#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2tdx s LYS 2 N 0.00 1.80 0.19 2.12 3.01 -1.26 -4.90 119.74 120.70 2tdx s LYS 2 Ca 0.00 1.56 -0.04 0.00 -1.01 0.00 0.00 55.97 56.48 2tdx s LYS 2 Cb 0.00 -1.81 0.13 0.00 -1.01 0.00 0.00 37.83 35.13 2tdx s LYS 2 CO 0.00 -2.05 1.54 -0.44 0.51 0.00 0.00 175.35 174.91 2tdx h ASP 3 N -0.99 0.71 0.59 2.83 5.19 -2.05 -1.17 116.42 121.53 2tdx h ASP 3 Ca -0.45 -0.33 0.00 0.00 -0.62 0.00 0.00 57.03 55.63 2tdx h ASP 3 Cb 1.27 -0.20 0.00 0.00 0.18 0.00 0.00 39.33 40.58 2tdx h ASP 3 CO 0.47 1.04 0.00 0.18 -3.12 0.00 0.00 179.24 177.82 2tdx n LEU 4 N -4.02 0.00 0.00 1.55 4.32 -1.26 -4.89 117.00 112.70 2tdx n LEU 4 Ca -0.02 0.36 0.00 0.00 -0.02 0.00 0.00 56.01 56.33 2tdx n LEU 4 Cb 0.54 -0.36 0.00 0.00 -1.62 0.00 0.00 43.42 41.98 2tdx n LEU 4 CO 0.46 -0.07 0.00 0.52 -1.22 0.00 0.00 177.39 177.09 2tdx n VAL 5 N -1.36 0.00 -3.40 4.08 0.31 -0.45 -4.42 118.33 113.09 2tdx n VAL 5 Ca 0.10 0.00 -0.22 0.00 -0.01 0.00 0.00 64.34 64.21 2tdx n VAL 5 Cb 0.23 0.00 -0.09 0.00 -0.91 0.00 0.00 33.84 33.06 2tdx n VAL 5 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2tdx s ASP 6 N 0.00 1.88 0.03 4.52 -1.08 -1.26 -4.52 116.67 116.23 2tdx s ASP 6 Ca 0.00 -1.79 -0.06 0.00 -0.52 0.00 0.00 52.55 50.18 2tdx s ASP 6 Cb 0.00 0.19 -0.02 0.00 -1.46 0.00 0.00 42.92 41.63 2tdx s ASP 6 CO 0.00 -0.28 1.11 0.74 0.52 0.00 0.00 175.17 177.25 2tdx h THR 7 N 5.08 0.00 -1.05 1.71 2.02 -1.98 -1.61 112.91 117.09 2tdx h THR 7 Ca 0.05 0.00 0.36 0.00 0.77 0.00 0.00 66.41 67.58 2tdx h THR 7 Cb 1.02 0.00 -0.15 0.00 -1.74 0.00 0.00 68.15 67.28 2tdx h THR 7 CO 0.23 0.00 0.61 0.74 0.37 0.00 0.00 175.52 177.47 2tdx h THR 8 N -0.08 0.22 -0.01 3.16 2.02 -1.97 0.33 112.91 116.60 2tdx h THR 8 Ca 0.01 -0.08 -0.16 0.00 0.77 0.00 0.00 66.41 66.96 2tdx h THR 8 Cb 0.12 -0.03 -0.02 0.00 -1.74 0.00 0.00 68.15 66.48 2tdx h THR 8 CO -0.12 0.04 -0.74 -0.33 0.37 0.00 0.00 175.52 174.75 2tdx h GLU 9 N 0.23 0.05 -0.00 6.66 5.08 -1.78 -3.01 114.58 121.81 2tdx h GLU 9 Ca 0.76 -0.05 -0.15 0.00 -1.00 0.00 0.00 59.36 58.93 2tdx h GLU 9 Cb 1.91 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 31.16 2tdx h GLU 9 CO -0.60 0.77 -0.69 0.52 -1.00 0.00 0.00 179.01 178.00 2tdx h MET 10 N 0.03 0.03 0.02 2.33 2.86 0.56 -1.44 114.93 119.32 2tdx h MET 10 Ca -0.01 -0.02 -0.00 0.00 -2.06 0.00 0.00 59.70 57.60 2tdx h MET 10 Cb 1.31 0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.97 2tdx h MET 10 CO 0.10 0.71 -0.01 1.88 1.06 0.00 0.00 176.91 180.65 2tdx h TYR 11 N 0.02 -0.02 -0.90 -0.22 -1.99 -1.34 -2.14 116.97 110.38 2tdx h TYR 11 Ca -0.01 -0.00 0.06 0.00 2.00 0.00 0.00 58.73 60.78 2tdx h TYR 11 Cb 1.23 0.01 -0.06 0.00 2.00 0.00 0.00 36.73 39.91 2tdx h TYR 11 CO 0.00 0.45 0.59 -0.07 -0.00 0.00 0.00 178.16 179.13 2tdx h LEU 12 N -0.50 0.92 -0.51 3.88 4.07 -1.54 -0.05 115.31 121.57 2tdx h LEU 12 Ca -0.00 0.00 -0.09 0.00 0.08 0.00 0.00 57.88 57.87 2tdx h LEU 12 Cb 0.48 -0.20 -0.02 0.00 1.08 0.00 0.00 40.66 42.01 2tdx h LEU 12 CO 0.00 0.60 -0.04 -0.09 -1.08 0.00 0.00 178.44 177.84 2tdx h ARG 13 N 1.05 0.92 -0.03 1.13 1.12 -1.22 -2.83 114.38 114.52 2tdx h ARG 13 Ca 0.38 -0.31 -0.00 0.00 -1.11 0.00 0.00 59.98 58.93 2tdx h ARG 13 Cb 0.15 -0.07 -0.00 0.00 -0.01 0.00 0.00 29.97 30.04 2tdx h ARG 13 CO -0.13 0.97 0.02 1.15 -3.11 0.00 0.00 179.97 178.86 2tdx h THR 14 N 0.79 1.09 -0.75 0.20 2.02 -0.60 -1.90 112.91 113.75 2tdx h THR 14 Ca 0.14 -0.25 0.17 0.00 0.77 0.00 0.00 66.41 67.24 2tdx h THR 14 Cb 0.57 1.19 -0.05 0.00 -1.74 0.00 0.00 68.15 68.13 2tdx h THR 14 CO 0.03 0.07 0.51 0.40 0.37 0.00 0.00 175.52 176.90 2tdx h ILE 15 N -0.05 0.75 -0.09 3.11 2.04 -1.03 -1.11 117.51 121.12 2tdx h ILE 15 Ca 0.01 -0.11 -0.03 0.00 1.00 0.00 0.00 64.86 65.74 2tdx h ILE 15 Cb 0.10 0.41 -0.00 0.00 -0.74 0.00 0.00 36.82 36.58 2tdx h ILE 15 CO -0.00 0.06 -0.05 0.22 0.00 0.00 0.00 178.15 178.37 2tdx h TYR 16 N 0.31 0.23 -0.59 1.37 5.03 -1.12 -2.15 116.97 120.06 2tdx h TYR 16 Ca 0.37 -0.06 -0.09 0.00 2.58 0.00 0.00 58.73 61.53 2tdx h TYR 16 Cb 0.99 -0.05 -0.02 0.00 1.55 0.00 0.00 36.73 39.20 2tdx h TYR 16 CO -0.00 0.57 0.03 0.93 -1.32 0.00 0.00 178.16 178.37 2tdx h GLU 17 N -0.17 1.02 -0.96 1.82 5.08 -0.68 0.78 114.58 121.47 2tdx h GLU 17 Ca 0.02 -0.31 0.12 0.00 -1.00 0.00 0.00 59.36 58.19 2tdx h GLU 17 Cb 0.51 -0.10 -0.08 0.00 0.50 0.00 0.00 28.75 29.59 2tdx h GLU 17 CO 0.02 1.00 0.61 -0.07 -1.00 0.00 0.00 179.01 179.56 2tdx h LEU 18 N 0.92 0.85 -0.02 1.33 3.38 -1.23 0.37 115.31 120.91 2tdx h LEU 18 Ca 0.17 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.17 2tdx h LEU 18 Cb 0.52 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.13 2tdx h LEU 18 CO 0.03 0.46 -0.03 -0.33 0.09 0.00 0.00 178.44 