#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 0.33 -0.40 1.61 1.04 -1.26 -5.13 113.70 109.90 2yua s SER 2 Ca 0.00 -0.71 0.01 0.00 0.48 0.00 0.00 55.95 55.73 2yua s SER 2 Cb 0.00 0.16 0.11 0.00 0.10 0.00 0.00 66.02 66.39 2yua s SER 2 CO 0.00 -0.46 0.14 -0.55 0.98 0.00 0.00 173.24 173.35 2yua s SER 3 N -2.18 4.90 0.00 7.02 0.15 -1.26 -4.97 113.70 117.37 2yua s SER 3 Ca -0.05 -2.25 0.00 0.00 0.70 0.00 0.00 55.95 54.35 2yua s SER 3 Cb -0.01 -1.71 0.00 0.00 -1.71 0.00 0.00 66.02 62.59 2yua s SER 3 CO -0.05 -0.42 0.00 0.61 1.20 0.00 0.00 173.24 174.58 2yua n GLY 4 N 4.19 1.25 3.54 9.45 0.00 -1.26 -5.01 105.19 117.35 2yua n GLY 4 Ca 0.02 -0.13 -0.34 0.00 0.00 0.00 0.00 46.02 45.57 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 1.75 -4.57 1.61 2.88 -1.26 -4.91 113.62 109.11 2yua n SER 5 Ca 0.00 -0.47 -0.26 0.00 -1.33 0.00 0.00 58.87 56.81 2yua n SER 5 Cb 0.00 -1.43 -0.09 0.00 -0.75 0.00 0.00 64.21 61.94 2yua n SER 5 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2yua s SER 6 N 11.14 4.25 0.00 -3.46 1.04 -1.26 -5.08 113.70 120.33 2yua s SER 6 Ca 1.06 -0.60 0.00 0.00 0.48 0.00 0.00 55.95 56.89 2yua s SER 6 Cb -0.41 -0.71 0.00 0.00 0.10 0.00 0.00 66.02 65.00 2yua s SER 6 CO 0.30 0.09 0.00 0.61 0.98 0.00 0.00 173.24 175.22 2yua n GLY 7 N -0.08 2.72 4.02 7.32 0.00 -1.26 -5.11 105.19 112.81 2yua n GLY 7 Ca -0.10 -2.04 -0.20 0.00 0.00 0.00 0.00 46.02 43.68 2yua n GLY 7 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2yua s SER 8 N 0.00 5.14 -0.18 1.61 0.01 -1.26 -5.11 113.70 113.91 2yua s SER 8 Ca 0.00 -0.65 -0.01 0.00 1.31 0.00 0.00 55.95 56.60 2yua s SER 8 Cb 0.00 -0.02 0.01 0.00 0.21 0.00 0.00 66.02 66.22 2yua s SER 8 CO 0.00 -1.26 -0.14 -1.10 0.41 0.00 0.00 173.24 171.14 2yua s GLN 9 N -4.66 3.15 0.35 12.44 -0.21 -1.26 -5.09 119.66 124.39 2yua s GLN 9 Ca 0.61 -0.75 0.03 0.00 0.02 0.00 0.00 55.36 55.27 2yua s GLN 9 Cb -0.07 -2.70 -0.04 0.00 1.00 0.00 0.00 33.01 31.20 2yua s GLN 9 CO 0.38 -0.15 0.12 0.20 -2.12 0.00 0.00 175.29 173.73 2yua s GLY 10 N 1.21 2.27 0.03 3.09 0.00 -1.26 -5.07 107.32 107.59 2yua s GLY 10 Ca 0.02 -1.62 -0.25 0.00 0.00 0.00 0.00 44.72 42.87 2yua s GLY 10 CO -0.07 -1.74 1.40 -0.55 0.00 0.00 0.00 173.10 172.14 2yua h ASP 11 N 2.03 -0.21 -1.03 1.64 5.19 -1.99 -2.99 116.42 119.06 2yua h ASP 11 Ca -0.36 -0.19 0.32 0.00 -0.62 0.00 0.00 57.03 56.17 2yua h ASP 11 Cb 1.26 0.05 -0.14 0.00 0.18 0.00 0.00 39.33 40.68 2yua h ASP 11 CO 0.59 0.08 0.60 0.00 -3.12 0.00 0.00 179.24 177.39 2yua s SER 13 N -4.92 7.19 0.11 0.00 0.01 -1.13 -4.93 113.70 110.03 2yua s SER 13 Ca -0.10 2.00 -0.26 0.00 1.31 0.00 0.00 55.95 58.91 2yua s SER 13 Cb 0.30 -2.59 -0.14 0.00 0.21 0.00 0.00 66.02 63.79 2yua s SER 13 CO 0.79 -0.34 0.56 0.00 0.41 0.00 0.00 173.24 174.66 2yua n TYR 14 N 3.30 -0.11 -2.06 2.43 0.18 -1.26 -4.76 117.16 114.88 2yua n TYR 14 Ca 0.06 0.80 -0.42 0.00 1.88 0.00 0.00 57.90 60.22 2yua n TYR 14 Cb 0.47 -1.61 -0.03 0.00 -0.38 0.00 0.00 39.34 37.79 2yua n TYR 14 CO 0.00 0.00 0.00 -1.12 -2.08 0.00 0.00 176.86 173.66 2yua s SER 15 N -0.55 6.72 -0.00 9.48 0.01 -1.26 -4.88 113.70 123.22 2yua s SER 15 Ca 0.58 2.40 