#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2doa s SER 2 N 0.00 6.63 -0.35 1.61 0.01 -1.26 -5.00 113.70 115.35 2doa s SER 2 Ca 0.00 0.43 0.01 0.00 1.31 0.00 0.00 55.95 57.70 2doa s SER 2 Cb 0.00 -2.51 0.09 0.00 0.21 0.00 0.00 66.02 63.81 2doa s SER 2 CO 0.00 -1.12 0.07 -0.55 0.41 0.00 0.00 173.24 172.06 2doa s SER 3 N 2.26 4.92 0.00 2.44 0.15 -1.26 -4.71 113.70 117.50 2doa s SER 3 Ca 0.43 -1.87 0.00 0.00 0.70 0.00 0.00 55.95 55.21 2doa s SER 3 Cb -0.09 -1.70 0.00 0.00 -1.71 0.00 0.00 66.02 62.52 2doa s SER 3 CO 0.27 -0.39 0.00 0.61 1.20 0.00 0.00 173.24 174.93 2doa n GLY 4 N 4.45 0.65 3.73 9.45 0.00 -1.26 -5.11 105.19 117.10 2doa n GLY 4 Ca -0.03 -0.36 -0.23 0.00 0.00 0.00 0.00 46.02 45.40 2doa n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2doa s SER 5 N -2.07 4.86 -0.37 1.61 0.01 -1.26 -5.11 113.70 111.37 2doa s SER 5 Ca 0.00 -0.59 0.01 0.00 1.31 0.00 0.00 55.95 56.68 2doa s SER 5 Cb 0.00 -0.93 0.18 0.00 0.21 0.00 0.00 66.02 65.48 2doa s SER 5 CO 0.00 -0.14 0.78 -0.55 0.41 0.00 0.00 173.24 173.75 2doa s SER 6 N -3.79 -1.09 -0.43 2.44 0.15 -1.26 -5.02 113.70 104.70 2doa s SER 6 Ca 0.35 -0.53 0.05 0.00 0.70 0.00 0.00 55.95 56.52 2doa s SER 6 Cb -0.05 1.41 0.68 0.00 -1.71 0.00 0.00 66.02 66.34 2doa s SER 6 CO 0.22 -0.12 1.89 0.61 1.20 0.00 0.00 173.24 177.04 2doa n GLY 7 N 4.19 4.34 0.08 9.45 0.00 -1.26 -4.35 105.19 117.63 2doa n GLY 7 Ca 0.09 -1.06 -0.09 0.00 0.00 0.00 0.00 46.02 44.95 2doa n GLY 7 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2doa h VAL 8 N 1.25 1.34 -0.19 1.61 2.07 -1.95 -3.27 116.25 117.11 2doa h VAL 8 Ca 0.58 -3.08 -0.06 0.00 0.82 0.00 0.00 66.70 64.95 2doa h VAL 8 Cb 2.78 2.70 -0.01 0.00 -1.52 0.00 0.00 31.29 35.23 2doa h VAL 8 CO 1.04 0.79 -0.17 -1.28 0.02 0.00 0.00 177.57 177.98 2doa h SER 9 N 0.01 0.31 -0.28 0.57 0.87 -1.94 -2.82 113.55 110.27 2doa h SER 9 Ca -0.14 -0.08 -0.19 0.00 -1.23 0.00 0.00 61.79 60.16 2doa h SER 9 Cb 1.89 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 63.77 2doa h SER 9 CO 0.12 0.50 -0.55 1.56 -0.53 0.00 0.00 176.83 177.93 2doa h GLN 10 N 0.30 0.87 -7.19 2.24 4.20 -1.87 -3.45 115.11 110.20 2doa h GLN 10 Ca 0.06 -0.56 -0.54 0.00 0.06 0.00 0.00 58.65 57.67 2doa h GLN 10 Cb 0.47 0.07 0.18 0.00 0.30 0.00 0.00 27.48 28.50 2doa h GLN 10 CO 0.03 1.19 0.31 0.54 -0.67 0.00 0.00 178.83 180.23 2doa n ARG 11 N -4.02 0.16 -0.91 1.46 5.12 -1.07 -4.96 116.66 112.44 2doa n ARG 11 Ca -0.05 0.13 -0.32 0.00 -1.93 0.00 0.00 57.85 55.68 2doa n ARG 11 Cb 0.63 -2.42 0.15 0.00 -1.16 0.00 0.00 32.46 29.65 2doa n ARG 11 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 2doa s PRO 12 N -4.11 1.31 0.32 5.56 0.04 -1.26 -4.87 135.00 132.00 2doa s PRO 12 Ca 0.73 1.68 0.10 0.00 0.04 0.00 0.00 61.00 63.56 2doa s PRO 12 Cb -0.29 -1.75 0.55 0.00 0.04 0.00 0.00 34.50 33.05 2doa s PRO 12 CO 0.51 -2.44 1.73 0.35 0.04 0.00 0.00 177.00 177.20 2doa h PHE 13 N -1.36 0.07 -0.74 0.56 3.57 -1.93 -2.72 116.94 114.38 2doa h PHE 13 Ca -0.45 -0.02 -0.06 0.00 3.53 0.00 0.00 57.97 60.97 2doa h PHE 13 Cb 1.29 -0.02 -0.03 0.00 2.79 0.00 0.00 35.95 39.98 2doa h PHE 13 CO 0.48 0.50 0.23 -0.09 -2.23 0.00 0.00 178.31 177.20 2doa h ARG 14 N 0.05 1.15 -0.24 1.11 2.43 -1.99 -2.33 114.38 114.56 2doa h ARG 14 Ca 0.00 -0.25 -0.18 0.00 -0.81 0.00 0.00 59.98 58.74 2doa h ARG 14 Cb 0.82 -0.17 -0.00 0.00 -0.42 0.00 0.00 29.97 30.20 2doa h ARG 14 CO 0.06 0.98 -0.58 -0.44 -1.51 0.00 0.00 