178.66 2tdx h GLU 19 N 0.92 0.05 -0.94 1.13 5.08 -0.94 -0.58 114.58 119.29 2tdx h GLU 19 Ca 0.47 -0.03 0.21 0.00 -1.00 0.00 0.00 59.36 59.00 2tdx h GLU 19 Cb 0.50 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.68 2tdx h GLU 19 CO -0.23 0.60 0.61 0.93 -1.00 0.00 0.00 179.01 179.93 2tdx h GLU 20 N -0.50 0.46 0.00 2.33 5.08 0.50 -0.51 114.58 121.94 2tdx h GLU 20 Ca 0.00 -0.03 -0.08 0.00 -1.00 0.00 0.00 59.36 58.26 2tdx h GLU 20 Cb 0.60 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 2tdx h GLU 20 CO 0.01 0.30 -0.41 0.93 -1.00 0.00 0.00 179.01 178.84 2tdx h GLU 21 N 0.47 0.00 0.00 2.33 5.08 -0.23 -3.48 114.58 118.76 2tdx h GLU 21 Ca 0.51 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.87 2tdx h GLU 21 Cb 1.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.42 2tdx h GLU 21 CO -0.23 0.35 0.00 0.41 -1.00 0.00 0.00 179.01 178.55 2tdx n GLY 22 N 1.20 2.19 3.70 -3.84 0.00 -0.20 -5.09 105.19 103.15 2tdx n GLY 22 Ca 0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.73 2tdx n GLY 22 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2tdx s VAL 23 N -2.31 2.46 -0.22 1.61 1.01 -0.27 -4.96 120.40 117.72 2tdx s VAL 23 Ca 0.00 0.15 -0.16 0.00 0.00 0.00 0.00 61.98 61.97 2tdx s VAL 23 Cb 0.00 -2.32 -0.04 0.00 0.00 0.00 0.00 36.38 34.02 2tdx s VAL 23 CO 0.00 -0.19 0.41 -0.89 0.00 0.00 0.00 175.10 174.42 2tdx s THR 24 N -2.73 5.18 -0.44 3.92 2.01 -1.26 -4.22 115.64 118.10 2tdx s THR 24 Ca 0.65 0.70 -0.27 0.00 0.31 0.00 0.00 61.69 63.09 2tdx s THR 24 Cb -0.21 -3.74 -0.05 0.00 0.01 0.00 0.00 72.50 68.51 2tdx s THR 24 CO 0.58 0.21 2.19 -2.16 -0.69 0.00 0.00 174.62 174.75 2tdx s PRO 25 N 1.57 2.56 0.02 4.92 0.04 -1.26 -4.91 135.00 137.94 2tdx s PRO 25 Ca 0.19 1.39 0.08 0.00 0.04 0.00 0.00 61.00 62.70 2tdx s PRO 25 Cb -0.15 -4.46 -0.02 0.00 0.04 0.00 0.00 34.50 29.91 2tdx s PRO 25 CO 0.08 -2.77 -0.25 -0.51 0.04 0.00 0.00 177.00 173.60 2tdx s LEU 26 N 10.18 2.11 0.20 -3.56 1.43 -1.26 -0.83 118.68 126.95 2tdx s LEU 26 Ca 0.90 -0.52 -0.20 0.00 -1.03 0.00 0.00 54.13 53.29 2tdx s LEU 26 Cb -0.20 -1.26 0.16 0.00 0.03 0.00 0.00 46.19 44.92 2tdx s LEU 26 CO 0.28 0.27 1.58 0.03 0.23 0.00 0.00 176.35 178.74 2tdx h ARG 27 N 5.13 -0.11 -1.05 1.70 -0.00 -1.91 0.69 114.38 118.83 2tdx h ARG 27 Ca -0.44 0.01 0.29 0.00 -0.50 0.00 0.00 59.98 59.33 2tdx h ARG 27 Cb 1.14 0.03 -0.07 0.00 0.00 0.00 0.00 29.97 31.07 2tdx h ARG 27 CO 0.45 -0.08 0.72 0.00 0.00 0.00 0.00 179.97 181.07 2tdx h ALA 28 N 1.10 2.64 -0.22 0.04 0.00 -1.96 0.60 119.26 121.47 2tdx h ALA 28 Ca 0.26 0.01 -0.19 0.00 0.00 0.00 0.00 54.91 54.99 2tdx h ALA 28 Cb 0.56 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.41 2tdx h ALA 28 CO -0.76 -0.99 -0.61 0.00 0.00 0.00 0.00 179.25 176.89 2tdx h ARG 29 N 0.19 0.75 -0.02 0.00 -0.00 0.02 -1.69 114.38 113.63 2tdx h ARG 29 Ca 0.54 -0.51 -0.15 0.00 -0.50 0.00 0.00 59.98 59.36 2tdx h ARG 29 Cb 1.77 0.07 -0.02 0.00 0.00 0.00 0.00 29.97 31.80 2tdx h ARG 29 CO -0.14 1.13 -0.69 0.82 0.00 0.00 0.00 179.97 181.09 2tdx h ILE 30 N 0.56 1.46 0.19 2.04 2.04 0.70 -2.28 117.51 122.22 2tdx h ILE 30 Ca -0.00 -2.28 -0.01 0.00 1.00 0.00 0.00 64.86 63.56 2tdx h ILE 30 Cb 1.20 2.22 0.00 0.00 -0.74 0.00 0.00 36.82 39.51 2tdx h ILE 30 CO 0.13 0.66 -0.09 0.00 0.00 0.00 0.00 178.15 178.85 2tdx h ALA 31 N 1.23 -0.25 0.55 1.87 0.00 -0.31 -0.77 119.26 121.58 2tdx h ALA 31 Ca -0.01 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 2tdx h ALA 31 Cb 1.23 0.10 0.01 0.00 0.00 0.00 0.00 17.79 19.12 2tdx h ALA 31 CO 0.10 -0.51 -0.26 1.49 0.00 0.00 0.00 179.25 180.06 2tdx h GLU 32 N -0.51 -0.71 -0.59 0.00 4.81 -1.33 0.52 114.58 116.77 2tdx h GLU 32 Ca -0.03 0.05 0.06 0.00 -0.13 0.00 0.00 59.36 59.31 2tdx h GLU 32 Cb 0.39 0.16 -0.08 0.00 0.63 0.00 0.00 28.75 29.85 2tdx h GLU 32 CO 0.04 -0.47 -0.45 -0.09 -0.73 0.00 0.00 179.01 177.31 2tdx h ARG 33 N -1.03 -0.13 0.00 1.92 9.65 -1.52 0.97 114.38 124.25 2tdx h ARG 33 Ca -0.07 0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.81 2tdx h ARG 33 Cb 0.56 0.03 0.00 0.00 -1.39 0.00 0.00 29.97 29.17 2tdx h ARG 33 CO 0.12 -0.08 0.00 1.28 2.80 0.00 0.00 179.97 184.09 2tdx n LEU 34 N -4.78 0.00 -1.60 3.80 4.77 -0.29 -4.83 117.00 114.07 2tdx n LEU 34 Ca -0.00 0.29 -0.20 0.00 -0.03 0.00 0.00 56.01 56.07 2tdx n LEU 34 Cb 0.23 -0.29 -0.08 0.00 -2.33 0.00 0.00 43.42 40.95 2tdx n LEU 34 CO -0.07 -0.09 -0.20 -0.62 -1.33 0.00 0.00 177.39 175.08 2tdx n GLU 35 N -1.29 -1.40 -2.74 3.23 1.02 0.34 -4.94 120.64 114.85 2tdx n GLU 35 Ca 0.10 1.17 -0.33 0.00 -0.02 0.00 0.00 57.16 58.08 2tdx n GLU 35 Cb 0.17 -5.54 -0.06 0.00 -0.02 0.00 0.00 31.44 25.98 2tdx n GLU 35 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 2tdx s GLN 36 N -3.82 4.13 0.00 3.49 -1.52 0.98 -4.94 119.66 117.97 2tdx s GLN 36 Ca 0.00 1.15 0.00 0.00 -1.95 0.00 0.00 55.36 54.56 2tdx s GLN 36 Cb 0.00 -2.16 0.00 0.00 -0.22 0.00 0.00 33.01 30.63 2tdx s GLN 36 CO 0.00 -0.12 0.00 -1.13 -0.25 0.00 0.00 175.29 173.79 2tdx n SER 37 N -0.78 -0.38 -0.06 5.90 3.41 -1.26 -4.47 113.62 115.98 2tdx n SER 37 Ca 0.07 -0.16 -0.04 0.00 -0.26 0.00 0.00 58.87 58.48 2tdx n SER 37 Cb 0.54 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.47 2tdx n SER 37 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2tdx n GLY 38 N 2.26 -0.90 0.00 5.00 0.00 -1.26 -3.25 105.19 107.04 2tdx n GLY 38 Ca 0.00 -0.16 0.06 0.00 0.00 0.00 0.00 46.02 45.92 2tdx n GLY 38 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2tdx n PRO 39 N -4.38 0.40 -0.08 1.61 -0.02 -1.26 -0.47 135.00 130.80 2tdx n PRO 39 Ca -0.07 0.00 -0.12 0.00 -2.02 0.00 0.00 63.50 61.29 2tdx n PRO 39 Cb 0.25 -1.50 -0.07 0.00 -0.02 0.00 0.00 33.50 32.16 2tdx n PRO 39 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 2tdx h THR 40 N 0.00 0.67 -0.41 3.45 2.02 -1.95 -3.20 112.91 113.50 2tdx h THR 40 Ca 0.00 -1.69 -0.04 0.00 0.77 0.00 0.00 66.41 65.44 2tdx h THR 40 Cb 0.00 1.45 -0.02 0.00 -1.74 0.00 0.00 68.15 67.84 2tdx h THR 40 CO 0.00 0.23 0.06 0.58 0.37 0.00 0.00 175.52 176.76 2tdx h VAL 41 N -1.00 1.20 0.33 3.16 2.07 -1.21 -2.42 116.25 118.38 2tdx h VAL 41 Ca -0.14 -0.74 -0.02 0.00 0.82 0.00 0.00 66.70 66.62 2tdx h VAL 41 Cb 0.84 0.82 0.00 0.00 -1.52 0.00 0.00 31.29 31.43 2tdx h VAL 41 CO -0.08 0.26 -0.16 0.28 0.02 0.00 0.00 177.57 177.89 2tdx h SER 42 N 0.60 -0.37 1.01 0.57 0.02 -0.93 0.43 113.55 114.89 2tdx h SER 42 Ca 0.13 -0.12 -0.04 0.00 -0.84 0.00 0.00 61.79 60.92 2tdx h SER 42 Cb 0.28 0.10 -0.01 0.00 0.14 0.00 0.00 62.40 62.91 2tdx h SER 42 CO 0.00 -0.08 -0.18 1.56 -1.14 0.00 0.00 176.83 176.99 2tdx h GLN 43 N -0.68 0.00 0.04 3.45 4.20 -1.56 0.49 115.11 121.05 2tdx h GLN 43 Ca -0.05 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.57 2tdx h GLN 43 Cb 0.47 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.26 2tdx h GLN 43 CO 0.07 0.18 -0.39 1.15 -0.67 0.00 0.00 178.83 179.17 2tdx h THR 44 N 0.00 1.59 -0.27 -0.54 2.02 -1.35 -0.09 112.91 114.27 2tdx h THR 44 Ca -0.00 -2.24 -0.06 0.00 0.77 0.00 0.00 66.41 64.88 2tdx h THR 44 Cb 0.73 3.05 -0.02 0.00 -1.74 0.00 0.00 68.15 70.18 2tdx h THR 44 CO 0.02 0.62 -0.07 0.58 0.37 0.00 0.00 175.52 177.04 2tdx h VAL 45 N -0.56 1.20 0.00 3.16 2.07 -0.02 0.18 116.25 122.29 2tdx h VAL 45 Ca -0.06 -0.85 0.00 0.00 0.82 0.00 0.00 66.70 66.61 2tdx h VAL 45 Cb 1.23 1.08 0.00 0.00 -1.52 0.00 0.00 31.29 32.07 2tdx h VAL 45 CO 0.07 0.28 0.00 0.00 0.02 0.00 0.00 177.57 177.95 2tdx n ALA 46 N -2.48 1.81 0.02 1.67 0.00 0.17 -2.23 120.51 119.46 2tdx n ALA 46 Ca 0.01 0.02 0.05 0.00 0.00 0.00 0.00 53.44 53.51 2tdx n ALA 46 Cb 0.27 -1.36 -0.10 0.00 0.00 0.00 0.00 19.45 18.26 2tdx n ALA 46 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2tdx n ARG 47 N -1.98 0.64 0.09 0.00 0.63 0.51 -4.20 116.66 112.36 2tdx n ARG 47 Ca 0.03 0.03 -0.06 0.00 -0.92 0.00 0.00 57.85 56.93 2tdx n ARG 47 Cb 0.25 -1.68 0.03 0.00 0.45 0.00 0.00 32.46 31.52 2tdx n ARG 47 CO 0.00 0.00 0.00 0.52 -2.51 0.00 0.00 177.63 175.64 2tdx h MET 48 N 0.00 0.12 0.00 -0.14 2.86 -0.75 -3.02 114.93 114.00 2tdx h MET 48 Ca -0.13 -0.12 0.00 0.00 -2.06 0.00 0.00 59.70 57.39 2tdx h MET 48 Cb 1.35 0.03 0.00 0.00 0.06 0.00 0.00 31.60 33.04 2tdx h MET 48 CO 0.02 0.85 0.00 0.39 1.06 0.00 0.00 176.91 179.23 2tdx n GLU 49 N -3.67 0.18 0.08 1.72 1.02 -1.19 -1.24 120.64 117.55 2tdx n GLU 49 Ca -0.02 0.35 -0.17 0.00 -0.02 0.00 0.00 57.16 57.31 2tdx n GLU 49 Cb 0.76 -1.81 -0.09 0.00 -0.02 0.00 0.00 31.44 30.28 2tdx n GLU 49 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2tdx h ARG 50 N 0.00 0.46 -0.04 3.49 2.47 -1.71 -3.17 114.38 115.88 2tdx h ARG 50 Ca 0.00 -0.57 0.00 0.00 -1.26 0.00 0.00 59.98 58.15 2tdx h ARG 50 Cb 0.43 0.18 0.00 0.00 -1.65 0.00 0.00 29.97 28.93 2tdx h ARG 50 CO 0.00 1.21 0.00 -0.25 0.56 0.00 0.00 179.97 181.49 2tdx n ASP 51 N -3.73 2.16 -0.46 7.04 8.00 -1.09 -4.95 116.55 123.53 2tdx n ASP 51 Ca -0.09 -1.72 -0.04 0.00 0.71 0.00 0.00 54.79 53.65 2tdx n ASP 51 Cb 0.91 -0.01 -0.00 0.00 -0.02 0.00 0.00 41.12 42.00 2tdx n ASP 51 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2tdx n GLY 52 N 1.25 0.22 0.08 0.44 0.00 -0.80 -4.95 105.19 101.44 2tdx n GLY 52 Ca 0.17 -0.72 0.12 0.00 0.00 0.00 0.00 46.02 45.59 2tdx n GLY 52 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2tdx n LEU 53 N -0.58 0.63 -3.66 0.99 4.77 -0.37 -4.43 117.00 114.34 2tdx n LEU 53 Ca -0.05 -0.05 -0.03 0.00 -0.03 0.00 0.00 56.01 55.85 2tdx n LEU 53 Cb 0.52 -0.22 -0.01 0.00 -2.33 0.00 0.00 43.42 41.37 2tdx n LEU 53 