#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ddn n LEU 4 N 0.00 0.09 0.00 -2.67 4.32 -1.26 -4.90 117.00 112.59 1ddn n LEU 4 Ca 0.00 -0.03 0.00 0.00 -0.02 0.00 0.00 56.01 55.96 1ddn n LEU 4 Cb 0.00 -0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.80 1ddn n LEU 4 CO 0.00 0.02 0.00 0.52 -1.22 0.00 0.00 177.39 176.71 1ddn n VAL 5 N -0.85 0.00 -4.16 4.08 0.31 -1.26 -4.33 118.33 112.12 1ddn n VAL 5 Ca 0.20 0.00 -0.25 0.00 -0.01 0.00 0.00 64.34 64.28 1ddn n VAL 5 Cb 0.11 0.00 -0.17 0.00 -0.91 0.00 0.00 33.84 32.87 1ddn n VAL 5 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1ddn s ASP 6 N 0.00 1.79 -0.05 4.52 -1.08 -1.26 -5.07 116.67 115.52 1ddn s ASP 6 Ca 0.00 -0.25 -0.14 0.00 -0.52 0.00 0.00 52.55 51.63 1ddn s ASP 6 Cb 0.00 -0.74 -0.09 0.00 -1.46 0.00 0.00 42.92 40.63 1ddn s ASP 6 CO 0.00 -0.06 0.59 0.74 0.52 0.00 0.00 175.17 176.96 1ddn h THR 7 N 6.11 0.20 -0.76 1.71 2.02 -2.01 -3.16 112.91 117.02 1ddn h THR 7 Ca -0.31 -0.79 0.17 0.00 0.77 0.00 0.00 66.41 66.26 1ddn h THR 7 Cb 1.15 0.33 -0.12 0.00 -1.74 0.00 0.00 68.15 67.77 1ddn h THR 7 CO 0.43 0.05 0.11 0.74 0.37 0.00 0.00 175.52 177.22 1ddn h THR 8 N -1.06 0.41 -0.68 3.16 2.02 -1.97 -0.58 112.91 114.21 1ddn h THR 8 Ca -0.04 -0.06 -0.04 0.00 0.77 0.00 0.00 66.41 67.03 1ddn h THR 8 Cb 0.39 0.21 -0.03 0.00 -1.74 0.00 0.00 68.15 66.98 1ddn h THR 8 CO 0.07 0.03 0.26 -0.33 0.37 0.00 0.00 175.52 175.92 1ddn h GLU 9 N 0.19 1.01 -0.13 6.66 5.08 -1.96 -0.90 114.58 124.52 1ddn h GLU 9 Ca 0.43 -0.18 -0.08 0.00 -1.00 0.00 0.00 59.36 58.54 1ddn h GLU 9 Cb 0.77 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.85 1ddn h GLU 9 CO -0.59 0.84 -0.21 0.52 -1.00 0.00 0.00 179.01 178.56 1ddn h MET 10 N 0.99 0.38 -0.74 2.33 2.86 -1.13 0.16 114.93 119.77 1ddn h MET 10 Ca 0.23 -0.23 0.11 0.00 -2.06 0.00 0.00 59.70 57.75 1ddn h MET 10 Cb 0.21 0.02 -0.05 0.00 0.06 0.00 0.00 31.60 31.85 1ddn h MET 10 CO -0.02 0.81 0.49 1.88 1.06 0.00 0.00 176.91 181.14 1ddn h TYR 11 N -0.02 0.63 0.15 -0.22 -1.99 -1.01 0.25 116.97 114.77 1ddn h TYR 11 Ca 0.01 0.02 -0.01 0.00 2.00 0.00 0.00 58.73 60.75 1ddn h TYR 11 Cb 0.78 -0.20 0.00 0.00 2.00 0.00 0.00 36.73 39.31 1ddn h TYR 11 CO 0.10 0.28 -0.07 -0.07 -0.00 0.00 0.00 178.16 178.39 1ddn h LEU 12 N 0.58 -0.18 -0.84 3.88 4.07 -0.88 -2.14 115.31 119.80 1ddn h LEU 12 Ca 0.35 -0.36 0.19 0.00 0.08 0.00 0.00 57.88 58.15 1ddn h LEU 12 Cb 0.58 0.05 -0.12 0.00 1.08 0.00 0.00 40.66 42.25 1ddn h LEU 12 CO -0.12 0.39 0.31 -0.09 -1.08 0.00 0.00 178.44 177.85 1ddn h ARG 13 N -0.87 0.35 -0.33 1.13 2.43 0.04 -0.16 114.38 116.97 1ddn h ARG 13 Ca -0.02 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.12 1ddn h ARG 13 Cb 0.52 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.98 1ddn h ARG 13 CO 0.03 0.23 0.17 1.15 -1.51 0.00 0.00 179.97 180.05 1ddn h THR 14 N 0.36 1.15 0.00 0.20 2.02 -0.54 0.14 112.91 116.25 1ddn h THR 14 Ca 0.50 -0.41 -0.03 0.00 0.77 0.00 0.00 66.41 67.24 1ddn h THR 14 Cb 0.91 0.82 -0.00 0.00 -1.74 0.00 0.00 68.15 68.14 1ddn h THR 14 CO -0.52 0.15 -0.13 0.40 0.37 0.00 0.00 175.52 175.80 1ddn h ILE 15 N 0.40 1.09 0.00 3.11 2.04 -0.39 0.19 117.51 123.95 1ddn h ILE 15 Ca 0.11 -0.45 -0.00 0.00 1.00 0.00 0.00 64.86 65.52 1ddn h ILE 15 Cb 0.10 1.24 -0.00 0.00 -0.74 0.00 0.00 36.82 37.42 1ddn h ILE 15 CO -0.02 0.13 -0.00 0.22 0.00 0.00 0.00 178.15 178.48 1ddn h TYR 16 N 0.00 0.00 0.16 1.37 5.03 -0.28 -2.99 116.97 120.26 1ddn h TYR 16 Ca -0.00 0.00 -0.33 0.00 2.58 0.00 0.00 58.73 60.98 1ddn h TYR 16 Cb 0.23 0.00 0.01 0.00 1.55 0.00 0.00 36.73 38.52 1ddn h TYR 16 CO 0.00 0.00 -1.62 0.93 -1.32 0.00 0.00 178.16 176.15 1ddn h GLU 17 N 0.00 0.34 0.17 1.82 5.08 0.14 -3.11 114.58 119.02 1ddn h GLU 17 Ca -0.00 -0.59 0.00 0.00 -1.00 0.00 0.00 59.36 57.78 1ddn h GLU 17 Cb 1.00 0.22 -0.02 0.00 0.50 0.00 0.00 28.75 30.45 1ddn h GLU 17 CO 0.00 1.24 -0.17 -0.07 -1.00 0.00 0.00 179.01 179.01 1ddn h LEU 18 N 0.09 -0.46 -0.47 1.33 3.38 -0.73 -2.58 115.31 115.89 1ddn h LEU 18 Ca -0.29 0.04 