#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dmf s SER 2 N 0.00 4.84 -1.60 1.61 0.15 -1.26 -4.70 113.70 112.73 2dmf s SER 2 Ca 0.00 -1.42 -0.14 0.00 0.70 0.00 0.00 55.95 55.09 2dmf s SER 2 Cb 0.00 -1.69 0.11 0.00 -1.71 0.00 0.00 66.02 62.73 2dmf s SER 2 CO 0.00 -0.28 0.79 -1.20 1.20 0.00 0.00 173.24 173.75 2dmf n SER 3 N 4.56 -3.27 -4.34 5.45 7.64 -1.26 -4.93 113.62 117.48 2dmf n SER 3 Ca -0.11 -0.94 -0.39 0.00 1.01 0.00 0.00 58.87 58.45 2dmf n SER 3 Cb 0.43 -3.17 -0.12 0.00 -1.01 0.00 0.00 64.21 60.34 2dmf n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2dmf s GLY 4 N -3.48 1.86 0.42 0.23 0.00 -1.26 -5.08 107.32 100.00 2dmf s GLY 4 Ca 0.59 -1.63 -0.24 0.00 0.00 0.00 0.00 44.72 43.44 2dmf s GLY 4 CO 0.89 0.76 1.11 -0.56 0.00 0.00 0.00 173.10 175.30 2dmf s SER 5 N 1.49 6.53 0.34 1.64 0.01 -1.26 -4.61 113.70 117.84 2dmf s SER 5 Ca 0.01 2.20 0.03 0.00 1.31 0.00 0.00 55.95 59.50 2dmf s SER 5 Cb -0.19 -2.60 -0.05 0.00 0.21 0.00 0.00 66.02 63.39 2dmf s SER 5 CO 0.04 -0.66 0.08 -0.44 0.41 0.00 0.00 173.24 172.67 2dmf s SER 6 N -1.39 2.41 -0.01 2.44 0.01 -1.26 -5.09 113.70 110.81 2dmf s SER 6 Ca 0.59 -1.45 -0.21 0.00 1.31 0.00 0.00 55.95 56.20 2dmf s SER 6 Cb -0.26 0.08 0.07 0.00 0.21 0.00 0.00 66.02 66.12 2dmf s SER 6 CO 0.33 -0.69 0.94 0.61 0.41 0.00 0.00 173.24 174.83 2dmf n GLY 7 N -0.73 0.35 3.35 3.44 0.00 -1.26 -5.19 105.19 105.15 2dmf n GLY 7 Ca -0.03 -1.00 -0.18 0.00 0.00 0.00 0.00 46.02 44.81 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 -2.01 1.84 -0.15 1.61 0.41 -1.26 -5.09 118.70 114.04 2dmf s GLU 8 Ca 0.22 -1.97 -0.18 0.00 -0.41 0.00 0.00 54.97 52.63 2dmf s GLU 8 Cb -0.01 0.37 -0.15 0.00 -1.78 0.00 0.00 34.13 32.55 2dmf s GLU 8 CO -0.00 -0.71 0.30 0.93 -0.49 0.00 0.00 175.26 175.29 2dmf h GLU 9 N 2.10 0.00 -4.94 1.61 5.08 -2.06 -3.48 114.58 112.89 2dmf h GLU 9 Ca -0.26 0.00 -0.35 0.00 -1.00 0.00 0.00 59.36 57.76 2dmf h GLU 9 Cb 1.23 0.00 -0.22 0.00 0.50 0.00 0.00 28.75 30.27 2dmf h GLU 9 CO 0.36 0.66 -0.76 -0.51 -1.00 0.00 0.00 179.01 177.77 2dmf s ASP 10 N -6.22 1.25 -0.29 1.42 1.01 -1.26 -5.15 116.67 107.43 2dmf s ASP 10 Ca -0.18 -0.56 -0.15 0.00 0.71 0.00 0.00 52.55 52.37 2dmf s ASP 10 Cb 0.01 -0.01 0.11 0.00 1.01 0.00 0.00 42.92 44.04 2dmf s ASP 10 CO 0.46 -0.13 0.78 0.86 0.21 0.00 0.00 175.17 177.35 2dmf s TRP 11 N -1.26 -0.96 -0.63 4.23 -0.00 -1.26 -5.03 118.94 114.02 2dmf s TRP 11 Ca -0.05 1.85 0.23 0.00 -0.00 0.00 0.00 56.10 58.13 2dmf s TRP 11 Cb -0.10 0.58 0.18 0.00 -0.00 0.00 0.00 33.47 34.13 2dmf s TRP 11 CO 0.01 -0.48 1.15 1.33 -0.00 0.00 0.00 176.95 178.97 2dmf n VAL 12 N 4.44 0.24 0.19 5.86 0.24 -1.26 -3.82 118.33 124.22 2dmf n VAL 12 Ca -0.17 -0.25 -0.15 0.00 -2.04 0.00 0.00 64.34 61.73 2dmf n VAL 12 Cb 0.56 0.07 -0.08 0.00 -1.47 0.00 0.00 33.84 32.92 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 -0.37 -0.41 1.34 7.12 -1.96 -1.72 115.31 119.31 2dmf h LEU 13 Ca 0.00 -0.04 -0.16 0.00 0.13 0.00 0.00 57.88 57.81 2dmf h LEU 13 Cb 0.73 0.10 -0.01 0.00 -0.53 0.00 0.00 40.66 40.95 2dmf h LEU 13 CO 0.00 -0.19 -0.38 1.55 -0.13 0.00 0.00 178.44 179.28 2dmf h PRO 14 N -0.52 0.92 -0.83 5.25 0.13 -2.00 -2.68 132.00 132.26 2dmf h PRO 14 Ca -0.04 -0.48 0.02 0.00 -0.87 0.00 0.00 66.00 64.63 2dmf h PRO 14 Cb 0.39 0.02 -0.05 0.00 0.13 0.00 0.00 31.00 31.49 2dmf h PRO 14 CO 0.07 1.14 0.55 1.03 -0.23 0.00 0.00 178.00 180.56 2dmf h SER 15 N 0.75 0.92 0.32 1.44 0.87 -1.65 -2.67 113.55 113.53 2dmf h SER 15 Ca 0.06 -0.02 -0.02 0.00 -1.23 0.00 0.00 61.79 60.59 2dmf h SER 15 Cb 0.98 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 62.72 2dmf h SER 15 CO 0.09 0.64 -0.15 -0.08 -0.53 0.00 0.00 176.83 176.80 2dmf h GLU 16 N 1.07 -0.41 -0.99 2.24 4.22 -1.25 -3.23 114.58 116.23 2dmf h GLU 16 Ca 0.32 0.03 0.35 0.00 0.08 0.00 0.00 59.36 60.14 2dmf h GLU 16 Cb -0.03 0.09 -0.17 0.00 0.50 0.00 0.00 28.75 29.15 2dmf h GLU 16 CO -0.09 -0.09 0.43 0.28 -2.18 0.00 0.00 179.01 177.36 2dmf h VAL 17 N -0.94 0.11 -0.86 0.32 2.07 -1.35 0.47 116.25 116.08 2dmf h VAL 17 Ca -0.04 -0.04 0.22 0.00 0.82 0.00 0.00 66.70 67.66 2dmf h VAL 17 Cb 0.51 -0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 30.14 2dmf h VAL 17 CO 0.07 0.02 0.20 -0.33 0.02 0.00 0.00 177.57 177.55 2dmf h GLU 18 N 0.10 0.19 0.08 1.57 5.08 -1.49 0.12 114.58 120.24 2dmf h GLU 18 Ca 0.75 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 59.09 2dmf h GLU 18 Cb 1.81 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 31.02 