#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 1.51 0.47 1.61 0.01 -1.26 -5.09 113.70 110.96 2yua s SER 2 Ca 0.00 -1.31 -0.23 0.00 1.31 0.00 0.00 55.95 55.72 2yua s SER 2 Cb 0.00 0.08 -0.09 0.00 0.21 0.00 0.00 66.02 66.23 2yua s SER 2 CO 0.00 -0.64 1.07 -1.54 0.41 0.00 0.00 173.24 172.54 2yua n SER 3 N -0.45 1.49 -3.00 2.44 3.41 -1.26 -3.84 113.62 112.41 2yua n SER 3 Ca -0.02 0.99 -0.07 0.00 -0.26 0.00 0.00 58.87 59.50 2yua n SER 3 Cb 0.65 -1.41 0.01 0.00 -0.26 0.00 0.00 64.21 63.20 2yua n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2yua n GLY 4 N 1.11 -1.21 3.57 5.00 0.00 -1.26 -4.76 105.19 107.63 2yua n GLY 4 Ca 0.10 0.92 -0.63 0.00 0.00 0.00 0.00 46.02 46.41 2yua n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2yua n SER 5 N -0.97 0.71 -4.15 1.61 3.41 -1.25 -4.92 113.62 108.05 2yua n SER 5 Ca 0.04 1.15 -0.33 0.00 -0.26 0.00 0.00 58.87 59.47 2yua n SER 5 Cb 0.50 -0.88 -0.15 0.00 -0.26 0.00 0.00 64.21 63.41 2yua n SER 5 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2yua s SER 6 N 1.76 3.50 0.00 4.04 0.15 -1.26 -4.75 113.70 117.15 2yua s SER 6 Ca 0.97 -0.69 0.00 0.00 0.70 0.00 0.00 55.95 56.93 2yua s SER 6 Cb -1.38 -1.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.39 2yua s SER 6 CO 0.70 -0.03 0.00 0.61 1.20 0.00 0.00 173.24 175.72 2yua n GLY 7 N 4.63 0.74 3.63 9.45 0.00 -1.26 -5.00 105.19 117.38 2yua n GLY 7 Ca -0.20 -0.36 -0.43 0.00 0.00 0.00 0.00 46.02 45.04 2yua n GLY 7 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2yua s SER 8 N -2.99 6.90 -0.25 1.61 0.15 -1.26 -4.93 113.70 112.93 2yua s SER 8 Ca 0.00 0.98 -0.33 0.00 0.70 0.00 0.00 55.95 57.30 2yua s SER 8 Cb 0.00 -2.54 -0.15 0.00 -1.71 0.00 0.00 66.02 61.62 2yua s SER 8 CO 0.00 -0.91 1.05 1.67 1.20 0.00 0.00 173.24 176.25 2yua n GLN 9 N 6.94 0.00 -2.93 5.44 -0.06 -1.26 -4.86 117.38 120.65 2yua n GLN 9 Ca 0.12 0.00 -0.31 0.00 -2.00 0.00 0.00 57.00 54.81 2yua n GLN 9 Cb 0.47 -1.11 -0.03 0.00 -4.06 0.00 0.00 30.24 25.52 2yua n GLN 9 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2yua n GLY 10 N 2.34 5.63 2.74 1.69 0.00 -1.26 -4.97 105.19 111.36 2yua n GLY 10 Ca 0.20 -2.74 -0.28 0.00 0.00 0.00 0.00 46.02 43.20 2yua n GLY 10 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2yua s ASP 11 N -2.84 3.15 -0.85 1.61 2.15 -1.26 -5.06 116.67 113.57 2yua s ASP 11 Ca 0.45 -0.97 -0.19 0.00 0.43 0.00 0.00 52.55 52.27 2yua s ASP 11 Cb 0.24 -0.66 -0.21 0.00 -0.30 0.00 0.00 42.92 41.98 2yua s ASP 11 CO -0.11 -0.32 2.24 0.00 -0.17 0.00 0.00 175.17 176.81 2yua s SER 13 N 6.62 1.40 1.01 0.00 0.01 -1.26 -5.05 113.70 116.43 2yua s SER 13 Ca 1.01 0.96 -0.13 0.00 1.31 0.00 0.00 55.95 59.09 2yua s SER 13 Cb -0.36 -1.44 0.18 0.00 0.21 0.00 0.00 66.02 64.61 2yua s SER 13 CO 0.25 -3.87 1.01 0.00 0.41 0.00 0.00 173.24 171.04 2yua n TYR 14 N -4.63 -3.98 -0.04 2.43 0.18 -1.26 -4.98 117.16 104.88 2yua n TYR 14 Ca 0.09 -0.89 -0.15 0.00 1.88 0.00 0.00 57.90 58.82 2yua n TYR 14 Cb 0.58 -0.80 -0.08 0.00 -0.38 0.00 0.00 39.34 38.66 2yua n TYR 14 CO 0.00 0.00 0.00 0.77 -2.08 0.00 0.00 176.86 175.55 2yua h SER 15 N -1.42 0.58 -1.10 9.48 0.02 -1.99 -3.21 113.55 115.91 2yua h SER 15 Ca -0.33 -0.61 