0.09 0.00 0.09 0.00 0.00 57.88 57.82 1ddn h LEU 18 Cb 2.07 0.16 -0.08 0.00 0.09 0.00 0.00 40.66 42.90 1ddn h LEU 18 CO 0.18 -0.26 -0.03 -0.33 0.09 0.00 0.00 178.44 178.09 1ddn h GLU 19 N -0.37 0.08 -0.53 1.13 5.08 -1.65 -0.05 114.58 118.27 1ddn h GLU 19 Ca 0.00 -0.00 0.15 0.00 -1.00 0.00 0.00 59.36 58.51 1ddn h GLU 19 Cb 0.35 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.57 1ddn h GLU 19 CO -0.05 0.05 0.54 1.49 -1.00 0.00 0.00 179.01 180.05 1ddn h GLU 20 N 0.08 0.00 -0.20 2.33 4.81 -1.39 0.68 114.58 120.88 1ddn h GLU 20 Ca 0.23 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.44 1ddn h GLU 20 Cb 0.35 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.72 1ddn h GLU 20 CO -0.41 0.00 -0.02 -0.85 -0.73 0.00 0.00 179.01 177.00 1ddn n GLU 21 N -3.74 2.38 -1.17 1.92 0.28 -0.08 -4.98 120.64 115.26 1ddn n GLU 21 Ca 0.10 -2.83 -0.06 0.00 -0.16 0.00 0.00 57.16 54.22 1ddn n GLU 21 Cb 0.75 -1.76 -0.02 0.00 1.43 0.00 0.00 31.44 31.83 1ddn n GLU 21 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1ddn n GLY 22 N -0.82 0.68 3.82 -1.84 0.00 0.23 -5.00 105.19 102.27 1ddn n GLY 22 Ca 0.21 -0.13 -0.36 0.00 0.00 0.00 0.00 46.02 45.74 1ddn n GLY 22 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ddn s VAL 23 N -1.79 4.68 -0.27 1.61 1.01 -0.91 -5.00 120.40 119.73 1ddn s VAL 23 Ca 0.00 1.14 -0.29 0.00 0.00 0.00 0.00 61.98 62.83 1ddn s VAL 23 Cb 0.00 -3.83 -0.01 0.00 0.00 0.00 0.00 36.38 32.54 1ddn s VAL 23 CO 0.00 0.28 1.37 -0.89 0.00 0.00 0.00 175.10 175.86 1ddn s THR 24 N -1.44 4.04 -0.41 3.92 2.01 -1.26 -4.06 115.64 118.45 1ddn s THR 24 Ca 0.39 1.19 -0.27 0.00 0.31 0.00 0.00 61.69 63.31 1ddn s THR 24 Cb -0.17 -4.03 -0.06 0.00 0.01 0.00 0.00 72.50 68.25 1ddn s THR 24 CO 0.20 -0.40 2.36 -2.16 -0.69 0.00 0.00 174.62 173.93 1ddn s PRO 25 N 4.22 2.40 -0.04 4.92 0.04 -1.26 -4.90 135.00 140.39 1ddn s PRO 25 Ca 0.60 1.60 0.03 0.00 0.04 0.00 0.00 61.00 63.27 1ddn s PRO 25 Cb -0.19 -4.52 0.00 0.00 0.04 0.00 0.00 34.50 29.83 1ddn s PRO 25 CO 0.24 -2.94 -0.12 -0.51 0.04 0.00 0.00 177.00 173.71 1ddn s LEU 26 N 11.08 1.78 0.53 -3.56 1.02 -1.26 -1.64 118.68 126.63 1ddn s LEU 26 Ca 0.99 -0.25 0.45 0.00 0.02 0.00 0.00 54.13 55.33 1ddn s LEU 26 Cb -0.22 -0.71 1.66 0.00 0.02 0.00 0.00 46.19 46.94 1ddn s LEU 26 CO 0.29 0.08 1.60 0.03 0.02 0.00 0.00 176.35 178.37 1ddn h ARG 27 N 6.47 0.01 -0.68 1.70 3.08 -1.91 2.31 114.38 125.36 1ddn h ARG 27 Ca -0.33 -0.00 0.02 0.00 0.07 0.00 0.00 59.98 59.74 1ddn h ARG 27 Cb 1.17 -0.00 -0.04 0.00 0.08 0.00 0.00 29.97 31.19 1ddn h ARG 27 CO 0.48 0.01 0.45 0.00 -1.07 0.00 0.00 179.97 179.83 1ddn h ALA 28 N 1.19 1.56 0.07 0.04 0.00 -1.95 -1.06 119.26 119.11 1ddn h ALA 28 Ca 0.89 -0.04 -0.13 0.00 0.00 0.00 0.00 54.91 55.63 1ddn h ALA 28 Cb 3.41 -0.25 0.01 0.00 0.00 0.00 0.00 17.79 20.96 1ddn h ALA 28 CO -0.12 0.39 -0.55 0.00 0.00 0.00 0.00 179.25 178.97 1ddn h ARG 29 N 0.87 0.24 -0.73 0.00 2.47 0.35 -3.14 114.38 114.44 1ddn h ARG 29 Ca 0.26 -0.36 0.12 0.00 -1.26 0.00 0.00 59.98 58.74 1ddn h ARG 29 Cb -0.03 0.12 -0.09 0.00 -1.65 0.00 0.00 29.97 28.33 1ddn h ARG 29 CO -0.06 1.13 0.32 0.82 0.56 0.00 0.00 179.97 182.73 1ddn h ILE 30 N -0.47 0.72 0.02 2.04 2.04 -1.17 0.53 117.51 121.22 1ddn h ILE 30 Ca -0.09 -0.17 0.03 0.00 1.00 0.00 0.00 64.86 65.63 1ddn h ILE 30 Cb 1.38 0.19 -0.05 0.00 -0.74 0.00 0.00 36.82 37.60 1ddn h ILE 30 CO 0.10 0.09 -0.32 0.00 0.00 0.00 0.00 178.15 178.03 1ddn h ALA 31 N 1.50 -0.47 0.00 1.87 0.00 -1.26 0.39 119.26 121.28 1ddn h ALA 31 Ca 0.39 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 55.21 1ddn h ALA 31 Cb 0.53 0.56 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 1ddn h ALA 31 CO -0.35 -0.83 -0.31 1.05 0.00 0.00 0.00 179.25 178.80 1ddn h GLU 32 N -0.48 0.00 -0.04 0.00 4.11 -1.19 0.26 114.58 117.24 1ddn h GLU 32 Ca 0.06 0.00 -0.10 0.00 0.07 0.00 0.00 59.36 59.38 1ddn h GLU 32 Cb 0.56 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.81 1ddn h GLU 32 CO -0.25 0.31 -0.38 0.00 0.07 0.00 0.00 179.01 