179.97 178.48 2doa h ASP 15 N 1.11 0.87 -0.21 -3.80 5.19 -1.90 0.13 116.42 117.81 2doa h ASP 15 Ca 0.24 -0.48 0.01 0.00 -0.62 0.00 0.00 57.03 56.18 2doa h ASP 15 Cb 0.31 -0.25 -0.02 0.00 0.18 0.00 0.00 39.33 39.55 2doa h ASP 15 CO -0.01 1.26 0.11 0.03 -3.12 0.00 0.00 179.24 177.51 2doa h ARG 16 N 0.59 0.22 0.00 3.56 3.08 -1.28 0.53 114.38 121.08 2doa h ARG 16 Ca 0.00 -0.01 -0.18 0.00 0.07 0.00 0.00 59.98 59.86 2doa h ARG 16 Cb 1.18 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 31.15 2doa h ARG 16 CO 0.12 0.15 -0.85 0.28 -1.07 0.00 0.00 179.97 178.60 2doa h VAL 17 N 0.23 1.60 -0.56 2.04 2.07 -1.45 -2.95 116.25 117.23 2doa h VAL 17 Ca 0.09 -2.92 -0.11 0.00 0.82 0.00 0.00 66.70 64.57 2doa h VAL 17 Cb 0.01 2.58 -0.02 0.00 -1.52 0.00 0.00 31.29 32.35 2doa h VAL 17 CO -0.05 0.83 -0.09 0.25 0.02 0.00 0.00 177.57 178.53 2doa h LEU 18 N 0.00 1.04 -0.63 2.57 5.85 -0.63 -2.06 115.31 121.45 2doa h LEU 18 Ca -0.01 -0.34 -0.15 0.00 0.84 0.00 0.00 57.88 58.22 2doa h LEU 18 Cb 1.51 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 42.25 2doa h LEU 18 CO 0.11 1.14 -0.62 0.45 -0.34 0.00 0.00 178.44 179.18 2doa h HIS 19 N 0.93 0.30 0.46 1.25 3.86 -0.94 -2.51 115.15 118.50 2doa h HIS 19 Ca 0.15 -0.12 -0.02 0.00 -1.16 0.00 0.00 60.37 59.21 2doa h HIS 19 Cb 0.66 -0.05 0.00 0.00 1.06 0.00 0.00 27.41 29.09 2doa h HIS 19 CO 0.05 0.79 -0.22 -0.07 0.86 0.00 0.00 177.93 179.34 2doa h LEU 20 N 0.17 -0.52 -2.02 2.43 3.38 -1.36 -3.04 115.31 114.36 2doa h LEU 20 Ca -0.01 -0.09 0.02 0.00 0.09 0.00 0.00 57.88 57.89 2doa h LEU 20 Cb 1.13 0.13 -0.00 0.00 0.09 0.00 0.00 40.66 42.01 2doa h LEU 20 CO 0.10 -0.14 0.06 -0.07 0.09 0.00 0.00 178.44 178.48 2doa h LEU 21 N -0.97 0.00 -0.09 1.67 3.38 -1.45 -2.43 115.31 115.41 2doa h LEU 21 Ca -0.06 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.92 2doa h LEU 21 Cb 0.58 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 2doa h LEU 21 CO 0.10 0.00 0.01 0.00 0.09 0.00 0.00 178.44 178.64 2doa h ALA 22 N 1.96 0.09 0.21 1.53 0.00 -1.38 -3.04 119.26 118.63 2doa h ALA 22 Ca 0.04 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 2doa h ALA 22 Cb 0.16 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 2doa h ALA 22 CO -0.00 -0.45 -0.12 -0.07 0.00 0.00 0.00 179.25 178.61 2doa h LEU 23 N 0.05 -0.28 -7.04 0.00 3.38 -1.33 -3.47 115.31 106.62 2doa h LEU 23 Ca 0.04 0.01 0.07 0.00 0.09 0.00 0.00 57.88 58.09 2doa h LEU 23 Cb 0.04 0.08 -0.14 0.00 0.09 0.00 0.00 40.66 40.73 2doa h LEU 23 CO -0.06 -0.19 0.39 0.00 0.09 0.00 0.00 178.44 178.67 2doa s ARG 24 N -6.14 1.00 0.61 1.13 1.70 -1.14 -4.96 118.95 111.15 2doa s ARG 24 Ca -0.15 -0.38 -0.18 0.00 -0.47 0.00 0.00 55.73 54.56 2doa s ARG 24 Cb 0.05 0.45 -0.06 0.00 -0.57 0.00 0.00 34.95 34.83 2doa s ARG 24 CO 0.65 -0.44 0.76 -2.30 -1.08 0.00 0.00 175.30 172.89 2doa n PRO 25 N -0.30 0.67 -3.65 3.89 -0.02 -1.26 -4.14 135.00 130.19 2doa n PRO 25 Ca -0.11 0.26 -0.14 0.00 -2.02 0.00 0.00 63.50 61.49 2doa n PRO 25 Cb 0.63 -1.97 -0.13 0.00 -0.02 0.00 0.00 33.50 32.01 2doa n PRO 25 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 2doa s TYR 26 N -1.64 -0.40 1.20 6.00 2.02 -0.27 -4.94 117.35 119.33 2doa s TYR 26 Ca 0.73 0.89 -0.20 0.00 -0.37 0.00 0.00 57.07 58.12 2doa s TYR 26 Cb -0.42 -0.08 0.29 0.00 -0.40 0.00 0.00 41.96 41.35 2doa s TYR 26 CO 0.50 -0.37 1.13 1.03 -1.57 0.00 0.00 175.55 176.27 2doa s ARG 27 N 2.40 -1.23 0.07 -0.62 0.52 -1.26 -1.76 