0.01 0.00 1.31 0.00 0.00 55.95 60.25 2yua s SER 15 Cb -0.83 -2.58 -0.01 0.00 0.21 0.00 0.00 66.02 62.81 2yua s SER 15 CO 0.45 -0.76 0.01 -1.14 0.41 0.00 0.00 173.24 172.21 2yua n ARG 16 N 4.54 1.13 -2.31 12.44 0.63 -1.26 -4.75 116.66 127.09 2yua n ARG 16 Ca 0.13 -0.00 -0.12 0.00 -0.92 0.00 0.00 57.85 56.94 2yua n ARG 16 Cb 0.41 -1.01 0.04 0.00 0.45 0.00 0.00 32.46 32.35 2yua n ARG 16 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 2yua n THR 17 N -1.66 1.90 0.28 5.15 -2.24 -1.26 -4.88 114.28 111.57 2yua n THR 17 Ca -0.00 -3.53 -0.15 0.00 -2.27 0.00 0.00 64.05 58.10 2yua n THR 17 Cb 0.16 0.01 -0.08 0.00 -2.10 0.00 0.00 70.33 68.32 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 2.29 -0.72 -1.09 6.98 0.00 -1.98 -2.62 119.26 122.12 2yua h ALA 18 Ca 0.12 -0.19 0.31 0.00 0.00 0.00 0.00 54.91 55.15 2yua h ALA 18 Cb 1.42 0.28 -0.04 0.00 0.00 0.00 0.00 17.79 19.44 2yua h ALA 18 CO 0.46 -0.80 1.15 -0.07 0.00 0.00 0.00 179.25 179.99 2yua h LEU 19 N -0.94 0.00 0.00 0.00 3.38 -1.96 0.15 115.31 115.94 2yua h LEU 19 Ca -0.07 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 2yua h LEU 19 Cb 0.62 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.37 2yua h LEU 19 CO 0.12 0.00 -0.10 1.88 0.09 0.00 0.00 178.44 180.43 2yua h TYR 20 N 0.00 0.00 -1.11 1.13 -1.99 -1.79 -3.32 116.97 109.89 2yua h TYR 20 Ca 0.52 0.00 0.32 0.00 2.00 0.00 0.00 58.73 61.57 2yua h TYR 20 Cb 2.80 0.00 -0.04 0.00 2.00 0.00 0.00 36.73 41.49 2yua h TYR 20 CO 0.00 0.16 0.83 0.22 -0.00 0.00 0.00 178.16 179.37 2yua h ASP 21 N -1.00 0.00 -0.46 3.88 1.82 -0.40 0.59 116.42 120.85 2yua h ASP 21 Ca -0.01 0.00 -0.02 0.00 -0.39 0.00 0.00 57.03 56.61 2yua h ASP 21 Cb 0.23 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 40.22 2yua h ASP 21 CO -0.01 0.00 0.19 -0.07 -1.61 0.00 0.00 179.24 177.75 2yua h LEU 22 N 0.00 0.63 0.00 2.28 4.07 -1.35 -3.33 115.31 117.60 2yua h LEU 22 Ca 0.53 -0.16 -0.13 0.00 0.08 0.00 0.00 57.88 58.20 2yua h LEU 22 Cb 2.17 -0.16 -0.02 0.00 1.08 0.00 0.00 40.66 43.73 2yua h LEU 22 CO -0.01 0.61 -0.90 -0.07 -1.08 0.00 0.00 178.44 177.00 2yua h LEU 23 N 0.60 0.00 0.00 1.67 4.07 -0.58 -3.50 115.31 117.57 2yua h LEU 23 Ca 0.15 -0.30 0.00 0.00 0.08 0.00 0.00 57.88 57.82 2yua h LEU 23 Cb 0.17 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.91 2yua h LEU 23 CO -0.01 1.16 0.00 0.61 -1.08 0.00 0.00 178.44 179.12 2yua n GLY 24 N 1.52 1.90 3.69 0.83 0.00 0.17 -4.89 105.19 108.40 2yua n GLY 24 Ca -0.21 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.51 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 -1.90 4.02 0.96 1.61 -7.23 -1.24 -5.02 120.40 111.61 2yua s VAL 25 Ca 0.00 -0.95 -0.12 0.00 -1.81 0.00 0.00 61.98 59.10 2yua s VAL 25 Cb 0.00 -2.90 0.16 0.00 0.56 0.00 0.00 36.38 34.20 2yua s VAL 25 CO 0.00 0.15 1.09 -2.16 -0.31 0.00 0.00 175.10 173.87 2yua s PRO 26 N -2.22 0.76 0.61 4.82 0.04 -1.26 -4.64 135.00 133.11 2yua s PRO 26 Ca 0.25 0.65 0.39 0.00 0.04 0.00 0.00 61.00 62.33 2yua s PRO 26 Cb -0.12 -1.76 1.98 0.00 0.04 0.00 0.00 34.50 34.64 2yua s PRO 26 CO 0.17 -2.54 2.22 0.77 0.04 0.00 0.00 177.00 177.66 2yua h SER 27 N -1.76 0.00 