#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 -0.08 -0.27 1.61 1.04 -1.26 -5.14 113.70 109.60 2dmf s SER 2 Ca 0.00 -0.93 0.02 0.00 0.48 0.00 0.00 55.95 55.52 2dmf s SER 2 Cb 0.00 0.56 0.06 0.00 0.10 0.00 0.00 66.02 66.74 2dmf s SER 2 CO 0.00 -1.10 -0.09 -0.44 0.98 0.00 0.00 173.24 172.59 2dmf s SER 3 N -3.02 4.53 0.00 7.02 0.01 -1.26 -5.00 113.70 115.98 2dmf s SER 3 Ca 0.22 -1.36 0.00 0.00 1.31 0.00 0.00 55.95 56.12 2dmf s SER 3 Cb 0.00 -1.58 0.00 0.00 0.21 0.00 0.00 66.02 64.65 2dmf s SER 3 CO 0.08 -0.20 0.00 0.61 0.41 0.00 0.00 173.24 174.14 2dmf n GLY 4 N 4.47 0.64 4.03 3.44 0.00 -1.26 -5.00 105.19 111.52 2dmf n GLY 4 Ca -0.14 -0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.56 2dmf n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2dmf n SER 5 N 0.00 -3.45 0.17 1.61 7.64 -1.26 -4.89 113.62 113.44 2dmf n SER 5 Ca 0.00 -0.90 -0.10 0.00 1.01 0.00 0.00 58.87 58.88 2dmf n SER 5 Cb 0.00 -3.34 -0.06 0.00 -1.01 0.00 0.00 64.21 59.80 2dmf n SER 5 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 2dmf h SER 6 N -1.81 -0.42 -1.64 6.43 0.87 -2.05 -3.50 113.55 111.43 2dmf h SER 6 Ca -0.59 -0.09 0.00 0.00 -1.23 0.00 0.00 61.79 59.88 2dmf h SER 6 Cb 1.38 0.11 0.00 0.00 -0.44 0.00 0.00 62.40 63.45 2dmf h SER 6 CO 0.70 0.03 0.00 0.61 -0.53 0.00 0.00 176.83 177.64 2dmf n GLY 7 N 0.28 -1.11 3.62 5.77 0.00 -1.26 -5.16 105.19 107.32 2dmf n GLY 7 Ca -0.08 -1.57 -0.29 0.00 0.00 0.00 0.00 46.02 44.09 2dmf n GLY 7 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2dmf s GLU 8 N -1.69 2.03 -0.62 1.61 8.01 -1.26 -5.11 118.70 121.68 2dmf s GLU 8 Ca 0.00 -2.26 0.04 0.00 0.01 0.00 0.00 54.97 52.76 2dmf s GLU 8 Cb 0.00 -1.03 0.16 0.00 -4.31 0.00 0.00 34.13 28.95 2dmf s GLU 8 CO 0.00 -0.41 0.42 -1.21 0.01 0.00 0.00 175.26 174.07 2dmf s GLU 9 N -3.78 2.10 -1.27 1.61 2.02 -1.26 -4.81 118.70 113.31 2dmf s GLU 9 Ca 0.17 -2.98 -0.07 0.00 0.02 0.00 0.00 54.97 52.11 2dmf s GLU 9 Cb 0.03 -3.06 0.01 0.00 0.10 0.00 0.00 34.13 31.20 2dmf s GLU 9 CO 0.10 -1.27 1.10 -0.25 0.02 0.00 0.00 175.26 174.96 2dmf n ASP 10 N 2.36 -5.21 -4.63 -0.19 8.00 -1.26 -4.87 116.55 110.75 2dmf n ASP 10 Ca 0.18 -0.54 -0.43 0.00 0.71 0.00 0.00 54.79 54.71 2dmf n ASP 10 Cb 0.36 -4.88 -0.03 0.00 -0.02 0.00 0.00 41.12 36.55 2dmf n ASP 10 CO 0.00 0.00 0.00 1.87 -0.39 0.00 0.00 177.20 178.68 2dmf n TRP 11 N -4.70 2.25 0.17 1.24 -0.00 -1.26 -4.84 117.44 110.30 2dmf n TRP 11 Ca -0.06 -0.23 0.08 0.00 -0.00 0.00 0.00 57.50 57.29 2dmf n TRP 11 Cb 0.58 -2.76 0.09 0.00 -0.00 0.00 0.00 31.31 29.22 2dmf n TRP 11 CO 0.00 0.00 0.00 -0.39 -0.00 0.00 0.00 177.69 177.30 2dmf h VAL 12 N 6.30 0.32 -0.37 5.87 -1.51 -1.92 -3.32 116.25 121.61 2dmf h VAL 12 Ca -0.45 -1.47 0.08 0.00 -1.23 0.00 0.00 66.70 63.63 2dmf h VAL 12 Cb 1.25 2.09 -0.08 0.00 -2.13 0.00 0.00 31.29 32.42 2dmf h VAL 12 CO 0.95 0.18 -0.14 0.25 -1.23 0.00 0.00 177.57 177.58 2dmf h LEU 13 N 0.00 -0.50 -0.89 4.19 7.12 -1.90 0.16 115.31 123.50 2dmf h LEU 13 Ca -0.01 0.13 -0.11 0.00 0.13 0.00 0.00 57.88 58.01 2dmf h LEU 13 Cb 1.16 0.29 -0.01 0.00 -0.53 0.00 0.00 40.66 41.57 2dmf h LEU 13 CO 0.02 -0.18 -0.47 1.55 -0.13 0.00 0.00 178.44 179.24 2dmf h PRO 14 N -0.07 0.20 0.28 5.25 0.13 -1.99 -2.87 132.00 132.93 2dmf h PRO 14 Ca 0.18 -0.10 -0.01 0.00 -0.87 0.00 0.00 66.00 65.19 2dmf h PRO 14 Cb 0.35 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.49 2dmf h PRO 14 CO -0.42 0.63 -0.13 0.77 -0.23 0.00 0.00 178.00 178.62 2dmf h SER 15 N 0.16 -0.31 -0.22 1.44 0.02 -1.38 -2.94 113.55 110.32 2dmf h SER 15 Ca 0.01 -0.16 0.04 0.00 -0.84 0.00 0.00 61.79 60.85 2dmf h SER 15 Cb 0.89 0.08 -0.04 0.00 0.14 0.00 0.00 62.40 63.47 2dmf h SER 15 CO 0.07 -0.01 -0.04 -0.08 -1.14 0.00 0.00 176.83 175.63 2dmf h GLU 16 N -0.63 0.02 -0.66 3.45 4.57 -1.04 -2.67 114.58 117.61 2dmf h GLU 16 Ca -0.04 -0.00 0.12 0.00 -1.18 0.00 0.00 59.36 58.26 2dmf h GLU 16 Cb 0.45 -0.00 -0.12 0.00 -0.16 0.00 0.00 28.75 28.91 2dmf h GLU 16 CO 0.06 0.01 -0.30 0.28 -1.18 0.00 0.00 179.01 177.88 2dmf h VAL 17 N 0.02 0.18 -0.92 0.32 2.07 -1.51 0.21 116.25 116.61 2dmf h VAL 17 Ca 0.10 0.00 0.37 0.00 0.82 0.00 0.00 66.70 67.99 2dmf h VAL 17 Cb 0.15 0.18 -0.14 0.00 -1.52 0.00 0.00 31.29 29.95 2dmf h VAL 17 CO -0.21 0.00 0.53 -0.62 0.02 0.00 0.00 177.57 177.29 2dmf n GLU 18 N -5.45 -0.05 0.11 1.57 1.02 -1.01 0.17 120.64 117.00 2dmf n GLU 18 Ca 0.06 1.13 -0.23 0.00 -0.02 0.00 0.00 57.16 58.10 2dmf n GLU 18 Cb 0.36 -2.08 -0.15 0.00 -0.02 0.00 0.00 