#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 5.49 0.16 1.61 0.01 -1.26 -5.12 113.70 114.59 2doa s SER 2 Ca 0.00 0.09 -0.01 0.00 1.31 0.00 0.00 55.95 57.34 2doa s SER 2 Cb 0.00 -1.53 -0.04 0.00 0.21 0.00 0.00 66.02 64.66 2doa s SER 2 CO 0.00 0.27 0.09 -0.44 0.41 0.00 0.00 173.24 173.57 2doa s SER 3 N -1.71 0.25 0.00 2.44 0.01 -1.26 -5.03 113.70 108.39 2doa s SER 3 Ca 0.22 -1.26 0.00 0.00 1.31 0.00 0.00 55.95 56.23 2doa s SER 3 Cb -0.12 0.33 0.00 0.00 0.21 0.00 0.00 66.02 66.44 2doa s SER 3 CO 0.13 -0.77 0.00 0.61 0.41 0.00 0.00 173.24 173.62 2doa n GLY 4 N -0.16 -0.86 3.61 3.44 0.00 -1.26 -5.11 105.19 104.84 2doa n GLY 4 Ca -0.03 -1.60 -0.08 0.00 0.00 0.00 0.00 46.02 44.32 2doa n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2doa s SER 5 N -1.20 -0.28 0.28 1.61 0.15 -1.26 -5.05 113.70 107.95 2doa s SER 5 Ca 0.00 0.38 0.00 0.00 0.70 0.00 0.00 55.95 57.03 2doa s SER 5 Cb 0.00 0.32 0.00 0.00 -1.71 0.00 0.00 66.02 64.63 2doa s SER 5 CO 0.00 -0.22 0.00 -1.20 1.20 0.00 0.00 173.24 173.02 2doa n SER 6 N 1.01 -2.52 0.00 5.45 7.64 -1.26 -5.05 113.62 118.89 2doa n SER 6 Ca -0.08 0.75 0.00 0.00 1.01 0.00 0.00 58.87 60.54 2doa n SER 6 Cb 0.58 2.53 0.00 0.00 -1.01 0.00 0.00 64.21 66.31 2doa n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2doa n GLY 7 N -1.29 0.01 0.22 0.23 0.00 -1.26 -4.96 105.19 98.13 2doa n GLY 7 Ca 0.00 -0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.03 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 0.00 1.22 -0.05 1.61 2.07 -1.94 -2.41 116.25 116.76 2doa h VAL 8 Ca 0.00 -1.04 -0.14 0.00 0.82 0.00 0.00 66.70 66.34 2doa h VAL 8 Cb 0.00 1.41 -0.01 0.00 -1.52 0.00 0.00 31.29 31.16 2doa h VAL 8 CO 0.00 0.31 -0.60 -1.28 0.02 0.00 0.00 177.57 176.03 2doa h SER 9 N 0.18 0.18 -0.20 0.57 0.87 -1.93 -3.15 113.55 110.06 2doa h SER 9 Ca 0.03 -0.10 -0.20 0.00 -1.23 0.00 0.00 61.79 60.29 2doa h SER 9 Cb 0.53 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.44 2doa h SER 9 CO 0.04 0.73 -0.64 -0.61 -0.53 0.00 0.00 176.83 175.82 2doa h GLN 10 N 0.12 0.82 -7.22 2.24 4.15 -1.84 -3.45 115.11 109.93 2doa h GLN 10 Ca -0.01 -0.58 -0.53 0.00 0.77 0.00 0.00 58.65 58.31 2doa h GLN 10 Cb 1.08 0.09 0.16 0.00 0.21 0.00 0.00 27.48 29.03 2doa h GLN 10 CO 0.09 1.20 0.34 1.03 -1.93 0.00 0.00 178.83 179.56 2doa s ARG 11 N -3.96 1.90 0.92 1.69 1.81 -0.95 -4.99 118.95 115.36 2doa s ARG 11 Ca -0.10 1.63 -0.12 0.00 -1.72 0.00 0.00 55.73 55.42 2doa s ARG 11 Cb 0.10 -1.82 0.19 0.00 -0.45 0.00 0.00 34.95 32.97 2doa s ARG 11 CO 0.89 -1.99 0.42 -2.30 -0.68 0.00 0.00 175.30 171.65 2doa n PRO 12 N -3.17 -1.67 0.01 3.54 -0.02 -1.26 -4.89 135.00 127.54 2doa n PRO 12 Ca 0.12 -0.71 -0.19 0.00 -2.02 0.00 0.00 63.50 60.70 2doa n PRO 12 Cb 0.51 -1.32 -0.14 0.00 -0.02 0.00 0.00 33.50 32.53 2doa n PRO 12 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 2doa h PHE 13 N -2.76 0.42 -0.05 6.00 3.57 -1.94 -3.32 116.94 118.87 2doa h PHE 13 Ca -0.19 -0.30 -0.04 0.00 3.53 0.00 0.00 57.97 60.96 2doa h PHE 13 Cb 0.65 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.37 2doa h PHE 13 CO 0.00 1.62 -0.17 -0.09 -2.23 0.00 0.00 178.31 177.44 2doa h ARG 14 N 0.06 0.07 -0.30 1.11 2.43 -1.99 -2.49 114.38 113.28 2doa h ARG 14 Ca -0.38 -0.02 -0.14 0.00 -0.81 0.00 0.00 59.98 58.63 2doa h ARG 14 Cb 2.04 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 31.57 2doa h ARG 14 CO 