#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dmf n SER 2 N 0.00 -5.05 -2.97 1.61 2.88 -1.26 -1.40 113.62 107.43 2dmf n SER 2 Ca 0.00 -0.68 -0.20 0.00 -1.33 0.00 0.00 58.87 56.66 2dmf n SER 2 Cb 0.00 -4.41 0.06 0.00 -0.75 0.00 0.00 64.21 59.10 2dmf n SER 2 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2dmf n SER 3 N -2.94 -5.69 -3.30 -3.46 2.88 -1.26 -3.41 113.62 96.45 2dmf n SER 3 Ca -0.01 -0.38 -0.13 0.00 -1.33 0.00 0.00 58.87 57.01 2dmf n SER 3 Cb 0.56 -4.39 0.03 0.00 -0.75 0.00 0.00 64.21 59.66 2dmf n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dmf n GLY 4 N -1.67 -1.18 3.76 0.46 0.00 -0.50 -4.91 105.19 101.16 2dmf n GLY 4 Ca -0.03 0.52 -0.41 0.00 0.00 0.00 0.00 46.02 46.10 2dmf n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dmf s SER 5 N -3.22 6.74 0.31 1.61 0.15 -1.11 -4.95 113.70 113.24 2dmf s SER 5 Ca 0.25 2.65 -0.29 0.00 0.70 0.00 0.00 55.95 59.27 2dmf s SER 5 Cb -0.05 -2.64 -0.11 0.00 -1.71 0.00 0.00 66.02 61.52 2dmf s SER 5 CO 0.78 -0.59 1.43 -0.44 1.20 0.00 0.00 173.24 175.62 2dmf s SER 6 N -0.13 6.57 0.00 5.45 0.01 -1.26 -4.91 113.70 119.43 2dmf s SER 6 Ca 0.53 2.81 0.00 0.00 1.31 0.00 0.00 55.95 60.60 2dmf s SER 6 Cb -0.40 -2.64 0.00 0.00 0.21 0.00 0.00 66.02 63.18 2dmf s SER 6 CO 0.48 -0.72 0.00 0.61 0.41 0.00 0.00 173.24 174.02 2dmf n GLY 7 N 1.29 0.00 3.19 3.44 0.00 -1.26 -5.13 105.19 106.71 2dmf n GLY 7 Ca 0.03 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.94 2dmf n GLY 7 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2dmf s GLU 8 N -1.97 1.08 0.57 1.61 0.41 -1.26 -5.03 118.70 114.11 2dmf s GLU 8 Ca 0.00 -1.52 0.26 0.00 -0.41 0.00 0.00 54.97 53.30 2dmf s GLU 8 Cb 0.00 0.26 1.66 0.00 -1.78 0.00 0.00 34.13 34.28 2dmf s GLU 8 CO 0.00 -0.34 2.21 0.93 -0.49 0.00 0.00 175.26 177.57 2dmf h GLU 9 N 2.73 0.00 -5.86 1.61 3.07 -2.04 -3.45 114.58 110.63 2dmf h GLU 9 Ca -0.35 0.00 -0.44 0.00 -0.50 0.00 0.00 59.36 58.07 2dmf h GLU 9 Cb 1.23 0.00 -0.08 0.00 -0.84 0.00 0.00 28.75 29.05 2dmf h GLU 9 CO 0.55 0.00 -0.67 -3.47 -1.40 0.00 0.00 179.01 174.03 2dmf n ASP 10 N -4.02 -4.16 -4.70 1.42 2.03 -1.26 -4.90 116.55 100.95 2dmf n ASP 10 Ca -0.02 -0.60 -0.41 0.00 0.52 0.00 0.00 54.79 54.27 2dmf n ASP 10 Cb 0.12 -3.39 -0.04 0.00 -0.72 0.00 0.00 41.12 37.09 2dmf n ASP 10 CO 0.00 0.00 0.00 0.86 -1.92 0.00 0.00 177.20 176.14 2dmf s TRP 11 N -3.11 3.54 -0.17 -0.67 -0.00 -1.26 -4.93 118.94 112.33 2dmf s TRP 11 Ca 0.53 1.46 0.22 0.00 -0.00 0.00 0.00 56.10 58.31 2dmf s TRP 11 Cb -0.28 -3.04 -0.16 0.00 -0.00 0.00 0.00 33.47 29.99 2dmf s TRP 11 CO 0.66 -0.10 0.77 1.33 -0.00 0.00 0.00 176.95 179.61 2dmf n VAL 12 N 4.25 0.28 -0.18 5.86 0.24 -1.26 -4.22 118.33 123.29 2dmf n VAL 12 Ca 0.05 -0.50 -0.02 0.00 -2.04 0.00 0.00 64.34 61.83 2dmf n VAL 12 Cb 0.50 -0.12 0.04 0.00 -1.47 0.00 0.00 33.84 32.79 2dmf n VAL 12 CO 0.00 0.00 0.00 0.25 -2.14 0.00 0.00 176.83 174.94 2dmf h LEU 13 N 0.00 -0.64 -0.22 1.34 6.46 -1.91 -1.95 115.31 118.38 2dmf h LEU 13 Ca 0.00 0.18 -0.09 0.00 -0.12 0.00 0.00 57.88 57.85 2dmf h LEU 13 Cb 0.97 0.39 -0.00 0.00 -0.73 0.00 0.00 40.66 41.29 2dmf h LEU 13 CO 0.00 -0.22 -0.21 1.55 -0.62 0.00 0.00 178.44 178.94 2dmf h PRO 14 N -0.04 0.53 -0.95 5.25 0.13 -2.00 -3.12 132.00 131.79 2dmf h PRO 14 Ca 0.27 -0.27 0.27 0.00 -0.87 0.00 0.00 66.00 65.39 2dmf h PRO 14 Cb 0.45 0.01 -0.14 0.00 0.13 0.00 0.00 31.00 31.45 2dmf h PRO 14 CO -0.60 0.86 0.43 0.77 -0.23 0.00 0.00 178.00 179.23 2dmf h SER 15 N 0.21 0.32 0.22 1.44 0.02 -1.55 0.71 113.55 114.92 2dmf h SER 15 Ca 0.04 0.19 -0.14 0.00 -0.84 0.00 0.00 61.79 61.03 2dmf h SER 15 Cb 0.76 0.18 -0.01 0.00 0.14 0.00 0.00 62.40 63.46 2dmf h SER 15 CO 0.05 -0.11 -0.54 -0.08 -1.14 0.00 0.00 176.83 175.01 2dmf h GLU 16 N 0.31 0.35 -0.10 3.45 4.57 -1.41 -3.21 114.58 118.54 2dmf h GLU 16 Ca 0.64 -0.22 0.00 0.00 -1.18 0.00 0.00 59.36 58.61 2dmf h GLU 16 Cb 1.37 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.97 2dmf h GLU 16 CO -0.61 0.81 0.07 0.28 -1.18 0.00 0.00 179.01 178.38 2dmf h VAL 17 N 0.27 1.03 -0.76 0.32 2.07 0.45 -0.81 116.25 118.82 2dmf h VAL 17 Ca 0.00 -0.06 0.17 0.00 0.82 0.00 0.00 66.70 67.64 2dmf h VAL 17 Cb 1.04 0.88 -0.11 0.00 -1.52 0.00 0.00 31.29 31.58 2dmf h VAL 17 CO 0.09 0.03 0.21 -0.33 0.02 0.00 0.00 177.57 177.59 2dmf h GLU 18 N 0.14 0.29 -0.26 1.57 4.39 -1.33 0.33 114.58 119.71 2dmf h GLU 18 Ca 0.04 -0.02 -0.09 0.00 0.34 0.00 0.00 59.36 59.63 2dmf h GLU 18 Cb -0.01 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.57 2dmf h GLU 18 CO -0.01 0.19 -0.19 0.28 -1.16 