31.44 29.55 2dmf n GLU 18 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 2dmf h VAL 19 N 0.00 1.28 -0.40 2.62 2.07 -0.71 -3.21 116.25 117.89 2dmf h VAL 19 Ca 0.72 -2.62 0.12 0.00 0.82 0.00 0.00 66.70 65.74 2dmf h VAL 19 Cb 2.02 3.03 -0.02 0.00 -1.52 0.00 0.00 31.29 34.81 2dmf h VAL 19 CO -0.58 0.79 0.30 -0.07 0.02 0.00 0.00 177.57 178.03 2dmf h LEU 20 N -0.02 0.00 -0.03 2.57 3.38 0.22 -0.21 115.31 121.23 2dmf h LEU 20 Ca -0.24 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.47 2dmf h LEU 20 Cb 2.01 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.77 2dmf h LEU 20 CO 0.22 0.00 -1.08 -0.33 0.09 0.00 0.00 178.44 177.34 2dmf h GLU 21 N 0.00 0.50 0.00 1.13 5.08 -1.11 0.53 114.58 120.71 2dmf h GLU 21 Ca 0.19 -0.61 -0.08 0.00 -1.00 0.00 0.00 59.36 57.87 2dmf h GLU 21 Cb 0.79 0.19 -0.01 0.00 0.50 0.00 0.00 28.75 30.22 2dmf h GLU 21 CO -0.00 1.23 -0.38 0.77 -1.00 0.00 0.00 179.01 179.64 2dmf h SER 22 N 0.25 0.00 0.06 1.42 0.02 -1.08 0.52 113.55 114.74 2dmf h SER 22 Ca -0.12 0.00 -0.38 0.00 -0.84 0.00 0.00 61.79 60.45 2dmf h SER 22 Cb 1.74 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 64.23 2dmf h SER 22 CO 0.20 0.38 -2.26 -0.38 -1.14 0.00 0.00 176.83 173.62 2dmf n ILE 23 N -4.05 1.63 -2.13 3.27 5.41 -0.64 -4.49 119.36 118.35 2dmf n ILE 23 Ca -0.02 -0.61 -0.28 0.00 1.00 0.00 0.00 62.75 62.84 2dmf n ILE 23 Cb 0.41 -1.56 0.02 0.00 -0.71 0.00 0.00 39.64 37.80 2dmf n ILE 23 CO 0.00 0.00 0.00 -1.22 0.00 0.00 0.00 176.55 175.33 2dmf n TYR 24 N -3.36 3.10 -0.35 1.39 4.01 0.19 -4.85 117.16 117.29 2dmf n TYR 24 Ca -0.39 -2.69 0.12 0.00 -0.16 0.00 0.00 57.90 54.77 2dmf n TYR 24 Cb 1.02 -0.44 0.24 0.00 -0.31 0.00 0.00 39.34 39.84 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 2.42 -0.63 0.00 7.72 -0.00 -0.08 -2.17 115.31 122.57 2dmf h LEU 25 Ca 0.39 0.29 -0.12 0.00 -0.00 0.00 0.00 57.88 58.44 2dmf h LEU 25 Cb 1.04 0.53 -0.02 0.00 -0.00 0.00 0.00 40.66 42.21 2dmf h LEU 25 CO 0.96 -0.35 -1.44 -0.67 -0.00 0.00 0.00 178.44 176.95 2dmf n ASP 26 N -5.53 2.97 -0.15 0.17 2.03 -1.26 -4.59 116.55 110.18 2dmf n ASP 26 Ca 0.21 -0.02 0.27 0.00 0.52 0.00 0.00 54.79 55.77 2dmf n ASP 26 Cb 0.67 -0.14 0.54 0.00 -0.72 0.00 0.00 41.12 41.47 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 -0.05 0.00 -4.49 -0.67 5.08 -1.88 -3.39 114.58 109.18 2dmf h GLU 27 Ca -0.18 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 57.94 2dmf h GLU 27 Cb 1.25 0.00 -0.20 0.00 0.50 0.00 0.00 28.75 30.30 2dmf h GLU 27 CO -0.04 0.00 -0.72 -1.17 -1.00 0.00 0.00 179.01 176.08 2dmf s LEU 28 N -6.80 2.31 0.13 1.33 0.20 -0.82 -3.81 118.68 111.22 2dmf s LEU 28 Ca -0.03 -0.64 0.11 0.00 0.69 0.00 0.00 54.13 54.25 2dmf s LEU 28 Cb 0.15 -0.10 -0.04 0.00 -0.43 0.00 0.00 46.19 45.77 2dmf s LEU 28 CO 0.51 -0.28 -0.25 -1.10 -0.29 0.00 0.00 176.35 174.94 2dmf s GLN 29 N -2.06 1.48 0.01 1.98 1.11 0.17 -4.68 119.66 117.67 2dmf s GLN 29 Ca -0.06 -1.33 0.02 0.00 0.01 0.00 0.00 55.36 54.00 2dmf s GLN 29 Cb -0.07 -1.94 -0.01 0.00 -1.01 0.00 0.00 33.01 29.99 2dmf s GLN 29 CO -0.01 0.45 -0.07 0.08 0.01 0.00 0.00 175.29 175.75 2dmf s VAL 30 N -1.10 0.56 0.02 1.09 1.01 -1.26 -1.59 120.40 119.12 2dmf s VAL 30 Ca 0.15 -0.48 0.06 0.00 0.00 0.00 0.00 61.98 61.70 2dmf s VAL 30 Cb -0.10 -0.51 -0.02 0.00 0.00 0.00 0.00 36.38 35.75 2dmf s VAL 30 CO 0.07 0.03 -0.17 -0.63 0.00 0.00 0.00 175.10 174.40 2dmf s ILE 31 N -0.44 1.37 -0.17 2.22 -1.09 0.13 -5.00 121.20 118.22 2dmf s ILE 31 Ca 0.00 -0.94 -0.01 0.00 -2.23 0.00 0.00 60.65 57.47 2dmf s ILE 31 Cb -0.04 -1.18 -0.00 0.00 -1.58 0.00 0.00 42.46 39.65 2dmf s ILE 31 CO -0.00 0.22 -0.13 -0.54 -1.23 0.00 0.00 174.94 173.27 2dmf s LYS 32 N -0.83 3.25 -0.08 2.79 1.02 -1.26 -3.15 119.74 121.47 2dmf s LYS 32 Ca 0.06 -0.72 -0.06 0.00 0.02 0.00 0.00 55.97 55.27 2dmf s LYS 32 Cb -0.08 -2.71 0.02 0.00 -0.52 0.00 0.00 37.83 34.54 2dmf s LYS 32 CO 0.01 -0.04 0.12 0.41 -0.92 0.00 0.00 175.35 174.92 2dmf n GLY 33 N 4.24 -3.55 0.00 -3.33 0.00 -1.11 -5.00 105.19 96.44 2dmf n GLY 33 Ca -0.19 0.87 0.00 0.00 0.00 0.00 0.00 46.02 46.70 2dmf n GLY 33 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2dmf n ASN 34 N 1.99 1.97 0.00 1.61 6.94 -1.26 -4.95 115.26 121.56 2dmf n ASN 34 Ca -0.20 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.36 2dmf n ASN 34 Cb 0.31 0.25 0.00 0.00 -2.36 0.00 0.00 39.78 37.97 2dmf n ASN 34 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2dmf n GLY 35 N 1.36 6.75 0.09 4.83 0.00 -1.26 -4.97 