#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 -0.25 0.14 1.61 1.04 -1.26 -5.05 113.70 109.93 2dmf s SER 2 Ca 0.00 0.49 -0.19 0.00 0.48 0.00 0.00 55.95 56.73 2dmf s SER 2 Cb 0.00 0.47 0.01 0.00 0.10 0.00 0.00 66.02 66.60 2dmf s SER 2 CO 0.00 -0.10 1.72 0.77 0.98 0.00 0.00 173.24 176.61 2dmf h SER 3 N 6.03 -0.10 -3.77 7.02 4.64 -2.11 -3.48 113.55 121.78 2dmf h SER 3 Ca -0.28 0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.09 2dmf h SER 3 Cb 1.19 0.10 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 2dmf h SER 3 CO 0.36 -0.02 -0.49 0.61 -0.87 0.00 0.00 176.83 176.42 2dmf n GLY 4 N -1.21 -4.51 3.63 -0.77 0.00 -1.26 -5.09 105.19 95.98 2dmf n GLY 4 Ca -0.01 -0.43 -0.04 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.27 -0.93 0.47 1.61 0.15 -1.26 -5.02 113.70 108.44 2dmf s SER 5 Ca 0.00 1.41 0.27 0.00 0.70 0.00 0.00 55.95 58.32 2dmf s SER 5 Cb 0.00 1.65 1.31 0.00 -1.71 0.00 0.00 66.02 67.27 2dmf s SER 5 CO 0.00 -0.21 1.79 0.77 1.20 0.00 0.00 173.24 176.79 2dmf h SER 6 N 7.21 0.24 0.00 5.45 4.64 -2.04 -3.45 113.55 125.59 2dmf h SER 6 Ca -0.25 0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.11 2dmf h SER 6 Cb 1.18 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 2dmf h SER 6 CO 0.14 0.04 0.00 0.61 -0.87 0.00 0.00 176.83 176.75 2dmf n GLY 7 N -1.61 3.73 3.97 -0.77 0.00 -1.26 -5.11 105.19 104.15 2dmf n GLY 7 Ca 0.25 -0.73 -0.19 0.00 0.00 0.00 0.00 46.02 45.34 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 0.00 2.57 -0.61 1.61 2.02 -1.26 -5.09 118.70 117.94 2dmf s GLU 8 Ca 0.00 -1.49 0.04 0.00 0.02 0.00 0.00 54.97 53.55 2dmf s GLU 8 Cb 0.00 -2.58 0.15 0.00 0.10 0.00 0.00 34.13 31.80 2dmf s GLU 8 CO 0.00 -0.43 0.38 -1.21 0.02 0.00 0.00 175.26 174.02 2dmf s GLU 9 N -4.37 2.20 -0.03 1.61 8.01 -1.26 -5.05 118.70 119.81 2dmf s GLU 9 Ca 0.53 -2.98 -0.00 0.00 0.01 0.00 0.00 54.97 52.53 2dmf s GLU 9 Cb -0.07 -3.33 0.03 0.00 -4.31 0.00 0.00 34.13 26.45 2dmf s GLU 9 CO 0.32 -1.20 0.02 -0.51 0.01 0.00 0.00 175.26 173.89 2dmf s ASP 10 N -0.87 0.45 -0.29 -0.19 1.01 -1.26 -5.13 116.67 110.38 2dmf s ASP 10 Ca 0.21 0.00 -0.14 0.00 0.71 0.00 0.00 52.55 53.33 2dmf s ASP 10 Cb -0.15 -0.17 0.14 0.00 1.01 0.00 0.00 42.92 43.75 2dmf s ASP 10 CO -0.09 -0.13 0.87 0.86 0.21 0.00 0.00 175.17 176.89 2dmf s TRP 11 N 1.21 -0.84 -0.16 4.23 -0.00 -1.26 -5.03 118.94 117.09 2dmf s TRP 11 Ca -0.07 1.55 0.19 0.00 -0.00 0.00 0.00 56.10 57.77 2dmf s TRP 11 Cb -0.13 0.50 -0.10 0.00 -0.00 0.00 0.00 33.47 33.74 2dmf s TRP 11 CO -0.02 -0.42 0.86 1.33 -0.00 0.00 0.00 176.95 178.70 2dmf n VAL 12 N 4.60 0.92 -0.15 5.86 0.24 -1.26 -3.98 118.33 124.57 2dmf n VAL 12 Ca -0.14 -0.63 -0.04 0.00 -2.04 0.00 0.00 64.34 61.49 2dmf n VAL 12 Cb 0.54 -0.55 0.03 0.00 -1.47 0.00 0.00 33.84 32.39 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 -0.44 -0.38 1.34 7.12 -1.96 0.61 115.31 121.60 2dmf h LEU 13 Ca -0.11 0.14 -0.16 0.00 0.13 0.00 0.00 57.88 57.89 2dmf h LEU 13 Cb 1.36 0.29 -0.01 0.00 -0.53 0.00 0.00 40.66 41.77 2dmf h LEU 13 CO 0.03 -0.16 -0.37 1.55 -0.13 0.00 0.00 178.44 179.36 2dmf h PRO 14 N -0.00 0.92 0.00 5.25 0.13 -2.01 -2.25 132.00 134.05 2dmf h PRO 14 Ca 0.22 -0.48 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 2dmf h PRO 14 Cb 0.34 0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.49 2dmf h PRO 14 CO -0.48 1.14 0.00 0.43 -0.23 0.00 0.00 178.00 178.86 2dmf n SER 15 N -4.08 0.52 -0.06 1.44 7.64 -0.79 -2.45 113.62 115.83 2dmf n SER 15 Ca -0.02 0.65 -0.16 0.00 1.01 0.00 0.00 58.87 60.35 2dmf n SER 15 Cb 0.54 -0.75 -0.14 0.00 -1.01 0.00 0.00 64.21 62.85 2dmf n SER 15 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 2dmf n GLU 16 N -2.10 0.69 -0.10 1.43 0.00 0.14 -4.37 120.64 116.34 2dmf n GLU 16 Ca 0.02 0.19 -0.09 0.00 0.00 0.00 0.00 57.16 57.28 2dmf n GLU 16 Cb 0.17 -1.64 -0.01 0.00 0.00 0.00 0.00 31.44 29.96 2dmf n GLU 16 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.13 177.41 2dmf h VAL 17 N 0.02 1.09 -0.99 6.31 2.07 -1.07 -2.39 116.25 121.29 2dmf h VAL 17 Ca -0.46 -0.19 0.27 0.00 0.82 0.00 0.00 66.70 67.14 2dmf h VAL 17 Cb 2.03 0.64 -0.13 0.00 -1.52 0.00 0.00 31.29 32.31 2dmf h VAL 17 CO 0.03 0.09 0.55 1.05 0.02 0.00 0.00 177.57 179.31 2dmf h GLU 18 N 0.43 0.45 -0.07 1.57 4.11 -1.72 0.12 114.58 119.46 2dmf h GLU 18 Ca 0.12 -0.03 -0.04 0.00 0.07 0.00 0.00 59.36 59.48 2dmf h GLU 18 Cb -0.03 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.12 2dmf h GLU 18 CO -0.02 0.30 -0.11 0.28 0.07 0.00 0.00 179.01 179.52 2dmf h VAL 19 N 0.46 1.40 0.37 -1.06 2.07 -1.65 -3.26 116.25 114.58 2dmf h VAL 19 Ca 0.66 -1.36 -0.00 0.00 0.82 0.00 0.00 66.70 66.82 2dmf h VAL 19 Cb 1.36 2.13 -0.02 0.00 -1.52 0.00 0.00 31.29 33.24 2dmf h VAL 19 CO -0.53 0.38 -0.36 -0.07 0.02 0.00 0.00 177.57 177.01 2dmf h LEU 20 N -0.26 -0.97 -1.89 2.57 3.38 -0.53 -1.47 115.31 116.14 2dmf h LEU 20 Ca 0.01 0.08 0.52 0.00 0.09 0.00 0.00 57.88 58.58 2dmf h LEU 20 Cb 0.67 0.33 -0.09 0.00 0.09 0.00 0.00 40.66 41.66 2dmf h LEU 20 CO 0.03 -0.50 1.25 -0.33 0.09 0.00 0.00 178.44 178.97 2dmf h GLU 21 N -0.75 0.01 -0.00 1.13 5.08 -0.96 1.97 114.58 121.06 2dmf h GLU 21 Ca -0.03 -0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 58.10 2dmf h GLU 21 Cb 0.67 -0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.93 2dmf h GLU 21 CO -0.06 0.01 -0.96 1.03 -1.00 0.00 0.00 179.01 178.03 2dmf h SER 22 N 0.01 0.63 0.00 1.42 0.87 -1.32 -1.64 113.55 113.52 2dmf h SER 22 Ca 0.88 -0.50 -0.03 0.00 -1.23 0.00 0.00 61.79 60.90 2dmf h SER 22 Cb 3.38 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 65.14 2dmf h SER 22 CO -0.09 1.30 -0.47 0.40 -0.53 0.00 0.00 176.83 177.44 2dmf h ILE 23 N 0.28 0.23 -1.35 2.23 2.04 0.30 -3.39 117.51 117.86 2dmf h ILE 23 Ca -0.09 -1.25 -0.71 0.00 1.00 0.00 0.00 64.86 63.81 2dmf h ILE 23 Cb 1.60 0.51 -0.28 0.00 -0.74 0.00 0.00 36.82 37.91 2dmf h ILE 23 CO 0.17 0.08 0.95 -1.22 0.00 0.00 0.00 178.15 178.13 2dmf n TYR 24 N -4.63 3.15 -0.35 1.37 4.01 0.24 -4.76 117.16 116.19 2dmf n TYR 24 Ca -0.09 -2.79 0.12 0.00 -0.16 0.00 0.00 57.90 54.98 2dmf n TYR 24 Cb 0.27 -1.37 0.24 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 2.35 -0.63 0.00 7.72 -0.00 -1.37 -1.86 115.31 121.52 2dmf h LEU 25 Ca 0.60 0.29 -0.24 0.00 -0.00 0.00 0.00 57.88 58.52 2dmf h LEU 25 Cb 0.53 0.53 -0.04 0.00 -0.00 0.00 0.00 40.66 41.69 2dmf h LEU 25 CO 1.54 -0.35 -1.75 -0.67 -0.00 0.00 0.00 178.44 177.21 2dmf n ASP 26 N -5.54 1.22 -0.46 0.17 2.03 -1.26 -4.56 116.55 108.15 2dmf n ASP 26 Ca 0.21 0.21 0.36 0.00 0.52 0.00 0.00 54.79 56.09 2dmf n ASP 26 Cb 0.68 -0.50 0.58 0.00 -0.72 0.00 0.00 41.12 41.17 2dmf n ASP 26 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2dmf n GLU 27 N -3.78 -0.02 -4.24 -0.67 1.02 -1.21 -4.22 120.64 107.52 2dmf n GLU 27 Ca -0.29 0.93 -0.20 0.00 -0.02 0.00 0.00 57.16 57.58 2dmf n GLU 27 Cb 0.68 -1.96 -0.12 0.00 -0.02 0.00 0.00 31.44 30.02 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 -7.88 2.35 0.07 -4.62 0.20 -0.70 -3.24 118.68 104.85 2dmf s LEU 28 Ca -0.05 -0.73 0.06 0.00 0.69 0.00 0.00 54.13 54.09 2dmf s LEU 28 Cb 0.23 -0.63 -0.04 0.00 -0.43 0.00 0.00 46.19 45.32 2dmf s LEU 28 CO 0.67 -0.07 -0.08 -1.58 -0.29 0.00 0.00 176.35 175.00 2dmf s GLN 29 N -2.26 2.32 -0.04 1.98 2.00 0.60 -4.65 119.66 119.61 2dmf s GLN 29 Ca 0.06 -0.90 0.02 0.00 -2.00 0.00 0.00 55.36 52.54 2dmf s GLN 29 Cb -0.07 -2.39 0.01 0.00 0.80 0.00 0.00 33.01 31.35 2dmf s GLN 29 CO 0.03 0.54 -0.09 0.08 -0.50 0.00 0.00 175.29 175.36 2dmf s VAL 30 N -1.14 0.78 0.04 1.34 1.01 -1.26 -1.78 120.40 119.39 2dmf s VAL 30 Ca 0.20 -0.33 0.05 0.00 0.00 0.00 0.00 61.98 61.90 2dmf s VAL 30 Cb -0.11 -0.72 -0.02 0.00 0.00 0.00 0.00 36.38 35.53 2dmf s VAL 30 CO 0.12 0.26 -0.14 -0.63 0.00 0.00 0.00 175.10 174.71 2dmf s ILE 31 N 0.42 1.06 -0.16 2.22 -1.09 0.08 -5.01 121.20 118.72 2dmf s ILE 31 Ca -0.07 -1.03 -0.01 0.00 -2.23 0.00 0.00 60.65 57.31 2dmf s ILE 31 Cb -0.11 -0.98 -0.01 0.00 -1.58 0.00 0.00 42.46 39.78 2dmf s ILE 31 CO 0.01 -0.05 -0.11 -0.54 -1.23 0.00 0.00 174.94 173.02 2dmf s LYS 32 N -1.23 3.34 0.26 2.79 1.02 -1.26 -3.04 119.74 121.62 2dmf s LYS 32 Ca 0.00 -0.68 0.00 0.00 0.02 0.00 0.00 55.97 55.31 2dmf s LYS 32 Cb -0.08 -2.74 0.00 0.00 -0.52 0.00 0.00 37.83 34.49 2dmf s LYS 32 CO 0.01 0.04 0.00 0.41 -0.92 0.00 0.00 175.35 174.90 2dmf n GLY 33 N 4.02 -4.34 1.50 -3.33 0.00 -0.82 -5.01 105.19 97.21 2dmf n GLY 33 Ca -0.18 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.16 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 -0.07 0.00 0.00 1.61 5.15 -1.22 -4.82 115.26 115.91 2dmf n ASN 34 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 2dmf n ASN 34 Cb 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.25 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 0.62 0.14 8.20 0.00 -1.26 -4.93 105.19 110.10 2dmf n GLY 35 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 