#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 -0.74 -1.73 1.61 1.04 -1.26 -4.95 113.70 107.67 2yua s SER 2 Ca 0.00 1.17 -0.17 0.00 0.48 0.00 0.00 55.95 57.43 2yua s SER 2 Cb 0.00 1.37 0.16 0.00 0.10 0.00 0.00 66.02 67.65 2yua s SER 2 CO 0.00 -0.18 0.60 -1.54 0.98 0.00 0.00 173.24 173.10 2yua n SER 3 N 4.14 -2.03 -0.01 7.02 3.41 -1.26 -4.86 113.62 120.03 2yua n SER 3 Ca -0.18 -1.13 -0.01 0.00 -0.26 0.00 0.00 58.87 57.29 2yua n SER 3 Cb 0.58 -2.23 -0.00 0.00 -0.26 0.00 0.00 64.21 62.29 2yua n SER 3 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 2yua h GLY 4 N -1.33 -0.07 -4.28 5.00 0.00 -2.08 -3.47 103.07 96.83 2yua h GLY 4 Ca -0.61 0.03 -0.67 0.00 0.00 0.00 0.00 47.33 46.08 2yua h GLY 4 CO 0.80 -0.03 -0.87 -0.56 0.00 0.00 0.00 176.54 175.89 2yua s SER 5 N -4.67 3.07 -0.41 0.19 0.01 -1.26 -5.11 113.70 105.52 2yua s SER 5 Ca -0.01 -0.60 -0.15 0.00 1.31 0.00 0.00 55.95 56.50 2yua s SER 5 Cb 0.00 -0.26 0.02 0.00 0.21 0.00 0.00 66.02 65.99 2yua s SER 5 CO 0.03 0.23 0.31 -0.44 0.41 0.00 0.00 173.24 173.78 2yua s SER 6 N -1.35 6.11 0.00 2.44 0.01 -1.26 -4.73 113.70 114.92 2yua s SER 6 Ca 0.11 -0.92 0.00 0.00 1.31 0.00 0.00 55.95 56.46 2yua s SER 6 Cb -0.10 -2.16 0.00 0.00 0.21 0.00 0.00 66.02 63.97 2yua s SER 6 CO 0.03 -0.46 0.00 0.61 0.41 0.00 0.00 173.24 173.82 2yua n GLY 7 N 5.16 -1.55 0.35 3.44 0.00 -1.26 -4.99 105.19 106.34 2yua n GLY 7 Ca -0.11 0.54 -0.07 0.00 0.00 0.00 0.00 46.02 46.38 2yua n GLY 7 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2yua n SER 8 N 0.00 -0.79 -4.17 1.61 2.88 -1.26 -4.49 113.62 107.39 2yua n SER 8 Ca 0.00 1.51 -0.35 0.00 -1.33 0.00 0.00 58.87 58.70 2yua n SER 8 Cb 0.00 -0.24 0.12 0.00 -0.75 0.00 0.00 64.21 63.34 2yua n SER 8 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2yua n GLN 9 N -5.13 -1.02 0.00 -1.46 3.00 -1.26 -5.03 117.38 106.48 2yua n GLN 9 Ca 0.04 -0.29 0.00 0.00 -0.01 0.00 0.00 57.00 56.74 2yua n GLN 9 Cb 0.26 -1.44 0.00 0.00 0.00 0.00 0.00 30.24 29.06 2yua n GLN 9 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2yua n GLY 10 N 2.57 4.45 1.82 1.08 0.00 -1.26 -5.02 105.19 108.84 2yua n GLY 10 Ca -0.00 -1.00 -0.12 0.00 0.00 0.00 0.00 46.02 44.90 2yua n GLY 10 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2yua n ASP 11 N 0.00 6.04 -0.14 1.61 2.03 -1.26 -4.59 116.55 120.25 2yua n ASP 11 Ca 0.00 -2.83 -0.04 0.00 0.52 0.00 0.00 54.79 52.44 2yua n ASP 11 Cb 0.00 -1.11 0.02 0.00 -0.72 0.00 0.00 41.12 39.31 2yua n ASP 11 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2yua s SER 13 N -5.19 3.42 0.49 0.00 0.01 -1.26 -5.10 113.70 106.07 2yua s SER 13 Ca -0.14 -0.42 -0.14 0.00 1.31 0.00 0.00 55.95 56.56 2yua s SER 13 Cb 0.15 -0.98 -0.12 0.00 0.21 0.00 0.00 66.02 65.29 2yua s SER 13 CO 0.71 0.25 -0.21 0.00 0.41 0.00 0.00 173.24 174.40 2yua n TYR 14 N 2.92 -2.72 -2.39 2.43 0.18 -1.26 -4.75 117.16 111.57 2yua n TYR 14 Ca -0.17 0.29 -0.42 0.00 1.88 0.00 0.00 57.90 59.48 2yua n TYR 14 Cb 0.52 -1.33 -0.02 0.00 -0.38 0.00 0.00 39.34 38.13 2yua n TYR 14 CO 0.00 0.00 0.00 0.45 -2.08 0.00 0.00 176.86 175.23 2yua s SER 15 N -0.81 6.21 0.09 9.48 0.15 -1.26 -4.83 113.70 122.73 2yua s SER 15 Ca 0.44 