#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yua s SER 2 N 0.00 3.52 -0.19 1.61 1.04 -1.26 -5.12 113.70 113.30 2yua s SER 2 Ca 0.00 -0.35 -0.19 0.00 0.48 0.00 0.00 55.95 55.88 2yua s SER 2 Cb 0.00 -0.72 0.05 0.00 0.10 0.00 0.00 66.02 65.45 2yua s SER 2 CO 0.00 0.31 0.55 -0.55 0.98 0.00 0.00 173.24 174.52 2yua s SER 3 N -0.52 -0.56 0.00 7.02 0.15 -1.26 -5.00 113.70 113.53 2yua s SER 3 Ca 0.07 1.05 0.00 0.00 0.70 0.00 0.00 55.95 57.77 2yua s SER 3 Cb -0.11 1.07 0.00 0.00 -1.71 0.00 0.00 66.02 65.27 2yua s SER 3 CO 0.01 -0.22 0.00 0.61 1.20 0.00 0.00 173.24 174.84 2yua n GLY 4 N 2.66 2.22 3.48 9.45 0.00 -1.26 -5.14 105.19 116.61 2yua n GLY 4 Ca -0.14 -0.22 -0.43 0.00 0.00 0.00 0.00 46.02 45.23 2yua n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2yua n SER 5 N 0.00 -0.34 -3.75 1.61 2.88 -1.26 -5.00 113.62 107.76 2yua n SER 5 Ca 0.00 1.00 -0.13 0.00 -1.33 0.00 0.00 58.87 58.41 2yua n SER 5 Cb 0.00 -1.14 -0.11 0.00 -0.75 0.00 0.00 64.21 62.21 2yua n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2yua s SER 6 N -0.86 -0.36 0.00 -3.46 0.15 -1.26 -5.15 113.70 102.76 2yua s SER 6 Ca 0.62 0.68 0.00 0.00 0.70 0.00 0.00 55.95 57.95 2yua s SER 6 Cb -0.66 0.67 0.00 0.00 -1.71 0.00 0.00 66.02 64.32 2yua s SER 6 CO 0.58 -0.13 0.00 0.61 1.20 0.00 0.00 173.24 175.51 2yua n GLY 7 N 3.12 2.58 2.76 9.45 0.00 -1.26 -5.15 105.19 116.69 2yua n GLY 7 Ca -0.15 -0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.68 2yua n GLY 7 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2yua s SER 8 N 0.00 1.34 -0.05 1.61 1.04 -1.26 -5.13 113.70 111.25 2yua s SER 8 Ca 0.00 -0.10 0.01 0.00 0.48 0.00 0.00 55.95 56.34 2yua s SER 8 Cb 0.00 0.23 0.02 0.00 0.10 0.00 0.00 66.02 66.38 2yua s SER 8 CO 0.00 -0.30 -0.05 -1.58 0.98 0.00 0.00 173.24 172.28 2yua s GLN 9 N 2.28 0.95 0.39 4.02 2.00 -1.26 -5.13 119.66 122.91 2yua s GLN 9 Ca 0.05 -0.14 -0.27 0.00 -2.00 0.00 0.00 55.36 53.00 2yua s GLN 9 Cb -0.15 -0.93 -0.09 0.00 0.80 0.00 0.00 33.01 32.64 2yua s GLN 9 CO -0.09 -0.08 1.34 0.20 -0.50 0.00 0.00 175.29 176.16 2yua s GLY 10 N 0.93 2.95 -0.20 2.59 0.00 -1.26 -5.01 107.32 107.32 2yua s GLY 10 Ca -0.11 1.31 -0.05 0.00 0.00 0.00 0.00 44.72 45.87 2yua s GLY 10 CO 0.00 1.93 0.01 0.51 0.00 0.00 0.00 173.10 175.55 2yua s ASP 11 N -0.57 4.90 -0.43 1.64 -4.77 -1.26 -4.99 116.67 111.20 2yua s ASP 11 Ca 0.54 -0.19 0.04 0.00 -3.30 0.00 0.00 52.55 49.65 2yua s ASP 11 Cb -0.40 -1.84 0.50 0.00 -1.09 0.00 0.00 42.92 40.09 2yua s ASP 11 CO 0.53 0.06 1.64 0.00 0.70 0.00 0.00 175.17 178.10 2yua s SER 13 N -2.39 3.91 1.14 0.00 0.15 -1.26 -5.14 113.70 110.11 2yua s SER 13 Ca 0.54 -1.72 -0.13 0.00 0.70 0.00 0.00 55.95 55.35 2yua s SER 13 Cb 0.45 0.68 0.27 0.00 -1.71 0.00 0.00 66.02 65.71 2yua s SER 13 CO 0.02 -0.94 1.04 -0.72 1.20 0.00 0.00 173.24 173.83 2yua s TYR 14 N -2.96 1.44 -0.53 3.44 -0.85 -1.26 -4.90 117.35 111.74 2yua s TYR 14 Ca 0.05 1.16 -0.03 0.00 -0.52 0.00 0.00 57.07 57.74 2yua s TYR 14 Cb 0.00 -3.12 0.20 0.00 0.38 0.00 0.00 41.96 39.42 2yua s TYR 14 CO 0.03 -3.75 2.36 0.43 -1.52 0.00 0.00 175.55 173.11 2yua n SER 15 N -4.83 6.84 -0.11 -0.18 7.64 -1.26 -4.41 113.62 117.31 2yua n SER 15 Ca 0.03 -3.37 -0.22 0.00 1.01 0.00 0.00 58.87 56.32 2yua n SER 15 Cb 0.55 -1.13 -0.09 0.00 -1.01 0.00 0.00 64.21 62.53 2yua n SER 15 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2yua n ARG 16 N 0.25 0.56 0.00 1.43 3.00 -1.26 -4.30 116.66 116.34 2yua n ARG 16 Ca 0.47 0.41 0.10 0.00 -0.01 0.00 0.00 57.85 58.83 2yua n ARG 16 Cb 0.51 -1.61 0.45 0.00 0.00 0.00 0.00 32.46 31.81 2yua n ARG 16 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.63 180.04 2yua n THR 17 N -4.38 0.57 0.19 0.55 -1.04 -1.26 -3.51 114.28 105.40 2yua n THR 17 Ca -0.37 0.14 -0.15 0.00 -2.04 0.00 0.00 64.05 61.63 2yua n THR 17 Cb 0.71 -0.79 -0.08 0.00 -1.82 0.00 0.00 70.33 68.35 2yua n THR 17 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2yua h ALA 18 N 2.71 -0.43 -0.08 2.41 0.00 -1.83 -1.92 119.26 120.11 2yua h ALA 18 Ca 0.00 -0.12 0.02 0.00 0.00 0.00 0.00 54.91 54.82 2yua h ALA 18 Cb 0.36 0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 2yua h ALA 18 CO 0.00 -0.71 0.35 -0.07 0.00 0.00 0.00 179.25 178.82 2yua h LEU 19 N -0.50 0.00 0.00 0.00 3.38 -1.78 0.73 115.31 117.14 2yua h LEU 19 Ca -0.04 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 2yua h LEU 19 Cb 0.37 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.12 2yua h LEU 19 CO 0.07 0.00 -0.94 1.88 0.09 0.00 0.00 178.44 179.54 2yua h TYR 20 N 0.00 0.00 0.00 1.13 -1.99 -1.56 -3.34 116.97 111.21 2yua h TYR 20 Ca 0.04 0.00 -0.23 0.00 2.00 0.00 0.00 58.73 60.54 2yua h TYR 20 Cb 0.73 0.00 -0.04 0.00 2.00 0.00 0.00 36.73 39.42 2yua h TYR 20 CO 0.00 0.10 -1.28 0.22 -0.00 0.00 0.00 178.16 177.20 2yua h ASP 21 N 0.00 0.00 0.04 3.88 3.58 0.11 -1.46 116.42 122.57 2yua h ASP 21 Ca -0.02 0.00 -0.06 0.00 0.42 0.00 0.00 57.03 57.37 2yua h ASP 21 Cb 1.10 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.13 2yua h ASP 21 CO 0.01 0.91 -0.16 -0.07 -2.88 0.00 0.00 179.24 177.05 2yua h LEU 22 N 0.00 0.24 0.00 2.28 4.07 -1.38 -2.54 115.31 117.98 2yua h LEU 22 Ca -0.13 -0.05 0.00 0.00 0.08 0.00 0.00 57.88 57.77 2yua h LEU 22 Cb 1.81 -0.06 0.00 0.00 1.08 0.00 0.00 40.66 43.49 2yua h LEU 22 CO 0.10 0.42 -1.12 0.18 -1.08 0.00 0.00 178.44 176.93 2yua n LEU 23 N -4.24 0.63 0.00 1.67 4.32 -1.25 -4.96 117.00 113.17 2yua n LEU 23 Ca -0.01 -0.16 0.00 0.00 -0.02 0.00 0.00 56.01 55.82 2yua n LEU 23 Cb 0.29 -0.06 0.00 0.00 -1.62 0.00 0.00 43.42 42.03 2yua n LEU 23 CO 0.38 0.11 0.00 0.61 -1.22 0.00 0.00 177.39 177.27 2yua n GLY 24 N 1.40 0.69 3.87 -0.72 0.00 -0.96 -4.78 105.19 104.70 2yua n GLY 24 Ca 0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.70 2yua n GLY 24 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2yua s VAL 25 N -2.62 5.07 0.91 1.61 -7.23 -0.58 -4.98 120.40 112.58 2yua s VAL 25 Ca 0.00 0.39 -0.12 0.00 -1.81 0.00 0.00 61.98 60.45 2yua s VAL 25 Cb 0.00 -3.64 0.14 0.00 0.56 0.00 0.00 36.38 33.43 2yua s VAL 25 CO 0.00 0.18 1.09 -2.16 -0.31 0.00 0.00 175.10 173.90 2yua s PRO 26 N -2.20 1.15 0.16 4.82 0.04 -1.26 -4.33 135.00 133.38 2yua s PRO 26 Ca 0.37 0.78 0.20 0.00 0.04 0.00 0.00 61.00 62.40 2yua s PRO 26 Cb -0.13 -1.80 0.85 0.00 0.04 0.00 0.00 34.50 33.46 2yua s PRO 26 CO 0.20 -2.30 1.63 0.43 0.04 0.00 0.00 177.00 176.99 2yua n SER 27 N -3.92 0.43 -0.82 6.66 7.64 -1.26 -2.05 113.62 120.29 2yua n SER 27 Ca 0.07 0.60 0.08 0.00 1.01 0.00 0.00 58.87 60.64 2yua n SER 27 Cb 0.55 -0.70 0.24 0.00 -1.01 0.00 0.00 64.21 63.30 2yua n SER 27 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 2yua n THR 28 N -1.97 2.13 -0.71 0.44 -2.24 -1.26 -5.03 114.28 105.64 2yua n THR 28 Ca 0.03 -1.80 -0.31 0.00 -2.27 0.00 0.00 64.05 59.70 2yua n THR 28 Cb 0.21 -0.17 0.27 0.00 -2.10 0.00 0.00 70.33 68.54 2yua n THR 28 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2yua s ALA 29 N -2.63 -0.11 0.26 6.98 0.00 -0.87 -5.07 121.76 120.32 2yua s ALA 29 Ca 0.39 -0.98 0.06 0.00 0.00 0.00 0.00 51.96 51.44 2yua s ALA 29 Cb 0.31 -2.87 -0.06 0.00 0.00 0.00 0.00 23.12 20.50 2yua s ALA 29 CO 0.09 -4.21 -0.06 -0.08 0.00 0.00 0.00 175.76 171.50 2yua s THR 30 N -2.63 1.56 0.32 0.00 -1.32 -1.26 -4.96 115.64 107.35 2yua s THR 30 Ca 0.70 -2.12 0.09 0.00 -1.21 0.00 0.00 61.69 59.15 2yua s THR 30 Cb -0.10 -2.39 0.33 0.00 -1.51 0.00 0.00 72.50 68.83 2yua s THR 30 CO 0.56 -0.33 1.64 1.56 -2.21 0.00 0.00 174.62 175.84 2yua h GLN 31 N 2.33 0.19 -0.83 7.08 4.20 -1.97 0.64 115.11 126.76 2yua h GLN 31 Ca -0.39 -0.01 0.07 0.00 0.06 0.00 0.00 58.65 58.38 2yua h GLN 31 Cb 1.23 -0.04 -0.06 0.00 0.30 0.00 0.00 27.48 28.90 2yua h GLN 31 CO 0.66 0.13 0.49 0.00 -0.67 0.00 0.00 178.83 179.45 2yua h ALA 32 N 1.86 1.15 0.08 3.87 0.00 -1.99 -1.12 119.26 123.11 2yua h ALA 32 Ca 0.66 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.57 2yua h ALA 32 Cb 1.47 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.07 2yua h ALA 32 CO -0.68 0.19 -0.04 1.96 0.00 0.00 0.00 179.25 180.67 2yua h GLN 33 N 0.87 -0.11 -1.25 0.00 4.20 -0.20 -1.19 115.11 117.43 2yua h GLN 33 Ca 0.38 0.01 0.36 0.00 0.06 0.00 0.00 58.65 59.46 2yua h GLN 33 Cb 0.25 0.02 -0.05 0.00 0.30 0.00 0.00 27.48 28.00 2yua h GLN 33 CO -0.20 -0.07 1.20 0.82 -0.67 0.00 0.00 178.83 179.90 2yua h ILE 34 N -0.43 0.05 0.00 2.54 2.04 -1.06 0.28 117.51 120.93 2yua h ILE 34 Ca -0.01 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.85 2yua h ILE 34 Cb 0.08 0.08 0.00 0.00 -0.74 0.00 0.00 36.82 36.25 2yua h ILE 34 CO 0.02 0.00 -0.18 0.50 0.00 0.00 0.00 178.15 178.49 2yua h LYS 35 N 0.00 0.00 -1.25 2.37 3.11 -1.26 -3.25 116.57 116.29 2yua h LYS 35 Ca 0.60 0.00 0.41 0.00 -2.81 0.00 0.00 60.65 58.85 2yua h LYS 35 Cb 2.98 0.00 -0.13 0.00 -1.00 0.00 0.00 32.23 34.08 2yua h LYS 35 CO -0.01 0.00 0.79 0.00 -2.81 0.00 0.00 179.45 177.43 2yua h ALA 36 N -1.44 2.60 0.40 5.00 0.00 0.10 -0.98 119.26 124.94 2yua h ALA 36 Ca 0.00 0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 2yua h ALA 36 Cb 0.18 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.17 2yua h ALA 36 CO 0.00 -1.22 -0.19 0.00 0.00 0.00 0.00 179.25 177.84 2yua h ALA 37 N 1.65 -0.92 -1.27 0.00 0.00 -1.17 -2.86 119.26 114.69 2yua h ALA 37 Ca 0.80 -0.12 0.45 0.00 0.00 0.00 0.00 54.91 56.04 2yua h ALA 37 Cb 2.40 0.21 -0.14 0.00 0.00 0.00 0.00 17.79 20.25 2yua h ALA 37 CO -0.45 -0.88 0.80 0.98 0.00 0.00 0.00 179.25 179.70 2yua n TYR 38 N -3.77 0.76 -0.17 0.00 9.36 -0.41 0.19 117.16 123.12 2yua n TYR 38 Ca -0.07 0.77 -0.09 0.00 3.32 0.00 0.00 57.90 61.82 2yua n TYR 38 Cb 0.21 -1.19 0.00 0.00 -0.63 0.00 0.00 39.34 37.73 2yua n TYR 38 CO 0.00 0.00 0.00 1.88 0.22 0.00 0.00 176.86 178.96 2yua h TYR 39 N 0.00 0.86 -0.38 2.98 -1.99 -1.36 -3.05 116.97 114.04 2yua h TYR 39 Ca 0.85 -0.12 0.00 0.00 2.00 0.00 0.00 58.73 61.45 2yua h TYR 39 Cb 2.65 -0.23 -0.02 0.00 2.00 0.00 0.00 36.73 41.13 2yua h TYR 39 CO -0.01 0.80 0.24 0.00 -0.00 0.00 0.00 178.16 179.19 2yua h ARG 40 N 0.67 0.51 -0.06 4.88 3.08 0.23 -2.87 114.38 120.82 2yua h ARG 40 Ca 0.14 -0.04 0.02 0.00 0.07 0.00 0.00 59.98 60.17 2yua h ARG 40 Cb 0.41 -0.11 -0.04 0.00 0.08 0.00 0.00 29.97 30.31 2yua h ARG 40 CO 0.01 0.36 -0.35 1.96 -1.07 0.00 0.00 179.97 180.89 2yua h GLN 41 N 0.51 -0.38 -0.62 0.04 7.50 -1.32 0.34 115.11 121.18 2yua h GLN 41 Ca 0.14 0.03 0.09 0.00 0.50 0.00 0.00 58.65 59.40 2yua h GLN 41 Cb -0.02 0.09 -0.11 0.00 0.05 0.00 0.00 27.48 27.48 2yua h GLN 41 CO -0.03 -0.25 -0.47 0.00 -1.50 0.00 0.00 178.83 176.58 2yua h PHE 43 N -0.22 0.71 0.00 0.00 3.04 -1.22 0.25 116.94 119.50 2yua h PHE 43 Ca 0.17 0.02 -0.09 0.00 3.98 0.00 0.00 57.97 62.05 2yua h PHE 43 Cb 0.55 -0.23 -0.01 0.00 2.56 0.00 0.00 35.95 38.82 2yua h PHE 43 CO -0.76 0.34 -0.43 -0.07 -2.02 0.00 0.00 178.31 175.37 2yua h LEU 44 N 0.67 0.00 -3.80 0.59 3.38 0.38 -3.14 115.31 113.39 2yua h LEU 44 Ca 0.35 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.78 2yua h LEU 44 Cb 0.46 0.00 -0.43 0.00 0.09 0.00 0.00 40.66 40.78 2yua h LEU 44 CO -0.13 0.43 -0.83 -1.22 0.09 0.00 0.00 178.44 176.78 2yua n TYR 45 N -3.85 2.70 -1.15 1.13 4.02 0.62 -5.07 117.16 115.57 2yua n TYR 45 Ca -0.01 -2.22 -0.37 0.00 -0.01 0.00 0.00 57.90 55.29 2yua n TYR 45 Cb 0.48 -0.34 0.04 0.00 -0.02 0.00 0.00 39.34 39.50 2yua n TYR 45 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 176.86 176.57 2yua n HIS 46 N -0.71 -3.20 0.23 -0.72 8.25 0.67 -4.71 115.22 115.03 2yua n HIS 46 Ca 0.43 0.25 0.10 0.00 -0.26 0.00 0.00 57.72 58.24 2yua n HIS 46 Cb 0.96 -1.65 0.51 0.00 1.12 0.00 0.00 29.99 30.93 2yua n HIS 46 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 2yua h PRO 47 N -0.49 0.00 -0.08 -0.41 0.13 -1.90 -2.92 132.00 126.34 2yua h PRO 47 Ca -0.43 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 64.72 2yua h PRO 47 Cb 1.37 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.50 2yua h PRO 47 CO 0.35 0.23 0.26 -0.44 -0.23 0.00 0.00 178.00 178.16 2yua h ASP 48 N 0.00 0.00 0.00 1.44 5.19 -1.97 0.70 116.42 121.78 2yua h ASP 48 Ca -0.00 0.00 -0.36 0.00 -0.62 0.00 0.00 57.03 56.05 2yua h ASP 48 Cb 0.66 0.00 -0.06 0.00 0.18 0.00 0.00 39.33 40.11 2yua h ASP 48 CO 0.03 0.00 -2.26 0.54 -3.12 0.00 0.00 179.24 174.43 2yua n ARG 49 N -3.18 0.51 -1.19 3.56 1.74 -1.11 -4.53 116.66 112.46 2yua n ARG 49 Ca -0.01 0.18 -0.27 0.00 -0.77 0.00 0.00 57.85 56.98 2yua n ARG 49 Cb 0.33 -1.37 0.12 0.00 -1.02 0.00 0.00 32.46 30.52 2yua n ARG 49 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 2yua n ASN 50 N -3.63 5.62 -0.32 0.55 0.23 -0.98 -4.69 115.26 112.04 2yua n ASN 50 Ca -0.42 -3.57 0.16 0.00 -0.53 0.00 0.00 54.58 50.22 2yua n ASN 50 Cb 0.86 -0.90 0.32 0.00 -2.08 0.00 0.00 39.78 37.98 2yua n ASN 50 CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 2yua h SER 51 N 