CO 0.06 0.14 0.81 0.54 -1.33 0.00 0.00 177.39 177.61 2tdx s VAL 54 N -2.83 0.00 -0.01 4.08 0.11 -1.25 -2.71 120.40 117.80 2tdx s VAL 54 Ca 0.16 -0.39 0.01 0.00 -2.93 0.00 0.00 61.98 58.83 2tdx s VAL 54 Cb 0.18 -1.73 0.00 0.00 -1.53 0.00 0.00 36.38 33.30 2tdx s VAL 54 CO 0.63 0.00 -0.04 0.68 -3.33 0.00 0.00 175.10 173.04 2tdx s VAL 55 N -2.99 0.33 -0.33 2.04 -7.23 0.12 -4.22 120.40 108.12 2tdx s VAL 55 Ca 0.11 -0.14 -0.10 0.00 -1.81 0.00 0.00 61.98 60.05 2tdx s VAL 55 Cb 0.00 -0.31 0.01 0.00 0.56 0.00 0.00 36.38 36.64 2tdx s VAL 55 CO -0.02 0.11 0.16 -0.69 -0.31 0.00 0.00 175.10 174.36 2tdx s VAL 56 N 0.15 4.51 0.99 1.32 1.01 -1.26 -0.56 120.40 126.56 2tdx s VAL 56 Ca -0.01 -0.60 -0.11 0.00 0.00 0.00 0.00 61.98 61.26 2tdx s VAL 56 Cb -0.04 -3.38 0.18 0.00 0.00 0.00 0.00 36.38 33.14 2tdx s VAL 56 CO -0.00 -0.03 1.10 0.00 0.00 0.00 0.00 175.10 176.16 2tdx s ALA 57 N 1.58 0.89 0.00 5.51 0.00 0.79 -4.77 121.76 125.76 2tdx s ALA 57 Ca 0.03 0.24 0.00 0.00 0.00 0.00 0.00 51.96 52.23 2tdx s ALA 57 Cb -0.18 -3.33 0.00 0.00 0.00 0.00 0.00 23.12 19.61 2tdx s ALA 57 CO 0.06 -3.00 0.81 -1.13 0.00 0.00 0.00 175.76 172.50 2tdx n SER 58 N -4.37 2.22 -0.26 0.00 3.41 -1.26 0.01 113.62 113.38 2tdx n SER 58 Ca 0.08 -1.45 0.00 0.00 -0.26 0.00 0.00 58.87 57.24 2tdx n SER 58 Cb 0.53 -0.45 0.00 0.00 -0.26 0.00 0.00 64.21 64.03 2tdx n SER 58 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 2tdx n ASP 59 N 1.42 0.00 -0.57 4.04 5.75 -1.26 -4.97 116.55 120.96 2tdx n ASP 59 Ca 0.00 -1.20 -0.07 0.00 -0.01 0.00 0.00 54.79 53.50 2tdx n ASP 59 Cb 0.24 -0.04 -0.03 0.00 -1.03 0.00 0.00 41.12 40.26 2tdx n ASP 59 CO 0.00 0.00 0.00 -1.14 -0.11 0.00 0.00 177.20 175.95 2tdx n ARG 60 N 0.00 -1.35 -2.59 0.11 0.63 0.10 -4.95 116.66 108.61 2tdx n ARG 60 Ca 0.00 0.70 -0.41 0.00 -0.92 0.00 0.00 57.85 57.22 2tdx n ARG 60 Cb 0.54 -4.87 -0.04 0.00 0.45 0.00 0.00 32.46 28.54 2tdx n ARG 60 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 2tdx s SER 61 N -2.38 7.38 -0.44 6.15 0.15 -1.25 -4.36 113.70 118.95 2tdx s SER 61 Ca 0.00 2.02 -0.18 0.00 0.70 0.00 0.00 55.95 58.49 2tdx s SER 61 Cb 0.00 -2.60 0.03 0.00 -1.71 0.00 0.00 66.02 61.74 2tdx s SER 61 CO 0.00 -0.12 0.50 -0.76 1.20 0.00 0.00 173.24 174.07 2tdx s LEU 62 N -0.53 4.87 -0.36 3.45 1.43 -0.01 -0.15 118.68 127.38 2tdx s LEU 62 Ca 0.47 -0.71 -0.05 0.00 -1.03 0.00 0.00 54.13 52.81 2tdx s LEU 62 Cb -0.28 -2.44 0.07 0.00 0.03 0.00 0.00 46.19 43.57 2tdx s LEU 62 CO 0.34 -0.68 0.14 -1.10 0.23 0.00 0.00 176.35 175.28 2tdx s GLN 63 N 2.31 2.41 0.66 1.70 -0.21 0.28 -4.69 119.66 122.12 2tdx s GLN 63 Ca 0.14 -1.42 -0.17 0.00 0.02 0.00 0.00 55.36 53.92 2tdx s GLN 63 Cb -0.17 -3.49 -0.00 0.00 1.00 0.00 0.00 33.01 30.34 2tdx s GLN 63 CO 0.14 -0.82 1.27 -1.64 -2.12 0.00 0.00 175.29 172.11 2tdx s MET 64 N 1.30 2.49 0.36 2.91 -1.94 -1.26 0.16 119.30 123.32 2tdx s MET 64 Ca 0.01 1.98 0.01 0.00 -1.71 0.00 0.00 55.69 55.98 2tdx s MET 64 Cb -0.21 -1.85 -0.03 0.00 2.01 0.00 0.00 34.83 34.75 2tdx s MET 64 CO -0.00 -1.63 0.56 0.95 -0.01 0.00 0.00 175.02 174.89 2tdx s THR 65 N -1.54 4.90 0.57 2.05 -4.23 -1.10 -4.74 115.64 111.56 2tdx s THR 65 Ca 0.80 -0.51 0.24 0.00 -1.18 0.00 0.00 61.69 61.04 2tdx s THR 65 Cb -0.35 -3.79 0.35 0.00 1.34 0.00 0.00 72.50 70.05 2tdx s THR 65 CO 0.40 -0.50 1.20 -2.65 -0.54 0.00 0.00 174.62 172.53 2tdx n PRO 66 N -1.81 0.01 -0.10 3.99 -0.02 -1.26 -0.11 135.00 135.71 2tdx n PRO 66 Ca -0.04 0.95 -0.22 0.00 -2.02 0.00 0.00 63.50 62.17 2tdx n PRO 66 Cb 0.56 -2.38 -0.12 0.00 -0.02 0.00 0.00 33.50 31.55 2tdx n PRO 66 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 2tdx n THR 67 N -3.08 1.55 -0.14 3.45 -1.04 -1.26 -3.18 114.28 110.58 2tdx n THR 67 Ca 0.21 -0.08 -0.05 0.00 -2.04 0.00 0.00 64.05 62.09 2tdx n THR 67 Cb 1.42 -2.02 0.02 0.00 -1.82 0.00 0.00 70.33 67.93 2tdx n THR 67 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 2tdx h GLY 68 N -0.85 0.14 0.48 3.41 0.00 -0.64 -0.67 103.07 104.94 2tdx h GLY 68 Ca -0.36 0.25 0.08 0.00 0.00 0.00 0.00 47.33 47.30 2tdx h GLY 68 CO -0.19 -0.20 0.24 -0.09 0.00 0.00 0.00 176.54 176.29 2tdx h ARG 69 N -0.10 0.43 -0.87 4.80 2.43 -1.40 0.18 114.38 119.84 2tdx h ARG 69 Ca 0.21 -0.03 0.05 0.00 -0.81 0.00 0.00 59.98 59.41 2tdx h ARG 69 Cb 0.44 -0.10 -0.05 0.00 -0.42 0.00 0.00 29.97 29.84 2tdx h ARG 69 CO -0.51 0.28 0.57 1.15 -1.51 0.00 0.00 179.97 179.95 2tdx h THR 70 N 0.44 1.11 -0.09 0.20 2.02 -1.17 0.50 112.91 115.92 2tdx h THR 70 Ca 0.29 -0.36 -0.22 0.00 0.77 0.00 0.00 66.41 66.88 2tdx h THR 70 Cb 0.31 -0.03 0.01 0.00 -1.74 0.00 0.00 68.15 66.71 2tdx h THR 70 CO -0.26 0.19 -0.81 0.25 0.37 0.00 0.00 175.52 175.25 2tdx h LEU 71 N 1.04 0.88 -0.54 2.58 5.85 0.17 -2.04 115.31 123.26 2tdx