0.00 6.66 0.02 -1.99 -2.07 113.55 114.40 2yua h SER 27 Ca -0.52 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.42 2yua h SER 27 Cb 1.31 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.85 2yua h SER 27 CO 0.56 0.01 -0.45 1.07 -1.14 0.00 0.00 176.83 176.88 2yua n THR 28 N -3.17 2.17 -0.29 -2.27 5.66 -1.26 -5.07 114.28 110.06 2yua n THR 28 Ca -0.02 -3.14 -0.28 0.00 -3.05 0.00 0.00 64.05 57.56 2yua n THR 28 Cb 0.16 -0.23 0.27 0.00 -1.55 0.00 0.00 70.33 68.98 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 -1.14 -4.26 -2.53 1.79 0.00 -0.78 -5.04 120.51 108.55 2yua n ALA 29 Ca 0.19 -1.76 -0.28 0.00 0.00 0.00 0.00 53.44 51.58 2yua n ALA 29 Cb 0.69 -1.47 -0.10 0.00 0.00 0.00 0.00 19.45 18.57 2yua n ALA 29 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 2yua s THR 30 N -2.11 3.01 0.38 0.00 -1.32 -1.26 -4.99 115.64 109.34 2yua s THR 30 Ca 0.61 -1.59 0.18 0.00 -1.21 0.00 0.00 61.69 59.68 2yua s THR 30 Cb -0.12 -2.44 0.38 0.00 -1.51 0.00 0.00 72.50 68.82 2yua s THR 30 CO 0.52 -0.01 1.71 0.06 -2.21 0.00 0.00 174.62 174.70 2yua h GLN 31 N 3.32 0.35 -0.56 7.08 -0.00 -1.97 0.70 115.11 124.03 2yua h GLN 31 Ca -0.48 -0.02 0.03 0.00 -0.00 0.00 0.00 58.65 58.18 2yua h GLN 31 Cb 1.19 -0.08 -0.03 0.00 -0.00 0.00 0.00 27.48 28.56 2yua h GLN 31 CO 0.50 0.23 0.37 0.00 -0.00 0.00 0.00 178.83 179.94 2yua h ALA 32 N 1.69 1.72 0.00 0.06 0.00 -2.00 -2.52 119.26 118.22 2yua h ALA 32 Ca 0.67 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.56 2yua h ALA 32 Cb 1.67 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.28 2yua h ALA 32 CO -0.42 0.21 -0.00 1.96 0.00 0.00 0.00 179.25 181.00 2yua h GLN 33 N 0.64 0.00 -1.10 0.00 4.20 -0.02 -2.68 115.11 116.16 2yua h GLN 33 Ca 0.23 0.00 0.39 0.00 0.06 0.00 0.00 58.65 59.32 2yua h GLN 33 Cb 0.11 0.00 -0.12 0.00 0.30 0.00 0.00 27.48 27.77 2yua h GLN 33 CO -0.06 0.00 0.70 -0.89 -0.67 0.00 0.00 178.83 177.91 2yua n ILE 34 N -3.53 -0.21 0.02 2.54 5.41 -0.69 -0.12 119.36 122.79 2yua n ILE 34 Ca -0.00 1.48 -0.03 0.00 1.00 0.00 0.00 62.75 65.20 2yua n ILE 34 Cb 0.00 -2.42 -0.02 0.00 -0.71 0.00 0.00 39.64 36.50 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 -0.16 -1.13 0.38 3.64 -1.57 -3.08 116.57 114.66 2yua h LYS 35 Ca 0.71 0.01 0.31 0.00 -1.27 0.00 0.00 60.65 60.42 2yua h LYS 35 Cb 2.27 0.04 -0.08 0.00 -0.41 0.00 0.00 32.23 34.05 2yua h LYS 35 CO -0.39 -0.08 0.76 0.00 -2.27 0.00 0.00 179.45 177.46 2yua h ALA 36 N -1.01 2.59 -0.03 5.00 0.00 -0.16 -2.44 119.26 123.20 2yua h ALA 36 Ca -0.02 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2yua h ALA 36 Cb 0.15 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2yua h ALA 36 CO 0.03 -1.00 0.00 0.00 0.00 0.00 0.00 179.25 178.28 2yua n ALA 37 N -2.57 -0.35 -0.25 0.00 0.00 0.55 -1.75 120.51 116.14 2yua n ALA 37 Ca 0.27 0.00 0.30 0.00 0.00 0.00 0.00 53.44 54.01 2yua n ALA 37 Cb 1.07 0.00 0.45 0.00 0.00 0.00 0.00 19.45 20.98 2yua n ALA 37 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 2yua n TYR 38 N -1.99 0.00 0.00 0.00 9.36 -0.96 -1.29 117.16 122.29 2yua n TYR 38 Ca 0.00 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.22 2yua