1.42 -0.25 -0.17 0.53 0.02 0.18 -3.12 113.55 112.15 2yua h SER 51 Ca 0.57 0.25 -0.19 0.00 -0.84 0.00 0.00 61.79 61.58 2yua h SER 51 Cb 1.76 0.40 -0.29 0.00 0.14 0.00 0.00 62.40 64.41 2yua h SER 51 CO 1.24 -0.31 -0.74 0.61 -1.14 0.00 0.00 176.83 176.49 2yua n GLY 52 N -1.43 1.57 3.91 -3.77 0.00 -1.26 -5.06 105.19 99.14 2yua n GLY 52 Ca 0.24 -0.62 -0.31 0.00 0.00 0.00 0.00 46.02 45.33 2yua n GLY 52 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2yua s SER 53 N -2.34 6.44 -0.11 1.61 0.01 -1.18 -5.02 113.70 113.10 2yua s SER 53 Ca 0.19 0.46 -0.07 0.00 1.31 0.00 0.00 55.95 57.85 2yua s SER 53 Cb 0.33 -2.04 -0.26 0.00 0.21 0.00 0.00 66.02 64.26 2yua s SER 53 CO -0.08 0.11 0.39 0.00 0.41 0.00 0.00 173.24 174.07 2yua h ALA 54 N 2.98 0.42 -0.85 1.44 0.00 -2.00 -3.24 119.26 118.01 2yua h ALA 54 Ca -0.46 -1.38 0.22 0.00 0.00 0.00 0.00 54.91 53.29 2yua h ALA 54 Cb 1.16 0.69 -0.14 0.00 0.00 0.00 0.00 17.79 19.51 2yua h ALA 54 CO 0.74 1.30 0.22 0.93 0.00 0.00 0.00 179.25 182.43 2yua h GLU 55 N 0.07 0.21 -0.02 0.00 4.39 -2.00 0.10 114.58 117.33 2yua h GLU 55 Ca -0.42 -0.01 -0.25 0.00 0.34 0.00 0.00 59.36 59.02 2yua h GLU 55 Cb 2.04 -0.05 0.02 0.00 -0.10 0.00 0.00 28.75 30.66 2yua h GLU 55 CO 0.10 0.14 -0.98 0.00 -1.16 0.00 0.00 179.01 177.10 2yua h ALA 56 N 1.75 0.22 -0.48 3.43 0.00 -1.96 -3.35 119.26 118.87 2yua h ALA 56 Ca 0.52 -0.69 0.05 0.00 0.00 0.00 0.00 54.91 54.79 2yua h ALA 56 Cb 1.03 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.78 2yua h ALA 56 CO -0.63 0.72 -0.34 0.00 0.00 0.00 0.00 179.25 178.99 2yua h ALA 57 N 0.51 -0.40 -0.84 0.00 0.00 -0.83 0.33 119.26 118.03 2yua h ALA 57 Ca -0.11 0.05 0.32 0.00 0.00 0.00 0.00 54.91 55.17 2yua h ALA 57 Cb 1.63 1.14 -0.15 0.00 0.00 0.00 0.00 17.79 20.40 2yua h ALA 57 CO 0.19 -0.62 0.32 0.39 0.00 0.00 0.00 179.25 179.53 2yua n GLU 58 N -4.30 -0.06 0.06 0.00 -0.58 -1.06 -0.94 120.64 113.77 2yua n GLU 58 Ca 0.00 1.18 -0.03 0.00 -0.42 0.00 0.00 57.16 57.90 2yua n GLU 58 Cb 0.17 -2.05 -0.01 0.00 -0.57 0.00 0.00 31.44 28.97 2yua n GLU 58 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2yua h ARG 59 N 0.00 -0.16 -1.07 3.49 2.47 -0.59 -2.82 114.38 115.70 2yua h ARG 59 Ca 0.65 0.01 0.40 0.00 -1.26 0.00 0.00 59.98 59.78 2yua h ARG 59 Cb 1.64 0.04 -0.13 0.00 -1.65 0.00 0.00 29.97 29.86 2yua h ARG 59 CO -0.69 -0.11 0.66 0.34 0.56 0.00 0.00 179.97 180.73 2yua n PHE 60 N -2.95 0.75 0.12 3.04 7.35 -0.30 0.79 117.46 126.27 2yua n PHE 60 Ca -0.02 0.76 -0.13 0.00 -0.76 0.00 0.00 57.45 57.30 2yua n PHE 60 Cb 0.07 -1.18 -0.08 0.00 0.35 0.00 0.00 39.48 38.64 2yua n PHE 60 CO 0.00 0.00 0.00 1.15 -0.76 0.00 0.00 176.76 177.15 2yua h THR 61 N 0.00 0.79 0.32 -2.13 2.02 -1.09 -3.00 112.91 109.84 2yua h THR 61 Ca 0.75 -0.67 -0.02 0.00 0.77 0.00 0.00 66.41 67.24 2yua h THR 61 Cb 2.27 1.15 0.00 0.00 -1.74 0.00 0.00 68.15 69.84 2yua h THR 61 CO -0.50 0.14 -0.16 0.03 0.37 0.00 0.00 175.52 175.40 2yua h ARG 62 N -0.70 -0.42 -0.85 6.66 3.08 0.65 -3.21 114.38 119.59 2yua h ARG 62 Ca -0.03 0.03 0.11 0.00 0.07 0.00 0.00 59.98 60.15 2yua h ARG 62 Cb 0.48 0.10 -0.12 0.00 0.08 0.00 0.00 29.97 30.50 2yua h ARG 62 CO 0.06 -0.10 -0.40 -0.89 -1.07 0.00 0.00 179.97 177.57 