0.10 0.24 -0.34 -0.44 -1.51 0.00 0.00 179.97 178.02 2doa h ASP 15 N 0.07 0.82 -0.30 -3.80 5.19 -1.93 0.20 116.42 116.67 2doa h ASP 15 Ca 0.01 -0.48 -0.01 0.00 -0.62 0.00 0.00 57.03 55.93 2doa h ASP 15 Cb 0.34 -0.23 -0.01 0.00 0.18 0.00 0.00 39.33 39.60 2doa h ASP 15 CO 0.02 1.14 0.14 0.03 -3.12 0.00 0.00 179.24 177.45 2doa h ARG 16 N 0.52 0.44 -0.03 3.56 3.08 -1.57 0.22 114.38 120.60 2doa h ARG 16 Ca 0.04 -0.07 -0.19 0.00 0.07 0.00 0.00 59.98 59.83 2doa h ARG 16 Cb 0.93 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.89 2doa h ARG 16 CO 0.08 0.43 -0.80 0.28 -1.07 0.00 0.00 179.97 178.90 2doa h VAL 17 N 0.34 1.44 -0.02 2.04 2.07 -1.47 -2.47 116.25 118.18 2doa h VAL 17 Ca 0.10 -2.36 -0.10 0.00 0.82 0.00 0.00 66.70 65.16 2doa h VAL 17 Cb 0.14 2.29 -0.01 0.00 -1.52 0.00 0.00 31.29 32.18 2doa h VAL 17 CO -0.01 0.70 -0.47 0.25 0.02 0.00 0.00 177.57 178.05 2doa h LEU 18 N 0.17 0.06 0.02 2.57 5.85 -0.43 -2.77 115.31 120.79 2doa h LEU 18 Ca -0.04 -0.03 -0.23 0.00 0.84 0.00 0.00 57.88 58.43 2doa h LEU 18 Cb 1.39 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 42.37 2doa h LEU 18 CO 0.13 0.53 -1.09 0.45 -0.34 0.00 0.00 178.44 178.11 2doa h HIS 19 N 0.05 0.08 0.30 1.25 3.86 -0.91 -3.02 115.15 116.75 2doa h HIS 19 Ca -0.00 -0.06 -0.01 0.00 -1.16 0.00 0.00 60.37 59.14 2doa h HIS 19 Cb 0.86 -0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.33 2doa h HIS 19 CO 0.00 1.05 -0.14 -0.07 0.86 0.00 0.00 177.93 179.63 2doa h LEU 20 N 0.01 -0.34 -1.80 2.43 3.38 -1.28 -2.99 115.31 114.73 2doa h LEU 20 Ca -0.05 -0.15 -0.03 0.00 0.09 0.00 0.00 57.88 57.74 2doa h LEU 20 Cb 1.82 0.09 -0.00 0.00 0.09 0.00 0.00 40.66 42.65 2doa h LEU 20 CO 0.14 -0.03 -0.15 -0.07 0.09 0.00 0.00 178.44 178.42 2doa h LEU 21 N -0.66 0.00 -2.01 1.67 3.38 -1.63 -2.35 115.31 113.71 2doa h LEU 21 Ca -0.04 0.00 0.13 0.00 0.09 0.00 0.00 57.88 58.06 2doa h LEU 21 Cb 0.47 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 2doa h LEU 21 CO 0.07 0.15 0.32 0.00 0.09 0.00 0.00 178.44 179.07 2doa h ALA 22 N 1.85 2.39 -1.49 1.53 0.00 -1.38 -3.25 119.26 118.91 2doa h ALA 22 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2doa h ALA 22 Cb 0.31 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.13 2doa h ALA 22 CO 0.02 -0.54 0.00 1.28 0.00 0.00 0.00 179.25 180.00 2doa n LEU 23 N -4.36 1.22 -4.16 0.00 4.77 -0.89 -4.99 117.00 108.59 2doa n LEU 23 Ca 0.07 0.21 -0.10 0.00 -0.03 0.00 0.00 56.01 56.16 2doa n LEU 23 Cb 0.52 -0.25 -0.10 0.00 -2.33 0.00 0.00 43.42 41.26 2doa n LEU 23 CO 0.36 -0.25 -0.38 0.00 -1.33 0.00 0.00 177.39 175.79 2doa s ARG 24 N -0.50 0.83 0.19 3.23 1.70 -1.22 -5.07 118.95 118.09 2doa s ARG 24 Ca 0.00 -1.34 -0.33 0.00 -0.47 0.00 0.00 55.73 53.59 2doa s ARG 24 Cb 0.00 -0.15 -0.13 0.00 -0.57 0.00 0.00 34.95 34.10 2doa s ARG 24 CO 0.00 -0.04 1.56 -2.30 -1.08 0.00 0.00 175.30 173.44 2doa n PRO 25 N -0.04 2.22 -3.88 3.89 -0.02 -1.26 -4.35 135.00 131.57 2doa n PRO 25 Ca -0.12 0.80 -0.30 0.00 -2.02 0.00 0.00 63.50 61.86 2doa n PRO 25 Cb 0.61 -2.55 -0.16 0.00 -0.02 0.00 0.00 33.50 31.38 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 0.68 2.12 0.96 6.00 2.02 -0.40 -4.90 117.35 123.82 2doa s TYR 26 Ca 0.75 -1.64 -0.16 0.00 -0.37 0.00 0.00 57.07 55.65 2doa s TYR 26 Cb -0.64 -1.56 0.25 0.00 -0.40 0.00 0.00 41.96 39.61 2doa s TYR 26 CO 0.40 -0.76 0.56 0.54 -1.57 0.00 0.00 175.55 174.72 2doa n ARG 