h LEU 71 Ca 0.36 -0.67 0.00 0.00 0.84 0.00 0.00 57.88 58.41 2tdx h LEU 71 Cb 0.10 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 40.84 2tdx h LEU 71 CO -0.12 1.42 0.35 0.00 -0.34 0.00 0.00 178.44 179.75 2tdx h ALA 72 N 0.48 0.69 -0.33 1.25 0.00 -0.14 -0.02 119.26 121.19 2tdx h ALA 72 Ca -0.08 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 54.82 2tdx h ALA 72 Cb 1.46 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.99 2tdx h ALA 72 CO 0.16 0.14 0.12 1.15 0.00 0.00 0.00 179.25 180.83 2tdx h THR 73 N 0.74 0.92 -0.30 0.00 2.02 -0.89 0.24 112.91 115.64 2tdx h THR 73 Ca 0.20 -0.09 0.06 0.00 0.77 0.00 0.00 66.41 67.34 2tdx h THR 73 Cb -0.07 0.62 -0.05 0.00 -1.74 0.00 0.00 68.15 66.92 2tdx h THR 73 CO -0.04 0.05 -0.04 0.00 0.37 0.00 0.00 175.52 175.85 2tdx h ALA 74 N 1.21 0.22 -0.78 6.16 0.00 -0.56 0.10 119.26 125.61 2tdx h ALA 74 Ca 0.15 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 2tdx h ALA 74 Cb 0.11 0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 2tdx h ALA 74 CO -0.14 -0.44 0.46 0.28 0.00 0.00 0.00 179.25 179.40 2tdx h VAL 75 N 0.03 1.22 -0.23 0.00 2.07 -0.56 -2.45 116.25 116.33 2tdx h VAL 75 Ca 0.14 -0.49 -0.11 0.00 0.82 0.00 0.00 66.70 67.06 2tdx h VAL 75 Cb 0.21 0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 30.11 2tdx h VAL 75 CO -0.28 0.23 -0.33 -0.03 0.02 0.00 0.00 177.57 177.19 2tdx h MET 76 N 1.07 0.49 -0.30 1.57 1.85 -0.37 -2.32 114.93 116.92 2tdx h MET 76 Ca 0.28 -0.21 -0.09 0.00 -0.61 0.00 0.00 59.70 59.07 2tdx h MET 76 Cb -0.03 -0.01 -0.01 0.00 0.43 0.00 0.00 31.60 31.98 2tdx h MET 76 CO -0.05 0.76 -0.15 -0.09 -0.40 0.00 0.00 176.91 176.98 2tdx h ARG 77 N 0.42 0.63 -0.38 0.39 2.43 -0.55 -2.64 114.38 114.67 2tdx h ARG 77 Ca 0.05 -0.28 -0.04 0.00 -0.81 0.00 0.00 59.98 58.90 2tdx h ARG 77 Cb 0.78 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.30 2tdx h ARG 77 CO 0.06 0.86 0.06 0.87 -1.51 0.00 0.00 179.97 180.31 2tdx h LYS 78 N 0.38 0.62 0.27 0.20 1.57 -1.43 -1.26 116.57 116.91 2tdx h LYS 78 Ca 0.07 -0.17 0.01 0.00 -1.87 0.00 0.00 60.65 58.68 2tdx h LYS 78 Cb 0.67 -0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.87 2tdx h LYS 78 CO 0.04 0.68 -0.45 1.25 -0.57 0.00 0.00 179.45 180.40 2tdx h HIS 79 N 0.47 -1.27 0.00 -1.35 2.76 -1.43 0.30 115.15 114.62 2tdx h HIS 79 Ca 0.11 0.02 -0.06 0.00 -2.20 0.00 0.00 60.37 58.25 2tdx h HIS 79 Cb 0.36 0.52 -0.01 0.00 1.55 0.00 0.00 27.41 29.83 2tdx h HIS 79 CO 0.02 -0.58 -0.26 0.00 -1.30 0.00 0.00 177.93 175.81 2tdx h ARG 80 N -0.79 0.00 -0.01 5.26 3.08 -1.47 -1.79 114.38 118.66 2tdx h ARG 80 Ca -0.01 0.00 -0.22 0.00 0.07 0.00 0.00 59.98 59.81 2tdx h ARG 80 Cb 0.75 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.80 2tdx h ARG 80 CO -0.17 0.26 -0.92 1.25 -1.07 0.00 0.00 179.97 179.32 2tdx h LEU 81 N 0.00 0.57 -0.38 3.04 5.85 -0.96 -2.44 115.31 121.00 2tdx h LEU 81 Ca -0.00 -0.44 -0.01 0.00 0.84 0.00 0.00 57.88 58.27 2tdx h LEU 81 Cb 0.73 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.57 2tdx h LEU 81 CO 0.03 1.23 0.21 0.00 -0.34 0.00 0.00 178.44 179.58 2tdx h ALA 82 N 0.73 0.48 -0.71 1.25 0.00 0.06 -1.12 119.26 119.96 2tdx h ALA 82 Ca -0.08 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 54.79 2tdx h ALA 82 Cb 1.55 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 19.15 2tdx h ALA 82 CO 0.16 0.00 0.45 0.93 0.00 0.00 0.00 179.25 180.79 2tdx h GLU 83 N 0.48 0.86 -0.71 0.00 5.08 -1.35 0.93 114.58 119.87 2tdx h GLU 83 Ca 0.13 -0.05 0.04 0.00 -1.00 0.00 0.00 59.36 58.48 2tdx h GLU 83 Cb 0.05 -0.19 -0.05 0.00 0.50 0.00 0.00 28.75 29.05 2tdx h GLU 83 CO -0.02 0.57 0.43 -0.09 -1.00 0.00 0.00 179.01 178.90 2tdx h ARG 84 N 0.89 0.80 -0.14 2.33 9.65 -0.91 -1.56 114.38 125.44 2tdx h ARG 84 Ca 0.28 -0.05 -0.05 0.00 -1.10 0.00 0.00 59.98 59.07 2tdx h ARG 84 Cb -0.00 -0.18 -0.00 0.00 -1.39 0.00 0.00 29.97 28.40 2tdx h ARG 84 CO -0.10 0.53 -0.10 1.25 2.80 0.00 0.00 179.97 184.34 2tdx h LEU 85 N 0.82 0.34 -1.94 3.80 5.85 -0.51 0.10 115.31 123.77 2tdx h LEU 85 Ca 0.30 -0.45 0.00 0.00 0.84 0.00 0.00 57.88 58.57 2tdx h LEU 85 Cb 0.09 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.02 2tdx h LEU 85 CO -0.14 0.71 0.00 -0.07 -0.34 0.00 0.00 178.44 178.61 2tdx h LEU 86 N -0.04 0.00 0.00 2.25 3.38 -0.58 -1.84 115.31 118.49 2tdx h LEU 86 Ca 0.03 0.00 -0.36 0.00 0.09 0.00 0.00 57.88 57.63 2tdx h LEU 86 Cb 0.60 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.30 2tdx h LEU 86 CO 0.03 0.00 -2.25 0.41 0.09 0.00 0.00 178.44 176.72 2tdx n THR 87 N -2.66 1.24 -0.02 0.22 -1.04 -0.61 -0.42 114.28 110.99 2tdx n THR 87 Ca -0.01 -0.36 -0.16 0.00 -2.04 0.00 0.00 64.05 61.48 2tdx n THR 87 Cb 0.10 -1.64 -0.12 0.00 -1.82 0.00 0.00 70.33 66.86 2tdx n THR 87 