0.43 0.19 0.00 0.70 0.00 0.00 55.95 57.71 2yua s SER 15 Cb -0.35 -2.54 -0.11 0.00 -1.71 0.00 0.00 66.02 61.30 2yua s SER 15 CO 0.56 -1.62 0.84 -2.11 1.20 0.00 0.00 173.24 172.12 2yua n ARG 16 N 8.47 0.62 -1.34 5.44 1.85 -1.26 -4.09 116.66 126.35 2yua n ARG 16 Ca 0.13 0.15 -0.24 0.00 -1.00 0.00 0.00 57.85 56.89 2yua n ARG 16 Cb 0.49 -1.78 0.11 0.00 -1.05 0.00 0.00 32.46 30.23 2yua n ARG 16 CO 0.00 0.00 0.00 0.25 -0.01 0.00 0.00 177.63 177.87 2yua n THR 17 N -2.76 3.12 -0.10 8.89 -2.24 -1.26 -4.58 114.28 115.35 2yua n THR 17 Ca -0.07 -2.94 -0.19 0.00 -2.27 0.00 0.00 64.05 58.58 2yua n THR 17 Cb 0.73 -0.84 -0.10 0.00 -2.10 0.00 0.00 70.33 68.02 2yua n THR 17 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2yua h ALA 18 N 1.63 0.21 0.00 6.98 0.00 -1.98 -3.08 119.26 123.01 2yua h ALA 18 Ca 0.49 -1.06 0.00 0.00 0.00 0.00 0.00 54.91 54.35 2yua h ALA 18 Cb 1.55 0.66 0.00 0.00 0.00 0.00 0.00 17.79 20.00 2yua h ALA 18 CO 1.09 0.63 0.20 -0.07 0.00 0.00 0.00 179.25 181.10 2yua h LEU 19 N -1.00 0.00 0.00 0.00 3.38 -1.87 0.22 115.31 116.04 2yua h LEU 19 Ca -0.27 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.44 2yua h LEU 19 Cb 1.15 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.85 2yua h LEU 19 CO -0.17 0.00 -1.88 -1.22 0.09 0.00 0.00 178.44 175.26 2yua n TYR 20 N -2.81 0.57 0.10 1.13 4.02 -1.26 -4.12 117.16 114.79 2yua n TYR 20 Ca -0.02 0.20 -0.20 0.00 -0.01 0.00 0.00 57.90 57.87 2yua n TYR 20 Cb 0.25 -1.03 -0.12 0.00 -0.02 0.00 0.00 39.34 38.41 2yua n TYR 20 CO 0.00 0.00 0.00 0.22 -1.01 0.00 0.00 176.86 176.07 2yua h ASP 21 N 0.00 0.70 -1.00 7.72 3.58 -0.58 0.12 116.42 126.97 2yua h ASP 21 Ca -0.31 -0.68 0.07 0.00 0.42 0.00 0.00 57.03 56.53 2yua h ASP 21 Cb 1.88 -0.22 -0.07 0.00 1.72 0.00 0.00 39.33 42.64 2yua h ASP 21 CO 0.05 1.50 0.64 -0.07 -2.88 0.00 0.00 179.24 178.48 2yua h LEU 22 N 0.20 1.02 0.06 2.28 4.07 -1.12 -3.09 115.31 118.73 2yua h LEU 22 Ca -0.17 0.02 -0.29 0.00 0.08 0.00 0.00 57.88 57.52 2yua h LEU 22 Cb 1.92 -0.20 -0.02 0.00 1.08 0.00 0.00 40.66 43.44 2yua h LEU 22 CO 0.23 0.63 -1.56 -0.07 -1.08 0.00 0.00 178.44 176.59 2yua h LEU 23 N 1.15 0.21 0.00 1.67 4.07 -1.71 -3.49 115.31 117.20 2yua h LEU 23 Ca 0.44 -0.72 0.00 0.00 0.08 0.00 0.00 57.88 57.68 2yua h LEU 23 Cb 0.21 -0.07 0.00 0.00 1.08 0.00 0.00 40.66 41.89 2yua h LEU 23 CO -0.19 1.65 0.00 0.61 -1.08 0.00 0.00 178.44 179.43 2yua n GLY 24 N 1.69 1.37 3.80 0.83 0.00 0.35 -4.84 105.19 108.40 2yua n GLY 24 Ca -0.31 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.38 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 -2.00 4.79 0.97 1.61 -7.23 -0.82 -5.01 120.40 112.71 2yua s VAL 25 Ca 0.00 -0.46 -0.12 0.00 -1.81 0.00 0.00 61.98 59.59 2yua s VAL 25 Cb 0.00 -3.23 0.17 0.00 0.56 0.00 0.00 36.38 33.88 2yua s VAL 25 CO 0.00 0.29 1.09 -2.16 -0.31 0.00 0.00 175.10 174.01 2yua s PRO 26 N -1.94 0.64 0.59 4.82 0.04 -1.26 -4.64 135.00 133.25 2yua s PRO 26 Ca 0.25 0.60 0.36 0.00 0.04 0.00 0.00 61.00 62.26 2yua s PRO 26 Cb -0.12 -1.75 1.82 0.00 0.04 0.00 0.00 34.50 34.49 2yua s PRO 26 CO 0.17 -2.61 2.17 0.66 0.04 0.00 0.00 177.00 177.43 2yua h SER 27 N -1.81 0.00 -0.18 6.66 4.64 -1.99 -2.06 113.55 118.81 2yua h SER 27 Ca -0.53 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 60.71 2yua h SER 27 Cb 1.32 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.36 2yua h SER 27 CO 0.57 0.03 -0.18 1.07 -0.87 0.00 0.00 176.83 177.45 2yua n THR 28 N -3.24 2.32 -0.25 2.95 5.66 -1.26 -4.98 114.28 115.48 2yua n THR 28 Ca -0.01 -2.70 -0.25 0.00 -3.05 0.00 0.00 64.05 58.03 2yua n THR 28 Cb 0.19 -0.28 0.24 0.00 -1.55 0.00 0.00 70.33 68.93 2yua n THR 28 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2yua n ALA 29 N -1.09 -4.27 -2.43 1.79 0.00 -0.78 -5.05 120.51 108.68 2yua n ALA 29 Ca 0.25 -1.24 -0.23 0.00 0.00 0.00 0.00 53.44 52.22 2yua n ALA 29 Cb 0.86 -0.11 -0.11 0.00 0.00 0.00 0.00 19.45 20.09 2yua n ALA 29 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2yua s THR 30 N -1.97 2.03 0.40 0.00 -4.23 -1.26 -4.96 115.64 105.65 2yua s THR 30 Ca 0.54 -2.09 0.23 0.00 -1.18 0.00 0.00 61.69 59.19 2yua s THR 30 Cb -0.10 -2.02 0.42 0.00 1.34 0.00 0.00 72.50 72.14 2yua s THR 30 CO 0.45 -0.35 1.68 -0.61 -0.54 0.00 0.00 174.62 175.25 2yua h GLN 31 N 2.92 0.22 -0.69 3.99 5.75 -1.98 0.69 115.11 126.01 2yua h GLN 31 Ca -0.42 -0.01 -0.03 0.00 -0.15 0.00 0.00 58.65 58.04 2yua h GLN 31 Cb 1.22 -0.05 -0.03 0.00 1.07 0.00 0.00 27.48 29.69 2yua h GLN 31 CO 0.54 0.15 0.31 0.00 -2.65 0.00 0.00 178.83 177.18 2yua h ALA 32 N 1.67 0.89 0.10 3.38 0.00 -1.99 -2.16 119.26 121.16 2yua h ALA 32 Ca 0.73 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.48 2yua h ALA 32 Cb 2.05 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 19.57 2yua h ALA 32 CO -0.43 0.48 -0.05 1.96 0.00 0.00 0.00 179.25 181.21 2yua h GLN 33 N 0.97 -0.14 -1.29 0.00 4.20 -0.09 -1.28 115.11 117.48 2yua h GLN 33 Ca 0.23 0.01 0.46 0.00 0.06 0.00 0.00 58.65 59.41 2yua h GLN 33 Cb 0.16 0.03 -0.15 0.00 0.30 0.00 0.00 27.48 27.82 2yua h GLN 33 CO -0.03 -0.09 0.81 -0.89 -0.67 0.00 0.00 178.83 177.96 2yua n ILE 34 N -3.17 -0.28 0.02 2.54 5.41 -0.28 -0.65 119.36 122.96 2yua n ILE 34 Ca -0.02 1.82 -0.02 0.00 1.00 0.00 0.00 62.75 65.53 2yua n ILE 34 Cb 0.06 -2.98 -0.01 0.00 -0.71 0.00 0.00 39.64 36.00 2yua n ILE 34 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 176.55 177.05 2yua h LYS 35 N 0.00 -0.12 -0.99 0.38 3.64 -1.46 -3.12 116.57 114.89 2yua h LYS 35 Ca 0.86 0.01 0.36 0.00 -1.27 0.00 0.00 60.65 60.61 2yua h LYS 35 Cb 2.69 0.03 -0.17 0.00 -0.41 0.00 0.00 32.23 34.37 2yua h LYS 35 CO -0.52 -0.08 0.44 0.00 -2.27 0.00 0.00 179.45 177.02 2yua h ALA 36 N -1.37 1.89 0.84 5.00 0.00 0.11 -0.17 119.26 125.56 2yua h ALA 36 Ca -0.01 0.26 -0.04 0.00 0.00 0.00 0.00 54.91 55.12 2yua h ALA 36 Cb 0.10 0.33 0.01 0.00 0.00 0.00 0.00 17.79 18.23 2yua h ALA 36 CO 0.02 -0.77 -0.40 0.00 0.00 0.00 0.00 179.25 178.10 2yua h ALA 37 N 1.95 -1.30 -1.18 0.00 0.00 -0.99 -2.68 119.26 115.05 2yua h ALA 37 Ca 0.76 -0.25 0.40 0.00 0.00 0.00 0.00 54.91 55.82 2yua h ALA 37 Cb 1.87 0.44 -0.14 0.00 0.00 0.00 0.00 17.79 19.96 2yua h ALA 37 CO -0.75 -1.22 0.73 -0.92 0.00 0.00 0.00 179.25 177.09 2yua h TYR 38 N -1.12 0.66 -0.08 0.00 3.20 -0.98 0.46 116.97 119.12 2yua h TYR 38 Ca -0.11 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.78 