n TYR 38 Cb 0.00 -0.27 0.00 0.00 -0.63 0.00 0.00 39.34 38.44 2yua n TYR 38 CO 0.00 0.00 0.00 0.66 0.22 0.00 0.00 176.86 177.74 2yua n TYR 39 N -3.27 0.00 -0.13 2.98 4.01 -0.97 -3.46 117.16 116.32 2yua n TYR 39 Ca 0.25 0.00 0.26 0.00 -0.16 0.00 0.00 57.90 58.25 2yua n TYR 39 Cb 1.56 -0.44 0.54 0.00 -0.31 0.00 0.00 39.34 40.69 2yua n TYR 39 CO 0.00 0.00 0.00 0.07 -0.46 0.00 0.00 176.86 176.47 2yua h ARG 40 N 0.00 0.00 0.20 -0.72 0.11 -0.33 0.30 114.38 113.93 2yua h ARG 40 Ca 0.00 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.07 2yua h ARG 40 Cb 0.00 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.08 2yua h ARG 40 CO 0.00 0.00 -0.10 1.96 0.10 0.00 0.00 179.97 181.93 2yua h GLN 41 N 0.00 -0.26 -0.98 0.08 1.08 -1.31 -3.14 115.11 110.58 2yua h GLN 41 Ca 0.41 0.02 0.24 0.00 -1.45 0.00 0.00 58.65 57.86 2yua h GLN 41 Cb 2.38 0.06 -0.18 0.00 -0.05 0.00 0.00 27.48 29.68 2yua h GLN 41 CO -0.00 0.04 -0.09 0.00 -0.95 0.00 0.00 178.83 177.82 2yua h PHE 43 N 0.01 -1.30 -0.75 0.00 3.04 -1.61 -1.45 116.94 114.88 2yua h PHE 43 Ca 0.54 0.05 0.15 0.00 3.98 0.00 0.00 57.97 62.69 2yua h PHE 43 Cb 1.01 0.59 -0.14 0.00 2.56 0.00 0.00 35.95 39.96 2yua h PHE 43 CO -0.61 -0.43 -0.19 1.28 -2.02 0.00 0.00 178.31 176.34 2yua n LEU 44 N -4.84 -0.27 -3.88 0.59 4.77 -0.03 -1.89 117.00 111.46 2yua n LEU 44 Ca -0.04 1.29 -0.30 0.00 -0.03 0.00 0.00 56.01 56.92 2yua n LEU 44 Cb 0.30 -0.39 -0.10 0.00 -2.33 0.00 0.00 43.42 40.90 2yua n LEU 44 CO 0.05 -1.23 0.09 -1.22 -1.33 0.00 0.00 177.39 173.75 2yua n TYR 45 N -5.22 3.52 -2.11 -1.77 4.02 -0.57 -5.07 117.16 109.95 2yua n TYR 45 Ca 0.12 -4.22 -0.40 0.00 -0.01 0.00 0.00 57.90 53.38 2yua n TYR 45 Cb 0.37 -0.74 -0.02 0.00 -0.02 0.00 0.00 39.34 38.93 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 -1.64 3.00 -1.48 -0.72 2.46 -0.79 -4.84 115.29 111.28 2yua s HIS 46 Ca 0.28 1.42 0.15 0.00 0.47 0.00 0.00 55.06 57.38 2yua s HIS 46 Cb -0.02 -3.67 0.77 0.00 -0.13 0.00 0.00 32.58 29.53 2yua s HIS 46 CO -0.13 -1.89 1.40 -0.35 -2.47 0.00 0.00 174.74 171.30 2yua n PRO 47 N 0.64 0.24 -0.06 2.88 -0.04 -1.26 -2.97 135.00 134.43 2yua n PRO 47 Ca 0.01 0.13 -0.10 0.00 -0.04 0.00 0.00 63.50 63.50 2yua n PRO 47 Cb 0.42 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.35 2yua n PRO 47 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2yua n ASP 48 N -1.26 1.58 -0.26 3.54 2.03 -1.26 -4.66 116.55 116.26 2yua n ASP 48 Ca 0.07 0.26 0.03 0.00 0.52 0.00 0.00 54.79 55.67 2yua n ASP 48 Cb 0.11 -0.59 0.11 0.00 -0.72 0.00 0.00 41.12 40.03 2yua n ASP 48 CO 0.00 0.00 0.00 0.03 -1.92 0.00 0.00 177.20 175.31 2yua h ARG 49 N -0.67 0.03 -5.38 -0.67 2.47 -1.96 -3.25 114.38 104.94 2yua h ARG 49 Ca -0.13 -0.00 -0.65 0.00 -1.26 0.00 0.00 59.98 57.94 2yua h ARG 49 Cb 0.88 -0.01 -0.15 0.00 -1.65 0.00 0.00 29.97 29.04 2yua h ARG 49 CO -0.08 0.02 0.79 -0.80 0.56 0.00 0.00 179.97 180.46 2yua s ASN 50 N -5.22 6.40 -0.11 7.04 0.01 -1.16 -5.00 114.94 116.90 2yua s ASN 50 Ca -0.14 -1.46 -0.30 0.00 -0.71 0.00 0.00 52.86 50.25 2yua s ASN 50 Cb 0.22 -2.43 -0.03 0.00 0.41 0.00 0.00 41.25 39.42 2yua s ASN 50 CO 0.75 -1.31 1.35 -0.44 -1.51 0.00 