118.95 117.08 2doa s ARG 27 Ca 0.02 -0.15 -0.17 0.00 -0.52 0.00 0.00 55.73 54.91 2doa s ARG 27 Cb -0.12 -1.60 -0.12 0.00 0.52 0.00 0.00 34.95 33.62 2doa s ARG 27 CO -0.09 -3.70 1.35 0.87 0.02 0.00 0.00 175.30 173.76 2doa h LYS 28 N -2.57 0.58 0.00 3.54 1.79 -1.97 0.51 116.57 118.45 2doa h LYS 28 Ca -0.44 -0.35 -0.19 0.00 -2.18 0.00 0.00 60.65 57.49 2doa h LYS 28 Cb 1.28 0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 31.95 2doa h LYS 28 CO 0.32 0.96 -0.86 0.00 -1.08 0.00 0.00 179.45 178.79 2doa h ALA 29 N 0.62 0.56 0.02 3.86 0.00 -1.93 0.20 119.26 122.59 2doa h ALA 29 Ca 0.02 -0.73 -0.20 0.00 0.00 0.00 0.00 54.91 54.00 2doa h ALA 29 Cb 0.91 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 2doa h ALA 29 CO 0.07 0.95 -0.92 1.49 0.00 0.00 0.00 179.25 180.84 2doa h GLU 30 N 0.07 0.15 0.08 0.00 4.22 -1.92 -3.07 114.58 114.11 2doa h GLU 30 Ca -0.03 -0.18 -0.29 0.00 0.08 0.00 0.00 59.36 58.94 2doa h GLU 30 Cb 1.49 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 30.77 2doa h GLU 30 CO 0.12 0.97 -1.52 1.25 -2.18 0.00 0.00 179.01 177.65 2doa h LEU 31 N 0.07 0.26 0.34 1.64 5.85 -0.90 -3.20 115.31 119.38 2doa h LEU 31 Ca -0.04 -0.39 -0.02 0.00 0.84 0.00 0.00 57.88 58.27 2doa h LEU 31 Cb 1.58 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 42.53 2doa h LEU 31 CO 0.14 1.33 -0.16 -0.07 -0.34 0.00 0.00 178.44 179.33 2doa h LEU 32 N 0.05 -0.39 -1.43 2.25 3.38 -1.02 -0.98 115.31 117.17 2doa h LEU 32 Ca -0.23 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.72 2doa h LEU 32 Cb 1.98 0.10 -0.02 0.00 0.09 0.00 0.00 40.66 42.81 2doa h LEU 32 CO 0.14 -0.27 0.13 -0.07 0.09 0.00 0.00 178.44 178.46 2doa h LEU 33 N -0.47 0.46 -0.03 1.67 3.38 -1.70 -2.23 115.31 116.40 2doa h LEU 33 Ca -0.05 -0.05 -0.00 0.00 0.09 0.00 0.00 57.88 57.87 2doa h LEU 33 Cb 0.36 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.99 2doa h LEU 33 CO 0.08 0.44 0.01 0.03 0.09 0.00 0.00 178.44 179.08 2doa h ARG 34 N 0.51 0.04 -0.12 1.13 2.47 -1.46 -2.77 114.38 114.18 2doa h ARG 34 Ca 0.13 -0.01 -0.02 0.00 -1.26 0.00 0.00 59.98 58.82 2doa h ARG 34 Cb 0.13 -0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 28.44 2doa h ARG 34 CO -0.01 0.23 0.01 -0.07 0.56 0.00 0.00 179.97 180.69 2doa h LEU 35 N -0.15 0.15 -1.69 3.04 3.38 -0.91 -1.71 115.31 117.42 2doa h LEU 35 Ca 0.01 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 2doa h LEU 35 Cb 0.20 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 2doa h LEU 35 CO -0.00 0.18 0.10 -0.61 0.09 0.00 0.00 178.44 178.21 2doa h GLN 36 N 0.17 0.30 -0.14 1.13 4.15 -1.12 0.84 115.11 120.46 2doa h GLN 36 Ca 0.04 -0.03 -0.00 0.00 0.77 0.00 0.00 58.65 59.44 2doa h GLN 36 Cb 0.11 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 27.73 2doa h GLN 36 CO 0.00 0.25 0.08 0.87 -1.93 0.00 0.00 178.83 178.10 2doa h LYS 37 N 0.31 0.18 0.00 1.69 1.79 -1.21 -3.31 116.57 116.02 2doa h LYS 37 Ca 0.08 -0.01 -0.14 0.00 -2.18 0.00 0.00 60.65 58.40 2doa h LYS 37 Cb 0.04 -0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 30.63 2doa h LYS 37 CO -0.01 0.13 -1.34 -0.25 -1.08 0.00 0.00 179.45 176.90 2doa n ASP 38 N -4.51 1.71 -3.54 0.86 9.92 -0.58 -5.05 116.55 115.36 2doa n ASP 38 Ca -0.01 0.29 -0.01 0.00 -0.53 0.00 0.00 54.79 54.53 2doa n ASP 38 Cb 0.09 -0.66 -0.04 0.00 -0.64 0.00 0.00 41.12 39.86 2doa n ASP 38 CO 0.00 0.00 0.00 -0.83 0.13 0.00 0.00 177.20 176.50 2doa s GLY 39 N -4.98 -0.44 -0.26 0.44 0.00 