#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 6.55 0.44 1.61 0.01 -1.26 -4.99 113.70 116.06 2dmf s SER 2 Ca 0.00 -1.59 -0.16 0.00 1.31 0.00 0.00 55.95 55.51 2dmf s SER 2 Cb 0.00 -2.56 -0.08 0.00 0.21 0.00 0.00 66.02 63.58 2dmf s SER 2 CO 0.00 -1.45 0.89 -0.44 0.41 0.00 0.00 173.24 172.65 2dmf s SER 3 N 4.83 6.68 -0.15 2.44 0.01 -1.26 -5.07 113.70 121.18 2dmf s SER 3 Ca 0.46 1.44 0.00 0.00 1.31 0.00 0.00 55.95 59.17 2dmf s SER 3 Cb 0.00 -2.45 0.02 0.00 0.21 0.00 0.00 66.02 63.81 2dmf s SER 3 CO -0.08 -0.44 -0.14 -0.83 0.41 0.00 0.00 173.24 172.16 2dmf s GLY 4 N -2.80 1.12 -0.15 3.44 0.00 -1.26 -5.12 107.32 102.55 2dmf s GLY 4 Ca 0.57 -0.89 -0.08 0.00 0.00 0.00 0.00 44.72 44.32 2dmf s GLY 4 CO 0.26 0.52 0.13 -1.35 0.00 0.00 0.00 173.10 172.66 2dmf s SER 5 N 1.47 6.31 -0.16 1.64 1.04 -1.26 -4.79 113.70 117.96 2dmf s SER 5 Ca 0.05 0.38 -0.11 0.00 0.48 0.00 0.00 55.95 56.74 2dmf s SER 5 Cb -0.13 -2.07 0.05 0.00 0.10 0.00 0.00 66.02 63.97 2dmf s SER 5 CO -0.10 0.33 0.39 -0.55 0.98 0.00 0.00 173.24 174.29 2dmf s SER 6 N -0.53 -0.45 0.00 7.02 0.15 -1.26 -5.13 113.70 113.50 2dmf s SER 6 Ca 0.12 0.83 0.00 0.00 0.70 0.00 0.00 55.95 57.60 2dmf s SER 6 Cb -0.12 0.77 0.00 0.00 -1.71 0.00 0.00 66.02 64.96 2dmf s SER 6 CO 0.02 -0.17 0.00 0.61 1.20 0.00 0.00 173.24 174.90 2dmf n GLY 7 N 3.59 6.37 3.57 9.45 0.00 -1.26 -4.98 105.19 121.92 2dmf n GLY 7 Ca -0.19 -1.69 -0.27 0.00 0.00 0.00 0.00 46.02 43.87 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 1.08 1.98 -0.19 1.61 0.41 -1.26 -5.09 118.70 117.23 2dmf s GLU 8 Ca 0.00 -2.21 -0.18 0.00 -0.41 0.00 0.00 54.97 52.17 2dmf s GLU 8 Cb 0.00 -0.83 -0.14 0.00 -1.78 0.00 0.00 34.13 31.38 2dmf s GLU 8 CO 0.00 -0.44 0.06 0.39 -0.49 0.00 0.00 175.26 174.78 2dmf n GLU 9 N -0.98 0.53 -0.94 1.61 4.71 -1.26 -4.30 120.64 120.02 2dmf n GLU 9 Ca -0.09 0.54 -0.15 0.00 -0.01 0.00 0.00 57.16 57.45 2dmf n GLU 9 Cb 0.65 -1.72 0.00 0.00 -1.01 0.00 0.00 31.44 29.37 2dmf n GLU 9 CO 0.00 0.00 0.00 -3.47 0.09 0.00 0.00 177.13 173.75 2dmf n ASP 10 N -4.48 6.22 -4.53 1.62 -0.08 -1.26 -4.87 116.55 109.17 2dmf n ASP 10 Ca -0.26 -2.95 -0.40 0.00 -1.51 0.00 0.00 54.79 49.67 2dmf n ASP 10 Cb 0.57 -1.12 -0.10 0.00 2.34 0.00 0.00 41.12 42.80 2dmf n ASP 10 CO 0.00 0.00 0.00 0.86 0.12 0.00 0.00 177.20 178.18 2dmf s TRP 11 N -1.34 3.23 -0.42 -0.67 -0.00 -1.26 -4.94 118.94 113.54 2dmf s TRP 11 Ca 0.33 -0.18 0.23 0.00 -0.00 0.00 0.00 56.10 56.48 2dmf s TRP 11 Cb 0.23 -2.50 0.30 0.00 -0.00 0.00 0.00 33.47 31.51 2dmf s TRP 11 CO -0.04 -0.36 1.55 -0.39 -0.00 0.00 0.00 176.95 177.71 2dmf h VAL 12 N 5.49 0.02 -0.26 5.86 -1.51 -1.93 -3.30 116.25 120.62 2dmf h VAL 12 Ca -0.31 -1.02 0.06 0.00 -1.23 0.00 0.00 66.70 64.19 2dmf h VAL 12 Cb 1.16 1.96 -0.06 0.00 -2.13 0.00 0.00 31.29 32.22 2dmf h VAL 12 CO 0.64 0.01 -0.13 0.25 -1.23 0.00 0.00 177.57 177.11 2dmf h LEU 13 N 0.00 -0.44 -0.38 4.19 7.12 -1.92 -0.93 115.31 122.95 2dmf h LEU 13 Ca -0.00 0.10 -0.16 0.00 0.13 0.00 0.00 57.88 57.95 2dmf h LEU 13 Cb 1.01 0.24 -0.01 0.00 -0.53 0.00 0.00 40.66 41.37 2dmf h LEU 13 CO 0.00 -0.17 -0.40 1.55 -0.13 0.00 0.00 178.44 179.30 2dmf h PRO 14 N -0.10 0.94 0.43 5.25 0.13 -1.99 -2.97 132.00 133.69 2dmf h PRO 14 Ca 0.14 -0.50 -0.01 0.00 -0.87 0.00 0.00 66.00 64.75 2dmf h PRO 14 Cb 0.31 0.02 -0.02 0.00 0.13 0.00 0.00 31.00 31.44 2dmf h PRO 14 CO -0.32 1.16 -0.40 0.77 -0.23 0.00 0.00 178.00 178.98 2dmf h SER 15 N 0.76 -1.06 -0.36 1.44 0.02 -1.54 -2.61 113.55 110.20 2dmf h SER 15 Ca 0.06 0.09 0.07 0.00 -0.84 0.00 0.00 61.79 61.17 2dmf h SER 15 Cb 0.99 0.35 -0.07 0.00 0.14 0.00 0.00 62.40 63.81 2dmf h SER 15 CO 0.10 -0.56 -0.11 -0.08 -1.14 0.00 0.00 176.83 175.04 2dmf h GLU 16 N -0.84 -0.03 -0.84 3.45 4.57 -1.25 -1.67 114.58 117.97 2dmf h GLU 16 Ca -0.04 0.00 0.21 0.00 -1.18 0.00 0.00 59.36 58.35 2dmf h GLU 16 Cb 0.73 0.01 -0.15 0.00 -0.16 0.00 0.00 28.75 29.18 2dmf h GLU 16 CO -0.04 -0.02 0.04 0.28 -1.18 0.00 0.00 179.01 178.09 2dmf h VAL 17 N -0.03 0.25 -0.91 0.32 2.07 -1.33 0.31 116.25 116.93 2dmf h VAL 17 Ca 0.17 -0.03 0.25 0.00 0.82 0.00 0.00 66.70 67.91 2dmf h VAL 17 Cb 0.29 0.14 -0.14 0.00 -1.52 0.00 0.00 31.29 30.07 2dmf h VAL 17 CO -0.38 0.02 0.33 -0.33 