0.37 0.00 -0.84 0.00 0.00 61.79 60.38 2yua h SER 15 Cb 0.92 -0.17 -0.09 0.00 0.14 0.00 0.00 62.40 63.19 2yua h SER 15 CO 0.23 1.09 0.73 0.54 -1.14 0.00 0.00 176.83 178.28 2yua n ARG 16 N -4.30 -0.02 -2.53 3.45 5.12 -1.26 0.13 116.66 117.25 2yua n ARG 16 Ca -0.07 0.90 -0.22 0.00 -1.93 0.00 0.00 57.85 56.54 2yua n ARG 16 Cb 0.55 -1.83 0.01 0.00 -1.16 0.00 0.00 32.46 30.02 2yua n ARG 16 CO 0.00 0.00 0.00 -2.37 -1.93 0.00 0.00 177.63 173.33 2yua n THR 17 N -4.03 1.95 -0.06 0.55 5.66 -1.21 -4.85 114.28 112.29 2yua n THR 17 Ca 0.30 -4.36 -0.13 0.00 -3.05 0.00 0.00 64.05 56.81 2yua n THR 17 Cb 1.22 -0.68 -0.12 0.00 -1.55 0.00 0.00 70.33 69.20 2yua n THR 17 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2yua h ALA 18 N 2.71 -0.00 -0.42 1.79 0.00 0.10 -3.21 119.26 120.23 2yua h ALA 18 Ca 0.18 -0.45 0.12 0.00 0.00 0.00 0.00 54.91 54.76 2yua h ALA 18 Cb 1.00 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 2yua h ALA 18 CO 0.74 -0.03 0.89 -0.07 0.00 0.00 0.00 179.25 180.78 2yua h LEU 19 N -0.95 0.00 0.05 0.00 3.38 -1.89 1.67 115.31 117.57 2yua h LEU 19 Ca -0.00 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.66 2yua h LEU 19 Cb 0.91 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.63 2yua h LEU 19 CO 0.00 0.00 -1.70 1.88 0.09 0.00 0.00 178.44 178.71 2yua h TYR 20 N 0.00 0.20 0.00 1.13 -1.99 -1.86 -3.34 116.97 111.11 2yua h TYR 20 Ca 0.20 -0.14 -0.05 0.00 2.00 0.00 0.00 58.73 60.74 2yua h TYR 20 Cb 1.97 -0.01 -0.01 0.00 2.00 0.00 0.00 36.73 40.69 2yua h TYR 20 CO 0.00 1.26 -0.21 0.22 -0.00 0.00 0.00 178.16 179.42 2yua h ASP 21 N 0.03 0.00 0.21 3.88 3.58 0.24 0.22 116.42 124.59 2yua h ASP 21 Ca -0.29 0.00 -0.15 0.00 0.42 0.00 0.00 57.03 57.01 2yua h ASP 21 Cb 2.00 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 43.04 2yua h ASP 21 CO 0.10 0.21 -0.55 -0.07 -2.88 0.00 0.00 179.24 176.05 2yua h LEU 22 N 0.00 0.40 0.00 2.28 4.07 -1.41 -3.34 115.31 117.32 2yua h LEU 22 Ca -0.00 -0.22 -0.31 0.00 0.08 0.00 0.00 57.88 57.43 2yua h LEU 22 Cb 0.68 -0.12 -0.05 0.00 1.08 0.00 0.00 40.66 42.25 2yua h LEU 22 CO 0.03 0.88 -1.70 0.18 -1.08 0.00 0.00 178.44 176.74 2yua n LEU 23 N -3.93 1.92 0.00 1.67 4.32 -1.08 -4.98 117.00 114.92 2yua n LEU 23 Ca -0.03 0.38 0.00 0.00 -0.02 0.00 0.00 56.01 56.35 2yua n LEU 23 Cb 0.59 -0.92 0.00 0.00 -1.62 0.00 0.00 43.42 41.47 2yua n LEU 23 CO 0.45 0.39 0.00 0.61 -1.22 0.00 0.00 177.39 177.62 2yua n GLY 24 N 1.40 1.95 3.44 -0.72 0.00 0.76 -4.77 105.19 107.26 2yua n GLY 24 Ca -0.39 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.34 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 2.55 0.79 1.61 -7.23 -1.09 -4.91 120.40 110.12 2yua s VAL 25 Ca 0.00 -1.72 -0.11 0.00 -1.81 0.00 0.00 61.98 58.34 2yua s VAL 25 Cb 0.00 -2.17 0.07 0.00 0.56 0.00 0.00 36.38 34.84 2yua s VAL 25 CO 0.00 0.04 1.09 -2.16 -0.31 0.00 0.00 175.10 173.76 2yua s PRO 26 N -2.27 2.08 0.00 4.82 0.04 -1.26 -4.64 135.00 133.77 2yua s PRO 26 Ca 0.18 1.11 0.10 0.00 0.04 0.00 0.00 61.00 62.42 2yua s PRO 26 Cb -0.10 -1.88 0.41 0.00 0.04 0.00 0.00 34.50 32.97 2yua s PRO 26 CO 0.09 -1.75 1.31 0.45 0.04 0.00 0.00 177.00 177.14 2yua n SER 27 N -3.59 0.01 -0.46 