2yua h TYR 38 Cb 0.86 -0.17 -0.00 0.00 1.54 0.00 0.00 36.73 38.96 2yua h TYR 38 CO 0.04 -0.22 0.04 1.88 -1.64 0.00 0.00 178.16 178.26 2yua h TYR 39 N 0.15 0.11 -0.82 -3.82 0.05 -1.12 -2.67 116.97 108.85 2yua h TYR 39 Ca 0.79 -0.01 0.12 0.00 0.05 0.00 0.00 58.73 59.69 2yua h TYR 39 Cb 2.25 -0.04 -0.06 0.00 1.01 0.00 0.00 36.73 39.90 2yua h TYR 39 CO -0.01 0.19 0.54 0.00 -1.05 0.00 0.00 178.16 177.83 2yua h ARG 40 N 0.00 0.63 -0.14 4.88 3.08 0.23 -2.38 114.38 120.69 2yua h ARG 40 Ca 0.03 -0.04 0.05 0.00 0.07 0.00 0.00 59.98 60.08 2yua h ARG 40 Cb 0.12 -0.14 -0.07 0.00 0.08 0.00 0.00 29.97 29.96 2yua h ARG 40 CO -0.00 0.42 -0.39 1.96 -1.07 0.00 0.00 179.97 180.89 2yua h GLN 41 N 0.65 -0.44 -0.46 0.04 1.08 -1.08 -1.38 115.11 113.52 2yua h GLN 41 Ca 0.40 0.03 0.08 0.00 -1.45 0.00 0.00 58.65 57.71 2yua h GLN 41 Cb 0.63 0.10 -0.07 0.00 -0.05 0.00 0.00 27.48 28.09 2yua h GLN 41 CO -0.16 -0.29 0.07 0.00 -0.95 0.00 0.00 178.83 177.50 2yua h PHE 43 N 0.20 -0.79 -0.86 0.00 3.57 -1.23 -1.00 116.94 116.84 2yua h PHE 43 Ca 0.23 0.04 0.22 0.00 3.53 0.00 0.00 57.97 61.99 2yua h PHE 43 Cb 0.31 0.38 -0.13 0.00 2.79 0.00 0.00 35.95 39.30 2yua h PHE 43 CO -0.24 -0.36 0.26 -0.07 -2.23 0.00 0.00 178.31 175.67 2yua h LEU 44 N -0.30 0.07 -7.17 0.59 3.38 -0.75 -2.96 115.31 108.17 2yua h LEU 44 Ca 0.13 0.18 -0.68 0.00 0.09 0.00 0.00 57.88 57.60 2yua h LEU 44 Cb 0.51 0.23 -0.37 0.00 0.09 0.00 0.00 40.66 41.11 2yua h LEU 44 CO -0.42 -0.10 -0.21 -1.22 0.09 0.00 0.00 178.44 176.59 2yua n TYR 45 N -5.18 3.90 -2.14 1.13 4.02 -0.39 -5.07 117.16 113.42 2yua n TYR 45 Ca 0.20 -4.13 -0.40 0.00 -0.01 0.00 0.00 57.90 53.56 2yua n TYR 45 Cb 0.64 -0.98 -0.02 0.00 -0.02 0.00 0.00 39.34 38.95 2yua n TYR 45 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 176.86 174.27 2yua s HIS 46 N -1.54 3.06 -0.15 -0.72 2.46 -1.12 -4.82 115.29 112.46 2yua s HIS 46 Ca 0.28 1.44 0.29 0.00 0.47 0.00 0.00 55.06 57.55 2yua s HIS 46 Cb -0.04 -3.63 1.22 0.00 -0.13 0.00 0.00 32.58 30.00 2yua s HIS 46 CO -0.12 -1.76 1.87 -1.00 -2.47 0.00 0.00 174.74 171.26 2yua h PRO 47 N 3.27 0.00 0.01 2.88 0.13 -1.89 -2.38 132.00 134.02 2yua h PRO 47 Ca -0.49 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.64 2yua h PRO 47 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 2yua h PRO 47 CO 0.65 0.00 -0.00 0.22 -0.23 0.00 0.00 178.00 178.64 2yua h ASP 48 N 0.00 -0.01 0.68 1.44 1.82 -1.96 -3.23 116.42 115.17 2yua h ASP 48 Ca 0.00 -0.65 -0.03 0.00 -0.39 0.00 0.00 57.03 55.96 2yua h ASP 48 Cb 0.43 0.00 0.01 0.00 0.68 0.00 0.00 39.33 40.45 2yua h ASP 48 CO 0.00 0.81 -0.33 0.03 -1.61 0.00 0.00 179.24 178.14 2yua h ARG 49 N -0.99 -0.89 -1.96 0.28 2.47 -1.96 -3.09 114.38 108.24 2yua h ARG 49 Ca -0.00 0.06 -0.14 0.00 -1.26 0.00 0.00 59.98 58.64 2yua h ARG 49 Cb 0.65 0.20 -0.05 0.00 -1.65 0.00 0.00 29.97 29.12 2yua h ARG 49 CO 0.00 -0.56 -0.10 0.09 0.56 0.00 0.00 179.97 179.96 2yua n ASN 50 N -5.41 5.48 -0.29 7.04 3.02 -0.90 -4.62 115.26 119.57 2yua n ASN 50 Ca -0.12 -2.55 0.04 0.00 -0.03 0.00 0.00 54.58 51.91 2yua n ASN 50 Cb 0.38 -1.25 0.12 0.00 -0.61 0.00 0.00 39.78 38.41 2yua n ASN 50 CO 0.00 0.00 0.00 -1.28 -2.62 