0.00 0.00 179.01 178.12 2dmf h VAL 19 N 0.29 1.31 0.98 3.13 2.07 -1.54 -3.23 116.25 119.26 2dmf h VAL 19 Ca 0.43 -1.33 -0.05 0.00 0.82 0.00 0.00 66.70 66.58 2dmf h VAL 19 Cb 0.75 1.61 0.01 0.00 -1.52 0.00 0.00 31.29 32.13 2dmf h VAL 19 CO -0.51 0.42 -0.47 -0.07 0.02 0.00 0.00 177.57 176.96 2dmf h LEU 20 N 0.30 -1.11 -0.95 2.57 3.38 0.31 -2.10 115.31 117.70 2dmf h LEU 20 Ca 0.05 0.04 0.19 0.00 0.09 0.00 0.00 57.88 58.25 2dmf h LEU 20 Cb 0.73 0.29 -0.03 0.00 0.09 0.00 0.00 40.66 41.74 2dmf h LEU 20 CO 0.05 -0.78 1.04 -0.33 0.09 0.00 0.00 178.44 178.50 2dmf h GLU 21 N -1.33 0.00 0.21 1.13 3.07 -0.50 1.56 114.58 118.72 2dmf h GLU 21 Ca -0.13 0.00 -0.31 0.00 -0.50 0.00 0.00 59.36 58.41 2dmf h GLU 21 Cb 1.00 0.00 0.02 0.00 -0.84 0.00 0.00 28.75 28.94 2dmf h GLU 21 CO 0.22 0.00 -1.45 0.77 -1.40 0.00 0.00 179.01 177.15 2dmf h SER 22 N 0.00 0.69 0.00 1.42 0.02 -1.40 -2.47 113.55 111.80 2dmf h SER 22 Ca 0.32 -0.92 -0.10 0.00 -0.84 0.00 0.00 61.79 60.24 2dmf h SER 22 Cb 2.39 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 64.69 2dmf h SER 22 CO -0.00 1.68 -0.68 0.40 -1.14 0.00 0.00 176.83 177.08 2dmf h ILE 23 N 0.01 0.70 -0.79 3.27 2.04 0.22 -3.37 117.51 119.59 2dmf h ILE 23 Ca -0.27 -1.74 -0.42 0.00 1.00 0.00 0.00 64.86 63.43 2dmf h ILE 23 Cb 2.03 1.54 -0.24 0.00 -0.74 0.00 0.00 36.82 39.41 2dmf h ILE 23 CO 0.21 0.24 0.53 -1.22 0.00 0.00 0.00 178.15 177.91 2dmf n TYR 24 N -4.56 2.44 -0.24 1.37 4.01 0.25 -4.71 117.16 115.72 2dmf n TYR 24 Ca -0.18 -1.65 -0.00 0.00 -0.16 0.00 0.00 57.90 55.91 2dmf n TYR 24 Cb 0.45 -0.84 0.03 0.00 -0.31 0.00 0.00 39.34 38.67 2dmf n TYR 24 CO 0.00 0.00 0.00 1.47 -0.46 0.00 0.00 176.86 177.87 2dmf n LEU 25 N -0.77 -0.39 -0.12 7.72 -0.00 -0.93 0.18 117.00 122.69 2dmf n LEU 25 Ca 0.47 1.10 -0.19 0.00 -0.00 0.00 0.00 56.01 57.39 2dmf n LEU 25 Cb 1.37 -0.26 -0.11 0.00 -0.00 0.00 0.00 43.42 44.42 2dmf n LEU 25 CO 0.49 -1.00 -1.32 -0.67 -0.00 0.00 0.00 177.39 174.90 2dmf n ASP 26 N -4.94 2.05 0.31 1.45 2.03 -1.26 -4.33 116.55 111.85 2dmf n ASP 26 Ca 0.07 -0.03 0.11 0.00 0.52 0.00 0.00 54.79 55.46 2dmf n ASP 26 Cb 0.26 -0.47 0.57 0.00 -0.72 0.00 0.00 41.12 40.76 2dmf n ASP 26 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 2dmf h GLU 27 N -0.22 0.00 -3.83 -0.67 5.08 -1.73 -3.40 114.58 109.81 2dmf h GLU 27 Ca -0.57 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 57.67 2dmf h GLU 27 Cb 1.78 0.00 -0.17 0.00 0.50 0.00 0.00 28.75 30.86 2dmf h GLU 27 CO -0.16 0.00 -0.52 -1.17 -1.00 0.00 0.00 179.01 176.16 2dmf s LEU 28 N -5.36 1.82 0.06 1.33 0.20 0.13 -3.33 118.68 113.53 2dmf s LEU 28 Ca -0.02 -0.57 0.05 0.00 0.69 0.00 0.00 54.13 54.28 2dmf s LEU 28 Cb 0.06 0.60 -0.03 0.00 -0.43 0.00 0.00 46.19 46.40 2dmf s LEU 28 CO 0.19 -0.53 -0.15 -1.10 -0.29 0.00 0.00 176.35 174.47 2dmf s GLN 29 N -2.75 0.95 -0.18 1.98 -1.52 -0.48 -4.58 119.66 113.09 2dmf s GLN 29 Ca -0.04 -0.87 0.00 0.00 -1.95 0.00 0.00 55.36 52.50 2dmf s GLN 29 Cb -0.00 -1.00 0.04 0.00 -0.22 0.00 0.00 33.01 31.83 2dmf s GLN 29 CO -0.05 0.24 -0.09 0.08 -0.25 0.00 0.00 175.29 175.22 2dmf s VAL 30 N -1.01 1.43 -0.55 1.09 1.01 -1.26 -1.96 120.40 119.16 2dmf s VAL 30 Ca 0.01 -0.80 -0.10 0.00 0.00 0.00 0.00 61.98 61.10 2dmf s VAL 30 Cb -0.09 -1.51 0.14 0.00 0.00 0.00 0.00 36.38 34.92 2dmf s VAL 30 CO 0.02 0.21 0.43 -0.63 0.00 0.00 0.00 175.10 175.13 2dmf s ILE 31 N 1.50 4.42 0.25 2.22 1.09 -0.30 -5.03 121.20 125.35 2dmf s ILE 31 Ca 0.01 -2.02 -0.30 0.00 -1.10 0.00 0.00 60.65 57.23 2dmf s ILE 31 Cb -0.15 -3.87 -0.14 0.00 -1.06 0.00 0.00 42.46 37.24 2dmf s ILE 31 CO -0.08 -0.83 1.27 0.29 -0.10 0.00 0.00 174.94 175.48 2dmf n LYS 32 N 4.61 1.75 -4.14 2.79 5.02 -1.26 -3.19 118.16 123.75 2dmf n LYS 32 Ca -0.03 0.62 -0.25 0.00 -2.02 0.00 0.00 58.31 56.63 2dmf n LYS 32 Cb 0.41 -2.18 -0.07 0.00 -0.02 0.00 0.00 35.03 33.17 2dmf n LYS 32 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 2dmf s GLY 33 N -0.01 2.37 -0.30 0.72 0.00 -1.24 -4.96 107.32 103.90 2dmf s GLY 33 Ca 0.66 -1.99 -0.14 0.00 0.00 0.00 0.00 44.72 43.24 2dmf s GLY 33 CO 0.54 -1.93 1.08 0.21 0.00 0.00 0.00 173.10 173.00 2dmf s ASN 34 N -3.93 -0.40 0.00 1.64 3.84 -1.26 -4.74 114.94 110.08 2dmf s ASN 34 Ca 0.39 0.32 0.00 0.00 0.21 0.00 0.00 52.86 53.78 2dmf s ASN 34 Cb 0.03 1.37 0.00 0.00 -0.55 0.00 0.00 41.25 42.10 2dmf s ASN 34 CO 0.22 -0.08 0.00 0.61 -2.79 0.00 0.00 177.10 175.06 2dmf n GLY 35 N 5.30 -0.87 0.23 1.21 0.00 -1.26 -4.86 105.19 104.94 2dmf n GLY 35 Ca -0.07 0.62 -0.08 0.00 0.00 0.00 0.00 46.02 46.48 2dmf n GLY 35 