0.28 -4.97 107.32 97.39 2doa s GLY 39 Ca -0.26 2.71 -0.27 0.00 0.00 0.00 0.00 44.72 46.89 2doa s GLY 39 CO 0.37 3.05 1.26 -2.27 0.00 0.00 0.00 173.10 175.51 2doa s LEU 40 N 2.49 -0.18 0.00 0.66 2.96 -1.25 -4.33 118.68 119.04 2doa s LEU 40 Ca -0.05 0.26 0.00 0.00 -0.22 0.00 0.00 54.13 54.12 2doa s LEU 40 Cb -0.08 1.38 0.00 0.00 0.50 0.00 0.00 46.19 47.98 2doa s LEU 40 CO -0.18 -0.11 0.00 0.35 -1.32 0.00 0.00 176.35 175.09 2doa n THR 41 N 1.14 0.00 0.00 3.68 -2.24 -1.26 -4.88 114.28 110.72 2doa n THR 41 Ca -0.07 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.71 2doa n THR 41 Cb 0.58 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.81 2doa n THR 41 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 2doa n GLN 42 N -1.78 0.00 -0.14 -0.78 -0.06 -1.26 -4.80 117.38 108.57 2doa n GLN 42 Ca 0.00 0.00 -0.08 0.00 -2.00 0.00 0.00 57.00 54.92 2doa n GLN 42 Cb 0.00 -0.14 0.01 0.00 -4.06 0.00 0.00 30.24 26.05 2doa n GLN 42 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 2doa h ALA 43 N 0.00 0.54 -0.03 1.69 0.00 -2.00 -2.16 119.26 117.30 2doa h ALA 43 Ca 0.00 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 2doa h ALA 43 Cb 0.00 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 2doa h ALA 43 CO 0.00 -0.02 -0.37 -0.44 0.00 0.00 0.00 179.25 178.42 2doa h ASP 44 N 0.56 0.06 0.97 0.00 3.32 -1.95 -2.70 116.42 116.67 2doa h ASP 44 Ca 0.16 -0.02 -0.05 0.00 0.02 0.00 0.00 57.03 57.14 2doa h ASP 44 Cb -0.05 -0.02 0.01 0.00 0.22 0.00 0.00 39.33 39.49 2doa h ASP 44 CO -0.04 0.43 -0.46 0.11 -1.72 0.00 0.00 179.24 177.55 2doa h LYS 45 N 0.05 -1.25 -0.18 3.56 1.57 -1.71 0.37 116.57 118.98 2doa h LYS 45 Ca 0.00 0.09 0.03 0.00 -1.87 0.00 0.00 60.65 58.90 2doa h LYS 45 Cb 0.68 0.28 -0.01 0.00 0.08 0.00 0.00 32.23 33.27 2doa h LYS 45 CO 0.05 -0.83 0.13 0.22 -0.57 0.00 0.00 179.45 178.45 2doa h ASP 46 N -1.32 0.09 0.95 0.86 1.82 -1.48 -0.99 116.42 116.35 2doa h ASP 46 Ca -0.13 -0.00 -0.17 0.00 -0.39 0.00 0.00 57.03 56.34 2doa h ASP 46 Cb 0.99 -0.02 -0.02 0.00 0.68 0.00 0.00 39.33 40.96 2doa h ASP 46 CO 0.22 0.06 -0.80 0.00 -1.61 0.00 0.00 179.24 177.11 2doa h ALA 47 N 1.90 0.59 0.15 -0.78 0.00 -1.20 -3.23 119.26 116.69 2doa h ALA 47 Ca 0.08 -0.73 -0.00 0.00 0.00 0.00 0.00 54.91 54.26 2doa h ALA 47 Cb 0.19 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 2doa h ALA 47 CO -0.01 1.00 -0.09 1.25 0.00 0.00 0.00 179.25 181.40 2doa h LEU 48 N 0.00 -0.23 -0.49 0.00 5.85 0.12 0.06 115.31 120.62 2doa h LEU 48 Ca -0.01 0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.75 2doa h LEU 48 Cb 1.49 0.07 -0.03 0.00 0.37 0.00 0.00 40.66 42.56 2doa h LEU 48 CO 0.10 -0.15 0.29 -0.78 -0.34 0.00 0.00 178.44 177.56 2doa h ASP 49 N -0.23 0.46 0.49 1.25 3.58 -1.63 0.22 116.42 120.56 2doa h ASP 49 Ca -0.01 0.01 -0.03 0.00 0.42 0.00 0.00 57.03 57.41 2doa h ASP 49 Cb 0.20 -0.09 -0.00 0.00 1.72 0.00 0.00 39.33 41.15 2doa h ASP 49 CO 0.01 0.32 -0.17 1.23 -2.88 0.00 0.00 179.24 177.76 2doa h GLY 50 N 0.57 0.00 0.29 -0.78 0.00 -1.53 -2.65 103.07 98.97 2doa h GLY 50 Ca 0.20 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.35 2doa h GLY 50 CO -0.10 0.00 -0.89 -2.00 0.00 0.00 0.00 176.54 173.56 2doa h LEU 51 N 0.00 0.20 -1.94 3.11 5.85 -0.08 -3.28 115.31 119.17 2doa h LEU 51 Ca -0.00 -0.83 0.09 0.00 0.84 0.00 0.00 57.88 57.98 2doa h LEU 51 Cb 0.46 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.40 2doa h LEU 51 CO 0.02 1.38 