#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 3.62 0.27 1.61 0.01 -1.26 -5.10 113.70 112.86 2dmf s SER 2 Ca 0.00 -2.65 0.03 0.00 1.31 0.00 0.00 55.95 54.64 2dmf s SER 2 Cb 0.00 -1.03 -0.03 0.00 0.21 0.00 0.00 66.02 65.17 2dmf s SER 2 CO 0.00 -0.26 0.22 -0.94 0.41 0.00 0.00 173.24 172.67 2dmf s SER 3 N 0.32 1.00 0.01 2.44 1.04 -1.26 -4.83 113.70 112.42 2dmf s SER 3 Ca 0.18 -1.59 -0.29 0.00 0.48 0.00 0.00 55.95 54.73 2dmf s SER 3 Cb -0.23 0.48 0.10 0.00 0.10 0.00 0.00 66.02 66.48 2dmf s SER 3 CO -0.00 -0.97 1.15 -0.83 0.98 0.00 0.00 173.24 173.56 2dmf s GLY 4 N -3.28 -0.35 -0.30 7.32 0.00 -1.26 -5.06 107.32 104.40 2dmf s GLY 4 Ca 0.40 0.66 0.12 0.00 0.00 0.00 0.00 44.72 45.90 2dmf s GLY 4 CO 0.21 0.15 1.14 -1.26 0.00 0.00 0.00 173.10 173.34 2dmf n SER 5 N -0.42 3.66 -0.25 1.64 2.88 -1.26 -4.86 113.62 115.02 2dmf n SER 5 Ca -0.07 -3.15 -0.00 0.00 -1.33 0.00 0.00 58.87 54.32 2dmf n SER 5 Cb 0.62 -0.41 0.12 0.00 -0.75 0.00 0.00 64.21 63.78 2dmf n SER 5 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 2dmf h SER 6 N 2.40 0.58 -0.76 -3.46 0.02 -1.99 -2.56 113.55 107.78 2dmf h SER 6 Ca 0.18 0.03 0.23 0.00 -0.84 0.00 0.00 61.79 61.39 2dmf h SER 6 Cb 1.37 -0.08 -0.14 0.00 0.14 0.00 0.00 62.40 63.69 2dmf h SER 6 CO 0.58 0.37 0.08 0.61 -1.14 0.00 0.00 176.83 177.32 2dmf n GLY 7 N -1.30 -0.95 3.79 -3.77 0.00 -1.26 -4.71 105.19 96.99 2dmf n GLY 7 Ca 0.10 0.72 -0.03 0.00 0.00 0.00 0.00 46.02 46.81 2dmf n GLY 7 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2dmf s GLU 8 N -5.59 1.16 -0.14 1.61 -1.05 -0.97 -5.07 118.70 108.66 2dmf s GLU 8 Ca -0.09 -0.69 -0.09 0.00 -0.15 0.00 0.00 54.97 53.94 2dmf s GLU 8 Cb 0.23 0.37 -0.25 0.00 -0.44 0.00 0.00 34.13 34.04 2dmf s GLU 8 CO 0.59 -0.54 0.33 0.39 0.95 0.00 0.00 175.26 176.98 2dmf n GLU 9 N -0.56 0.73 -3.32 -4.83 -0.58 -1.26 -4.81 120.64 106.01 2dmf n GLU 9 Ca -0.05 0.32 -0.38 0.00 -0.42 0.00 0.00 57.16 56.63 2dmf n GLU 9 Cb 0.60 -1.71 -0.06 0.00 -0.57 0.00 0.00 31.44 29.70 2dmf n GLU 9 CO 0.00 0.00 0.00 0.16 -0.48 0.00 0.00 177.13 176.81 2dmf s ASP 10 N -7.01 6.66 -0.30 1.62 -4.77 -1.26 -5.04 116.67 106.57 2dmf s ASP 10 Ca -0.24 0.79 -0.08 0.00 -3.30 0.00 0.00 52.55 49.72 2dmf s ASP 10 Cb 0.07 -2.28 0.17 0.00 -1.09 0.00 0.00 42.92 39.78 2dmf s ASP 10 CO 0.74 -0.01 0.76 0.86 0.70 0.00 0.00 175.17 178.22 2dmf s TRP 11 N 0.72 -1.18 -0.10 2.11 -0.00 -1.26 -5.03 118.94 114.20 2dmf s TRP 11 Ca 0.25 1.58 0.14 0.00 -0.00 0.00 0.00 56.10 58.07 2dmf s TRP 11 Cb -0.15 0.54 -0.01 0.00 -0.00 0.00 0.00 33.47 33.85 2dmf s TRP 11 CO 0.10 -0.62 1.35 -0.39 -0.00 0.00 0.00 176.95 177.39 2dmf h VAL 12 N 5.79 0.99 -0.83 5.86 -1.51 -1.96 -3.33 116.25 121.25 2dmf h VAL 12 Ca -0.19 -2.43 0.14 0.00 -1.23 0.00 0.00 66.70 62.99 2dmf h VAL 12 Cb 1.14 2.47 -0.15 0.00 -2.13 0.00 0.00 31.29 32.62 2dmf h VAL 12 CO 0.12 0.57 -0.34 0.25 -1.23 0.00 0.00 177.57 176.93 2dmf h LEU 13 N 0.00 -1.24 -0.49 4.19 7.12 -1.96 0.97 115.31 123.90 2dmf h LEU 13 Ca -0.02 0.27 -0.15 0.00 0.13 0.00 0.00 57.88 58.11 2dmf h LEU 13 Cb 1.48 0.66 -0.01 0.00 -0.53 0.00 0.00 40.66 42.27 2dmf h LEU 13 CO 0.08 -0.29 -0.40 1.55 -0.13 0.00 0.00 178.44 179.24 2dmf h PRO 14 N -0.06 0.80 -0.01 5.25 0.13 -2.00 -2.77 132.00 133.35 2dmf h PRO 14 Ca 0.32 -0.42 0.00 0.00 -0.87 0.00 0.00 66.00 65.03 2dmf h PRO 14 Cb 0.59 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 31.73 2dmf h PRO 14 CO -0.87 1.06 0.02 1.03 -0.23 0.00 0.00 178.00 179.01 2dmf h SER 15 N 0.66 0.00 0.27 1.44 0.87 -1.00 -1.54 113.55 114.25 2dmf h SER 15 Ca 0.05 0.00 -0.34 0.00 -1.23 0.00 0.00 61.79 60.28 2dmf h SER 15 Cb 0.96 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.89 2dmf h SER 15 CO 0.09 0.00 -1.88 -0.62 -0.53 0.00 0.00 176.83 173.89 2dmf n GLU 16 N -3.27 0.71 0.08 2.24 4.71 -0.27 -4.31 120.64 120.53 2dmf n GLU 16 Ca -0.03 0.28 -0.12 0.00 -0.01 0.00 0.00 57.16 57.28 2dmf n GLU 16 Cb 0.09 -1.74 -0.05 0.00 -1.01 0.00 0.00 31.44 28.73 2dmf n GLU 16 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50 2dmf h VAL 17 N 0.04 0.66 -1.50 2.62 2.07 -1.02 0.20 116.25 119.33 2dmf h VAL 17 Ca -0.37 0.00 0.47 0.00 0.82 0.00 0.00 66.70 67.62 2dmf h VAL 17 Cb 2.03 0.66 -0.11 0.00 -1.52 0.00 0.00 31.29 32.35 2dmf h VAL 17 CO 0.09 0.00 1.02 1.05 0.02 0.00 0.00 177.57 179.74 2dmf h GLU 18 N -0.27 0.05 0.04 1.57 4.11 -1.67 0.50 114.58 118.91 2dmf h GLU 18 Ca 0.03 -0.00 -0.23 0.00 0.07 0.00 0.00 59.36 59.23 2dmf h GLU 18 Cb 0.30 