2yua n ILE 63 N -5.13 -0.50 -0.18 2.04 5.41 0.15 0.63 119.36 121.79 2yua n ILE 63 Ca -0.09 2.02 -0.02 0.00 1.00 0.00 0.00 62.75 65.66 2yua n ILE 63 Cb 0.27 -2.60 0.06 0.00 -0.71 0.00 0.00 39.64 36.65 2yua n ILE 63 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.55 176.83 2yua h SER 64 N 0.00 -0.44 -0.52 4.38 0.02 -1.57 -1.39 113.55 114.03 2yua h SER 64 Ca 0.24 0.16 0.10 0.00 -0.84 0.00 0.00 61.79 61.44 2yua h SER 64 Cb 0.45 0.31 -0.11 0.00 0.14 0.00 0.00 62.40 63.20 2yua h SER 64 CO -0.83 -0.16 -0.26 1.56 -1.14 0.00 0.00 176.83 176.00 2yua h GLN 65 N 0.03 -0.13 -1.04 3.45 4.20 0.19 0.30 115.11 122.11 2yua h GLN 65 Ca 0.27 0.01 0.27 0.00 0.06 0.00 0.00 58.65 59.26 2yua h GLN 65 Cb 0.42 0.03 -0.08 0.00 0.30 0.00 0.00 27.48 28.15 2yua h GLN 65 CO -0.54 -0.09 0.69 0.00 -0.67 0.00 0.00 178.83 178.23 2yua h ALA 66 N 1.15 2.44 -0.33 3.87 0.00 -0.84 0.91 119.26 126.46 2yua h ALA 66 Ca 0.23 0.03 -0.08 0.00 0.00 0.00 0.00 54.91 55.09 2yua h ALA 66 Cb 0.50 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.28 2yua h ALA 66 CO -0.60 -0.81 0.10 0.98 0.00 0.00 0.00 179.25 178.92 2yua n TYR 67 N -4.50 1.12 0.06 0.00 9.36 0.10 -3.55 117.16 119.75 2yua n TYR 67 Ca 0.24 -0.60 0.00 0.00 3.32 0.00 0.00 57.90 60.86 2yua n TYR 67 Cb 0.94 -0.39 0.00 0.00 -0.63 0.00 0.00 39.34 39.26 2yua n TYR 67 CO 0.00 0.00 0.00 0.28 0.22 0.00 0.00 176.86 177.36 2yua n VAL 68 N 0.11 0.84 0.13 2.97 0.31 0.31 -4.13 118.33 118.87 2yua n VAL 68 Ca 0.18 0.28 0.05 0.00 -0.01 0.00 0.00 64.34 64.83 2yua n VAL 68 Cb 0.81 -1.29 0.49 0.00 -0.91 0.00 0.00 33.84 32.94 2yua n VAL 68 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 2yua h VAL 69 N 0.00 1.09 0.00 2.52 2.07 -1.64 -2.49 116.25 117.80 2yua h VAL 69 Ca 0.00 -0.33 0.00 0.00 0.82 0.00 0.00 66.70 67.19 2yua h VAL 69 Cb 0.00 0.93 0.00 0.00 -1.52 0.00 0.00 31.29 30.70 2yua h VAL 69 CO 0.00 0.12 -1.83 0.18 0.02 0.00 0.00 177.57 176.05 2yua n LEU 70 N -4.43 0.16 -0.24 2.57 4.77 -1.23 -2.96 117.00 115.63 2yua n LEU 70 Ca -0.00 -0.05 0.32 0.00 -0.03 0.00 0.00 56.01 56.25 2yua n LEU 70 Cb 0.14 -0.00 0.70 0.00 -2.33 0.00 0.00 43.42 41.93 2yua n LEU 70 CO 0.36 0.02 1.30 1.23 -1.33 0.00 0.00 177.39 178.97 2yua h GLY 71 N 4.13 0.00 -4.20 -0.72 0.00 -1.60 -3.39 103.07 97.29 2yua h GLY 71 Ca 0.00 0.00 -0.60 0.00 0.00 0.00 0.00 47.33 46.73 2yua h GLY 71 CO 0.00 0.00 -0.84 -0.56 0.00 0.00 0.00 176.54 175.14 2yua s SER 72 N -4.73 2.74 0.07 0.19 0.01 -1.25 -5.02 113.70 105.71 2yua s SER 72 Ca -0.04 -0.66 -0.20 0.00 1.31 0.00 0.00 55.95 56.36 2yua s SER 72 Cb 0.20 -0.18 -0.11 0.00 0.21 0.00 0.00 66.02 66.14 2yua s SER 72 CO 0.69 0.12 1.53 0.00 0.41 0.00 0.00 173.24 175.99 2yua h ALA 73 N 4.25 0.24 0.03 1.44 0.00 -1.91 -3.17 119.26 120.14 2yua h ALA 73 Ca -0.46 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.27 2yua h ALA 73 Cb 1.17 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 2yua h ALA 73 CO 0.41 -0.08 -0.20 1.15 0.00 0.00 0.00 179.25 180.52 2yua h THR 74 N 0.08 0.00 -0.82 0.00 2.02 -1.95 -2.67 112.91 109.58 2yua h THR 74 Ca 0.05 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.33 2yua h THR 74 Cb 0.33 0.00 -0.11 0.00 -1.74 0.00 0.00 68.15 66.63 2yua h