CO 0.00 0.00 0.00 0.44 -0.64 0.00 0.00 175.07 174.87 2tdx h ASP 88 N -0.57 0.27 0.00 8.00 5.19 -0.77 -3.33 116.42 125.22 2tdx h ASP 88 Ca -0.55 -0.80 -0.29 0.00 -0.62 0.00 0.00 57.03 54.77 2tdx h ASP 88 Cb 1.57 -0.08 -0.05 0.00 0.18 0.00 0.00 39.33 40.95 2tdx h ASP 88 CO -0.27 1.04 -2.09 2.30 -3.12 0.00 0.00 179.24 177.11 2tdx n ILE 89 N -4.44 1.09 0.05 0.35 -6.64 -0.74 -4.68 119.36 104.36 2tdx n ILE 89 Ca -0.10 -0.57 -0.18 0.00 -1.77 0.00 0.00 62.75 60.13 2tdx n ILE 89 Cb 0.55 -0.84 -0.14 0.00 -1.44 0.00 0.00 39.64 37.77 2tdx n ILE 89 CO 0.00 0.00 0.00 0.40 -1.77 0.00 0.00 176.55 175.18 2tdx h ILE 90 N 0.00 1.04 0.00 7.28 2.04 -1.61 -3.49 117.51 122.77 2tdx h ILE 90 Ca -0.43 -2.69 0.00 0.00 1.00 0.00 0.00 64.86 62.74 2tdx h ILE 90 Cb 1.85 2.71 0.00 0.00 -0.74 0.00 0.00 36.82 40.64 2tdx h ILE 90 CO -0.01 0.81 0.00 0.61 0.00 0.00 0.00 178.15 179.56 2tdx n GLY 91 N 1.73 0.48 3.77 5.37 0.00 -1.03 -5.00 105.19 110.50 2tdx n GLY 91 Ca -0.19 -0.92 -0.40 0.00 0.00 0.00 0.00 46.02 44.51 2tdx n GLY 91 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2tdx s LEU 92 N 0.00 4.30 0.02 0.99 2.96 0.44 -4.87 118.68 122.53 2tdx s LEU 92 Ca 0.00 2.77 -0.38 0.00 -0.22 0.00 0.00 54.13 56.30 2tdx s LEU 92 Cb 0.00 -3.77 -0.18 0.00 0.50 0.00 0.00 46.19 42.74 2tdx s LEU 92 CO 0.00 -0.78 1.29 -0.67 -1.32 0.00 0.00 176.35 174.87 2tdx n ASP 93 N 0.39 1.19 0.31 3.68 -0.08 -1.26 -4.70 116.55 116.08 2tdx n ASP 93 Ca 0.02 1.13 0.19 0.00 -1.51 0.00 0.00 54.79 54.62 2tdx n ASP 93 Cb 0.42 -1.10 1.02 0.00 2.34 0.00 0.00 41.12 43.80 2tdx n ASP 93 CO 0.00 0.00 0.00 -0.29 0.12 0.00 0.00 177.20 177.03 2tdx h ILE 94 N 3.38 0.14 0.00 5.18 6.09 -1.93 0.76 117.51 131.14 2tdx h ILE 94 Ca -0.49 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.00 2tdx h ILE 94 Cb 1.36 0.88 0.00 0.00 0.47 0.00 0.00 36.82 39.53 2tdx h ILE 94 CO 0.76 0.00 0.00 0.59 -3.07 0.00 0.00 178.15 176.43 2tdx n ASN 95 N -3.25 0.00 0.00 2.19 3.02 -1.26 -3.27 115.26 112.70 2tdx n ASN 95 Ca -0.02 -0.53 0.00 0.00 -0.03 0.00 0.00 54.58 54.00 2tdx n ASN 95 Cb 0.20 -0.14 0.00 0.00 -0.61 0.00 0.00 39.78 39.24 2tdx n ASN 95 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2tdx n LYS 96 N -1.14 4.14 -0.27 3.52 5.02 0.22 -4.76 118.16 124.89 2tdx n LYS 96 Ca 0.18 0.00 0.09 0.00 -2.02 0.00 0.00 58.31 56.56 2tdx n LYS 96 Cb 0.16 -0.60 0.23 0.00 -0.02 0.00 0.00 35.03 34.80 2tdx n LYS 96 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2tdx h VAL 97 N 0.00 0.43 0.06 -0.18 2.07 -1.42 -1.97 116.25 115.24 2tdx h VAL 97 Ca 0.00 -0.09 -0.00 0.00 0.82 0.00 0.00 66.70 67.43 2tdx h VAL 97 Cb 0.00 0.15 0.00 0.00 -1.52 0.00 0.00 31.29 29.92 2tdx h VAL 97 CO 0.00 0.05 -0.03 -0.74 0.02 0.00 0.00 177.57 176.87 2tdx h HIS 98 N 0.26 -0.07 -0.96 1.57 -0.00 -1.86 -1.24 115.15 112.85 2tdx h HIS 98 Ca 0.48 -0.00 0.31 0.00 -0.00 0.00 0.00 60.37 61.16 2tdx h HIS 98 Cb 0.89 0.02 -0.17 0.00 -0.00 0.00 0.00 27.41 28.15 2tdx h HIS 98 CO -0.26 -0.04 0.31 -0.44 -0.00 0.00 0.00 177.93 177.50 2tdx h ASP 99 N -0.09 0.03 -0.66 3.26 3.32 -1.87 1.05 116.42 121.45 2tdx h ASP 99 Ca -0.01 0.24 -0.02 0.00 0.02 0.00 0.00 57.03 57.26 2tdx h ASP 99 Cb 0.06 0.31 -0.03 0.00 0.22 0.00 0.00 39.33 39.89 2tdx h ASP 99 CO 0.01 -0.29 0.34 -0.08 -1.72 0.00 0.00 179.24 177.50 2tdx h GLU 100 N 0.11 0.95 -0.03 3.56 4.57 -1.33 -2.28 114.58 120.13 2tdx h GLU 100 Ca 0.68 -0.13 -0.11 0.00 -1.18 0.00 0.00 59.36 58.61 2tdx h GLU 100 Cb 1.54 -0.18 -0.01 0.00 -0.16 0.00 0.00 28.75 29.94 2tdx h GLU 100 CO -0.76 0.74 -0.52 0.00 -1.18 0.00 0.00 179.01 177.30 2tdx h ALA 101 N 1.16 1.10 0.00 2.92 0.00 0.21 -1.26 119.26 123.39 2tdx h ALA 101 Ca 0.23 -0.47 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 2tdx h ALA 101 Cb 0.09 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 2tdx h ALA 101 CO -0.03 0.65 -0.06 0.22 0.00 0.00 0.00 179.25 180.03 2tdx h ASP 102 N 0.05 0.00 0.06 0.00 1.82 0.43 -1.73 116.42 117.05 2tdx h ASP 102 Ca -0.00 0.00 -0.32 0.00 -0.39 0.00 0.00 57.03 56.32 2tdx h ASP 102 Cb 0.93 0.00 -0.03 0.00 0.68 0.00 0.00 39.33 40.91 2tdx h ASP 102 CO 0.07 0.06 -1.76 0.54 -1.61 0.00 0.00 179.24 176.54 2tdx n ARG 103 N -3.80 0.66 -0.18 0.28 1.74 -0.70 -4.43 116.66 110.23 2tdx n ARG 103 Ca -0.02 0.39 -0.10 0.00 -0.77 0.00 0.00 57.85 57.34 2tdx n ARG 103 Cb 0.16 -1.70 0.01 0.00 -1.02 0.00 0.00 32.46 29.91 2tdx n ARG 103 CO 0.00 0.00 0.00 -1.49 -1.52 0.00 0.00 177.63 174.62 2tdx h TRP 104 N -0.46 0.98 0.00 -1.55 4.06 -1.13 -3.18 115.95 114.68 2tdx h TRP 104 Ca -0.42 -0.17 0.00 0.00 2.06 0.00 0.00 58.89 60.35 2tdx h TRP 104 Cb 1.69 -0.25 0.00 0.00 -1.00 0.00 0.00 29.16 29.60 2tdx h TRP 104 CO 0.07 0.92 0.75 1.05 -3.56 0.00 0.00 178.44 177.67 2tdx h GLU 105 N 0.76 0.00 -0.29 