#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 -4.50 -4.00 1.61 2.88 -1.26 -5.03 113.62 103.33 2dmf n SER 2 Ca 0.00 -0.39 -0.10 0.00 -1.33 0.00 0.00 58.87 57.05 2dmf n SER 2 Cb 0.00 -3.73 -0.11 0.00 -0.75 0.00 0.00 64.21 59.62 2dmf n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2dmf s SER 3 N -3.38 0.36 0.00 -3.46 0.01 -1.26 -4.87 113.70 101.11 2dmf s SER 3 Ca 0.33 -0.52 0.00 0.00 1.31 0.00 0.00 55.95 57.08 2dmf s SER 3 Cb -0.15 0.09 0.00 0.00 0.21 0.00 0.00 66.02 66.17 2dmf s SER 3 CO 0.52 -0.28 0.00 0.61 0.41 0.00 0.00 173.24 174.49 2dmf n GLY 4 N 1.55 3.05 2.55 3.44 0.00 -1.26 -4.91 105.19 109.62 2dmf n GLY 4 Ca -0.24 -0.40 -0.12 0.00 0.00 0.00 0.00 46.02 45.26 2dmf n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2dmf n SER 5 N 0.00 -4.03 -4.12 1.61 2.88 -1.26 -5.04 113.62 103.66 2dmf n SER 5 Ca 0.00 -0.28 -0.09 0.00 -1.33 0.00 0.00 58.87 57.17 2dmf n SER 5 Cb 0.00 -2.86 -0.10 0.00 -0.75 0.00 0.00 64.21 60.50 2dmf n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2dmf s SER 6 N -3.23 0.76 -0.25 -3.46 0.15 -1.26 -5.17 113.70 101.24 2dmf s SER 6 Ca 0.27 -0.98 -0.35 0.00 0.70 0.00 0.00 55.95 55.59 2dmf s SER 6 Cb -0.12 0.15 0.16 0.00 -1.71 0.00 0.00 66.02 64.50 2dmf s SER 6 CO 0.38 -0.53 1.31 -0.83 1.20 0.00 0.00 173.24 174.77 2dmf s GLY 7 N -2.91 -0.16 0.19 9.45 0.00 -1.26 -4.96 107.32 107.67 2dmf s GLY 7 Ca 0.08 2.05 -0.04 0.00 0.00 0.00 0.00 44.72 46.81 2dmf s GLY 7 CO -0.07 0.74 0.19 1.85 0.00 0.00 0.00 173.10 175.80 2dmf s GLU 8 N -1.87 1.19 0.23 2.90 2.56 -1.26 -5.05 118.70 117.39 2dmf s GLU 8 Ca 0.10 -1.47 0.01 0.00 0.00 0.00 0.00 54.97 53.60 2dmf s GLU 8 Cb -0.01 0.31 0.24 0.00 2.00 0.00 0.00 34.13 36.67 2dmf s GLU 8 CO -0.04 -0.41 1.59 1.49 -0.56 0.00 0.00 175.26 177.33 2dmf h GLU 9 N 2.61 0.45 -6.20 4.30 4.57 -2.07 -3.44 114.58 114.80 2dmf h GLU 9 Ca -0.34 -0.25 -0.52 0.00 -1.18 0.00 0.00 59.36 57.07 2dmf h GLU 9 Cb 1.24 0.01 -0.05 0.00 -0.16 0.00 0.00 28.75 29.79 2dmf h GLU 9 CO 0.51 0.83 -0.54 0.34 -1.18 0.00 0.00 179.01 178.97 2dmf s ASP 10 N -6.88 5.52 -0.29 1.04 -1.08 -1.26 -5.12 116.67 108.59 2dmf s ASP 10 Ca -0.06 -0.22 -0.16 0.00 -0.52 0.00 0.00 52.55 51.59 2dmf s ASP 10 Cb 0.12 -1.41 0.14 0.00 -1.46 0.00 0.00 42.92 40.32 2dmf s ASP 10 CO 0.81 -0.01 0.95 0.86 0.52 0.00 0.00 175.17 178.31 2dmf s TRP 11 N -2.03 -0.64 -0.48 -5.34 -0.00 -1.26 -5.03 118.94 104.16 2dmf s TRP 11 Ca 0.32 1.23 0.24 0.00 -0.00 0.00 0.00 56.10 57.89 2dmf s TRP 11 Cb -0.08 0.38 0.31 0.00 -0.00 0.00 0.00 33.47 34.08 2dmf s TRP 11 CO 0.24 -0.32 1.38 -0.39 -0.00 0.00 0.00 176.95 177.87 2dmf h VAL 12 N 5.11 0.00 -0.51 5.86 -1.51 -1.97 -3.36 116.25 119.87 2dmf h VAL 12 Ca -0.26 -0.77 0.10 0.00 -1.23 0.00 0.00 66.70 64.54 2dmf h VAL 12 Cb 1.18 1.51 -0.09 0.00 -2.13 0.00 0.00 31.29 31.75 2dmf h VAL 12 CO 0.17 0.00 -0.07 0.25 -1.23 0.00 0.00 177.57 176.69 2dmf h LEU 13 N 0.00 -0.37 0.04 4.19 6.46 -1.95 -1.02 115.31 122.67 2dmf h LEU 13 Ca 0.00 0.14 -0.00 0.00 -0.12 0.00 0.00 57.88 57.90 2dmf h LEU 13 Cb 0.89 0.28 0.00 0.00 -0.73 0.00 0.00 40.66 41.09 2dmf h LEU 13 CO 0.00 -0.13 -0.02 1.55 -0.62 0.00 0.00 178.44 179.22 2dmf h PRO 14 N 0.05 -0.06 -1.04 5.25 0.13 -2.00 -2.78 132.00 131.55 2dmf h PRO 14 Ca 0.25 0.00 0.27 0.00 -0.87 0.00 0.00 66.00 65.65 2dmf h PRO 14 Cb 0.39 0.01 -0.10 0.00 0.13 0.00 0.00 31.00 31.44 2dmf h PRO 14 CO -0.49 0.41 0.67 0.77 -0.23 0.00 0.00 178.00 179.13 2dmf h SER 15 N -0.55 0.45 -0.19 1.44 0.02 -1.63 0.24 113.55 113.34 2dmf h SER 15 Ca -0.01 0.09 -0.20 0.00 -0.84 0.00 0.00 61.79 60.83 2dmf h SER 15 Cb 0.49 0.01 0.01 0.00 0.14 0.00 0.00 62.40 63.05 2dmf h SER 15 CO 0.01 0.08 -0.67 -0.08 -1.14 0.00 0.00 176.83 175.04 2dmf h GLU 16 N 0.40 0.78 -0.61 3.45 4.81 -1.17 -3.24 114.58 118.99 2dmf h GLU 16 Ca 0.60 -0.59 -0.02 0.00 -0.13 0.00 0.00 59.36 59.22 2dmf h GLU 16 Cb 1.51 0.11 -0.03 0.00 0.63 0.00 0.00 28.75 30.97 2dmf h GLU 16 CO -0.31 1.21 0.31 0.28 -0.73 0.00 0.00 179.01 179.77 2dmf h VAL 17 N 0.51 1.21 -0.50 0.32 2.07 -0.32 -2.17 116.25 117.37 2dmf h VAL 17 Ca -0.03 -0.56 0.10 0.00 0.82 0.00 0.00 66.70 67.03 2dmf h VAL 17 Cb 1.29 0.45 -0.10 0.00 -1.52 0.00 0.00 31.29 31.41 2dmf h VAL 17 CO 0.14 0.23 -0.20 -0.33 0.02 0.00 0.00 177.57 177.43 2dmf h GLU 18 N 0.84 -0.09 -0.09 1.57 5.08 -1.11 0.16 114.58 120.93 2dmf h GLU 18 Ca 0.21 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.57 2dmf h GLU 18 Cb 0.08 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.35 2dmf h GLU 18 CO -0.03 -0.06 0.02 0.28 -1.00 