6.66 2.88 -1.26 -1.52 113.62 116.35 2yua n SER 27 Ca 0.09 0.50 0.08 0.00 -1.33 0.00 0.00 58.87 58.21 2yua n SER 27 Cb 0.53 -0.51 0.19 0.00 -0.75 0.00 0.00 64.21 63.68 2yua n SER 27 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 2yua n THR 28 N -1.51 2.09 -0.93 2.46 -2.24 -1.26 -5.05 114.28 107.84 2yua n THR 28 Ca 0.02 -2.23 -0.30 0.00 -2.27 0.00 0.00 64.05 59.28 2yua n THR 28 Cb 0.11 -0.25 0.25 0.00 -2.10 0.00 0.00 70.33 68.34 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 -2.91 0.31 0.42 6.98 0.00 -0.58 -5.08 121.76 120.91 2yua s ALA 29 Ca 0.37 -0.92 0.05 0.00 0.00 0.00 0.00 51.96 51.46 2yua s ALA 29 Cb 0.32 -2.90 -0.06 0.00 0.00 0.00 0.00 23.12 20.48 2yua s ALA 29 CO 0.04 -3.81 0.02 -0.08 0.00 0.00 0.00 175.76 171.93 2yua s THR 30 N -2.85 1.64 0.18 0.00 -1.32 -1.26 -4.95 115.64 107.08 2yua s THR 30 Ca 0.70 -2.00 -0.22 0.00 -1.21 0.00 0.00 61.69 58.97 2yua s THR 30 Cb -0.11 -2.75 0.09 0.00 -1.51 0.00 0.00 72.50 68.23 2yua s THR 30 CO 0.57 0.00 1.59 1.56 -2.21 0.00 0.00 174.62 176.13 2yua h GLN 31 N 1.72 -0.19 -0.73 7.08 7.50 -1.95 0.15 115.11 128.68 2yua h GLN 31 Ca -0.43 0.01 0.16 0.00 0.50 0.00 0.00 58.65 58.89 2yua h GLN 31 Cb 1.26 0.04 -0.13 0.00 0.05 0.00 0.00 27.48 28.71 2yua h GLN 31 CO 0.77 -0.13 -0.01 0.00 -1.50 0.00 0.00 178.83 177.96 2yua h ALA 32 N 0.89 0.72 0.40 3.87 0.00 -1.99 0.07 119.26 123.22 2yua h ALA 32 Ca 0.20 0.24 -0.02 0.00 0.00 0.00 0.00 54.91 55.33 2yua h ALA 32 Cb 0.54 0.41 0.00 0.00 0.00 0.00 0.00 17.79 18.75 2yua h ALA 32 CO -0.61 -0.42 -0.19 1.96 0.00 0.00 0.00 179.25 179.99 2yua h GLN 33 N 0.09 -0.52 -0.64 0.00 4.20 -1.43 0.10 115.11 116.92 2yua h GLN 33 Ca 0.39 0.04 0.19 0.00 0.06 0.00 0.00 58.65 59.32 2yua h GLN 33 Cb 0.67 0.12 -0.03 0.00 0.30 0.00 0.00 27.48 28.54 2yua h GLN 33 CO -0.65 -0.34 0.97 0.82 -0.67 0.00 0.00 178.83 178.96 2yua h ILE 34 N -0.76 0.06 0.00 2.54 2.04 -0.47 -0.48 117.51 120.44 2yua h ILE 34 Ca -0.05 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.81 2yua h ILE 34 Cb 0.41 0.17 0.00 0.00 -0.74 0.00 0.00 36.82 36.66 2yua h ILE 34 CO 0.09 0.00 -0.18 0.50 0.00 0.00 0.00 178.15 178.56 2yua h LYS 35 N 0.00 0.00 -0.99 2.37 3.64 -0.85 -3.29 116.57 117.45 2yua h LYS 35 Ca 0.30 0.00 0.35 0.00 -1.27 0.00 0.00 60.65 60.03 2yua h LYS 35 Cb 2.25 0.00 -0.18 0.00 -0.41 0.00 0.00 32.23 33.88 2yua h LYS 35 CO -0.00 0.00 0.28 0.00 -2.27 0.00 0.00 179.45 177.45 2yua n ALA 36 N -2.75 0.76 0.03 5.00 0.00 0.35 0.52 120.51 124.42 2yua n ALA 36 Ca -0.03 1.04 -0.12 0.00 0.00 0.00 0.00 53.44 54.33 2yua n ALA 36 Cb 0.10 -0.90 -0.07 0.00 0.00 0.00 0.00 19.45 18.58 2yua n ALA 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2yua h ALA 37 N 1.99 0.02 -0.86 0.00 0.00 -1.32 -2.36 119.26 116.72 2yua h ALA 37 Ca 0.72 -0.03 0.21 0.00 0.00 0.00 0.00 54.91 55.82 2yua h ALA 37 Cb 1.74 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 19.47 2yua h ALA 37 CO -0.85 -0.46 0.59 -0.92 0.00 0.00 0.00 179.25 177.61 2yua h TYR 38 N -0.04 0.33 0.67 0.00 3.20 0.00 -2.29 116.97 118.84 2yua h TYR 38 Ca 0.00 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.85 2yua h TYR 38 Cb 0.06 -0.10 0.01 0.00 1.54 0.00 0.00 36.73 38.23 2yua