0.02 0.00 0.00 177.57 177.22 2dmf h GLU 18 N 0.10 0.25 -0.06 1.57 5.08 -0.93 0.62 114.58 121.22 2dmf h GLU 18 Ca 0.48 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.81 2dmf h GLU 18 Cb 0.91 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 30.10 2dmf h GLU 18 CO -0.74 0.17 -0.05 0.28 -1.00 0.00 0.00 179.01 177.67 2dmf h VAL 19 N 0.26 1.37 0.13 3.13 2.07 -0.45 -3.26 116.25 119.50 2dmf h VAL 19 Ca 0.59 -1.19 0.02 0.00 0.82 0.00 0.00 66.70 66.94 2dmf h VAL 19 Cb 1.22 2.05 -0.05 0.00 -1.52 0.00 0.00 31.29 33.00 2dmf h VAL 19 CO -0.63 0.33 -0.44 -0.07 0.02 0.00 0.00 177.57 176.78 2dmf h LEU 20 N -0.31 -1.30 -1.92 2.57 3.38 -0.50 -0.02 115.31 117.22 2dmf h LEU 20 Ca 0.01 0.14 0.48 0.00 0.09 0.00 0.00 57.88 58.60 2dmf h LEU 20 Cb 0.55 0.48 -0.07 0.00 0.09 0.00 0.00 40.66 41.72 2dmf h LEU 20 CO 0.01 -0.51 1.24 -0.33 0.09 0.00 0.00 178.44 178.95 2dmf h GLU 21 N -0.68 0.00 0.03 1.13 5.08 -1.06 1.78 114.58 120.86 2dmf h GLU 21 Ca 0.02 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 58.13 2dmf h GLU 21 Cb 0.70 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.96 2dmf h GLU 21 CO -0.25 0.00 -1.03 0.77 -1.00 0.00 0.00 179.01 177.50 2dmf h SER 22 N 0.00 0.63 0.00 1.42 0.02 -1.05 -1.88 113.55 112.70 2dmf h SER 22 Ca 0.79 -0.53 -0.05 0.00 -0.84 0.00 0.00 61.79 61.16 2dmf h SER 22 Cb 3.26 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 65.60 2dmf h SER 22 CO -0.01 1.34 -0.55 0.40 -1.14 0.00 0.00 176.83 176.88 2dmf h ILE 23 N 0.25 0.28 -1.41 3.27 2.04 0.27 -3.39 117.51 118.82 2dmf h ILE 23 Ca -0.11 -1.31 -0.71 0.00 1.00 0.00 0.00 64.86 63.73 2dmf h ILE 23 Cb 1.69 0.63 -0.29 0.00 -0.74 0.00 0.00 36.82 38.11 2dmf h ILE 23 CO 0.18 0.10 0.90 -1.22 0.00 0.00 0.00 178.15 178.11 2dmf n TYR 24 N -4.61 3.13 -0.36 1.37 4.01 0.24 -4.77 117.16 116.17 2dmf n TYR 24 Ca -0.11 -2.73 0.05 0.00 -0.16 0.00 0.00 57.90 54.95 2dmf n TYR 24 Cb 0.32 -1.30 0.12 0.00 -0.31 0.00 0.00 39.34 38.17 2dmf n TYR 24 CO 0.00 0.00 0.00 1.47 -0.46 0.00 0.00 176.86 177.87 2dmf n LEU 25 N -0.75 -0.39 -0.10 7.72 -0.00 -0.71 -1.81 117.00 120.96 2dmf n LEU 25 Ca 0.59 1.69 -0.21 0.00 -0.00 0.00 0.00 56.01 58.08 2dmf n LEU 25 Cb 0.49 -0.49 -0.07 0.00 -0.00 0.00 0.00 43.42 43.35 2dmf n LEU 25 CO 0.67 -1.61 -1.17 -0.67 -0.00 0.00 0.00 177.39 174.61 2dmf n ASP 26 N -5.58 1.46 -0.24 1.45 2.03 -1.26 -4.57 116.55 109.84 2dmf n ASP 26 Ca 0.15 0.22 0.17 0.00 0.52 0.00 0.00 54.79 55.85 2dmf n ASP 26 Cb 0.48 -0.56 0.32 0.00 -0.72 0.00 0.00 41.12 40.64 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 -3.82 -0.05 -5.14 -0.67 -0.58 -1.20 -4.09 120.64 105.08 2dmf n GLU 27 Ca -0.38 1.05 -0.32 0.00 -0.42 0.00 0.00 57.16 57.09 2dmf n GLU 27 Cb 0.78 -1.77 -0.15 0.00 -0.57 0.00 0.00 31.44 29.73 2dmf n GLU 27 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 2dmf s LEU 28 N -9.65 2.33 -0.12 -4.62 0.20 -0.75 -3.40 118.68 102.67 2dmf s LEU 28 Ca -0.08 -0.36 -0.06 0.00 0.69 0.00 0.00 54.13 54.32 2dmf s LEU 28 Cb 0.23 -1.43 -0.04 0.00 -0.43 0.00 0.00 46.19 44.53 2dmf s LEU 28 CO 0.57 0.33 0.09 -1.10 -0.29 0.00 0.00 176.35 175.94 2dmf s GLN 29 N -0.67 3.40 -0.13 1.98 1.11 0.63 -4.67 119.66 121.31 2dmf s GLN 29 Ca 0.11 -0.25 0.01 0.00 0.01 0.00 0.00 55.36 55.24 2dmf s GLN 29 Cb -0.10 -3.08 -0.00 0.00 -1.01 0.00 0.00 33.01 28.82 2dmf s GLN 29 CO -0.00 0.67 -0.17 0.08 0.01 0.00 0.00 175.29 175.87 2dmf s VAL 30 N -0.74 2.58 -0.39 1.09 1.01 -1.26 -0.61 120.40 122.07 2dmf s VAL 30 Ca 0.13 -0.82 0.01 0.00 0.00 0.00 0.00 61.98 61.30 2dmf s VAL 30 Cb -0.12 -2.06 0.12 0.00 0.00 0.00 0.00 36.38 34.33 2dmf s VAL 30 CO 0.03 0.53 0.18 -0.63 0.00 0.00 0.00 175.10 175.21 2dmf s ILE 31 N 0.52 1.27 -0.03 2.22 -1.09 0.18 -5.00 121.20 119.27 2dmf s ILE 31 Ca -0.11 -2.18 -0.14 0.00 -2.23 0.00 0.00 60.65 55.99 2dmf s ILE 31 Cb -0.16 -1.91 -0.05 0.00 -1.58 0.00 0.00 42.46 38.75 2dmf s ILE 31 CO 0.04 -0.81 0.39 -1.59 -1.23 0.00 0.00 174.94 171.74 2dmf s LYS 32 N 0.78 3.95 -0.04 2.79 -2.85 -1.26 0.12 119.74 123.24 2dmf s LYS 32 Ca 0.15 0.36 -0.03 0.00 -1.00 0.00 0.00 55.97 55.45 2dmf s LYS 32 Cb -0.22 -3.25 0.01 0.00 -2.06 0.00 0.00 37.83 32.31 2dmf s LYS 32 CO -0.08 0.61 0.05 0.41 0.10 0.00 0.00 175.35 176.45 