2dmf h GLU 18 CO -0.74 0.13 -0.04 0.28 -1.00 0.00 0.00 179.01 177.64 2dmf h VAL 19 N 0.20 1.18 -0.31 3.13 2.07 -0.19 -3.29 116.25 119.04 2dmf h VAL 19 Ca 0.52 -1.10 0.07 0.00 0.82 0.00 0.00 66.70 67.01 2dmf h VAL 19 Cb 1.03 1.87 -0.08 0.00 -1.52 0.00 0.00 31.29 32.59 2dmf h VAL 19 CO -0.65 0.26 -0.33 -0.07 0.02 0.00 0.00 177.57 176.81 2dmf h LEU 20 N -0.63 -1.06 -1.86 2.57 3.38 -0.99 0.19 115.31 116.90 2dmf h LEU 20 Ca -0.01 0.18 0.47 0.00 0.09 0.00 0.00 57.88 58.60 2dmf h LEU 20 Cb 0.52 0.48 -0.08 0.00 0.09 0.00 0.00 40.66 41.67 2dmf h LEU 20 CO 0.02 -0.33 1.11 -0.33 0.09 0.00 0.00 178.44 179.00 2dmf h GLU 21 N -0.30 0.03 -0.05 1.13 5.08 -0.90 1.48 114.58 121.06 2dmf h GLU 21 Ca 0.14 -0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 58.27 2dmf h GLU 21 Cb 0.54 -0.01 0.01 0.00 0.50 0.00 0.00 28.75 29.79 2dmf h GLU 21 CO -0.47 0.02 -0.90 0.77 -1.00 0.00 0.00 179.01 177.43 2dmf h SER 22 N 0.03 0.72 0.00 1.42 0.02 -0.69 -1.81 113.55 113.23 2dmf h SER 22 Ca 0.79 -0.53 0.00 0.00 -0.84 0.00 0.00 61.79 61.21 2dmf h SER 22 Cb 3.00 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 65.33 2dmf h SER 22 CO -0.10 1.32 -0.34 0.40 -1.14 0.00 0.00 176.83 176.98 2dmf h ILE 23 N 0.35 0.00 -0.53 3.27 2.04 0.19 -3.38 117.51 119.45 2dmf h ILE 23 Ca -0.08 -0.92 -0.32 0.00 1.00 0.00 0.00 64.86 64.54 2dmf h ILE 23 Cb 1.53 0.00 -0.16 0.00 -0.74 0.00 0.00 36.82 37.45 2dmf h ILE 23 CO 0.17 0.00 0.41 -1.22 0.00 0.00 0.00 178.15 177.51 2dmf n TYR 24 N -4.47 1.69 -0.33 1.37 4.01 0.26 -4.65 117.16 115.04 2dmf n TYR 24 Ca -0.05 -1.68 0.10 0.00 -0.16 0.00 0.00 57.90 56.11 2dmf n TYR 24 Cb 0.18 -0.83 0.20 0.00 -0.31 0.00 0.00 39.34 38.58 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 -0.06 -0.22 -0.07 7.72 -0.00 -0.68 -0.82 117.00 122.87 2dmf n LEU 25 Ca 0.33 1.58 -0.09 0.00 -0.00 0.00 0.00 56.01 57.83 2dmf n LEU 25 Cb 0.84 -0.53 -0.06 0.00 -0.00 0.00 0.00 43.42 43.67 2dmf n LEU 25 CO 0.38 -1.56 -0.94 -0.90 -0.00 0.00 0.00 177.39 174.37 2dmf n ASP 26 N -5.43 2.92 0.22 1.45 5.75 -1.26 -4.49 116.55 115.70 2dmf n ASP 26 Ca 0.18 -0.07 0.09 0.00 -0.01 0.00 0.00 54.79 54.99 2dmf n ASP 26 Cb 0.59 -0.22 0.48 0.00 -1.03 0.00 0.00 41.12 40.95 2dmf n ASP 26 CO 0.00 0.00 0.00 -0.33 -0.11 0.00 0.00 177.20 176.76 2dmf h GLU 27 N -0.01 0.00 -3.70 0.11 5.08 -1.82 -3.40 114.58 110.84 2dmf h GLU 27 Ca -0.30 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 57.92 2dmf h GLU 27 Cb 1.46 0.00 -0.19 0.00 0.50 0.00 0.00 28.75 30.52 2dmf h GLU 27 CO -0.05 0.00 -0.52 -1.17 -1.00 0.00 0.00 179.01 176.27 2dmf s LEU 28 N -4.60 1.73 -0.05 1.33 0.20 -0.00 -4.11 118.68 113.19 2dmf s LEU 28 Ca -0.02 -0.41 0.06 0.00 0.69 0.00 0.00 54.13 54.45 2dmf s LEU 28 Cb 0.05 0.60 -0.01 0.00 -0.43 0.00 0.00 46.19 46.40 2dmf s LEU 28 CO 0.16 -0.44 -0.22 -1.10 -0.29 0.00 0.00 176.35 174.45 2dmf s GLN 29 N -2.07 2.23 -0.08 1.98 1.11 -0.83 -4.61 119.66 117.37 2dmf s GLN 29 Ca -0.09 -0.80 0.03 0.00 0.01 0.00 0.00 55.36 54.51 2dmf s GLN 29 Cb -0.04 -1.93 0.00 0.00 -1.01 0.00 0.00 33.01 30.04 2dmf s GLN 29 CO -0.02 0.35 -0.19 0.08 0.01 0.00 0.00 175.29 175.52 2dmf s VAL 30 N -0.15 1.69 0.14 1.09 1.01 -1.26 -1.91 120.40 121.01 2dmf s VAL 30 Ca -0.02 -0.81 0.10 0.00 0.00 0.00 0.00 61.98 61.25 2dmf s VAL 30 Cb -0.12 -1.49 -0.04 0.00 0.00 0.00 0.00 36.38 34.73 2dmf s VAL 30 CO 0.03 0.48 -0.23 -0.63 0.00 0.00 0.00 175.10 174.74 2dmf s ILE 31 N 0.45 2.03 0.01 2.22 1.01 -0.54 -5.04 121.20 121.33 2dmf s ILE 31 Ca -0.17 -1.76 0.05 0.00 0.00 0.00 0.00 60.65 58.77 2dmf s ILE 31 Cb -0.17 -1.85 -0.03 0.00 0.01 0.00 0.00 42.46 40.42 2dmf s ILE 31 CO 0.07 -0.06 -0.13 -0.54 0.00 0.00 0.00 174.94 174.28 2dmf s LYS 32 N -2.23 2.34 0.41 2.79 1.02 -1.26 -3.19 119.74 119.61 2dmf s LYS 32 Ca 0.13 -0.83 0.00 0.00 0.02 0.00 0.00 55.97 55.29 2dmf s LYS 32 Cb -0.09 -2.35 0.00 0.00 -0.52 0.00 0.00 37.83 34.87 2dmf s LYS 32 CO 0.06 0.58 0.00 0.41 -0.92 0.00 0.00 175.35 175.48 2dmf n GLY 33 N 1.70 -5.06 1.66 -3.33 0.00 -1.25 -5.01 105.19 93.90 2dmf n GLY 33 Ca -0.16 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.41 2dmf n GLY 33 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2dmf n ASN 34 N 0.39 0.18 0.00 1.61 5.15 -1.23 -4.89 115.26 116.47 2dmf n ASN 34 Ca 0.00 0.25 0.00 0.00 -0.60 0.00 0.00 54.58 54.23 2dmf n ASN 34 Cb 0.00 0.11 0.00 0.00 -0.53 0.00 0.00 39.78 39.36 2dmf n ASN 34 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2dmf n GLY 35 N 2.15 4.18 0.00 8.20 0.00 -1.26 -4.97 105.19 113.49 2dmf n GLY 35 Ca 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.49 2dmf n GLY 35 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dmf n ARG 36 N 0.00 0.00 0.07 1.61 3.00 -1.26 -3.65 116.66 116.43 2dmf n ARG 36 Ca 0.00 0.25 0.04 0.00 -0.01 0.00 0.00 57.85 58.13 2dmf n ARG 36 Cb 0.00 -0.91 0.20 0.00 0.00 0.00 0.00 32.46 31.75 2dmf n ARG 36 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.63 177.88 2dmf n THR 37 N -1.26 1.24 -3.48 0.55 -2.24 -1.26 -4.81 114.28 103.02 2dmf n THR 37 Ca 0.00 0.60 -0.20 0.00 -2.27 0.00 0.00 64.05 62.19 2dmf n THR 37 Cb 0.00 -1.60 0.06 0.00 -2.10 0.00 0.00 70.33 66.69 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 -1.72 -3.89 -4.77 3.42 7.64 -1.24 -4.75 113.62 108.31 2dmf n SER 38 Ca -0.00 -0.76 -0.33 0.00 1.01 0.00 0.00 58.87 58.79 2dmf n SER 38 Cb 0.14 -4.62 0.06 0.00 -1.01 0.00 0.00 64.21 58.78 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 -5.28 2.69 -0.26 1.43 0.04 -1.26 -4.26 135.00 128.11 2dmf s PRO 39 Ca 0.23 1.35 -0.13 0.00 0.04 0.00 0.00 61.00 62.49 2dmf s PRO 39 Cb -0.05 -1.94 -0.04 0.00 0.04 0.00 0.00 34.50 32.51 2dmf s PRO 39 CO 0.77 -1.33 0.27 -1.58 0.04 0.00 0.00 177.00 175.17 2dmf s TRP 40 N -2.44 3.27 -0.12 0.56 0.52 -0.40 -3.58 118.94 116.75 2dmf s TRP 40 Ca 0.66 0.30 -0.09 0.00 0.02 0.00 0.00 56.10 56.99 2dmf s TRP 40 Cb -0.20 -2.44 -0.04 0.00 -1.15 0.00 0.00 33.47 29.64 2dmf s TRP 40 CO 0.44 -0.11 0.19 -2.00 0.02 0.00 0.00 176.95 175.48 2dmf s GLU 41 N 1.65 3.65 -0.04 4.98 2.56 -1.19 0.06 118.70 130.36 2dmf s GLU 41 Ca 0.11 -0.05 -0.02 0.00 0.00 0.00 0.00 54.97 55.01 2dmf s GLU 41 Cb -0.15 -3.24 0.03 0.00 2.00 0.00 0.00 34.13 32.77 2dmf s GLU 41 CO 0.09 0.68 0.05 0.42 -0.56 0.00 0.00 175.26 175.93 2dmf s ILE 42 N -0.78 -0.04 0.16 -3.70 1.01 0.08 -1.47 121.20 116.47 2dmf s ILE 42 Ca 0.15 0.36 0.05 0.00 0.00 0.00 0.00 60.65 61.22 2dmf s ILE 42 Cb -0.13 -0.19 -0.04 0.00 0.01 0.00 0.00 42.46 42.11 2dmf s ILE 42 CO 0.05 0.18 0.10 -0.31 0.00 0.00 0.00 174.94 174.95 2dmf s TYR 43 N 2.00 3.07 -0.28 3.97 1.51 -0.80 -0.08 117.35 126.74 2dmf s TYR 43 Ca 0.03 -0.04 -0.23 0.00 -1.01 0.00 0.00 57.07 55.81 2dmf s TYR 43 Cb -0.12 -1.48 0.10 0.00 -0.11 0.00 0.00 41.96 40.34 2dmf s TYR 43 CO -0.03 0.52 0.86 -1.50 -1.11 0.00 0.00 175.55 174.29 2dmf s ILE 44 N -1.72 0.00 -0.28 2.71 2.07 -1.15 -1.96 121.20 120.88 2dmf s ILE 44 Ca 0.30 0.00 -0.05 0.00 -1.41 0.00 0.00 60.65 59.49 2dmf s ILE 44 Cb -0.10 -1.00 0.01 0.00 0.13 0.00 0.00 42.46 41.50 2dmf s ILE 44 CO 0.22 0.00 0.03 -0.89 -1.91 0.00 0.00 174.94 172.39 2dmf s THR 45 N 0.52 3.62 0.39 4.00 2.01 -1.26 0.35 115.64 125.27 2dmf s THR 45 Ca -0.00 -0.78 -0.08 0.00 0.31 0.00 0.00 61.69 61.13 2dmf s THR 45 Cb -0.05 -2.85 -0.06 0.00 0.01 0.00 0.00 72.50 69.55 2dmf s THR 45 CO -0.05 0.13 0.72 -0.76 -0.69 0.00 0.00 174.62 173.97 2dmf s LEU 46 N 1.45 3.86 -0.03 4.42 1.02 -1.19 -4.95 118.68 123.25 2dmf s LEU 46 Ca 0.02 1.00 -0.09 0.00 0.02 0.00 0.00 54.13 55.09 2dmf s LEU 46 Cb -0.17 -3.88 0.01 0.00 0.02 0.00 0.00 46.19 42.17 2dmf s LEU 46 CO 0.00 -0.38 0.20 -1.00 0.02 0.00 0.00 176.35 175.19 2dmf s HIS 47 N -2.36 -0.09 1.17 0.29 3.76 -1.26 -3.78 115.29 113.02 2dmf s HIS 47 Ca 0.49 0.17 -0.18 0.00 -0.15 0.00 0.00 55.06 55.39 2dmf s HIS 47 Cb -0.10 0.02 0.27 0.00 1.11 0.00 0.00 32.58 33.88 2dmf s HIS 47 CO 0.33 -0.25 1.11 -1.25 -0.85 0.00 0.00 174.74 173.82 2dmf s PRO 48 N -0.90 -0.99 -0.02 8.40 0.04 -1.26 -4.88 135.00 135.39 2dmf s PRO 48 Ca -0.10 0.02 0.01 0.00 0.04 0.00 0.00 61.00 60.96 2dmf s PRO 48 Cb -0.05 -1.62 0.02 0.00 0.04 0.00 0.00 34.50 32.89 2dmf s PRO 48 CO 0.02 -3.58 -0.01 0.00 0.04 0.00 0.00 177.00 173.47 2dmf s ALA 49 N -3.00 0.28 0.21 8.56 0.00 -1.26 -5.04 121.76 121.52 2dmf s ALA 49 Ca 0.70 0.06 -0.05 0.00 0.00 0.00 0.00 51.96 52.68 2dmf s ALA 49 Cb -0.11 -0.22 -0.03 0.00 0.00 0.00 0.00 23.12 22.76 2dmf s ALA 49 CO 0.56 -0.02 0.23 0.95 0.00 0.00 0.00 175.76 177.49 2dmf s THR 50 N 0.61 0.00 1.43 0.00 -4.23 -1.26 -5.03 115.64 107.16 2dmf s THR 50 Ca -0.06 -1.81 -0.24 0.00 -1.18 0.00 0.00 61.69 58.40 2dmf s THR 50 Cb -0.09 -2.40 0.37 0.00 1.34 0.00 0.00 72.50 71.73 2dmf s THR 50 CO -0.01 -0.01 0.86 0.00 -0.54 0.00 0.00 174.62 174.92 2dmf n ALA 51 N -0.30 -5.08 -0.86 3.99 0.00 -1.26 -4.80 120.51 112.19 2dmf n ALA 51 Ca 0.01 -1.51 -0.09 0.00 0.00 0.00 0.00 53.44 51.85 2dmf n ALA 51 Cb 0.65 -0.13 -0.10 0.00 0.00 0.00 0.00 19.45 19.86 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 -5.71 1.70 -0.10 0.00 1.02 -1.26 -3.90 120.64 112.39 2dmf n GLU 52 Ca 0.14 -0.77 -0.15 0.00 -0.02 0.00 0.00 57.16 56.36 2dmf n GLU 52 Cb 0.59 -1.68 -0.09 0.00 -0.02 0.00 0.00 31.44 30.24 2dmf n GLU 52 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 2dmf n ASP 53 N 2.04 2.33 -3.93 1.62 -0.08 -1.26 -4.97 116.55 112.31 2dmf n ASP 53 Ca 0.29 -0.05 -0.26 0.00 -1.51 0.00 0.00 54.79 53.27 2dmf n ASP 53 Cb 0.76 -0.35 -0.17 0.00 2.34 0.00 0.00 41.12 43.70 2dmf n ASP 53 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2dmf s GLN 54 N -2.38 1.52 -0.79 -0.67 -2.07 -1.25 -5.08 119.66 108.93 2dmf s GLN 54 Ca -0.26 -0.28 -0.02 0.00 -1.82 0.00 0.00 55.36 52.98 2dmf s GLN 54 Cb 0.07 -1.51 0.20 0.00 -1.09 0.00 0.00 33.01 30.68 2dmf s GLN 54 CO 0.43 -0.20 0.65 -0.51 -1.32 0.00 0.00 175.29 174.34 2dmf s ASP 55 N 1.46 5.66 -0.22 12.60 1.01 -1.26 -4.92 116.67 131.00 2dmf s ASP 55 Ca 0.00 -3.44 -0.27 0.00 0.71 0.00 0.00 52.55 49.55 2dmf s ASP 55 Cb -0.13 -1.87 0.11 0.00 1.01 0.00 0.00 42.92 42.04 2dmf s ASP 55 CO -0.05 -0.24 0.96 -0.94 0.21 0.00 0.00 175.17 175.11 2dmf s SER 56 N 0.05 -0.47 -0.24 0.27 1.04 -1.26 -5.15 113.70 107.94 2dmf s SER 56 Ca 0.24 0.74 -0.07 0.00 0.48 0.00 0.00 55.95 57.34 2dmf s SER 56 Cb -0.11 0.70 -0.03 0.00 0.10 0.00 0.00 66.02 66.68 2dmf s SER 56 CO -0.10 -0.27 0.06 -1.10 0.98 0.00 0.00 173.24 172.81 2dmf s GLN 57 N -0.35 3.63 0.01 4.02 -1.52 -1.26 -4.94 119.66 119.25 2dmf s GLN 57 Ca -0.00 -0.49 -0.01 0.00 -1.95 0.00 0.00 55.36 52.90 2dmf s GLN 57 Cb -0.03 -3.28 -0.01 0.00 -0.22 0.00 0.00 33.01 29.47 2dmf s GLN 57 CO -0.01 -0.18 -0.03 0.98 -0.25 0.00 0.00 175.29 175.80 2dmf n TYR 58 N 4.88 0.00 -3.15 0.91 9.36 -1.26 -5.02 117.16 122.88 2dmf n TYR 58 Ca -0.16 0.00 -0.39 0.00 3.32 0.00 0.00 57.90 60.66 2dmf n TYR 58 Cb 0.51 -0.06 -0.05 0.00 -0.63 0.00 0.00 39.34 39.11 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 -2.05 5.09 -0.18 2.97 0.11 -1.26 -4.83 120.40 120.24 2dmf s VAL 59 Ca -0.03 1.21 -0.28 0.00 -2.93 0.00 0.00 61.98 59.96 2dmf s VAL 59 Cb 0.01 -3.94 0.09 0.00 -1.53 0.00 0.00 36.38 31.01 2dmf s VAL 59 CO 0.04 0.24 0.83 0.00 -3.33 0.00 0.00 175.10 172.87 2dmf s PHE 61 N -0.44 1.06 -1.10 0.00 -0.71 -1.25 -2.89 117.98 112.65 2dmf s PHE 61 Ca -0.03 -0.47 -0.23 0.00 -1.04 0.00 0.00 56.93 55.16 2dmf s PHE 61 Cb -0.03 -1.01 -0.05 0.00 -1.21 0.00 0.00 43.02 40.73 2dmf s PHE 61 CO 0.02 -0.43 1.88 0.99 -1.34 0.00 0.00 175.22 176.35 2dmf s THR 62 N 1.85 3.61 -0.39 -4.49 2.01 -1.01 -3.19 115.64 114.03 2dmf s THR 62 Ca 0.05 -0.86 -0.28 0.00 0.31 0.00 0.00 61.69 60.91 2dmf s THR 62 Cb -0.13 -4.51 -0.07 0.00 0.01 0.00 0.00 72.50 67.80 2dmf s THR 62 CO -0.07 -1.16 2.34 -0.11 -0.69 0.00 0.00 174.62 174.92 2dmf n LEU 63 N 13.19 2.61 -4.66 4.42 0.00 0.16 -2.46 117.00 130.26 2dmf n LEU 63 Ca 0.43 -0.14 -0.42 0.00 0.00 0.00 0.00 56.01 55.89 2dmf n LEU 63 Cb 0.47 -1.53 -0.04 0.00 0.00 0.00 0.00 43.42 42.32 2dmf n LEU 63 CO 0.66 -1.13 0.69 -0.69 0.00 0.00 0.00 177.39 176.92 2dmf s VAL 64 N 10.21 4.82 -0.35 1.96 1.01 0.33 -2.92 120.40 135.47 2dmf s VAL 64 Ca 1.02 1.68 0.00 0.00 0.00 0.00 0.00 61.98 64.67 2dmf s VAL 64 Cb -0.33 -4.16 0.09 0.00 0.00 0.00 0.00 36.38 31.98 2dmf s VAL 64 CO 0.32 -0.06 0.08 -0.76 0.00 0.00 0.00 175.10 174.68 2dmf s LEU 65 N 2.66 4.63 -0.43 3.92 1.43 0.89 -2.30 118.68 129.47 2dmf s LEU 65 Ca 0.38 -1.86 -0.15 0.00 -1.03 0.00 0.00 54.13 51.47 2dmf s LEU 65 Cb -0.16 -1.71 0.03 0.00 0.03 0.00 0.00 46.19 44.39 2dmf s LEU 65 CO 0.09 -0.39 0.33 -1.58 0.23 0.00 0.00 176.35 175.03 2dmf s GLN 66 N 1.08 2.98 -0.45 1.70 0.74 -1.12 -0.74 119.66 123.84 2dmf s GLN 66 Ca 0.05 -1.10 -0.24 0.00 0.05 0.00 0.00 55.36 54.12 2dmf s GLN 66 Cb -0.21 -4.02 0.03 0.00 1.10 0.00 0.00 33.01 29.91 2dmf s GLN 66 CO -0.05 -0.83 0.85 0.08 -0.55 0.00 0.00 175.29 174.79 2dmf s VAL 67 N 1.69 4.57 1.17 1.34 1.01 0.11 -1.12 120.40 129.17 2dmf s VAL 67 Ca 0.05 0.58 -0.18 0.00 0.00 0.00 0.00 61.98 62.43 2dmf s VAL 67 Cb -0.20 -4.37 0.27 0.00 0.00 0.00 0.00 36.38 32.08 2dmf s VAL 67 CO 0.09 -0.76 1.11 -2.16 0.00 0.00 0.00 175.10 173.38 2dmf s PRO 68 N 3.49 -0.93 0.41 2.72 0.04 -1.26 -1.27 135.00 138.20 2dmf s PRO 68 Ca 0.33 0.03 0.22 0.00 0.04 0.00 0.00 61.00 61.63 2dmf s PRO 68 Cb -0.11 -1.62 0.78 0.00 0.04 0.00 0.00 34.50 33.58 2dmf s PRO 68 CO 0.24 -3.54 1.77 0.00 0.04 0.00 0.00 177.00 175.51 2dmf h ALA 69 N -2.46 0.98 -0.01 8.56 0.00 -1.91 -3.11 119.26 121.31 2dmf h ALA 69 Ca -0.47 -0.25 -0.25 