h TYR 38 CO -0.06 0.09 -0.32 1.88 -1.64 0.00 0.00 178.16 178.11 2yua h TYR 39 N 0.25 -0.83 -0.73 -3.82 0.05 -0.89 -3.18 116.97 107.82 2yua h TYR 39 Ca 0.43 -0.02 0.18 0.00 0.05 0.00 0.00 58.73 59.37 2yua h TYR 39 Cb 1.30 0.27 -0.14 0.00 1.01 0.00 0.00 36.73 39.18 2yua h TYR 39 CO -0.00 -0.52 -0.07 0.54 -1.05 0.00 0.00 178.16 177.07 2yua n ARG 40 N -5.23 -0.06 -0.12 4.88 3.00 -0.87 0.19 116.66 118.46 2yua n ARG 40 Ca -0.11 1.11 -0.05 0.00 -0.01 0.00 0.00 57.85 58.79 2yua n ARG 40 Cb 0.35 -1.71 0.03 0.00 0.00 0.00 0.00 32.46 31.13 2yua n ARG 40 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.63 179.59 2yua h GLN 41 N 0.00 0.21 -0.39 5.56 1.08 -1.53 0.21 115.11 120.25 2yua h GLN 41 Ca 0.40 -0.01 0.06 0.00 -1.45 0.00 0.00 58.65 57.65 2yua h GLN 41 Cb 0.75 -0.05 -0.09 0.00 -0.05 0.00 0.00 27.48 28.05 2yua h GLN 41 CO -0.71 0.14 -0.46 0.00 -0.95 0.00 0.00 178.83 176.85 2yua h PHE 43 N -0.36 -0.26 -1.01 0.00 3.04 -1.31 -2.81 116.94 114.24 2yua h PHE 43 Ca 0.12 -0.01 0.29 0.00 3.98 0.00 0.00 57.97 62.36 2yua h PHE 43 Cb 0.59 0.09 -0.04 0.00 2.56 0.00 0.00 35.95 39.15 2yua h PHE 43 CO -0.64 0.05 0.82 -0.07 -2.02 0.00 0.00 178.31 176.45 2yua h LEU 44 N -0.58 0.00 -6.59 0.59 3.38 -0.18 -2.85 115.31 109.09 2yua h LEU 44 Ca -0.03 0.00 -0.60 0.00 0.09 0.00 0.00 57.88 57.34 2yua h LEU 44 Cb 0.43 0.00 -0.40 0.00 0.09 0.00 0.00 40.66 40.77 2yua h LEU 44 CO 0.05 0.00 -0.79 -1.22 0.09 0.00 0.00 178.44 176.57 2yua n TYR 45 N -3.95 1.34 -2.68 1.13 4.02 0.68 -5.06 117.16 112.65 2yua n TYR 45 Ca 0.22 -3.83 -0.34 0.00 -0.01 0.00 0.00 57.90 53.93 2yua n TYR 45 Cb 1.16 -0.25 -0.05 0.00 -0.02 0.00 0.00 39.34 40.18 2yua n TYR 45 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 176.86 174.84 2yua s HIS 46 N -0.99 3.15 0.18 -0.72 3.76 -1.08 -4.74 115.29 114.85 2yua s HIS 46 Ca 0.31 1.59 0.28 0.00 -0.15 0.00 0.00 55.06 57.10 2yua s HIS 46 Cb 0.03 -2.96 1.19 0.00 1.11 0.00 0.00 32.58 31.95 2yua s HIS 46 CO -0.16 -0.48 1.93 -1.00 -0.85 0.00 0.00 174.74 174.18 2yua h PRO 47 N 1.75 0.00 0.06 8.40 0.13 -1.86 -3.14 132.00 137.33 2yua h PRO 47 Ca -0.49 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.63 2yua h PRO 47 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2yua h PRO 47 CO 0.60 0.13 -0.03 0.22 -0.23 0.00 0.00 178.00 178.69 2yua h ASP 48 N 0.00 -0.07 -0.71 1.44 3.58 -2.00 -3.36 116.42 115.30 2yua h ASP 48 Ca -0.00 -0.20 0.13 0.00 0.42 0.00 0.00 57.03 57.37 2yua h ASP 48 Cb 0.59 0.02 -0.13 0.00 1.72 0.00 0.00 39.33 41.53 2yua h ASP 48 CO 0.02 0.51 -0.31 0.03 -2.88 0.00 0.00 179.24 176.61 2yua h ARG 49 N -1.01 -0.09 -5.51 0.28 2.47 -1.97 -3.34 114.38 105.21 2yua h ARG 49 Ca -0.01 0.01 -0.63 0.00 -1.26 0.00 0.00 59.98 58.09 2yua h ARG 49 Cb 0.27 0.02 -0.13 0.00 -1.65 0.00 0.00 29.97 28.48 2yua h ARG 49 CO 0.01 -0.06 0.17 -0.80 0.56 0.00 0.00 179.97 179.85 2yua s ASN 50 N -5.22 6.43 -1.00 7.04 0.01 -1.19 -5.00 114.94 116.01 2yua s ASN 50 Ca -0.14 0.14 -0.18 0.00 -0.71 0.00 0.00 52.86 51.96 2yua s ASN 50 Cb 0.18 -2.33 0.12 0.00 0.41 0.00 0.00 41.25 39.63 2yua s ASN 50 CO 0.71 -0.62 1.25 -0.44 -1.51 0.00 0.00 177.10 176.49 2yua s SER 51 N 1.81 6.70 -1.03 -1.22 0.01 -1.26 -4.54 113.70 114.17 2yua s SER 51 Ca 0.25 -2.15 -0.16 0.00 1.31 0.00 0.00 55.95 55.20 2yua s SER 51 Cb -0.14 -2.43 0.00 0.00 0.21 0.00 0.00 66.02 63.66 2yua s SER 51 CO 0.15 -1.07 0.72 0.61 0.41 0.00 0.00 173.24 174.06 2yua n GLY 52 N 5.44 -1.07 3.89 3.44 0.00 -1.26 -4.97 105.19 110.66 2yua n GLY 52 Ca 0.28 0.47 -0.31 0.00 0.00 0.00 0.00 46.02 46.47 2yua n GLY 52 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2yua s SER 53 N -3.31 6.21 0.01 1.61 0.15 -1.26 -5.04 113.70 112.07 2yua s SER 53 Ca 0.31 0.22 -0.26 0.00 0.70 0.00 0.00 55.95 56.92 2yua s SER 53 Cb -0.13 -1.87 -0.16 0.00 -1.71 0.00 0.00 66.02 62.15 2yua s SER 53 CO 0.88 0.17 1.23 0.00 1.20 0.00 0.00 173.24 176.72 2yua h ALA 54 N 3.08 -0.52 -0.16 5.45 0.00 -1.98 -0.94 119.26 124.19 2yua h ALA 54 Ca -0.45 -0.18 0.04 0.00 0.00 0.00 0.00 54.91 54.31 2yua h ALA 54 Cb 1.16 0.20 -0.07 0.00 0.00 0.00 0.00 17.79 19.09 2yua h ALA 54 CO 0.74 -0.64 -0.52 0.93 0.00 0.00 0.00 179.25 179.77 2yua h GLU 55 N -0.84 -0.53 -0.58 0.00 3.07 -2.00 0.26 114.58 113.97 2yua h GLU 55 Ca -0.05 0.04 0.06 0.00 -0.50 0.00 0.00 59.36 58.90 2yua h GLU 55 Cb 0.54 0.12 -0.03 0.00 -0.84 0.00 0.00 28.75 28.54 2yua h GLU 55 CO 0.09 -0.35 0.38 0.00 -1.40 0.00 0.00 179.01 177.73 2yua h ALA 56 N -0.17 1.83 -1.48 3.43 0.00 -1.99 -1.08 119.26 119.80 2yua h ALA 56 Ca 0.05 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2yua h ALA 56 Cb 0.67 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2yua h ALA 56 CO -0.44 0.08 0.00 0.00 0.00 0.00 0.00 179.25 178.88 2yua n ALA 57 N -2.48 -0.24 -0.34 0.00 0.00 -0.06 -0.30 120.51 117.09 2yua n ALA 57 Ca 0.08 0.00 0.19 0.00 0.00 0.00 0.00 53.44 53.71 2yua n ALA 57 Cb 0.23 0.00 0.42 0.00 0.00 0.00 0.00 19.45 20.11 2yua n ALA 57 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 2yua h GLU 58 N 0.00 0.50 0.27 0.00 4.11 -1.18 -2.37 114.58 115.92 2yua h GLU 58 Ca 0.00 -0.03 -0.01 0.00 0.07 0.00 0.00 59.36 59.39 2yua h GLU 58 Cb 0.00 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.14 2yua h GLU 58 CO 0.00 0.33 -0.13 -0.09 0.07 0.00 0.00 179.01 179.19 2yua h ARG 59 N 0.52 -0.36 -0.80 1.06 9.65 -1.17 -2.42 114.38 120.86 2yua h ARG 59 Ca 0.64 0.02 0.14 0.00 -1.10 0.00 0.00 59.98 59.69 2yua h ARG 59 Cb 1.34 0.08 -0.14 0.00 -1.39 0.00 0.00 29.97 29.86 2yua h ARG 59 CO -0.44 -0.24 -0.26 0.34 2.80 0.00 0.00 179.97 182.17 2yua n PHE 60 N -3.07 0.16 0.13 2.20 7.35 0.59 -0.77 117.46 124.05 2yua n PHE 60 Ca -0.05 0.98 -0.09 0.00 -0.76 0.00 0.00 57.45 57.53 2yua n PHE 60 Cb 0.15 -0.88 -0.05 0.00 0.35 0.00 0.00 39.48 39.04 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 0.00 -0.78 -2.13 2.02 -1.45 -2.34 112.91 108.23 2yua h THR 61 Ca 0.33 0.00 0.14 0.00 0.77 0.00 0.00 66.41 67.65 2yua h THR 61 Cb 0.53 0.00 -0.14 0.00 -1.74 0.00 0.00 68.15 66.80 2yua h THR 61 CO -0.81 0.00 -0.32 0.03 0.37 0.00 0.00 175.52 174.79 2yua h ARG 62 N -0.50 -0.07 -0.68 6.66 3.08 -0.43 0.13 114.38 122.58 2yua h ARG 62 Ca -0.03 0.00 0.13 0.00 0.07 0.00 0.00 59.98 60.16 2yua h ARG 62 Cb 0.44 0.02 -0.13 0.00 0.08 0.00 0.00 29.97 30.38 2yua h ARG 62 CO -0.06 -0.05 -0.20 0.82 -1.07 0.00 0.00 179.97 179.42 2yua h ILE 63 N -0.07 0.28 -0.73 2.04 2.04 -0.93 0.15 117.51 120.30 2yua h ILE 63 Ca 0.31 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.24 2yua h ILE 63 Cb 0.58 0.28 -0.06 0.00 -0.74 0.00 0.00 36.82 36.88 2yua h ILE 63 CO -0.83 0.00 0.41 -1.28 0.00 0.00 0.00 178.15 176.45 2yua h SER 64 N -0.03 0.59 -0.84 1.72 0.87 -0.22 -1.71 113.55 113.93 2yua h SER 64 Ca 0.32 0.04 0.11 0.00 -1.23 0.00 0.00 61.79 61.02 2yua h SER 64 Cb 0.51 -0.08 -0.08 0.00 -0.44 0.00 0.00 62.40 62.32 2yua h SER 64 CO -0.71 0.37 0.48 1.56 -0.53 0.00 0.00 176.83 177.99 2yua h GLN 65 N 0.72 0.74 -0.18 2.24 4.20 -0.11 0.71 115.11 123.44 2yua h GLN 65 Ca 0.33 -0.04 0.05 0.00 0.06 0.00 0.00 58.65 59.05 2yua h GLN 65 Cb 0.25 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 27.85 2yua h GLN 65 CO -0.21 0.49 0.14 0.00 -0.67 0.00 0.00 178.83 178.58 2yua h ALA 66 N 1.49 2.10 -0.09 3.87 0.00 -0.71 0.14 119.26 126.05 2yua h ALA 66 Ca 0.42 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.33 2yua h ALA 66 Cb 0.45 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.25 2yua h ALA 66 CO -0.28 -0.23 0.00 0.98 0.00 0.00 0.00 179.25 179.72 2yua n TYR 67 N -4.37 0.19 0.00 0.00 9.36 0.24 -3.33 117.16 119.26 2yua n TYR 67 Ca 0.01 -0.08 0.00 0.00 3.32 0.00 0.00 57.90 61.15 2yua n TYR 67 Cb 0.27 -0.06 0.00 0.00 -0.63 0.00 0.00 39.34 38.92 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 -0.10 0.00 0.06 2.97 0.31 0.49 -3.14 118.33 118.93 2yua n VAL 68 Ca 0.04 0.23 0.20 0.00 -0.01 0.00 0.00 64.34 64.79 2yua n VAL 68 Cb 0.19 -1.18 0.73 0.00 -0.91 0.00 0.00 33.84 32.67 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 0.60 0.00 2.52 2.07 -1.72 -0.58 116.25 119.14 2yua h VAL 69 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 2yua h VAL 69 Cb 0.00 0.74 0.00 0.00 -1.52 0.00 0.00 31.29 30.51 2yua h VAL 69 CO 0.00 0.00 -1.55 0.18 0.02 0.00 0.00 177.57 176.22 2yua n LEU 70 N -4.11 0.16 -0.35 2.57 4.77 -1.21 -2.84 117.00 115.99 2yua n LEU 70 Ca 0.08 -0.11 0.28 0.00 -0.03 0.00 0.00 56.01 56.23 2yua n LEU 70 Cb 0.55 0.00 0.58 0.00 -2.33 0.00 0.00 43.42 42.22 2yua n LEU 70 CO 0.33 0.04 1.24 1.23 -1.33 0.00 0.00 177.39 178.90 2yua h GLY 71 N 3.19 1.02 -2.57 -0.72 0.00 -1.04 -3.41 103.07 99.54 2yua h GLY 71 Ca 0.00 -0.15 -0.60 0.00 0.00 0.00 0.00 47.33 46.57 2yua h GLY 71 CO 0.00 -0.16 -0.73 -0.45 0.00 0.00 0.00 176.54 175.20 2yua s SER 72 N -5.10 3.91 0.13 0.19 0.15 -1.24 -5.00 113.70 106.74 2yua s SER 72 Ca -0.08 -0.85 -0.07 0.00 0.70 0.00 0.00 55.95 55.66 2yua s SER 72 Cb 0.26 -0.50 -0.08 0.00 -1.71 0.00 0.00 66.02 64.00 2yua s SER 72 CO 0.80 0.05 1.33 0.00 1.20 0.00 0.00 173.24 176.62 2yua h ALA 73 N 2.35 0.40 -0.05 5.45 0.00 -1.91 -3.28 119.26 122.21 2yua h ALA 73 Ca -0.43 -0.65 0.00 0.00 0.00 0.00 0.00 54.91 53.84 2yua h ALA 73 Cb 1.24 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.01 2yua h ALA 73 CO 0.58 0.75 0.00 2.41 0.00 0.00 0.00 179.25 182.99 2yua n THR 74 N -3.84 0.00 -0.26 0.00 -1.04 -1.26 -3.02 114.28 104.87 2yua n THR 74 Ca -0.07 1.49 0.05 0.00 -2.04 0.00 0.00 64.05 63.49 2yua n THR 74 Cb 0.78 -2.47 0.12 0.00 -1.82 0.00 0.00 70.33 66.93 2yua n THR 74 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 