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2dmf h ARG 36 N 0.00 -0.52 -0.07 1.61 -0.00 -2.01 -3.38 114.38 110.01 2dmf h ARG 36 Ca 0.00 0.04 0.00 0.00 -0.50 0.00 0.00 59.98 59.52 2dmf h ARG 36 Cb 0.00 0.12 0.00 0.00 0.00 0.00 0.00 29.97 30.09 2dmf h ARG 36 CO 0.00 -0.35 0.00 0.25 0.00 0.00 0.00 179.97 179.87 2dmf n THR 37 N -4.21 1.08 -4.21 2.04 -2.24 -1.26 -5.00 114.28 100.48 2dmf n THR 37 Ca -0.07 -1.09 -0.29 0.00 -2.27 0.00 0.00 64.05 60.32 2dmf n THR 37 Cb 0.21 0.44 -0.08 0.00 -2.10 0.00 0.00 70.33 68.81 2dmf n THR 37 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2dmf n SER 38 N -0.37 0.57 -4.77 3.42 7.64 -1.26 -3.93 113.62 114.92 2dmf n SER 38 Ca 0.03 -1.20 -0.40 0.00 1.01 0.00 0.00 58.87 58.31 2dmf n SER 38 Cb 0.32 -2.02 -0.03 0.00 -1.01 0.00 0.00 64.21 61.47 2dmf n SER 38 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 2dmf s PRO 39 N -7.14 4.42 -0.25 1.43 0.04 -1.26 -4.62 135.00 127.61 2dmf s PRO 39 Ca 0.00 2.04 -0.10 0.00 0.04 0.00 0.00 61.00 62.98 2dmf s PRO 39 Cb -0.00 -3.07 -0.05 0.00 0.04 0.00 0.00 34.50 31.42 2dmf s PRO 39 CO 0.97 -0.07 0.16 -1.58 0.04 0.00 0.00 177.00 176.52 2dmf s TRP 40 N -1.17 3.26 -0.22 0.56 0.52 0.02 -3.67 118.94 118.23 2dmf s TRP 40 Ca 0.48 0.13 -0.11 0.00 0.02 0.00 0.00 56.10 56.63 2dmf s TRP 40 Cb -0.36 -2.30 -0.05 0.00 -1.15 0.00 0.00 33.47 29.61 2dmf s TRP 40 CO 0.48 -0.04 0.17 -2.00 0.02 0.00 0.00 176.95 175.57 2dmf s GLU 41 N 1.31 4.12 -0.03 4.98 2.56 -1.19 -1.11 118.70 129.33 2dmf s GLU 41 Ca 0.07 -0.21 0.04 0.00 0.00 0.00 0.00 54.97 54.87 2dmf s GLU 41 Cb -0.14 -3.50 -0.00 0.00 2.00 0.00 0.00 34.13 32.48 2dmf s GLU 41 CO 0.06 0.14 -0.16 0.42 -0.56 0.00 0.00 175.26 175.16 2dmf s ILE 42 N 0.82 1.33 0.23 -3.70 1.01 -0.13 -1.15 121.20 119.62 2dmf s ILE 42 Ca 0.09 -0.68 0.11 0.00 0.00 0.00 0.00 60.65 60.17 2dmf s ILE 42 Cb -0.13 -1.14 -0.05 0.00 0.01 0.00 0.00 42.46 41.16 2dmf s ILE 42 CO 0.03 0.39 -0.18 -0.31 0.00 0.00 0.00 174.94 174.86 2dmf s TYR 43 N -0.05 2.39 -0.25 3.97 2.02 -0.83 -0.55 117.35 124.05 2dmf s TYR 43 Ca -0.01 -0.31 -0.26 0.00 -0.37 0.00 0.00 57.07 56.12 2dmf s TYR 43 Cb -0.10 -1.11 0.10 0.00 -0.40 0.00 0.00 41.96 40.45 2dmf s TYR 43 CO 0.01 0.60 0.89 -1.50 -1.57 0.00 0.00 175.55 173.99 2dmf s ILE 44 N -2.07 0.00 -0.36 2.71 2.07 -1.20 -1.38 121.20 120.97 2dmf s ILE 44 Ca 0.26 0.00 -0.03 0.00 -1.41 0.00 0.00 60.65 59.47 2dmf s ILE 44 Cb -0.07 -1.00 0.07 0.00 0.13 0.00 0.00 42.46 41.60 2dmf s ILE 44 CO 0.14 0.00 0.11 -0.89 -1.91 0.00 0.00 174.94 172.39 2dmf s THR 45 N 0.09 3.30 0.42 4.00 2.01 -1.21 -0.20 115.64 124.04 2dmf s THR 45 Ca 0.01 -1.61 -0.25 0.00 0.31 0.00 0.00 61.69 60.15 2dmf s THR 45 Cb -0.04 -3.05 -0.08 0.00 0.01 0.00 0.00 72.50 69.34 2dmf s THR 45 CO -0.02 -0.37 1.18 -0.76 -0.69 0.00 0.00 174.62 173.96 2dmf s LEU 46 N 1.24 4.14 0.03 4.42 2.01 -1.24 -4.97 118.68 124.31 2dmf s LEU 46 Ca 0.01 2.37 0.02 0.00 0.01 0.00 0.00 54.13 56.54 2dmf s LEU 46 Cb -0.21 -4.07 -0.02 0.00 0.01 0.00 0.00 46.19 41.90 2dmf s LEU 46 CO -0.02 -0.77 -0.08 -1.00 1.01 0.00 0.00 176.35 175.50 2dmf s HIS 47 N -1.43 0.68 0.49 0.29 3.76 -1.26 -4.30 115.29 113.51 2dmf s HIS 47 Ca 0.59 -0.37 -0.22 0.00 -0.15 0.00 0.00 55.06 54.91 2dmf s HIS 47 Cb -0.31 -0.41 -0.07 0.00 1.11 0.00 0.00 32.58 32.90 2dmf s HIS 47 CO 0.39 -0.05 1.15 -1.25 -0.85 0.00 0.00 174.74 174.13 2dmf s PRO 48 N -1.13 3.64 -0.52 8.40 0.04 -1.26 -4.85 135.00 139.32 2dmf s PRO 48 Ca -0.05 1.72 -0.26 0.00 0.04 0.00 0.00 61.00 62.45 2dmf s PRO 48 Cb -0.08 -2.28 -0.08 0.00 0.04 0.00 0.00 34.50 32.10 2dmf s PRO 48 CO 0.00 -0.64 2.42 0.00 0.04 0.00 0.00 177.00 178.83 2dmf n ALA 49 N -0.74 0.74 -3.20 8.56 0.00 -1.26 -4.89 120.51 119.73 2dmf n ALA 49 Ca 0.09 -0.97 -0.13 0.00 0.00 0.00 0.00 53.44 52.43 2dmf n ALA 49 Cb 0.49 -3.21 -0.08 0.00 0.00 0.00 0.00 19.45 16.66 2dmf n ALA 49 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2dmf s THR 50 N 12.40 0.06 0.59 0.00 -4.23 -1.26 -5.12 115.64 118.07 2dmf s THR 50 Ca 0.98 -0.48 -0.08 0.00 -1.18 0.00 0.00 61.69 60.94 2dmf s THR 50 Cb -0.19 -0.77 0.13 0.00 1.34 0.00 0.00 72.50 73.01 2dmf s THR 50 CO 0.25 -0.26 0.28 0.00 -0.54 0.00 0.00 174.62 174.36 2dmf n ALA 51 N 0.98 -1.73 -0.77 3.99 0.00 -1.26 -4.70 120.51 117.01 2dmf n ALA 51 Ca -0.20 -0.50 -0.07 0.00 0.00 0.00 0.00 53.44 52.66 2dmf n ALA 51 Cb 0.57 -0.05 -0.10 0.00 0.00 0.00 0.00 19.45 19.88 2dmf n ALA 51 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2dmf n GLU 52 N -1.87 1.53 -3.63 0.00 -0.58 -1.26 -4.54 120.64 110.30 2dmf n GLU 52 Ca 0.05 -0.58 -0.27 0.00 -0.42 