0.00 0.00 177.26 173.36 2yua h SER 51 N 2.01 -0.74 -2.96 6.41 0.87 -1.55 -3.19 113.55 114.40 2yua h SER 51 Ca 0.13 0.25 -0.61 0.00 -1.23 0.00 0.00 61.79 60.33 2yua h SER 51 Cb 1.19 0.51 -0.40 0.00 -0.44 0.00 0.00 62.40 63.26 2yua h SER 51 CO 0.22 -0.27 -0.75 -0.83 -0.53 0.00 0.00 176.83 174.67 2yua s GLY 52 N -3.93 2.07 -0.02 5.77 0.00 -1.26 -5.03 107.32 104.91 2yua s GLY 52 Ca -0.15 -3.09 0.07 0.00 0.00 0.00 0.00 44.72 41.56 2yua s GLY 52 CO 0.76 1.53 -0.24 -0.45 0.00 0.00 0.00 173.10 174.70 2yua s SER 53 N -0.53 3.20 -0.13 1.64 0.15 -1.21 -5.03 113.70 111.80 2yua s SER 53 Ca 0.26 -0.43 0.10 0.00 0.70 0.00 0.00 55.95 56.58 2yua s SER 53 Cb -0.06 -0.42 -0.23 0.00 -1.71 0.00 0.00 66.02 63.60 2yua s SER 53 CO -0.14 0.32 0.33 0.00 1.20 0.00 0.00 173.24 174.95 2yua n ALA 54 N 2.40 1.40 -0.02 5.45 0.00 -1.26 -4.08 120.51 124.40 2yua n ALA 54 Ca -0.16 -0.97 -0.18 0.00 0.00 0.00 0.00 53.44 52.14 2yua n ALA 54 Cb 0.51 -0.52 -0.07 0.00 0.00 0.00 0.00 19.45 19.37 2yua n ALA 54 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2yua h GLU 55 N 0.01 0.80 -0.27 0.00 5.08 -2.02 -3.28 114.58 114.90 2yua h GLU 55 Ca -0.42 -0.66 0.05 0.00 -1.00 0.00 0.00 59.36 57.32 2yua h GLU 55 Cb 2.08 0.14 -0.05 0.00 0.50 0.00 0.00 28.75 31.43 2yua h GLU 55 CO 0.05 1.26 -0.02 0.00 -1.00 0.00 0.00 179.01 179.30 2yua h ALA 56 N 0.54 0.22 -0.55 3.43 0.00 -1.99 -3.00 119.26 117.92 2yua h ALA 56 Ca -0.06 0.08 0.05 0.00 0.00 0.00 0.00 54.91 54.99 2yua h ALA 56 Cb 1.42 0.15 -0.07 0.00 0.00 0.00 0.00 17.79 19.30 2yua h ALA 56 CO 0.16 -0.43 -0.32 0.00 0.00 0.00 0.00 179.25 178.66 2yua n ALA 57 N -2.44 -0.35 -0.25 0.00 0.00 -1.24 -0.93 120.51 115.30 2yua n ALA 57 Ca -0.01 0.47 -0.11 0.00 0.00 0.00 0.00 53.44 53.79 2yua n ALA 57 Cb 0.15 0.11 -0.09 0.00 0.00 0.00 0.00 19.45 19.62 2yua n ALA 57 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2yua h GLU 58 N 0.00 -0.17 -0.41 0.00 4.39 -1.66 -1.03 114.58 115.70 2yua h GLU 58 Ca 0.09 0.01 0.07 0.00 0.34 0.00 0.00 59.36 59.87 2yua h GLU 58 Cb 0.22 0.04 -0.09 0.00 -0.10 0.00 0.00 28.75 28.82 2yua h GLU 58 CO -0.52 -0.11 -0.44 -0.09 -1.16 0.00 0.00 179.01 176.70 2yua h ARG 59 N -0.17 -0.32 -0.85 2.33 9.65 -1.12 -0.34 114.38 123.56 2yua h ARG 59 Ca 0.10 0.02 0.19 0.00 -1.10 0.00 0.00 59.98 59.20 2yua h ARG 59 Cb 0.45 0.07 -0.16 0.00 -1.39 0.00 0.00 29.97 28.94 2yua h ARG 59 CO -0.69 -0.21 -0.08 0.74 2.80 0.00 0.00 179.97 182.53 2yua h PHE 60 N -0.33 -0.21 -0.07 2.20 0.04 0.22 0.26 116.94 119.05 2yua h PHE 60 Ca 0.13 0.07 0.02 0.00 2.80 0.00 0.00 57.97 60.99 2yua h PHE 60 Cb 0.58 0.23 -0.02 0.00 2.20 0.00 0.00 35.95 38.94 2yua h PHE 60 CO -0.63 -0.33 -0.04 1.15 -0.60 0.00 0.00 178.31 177.85 2yua h THR 61 N 0.04 0.86 0.38 -1.55 2.02 -0.17 -1.83 112.91 112.65 2yua h THR 61 Ca 0.45 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.62 2yua h THR 61 Cb 0.80 0.86 0.00 0.00 -1.74 0.00 0.00 68.15 68.07 2yua h THR 61 CO -0.81 0.00 -0.18 0.03 0.37 0.00 0.00 175.52 174.93 2yua h ARG 62 N -0.05 -0.49 -0.39 6.66 3.08 -0.03 -3.03 114.38 120.14 2yua h ARG 62 Ca 0.04 0.03 0.06 0.00 0.07 0.00 0.00 59.98 60.19 2yua h ARG 62 Cb 0.11 0.11 -0.09 0.00 0.08 0.00 0.00 