0.00 0.00 179.01 178.23 2dmf h VAL 19 N -0.09 1.19 0.23 3.13 2.07 -1.57 -3.14 116.25 118.06 2dmf h VAL 19 Ca 0.23 -0.58 0.00 0.00 0.82 0.00 0.00 66.70 67.18 2dmf h VAL 19 Cb 0.45 1.40 -0.04 0.00 -1.52 0.00 0.00 31.29 31.58 2dmf h VAL 19 CO -0.56 0.17 -0.50 -0.07 0.02 0.00 0.00 177.57 176.63 2dmf h LEU 20 N -0.05 -1.47 -1.42 2.57 3.38 -0.68 -0.86 115.31 116.78 2dmf h LEU 20 Ca 0.03 0.14 0.47 0.00 0.09 0.00 0.00 57.88 58.61 2dmf h LEU 20 Cb 0.24 0.53 -0.13 0.00 0.09 0.00 0.00 40.66 41.38 2dmf h LEU 20 CO -0.00 -0.57 0.89 -0.33 0.09 0.00 0.00 178.44 178.53 2dmf h GLU 21 N -0.80 0.03 -0.44 1.13 5.08 -0.76 1.78 114.58 120.60 2dmf h GLU 21 Ca -0.02 -0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.21 2dmf h GLU 21 Cb 0.76 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.99 2dmf h GLU 21 CO -0.21 0.02 -0.21 1.03 -1.00 0.00 0.00 179.01 178.64 2dmf h SER 22 N 0.04 0.91 0.00 1.42 0.87 -1.12 0.32 113.55 115.99 2dmf h SER 22 Ca 0.86 -0.33 -0.04 0.00 -1.23 0.00 0.00 61.79 61.05 2dmf h SER 22 Cb 2.77 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 64.48 2dmf h SER 22 CO -0.43 1.09 -0.45 0.40 -0.53 0.00 0.00 176.83 176.90 2dmf h ILE 23 N 0.77 0.29 -1.79 2.23 2.04 0.27 -3.39 117.51 117.92 2dmf h ILE 23 Ca 0.10 -1.29 -0.75 0.00 1.00 0.00 0.00 64.86 63.92 2dmf h ILE 23 Cb 0.76 0.62 -0.28 0.00 -0.74 0.00 0.00 36.82 37.18 2dmf h ILE 23 CO 0.06 0.10 0.99 -1.22 0.00 0.00 0.00 178.15 178.08 2dmf n TYR 24 N -4.63 3.04 -0.23 1.37 4.01 0.24 -4.76 117.16 116.20 2dmf n TYR 24 Ca -0.09 -2.47 0.01 0.00 -0.16 0.00 0.00 57.90 55.18 2dmf n TYR 24 Cb 0.28 -1.22 0.09 0.00 -0.31 0.00 0.00 39.34 38.18 2dmf n TYR 24 CO 0.00 0.00 0.00 1.37 -0.46 0.00 0.00 176.86 177.77 2dmf h LEU 25 N 2.80 -0.53 0.00 7.72 -0.00 -1.04 -2.34 115.31 121.92 2dmf h LEU 25 Ca 0.57 0.19 -0.26 0.00 -0.00 0.00 0.00 57.88 58.38 2dmf h LEU 25 Cb 0.20 0.38 -0.04 0.00 -0.00 0.00 0.00 40.66 41.20 2dmf h LEU 25 CO 1.46 -0.20 -1.81 -0.90 -0.00 0.00 0.00 178.44 176.99 2dmf n ASP 26 N -5.41 1.53 -0.38 0.17 5.75 -1.26 -4.48 116.55 112.46 2dmf n ASP 26 Ca 0.09 0.26 0.35 0.00 -0.01 0.00 0.00 54.79 55.48 2dmf n ASP 26 Cb 0.36 -0.62 0.54 0.00 -1.03 0.00 0.00 41.12 40.37 2dmf n ASP 26 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 2dmf n GLU 27 N -4.00 0.01 -4.11 0.11 1.02 -1.25 -4.25 120.64 108.17 2dmf n GLU 27 Ca -0.33 0.95 -0.13 0.00 -0.02 0.00 0.00 57.16 57.63 2dmf n GLU 27 Cb 0.69 -2.29 -0.11 0.00 -0.02 0.00 0.00 31.44 29.71 2dmf n GLU 27 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 2dmf s LEU 28 N -6.66 2.34 0.17 -4.62 0.20 -0.88 -2.87 118.68 106.36 2dmf s LEU 28 Ca -0.03 -0.70 0.08 0.00 0.69 0.00 0.00 54.13 54.17 2dmf s LEU 28 Cb 0.17 -0.18 -0.04 0.00 -0.43 0.00 0.00 46.19 45.71 2dmf s LEU 28 CO 0.58 -0.27 -0.18 -1.10 -0.29 0.00 0.00 176.35 175.09 2dmf s GLN 29 N -2.31 1.28 -0.02 1.98 -1.52 0.91 -4.60 119.66 115.39 2dmf s GLN 29 Ca -0.02 -1.42 0.01 0.00 -1.95 0.00 0.00 55.36 51.98 2dmf s GLN 29 Cb -0.05 -1.32 0.01 0.00 -0.22 0.00 0.00 33.01 31.43 2dmf s GLN 29 CO -0.01 0.26 -0.04 0.08 -0.25 0.00 0.00 175.29 175.33 2dmf s VAL 30 N -2.11 0.42 -0.03 1.09 1.01 -1.26 -1.11 120.40 118.40 2dmf s VAL 30 Ca 0.16 -0.14 0.07 0.00 0.00 0.00 0.00 61.98 62.07 2dmf s VAL 30 Cb -0.05 -0.41 -0.02 0.00 0.00 0.00 0.00 36.38 35.89 2dmf s VAL 30 CO 0.07 0.16 -0.24 -0.63 0.00 0.00 0.00 175.10 174.45 2dmf s ILE 31 N 0.40 2.18 -0.29 2.22 -1.09 0.16 -4.97 121.20 119.81 2dmf s ILE 31 Ca -0.05 -1.06 -0.10 0.00 -2.23 0.00 0.00 60.65 57.22 2dmf s ILE 31 Cb -0.08 -1.77 -0.03 0.00 -1.58 0.00 0.00 42.46 39.01 2dmf s ILE 31 CO -0.00 0.58 0.15 -0.54 -1.23 0.00 0.00 174.94 173.89 2dmf s LYS 32 N -0.58 3.60 0.05 2.79 1.02 -1.26 -2.68 119.74 122.68 2dmf s LYS 32 Ca 0.09 -0.54 0.00 0.00 0.02 0.00 0.00 55.97 55.54 2dmf s LYS 32 Cb -0.10 -3.54 0.00 0.00 -0.52 0.00 0.00 37.83 33.66 2dmf s LYS 32 CO -0.00 -0.29 0.00 0.41 -0.92 0.00 0.00 175.35 174.54 2dmf n GLY 33 N 5.00 -4.47 3.15 -3.33 0.00 -1.19 -5.03 105.19 99.31 2dmf n GLY 33 Ca -0.14 -0.33 0.06 0.00 0.00 0.00 0.00 46.02 45.60 2dmf n GLY 33 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2dmf s ASN 34 N -0.30 -0.35 0.00 1.61 2.47 -1.02 -4.91 114.94 112.44 2dmf s ASN 34 Ca 0.00 0.15 0.00 0.00 0.42 0.00 0.00 52.86 53.43 2dmf s ASN 34 Cb 0.00 1.27 0.00 0.00 -1.45 0.00 0.00 41.25 41.07 2dmf s ASN 34 CO 0.00 -0.06 0.00 0.61 -3.72 0.00 0.00 177.10 173.93 2dmf n GLY 35 N 5.36 0.32 0.05 1.21 0.00 -1.26 -3.63 105.19 107.24 2dmf n GLY 35 Ca -0.02 -1.99 -0.02 0.00 0.00 0.00 