0.00 0.00 57.16 55.93 2dmf n GLU 52 Cb 0.20 -1.61 -0.11 0.00 -0.57 0.00 0.00 31.44 29.35 2dmf n GLU 52 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 2dmf n ASP 53 N 2.14 1.44 -3.80 1.62 8.00 -1.26 -5.06 116.55 119.63 2dmf n ASP 53 Ca 0.25 -2.84 -0.27 0.00 0.71 0.00 0.00 54.79 52.63 2dmf n ASP 53 Cb 0.72 -0.66 -0.16 0.00 -0.02 0.00 0.00 41.12 40.99 2dmf n ASP 53 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 2dmf s GLN 54 N -0.86 0.95 0.00 -1.24 -0.21 -1.26 -4.98 119.66 112.06 2dmf s GLN 54 Ca 0.30 -0.44 0.00 0.00 0.02 0.00 0.00 55.36 55.23 2dmf s GLN 54 Cb 0.01 -1.99 0.00 0.00 1.00 0.00 0.00 33.01 32.03 2dmf s GLN 54 CO -0.17 -0.54 0.00 -0.40 -2.12 0.00 0.00 175.29 172.06 2dmf n ASP 55 N 4.98 0.26 0.33 5.90 5.68 -1.26 -4.87 116.55 127.56 2dmf n ASP 55 Ca -0.10 0.00 -0.13 0.00 -0.50 0.00 0.00 54.79 54.06 2dmf n ASP 55 Cb 0.47 0.00 -0.06 0.00 -1.14 0.00 0.00 41.12 40.39 2dmf n ASP 55 CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 2dmf h SER 56 N 0.00 -0.73 -3.83 -1.12 0.02 -2.04 -3.48 113.55 102.37 2dmf h SER 56 Ca 0.00 0.03 -0.19 0.00 -0.84 0.00 0.00 61.79 60.79 2dmf h SER 56 Cb 0.94 0.19 0.09 0.00 0.14 0.00 0.00 62.40 63.76 2dmf h SER 56 CO 0.00 -0.42 -0.40 1.67 -1.14 0.00 0.00 176.83 176.55 2dmf n GLN 57 N -4.90 -3.81 -0.30 3.45 7.27 -1.26 -4.93 117.38 112.88 2dmf n GLN 57 Ca -0.11 0.45 -0.01 0.00 0.07 0.00 0.00 57.00 57.40 2dmf n GLN 57 Cb 0.34 -4.31 0.11 0.00 2.41 0.00 0.00 30.24 28.79 2dmf n GLN 57 CO 0.00 0.00 0.00 -0.92 0.07 0.00 0.00 177.06 176.21 2dmf h TYR 58 N -1.17 0.99 -3.70 3.69 3.20 -1.93 -3.38 116.97 114.67 2dmf h TYR 58 Ca -0.31 0.03 -0.68 0.00 3.14 0.00 0.00 58.73 60.91 2dmf h TYR 58 Cb 1.19 -0.33 -0.19 0.00 1.54 0.00 0.00 36.73 38.94 2dmf h TYR 58 CO 0.25 0.56 -0.46 0.54 -1.64 0.00 0.00 178.16 177.40 2dmf s VAL 59 N -6.09 5.28 -0.29 1.81 0.11 -1.26 -2.55 120.40 117.41 2dmf s VAL 59 Ca -0.13 -0.23 -0.16 0.00 -2.93 0.00 0.00 61.98 58.54 2dmf s VAL 59 Cb 0.17 -3.74 0.14 0.00 -1.53 0.00 0.00 36.38 31.42 2dmf s VAL 59 CO 0.79 -0.04 0.93 0.00 -3.33 0.00 0.00 175.10 173.45 2dmf s PHE 61 N 1.53 1.12 -0.80 0.00 -0.71 -1.26 -1.45 117.98 116.41 2dmf s PHE 61 Ca -0.09 -0.65 -0.25 0.00 -1.04 0.00 0.00 56.93 54.90 2dmf s PHE 61 Cb -0.04 -1.04 -0.03 0.00 -1.21 0.00 0.00 43.02 40.70 2dmf s PHE 61 CO -0.16 -0.50 1.84 0.99 -1.34 0.00 0.00 175.22 176.05 2dmf s THR 62 N 1.83 3.47 -0.60 -4.49 2.01 -0.80 -3.62 115.64 113.43 2dmf s THR 62 Ca 0.02 -0.15 -0.26 0.00 0.31 0.00 0.00 61.69 61.61 2dmf s THR 62 Cb -0.14 -4.11 -0.03 0.00 0.01 0.00 0.00 72.50 68.22 2dmf s THR 62 CO -0.07 -1.06 1.99 -0.22 -0.69 0.00 0.00 174.62 174.57 2dmf s LEU 63 N 9.08 3.30 -0.24 4.42 2.96 0.71 -2.72 118.68 136.20 2dmf s LEU 63 Ca 0.65 0.45 -0.29 0.00 -0.22 0.00 0.00 54.13 54.72 2dmf s LEU 63 Cb -0.08 -2.52 0.01 0.00 0.50 0.00 0.00 46.19 44.09 2dmf s LEU 63 CO 0.07 -2.53 1.04 -0.69 -1.32 0.00 0.00 176.35 172.93 2dmf s VAL 64 N 9.89 4.66 -0.34 1.68 1.01 -0.05 -3.23 120.40 134.03 2dmf s VAL 64 Ca 0.74 2.00 -0.02 0.00 0.00 0.00 0.00 61.98 64.71 2dmf s VAL 64 Cb -0.13 -4.32 0.07 0.00 0.00 0.00 0.00 36.38 32.00 2dmf s VAL 64 CO 0.21 -0.21 0.07 -0.76 0.00 0.00 0.00 175.10 174.41 2dmf s LEU 65 N 3.24 4.44 -0.66 3.92 1.43 0.29 -1.96 118.68 129.38 2dmf s LEU 65 Ca 0.44 -1.60 -0.15 0.00 -1.03 0.00 0.00 54.13 51.79 2dmf s LEU 65 Cb -0.15 -1.75 0.17 0.00 0.03 0.00 0.00 46.19 44.49 2dmf s LEU 65 CO 0.07 -0.37 0.62 -1.58 0.23 0.00 0.00 176.35 175.32 2dmf s GLN 66 N 1.19 3.25 -0.46 1.70 0.74 -1.06 -0.95 119.66 124.06 2dmf s GLN 66 Ca 0.01 -2.01 -0.26 0.00 0.05 0.00 0.00 55.36 53.15 2dmf s GLN 66 Cb -0.21 -4.36 0.03 0.00 1.10 0.00 0.00 33.01 29.57 2dmf s GLN 66 CO -0.03 -1.32 0.96 0.08 -0.55 0.00 0.00 175.29 174.43 2dmf s VAL 67 N 1.05 4.43 0.00 1.34 1.01 -0.27 -1.08 120.40 126.88 2dmf s VAL 67 Ca 0.10 0.82 0.00 0.00 0.00 0.00 0.00 61.98 62.90 2dmf s VAL 67 Cb -0.22 -4.46 0.00 0.00 0.00 0.00 0.00 36.38 31.70 2dmf s VAL 67 CO -0.02 -0.87 0.00 -0.81 0.00 0.00 0.00 175.10 173.41 2dmf n PRO 68 N 7.28 -0.84 0.07 2.72 -0.04 -1.26 -0.80 135.00 142.13 2dmf n PRO 68 Ca 0.07 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.39 2dmf n PRO 68 Cb 0.49 0.00 -0.14 0.00 -0.04 0.00 0.00 33.50 33.81 2dmf n PRO 68 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2dmf h ALA 69 N -2.00 0.26 -0.87 0.55 0.00 -1.86 -3.32 119.26 112.01 2dmf h ALA 69 Ca 0.00 -1.03 -0.01 0.00 0.00 0.00 0.00 54.91 53.87 2dmf h ALA 69 Cb 0.00 0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 2dmf h ALA 69 CO 0.00 1.13 0.51 