54 -3.47 -0.49 0.00 0.00 175.26 172.64 3h0r n ASP 63 N -1.46 6.37 -4.14 -0.19 2.03 -1.26 -4.89 116.55 113.01 3h0r n ASP 63 Ca 0.13 -2.58 -0.31 0.00 0.52 0.00 0.00 54.79 52.55 3h0r n ASP 63 Cb 0.49 -1.44 -0.17 0.00 -0.72 0.00 0.00 41.12 39.28 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 2.90 2.68 0.49 -0.67 2.02 -1.26 -5.12 118.70 119.74 3h0r s GLU 64 Ca 0.57 -0.74 -0.21 0.00 0.02 0.00 0.00 54.97 54.61 3h0r s GLU 64 Cb 0.15 -2.15 -0.10 0.00 0.10 0.00 0.00 34.13 32.14 3h0r s GLU 64 CO -0.05 0.03 0.78 -2.30 0.02 0.00 0.00 175.26 173.75 3h0r n PRO 65 N 3.93 0.90 -4.51 0.39 -0.02 -1.26 -5.03 135.00 129.39 3h0r n PRO 65 Ca -0.20 0.33 -0.23 0.00 -2.02 0.00 0.00 63.50 61.39 3h0r n PRO 65 Cb 0.52 -1.86 -0.16 0.00 -0.02 0.00 0.00 33.50 31.98 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 -1.46 1.24 -0.48 6.00 3.76 -1.26 -5.09 115.29 117.99 3h0r s HIS 66 Ca 0.67 -0.38 -0.44 0.00 -0.15 0.00 0.00 55.06 54.75 3h0r s HIS 66 Cb -0.52 -0.90 -0.19 0.00 1.11 0.00 0.00 32.58 32.09 3h0r s HIS 66 CO 0.55 -0.19 1.93 -2.30 -0.85 0.00 0.00 174.74 173.88 3h0r n PRO 67 N 3.55 0.13 -1.20 8.40 -0.02 -1.26 -4.90 135.00 139.70 3h0r n PRO 67 Ca -0.21 0.04 -0.30 0.00 -2.02 0.00 0.00 63.50 61.01 3h0r n PRO 67 Cb 0.53 -1.59 0.12 0.00 -0.02 0.00 0.00 33.50 32.53 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 4.87 3.92 0.20 2.55 0.01 -1.26 -4.97 113.70 119.02 3h0r s SER 68 Ca 1.13 1.68 -0.30 0.00 1.31 0.00 0.00 55.95 59.77 3h0r s SER 68 Cb -1.44 -2.36 -0.09 0.00 0.21 0.00 0.00 66.02 62.34 3h0r s SER 68 CO 0.71 -2.39 1.43 -0.22 0.41 0.00 0.00 173.24 173.19 3h0r s LEU 69 N -6.11 4.39 0.28 2.44 2.96 -1.26 -4.95 118.68 116.43 3h0r s LEU 69 Ca 0.62 2.56 -0.30 0.00 -0.22 0.00 0.00 54.13 56.79 3h0r s LEU 69 Cb -0.18 -3.61 -0.11 0.00 0.50 0.00 0.00 46.19 42.79 3h0r s LEU 69 CO 0.57 -0.69 1.56 -0.62 -1.32 0.00 0.00 176.35 175.85 3h0r s ASP 70 N 0.62 6.44 0.48 3.68 2.15 -1.26 -4.77 116.67 124.01 3h0r s ASP 70 Ca 0.62 2.88 0.13 0.00 0.43 0.00 0.00 52.55 56.61 3h0r s ASP 70 Cb -0.41 -2.63 1.11 0.00 -0.30 0.00 0.00 42.92 40.70 3h0r s ASP 70 CO 0.38 -0.86 2.11 -0.09 -0.17 0.00 0.00 175.17 176.53 3h0r h ARG 71 N 4.95 0.22 -0.72 4.34 2.43 -1.99 -1.04 114.38 122.57 3h0r h ARG 71 Ca -0.47 -0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 58.63 3h0r h ARG 71 Cb 1.22 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 30.69 3h0r h ARG 71 CO 0.79 0.14 0.21 1.49 -1.51 0.00 0.00 179.97 181.09 3h0r h GLU 72 N 0.22 1.13 0.00 0.20 4.81 -1.98 -0.66 114.58 118.31 3h0r h GLU 72 Ca 0.07 -0.25 -0.06 0.00 -0.13 0.00 0.00 59.36 