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 0.73 0.00 1.61 5.12 -1.26 -4.08 116.66 118.78 2dmf n ARG 36 Ca 0.00 0.23 0.00 0.00 -1.93 0.00 0.00 57.85 56.15 2dmf n ARG 36 Cb 0.00 -1.65 0.00 0.00 -1.16 0.00 0.00 32.46 29.65 2dmf n ARG 36 CO 0.00 0.00 0.00 0.25 -1.93 0.00 0.00 177.63 175.95 2dmf n THR 37 N -3.41 0.00 -3.91 0.55 -2.24 -1.26 -4.88 114.28 99.14 2dmf n THR 37 Ca -0.36 0.00 -0.28 0.00 -2.27 0.00 0.00 64.05 61.13 2dmf n THR 37 Cb 1.03 -0.13 -0.03 0.00 -2.10 0.00 0.00 70.33 69.09 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 -1.04 -4.74 3.42 7.64 -1.26 -4.61 113.62 112.67 2dmf n SER 38 Ca 0.00 -0.95 -0.30 0.00 1.01 0.00 0.00 58.87 58.63 2dmf n SER 38 Cb 0.06 -1.16 0.12 0.00 -1.01 0.00 0.00 64.21 62.22 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 -6.51 1.59 -0.35 1.43 0.04 -1.26 -3.94 135.00 126.00 2dmf s PRO 39 Ca 0.17 0.93 -0.08 0.00 0.04 0.00 0.00 61.00 62.07 2dmf s PRO 39 Cb -0.10 -1.84 0.04 0.00 0.04 0.00 0.00 34.50 32.65 2dmf s PRO 39 CO 0.72 -2.04 0.14 -1.58 0.04 0.00 0.00 177.00 174.29 2dmf s TRP 40 N -2.93 3.26 0.01 0.56 0.52 0.07 -1.95 118.94 118.49 2dmf s TRP 40 Ca 0.63 -1.34 -0.12 0.00 0.02 0.00 0.00 56.10 55.28 2dmf s TRP 40 Cb -0.18 -2.38 -0.06 0.00 -1.15 0.00 0.00 33.47 29.71 2dmf s TRP 40 CO 0.57 -0.73 0.38 -2.00 0.02 0.00 0.00 176.95 175.19 2dmf s GLU 41 N 1.43 3.82 -0.04 4.98 2.12 -1.17 -0.09 118.70 129.75 2dmf s GLU 41 Ca -0.00 0.28 -0.01 0.00 0.36 0.00 0.00 54.97 55.59 2dmf s GLU 41 Cb -0.20 -3.15 0.03 0.00 0.26 0.00 0.00 34.13 31.07 2dmf s GLU 41 CO 0.04 0.66 0.08 0.42 -0.54 0.00 0.00 175.26 175.91 2dmf s ILE 42 N -1.17 -0.04 0.39 -3.70 1.01 0.13 -0.74 121.20 117.08 2dmf s ILE 42 Ca 0.26 0.16 0.08 0.00 0.00 0.00 0.00 60.65 61.14 2dmf s ILE 42 Cb -0.15 -0.14 -0.05 0.00 0.01 0.00 0.00 42.46 42.13 2dmf s ILE 42 CO 0.14 0.07 0.15 -0.31 0.00 0.00 0.00 174.94 174.99 2dmf s TYR 43 N 0.89 2.61 -0.25 3.97 2.02 -0.74 -0.19 117.35 125.68 2dmf s TYR 43 Ca -0.07 -0.54 -0.27 0.00 -0.37 0.00 0.00 57.07 55.82 2dmf s TYR 43 Cb -0.10 -1.85 0.15 0.00 -0.40 0.00 0.00 41.96 39.76 2dmf s TYR 43 CO -0.03 0.25 1.14 -1.50 -1.57 0.00 0.00 175.55 173.84 2dmf s ILE 44 N -2.56 0.00 -0.31 2.71 2.07 -1.24 -0.30 121.20 121.57 2dmf s ILE 44 Ca 0.40 0.00 0.04 0.00 -1.41 0.00 0.00 60.65 59.67 2dmf s ILE 44 Cb 0.02 -1.00 0.09 0.00 0.13 0.00 0.00 42.46 41.70 2dmf s ILE 44 CO 0.22 0.00 0.00 -0.89 -1.91 0.00 0.00 174.94 172.36 2dmf s THR 45 N -0.39 2.19 0.57 4.00 2.01 -1.20 -1.81 115.64 121.01 2dmf s THR 45 Ca 0.03 -2.09 -0.11 0.00 0.31 0.00 0.00 61.69 59.83 2dmf s THR 45 Cb -0.03 -2.52 -0.05 0.00 0.01 0.00 0.00 72.50 69.91 2dmf s THR 45 CO -0.06 -0.42 0.98 -0.76 -0.69 0.00 0.00 174.62 173.67 2dmf s LEU 46 N 0.99 3.39 -0.03 4.42 1.02 -1.25 -5.01 118.68 122.21 2dmf s LEU 46 Ca 0.05 1.37 -0.07 0.00 0.02 0.00 0.00 54.13 55.50 2dmf s LEU 46 Cb -0.19 -4.38 0.01 0.00 0.02 0.00 0.00 46.19 41.65 2dmf s LEU 46 CO -0.07 -0.75 0.16 -1.00 0.02 0.00 0.00 176.35 174.71 2dmf s HIS 47 N -2.97 -0.09 1.10 0.29 3.76 -1.26 -4.19 115.29 111.94 2dmf s HIS 47 Ca 0.55 0.19 -0.19 0.00 -0.15 0.00 0.00 55.06 55.46 2dmf s HIS 47 Cb -0.11 0.01 0.27 0.00 1.11 0.00 0.00 32.58 33.87 2dmf s HIS 47 CO 0.47 -0.18 0.98 -0.35 -0.85 0.00 0.00 174.74 174.80 2dmf n PRO 48 N 2.27 -2.94 -3.22 8.40 -0.04 -1.26 -4.90 135.00 133.31 2dmf n PRO 48 Ca -0.17 -1.56 -0.45 0.00 -0.04 0.00 0.00 63.50 61.27 2dmf n PRO 48 Cb 0.57 -1.47 -0.01 0.00 -0.04 0.00 0.00 33.50 32.56 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 -3.01 4.36 0.92 0.55 0.00 -1.26 -5.04 121.76 118.28 2dmf s ALA 49 Ca 0.64 -3.57 -0.10 0.00 0.00 0.00 0.00 51.96 48.93 2dmf s ALA 49 Cb -0.06 -3.73 0.15 0.00 0.00 0.00 0.00 23.12 19.48 2dmf s ALA 49 CO 0.49 -2.41 1.14 2.41 0.00 0.00 0.00 175.76 177.39 2dmf n THR 50 N 3.57 0.00 0.00 0.00 -1.04 -1.26 -4.90 114.28 110.65 2dmf n THR 50 Ca 0.25 -0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.26 2dmf n THR 50 Cb 0.42 -0.99 0.00 0.00 -1.82 0.00 0.00 70.33 67.94 2dmf n THR 50 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2dmf n ALA 51 N -4.26 0.00 0.62 2.41 0.00 -1.26 -2.74 120.51 115.28 2dmf n ALA 51 Ca 0.12 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.64 2dmf n ALA 51 Cb 0.52 0.29 -0.11 0.00 0.00 0.00 0.00 19.45 20.15 2dmf n ALA 51 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2dmf n GLU 52 N -2.04 1.00 -2.15 0.00 2.13 -1.26 -5.01 120.64 113.31 2dmf n GLU 52 Ca 0.00 -0.04 -0.04 0.00 0.66 0.00 0.00 