29.97 30.19 2yua h ARG 62 CO -0.10 -0.32 -0.48 0.82 -1.07 0.00 0.00 179.97 178.81 2yua h ILE 63 N -0.51 0.06 -0.99 2.04 2.04 -0.50 0.98 117.51 120.64 2yua h ILE 63 Ca -0.05 0.00 0.34 0.00 1.00 0.00 0.00 64.86 66.15 2yua h ILE 63 Cb 0.39 0.06 -0.16 0.00 -0.74 0.00 0.00 36.82 36.37 2yua h ILE 63 CO 0.08 0.00 0.51 0.77 0.00 0.00 0.00 178.15 179.52 2yua h SER 64 N -0.37 0.39 0.16 1.72 4.64 -1.27 0.19 113.55 119.00 2yua h SER 64 Ca 0.11 0.21 0.01 0.00 -0.47 0.00 0.00 61.79 61.65 2yua h SER 64 Cb 0.60 0.20 -0.02 0.00 -0.31 0.00 0.00 62.40 62.87 2yua h SER 64 CO -0.57 -0.23 -0.18 1.56 -0.87 0.00 0.00 176.83 176.54 2yua h GLN 65 N 0.22 -0.37 -1.34 4.77 4.20 -0.69 -1.75 115.11 120.15 2yua h GLN 65 Ca 0.75 0.03 0.39 0.00 0.06 0.00 0.00 58.65 59.87 2yua h GLN 65 Cb 1.77 0.08 -0.07 0.00 0.30 0.00 0.00 27.48 29.56 2yua h GLN 65 CO -0.67 -0.25 0.94 0.00 -0.67 0.00 0.00 178.83 178.18 2yua h ALA 66 N 0.40 3.07 -0.53 3.87 0.00 -0.38 1.32 119.26 127.01 2yua h ALA 66 Ca 0.01 -0.01 -0.23 0.00 0.00 0.00 0.00 54.91 54.68 2yua h ALA 66 Cb 0.37 0.11 -0.14 0.00 0.00 0.00 0.00 17.79 18.13 2yua h ALA 66 CO -0.06 -1.51 0.30 0.98 0.00 0.00 0.00 179.25 178.96 2yua n TYR 67 N -4.28 1.67 0.05 0.00 9.36 -0.66 -3.62 117.16 119.69 2yua n TYR 67 Ca 0.31 -1.09 0.00 0.00 3.32 0.00 0.00 57.90 60.44 2yua n TYR 67 Cb 1.37 -0.59 0.00 0.00 -0.63 0.00 0.00 39.34 39.49 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 -0.28 1.02 0.16 2.97 0.31 0.45 -4.09 118.33 118.88 2yua n VAL 68 Ca 0.31 0.34 0.01 0.00 -0.01 0.00 0.00 64.34 64.99 2yua n VAL 68 Cb 1.10 -1.50 0.29 0.00 -0.91 0.00 0.00 33.84 32.82 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 1.32 0.00 2.52 2.07 -1.72 -3.16 116.25 117.28 2yua h VAL 69 Ca 0.00 -1.54 -0.28 0.00 0.82 0.00 0.00 66.70 65.70 2yua h VAL 69 Cb 0.11 1.82 -0.05 0.00 -1.52 0.00 0.00 31.29 31.64 2yua h VAL 69 CO 0.00 0.44 -2.14 0.18 0.02 0.00 0.00 177.57 176.08 2yua n LEU 70 N -4.01 0.20 -0.28 2.57 4.77 -1.24 -2.61 117.00 116.41 2yua n LEU 70 Ca -0.02 0.09 0.12 0.00 -0.03 0.00 0.00 56.01 56.17 2yua n LEU 70 Cb 0.47 0.33 0.23 0.00 -2.33 0.00 0.00 43.42 42.12 2yua n LEU 70 CO 0.40 0.36 0.63 0.61 -1.33 0.00 0.00 177.39 178.06 2yua n GLY 71 N 1.60 -1.10 3.45 -0.72 0.00 -1.19 -3.63 105.19 103.60 2yua n GLY 71 Ca -0.24 0.79 -0.40 0.00 0.00 0.00 0.00 46.02 46.17 2yua n GLY 71 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2yua s SER 72 N -5.02 5.85 0.14 1.61 0.15 -1.26 -4.98 113.70 110.19 2yua s SER 72 Ca -0.10 -0.69 -0.17 0.00 0.70 0.00 0.00 55.95 55.68 2yua s SER 72 Cb 0.23 -2.08 0.07 0.00 -1.71 0.00 0.00 66.02 62.54 2yua s SER 72 CO 0.62 -0.31 1.10 0.00 1.20 0.00 0.00 173.24 175.85 2yua n ALA 73 N 5.06 -0.26 -0.18 5.45 0.00 -1.24 -0.54 120.51 128.80 2yua n ALA 73 Ca -0.12 0.66 -0.07 0.00 0.00 0.00 0.00 53.44 53.91 2yua n ALA 73 Cb 0.48 -0.21 -0.06 0.00 0.00 0.00 0.00 19.45 19.66 2yua n ALA 73 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 2yua h THR 74 N 0.00 0.00 -0.99 0.00 2.02 -1.94 -0.83 112.91 111.17 2yua h THR 74 Ca 0.18 0.00 0.13 0.00 0.77 0.00 0.00 66.41 67.49 2yua h THR 74 Cb 0.36 0.00 -0.14 0.00 -1.74 0.00 0.00 68.15 66.63 2yua h THR 74 CO -0.69 