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.52 2dmf h GLU 18 CO -0.09 0.03 -1.22 0.28 0.07 0.00 0.00 179.01 178.08 2dmf h VAL 19 N 0.05 1.02 -0.08 -1.06 2.07 -1.53 -3.30 116.25 113.43 2dmf h VAL 19 Ca 0.83 -2.28 0.02 0.00 0.82 0.00 0.00 66.70 66.10 2dmf h VAL 19 Cb 2.89 2.53 -0.00 0.00 -1.52 0.00 0.00 31.29 35.19 2dmf h VAL 19 CO -0.26 0.52 0.11 -0.07 0.02 0.00 0.00 177.57 177.88 2dmf h LEU 20 N -0.70 0.00 -0.12 2.57 3.38 0.13 -0.62 115.31 119.95 2dmf h LEU 20 Ca -0.30 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.43 2dmf h LEU 20 Cb 1.47 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.22 2dmf h LEU 20 CO -0.08 0.00 -0.99 -0.33 0.09 0.00 0.00 178.44 177.13 2dmf h GLU 21 N 0.00 0.46 -0.10 1.13 5.08 -0.29 0.18 114.58 121.03 2dmf h GLU 21 Ca 0.04 -0.51 -0.10 0.00 -1.00 0.00 0.00 59.36 57.78 2dmf h GLU 21 Cb 0.25 0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 2dmf h GLU 21 CO -0.00 1.16 -0.38 0.77 -1.00 0.00 0.00 179.01 179.56 2dmf h SER 22 N 0.25 0.23 0.00 1.42 0.02 -1.20 0.27 113.55 114.55 2dmf h SER 22 Ca -0.10 -0.09 -0.08 0.00 -0.84 0.00 0.00 61.79 60.68 2dmf h SER 22 Cb 1.63 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 64.10 2dmf h SER 22 CO 0.18 0.59 -0.72 0.40 -1.14 0.00 0.00 176.83 176.14 2dmf h ILE 23 N 0.19 0.38 -1.00 3.27 2.04 -1.47 -3.39 117.51 117.53 2dmf h ILE 23 Ca 0.02 -1.46 -0.67 0.00 1.00 0.00 0.00 64.86 63.75 2dmf h ILE 23 Cb 0.76 0.89 -0.29 0.00 -0.74 0.00 0.00 36.82 37.45 2dmf h ILE 23 CO 0.06 0.13 0.87 -1.22 0.00 0.00 0.00 178.15 177.99 2dmf n TYR 24 N -4.56 3.23 -0.31 1.37 4.01 0.61 -4.74 117.16 116.77 2dmf n TYR 24 Ca -0.15 -3.00 0.00 0.00 -0.16 0.00 0.00 57.90 54.58 2dmf n TYR 24 Cb 0.40 -1.44 0.07 0.00 -0.31 0.00 0.00 39.34 38.05 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 1.97 -1.10 0.00 7.72 8.10 -0.56 -0.05 115.31 131.39 2dmf h LEU 25 Ca 0.61 0.27 -0.36 0.00 0.11 0.00 0.00 57.88 58.51 2dmf h LEU 25 Cb 0.87 0.62 -0.06 0.00 -0.44 0.00 0.00 40.66 41.65 2dmf h LEU 25 CO 1.58 -0.29 -2.31 -0.67 -4.11 0.00 0.00 178.44 172.64 2dmf n ASP 26 N -5.50 2.09 -0.28 0.17 2.03 -1.26 -4.41 116.55 109.38 2dmf n ASP 26 Ca 0.10 -0.00 0.34 0.00 0.52 0.00 0.00 54.79 55.75 2dmf n ASP 26 Cb 0.41 -0.46 0.73 0.00 -0.72 0.00 0.00 41.12 41.08 2dmf n ASP 26 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 2dmf h GLU 27 N -0.25 0.00 -4.69 -0.67 5.08 -1.86 -3.40 114.58 108.79 2dmf h GLU 27 Ca -0.54 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 57.55 2dmf h GLU 27 Cb 1.72 0.00 -0.19 0.00 0.50 0.00 0.00 28.75 30.78 2dmf h GLU 27 CO -0.16 0.00 -0.72 -1.17 -1.00 0.00 0.00 179.01 175.95 2dmf s LEU 28 N -8.01 2.36 0.14 1.33 0.20 -0.04 -3.58 118.68 111.07 2dmf s LEU 28 Ca -0.05 -0.73 0.10 0.00 0.69 0.00 0.00 54.13 54.14 2dmf s LEU 28 Cb 0.21 -0.18 -0.04 0.00 -0.43 0.00 0.00 46.19 45.76 2dmf s LEU 28 CO 0.75 -0.29 -0.24 -1.10 -0.29 0.00 0.00 176.35 175.18 2dmf s GLN 29 N -2.46 1.36 0.01 1.98 -1.52 -0.35 -4.56 119.66 114.12 2dmf s GLN 29 Ca -0.01 -1.36 0.03 0.00 -1.95 0.00 0.00 55.36 52.07 2dmf s GLN 29 Cb -0.04 -1.71 -0.01 0.00 -0.22 0.00 0.00 33.01 31.02 2dmf s GLN 29 CO -0.01 0.39 -0.08 0.08 -0.25 0.00 0.00 175.29 175.42 2dmf s VAL 30 N -1.34 0.62 0.01 1.09 1.01 -1.26 -1.16 120.40 119.37 2dmf s VAL 30 Ca 0.14 -0.57 0.05 0.00 0.00 0.00 0.00 61.98 61.60 2dmf s VAL 30 Cb -0.09 -0.57 -0.02 0.00 0.00 0.00 0.00 36.38 35.71 2dmf s VAL 30 CO 0.07 0.01 -0.15 -0.63 0.00 0.00 0.00 175.10 174.40 2dmf s ILE 31 N -0.54 1.17 -0.16 2.22 -1.09 0.13 -4.99 121.20 117.94 2dmf s ILE 31 Ca -0.00 -0.81 -0.06 0.00 -2.23 0.00 0.00 60.65 57.55 2dmf s ILE 31 Cb -0.05 -1.01 -0.04 0.00 -1.58 0.00 0.00 42.46 39.78 2dmf s ILE 31 CO 0.00 0.19 0.03 -0.54 -1.23 0.00 0.00 174.94 173.39 2dmf s LYS 32 N -0.71 3.72 0.04 2.79 1.02 -1.26 -2.45 119.74 122.88 2dmf s LYS 32 Ca 0.04 -0.39 0.00 0.00 0.02 0.00 0.00 55.97 55.65 2dmf s LYS 32 Cb -0.07 -3.07 0.00 0.00 -0.52 0.00 0.00 37.83 34.17 2dmf s LYS 32 CO 0.00 0.36 0.00 0.41 -0.92 0.00 0.00 175.35 175.21 2dmf n GLY 33 N 3.23 -5.17 1.72 -3.33 0.00 -0.87 -4.95 105.19 95.81 2dmf n GLY 33 Ca -0.17 0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.89 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 1.89 0.04 -2.65 1.61 5.15 -1.19 -4.91 115.26 115.19 2dmf n ASN 34 Ca 0.00 0.09 0.00 0.00 -0.60 0.00 0.00 54.58 54.07 2dmf n ASN 34 Cb 0.00 0.05 0.00 0.00 -0.53 0.00 0.00 39.78 39.30 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 2.07 0.30 0.13 8.20 0.00 -1.26 -4.92 105.19 109.71 2dmf n GLY 35 Ca 0.00 -1.39 -0.20 0.00 0.00 0.00 0.00 46.02 44.43 2dmf n GLY 35 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2dmf h ARG 36 N 0.00 0.32 -0.98 1.61 3.08 -2.00 -3.31 114.38 113.11 2dmf h ARG 36 Ca 0.00 -0.55 -0.08 0.00 0.07 0.00 0.00 59.98 59.42 2dmf h ARG 36 Cb 0.00 0.20 -0.05 0.00 0.08 0.00 0.00 29.97 30.21 2dmf h ARG 36 CO 0.00 1.21 0.10 -2.37 -1.07 0.00 0.00 179.97 177.84 2dmf n THR 37 N -3.52 1.21 -4.16 2.04 5.66 -1.26 -4.85 114.28 109.39 2dmf n THR 37 Ca -0.19 -0.36 -0.30 0.00 -3.05 0.00 0.00 64.05 60.15 2dmf n THR 37 Cb 1.06 -0.77 -0.08 0.00 -1.55 0.00 0.00 70.33 68.99 2dmf n THR 37 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 2dmf n SER 38 N 0.15 0.55 -4.48 1.09 7.64 -1.25 -4.56 113.62 112.77 2dmf n SER 38 Ca 0.10 -1.18 -0.29 0.00 1.01 0.00 0.00 58.87 58.52 2dmf n SER 38 Cb 0.66 -1.46 0.20 0.00 -1.01 0.00 0.00 64.21 62.60 2dmf n SER 38 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 2dmf s PRO 39 N -7.04 -0.05 -0.27 1.43 0.04 -1.26 -4.24 135.00 123.61 2dmf s PRO 39 Ca 0.03 0.35 -0.01 0.00 0.04 0.00 0.00 61.00 61.42 2dmf s PRO 39 Cb -0.02 -1.70 0.04 0.00 0.04 0.00 0.00 34.50 32.87 2dmf s PRO 39 CO 0.92 -3.01 -0.04 -1.58 0.04 0.00 0.00 177.00 173.32 2dmf s TRP 40 N -2.98 3.18 0.10 0.56 0.52 -0.11 -2.06 118.94 118.16 2dmf s TRP 40 Ca 0.67 -1.80 -0.13 0.00 0.02 0.00 0.00 56.10 54.86 2dmf s TRP 40 Cb -0.17 -2.06 -0.06 0.00 -1.15 0.00 0.00 33.47 30.03 2dmf s TRP 40 CO 0.57 -0.78 0.49 -2.00 0.02 0.00 0.00 176.95 175.25 2dmf s GLU 41 N 1.26 3.91 -0.08 4.98 2.56 -1.03 -0.65 118.70 129.66 2dmf s GLU 41 Ca -0.03 0.39 -0.03 0.00 0.00 0.00 0.00 54.97 55.30 2dmf s GLU 41 Cb -0.18 -3.00 0.04 0.00 2.00 0.00 0.00 34.13 32.99 2dmf s GLU 41 CO -0.03 0.54 0.16 0.42 -0.56 0.00 0.00 175.26 175.79 2dmf s ILE 42 N -1.38 -0.15 0.39 -3.70 1.01 -0.37 0.18 121.20 117.19 2dmf s ILE 42 Ca 0.34 0.25 0.08 0.00 0.00 0.00 0.00 60.65 61.32 2dmf s ILE 42 Cb -0.15 -0.28 -0.04 0.00 0.01 0.00 0.00 42.46 42.00 2dmf s ILE 42 CO 0.18 0.10 0.24 -0.31 0.00 0.00 0.00 174.94 175.15 2dmf s TYR 43 N 1.65 2.68 -0.23 3.97 1.51 -0.31 -0.63 117.35 125.99 2dmf s TYR 43 Ca -0.04 -0.49 -0.28 0.00 -1.01 0.00 0.00 57.07 55.25 2dmf s TYR 43 Cb -0.12 -1.93 0.15 0.00 -0.11 0.00 0.00 41.96 39.95 2dmf s TYR 43 CO -0.06 0.13 1.14 -1.50 -1.11 0.00 0.00 175.55 174.15 2dmf s ILE 44 N -2.50 0.00 -0.28 2.71 2.07 -1.22 -1.21 121.20 120.78 2dmf s ILE 44 Ca 0.42 0.00 -0.04 0.00 -1.41 0.00 0.00 60.65 59.63 2dmf s ILE 44 Cb -0.00 -1.00 0.03 0.00 0.13 0.00 0.00 42.46 41.61 2dmf s ILE 44 CO 0.24 0.00 0.01 -0.89 -1.91 0.00 0.00 174.94 172.39 2dmf s THR 45 N -0.66 3.32 0.10 4.00 2.01 -1.24 -2.11 115.64 121.06 2dmf s THR 45 Ca 0.03 -0.99 -0.05 0.00 0.31 0.00 0.00 61.69 60.99 2dmf s THR 45 Cb -0.02 -2.75 -0.05 0.00 0.01 0.00 0.00 72.50 69.69 2dmf s THR 45 CO -0.04 0.08 0.33 -0.76 -0.69 0.00 0.00 174.62 173.54 2dmf s LEU 46 N 1.37 4.31 -0.01 4.42 1.02 -1.26 -5.03 118.68 123.51 2dmf s LEU 46 Ca -0.00 0.56 0.03 0.00 0.02 0.00 0.00 54.13 54.74 2dmf s LEU 46 Cb -0.18 -3.09 -0.01 0.00 0.02 0.00 0.00 46.19 42.93 2dmf s LEU 46 CO -0.01 0.12 -0.10 -1.00 0.02 0.00 0.00 176.35 175.38 2dmf s HIS 47 N -1.53 0.96 1.24 0.29 3.76 -1.26 -4.38 115.29 114.37 2dmf s HIS 47 Ca 0.36 -0.19 -0.21 0.00 -0.15 0.00 0.00 55.06 54.88 2dmf s HIS 47 Cb -0.13 -0.63 0.30 0.00 1.11 0.00 0.00 32.58 33.24 2dmf s HIS 47 CO 0.23 -0.03 1.11 -1.25 -0.85 0.00 0.00 174.74 173.95 2dmf s PRO 48 N -0.18 -1.54 -0.93 8.40 0.04 -1.26 -4.74 135.00 134.78 2dmf s PRO 48 Ca 0.03 -0.18 -0.22 0.00 0.04 0.00 0.00 61.00 60.67 2dmf s PRO 48 Cb -0.05 -1.57 -0.24 0.00 0.04 0.00 0.00 34.50 32.68 2dmf s PRO 48 CO -0.00 -3.90 2.44 0.00 0.04 0.00 0.00 177.00 175.58 2dmf n ALA 49 N -4.87 0.67 -1.38 8.56 0.00 -1.26 -4.77 120.51 117.45 2dmf n ALA 49 Ca 0.15 -0.65 -0.45 0.00 0.00 0.00 0.00 53.44 52.49 2dmf n ALA 49 Cb 0.60 -2.50 -0.02 0.00 0.00 0.00 0.00 19.45 17.53 2dmf n ALA 49 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2dmf n THR 50 N 6.89 1.50 -2.90 0.00 -2.24 -1.26 -4.86 114.28 111.41 2dmf n THR 50 Ca 0.62 -0.50 -0.42 0.00 -2.27 0.00 0.00 64.05 61.49 2dmf n THR 50 Cb 0.16 -0.11 0.01 0.00 -2.10 0.00 0.00 70.33 68.28 2dmf n THR 50 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2dmf n ALA 51 N -0.43 5.43 -3.50 6.98 0.00 -1.26 -4.77 120.51 122.95 2dmf n ALA 51 Ca 0.14 -4.75 -0.22 0.00 0.00 0.00 0.00 53.44 48.62 2dmf n ALA 51 Cb 0.32 -2.23 -0.04 0.00 0.00 0.00 0.00 