57.16 57.74 2dmf n GLU 52 Cb 0.00 -1.36 0.02 0.00 0.27 0.00 0.00 31.44 30.37 2dmf n GLU 52 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 2dmf n ASP 53 N -1.60 -2.60 -3.08 4.31 -0.08 -1.11 -5.08 116.55 107.31 2dmf n ASP 53 Ca 0.02 -0.17 -0.11 0.00 -1.51 0.00 0.00 54.79 53.01 2dmf n ASP 53 Cb 0.33 -1.69 -0.01 0.00 2.34 0.00 0.00 41.12 42.09 2dmf n ASP 53 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2dmf n GLN 54 N -1.87 1.33 -1.50 -0.67 6.02 -1.26 -5.00 117.38 114.43 2dmf n GLN 54 Ca -0.05 -1.39 -0.41 0.00 -0.01 0.00 0.00 57.00 55.14 2dmf n GLN 54 Cb 0.54 0.26 -0.11 0.00 1.02 0.00 0.00 30.24 31.94 2dmf n GLN 54 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 2dmf n ASP 55 N -1.57 0.98 -3.61 1.08 8.00 -1.26 -4.82 116.55 115.36 2dmf n ASP 55 Ca -0.04 0.02 -0.01 0.00 0.71 0.00 0.00 54.79 55.46 2dmf n ASP 55 Cb 0.25 -1.13 -0.06 0.00 -0.02 0.00 0.00 41.12 40.16 2dmf n ASP 55 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 2dmf s SER 56 N 9.69 -0.47 -0.35 -2.24 1.04 -1.26 -5.13 113.70 114.98 2dmf s SER 56 Ca 1.23 0.74 -0.00 0.00 0.48 0.00 0.00 55.95 58.40 2dmf s SER 56 Cb -0.94 1.25 0.11 0.00 0.10 0.00 0.00 66.02 66.54 2dmf s SER 56 CO 0.43 -0.12 0.15 -1.58 0.98 0.00 0.00 173.24 173.11 2dmf s GLN 57 N 1.46 0.82 -0.04 4.02 0.74 -1.26 -4.98 119.66 120.42 2dmf s GLN 57 Ca -0.08 -1.33 -0.06 0.00 0.05 0.00 0.00 55.36 53.94 2dmf s GLN 57 Cb -0.04 -1.95 -0.02 0.00 1.10 0.00 0.00 33.01 32.10 2dmf s GLN 57 CO -0.15 -1.07 -0.11 0.98 -0.55 0.00 0.00 175.29 174.39 2dmf n TYR 58 N 4.41 0.00 -4.77 1.67 4.19 -1.26 -5.03 117.16 116.36 2dmf n TYR 58 Ca 0.02 0.00 -0.33 0.00 3.31 0.00 0.00 57.90 60.90 2dmf n TYR 58 Cb 0.39 -0.16 -0.12 0.00 0.49 0.00 0.00 39.34 39.94 2dmf n TYR 58 CO 0.00 0.00 0.00 0.54 0.91 0.00 0.00 176.86 178.31 2dmf s VAL 59 N -1.76 3.34 -0.28 2.97 0.11 -1.26 -4.58 120.40 118.93 2dmf s VAL 59 Ca -0.09 -0.62 -0.24 0.00 -2.93 0.00 0.00 61.98 58.10 2dmf s VAL 59 Cb 0.01 -2.34 0.12 0.00 -1.53 0.00 0.00 36.38 32.65 2dmf s VAL 59 CO 0.14 0.59 1.00 0.00 -3.33 0.00 0.00 175.10 173.50 2dmf s PHE 61 N 0.41 1.67 -0.59 0.00 -0.71 -1.26 -3.11 117.98 114.39 2dmf s PHE 61 Ca 0.01 -1.07 -0.27 0.00 -1.04 0.00 0.00 56.93 54.56 2dmf s PHE 61 Cb -0.05 -1.30 0.00 0.00 -1.21 0.00 0.00 43.02 40.47 2dmf s PHE 61 CO -0.07 -0.61 1.54 0.99 -1.34 0.00 0.00 175.22 175.73 2dmf s THR 62 N 1.64 3.63 -0.75 -4.49 2.01 -1.07 -3.95 115.64 112.67 2dmf s THR 62 Ca 0.01 0.47 -0.26 0.00 0.31 0.00 0.00 61.69 62.22 2dmf s THR 62 Cb -0.15 -4.33 0.01 0.00 0.01 0.00 0.00 72.50 68.04 2dmf s THR 62 CO -0.08 -1.18 1.50 -0.22 -0.69 0.00 0.00 174.62 173.95 2dmf s LEU 63 N 6.93 3.24 -0.47 4.42 2.96 -0.75 -2.10 118.68 132.90 2dmf s LEU 63 Ca 0.55 -0.37 -0.29 0.00 -0.22 0.00 0.00 54.13 53.80 2dmf s LEU 63 Cb -0.11 -2.55 0.02 0.00 0.50 0.00 0.00 46.19 44.04 2dmf s LEU 63 CO 0.22 -2.00 1.28 -0.69 -1.32 0.00 0.00 176.35 173.85 2dmf s VAL 64 N 6.80 4.03 -0.42 1.68 1.01 -0.69 -3.64 120.40 129.16 2dmf s VAL 64 Ca 0.47 1.02 -0.10 0.00 0.00 0.00 0.00 61.98 63.37 2dmf s VAL 64 Cb -0.08 -4.44 0.07 0.00 0.00 0.00 0.00 36.38 31.94 2dmf s VAL 64 CO 0.13 -0.95 0.27 -0.76 0.00 0.00 0.00 175.10 173.79 2dmf s LEU 65 N 5.06 5.18 -0.46 3.92 1.43 0.74 -3.07 118.68 131.47 2dmf s LEU 65 Ca 0.54 -1.44 -0.13 0.00 -1.03 0.00 0.00 54.13 52.07 2dmf s LEU 65 Cb -0.10 -2.01 0.09 0.00 0.03 0.00 0.00 46.19 44.19 2dmf s LEU 65 CO 0.31 -0.54 0.36 -1.58 0.23 0.00 0.00 176.35 175.13 2dmf s GLN 66 N 1.46 2.80 -0.45 1.70 0.74 -0.97 0.20 119.66 125.14 2dmf s GLN 66 Ca 0.03 -1.48 -0.26 0.00 0.05 0.00 0.00 55.36 53.70 2dmf s GLN 66 Cb -0.23 -4.01 0.03 0.00 1.10 0.00 0.00 33.01 29.90 2dmf s GLN 66 CO 0.03 -1.06 0.96 0.08 -0.55 0.00 0.00 175.29 174.76 2dmf s VAL 67 N 1.53 4.44 0.60 1.34 1.01 0.87 -1.29 120.40 128.89 2dmf s VAL 67 Ca 0.04 0.89 -0.10 0.00 0.00 0.00 0.00 61.98 62.81 2dmf s VAL 67 Cb -0.25 -4.45 0.15 0.00 0.00 0.00 0.00 36.38 31.83 2dmf s VAL 67 CO 0.04 -0.83 0.53 -0.81 0.00 0.00 0.00 175.10 174.03 2dmf n PRO 68 N 7.23 -2.05 0.20 2.72 -0.04 -1.26 -0.75 135.00 141.05 2dmf n PRO 68 Ca 0.07 -0.85 0.12 0.00 -0.04 0.00 0.00 63.50 62.81 2dmf n PRO 68 Cb 0.49 -0.79 0.21 0.00 -0.04 0.00 0.00 33.50 33.36 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 -2.36 0.99 0.13 0.55 0.00 -1.92 -3.28 119.26 113.37 2dmf h ALA 69 Ca -0.20 0.00 -0.29 0.00 0.00 0.00 0.00 54.91 54.42 2dmf h ALA 69 Cb 0.61 0.00 0.03 0.00 0.00 0.00 0.00 17.79 18.43 2dmf h ALA 69 CO 