27 N 4.74 -3.90 0.10 -0.62 1.74 -1.26 -3.57 116.66 113.89 2doa n ARG 27 Ca -0.09 -0.95 -0.13 0.00 -0.77 0.00 0.00 57.85 55.91 2doa n ARG 27 Cb 0.44 -1.23 -0.08 0.00 -1.02 0.00 0.00 32.46 30.57 2doa n ARG 27 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 2doa h LYS 28 N 0.00 -0.26 -0.25 5.56 1.79 -1.98 -1.16 116.57 120.28 2doa h LYS 28 Ca -0.26 0.02 -0.20 0.00 -2.18 0.00 0.00 60.65 58.04 2doa h LYS 28 Cb 0.86 0.06 0.00 0.00 -1.58 0.00 0.00 32.23 31.57 2doa h LYS 28 CO 0.15 0.05 -0.61 0.00 -1.08 0.00 0.00 179.45 177.97 2doa h ALA 29 N 0.15 0.41 -0.02 3.86 0.00 -1.95 -0.10 119.26 121.61 2doa h ALA 29 Ca -0.03 -0.54 -0.02 0.00 0.00 0.00 0.00 54.91 54.33 2doa h ALA 29 Cb 0.43 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 2doa h ALA 29 CO 0.04 0.67 -0.08 0.93 0.00 0.00 0.00 179.25 180.82 2doa h GLU 30 N 0.62 0.02 0.06 0.00 4.39 -1.90 -0.93 114.58 116.85 2doa h GLU 30 Ca -0.01 -0.00 -0.31 0.00 0.34 0.00 0.00 59.36 59.38 2doa h GLU 30 Cb 1.23 -0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.84 2doa h GLU 30 CO 0.13 0.10 -1.74 1.25 -1.16 0.00 0.00 179.01 177.60 2doa h LEU 31 N 0.02 0.20 0.08 1.33 5.85 -1.11 -3.21 115.31 118.47 2doa h LEU 31 Ca 0.00 -0.40 -0.00 0.00 0.84 0.00 0.00 57.88 58.32 2doa h LEU 31 Cb 0.15 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.12 2doa h LEU 31 CO 0.01 1.35 -0.04 -0.07 -0.34 0.00 0.00 178.44 179.35 2doa h LEU 32 N 0.04 -0.09 -1.28 2.25 3.38 -0.61 0.10 115.31 119.10 2doa h LEU 32 Ca -0.31 -0.22 -0.04 0.00 0.09 0.00 0.00 57.88 57.41 2doa h LEU 32 Cb 2.01 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 42.77 2doa h LEU 32 CO 0.10 0.17 0.08 -0.07 0.09 0.00 0.00 178.44 178.81 2doa h LEU 33 N -0.35 0.53 -0.07 1.67 3.38 -1.36 -0.49 115.31 118.62 2doa h LEU 33 Ca -0.01 -0.08 -0.04 0.00 0.09 0.00 0.00 57.88 57.84 2doa h LEU 33 Cb 0.30 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.92 2doa h LEU 33 CO 0.02 0.54 -0.12 -0.09 0.09 0.00 0.00 178.44 178.88 2doa h ARG 34 N 0.56 0.20 -0.35 1.13 1.12 -1.53 -3.16 114.38 112.35 2doa h ARG 34 Ca 0.13 -0.13 -0.04 0.00 -1.11 0.00 0.00 59.98 58.83 2doa h ARG 34 Cb 0.24 0.01 -0.02 0.00 -0.01 0.00 0.00 29.97 30.19 2doa h ARG 34 CO -0.00 0.70 0.03 -0.07 -3.11 0.00 0.00 179.97 177.52 2doa h LEU 35 N -0.28 0.49 -1.90 3.80 3.38 -0.61 -2.16 115.31 118.02 2doa h LEU 35 Ca 0.00 -0.08 0.01 0.00 0.09 0.00 0.00 57.88 57.90 2doa h LEU 35 Cb 0.69 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 2doa h LEU 35 CO 0.03 0.54 0.08 -0.61 0.09 0.00 0.00 178.44 178.57 2doa h GLN 36 N 0.51 0.13 -0.14 1.13 4.15 -1.08 0.53 115.11 120.33 2doa h GLN 36 Ca 0.11 -0.01 -0.09 0.00 0.77 0.00 0.00 58.65 59.44 2doa h GLN 36 Cb 0.29 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 27.93 2doa h GLN 36 CO 0.01 0.08 -0.31 0.87 -1.93 0.00 0.00 178.83 177.55 2doa h LYS 37 N 0.13 0.28 0.07 1.69 1.57 -1.36 -3.26 116.57 115.70 2doa h LYS 37 Ca 0.05 -0.11 -0.33 0.00 -1.87 0.00 0.00 60.65 58.39 2doa h LYS 37 Cb 0.03 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.30 2doa h LYS 37 CO -0.01 0.57 -1.80 -3.47 -0.57 0.00 0.00 179.45 174.17 2doa n ASP 38 N -4.10 2.03 0.00 0.86 -0.08 -0.46 -4.96 116.55 109.83 2doa n ASP 38 Ca -0.01 0.27 0.00 0.00 -1.51 0.00 0.00 54.79 53.54 2doa n ASP 38 Cb 0.41 -0.88 0.00 0.00 2.34 0.00 0.00 41.12 42.99 2doa n ASP 38 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2doa