0.00 177.10 175.94 2yua s SER 51 N 3.81 6.89 -0.85 -1.22 0.01 -1.23 -3.95 113.70 117.17 2yua s SER 51 Ca 0.30 1.87 -0.22 0.00 1.31 0.00 0.00 55.95 59.20 2yua s SER 51 Cb -0.10 -2.54 0.03 0.00 0.21 0.00 0.00 66.02 63.62 2yua s SER 51 CO -0.00 -0.76 0.49 0.61 0.41 0.00 0.00 173.24 173.99 2yua n GLY 52 N 3.68 -0.67 3.41 3.44 0.00 -1.26 -4.84 105.19 108.96 2yua n GLY 52 Ca 0.14 0.28 -0.44 0.00 0.00 0.00 0.00 46.02 45.99 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 -3.72 6.20 0.14 1.61 0.01 -1.25 -4.92 113.70 111.75 2yua s SER 53 Ca 0.30 -1.18 -0.18 0.00 1.31 0.00 0.00 55.95 56.20 2yua s SER 53 Cb -0.17 -2.32 -0.01 0.00 0.21 0.00 0.00 66.02 63.73 2yua s SER 53 CO 0.71 -1.11 1.75 0.00 0.41 0.00 0.00 173.24 175.01 2yua h ALA 54 N 9.20 0.30 -0.17 1.44 0.00 -1.97 -0.51 119.26 127.54 2yua h ALA 54 Ca -0.29 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.65 2yua h ALA 54 Cb 1.09 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.87 2yua h ALA 54 CO 1.07 -0.31 0.00 0.39 0.00 0.00 0.00 179.25 180.41 2yua n GLU 55 N -5.02 0.00 -0.31 0.00 -0.58 -1.26 -3.16 120.64 110.32 2yua n GLU 55 Ca -0.01 0.50 0.06 0.00 -0.42 0.00 0.00 57.16 57.28 2yua n GLU 55 Cb 0.09 -1.47 0.15 0.00 -0.57 0.00 0.00 31.44 29.63 2yua n GLU 55 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2yua h ALA 56 N -1.95 0.70 -0.87 0.62 0.00 -1.99 -0.38 119.26 115.39 2yua h ALA 56 Ca 0.00 0.33 0.12 0.00 0.00 0.00 0.00 54.91 55.35 2yua h ALA 56 Cb 0.00 0.62 -0.13 0.00 0.00 0.00 0.00 17.79 18.28 2yua h ALA 56 CO 0.00 -0.43 -0.40 0.00 0.00 0.00 0.00 179.25 178.43 2yua n ALA 57 N -3.32 -0.25 -0.32 0.00 0.00 -0.20 -0.68 120.51 115.73 2yua n ALA 57 Ca 0.15 0.83 -0.09 0.00 0.00 0.00 0.00 53.44 54.32 2yua n ALA 57 Cb 0.49 -0.30 -0.08 0.00 0.00 0.00 0.00 19.45 19.56 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 -0.03 -0.12 0.00 5.08 -1.01 -0.72 114.58 117.78 2yua h GLU 58 Ca 0.25 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.65 2yua h GLU 58 Cb 0.47 0.01 -0.07 0.00 0.50 0.00 0.00 28.75 29.66 2yua h GLU 58 CO -0.85 -0.02 -0.46 -0.09 -1.00 0.00 0.00 179.01 176.59 2yua h ARG 59 N -0.03 -0.52 -0.97 2.33 2.43 -1.00 -1.11 114.38 115.52 2yua h ARG 59 Ca 0.13 0.04 0.27 0.00 -0.81 0.00 0.00 59.98 59.60 2yua h ARG 59 Cb 0.35 0.12 -0.18 0.00 -0.42 0.00 0.00 29.97 29.84 2yua h ARG 59 CO -0.75 -0.34 0.09 0.35 -1.51 0.00 0.00 179.97 177.81 2yua h PHE 60 N -0.53 0.06 0.31 2.20 3.57 -0.61 0.22 116.94 122.17 2yua h PHE 60 Ca 0.06 0.07 -0.00 0.00 3.53 0.00 0.00 57.97 61.62 2yua h PHE 60 Cb 0.65 0.13 -0.01 0.00 2.79 0.00 0.00 35.95 39.51 2yua h PHE 60 CO -0.51 -0.41 -0.25 1.15 -2.23 0.00 0.00 178.31 176.06 2yua h THR 61 N 0.03 0.48 0.17 4.41 2.02 -0.09 -2.94 112.91 116.99 2yua h THR 61 Ca 0.61 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.80 2yua h THR 61 Cb 1.28 0.48 -0.03 0.00 -1.74 0.00 0.00 68.15 68.14 2yua h THR 61 CO -0.87 0.00 -0.24 0.03 0.37 0.00 0.00 175.52 174.81 2yua h ARG 62 N -0.57 -0.45 -0.85 6.66 3.08 -0.27 -2.75 114.38 119.24 2yua h ARG 62 Ca -0.02 0.03 0.15 0.00 0.07 0.00 0.00 59.98 60.20 2yua h ARG 62 Cb 0.50 0.10 -0.15 0.00 0.08 0.00 0.00 29.97 