0.25 -0.07 -0.34 0.00 0.00 178.44 179.69 2doa h LEU 52 N -0.67 0.06 -0.73 2.25 3.38 -0.55 0.71 115.31 119.77 2doa h LEU 52 Ca -0.20 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.72 2doa h LEU 52 Cb 1.43 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 42.16 2doa h LEU 52 CO -0.00 0.04 -0.24 1.56 0.09 0.00 0.00 178.44 179.89 2doa h GLN 53 N 0.07 0.00 0.00 1.13 1.08 -1.59 -1.47 115.11 114.33 2doa h GLN 53 Ca 0.17 0.00 -0.28 0.00 -1.45 0.00 0.00 58.65 57.09 2doa h GLN 53 Cb 0.58 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 27.97 2doa h GLN 53 CO -0.01 0.24 -1.83 1.04 -0.95 0.00 0.00 178.83 177.31 2doa n GLN 54 N -3.28 0.56 -1.06 1.46 6.02 0.46 -4.50 117.38 117.05 2doa n GLN 54 Ca 0.01 0.31 -0.23 0.00 -0.01 0.00 0.00 57.00 57.08 2doa n GLN 54 Cb 0.50 -1.52 0.12 0.00 1.02 0.00 0.00 30.24 30.36 2doa n GLN 54 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.06 177.38 2doa n VAL 55 N -4.36 2.98 -3.61 5.09 0.24 0.22 -4.92 118.33 113.97 2doa n VAL 55 Ca -0.38 -1.88 0.00 0.00 -2.04 0.00 0.00 64.34 60.04 2doa n VAL 55 Cb 0.72 -0.81 -0.01 0.00 -1.47 0.00 0.00 33.84 32.27 2doa n VAL 55 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2doa s ALA 56 N -2.81 -2.23 -0.13 2.33 0.00 -0.55 -4.41 121.76 113.96 2doa s ALA 56 Ca 0.48 1.00 0.02 0.00 0.00 0.00 0.00 51.96 53.47 2doa s ALA 56 Cb 0.40 0.19 0.00 0.00 0.00 0.00 0.00 23.12 23.71 2doa s ALA 56 CO 0.05 -0.92 -0.20 -0.80 0.00 0.00 0.00 175.76 173.89 2doa s ASN 57 N -2.74 3.31 0.06 0.00 0.01 -0.50 -4.24 114.94 110.84 2doa s ASN 57 Ca 0.13 -0.53 -0.22 0.00 -0.71 0.00 0.00 52.86 51.53 2doa s ASN 57 Cb 0.03 -1.47 -0.06 0.00 0.41 0.00 0.00 41.25 40.16 2doa s ASN 57 CO -0.04 0.12 0.64 -0.32 -1.51 0.00 0.00 177.10 175.99 2doa s MET 58 N 0.58 4.34 0.96 -0.60 1.75 -1.26 -2.37 119.30 122.70 2doa s MET 58 Ca -0.12 0.85 -0.13 0.00 -1.25 0.00 0.00 55.69 55.05 2doa s MET 58 Cb -0.16 -3.29 0.17 0.00 2.84 0.00 0.00 34.83 34.38 2doa s MET 58 CO 0.04 0.49 1.13 0.45 -0.65 0.00 0.00 175.02 176.47 2doa s SER 59 N -0.67 3.03 -0.22 1.11 0.15 -1.19 -4.97 113.70 110.94 2doa s SER 59 Ca 0.32 0.98 0.11 0.00 0.70 0.00 0.00 55.95 58.06 2doa s SER 59 Cb -0.20 -1.54 0.43 0.00 -1.71 0.00 0.00 66.02 63.00 2doa s SER 59 CO 0.20 -2.85 1.21 0.00 1.20 0.00 0.00 173.24 173.00 2doa n ALA 60 N -3.97 3.86 0.06 5.45 0.00 -1.26 -4.57 120.51 120.08 2doa n ALA 60 Ca 0.07 -3.35 0.00 0.00 0.00 0.00 0.00 53.44 50.16 2doa n ALA 60 Cb 0.59 -0.37 0.00 0.00 0.00 0.00 0.00 19.45 19.66 2doa n ALA 60 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2doa n LYS 61 N -0.94 0.00 -0.05 0.00 5.02 -1.26 -5.03 118.16 115.90 2doa n LYS 61 Ca 0.23 0.00 -0.06 0.00 -2.02 0.00 0.00 58.31 56.47 2doa n LYS 61 Cb 0.77 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 35.76 2doa n LYS 61 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2doa n ASP 62 N -2.78 1.35 0.00 4.39 8.00 -1.26 -5.07 116.55 121.17 2doa n ASP 62 Ca 0.00 0.22 0.00 0.00 0.71 0.00 0.00 54.79 55.72 2doa n ASP 62 Cb 0.00 -0.61 0.00 0.00 -0.02 0.00 0.00 41.12 40.49 2doa n ASP 62 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2doa n GLY 63 N 1.83 0.71 3.71 0.44 0.00 -1.26 -5.01 105.19 105.60 2doa n GLY 63 Ca -0.09 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.57 2doa n GLY 63 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2doa s THR 64 N -1.25 5.36 -0.10 2.61 2.01 -1.26 -3.56 115.64 119.45 2doa s THR 64 Ca 0.00 0.31 -0.20 