19.45 17.50 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 0.85 -1.82 -4.41 0.00 -0.58 -1.26 0.20 120.64 113.61 2dmf n GLU 52 Ca 0.33 0.07 -0.38 0.00 -0.42 0.00 0.00 57.16 56.75 2dmf n GLU 52 Cb 0.31 -4.54 -0.07 0.00 -0.57 0.00 0.00 31.44 26.57 2dmf n GLU 52 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 2dmf n ASP 53 N -1.95 -1.33 -0.07 1.62 2.03 -1.26 -4.81 116.55 110.77 2dmf n ASP 53 Ca 0.06 -1.21 -0.21 0.00 0.52 0.00 0.00 54.79 53.95 2dmf n ASP 53 Cb 0.47 -1.86 -0.13 0.00 -0.72 0.00 0.00 41.12 38.88 2dmf n ASP 53 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2dmf n GLN 54 N -4.26 0.68 -4.59 -0.67 1.13 0.13 -5.01 117.38 104.79 2dmf n GLN 54 Ca -0.02 0.27 -0.31 0.00 -1.94 0.00 0.00 57.00 55.00 2dmf n GLN 54 Cb 0.53 -1.63 -0.07 0.00 0.11 0.00 0.00 30.24 29.18 2dmf n GLN 54 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 2dmf s ASP 55 N -6.91 4.21 0.33 1.08 1.01 -1.26 -5.14 116.67 109.99 2dmf s ASP 55 Ca -0.29 -1.56 -0.15 0.00 0.71 0.00 0.00 52.55 51.26 2dmf s ASP 55 Cb 0.08 0.43 -0.09 0.00 1.01 0.00 0.00 42.92 44.35 2dmf s ASP 55 CO 0.66 -0.87 0.75 -0.94 0.21 0.00 0.00 175.17 174.99 2dmf s SER 56 N -3.94 6.79 -0.15 0.27 1.04 -1.26 -4.94 113.70 111.51 2dmf s SER 56 Ca 0.13 1.31 -0.29 0.00 0.48 0.00 0.00 55.95 57.57 2dmf s SER 56 Cb 0.01 -2.38 -0.01 0.00 0.10 0.00 0.00 66.02 63.75 2dmf s SER 56 CO 0.07 -0.22 1.06 -1.10 0.98 0.00 0.00 173.24 174.03 2dmf s GLN 57 N -2.99 4.34 -0.03 4.02 -0.21 -1.26 -4.95 119.66 118.57 2dmf s GLN 57 Ca 0.55 1.43 -0.03 0.00 0.02 0.00 0.00 55.36 57.32 2dmf s GLN 57 Cb -0.10 -3.60 -0.01 0.00 1.00 0.00 0.00 33.01 30.30 2dmf s GLN 57 CO 0.17 -0.48 -0.06 0.98 -2.12 0.00 0.00 175.29 173.79 2dmf n TYR 58 N 5.65 0.12 -1.96 0.91 9.36 -1.26 -4.94 117.16 125.04 2dmf n TYR 58 Ca 0.11 0.05 -0.41 0.00 3.32 0.00 0.00 57.90 60.97 2dmf n TYR 58 Cb 0.47 -0.26 -0.02 0.00 -0.63 0.00 0.00 39.34 38.90 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 -1.34 2.49 -0.29 2.97 0.11 -1.26 -4.87 120.40 118.22 2dmf s VAL 59 Ca -0.05 0.43 -0.18 0.00 -2.93 0.00 0.00 61.98 59.25 2dmf s VAL 59 Cb 0.01 -3.28 0.13 0.00 -1.53 0.00 0.00 36.38 31.71 2dmf s VAL 59 CO 0.07 0.08 0.96 0.00 -3.33 0.00 0.00 175.10 172.87 2dmf s PHE 61 N 1.08 0.92 -0.63 0.00 -0.71 -1.26 -2.39 117.98 114.98 2dmf s PHE 61 Ca -0.06 -0.56 -0.27 0.00 -1.04 0.00 0.00 56.93 55.00 2dmf s PHE 61 Cb -0.04 -0.95 -0.00 0.00 -1.21 0.00 0.00 43.02 40.81 2dmf s PHE 61 CO -0.13 -0.48 1.64 0.99 -1.34 0.00 0.00 175.22 175.89 2dmf s THR 62 N 1.89 3.51 -0.49 -4.49 2.01 -0.69 -4.12 115.64 113.27 2dmf s THR 62 Ca 0.02 0.32 -0.28 0.00 0.31 0.00 0.00 61.69 62.07 2dmf s THR 62 Cb -0.15 -4.27 -0.01 0.00 0.01 0.00 0.00 72.50 68.08 2dmf s THR 62 CO -0.07 -1.20 1.70 -0.22 -0.69 0.00 0.00 174.62 174.14 2dmf s LEU 63 N 7.70 3.42 -0.07 4.42 0.20 -0.90 -1.96 118.68 131.49 2dmf s LEU 63 Ca 0.57 0.70 -0.22 0.00 0.69 0.00 0.00 54.13 55.87 2dmf s LEU 63 Cb -0.11 -3.08 -0.04 0.00 -0.43 0.00 0.00 46.19 42.53 2dmf s LEU 63 CO 0.20 -1.91 0.64 -0.69 -0.29 0.00 0.00 176.35 174.30 2dmf s VAL 64 N 7.32 5.05 -0.30 1.68 1.01 -0.44 -3.38 120.40 131.34 2dmf s VAL 64 Ca 0.68 1.33 0.02 0.00 0.00 0.00 0.00 61.98 64.00 2dmf s VAL 64 Cb -0.16 -3.98 0.09 0.00 0.00 0.00 0.00 36.38 32.33 2dmf s VAL 64 CO 0.27 0.29 0.02 -0.76 0.00 0.00 0.00 175.10 174.93 2dmf s LEU 65 N 0.61 3.41 -0.41 3.92 1.43 0.19 -2.57 118.68 125.25 2dmf s LEU 65 Ca 0.34 -1.70 -0.17 0.00 -1.03 0.00 0.00 54.13 51.57 2dmf s LEU 65 Cb -0.17 -1.30 0.02 0.00 0.03 0.00 0.00 46.19 44.77 2dmf s LEU 65 CO 0.17 -0.34 0.45 -1.58 0.23 0.00 0.00 176.35 175.28 2dmf s GLN 66 N 1.24 3.15 -0.50 1.70 0.74 -1.11 -1.23 119.66 123.65 2dmf s GLN 66 Ca 0.05 -0.70 -0.20 0.00 0.05 0.00 0.00 55.36 54.56 2dmf s GLN 66 Cb -0.19 -3.95 0.05 0.00 1.10 0.00 0.00 33.01 30.02 2dmf s GLN 66 CO -0.12 -0.83 0.66 0.08 -0.55 0.00 0.00 175.29 174.53 2dmf s VAL 67 N 2.18 4.81 0.71 1.34 1.01 0.17 -1.41 120.40 129.22 2dmf s VAL 67 Ca 0.13 -0.31 -0.12 0.00 0.00 0.00 0.00 61.98 61.68 2dmf s VAL 67 Cb -0.17 -4.31 0.18 0.00 0.00 0.00 0.00 36.38 32.08 2dmf s VAL 67 CO 0.14 -0.81 0.63 -0.81 0.00 0.00 0.00 175.10 174.25 2dmf n PRO 68 N 6.33 -2.25 0.08 2.72 -0.04 -1.26 -0.93 135.00 139.64 2dmf n PRO 68 Ca -0.05 -1.01 -0.09 0.00 -0.04 0.00 0.00 63.50 62.31 2dmf n PRO 68 Cb 0.46 -0.94 0.01 0.00 -0.04 0.00 0.00 33.50 32.98 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 -2.43 0.55 -0.55 0.55 0.00 -1.92 -3.24 119.26 112.21 2dmf h ALA 69 Ca -0.24 -0.68 -0.08 0.00 0.00 0.00 0.00 54.91 53.91 2dmf h ALA 69 Cb 0.72 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 2dmf h ALA 69 CO 0.16 0.85 0.04 0.93 0.00 0.00 0.00 179.25 181.23 2dmf h GLU 70 N 0.16 0.95 -3.90 0.00 4.39 -1.93 -3.45 114.58 110.79 2dmf h GLU 70 Ca -0.04 -0.28 -0.42 0.00 0.34 0.00 0.00 59.36 58.95 2dmf h GLU 70 Cb 1.44 -0.10 0.08 0.00 -0.10 0.00 0.00 28.75 30.07 2dmf h GLU 70 CO 0.13 0.93 -0.44 0.98 -1.16 0.00 0.00 179.01 179.46 2dmf n TYR 71 N -4.30 -0.69 0.18 4.33 4.19 -1.22 -2.13 117.16 117.52 2dmf n TYR 71 Ca 0.02 0.55 0.03 0.00 3.31 0.00 0.00 57.90 61.82 2dmf n TYR 71 Cb 0.30 -1.23 0.34 0.00 0.49 0.00 0.00 39.34 39.24 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 0.50 0.00 -0.49 2.98 0.13 -1.88 -3.44 132.00 129.80 2dmf h PRO 72 Ca -0.20 0.00 0.18 0.00 -0.87 0.00 0.00 66.00 65.10 2dmf h PRO 72 Cb 0.94 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 31.98 2dmf h PRO 72 CO 0.35 0.41 0.16 0.72 -0.23 0.00 0.00 178.00 179.41 2dmf n HIS 73 N -3.82 0.47 -4.00 1.56 8.25 -0.91 -3.59 115.22 113.18 2dmf n HIS 73 Ca -0.01 0.58 -0.35 0.00 -0.26 0.00 0.00 57.72 57.68 2dmf n HIS 73 Cb 0.47 -0.96 -0.13 0.00 1.12 0.00 0.00 29.99 30.49 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 -4.98 3.62 0.45 -0.41 2.12 -1.24 -4.77 118.70 113.49 2dmf s GLU 74 Ca -0.05 -0.52 -0.25 0.00 0.36 0.00 0.00 54.97 54.51 2dmf s GLU 74 Cb 0.16 -3.12 -0.08 0.00 0.26 0.00 0.00 34.13 31.34 2dmf s GLU 74 CO 0.38 -0.03 1.45 0.14 -0.54 0.00 0.00 175.26 176.66 2dmf s VAL 75 N 1.13 2.01 0.21 3.70 -7.23 -1.24 -3.59 120.40 115.39 2dmf s VAL 75 Ca 0.03 0.01 -0.30 0.00 -1.81 0.00 0.00 61.98 59.91 2dmf s VAL 75 Cb -0.14 -3.00 -0.09 0.00 0.56 0.00 0.00 36.38 33.70 2dmf s VAL 75 CO 0.02 0.00 1.30 -2.16 -0.31 0.00 0.00 175.10 173.94 2dmf s PRO 76 N -2.44 4.40 -0.50 4.82 0.04 -1.26 -4.82 135.00 135.25 2dmf s PRO 76 Ca 0.61 2.05 -0.27 0.00 0.04 0.00 0.00 61.00 63.43 2dmf s PRO 76 Cb -0.45 -3.19 -0.04 0.00 0.04 0.00 0.00 34.50 30.86 2dmf s PRO 76 CO 0.58 -0.23 2.09 -1.14 0.04 0.00 0.00 177.00 178.34 2dmf s GLN 77 N -0.26 2.56 -0.17 4.56 0.74 -0.50 -4.71 119.66 121.89 2dmf s GLN 77 Ca 0.56 1.14 -0.24 0.00 0.05 0.00 0.00 55.36 56.86 2dmf s GLN 77 Cb -0.36 -4.44 -0.02 0.00 1.10 0.00 0.00 33.01 29.29 2dmf s GLN 77 CO 0.39 -2.77 0.78 0.42 -0.55 0.00 0.00 175.29 173.56 2dmf s ILE 78 N 9.91 4.92 -0.03 -2.34 1.01 -1.26 -2.76 121.20 130.65 2dmf s ILE 78 Ca 0.83 1.52 -0.04 0.00 0.00 0.00 0.00 60.65 62.96 2dmf s ILE 78 Cb -0.17 -4.09 0.01 0.00 0.01 0.00 0.00 42.46 38.22 2dmf s ILE 78 CO 0.26 0.06 0.11 -0.44 0.00 0.00 0.00 174.94 174.93 2dmf s SER 79 N 1.14 -0.08 -0.07 3.58 0.01 -1.06 -5.01 113.70 112.20 2dmf s SER 79 Ca 0.36 0.14 -0.20 0.00 1.31 0.00 0.00 55.95 57.57 2dmf s SER 79 Cb -0.16 0.22 -0.04 0.00 0.21 0.00 0.00 66.02 66.24 2dmf s SER 79 CO 0.12 -0.09 0.56 -0.63 0.41 0.00 0.00 173.24 173.62 2dmf s ILE 80 N -0.16 5.08 -0.06 1.44 -1.09 -1.26 -1.32 121.20 123.82 2dmf s ILE 80 Ca -0.02 1.15 0.05 0.00 -2.23 0.00 0.00 60.65 59.59 2dmf s ILE 80 Cb -0.02 -3.90 -0.00 0.00 -1.58 0.00 0.00 42.46 36.96 2dmf s ILE 80 CO 0.00 0.34 -0.21 -0.60 -1.23 0.00 0.00 174.94 173.24 2dmf s ARG 81 N 0.42 2.33 -1.06 2.79 3.52 -0.83 -4.75 118.95 121.37 2dmf s ARG 81 Ca 0.30 -0.77 -0.00 0.00 -0.13 0.00 0.00 55.73 55.13 2dmf s ARG 81 Cb -0.17 -1.93 -0.00 0.00 -1.56 0.00 0.00 34.95 31.29 2dmf s ARG 81 CO 0.14 0.27 0.88 0.09 -0.81 0.00 0.00 175.30 175.88 2dmf n ASN 82 N 3.19 -2.17 -4.65 -2.12 4.13 -1.26 -1.70 115.26 110.68 2dmf n ASN 82 Ca -0.18 -0.55 -0.43 0.00 1.68 0.00 0.00 54.58 55.10 2dmf n ASN 82 Cb 0.52 -4.61 -0.03 0.00 -1.54 0.00 0.00 39.78 34.13 2dmf n ASN 82 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 2dmf s PRO 83 N -5.17 4.04 -0.09 3.52 0.04 -1.26 -4.50 135.00 131.57 2dmf s PRO 83 Ca 0.01 1.87 0.04 0.00 0.04 0.00 0.00 61.00 62.96 2dmf s PRO 83 Cb -0.00 -3.96 -0.01 0.00 0.04 0.00 0.00 34.50 30.57 2dmf s PRO 83 CO 0.65 -1.00 -0.22 0.50 0.04 0.00 0.00 177.00 176.97 2dmf s ARG 84 N 4.18 2.95 0.00 4.56 6.06 -1.01 -4.75 118.95 130.93 2dmf s ARG 84 Ca 0.69 -0.84 0.00 0.00 -2.50 0.00 0.00 55.73 53.07 2dmf s ARG 84 Cb -0.27 -2.33 0.00 0.00 0.06 0.00 0.00 34.95 32.41 2dmf s ARG 84 CO 0.26 0.26 0.00 0.41 -2.50 0.00 0.00 175.30 173.74 2dmf n GLY 85 N 3.30 1.77 3.74 8.12 0.00 -1.26 -3.58 105.19 117.29 2dmf n GLY 85 Ca -0.18 -0.14 -0.41 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 4.46 0.48 0.99 1.43 -1.26 -4.76 118.68 120.02 