105.19 111.98 2dmf n GLY 35 Ca 0.00 -1.95 -0.13 0.00 0.00 0.00 0.00 46.02 43.94 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 -0.11 -0.41 1.61 2.47 -2.00 -2.80 114.38 113.15 2dmf h ARG 36 Ca 0.00 0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.73 2dmf h ARG 36 Cb 0.00 0.02 0.00 0.00 -1.65 0.00 0.00 29.97 28.34 2dmf h ARG 36 CO 0.00 0.24 0.00 0.25 0.56 0.00 0.00 179.97 181.02 2dmf n THR 37 N -4.97 0.00 -4.01 2.04 -2.24 -1.26 -4.87 114.28 98.96 2dmf n THR 37 Ca -0.08 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.41 2dmf n THR 37 Cb 0.21 -0.21 -0.06 0.00 -2.10 0.00 0.00 70.33 68.17 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 -0.28 -0.14 -4.47 3.42 7.64 -1.06 -4.59 113.62 114.14 2dmf n SER 38 Ca 0.00 -1.07 -0.29 0.00 1.01 0.00 0.00 58.87 58.53 2dmf n SER 38 Cb 0.10 -1.31 0.20 0.00 -1.01 0.00 0.00 64.21 62.19 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 -6.73 -0.07 -0.33 1.43 0.04 -1.26 -3.82 135.00 124.26 2dmf s PRO 39 Ca 0.09 0.35 -0.03 0.00 0.04 0.00 0.00 61.00 61.45 2dmf s PRO 39 Cb -0.05 -1.69 0.05 0.00 0.04 0.00 0.00 34.50 32.85 2dmf s PRO 39 CO 0.82 -3.03 0.06 -1.58 0.04 0.00 0.00 177.00 173.32 2dmf s TRP 40 N -2.97 3.30 -0.09 0.56 0.52 0.08 -2.75 118.94 117.59 2dmf s TRP 40 Ca 0.67 -1.79 -0.13 0.00 0.02 0.00 0.00 56.10 54.87 2dmf s TRP 40 Cb -0.17 -2.31 -0.05 0.00 -1.15 0.00 0.00 33.47 29.79 2dmf s TRP 40 CO 0.57 -0.80 0.31 -2.00 0.02 0.00 0.00 176.95 175.05 2dmf s GLU 41 N 1.29 3.96 -0.05 4.98 2.56 -1.19 -0.62 118.70 129.63 2dmf s GLU 41 Ca -0.02 0.17 0.01 0.00 0.00 0.00 0.00 54.97 55.13 2dmf s GLU 41 Cb -0.20 -3.30 0.02 0.00 2.00 0.00 0.00 34.13 32.65 2dmf s GLU 41 CO -0.00 0.51 -0.06 0.42 -0.56 0.00 0.00 175.26 175.58 2dmf s ILE 42 N -0.40 0.65 0.22 -3.70 1.01 0.49 -0.69 121.20 118.78 2dmf s ILE 42 Ca 0.19 -0.17 0.10 0.00 0.00 0.00 0.00 60.65 60.77 2dmf s ILE 42 Cb -0.14 -0.67 -0.04 0.00 0.01 0.00 0.00 42.46 41.62 2dmf s ILE 42 CO 0.07 0.26 -0.08 -0.31 0.00 0.00 0.00 174.94 174.88 2dmf s TYR 43 N 1.01 2.61 -0.25 3.97 1.51 -0.62 -0.38 117.35 125.19 2dmf s TYR 43 Ca -0.09 -0.24 -0.26 0.00 -1.01 0.00 0.00 57.07 55.47 2dmf s TYR 43 Cb -0.14 -1.22 0.10 0.00 -0.11 0.00 0.00 41.96 40.58 2dmf s TYR 43 CO -0.00 0.57 0.87 -1.50 -1.11 0.00 0.00 175.55 174.38 2dmf s ILE 44 N -1.99 0.00 -0.36 2.71 2.07 -1.09 -0.66 121.20 121.89 2dmf s ILE 44 Ca 0.27 0.00 -0.16 0.00 -1.41 0.00 0.00 60.65 59.36 2dmf s ILE 44 Cb -0.08 -1.00 -0.00 0.00 0.13 0.00 0.00 42.46 41.51 2dmf s ILE 44 CO 0.16 0.00 0.38 -0.89 -1.91 0.00 0.00 174.94 172.68 2dmf s THR 45 N 0.10 5.15 0.02 4.00 2.01 -1.25 -1.26 115.64 124.42 2dmf s THR 45 Ca 0.01 -0.03 -0.24 0.00 0.31 0.00 0.00 61.69 61.73 2dmf s THR 45 Cb -0.04 -3.87 -0.05 0.00 0.01 0.00 0.00 72.50 68.54 2dmf s THR 45 CO -0.02 -0.16 0.74 -0.22 -0.69 0.00 0.00 174.62 174.27 2dmf s LEU 46 N 2.05 4.43 0.03 4.42 1.98 -1.22 -4.99 118.68 125.36 2dmf s LEU 46 Ca 0.12 1.38 0.02 0.00 -2.89 0.00 0.00 54.13 52.76 2dmf s LEU 46 Cb -0.17 -3.18 -0.02 0.00 0.66 0.00 0.00 46.19 43.48 2dmf s LEU 46 CO 0.12 0.00 -0.06 -1.38 -1.89 0.00 0.00 176.35 173.14 2dmf s HIS 47 N 0.07 0.55 0.86 5.38 -3.43 -1.26 -3.75 115.29 113.70 2dmf s HIS 47 Ca 0.38 -0.38 -0.11 0.00 -0.80 0.00 0.00 55.06 54.14 2dmf s HIS 47 Cb -0.20 -0.34 0.11 0.00 -1.43 0.00 0.00 32.58 30.72 2dmf s HIS 47 CO 0.22 -0.07 1.09 -1.25 -2.00 0.00 0.00 174.74 172.73 2dmf s PRO 48 N -1.15 1.58 -0.35 -0.38 0.04 -1.26 -4.96 135.00 128.52 2dmf s PRO 48 Ca -0.07 0.94 -0.12 0.00 0.04 0.00 0.00 61.00 61.78 2dmf s PRO 48 Cb -0.08 -1.84 0.00 0.00 0.04 0.00 0.00 34.50 32.63 2dmf s PRO 48 CO 0.00 -2.05 0.21 0.00 0.04 0.00 0.00 177.00 175.21 2dmf s ALA 49 N -2.92 3.38 0.21 8.56 0.00 -1.26 -5.05 121.76 124.68 2dmf s ALA 49 Ca 0.63 -1.50 0.01 0.00 0.00 0.00 0.00 51.96 51.09 2dmf s ALA 49 Cb -0.18 -2.59 -0.00 0.00 0.00 0.00 0.00 23.12 20.35 2dmf s ALA 49 CO 0.57 -1.11 0.26 0.25 0.00 0.00 0.00 175.76 175.73 2dmf n THR 50 N 5.05 0.00 0.09 0.00 -2.24 -1.26 -5.09 114.28 110.83 2dmf n THR 50 Ca -0.13 -1.22 0.00 0.00 -2.27 0.00 0.00 64.05 60.43 2dmf n THR 50 Cb 0.48 0.69 0.00 0.00 -2.10 0.00 0.00 70.33 69.41 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 -1.60 3.00 -0.92 6.98 0.00 -1.26 -4.85 120.51 121.87 2dmf n ALA 51 Ca -0.08 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.17 2dmf n ALA 51 Cb 0.36 0.10 0.17 0.00 0.00 0.00 0.00 19.45 20.09 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 -3.38 2.25 -2.54 0.00 1.02 -1.26 -4.35 120.64 112.38 2dmf n GLU 52 Ca 0.00 -2.63 -0.16 0.00 -0.02 0.00 0.00 57.16 54.35 2dmf n GLU 52 Cb 0.00 -2.04 0.02 0.00 -0.02 0.00 0.00 31.44 29.40 2dmf n GLU 52 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2dmf n ASP 53 N -0.83 3.02 -4.52 1.62 8.00 -1.26 -5.03 116.55 117.54 2dmf n ASP 53 Ca 0.50 -3.08 -0.42 0.00 0.71 0.00 0.00 54.79 52.50 2dmf n ASP 53 Cb 1.50 -0.47 -0.03 0.00 -0.02 0.00 0.00 41.12 42.09 2dmf n ASP 53 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 2dmf s GLN 54 N -3.43 3.34 0.50 -1.24 -0.21 -1.26 -4.95 119.66 112.41 2dmf s GLN 54 Ca 0.37 -0.80 0.07 0.00 0.02 0.00 0.00 55.36 55.02 2dmf s GLN 54 Cb 0.41 -4.62 0.07 0.00 1.00 0.00 0.00 33.01 29.87 2dmf s GLN 54 CO -0.05 -2.05 0.57 -0.40 -2.12 0.00 0.00 175.29 171.23 2dmf n ASP 55 N 8.55 2.15 -1.95 5.90 5.68 -1.26 -4.97 116.55 130.66 2dmf n ASP 55 Ca 0.13 -2.49 -0.08 0.00 -0.50 0.00 0.00 54.79 51.84 2dmf n ASP 55 Cb 0.49 -0.24 -0.12 0.00 -1.14 0.00 0.00 41.12 40.11 2dmf n ASP 55 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 2dmf n SER 56 N -2.18 4.66 -4.06 -1.12 7.64 -1.26 -4.63 113.62 112.67 2dmf n SER 56 Ca 0.08 -2.34 -0.32 0.00 1.01 0.00 0.00 58.87 57.29 2dmf n SER 56 Cb 0.54 -1.20 -0.00 0.00 -1.01 0.00 0.00 64.21 62.54 2dmf n SER 56 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2dmf n GLN 57 N 2.34 -4.20 0.12 1.43 1.13 -1.26 -4.87 117.38 112.07 2dmf n GLN 57 Ca 0.30 0.47 -0.14 0.00 -1.94 0.00 0.00 57.00 55.69 2dmf n GLN 57 Cb 0.73 -5.21 -0.09 0.00 0.11 0.00 0.00 30.24 25.79 2dmf n GLN 57 CO 0.00 0.00 0.00 -0.92 -1.44 0.00 0.00 177.06 174.70 2dmf h TYR 58 N -1.78 -1.31 -3.36 1.08 3.20 -1.98 -3.36 116.97 109.46 2dmf h TYR 58 Ca -0.59 0.03 -0.64 0.00 3.14 0.00 0.00 58.73 60.67 2dmf h TYR 58 Cb 1.38 0.55 -0.14 0.00 1.54 0.00 0.00 36.73 40.06 2dmf h TYR 58 CO 0.59 -0.52 0.33 0.54 -1.64 0.00 0.00 178.16 177.46 2dmf s VAL 59 N -5.37 4.63 -0.28 1.81 0.11 -1.26 -4.46 120.40 115.58 2dmf s VAL 59 Ca -0.14 0.10 -0.16 0.00 -2.93 0.00 0.00 61.98 58.85 2dmf s VAL 59 Cb 0.05 -4.39 0.11 0.00 -1.53 0.00 0.00 36.38 30.62 2dmf s VAL 59 CO 0.52 -0.88 0.82 0.00 -3.33 0.00 0.00 175.10 172.23 2dmf s PHE 61 N 1.54 2.97 -0.79 0.00 -0.71 -1.25 -3.53 117.98 116.21 2dmf s PHE 61 Ca -0.09 -1.88 -0.25 0.00 -1.04 0.00 0.00 56.93 53.66 2dmf s PHE 61 Cb -0.05 -1.93 -0.05 0.00 -1.21 0.00 0.00 43.02 39.78 2dmf s PHE 61 CO -0.18 -0.83 2.00 0.99 -1.34 0.00 0.00 175.22 175.86 2dmf s THR 62 N 1.23 3.35 -0.03 -4.49 2.01 -0.90 -3.43 115.64 113.38 2dmf s THR 62 Ca -0.00 -0.15 -0.30 0.00 0.31 0.00 0.00 61.69 61.55 2dmf s THR 62 Cb -0.16 -3.82 -0.06 0.00 0.01 0.00 0.00 72.50 68.47 2dmf s THR 62 CO -0.10 -0.78 1.67 -0.22 -0.69 0.00 0.00 174.62 174.50 2dmf s LEU 63 N 10.44 4.34 -0.15 4.42 1.98 -0.39 -2.01 118.68 137.31 2dmf s LEU 63 Ca 0.73 2.30 -0.11 0.00 -2.89 0.00 0.00 54.13 54.16 2dmf s LEU 63 Cb -0.10 -3.54 -0.05 0.00 0.66 0.00 0.00 46.19 43.17 2dmf s LEU 63 CO 0.08 -0.92 0.21 -0.69 -1.89 0.00 0.00 176.35 173.13 2dmf s VAL 64 N 3.86 5.37 -0.29 1.68 1.01 -0.09 -2.67 120.40 129.28 2dmf s VAL 64 Ca 0.74 0.37 0.02 0.00 0.00 0.00 0.00 61.98 63.11 2dmf s VAL 64 Cb -0.35 -3.52 0.08 0.00 0.00 0.00 0.00 36.38 32.59 2dmf s VAL 64 CO 0.31 0.49 0.01 -0.76 0.00 0.00 0.00 175.10 175.14 2dmf s LEU 65 N -0.12 3.29 -0.49 3.92 1.43 0.49 -2.61 118.68 124.60 2dmf s LEU 65 Ca 0.14 -1.62 -0.16 0.00 -1.03 0.00 0.00 54.13 51.45 2dmf s LEU 65 Cb -0.12 -1.29 0.08 0.00 0.03 0.00 0.00 46.19 44.89 2dmf s LEU 65 CO 0.03 -0.32 0.46 -1.58 0.23 0.00 0.00 176.35 175.17 2dmf s GLN 66 N 1.26 3.01 -0.49 1.70 0.74 -1.12 -0.38 119.66 124.38 2dmf s GLN 66 Ca 0.03 -1.30 -0.21 0.00 0.05 0.00 0.00 55.36 53.94 2dmf s GLN 66 Cb -0.19 -4.15 0.04 0.00 1.10 0.00 0.00 33.01 29.82 2dmf s GLN 66 CO -0.11 -1.11 0.69 0.08 -0.55 0.00 0.00 175.29 174.29 2dmf s VAL 67 N 1.86 4.77 0.97 1.34 1.01 0.20 -1.56 120.40 128.99 2dmf s VAL 67 Ca 0.06 -0.15 -0.16 0.00 0.00 0.00 0.00 61.98 61.73 2dmf s VAL 67 Cb -0.24 -4.31 0.24 0.00 0.00 0.00 0.00 36.38 32.07 2dmf s VAL 67 CO 0.07 -0.79 0.86 -0.81 0.00 0.00 0.00 175.10 174.43 2dmf n PRO 68 N 6.43 -2.70 0.23 2.72 -0.04 -1.26 -0.74 135.00 139.65 2dmf n PRO 68 Ca -0.03 -1.37 0.13 0.00 -0.04 0.00 0.00 63.50 62.18 2dmf n PRO 68 Cb 0.47 -1.29 0.34 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 -2.59 0.98 -0.02 0.55 0.00 -1.92 -3.22 119.26 113.04 2dmf h ALA 69 Ca -0.32 -0.03 -0.24 0.00 0.00 0.00 0.00 54.91 54.31 2dmf h ALA 69 Cb 0.99 -0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.79 2dmf h ALA 69 CO 0.21 0.05 -0.91 0.93 0.00 0.00 0.00 179.25 179.53 2dmf h GLU 70 N 0.00 0.66 -3.88 0.00 4.39 -1.92 -3.47 114.58 110.36 2dmf h GLU 70 Ca -0.00 -0.68 -0.43 0.00 0.34 0.00 0.00 59.36 58.59 2dmf h GLU 70 Cb 0.85 0.19 0.08 0.00 -0.10 0.00 0.00 28.75 29.76 2dmf h GLU 70 CO 0.00 1.27 -0.39 0.98 -1.16 0.00 0.00 179.01 179.71 2dmf n TYR 71 N -3.94 -0.51 0.17 4.33 4.19 -1.22 -2.04 117.16 118.14 2dmf n TYR 71 Ca -0.10 0.59 0.01 0.00 3.31 0.00 0.00 57.90 61.71 2dmf n TYR 71 Cb 0.82 -1.25 0.29 0.00 0.49 0.00 0.00 39.34 39.69 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 0.57 0.00 -0.49 2.98 0.13 -1.87 -3.44 132.00 129.87 2dmf h PRO 72 Ca -0.19 0.00 0.20 0.00 -0.87 0.00 0.00 66.00 65.14 2dmf h PRO 72 Cb 0.93 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 31.97 2dmf h PRO 72 CO 0.36 0.46 0.24 0.72 -0.23 0.00 0.00 178.00 179.55 2dmf n HIS 73 N -3.92 0.55 -3.94 1.56 8.25 -0.86 -3.50 115.22 113.36 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 0.49 -1.02 -0.14 0.00 1.12 0.00 0.00 29.99 30.45 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 -4.80 3.46 0.47 -0.41 2.56 -1.23 -4.74 118.70 114.01 2dmf s GLU 74 Ca -0.05 -0.59 -0.24 0.00 0.00 0.00 0.00 54.97 54.09 2dmf s GLU 74 Cb 0.17 -3.06 -0.07 0.00 2.00 0.00 0.00 34.13 33.16 2dmf s GLU 74 CO 0.38 -0.15 1.37 0.14 -0.56 0.00 0.00 175.26 176.45 2dmf s VAL 75 N 1.38 2.24 0.21 3.70 -7.23 -1.23 -3.49 120.40 115.98 2dmf s VAL 75 Ca 0.05 0.21 -0.30 0.00 -1.81 0.00 0.00 61.98 60.12 2dmf s VAL 75 Cb -0.14 -3.12 -0.09 0.00 0.56 0.00 0.00 36.38 33.59 2dmf s VAL 75 CO -0.01 0.02 1.30 -2.16 -0.31 0.00 0.00 175.10 173.94 2dmf s PRO 76 N -2.54 4.40 -0.50 4.82 0.04 -1.26 -4.81 135.00 135.15 2dmf s PRO 76 Ca 0.63 2.05 -0.27 0.00 0.04 0.00 0.00 61.00 63.44 2dmf s PRO 76 Cb -0.41 -3.19 -0.02 0.00 0.04 0.00 0.00 34.50 30.92 2dmf s PRO 76 CO 0.51 -0.23 1.85 -0.65 0.04 0.00 0.00 177.00 178.53 2dmf s GLN 77 N -0.26 2.87 -0.25 4.56 1.11 -0.60 -4.73 119.66 122.36 2dmf s GLN 77 Ca 0.56 0.94 -0.24 0.00 0.01 0.00 0.00 55.36 56.62 2dmf s GLN 77 Cb -0.36 -4.32 -0.01 0.00 -1.01 0.00 0.00 33.01 27.31 2dmf s GLN 77 CO 0.39 -2.42 0.81 0.42 0.01 0.00 0.00 175.29 174.49 2dmf s ILE 78 N 8.37 4.85 0.00 1.08 1.01 -1.26 -2.80 121.20 132.45 2dmf s ILE 78 Ca 0.73 1.50 0.01 0.00 0.00 0.00 0.00 60.65 62.89 2dmf s ILE 78 Cb -0.16 -4.10 -0.00 0.00 0.01 0.00 0.00 42.46 38.21 2dmf s ILE 78 CO 0.26 -0.07 -0.03 -0.44 0.00 0.00 0.00 174.94 174.66 2dmf s SER 79 N 1.37 0.28 0.07 3.58 0.01 -1.07 -4.99 113.70 112.95 2dmf s SER 79 Ca 0.34 -0.10 -0.22 0.00 1.31 0.00 0.00 55.95 57.27 2dmf s SER 79 Cb -0.15 -0.01 -0.06 0.00 0.21 0.00 0.00 66.02 66.00 2dmf s SER 79 CO 0.08 -0.01 0.67 -0.63 0.41 0.00 0.00 173.24 173.76 2dmf s ILE 80 N -0.23 4.68 -0.01 1.44 -1.09 -1.26 -0.91 121.20 123.82 2dmf s ILE 80 Ca -0.01 1.44 0.06 0.00 -2.23 0.00 0.00 60.65 59.91 2dmf s ILE 80 Cb -0.02 -4.02 -0.02 0.00 -1.58 0.00 0.00 42.46 36.83 2dmf s ILE 80 CO -0.00 0.47 -0.19 -0.60 -1.23 0.00 0.00 174.94 173.39 2dmf s ARG 81 N -0.67 1.50 -1.32 2.79 6.06 -0.85 -4.80 118.95 121.66 2dmf s ARG 81 Ca 0.33 -0.69 -0.09 0.00 -2.50 0.00 0.00 55.73 52.78 2dmf s ARG 81 Cb -0.20 -1.46 0.00 0.00 0.06 0.00 0.00 34.95 33.35 2dmf s ARG 81 CO 0.21 0.40 0.53 0.09 -2.50 0.00 0.00 175.30 174.04 2dmf n ASN 82 N 2.54 -2.04 -4.59 -2.12 3.02 -1.26 -2.12 115.26 108.69 2dmf n ASN 82 Ca -0.15 -1.05 -0.42 0.00 -0.03 0.00 0.00 54.58 52.93 2dmf n ASN 82 Cb 0.54 -2.98 -0.03 0.00 -0.61 0.00 0.00 39.78 36.70 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 -6.49 3.26 -0.08 3.52 0.04 -1.26 -4.52 135.00 129.47 2dmf s PRO 83 Ca 0.18 1.18 0.01 0.00 0.04 0.00 0.00 61.00 62.41 2dmf s PRO 83 Cb -0.07 -4.19 -0.03 0.00 0.04 0.00 0.00 34.50 30.25 2dmf s PRO 83 CO 0.89 -1.95 -0.08 0.50 0.04 0.00 0.00 177.00 176.40 2dmf s ARG 84 N 5.74 2.88 0.00 4.56 3.52 -1.23 -4.62 118.95 129.80 2dmf s ARG 84 Ca 0.74 -0.58 0.00 0.00 -0.13 0.00 0.00 55.73 55.76 2dmf s ARG 84 Cb -0.19 -2.60 0.00 0.00 -1.56 0.00 0.00 34.95 30.60 2dmf s ARG 84 CO 0.31 0.56 0.00 0.41 -0.81 0.00 0.00 175.30 175.78 2dmf n GLY 85 N 2.52 1.53 3.82 8.12 0.00 -1.26 -3.66 105.19 116.25 2dmf n GLY 85 Ca -0.18 -0.18 -0.33 0.00 0.00 0.00 0.00 46.02 45.34 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 3.95 0.44 0.99 1.43 -1.26 -2.04 118.68 122.18 2dmf s LEU 86 Ca 0.00 1.70 0.07 0.00 -1.03 0.00 0.00 54.13 54.87 2dmf s LEU 86 Cb 0.00 -4.53 -0.01 