30.50 2yua h ARG 62 CO -0.01 -0.30 -0.28 -0.89 -1.07 0.00 0.00 179.97 177.41 2yua n ILE 63 N -5.36 -0.41 -0.24 2.04 5.41 0.01 0.13 119.36 120.94 2yua n ILE 63 Ca -0.07 1.97 0.05 0.00 1.00 0.00 0.00 62.75 65.69 2yua n ILE 63 Cb 0.27 -2.65 0.16 0.00 -0.71 0.00 0.00 39.64 36.72 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 -0.02 -0.40 4.38 0.02 -1.31 -0.85 113.55 115.38 2yua h SER 64 Ca 0.34 0.14 0.08 0.00 -0.84 0.00 0.00 61.79 61.51 2yua h SER 64 Cb 0.55 0.20 -0.08 0.00 0.14 0.00 0.00 62.40 63.22 2yua h SER 64 CO -0.85 -0.04 -0.09 1.56 -1.14 0.00 0.00 176.83 176.26 2yua h GLN 65 N 0.25 0.01 -0.86 3.45 4.20 0.10 0.12 115.11 122.38 2yua h GLN 65 Ca 0.40 -0.00 0.25 0.00 0.06 0.00 0.00 58.65 59.35 2yua h GLN 65 Cb 0.66 -0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.41 2yua h GLN 65 CO -0.50 0.00 0.68 0.00 -0.67 0.00 0.00 178.83 178.34 2yua h ALA 66 N 1.40 2.76 -0.61 3.87 0.00 -0.90 0.68 119.26 126.45 2yua h ALA 66 Ca 0.19 -0.03 -0.27 0.00 0.00 0.00 0.00 54.91 54.81 2yua h ALA 66 Cb 0.29 0.06 -0.16 0.00 0.00 0.00 0.00 17.79 17.99 2yua h ALA 66 CO -0.41 -1.12 0.34 0.98 0.00 0.00 0.00 179.25 179.04 2yua n TYR 67 N -4.07 1.93 0.07 0.00 9.36 0.40 -3.64 117.16 121.22 2yua n TYR 67 Ca 0.18 -1.19 0.00 0.00 3.32 0.00 0.00 57.90 60.21 2yua n TYR 67 Cb 0.98 -0.64 0.00 0.00 -0.63 0.00 0.00 39.34 39.05 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 -0.36 0.81 0.03 2.97 0.31 0.24 -4.28 118.33 118.05 2yua n VAL 68 Ca 0.35 0.27 -0.03 0.00 -0.01 0.00 0.00 64.34 64.92 2yua n VAL 68 Cb 1.20 -1.27 0.20 0.00 -0.91 0.00 0.00 33.84 33.06 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 1.28 0.00 2.52 2.07 -1.72 -3.08 116.25 117.32 2yua h VAL 69 Ca 0.00 -1.34 -0.12 0.00 0.82 0.00 0.00 66.70 66.06 2yua h VAL 69 Cb 0.07 1.44 -0.02 0.00 -1.52 0.00 0.00 31.29 31.26 2yua h VAL 69 CO 0.00 0.42 -1.59 0.18 0.02 0.00 0.00 177.57 176.60 2yua n LEU 70 N -4.09 0.55 -0.38 2.57 4.77 -1.24 -2.93 117.00 116.24 2yua n LEU 70 Ca -0.01 0.23 0.30 0.00 -0.03 0.00 0.00 56.01 56.50 2yua n LEU 70 Cb 0.43 0.08 0.57 0.00 -2.33 0.00 0.00 43.42 42.18 2yua n LEU 70 CO 0.42 0.08 1.20 1.23 -1.33 0.00 0.00 177.39 179.00 2yua h GLY 71 N 3.88 1.47 -5.82 -0.72 0.00 -1.70 -3.37 103.07 96.81 2yua h GLY 71 Ca -0.14 -0.16 -0.64 0.00 0.00 0.00 0.00 47.33 46.38 2yua h GLY 71 CO 0.02 -0.36 -0.69 -0.56 0.00 0.00 0.00 176.54 174.95 2yua s SER 72 N -4.78 4.57 0.27 0.19 0.01 -1.26 -5.00 113.70 107.70 2yua s SER 72 Ca -0.08 -0.19 -0.01 0.00 1.31 0.00 0.00 55.95 56.98 2yua s SER 72 Cb 0.29 -1.74 0.48 0.00 0.21 0.00 0.00 66.02 65.27 2yua s SER 72 CO 0.81 0.16 1.85 0.00 0.41 0.00 0.00 173.24 176.47 2yua h ALA 73 N 6.74 1.45 0.32 1.44 0.00 -1.90 -2.56 119.26 124.75 2yua h ALA 73 Ca -0.30 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.61 2yua h ALA 73 Cb 1.20 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 2yua h ALA 73 CO 0.61 0.31 -0.28 1.15 0.00 0.00 0.00 179.25 181.05 2yua h THR 74 N 1.07 0.42 -0.33 0.00 2.02 -1.93 -2.97 112.91 111.18 2yua h THR 74 Ca 0.47 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.70 2yua h THR 74 Cb 0.35 0.42 -0.08 0.00 -1.74 0.00 0.00 