n GLY 39 N 1.79 -0.54 3.12 0.27 0.00 0.17 -4.88 105.19 105.13 2doa n GLY 39 Ca -0.34 0.69 -0.25 0.00 0.00 0.00 0.00 46.02 46.13 2doa n GLY 39 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2doa s LEU 40 N 0.00 1.93 0.00 0.99 2.96 -1.20 -4.77 118.68 118.58 2doa s LEU 40 Ca 0.00 -0.32 0.03 0.00 -0.22 0.00 0.00 54.13 53.62 2doa s LEU 40 Cb 0.00 -0.89 -0.01 0.00 0.50 0.00 0.00 46.19 45.79 2doa s LEU 40 CO 0.00 0.15 0.10 0.35 -1.32 0.00 0.00 176.35 175.64 2doa n THR 41 N 3.05 0.00 0.01 3.68 -2.24 -1.26 -4.89 114.28 112.63 2doa n THR 41 Ca -0.17 -2.15 0.01 0.00 -2.27 0.00 0.00 64.05 59.47 2doa n THR 41 Cb 0.53 0.70 0.33 0.00 -2.10 0.00 0.00 70.33 69.79 2doa n THR 41 CO 0.00 0.00 0.00 -0.61 -0.57 0.00 0.00 175.07 173.89 2doa h GLN 42 N 0.00 0.50 -0.32 -0.78 5.75 -2.01 0.31 115.11 118.56 2doa h GLN 42 Ca -0.31 -0.09 -0.17 0.00 -0.15 0.00 0.00 58.65 57.94 2doa h GLN 42 Cb 1.11 -0.08 -0.00 0.00 1.07 0.00 0.00 27.48 29.58 2doa h GLN 42 CO 0.49 0.50 -0.44 0.00 -2.65 0.00 0.00 178.83 176.73 2doa h ALA 43 N 1.55 0.49 0.01 3.38 0.00 -2.00 -2.94 119.26 119.74 2doa h ALA 43 Ca 0.11 -0.48 -0.20 0.00 0.00 0.00 0.00 54.91 54.35 2doa h ALA 43 Cb 0.28 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 2doa h ALA 43 CO 0.01 0.63 -0.92 -0.44 0.00 0.00 0.00 179.25 178.53 2doa h ASP 44 N 0.66 0.06 0.63 0.00 3.32 -1.88 -2.85 116.42 116.36 2doa h ASP 44 Ca 0.04 -0.05 -0.03 0.00 0.02 0.00 0.00 57.03 57.00 2doa h ASP 44 Cb 1.05 -0.02 0.01 0.00 0.22 0.00 0.00 39.33 40.58 2doa h ASP 44 CO 0.10 0.94 -0.31 0.11 -1.72 0.00 0.00 179.24 178.36 2doa h LYS 45 N 0.02 -0.83 -0.93 3.56 1.57 -0.35 0.25 116.57 119.86 2doa h LYS 45 Ca -0.02 0.06 0.02 0.00 -1.87 0.00 0.00 60.65 58.84 2doa h LYS 45 Cb 1.60 0.19 -0.05 0.00 0.08 0.00 0.00 32.23 34.05 2doa h LYS 45 CO 0.12 -0.55 0.61 0.22 -0.57 0.00 0.00 179.45 179.29 2doa h ASP 46 N -0.86 1.04 0.35 0.86 3.58 -1.66 -1.36 116.42 118.37 2doa h ASP 46 Ca -0.09 -0.02 -0.06 0.00 0.42 0.00 0.00 57.03 57.29 2doa h ASP 46 Cb 0.66 -0.25 -0.01 0.00 1.72 0.00 0.00 39.33 41.45 2doa h ASP 46 CO 0.14 0.73 -0.27 0.00 -2.88 0.00 0.00 179.24 176.96 2doa h ALA 47 N 1.44 1.43 -0.77 -0.78 0.00 -1.42 -2.74 119.26 116.42 2doa h ALA 47 Ca 0.36 -0.24 0.08 0.00 0.00 0.00 0.00 54.91 55.10 2doa h ALA 47 Cb -0.06 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.63 2doa h ALA 47 CO -0.09 0.34 0.50 1.25 0.00 0.00 0.00 179.25 181.25 2doa h LEU 48 N 0.00 0.67 0.55 0.00 5.85 0.70 0.15 115.31 123.23 2doa h LEU 48 Ca -0.00 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.70 2doa h LEU 48 Cb 0.52 -0.13 0.01 0.00 0.37 0.00 0.00 40.66 41.42 2doa h LEU 48 CO 0.03 0.41 -0.26 -0.78 -0.34 0.00 0.00 178.44 177.50 2doa h ASP 49 N 0.75 -0.62 -0.12 1.25 1.82 -1.53 -0.51 116.42 117.45 2doa h ASP 49 Ca 0.35 -0.01 -0.08 0.00 -0.39 0.00 0.00 57.03 56.89 2doa h ASP 49 Cb 0.37 0.16 -0.02 0.00 0.68 0.00 0.00 39.33 40.52 2doa h ASP 49 CO -0.13 -0.39 -0.18 1.23 -1.61 0.00 0.00 179.24 178.17 2doa h GLY 50 N -0.82 0.56 0.85 -0.78 0.00 -1.58 -2.61 103.07 98.69 2doa h GLY 50 Ca -0.08 -0.42 -0.01 0.00 0.00 0.00 0.00 47.33 46.82 2doa h GLY 50 CO 0.12 0.38 0.05 -2.00 0.00 0.00 0.00 176.54 175.10 2doa h LEU 51 N 0.47 0.25 -0.49 3.11 5.85 -0.62 -2.70 115.31 121.18 2doa h LEU 51 Ca 0.08 -0.21 0.01 0.00 0.84 0.00 0.00 57.88 58.60 2doa h LEU 51 Cb 0.58 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.52 