0.13 0.00 -1.20 0.93 0.00 0.00 0.00 179.25 179.11 2dmf h GLU 70 N 0.00 0.59 -3.44 0.00 3.07 -1.92 -3.47 114.58 109.40 2dmf h GLU 70 Ca 0.00 -0.80 -0.38 0.00 -0.50 0.00 0.00 59.36 57.68 2dmf h GLU 70 Cb 0.95 0.27 0.07 0.00 -0.84 0.00 0.00 28.75 29.20 2dmf h GLU 70 CO 0.00 1.36 -0.37 0.98 -1.40 0.00 0.00 179.01 179.59 2dmf n TYR 71 N -3.84 -0.52 0.13 4.33 4.19 -1.22 -2.37 117.16 117.86 2dmf n TYR 71 Ca -0.14 0.50 -0.01 0.00 3.31 0.00 0.00 57.90 61.57 2dmf n TYR 71 Cb 0.97 -1.10 0.23 0.00 0.49 0.00 0.00 39.34 39.93 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 0.47 0.11 -0.40 2.98 0.13 -1.91 -3.44 132.00 129.95 2dmf h PRO 72 Ca -0.17 -0.06 0.14 0.00 -0.87 0.00 0.00 66.00 65.04 2dmf h PRO 72 Cb 0.83 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 31.89 2dmf h PRO 72 CO 0.31 0.57 0.12 0.72 -0.23 0.00 0.00 178.00 179.49 2dmf n HIS 73 N -3.97 0.37 -4.43 1.56 8.25 -1.00 -3.69 115.22 112.31 2dmf n HIS 73 Ca -0.02 0.48 -0.34 0.00 -0.26 0.00 0.00 57.72 57.58 2dmf n HIS 73 Cb 0.51 -0.87 -0.12 0.00 1.12 0.00 0.00 29.99 30.63 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 -4.88 3.64 0.42 -0.41 2.12 -1.24 -4.75 118.70 113.59 2dmf s GLU 74 Ca -0.04 -0.53 -0.25 0.00 0.36 0.00 0.00 54.97 54.51 2dmf s GLU 74 Cb 0.13 -2.89 -0.08 0.00 0.26 0.00 0.00 34.13 31.55 2dmf s GLU 74 CO 0.31 0.25 1.20 0.14 -0.54 0.00 0.00 175.26 176.63 2dmf s VAL 75 N 0.32 2.99 0.04 3.70 -7.23 -1.24 -3.43 120.40 115.55 2dmf s VAL 75 Ca -0.04 0.82 -0.30 0.00 -1.81 0.00 0.00 61.98 60.65 2dmf s VAL 75 Cb -0.14 -3.46 -0.06 0.00 0.56 0.00 0.00 36.38 33.28 2dmf s VAL 75 CO 0.03 0.07 1.42 -2.16 -0.31 0.00 0.00 175.10 174.15 2dmf s PRO 76 N -2.36 4.29 -0.17 4.82 0.04 -1.26 -4.76 135.00 135.60 2dmf s PRO 76 Ca 0.58 2.03 -0.36 0.00 0.04 0.00 0.00 61.00 63.29 2dmf s PRO 76 Cb -0.32 -3.49 -0.13 0.00 0.04 0.00 0.00 34.50 30.60 2dmf s PRO 76 CO 0.41 -0.55 1.87 1.04 0.04 0.00 0.00 177.00 179.81 2dmf n GLN 77 N 5.03 1.80 -3.89 4.56 6.02 -0.41 -4.59 117.38 125.89 2dmf n GLN 77 Ca 0.13 0.65 -0.36 0.00 -0.01 0.00 0.00 57.00 57.41 2dmf n GLN 77 Cb 0.43 -2.49 -0.07 0.00 1.02 0.00 0.00 30.24 29.14 2dmf n GLN 77 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2dmf s ILE 78 N 4.25 5.37 -0.17 5.09 1.01 -1.26 -2.28 121.20 133.21 2dmf s ILE 78 Ca 0.96 0.16 -0.26 0.00 0.00 0.00 0.00 60.65 61.51 2dmf s ILE 78 Cb -0.81 -3.36 0.07 0.00 0.01 0.00 0.00 42.46 38.37 2dmf s ILE 78 CO 0.55 0.58 0.66 -0.44 0.00 0.00 0.00 174.94 176.29 2dmf s SER 79 N -0.70 -0.67 -0.21 3.58 0.01 -1.17 -5.01 113.70 109.54 2dmf s SER 79 Ca 0.13 1.08 -0.19 0.00 1.31 0.00 0.00 55.95 58.28 2dmf s SER 79 Cb -0.12 1.04 -0.03 0.00 0.21 0.00 0.00 66.02 67.12 2dmf s SER 79 CO 0.03 -0.38 0.54 -0.63 0.41 0.00 0.00 173.24 173.21 2dmf s ILE 80 N -0.27 5.08 -0.12 1.44 -1.09 -1.26 -1.70 121.20 123.28 2dmf s ILE 80 Ca -0.05 1.00 0.02 0.00 -2.23 0.00 0.00 60.65 59.39 2dmf s ILE 80 Cb -0.03 -3.86 -0.01 0.00 -1.58 0.00 0.00 42.46 36.98 2dmf s ILE 80 CO 0.04 0.15 -0.18 -0.60 -1.23 0.00 0.00 174.94 173.12 2dmf s ARG 81 N 1.77 3.21 -0.91 2.79 3.52 -0.89 -4.70 118.95 123.74 2dmf s ARG 81 Ca 0.25 -0.78 -0.01 0.00 -0.13 0.00 0.00 55.73 55.05 2dmf s ARG 81 Cb -0.16 -2.49 -0.01 0.00 -1.56 0.00 0.00 34.95 30.73 2dmf s ARG 81 CO 0.10 0.17 0.77 0.09 -0.81 0.00 0.00 175.30 175.61 2dmf n ASN 82 N 3.61 -3.01 -4.61 -2.12 4.13 -1.26 -2.60 115.26 109.41 2dmf n ASN 82 Ca -0.19 -0.51 -0.43 0.00 1.68 0.00 0.00 54.58 55.14 2dmf n ASN 82 Cb 0.53 -4.15 -0.03 0.00 -1.54 0.00 0.00 39.78 34.59 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 -4.80 3.60 -0.07 3.52 0.04 -1.26 -4.59 135.00 131.43 2dmf s PRO 83 Ca 0.10 1.48 0.05 0.00 0.04 0.00 0.00 61.00 62.67 2dmf s PRO 83 Cb -0.01 -4.09 -0.01 0.00 0.04 0.00 0.00 34.50 30.43 2dmf s PRO 83 CO 0.57 -1.53 -0.25 0.50 0.04 0.00 0.00 177.00 176.34 2dmf s ARG 84 N 5.07 2.75 0.00 4.56 6.06 -1.18 -4.72 118.95 131.48 2dmf s ARG 84 Ca 0.73 -0.89 0.00 0.00 -2.50 0.00 0.00 55.73 53.07 2dmf s ARG 84 Cb -0.23 -2.21 0.00 0.00 0.06 0.00 0.00 34.95 32.57 2dmf s ARG 84 CO 0.31 0.30 0.00 0.41 -2.50 0.00 0.00 175.30 173.82 2dmf n GLY 85 N 3.19 1.64 3.84 8.12 0.00 -1.26 -3.36 105.19 117.36 2dmf n GLY 85 Ca -0.18 -0.24 -0.32 0.00 0.00 0.00 0.00 46.02 45.28 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 3.39 0.39 0.99 1.43 -1.26 -3.62 118.68 120.00 2dmf s LEU 86 Ca 0.00 1.60 0.06 0.00 -1.03 0.00 0.00 54.13 54.76 2dmf s LEU 86 Cb 0.00 -4.50 -0.08 0.00 0.03 0.00 0.00 