0.49 4.11 -1.53 0.33 114.58 118.46 2tdx h GLU 105 Ca 0.14 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.57 2tdx h GLU 105 Cb 0.53 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.78 2tdx h GLU 105 CO 0.03 0.00 0.00 0.72 0.07 0.00 0.00 179.01 179.83 2tdx n HIS 106 N -2.60 0.37 -0.17 2.06 8.25 -1.20 -4.34 115.22 117.59 2tdx n HIS 106 Ca -0.01 -0.18 0.00 0.00 -0.26 0.00 0.00 57.72 57.27 2tdx n HIS 106 Cb 0.77 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.88 2tdx n HIS 106 CO 0.00 0.00 0.00 1.33 0.64 0.00 0.00 176.34 178.31 2tdx n VAL 107 N 1.18 0.00 -2.45 1.59 0.24 0.11 -5.01 118.33 113.99 2tdx n VAL 107 Ca 0.18 -0.18 -0.35 0.00 -2.04 0.00 0.00 64.34 61.95 2tdx n VAL 107 Cb 0.54 1.17 -0.03 0.00 -1.47 0.00 0.00 33.84 34.05 2tdx n VAL 107 CO 0.00 0.00 0.00 -0.04 -2.14 0.00 0.00 176.83 174.65 2tdx s MET 108 N -0.26 3.84 0.46 7.34 -1.94 -0.95 -5.05 119.30 122.74 2tdx s MET 108 Ca 0.00 1.52 0.08 0.00 -1.71 0.00 0.00 55.69 55.57 2tdx s MET 108 Cb 0.00 -2.28 0.03 0.00 2.01 0.00 0.00 34.83 34.59 2tdx s MET 108 CO 0.00 -0.42 0.63 -1.54 -0.01 0.00 0.00 175.02 173.68 2tdx s SER 109 N -1.71 5.51 0.14 3.03 1.04 -1.26 -5.01 113.70 115.44 2tdx s SER 109 Ca 0.64 -0.46 -0.06 0.00 0.48 0.00 0.00 55.95 56.55 2tdx s SER 109 Cb -0.21 -0.50 -0.04 0.00 0.10 0.00 0.00 66.02 65.36 2tdx s SER 109 CO 0.26 -0.91 1.37 0.44 0.98 0.00 0.00 173.24 175.38 2tdx h ASP 110 N 0.50 0.67 -0.48 7.02 5.19 -1.98 -2.55 116.42 124.79 2tdx h ASP 110 Ca -0.38 -0.45 -0.02 0.00 -0.62 0.00 0.00 57.03 55.55 2tdx h ASP 110 Cb 1.28 -0.20 -0.02 0.00 0.18 0.00 0.00 39.33 40.57 2tdx h ASP 110 CO 0.45 1.22 0.23 -0.08 -3.12 0.00 0.00 179.24 177.94 2tdx h GLU 111 N 0.38 0.70 0.00 3.56 4.22 -1.98 0.19 114.58 121.64 2tdx h GLU 111 Ca -0.05 -0.11 -0.09 0.00 0.08 0.00 0.00 59.36 59.20 2tdx h GLU 111 Cb 1.38 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.49 2tdx h GLU 111 CO 0.14 0.59 -0.44 0.28 -2.18 0.00 0.00 179.01 177.41 2tdx h VAL 112 N 0.64 1.16 -0.13 0.32 2.07 -1.96 -1.56 116.25 116.78 2tdx h VAL 112 Ca 0.17 -1.60 -0.03 0.00 0.82 0.00 0.00 66.70 66.06 2tdx h VAL 112 Cb 0.13 1.90 -0.00 0.00 -1.52 0.00 0.00 31.29 31.79 2tdx h VAL 112 CO -0.02 0.43 -0.05 -0.33 0.02 0.00 0.00 177.57 177.62 2tdx h GLU 113 N 0.00 0.26 -0.24 1.57 5.08 -0.91 -0.05 114.58 120.29 2tdx h GLU 113 Ca -0.00 -0.11 -0.03 0.00 -1.00 0.00 0.00 59.36 58.22 2tdx h GLU 113 Cb 0.86 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.09 2tdx h GLU 113 CO 0.06 0.58 0.03 0.00 -1.00 0.00 0.00 179.01 178.68 2tdx h ARG 114 N -0.07 0.34 0.00 2.33 3.08 -0.44 -1.75 114.38 117.87 2tdx h ARG 114 Ca 0.03 -0.05 -0.15 0.00 0.07 0.00 0.00 59.98 59.88 2tdx h ARG 114 Cb 0.50 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.46 2tdx h ARG 114 CO 0.02 0.34 -0.73 0.00 -1.07 0.00 0.00 179.97 178.53 2tdx h ARG 115 N 0.34 0.00 0.13 0.04 2.47 -1.03 -3.05 114.38 113.28 2tdx h ARG 115 Ca 0.08 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.79 2tdx h ARG 115 Cb 0.18 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.50 2tdx h ARG 115 CO 0.00 0.73 -0.06 -0.07 0.56 0.00 0.00 179.97 181.13 2tdx h LEU 116 N 0.00 -0.14 -0.81 3.04 3.38 -0.18 0.22 115.31 120.82 2tdx h LEU 116 Ca -0.01 -0.35 0.20 0.00 0.09 0.00 0.00 57.88 57.81 2tdx h LEU 116 Cb 1.37 0.04 -0.13 0.00 0.09 0.00 0.00 40.66 42.03 2tdx h LEU 116 CO 0.09 0.30 0.17 0.58 0.09 0.00 0.00 178.44 179.67 2tdx h VAL 117 N -0.63 0.38 -0.06 1.22 2.07 -1.40 2.63 116.25 120.46 2tdx h VAL 117 Ca -0.02 -0.07 -0.16 0.00 0.82 0.00 0.00 66.70 67.27 2tdx h VAL 117 Cb 0.48 0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 30.40 2tdx h VAL 117 CO 0.03 0.04 -0.66 0.50 0.02 0.00 0.00 177.57 177.50 2tdx h LYS 118 N 0.21 0.27 0.00 1.57 3.64 -1.43 -3.24 116.57 117.59 2tdx h LYS 118 Ca 0.48 -0.20 -0.26 0.00 -1.27 0.00 0.00 60.65 59.40 2tdx h LYS 118 Cb 0.89 0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 32.71 2tdx h LYS 118 CO -0.61 0.83 -1.43 0.28 -2.27 0.00 0.00 179.45 176.25 2tdx h VAL 119 N 0.19 1.19 -3.92 2.00 2.07 0.29 -3.47 116.25 114.61 2tdx h VAL 119 Ca -0.01 -2.98 -0.46 0.00 0.82 0.00 0.00 66.70 64.06 2tdx h VAL 119 Cb 1.19 2.59 -0.02 0.00 -1.52 0.00 0.00 31.29 33.53 2tdx h VAL 119 CO 0.10 0.69 0.31 -0.76 0.02 0.00 0.00 177.57 177.93 2tdx s LEU 120 N -6.36 4.19 -0.08 2.57 1.43 0.85 -5.01 118.68 116.26 2tdx s LEU 120 Ca -0.03 1.73 -0.25 0.00 -1.03 0.00 0.00 54.13 54.55 2tdx s LEU 120 Cb 0.09 -4.17 -0.27 0.00 0.03 0.00 0.00 46.19 41.86 2tdx s LEU 120 CO 0.82 -0.17 0.89 0.50 0.23 0.00 0.00 176.35 178.62 2tdx h LYS 121 N 2.71 0.16 -4.90 1.70 3.11 -1.86 -3.45 116.57 114.04 2tdx h LYS 121 Ca -0.48 -0.25 -0.66 0.00 -2.81 0.00 0.00 60.65 56.46 2tdx h LYS 121 Cb 1.19 0.09 -0.36 