2doa h LEU 51 CO 0.04 0.40 0.32 -0.07 -0.34 0.00 0.00 178.44 178.78 2doa h LEU 52 N 0.09 0.54 -2.42 2.25 3.38 -1.01 0.15 115.31 118.30 2doa h LEU 52 Ca 0.05 -0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.03 2doa h LEU 52 Cb 0.24 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.86 2doa h LEU 52 CO -0.00 0.39 0.08 1.56 0.09 0.00 0.00 178.44 180.56 2doa h GLN 53 N 0.64 0.00 0.00 1.13 1.08 -1.37 0.82 115.11 117.42 2doa h GLN 53 Ca 0.18 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.38 2doa h GLN 53 Cb -0.05 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.38 2doa h GLN 53 CO -0.05 0.00 -0.50 1.96 -0.95 0.00 0.00 178.83 179.29 2doa h GLN 54 N 0.00 0.00 -1.10 1.46 1.08 -0.92 -3.40 115.11 112.23 2doa h GLN 54 Ca 0.03 0.00 -0.54 0.00 -1.45 0.00 0.00 58.65 56.69 2doa h GLN 54 Cb 0.19 0.00 -0.25 0.00 -0.05 0.00 0.00 27.48 27.36 2doa h GLN 54 CO -0.00 0.02 0.69 1.33 -0.95 0.00 0.00 178.83 179.92 2doa n VAL 55 N -4.62 3.24 -3.62 -0.54 0.24 0.43 -4.91 118.33 108.55 2doa n VAL 55 Ca -0.07 -2.28 -0.04 0.00 -2.04 0.00 0.00 64.34 59.91 2doa n VAL 55 Cb 0.26 -1.01 -0.03 0.00 -1.47 0.00 0.00 33.84 31.60 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 -3.12 -2.11 0.34 2.33 0.00 0.29 -4.59 121.76 114.89 2doa s ALA 56 Ca 0.53 1.74 0.06 0.00 0.00 0.00 0.00 51.96 54.29 2doa s ALA 56 Cb 0.43 -0.55 0.06 0.00 0.00 0.00 0.00 23.12 23.05 2doa s ALA 56 CO 0.02 -0.48 0.46 0.09 0.00 0.00 0.00 175.76 175.85 2doa n ASN 57 N 0.12 1.25 -3.56 0.00 3.02 -0.71 -3.97 115.26 111.42 2doa n ASN 57 Ca 0.01 -1.90 -0.17 0.00 -0.03 0.00 0.00 54.58 52.49 2doa n ASN 57 Cb 0.58 -0.24 -0.06 0.00 -0.61 0.00 0.00 39.78 39.44 2doa n ASN 57 CO 0.00 0.00 0.00 -0.32 -2.62 0.00 0.00 177.26 174.32 2doa s MET 58 N -3.53 0.99 0.57 3.52 1.75 -1.26 -3.76 119.30 117.58 2doa s MET 58 Ca 0.35 0.29 0.03 0.00 -1.25 0.00 0.00 55.69 55.11 2doa s MET 58 Cb -0.03 0.47 0.05 0.00 2.84 0.00 0.00 34.83 38.16 2doa s MET 58 CO 0.22 -0.29 0.79 0.45 -0.65 0.00 0.00 175.02 175.54 2doa s SER 59 N -1.04 5.14 -0.12 1.11 0.15 -1.25 -4.95 113.70 112.73 2doa s SER 59 Ca -0.10 -0.22 0.14 0.00 0.70 0.00 0.00 55.95 56.47 2doa s SER 59 Cb -0.01 -0.57 -0.24 0.00 -1.71 0.00 0.00 66.02 63.49 2doa s SER 59 CO 0.08 -1.24 0.35 0.00 1.20 0.00 0.00 173.24 173.63 2doa n ALA 60 N -2.36 1.47 -0.66 5.45 0.00 -1.26 -4.29 120.51 118.86 2doa n ALA 60 Ca 0.10 -1.02 0.00 0.00 0.00 0.00 0.00 53.44 52.52 2doa n ALA 60 Cb 0.60 -0.52 0.00 0.00 0.00 0.00 0.00 19.45 19.53 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 -2.94 0.00 0.00 0.00 4.76 -1.26 -4.85 118.16 113.87 2doa n LYS 61 Ca -0.26 0.05 0.00 0.00 -2.87 0.00 0.00 58.31 55.23 2doa n LYS 61 Cb 1.10 -0.32 0.00 0.00 -1.84 0.00 0.00 35.03 33.97 2doa n LYS 61 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 2doa n ASP 62 N -1.60 0.00 0.00 4.39 9.92 -1.26 -5.00 116.55 123.00 2doa n ASP 62 Ca 0.00 0.75 0.00 0.00 -0.53 0.00 0.00 54.79 55.01 2doa n ASP 62 Cb 0.00 -0.32 0.00 0.00 -0.64 0.00 0.00 41.12 40.16 2doa n ASP 62 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2doa n GLY 63 N -0.38 1.89 3.71 0.44 0.00 -1.26 -4.95 105.19 104.64 2doa n GLY 63 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.00 4.84 -0.03 2.61 2.01 -1.26 -4.27 115.64 117.54 2doa s THR 64 Ca 0.00 2.02 -0.14 0.00 0.31 0.00 0.00 61.69 63.88 2doa s THR 64 Cb 0.00 -4.30 -0.05 0.00 0.01 0.00 0.00 72.50 