0.00 0.00 0.00 0.00 54.91 53.94 2dmf h ALA 69 Cb 1.30 -0.04 0.02 0.00 0.00 0.00 0.00 17.79 19.06 2dmf h ALA 69 CO 0.39 0.34 -1.01 0.93 0.00 0.00 0.00 179.25 179.90 2dmf h GLU 70 N 0.00 0.63 -4.05 0.00 4.39 -1.92 -3.47 114.58 110.17 2dmf h GLU 70 Ca -0.00 -0.67 -0.44 0.00 0.34 0.00 0.00 59.36 58.58 2dmf h GLU 70 Cb 0.84 0.19 0.08 0.00 -0.10 0.00 0.00 28.75 29.77 2dmf h GLU 70 CO 0.04 1.27 -0.44 0.98 -1.16 0.00 0.00 179.01 179.69 2dmf n TYR 71 N -3.83 -0.65 0.18 4.33 4.19 -1.18 -2.02 117.16 118.18 2dmf n TYR 71 Ca -0.10 0.59 0.04 0.00 3.31 0.00 0.00 57.90 61.73 2dmf n TYR 71 Cb 0.87 -1.29 0.34 0.00 0.49 0.00 0.00 39.34 39.75 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 0.54 0.00 -0.58 2.98 0.13 -1.89 -3.44 132.00 129.74 2dmf h PRO 72 Ca -0.21 0.00 0.23 0.00 -0.87 0.00 0.00 66.00 65.16 2dmf h PRO 72 Cb 0.97 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.01 2dmf h PRO 72 CO 0.36 0.41 0.33 0.72 -0.23 0.00 0.00 178.00 179.59 2dmf n HIS 73 N -3.81 0.59 -4.05 1.56 8.25 -0.86 -3.52 115.22 113.38 2dmf n HIS 73 Ca -0.01 0.59 -0.34 0.00 -0.26 0.00 0.00 57.72 57.70 2dmf n HIS 73 Cb 0.47 -1.03 -0.14 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 -4.77 3.31 0.52 -0.41 2.12 -1.24 -4.80 118.70 113.43 2dmf s GLU 74 Ca -0.05 -0.67 -0.22 0.00 0.36 0.00 0.00 54.97 54.39 2dmf s GLU 74 Cb 0.18 -2.88 -0.06 0.00 0.26 0.00 0.00 34.13 31.63 2dmf s GLU 74 CO 0.43 -0.15 1.30 1.33 -0.54 0.00 0.00 175.26 177.62 2dmf n VAL 75 N 4.61 3.45 -2.22 3.70 0.24 -1.23 -3.45 118.33 123.43 2dmf n VAL 75 Ca -0.19 -0.50 -0.41 0.00 -2.04 0.00 0.00 64.34 61.20 2dmf n VAL 75 Cb 0.51 -1.59 -0.03 0.00 -1.47 0.00 0.00 33.84 31.26 2dmf n VAL 75 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 2dmf s PRO 76 N -2.68 4.38 -0.49 7.34 0.04 -1.26 -4.75 135.00 137.59 2dmf s PRO 76 Ca 0.69 2.04 -0.27 0.00 0.04 0.00 0.00 61.00 63.51 2dmf s PRO 76 Cb -0.44 -3.21 -0.04 0.00 0.04 0.00 0.00 34.50 30.85 2dmf s PRO 76 CO 0.52 -0.28 2.13 -1.14 0.04 0.00 0.00 177.00 178.27 2dmf s GLN 77 N 0.09 2.53 0.07 4.56 0.74 -0.27 -4.71 119.66 122.66 2dmf s GLN 77 Ca 0.58 1.20 -0.26 0.00 0.05 0.00 0.00 55.36 56.93 2dmf s GLN 77 Cb -0.36 -4.45 -0.06 0.00 1.10 0.00 0.00 33.01 29.24 2dmf s GLN 77 CO 0.37 -2.81 0.80 0.42 -0.55 0.00 0.00 175.29 173.52 2dmf s ILE 78 N 10.12 4.64 -0.18 -2.34 1.01 -1.26 -2.80 121.20 130.39 2dmf s ILE 78 Ca 0.85 1.71 -0.21 0.00 0.00 0.00 0.00 60.65 63.01 2dmf s ILE 78 Cb -0.18 -4.15 0.05 0.00 0.01 0.00 0.00 42.46 38.19 2dmf s ILE 78 CO 0.26 0.38 0.56 -0.44 0.00 0.00 0.00 174.94 175.70 2dmf s SER 79 N -0.19 -0.57 -0.18 3.58 0.01 -0.97 -5.00 113.70 110.38 2dmf s SER 79 Ca 0.40 1.02 -0.20 0.00 1.31 0.00 0.00 55.95 58.47 2dmf s SER 79 Cb -0.21 1.03 -0.03 0.00 0.21 0.00 0.00 66.02 67.02 2dmf s SER 79 CO 0.25 -0.26 0.59 -0.63 0.41 0.00 0.00 173.24 173.59 2dmf s ILE 80 N 0.02 5.07 -0.11 1.44 -1.09 -1.26 -0.51 121.20 124.75 2dmf s ILE 80 Ca -0.02 1.12 0.01 0.00 -2.23 0.00 0.00 60.65 59.53 2dmf s ILE 80 Cb -0.04 -3.91 -0.02 0.00 -1.58 0.00 0.00 42.46 36.92 2dmf s ILE 80 CO 0.02 0.17 -0.14 -0.60 -1.23 0.00 0.00 174.94 173.15 2dmf s ARG 81 N 1.57 3.16 -1.19 2.79 6.06 -1.03 -4.69 118.95 125.62 2dmf s ARG 81 Ca 0.28 -0.71 -0.05 0.00 -2.50 0.00 0.00 55.73 52.75 2dmf s ARG 81 Cb -0.16 -2.54 -0.02 0.00 0.06 0.00 0.00 34.95 32.29 2dmf s ARG 81 CO 0.11 0.30 0.83 0.09 -2.50 0.00 0.00 175.30 174.13 2dmf n ASN 82 N 3.26 -3.43 -4.63 -2.12 3.02 -1.26 -2.41 115.26 107.68 2dmf n ASN 82 Ca -0.18 -0.78 -0.43 0.00 -0.03 0.00 0.00 54.58 53.16 2dmf n ASN 82 Cb 0.53 -4.47 -0.03 0.00 -0.61 0.00 0.00 39.78 35.20 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 -5.44 3.83 -0.16 3.52 0.04 -1.26 -4.54 135.00 131.00 2dmf s PRO 83 Ca 0.20 1.69 -0.02 0.00 0.04 0.00 0.00 61.00 62.90 2dmf s PRO 83 Cb -0.04 -4.02 -0.02 0.00 0.04 0.00 0.00 34.50 30.46 2dmf s PRO 83 CO 0.78 -1.25 -0.09 0.50 0.04 0.00 0.00 177.00 176.98 2dmf s ARG 84 N 4.59 3.44 0.00 4.56 3.52 -1.14 -4.68 118.95 129.25 2dmf s ARG 84 Ca 0.71 -0.64 0.00 0.00 -0.13 0.00 0.00 55.73 55.67 2dmf s ARG 84 Cb -0.25 -2.77 0.00 0.00 -1.56 0.00 0.00 34.95 30.36 2dmf s ARG 84 CO 0.29 0.12 0.00 0.41 -0.81 0.00 0.00 175.30 175.31 2dmf n GLY 85 N 3.82 2.26 3.79 8.12 0.00 -1.26 -3.59 105.19 118.33 2dmf n GLY 85 Ca -0.18 -0.41 -0.36 0.00 0.00 0.00 0.00 46.02 45.07 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 4.15 0.52 0.99 1.43 -1.26 -4.84 118.68 119.66 2dmf s LEU 86 Ca 0.00 1.94 0.05 0.00 -1.03 0.00 0.00 54.13 