2dmf n GLY 33 N 2.09 -3.62 3.15 0.59 0.00 -0.89 -5.00 105.19 101.51 2dmf n GLY 33 Ca -0.14 0.08 0.06 0.00 0.00 0.00 0.00 46.02 46.02 2dmf n GLY 33 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2dmf s ASN 34 N -0.18 -0.36 0.00 1.61 3.84 -1.24 -4.94 114.94 113.68 2dmf s ASN 34 Ca -0.06 0.13 0.00 0.00 0.21 0.00 0.00 52.86 53.13 2dmf s ASN 34 Cb 0.00 1.26 0.00 0.00 -0.55 0.00 0.00 41.25 41.97 2dmf s ASN 34 CO 0.17 -0.07 0.00 0.61 -2.79 0.00 0.00 177.10 175.02 2dmf n GLY 35 N 5.29 0.21 0.09 1.21 0.00 -1.26 -4.05 105.19 106.68 2dmf n GLY 35 Ca 0.01 -1.98 -0.15 0.00 0.00 0.00 0.00 46.02 43.89 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 0.52 0.00 1.61 3.00 -1.26 -4.16 116.66 116.37 2dmf n ARG 36 Ca 0.00 0.53 0.00 0.00 -0.01 0.00 0.00 57.85 58.37 2dmf n ARG 36 Cb 0.00 -1.70 0.00 0.00 0.00 0.00 0.00 32.46 30.76 2dmf n ARG 36 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.63 177.88 2dmf n THR 37 N -4.49 0.00 -4.02 0.55 -2.24 -1.26 -4.87 114.28 97.94 2dmf n THR 37 Ca -0.24 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.25 2dmf n THR 37 Cb 0.53 -0.21 -0.06 0.00 -2.10 0.00 0.00 70.33 68.49 2dmf n THR 37 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2dmf n SER 38 N -0.29 -0.21 -4.70 3.42 3.41 -1.26 -4.68 113.62 109.30 2dmf n SER 38 Ca 0.00 -1.07 -0.29 0.00 -0.26 0.00 0.00 58.87 57.25 2dmf n SER 38 Cb 0.10 -1.32 0.16 0.00 -0.26 0.00 0.00 64.21 62.89 2dmf n SER 38 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 2dmf s PRO 39 N -6.76 0.85 -0.38 4.33 0.04 -1.26 -4.02 135.00 127.80 2dmf s PRO 39 Ca 0.10 0.67 -0.06 0.00 0.04 0.00 0.00 61.00 61.75 2dmf s PRO 39 Cb -0.06 -1.77 0.07 0.00 0.04 0.00 0.00 34.50 32.78 2dmf s PRO 39 CO 0.83 -2.48 0.17 -1.58 0.04 0.00 0.00 177.00 173.98 2dmf s TRP 40 N -2.95 3.36 -0.19 0.56 0.52 -0.08 -2.10 118.94 118.06 2dmf s TRP 40 Ca 0.64 -1.73 -0.17 0.00 0.02 0.00 0.00 56.10 54.87 2dmf s TRP 40 Cb -0.18 -2.72 -0.04 0.00 -1.15 0.00 0.00 33.47 29.38 2dmf s TRP 40 CO 0.57 -0.84 0.45 -2.00 0.02 0.00 0.00 176.95 175.16 2dmf s GLU 41 N 1.34 4.21 0.03 4.98 2.12 0.12 0.02 118.70 131.52 2dmf s GLU 41 Ca 0.02 0.31 0.07 0.00 0.36 0.00 0.00 54.97 55.73 2dmf s GLU 41 Cb -0.22 -3.53 -0.02 0.00 0.26 0.00 0.00 34.13 30.62 2dmf s GLU 41 CO 0.01 -0.04 -0.19 0.42 -0.54 0.00 0.00 175.26 174.91 2dmf s ILE 42 N 1.30 1.54 0.21 -3.70 1.01 0.99 0.52 121.20 123.07 2dmf s ILE 42 Ca 0.22 -1.10 0.04 0.00 0.00 0.00 0.00 60.65 59.81 2dmf s ILE 42 Cb -0.15 -1.34 -0.05 0.00 0.01 0.00 0.00 42.46 40.93 2dmf s ILE 42 CO 0.09 0.20 -0.03 -0.31 0.00 0.00 0.00 174.94 174.89 2dmf s TYR 43 N -0.75 1.49 -0.05 3.97 2.02 0.22 0.08 117.35 124.33 2dmf s TYR 43 Ca 0.06 -0.88 -0.29 0.00 -0.37 0.00 0.00 57.07 55.60 2dmf s TYR 43 Cb -0.08 -0.84 0.10 0.00 -0.40 0.00 0.00 41.96 40.74 2dmf s TYR 43 CO 0.01 -0.00 0.85 -1.50 -1.57 0.00 0.00 175.55 173.35 2dmf s ILE 44 N -3.39 0.00 -0.17 2.71 2.07 -1.19 -0.27 121.20 120.96 2dmf s ILE 44 Ca 0.25 0.00 0.01 0.00 -1.41 0.00 0.00 60.65 59.50 2dmf s ILE 44 Cb 0.05 -1.00 0.03 0.00 0.13 0.00 0.00 42.46 41.67 2dmf s ILE 44 CO 0.07 0.00 -0.12 -0.89 -1.91 0.00 0.00 174.94 172.09 2dmf s THR 45 N -2.11 1.60 0.28 4.00 2.01 -1.22 -1.28 115.64 118.91 2dmf s THR 45 Ca -0.01 -0.81 0.01 0.00 0.31 0.00 0.00 61.69 61.20 2dmf s THR 45 Cb -0.01 -1.58 -0.03 0.00 0.01 0.00 0.00 72.50 70.89 2dmf s THR 45 CO -0.02 0.32 0.46 -0.76 -0.69 0.00 0.00 174.62 173.93 2dmf s LEU 46 N 1.45 4.15 0.02 4.42 1.02 -1.25 -4.99 118.68 123.49 2dmf s LEU 46 Ca 0.02 0.33 0.03 0.00 0.02 0.00 0.00 54.13 54.53 2dmf s LEU 46 Cb -0.14 -3.15 -0.01 0.00 0.02 0.00 0.00 46.19 42.90 2dmf s LEU 46 CO -0.10 -0.17 -0.09 -1.00 0.02 0.00 0.00 176.35 175.02 2dmf s HIS 47 N -2.11 0.78 1.11 0.29 3.76 -1.26 -4.30 115.29 113.55 2dmf s HIS 47 Ca 0.38 -0.26 -0.16 0.00 -0.15 0.00 0.00 55.06 54.87 2dmf s HIS 47 Cb -0.10 -0.48 0.24 0.00 1.11 0.00 0.00 32.58 33.36 2dmf s HIS 47 CO 0.32 -0.02 1.10 -1.25 -0.85 0.00 0.00 174.74 174.05 2dmf s PRO 48 N -0.71 -0.47 -0.79 8.40 0.04 -1.26 -4.78 135.00 135.42 2dmf s PRO 48 Ca -0.00 0.20 -0.25 0.00 0.04 0.00 0.00 61.00 60.98 2dmf s PRO 48 Cb -0.06 -1.66 -0.04 0.00 0.04 0.00 0.00 34.50 32.78 2dmf s PRO 48 CO 0.00 -3.27 1.93 