0.00 0.03 0.00 0.00 46.19 41.68 2dmf s LEU 86 CO 0.00 -0.36 0.37 -0.55 0.23 0.00 0.00 176.35 176.04 2dmf s SER 87 N -2.17 4.93 0.28 2.29 0.15 -1.26 -4.89 113.70 113.03 2dmf s SER 87 Ca 0.62 -0.85 0.02 0.00 0.70 0.00 0.00 55.95 56.44 2dmf s SER 87 Cb -0.09 -0.41 0.68 0.00 -1.71 0.00 0.00 66.02 64.48 2dmf s SER 87 CO 0.13 -0.72 1.70 -0.78 1.20 0.00 0.00 173.24 174.78 2dmf h ASP 88 N 1.01 0.32 0.65 5.45 1.82 -1.98 0.16 116.42 123.85 2dmf h ASP 88 Ca -0.41 0.15 -0.03 0.00 -0.39 0.00 0.00 57.03 56.35 2dmf h ASP 88 Cb 1.27 0.13 0.01 0.00 0.68 0.00 0.00 39.33 41.41 2dmf h ASP 88 CO 0.58 0.02 -0.31 -0.33 -1.61 0.00 0.00 179.24 177.59 2dmf h GLU 89 N 0.41 -0.84 -0.54 0.28 5.08 -1.99 -1.01 114.58 115.96 2dmf h GLU 89 Ca 0.53 0.06 0.11 0.00 -1.00 0.00 0.00 59.36 59.06 2dmf h GLU 89 Cb 0.97 0.19 -0.10 0.00 0.50 0.00 0.00 28.75 30.31 2dmf h GLU 89 CO -0.51 -0.56 -0.16 1.96 -1.00 0.00 0.00 179.01 178.74 2dmf h GLN 90 N -1.06 -0.03 0.17 2.33 4.20 -1.82 -1.88 115.11 117.02 2dmf h GLN 90 Ca -0.09 0.00 0.01 0.00 0.06 0.00 0.00 58.65 58.63 2dmf h GLN 90 Cb 0.67 0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.43 2dmf h GLN 90 CO 0.15 -0.02 -0.26 0.82 -0.67 0.00 0.00 178.83 178.85 2dmf h ILE 91 N -0.03 0.43 -0.95 2.54 2.04 -0.72 -2.29 117.51 118.54 2dmf h ILE 91 Ca 0.26 0.00 0.26 0.00 1.00 0.00 0.00 64.86 66.37 2dmf h ILE 91 Cb 0.42 0.43 -0.18 0.00 -0.74 0.00 0.00 36.82 36.76 2dmf h ILE 91 CO -0.57 0.00 0.00 1.57 0.00 0.00 0.00 178.15 179.15 2dmf n HIS 92 N -5.38 0.58 -0.01 1.37 -0.00 -0.39 0.34 115.22 111.74 2dmf n HIS 92 Ca -0.07 1.14 -0.12 0.00 0.46 0.00 0.00 57.72 59.13 2dmf n HIS 92 Cb 0.29 -1.20 -0.08 0.00 -0.12 0.00 0.00 29.99 28.88 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 1.23 -1.02 3.57 2.02 -1.18 -1.70 112.91 115.83 2dmf h THR 93 Ca 0.57 -0.70 0.25 0.00 0.77 0.00 0.00 66.41 67.29 2dmf h THR 93 Cb 1.15 1.61 -0.11 0.00 -1.74 0.00 0.00 68.15 69.06 2dmf h THR 93 CO -0.90 0.19 0.63 0.40 0.37 0.00 0.00 175.52 176.21 2dmf h ILE 94 N -0.19 0.56 0.26 3.11 2.04 0.42 -1.47 117.51 122.23 2dmf h ILE 94 Ca 0.01 -0.18 -0.01 0.00 1.00 0.00 0.00 64.86 65.68 2dmf h ILE 94 Cb 0.30 -0.02 0.00 0.00 -0.74 0.00 0.00 36.82 36.37 2dmf h ILE 94 CO 0.00 0.10 -0.12 -0.07 0.00 0.00 0.00 178.15 178.06 2dmf h LEU 95 N 0.53 -0.29 -0.91 1.44 3.38 -1.07 -2.81 115.31 115.58 2dmf h LEU 95 Ca 0.61 0.01 0.19 0.00 0.09 0.00 0.00 57.88 58.79 2dmf h LEU 95 Cb 1.29 0.08 -0.17 0.00 0.09 0.00 0.00 40.66 41.94 2dmf h LEU 95 CO -0.38 0.09 -0.19 0.00 0.09 0.00 0.00 178.44 178.06 2dmf n GLN 96 N -4.59 -0.08 0.01 1.13 1.13 -0.66 -1.09 117.38 113.23 2dmf n GLN 96 Ca -0.04 1.41 -0.00 0.00 -1.94 0.00 0.00 57.00 56.43 2dmf n GLN 96 Cb 0.14 -2.13 -0.00 0.00 0.11 0.00 0.00 30.24 28.35 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 -0.76 5.09 2.07 -1.39 -2.08 116.25 119.19 2dmf h VAL 97 Ca 0.46 -0.00 0.23 0.00 0.82 0.00 0.00 66.70 68.20 2dmf h VAL 97 Cb 0.75 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 30.38 2dmf h VAL 97 CO -0.93 0.00 0.08 0.18 0.02 0.00 0.00 177.57 176.92 2dmf n LEU 98 N -2.09 -0.03 -0.17 2.57 4.77 -0.68 0.19 117.00 121.56 2dmf n LEU 98 Ca -0.00 1.29 -0.08 0.00 -0.03 0.00 0.00 56.01 57.18 2dmf n LEU 98 Cb 0.01 -0.49 0.01 0.00 -2.33 0.00 0.00 43.42 40.62 2dmf n LEU 98 CO 0.01 -1.33 0.96 1.23 -1.33 0.00 0.00 177.39 176.93 2dmf h GLY 99 N 0.00 0.78 0.09 -0.72 0.00 -1.04 -2.77 103.07 99.41 2dmf h GLY 99 Ca 0.49 -0.42 0.19 0.00 0.00 0.00 0.00 47.33 47.59 2dmf h GLY 99 CO -0.69 0.40 0.54 0.84 0.00 0.00 0.00 176.54 177.62 2dmf h HIS 100 N 0.65 0.94 -0.71 5.60 -0.00 0.28 0.75 115.15 122.66 2dmf h HIS 100 Ca 0.17 0.04 -0.06 0.00 -0.00 0.00 0.00 60.37 60.51 2dmf h HIS 100 Cb 0.18 -0.27 -0.03 0.00 -0.00 0.00 0.00 27.41 27.29 2dmf h HIS 100 CO 0.00 0.17 0.20 0.28 -0.00 0.00 0.00 177.93 178.58 2dmf h VAL 101 N 0.67 1.26 -0.03 5.26 2.07 -1.20 -2.59 116.25 121.69 2dmf h VAL 101 Ca 0.55 -0.94 -0.00 0.00 0.82 0.00 0.00 66.70 67.13 2dmf h VAL 101 Cb 0.88 0.51 -0.00 0.00 -1.52 0.00 0.00 31.29 31.16 2dmf h VAL 101 CO -0.40 0.36 0.01 0.00 0.02 0.00 0.00 177.57 177.56 2dmf h ALA 102 N 1.10 0.04 -0.92 1.67 0.00 -0.76 0.14 119.26 120.52 2dmf h ALA 102 Ca 0.23 -0.10 0.13 0.00 0.00 0.00 0.00 54.91 55.17 2dmf h ALA 102 Cb 0.34 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.05 2dmf h ALA 102 CO -0.00 -0.36 0.59 0.87 0.00 0.00 0.00 179.25 180.35 2dmf h LYS 103 N -0.14 0.77 0.00 0.00 6.56 -1.13 0.28 116.57 122.91 2dmf h LYS 103 Ca 0.01 -0.05 0.00 0.00 -1.06 0.00 0.00 60.65 59.55 2dmf h LYS 103 Cb 0.19 -0.17 0.00 0.00 -0.57 0.00 0.00 32.23 31.68 2dmf h LYS 103 CO -0.00 0.51 -0.21 0.00 -2.06 0.00 0.00 179.45 177.68 2dmf n ALA 104 N -2.41 2.62 -1.34 3.86 0.00 -0.98 -3.60 120.51 118.65 2dmf n ALA 104 Ca 0.18 -0.14 -0.09 0.00 0.00 0.00 0.00 53.44 53.39 2dmf n ALA 104 Cb 0.42 -1.35 0.20 0.00 0.00 0.00 0.00 19.45 18.72 2dmf n ALA 104 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2dmf n GLY 105 N 1.39 4.67 3.79 0.00 0.00 0.92 -5.02 105.19 110.94 2dmf n GLY 105 Ca 0.05 -1.17 -0.34 0.00 0.00 0.00 0.00 46.02 44.57 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 -3.22 3.66 0.00 0.99 1.43 -0.85 -3.40 118.68 117.29 2dmf s LEU 106 Ca 0.48 1.98 0.00 0.00 -1.03 0.00 0.00 54.13 55.56 2dmf s LEU 106 Cb 0.42 -4.56 0.00 0.00 0.03 0.00 0.00 46.19 42.09 2dmf s LEU 106 CO 0.04 -1.13 0.00 0.61 0.23 0.00 0.00 176.35 176.10 2dmf n GLY 107 N -0.37 1.71 2.06 -3.19 0.00 -1.25 -4.91 105.19 99.24 2dmf n GLY 107 Ca 0.10 -0.02 -0.15 0.00 0.00 0.00 0.00 46.02 45.95 2dmf n GLY 107 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2dmf n THR 108 N 0.00 0.00 -2.24 2.61 -2.24 -1.22 -4.69 114.28 106.50 2dmf n THR 108 Ca 0.00 -1.23 -0.41 0.00 -2.27 0.00 0.00 64.05 60.14 2dmf n THR 108 Cb 0.00 -0.11 -0.03 0.00 -2.10 0.00 0.00 70.33 68.09 2dmf n THR 108 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2dmf s ALA 109 N -2.45 3.52 0.00 6.98 0.00 -1.26 -4.80 121.76 123.74 2dmf s ALA 109 Ca 0.13 1.07 0.00 0.00 0.00 0.00 0.00 51.96 53.16 2dmf s ALA 109 Cb -0.01 -3.48 0.00 0.00 0.00 0.00 0.00 23.12 19.63 2dmf s ALA 109 CO 0.08 -0.52 0.00 0.00 0.00 0.00 0.00 175.76 175.32 2dmf n MET 110 N 2.93 0.18 0.00 0.00 3.85 -1.26 -4.86 117.12 117.96 2dmf n MET 110 Ca 0.07 0.00 0.00 0.00 -1.00 0.00 0.00 57.70 56.77 2dmf n MET 110 Cb 0.43 -0.65 0.00 0.00 -1.05 0.00 0.00 33.22 31.95 2dmf n MET 110 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 2dmf n LEU 111 N -1.68 0.00 -0.34 3.17 4.77 -1.26 0.81 117.00 122.48 2dmf n LEU 111 Ca 0.00 0.57 0.07 0.00 -0.03 0.00 0.00 56.01 56.62 2dmf n LEU 111 Cb 0.15 -0.25 0.16 0.00 -2.33 0.00 0.00 43.42 41.15 2dmf n LEU 111 CO 0.00 -0.25 0.65 0.00 -1.33 0.00 0.00 177.39 176.46 2dmf n TYR 112 N -2.27 0.39 0.44 -1.77 9.36 -1.26 -0.88 117.16 121.18 2dmf n TYR 112 Ca 0.00 1.15 -0.17 0.00 3.32 0.00 0.00 57.90 62.19 2dmf n TYR 112 Cb 0.00 -1.08 -0.08 0.00 -0.63 0.00 0.00 39.34 37.55 2dmf n TYR 112 CO 0.00 0.00 0.00 0.93 0.22 0.00 0.00 176.86 178.01 2dmf h GLU 113 N 0.00 -1.09 -0.80 2.98 4.39 0.08 -2.75 114.58 117.39 2dmf h GLU 113 Ca 0.48 0.07 0.20 0.00 0.34 0.00 0.00 59.36 60.45 2dmf h GLU 113 Cb 0.79 0.25 -0.15 0.00 -0.10 0.00 0.00 28.75 29.54 2dmf h GLU 113 CO -0.95 -0.72 -0.05 1.28 -1.16 0.00 0.00 179.01 177.40 2dmf n LEU 114 N -5.23 -0.15 0.20 1.33 4.77 0.11 0.76 117.00 118.78 2dmf n LEU 114 Ca -0.14 1.36 -0.15 0.00 -0.03 0.00 0.00 56.01 57.06 2dmf n LEU 114 Cb 0.44 -0.47 -0.08 0.00 -2.33 0.00 0.00 43.42 40.99 2dmf n LEU 114 CO 0.34 -1.36 0.76 0.40 -1.33 0.00 0.00 177.39 176.20 2dmf h ILE 115 N 0.00 0.67 -0.30 -0.08 2.04 -1.24 -3.11 117.51 115.49 2dmf h ILE 115 Ca 0.45 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.37 2dmf h ILE 115 Cb 0.87 0.67 -0.08 0.00 -0.74 0.00 0.00 36.82 37.54 2dmf h ILE 115 CO -0.77 0.00 -0.49 -0.33 0.00 0.00 0.00 178.15 176.56 2dmf h GLU 116 N -0.44 -0.42 -0.89 2.37 4.39 0.65 -1.14 114.58 119.10 2dmf h GLU 116 Ca -0.04 0.03 0.18 0.00 0.34 0.00 0.00 59.36 59.87 2dmf h GLU 116 Cb 0.35 0.10 -0.17 0.00 -0.10 0.00 0.00 28.75 28.92 2dmf h GLU 116 CO 0.06 -0.28 -0.22 1.17 -1.16 0.00 0.00 179.01 178.58 2dmf n LYS 117 N -5.42 -0.08 -0.34 2.33 3.00 -0.73 0.15 118.16 117.08 2dmf n LYS 117 Ca -0.03 1.39 0.16 0.00 -0.00 0.00 0.00 58.31 59.82 2dmf n LYS 117 Cb 0.36 -2.08 0.36 0.00 0.00 0.00 0.00 35.03 33.67 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 1.82 0.75 3.14 0.00 -1.16 -1.20 103.07 106.43 2dmf h GLY 118 Ca 0.43 -0.30 0.00 0.00 0.00 0.00 0.00 47.33 47.46 2dmf h GLY 118 CO -0.92 -0.20 -0.21 0.50 0.00 0.00 0.00 176.54 175.72 2dmf h LYS 119 N 0.60 -0.42 -0.06 4.80 1.57 0.14 -1.06 116.57 122.13 2dmf h LYS 119 Ca 0.61 0.03 0.04 0.00 -1.87 0.00 0.00 60.65 59.46 2dmf h LYS 119 Cb 1.11 0.10 -0.05 0.00 0.08 0.00 0.00 32.23 33.47 2dmf h LYS 119 CO -0.46 -0.28 -0.21 0.93 -0.57 0.00 0.00 179.45 178.86 2dmf h GLU 120 N -0.44 -0.29 0.15 3.15 4.39 -1.16 -2.59 114.58 117.79 2dmf h GLU 120 Ca 0.00 0.02 0.01 0.00 0.34 