2dmf s LEU 86 Ca 0.00 2.32 0.08 0.00 -1.03 0.00 0.00 54.13 55.50 2dmf s LEU 86 Cb 0.00 -3.62 0.03 0.00 0.03 0.00 0.00 46.19 42.64 2dmf s LEU 86 CO 0.00 -0.37 0.60 -0.55 0.23 0.00 0.00 176.35 176.25 2dmf s SER 87 N -0.08 5.29 0.29 2.29 0.15 -1.26 -4.83 113.70 115.55 2dmf s SER 87 Ca 0.52 -0.68 0.02 0.00 0.70 0.00 0.00 55.95 56.50 2dmf s SER 87 Cb -0.34 -0.24 0.72 0.00 -1.71 0.00 0.00 66.02 64.45 2dmf s SER 87 CO 0.39 -0.96 1.63 0.44 1.20 0.00 0.00 173.24 175.95 2dmf h ASP 88 N 0.56 -0.07 0.09 5.45 3.32 -1.98 0.13 116.42 123.93 2dmf h ASP 88 Ca -0.37 0.21 -0.00 0.00 0.02 0.00 0.00 57.03 56.89 2dmf h ASP 88 Cb 1.28 0.30 -0.00 0.00 0.22 0.00 0.00 39.33 41.13 2dmf h ASP 88 CO 0.47 -0.19 -0.05 -0.08 -1.72 0.00 0.00 179.24 177.66 2dmf h GLU 89 N 0.17 -0.13 -0.56 3.56 4.22 -2.00 -0.21 114.58 119.63 2dmf h GLU 89 Ca 0.56 0.01 0.11 0.00 0.08 0.00 0.00 59.36 60.11 2dmf h GLU 89 Cb 1.15 0.03 -0.11 0.00 0.50 0.00 0.00 28.75 30.31 2dmf h GLU 89 CO -0.69 -0.09 -0.28 1.96 -2.18 0.00 0.00 179.01 177.74 2dmf h GLN 90 N -0.13 -0.13 -0.12 1.92 4.20 -1.80 -1.77 115.11 117.28 2dmf h GLN 90 Ca -0.01 0.01 0.04 0.00 0.06 0.00 0.00 58.65 58.75 2dmf h GLN 90 Cb 0.11 0.03 -0.07 0.00 0.30 0.00 0.00 27.48 27.85 2dmf h GLN 90 CO 0.01 -0.09 -0.44 0.82 -0.67 0.00 0.00 178.83 178.47 2dmf h ILE 91 N -0.14 0.12 -0.72 2.54 2.04 -0.74 -1.60 117.51 119.01 2dmf h ILE 91 Ca 0.24 0.00 0.17 0.00 1.00 0.00 0.00 64.86 66.27 2dmf h ILE 91 Cb 0.52 0.12 -0.14 0.00 -0.74 0.00 0.00 36.82 36.59 2dmf h ILE 91 CO -0.64 0.00 -0.09 1.57 0.00 0.00 0.00 178.15 178.99 2dmf n HIS 92 N -5.44 0.35 -0.02 1.37 -0.00 -0.10 0.16 115.22 111.55 2dmf n HIS 92 Ca -0.05 0.88 -0.11 0.00 0.46 0.00 0.00 57.72 58.90 2dmf n HIS 92 Cb 0.37 -0.98 -0.05 0.00 -0.12 0.00 0.00 29.99 29.21 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 1.08 -0.55 3.57 2.02 -1.22 -1.68 112.91 116.13 2dmf h THR 93 Ca 0.39 -0.23 0.11 0.00 0.77 0.00 0.00 66.41 67.45 2dmf h THR 93 Cb 0.70 1.01 -0.11 0.00 -1.74 0.00 0.00 68.15 68.02 2dmf h THR 93 CO -0.71 0.08 -0.16 0.40 0.37 0.00 0.00 175.52 175.49 2dmf h ILE 94 N 0.11 0.41 0.47 3.11 2.04 0.17 -1.34 117.51 122.48 2dmf h ILE 94 Ca 0.04 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.88 2dmf h ILE 94 Cb 0.06 0.41 0.00 0.00 -0.74 0.00 0.00 36.82 36.56 2dmf h ILE 94 CO -0.01 0.00 -0.23 -0.07 0.00 0.00 0.00 178.15 177.84 2dmf h LEU 95 N -0.03 -0.54 -0.77 1.44 3.38 -1.22 -1.99 115.31 115.58 2dmf h LEU 95 Ca 0.26 0.02 0.14 0.00 0.09 0.00 0.00 57.88 58.39 2dmf h LEU 95 Cb 0.43 0.14 -0.14 0.00 0.09 0.00 0.00 40.66 41.18 2dmf h LEU 95 CO -0.58 -0.35 -0.25 0.00 0.09 0.00 0.00 178.44 177.36 2dmf n GLN 96 N -3.94 -0.13 0.00 1.13 1.13 -0.65 -0.30 117.38 114.63 2dmf n GLN 96 Ca -0.08 1.19 0.00 0.00 -1.94 0.00 0.00 57.00 56.17 2dmf n GLN 96 Cb 0.25 -1.78 0.00 0.00 0.11 0.00 0.00 30.24 28.83 2dmf n GLN 96 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 2dmf n VAL 97 N -5.19 0.00 -0.27 5.09 0.31 -0.53 -1.18 118.33 116.56 2dmf n VAL 97 Ca 0.10 1.32 0.25 0.00 -0.01 0.00 0.00 64.34 66.00 2dmf n VAL 97 Cb 0.35 -2.30 0.46 0.00 -0.91 0.00 0.00 33.84 31.43 2dmf n VAL 97 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2dmf n LEU 98 N -1.57 0.24 -0.06 7.52 4.77 -0.69 0.13 117.00 127.33 2dmf n LEU 98 Ca 0.00 1.39 -0.12 0.00 -0.03 0.00 0.00 56.01 57.26 2dmf n LEU 98 Cb 0.00 -0.66 -0.06 0.00 -2.33 0.00 0.00 43.42 40.38 2dmf n LEU 98 CO 0.00 -1.54 0.71 1.23 -1.33 0.00 0.00 177.39 176.46 2dmf h GLY 99 N 0.00 0.37 0.38 -0.72 0.00 -0.55 -3.06 103.07 99.49 2dmf h GLY 99 Ca 0.68 -0.29 0.14 0.00 0.00 0.00 0.00 47.33 47.86 2dmf h GLY 99 CO -0.66 0.27 0.63 0.84 0.00 0.00 0.00 176.54 177.61 2dmf h HIS 100 N 0.06 1.12 -0.82 5.60 -0.00 0.26 -0.63 115.15 120.73 2dmf h HIS 100 Ca 0.05 0.03 0.02 0.00 -0.00 0.00 0.00 60.37 60.47 2dmf h HIS 100 Cb 0.46 -0.35 -0.04 0.00 -0.00 0.00 0.00 27.41 27.48 2dmf h HIS 100 CO 0.05 0.39 0.54 0.28 -0.00 0.00 0.00 177.93 179.19 2dmf h VAL 101 N 0.93 1.17 0.64 5.26 2.07 -1.29 -0.77 116.25 124.25 2dmf h VAL 101 Ca 0.52 -0.37 -0.03 0.00 0.82 0.00 0.00 66.70 67.64 2dmf h VAL 101 Cb 0.61 0.00 0.01 0.00 -1.52 0.00 0.00 31.29 30.39 2dmf h VAL 101 CO -0.29 0.20 -0.31 0.00 0.02 0.00 0.00 177.57 177.19 2dmf h ALA 102 N 1.32 -0.99 -1.01 1.67 0.00 -1.07 0.11 119.26 119.29 2dmf h ALA 102 Ca 0.31 -0.19 0.23 0.00 0.00 0.00 0.00 54.91 55.27 2dmf h ALA 102 Cb -0.07 0.33 -0.11 0.00 0.00 0.00 0.00 17.79 17.94 2dmf h ALA 102 CO -0.09 -0.92 0.61 0.87 0.00 0.00 