46.19 41.64 2dmf s LEU 86 CO 0.00 -0.97 0.02 -0.44 0.23 0.00 0.00 176.35 175.19 2dmf s SER 87 N -3.44 3.54 0.31 2.29 0.01 -1.26 -4.90 113.70 110.25 2dmf s SER 87 Ca 0.59 -1.37 0.05 0.00 1.31 0.00 0.00 55.95 56.53 2dmf s SER 87 Cb -0.12 -0.33 0.82 0.00 0.21 0.00 0.00 66.02 66.60 2dmf s SER 87 CO 0.43 -0.48 1.61 -0.78 0.41 0.00 0.00 173.24 174.43 2dmf h ASP 88 N 1.85 -0.09 0.12 2.44 1.82 -1.98 0.33 116.42 120.91 2dmf h ASP 88 Ca -0.43 0.23 -0.01 0.00 -0.39 0.00 0.00 57.03 56.43 2dmf h ASP 88 Cb 1.24 0.33 0.00 0.00 0.68 0.00 0.00 39.33 41.58 2dmf h ASP 88 CO 0.78 -0.26 -0.06 -0.08 -1.61 0.00 0.00 179.24 178.02 2dmf h GLU 89 N 0.12 -0.15 -0.27 0.28 4.22 -1.99 -1.24 114.58 115.55 2dmf h GLU 89 Ca 0.61 0.01 0.05 0.00 0.08 0.00 0.00 59.36 60.12 2dmf h GLU 89 Cb 1.33 0.03 -0.08 0.00 0.50 0.00 0.00 28.75 30.53 2dmf h GLU 89 CO -0.75 -0.10 -0.46 1.96 -2.18 0.00 0.00 179.01 177.48 2dmf h GLN 90 N -0.17 -0.42 -0.81 1.92 4.20 -1.78 -0.77 115.11 117.28 2dmf h GLN 90 Ca -0.02 0.03 0.20 0.00 0.06 0.00 0.00 58.65 58.92 2dmf h GLN 90 Cb 0.12 0.10 -0.13 0.00 0.30 0.00 0.00 27.48 27.86 2dmf h GLN 90 CO 0.03 -0.28 0.15 0.82 -0.67 0.00 0.00 178.83 178.88 2dmf h ILE 91 N -0.44 0.37 -0.79 2.54 2.04 -0.44 0.16 117.51 120.96 2dmf h ILE 91 Ca 0.09 -0.07 0.17 0.00 1.00 0.00 0.00 64.86 66.06 2dmf h ILE 91 Cb 0.62 0.16 -0.11 0.00 -0.74 0.00 0.00 36.82 36.75 2dmf h ILE 91 CO -0.49 0.04 0.25 -0.74 0.00 0.00 0.00 178.15 177.20 2dmf h HIS 92 N 0.19 0.40 -0.09 1.37 2.76 0.13 -0.96 115.15 118.95 2dmf h HIS 92 Ca 0.47 0.04 0.03 0.00 -2.20 0.00 0.00 60.37 58.71 2dmf h HIS 92 Cb 0.88 -0.06 -0.03 0.00 1.55 0.00 0.00 27.41 29.76 2dmf h HIS 92 CO -0.31 -0.06 -0.07 1.15 -1.30 0.00 0.00 177.93 177.34 2dmf h THR 93 N 0.33 0.80 -0.25 6.26 2.02 -0.45 -2.02 112.91 119.59 2dmf h THR 93 Ca 0.46 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.67 2dmf h THR 93 Cb 0.80 0.80 -0.05 0.00 -1.74 0.00 0.00 68.15 67.96 2dmf h THR 93 CO -0.51 0.00 -0.33 0.40 0.37 0.00 0.00 175.52 175.45 2dmf h ILE 94 N -0.07 0.00 -0.08 3.11 2.04 -1.03 -1.53 117.51 119.95 2dmf h ILE 94 Ca 0.06 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.95 2dmf h ILE 94 Cb 0.16 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 36.18 2dmf h ILE 94 CO -0.14 0.00 -0.49 -0.07 0.00 0.00 0.00 178.15 177.46 2dmf h LEU 95 N -0.23 -1.51 -0.89 1.44 3.38 -1.43 -1.02 115.31 115.04 2dmf h LEU 95 Ca 0.04 0.18 0.10 0.00 0.09 0.00 0.00 57.88 58.29 2dmf h LEU 95 Cb 0.35 0.59 -0.12 0.00 0.09 0.00 0.00 40.66 41.58 2dmf h LEU 95 CO -0.36 -0.48 -0.48 0.00 0.09 0.00 0.00 178.44 177.22 2dmf n GLN 96 N -5.45 -0.34 0.04 1.13 1.13 -0.77 -0.14 117.38 112.98 2dmf n GLN 96 Ca -0.06 1.35 -0.02 0.00 -1.94 0.00 0.00 57.00 56.34 2dmf n GLN 96 Cb 0.38 -2.00 -0.01 0.00 0.11 0.00 0.00 30.24 28.73 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 -1.06 5.09 2.07 -0.77 -1.93 116.25 119.65 2dmf h VAL 97 Ca 0.19 0.00 0.31 0.00 0.82 0.00 0.00 66.70 68.02 2dmf h VAL 97 Cb 0.41 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.14 2dmf h VAL 97 CO -0.85 0.00 1.22 0.18 0.02 0.00 0.00 177.57 178.14 2dmf n LEU 98 N -2.34 0.00 0.02 2.57 4.77 -0.43 0.13 117.00 121.71 2dmf n LEU 98 Ca -0.01 0.76 -0.18 0.00 -0.03 0.00 0.00 56.01 56.54 2dmf n LEU 98 Cb 0.04 -0.26 -0.13 0.00 -2.33 0.00 0.00 43.42 40.73 2dmf n LEU 98 CO 0.03 -0.76 0.17 1.23 -1.33 0.00 0.00 177.39 176.73 2dmf h GLY 99 N 0.00 0.29 0.74 -0.72 0.00 0.00 -3.05 103.07 100.33 2dmf h GLY 99 Ca 0.50 -0.68 -0.00 0.00 0.00 0.00 0.00 47.33 47.15 2dmf h GLY 99 CO -0.01 0.59 0.00 0.45 0.00 0.00 0.00 176.54 177.58 2dmf h HIS 100 N -0.44 0.02 -0.90 5.60 3.86 0.18 -2.50 115.15 120.96 2dmf h HIS 100 Ca -0.10 -0.00 0.12 0.00 -1.16 0.00 0.00 60.37 59.23 2dmf h HIS 100 Cb 1.43 -0.01 -0.07 0.00 1.06 0.00 0.00 27.41 29.82 2dmf h HIS 100 CO 0.20 0.28 0.58 0.28 0.86 0.00 0.00 177.93 180.13 2dmf h VAL 101 N -0.25 0.89 0.81 2.45 2.07 -1.45 0.28 116.25 121.06 2dmf h VAL 101 Ca 0.00 -0.28 -0.04 0.00 0.82 0.00 0.00 66.70 67.21 2dmf h VAL 101 Cb 0.27 0.02 0.01 0.00 -1.52 0.00 0.00 31.29 30.07 2dmf h VAL 101 CO 0.00 0.15 -0.39 0.00 0.02 0.00 0.00 177.57 177.35 2dmf h ALA 102 N 1.58 -1.11 -0.96 1.67 0.00 -1.41 -1.71 119.26 117.32 2dmf h ALA 102 Ca 0.44 -0.24 0.04 0.00 0.00 0.00 0.00 54.91 55.15 2dmf h ALA 102 Cb 0.57 0.42 -0.06 0.00 0.00 0.00 0.00 17.79 18.72 2dmf h ALA 102 CO -0.20 -1.03 0.63 0.87 0.00 0.00 0.00 179.25 179.52 2dmf h LYS 103 N -1.26 1.17 0.00 0.00 1.57 -1.16 -0.30 116.57 116.59 2dmf h LYS 103 Ca -0.11 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.59 2dmf h LYS 103 Cb 0.83 -0.26 -0.00 0.00 0.08 0.00 0.00 32.23 32.87 2dmf h LYS 103 CO 0.18 0.77 -0.05 0.00 -0.57 0.00 0.00 179.45 179.79 2dmf h ALA 104 N 1.44 1.16 -0.94 3.86 0.00 -0.42 -2.73 119.26 121.63 2dmf h ALA 104 Ca 0.38 -0.05 -0.60 0.00 0.00 0.00 0.00 54.91 54.64 2dmf h ALA 104 Cb 0.01 -0.01 -0.38 0.00 0.00 0.00 0.00 17.79 17.41 2dmf h ALA 104 CO -0.12 0.06 -0.26 0.41 0.00 0.00 0.00 179.25 179.34 2dmf n GLY 105 N -0.70 6.16 3.79 0.00 0.00 -0.14 -5.05 105.19 109.26 2dmf n GLY 105 Ca -0.02 -2.58 -0.34 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 -3.68 3.61 0.00 0.99 1.43 -1.03 -3.10 118.68 116.90 2dmf s LEU 106 Ca 0.54 1.96 0.00 0.00 -1.03 0.00 0.00 54.13 55.60 2dmf s LEU 106 Cb 0.44 -4.55 0.00 0.00 0.03 0.00 0.00 46.19 42.10 2dmf s LEU 106 CO -0.03 -1.19 0.00 0.61 0.23 0.00 0.00 176.35 175.96 2dmf n GLY 107 N -0.46 0.56 3.45 -3.19 0.00 -1.26 -4.95 105.19 99.34 2dmf n GLY 107 Ca 0.10 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.63 0.34 -0.67 2.61 -4.23 -1.18 -4.93 115.64 104.95 2dmf s THR 108 Ca 0.00 -2.00 -0.27 0.00 -1.18 0.00 0.00 61.69 58.24 2dmf s THR 108 Cb 0.00 -2.35 0.03 0.00 1.34 0.00 0.00 72.50 71.52 2dmf s THR 108 CO 0.00 0.00 1.27 0.00 -0.54 0.00 0.00 174.62 175.35 2dmf s ALA 109 N -3.25 2.83 -0.20 3.99 0.00 -1.26 -4.79 121.76 119.07 2dmf s ALA 109 Ca 0.28 -1.14 0.16 0.00 0.00 0.00 0.00 51.96 51.26 2dmf s ALA 109 Cb 0.02 -4.18 -0.24 0.00 0.00 0.00 0.00 23.12 18.72 2dmf s ALA 109 CO 0.19 -3.07 0.05 0.00 0.00 0.00 0.00 175.76 172.93 2dmf n MET 110 N 9.02 0.77 -0.08 0.00 3.85 -1.26 -4.53 117.12 124.88 2dmf n MET 110 Ca 0.06 0.00 -0.02 0.00 -1.00 0.00 0.00 57.70 56.74 2dmf n MET 110 Cb 0.49 -1.51 -0.02 0.00 -1.05 0.00 0.00 33.22 31.14 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 -2.77 -0.20 -0.10 3.17 4.77 -1.26 0.24 117.00 120.86 2dmf n LEU 111 Ca -0.33 0.79 -0.07 0.00 -0.03 0.00 0.00 56.01 56.38 2dmf n LEU 111 Cb 1.13 -0.27 -0.00 0.00 -2.33 0.00 0.00 43.42 41.94 2dmf n LEU 111 CO 0.41 -0.50 0.69 0.22 -1.33 0.00 0.00 177.39 176.88 2dmf h TYR 112 N 0.00 -0.65 0.01 -1.77 5.03 -1.98 -2.41 116.97 115.20 2dmf h TYR 112 Ca 0.03 0.05 0.00 0.00 2.58 0.00 0.00 58.73 61.39 2dmf h TYR 112 Cb 0.08 0.34 -0.01 0.00 1.55 0.00 0.00 36.73 38.69 2dmf h TYR 112 CO -0.63 -0.32 -0.09 0.93 -1.32 0.00 0.00 178.16 176.74 2dmf h GLU 113 N -0.20 -0.12 -0.83 1.82 5.08 -0.45 -0.84 114.58 119.06 2dmf h GLU 113 Ca 0.17 0.01 0.34 0.00 -1.00 0.00 0.00 59.36 58.88 2dmf h GLU 113 Cb 0.47 0.03 -0.15 0.00 0.50 0.00 0.00 28.75 29.60 2dmf h GLU 113 CO -0.47 -0.08 0.43 1.28 -1.00 0.00 0.00 179.01 179.17 2dmf n LEU 114 N -2.96 0.27 0.00 1.33 4.77 0.80 -0.49 117.00 120.72 2dmf n LEU 114 Ca -0.01 1.37 0.00 0.00 -0.03 0.00 0.00 56.01 57.34 2dmf n LEU 114 Cb 0.07 -0.66 0.00 0.00 -2.33 0.00 0.00 43.42 40.50 2dmf n LEU 114 CO 0.02 -1.53 0.26 -0.38 -1.33 0.00 0.00 177.39 174.43 2dmf n ILE 115 N -4.88 0.00 0.04 -0.08 5.41 -0.58 -2.32 119.36 116.95 2dmf n ILE 115 Ca 0.31 0.96 0.18 0.00 1.00 0.00 0.00 62.75 65.19 2dmf n ILE 115 Cb 1.05 -1.84 0.40 0.00 -0.71 0.00 0.00 39.64 38.53 2dmf n ILE 115 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 176.55 177.60 2dmf h GLU 116 N 0.00 0.00 0.21 0.38 4.11 0.01 0.31 114.58 119.59 2dmf h GLU 116 Ca 0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.42 2dmf h GLU 116 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2dmf h GLU 116 CO 0.00 0.00 -0.10 -0.22 0.07 0.00 0.00 179.01 178.76 2dmf h LYS 117 N 0.00 -0.27 -0.94 1.06 1.63 -0.73 -3.28 116.57 114.04 2dmf h LYS 117 Ca 0.26 0.02 0.22 0.00 -0.85 0.00 0.00 60.65 60.29 2dmf h LYS 117 Cb 2.16 0.06 -0.12 0.00 -0.60 0.00 0.00 32.23 33.73 2dmf h LYS 117 CO -0.00 0.11 0.49 0.78 -3.45 0.00 0.00 179.45 177.38 2dmf h GLY 118 N -0.89 1.67 -0.37 5.01 0.00 0.02 0.17 103.07 108.69 2dmf h GLY 118 Ca -0.03 -0.25 0.24 0.00 0.00 0.00 0.00 47.33 47.30 2dmf h GLY 118 CO 0.05 -0.21 0.35 0.50 0.00 0.00 0.00 176.54 177.23 2dmf h LYS 119 N 0.53 0.29 0.08 4.80 1.57 -1.58 0.17 116.57 122.42 2dmf h LYS 119 Ca 0.58 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 59.34 2dmf h LYS 119 Cb 1.05 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.30 2dmf h LYS 119 CO -0.48 0.19 -0.04 0.93 -0.57 0.00 0.00 179.45 179.49 2dmf h GLU 120 N 0.30 -0.10 -0.86 3.15 5.08 -1.08 -2.02 114.58 119.05 2dmf h GLU 120 Ca 0.59 