0.00 0.31 0.00 0.00 61.69 62.11 2doa s THR 64 Cb 0.00 -3.53 -0.04 0.00 0.01 0.00 0.00 72.50 68.94 2doa s THR 64 CO 0.00 0.39 0.54 0.00 -0.69 0.00 0.00 174.62 174.86 2doa s THR 66 N 0.66 2.02 0.52 0.00 -4.23 -1.00 -1.11 115.64 112.50 2doa s THR 66 Ca 0.29 -1.08 -0.22 0.00 -1.18 0.00 0.00 61.69 59.50 2doa s THR 66 Cb -0.16 -1.69 -0.06 0.00 1.34 0.00 0.00 72.50 71.94 2doa s THR 66 CO 0.12 0.57 1.28 -0.22 -0.54 0.00 0.00 174.62 175.83 2doa s LEU 67 N -0.44 3.90 0.87 4.79 2.96 -1.26 -1.41 118.68 128.10 2doa s LEU 67 Ca 0.05 2.57 -0.12 0.00 -0.22 0.00 0.00 54.13 56.41 2doa s LEU 67 Cb -0.11 -4.28 0.12 0.00 0.50 0.00 0.00 46.19 42.41 2doa s LEU 67 CO 0.01 -1.33 1.14 -1.10 -1.32 0.00 0.00 176.35 173.75 2doa s GLN 68 N -2.85 1.45 0.23 1.98 -0.21 -1.26 -4.88 119.66 114.11 2doa s GLN 68 Ca 0.69 0.31 0.09 0.00 0.02 0.00 0.00 55.36 56.47 2doa s GLN 68 Cb -0.35 -1.87 0.20 0.00 1.00 0.00 0.00 33.01 31.98 2doa s GLN 68 CO 0.42 -1.99 1.52 -0.44 -2.12 0.00 0.00 175.29 172.68 2doa h ASP 69 N -1.35 0.01 0.23 5.90 5.19 -1.96 -3.12 116.42 121.33 2doa h ASP 69 Ca -0.49 -0.01 -0.35 0.00 -0.62 0.00 0.00 57.03 55.57 2doa h ASP 69 Cb 1.32 -0.00 0.02 0.00 0.18 0.00 0.00 39.33 40.85 2doa h ASP 69 CO 0.62 0.73 -1.65 0.00 -3.12 0.00 0.00 179.24 175.82 2doa h MET 71 N 0.12 0.00 -0.31 0.00 2.86 -1.95 -1.33 114.93 114.32 2doa h MET 71 Ca -0.31 0.00 0.09 0.00 -2.06 0.00 0.00 59.70 57.42 2doa h MET 71 Cb 2.12 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 33.77 2doa h MET 71 CO 0.21 0.00 0.24 1.88 1.06 0.00 0.00 176.91 180.30 2doa h TYR 72 N 0.00 0.00 -0.06 -0.22 0.05 -1.63 0.51 116.97 115.63 2doa h TYR 72 Ca 0.03 0.00 -0.10 0.00 0.05 0.00 0.00 58.73 58.71 2doa h TYR 72 Cb 0.15 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.88 2doa h TYR 72 CO 0.00 0.00 -0.41 0.87 -1.05 0.00 0.00 178.16 177.57 2doa h LYS 73 N 0.00 0.12 0.00 4.88 1.57 -1.45 -2.68 116.57 119.01 2doa h LYS 73 Ca 0.15 -0.06 -0.04 0.00 -1.87 0.00 0.00 60.65 58.83 2doa h LYS 73 Cb 0.63 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.93 2doa h LYS 73 CO -0.00 0.52 -0.21 -0.44 -0.57 0.00 0.00 179.45 178.75 2doa h ASP 74 N 0.10 0.00 -3.51 0.86 3.32 -1.03 -3.44 116.42 112.72 2doa h ASP 74 Ca 0.01 0.00 -0.56 0.00 0.02 0.00 0.00 57.03 56.50 2doa h ASP 74 Cb 0.77 0.00 0.12 0.00 0.22 0.00 0.00 39.33 40.44 2doa h ASP 74 CO 0.06 0.21 0.52 0.52 -1.72 0.00 0.00 179.24 178.82 2doa n VAL 75 N -3.96 2.36 -3.72 -1.35 0.31 -1.01 -5.01 118.33 105.94 2doa n VAL 75 Ca -0.02 -0.50 -0.24 0.00 -0.01 0.00 0.00 64.34 63.57 2doa n VAL 75 Cb 0.29 -1.60 -0.00 0.00 -0.91 0.00 0.00 33.84 31.62 2doa n VAL 75 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 2doa s GLN 76 N -2.11 2.31 -0.07 5.55 -0.21 -1.26 -5.06 119.66 118.81 2doa s GLN 76 Ca 0.59 -1.88 0.09 0.00 0.02 0.00 0.00 55.36 54.18 2doa s GLN 76 Cb -0.52 -2.22 -0.13 0.00 1.00 0.00 0.00 33.01 31.13 2doa s GLN 76 CO 0.60 -0.56 0.10 1.63 -2.12 0.00 0.00 175.29 174.93 2doa n LYS 77 N -1.78 1.71 -1.22 2.91 5.02 -1.26 -4.58 118.16 118.95 2doa n LYS 77 Ca 0.02 -0.04 -0.29 0.00 -2.02 0.00 0.00 58.31 55.98 2doa n LYS 77 Cb 0.63 -1.25 0.06 0.00 -0.02 0.00 0.00 35.03 34.45 2doa n LYS 77 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 2doa n ASP 78 N -2.19 7.26 -4.70 4.39 2.03 -1.26 -4.97 116.55 117.11 2doa n ASP 78 Ca -0.11 -3.53 -0.42 0.00 0.52 0.00 0.00 54.79 51.24 2doa n ASP 78 Cb 0.64 -1.02 -0.03 0.00 -0.72 0.00 0.00 41.12 39.99 