68.15 2doa s THR 64 CO 0.00 0.18 0.39 0.00 -0.69 0.00 0.00 174.62 174.50 2doa s THR 66 N -0.84 1.03 0.37 0.00 -4.23 -1.25 -1.28 115.64 109.45 2doa s THR 66 Ca 0.23 -1.61 -0.23 0.00 -1.18 0.00 0.00 61.69 58.89 2doa s THR 66 Cb -0.16 -1.35 -0.10 0.00 1.34 0.00 0.00 72.50 72.22 2doa s THR 66 CO 0.12 -0.49 0.94 -0.22 -0.54 0.00 0.00 174.62 174.42 2doa s LEU 67 N -2.36 4.14 0.95 4.79 2.96 -1.26 -1.74 118.68 126.16 2doa s LEU 67 Ca 0.05 1.75 -0.15 0.00 -0.22 0.00 0.00 54.13 55.55 2doa s LEU 67 Cb -0.04 -4.27 0.18 0.00 0.50 0.00 0.00 46.19 42.56 2doa s LEU 67 CO 0.01 -0.21 1.26 -1.10 -1.32 0.00 0.00 176.35 174.99 2doa s GLN 68 N -2.62 0.73 0.06 1.98 -0.21 -1.26 -4.94 119.66 113.40 2doa s GLN 68 Ca 0.56 -0.23 0.05 0.00 0.02 0.00 0.00 55.36 55.76 2doa s GLN 68 Cb -0.14 -1.84 -0.23 0.00 1.00 0.00 0.00 33.01 31.80 2doa s GLN 68 CO 0.18 -2.38 1.06 0.22 -2.12 0.00 0.00 175.29 172.25 2doa h ASP 69 N -1.62 0.11 0.79 5.90 3.58 -1.99 -3.25 116.42 119.94 2doa h ASP 69 Ca -0.45 -0.14 -0.25 0.00 0.42 0.00 0.00 57.03 56.62 2doa h ASP 69 Cb 1.27 -0.03 -0.03 0.00 1.72 0.00 0.00 39.33 42.25 2doa h ASP 69 CO 0.45 1.11 -1.22 0.00 -2.88 0.00 0.00 179.24 176.69 2doa h MET 71 N 0.02 0.00 -0.38 0.00 2.86 -1.96 -2.74 114.93 112.72 2doa h MET 71 Ca -0.10 0.00 0.11 0.00 -2.06 0.00 0.00 59.70 57.65 2doa h MET 71 Cb 1.87 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 33.52 2doa h MET 71 CO 0.14 0.19 0.28 1.88 1.06 0.00 0.00 176.91 180.45 2doa h TYR 72 N 0.00 0.01 -0.85 -0.22 0.05 -1.61 -0.95 116.97 113.41 2doa h TYR 72 Ca -0.00 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.76 2doa h TYR 72 Cb 0.53 -0.00 -0.04 0.00 1.01 0.00 0.00 36.73 38.23 2doa h TYR 72 CO 0.00 0.00 0.45 0.87 -1.05 0.00 0.00 178.16 178.43 2doa h LYS 73 N 0.01 1.20 0.00 4.88 1.57 -1.69 -1.86 116.57 120.67 2doa h LYS 73 Ca 0.18 -0.15 -0.03 0.00 -1.87 0.00 0.00 60.65 58.78 2doa h LYS 73 Cb 0.72 -0.23 -0.00 0.00 0.08 0.00 0.00 32.23 32.80 2doa h LYS 73 CO -0.00 0.89 -0.13 -0.44 -0.57 0.00 0.00 179.45 179.20 2doa h ASP 74 N 1.19 0.00 -2.19 0.86 3.32 -1.35 -3.43 116.42 114.83 2doa h ASP 74 Ca 0.30 0.00 -0.56 0.00 0.02 0.00 0.00 57.03 56.78 2doa h ASP 74 Cb 0.06 0.00 0.02 0.00 0.22 0.00 0.00 39.33 39.62 2doa h ASP 74 CO -0.04 0.13 1.25 0.52 -1.72 0.00 0.00 179.24 179.37 2doa n VAL 75 N -3.66 0.66 -1.96 -1.35 0.31 -0.70 -4.96 118.33 106.67 2doa n VAL 75 Ca -0.02 -0.18 -0.31 0.00 -0.01 0.00 0.00 64.34 63.82 2doa n VAL 75 Cb 0.25 -2.23 0.00 0.00 -0.91 0.00 0.00 33.84 30.95 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 4.69 3.60 -0.11 5.55 -0.21 -1.26 -5.00 119.66 126.92 2doa s GLN 76 Ca 0.92 0.83 0.18 0.00 0.02 0.00 0.00 55.36 57.31 2doa s GLN 76 Cb -0.50 -2.08 -0.25 0.00 1.00 0.00 0.00 33.01 31.19 2doa s GLN 76 CO 0.44 -0.56 0.32 1.63 -2.12 0.00 0.00 175.29 175.00 2doa n LYS 77 N -2.51 0.67 -1.28 2.91 5.02 -1.26 -4.34 118.16 117.36 2doa n LYS 77 Ca 0.06 0.03 -0.29 0.00 -2.02 0.00 0.00 58.31 56.10 2doa n LYS 77 Cb 0.54 -1.60 0.04 0.00 -0.02 0.00 0.00 35.03 34.00 2doa n LYS 77 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2doa n ASP 78 N -2.72 7.13 -4.71 4.39 8.00 -1.26 -4.96 116.55 122.42 2doa n ASP 78 Ca -0.23 -3.49 -0.42 0.00 0.71 0.00 0.00 54.79 51.37 2doa n ASP 78 Cb 1.00 -1.05 -0.03 0.00 -0.02 0.00 0.00 41.12 41.02 2doa n ASP 78 CO 0.00 0.00 0.00 0.86 -0.39 0.00 0.00 177.20 177.67 2doa s TRP 79 N -2.94 3.61 