0.01 0.21 0.00 -1.00 0.00 0.00 59.36 59.16 2dmf h GLU 120 Cb 1.19 0.02 -0.12 0.00 0.50 0.00 0.00 28.75 30.34 2dmf h GLU 120 CO -0.60 0.41 0.31 0.82 -1.00 0.00 0.00 179.01 178.96 2dmf h ILE 121 N -0.68 0.45 0.49 3.13 2.04 -0.91 0.55 117.51 122.57 2dmf h ILE 121 Ca -0.01 -0.11 -0.02 0.00 1.00 0.00 0.00 64.86 65.71 2dmf h ILE 121 Cb 0.56 0.09 0.00 0.00 -0.74 0.00 0.00 36.82 36.73 2dmf h ILE 121 CO 0.02 0.06 -0.24 0.25 0.00 0.00 0.00 178.15 178.24 2dmf h LEU 122 N 0.33 -0.56 -1.82 1.44 5.85 -1.06 -3.08 115.31 116.42 2dmf h LEU 122 Ca 0.53 0.02 0.40 0.00 0.84 0.00 0.00 57.88 59.67 2dmf h LEU 122 Cb 0.99 0.14 -0.07 0.00 0.37 0.00 0.00 40.66 42.09 2dmf h LEU 122 CO -0.55 -0.17 0.97 0.74 -0.34 0.00 0.00 178.44 179.08 2dmf h THR 123 N -1.11 0.28 -0.55 1.05 2.02 -0.87 0.79 112.91 114.53 2dmf h THR 123 Ca -0.07 -0.02 -0.12 0.00 0.77 0.00 0.00 66.41 66.97 2dmf h THR 123 Cb 0.51 0.21 -0.02 0.00 -1.74 0.00 0.00 68.15 67.11 2dmf h THR 123 CO 0.11 0.01 -0.10 0.44 0.37 0.00 0.00 175.52 176.35 2dmf h ASP 124 N 0.07 1.05 -3.17 4.18 3.32 -0.87 -3.35 116.42 117.64 2dmf h ASP 124 Ca 0.70 -0.35 -0.62 0.00 0.02 0.00 0.00 57.03 56.78 2dmf h ASP 124 Cb 2.58 -0.29 -0.42 0.00 0.22 0.00 0.00 39.33 41.42 2dmf h ASP 124 CO -0.11 1.15 -0.60 0.20 -1.72 0.00 0.00 179.24 178.17 2dmf s ASN 125 N -6.65 4.63 -0.67 6.45 0.01 0.28 -4.93 114.94 114.05 2dmf s ASN 125 Ca -0.12 -3.75 0.00 0.00 -0.71 0.00 0.00 52.86 48.29 2dmf s ASN 125 Cb 0.13 -1.58 0.41 0.00 0.41 0.00 0.00 41.25 40.62 2dmf s ASN 125 CO 0.87 -0.10 1.80 0.59 -1.51 0.00 0.00 177.10 178.75 2dmf n ASN 126 N 2.11 6.88 -3.93 -1.22 5.03 -1.17 -4.84 115.26 118.13 2dmf n ASN 126 Ca 0.19 -3.80 -0.24 0.00 0.87 0.00 0.00 54.58 51.60 2dmf n ASN 126 Cb 0.35 -0.87 -0.17 0.00 -1.02 0.00 0.00 39.78 38.08 2dmf n ASN 126 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 2dmf s ILE 127 N -5.01 0.87 1.23 2.41 1.01 -1.26 -5.06 121.20 115.40 2dmf s ILE 127 Ca 0.56 -0.26 -0.21 0.00 0.00 0.00 0.00 60.65 60.73 2dmf s ILE 127 Cb 0.45 -0.87 0.31 0.00 0.01 0.00 0.00 42.46 42.36 2dmf s ILE 127 CO -0.20 0.32 1.09 -0.81 0.00 0.00 0.00 174.94 175.35 2dmf n PRO 128 N 4.39 -3.16 -2.54 2.79 -0.04 -1.26 -4.83 135.00 130.35 2dmf n PRO 128 Ca -0.18 -1.75 -0.42 0.00 -0.04 0.00 0.00 63.50 61.11 2dmf n PRO 128 Cb 0.51 -1.64 -0.03 0.00 -0.04 0.00 0.00 33.50 32.30 2dmf n PRO 128 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 2dmf s HIS 129 N -2.98 3.37 -0.52 0.54 2.46 -1.24 -4.97 115.29 111.96 2dmf s HIS 129 Ca 0.71 1.38 0.07 0.00 0.47 0.00 0.00 55.06 57.69 2dmf s HIS 129 Cb -0.07 -3.32 0.20 0.00 -0.13 0.00 0.00 32.58 29.25 2dmf s HIS 129 CO 0.55 -0.87 0.75 0.41 -2.47 0.00 0.00 174.74 173.10 2dmf n GLY 130 N 3.21 -0.47 3.36 1.59 0.00 -1.26 -4.90 105.19 106.72 2dmf n GLY 130 Ca 0.09 0.40 -0.39 0.00 0.00 0.00 0.00 46.02 46.12 2dmf n GLY 130 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2dmf s GLN 131 N 0.84 2.87 -1.55 1.61 0.74 -1.26 -4.60 119.66 118.30 2dmf s GLN 131 Ca 0.30 -1.04 -0.07 0.00 0.05 0.00 0.00 55.36 54.60 2dmf s GLN 131 Cb 0.03 -3.62 0.06 0.00 1.10 0.00 0.00 33.01 30.58 2dmf s GLN 131 CO -0.08 -0.64 0.46 0.43 -0.55 0.00 0.00 175.29 174.92 2dmf n SER 132 N 4.94 -1.09 0.00 6.67 7.64 -1.26 -4.81 113.62 125.71 2dmf n SER 132 Ca -0.12 -1.07 0.00 0.00 1.01 0.00 0.00 58.87 58.68 2dmf n SER 132 Cb 0.46 -2.60 0.00 0.00 -1.01 0.00 0.00 64.21 61.06 2dmf n SER 132 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dmf n GLY 133 N -1.86 4.38 0.19 0.23 0.00 -1.26 -4.99 105.19 101.89 2dmf n GLY 133 Ca -0.17 -0.65 0.05 0.00 0.00 0.00 0.00 46.02 45.25 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 -3.99 1.61 0.13 -1.90 -3.41 132.00 124.43 2dmf h PRO 134 Ca 0.00 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.57 2dmf h PRO 134 Cb 0.00 0.00 -0.39 0.00 0.13 0.00 0.00 31.00 30.74 2dmf h PRO 134 CO 0.00 0.35 -0.78 0.45 -0.23 0.00 0.00 178.00 177.80 2dmf s SER 135 N -6.56 3.15 -0.54 1.44 0.15 -1.26 -4.89 113.70 105.20 2dmf s SER 135 Ca -0.01 -0.87 -0.02 0.00 0.70 0.00 0.00 55.95 55.75 2dmf s SER 135 Cb 0.12 -0.87 0.14 0.00 -1.71 0.00 0.00 66.02 63.70 2dmf s SER 135 CO 0.69 -0.24 0.34 -0.44 1.20 0.00 0.00 173.24 174.78 2dmf s SER 136 N 1.65 5.16 0.00 5.45 0.01 -1.26 -5.13 113.70 119.57 2dmf s SER 136 Ca -0.02 -2.58 0.00 0.00 1.31 0.00 0.00 55.95 54.67 2dmf s SER 136 Cb -0.17 -1.82 0.00 0.00 0.21 0.00 0.00 66.02 64.24 2dmf s SER 136 CO -0.07 -0.42 0.00 0.61 0.41 0.00 0.00 173.24 173.77