THR 74 CO 0.01 0.00 -0.41 0.18 0.37 0.00 0.00 175.52 175.67 2yua n LEU 75 N -3.61 -0.71 -0.32 2.58 4.77 -1.24 0.13 117.00 118.59 2yua n LEU 75 Ca -0.03 1.44 0.15 0.00 -0.03 0.00 0.00 56.01 57.54 2yua n LEU 75 Cb 0.16 -0.25 0.31 0.00 -2.33 0.00 0.00 43.42 41.30 2yua n LEU 75 CO 0.05 -1.23 0.86 0.03 -1.33 0.00 0.00 177.39 175.78 2yua h ARG 76 N 0.00 0.06 -0.15 3.23 3.08 -1.37 0.96 114.38 120.20 2yua h ARG 76 Ca 0.20 -0.00 -0.15 0.00 0.07 0.00 0.00 59.98 60.09 2yua h ARG 76 Cb 0.40 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.43 2yua h ARG 76 CO -0.79 0.04 -0.56 0.00 -1.07 0.00 0.00 179.97 177.59 2yua h ARG 77 N 0.06 0.44 0.48 0.04 -0.00 0.12 -3.06 114.38 112.46 2yua h ARG 77 Ca 0.60 -0.28 -0.02 0.00 -0.50 0.00 0.00 59.98 59.78 2yua h ARG 77 Cb 1.26 0.03 -0.01 0.00 0.00 0.00 0.00 29.97 31.25 2yua h ARG 77 CO -0.83 0.88 -0.42 0.87 0.00 0.00 0.00 179.97 180.48 2yua h LYS 78 N 0.34 -0.85 -0.42 0.04 1.57 0.24 -2.90 116.57 114.59 2yua h LYS 78 Ca 0.00 0.06 0.09 0.00 -1.87 0.00 0.00 60.65 58.93 2yua h LYS 78 Cb 1.08 0.19 -0.09 0.00 0.08 0.00 0.00 32.23 33.50 2yua h LYS 78 CO 0.10 -0.57 -0.16 -0.92 -0.57 0.00 0.00 179.45 177.34 2yua h TYR 79 N -0.88 -0.37 -1.00 -1.35 3.20 -1.41 0.65 116.97 115.82 2yua h TYR 79 Ca -0.06 0.04 0.36 0.00 3.14 0.00 0.00 58.73 62.21 2yua h TYR 79 Cb 0.75 0.23 -0.18 0.00 1.54 0.00 0.00 36.73 39.06 2yua h TYR 79 CO -0.19 -0.24 0.34 -0.25 -1.64 0.00 0.00 178.16 176.18 2yua n ASP 80 N -5.36 0.17 0.01 -2.11 8.00 -1.12 0.18 116.55 116.32 2yua n ASP 80 Ca 0.03 1.67 0.11 0.00 0.71 0.00 0.00 54.79 57.31 2yua n ASP 80 Cb 0.26 -0.74 -0.04 0.00 -0.02 0.00 0.00 41.12 40.59 2yua n ASP 80 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2yua n ARG 81 N -5.35 0.25 -0.34 -1.24 5.12 -0.26 -4.96 116.66 109.87 2yua n ARG 81 Ca 0.32 -0.03 0.00 0.00 -1.93 0.00 0.00 57.85 56.21 2yua n ARG 81 Cb 1.09 -1.55 0.00 0.00 -1.16 0.00 0.00 32.46 30.84 2yua n ARG 81 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2yua n GLY 82 N 1.40 0.82 0.00 -0.13 0.00 0.47 -4.94 105.19 102.80 2yua n GLY 82 Ca 0.02 -0.10 0.10 0.00 0.00 0.00 0.00 46.02 46.04 2yua n GLY 82 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2yua n LEU 83 N 0.00 0.00 -4.65 0.99 4.77 0.80 -4.68 117.00 114.23 2yua n LEU 83 Ca 0.00 0.37 -0.40 0.00 -0.03 0.00 0.00 56.01 55.94 2yua n LEU 83 Cb 0.00 -0.37 -0.06 0.00 -2.33 0.00 0.00 43.42 40.67 2yua n LEU 83 CO 0.00 -0.12 0.40 -0.22 -1.33 0.00 0.00 177.39 176.13 2yua s LEU 84 N -2.73 4.12 0.33 2.23 2.96 -1.24 -4.88 118.68 119.47 2yua s LEU 84 Ca 0.16 0.83 0.09 0.00 -0.22 0.00 0.00 54.13 54.98 2yua s LEU 84 Cb 0.13 -2.91 -0.05 0.00 0.50 0.00 0.00 46.19 43.86 2yua s LEU 84 CO 0.33 -0.31 0.06 -0.94 -1.32 0.00 0.00 176.35 174.17 2yua s SER 85 N 1.27 4.41 0.24 3.68 1.04 -1.26 -4.89 113.70 118.19 2yua s SER 85 Ca 0.29 -0.87 -0.11 0.00 0.48 0.00 0.00 55.95 55.74 2yua s SER 85 Cb -0.16 -0.64 0.34 0.00 0.10 0.00 0.00 66.02 65.67 2yua s SER 85 CO 0.10 -0.24 1.60 0.44 0.98 0.00 0.00 173.24 176.12 2yua h ASP 86 N 1.71 -0.67 -1.00 7.02 3.32 -1.99 0.20 116.42 125.01 2yua h ASP 86 Ca -0.43 0.23 0.33 0.00 0.02 0.00 0.00 57.03 57.18 2yua h ASP 86 Cb 1.25 0.46 -0.18 0.00 0.22 0.00 