2doa n ASP 78 CO 0.00 0.00 0.00 0.86 -1.92 0.00 0.00 177.20 176.14 2doa s TRP 79 N -3.11 3.25 -0.78 -0.67 -0.11 -1.26 -4.92 118.94 111.33 2doa s TRP 79 Ca 0.53 1.21 -0.08 0.00 1.22 0.00 0.00 56.10 58.98 2doa s TRP 79 Cb 0.41 -3.44 -0.18 0.00 -1.50 0.00 0.00 33.47 28.76 2doa s TRP 79 CO -0.04 -1.39 3.30 -0.35 -4.62 0.00 0.00 176.95 173.85 2doa n PRO 80 N 4.75 2.83 0.00 5.86 -0.04 -1.26 -3.78 135.00 143.35 2doa n PRO 80 Ca 0.10 -1.59 0.00 0.00 -0.04 0.00 0.00 63.50 61.97 2doa n PRO 80 Cb 0.46 -2.38 0.00 0.00 -0.04 0.00 0.00 33.50 31.54 2doa n PRO 80 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2doa n GLY 81 N 2.99 -0.01 1.03 0.55 0.00 -1.26 -4.10 105.19 104.39 2doa n GLY 81 Ca 0.60 -0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.53 2doa n GLY 81 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2doa n TYR 82 N -1.99 -3.02 0.12 1.61 4.01 -1.25 -5.04 117.16 111.60 2doa n TYR 82 Ca 0.00 -0.28 0.00 0.00 -0.16 0.00 0.00 57.90 57.46 2doa n TYR 82 Cb 0.00 -0.36 0.00 0.00 -0.31 0.00 0.00 39.34 38.67 2doa n TYR 82 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 2doa n SER 83 N -3.67 -1.10 0.20 7.72 2.88 -1.26 -5.00 113.62 113.38 2doa n SER 83 Ca 0.04 0.42 0.00 0.00 -1.33 0.00 0.00 58.87 58.00 2doa n SER 83 Cb 0.18 1.19 0.00 0.00 -0.75 0.00 0.00 64.21 64.83 2doa n SER 83 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 2doa n GLU 84 N -3.12 0.00 0.24 -1.46 4.07 -1.26 -4.85 120.64 114.27 2doa n GLU 84 Ca 0.00 0.00 0.07 0.00 -0.06 0.00 0.00 57.16 57.17 2doa n GLU 84 Cb 0.00 0.00 0.59 0.00 -0.06 0.00 0.00 31.44 31.97 2doa n GLU 84 CO 0.00 0.00 0.00 0.78 -0.06 0.00 0.00 177.13 177.85 2doa h GLY 85 N 0.00 0.00 0.99 8.31 0.00 -1.99 -1.82 103.07 108.56 2doa h GLY 85 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 47.33 46.99 2doa h GLY 85 CO 0.00 0.00 -1.71 -0.55 0.00 0.00 0.00 176.54 174.28 2doa h ASP 86 N 0.00 0.49 -0.33 0.19 3.32 -1.97 -2.78 116.42 115.35 2doa h ASP 86 Ca -0.00 -0.76 -0.03 0.00 0.02 0.00 0.00 57.03 56.25 2doa h ASP 86 Cb 0.20 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.57 2doa h ASP 86 CO 0.01 1.65 0.11 1.56 -1.72 0.00 0.00 179.24 180.86 2doa h GLN 87 N 0.09 0.58 0.15 3.56 4.20 -1.82 -0.82 115.11 121.04 2doa h GLN 87 Ca -0.32 -0.09 -0.30 0.00 0.06 0.00 0.00 58.65 58.00 2doa h GLN 87 Cb 2.06 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 29.75 2doa h GLN 87 CO 0.16 0.52 -1.45 1.96 -0.67 0.00 0.00 178.83 179.35 2doa h GLN 88 N 0.57 0.31 -0.61 1.46 1.08 -1.46 -3.30 115.11 113.15 2doa h GLN 88 Ca 0.13 -0.53 -0.07 0.00 -1.45 0.00 0.00 58.65 56.73 2doa h GLN 88 Cb 0.19 0.20 -0.03 0.00 -0.05 0.00 0.00 27.48 27.79 2doa h GLN 88 CO -0.01 1.21 0.09 1.25 -0.95 0.00 0.00 178.83 180.43 2doa h LEU 89 N 0.08 0.95 -1.82 1.46 5.85 -1.21 -2.47 115.31 118.16 2doa h LEU 89 Ca -0.22 -0.22 -0.02 0.00 0.84 0.00 0.00 57.88 58.27 2doa h LEU 89 Cb 2.03 -0.25 -0.00 0.00 0.37 0.00 0.00 40.66 42.81 2doa h LEU 89 CO 0.19 0.96 -0.10 0.25 -0.34 0.00 0.00 178.44 179.40 2doa h LEU 90 N 0.94 0.00 0.59 2.25 5.85 -1.26 -2.66 115.31 121.01 2doa h LEU 90 Ca 0.19 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.88 2doa h LEU 90 Cb 0.41 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.45 2doa h LEU 90 CO 0.01 0.10 -0.28 0.11 -0.34 0.00 0.00 178.44 178.04 2doa h LYS 91 N 0.00 -0.76 -0.24 1.25 1.57 -1.52 0.13 116.57 117.00 2doa h LYS 91 Ca -0.00 0.05 0.07 0.00 -1.87 0.00 0.00 60.65 