178.76 1ddn h ARG 33 N 0.00 0.33 -0.13 1.06 2.47 0.80 -3.29 114.38 115.61 1ddn h ARG 33 Ca -0.00 -0.30 0.00 0.00 -1.26 0.00 0.00 59.98 58.42 1ddn h ARG 33 Cb 0.71 0.07 0.00 0.00 -1.65 0.00 0.00 29.97 29.10 1ddn h ARG 33 CO 0.04 0.96 0.00 1.28 0.56 0.00 0.00 179.97 182.81 1ddn n LEU 34 N -4.39 1.79 -2.31 3.04 4.77 0.13 -4.95 117.00 115.09 1ddn n LEU 34 Ca -0.09 -0.71 -0.18 0.00 -0.03 0.00 0.00 56.01 55.01 1ddn n LEU 34 Cb 0.54 -0.08 0.02 0.00 -2.33 0.00 0.00 43.42 41.57 1ddn n LEU 34 CO 0.42 0.35 -0.07 -0.62 -1.33 0.00 0.00 177.39 176.15 1ddn n GLU 35 N 0.40 -3.18 -4.37 3.23 -0.58 0.70 -5.01 120.64 111.82 1ddn n GLU 35 Ca 0.17 0.76 -0.26 0.00 -0.42 0.00 0.00 57.16 57.41 1ddn n GLU 35 Cb 0.37 -5.24 -0.10 0.00 -0.57 0.00 0.00 31.44 25.89 1ddn n GLU 35 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 1ddn s GLN 36 N -5.28 1.82 0.60 3.49 -0.21 0.02 -5.02 119.66 115.08 1ddn s GLN 36 Ca 0.17 -1.47 -0.18 0.00 0.02 0.00 0.00 55.36 53.90 1ddn s GLN 36 Cb -0.08 -1.97 -0.03 0.00 1.00 0.00 0.00 33.01 31.93 1ddn s GLN 36 CO 0.21 0.40 1.16 -1.54 -2.12 0.00 0.00 175.29 173.40 1ddn s SER 37 N -2.99 5.31 0.14 5.90 1.04 -1.26 -4.46 113.70 117.39 1ddn s SER 37 Ca 0.25 2.23 -0.21 0.00 0.48 0.00 0.00 55.95 58.70 1ddn s SER 37 Cb -0.08 -2.58 0.01 0.00 0.10 0.00 0.00 66.02 63.48 1ddn s SER 37 CO 0.14 -1.50 1.66 1.23 0.98 0.00 0.00 173.24 175.74 1ddn h GLY 38 N 0.77 -0.03 1.50 7.32 0.00 -1.95 -0.87 103.07 109.81 1ddn h GLY 38 Ca -0.49 0.20 -0.03 0.00 0.00 0.00 0.00 47.33 47.01 1ddn h GLY 38 CO 0.55 -0.16 0.14 -0.56 0.00 0.00 0.00 176.54 176.51 1ddn h PRO 39 N -0.17 0.64 0.48 4.80 0.13 -1.98 0.74 132.00 136.64 1ddn h PRO 39 Ca 0.12 -0.10 -0.02 0.00 -0.87 0.00 0.00 66.00 65.13 1ddn h PRO 39 Cb 0.35 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 31.37 1ddn h PRO 39 CO -0.31 0.56 -0.23 1.15 -0.23 0.00 0.00 178.00 178.94 1ddn h THR 40 N 0.63 0.52 -0.33 1.56 2.02 -1.74 -1.54 112.91 114.03 1ddn h THR 40 Ca 0.15 -0.13 0.04 0.00 0.77 0.00 0.00 66.41 67.24 1ddn h THR 40 Cb 0.18 0.58 -0.04 0.00 -1.74 0.00 0.00 68.15 67.13 1ddn h THR 40 CO -0.01 0.02 0.08 0.58 0.37 0.00 0.00 175.52 176.56 1ddn h VAL 41 N -0.73 0.86 -0.02 3.16 2.07 -0.82 0.20 116.25 120.98 1ddn h VAL 41 Ca -0.07 -0.07 0.01 0.00 0.82 0.00 0.00 66.70 67.39 1ddn h VAL 41 Cb 0.53 0.64 -0.00 0.00 -1.52 0.00 0.00 31.29 30.95 1ddn h VAL 41 CO 0.11 0.04 0.02 0.28 0.02 0.00 0.00 177.57 178.04 1ddn h SER 42 N 0.20 0.00 0.00 0.57 0.02 -0.82 -1.72 113.55 111.80 1ddn h SER 42 Ca 0.15 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.09 1ddn h SER 42 Cb 0.15 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.69 1ddn h SER 42 CO -0.19 0.00 -0.06 -0.61 -1.14 0.00 0.00 176.83 174.84 1ddn h GLN 43 N 0.00 0.00 -0.98 3.45 4.15 0.33 -2.81 115.11 119.25 1ddn h GLN 43 Ca 0.01 0.00 0.01 0.00 0.77 0.00 0.00 58.65 59.44 1ddn h GLN 43 Cb 0.05 0.00 -0.05 0.00 0.21 0.00 0.00 27.48 27.69 1ddn h GLN 43 CO -0.00 0.88 0.65 1.15 -1.93 0.00 0.00 178.83 179.58 1ddn h THR 44 N -1.00 1.24 -0.11 2.39 2.02 -0.64 -1.96 112.91 114.85 1ddn h THR 44 Ca -0.01 -0.45 0.00 0.00 0.77 0.00 0.00 66.41 66.72 1ddn h THR 44 Cb 0.90 -0.19 -0.01 0.00 -1.74 0.00 0.00 68.15 67.12 1ddn h THR 44 CO -0.01 0.24 0.07 0.58 0.37 0.00 0.00 175.52 176.77 1ddn h VAL 45 N 1.31 1.04 -0.83 3.16 2.07 -1.44 -0.07 116.25 121.50 1ddn h VAL 45 Ca 0.36 -0.10 0.21 0.00 0.82 0.00 0.00 66.70 67.99 1ddn h VAL 45 Cb -0.14 0.90 -0.13 0.00 -1.52 0.00 0.00 31.29 30.40 1ddn h VAL 45 CO -0.08 0.04 0.17 0.00 0.02 0.00 0.00 177.57 177.71 1ddn h ALA 46 N 1.02 1.09 -0.20 1.67 0.00 -1.09 0.50 119.26 122.26 1ddn h ALA 46 Ca 0.04 0.22 -0.13 0.00 0.00 0.00 0.00 54.91 55.04 1ddn h ALA 46 Cb 0.00 0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1ddn h ALA 46 CO -0.01 -0.43 -0.45 -0.09 0.00 0.00 0.00 179.25 178.28 1ddn h ARG 47 N 0.19 0.49 -0.22 0.00 2.43 -0.90 -1.15 114.38 115.22 1ddn h ARG 47 Ca 0.49 -0.26 -0.06 0.00 -0.81 0.00 0.00 59.98 59.35 1ddn h ARG 47 Cb 0.94 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.49 