0.93 0.00 0.00 0.00 179.25 181.82 2dmf h GLU 70 N 0.06 1.19 -4.56 0.00 4.39 -1.90 -3.45 114.58 110.31 2dmf h GLU 70 Ca -0.17 -0.12 -0.50 0.00 0.34 0.00 0.00 59.36 58.91 2dmf h GLU 70 Cb 1.96 -0.25 0.09 0.00 -0.10 0.00 0.00 28.75 30.46 2dmf h GLU 70 CO 0.17 0.85 -0.50 0.98 -1.16 0.00 0.00 179.01 179.35 2dmf n TYR 71 N -4.40 -0.73 0.19 4.33 4.19 -1.22 -1.81 117.16 117.72 2dmf n TYR 71 Ca 0.09 0.66 0.04 0.00 3.31 0.00 0.00 57.90 62.01 2dmf n TYR 71 Cb 0.07 -1.45 0.37 0.00 0.49 0.00 0.00 39.34 38.82 2dmf n TYR 71 CO 0.00 0.00 0.00 -1.00 0.91 0.00 0.00 176.86 176.77 2dmf h PRO 72 N 0.61 0.00 -0.58 2.98 0.13 -1.86 -3.44 132.00 129.84 2dmf h PRO 72 Ca -0.23 0.00 0.23 0.00 -0.87 0.00 0.00 66.00 65.13 2dmf h PRO 72 Cb 1.10 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.13 2dmf h PRO 72 CO 0.41 0.38 0.33 0.72 -0.23 0.00 0.00 178.00 179.61 2dmf n HIS 73 N -3.77 0.58 -4.93 1.56 8.25 -0.75 -3.81 115.22 112.35 2dmf n HIS 73 Ca -0.01 0.58 -0.33 0.00 -0.26 0.00 0.00 57.72 57.70 2dmf n HIS 73 Cb 0.46 -1.01 -0.15 0.00 1.12 0.00 0.00 29.99 30.41 2dmf n HIS 73 CO 0.00 0.00 0.00 -2.00 0.64 0.00 0.00 176.34 174.98 2dmf s GLU 74 N -4.75 3.02 0.35 -0.41 2.56 -1.23 -4.82 118.70 113.42 2dmf s GLU 74 Ca -0.05 -0.74 -0.28 0.00 0.00 0.00 0.00 54.97 53.91 2dmf s GLU 74 Cb 0.18 -2.47 -0.09 0.00 2.00 0.00 0.00 34.13 33.75 2dmf s GLU 74 CO 0.42 0.33 1.20 0.14 -0.56 0.00 0.00 175.26 176.80 2dmf s VAL 75 N 0.02 3.06 0.16 3.70 -7.23 -1.25 -3.42 120.40 115.44 2dmf s VAL 75 Ca -0.06 1.00 -0.31 0.00 -1.81 0.00 0.00 61.98 60.81 2dmf s VAL 75 Cb -0.15 -3.61 -0.08 0.00 0.56 0.00 0.00 36.38 33.10 2dmf s VAL 75 CO 0.05 0.19 1.33 -2.16 -0.31 0.00 0.00 175.10 174.19 2dmf s PRO 76 N -1.90 4.37 -0.49 4.82 0.04 -1.26 -4.79 135.00 135.78 2dmf s PRO 76 Ca 0.51 2.04 -0.26 0.00 0.04 0.00 0.00 61.00 63.33 2dmf s PRO 76 Cb -0.34 -3.22 -0.06 0.00 0.04 0.00 0.00 34.50 30.92 2dmf s PRO 76 CO 0.45 -0.32 2.27 -1.14 0.04 0.00 0.00 177.00 178.30 2dmf s GLN 77 N 0.41 2.30 0.04 4.56 2.00 -0.24 -4.68 119.66 124.04 2dmf s GLN 77 Ca 0.60 1.29 -0.26 0.00 -2.00 0.00 0.00 55.36 54.99 2dmf s GLN 77 Cb -0.36 -4.52 -0.05 0.00 0.80 0.00 0.00 33.01 28.88 2dmf s GLN 77 CO 0.35 -3.06 0.79 0.42 -0.50 0.00 0.00 175.29 173.29 2dmf s ILE 78 N 11.19 4.75 -0.16 -2.34 1.01 -1.26 -2.57 121.20 131.82 2dmf s ILE 78 Ca 0.91 1.68 -0.15 0.00 0.00 0.00 0.00 60.65 63.09 2dmf s ILE 78 Cb -0.17 -4.14 0.04 0.00 0.01 0.00 0.00 42.46 38.20 2dmf s ILE 78 CO 0.26 0.34 0.44 -0.44 0.00 0.00 0.00 174.94 175.53 2dmf s SER 79 N 0.09 -0.45 0.12 3.58 0.01 -0.83 -5.02 113.70 111.21 2dmf s SER 79 Ca 0.40 0.86 -0.14 0.00 1.31 0.00 0.00 55.95 58.38 2dmf s SER 79 Cb -0.21 0.88 -0.07 0.00 0.21 0.00 0.00 66.02 66.84 2dmf s SER 79 CO 0.23 -0.17 0.53 -0.63 0.41 0.00 0.00 173.24 173.62 2dmf s ILE 80 N 0.17 4.88 -0.05 1.44 -1.09 -1.26 -0.87 121.20 124.42 2dmf s ILE 80 Ca -0.01 0.84 -0.03 0.00 -2.23 0.00 0.00 60.65 59.22 2dmf s ILE 80 Cb -0.03 -3.74 0.02 0.00 -1.58 0.00 0.00 42.46 37.13 2dmf s ILE 80 CO 0.01 0.31 0.12 -0.60 -1.23 0.00 0.00 174.94 173.54 2dmf s ARG 81 N -1.80 0.10 -1.18 2.79 3.52 -1.10 -4.88 118.95 116.41 2dmf s ARG 81 Ca 0.35 0.23 -0.04 0.00 -0.13 0.00 0.00 55.73 56.14 2dmf s ARG 81 Cb -0.16 -0.04 0.00 0.00 -1.56 0.00 0.00 34.95 33.20 2dmf s ARG 81 CO 0.19 -0.08 1.01 0.09 -0.81 0.00 0.00 175.30 175.70 2dmf n ASN 82 N 3.51 -4.00 -4.65 -2.12 4.13 -1.26 -1.91 115.26 108.97 2dmf n ASN 82 Ca -0.18 -0.54 -0.43 0.00 1.68 0.00 0.00 54.58 55.11 2dmf n ASN 82 Cb 0.56 -4.74 -0.03 0.00 -1.54 0.00 0.00 39.78 34.04 2dmf n ASN 82 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 2dmf s PRO 83 N -5.72 4.03 -0.02 3.52 0.04 -1.26 -4.48 135.00 131.11 2dmf s PRO 83 Ca 0.26 1.86 0.07 0.00 0.04 0.00 0.00 61.00 63.24 2dmf s PRO 83 Cb -0.12 -3.96 -0.02 0.00 0.04 0.00 0.00 34.50 30.44 2dmf s PRO 83 CO 0.67 -1.00 -0.24 0.50 0.04 0.00 0.00 177.00 176.98 2dmf s ARG 84 N 4.19 1.90 0.00 4.56 3.52 -0.53 -4.75 118.95 127.85 2dmf s ARG 84 Ca 0.69 -0.85 0.00 0.00 -0.13 0.00 0.00 55.73 55.43 2dmf s ARG 84 Cb -0.27 -1.85 0.00 0.00 -1.56 0.00 0.00 34.95 31.27 2dmf s ARG 84 CO 0.26 0.51 0.00 0.41 -0.81 0.00 0.00 175.30 175.67 2dmf n GLY 85 N 2.47 1.68 3.80 8.12 0.00 -1.06 -2.14 105.19 118.06 2dmf n GLY 85 Ca -0.16 -0.21 -0.32 0.00 0.00 0.00 0.00 46.02 45.33 2dmf n GLY 85 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2dmf s LEU 86 N 0.00 3.31 0.14 0.99 1.43 -1.26 -4.89 118.68 118.40 2dmf s LEU 86 Ca 0.00 1.79 0.06 0.00 -1.03 0.00 0.00 54.13 54.95 2dmf s LEU 86 Cb 0.00 -4.52 -0.04 0.00 0.03 0.00 