55.10 2dmf s LEU 86 Cb 0.00 -4.21 0.02 0.00 0.03 0.00 0.00 46.19 42.03 2dmf s LEU 86 CO 0.00 -0.39 0.32 -0.94 0.23 0.00 0.00 176.35 175.57 2dmf s SER 87 N -1.67 4.56 0.25 2.29 1.04 -1.26 -4.88 113.70 114.04 2dmf s SER 87 Ca 0.57 -1.26 -0.05 0.00 0.48 0.00 0.00 55.95 55.69 2dmf s SER 87 Cb -0.19 0.29 0.49 0.00 0.10 0.00 0.00 66.02 66.70 2dmf s SER 87 CO 0.25 -0.99 1.64 -0.78 0.98 0.00 0.00 173.24 174.33 2dmf h ASP 88 N 0.92 -0.27 0.47 7.02 3.58 -1.98 0.12 116.42 126.27 2dmf h ASP 88 Ca -0.39 0.19 -0.02 0.00 0.42 0.00 0.00 57.03 57.24 2dmf h ASP 88 Cb 1.30 0.33 -0.00 0.00 1.72 0.00 0.00 39.33 42.67 2dmf h ASP 88 CO 0.61 -0.17 -0.27 -0.33 -2.88 0.00 0.00 179.24 176.20 2dmf h GLU 89 N 0.13 -0.66 -0.32 0.28 4.39 -1.99 0.62 114.58 117.02 2dmf h GLU 89 Ca 0.44 0.05 0.06 0.00 0.34 0.00 0.00 59.36 60.24 2dmf h GLU 89 Cb 0.79 0.15 -0.08 0.00 -0.10 0.00 0.00 28.75 29.51 2dmf h GLU 89 CO -0.66 -0.44 -0.44 1.96 -1.16 0.00 0.00 179.01 178.27 2dmf h GLN 90 N -0.69 -0.37 -0.10 2.33 1.08 -1.80 -2.22 115.11 113.34 2dmf h GLN 90 Ca -0.06 0.03 0.04 0.00 -1.45 0.00 0.00 58.65 57.20 2dmf h GLN 90 Cb 0.54 0.08 -0.06 0.00 -0.05 0.00 0.00 27.48 27.99 2dmf h GLN 90 CO 0.08 -0.25 -0.41 0.82 -0.95 0.00 0.00 178.83 178.11 2dmf h ILE 91 N -0.39 0.15 -0.75 2.54 2.04 -0.77 -1.60 117.51 118.74 2dmf h ILE 91 Ca 0.11 0.00 0.19 0.00 1.00 0.00 0.00 64.86 66.16 2dmf h ILE 91 Cb 0.60 0.15 -0.14 0.00 -0.74 0.00 0.00 36.82 36.69 2dmf h ILE 91 CO -0.52 0.00 -0.04 1.57 0.00 0.00 0.00 178.15 179.16 2dmf n HIS 92 N -5.44 0.42 0.11 1.37 -0.00 0.21 0.10 115.22 111.99 2dmf n HIS 92 Ca -0.04 0.90 -0.13 0.00 0.46 0.00 0.00 57.72 58.91 2dmf n HIS 92 Cb 0.36 -1.03 -0.08 0.00 -0.12 0.00 0.00 29.99 29.13 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 0.90 -0.70 3.57 2.02 -1.11 -2.26 112.91 115.33 2dmf h THR 93 Ca 0.43 -0.26 0.12 0.00 0.77 0.00 0.00 66.41 67.47 2dmf h THR 93 Cb 0.83 1.06 -0.13 0.00 -1.74 0.00 0.00 68.15 68.17 2dmf h THR 93 CO -0.72 0.06 -0.32 0.40 0.37 0.00 0.00 175.52 175.31 2dmf h ILE 94 N -0.34 0.15 0.85 3.11 2.04 0.93 -1.64 117.51 122.60 2dmf h ILE 94 Ca -0.02 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.80 2dmf h ILE 94 Cb 0.27 0.15 -0.00 0.00 -0.74 0.00 0.00 36.82 36.50 2dmf h ILE 94 CO 0.04 0.00 -0.49 -0.07 0.00 0.00 0.00 178.15 177.63 2dmf h LEU 95 N -0.11 -1.22 -0.86 1.44 3.38 -1.33 -0.90 115.31 115.71 2dmf h LEU 95 Ca 0.28 0.06 0.22 0.00 0.09 0.00 0.00 57.88 58.53 2dmf h LEU 95 Cb 0.56 0.35 -0.16 0.00 0.09 0.00 0.00 40.66 41.50 2dmf h LEU 95 CO -0.76 -0.77 -0.05 0.00 0.09 0.00 0.00 178.44 176.95 2dmf n GLN 96 N -5.64 -0.07 0.02 1.13 1.13 -0.77 -0.64 117.38 112.54 2dmf n GLN 96 Ca -0.15 1.31 -0.01 0.00 -1.94 0.00 0.00 57.00 56.21 2dmf n GLN 96 Cb 0.51 -2.05 -0.00 0.00 0.11 0.00 0.00 30.24 28.81 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 -0.71 5.09 2.07 -1.07 -2.67 116.25 118.97 2dmf h VAL 97 Ca 0.49 -0.03 0.15 0.00 0.82 0.00 0.00 66.70 68.13 2dmf h VAL 97 Cb 0.95 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 30.59 2dmf h VAL 97 CO -0.84 0.00 -0.14 0.18 0.02 0.00 0.00 177.57 176.80 2dmf n LEU 98 N -2.21 -0.22 -0.10 2.57 4.77 -0.36 0.16 117.00 121.60 2dmf n LEU 98 Ca -0.01 1.21 -0.09 0.00 -0.03 0.00 0.00 56.01 57.10 2dmf n LEU 98 Cb 0.02 -0.38 -0.01 0.00 -2.33 0.00 0.00 43.42 40.72 2dmf n LEU 98 CO 0.01 -1.18 1.00 1.23 -1.33 0.00 0.00 177.39 177.13 2dmf h GLY 99 N 0.00 0.49 0.26 -0.72 0.00 -0.96 -2.67 103.07 99.48 2dmf h GLY 99 Ca 0.36 -0.19 0.10 0.00 0.00 0.00 0.00 47.33 47.60 2dmf h GLY 99 CO -0.71 0.19 0.12 0.84 0.00 0.00 0.00 176.54 176.97 2dmf h HIS 100 N 0.46 0.19 -0.46 5.60 -0.00 0.19 0.85 115.15 121.98 2dmf h HIS 100 Ca 0.13 0.03 0.04 0.00 -0.00 0.00 0.00 60.37 60.57 2dmf h HIS 100 Cb -0.03 -0.00 -0.04 0.00 -0.00 0.00 0.00 27.41 27.34 2dmf h HIS 100 CO -0.05 -0.01 0.21 0.28 -0.00 0.00 0.00 177.93 178.36 2dmf h VAL 101 N 0.26 0.93 0.07 5.26 2.07 -1.12 -0.15 116.25 123.57 2dmf h VAL 101 Ca 0.29 -0.15 -0.00 0.00 0.82 0.00 0.00 66.70 67.66 2dmf h VAL 101 Cb 0.41 0.47 0.00 0.00 -1.52 0.00 0.00 31.29 30.65 2dmf h VAL 101 CO -0.37 0.08 -0.03 0.00 0.02 0.00 0.00 177.57 177.27 2dmf h ALA 102 N 1.26 -0.09 -0.21 1.67 0.00 -0.96 -0.59 119.26 120.34 2dmf h ALA 102 Ca 0.21 -0.10 0.06 0.00 0.00 0.00 0.00 54.91 55.08 2dmf h ALA 102 Cb 0.14 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 2dmf h ALA 102 CO -0.16 -0.46 0.16 0.87 0.00 0.00 0.00 179.25 179.65 2dmf h LYS 103 N -0.27 0.00 0.00 0.00 1.57 -0.62 