0.00 46.02 43.99 2dmf n GLY 35 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2dmf h ARG 36 N 0.00 0.00 -0.97 1.61 9.65 -1.98 -3.35 114.38 119.35 2dmf h ARG 36 Ca 0.00 0.00 -0.04 0.00 -1.10 0.00 0.00 59.98 58.84 2dmf h ARG 36 Cb 0.00 0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 28.55 2dmf h ARG 36 CO 0.00 0.00 0.06 -2.37 2.80 0.00 0.00 179.97 180.46 2dmf n THR 37 N -4.57 0.92 -4.26 0.20 5.66 -1.26 -4.85 114.28 106.12 2dmf n THR 37 Ca -0.02 -0.27 -0.30 0.00 -3.05 0.00 0.00 64.05 60.40 2dmf n THR 37 Cb 0.09 -0.70 -0.09 0.00 -1.55 0.00 0.00 70.33 68.09 2dmf n THR 37 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 2dmf n SER 38 N 0.17 0.66 -4.55 1.09 3.41 -1.26 -4.45 113.62 108.70 2dmf n SER 38 Ca 0.07 -1.23 -0.29 0.00 -0.26 0.00 0.00 58.87 57.16 2dmf n SER 38 Cb 0.55 -1.85 0.19 0.00 -0.26 0.00 0.00 64.21 62.84 2dmf n SER 38 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 2dmf s PRO 39 N -7.24 0.08 -0.33 4.33 0.04 -1.24 -4.11 135.00 126.53 2dmf s PRO 39 Ca 0.02 0.40 -0.12 0.00 0.04 0.00 0.00 61.00 61.34 2dmf s PRO 39 Cb -0.01 -1.71 -0.01 0.00 0.04 0.00 0.00 34.50 32.81 2dmf s PRO 39 CO 0.98 -2.94 0.21 -1.58 0.04 0.00 0.00 177.00 173.71 2dmf s TRP 40 N -2.97 3.21 -0.37 0.56 0.52 0.17 -2.43 118.94 117.63 2dmf s TRP 40 Ca 0.66 -0.36 -0.20 0.00 0.02 0.00 0.00 56.10 56.22 2dmf s TRP 40 Cb -0.17 -2.44 0.00 0.00 -1.15 0.00 0.00 33.47 29.71 2dmf s TRP 40 CO 0.57 -0.40 0.61 -2.00 0.02 0.00 0.00 176.95 175.75 2dmf s GLU 41 N 1.68 3.60 -0.10 4.98 2.12 -1.09 -1.82 118.70 128.08 2dmf s GLU 41 Ca 0.05 -0.06 0.03 0.00 0.36 0.00 0.00 54.97 55.36 2dmf s GLU 41 Cb -0.17 -3.83 0.01 0.00 0.26 0.00 0.00 34.13 30.39 2dmf s GLU 41 CO 0.09 -0.76 -0.20 0.42 -0.54 0.00 0.00 175.26 174.27 2dmf s ILE 42 N 2.67 1.76 0.24 -3.70 1.01 -0.76 0.40 121.20 122.82 2dmf s ILE 42 Ca 0.23 -0.83 0.09 0.00 0.00 0.00 0.00 60.65 60.13 2dmf s ILE 42 Cb -0.15 -1.55 -0.04 0.00 0.01 0.00 0.00 42.46 40.73 2dmf s ILE 42 CO 0.15 0.49 0.01 -0.31 0.00 0.00 0.00 174.94 175.29 2dmf s TYR 43 N 0.57 2.77 -0.29 3.97 2.02 -0.27 -0.36 117.35 125.76 2dmf s TYR 43 Ca -0.15 -0.19 -0.15 0.00 -0.37 0.00 0.00 57.07 56.21 2dmf s TYR 43 Cb -0.17 -1.26 0.12 0.00 -0.40 0.00 0.00 41.96 40.25 2dmf s TYR 43 CO 0.05 0.58 0.85 -1.50 -1.57 0.00 0.00 175.55 173.95 2dmf s ILE 44 N -2.13 -0.14 -0.47 2.71 2.07 -1.18 -0.06 121.20 122.00 2dmf s ILE 44 Ca 0.30 0.00 -0.13 0.00 -1.41 0.00 0.00 60.65 59.41 2dmf s ILE 44 Cb -0.07 -1.00 0.09 0.00 0.13 0.00 0.00 42.46 41.61 2dmf s ILE 44 CO 0.20 0.00 0.36 -0.89 -1.91 0.00 0.00 174.94 172.70 2dmf s THR 45 N 1.70 4.79 0.21 4.00 2.01 -1.14 -0.87 115.64 126.35 2dmf s THR 45 Ca -0.08 -1.32 -0.08 0.00 0.31 0.00 0.00 61.69 60.51 2dmf s THR 45 Cb -0.05 -3.94 -0.07 0.00 0.01 0.00 0.00 72.50 68.45 2dmf s THR 45 CO -0.17 -0.62 0.50 -0.76 -0.69 0.00 0.00 174.62 172.87 2dmf s LEU 46 N 1.53 4.19 0.01 4.42 1.43 -1.25 -4.98 118.68 124.04 2dmf s LEU 46 Ca 0.04 0.82 0.02 0.00 -1.03 0.00 0.00 54.13 53.97 2dmf s LEU 46 Cb -0.25 -3.57 -0.01 0.00 0.03 0.00 0.00 46.19 42.39 2dmf s LEU 46 CO 0.04 -0.04 -0.06 -1.00 0.23 0.00 0.00 176.35 175.52 2dmf s HIS 47 N -1.79 0.49 0.68 0.29 3.76 -1.26 -3.74 115.29 113.72 2dmf s HIS 47 Ca 0.45 -0.22 -0.11 0.00 -0.15 0.00 0.00 55.06 55.03 2dmf s HIS 47 Cb -0.11 -0.31 0.17 0.00 1.11 0.00 0.00 32.58 33.44 2dmf s HIS 47 CO 0.23 -0.04 0.61 -0.35 -0.85 0.00 0.00 174.74 174.34 2dmf n PRO 48 N 2.48 -2.20 -3.59 8.40 -0.04 -1.26 -4.96 135.00 133.82 2dmf n PRO 48 Ca -0.16 -0.97 -0.28 0.00 -0.04 0.00 0.00 63.50 62.06 2dmf n PRO 48 Cb 0.57 -0.91 -0.16 0.00 -0.04 0.00 0.00 33.50 32.96 2dmf n PRO 48 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2dmf s ALA 49 N -3.00 0.59 0.16 0.55 0.00 -1.26 -4.89 121.76 113.91 2dmf s ALA 49 Ca 0.39 -0.73 0.08 0.00 0.00 0.00 0.00 51.96 51.70 2dmf s ALA 49 Cb -0.04 -1.22 -0.04 0.00 0.00 0.00 0.00 23.12 21.82 2dmf s ALA 49 CO 0.30 -1.40 -0.16 0.99 0.00 0.00 0.00 175.76 175.49 2dmf s THR 50 N 2.08 1.65 0.59 0.00 2.01 -1.26 -4.97 115.64 115.74 2dmf s THR 50 Ca 0.05 -1.89 -0.19 0.00 0.31 0.00 0.00 61.69 59.97 2dmf s THR 50 Cb -0.16 -1.77 -0.05 0.00 0.01 0.00 0.00 72.50 70.52 2dmf s THR 50 CO -0.22 -0.39 0.98 0.00 -0.69 0.00 0.00 174.62 174.31 2dmf n ALA 51 N 0.28 0.22 -3.03 7.40 0.00 -1.26 -1.44 120.51 122.69 2dmf n ALA 51 Ca -0.13 0.02 -0.11 0.00 0.00 0.00 0.00 53.44 53.22 2dmf n ALA 51 Cb 0.57 -2.12 -0.02 0.00 0.00 0.00 0.00 19.45 17.89 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 -0.95 -2.41 0.00 0.00 1.02 -1.26 -4.54 120.64 112.50 2dmf n GLU 52 Ca 0.13 0.04 0.00 0.00 -0.02 0.00 0.00 57.16 57.31 2dmf n GLU 52 Cb 0.47 -4.56 0.00 0.00 -0.02 0.00 0.00 31.44 27.33 2dmf n GLU 52 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2dmf n ASP 53 N -1.75 1.01 -0.25 1.62 8.00 -0.66 -4.84 116.55 119.68 2dmf n ASP 53 Ca 0.03 0.00 0.12 0.00 0.71 0.00 0.00 54.79 55.65 2dmf n ASP 53 Cb 0.49 0.00 0.24 0.00 -0.02 0.00 0.00 41.12 41.83 2dmf n ASP 53 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2dmf n GLN 54 N -1.75 -0.06 0.11 -1.24 6.02 -0.52 0.87 117.38 120.81 2dmf n GLN 54 Ca 0.00 1.06 -0.14 0.00 -0.01 0.00 0.00 57.00 57.92 2dmf n GLN 54 Cb 0.13 -1.72 -0.07 0.00 1.02 0.00 0.00 30.24 29.60 2dmf n GLN 54 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 177.06 175.61 2dmf h ASP 55 N 0.00 -1.13 -2.54 1.08 3.32 -1.88 -3.43 116.42 111.83 2dmf h ASP 55 Ca 0.46 0.13 -0.45 0.00 0.02 0.00 0.00 57.03 57.18 2dmf h ASP 55 Cb 0.99 0.43 0.07 0.00 0.22 0.00 0.00 39.33 41.04 2dmf h ASP 55 CO -0.66 -0.46 0.08 -0.94 -1.72 0.00 0.00 179.24 175.54 2dmf s SER 56 N -4.74 4.72 -0.12 6.45 1.04 0.25 -5.12 113.70 116.18 2dmf s SER 56 Ca -0.16 -0.11 -0.07 0.00 0.48 0.00 0.00 55.95 56.09 2dmf s SER 56 Cb 0.08 -0.48 0.05 0.00 0.10 0.00 0.00 66.02 65.76 2dmf s SER 56 CO 0.64 -1.58 0.29 0.00 0.98 0.00 0.00 173.24 173.56 2dmf s GLN 57 N -5.03 0.27 0.05 4.02 -2.07 -1.26 -4.87 119.66 110.76 2dmf s GLN 57 Ca 0.62 0.56 0.00 0.00 -1.82 0.00 0.00 55.36 54.72 2dmf s GLN 57 Cb -0.08 -0.04 0.00 0.00 -1.09 0.00 0.00 33.01 31.80 2dmf s GLN 57 CO 0.42 -0.14 0.00 0.98 -1.32 0.00 0.00 175.29 175.24 2dmf n TYR 58 N 3.97 -0.04 -2.65 9.60 9.36 -1.26 -5.05 117.16 131.09 2dmf n TYR 58 Ca -0.22 0.01 -0.40 0.00 3.32 0.00 0.00 57.90 60.60 2dmf n TYR 58 Cb 0.54 0.02 -0.05 0.00 -0.63 0.00 0.00 39.34 39.22 2dmf n TYR 58 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 2dmf s VAL 59 N -1.45 3.97 -0.28 2.97 0.11 -1.26 -4.99 120.40 119.46 2dmf s VAL 59 Ca 0.00 1.89 -0.19 0.00 -2.93 0.00 0.00 61.98 60.75 2dmf s VAL 59 Cb 0.00 -4.20 0.12 0.00 -1.53 0.00 0.00 36.38 30.77 2dmf s VAL 59 CO 0.00 0.41 0.92 0.00 -3.33 0.00 0.00 175.10 173.10 2dmf s PHE 61 N 1.01 2.97 -1.13 0.00 -0.71 -1.25 -3.76 117.98 115.11 2dmf s PHE 61 Ca -0.05 -1.87 -0.23 0.00 -1.04 0.00 0.00 56.93 53.73 2dmf s PHE 61 Cb -0.04 -1.93 -0.09 0.00 -1.21 0.00 0.00 43.02 39.74 2dmf s PHE 61 CO -0.12 -0.83 1.95 0.99 -1.34 0.00 0.00 175.22 175.87 2dmf s THR 62 N 1.23 3.49 -0.56 -4.49 2.01 -1.13 -3.80 115.64 112.38 2dmf s THR 62 Ca -0.00 -0.77 -0.28 0.00 0.31 0.00 0.00 61.69 60.95 2dmf s THR 62 Cb -0.16 -4.42 -0.10 0.00 0.01 0.00 0.00 72.50 67.83 2dmf s THR 62 CO -0.10 -0.91 2.45 -0.11 -0.69 0.00 0.00 174.62 175.26 2dmf n LEU 63 N 14.74 1.96 -4.54 4.42 0.00 -0.05 -3.33 117.00 130.20 2dmf n LEU 63 Ca 0.44 -0.26 -0.42 0.00 0.00 0.00 0.00 56.01 55.78 2dmf n LEU 63 Cb 0.47 -1.43 -0.03 0.00 0.00 0.00 0.00 43.42 42.43 2dmf n LEU 63 CO 0.66 -1.28 1.09 -0.69 0.00 0.00 0.00 177.39 177.16 2dmf s VAL 64 N 10.97 3.87 -0.59 1.96 1.01 -0.55 -3.13 120.40 133.93 2dmf s VAL 64 Ca 1.07 0.38 -0.21 0.00 0.00 0.00 0.00 61.98 63.22 2dmf s VAL 64 Cb -0.46 -4.84 0.07 0.00 0.00 0.00 0.00 36.38 31.15 2dmf s VAL 64 CO 0.33 -1.70 0.82 -0.76 0.00 0.00 0.00 175.10 173.79 2dmf s LEU 65 N 5.33 4.73 -0.38 3.92 1.43 0.51 -2.73 118.68 131.50 2dmf s LEU 65 Ca 0.34 -0.98 -0.15 0.00 -1.03 0.00 0.00 54.13 52.31 2dmf s LEU 65 Cb -0.09 -2.46 0.00 0.00 0.03 0.00 0.00 46.19 43.67 2dmf s LEU 65 CO 0.16 -1.20 0.35 -1.58 0.23 0.00 0.00 176.35 174.31 2dmf s GLN 66 N 3.36 3.30 -0.38 1.70 2.00 -1.11 -1.83 119.66 126.71 2dmf s GLN 66 Ca 0.19 -0.67 -0.12 0.00 -2.00 0.00 0.00 55.36 52.77 2dmf s GLN 66 Cb -0.19 -3.89 0.02 0.00 0.80 0.00 0.00 33.01 29.76 2dmf s GLN 66 CO 0.11 -0.65 0.22 0.08 -0.50 0.00 0.00 175.29 174.55 2dmf s VAL 67 N 1.94 4.70 0.69 1.34 1.01 -0.75 -0.54 120.40 128.79 2dmf s VAL 67 Ca 0.10 -0.81 -0.12 0.00 0.00 0.00 0.00 61.98 61.15 2dmf s VAL 67 Cb -0.17 -3.61 0.17 0.00 0.00 0.00 0.00 36.38 32.77 2dmf s VAL 67 CO 0.12 -0.24 0.61 -0.81 0.00 0.00 0.00 175.10 174.79 2dmf n PRO 68 N 5.03 -2.22 0.08 2.72 -0.04 -1.26 -0.66 135.00 138.65 2dmf n PRO 68 Ca -0.12 -0.98 -0.22 0.00 -0.04 0.00 0.00 63.50 62.14 2dmf n PRO 68 Cb 0.46 -0.92 -0.13 0.00 -0.04 0.00 0.00 33.50 32.87 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 -2.42 -0.00 -0.85 0.55 0.00 -1.90 -3.27 119.26 111.37 2dmf h ALA 69 Ca -0.23 -0.76 0.10 0.00 0.00 0.00 0.00 54.91 54.02 2dmf h ALA 69 Cb 0.71 0.11 -0.06 0.00 0.00 0.00 