0.00 39.33 41.08 2yua h ASP 86 CO 0.65 -0.25 0.23 -0.08 -1.72 0.00 0.00 179.24 178.07 2yua h GLU 87 N 0.01 0.00 -0.01 3.56 4.81 -1.96 0.39 114.58 121.39 2yua h GLU 87 Ca 0.38 -0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.50 2yua h GLU 87 Cb 0.60 -0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.98 2yua h GLU 87 CO -0.78 0.00 -0.43 -0.44 -0.73 0.00 0.00 179.01 176.63 2yua h ASP 88 N 0.00 0.40 -0.81 1.04 3.32 -0.68 -2.69 116.42 117.00 2yua h ASP 88 Ca 0.70 -0.75 0.18 0.00 0.02 0.00 0.00 57.03 57.18 2yua h ASP 88 Cb 1.64 -0.12 -0.15 0.00 0.22 0.00 0.00 39.33 40.92 2yua h ASP 88 CO -0.87 1.10 -0.10 -0.07 -1.72 0.00 0.00 179.24 177.58 2yua h LEU 89 N -0.26 -0.57 -0.46 1.55 3.38 0.43 0.33 115.31 119.71 2yua h LEU 89 Ca -0.05 0.23 -0.17 0.00 0.09 0.00 0.00 57.88 57.97 2yua h LEU 89 Cb 1.15 0.44 -0.01 0.00 0.09 0.00 0.00 40.66 42.34 2yua h LEU 89 CO 0.09 -0.24 -0.69 0.08 0.09 0.00 0.00 178.44 177.77 2yua h ARG 90 N 0.04 0.40 0.00 1.13 0.11 -1.35 -3.48 114.38 111.23 2yua h ARG 90 Ca 0.42 -0.31 0.00 0.00 0.10 0.00 0.00 59.98 60.20 2yua h ARG 90 Cb 0.72 0.06 0.00 0.00 1.11 0.00 0.00 29.97 31.86 2yua h ARG 90 CO -0.78 0.94 0.00 0.41 0.10 0.00 0.00 179.97 180.64 2yua n GLY 91 N 0.47 1.10 0.16 0.08 0.00 0.12 -5.02 105.19 102.10 2yua n GLY 91 Ca -0.04 -0.15 0.01 0.00 0.00 0.00 0.00 46.02 45.84 2yua n GLY 91 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2yua h PRO 92 N 0.00 0.01 0.00 1.61 0.13 -1.79 -3.28 132.00 128.69 2yua h PRO 92 Ca 0.00 -0.01 -0.07 0.00 -0.87 0.00 0.00 66.00 65.06 2yua h PRO 92 Cb 0.00 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 31.02 2yua h PRO 92 CO 0.00 0.50 0.11 0.41 -0.23 0.00 0.00 178.00 178.79 2yua n GLY 93 N -0.13 -1.92 3.97 1.56 0.00 -1.26 -4.94 105.19 102.47 2yua n GLY 93 Ca -0.02 1.06 -0.21 0.00 0.00 0.00 0.00 46.02 46.85 2yua n GLY 93 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2yua s SER 94 N -0.01 5.82 -0.47 1.61 1.04 -1.26 -5.09 113.70 115.33 2yua s SER 94 Ca 0.22 0.07 0.07 0.00 0.48 0.00 0.00 55.95 56.79 2yua s SER 94 Cb 0.26 -1.34 0.18 0.00 0.10 0.00 0.00 66.02 65.23 2yua s SER 94 CO -0.16 -0.65 0.66 -0.83 0.98 0.00 0.00 173.24 173.24 2yua s GLY 95 N -4.23 -1.07 1.03 7.32 0.00 -1.26 -5.12 107.32 104.00 2yua s GLY 95 Ca 0.48 -0.37 -0.13 0.00 0.00 0.00 0.00 44.72 44.70 2yua s GLY 95 CO 0.35 3.53 1.09 2.56 0.00 0.00 0.00 173.10 180.64 2yua s PRO 96 N 1.14 0.18 0.30 2.90 0.04 -1.26 -5.08 135.00 133.22 2yua s PRO 96 Ca 0.25 0.43 0.09 0.00 0.04 0.00 0.00 61.00 61.82 2yua s PRO 96 Cb -0.02 -1.71 -0.04 0.00 0.04 0.00 0.00 34.50 32.76 2yua s PRO 96 CO -0.06 -2.88 0.07 0.45 0.04 0.00 0.00 177.00 174.61 2yua s SER 97 N -3.49 4.61 -0.20 6.66 0.15 -1.26 -5.12 113.70 115.05 2yua s SER 97 Ca 0.66 -0.72 -0.08 0.00 0.70 0.00 0.00 55.95 56.52 2yua s SER 97 Cb -0.18 -0.79 -0.04 0.00 -1.71 0.00 0.00 66.02 63.30 2yua s SER 97 CO 0.58 -0.15 0.08 -0.94 1.20 0.00 0.00 173.24 174.00 2yua s SER 98 N -3.76 5.60 0.00 5.45 1.04 -1.26 -5.37 113.70 115.40 2yua s SER 98 Ca 0.34 0.03 0.08 0.00 0.48 0.00 0.00 55.95 56.89 2yua s SER 98 Cb -0.04 -1.97 0.07 0.00 0.10 0.00 0.00 66.02 64.17 2yua s SER 98 CO 0.21 0.12 0.76 0.61 0.98 0.00 0.00 173.24 175.93