0.00 46.19 41.66 2dmf s LEU 86 CO 0.00 -1.45 0.01 -0.55 0.23 0.00 0.00 176.35 174.59 2dmf s SER 87 N -3.12 4.93 0.25 2.29 0.15 -1.26 -4.93 113.70 112.01 2dmf s SER 87 Ca 0.62 -0.29 0.05 0.00 0.70 0.00 0.00 55.95 57.04 2dmf s SER 87 Cb -0.16 -1.12 0.70 0.00 -1.71 0.00 0.00 66.02 63.73 2dmf s SER 87 CO 0.45 0.12 1.20 0.47 1.20 0.00 0.00 173.24 176.68 2dmf n ASP 88 N 0.14 0.01 0.15 5.45 8.00 -1.26 -0.69 116.55 128.35 2dmf n ASP 88 Ca -0.10 1.29 -0.06 0.00 0.71 0.00 0.00 54.79 56.63 2dmf n ASP 88 Cb 0.54 -0.51 -0.03 0.00 -0.02 0.00 0.00 41.12 41.10 2dmf n ASP 88 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 2dmf h GLU 89 N 0.00 -0.37 -0.90 -1.24 4.39 -2.01 -2.58 114.58 111.89 2dmf h GLU 89 Ca 0.51 0.02 0.19 0.00 0.34 0.00 0.00 59.36 60.42 2dmf h GLU 89 Cb 1.16 0.08 -0.17 0.00 -0.10 0.00 0.00 28.75 29.72 2dmf h GLU 89 CO -0.68 -0.24 -0.19 1.96 -1.16 0.00 0.00 179.01 178.69 2dmf h GLN 90 N -0.43 0.01 0.02 2.33 4.20 -1.30 -1.08 115.11 118.85 2dmf h GLN 90 Ca -0.04 -0.00 0.01 0.00 0.06 0.00 0.00 58.65 58.68 2dmf h GLN 90 Cb 0.29 -0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.03 2dmf h GLN 90 CO 0.06 0.00 -0.37 0.82 -0.67 0.00 0.00 178.83 178.68 2dmf h ILE 91 N 0.01 0.00 -0.86 2.54 2.04 -1.02 -1.63 117.51 118.58 2dmf h ILE 91 Ca 0.44 0.00 0.24 0.00 1.00 0.00 0.00 64.86 66.54 2dmf h ILE 91 Cb 0.71 0.00 -0.16 0.00 -0.74 0.00 0.00 36.82 36.63 2dmf h ILE 91 CO -0.91 0.00 0.01 1.57 0.00 0.00 0.00 178.15 178.83 2dmf n HIS 92 N -4.51 0.54 0.06 1.37 -0.00 -0.43 0.83 115.22 113.08 2dmf n HIS 92 Ca -0.05 1.04 -0.12 0.00 0.46 0.00 0.00 57.72 59.05 2dmf n HIS 92 Cb 0.27 -1.14 -0.06 0.00 -0.12 0.00 0.00 29.99 28.94 2dmf n HIS 92 CO 0.00 0.00 0.00 1.15 0.46 0.00 0.00 176.34 177.95 2dmf h THR 93 N 0.00 0.85 -0.97 3.57 2.02 -1.08 -2.70 112.91 114.59 2dmf h THR 93 Ca 0.52 0.00 0.23 0.00 0.77 0.00 0.00 66.41 67.93 2dmf h THR 93 Cb 1.07 0.85 -0.18 0.00 -1.74 0.00 0.00 68.15 68.14 2dmf h THR 93 CO -0.81 0.00 -0.10 0.40 0.37 0.00 0.00 175.52 175.38 2dmf h ILE 94 N -0.13 0.04 0.74 3.11 2.04 0.97 -0.82 117.51 123.46 2dmf h ILE 94 Ca 0.01 -0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.83 2dmf h ILE 94 Cb 0.14 0.03 0.01 0.00 -0.74 0.00 0.00 36.82 36.26 2dmf h ILE 94 CO -0.04 0.00 -0.35 -0.07 0.00 0.00 0.00 178.15 177.69 2dmf h LEU 95 N 0.01 -0.84 -1.64 1.44 3.38 -1.32 -0.42 115.31 115.93 2dmf h LEU 95 Ca 0.53 0.03 0.51 0.00 0.09 0.00 0.00 57.88 59.04 2dmf h LEU 95 Cb 0.96 0.22 -0.11 0.00 0.09 0.00 0.00 40.66 41.82 2dmf h LEU 95 CO -0.94 -0.57 1.13 0.00 0.09 0.00 0.00 178.44 178.15 2dmf n GLN 96 N -4.85 -0.02 0.00 1.13 6.02 -0.40 -0.18 117.38 119.08 2dmf n GLN 96 Ca -0.12 1.13 0.00 0.00 -0.01 0.00 0.00 57.00 58.00 2dmf n GLN 96 Cb 0.39 -2.41 0.00 0.00 1.02 0.00 0.00 30.24 29.24 2dmf n GLN 96 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 2dmf n VAL 97 N -4.25 0.00 -0.33 5.09 0.31 -0.67 -2.57 118.33 115.91 2dmf n VAL 97 Ca 0.41 0.38 0.21 0.00 -0.01 0.00 0.00 64.34 65.33 2dmf n VAL 97 Cb 1.75 -1.16 0.39 0.00 -0.91 0.00 0.00 33.84 33.91 2dmf n VAL 97 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2dmf n LEU 98 N -1.70 0.05 -0.12 7.52 4.77 -0.20 0.82 117.00 128.14 2dmf n LEU 98 Ca 0.00 1.65 -0.11 0.00 -0.03 0.00 0.00 56.01 57.52 2dmf n LEU 98 Cb 0.00 -0.67 -0.02 0.00 -2.33 0.00 0.00 43.42 40.39 2dmf n LEU 98 CO 0.00 -1.73 0.73 1.23 -1.33 0.00 0.00 177.39 176.29 2dmf h GLY 99 N 0.00 0.74 0.31 -0.72 0.00 -0.74 -3.13 103.07 99.54 2dmf h GLY 99 Ca 0.68 -0.60 0.10 0.00 0.00 0.00 0.00 47.33 47.51 2dmf h GLY 99 CO -0.86 0.55 0.16 0.84 0.00 0.00 0.00 176.54 177.22 2dmf h HIS 100 N 0.49 0.26 -0.91 5.60 -0.00 0.69 -0.89 115.15 120.38 2dmf h HIS 100 Ca 0.09 0.03 0.12 0.00 -0.00 0.00 0.00 60.37 60.62 2dmf h HIS 100 Cb 0.57 -0.03 -0.08 0.00 -0.00 0.00 0.00 27.41 27.86 2dmf h HIS 100 CO 0.05 0.02 0.54 0.28 -0.00 0.00 0.00 177.93 178.82 2dmf h VAL 101 N 0.30 0.87 0.88 5.26 2.07 -1.31 -0.40 116.25 123.92 2dmf h VAL 101 Ca 0.29 -0.29 -0.04 0.00 0.82 0.00 0.00 66.70 67.48 2dmf h VAL 101 Cb 0.39 -0.05 0.01 0.00 -1.52 0.00 0.00 31.29 30.12 2dmf h VAL 101 CO -0.34 0.15 -0.42 0.00 0.02 0.00 0.00 177.57 176.98 2dmf h ALA 102 N 1.52 -1.18 -0.28 1.67 0.00 -1.15 0.74 119.26 120.57 2dmf h ALA 102 Ca 0.46 -0.26 0.08 0.00 0.00 0.00 0.00 54.91 55.19 2dmf h ALA 102 Cb 0.50 0.46 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 2dmf h ALA 102 CO -0.28 -1.14 0.27 0.87 0.00 0.00 0.00 179.25 178.97 2dmf h LYS 103 N -1.24 0.00 0.00 0.00 1.57 -1.11 0.38 116.57 116.17 2dmf h LYS 103 Ca -0.12 