0.00 17.79 18.54 2dmf h ALA 69 CO 0.15 0.67 0.55 0.93 0.00 0.00 0.00 179.25 181.55 2dmf h GLU 70 N 0.26 0.78 -5.51 0.00 4.39 -1.90 -3.44 114.58 109.16 2dmf h GLU 70 Ca -0.18 -0.05 -0.59 0.00 0.34 0.00 0.00 59.36 58.88 2dmf h GLU 70 Cb 1.88 -0.18 0.12 0.00 -0.10 0.00 0.00 28.75 30.48 2dmf h GLU 70 CO 0.23 0.51 -0.67 0.98 -1.16 0.00 0.00 179.01 178.91 2dmf n TYR 71 N -4.52 -1.14 0.18 4.33 4.19 -1.23 -1.70 117.16 117.26 2dmf n TYR 71 Ca 0.15 0.74 0.04 0.00 3.31 0.00 0.00 57.90 62.14 2dmf n TYR 71 Cb 0.33 -1.72 0.35 0.00 0.49 0.00 0.00 39.34 38.79 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 0.63 0.00 -0.44 2.98 0.13 -1.86 -3.44 132.00 129.99 2dmf h PRO 72 Ca -0.29 0.00 0.17 0.00 -0.87 0.00 0.00 66.00 65.01 2dmf h PRO 72 Cb 1.33 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.37 2dmf h PRO 72 CO 0.48 0.40 0.18 0.72 -0.23 0.00 0.00 178.00 179.55 2dmf n HIS 73 N -3.80 0.46 -4.60 1.56 8.25 -0.69 -3.88 115.22 112.53 2dmf n HIS 73 Ca -0.01 0.53 -0.33 0.00 -0.26 0.00 0.00 57.72 57.65 2dmf n HIS 73 Cb 0.46 -0.94 -0.11 0.00 1.12 0.00 0.00 29.99 30.52 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 -4.82 2.63 0.28 -0.41 2.56 -1.22 -4.70 118.70 113.01 2dmf s GLU 74 Ca -0.04 -0.64 -0.29 0.00 0.00 0.00 0.00 54.97 54.00 2dmf s GLU 74 Cb 0.15 -2.52 -0.09 0.00 2.00 0.00 0.00 34.13 33.66 2dmf s GLU 74 CO 0.35 0.63 0.98 0.14 -0.56 0.00 0.00 175.26 176.80 2dmf s VAL 75 N -0.87 3.98 0.46 3.70 -7.23 -1.25 -3.70 120.40 115.48 2dmf s VAL 75 Ca 0.14 1.88 -0.23 0.00 -1.81 0.00 0.00 61.98 61.96 2dmf s VAL 75 Cb -0.11 -4.15 -0.07 0.00 0.56 0.00 0.00 36.38 32.61 2dmf s VAL 75 CO 0.04 0.36 1.16 -2.16 -0.31 0.00 0.00 175.10 174.19 2dmf s PRO 76 N -1.51 3.75 -0.58 4.82 0.04 -1.26 -4.79 135.00 135.47 2dmf s PRO 76 Ca 0.45 1.77 -0.27 0.00 0.04 0.00 0.00 61.00 62.99 2dmf s PRO 76 Cb -0.25 -2.40 0.03 0.00 0.04 0.00 0.00 34.50 31.92 2dmf s PRO 76 CO 0.31 -0.56 1.12 -0.65 0.04 0.00 0.00 177.00 177.27 2dmf s GLN 77 N -2.71 3.43 -0.12 4.56 -0.21 0.30 -4.81 119.66 120.10 2dmf s GLN 77 Ca 0.64 0.04 -0.21 0.00 0.02 0.00 0.00 55.36 55.84 2dmf s GLN 77 Cb -0.28 -4.04 -0.03 0.00 1.00 0.00 0.00 33.01 29.65 2dmf s GLN 77 CO 0.34 -1.66 0.61 0.42 -2.12 0.00 0.00 175.29 172.89 2dmf s ILE 78 N 4.69 5.08 0.01 1.08 1.01 -1.26 -2.74 121.20 129.08 2dmf s ILE 78 Ca 0.38 1.22 -0.00 0.00 0.00 0.00 0.00 60.65 62.25 2dmf s ILE 78 Cb -0.09 -3.95 -0.01 0.00 0.01 0.00 0.00 42.46 38.42 2dmf s ILE 78 CO 0.22 0.23 -0.02 -0.44 0.00 0.00 0.00 174.94 174.94 2dmf s SER 79 N 0.86 0.14 -0.26 3.58 0.01 -1.10 -4.97 113.70 111.96 2dmf s SER 79 Ca 0.31 -0.30 -0.17 0.00 1.31 0.00 0.00 55.95 57.11 2dmf s SER 79 Cb -0.16 0.06 -0.03 0.00 0.21 0.00 0.00 66.02 66.10 2dmf s SER 79 CO 0.13 -0.18 0.47 -0.63 0.41 0.00 0.00 173.24 173.44 2dmf s ILE 80 N -0.88 5.11 0.25 1.44 -1.09 -1.26 -1.49 121.20 123.28 2dmf s ILE 80 Ca -0.10 0.79 0.09 0.00 -2.23 0.00 0.00 60.65 59.21 2dmf s ILE 80 Cb -0.06 -3.79 -0.04 0.00 -1.58 0.00 0.00 42.46 36.99 2dmf s ILE 80 CO -0.01 0.12 0.01 -0.60 -1.23 0.00 0.00 174.94 173.23 2dmf s ARG 81 N 2.17 2.34 -1.34 2.79 3.52 -1.21 -4.68 118.95 122.53 2dmf s ARG 81 Ca 0.20 -1.34 -0.07 0.00 -0.13 0.00 0.00 55.73 54.38 2dmf s ARG 81 Cb -0.16 -2.22 0.01 0.00 -1.56 0.00 0.00 34.95 31.03 2dmf s ARG 81 CO 0.09 0.38 0.14 0.09 -0.81 0.00 0.00 175.30 175.20 2dmf n ASN 82 N -0.76 -0.16 -4.62 -2.12 3.02 -1.26 -2.84 115.26 106.52 2dmf n ASN 82 Ca -0.07 -1.17 -0.43 0.00 -0.03 0.00 0.00 54.58 52.88 2dmf n ASN 82 Cb 0.58 -1.44 -0.03 0.00 -0.61 0.00 0.00 39.78 38.28 2dmf n ASN 82 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 2dmf s PRO 83 N -7.06 3.68 -0.22 3.52 0.04 -1.26 -4.58 135.00 129.12 2dmf s PRO 83 Ca 0.10 1.55 -0.06 0.00 0.04 0.00 0.00 61.00 62.63 2dmf s PRO 83 Cb -0.06 -4.07 -0.03 0.00 0.04 0.00 0.00 34.50 30.38 2dmf s PRO 83 CO 0.90 -1.44 0.04 0.50 0.04 0.00 0.00 177.00 177.04 2dmf s ARG 84 N 4.91 3.69 0.00 4.56 6.06 -1.25 -4.62 118.95 132.31 2dmf s ARG 84 Ca 0.72 -0.48 0.00 0.00 -2.50 0.00 0.00 55.73 53.48 2dmf s ARG 84 Cb -0.23 -3.19 0.00 0.00 0.06 0.00 0.00 34.95 31.59 2dmf s ARG 84 CO 0.30 -0.02 0.00 0.41 -2.50 0.00 0.00 175.30 173.50 2dmf n GLY 85 N 4.38 1.11 3.73 8.12 0.00 -1.26 -4.25 105.19 117.03 2dmf n GLY 85 Ca -0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.47 2dmf n GLY 85 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2dmf n LEU 86 N 0.00 5.41 -4.65 0.99 4.77 -1.26 -4.98 117.00 117.29 2dmf n LEU 86 Ca 0.00 0.96 -0.25 0.00 -0.03 0.00 0.00 56.01 56.69 2dmf n LEU 