0.00 0.00 59.36 59.73 2dmf h GLU 120 Cb 0.42 0.07 -0.05 0.00 -0.10 0.00 0.00 28.75 29.09 2dmf h GLU 120 CO -0.05 -0.19 -0.52 0.82 -1.16 0.00 0.00 179.01 177.90 2dmf h ILE 121 N -0.30 0.02 -0.98 3.13 2.04 -1.22 -2.73 117.51 117.46 2dmf h ILE 121 Ca 0.08 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.03 2dmf h ILE 121 Cb 0.41 0.02 -0.12 0.00 -0.74 0.00 0.00 36.82 36.38 2dmf h ILE 121 CO -0.23 0.00 -0.57 0.25 0.00 0.00 0.00 178.15 177.60 2dmf h LEU 122 N -0.77 -2.07 -0.84 1.44 7.12 -1.01 0.36 115.31 119.54 2dmf h LEU 122 Ca -0.01 0.33 0.23 0.00 0.13 0.00 0.00 57.88 58.56 2dmf h LEU 122 Cb 0.77 0.93 -0.16 0.00 -0.53 0.00 0.00 40.66 41.67 2dmf h LEU 122 CO -0.27 -0.24 0.02 0.41 -0.13 0.00 0.00 178.44 178.23 2dmf n THR 123 N -5.28 -0.35 0.16 1.05 -1.04 -0.99 0.16 114.28 107.98 2dmf n THR 123 Ca 0.03 1.85 -0.10 0.00 -2.04 0.00 0.00 64.05 63.79 2dmf n THR 123 Cb 0.28 -2.71 -0.06 0.00 -1.82 0.00 0.00 70.33 66.03 2dmf n THR 123 CO 0.00 0.00 0.00 -0.78 -0.64 0.00 0.00 175.07 173.65 2dmf h ASP 124 N 0.00 -0.40 -0.46 8.00 1.82 -0.29 -3.27 116.42 121.82 2dmf h ASP 124 Ca 0.51 -0.10 -0.31 0.00 -0.39 0.00 0.00 57.03 56.74 2dmf h ASP 124 Cb 1.06 0.10 -0.13 0.00 0.68 0.00 0.00 39.33 41.04 2dmf h ASP 124 CO -0.79 0.05 0.41 0.59 -1.61 0.00 0.00 179.24 177.89 2dmf n ASN 125 N -5.10 6.44 0.12 2.28 3.02 0.24 -4.39 115.26 117.88 2dmf n ASN 125 Ca -0.08 -3.05 -0.02 0.00 -0.03 0.00 0.00 54.58 51.41 2dmf n ASN 125 Cb 0.24 -1.06 0.18 0.00 -0.61 0.00 0.00 39.78 38.53 2dmf n ASN 125 CO 0.00 0.00 0.00 -1.13 -2.62 0.00 0.00 177.26 173.51 2dmf h ASN 126 N 1.47 0.10 -3.17 6.41 -1.24 0.14 -3.44 115.58 115.85 2dmf h ASN 126 Ca 0.28 -0.05 -0.53 0.00 0.71 0.00 0.00 56.30 56.70 2dmf h ASN 126 Cb 0.91 -0.03 0.00 0.00 0.73 0.00 0.00 38.32 39.94 2dmf h ASN 126 CO 0.74 0.65 0.58 -0.63 -1.29 0.00 0.00 177.43 177.48 2dmf s ILE 127 N -3.75 3.97 0.55 2.57 1.09 -1.26 -4.88 121.20 119.49 2dmf s ILE 127 Ca -0.02 1.42 -0.09 0.00 -1.10 0.00 0.00 60.65 60.85 2dmf s ILE 127 Cb 0.13 -3.91 0.14 0.00 -1.06 0.00 0.00 42.46 37.76 2dmf s ILE 127 CO 0.77 0.11 0.48 -0.81 -0.10 0.00 0.00 174.94 175.39 2dmf n PRO 128 N 3.96 -1.98 -4.63 2.79 -0.04 -1.26 -4.92 135.00 128.92 2dmf n PRO 128 Ca 0.09 -0.78 -0.30 0.00 -0.04 0.00 0.00 63.50 62.48 2dmf n PRO 128 Cb 0.46 -0.73 -0.09 0.00 -0.04 0.00 0.00 33.50 33.10 2dmf n PRO 128 CO 0.00 0.00 0.00 -3.38 -0.04 0.00 0.00 175.50 172.08 2dmf s HIS 129 N -1.88 2.22 0.00 0.54 -3.43 -0.87 -5.01 115.29 106.87 2dmf s HIS 129 Ca 0.31 -0.79 0.00 0.00 -0.80 0.00 0.00 55.06 53.78 2dmf s HIS 129 Cb -0.03 -1.72 0.00 0.00 -1.43 0.00 0.00 32.58 29.39 2dmf s HIS 129 CO 0.24 0.31 0.00 0.41 -2.00 0.00 0.00 174.74 173.70 2dmf n GLY 130 N -1.14 1.05 3.59 -1.38 0.00 -1.26 -5.01 105.19 101.04 2dmf n GLY 130 Ca -0.11 -0.81 -0.42 0.00 0.00 0.00 0.00 46.02 44.68 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 -0.48 3.36 0.18 1.61 2.00 -1.26 -4.95 119.66 120.12 2dmf s GLN 131 Ca 0.00 0.97 -0.32 0.00 -2.00 0.00 0.00 55.36 54.01 2dmf s GLN 131 Cb 0.00 -4.13 -0.11 0.00 0.80 0.00 0.00 33.01 29.57 2dmf s GLN 131 CO 0.00 -1.84 1.72 -1.12 -0.50 0.00 0.00 175.29 173.56 2dmf s SER 132 N 5.09 6.43 0.00 6.67 0.01 -1.26 -4.96 113.70 125.68 2dmf s SER 132 Ca 0.66 2.79 0.00 0.00 1.31 0.00 0.00 55.95 60.71 2dmf s SER 132 Cb -0.16 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 63.48 2dmf s SER 132 CO 0.30 -0.96 0.00 0.61 0.41 0.00 0.00 173.24 173.61 2dmf n GLY 133 N 4.01 1.35 3.58 3.44 0.00 -1.26 -5.11 105.19 111.19 2dmf n GLY 133 Ca 0.16 0.24 -0.41 0.00 0.00 0.00 0.00 46.02 46.01 2dmf n GLY 133 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dmf s PRO 134 N -0.27 3.06 -0.51 1.61 0.04 -1.26 -4.96 135.00 132.71 2dmf s PRO 134 Ca 0.00 1.01 -0.22 0.00 0.04 0.00 0.00 61.00 61.83 2dmf s PRO 134 Cb 0.00 -4.26 0.04 0.00 0.04 0.00 0.00 34.50 30.33 2dmf s PRO 134 CO 0.00 -2.19 0.78 -1.54 0.04 0.00 0.00 177.00 174.09 2dmf s SER 135 N 6.65 6.30 -1.21 6.66 1.04 -1.26 -4.98 113.70 126.91 2dmf s SER 135 Ca 0.72 -0.53 -0.17 0.00 0.48 0.00 0.00 55.95 56.46 2dmf s SER 135 Cb -0.17 -2.37 0.12 0.00 0.10 0.00 0.00 66.02 63.70 2dmf s SER 135 CO 0.28 -1.03 1.53 -0.55 0.98 0.00 0.00 173.24 174.45 2dmf s SER 136 N 2.62 6.89 0.00 7.02 0.15 -1.26 -5.35 113.70 123.78 2dmf s SER 136 Ca 0.24 -2.57 0.00 0.00 0.70 0.00 0.00 55.95 54.32 2dmf s SER 136 Cb -0.15 -2.49 0.00 0.00 -1.71 0.00 0.00 66.02 61.67 2dmf s SER 136 CO 0.17 -1.01 0.00 0.61 1.20 0.00 0.00 173.24 174.21