0.00 179.25 179.72 2dmf h LYS 103 N -1.05 0.57 -0.01 0.00 1.57 -1.35 0.42 116.57 116.72 2dmf h LYS 103 Ca -0.09 -0.03 -0.15 0.00 -1.87 0.00 0.00 60.65 58.51 2dmf h LYS 103 Cb 0.65 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.82 2dmf h LYS 103 CO 0.14 0.38 -0.68 0.00 -0.57 0.00 0.00 179.45 178.72 2dmf h ALA 104 N 1.69 0.84 -1.01 3.86 0.00 -1.08 -3.23 119.26 120.33 2dmf h ALA 104 Ca 0.62 -0.61 -0.66 0.00 0.00 0.00 0.00 54.91 54.25 2dmf h ALA 104 Cb 1.19 -0.10 -0.33 0.00 0.00 0.00 0.00 17.79 18.55 2dmf h ALA 104 CO -0.42 0.83 0.37 0.41 0.00 0.00 0.00 179.25 180.44 2dmf n GLY 105 N 0.43 5.92 3.79 0.00 0.00 0.14 -5.03 105.19 110.45 2dmf n GLY 105 Ca -0.02 -2.48 -0.33 0.00 0.00 0.00 0.00 46.02 43.19 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 -3.81 3.51 0.00 0.99 1.43 -0.60 -3.54 118.68 116.66 2dmf s LEU 106 Ca 0.57 1.88 0.00 0.00 -1.03 0.00 0.00 54.13 55.55 2dmf s LEU 106 Cb 0.46 -4.54 0.00 0.00 0.03 0.00 0.00 46.19 42.14 2dmf s LEU 106 CO -0.12 -1.25 0.00 0.61 0.23 0.00 0.00 176.35 175.82 2dmf n GLY 107 N -0.77 1.50 3.90 -3.19 0.00 -1.26 -4.95 105.19 100.43 2dmf n GLY 107 Ca 0.09 -0.15 -0.21 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.22 4.06 -0.18 2.61 -4.23 -1.23 -4.72 115.64 111.72 2dmf s THR 108 Ca 0.00 -1.21 -0.30 0.00 -1.18 0.00 0.00 61.69 59.00 2dmf s THR 108 Cb 0.00 -3.37 -0.07 0.00 1.34 0.00 0.00 72.50 70.40 2dmf s THR 108 CO 0.00 -0.22 2.15 0.00 -0.54 0.00 0.00 174.62 176.02 2dmf n ALA 109 N -1.43 1.59 -0.10 3.99 0.00 -1.26 -4.81 120.51 118.49 2dmf n ALA 109 Ca -0.03 -0.11 -0.12 0.00 0.00 0.00 0.00 53.44 53.18 2dmf n ALA 109 Cb 0.59 -2.80 -0.11 0.00 0.00 0.00 0.00 19.45 17.12 2dmf n ALA 109 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2dmf n MET 110 N 8.32 0.84 -0.06 0.00 3.85 -1.26 -4.61 117.12 124.20 2dmf n MET 110 Ca 0.29 0.07 -0.02 0.00 -1.00 0.00 0.00 57.70 57.05 2dmf n MET 110 Cb 0.40 -1.43 -0.01 0.00 -1.05 0.00 0.00 33.22 31.13 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 -2.92 -0.15 -0.32 3.17 4.77 -1.26 0.16 117.00 120.45 2dmf n LEU 111 Ca -0.33 0.82 0.23 0.00 -0.03 0.00 0.00 56.01 56.70 2dmf n LEU 111 Cb 0.96 -0.32 0.45 0.00 -2.33 0.00 0.00 43.42 42.18 2dmf n LEU 111 CO 0.27 -0.49 1.04 0.22 -1.33 0.00 0.00 177.39 177.10 2dmf h TYR 112 N 0.00 0.69 0.19 -1.77 5.03 -1.98 -0.81 116.97 118.32 2dmf h TYR 112 Ca 0.02 0.04 -0.01 0.00 2.58 0.00 0.00 58.73 61.37 2dmf h TYR 112 Cb 0.06 -0.14 0.00 0.00 1.55 0.00 0.00 36.73 38.20 2dmf h TYR 112 CO -0.68 -0.29 -0.09 0.93 -1.32 0.00 0.00 178.16 176.71 2dmf h GLU 113 N 0.18 -0.25 -0.83 1.82 5.08 0.13 -2.94 114.58 117.78 2dmf h GLU 113 Ca 0.72 0.02 0.32 0.00 -1.00 0.00 0.00 59.36 59.41 2dmf h GLU 113 Cb 1.67 0.06 -0.15 0.00 0.50 0.00 0.00 28.75 30.83 2dmf h GLU 113 CO -0.69 -0.17 0.33 1.28 -1.00 0.00 0.00 179.01 178.76 2dmf n LEU 114 N -3.29 0.19 -0.03 1.33 4.77 0.14 0.16 117.00 120.27 2dmf n LEU 114 Ca -0.03 1.39 -0.11 0.00 -0.03 0.00 0.00 56.01 57.22 2dmf n LEU 114 Cb 0.10 -0.63 -0.06 0.00 -2.33 0.00 0.00 43.42 40.51 2dmf n LEU 114 CO 0.08 -1.51 0.84 0.40 -1.33 0.00 0.00 177.39 175.87 2dmf h ILE 115 N 0.00 1.14 0.06 -0.08 2.04 -1.22 -2.82 117.51 116.62 2dmf h ILE 115 Ca 0.65 -0.41 -0.00 0.00 1.00 0.00 0.00 64.86 66.10 2dmf h ILE 115 Cb 1.65 1.17 -0.00 0.00 -0.74 0.00 0.00 36.82 38.89 2dmf h ILE 115 CO -0.68 0.13 -0.07 -0.33 0.00 0.00 0.00 178.15 177.20 2dmf h GLU 116 N 0.07 -0.13 -0.85 2.37 4.39 0.17 -3.03 114.58 117.57 2dmf h GLU 116 Ca 0.04 0.01 0.09 0.00 0.34 0.00 0.00 59.36 59.84 2dmf h GLU 116 Cb 0.15 0.03 -0.11 0.00 -0.10 0.00 0.00 28.75 28.72 2dmf h GLU 116 CO -0.00 -0.08 -0.48 1.17 -1.16 0.00 0.00 179.01 178.45 2dmf n LYS 117 N -2.75 -0.35 -0.33 2.33 3.00 -0.94 0.11 118.16 119.24 2dmf n LYS 117 Ca -0.02 1.29 0.31 0.00 -0.00 0.00 0.00 58.31 59.90 2dmf n LYS 117 Cb 0.06 -1.90 0.56 0.00 0.00 0.00 0.00 35.03 33.75 2dmf n LYS 117 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2dmf n GLY 118 N -1.24 -0.71 0.25 3.14 0.00 -1.06 0.17 105.19 105.74 2dmf n GLY 118 Ca 0.03 0.73 -0.08 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 0.83 -0.26 1.61 1.57 0.91 -2.01 116.57 119.23 2dmf h LYS 119 Ca 0.78 -0.15 -0.12 0.00 -1.87 0.00 0.00 60.65 59.29 2dmf h LYS 119 Cb 2.20 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 34.36 2dmf h LYS 119 CO -0.63 0.73 -0.33 1.05 -0.57 0.00 0.00 179.45 179.70 2dmf h GLU 120 N 0.76 0.55 -0.45 3.15 4.11 0.18 0.06 114.58 122.93 2dmf h GLU 120 Ca 0.18 -0.25 -0.03 0.00 