0.00 0.04 0.00 0.00 177.00 175.70 2dmf s ALA 49 N -2.99 1.83 0.29 8.56 0.00 -1.26 -4.90 121.76 123.28 2dmf s ALA 49 Ca 0.68 -1.17 0.03 0.00 0.00 0.00 0.00 51.96 51.50 2dmf s ALA 49 Cb -0.14 -4.46 -0.04 0.00 0.00 0.00 0.00 23.12 18.48 2dmf s ALA 49 CO 0.57 -4.50 0.17 0.95 0.00 0.00 0.00 175.76 172.94 2dmf s THR 50 N 9.82 0.24 0.00 0.00 -4.23 -1.26 -5.07 115.64 115.14 2dmf s THR 50 Ca 0.70 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 59.21 2dmf s THR 50 Cb -0.09 -2.51 0.00 0.00 1.34 0.00 0.00 72.50 71.24 2dmf s THR 50 CO 0.07 0.00 0.00 0.00 -0.54 0.00 0.00 174.62 174.15 2dmf n ALA 51 N -0.53 1.65 -1.15 3.99 0.00 -1.26 -4.83 120.51 118.38 2dmf n ALA 51 Ca 0.02 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.51 2dmf n ALA 51 Cb 0.65 0.11 0.23 0.00 0.00 0.00 0.00 19.45 20.43 2dmf n ALA 51 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2dmf n GLU 52 N -1.37 2.37 -1.45 0.00 0.28 -1.26 -4.60 120.64 114.61 2dmf n GLU 52 Ca 0.00 -2.92 -0.24 0.00 -0.16 0.00 0.00 57.16 53.85 2dmf n GLU 52 Cb 0.14 -1.79 0.09 0.00 1.43 0.00 0.00 31.44 31.31 2dmf n GLU 52 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 2dmf n ASP 53 N -0.82 5.28 -0.11 -1.84 9.92 -1.26 -4.60 116.55 123.12 2dmf n ASP 53 Ca 0.24 -3.77 -0.24 0.00 -0.53 0.00 0.00 54.79 50.49 2dmf n ASP 53 Cb 0.90 -0.67 -0.11 0.00 -0.64 0.00 0.00 41.12 40.60 2dmf n ASP 53 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2dmf n GLN 54 N -0.91 0.60 -0.07 -1.24 6.02 -1.26 -4.40 117.38 116.12 2dmf n GLN 54 Ca 0.50 0.39 -0.12 0.00 -0.01 0.00 0.00 57.00 57.75 2dmf n GLN 54 Cb 0.92 -1.63 -0.05 0.00 1.02 0.00 0.00 30.24 30.50 2dmf n GLN 54 CO 0.00 0.00 0.00 0.22 -1.01 0.00 0.00 177.06 176.27 2dmf h ASP 55 N -0.79 0.42 -3.66 1.08 3.58 -1.96 -3.41 116.42 111.69 2dmf h ASP 55 Ca -0.51 -0.39 -0.67 0.00 0.42 0.00 0.00 57.03 55.87 2dmf h ASP 55 Cb 1.56 -0.12 -0.35 0.00 1.72 0.00 0.00 39.33 42.14 2dmf h ASP 55 CO -0.25 0.72 -0.77 -0.55 -2.88 0.00 0.00 179.24 175.51 2dmf s SER 56 N -6.05 4.34 0.13 2.28 0.15 -1.26 -5.11 113.70 108.18 2dmf s SER 56 Ca -0.14 -1.15 0.01 0.00 0.70 0.00 0.00 55.95 55.37 2dmf s SER 56 Cb 0.06 -1.60 -0.04 0.00 -1.71 0.00 0.00 66.02 62.73 2dmf s SER 56 CO 0.75 -0.17 0.28 0.00 1.20 0.00 0.00 173.24 175.31 2dmf s GLN 57 N 1.21 3.47 0.12 5.44 -2.07 -1.26 -4.67 119.66 121.89 2dmf s GLN 57 Ca -0.04 -0.46 0.00 0.00 -1.82 0.00 0.00 55.36 53.04 2dmf s GLN 57 Cb -0.18 -2.96 0.00 0.00 -1.09 0.00 0.00 33.01 28.78 2dmf s GLN 57 CO -0.05 0.53 0.00 0.98 -1.32 0.00 0.00 175.29 175.43 2dmf n TYR 58 N -0.24 -0.74 -3.44 9.60 9.36 -1.26 -5.05 117.16 125.40 2dmf n TYR 58 Ca -0.06 0.13 -0.39 0.00 3.32 0.00 0.00 57.90 60.91 2dmf n TYR 58 Cb 0.53 0.25 -0.09 0.00 -0.63 0.00 0.00 39.34 39.39 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 -1.63 5.21 -0.21 2.97 0.11 -1.26 -4.59 120.40 121.01 2dmf s VAL 59 Ca 0.00 0.48 -0.27 0.00 -2.93 0.00 0.00 61.98 59.26 2dmf s VAL 59 Cb 0.00 -3.66 0.07 0.00 -1.53 0.00 0.00 36.38 31.26 2dmf s VAL 59 CO 0.00 0.18 0.71 0.00 -3.33 0.00 0.00 175.10 172.66 2dmf s PHE 61 N -0.08 1.31 -0.93 0.00 -0.71 -1.26 -2.90 117.98 113.41 2dmf s PHE 61 Ca -0.03 -0.67 -0.24 0.00 -1.04 0.00 0.00 56.93 54.95 2dmf s PHE 61 Cb -0.04 -1.14 0.03 0.00 -1.21 0.00 0.00 43.02 40.67 2dmf s PHE 61 CO 0.04 -0.49 1.48 0.99 -1.34 0.00 0.00 175.22 175.89 2dmf s THR 62 N 1.76 3.81 -0.51 -4.49 2.01 -1.16 -3.82 115.64 113.24 2dmf s THR 62 Ca 0.04 -0.44 -0.26 0.00 0.31 0.00 0.00 61.69 61.34 2dmf s THR 62 Cb -0.13 -4.88 -0.07 0.00 0.01 0.00 0.00 72.50 67.43 2dmf s THR 62 CO -0.07 -1.78 2.38 -0.22 -0.69 0.00 0.00 174.62 174.23 2dmf s LEU 63 N 5.81 3.39 -0.45 4.42 2.96 -0.41 -2.88 118.68 131.52 2dmf s LEU 63 Ca 0.47 1.01 -0.28 0.00 -0.22 0.00 0.00 54.13 55.10 2dmf s LEU 63 Cb -0.03 -2.50 0.03 0.00 0.50 0.00 0.00 46.19 44.19 2dmf s LEU 63 CO -0.03 -2.89 1.09 -0.69 -1.32 0.00 0.00 176.35 172.51 2dmf s VAL 64 N 12.15 4.30 -0.41 1.68 1.01 -0.56 -3.14 120.40 135.42 2dmf s VAL 64 Ca 0.96 1.20 -0.06 0.00 0.00 0.00 0.00 61.98 64.08 2dmf s VAL 64 Cb -0.17 -4.55 0.09 0.00 0.00 0.00 0.00 36.38 31.76 2dmf s VAL 64 CO 0.25 -0.91 0.22 -0.76 0.00 0.00 0.00 175.10 173.90 2dmf s LEU 65 N 4.22 5.12 -0.48 3.92 1.43 