58.99 3h0r h GLU 72 Cb 0.03 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.24 3h0r h GLU 72 CO -0.01 0.98 -0.30 0.87 -0.73 0.00 0.00 179.01 179.82 3h0r h LYS 73 N 1.07 0.00 0.04 1.92 1.57 -1.58 0.44 116.57 120.03 3h0r h LYS 73 Ca 0.23 0.00 -0.23 0.00 -1.87 0.00 0.00 60.65 58.78 3h0r h LYS 73 Cb 0.33 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.63 3h0r h LYS 73 CO -0.00 0.30 -1.05 0.00 -0.57 0.00 0.00 179.45 178.13 3h0r h ALA 74 N 1.70 0.31 0.00 3.86 0.00 -0.85 -3.34 119.26 120.94 3h0r h ALA 74 Ca -0.00 -0.86 -0.03 0.00 0.00 0.00 0.00 54.91 54.02 3h0r h ALA 74 Cb 0.84 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.53 3h0r h ALA 74 CO 0.04 1.10 -1.76 1.28 0.00 0.00 0.00 179.25 179.91 3h0r n LEU 75 N -3.47 0.24 -0.15 0.00 7.99 -0.30 -4.61 117.00 116.69 3h0r n LEU 75 Ca -0.03 0.09 0.29 0.00 -0.01 0.00 0.00 56.01 56.35 3h0r n LEU 75 Cb 0.94 0.01 0.71 0.00 -0.11 0.00 0.00 43.42 44.97 3h0r n LEU 75 CO 0.49 -0.02 1.26 0.00 -1.51 0.00 0.00 177.39 177.62 3h0r h MET 76 N 0.00 0.00 0.00 3.23 -0.00 -0.25 0.22 114.93 118.14 3h0r h MET 76 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.67 3h0r h MET 76 Cb 1.09 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.69 3h0r h MET 76 CO 0.00 0.00 -0.72 0.09 -0.00 0.00 0.00 176.91 176.28 3h0r n ASN 77 N -3.97 0.61 -4.64 -0.10 3.02 -1.26 -4.97 115.26 103.95 3h0r n ASN 77 Ca 0.18 -0.20 -0.47 0.00 -0.03 0.00 0.00 54.58 54.06 3h0r n ASN 77 Cb 1.02 0.45 -0.04 0.00 -0.61 0.00 0.00 39.78 40.59 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 -1.67 0.63 -0.33 5.41 0.00 0.06 -4.92 120.51 119.70 3h0r n ALA 78 Ca 0.04 0.46 0.13 0.00 0.00 0.00 0.00 53.44 54.06 3h0r n ALA 78 Cb 0.39 -2.25 0.31 0.00 0.00 0.00 0.00 19.45 17.91 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 5.03 0.57 -2.78 0.00 0.11 -1.92 -3.40 132.00 129.61 3h0r h PRO 79 Ca -0.45 -0.03 -0.18 0.00 0.11 0.00 0.00 66.00 65.44 3h0r h PRO 79 Cb 1.28 -0.13 -0.31 0.00 0.11 0.00 0.00 31.00 31.96 3h0r h PRO 79 CO 0.82 0.38 -0.48 -2.00 -0.21 0.00 0.00 178.00 176.51 3h0r s GLU 80 N -5.87 0.20 0.23 1.05 2.12 -1.26 -5.08 118.70 110.09 3h0r s GLU 80 Ca -0.11 0.80 0.08 0.00 0.36 0.00 0.00 54.97 56.10 3h0r s GLU 80 Cb 0.25 0.05 -0.04 0.00 0.26 0.00 0.00 34.13 34.65 3h0r s GLU 80 CO 0.79 -0.26 0.06 -0.98 -0.54 0.00 0.00 175.26 174.33 3h0r s ARG 81 N 2.33 2.54 -0.25 4.30 1.70 -1.26 0.44 118.95 128.75 3h0r s ARG 81 Ca -0.01 -1.20 -0.11 0.00 -0.47 0.00 0.00 55.73 53.94 3h0r s ARG 81 Cb -0.12 -2.36 0.09 0.00 -0.57 0.00 0.00 34.95 32.00 3h0r s ARG 81 CO -0.10 0.41 0.56 0.21 -1.08 0.00 