1ddn h ARG 47 CO -0.64 0.84 -0.11 0.52 -1.51 0.00 0.00 179.97 179.08 1ddn h MET 48 N 0.39 0.36 -0.11 0.20 2.86 0.17 0.62 114.93 119.41 1ddn h MET 48 Ca 0.03 -0.09 -0.04 0.00 -2.06 0.00 0.00 59.70 57.54 1ddn h MET 48 Cb 0.94 -0.05 -0.00 0.00 0.06 0.00 0.00 31.60 32.55 1ddn h MET 48 CO 0.08 0.47 -0.09 1.49 1.06 0.00 0.00 176.91 179.93 1ddn h GLU 49 N 0.34 0.25 -0.04 1.72 4.81 -0.08 0.48 114.58 122.07 1ddn h GLU 49 Ca 0.07 -0.13 0.04 0.00 -0.13 0.00 0.00 59.36 59.21 1ddn h GLU 49 Cb 0.40 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.73 1ddn h GLU 49 CO 0.02 0.64 -0.30 -0.09 -0.73 0.00 0.00 179.01 178.56 1ddn h ARG 50 N -0.13 -0.41 0.00 1.92 2.43 -0.62 0.92 114.38 118.49 1ddn h ARG 50 Ca 0.02 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.22 1ddn h ARG 50 Cb 0.58 0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.23 1ddn h ARG 50 CO 0.02 -0.27 0.00 -0.25 -1.51 0.00 0.00 179.97 177.96 1ddn n ASP 51 N -5.40 0.00 -3.07 -3.80 8.00 0.15 -4.81 116.55 107.63 1ddn n ASP 51 Ca -0.04 -0.58 -0.22 0.00 0.71 0.00 0.00 54.79 54.66 1ddn n ASP 51 Cb 0.31 0.00 0.05 0.00 -0.02 0.00 0.00 41.12 41.46 1ddn n ASP 51 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ddn n GLY 52 N -0.21 -0.45 0.10 0.44 0.00 0.32 -4.93 105.19 100.47 1ddn n GLY 52 Ca 0.02 0.13 -0.12 0.00 0.00 0.00 0.00 46.02 46.05 1ddn n GLY 52 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ddn n LEU 53 N -4.18 0.78 -3.79 0.99 4.77 0.17 -4.65 117.00 111.08 1ddn n LEU 53 Ca -0.06 0.04 -0.13 0.00 -0.03 0.00 0.00 56.01 55.83 1ddn n LEU 53 Cb 0.59 0.13 -0.12 0.00 -2.33 0.00 0.00 43.42 41.69 1ddn n LEU 53 CO 0.51 0.58 -0.11 0.68 -1.33 0.00 0.00 177.39 177.72 1ddn s VAL 54 N -2.51 0.00 -0.11 4.08 -7.23 -1.18 -1.34 120.40 112.11 1ddn s VAL 54 Ca -0.14 -0.02 -0.03 0.00 -1.81 0.00 0.00 61.98 59.98 1ddn s VAL 54 Cb 0.07 -0.33 -0.03 0.00 0.56 0.00 0.00 36.38 36.65 1ddn s VAL 54 CO 0.78 -0.01 0.01 -0.69 -0.31 0.00 0.00 175.10 174.88 1ddn s VAL 55 N 0.08 4.33 -0.84 1.32 1.01 0.12 -3.62 120.40 122.79 1ddn s VAL 55 Ca -0.00 -0.23 -0.18 0.00 0.00 0.00 0.00 61.98 61.57 1ddn s VAL 55 Cb -0.02 -2.85 0.14 0.00 0.00 0.00 0.00 36.38 33.65 1ddn s VAL 55 CO 0.00 0.57 0.98 -0.69 0.00 0.00 0.00 175.10 175.96 1ddn s VAL 56 N -0.49 4.88 0.88 2.92 1.01 -1.26 0.12 120.40 128.47 1ddn s VAL 56 Ca 0.09 -1.58 -0.12 0.00 0.00 0.00 0.00 61.98 60.37 1ddn s VAL 56 Cb -0.12 -4.67 0.09 0.00 0.00 0.00 0.00 36.38 31.68 1ddn s VAL 56 CO 0.02 -1.36 0.92 0.00 0.00 0.00 0.00 175.10 174.68 1ddn n ALA 57 N 6.10 -1.14 -0.33 5.51 0.00 0.31 -4.78 120.51 126.17 1ddn n ALA 57 Ca 0.15 -0.49 0.22 0.00 0.00 0.00 0.00 53.44 53.32 1ddn n ALA 57 Cb 0.47 -2.08 0.47 0.00 0.00 0.00 0.00 19.45 18.32 1ddn n ALA 57 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1ddn h SER 58 N -1.44 0.51 0.00 0.00 0.02 -1.96 0.77 113.55 111.45 1ddn h SER 58 Ca -0.44 0.10 0.00 0.00 -0.84 0.00 0.00 61.79 60.61 1ddn h SER 58 Cb 1.29 0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.85 1ddn h SER 58 CO 0.41 0.08 0.00 -0.90 -1.14 0.00 0.00 176.83 175.28 1ddn n ASP 59 N -4.71 0.00 0.00 3.07 5.68 -1.26 -4.74 116.55 114.59 1ddn n ASP 59 Ca 0.26 -0.59 0.00 0.00 -0.50 0.00 0.00 54.79 53.97 1ddn n ASP 59 Cb 0.85 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.83 1ddn n ASP 59 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1ddn n ARG 60 N -0.86 -0.04 -2.86 0.11 1.74 0.27 -5.02 116.66 110.00 1ddn n ARG 60 Ca 0.08 0.01 -0.33 0.00 -0.77 0.00 0.00 57.85 56.83 1ddn n ARG 60 Cb 0.04 -2.91 -0.07 0.00 -1.02 0.00 0.00 32.46 28.50 1ddn n ARG 60 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1ddn s SER 61 N -2.28 6.96 -0.02 0.55 1.04 -1.11 -4.64 113.70 114.19 1ddn s SER 61 Ca 0.00 1.65 -0.21 0.00 0.48 0.00 0.00 55.95 57.87 1ddn s SER 61 Cb 0.00 -2.52 -0.05 0.00 0.10 0.00 0.00 66.02 63.55 1ddn s SER 61 CO 0.00 -0.31 0.59 -0.76 0.98 0.00 0.00 173.24 173.75 1ddn s LEU 62 N -3.03 4.39 -0.20 2.42 2.01 -0.65 0.11 118.68 123.73 1ddn s LEU 