86 Cb 0.00 -1.56 -0.08 0.00 -2.33 0.00 0.00 43.42 39.45 2dmf n LEU 86 CO 0.00 -0.69 -0.34 -0.44 -1.33 0.00 0.00 177.39 174.60 2dmf s SER 87 N -0.95 4.65 0.31 -1.43 0.01 -1.26 -4.98 113.70 110.05 2dmf s SER 87 Ca 0.72 -0.50 0.04 0.00 1.31 0.00 0.00 55.95 57.53 2dmf s SER 87 Cb -0.42 -0.93 0.81 0.00 0.21 0.00 0.00 66.02 65.69 2dmf s SER 87 CO 0.49 0.06 1.59 -2.24 0.41 0.00 0.00 173.24 173.55 2dmf h ASP 88 N 2.43 -0.26 0.23 2.44 3.04 -1.99 -0.14 116.42 122.18 2dmf h ASP 88 Ca -0.46 0.25 -0.00 0.00 -3.24 0.00 0.00 57.03 53.58 2dmf h ASP 88 Cb 1.22 0.40 -0.02 0.00 -1.04 0.00 0.00 39.33 39.89 2dmf h ASP 88 CO 0.58 -0.31 -0.33 -0.33 -2.04 0.00 0.00 179.24 176.81 2dmf h GLU 89 N 0.06 -0.56 -0.72 4.15 5.08 -2.00 -0.83 114.58 119.75 2dmf h GLU 89 Ca 0.61 0.04 0.14 0.00 -1.00 0.00 0.00 59.36 59.15 2dmf h GLU 89 Cb 1.31 0.13 -0.09 0.00 0.50 0.00 0.00 28.75 30.60 2dmf h GLU 89 CO -0.83 -0.38 0.26 1.96 -1.00 0.00 0.00 179.01 179.02 2dmf h GLN 90 N -0.58 0.39 -0.73 2.33 4.20 -1.53 -0.61 115.11 118.57 2dmf h GLN 90 Ca -0.03 -0.02 0.11 0.00 0.06 0.00 0.00 58.65 58.77 2dmf h GLN 90 Cb 0.53 -0.09 -0.08 0.00 0.30 0.00 0.00 27.48 28.15 2dmf h GLN 90 CO -0.10 0.26 0.34 0.82 -0.67 0.00 0.00 178.83 179.48 2dmf h ILE 91 N 0.40 0.79 -0.48 2.54 2.04 -0.69 -1.55 117.51 120.55 2dmf h ILE 91 Ca 0.39 -0.19 0.10 0.00 1.00 0.00 0.00 64.86 66.16 2dmf h ILE 91 Cb 0.59 0.18 -0.09 0.00 -0.74 0.00 0.00 36.82 36.77 2dmf h ILE 91 CO -0.41 0.10 -0.07 -0.74 0.00 0.00 0.00 178.15 177.03 2dmf h HIS 92 N 0.56 -0.17 0.71 1.37 2.76 0.36 -2.02 115.15 118.72 2dmf h HIS 92 Ca 0.37 0.04 -0.03 0.00 -2.20 0.00 0.00 60.37 58.55 2dmf h HIS 92 Cb 0.45 0.15 0.01 0.00 1.55 0.00 0.00 27.41 29.57 2dmf h HIS 92 CO -0.12 -0.17 -0.34 1.15 -1.30 0.00 0.00 177.93 177.14 2dmf h THR 93 N 0.04 0.16 -0.89 6.26 2.02 -1.25 -2.02 112.91 117.23 2dmf h THR 93 Ca 0.24 -0.22 0.13 0.00 0.77 0.00 0.00 66.41 67.32 2dmf h THR 93 Cb 0.36 0.20 -0.14 0.00 -1.74 0.00 0.00 68.15 66.84 2dmf h THR 93 CO -0.46 0.02 -0.38 -0.38 0.37 0.00 0.00 175.52 174.68 2dmf n ILE 94 N -5.44 -0.49 0.40 3.11 5.41 -0.67 -0.90 119.36 120.78 2dmf n ILE 94 Ca -0.13 2.09 -0.16 0.00 1.00 0.00 0.00 62.75 65.55 2dmf n ILE 94 Cb 0.39 -2.73 -0.08 0.00 -0.71 0.00 0.00 39.64 36.52 2dmf n ILE 94 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 2dmf h LEU 95 N 0.00 -0.87 -0.87 1.39 3.38 -1.37 -2.12 115.31 114.84 2dmf h LEU 95 Ca 0.28 0.03 0.13 0.00 0.09 0.00 0.00 57.88 58.41 2dmf h LEU 95 Cb 0.50 0.23 -0.14 0.00 0.09 0.00 0.00 40.66 41.33 2dmf h LEU 95 CO -0.87 -0.62 -0.35 0.00 0.09 0.00 0.00 178.44 176.69 2dmf n GLN 96 N -4.77 -0.21 0.15 1.13 1.13 -0.40 -0.34 117.38 114.06 2dmf n GLN 96 Ca -0.13 1.34 -0.09 0.00 -1.94 0.00 0.00 57.00 56.19 2dmf n GLN 96 Cb 0.41 -1.99 -0.05 0.00 0.11 0.00 0.00 30.24 28.72 2dmf n GLN 96 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 2dmf h VAL 97 N 0.00 0.00 -0.90 5.09 2.07 -0.96 -0.73 116.25 120.81 2dmf h VAL 97 Ca 0.29 0.00 0.25 0.00 0.82 0.00 0.00 66.70 68.06 2dmf h VAL 97 Cb 0.51 0.00 -0.16 0.00 -1.52 0.00 0.00 31.29 30.13 2dmf h VAL 97 CO -0.86 0.00 0.15 -0.07 0.02 0.00 0.00 177.57 176.81 2dmf h LEU 98 N -0.49 -0.20 -0.12 2.57 3.38 -0.46 0.14 115.31 120.13 2dmf h LEU 98 Ca -0.03 0.23 0.00 0.00 0.09 0.00 0.00 57.88 58.17 2dmf h LEU 98 Cb 0.42 0.35 -0.01 0.00 0.09 0.00 0.00 40.66 41.52 2dmf h LEU 98 CO -0.01 -0.24 0.08 1.23 0.09 0.00 0.00 178.44 179.58 2dmf h GLY 99 N 0.11 0.17 -0.08 0.83 0.00 -0.37 -2.73 103.07 101.01 2dmf h GLY 99 Ca 0.56 -0.07 0.17 0.00 0.00 0.00 0.00 47.33 48.00 2dmf h GLY 99 CO -0.75 0.06 0.25 0.84 0.00 0.00 0.00 176.54 176.94 2dmf h HIS 100 N 0.15 0.41 -0.85 5.60 -0.00 0.80 0.11 115.15 121.37 2dmf h HIS 100 Ca 0.04 0.04 0.03 0.00 -0.00 0.00 0.00 60.37 60.48 2dmf h HIS 100 Cb -0.00 -0.06 -0.05 0.00 -0.00 0.00 0.00 27.41 27.30 2dmf h HIS 100 CO -0.07 -0.05 0.55 0.28 -0.00 0.00 0.00 177.93 178.64 2dmf h VAL 101 N 0.33 1.15 0.69 5.26 2.07 -1.15 -1.13 116.25 123.47 2dmf h VAL 101 Ca 0.45 -0.37 -0.03 0.00 0.82 0.00 0.00 66.70 67.57 2dmf h VAL 101 Cb 0.79 -0.02 0.01 0.00 -1.52 0.00 0.00 31.29 30.55 2dmf h VAL 101 CO -0.50 0.20 -0.33 0.00 0.02 0.00 0.00 177.57 176.95 2dmf h ALA 102 N 1.34 -1.07 -0.91 1.67 0.00 -0.61 -1.55 119.26 118.13 2dmf h ALA 102 Ca 0.33 -0.20 0.22 0.00 0.00 0.00 0.00 54.91 55.26 2dmf h ALA 102 Cb -0.02 0.36 -0.12 0.00 0.00 0.00 0.00 17.79 18.00 2dmf h ALA 102 CO -0.10 -1.00 0.44 0.87 0.00 0.00 0.00 179.25 179.45 2dmf h LYS 103 N -1.08 0.45 0.00 0.00 1.57 -1.20 0.66 116.57 