0.00 -1.00 0.00 0.00 32.23 32.14 2tdx h LYS 121 CO 0.64 1.08 -0.83 -0.51 -2.81 0.00 0.00 179.45 177.01 2tdx s ASP 122 N -6.54 3.67 -0.08 4.20 1.01 -1.26 -4.97 116.67 112.71 2tdx s ASP 122 Ca -0.16 -0.97 0.11 0.00 0.71 0.00 0.00 52.55 52.24 2tdx s ASP 122 Cb -0.00 -1.46 0.23 0.00 1.01 0.00 0.00 42.92 42.70 2tdx s ASP 122 CO 0.76 -0.10 1.16 1.33 0.21 0.00 0.00 175.17 178.53 2tdx n VAL 123 N 4.56 1.53 -0.01 -1.27 0.24 -1.26 -4.62 118.33 117.50 2tdx n VAL 123 Ca -0.17 -1.61 -0.09 0.00 -2.04 0.00 0.00 64.34 60.43 2tdx n VAL 123 Cb 0.46 0.11 -0.14 0.00 -1.47 0.00 0.00 33.84 32.80 2tdx n VAL 123 CO 0.00 0.00 0.00 0.77 -2.14 0.00 0.00 176.83 175.46 2tdx h SER 124 N 0.57 0.04 -4.18 -1.34 4.64 -1.93 -3.41 113.55 107.94 2tdx h SER 124 Ca 0.00 -0.08 -0.43 0.00 -0.47 0.00 0.00 61.79 60.81 2tdx h SER 124 Cb 0.87 -0.01 -0.19 0.00 -0.31 0.00 0.00 62.40 62.75 2tdx h SER 124 CO 0.04 1.07 -0.77 -0.13 -0.87 0.00 0.00 176.83 176.17 2tdx s ARG 125 N -2.61 0.98 0.78 4.77 0.52 -1.26 -1.69 118.95 120.44 2tdx s ARG 125 Ca -0.05 -1.15 -0.08 0.00 -0.52 0.00 0.00 55.73 53.93 2tdx s ARG 125 Cb 0.08 -0.93 0.11 0.00 0.52 0.00 0.00 34.95 34.73 2tdx s ARG 125 CO 0.82 0.19 1.09 -1.54 0.02 0.00 0.00 175.30 175.88 2tdx s SER 126 N -2.20 4.25 0.00 0.23 1.04 0.20 -4.86 113.70 112.37 2tdx s SER 126 Ca 0.06 0.20 0.07 0.00 0.48 0.00 0.00 55.95 56.75 2tdx s SER 126 Cb -0.07 -0.62 0.37 0.00 0.10 0.00 0.00 66.02 65.80 2tdx s SER 126 CO 0.03 -1.96 1.05 -0.81 0.98 0.00 0.00 173.24 172.53 2tdx n PRO 127 N -3.12 0.12 -0.31 4.02 -0.04 -1.26 -1.95 135.00 132.46 2tdx n PRO 127 Ca 0.12 0.18 0.08 0.00 -0.04 0.00 0.00 63.50 63.83 2tdx n PRO 127 Cb 0.60 -1.50 0.21 0.00 -0.04 0.00 0.00 33.50 32.77 2tdx n PRO 127 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2tdx n PHE 128 N -1.24 0.67 -0.16 0.54 3.72 -1.26 -4.97 117.46 114.77 2tdx n PHE 128 Ca 0.04 -0.77 0.00 0.00 -0.05 0.00 0.00 57.45 56.66 2tdx n PHE 128 Cb 0.05 -0.21 0.00 0.00 -0.94 0.00 0.00 39.48 38.38 2tdx n PHE 128 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2tdx n GLY 129 N -0.35 1.60 3.81 1.37 0.00 -0.82 -5.03 105.19 105.76 2tdx n GLY 129 Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 2tdx n GLY 129 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2tdx s ASN 130 N -3.18 7.06 0.49 1.61 0.01 -1.26 -4.75 114.94 114.93 2tdx s ASN 130 Ca 0.00 1.61 -0.19 0.00 -0.71 0.00 0.00 52.86 53.57 2tdx s ASN 130 Cb 0.00 -2.50 -0.08 0.00 0.41 0.00 0.00 41.25 39.08 2tdx s ASN 130 CO 0.00 -0.16 1.00 -2.84 -1.51 0.00 0.00 177.10 173.59 2tdx s PRO 131 N -2.56 3.88 -0.40 -0.60 0.02 -1.26 0.62 135.00 134.70 2tdx s PRO 131 Ca 0.53 1.16 -0.16 0.00 0.02 0.00 0.00 61.00 62.55 2tdx s PRO 131 Cb -0.14 -2.12 0.01 0.00 0.02 0.00 0.00 34.50 32.28 2tdx s PRO 131 CO 0.19 -0.34 0.39 0.42 -0.33 0.00 0.00 177.00 177.33 2tdx s ILE 132 N -2.28 5.14 0.70 2.83 1.01 -0.68 -4.78 121.20 123.14 2tdx s ILE 132 Ca 0.63 -0.30 -0.10 0.00 0.00 0.00 0.00 60.65 60.88 2tdx s ILE 132 Cb -0.13 -3.96 0.03 0.00 0.01 0.00 0.00 42.46 38.41 2tdx s ILE 132 CO 0.23 -0.32 1.06 -2.16 0.00 0.00 0.00 174.94 173.76 2tdx s PRO 133 N 2.03 2.69 0.00 2.79 0.04 -1.26 -4.39 135.00 136.90 2tdx s PRO 133 Ca 0.11 0.25 0.00 0.00 0.04 0.00 0.00 61.00 61.40 2tdx s PRO 133 Cb -0.17 -2.08 0.00 0.00 0.04 0.00 0.00 34.50 32.29 2tdx s PRO 133 CO 0.13 -1.06 0.00 0.41 0.04 0.00 0.00 177.00 176.51 2tdx n GLY 134 N -2.95 0.36 0.32 0.56 0.00 -1.26 -4.39 105.19 97.83 2tdx n GLY 134 Ca 0.07 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.28 2tdx n GLY 134 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2tdx h LEU 135 N 0.00 0.00 -0.63 0.99 3.38 -1.97 -1.17 115.31 115.91 2tdx h LEU 135 Ca 0.00 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.85 2tdx h LEU 135 Cb 0.26 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 2tdx h LEU 135 CO 0.00 0.00 -0.23 -2.24 0.09 0.00 0.00 178.44 176.06 2tdx h ASP 136 N 0.00 0.85 -0.07 -0.43 3.04 -1.90 -2.64 116.42 115.26 2tdx h ASP 136 Ca 0.00 -0.31 -0.07 0.00 -3.24 0.00 0.00 57.03 53.41 2tdx h ASP 136 Cb 0.02 -0.23 -0.01 0.00 -1.04 0.00 0.00 39.33 38.07 2tdx h ASP 136 CO -0.00 1.04 -0.15 -0.33 -2.04 0.00 0.00 179.24 177.76 2tdx h GLU 137 N 0.72 0.43 0.00 4.15 3.07 -1.62 -3.22 114.58 118.10 2tdx h GLU 137 Ca 0.09 -0.12 0.00 0.00 -0.50 0.00 0.00 59.36 58.83 2tdx h GLU 137 Cb 0.77 -0.04 0.00 0.00 -0.84 0.00 0.00 28.75 28.63 2tdx h GLU 137 CO 0.06 0.58 0.00 -0.11 -1.40 0.00 0.00 179.01 178.14 2tdx n LEU 138 N -4.20 0.00 0.00 1.33 7.94 -1.01 -5.19 117.00 115.87 2tdx n LEU 138 Ca 0.00 0.57 0.00 0.00 -1.11 0.00 0.00 56.01 55.47 2tdx n LEU 138 Cb 0.33 -0.07 0.00 0.00 0.53 0.00 0.00 43.42 44.21 2tdx n LEU 138 CO 0.40 -0.07 0.00 0.61 -1.11 0.00 0.00 177.39 177.22