2yua n LEU 75 N -2.02 -0.23 -0.23 -4.42 4.77 -1.26 0.14 117.00 113.75 2yua n LEU 75 Ca 0.00 1.23 -0.01 0.00 -0.03 0.00 0.00 56.01 57.20 2yua n LEU 75 Cb 0.00 -0.38 0.06 0.00 -2.33 0.00 0.00 43.42 40.77 2yua n LEU 75 CO 0.00 -1.19 0.71 0.03 -1.33 0.00 0.00 177.39 175.61 2yua h ARG 76 N 0.00 -0.03 -0.93 3.23 3.08 -1.43 0.26 114.38 118.56 2yua h ARG 76 Ca 0.36 0.00 0.06 0.00 0.07 0.00 0.00 59.98 60.47 2yua h ARG 76 Cb 0.58 0.01 -0.06 0.00 0.08 0.00 0.00 29.97 30.57 2yua h ARG 76 CO -0.73 -0.02 0.59 0.07 -1.07 0.00 0.00 179.97 178.81 2yua h ARG 77 N -0.03 1.04 -0.77 0.04 0.11 0.12 -1.77 114.38 113.11 2yua h ARG 77 Ca 0.31 -0.06 -0.02 0.00 0.10 0.00 0.00 59.98 60.31 2yua h ARG 77 Cb 0.51 -0.23 -0.04 0.00 1.11 0.00 0.00 29.97 31.32 2yua h ARG 77 CO -0.71 0.69 0.40 0.87 0.10 0.00 0.00 179.97 181.32 2yua h LYS 78 N 1.07 1.10 -0.56 0.08 1.57 -0.28 -2.19 116.57 117.36 2yua h LYS 78 Ca 0.40 -0.15 0.01 0.00 -1.87 0.00 0.00 60.65 59.05 2yua h LYS 78 Cb 0.17 -0.21 -0.03 0.00 0.08 0.00 0.00 32.23 32.24 2yua h LYS 78 CO -0.17 0.84 0.36 -0.92 -0.57 0.00 0.00 179.45 178.98 2yua h TYR 79 N 1.08 0.68 0.00 -1.35 3.20 -0.28 0.41 116.97 120.71 2yua h TYR 79 Ca 0.27 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.16 2yua h TYR 79 Cb 0.08 -0.23 0.00 0.00 1.54 0.00 0.00 36.73 38.12 2yua h TYR 79 CO 0.01 0.41 0.00 0.22 -1.64 0.00 0.00 178.16 177.16 2yua h ASP 80 N 0.72 0.00 -0.42 -2.11 1.82 -1.14 -2.12 116.42 113.17 2yua h ASP 80 Ca 0.21 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.85 2yua h ASP 80 Cb -0.04 0.00 0.00 0.00 0.68 0.00 0.00 39.33 39.97 2yua h ASP 80 CO -0.07 0.00 0.00 0.54 -1.61 0.00 0.00 179.24 178.10 2yua n ARG 81 N -2.70 2.82 -1.73 0.28 5.12 -0.35 -4.95 116.66 115.14 2yua n ARG 81 Ca 0.01 -2.16 -0.17 0.00 -1.93 0.00 0.00 57.85 53.60 2yua n ARG 81 Cb 0.24 -1.33 -0.05 0.00 -1.16 0.00 0.00 32.46 30.16 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 0.74 1.03 0.16 -0.13 0.00 0.60 -4.81 105.19 102.78 2yua n GLY 82 Ca 0.14 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.28 2yua n GLY 82 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2yua h LEU 83 N 0.00 0.00-10.14 0.99 3.38 -0.61 -3.47 115.31 105.46 2yua h LEU 83 Ca -0.35 -0.01 -0.52 0.00 0.09 0.00 0.00 57.88 57.09 2yua h LEU 83 Cb 1.14 0.00 0.11 0.00 0.09 0.00 0.00 40.66 42.00 2yua h LEU 83 CO 0.49 0.00 0.41 -0.22 0.09 0.00 0.00 178.44 179.22 2yua s LEU 84 N -5.66 3.53 0.10 1.67 2.96 -1.19 -4.97 118.68 115.11 2yua s LEU 84 Ca 0.03 2.19 -0.07 0.00 -0.22 0.00 0.00 54.13 56.06 2yua s LEU 84 Cb 0.08 -4.58 -0.01 0.00 0.50 0.00 0.00 46.19 42.18 2yua s LEU 84 CO 0.73 -1.63 0.16 -0.55 -1.32 0.00 0.00 176.35 173.74 2yua s SER 85 N -2.07 0.18 0.49 3.68 0.15 -1.26 -5.00 113.70 109.88 2yua s SER 85 Ca 0.72 -0.79 0.28 0.00 0.70 0.00 0.00 55.95 56.86 2yua s SER 85 Cb -0.25 0.33 1.35 0.00 -1.71 0.00 0.00 66.02 65.75 2yua s SER 85 CO 0.37 -0.74 1.85 0.44 1.20 0.00 0.00 173.24 176.36 2yua h ASP 86 N 2.79 0.15 -1.34 5.45 3.32 -2.01 0.70 116.42 125.48 2yua h ASP 86 Ca -0.34 0.02 0.39 0.00 0.02 0.00 0.00 57.03 57.12 2yua h ASP 86 Cb 1.19 -0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.69 2yua h ASP 86 