116.97 2dmf h LYS 103 Ca -0.09 -0.03 -0.05 0.00 -1.87 0.00 0.00 60.65 58.60 2dmf h LYS 103 Cb 0.71 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.91 2dmf h LYS 103 CO 0.16 0.30 -0.26 0.00 -0.57 0.00 0.00 179.45 179.07 2dmf h ALA 104 N 1.70 1.40 -1.07 3.86 0.00 -1.14 -3.01 119.26 120.99 2dmf h ALA 104 Ca 0.57 -0.23 -0.65 0.00 0.00 0.00 0.00 54.91 54.60 2dmf h ALA 104 Cb 1.05 -0.04 -0.35 0.00 0.00 0.00 0.00 17.79 18.45 2dmf h ALA 104 CO -0.50 0.32 0.07 0.41 0.00 0.00 0.00 179.25 179.55 2dmf n GLY 105 N -0.60 5.96 3.76 0.00 0.00 0.23 -5.04 105.19 109.50 2dmf n GLY 105 Ca -0.02 -2.56 -0.30 0.00 0.00 0.00 0.00 46.02 43.14 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 -3.76 2.42 -0.53 0.99 1.43 -0.90 -3.35 118.68 114.97 2dmf s LEU 106 Ca 0.54 1.37 0.00 0.00 -1.03 0.00 0.00 54.13 55.01 2dmf s LEU 106 Cb 0.44 -3.89 0.00 0.00 0.03 0.00 0.00 46.19 42.77 2dmf s LEU 106 CO -0.15 -2.30 0.00 0.61 0.23 0.00 0.00 176.35 174.74 2dmf n GLY 107 N -1.66 0.48 3.53 -3.19 0.00 -1.25 -4.86 105.19 98.23 2dmf n GLY 107 Ca 0.07 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.95 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 -1.31 0.00 0.08 2.61 -4.23 -1.21 -4.92 115.64 106.66 2dmf s THR 108 Ca 0.00 -1.52 -0.31 0.00 -1.18 0.00 0.00 61.69 58.68 2dmf s THR 108 Cb 0.00 -2.66 -0.07 0.00 1.34 0.00 0.00 72.50 71.11 2dmf s THR 108 CO 0.00 0.00 1.38 0.00 -0.54 0.00 0.00 174.62 175.46 2dmf s ALA 109 N -2.98 3.57 0.00 3.99 0.00 -1.26 -4.79 121.76 120.29 2dmf s ALA 109 Ca 0.29 1.04 0.00 0.00 0.00 0.00 0.00 51.96 53.28 2dmf s ALA 109 Cb -0.01 -3.55 0.00 0.00 0.00 0.00 0.00 23.12 19.56 2dmf s ALA 109 CO 0.19 -0.68 0.00 0.00 0.00 0.00 0.00 175.76 175.27 2dmf n MET 110 N 4.33 0.35 -0.22 0.00 3.85 -1.26 -4.84 117.12 119.33 2dmf n MET 110 Ca 0.12 0.00 -0.04 0.00 -1.00 0.00 0.00 57.70 56.78 2dmf n MET 110 Cb 0.43 -0.62 -0.02 0.00 -1.05 0.00 0.00 33.22 31.95 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 -1.44 -0.48 -0.00 3.17 4.77 -1.26 0.13 117.00 121.89 2dmf n LEU 111 Ca 0.00 0.96 -0.10 0.00 -0.03 0.00 0.00 56.01 56.85 2dmf n LEU 111 Cb 0.12 -0.17 -0.03 0.00 -2.33 0.00 0.00 43.42 41.01 2dmf n LEU 111 CO 0.00 -0.82 0.68 0.22 -1.33 0.00 0.00 177.39 176.14 2dmf h TYR 112 N 0.00 -0.72 0.55 -1.77 3.20 -1.91 -2.49 116.97 113.83 2dmf h TYR 112 Ca 0.13 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 62.02 2dmf h TYR 112 Cb 0.27 0.34 -0.02 0.00 1.54 0.00 0.00 36.73 38.86 2dmf h TYR 112 CO -0.53 -0.35 -0.50 0.93 -1.64 0.00 0.00 178.16 176.07 2dmf h GLU 113 N -0.33 -1.00 -0.84 1.82 4.39 0.76 -2.30 114.58 117.08 2dmf h GLU 113 Ca 0.10 0.07 0.21 0.00 0.34 0.00 0.00 59.36 60.08 2dmf h GLU 113 Cb 0.49 0.23 -0.16 0.00 -0.10 0.00 0.00 28.75 29.21 2dmf h GLU 113 CO -0.32 -0.67 -0.07 1.28 -1.16 0.00 0.00 179.01 178.07 2dmf n LEU 114 N -5.52 -0.18 0.43 1.33 4.77 0.29 -0.48 117.00 117.65 2dmf n LEU 114 Ca -0.12 1.43 -0.17 0.00 -0.03 0.00 0.00 56.01 57.12 2dmf n LEU 114 Cb 0.47 -0.49 -0.08 0.00 -2.33 0.00 0.00 43.42 40.99 2dmf n LEU 114 CO 0.27 -1.42 0.50 0.40 -1.33 0.00 0.00 177.39 175.82 2dmf h ILE 115 N 0.00 0.00 -0.98 -0.08 2.04 -1.02 -2.67 117.51 114.79 2dmf h ILE 115 Ca 0.47 -0.05 0.27 0.00 1.00 0.00 0.00 64.86 66.55 2dmf h ILE 115 Cb 0.88 0.00 -0.18 0.00 -0.74 0.00 0.00 36.82 36.78 2dmf h ILE 115 CO -0.82 0.00 0.06 -0.33 0.00 0.00 0.00 178.15 177.06 2dmf h GLU 116 N -1.15 0.02 0.53 2.37 4.39 -0.24 0.84 114.58 121.34 2dmf h GLU 116 Ca -0.11 -0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.57 2dmf h GLU 116 Cb 0.84 -0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.47 2dmf h GLU 116 CO 0.18 0.01 -0.46 -0.22 -1.16 0.00 0.00 179.01 177.37 2dmf h LYS 117 N 0.02 -0.94 -0.95 2.33 1.63 -1.12 -2.69 116.57 114.86 2dmf h LYS 117 Ca 0.61 0.06 0.22 0.00 -0.85 0.00 0.00 60.65 60.69 2dmf h LYS 117 Cb 1.27 0.21 -0.18 0.00 -0.60 0.00 0.00 32.23 32.93 2dmf h LYS 117 CO -0.90 -0.63 -0.12 0.41 -3.45 0.00 0.00 179.45 174.77 2dmf n GLY 118 N -1.55 -1.45 0.49 5.01 0.00 0.27 -0.62 105.19 107.34 2dmf n GLY 118 Ca -0.12 0.98 -0.18 0.00 0.00 0.00 0.00 46.02 46.70 2dmf n GLY 118 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2dmf h LYS 119 N 0.00 -0.94 0.02 1.61 1.57 -1.25 -2.49 116.57 115.09 2dmf h LYS 119 Ca 0.51 0.06 0.03 0.00 -1.87 0.00 0.00 60.65 59.39 2dmf h LYS 119 Cb 0.93 0.21 -0.04 0.00 0.08 0.00 0.00 32.23 33.41 2dmf h LYS 119 CO -0.94 -0.63 -0.26 0.93 -0.57 0.00 0.00 179.45 177.98 2dmf h GLU 120 N -0.98 -0.40 -0.64 3.15 4.39 -0.71 -2.06 114.58 117.33 2dmf h