68.15 67.09 2yua h THR 74 CO -0.23 0.00 -0.47 -0.07 0.37 0.00 0.00 175.52 175.13 2yua h LEU 75 N -0.61 -1.53 -0.98 2.58 3.38 -1.70 0.45 115.31 116.90 2yua h LEU 75 Ca -0.02 0.21 0.32 0.00 0.09 0.00 0.00 57.88 58.48 2yua h LEU 75 Cb 0.55 0.64 -0.18 0.00 0.09 0.00 0.00 40.66 41.76 2yua h LEU 75 CO -0.03 -0.40 0.24 0.03 0.09 0.00 0.00 178.44 178.37 2yua h ARG 76 N -0.40 0.04 -0.24 1.13 3.08 -1.38 0.64 114.38 117.25 2yua h ARG 76 Ca 0.10 -0.00 -0.10 0.00 0.07 0.00 0.00 59.98 60.05 2yua h ARG 76 Cb 0.61 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.64 2yua h ARG 76 CO -0.54 0.03 -0.26 0.00 -1.07 0.00 0.00 179.97 178.13 2yua h ARG 77 N 0.04 0.60 0.02 0.04 3.08 -0.83 -3.17 114.38 114.16 2yua h ARG 77 Ca 0.68 -0.32 0.02 0.00 0.07 0.00 0.00 59.98 60.43 2yua h ARG 77 Cb 1.58 0.01 -0.05 0.00 0.08 0.00 0.00 29.97 31.59 2yua h ARG 77 CO -0.83 0.92 -0.48 0.87 -1.07 0.00 0.00 179.97 179.37 2yua h LYS 78 N 0.31 -0.60 -1.11 0.04 1.57 0.17 -0.29 116.57 116.67 2yua h LYS 78 Ca 0.04 0.04 0.31 0.00 -1.87 0.00 0.00 60.65 59.16 2yua h LYS 78 Cb 0.82 0.14 -0.10 0.00 0.08 0.00 0.00 32.23 33.17 2yua h LYS 78 CO 0.06 -0.40 0.72 -0.92 -0.57 0.00 0.00 179.45 178.34 2yua h TYR 79 N -0.62 0.59 -0.15 -1.35 3.20 -1.41 0.14 116.97 117.37 2yua h TYR 79 Ca 0.01 0.02 0.04 0.00 3.14 0.00 0.00 58.73 61.94 2yua h TYR 79 Cb 0.66 -0.17 -0.04 0.00 1.54 0.00 0.00 36.73 38.72 2yua h TYR 79 CO -0.49 -0.00 -0.10 0.22 -1.64 0.00 0.00 178.16 176.15 2yua h ASP 80 N 0.30 -0.32 -0.19 -2.11 3.58 -1.02 -0.76 116.42 115.91 2yua h ASP 80 Ca 0.64 0.07 0.00 0.00 0.42 0.00 0.00 57.03 58.16 2yua h ASP 80 Cb 1.78 0.17 0.00 0.00 1.72 0.00 0.00 39.33 42.99 2yua h ASP 80 CO -0.31 -0.13 0.00 0.54 -2.88 0.00 0.00 179.24 176.46 2yua n ARG 81 N -5.25 1.59 -2.53 0.28 5.12 0.23 -4.89 116.66 111.21 2yua n ARG 81 Ca -0.03 -0.90 -0.09 0.00 -1.93 0.00 0.00 57.85 54.90 2yua n ARG 81 Cb 0.17 -1.31 0.01 0.00 -1.16 0.00 0.00 32.46 30.17 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 1.00 0.16 0.01 -0.13 0.00 -0.16 -4.93 105.19 101.15 2yua n GLY 82 Ca 0.13 -0.42 0.11 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.76 0.68 -4.64 0.99 4.77 0.18 -4.86 117.00 112.36 2yua n LEU 83 Ca -0.05 -0.16 -0.41 0.00 -0.03 0.00 0.00 56.01 55.35 2yua n LEU 83 Cb 0.55 -0.11 -0.05 0.00 -2.33 0.00 0.00 43.42 41.49 2yua n LEU 83 CO 0.19 0.13 0.59 -0.22 -1.33 0.00 0.00 177.39 176.74 2yua s LEU 84 N -3.41 4.08 0.47 2.23 2.96 -1.25 -4.86 118.68 118.90 2yua s LEU 84 Ca 0.07 0.93 0.06 0.00 -0.22 0.00 0.00 54.13 54.97 2yua s LEU 84 Cb 0.16 -3.10 -0.01 0.00 0.50 0.00 0.00 46.19 43.74 2yua s LEU 84 CO 0.80 -0.49 0.31 -0.44 -1.32 0.00 0.00 176.35 175.21 2yua s SER 85 N 1.39 4.65 0.19 3.68 0.01 -1.26 -4.88 113.70 117.47 2yua s SER 85 Ca 0.33 -1.09 -0.14 0.00 1.31 0.00 0.00 55.95 56.35 2yua s SER 85 Cb -0.15 -0.10 0.17 0.00 0.21 0.00 0.00 66.02 66.16 2yua s SER 85 CO 0.08 -0.81 1.67 -2.24 0.41 0.00 0.00 173.24 172.35 2yua h ASP 86 N 1.05 -0.30 -0.96 2.44 2.03 -1.98 -1.49 116.42 117.21 2yua h ASP 86 Ca -0.40 0.13 0.20 0.00 -0.73 0.00 0.00 57.03 56.23 2yua h ASP 86 Cb 1.28 0.24 -0.18 0.00 -0.83 0.00 0.00 39.33 39.84 