0.07 0.00 0.00 59.36 59.34 2dmf h GLU 120 Cb 0.21 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 2dmf h GLU 120 CO -0.01 0.81 0.18 0.82 0.07 0.00 0.00 179.01 180.88 2dmf h ILE 121 N 0.46 1.20 -0.06 -1.06 2.04 -0.89 -2.77 117.51 116.45 2dmf h ILE 121 Ca 0.05 -0.62 -0.22 0.00 1.00 0.00 0.00 64.86 65.07 2dmf h ILE 121 Cb 0.80 0.77 0.02 0.00 -0.74 0.00 0.00 36.82 37.67 2dmf h ILE 121 CO 0.07 0.23 -0.83 0.25 0.00 0.00 0.00 178.15 177.87 2dmf h LEU 122 N 0.59 0.83 -1.47 1.44 5.85 -1.29 -3.06 115.31 118.20 2dmf h LEU 122 Ca 0.15 -0.70 0.24 0.00 0.84 0.00 0.00 57.88 58.41 2dmf h LEU 122 Cb 0.19 -0.25 -0.08 0.00 0.37 0.00 0.00 40.66 40.89 2dmf h LEU 122 CO -0.01 1.41 0.65 0.74 -0.34 0.00 0.00 178.44 180.88 2dmf h THR 123 N 0.32 0.59 0.05 1.05 2.02 -0.90 0.35 112.91 116.40 2dmf h THR 123 Ca -0.09 -0.13 -0.00 0.00 0.77 0.00 0.00 66.41 66.96 2dmf h THR 123 Cb 1.49 0.18 0.00 0.00 -1.74 0.00 0.00 68.15 68.08 2dmf h THR 123 CO 0.17 0.07 -0.02 -0.78 0.37 0.00 0.00 175.52 175.32 2dmf h ASP 124 N 0.38 -0.05 -0.72 4.18 1.82 -1.50 -3.31 116.42 117.22 2dmf h ASP 124 Ca 0.53 -0.61 -0.49 0.00 -0.39 0.00 0.00 57.03 56.07 2dmf h ASP 124 Cb 1.39 0.01 -0.21 0.00 0.68 0.00 0.00 39.33 41.20 2dmf h ASP 124 CO -0.22 0.65 0.64 -0.46 -1.61 0.00 0.00 179.24 178.24 2dmf n ASN 125 N -4.77 7.05 0.16 2.28 0.23 -0.64 -4.57 115.26 114.99 2dmf n ASN 125 Ca -0.08 -3.41 0.14 0.00 -0.53 0.00 0.00 54.58 50.70 2dmf n ASN 125 Cb 0.33 -1.02 0.70 0.00 -2.08 0.00 0.00 39.78 37.71 2dmf n ASN 125 CO 0.00 0.00 0.00 -1.13 -0.93 0.00 0.00 177.26 175.20 2dmf h ASN 126 N 1.72 0.00 -3.37 0.53 -1.24 -0.43 -3.40 115.58 109.38 2dmf h ASN 126 Ca 0.44 0.00 -0.58 0.00 0.71 0.00 0.00 56.30 56.87 2dmf h ASN 126 Cb 0.87 0.00 -0.08 0.00 0.73 0.00 0.00 38.32 39.84 2dmf h ASN 126 CO 1.16 0.00 -0.02 -0.63 -1.29 0.00 0.00 177.43 176.65 2dmf s ILE 127 N -4.96 5.11 0.21 2.57 1.09 -1.26 -4.76 121.20 119.20 2dmf s ILE 127 Ca -0.05 1.12 -0.03 0.00 -1.10 0.00 0.00 60.65 60.59 2dmf s ILE 127 Cb 0.18 -3.90 -0.02 0.00 -1.06 0.00 0.00 42.46 37.66 2dmf s ILE 127 CO 0.67 0.24 1.56 1.55 -0.10 0.00 0.00 174.94 178.86 2dmf h PRO 128 N 7.00 0.61 -0.87 2.79 0.13 -1.86 -3.26 132.00 136.54 2dmf h PRO 128 Ca -0.38 -0.32 0.13 0.00 -0.87 0.00 0.00 66.00 64.56 2dmf h PRO 128 Cb 1.17 0.01 -0.14 0.00 0.13 0.00 0.00 31.00 32.17 2dmf h PRO 128 CO 0.76 0.92 -0.42 0.45 -0.23 0.00 0.00 178.00 179.48 2dmf h HIS 129 N 0.50 -1.21 0.00 1.56 3.86 -1.93 -3.45 115.15 114.47 2dmf h HIS 129 Ca 0.04 0.10 0.00 0.00 -1.16 0.00 0.00 60.37 59.35 2dmf h HIS 129 Cb 0.94 0.65 0.00 0.00 1.06 0.00 0.00 27.41 30.06 2dmf h HIS 129 CO 0.04 -0.40 0.00 0.41 0.86 0.00 0.00 177.93 178.84 2dmf n GLY 130 N -1.43 -1.49 0.10 2.45 0.00 -1.23 -4.42 105.19 99.18 2dmf n GLY 130 Ca 0.07 -2.04 -0.19 0.00 0.00 0.00 0.00 46.02 43.86 2dmf n GLY 130 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2dmf n GLN 131 N 0.00 0.54 -0.04 1.61 6.02 -1.26 -4.85 117.38 119.40 2dmf n GLN 131 Ca 0.00 0.52 -0.07 0.00 -0.01 0.00 0.00 57.00 57.44 2dmf n GLN 131 Cb 0.00 -1.69 -0.02 0.00 1.02 0.00 0.00 30.24 29.54 2dmf n GLN 131 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 2dmf n SER 132 N -4.45 1.48 0.00 1.08 2.88 -1.26 -5.15 113.62 108.19 2dmf n SER 132 Ca -0.29 0.23 0.00 0.00 -1.33 0.00 0.00 58.87 57.48 2dmf n SER 132 Cb 0.61 -0.54 0.00 0.00 -0.75 0.00 0.00 64.21 63.53 2dmf n SER 132 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dmf n GLY 133 N 2.33 3.31 0.00 0.46 0.00 -1.26 -4.80 105.19 105.23 2dmf n GLY 133 Ca -0.12 -1.93 0.07 0.00 0.00 0.00 0.00 46.02 44.05 2dmf n GLY 133 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dmf n PRO 134 N -1.04 0.49 -3.34 1.61 -0.04 -1.26 -4.51 135.00 126.91 2dmf n PRO 134 Ca 0.00 0.00 -0.45 0.00 -0.04 0.00 0.00 63.50 63.01 2dmf n PRO 134 Cb 0.00 -1.48 -0.06 0.00 -0.04 0.00 0.00 33.50 31.92 2dmf n PRO 134 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2dmf s SER 135 N -1.98 6.17 -0.25 3.54 0.15 -1.26 -5.02 113.70 115.05 2dmf s SER 135 Ca 0.22 -1.54 0.01 0.00 0.70 0.00 0.00 55.95 55.34 2dmf s SER 135 Cb 0.10 -2.20 0.07 0.00 -1.71 0.00 0.00 66.02 62.28 2dmf s SER 135 CO 0.17 -0.76 -0.02 -0.55 1.20 0.00 0.00 173.24 173.28 2dmf s SER 136 N 3.09 3.88 0.00 5.45 0.15 -1.26 -5.11 113.70 119.90 2dmf s SER 136 Ca 0.04 -1.28 0.28 0.00 0.70 0.00 0.00 55.95 55.69 2dmf s SER 136 Cb -0.27 -1.15 0.99 0.00 -1.71 0.00 0.00 66.02 63.88 2dmf s SER 136 CO 0.05 -0.27 1.71 0.61 1.20 0.00 0.00 173.24 176.54