GLU 120 Ca -0.06 0.03 0.06 0.00 0.34 0.00 0.00 59.36 59.73 2dmf h GLU 120 Cb 0.86 0.09 -0.08 0.00 -0.10 0.00 0.00 28.75 29.52 2dmf h GLU 120 CO -0.08 -0.27 -0.38 -0.89 -1.16 0.00 0.00 179.01 176.24 2dmf n ILE 121 N -5.38 -0.43 -0.11 3.13 5.41 0.20 -0.41 119.36 121.77 2dmf n ILE 121 Ca -0.05 2.00 -0.05 0.00 1.00 0.00 0.00 62.75 65.65 2dmf n ILE 121 Cb 0.29 -2.51 0.02 0.00 -0.71 0.00 0.00 39.64 36.73 2dmf n ILE 121 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 176.55 176.80 2dmf h LEU 122 N 0.00 -0.26 -0.88 1.39 6.46 -1.27 -1.45 115.31 119.29 2dmf h LEU 122 Ca 0.10 0.10 0.35 0.00 -0.12 0.00 0.00 57.88 58.32 2dmf h LEU 122 Cb 0.26 0.20 -0.14 0.00 -0.73 0.00 0.00 40.66 40.25 2dmf h LEU 122 CO -0.60 -0.09 0.50 0.41 -0.62 0.00 0.00 178.44 178.04 2dmf n THR 123 N -5.25 -0.32 0.02 1.05 -1.04 0.45 0.86 114.28 110.05 2dmf n THR 123 Ca 0.02 1.63 -0.12 0.00 -2.04 0.00 0.00 64.05 63.54 2dmf n THR 123 Cb 0.21 -2.66 -0.09 0.00 -1.82 0.00 0.00 70.33 65.97 2dmf n THR 123 CO 0.00 0.00 0.00 -0.78 -0.64 0.00 0.00 175.07 173.65 2dmf h ASP 124 N 0.00 -0.10 -3.21 8.00 3.58 -0.99 -3.38 116.42 120.33 2dmf h ASP 124 Ca 0.70 -0.48 -0.75 0.00 0.42 0.00 0.00 57.03 56.92 2dmf h ASP 124 Cb 1.94 0.03 -0.32 0.00 1.72 0.00 0.00 39.33 42.70 2dmf h ASP 124 CO -0.58 0.49 0.27 -0.46 -2.88 0.00 0.00 179.24 176.08 2dmf n ASN 125 N -4.86 5.18 -0.11 2.28 0.23 0.25 -4.75 115.26 113.47 2dmf n ASN 125 Ca -0.08 -3.20 -0.24 0.00 -0.53 0.00 0.00 54.58 50.53 2dmf n ASN 125 Cb 0.29 -1.19 -0.08 0.00 -2.08 0.00 0.00 39.78 36.72 2dmf n ASN 125 CO 0.00 0.00 0.00 -0.46 -0.93 0.00 0.00 177.26 175.87 2dmf n ASN 126 N 2.06 1.65 -3.54 0.53 6.94 -0.93 -4.76 115.26 117.21 2dmf n ASN 126 Ca 0.24 0.25 -0.46 0.00 -0.02 0.00 0.00 54.58 54.59 2dmf n ASN 126 Cb 0.37 -0.65 -0.06 0.00 -2.36 0.00 0.00 39.78 37.08 2dmf n ASN 126 CO 0.00 0.00 0.00 -0.38 -1.03 0.00 0.00 177.26 175.85 2dmf n ILE 127 N -3.96 0.05 0.30 1.53 -0.00 -1.26 -4.80 119.36 111.22 2dmf n ILE 127 Ca -0.44 -0.01 0.17 0.00 -0.00 0.00 0.00 62.75 62.46 2dmf n ILE 127 Cb 0.82 0.00 0.68 0.00 -0.00 0.00 0.00 39.64 41.14 2dmf n ILE 127 CO 0.00 0.00 0.00 1.55 -0.00 0.00 0.00 176.55 178.10 2dmf h PRO 128 N 2.31 0.00 -4.14 0.38 0.13 -1.97 -3.45 132.00 125.26 2dmf h PRO 128 Ca -0.40 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.21 2dmf h PRO 128 Cb 1.13 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.23 2dmf h PRO 128 CO 0.51 0.00 0.93 1.58 -0.23 0.00 0.00 178.00 180.79 2dmf n HIS 129 N -2.95 0.79 -2.52 1.56 -0.00 -1.26 -4.76 115.22 106.07 2dmf n HIS 129 Ca 0.01 0.52 0.00 0.00 -0.00 0.00 0.00 57.72 58.25 2dmf n HIS 129 Cb 0.28 -1.59 0.00 0.00 -0.00 0.00 0.00 29.99 28.68 2dmf n HIS 129 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2dmf n GLY 130 N 5.18 2.00 0.18 1.57 0.00 -1.26 -5.07 105.19 107.79 2dmf n GLY 130 Ca 0.39 -0.72 -0.09 0.00 0.00 0.00 0.00 46.02 45.59 2dmf n GLY 130 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2dmf h GLN 131 N 0.00 -0.34 -6.16 1.61 4.15 -1.95 -3.45 115.11 108.97 2dmf h GLN 131 Ca 0.00 0.02 -0.66 0.00 0.77 0.00 0.00 58.65 58.79 2dmf h GLN 131 Cb 0.00 0.08 0.10 0.00 0.21 0.00 0.00 27.48 27.87 2dmf h GLN 131 CO 0.00 -0.04 -0.25 -1.13 -1.93 0.00 0.00 178.83 175.47 2dmf n SER 132 N -5.02 -0.27 0.00 -0.69 3.41 -1.26 -4.66 113.62 105.14 2dmf n SER 132 Ca -0.07 1.15 0.00 0.00 -0.26 0.00 0.00 58.87 59.69 2dmf n SER 132 Cb 0.23 -1.06 0.00 0.00 -0.26 0.00 0.00 64.21 63.12 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 1.75 0.88 0.18 5.00 0.00 -1.26 -5.02 105.19 106.71 2dmf n GLY 133 Ca 0.15 -0.62 0.03 0.00 0.00 0.00 0.00 46.02 45.58 2dmf n GLY 133 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dmf h PRO 134 N 0.00 0.00 -5.97 1.61 0.13 -2.00 -3.47 132.00 122.31 2dmf h PRO 134 Ca 0.00 0.00 -0.41 0.00 -0.87 0.00 0.00 66.00 64.72 2dmf h PRO 134 Cb 0.00 0.00 0.09 0.00 0.13 0.00 0.00 31.00 31.22 2dmf h PRO 134 CO 0.00 0.43 -0.73 0.43 -0.23 0.00 0.00 178.00 177.91 2dmf n SER 135 N -3.86 -4.97 -4.57 1.44 7.64 -1.26 -4.85 113.62 103.19 2dmf n SER 135 Ca -0.01 -0.64 -0.39 0.00 1.01 0.00 0.00 58.87 58.83 2dmf n SER 135 Cb 0.48 -4.66 -0.03 0.00 -1.01 0.00 0.00 64.21 58.99 2dmf n SER 135 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2dmf s SER 136 N -3.54 5.13 0.00 6.43 0.01 -1.26 -5.35 113.70 115.11 2dmf s SER 136 Ca 0.48 1.11 0.00 0.00 1.31 0.00 0.00 55.95 58.85 2dmf s SER 136 Cb -0.22 -2.51 0.00 0.00 0.21 0.00 0.00 66.02 63.49 2dmf s SER 136 CO 0.76 -2.34 0.00 0.61 0.41 0.00 0.00 173.24 172.68