0.17 1.24 -0.11 -1.26 -4.94 118.94 114.72 2doa s TRP 79 Ca 0.51 1.63 0.30 0.00 1.22 0.00 0.00 56.10 59.77 2doa s TRP 79 Cb 0.40 -3.17 1.28 0.00 -1.50 0.00 0.00 33.47 30.48 2doa s TRP 79 CO -0.09 -0.20 1.96 -1.00 -4.62 0.00 0.00 176.95 173.00 2doa h PRO 80 N 6.84 0.00 -0.28 5.86 0.13 -1.93 -3.20 132.00 139.42 2doa h PRO 80 Ca -0.40 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 64.77 2doa h PRO 80 Cb 1.21 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.30 2doa h PRO 80 CO 0.77 0.09 0.03 0.78 -0.23 0.00 0.00 178.00 179.43 2doa h GLY 81 N 1.83 0.30 -0.90 1.56 0.00 -1.95 -3.43 103.07 100.47 2doa h GLY 81 Ca -0.00 0.01 -0.42 0.00 0.00 0.00 0.00 47.33 46.92 2doa h GLY 81 CO 0.01 -0.04 0.13 -0.19 0.00 0.00 0.00 176.54 176.46 2doa s TYR 82 N -6.18 0.69 0.19 5.60 2.02 -1.21 -5.03 117.35 113.42 2doa s TYR 82 Ca -0.13 0.57 0.00 0.00 -0.37 0.00 0.00 57.07 57.14 2doa s TYR 82 Cb 0.11 -3.40 0.00 0.00 -0.40 0.00 0.00 41.96 38.27 2doa s TYR 82 CO 0.70 -3.79 0.00 0.43 -1.57 0.00 0.00 175.55 171.32 2doa n SER 83 N -4.72 -0.52 0.14 2.29 7.64 -1.26 -4.98 113.62 112.21 2doa n SER 83 Ca 0.12 0.33 0.00 0.00 1.01 0.00 0.00 58.87 60.33 2doa n SER 83 Cb 0.59 0.64 0.00 0.00 -1.01 0.00 0.00 64.21 64.43 2doa n SER 83 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2doa n GLU 84 N -3.06 0.00 0.27 1.43 4.71 -1.26 -4.76 120.64 117.97 2doa n GLU 84 Ca 0.00 0.00 0.11 0.00 -0.01 0.00 0.00 57.16 57.26 2doa n GLU 84 Cb 0.00 0.00 0.74 0.00 -1.01 0.00 0.00 31.44 31.17 2doa n GLU 84 CO 0.00 0.00 0.00 0.78 0.09 0.00 0.00 177.13 178.00 2doa h GLY 85 N 0.00 0.00 1.22 0.62 0.00 -2.00 -2.05 103.07 100.87 2doa h GLY 85 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 47.04 2doa h GLY 85 CO 0.00 0.00 -1.54 -0.55 0.00 0.00 0.00 176.54 174.45 2doa h ASP 86 N 0.00 0.22 0.43 0.19 3.32 -1.96 -3.15 116.42 115.46 2doa h ASP 86 Ca -0.00 -0.34 -0.02 0.00 0.02 0.00 0.00 57.03 56.69 2doa h ASP 86 Cb 0.03 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.52 2doa h ASP 86 CO 0.00 1.29 -0.21 1.56 -1.72 0.00 0.00 179.24 180.16 2doa h GLN 87 N 0.04 -0.56 -0.81 3.56 1.08 -1.69 0.23 115.11 116.96 2doa h GLN 87 Ca -0.24 0.04 -0.00 0.00 -1.45 0.00 0.00 58.65 57.00 2doa h GLN 87 Cb 1.98 0.13 -0.04 0.00 -0.05 0.00 0.00 27.48 29.50 2doa h GLN 87 CO 0.13 -0.32 0.49 1.96 -0.95 0.00 0.00 178.83 180.14 2doa h GLN 88 N -0.70 1.09 -0.33 1.46 1.08 -1.58 -2.27 115.11 113.87 2doa h GLN 88 Ca -0.06 -0.10 -0.09 0.00 -1.45 0.00 0.00 58.65 56.95 2doa h GLN 88 Cb 0.51 -0.23 -0.02 0.00 -0.05 0.00 0.00 27.48 27.69 2doa h GLN 88 CO 0.10 0.77 -0.18 1.25 -0.95 0.00 0.00 178.83 179.82 2doa h LEU 89 N 1.10 0.60 -1.49 1.46 5.85 -1.49 -2.63 115.31 118.72 2doa h LEU 89 Ca 0.29 -0.18 -0.05 0.00 0.84 0.00 0.00 57.88 58.77 2doa h LEU 89 Cb -0.05 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 40.81 2doa h LEU 89 CO -0.06 0.78 -0.26 0.25 -0.34 0.00 0.00 178.44 178.82 2doa h LEU 90 N 0.54 0.00 0.28 2.25 5.85 0.02 -2.55 115.31 121.70 2doa h LEU 90 Ca 0.09 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.79 2doa h LEU 90 Cb 0.61 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.64 2doa h LEU 90 CO 0.04 0.26 -0.14 0.11 -0.34 0.00 0.00 178.44 178.37 2doa h LYS 91 N 0.00 -0.37 -0.57 1.25 1.57 -1.06 -2.19 116.57 115.20 2doa h LYS 91 Ca -0.00 0.02 0.02 0.00 -1.87 0.00 0.00 60.65 58.82 2doa h LYS 91 Cb 0.46 