0.00 175.30 175.30 3h0r s LYS 82 N -3.51 0.52 -1.26 3.89 2.20 -0.39 -4.86 119.74 116.33 3h0r s LYS 82 Ca 0.31 1.17 0.00 0.00 -0.36 0.00 0.00 55.97 57.08 3h0r s LYS 82 Cb -0.08 0.36 0.00 0.00 -1.51 0.00 0.00 37.83 36.61 3h0r s LYS 82 CO 0.21 -0.19 0.00 -0.25 -0.36 0.00 0.00 175.35 174.76 3h0r n ASP 83 N 4.87 -4.16 0.00 1.43 8.00 -1.26 -0.64 116.55 124.80 3h0r n ASP 83 Ca -0.16 0.20 0.00 0.00 0.71 0.00 0.00 54.79 55.54 3h0r n ASP 83 Cb 0.53 -3.58 0.00 0.00 -0.02 0.00 0.00 41.12 38.05 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 -0.72 0.76 3.65 0.44 0.00 -1.26 -5.08 105.19 102.98 3h0r n GLY 84 Ca -0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.11 2.95 0.20 1.61 0.08 0.19 -5.09 117.98 115.80 3h0r s PHE 85 Ca 0.00 -0.02 -0.30 0.00 0.12 0.00 0.00 56.93 56.73 3h0r s PHE 85 Cb 0.00 -1.58 -0.08 0.00 -0.57 0.00 0.00 43.02 40.79 3h0r s PHE 85 CO 0.00 0.44 1.18 -0.06 -0.10 0.00 0.00 175.22 176.68 3h0r s PHE 86 N -1.16 3.45 -0.22 0.36 0.08 -1.26 -1.26 117.98 117.97 3h0r s PHE 86 Ca 0.21 1.48 -0.05 0.00 0.12 0.00 0.00 56.93 58.69 3h0r s PHE 86 Cb -0.11 -3.40 -0.02 0.00 -0.57 0.00 0.00 43.02 38.91 3h0r s PHE 86 CO 0.13 -1.08 0.01 0.08 -0.10 0.00 0.00 175.22 174.26 3h0r s VAL 87 N -0.23 3.89 0.23 -0.44 1.01 0.17 -4.87 120.40 120.16 3h0r s VAL 87 Ca 0.51 -0.32 0.01 0.00 0.00 0.00 0.00 61.98 62.18 3h0r s VAL 87 Cb -0.32 -2.78 -0.05 0.00 0.00 0.00 0.00 36.38 33.23 3h0r s VAL 87 CO 0.37 0.40 0.07 0.68 0.00 0.00 0.00 175.10 176.62 3h0r s VAL 88 N 1.28 0.57 0.56 2.92 -7.23 -1.26 -4.32 120.40 112.92 3h0r s VAL 88 Ca 0.04 -1.99 -0.20 0.00 -1.81 0.00 0.00 61.98 58.01 3h0r s VAL 88 Cb -0.15 -2.47 -0.05 0.00 0.56 0.00 0.00 36.38 34.28 3h0r s VAL 88 CO 0.01 -0.15 1.12 -0.81 -0.31 0.00 0.00 175.10 174.96 3h0r n PRO 89 N -0.38 1.23 -1.95 4.82 -0.04 -1.26 -4.90 135.00 132.51 3h0r n PRO 89 Ca -0.02 0.46 -0.39 0.00 -0.04 0.00 0.00 63.50 63.51 3h0r n PRO 89 Cb 0.65 -2.31 0.01 0.00 -0.04 0.00 0.00 33.50 31.82 3h0r n PRO 89 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 3h0r s ARG 90 N -2.74 3.71 0.15 0.54 3.52 -1.26 -5.03 118.95 117.84 3h0r s ARG 90 Ca 0.73 2.21 0.06 0.00 -0.13 0.00 0.00 55.73 58.61 3h0r s ARG 90 Cb -0.43 -2.60 -0.04 0.00 -1.56 0.00 0.00 34.95 30.32 3h0r s ARG 90 CO 0.49 -0.72 0.01 0.14 -0.81 0.00 0.00 175.30 174.40 3h0r s VAL 91 N -1.28 3.86 -0.22 7.11 -7.23 -1.26 -5.34 120.40 116.04 3h0r s VAL 91 Ca 0.61 -1.27 0.02 0.00 -1.81 0.00 0.00 61.98 59.54 3h0r s VAL 91 Cb -0.39 -2.91 0.01 0.00 0.56 0.00 0.00 36.38 33.65 3h0r s VAL 91 CO 0.49 -0.04 0.55 1.33 -0.31 0.00 0.00 175.10 177.13