CO 0.57 0.05 0.98 -0.08 -1.72 0.00 0.00 179.24 179.03 2yua h GLU 87 N 0.14 0.00 -0.39 3.56 4.57 -1.97 0.93 114.58 121.43 2yua h GLU 87 Ca 0.48 0.00 -0.11 0.00 -1.18 0.00 0.00 59.36 58.55 2yua h GLU 87 Cb 1.66 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 30.24 2yua h GLU 87 CO -0.09 0.00 -0.22 0.38 -1.18 0.00 0.00 179.01 177.90 2yua h ASP 88 N 0.00 0.78 0.00 1.04 3.04 -1.27 -2.40 116.42 117.62 2yua h ASP 88 Ca 0.64 -0.28 0.00 0.00 -3.24 0.00 0.00 57.03 54.15 2yua h ASP 88 Cb 2.59 -0.21 0.00 0.00 -1.04 0.00 0.00 39.33 40.66 2yua h ASP 88 CO -0.01 0.98 -0.19 -0.07 -2.04 0.00 0.00 179.24 177.91 2yua h LEU 89 N 0.67 0.00 -1.18 0.15 3.38 0.59 -3.38 115.31 115.54 2yua h LEU 89 Ca 0.09 0.00 0.41 0.00 0.09 0.00 0.00 57.88 58.47 2yua h LEU 89 Cb 0.73 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.33 2yua h LEU 89 CO 0.06 0.30 0.69 0.08 0.09 0.00 0.00 178.44 179.66 2yua h ARG 90 N -0.41 0.09 -3.86 1.13 -0.00 -0.95 -3.47 114.38 106.92 2yua h ARG 90 Ca 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 59.98 59.97 2yua h ARG 90 Cb 0.19 -0.02 0.00 0.00 -0.00 0.00 0.00 29.97 30.14 2yua h ARG 90 CO 0.00 0.06 -0.96 0.41 -0.00 0.00 0.00 179.97 179.48 2yua n GLY 91 N -1.38 -4.20 3.66 0.08 0.00 -0.90 -4.75 105.19 97.70 2yua n GLY 91 Ca 0.37 -0.73 -0.42 0.00 0.00 0.00 0.00 46.02 45.23 2yua n GLY 91 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2yua s PRO 92 N -4.69 4.20 -0.24 1.61 0.04 -1.26 -4.97 135.00 129.70 2yua s PRO 92 Ca 0.00 2.01 -0.29 0.00 0.04 0.00 0.00 61.00 62.76 2yua s PRO 92 Cb 0.00 -3.89 -0.01 0.00 0.04 0.00 0.00 34.50 30.64 2yua s PRO 92 CO 0.00 -0.79 1.27 0.20 0.04 0.00 0.00 177.00 177.72 2yua s GLY 93 N 2.83 1.52 0.35 0.56 0.00 -1.26 -5.01 107.32 106.31 2yua s GLY 93 Ca 0.67 0.27 0.04 0.00 0.00 0.00 0.00 44.72 45.69 2yua s GLY 93 CO 0.25 2.53 0.08 -1.35 0.00 0.00 0.00 173.10 174.60 2yua s SER 94 N 2.35 2.49 0.75 1.64 1.04 -1.26 -5.16 113.70 115.56 2yua s SER 94 Ca 0.55 -1.48 -0.11 0.00 0.48 0.00 0.00 55.95 55.39 2yua s SER 94 Cb -0.19 0.13 0.05 0.00 0.10 0.00 0.00 66.02 66.10 2yua s SER 94 CO 0.18 -0.72 1.13 -0.83 0.98 0.00 0.00 173.24 173.98 2yua s GLY 95 N -3.53 1.61 0.10 7.32 0.00 -1.26 -5.01 107.32 106.56 2yua s GLY 95 Ca 0.32 -0.52 -0.31 0.00 0.00 0.00 0.00 44.72 44.21 2yua s GLY 95 CO 0.15 -0.09 1.37 2.56 0.00 0.00 0.00 173.10 177.08 2yua s PRO 96 N -5.45 4.33 0.47 2.90 0.04 -1.26 -4.96 135.00 131.07 2yua s PRO 96 Ca 0.60 2.03 -0.22 0.00 0.04 0.00 0.00 61.00 63.46 2yua s PRO 96 Cb -0.11 -3.28 -0.10 0.00 0.04 0.00 0.00 34.50 31.06 2yua s PRO 96 CO 0.50 -0.42 0.78 0.43 0.04 0.00 0.00 177.00 178.32 2yua n SER 97 N 4.02 0.12 -4.58 6.66 7.64 -1.26 -4.82 113.62 121.41 2yua n SER 97 Ca 0.11 0.91 -0.41 0.00 1.01 0.00 0.00 58.87 60.49 2yua n SER 97 Cb 0.43 -1.25 -0.03 0.00 -1.01 0.00 0.00 64.21 62.35 2yua n SER 97 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2yua s SER 98 N -0.96 5.69 0.00 6.43 0.01 -1.26 -5.33 113.70 118.28 2yua s SER 98 Ca 0.66 0.83 0.00 0.00 1.31 0.00 0.00 55.95 58.75 2yua s SER 98 Cb -0.53 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.18 2yua s SER 98 CO 0.55 -1.96 0.51 0.61 0.41 0.00 0.00 173.24 173.37