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.66 2dmf h LYS 103 Cb 0.91 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.22 2dmf h LYS 103 CO 0.20 0.00 -0.42 0.00 -0.57 0.00 0.00 179.45 178.66 2dmf h ALA 104 N 1.72 0.76 -0.60 3.86 0.00 -0.68 -3.33 119.26 121.00 2dmf h ALA 104 Ca 0.13 0.00 -0.44 0.00 0.00 0.00 0.00 54.91 54.61 2dmf h ALA 104 Cb 0.68 0.00 -0.33 0.00 0.00 0.00 0.00 17.79 18.14 2dmf h ALA 104 CO -0.00 0.00 -0.66 0.41 0.00 0.00 0.00 179.25 179.00 2dmf n GLY 105 N 1.22 6.09 3.79 0.00 0.00 0.13 -5.06 105.19 111.35 2dmf n GLY 105 Ca 0.03 -2.34 -0.35 0.00 0.00 0.00 0.00 46.02 43.37 2dmf n GLY 105 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2dmf s LEU 106 N -3.53 3.83 0.00 0.99 1.43 -0.80 -3.24 118.68 117.36 2dmf s LEU 106 Ca 0.49 2.06 0.00 0.00 -1.03 0.00 0.00 54.13 55.64 2dmf s LEU 106 Cb 0.41 -4.53 0.00 0.00 0.03 0.00 0.00 46.19 42.10 2dmf s LEU 106 CO 0.01 -0.95 0.00 0.61 0.23 0.00 0.00 176.35 176.25 2dmf n GLY 107 N -0.01 2.61 3.42 -3.19 0.00 -1.26 -4.98 105.19 101.78 2dmf n GLY 107 Ca 0.10 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.89 2dmf n GLY 107 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2dmf s THR 108 N -2.14 0.30 0.21 2.61 -4.23 -1.20 -4.88 115.64 106.31 2dmf s THR 108 Ca 0.00 -2.00 -0.31 0.00 -1.18 0.00 0.00 61.69 58.20 2dmf s THR 108 Cb 0.00 -2.38 -0.10 0.00 1.34 0.00 0.00 72.50 71.36 2dmf s THR 108 CO 0.00 0.00 1.49 0.00 -0.54 0.00 0.00 174.62 175.57 2dmf s ALA 109 N -3.29 3.69 0.00 3.99 0.00 -1.26 -4.79 121.76 120.10 2dmf s ALA 109 Ca 0.30 1.34 0.00 0.00 0.00 0.00 0.00 51.96 53.60 2dmf s ALA 109 Cb 0.02 -3.59 0.00 0.00 0.00 0.00 0.00 23.12 19.55 2dmf s ALA 109 CO 0.20 -0.76 0.00 0.00 0.00 0.00 0.00 175.76 175.20 2dmf n MET 110 N 3.07 0.38 -0.05 0.00 3.85 -1.26 -4.83 117.12 118.28 2dmf n MET 110 Ca 0.10 0.00 -0.01 0.00 -1.00 0.00 0.00 57.70 56.79 2dmf n MET 110 Cb 0.40 -0.75 -0.01 0.00 -1.05 0.00 0.00 33.22 31.80 2dmf n MET 110 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 2dmf n LEU 111 N -1.86 -0.12 -0.32 3.17 4.77 -1.26 0.16 117.00 121.54 2dmf n LEU 111 Ca 0.00 0.68 0.13 0.00 -0.03 0.00 0.00 56.01 56.79 2dmf n LEU 111 Cb 0.25 -0.26 0.27 0.00 -2.33 0.00 0.00 43.42 41.35 2dmf n LEU 111 CO 0.00 -0.40 0.83 0.22 -1.33 0.00 0.00 177.39 176.71 2dmf h TYR 112 N 0.00 0.01 0.63 -1.77 3.20 -1.92 -0.75 116.97 116.37 2dmf h TYR 112 Ca 0.02 0.07 -0.03 0.00 3.14 0.00 0.00 58.73 61.92 2dmf h TYR 112 Cb 0.05 0.15 0.01 0.00 1.54 0.00 0.00 36.73 38.47 2dmf h TYR 112 CO -0.56 -0.37 -0.30 0.93 -1.64 0.00 0.00 178.16 176.21 2dmf h GLU 113 N 0.05 -0.81 -1.13 1.82 4.39 0.13 -2.81 114.58 116.22 2dmf h GLU 113 Ca 0.56 0.06 0.39 0.00 0.34 0.00 0.00 59.36 60.71 2dmf h GLU 113 Cb 1.14 0.19 -0.11 0.00 -0.10 0.00 0.00 28.75 29.87 2dmf h GLU 113 CO -0.84 -0.50 0.73 1.28 -1.16 0.00 0.00 179.01 178.52 2dmf n LEU 114 N -5.36 0.16 0.04 1.33 4.77 0.12 -0.60 117.00 117.46 2dmf n LEU 114 Ca -0.12 1.09 -0.02 0.00 -0.03 0.00 0.00 56.01 56.93 2dmf n LEU 114 Cb 0.35 -0.54 -0.01 0.00 -2.33 0.00 0.00 43.42 40.90 2dmf n LEU 114 CO 0.30 -1.18 0.14 0.40 -1.33 0.00 0.00 177.39 175.72 2dmf h ILE 115 N 0.00 0.00 -0.90 -0.08 2.04 -1.30 -3.18 117.51 114.09 2dmf h ILE 115 Ca 0.71 -0.30 0.23 0.00 1.00 0.00 0.00 64.86 66.50 2dmf h ILE 115 Cb 2.31 0.00 -0.17 0.00 -0.74 0.00 0.00 36.82 38.22 2dmf h ILE 115 CO -0.35 0.00 -0.04 -0.62 0.00 0.00 0.00 178.15 177.14 2dmf n GLU 116 N -3.24 -0.07 0.17 2.37 1.02 0.23 -0.21 120.64 120.91 2dmf n GLU 116 Ca -0.02 1.36 -0.17 0.00 -0.02 0.00 0.00 57.16 58.31 2dmf n GLU 116 Cb 0.06 -2.12 -0.10 0.00 -0.02 0.00 0.00 31.44 29.26 2dmf n GLU 116 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 2dmf h LYS 117 N 0.00 -0.80 -0.93 3.49 1.63 -1.37 -1.97 116.57 116.62 2dmf h LYS 117 Ca 0.52 0.05 0.24 0.00 -0.85 0.00 0.00 60.65 60.61 2dmf h LYS 117 Cb 1.01 0.18 -0.13 0.00 -0.60 0.00 0.00 32.23 32.69 2dmf h LYS 117 CO -0.86 -0.54 0.44 0.78 -3.45 0.00 0.00 179.45 175.82 2dmf h GLY 118 N -0.83 1.66 -0.35 5.01 0.00 -0.57 -0.15 103.07 107.83 2dmf h GLY 118 Ca -0.02 -0.19 0.16 0.00 0.00 0.00 0.00 47.33 47.27 2dmf h GLY 118 CO -0.23 -0.30 -0.07 0.50 0.00 0.00 0.00 176.54 176.45 2dmf h LYS 119 N 0.41 0.06 0.38 4.80 1.57 -0.81 -1.08 116.57 121.89 2dmf h LYS 119 Ca 0.60 -0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 59.35 2dmf h LYS 119 Cb 1.17 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.47 2dmf h LYS 119 CO -0.54 0.04 -0.18 0.93 -0.57 0.00 0.00 179.45 179.13 2dmf h GLU 120 N 0.06 -0.49 -0.52 3.15 3.07 -0.97 -3.11 114.58 115.77 2dmf