0.15 116.57 117.40 2dmf h LYS 103 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2dmf h LYS 103 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.54 2dmf h LYS 103 CO 0.02 0.00 -0.41 0.00 -0.57 0.00 0.00 179.45 178.49 2dmf h ALA 104 N 1.89 0.75 -0.91 3.86 0.00 -0.66 -3.33 119.26 120.85 2dmf h ALA 104 Ca 0.10 0.00 -0.58 0.00 0.00 0.00 0.00 54.91 54.43 2dmf h ALA 104 Cb 0.41 0.00 -0.41 0.00 0.00 0.00 0.00 17.79 17.80 2dmf h ALA 104 CO -0.00 0.00 -0.53 0.41 0.00 0.00 0.00 179.25 179.13 2dmf n GLY 105 N 1.28 6.25 3.80 0.00 0.00 0.48 -5.06 105.19 111.95 2dmf n GLY 105 Ca 0.04 -2.63 -0.33 0.00 0.00 0.00 0.00 46.02 43.09 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 -3.63 3.57 0.00 0.99 1.43 -0.98 -3.50 118.68 116.55 2dmf s LEU 106 Ca 0.52 1.87 0.00 0.00 -1.03 0.00 0.00 54.13 55.49 2dmf s LEU 106 Cb 0.42 -4.54 0.00 0.00 0.03 0.00 0.00 46.19 42.10 2dmf s LEU 106 CO -0.02 -1.13 0.00 0.61 0.23 0.00 0.00 176.35 176.04 2dmf n GLY 107 N -0.76 1.91 3.89 -3.19 0.00 -1.26 -4.94 105.19 100.84 2dmf n GLY 107 Ca 0.09 -0.07 -0.24 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.30 1.97 0.20 2.61 -4.23 -1.23 -4.75 115.64 109.91 2dmf s THR 108 Ca 0.00 -1.44 -0.31 0.00 -1.18 0.00 0.00 61.69 58.76 2dmf s THR 108 Cb 0.00 -2.41 -0.10 0.00 1.34 0.00 0.00 72.50 71.33 2dmf s THR 108 CO 0.00 0.00 1.52 0.00 -0.54 0.00 0.00 174.62 175.60 2dmf s ALA 109 N -2.68 3.72 0.00 3.99 0.00 -1.26 -4.87 121.76 120.66 2dmf s ALA 109 Ca 0.40 1.37 0.00 0.00 0.00 0.00 0.00 51.96 53.73 2dmf s ALA 109 Cb -0.02 -3.60 0.00 0.00 0.00 0.00 0.00 23.12 19.50 2dmf s ALA 109 CO 0.24 -0.78 0.00 0.00 0.00 0.00 0.00 175.76 175.22 2dmf n MET 110 N 3.24 1.14 -0.10 0.00 3.85 -1.26 -4.81 117.12 119.17 2dmf n MET 110 Ca 0.11 0.00 -0.03 0.00 -1.00 0.00 0.00 57.70 56.78 2dmf n MET 110 Cb 0.39 -0.73 -0.02 0.00 -1.05 0.00 0.00 33.22 31.81 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 -1.47 -0.26 -0.27 3.17 4.77 -1.26 0.11 117.00 121.78 2dmf n LEU 111 Ca 0.00 0.91 0.07 0.00 -0.03 0.00 0.00 56.01 56.96 2dmf n LEU 111 Cb 0.23 -0.29 0.20 0.00 -2.33 0.00 0.00 43.42 41.23 2dmf n LEU 111 CO 0.00 -0.59 0.90 0.22 -1.33 0.00 0.00 177.39 176.59 2dmf h TYR 112 N 0.00 0.19 0.60 -1.77 3.20 -1.99 -2.13 116.97 115.07 2dmf h TYR 112 Ca 0.04 0.05 -0.03 0.00 3.14 0.00 0.00 58.73 61.93 2dmf h TYR 112 Cb 0.10 0.04 0.01 0.00 1.54 0.00 0.00 36.73 38.42 2dmf h TYR 112 CO -0.69 -0.17 -0.29 0.93 -1.64 0.00 0.00 178.16 176.30 2dmf h GLU 113 N 0.20 -0.78 -0.82 1.82 5.08 0.42 -2.57 114.58 117.92 2dmf h GLU 113 Ca 0.45 0.05 0.25 0.00 -1.00 0.00 0.00 59.36 59.12 2dmf h GLU 113 Cb 0.83 0.18 -0.15 0.00 0.50 0.00 0.00 28.75 30.10 2dmf h GLU 113 CO -0.60 -0.52 0.10 1.28 -1.00 0.00 0.00 179.01 178.27 2dmf n LEU 114 N -4.26 -0.02 0.40 1.33 4.77 0.12 0.26 117.00 119.60 2dmf n LEU 114 Ca -0.10 1.39 -0.18 0.00 -0.03 0.00 0.00 56.01 57.09 2dmf n LEU 114 Cb 0.32 -0.54 -0.09 0.00 -2.33 0.00 0.00 43.42 40.78 2dmf n LEU 114 CO 0.24 -1.44 0.62 0.40 -1.33 0.00 0.00 177.39 175.88 2dmf h ILE 115 N 0.00 0.26 -0.45 -0.08 2.04 -1.26 -2.98 117.51 115.05 2dmf h ILE 115 Ca 0.54 -0.02 0.05 0.00 1.00 0.00 0.00 64.86 66.43 2dmf h ILE 115 Cb 1.19 0.27 -0.08 0.00 -0.74 0.00 0.00 36.82 37.46 2dmf h ILE 115 CO -0.75 0.00 -0.48 -0.33 0.00 0.00 0.00 178.15 176.59 2dmf h GLU 116 N -1.01 -0.26 -0.65 2.37 5.08 0.22 -2.13 114.58 118.20 2dmf h GLU 116 Ca -0.10 0.02 0.06 0.00 -1.00 0.00 0.00 59.36 58.33 2dmf h GLU 116 Cb 0.77 0.06 -0.08 0.00 0.50 0.00 0.00 28.75 30.00 2dmf h GLU 116 CO 0.17 -0.17 -0.38 1.17 -1.00 0.00 0.00 179.01 178.79 2dmf n LYS 117 N -4.97 -0.29 -0.52 2.33 3.00 -0.83 0.13 118.16 117.01 2dmf n LYS 117 Ca -0.02 1.28 0.43 0.00 -0.00 0.00 0.00 58.31 59.99 2dmf n LYS 117 Cb 0.28 -1.89 0.73 0.00 0.00 0.00 0.00 35.03 34.15 2dmf n LYS 117 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.40 178.18 2dmf h GLY 118 N 0.00 0.58 0.98 3.14 0.00 -1.23 0.74 103.07 107.28 2dmf h GLY 118 Ca 0.10 -0.05 -0.03 0.00 0.00 0.00 0.00 47.33 47.35 2dmf h GLY 118 CO -0.61 -0.17 0.22 0.50 0.00 0.00 0.00 176.54 176.48 2dmf h LYS 119 N 0.05 0.79 -0.23 4.80 1.57 0.14 -2.13 116.57 121.55 2dmf h LYS 119 Ca 0.82 -0.14 -0.03 0.00 -1.87 0.00 0.00 60.65 59.43 2dmf h LYS 119 Cb 2.96 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 35.13 2dmf h LYS 119 CO -0.19 0.69 0.03 1.05 -0.57 0.00 0.00 179.45 180.45 2dmf h GLU 120 N 0.72 0.38 0.38 3.15 4.11 0.64 -3.10 114.58 120.87 2dmf h GLU 120 Ca 0.18 -0.11 -0.01 0.00 0.07 