62 Ca 0.60 1.12 -0.00 0.00 0.01 0.00 0.00 54.13 55.86 1ddn s LEU 62 Cb -0.10 -2.91 0.05 0.00 0.01 0.00 0.00 46.19 43.24 1ddn s LEU 62 CO 0.15 0.07 -0.04 -1.10 1.01 0.00 0.00 176.35 176.43 1ddn s GLN 63 N 0.02 1.43 0.06 1.70 -0.21 0.32 -4.83 119.66 118.15 1ddn s GLN 63 Ca 0.31 -0.71 -0.30 0.00 0.02 0.00 0.00 55.36 54.68 1ddn s GLN 63 Cb -0.18 -2.28 -0.09 0.00 1.00 0.00 0.00 33.01 31.46 1ddn s GLN 63 CO 0.16 -0.53 1.87 -1.64 -2.12 0.00 0.00 175.29 173.04 1ddn s MET 64 N 1.56 4.15 1.13 2.91 -1.94 -1.26 0.14 119.30 125.98 1ddn s MET 64 Ca -0.02 2.54 -0.14 0.00 -1.71 0.00 0.00 55.69 56.36 1ddn s MET 64 Cb -0.17 -3.93 0.25 0.00 2.01 0.00 0.00 34.83 32.99 1ddn s MET 64 CO -0.07 -0.89 1.06 0.95 -0.01 0.00 0.00 175.02 176.05 1ddn s THR 65 N 3.77 1.88 0.26 2.05 -4.23 -0.45 -4.57 115.64 114.35 1ddn s THR 65 Ca 0.84 0.00 -0.02 0.00 -1.18 0.00 0.00 61.69 61.33 1ddn s THR 65 Cb -0.42 -2.32 0.24 0.00 1.34 0.00 0.00 72.50 71.34 1ddn s THR 65 CO 0.38 0.00 1.80 1.55 -0.54 0.00 0.00 174.62 177.81 1ddn h PRO 66 N -2.40 0.75 -0.18 3.99 0.13 -1.91 -0.11 132.00 132.27 1ddn h PRO 66 Ca -0.55 -0.05 -0.08 0.00 -0.87 0.00 0.00 66.00 64.45 1ddn h PRO 66 Cb 1.33 -0.17 -0.00 0.00 0.13 0.00 0.00 31.00 32.29 1ddn h PRO 66 CO 0.50 0.50 -0.20 1.79 -0.23 0.00 0.00 178.00 180.35 1ddn h THR 67 N 0.77 1.34 -0.49 1.56 1.35 -1.89 -2.27 112.91 113.29 1ddn h THR 67 Ca 0.45 -1.38 0.10 0.00 -0.55 0.00 0.00 66.41 65.03 1ddn h THR 67 Cb 0.51 1.82 -0.10 0.00 -1.73 0.00 0.00 68.15 68.66 1ddn h THR 67 CO -0.30 0.42 -0.14 1.23 -0.25 0.00 0.00 175.52 176.48 1ddn h GLY 68 N 0.12 0.31 0.75 5.82 0.00 -1.33 -0.73 103.07 108.00 1ddn h GLY 68 Ca 0.03 0.19 0.03 0.00 0.00 0.00 0.00 47.33 47.58 1ddn h GLY 68 CO 0.05 -0.20 0.10 -0.09 0.00 0.00 0.00 176.54 176.40 1ddn h ARG 69 N -0.03 0.22 -0.70 4.80 2.43 -0.99 -1.31 114.38 118.80 1ddn h ARG 69 Ca 0.24 -0.01 0.15 0.00 -0.81 0.00 0.00 59.98 59.54 1ddn h ARG 69 Cb 0.39 -0.05 -0.12 0.00 -0.42 0.00 0.00 29.97 29.77 1ddn h ARG 69 CO -0.52 0.15 -0.01 1.15 -1.51 0.00 0.00 179.97 179.23 1ddn h THR 70 N 0.23 0.40 0.77 0.20 2.02 -0.55 0.15 112.91 116.13 1ddn h THR 70 Ca 0.13 -0.04 -0.04 0.00 0.77 0.00 0.00 66.41 67.24 1ddn h THR 70 Cb 0.10 0.29 0.01 0.00 -1.74 0.00 0.00 68.15 66.81 1ddn h THR 70 CO -0.14 0.02 -0.37 -0.07 0.37 0.00 0.00 175.52 175.33 1ddn h LEU 71 N 0.10 -0.88 -0.83 2.58 3.38 -0.80 -1.90 115.31 116.96 1ddn h LEU 71 Ca 0.37 0.03 0.14 0.00 0.09 0.00 0.00 57.88 58.51 1ddn h LEU 71 Cb 0.63 0.23 -0.14 0.00 0.09 0.00 0.00 40.66 41.46 1ddn h LEU 71 CO -0.61 -0.60 -0.29 0.00 0.09 0.00 0.00 178.44 177.03 1ddn n ALA 72 N -2.56 -0.01 -0.24 1.53 0.00 -0.45 0.17 120.51 118.96 1ddn n ALA 72 Ca -0.13 0.86 -0.04 0.00 0.00 0.00 0.00 53.44 54.13 1ddn n ALA 72 Cb 0.41 -0.42 0.14 0.00 0.00 0.00 0.00 19.45 19.57 1ddn n ALA 72 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1ddn h THR 73 N 0.00 1.24 0.12 0.00 1.35 -0.68 -1.90 112.91 113.05 1ddn h THR 73 Ca 0.32 -0.72 -0.01 0.00 -0.55 0.00 0.00 66.41 65.46 1ddn h THR 73 Cb 0.53 0.34 0.00 0.00 -1.73 0.00 0.00 68.15 67.29 1ddn h THR 73 CO -0.84 0.30 -0.06 0.00 -0.25 0.00 0.00 175.52 174.67 1ddn h ALA 74 N 1.30 -0.17 -0.17 6.62 0.00 0.25 0.44 119.26 127.54 1ddn h ALA 74 Ca 0.25 -0.10 0.04 0.00 0.00 0.00 0.00 54.91 55.10 1ddn h ALA 74 Cb 0.16 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 1ddn h ALA 74 CO -0.03 -0.52 -0.10 0.28 0.00 0.00 0.00 179.25 178.88 1ddn h VAL 75 N -0.31 0.68 -0.38 0.00 2.07 -1.00 -0.52 116.25 116.79 1ddn h VAL 75 Ca -0.02 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.58 1ddn h VAL 75 Cb 0.25 0.68 -0.07 0.00 -1.52 0.00 0.00 31.29 30.64 1ddn h VAL 75 CO 0.03 0.00 -0.03 0.24 0.02 0.00 0.00 177.57 177.82 1ddn h MET 76 N -0.10 0.06 -0.31 1.57 2.86 -1.22 0.49 114.93 118.29 1ddn h MET 76 Ca 0.10 -0.00 0.06 0.00 -2.06 0.00 0.00 59.70 57.80 1ddn h MET 76 Cb 0.25 -0.01 -0.08 0.00 0.06 0.00 0.00 31.60 31.81 1ddn h MET 76 CO -0.23 0.04 -0.39 -0.09 1.06 0.00 0.00 176.91 177.30 1ddn h ARG 77 N 0.06 -0.34 -0.45 1.72 2.43 0.08 0.28 114.38 118.16 1ddn h ARG 77 Ca 0.19 0.02 -0.09 0.00 -0.81 0.00 0.00 59.98 59.29 1ddn h ARG 77 Cb 0.27 0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.88 1ddn h ARG 77 CO -0.34 -0.23 -0.09 0.87 -1.51 0.00 0.00 179.97 178.67 1ddn h LYS 78 N -0.36 0.80 -0.30 0.20 1.57 -0.47 -1.29 116.57 116.73 1ddn h LYS 78 Ca 0.13 -0.26 0.04 0.00 -1.87 0.00 0.00 60.65 58.69 1ddn h LYS 78 Cb 0.58 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.78 1ddn h LYS 78 CO -0.50 0.86 0.09 1.25 -0.57 0.00 0.00 179.45 180.58 1ddn h HIS 79 N 0.73 0.16 -0.38 -1.35 2.76 0.11 0.25 115.15 117.44 1ddn h HIS 79 Ca 0.13 0.02 -0.07 0.00 -2.20 0.00 0.00 60.37 58.25 1ddn h HIS 79 Cb 0.57 -0.03 -0.01 0.00 1.55 0.00 0.00 27.41 29.48 1ddn h HIS 79 CO 0.03 0.06 -0.02 0.00 -1.30 0.00 0.00 177.93 176.70 1ddn h ARG 80 N 0.22 0.68 -0.65 5.26 3.08 -0.84 -1.54 114.38 120.59 1ddn h ARG 80 Ca 0.13 -0.23 0.05 0.00 0.07 0.00 0.00 59.98 60.00 1ddn h ARG 80 Cb 0.12 -0.06 -0.05 0.00 0.08 0.00 0.00 29.97 30.06 1ddn h ARG 80 CO -0.15 0.80 0.38 1.25 -1.07 0.00 0.00 179.97 181.18 1ddn h LEU 81 N 0.50 0.59 0.39 3.04 5.85 -0.79 -1.87 115.31 123.02 1ddn h LEU 81 Ca 0.10 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.82 1ddn h LEU 81 Cb 0.51 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.44 1ddn h LEU 81 CO 0.02 0.40 -0.19 0.00 -0.34 0.00 0.00 178.44 178.33 1ddn h ALA 82 N 1.32 -0.53 -1.04 1.25 0.00 -0.37 -0.92 119.26 118.98 1ddn h ALA 82 Ca 0.28 -0.16 0.30 0.00 0.00 0.00 0.00 54.91 55.33 1ddn h ALA 82 Cb 0.12 0.20 -0.13 0.00 0.00 0.00 0.00 17.79 17.98 1ddn h ALA 82 CO -0.15 -0.71 0.62 0.93 0.00 0.00 0.00 179.25 179.94 1ddn h GLU 83 N -0.71 0.37 0.41 0.00 5.08 -0.97 0.15 114.58 118.90 1ddn h GLU 83 Ca -0.05 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.26 1ddn h GLU 83 Cb 0.50 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.67 1ddn h GLU 83 CO 0.09 0.24 -0.20 0.00 -1.00 0.00 0.00 179.01 178.15 1ddn h ARG 84 N 0.38 -0.53 -0.88 2.33 3.08 -1.06 -1.97 114.38 115.72 1ddn h ARG 84 Ca 0.70 0.04 0.24 0.00 0.07 0.00 0.00 59.98 61.02 1ddn h ARG 84 Cb 1.62 0.12 -0.15 0.00 0.08 0.00 0.00 29.97 31.64 1ddn h ARG 84 CO -0.51 -0.35 0.15 1.25 -1.07 0.00 0.00 179.97 179.44 1ddn h LEU 85 N -1.01 -0.17 0.73 3.04 5.85 -0.12 0.38 115.31 124.01 1ddn h LEU 85 Ca -0.06 0.22 -0.04 0.00 0.84 0.00 0.00 57.88 58.85 1ddn h LEU 85 Cb 0.42 0.33 0.01 0.00 0.37 0.00 0.00 40.66 41.79 1ddn h LEU 85 CO 0.09 -0.21 -0.35 -0.07 -0.34 0.00 0.00 178.44 177.56 1ddn h LEU 86 N 0.14 -0.83 0.40 2.25 3.38 -0.79 -1.34 115.31 118.52 1ddn h LEU 86 Ca 0.54 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.54 1ddn h LEU 86 Cb 1.10 0.21 -0.03 0.00 0.09 0.00 0.00 40.66 42.04 1ddn h LEU 86 CO -0.72 -0.58 -0.44 0.74 0.09 0.00 0.00 178.44 177.53 1ddn h THR 87 N -1.00 0.13 0.00 0.22 2.02 -0.43 0.86 112.91 114.71 1ddn h THR 87 Ca -0.10 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.08 1ddn h THR 87 Cb 0.75 0.13 0.00 0.00 -1.74 0.00 0.00 68.15 67.29 1ddn h THR 87 CO 0.16 0.00 0.00 0.47 0.37 0.00 0.00 175.52 176.52 1ddn n ASP 88 N -5.52 0.00 0.03 4.18 9.92 0.12 -3.15 116.55 122.14 1ddn n ASP 88 Ca -0.11 0.84 -0.01 0.00 -0.53 0.00 0.00 54.79 54.98 1ddn n ASP 88 Cb 0.42 -0.37 -0.01 0.00 -0.64 0.00 0.00 41.12 40.52 1ddn n ASP 88 CO 0.00 0.00 0.00 0.40 0.13 0.00 0.00 177.20 177.73 1ddn h ILE 89 N 0.00 0.00 -0.64 0.53 2.04 -1.60 -3.34 117.51 114.50 1ddn h ILE 89 Ca 0.00 -0.23 0.18 0.00 1.00 0.00 0.00 64.86 65.82 1ddn h ILE 89 Cb 0.00 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.05 1ddn h ILE 89 CO 0.00 0.00 0.50 0.40 0.00 0.00 0.00 178.15 179.05 1ddn h ILE 90 N -0.32 0.56 -1.23 -0.67 1.08 -0.87 -3.46 117.51 112.60 1ddn h ILE 90 Ca -0.01 0.00 -0.27 0.00 -0.39 0.00 0.00 64.86 64.19 1ddn h ILE 90 Cb 0.07 0.64 -0.06 0.00 -3.07 0.00 0.00 36.82 34.39 1ddn h ILE 90 CO 0.02 0.00 -0.29 0.61 -0.69 0.00 0.00 178.15 177.79 1ddn n GLY 91 N -1.63 0.68 3.76 5.37 0.00 0.30 -4.97 105.19 108.70 1ddn n GLY 91 Ca 0.12 -0.36 -0.35 0.00 0.00 0.00 0.00 46.02 45.43 1ddn n GLY 91 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1ddn s LEU 92 N -3.43 3.66 -0.18 0.99 2.96 -0.99 -4.89 118.68 116.81 1ddn s LEU 92 Ca 0.00 2.26 -0.34 0.00 -0.22 0.00 0.00 54.13 55.83 1ddn s LEU 92 Cb 0.00 -4.59 -0.11 0.00 0.50 0.00 0.00 46.19 41.99 1ddn s LEU 92 CO 0.00 -1.46 1.99 -0.67 -1.32 0.00 0.00 176.35 174.89 1ddn n ASP 93 N -1.58 3.06 -0.46 3.68 2.03 -1.26 -4.57 116.55 117.44 1ddn n ASP 93 Ca 0.12 0.75 0.38 0.00 0.52 0.00 0.00 54.79 56.56 1ddn n ASP 93 Cb 0.50 -1.36 0.68 0.00 -0.72 0.00 0.00 41.12 40.23 1ddn n ASP 93 CO 0.00 0.00 0.00 -0.29 -1.92 0.00 0.00 177.20 174.99 1ddn h ILE 94 N 6.06 0.19 0.00 5.18 -0.00 -1.96 0.27 117.51 127.24 1ddn h ILE 94 Ca -0.43 -0.03 -0.05 0.00 -0.00 0.00 0.00 64.86 64.35 1ddn h ILE 94 Cb 1.28 0.08 -0.01 0.00 -0.00 0.00 0.00 36.82 38.18 1ddn h ILE 94 CO 0.97 0.02 -0.24 0.78 -0.00 0.00 0.00 178.15 179.67 1ddn h ASN 95 N 0.10 0.00 -0.09 2.19 2.35 -2.03 -2.83 115.58 115.27 1ddn h ASN 95 Ca 0.78 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.53 1ddn h ASN 95 Cb 2.62 0.00 0.00 0.00 0.05 0.00 0.00 38.32 40.99 1ddn h ASN 95 CO -0.28 0.24 0.00 0.29 -1.65 0.00 0.00 177.43 176.04 1ddn n LYS 96 N -4.14 1.84 0.12 0.81 5.02 0.92 -4.54 118.16 118.20 1ddn n LYS 96 Ca -0.02 -1.76 0.01 0.00 -2.02 0.00 0.00 58.31 54.52 1ddn n LYS 96 Cb 0.30 -1.39 0.33 0.00 -0.02 0.00 0.00 35.03 34.26 1ddn n LYS 96 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1ddn h VAL 97 N 3.82 1.24 0.00 -0.18 2.07 -1.21 -2.97 116.25 119.02 1ddn h VAL 97 Ca 0.00 -1.11 -0.00 0.00 0.82 0.00 0.00 66.70 66.41 1ddn h VAL 97 Cb 0.83 1.45 0.00 0.00 -1.52 0.00 0.00 31.29 32.05 1ddn h VAL 97 CO 0.00 0.33 -0.00 -0.74 0.02 0.00 0.00 177.57 177.18 1ddn h HIS 98 N 0.17 -0.00 0.00 1.57 -0.00 -1.80 -2.30 115.15 112.80 1ddn h HIS 98 Ca 0.03 -0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.40 1ddn h HIS 98 Cb 0.57 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.98 1ddn h HIS 98 CO 0.01 0.47 0.00 -0.44 -0.00 0.00 0.00 177.93 177.97 1ddn h ASP 99 N -0.48 0.00 0.07 3.26 5.19 -1.85 0.48 116.42 123.08 1ddn h ASP 99 Ca -0.00 0.00 -0.26 0.00 -0.62 0.00 0.00 57.03 56.15 1ddn h ASP 99 Cb 0.48 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.97 1ddn h ASP 99 CO 0.00 0.00 -1.39 -0.33 -3.12 0.00 0.00 179.24 174.40 1ddn h GLU 100 N 0.00 0.14 -0.44 3.56 4.39 -1.51 -3.32 114.58 117.40 1ddn h GLU 100 Ca 0.00 -0.24 0.01 0.00 0.34 0.00 0.00 59.36 59.47 1ddn h GLU 100 Cb 0.07 0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 28.78 1ddn h GLU 100 CO 0.00 1.11 0.29 0.00 -1.16 0.00 0.00 179.01 179.25 1ddn h ALA 101 N -0.19 1.71 -0.43 3.43 0.00 -0.75 0.91 119.26 123.94 1ddn h ALA 101 Ca -0.33 -0.03 0.09 0.00 0.00 0.00 0.00 54.91 54.65 1ddn h ALA 101 Cb 1.60 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 19.19 1ddn h ALA 101 CO -0.04 0.27 0.30 0.22 0.00 0.00 0.00 179.25 179.99 1ddn h ASP 102 N 0.57 0.14 0.03 0.00 1.82 -0.18 -0.71 116.42 118.09 1ddn h ASP 102 Ca 0.16 0.00 -0.30 0.00 -0.39 0.00 0.00 57.03 56.51 1ddn h ASP 102 Cb -0.04 -0.03 -0.04 0.00 0.68 0.00 0.00 39.33 39.91 1ddn h ASP 102 CO -0.04 0.09 -1.65 0.54 -1.61 0.00 0.00 179.24 176.57 1ddn n ARG 103 N -4.45 0.61 0.02 0.28 1.74 0.09 -4.33 116.66 110.63 1ddn n ARG 103 Ca 0.07 0.45 0.07 0.00 -0.77 0.00 0.00 57.85 57.66 1ddn n ARG 103 Cb 0.39 -1.70 0.48 0.00 -1.02 0.00 0.00 32.46 30.62 1ddn n ARG 103 CO 0.00 0.00 0.00 -1.49 -1.52 0.00 0.00 177.63 174.62 1ddn h TRP 104 N -0.73 0.40 -0.97 -1.55 4.06 -0.76 -2.87 115.95 113.55 1ddn h TRP 104 Ca -0.42 0.01 0.23 0.00 2.06 0.00 0.00 58.89 60.76 1ddn h TRP 104 Cb 1.53 -0.14 -0.08 0.00 -1.00 0.00 0.00 29.16 29.48 1ddn h TRP 104 CO 0.07 0.24 0.63 1.05 -3.56 0.00 0.00 178.44 176.86 1ddn h GLU 105 N 0.42 0.41 0.00 0.49 4.11 -1.32 0.74 114.58 119.43 1ddn h GLU 105 Ca 0.16 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.56 1ddn h GLU 105 Cb 0.12 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.27 