2yua h ASP 86 CO 0.62 -0.11 -0.20 -0.62 -1.03 0.00 0.00 179.24 177.91 2yua n GLU 87 N -5.28 -0.08 -0.08 4.15 1.02 -1.26 0.59 120.64 119.70 2yua n GLU 87 Ca 0.05 1.49 -0.14 0.00 -0.02 0.00 0.00 57.16 58.54 2yua n GLU 87 Cb 0.27 -2.25 -0.05 0.00 -0.02 0.00 0.00 31.44 29.39 2yua n GLU 87 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 2yua h ASP 88 N 0.00 0.78 0.11 1.62 5.19 -1.58 0.48 116.42 123.01 2yua h ASP 88 Ca 0.48 -0.52 0.02 0.00 -0.62 0.00 0.00 57.03 56.40 2yua h ASP 88 Cb 0.79 -0.22 -0.04 0.00 0.18 0.00 0.00 39.33 40.04 2yua h ASP 88 CO -0.98 1.14 -0.27 -0.07 -3.12 0.00 0.00 179.24 175.94 2yua h LEU 89 N 0.43 -0.77 -0.23 1.55 3.38 0.87 -2.73 115.31 117.81 2yua h LEU 89 Ca 0.02 0.09 -0.20 0.00 0.09 0.00 0.00 57.88 57.89 2yua h LEU 89 Cb 0.97 0.29 -0.02 0.00 0.09 0.00 0.00 40.66 42.00 2yua h LEU 89 CO 0.09 -0.36 -0.91 0.08 0.09 0.00 0.00 178.44 177.43 2yua h ARG 90 N -0.47 0.12 0.00 1.13 0.11 -0.63 -3.48 114.38 111.15 2yua h ARG 90 Ca 0.03 -0.15 0.00 0.00 0.10 0.00 0.00 59.98 59.97 2yua h ARG 90 Cb 0.51 0.05 0.00 0.00 1.11 0.00 0.00 29.97 31.63 2yua h ARG 90 CO -0.16 0.94 0.00 0.41 0.10 0.00 0.00 179.97 181.26 2yua n GLY 91 N 0.98 -3.39 0.23 0.08 0.00 0.17 -4.67 105.19 98.59 2yua n GLY 91 Ca -0.03 -2.12 -0.08 0.00 0.00 0.00 0.00 46.02 43.80 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 0.53 0.58 0.00 1.61 0.13 -1.89 -3.43 132.00 129.53 2yua h PRO 92 Ca 0.00 -0.30 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 2yua h PRO 92 Cb 0.00 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.14 2yua h PRO 92 CO 0.00 0.90 0.00 0.41 -0.23 0.00 0.00 178.00 179.08 2yua n GLY 93 N 0.02 1.10 0.12 1.56 0.00 -1.26 -5.04 105.19 101.69 2yua n GLY 93 Ca -0.02 -0.66 -0.14 0.00 0.00 0.00 0.00 46.02 45.20 2yua n GLY 93 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2yua h SER 94 N 0.00 0.33 -4.32 1.61 0.87 -1.93 -3.50 113.55 106.61 2yua h SER 94 Ca 0.00 -0.54 0.00 0.00 -1.23 0.00 0.00 61.79 60.02 2yua h SER 94 Cb 0.00 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 61.87 2yua h SER 94 CO 0.00 0.81 0.00 0.61 -0.53 0.00 0.00 176.83 177.72 2yua n GLY 95 N 0.37 3.49 0.15 5.77 0.00 -1.26 -4.87 105.19 108.84 2yua n GLY 95 Ca -0.07 -1.69 0.12 0.00 0.00 0.00 0.00 46.02 44.38 2yua n GLY 95 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2yua h PRO 96 N 0.00 0.00 -7.62 1.61 0.13 -2.07 -3.44 132.00 120.61 2yua h PRO 96 Ca 0.00 0.00 -0.43 0.00 -0.87 0.00 0.00 66.00 64.70 2yua h PRO 96 Cb 0.00 0.00 0.18 0.00 0.13 0.00 0.00 31.00 31.31 2yua h PRO 96 CO 0.00 0.00 0.29 -1.54 -0.23 0.00 0.00 178.00 176.52 2yua s SER 97 N -4.37 2.12 -0.10 1.44 1.04 -1.26 -5.09 113.70 107.47 2yua s SER 97 Ca 0.04 0.46 -0.07 0.00 0.48 0.00 0.00 55.95 56.85 2yua s SER 97 Cb 0.09 -0.61 0.03 0.00 0.10 0.00 0.00 66.02 65.63 2yua s SER 97 CO 0.40 -3.36 0.25 -0.94 0.98 0.00 0.00 173.24 170.57 2yua s SER 98 N -4.40 -0.26 0.00 7.02 1.04 -1.26 -5.14 113.70 110.69 2yua s SER 98 Ca 0.72 0.51 0.00 0.00 0.48 0.00 0.00 55.95 57.67 2yua s SER 98 Cb -0.07 0.47 0.00 0.00 0.10 0.00 0.00 66.02 66.52 2yua s SER 98 CO 0.54 -0.12 0.00 0.61 0.98 0.00 0.00 173.24 175.25