0.00 0.00 59.36 59.49 2dmf h GLU 120 Cb 0.18 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.36 2dmf h GLU 120 CO -0.02 0.54 -0.49 0.82 0.07 0.00 0.00 179.01 179.93 2dmf h ILE 121 N 0.17 0.00 -0.99 -1.06 2.04 -1.33 -2.92 117.51 113.42 2dmf h ILE 121 Ca 0.07 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.03 2dmf h ILE 121 Cb 0.35 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 36.30 2dmf h ILE 121 CO 0.01 0.00 -0.55 -0.11 0.00 0.00 0.00 178.15 177.50 2dmf n LEU 122 N -5.33 -0.98 -0.32 1.44 -0.00 -0.81 -0.44 117.00 110.55 2dmf n LEU 122 Ca -0.11 1.75 -0.00 0.00 -0.00 0.00 0.00 56.01 57.65 2dmf n LEU 122 Cb 0.42 -0.25 0.04 0.00 -0.00 0.00 0.00 43.42 43.63 2dmf n LEU 122 CO 0.22 -1.45 0.50 0.41 -0.00 0.00 0.00 177.39 177.07 2dmf n THR 123 N -5.27 -0.44 0.05 1.96 -1.04 -1.11 0.40 114.28 108.84 2dmf n THR 123 Ca 0.03 1.97 -0.12 0.00 -2.04 0.00 0.00 64.05 63.89 2dmf n THR 123 Cb 0.28 -2.61 -0.07 0.00 -1.82 0.00 0.00 70.33 66.10 2dmf n THR 123 CO 0.00 0.00 0.00 0.44 -0.64 0.00 0.00 175.07 174.87 2dmf h ASP 124 N 0.00 -0.03 -3.65 8.00 5.19 -0.71 -3.34 116.42 121.89 2dmf h ASP 124 Ca 0.30 -0.01 -0.68 0.00 -0.62 0.00 0.00 57.03 56.02 2dmf h ASP 124 Cb 0.51 0.01 -0.37 0.00 0.18 0.00 0.00 39.33 39.66 2dmf h ASP 124 CO -0.84 -0.00 -0.32 0.54 -3.12 0.00 0.00 179.24 175.50 2dmf s ASN 125 N -5.18 5.39 -0.03 6.45 2.20 0.16 -4.82 114.94 119.12 2dmf s ASN 125 Ca -0.13 -3.42 -0.03 0.00 -0.94 0.00 0.00 52.86 48.34 2dmf s ASN 125 Cb 0.06 -1.82 -0.02 0.00 -2.00 0.00 0.00 41.25 37.47 2dmf s ASN 125 CO 0.66 -0.23 -0.07 -0.46 -2.94 0.00 0.00 177.10 174.07 2dmf n ASN 126 N 2.69 0.57 -4.74 3.54 6.94 -0.57 -4.56 115.26 119.13 2dmf n ASN 126 Ca 0.15 0.09 -0.41 0.00 -0.02 0.00 0.00 54.58 54.40 2dmf n ASN 126 Cb 0.36 -0.21 -0.05 0.00 -2.36 0.00 0.00 39.78 37.53 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 -2.11 4.25 1.24 1.53 1.01 -1.26 -4.59 121.20 121.26 2dmf s ILE 127 Ca -0.07 2.00 -0.21 0.00 0.00 0.00 0.00 60.65 62.37 2dmf s ILE 127 Cb 0.02 -4.27 0.30 0.00 0.01 0.00 0.00 42.46 38.52 2dmf s ILE 127 CO 0.09 0.37 1.11 -2.16 0.00 0.00 0.00 174.94 174.35 2dmf s PRO 128 N -0.46 -1.54 -1.28 2.79 0.04 -1.26 -4.34 135.00 128.95 2dmf s PRO 128 Ca 0.45 -0.18 -0.02 0.00 0.04 0.00 0.00 61.00 61.30 2dmf s PRO 128 Cb -0.25 -1.57 0.01 0.00 0.04 0.00 0.00 34.50 32.72 2dmf s PRO 128 CO 0.32 -3.90 0.89 0.72 0.04 0.00 0.00 177.00 175.06 2dmf n HIS 129 N -4.87 -2.14 -0.04 0.56 8.25 -1.26 -4.94 115.22 110.79 2dmf n HIS 129 Ca 0.15 0.90 -0.12 0.00 -0.26 0.00 0.00 57.72 58.39 2dmf n HIS 129 Cb 0.60 -4.73 -0.11 0.00 1.12 0.00 0.00 29.99 26.88 2dmf n HIS 129 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 2dmf h GLY 130 N -1.96 -0.03 -4.36 -1.41 0.00 -1.99 -3.34 103.07 89.97 2dmf h GLY 130 Ca -0.60 0.01 -0.69 0.00 0.00 0.00 0.00 47.33 46.06 2dmf h GLY 130 CO 0.54 -0.01 0.63 -1.06 0.00 0.00 0.00 176.54 176.65 2dmf n GLN 131 N -4.72 2.87 -2.06 4.80 6.02 -1.26 -4.95 117.38 118.08 2dmf n GLN 131 Ca -0.09 -3.56 -0.28 0.00 -0.01 0.00 0.00 57.00 53.06 2dmf n GLN 131 Cb 0.36 -2.28 -0.05 0.00 1.02 0.00 0.00 30.24 29.29 2dmf n GLN 131 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 2dmf s SER 132 N -1.90 5.20 0.43 1.08 0.15 -1.26 -4.85 113.70 112.56 2dmf s SER 132 Ca 0.58 -0.59 0.00 0.00 0.70 0.00 0.00 55.95 56.63 2dmf s SER 132 Cb 0.47 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 62.22 2dmf s SER 132 CO -0.16 -2.67 0.00 0.61 1.20 0.00 0.00 173.24 172.22 2dmf n GLY 133 N 6.73 0.36 0.27 9.45 0.00 -1.26 -3.81 105.19 116.93 2dmf n GLY 133 Ca 0.38 -0.73 -0.13 0.00 0.00 0.00 0.00 46.02 45.53 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 0.95 -3.74 1.61 0.13 -2.00 -3.46 132.00 125.48 2dmf h PRO 134 Ca 0.00 -0.50 -0.16 0.00 -0.87 0.00 0.00 66.00 64.47 2dmf h PRO 134 Cb 0.00 0.02 -0.21 0.00 0.13 0.00 0.00 31.00 30.93 2dmf h PRO 134 CO 0.00 1.16 -0.60 0.45 -0.23 0.00 0.00 178.00 178.77 2dmf s SER 135 N -6.84 0.12 -0.16 1.44 0.15 -1.25 -5.11 113.70 102.05 2dmf s SER 135 Ca -0.11 -0.33 -0.42 0.00 0.70 0.00 0.00 55.95 55.80 2dmf s SER 135 Cb 0.11 0.15 -0.19 0.00 -1.71 0.00 0.00 66.02 64.38 2dmf s SER 135 CO 0.88 -0.31 1.32 -1.20 1.20 0.00 0.00 173.24 175.13 2dmf n SER 136 N 1.63 0.77 0.00 5.45 7.64 -1.26 -4.99 113.62 122.87 2dmf n SER 136 Ca -0.23 1.16 0.00 0.00 1.01 0.00 0.00 58.87 60.81 2dmf n SER 136 Cb 0.56 -0.96 0.00 0.00 -1.01 0.00 0.00 64.21 62.79 2dmf n SER 136 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64