1ddn h GLU 105 CO -0.04 0.27 -0.35 0.45 0.07 0.00 0.00 179.01 179.41 1ddn h HIS 106 N 0.42 0.00 0.00 2.06 3.86 -1.76 -3.32 115.15 116.41 1ddn h HIS 106 Ca 0.52 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.73 1ddn h HIS 106 Cb 1.29 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.76 1ddn h HIS 106 CO -0.00 0.00 -1.07 1.55 0.86 0.00 0.00 177.93 179.27 1ddn n VAL 107 N -2.59 0.00 -2.78 2.45 3.14 0.10 -4.95 118.33 113.70 1ddn n VAL 107 Ca 0.03 -0.13 -0.41 0.00 -2.96 0.00 0.00 64.34 60.88 1ddn n VAL 107 Cb 0.49 0.83 -0.04 0.00 -1.06 0.00 0.00 33.84 34.05 1ddn n VAL 107 CO 0.00 0.00 0.00 -0.32 -6.46 0.00 0.00 176.83 170.05 1ddn s MET 108 N -2.88 4.64 0.70 1.45 0.00 -0.33 -5.06 119.30 117.83 1ddn s MET 108 Ca 0.04 1.36 -0.09 0.00 0.00 0.00 0.00 55.69 57.01 1ddn s MET 108 Cb 0.14 -3.39 0.05 0.00 0.00 0.00 0.00 34.83 31.63 1ddn s MET 108 CO 0.78 0.19 1.04 -1.54 0.00 0.00 0.00 175.02 175.49 1ddn s SER 109 N 0.14 5.03 0.14 1.11 1.04 -1.26 -4.93 113.70 114.97 1ddn s SER 109 Ca 0.46 0.70 -0.10 0.00 0.48 0.00 0.00 55.95 57.49 1ddn s SER 109 Cb -0.22 -1.42 -0.04 0.00 0.10 0.00 0.00 66.02 64.43 1ddn s SER 109 CO 0.28 -1.51 1.44 0.44 0.98 0.00 0.00 173.24 174.88 1ddn h ASP 110 N -0.62 0.94 -0.09 7.02 3.32 -1.97 0.28 116.42 125.30 1ddn h ASP 110 Ca -0.45 -0.48 0.04 0.00 0.02 0.00 0.00 57.03 56.16 1ddn h ASP 110 Cb 1.30 -0.27 -0.06 0.00 0.22 0.00 0.00 39.33 40.52 1ddn h ASP 110 CO 0.62 1.27 -0.28 -0.08 -1.72 0.00 0.00 179.24 179.05 1ddn h GLU 111 N 0.68 -0.36 -0.01 3.56 4.22 -1.99 0.93 114.58 121.61 1ddn h GLU 111 Ca 0.03 0.02 -0.05 0.00 0.08 0.00 0.00 59.36 59.44 1ddn h GLU 111 Cb 1.09 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.41 1ddn h GLU 111 CO 0.11 -0.24 -0.25 0.28 -2.18 0.00 0.00 179.01 176.73 1ddn h VAL 112 N -0.37 1.18 0.20 0.32 2.07 -1.93 0.27 116.25 117.99 1ddn h VAL 112 Ca 0.09 -0.87 -0.01 0.00 0.82 0.00 0.00 66.70 66.72 1ddn h VAL 112 Cb 0.50 1.46 0.00 0.00 -1.52 0.00 0.00 31.29 31.74 1ddn h VAL 112 CO -0.30 0.25 -0.10 -0.08 0.02 0.00 0.00 177.57 177.36 1ddn h GLU 113 N 0.01 -0.26 -1.02 1.57 4.81 0.16 0.21 114.58 120.07 1ddn h GLU 113 Ca -0.00 0.02 0.24 0.00 -0.13 0.00 0.00 59.36 59.49 1ddn h GLU 113 Cb 0.45 0.06 -0.11 0.00 0.63 0.00 0.00 28.75 29.78 1ddn h GLU 113 CO 0.03 -0.18 0.62 0.00 -0.73 0.00 0.00 179.01 178.76 1ddn h ARG 114 N -0.31 0.53 -0.01 1.92 2.47 0.79 0.10 114.38 119.87 1ddn h ARG 114 Ca -0.03 -0.03 -0.00 0.00 -1.26 0.00 0.00 59.98 58.66 1ddn h ARG 114 Cb 0.21 -0.12 -0.00 0.00 -1.65 0.00 0.00 29.97 28.41 1ddn h ARG 114 CO 0.05 0.35 0.00 -0.09 0.56 0.00 0.00 179.97 180.84 1ddn h ARG 115 N 0.55 0.02 -0.08 0.04 9.65 -0.89 -3.05 114.38 120.62 1ddn h ARG 115 Ca 0.62 -0.01 -0.04 0.00 -1.10 0.00 0.00 59.98 59.45 1ddn h ARG 115 Cb 1.27 -0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.84 1ddn h ARG 115 CO -0.40 0.31 -0.12 1.25 2.80 0.00 0.00 179.97 183.81 1ddn h LEU 116 N -0.26 0.11 -1.48 3.80 5.85 0.15 -2.07 115.31 121.41 1ddn h LEU 116 Ca 0.00 -0.02 0.15 0.00 0.84 0.00 0.00 57.88 58.85 1ddn h LEU 116 Cb 0.30 -0.03 -0.06 0.00 0.37 0.00 0.00 40.66 41.24 1ddn h LEU 116 CO 0.00 0.26 0.53 1.62 -0.34 0.00 0.00 178.44 180.51 1ddn h VAL 117 N 0.12 0.81 0.00 1.05 3.04 -0.79 -1.04 116.25 119.44 1ddn h VAL 117 Ca 0.03 -0.17 0.00 0.00 -1.01 0.00 0.00 66.70 65.54 1ddn h VAL 117 Cb 0.30 0.25 0.00 0.00 -2.01 0.00 0.00 31.29 29.83 1ddn h VAL 117 CO 0.02 0.09 0.00 0.29 -1.01 0.00 0.00 177.57 176.96 1ddn n LYS 118 N -4.50 0.00 -0.13 4.17 5.02 -0.81 -4.48 118.16 117.43 1ddn n LYS 118 Ca 0.15 0.00 0.02 0.00 -2.02 0.00 0.00 58.31 56.46 1ddn n LYS 118 Cb 0.51 -0.19 0.04 0.00 -0.02 0.00 0.00 35.03 35.38 1ddn n LYS 118 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1ddn n VAL 119 N -0.40 -0.16 0.24 -0.18 0.31 -1.04 -5.14 118.33 111.96 1ddn n VAL 119 Ca 0.00 0.83 0.02 0.00 -0.01 0.00 0.00 64.34 65.18 1ddn n VAL 119 Cb 0.00 -1.14 0.12 0.00 -0.91 0.00 0.00 33.84 31.91 1ddn n VAL 119 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40