0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.82 2doa h LYS 91 CO 0.03 -0.07 0.38 0.07 -0.57 0.00 0.00 179.45 179.29 2doa h ARG 92 N -0.66 0.70 -0.19 3.15 0.11 -1.50 -1.12 114.38 114.88 2doa h ARG 92 Ca -0.04 -0.04 -0.08 0.00 0.10 0.00 0.00 59.98 59.92 2doa h ARG 92 Cb 0.46 -0.16 -0.01 0.00 1.11 0.00 0.00 29.97 31.37 2doa h ARG 92 CO 0.06 0.46 -0.23 0.28 0.10 0.00 0.00 179.97 180.65 2doa h VAL 93 N 0.72 1.24 0.00 0.08 2.07 -1.37 0.26 116.25 119.26 2doa h VAL 93 Ca 0.22 -1.12 -0.17 0.00 0.82 0.00 0.00 66.70 66.45 2doa h VAL 93 Cb -0.00 1.35 -0.02 0.00 -1.52 0.00 0.00 31.29 31.09 2doa h VAL 93 CO -0.05 0.35 -0.79 -0.07 0.02 0.00 0.00 177.57 177.03 2doa h LEU 94 N 0.30 0.00 0.09 2.57 3.38 -0.62 -2.55 115.31 118.49 2doa h LEU 94 Ca 0.05 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.73 2doa h LEU 94 Cb 0.57 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.31 2doa h LEU 94 CO 0.04 0.79 -1.51 0.58 0.09 0.00 0.00 178.44 178.43 2doa h VAL 95 N 0.00 1.15 -0.05 1.22 2.07 -0.92 -2.39 116.25 117.33 2doa h VAL 95 Ca -0.01 -2.84 -0.20 0.00 0.82 0.00 0.00 66.70 64.47 2doa h VAL 95 Cb 1.58 2.71 -0.00 0.00 -1.52 0.00 0.00 31.29 34.06 2doa h VAL 95 CO 0.10 0.79 -0.81 0.03 0.02 0.00 0.00 177.57 177.71 2doa h ARG 96 N 0.05 0.42 0.00 1.57 -0.00 -0.57 -3.38 114.38 112.47 2doa h ARG 96 Ca -0.23 -0.38 0.00 0.00 -0.50 0.00 0.00 59.98 58.87 2doa h ARG 96 Cb 1.99 0.09 0.00 0.00 0.00 0.00 0.00 29.97 32.05 2doa h ARG 96 CO 0.14 1.03 -0.04 0.87 0.00 0.00 0.00 179.97 181.97 2doa h LYS 97 N 0.27 0.00 -6.33 0.04 1.79 -1.58 -3.43 116.57 107.33 2doa h LYS 97 Ca -0.05 0.00 -0.54 0.00 -2.18 0.00 0.00 60.65 57.89 2doa h LYS 97 Cb 1.41 0.00 -0.07 0.00 -1.58 0.00 0.00 32.23 31.99 2doa h LYS 97 CO 0.14 0.00 1.11 -0.51 -1.08 0.00 0.00 179.45 179.11 2doa s LEU 98 N -6.56 3.26 0.00 2.94 1.43 -0.90 -4.55 118.68 114.31 2doa s LEU 98 Ca -0.01 -0.10 0.00 0.00 -1.03 0.00 0.00 54.13 52.99 2doa s LEU 98 Cb 0.00 -2.73 0.00 0.00 0.03 0.00 0.00 46.19 43.49 2doa s LEU 98 CO 0.02 -1.87 0.00 -1.20 0.23 0.00 0.00 176.35 173.53 2doa n SER 99 N 9.90 0.00 -3.68 2.29 7.64 -1.26 -4.56 113.62 123.95 2doa n SER 99 Ca 0.09 0.00 -0.30 0.00 1.01 0.00 0.00 58.87 59.67 2doa n SER 99 Cb 0.50 0.05 -0.14 0.00 -1.01 0.00 0.00 64.21 63.61 2doa n SER 99 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2doa s GLY 100 N -4.10 1.18 -0.62 0.23 0.00 -1.26 -5.08 107.32 97.66 2doa s GLY 100 Ca 0.00 -1.92 -0.30 0.00 0.00 0.00 0.00 44.72 42.50 2doa s GLY 100 CO 0.00 1.68 2.45 -1.05 0.00 0.00 0.00 173.10 176.18 2doa n PRO 101 N 4.40 0.69 -2.64 2.90 -0.02 -1.26 -3.43 135.00 135.64 2doa n PRO 101 Ca 0.02 0.08 -0.01 0.00 -2.02 0.00 0.00 63.50 61.57 2doa n PRO 101 Cb 0.39 -2.50 -0.01 0.00 -0.02 0.00 0.00 33.50 31.36 2doa n PRO 101 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 2doa n SER 102 N 12.35 -6.56 0.08 2.55 7.64 -1.26 -4.88 113.62 123.55 2doa n SER 102 Ca 0.48 1.36 0.03 0.00 1.01 0.00 0.00 58.87 61.75 2doa n SER 102 Cb 0.28 -5.13 0.41 0.00 -1.01 0.00 0.00 64.21 58.76 2doa n SER 102 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 2doa h SER 103 N 3.07 0.32 0.00 6.43 0.87 -2.02 -3.55 113.55 118.67 2doa h SER 103 Ca -0.09 -0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.43 2doa h SER 103 Cb 0.20 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 62.08 2doa h SER 103 CO 0.08 0.36 0.00 0.61 -0.53 0.00 0.00 176.83 177.35