0.00 -0.46 0.18 0.37 0.00 0.00 175.52 174.93 2yua n LEU 75 N -4.25 -0.79 -0.18 2.58 4.77 0.30 -1.04 117.00 118.39 2yua n LEU 75 Ca 0.00 1.73 -0.10 0.00 -0.03 0.00 0.00 56.01 57.62 2yua n LEU 75 Cb 0.16 -0.33 -0.08 0.00 -2.33 0.00 0.00 43.42 40.84 2yua n LEU 75 CO -0.06 -1.50 0.49 -0.09 -1.33 0.00 0.00 177.39 174.90 2yua h ARG 76 N 0.00 -0.19 -0.67 3.23 2.43 -0.91 0.12 114.38 118.40 2yua h ARG 76 Ca 0.27 0.01 0.14 0.00 -0.81 0.00 0.00 59.98 59.60 2yua h ARG 76 Cb 0.52 0.04 -0.12 0.00 -0.42 0.00 0.00 29.97 30.00 2yua h ARG 76 CO -0.96 -0.13 -0.06 0.00 -1.51 0.00 0.00 179.97 177.31 2yua h ARG 77 N -0.20 0.06 0.13 0.20 3.08 -0.65 -0.75 114.38 116.25 2yua h ARG 77 Ca 0.08 -0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.14 2yua h ARG 77 Cb 0.41 -0.01 -0.05 0.00 0.08 0.00 0.00 29.97 30.40 2yua h ARG 77 CO -0.55 0.04 -0.52 0.87 -1.07 0.00 0.00 179.97 178.75 2yua h LYS 78 N 0.06 -0.73 -0.53 0.04 1.57 -0.05 -2.21 116.57 114.72 2yua h LYS 78 Ca 0.34 0.05 0.10 0.00 -1.87 0.00 0.00 60.65 59.28 2yua h LYS 78 Cb 0.56 0.17 -0.09 0.00 0.08 0.00 0.00 32.23 32.95 2yua h LYS 78 CO -0.62 -0.49 0.03 -0.92 -0.57 0.00 0.00 179.45 176.88 2yua h TYR 79 N -0.76 0.02 -0.91 -1.35 3.20 -0.34 0.95 116.97 117.78 2yua h TYR 79 Ca -0.00 0.04 0.26 0.00 3.14 0.00 0.00 58.73 62.16 2yua h TYR 79 Cb 0.76 0.07 -0.14 0.00 1.54 0.00 0.00 36.73 38.96 2yua h TYR 79 CO -0.44 -0.10 0.33 -0.44 -1.64 0.00 0.00 178.16 175.87 2yua h ASP 80 N 0.15 0.15 0.45 -2.11 5.19 -0.57 0.48 116.42 120.16 2yua h ASP 80 Ca 0.27 0.19 0.00 0.00 -0.62 0.00 0.00 57.03 56.88 2yua h ASP 80 Cb 0.41 0.23 0.00 0.00 0.18 0.00 0.00 39.33 40.15 2yua h ASP 80 CO -0.43 -0.14 -0.98 0.54 -3.12 0.00 0.00 179.24 175.11 2yua n ARG 81 N -5.17 0.27 -0.48 3.56 5.12 -0.27 -4.96 116.66 114.72 2yua n ARG 81 Ca 0.24 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.16 2yua n ARG 81 Cb 0.76 -1.59 0.00 0.00 -1.16 0.00 0.00 32.46 30.47 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 1.38 0.71 0.00 -0.13 0.00 0.29 -4.95 105.19 102.50 2yua n GLY 82 Ca 0.02 -0.41 0.12 0.00 0.00 0.00 0.00 46.02 45.75 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 0.01 -4.82 0.99 4.77 0.87 -4.81 117.00 114.02 2yua n LEU 83 Ca 0.00 0.50 -0.34 0.00 -0.03 0.00 0.00 56.01 56.14 2yua n LEU 83 Cb 0.00 -0.50 -0.06 0.00 -2.33 0.00 0.00 43.42 40.53 2yua n LEU 83 CO 0.00 -0.06 0.54 -0.22 -1.33 0.00 0.00 177.39 176.32 2yua s LEU 84 N -3.03 4.10 0.19 2.23 2.96 -1.25 -4.91 118.68 118.97 2yua s LEU 84 Ca 0.12 1.54 0.08 0.00 -0.22 0.00 0.00 54.13 55.65 2yua s LEU 84 Cb 0.17 -4.17 -0.04 0.00 0.50 0.00 0.00 46.19 42.65 2yua s LEU 84 CO 0.47 -0.21 -0.15 -0.55 -1.32 0.00 0.00 176.35 174.59 2yua s SER 85 N -2.04 2.53 0.42 3.68 0.15 -1.26 -4.93 113.70 112.24 2yua s SER 85 Ca 0.55 -0.96 0.24 0.00 0.70 0.00 0.00 55.95 56.48 2yua s SER 85 Cb -0.12 -0.13 1.25 0.00 -1.71 0.00 0.00 66.02 65.31 2yua s SER 85 CO 0.17 -0.14 1.73 0.44 1.20 0.00 0.00 173.24 176.64 2yua h ASP 86 N 2.82 0.34 -1.51 5.45 3.32 -2.01 0.13 116.42 124.96 2yua h ASP 86 Ca -0.39 0.09 0.48 0.00 0.02 0.00 0.00 57.03 57.23 2yua h ASP 86 Cb 1.21 0.05 -0.11 0.00 0.22 0.00 0.00 39.33 40.70 2yua h ASP 86 CO 