h GLU 120 Ca 0.37 0.03 0.05 0.00 -0.50 0.00 0.00 59.36 59.32 2dmf h GLU 120 Cb 0.62 0.11 -0.07 0.00 -0.84 0.00 0.00 28.75 28.57 2dmf h GLU 120 CO -0.68 -0.32 -0.43 0.82 -1.40 0.00 0.00 179.01 177.01 2dmf h ILE 121 N -0.52 0.00 -0.95 3.13 2.04 -1.09 -1.34 117.51 118.77 2dmf h ILE 121 Ca -0.05 0.00 0.10 0.00 1.00 0.00 0.00 64.86 65.91 2dmf h ILE 121 Cb 0.40 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 36.36 2dmf h ILE 121 CO 0.09 0.00 -0.53 -0.11 0.00 0.00 0.00 178.15 177.60 2dmf n LEU 122 N -4.67 -0.94 -0.16 1.44 -0.00 -0.82 -1.14 117.00 110.70 2dmf n LEU 122 Ca -0.01 1.69 -0.10 0.00 -0.00 0.00 0.00 56.01 57.60 2dmf n LEU 122 Cb 0.22 -0.25 -0.07 0.00 -0.00 0.00 0.00 43.42 43.32 2dmf n LEU 122 CO -0.06 -1.40 0.49 0.74 -0.00 0.00 0.00 177.39 177.16 2dmf h THR 123 N 0.00 0.00 -0.98 1.96 2.02 -1.19 0.16 112.91 114.88 2dmf h THR 123 Ca 0.19 0.00 0.27 0.00 0.77 0.00 0.00 66.41 67.64 2dmf h THR 123 Cb 0.42 0.00 -0.18 0.00 -1.74 0.00 0.00 68.15 66.65 2dmf h THR 123 CO -0.91 0.00 0.06 0.44 0.37 0.00 0.00 175.52 175.48 2dmf h ASP 124 N -0.22 -0.42 -2.67 4.18 5.19 -0.68 -3.02 116.42 118.78 2dmf h ASP 124 Ca 0.07 0.27 -0.60 0.00 -0.62 0.00 0.00 57.03 56.15 2dmf h ASP 124 Cb 0.41 0.46 -0.40 0.00 0.18 0.00 0.00 39.33 39.98 2dmf h ASP 124 CO -0.51 -0.35 -0.81 0.20 -3.12 0.00 0.00 179.24 174.66 2dmf s ASN 125 N -5.00 2.82 -0.08 6.45 0.01 0.15 -4.89 114.94 114.41 2dmf s ASN 125 Ca -0.13 -3.38 0.01 0.00 -0.71 0.00 0.00 52.86 48.65 2dmf s ASN 125 Cb 0.29 -0.92 -0.05 0.00 0.41 0.00 0.00 41.25 40.97 2dmf s ASN 125 CO 0.78 -0.14 -0.07 -0.46 -1.51 0.00 0.00 177.10 175.70 2dmf n ASN 126 N 2.50 3.37 -4.75 -1.22 6.94 0.33 -4.69 115.26 117.74 2dmf n ASN 126 Ca 0.25 -0.04 -0.41 0.00 -0.02 0.00 0.00 54.58 54.37 2dmf n ASN 126 Cb 0.42 -0.08 -0.04 0.00 -2.36 0.00 0.00 39.78 37.73 2dmf n ASN 126 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 2dmf s ILE 127 N -2.16 3.32 -0.22 1.53 1.09 -1.26 -4.64 121.20 118.84 2dmf s ILE 127 Ca -0.11 1.25 -0.29 0.00 -1.10 0.00 0.00 60.65 60.40 2dmf s ILE 127 Cb 0.03 -3.80 -0.03 0.00 -1.06 0.00 0.00 42.46 37.61 2dmf s ILE 127 CO 0.19 0.27 1.61 -2.16 -0.10 0.00 0.00 174.94 174.75 2dmf s PRO 128 N -1.14 3.79 0.22 2.79 0.04 -1.26 -5.00 135.00 134.43 2dmf s PRO 128 Ca 0.48 1.65 0.11 0.00 0.04 0.00 0.00 61.00 63.28 2dmf s PRO 128 Cb -0.34 -4.04 -0.05 0.00 0.04 0.00 0.00 34.50 30.12 2dmf s PRO 128 CO 0.42 -1.30 -0.22 -3.38 0.04 0.00 0.00 177.00 172.56 2dmf s HIS 129 N 5.22 2.26 0.00 0.56 -3.43 -1.26 -4.88 115.29 113.76 2dmf s HIS 129 Ca 0.71 -0.36 0.00 0.00 -0.80 0.00 0.00 55.06 54.61 2dmf s HIS 129 Cb -0.25 -1.07 0.00 0.00 -1.43 0.00 0.00 32.58 29.83 2dmf s HIS 129 CO 0.29 0.56 0.00 0.41 -2.00 0.00 0.00 174.74 174.00 2dmf n GLY 130 N -0.04 0.36 3.43 -1.38 0.00 -1.26 -4.90 105.19 101.40 2dmf n GLY 130 Ca -0.10 -0.36 -0.21 0.00 0.00 0.00 0.00 46.02 45.35 2dmf n GLY 130 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2dmf n GLN 131 N 0.00 -7.19 -0.09 1.61 6.02 -1.26 -4.93 117.38 111.54 2dmf n GLN 131 Ca 0.00 0.79 -0.22 0.00 -0.01 0.00 0.00 57.00 57.56 2dmf n GLN 131 Cb 0.00 -5.71 -0.12 0.00 1.02 0.00 0.00 30.24 25.43 2dmf n GLN 131 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 2dmf n SER 132 N -2.87 1.99 0.00 1.08 3.41 -1.26 -5.11 113.62 110.86 2dmf n SER 132 Ca -0.08 0.19 0.00 0.00 -0.26 0.00 0.00 58.87 58.71 2dmf n SER 132 Cb 0.59 -0.75 0.00 0.00 -0.26 0.00 0.00 64.21 63.79 2dmf n SER 132 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dmf n GLY 133 N 1.79 -0.74 3.56 5.00 0.00 -1.26 -4.90 105.19 108.63 2dmf n GLY 133 Ca -0.41 -2.17 -0.31 0.00 0.00 0.00 0.00 46.02 43.13 2dmf n GLY 133 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dmf s PRO 134 N 0.00 2.58 0.17 1.61 0.04 -1.26 -4.84 135.00 133.30 2dmf s PRO 134 Ca 0.00 0.08 -0.15 0.00 0.04 0.00 0.00 61.00 60.97 2dmf s PRO 134 Cb 0.00 -4.79 0.08 0.00 0.04 0.00 0.00 34.50 29.84 2dmf s PRO 134 CO 0.00 -3.12 1.78 1.03 0.04 0.00 0.00 177.00 176.73 2dmf h SER 135 N 12.81 0.33 -3.15 6.66 0.87 -1.98 -3.41 113.55 125.68 2dmf h SER 135 Ca -0.05 0.02 -0.53 0.00 -1.23 0.00 0.00 61.79 60.00 2dmf h SER 135 Cb 1.07 -0.04 0.03 0.00 -0.44 0.00 0.00 62.40 63.02 2dmf h SER 135 CO 1.21 0.24 0.71 -0.44 -0.53 0.00 0.00 176.83 178.02 2dmf s SER 136 N -5.48 6.83 0.00 6.23 0.01 -1.26 -5.28 113.70 114.75 2dmf s SER 136 Ca -0.13 2.39 0.00 0.00 1.31 0.00 0.00 55.95 59.52 2dmf s SER 136 Cb 0.12 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.76 2dmf s SER 136 CO 0.73 -0.62 0.00 0.61 0.41 0.00 0.00 173.24 174.36