58.90 2doa h LYS 91 Cb 0.17 0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.65 2doa h LYS 91 CO 0.01 -0.45 0.20 0.07 -0.57 0.00 0.00 179.45 178.71 2doa h ARG 92 N -1.00 0.00 0.01 3.15 0.11 -1.50 0.92 114.38 116.06 2doa h ARG 92 Ca -0.08 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 59.99 2doa h ARG 92 Cb 0.66 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.74 2doa h ARG 92 CO 0.13 0.00 -0.06 0.28 0.10 0.00 0.00 179.97 180.43 2doa h VAL 93 N 0.00 1.71 -0.72 0.08 2.07 -1.28 -2.51 116.25 115.61 2doa h VAL 93 Ca 0.11 -2.17 -0.03 0.00 0.82 0.00 0.00 66.70 65.43 2doa h VAL 93 Cb 0.51 3.19 -0.03 0.00 -1.52 0.00 0.00 31.29 33.43 2doa h VAL 93 CO -0.00 0.57 0.31 -0.07 0.02 0.00 0.00 177.57 178.40 2doa h LEU 94 N -0.87 0.97 -1.02 2.57 3.38 -0.22 0.63 115.31 120.75 2doa h LEU 94 Ca -0.01 -0.15 -0.10 0.00 0.09 0.00 0.00 57.88 57.71 2doa h LEU 94 Cb 0.96 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.45 2doa h LEU 94 CO 0.01 0.85 -0.45 0.58 0.09 0.00 0.00 178.44 179.53 2doa h VAL 95 N 1.02 1.33 0.03 1.22 2.07 -0.96 0.56 116.25 121.52 2doa h VAL 95 Ca 0.24 -1.57 -0.27 0.00 0.82 0.00 0.00 66.70 65.93 2doa h VAL 95 Cb 0.17 1.80 -0.03 0.00 -1.52 0.00 0.00 31.29 31.70 2doa h VAL 95 CO -0.03 0.46 -1.41 -0.09 0.02 0.00 0.00 177.57 176.52 2doa h ARG 96 N 0.07 0.07 0.00 1.57 9.65 -0.98 -3.39 114.38 121.37 2doa h ARG 96 Ca 0.00 -0.11 -0.04 0.00 -1.10 0.00 0.00 59.98 58.73 2doa h ARG 96 Cb 0.82 0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 29.44 2doa h ARG 96 CO 0.06 0.84 -0.41 0.87 2.80 0.00 0.00 179.97 184.14 2doa h LYS 97 N 0.02 0.00 -7.53 0.20 1.79 0.38 -3.48 116.57 107.95 2doa h LYS 97 Ca -0.18 0.00 -0.44 0.00 -2.18 0.00 0.00 60.65 57.86 2doa h LYS 97 Cb 1.92 0.00 0.16 0.00 -1.58 0.00 0.00 32.23 32.74 2doa h LYS 97 CO 0.12 0.33 0.26 -0.51 -1.08 0.00 0.00 179.45 178.57 2doa s LEU 98 N -8.26 1.64 -0.12 2.94 1.43 0.19 -5.03 118.68 111.47 2doa s LEU 98 Ca -0.13 0.68 0.02 0.00 -1.03 0.00 0.00 54.13 53.66 2doa s LEU 98 Cb 0.01 -2.69 -0.09 0.00 0.03 0.00 0.00 46.19 43.46 2doa s LEU 98 CO 0.29 -3.26 -0.09 -1.54 0.23 0.00 0.00 176.35 171.98 2doa n SER 99 N -4.19 2.95 0.00 2.29 3.41 -1.26 -4.73 113.62 112.09 2doa n SER 99 Ca 0.11 -0.06 0.00 0.00 -0.26 0.00 0.00 58.87 58.66 2doa n SER 99 Cb 0.59 -0.08 0.00 0.00 -0.26 0.00 0.00 64.21 64.47 2doa n SER 99 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2doa n GLY 100 N 2.83 0.05 3.56 5.00 0.00 -1.26 -5.07 105.19 110.29 2doa n GLY 100 Ca -0.22 0.03 -0.30 0.00 0.00 0.00 0.00 46.02 45.53 2doa n GLY 100 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2doa s PRO 101 N 0.00 2.60 -0.15 1.61 0.04 -1.26 -4.68 135.00 133.16 2doa s PRO 101 Ca 0.00 -0.05 0.24 0.00 0.04 0.00 0.00 61.00 61.23 2doa s PRO 101 Cb 0.00 -4.87 0.48 0.00 0.04 0.00 0.00 34.50 30.15 2doa s PRO 101 CO 0.00 -3.16 1.14 0.43 0.04 0.00 0.00 177.00 175.45 2doa n SER 102 N 13.49 1.39 -4.42 6.66 7.64 -1.26 -5.02 113.62 132.10 2doa n SER 102 Ca 0.34 -2.06 -0.30 0.00 1.01 0.00 0.00 58.87 57.86 2doa n SER 102 Cb 0.48 -0.40 -0.07 0.00 -1.01 0.00 0.00 64.21 63.21 2doa n SER 102 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2doa n SER 103 N -0.16 2.85 0.00 6.43 7.64 -1.26 -5.33 113.62 123.79 2doa n SER 103 Ca 0.07 -2.68 0.00 0.00 1.01 0.00 0.00 58.87 57.27 2doa n SER 103 Cb 0.95 -1.63 0.00 0.00 -1.01 0.00 0.00 64.21 62.52 2doa n SER 103 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64