0.58 -0.01 1.02 -0.08 -1.72 0.00 0.00 179.24 179.04 2yua h GLU 87 N 0.26 0.04 0.13 3.56 4.57 -1.96 0.23 114.58 121.41 2yua h GLU 87 Ca 0.66 -0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.83 2yua h GLU 87 Cb 1.92 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 30.50 2yua h GLU 87 CO -0.30 0.03 -0.06 0.22 -1.18 0.00 0.00 179.01 177.71 2yua h ASP 88 N 0.04 -0.15 -0.66 1.04 3.58 -1.09 -0.94 116.42 118.26 2yua h ASP 88 Ca 0.85 -0.37 0.13 0.00 0.42 0.00 0.00 57.03 58.06 2yua h ASP 88 Cb 2.94 0.04 -0.12 0.00 1.72 0.00 0.00 39.33 43.91 2yua h ASP 88 CO -0.28 0.45 -0.15 -0.07 -2.88 0.00 0.00 179.24 176.31 2yua h LEU 89 N -0.92 -0.59 -0.68 2.28 3.38 -0.70 0.34 115.31 118.42 2yua h LEU 89 Ca -0.02 0.20 -0.09 0.00 0.09 0.00 0.00 57.88 58.06 2yua h LEU 89 Cb 0.51 0.40 -0.01 0.00 0.09 0.00 0.00 40.66 41.65 2yua h LEU 89 CO 0.03 -0.21 -0.41 0.08 0.09 0.00 0.00 178.44 178.02 2yua h ARG 90 N 0.01 0.00 0.00 1.13 0.11 -1.37 -3.49 114.38 110.77 2yua h ARG 90 Ca 0.32 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.40 2yua h ARG 90 Cb 0.49 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.57 2yua h ARG 90 CO -0.67 0.41 0.00 0.41 0.10 0.00 0.00 179.97 180.21 2yua n GLY 91 N 0.52 0.80 2.70 0.08 0.00 0.12 -4.77 105.19 104.64 2yua n GLY 91 Ca 0.00 -0.81 -0.23 0.00 0.00 0.00 0.00 46.02 44.99 2yua n GLY 91 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2yua n PRO 92 N 0.00 -2.67 0.00 1.61 -0.04 -1.26 -4.92 135.00 127.72 2yua n PRO 92 Ca 0.00 -1.35 0.00 0.00 -0.04 0.00 0.00 63.50 62.11 2yua n PRO 92 Cb 0.00 -1.26 0.00 0.00 -0.04 0.00 0.00 33.50 32.20 2yua n PRO 92 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2yua n GLY 93 N -3.12 2.35 3.55 0.55 0.00 -1.26 -5.04 105.19 102.22 2yua n GLY 93 Ca 0.12 -1.52 -0.32 0.00 0.00 0.00 0.00 46.02 44.29 2yua n GLY 93 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2yua s SER 94 N 0.00 4.49 0.00 1.61 0.01 -1.26 -4.89 113.70 113.66 2yua s SER 94 Ca 0.00 0.70 0.00 0.00 1.31 0.00 0.00 55.95 57.96 2yua s SER 94 Cb 0.00 -2.52 0.00 0.00 0.21 0.00 0.00 66.02 63.71 2yua s SER 94 CO 0.00 -2.98 0.00 0.61 0.41 0.00 0.00 173.24 171.28 2yua n GLY 95 N 6.14 6.54 3.76 3.44 0.00 -1.26 -5.11 105.19 118.70 2yua n GLY 95 Ca 0.36 -2.00 -0.41 0.00 0.00 0.00 0.00 46.02 43.98 2yua n GLY 95 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2yua s PRO 96 N 1.48 4.45 0.04 1.61 0.04 -1.26 -5.04 135.00 136.31 2yua s PRO 96 Ca 0.00 2.06 0.07 0.00 0.04 0.00 0.00 61.00 63.17 2yua s PRO 96 Cb 0.00 -3.14 -0.03 0.00 0.04 0.00 0.00 34.50 31.37 2yua s PRO 96 CO 0.00 -0.09 -0.19 -1.54 0.04 0.00 0.00 177.00 175.22 2yua s SER 97 N -0.38 3.73 1.18 6.66 1.04 -1.26 -5.12 113.70 119.55 2yua s SER 97 Ca 0.50 -0.44 -0.18 0.00 0.48 0.00 0.00 55.95 56.31 2yua s SER 97 Cb -0.37 -0.58 0.21 0.00 0.10 0.00 0.00 66.02 65.39 2yua s SER 97 CO 0.46 0.26 0.42 -1.20 0.98 0.00 0.00 173.24 174.15 2yua n SER 98 N 1.58 -2.77 0.00 7.02 7.64 -1.26 -5.35 113.62 120.49 2yua n SER 98 Ca -0.16 -0.35 0.00 0.00 1.01 0.00 0.00 58.87 59.37 2yua n SER 98 Cb 0.52 -0.97 0.00 0.00 -1.01 0.00 0.00 64.21 62.75 2yua n SER 98 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64