0.11 -2.49 118.68 130.50 2dmf s LEU 65 Ca 0.45 -1.73 -0.17 0.00 -1.03 0.00 0.00 54.13 51.65 2dmf s LEU 65 Cb -0.08 -1.90 0.06 0.00 0.03 0.00 0.00 46.19 44.30 2dmf s LEU 65 CO 0.29 -0.53 0.48 -1.58 0.23 0.00 0.00 176.35 175.24 2dmf s GLN 66 N 1.29 3.04 -0.42 1.70 0.74 -1.06 -0.01 119.66 124.93 2dmf s GLN 66 Ca 0.04 -1.14 -0.26 0.00 0.05 0.00 0.00 55.36 54.05 2dmf s GLN 66 Cb -0.23 -4.11 0.02 0.00 1.10 0.00 0.00 33.01 29.79 2dmf s GLN 66 CO -0.01 -1.09 0.95 0.08 -0.55 0.00 0.00 175.29 174.67 2dmf s VAL 67 N 2.04 4.49 0.79 1.34 1.01 0.10 -1.18 120.40 129.00 2dmf s VAL 67 Ca 0.09 0.98 -0.13 0.00 0.00 0.00 0.00 61.98 62.92 2dmf s VAL 67 Cb -0.22 -4.41 0.20 0.00 0.00 0.00 0.00 36.38 31.95 2dmf s VAL 67 CO 0.09 -0.73 0.70 -0.81 0.00 0.00 0.00 175.10 174.35 2dmf n PRO 68 N 7.08 -2.40 0.14 2.72 -0.04 -1.26 -0.90 135.00 140.35 2dmf n PRO 68 Ca 0.07 -1.13 0.13 0.00 -0.04 0.00 0.00 63.50 62.53 2dmf n PRO 68 Cb 0.48 -1.06 0.32 0.00 -0.04 0.00 0.00 33.50 33.21 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 -2.48 0.99 0.14 0.55 0.00 -1.93 -3.26 119.26 113.27 2dmf h ALA 69 Ca -0.26 0.00 -0.32 0.00 0.00 0.00 0.00 54.91 54.33 2dmf h ALA 69 Cb 0.81 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.60 2dmf h ALA 69 CO 0.17 0.00 -1.56 0.93 0.00 0.00 0.00 179.25 178.80 2dmf h GLU 70 N 0.00 0.30 -3.76 0.00 5.08 -1.92 -3.48 114.58 110.80 2dmf h GLU 70 Ca 0.00 -0.51 -0.41 0.00 -1.00 0.00 0.00 59.36 57.44 2dmf h GLU 70 Cb 0.83 0.19 0.08 0.00 0.50 0.00 0.00 28.75 30.35 2dmf h GLU 70 CO 0.00 1.18 -0.44 0.98 -1.00 0.00 0.00 179.01 179.73 2dmf n TYR 71 N -3.50 -0.71 0.21 4.33 4.19 -1.23 -2.08 117.16 118.37 2dmf n TYR 71 Ca -0.18 0.52 0.07 0.00 3.31 0.00 0.00 57.90 61.63 2dmf n TYR 71 Cb 1.05 -1.18 0.43 0.00 0.49 0.00 0.00 39.34 40.13 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 0.46 0.00 -0.49 2.98 0.13 -1.90 -3.44 132.00 129.74 2dmf h PRO 72 Ca -0.20 0.00 0.19 0.00 -0.87 0.00 0.00 66.00 65.12 2dmf h PRO 72 Cb 0.90 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 31.94 2dmf h PRO 72 CO 0.33 0.31 0.19 0.72 -0.23 0.00 0.00 178.00 179.32 2dmf n HIS 73 N -3.63 0.50 -3.94 1.56 8.25 -0.89 -3.22 115.22 113.85 2dmf n HIS 73 Ca -0.01 0.58 -0.35 0.00 -0.26 0.00 0.00 57.72 57.69 2dmf n HIS 73 Cb 0.43 -0.98 -0.14 0.00 1.12 0.00 0.00 29.99 30.42 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 -4.90 2.67 0.53 -0.41 2.56 -1.25 -4.78 118.70 113.13 2dmf s GLU 74 Ca -0.05 -1.09 -0.20 0.00 0.00 0.00 0.00 54.97 53.63 2dmf s GLU 74 Cb 0.16 -3.06 -0.08 0.00 2.00 0.00 0.00 34.13 33.14 2dmf s GLU 74 CO 0.38 -0.49 0.82 1.33 -0.56 0.00 0.00 175.26 176.74 2dmf n VAL 75 N 4.65 2.80 -2.18 3.70 0.24 -1.20 -3.58 118.33 122.76 2dmf n VAL 75 Ca -0.15 -0.50 -0.42 0.00 -2.04 0.00 0.00 64.34 61.23 2dmf n VAL 75 Cb 0.46 -0.97 -0.03 0.00 -1.47 0.00 0.00 33.84 31.83 2dmf n VAL 75 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 2dmf s PRO 76 N -2.27 4.27 -0.42 7.34 0.04 -1.26 -4.74 135.00 137.95 2dmf s PRO 76 Ca 0.69 2.02 -0.32 0.00 0.04 0.00 0.00 61.00 63.43 2dmf s PRO 76 Cb -0.48 -3.59 -0.11 0.00 0.04 0.00 0.00 34.50 30.36 2dmf s PRO 76 CO 0.53 -0.61 2.29 1.04 0.04 0.00 0.00 177.00 180.28 2dmf n GLN 77 N 5.49 1.09 -3.13 4.56 6.02 -0.32 -4.56 117.38 126.52 2dmf n GLN 77 Ca 0.14 0.24 -0.39 0.00 -0.01 0.00 0.00 57.00 56.98 2dmf n GLN 77 Cb 0.43 -2.65 -0.05 0.00 1.02 0.00 0.00 30.24 28.99 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 8.49 4.89 -0.22 5.09 1.01 -1.26 -2.57 121.20 136.62 2dmf s ILE 78 Ca 1.09 1.35 -0.23 0.00 0.00 0.00 0.00 60.65 62.86 2dmf s ILE 78 Cb -0.70 -3.99 0.06 0.00 0.01 0.00 0.00 42.46 37.84 2dmf s ILE 78 CO 0.43 0.38 0.65 -0.44 0.00 0.00 0.00 174.94 175.97 2dmf s SER 79 N -0.02 -0.67 -0.15 3.58 0.01 -1.04 -5.01 113.70 110.39 2dmf s SER 79 Ca 0.33 1.25 -0.24 0.00 1.31 0.00 0.00 55.95 58.61 2dmf s SER 79 Cb -0.19 1.25 -0.02 0.00 0.21 0.00 0.00 66.02 67.27 2dmf s SER 79 CO 0.18 -0.27 0.75 -0.63 0.41 0.00 0.00 173.24 173.69 2dmf s ILE 80 N 0.18 4.95 -0.05 1.44 -1.09 -1.26 -1.50 121.20 123.87 2dmf s ILE 80 Ca -0.01 1.47 0.04 0.00 -2.23 0.00 0.00 60.65 59.92 2dmf s ILE 80 Cb -0.04 -4.06 -0.02 0.00 -1.58 0.00 0.00 42.46 36.75 2dmf s ILE 80 CO 0.02 0.10 -0.16 -0.60 -1.23 0.00 0.00 174.94 173.07 2dmf s ARG 81 N 1.79 2.52 -1.30 2.79 3.52 -1.14 -4.69 118.95 122.44 2dmf s ARG 81 Ca 0.35 -0.73 -0.06 0.00 -0.13 0.00 0.00 55.73 55.16 2dmf s ARG 81 Cb -0.17 -2.35 -0.00 0.00 -1.56 0.00 0.00 34.95 30.87 2dmf s ARG 81 CO 0.13 0.58 0.60 0.09 -0.81 0.00 0.00 175.30 175.89 2dmf n ASN 82 N 2.42 -2.02 -4.63 -2.12 5.03 -1.26 -2.99 115.26 109.69 2dmf n ASN 82 Ca -0.17 -0.97 -0.43 0.00 0.87 0.00 0.00 54.58 53.89 2dmf n ASN 82 Cb 0.52 -3.40 -0.03 0.00 -1.02 0.00 0.00 39.78 35.86 2dmf n ASN 82 CO 0.00 0.00 0.00 -2.16 -1.83 0.00 0.00 177.26 173.27 2dmf s PRO 83 N -6.23 3.83 -0.16 3.52 0.04 -1.26 -4.64 135.00 130.09 2dmf s PRO 83 Ca 0.14 1.68 -0.04 0.00 0.04 0.00 0.00 61.00 62.82 2dmf s PRO 83 Cb -0.05 -4.02 -0.03 0.00 0.04 0.00 0.00 34.50 30.44 2dmf s PRO 83 CO 0.86 -1.25 -0.02 0.50 0.04 0.00 0.00 177.00 177.13 2dmf s ARG 84 N 4.61 3.71 0.00 4.56 6.06 -1.14 -4.65 118.95 132.09 2dmf s ARG 84 Ca 0.71 -0.50 0.00 0.00 -2.50 0.00 0.00 55.73 53.44 2dmf s ARG 84 Cb -0.25 -2.98 0.00 0.00 0.06 0.00 0.00 34.95 31.78 2dmf s ARG 84 CO 0.29 0.22 0.00 0.41 -2.50 0.00 0.00 175.30 173.71 2dmf n GLY 85 N 3.62 1.46 3.70 8.12 0.00 -1.26 -3.66 105.19 117.16 2dmf n GLY 85 Ca -0.17 -0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.50 2dmf n GLY 85 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2dmf n LEU 86 N 0.00 4.87 -4.37 0.99 4.77 -1.26 -4.73 117.00 117.27 2dmf n LEU 86 Ca 0.00 0.67 -0.19 0.00 -0.03 0.00 0.00 56.01 56.46 2dmf n LEU 86 Cb 0.00 -1.52 -0.10 0.00 -2.33 0.00 0.00 43.42 39.47 2dmf n LEU 86 CO 0.00 -1.50 -0.40 -0.94 -1.33 0.00 0.00 177.39 173.22 2dmf s SER 87 N -1.85 2.53 0.26 -1.43 1.04 -1.26 -4.96 113.70 108.03 2dmf s SER 87 Ca 0.76 -1.11 0.04 0.00 0.48 0.00 0.00 55.95 56.12 2dmf s SER 87 Cb -0.32 -0.13 0.69 0.00 0.10 0.00 0.00 66.02 66.36 2dmf s SER 87 CO 0.47 -0.28 1.26 -0.90 0.98 0.00 0.00 173.24 174.77 2dmf n ASP 88 N -0.46 -0.04 0.18 7.02 5.75 -1.26 -0.58 116.55 127.16 2dmf n ASP 88 Ca -0.07 1.36 -0.08 0.00 -0.01 0.00 0.00 54.79 55.99 2dmf n ASP 88 Cb 0.62 -0.52 -0.04 0.00 -1.03 0.00 0.00 41.12 40.15 2dmf n ASP 88 CO 0.00 0.00 0.00 -0.08 -0.11 0.00 0.00 177.20 177.01 2dmf h GLU 89 N 0.00 -0.48 -0.60 0.11 4.57 -1.99 0.11 114.58 116.28 2dmf h GLU 89 Ca 0.52 0.03 0.12 0.00 -1.18 0.00 0.00 59.36 58.85 2dmf h GLU 89 Cb 1.13 0.11 -0.11 0.00 -0.16 0.00 0.00 28.75 29.72 2dmf h GLU 89 CO -0.74 -0.32 -0.14 1.96 -1.18 0.00 0.00 179.01 178.60 2dmf h GLN 90 N -0.50 0.01 0.51 1.92 4.20 -1.24 -2.18 115.11 117.83 2dmf h GLN 90 Ca -0.04 -0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.65 2dmf h GLN 90 Cb 0.40 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.16 2dmf h GLN 90 CO 0.04 0.01 -0.50 0.82 -0.67 0.00 0.00 178.83 178.52 2dmf h ILE 91 N 0.01 0.02 -0.76 2.54 2.04 -0.88 -2.23 117.51 118.25 2dmf h ILE 91 Ca 0.29 0.00 0.24 0.00 1.00 0.00 0.00 64.86 66.39 2dmf h ILE 91 Cb 0.45 0.02 -0.14 0.00 -0.74 0.00 0.00 36.82 36.41 2dmf h ILE 91 CO -0.61 0.00 0.12 1.57 0.00 0.00 0.00 178.15 179.23 2dmf n HIS 92 N -5.57 0.59 0.05 1.37 -0.00 0.36 0.97 115.22 113.00 2dmf n HIS 92 Ca -0.12 0.91 -0.13 0.00 0.46 0.00 0.00 57.72 58.84 2dmf n HIS 92 Cb 0.46 -1.14 -0.09 0.00 -0.12 0.00 0.00 29.99 29.11 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 1.09 -0.41 3.57 2.02 -1.22 -2.45 112.91 115.50 2dmf h THR 93 Ca 0.51 -0.78 0.08 0.00 0.77 0.00 0.00 66.41 67.00 2dmf h THR 93 Cb 1.15 1.58 -0.09 0.00 -1.74 0.00 0.00 68.15 69.05 2dmf h THR 93 CO -0.68 0.19 -0.28 0.40 0.37 0.00 0.00 175.52 175.52 2dmf h ILE 94 N -0.50 0.29 0.40 3.11 2.04 0.12 -0.38 117.51 122.59 2dmf h ILE 94 Ca -0.01 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.83 2dmf h ILE 94 Cb 0.41 0.29 -0.01 0.00 -0.74 0.00 0.00 36.82 36.77 2dmf h ILE 94 CO 0.02 0.00 -0.33 -0.07 0.00 0.00 0.00 178.15 177.77 2dmf h LEU 95 N -0.20 -0.89 -0.92 1.44 3.38 -1.23 0.19 115.31 117.08 2dmf h LEU 95 Ca 0.19 0.06 0.23 0.00 0.09 0.00 0.00 57.88 58.45 2dmf h LEU 95 Cb 0.50 0.28 -0.17 0.00 0.09 0.00 0.00 40.66 41.37 2dmf h LEU 95 CO -0.53 -0.46 -0.01 1.56 0.09 0.00 0.00 178.44 179.10 2dmf h GLN 96 N -0.71 0.04 0.00 1.13 1.08 -1.14 0.21 115.11 115.72 2dmf h GLN 96 Ca -0.05 -0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.15 2dmf h GLN 96 Cb 0.60 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 28.02 2dmf h GLN 96 CO -0.00 0.03 0.00 0.28 -0.95 0.00 0.00 178.83 178.18 2dmf n VAL 97 N -5.46 0.00 -0.29 -0.54 0.31 -0.18 -1.60 118.33 110.57 2dmf n VAL 97 Ca 0.20 1.04 0.13 0.00 -0.01 0.00 0.00 64.34 65.69 2dmf n VAL 97 Cb 0.64 -1.95 0.26 0.00 -0.91 0.00 0.00 33.84 31.89 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 -1.60 -0.08 -0.21 7.52 4.77 0.64 0.16 117.00 128.20 2dmf n LEU 98 Ca 0.00 1.43 -0.08 0.00 -0.03 0.00 0.00 56.01 57.33 2dmf n LEU 98 Cb 0.00 -0.53 0.03 0.00 -2.33 0.00 0.00 43.42 40.59 2dmf n LEU 98 CO 0.00 -1.46 0.96 1.23 -1.33 0.00 0.00 177.39 176.80 2dmf h GLY 99 N 0.00 0.97 0.24 -0.72 0.00 -0.64 -2.98 103.07 99.94 2dmf h GLY 99 Ca 0.52 -0.55 0.09 0.00 0.00 0.00 0.00 47.33 47.38 2dmf h GLY 99 CO -0.78 0.52 -0.00 0.84 0.00 0.00 0.00 176.54 177.11 2dmf h HIS 100 N 0.83 -0.03 -0.94 5.60 -0.00 0.26 -0.29 115.15 120.58 2dmf h HIS 100 Ca 0.19 0.03 0.07 0.00 -0.00 0.00 0.00 60.37 60.67 2dmf h HIS 100 Cb 0.25 0.09 -0.06 0.00 -0.00 0.00 0.00 27.41 27.68 2dmf h HIS 100 CO 0.01 -0.10 0.61 0.28 -0.00 0.00 0.00 177.93 178.73 2dmf h VAL 101 N 0.11 1.07 0.68 5.26 2.07 -1.31 -0.53 116.25 123.60 2dmf h VAL 101 Ca 0.23 -0.37 -0.03 0.00 0.82 0.00 0.00 66.70 67.35 2dmf h VAL 101 Cb 0.34 -0.09 0.01 0.00 -1.52 0.00 0.00 31.29 30.02 2dmf h VAL 101 CO -0.39 0.19 -0.33 0.00 0.02 0.00 0.00 177.57 177.07 2dmf h ALA 102 N 1.50 -0.91 -0.97 1.67 0.00 -0.98 -1.82 119.26 117.73 2dmf h ALA 102 Ca 0.41 -0.21 0.19 0.00 0.00 0.00 0.00 54.91 55.30 2dmf h ALA 102 Cb 0.20 0.35 -0.09 0.00 0.00 0.00 0.00 17.79 18.26 2dmf h ALA 102 CO -0.16 -0.86 0.61 0.87 0.00 0.00 0.00 179.25 179.71 2dmf h LYS 103 N -1.22 0.65 0.00 0.00 1.57 -0.96 0.67 116.57 117.28 2dmf h LYS 103 Ca -0.09 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.65 2dmf h LYS 103 Cb 0.71 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.88 2dmf h LYS 103 CO 0.15 0.43 0.00 0.00 -0.57 0.00 0.00 179.45 179.47 2dmf h ALA 104 N 1.62 1.00 -0.90 3.86 0.00 -1.05 -3.16 119.26 120.63 2dmf h ALA 104 Ca 0.54 0.00 -0.58 0.00 0.00 0.00 0.00 54.91 54.87 2dmf h ALA 104 Cb 0.95 0.00 -0.41 0.00 0.00 0.00 0.00 17.79 18.33 2dmf h ALA 104 CO -0.30 0.00 -0.54 0.41 0.00 0.00 0.00 179.25 178.82 2dmf n GLY 105 N 0.38 6.26 3.79 0.00 0.00 0.23 -5.06 105.19 110.79 2dmf n GLY 105 Ca 0.02 -2.63 -0.33 0.00 0.00 0.00 0.00 46.02 43.08 2dmf n GLY 105 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2dmf s LEU 106 N -3.63 3.58 0.00 0.99 1.43 -1.00 -3.45 118.68 116.60 2dmf s LEU 106 Ca 0.52 1.91 0.00 0.00 -1.03 0.00 0.00 54.13 55.53 2dmf s LEU 106 Cb 0.42 -4.55 0.00 0.00 0.03 0.00 0.00 46.19 42.10 2dmf s LEU 106 CO -0.01 -1.16 0.00 0.61 0.23 0.00 0.00 176.35 176.02 2dmf n GLY 107 N -0.63 2.03 3.72 -3.19 0.00 -1.26 -4.94 105.19 100.92 2dmf n GLY 107 Ca 0.09 -0.07 -0.24 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.35 2.54 0.21 2.61 -4.23 -1.22 -4.71 115.64 110.50 2dmf s THR 108 Ca 0.00 -1.74 -0.32 0.00 -1.18 0.00 0.00 61.69 58.45 2dmf s THR 108 Cb 0.00 -2.96 -0.14 0.00 1.34 0.00 0.00 72.50 70.74 2dmf s THR 108 CO 0.00 -0.08 1.35 0.00 -0.54 0.00 0.00 174.62 175.34 2dmf n ALA 109 N -1.17 0.55 0.00 3.99 0.00 -1.26 -4.87 120.51 117.75 2dmf n ALA 109 Ca -0.02 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.85 2dmf n ALA 109 Cb 0.63 -2.20 0.00 0.00 0.00 0.00 0.00 19.45 17.88 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 2.04 0.00 -0.08 0.00 3.85 -1.26 -4.84 117.12 116.82 2dmf n MET 110 Ca 0.13 0.00 -0.02 0.00 -1.00 0.00 0.00 57.70 56.81 2dmf n MET 110 Cb 0.29 -0.67 -0.02 0.00 -1.05 0.00 0.00 33.22 31.77 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 -1.91 -0.21 -0.33 3.17 4.77 -1.26 0.28 117.00 121.52 2dmf n LEU 111 Ca 0.00 0.80 -0.05 0.00 -0.03 0.00 0.00 56.01 56.73 2dmf n LEU 111 Cb 0.19 -0.27 -0.01 0.00 -2.33 0.00 0.00 43.42 41.00 2dmf n LEU 111 CO 0.00 -0.51 0.57 0.22 -1.33 0.00 0.00 177.39 176.34 2dmf h TYR 112 N 0.00 -1.26 0.65 -1.77 3.20 -1.99 -1.22 116.97 114.58 2dmf h TYR 112 Ca 0.03 0.10 -0.02 0.00 3.14 0.00 0.00 58.73 61.98 2dmf h TYR 112 Cb 0.08 0.67 -0.01 0.00 1.54 0.00 0.00 36.73 39.01 2dmf h TYR 112 CO -0.62 -0.40 -0.47 0.93 -1.64 0.00 0.00 178.16 175.95 2dmf h GLU 113 N -0.07 -1.04 -0.80 1.82 4.39 -0.50 -2.59 114.58 115.78 2dmf h GLU 113 Ca 0.26 0.07 0.22 0.00 0.34 0.00 0.00 59.36 60.26 2dmf h GLU 113 Cb 0.55 0.24 -0.15 0.00 -0.10 0.00 0.00 28.75 29.29 2dmf h GLU 113 CO -0.87 -0.69 0.03 1.28 -1.16 0.00 0.00 179.01 177.59 2dmf n LEU 114 N -5.58 -0.08 0.44 1.33 4.77 1.00 0.21 117.00 119.08 2dmf n LEU 114 Ca -0.13 1.36 -0.19 0.00 -0.03 0.00 0.00 56.01 57.01 2dmf n LEU 114 Cb 0.47 -0.50 -0.09 0.00 -2.33 0.00 0.00 43.42 40.97 2dmf n LEU 114 CO 0.32 -1.38 0.60 0.40 -1.33 0.00 0.00 177.39 175.99 2dmf h ILE 115 N 0.00 0.19 -0.78 -0.08 2.04 -0.99 -2.38 117.51 115.52 2dmf h ILE 115 Ca 0.49 -0.01 0.10 0.00 1.00 0.00 0.00 64.86 66.44 2dmf h ILE 115 Cb 1.03 0.19 -0.12 0.00 -0.74 0.00 0.00 36.82 37.17 2dmf h ILE 115 CO -0.75 0.00 -0.46 -0.33 0.00 0.00 0.00 178.15 176.61 2dmf h GLU 116 N -1.11 -0.12 -0.23 2.37 4.39 0.02 -0.20 114.58 119.70 2dmf h GLU 116 Ca -0.11 0.01 0.06 0.00 0.34 0.00 0.00 59.36 59.65 2dmf h GLU 116 Cb 0.85 0.03 -0.07 0.00 -0.10 0.00 0.00 28.75 29.45 2dmf h GLU 116 CO 0.19 -0.08 -0.31 -0.22 -1.16 0.00 0.00 179.01 177.42 2dmf h LYS 117 N -0.12 -0.32 -1.18 2.33 1.63 -1.33 0.69 116.57 118.27 2dmf h LYS 117 Ca 0.22 0.02 0.34 0.00 -0.85 0.00 0.00 60.65 60.38 2dmf h LYS 117 Cb 0.54 0.07 -0.05 0.00 -0.60 0.00 0.00 32.23 32.19 2dmf h LYS 117 CO -0.82 -0.21 0.84 0.78 -3.45 0.00 0.00 179.45 176.59 2dmf h GLY 118 N -0.33 0.11 1.18 5.01 0.00 -0.51 0.42 103.07 108.96 2dmf h GLY 118 Ca 0.12 -0.02 -0.09 0.00 0.00 0.00 0.00 47.33 47.35 2dmf h GLY 118 CO -0.42 -0.02 -0.01 0.50 0.00 0.00 0.00 176.54 176.60 2dmf h LYS 119 N 0.03 0.98 0.05 4.80 1.57 -0.19 -2.57 116.57 121.24 2dmf h LYS 119 Ca 0.57 -0.30 -0.25 0.00 -1.87 0.00 0.00 60.65 58.79 2dmf h LYS 119 Cb 2.21 -0.09 0.02 0.00 0.08 0.00 0.00 32.23 34.44 2dmf h LYS 119 CO -0.03 0.97 -1.02 1.05 -0.57 0.00 0.00 179.45 179.85 2dmf h GLU 120 N 0.90 0.61 -0.66 3.15 4.11 -0.11 -2.14 114.58 120.44 2dmf h GLU 120 Ca 0.16 -0.72 0.10 0.00 0.07 0.00 0.00 59.36 58.97 2dmf h GLU 120 Cb 0.54 0.22 -0.07 0.00 0.50 0.00 0.00 28.75 29.93 2dmf h GLU 120 CO 0.03 1.30 0.28 0.82 0.07 0.00 0.00 179.01 181.51 2dmf h ILE 121 N 0.23 0.79 -0.03 -1.06 2.04 -1.15 -1.46 117.51 116.86 2dmf h ILE 121 Ca -0.14 -0.17 -0.10 0.00 1.00 0.00 0.00 64.86 65.46 2dmf h ILE 121 Cb 1.70 0.26 0.01 0.00 -0.74 0.00 0.00 36.82 38.04 2dmf h ILE 121 CO 0.20 0.09 -0.35 0.25 0.00 0.00 0.00 178.15 178.33 2dmf h LEU 122 N 0.48 0.37 -1.93 1.44 5.85 -1.53 -2.80 115.31 117.20 2dmf h LEU 122 Ca 0.33 -0.71 0.20 0.00 0.84 0.00 0.00 57.88 58.55 2dmf h LEU 122 Cb 0.40 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.29 2dmf h LEU 122 CO -0.30 1.02 0.60 0.74 -0.34 0.00 0.00 178.44 180.16 2dmf h THR 123 N -0.25 0.44 0.00 1.05 2.02 -0.98 0.63 112.91 115.82 2dmf h THR 123 Ca -0.03 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.11 2dmf h THR 123 Cb 1.05 0.55 -0.00 0.00 -1.74 0.00 0.00 68.15 68.00 2dmf h THR 123 CO 0.07 0.00 -0.22 -0.78 0.37 0.00 0.00 175.52 174.96 2dmf h ASP 124 N 0.00 0.00 -0.62 4.18 1.82 -1.25 -3.35 116.42 117.19 2dmf h ASP 124 Ca 0.33 -0.51 -0.35 0.00 -0.39 0.00 0.00 57.03 56.11 2dmf h ASP 124 Cb 1.53 0.00 -0.19 0.00 0.68 0.00 0.00 39.33 41.35 2dmf h ASP 124 CO -0.00 0.88 0.45 -0.46 -1.61 0.00 0.00 179.24 178.49 2dmf n ASN 125 N -4.64 4.41 0.00 2.28 6.94 -0.68 -4.45 115.26 119.12 2dmf n ASN 125 Ca -0.09 -3.08 0.02 0.00 -0.02 0.00 0.00 54.58 51.40 2dmf n ASN 125 Cb 0.33 -0.80 0.35 0.00 -2.36 0.00 0.00 39.78 37.30 2dmf n ASN 125 CO 0.00 0.00 0.00 -1.13 -1.03 0.00 0.00 177.26 175.10 2dmf h ASN 126 N 0.90 0.48 -2.81 0.53 -1.24 0.10 -3.42 115.58 110.12 2dmf h ASN 126 Ca 0.39 -0.05 -0.54 0.00 0.71 0.00 0.00 56.30 56.81 2dmf h ASN 126 Cb 1.81 -0.12 0.01 0.00 0.73 0.00 0.00 38.32 40.75 2dmf h ASN 126 CO 0.78 0.46 0.90 -0.63 -1.29 0.00 0.00 177.43 177.65 2dmf s ILE 127 N -5.20 3.29 1.00 2.57 1.01 -1.26 -4.95 121.20 117.66 2dmf s ILE 127 Ca -0.08 0.76 -0.17 0.00 0.00 0.00 0.00 60.65 61.17 2dmf s ILE 127 Cb 0.16 -3.49 0.25 0.00 0.01 0.00 0.00 42.46 39.39 2dmf s ILE 127 CO 0.75 0.01 0.89 -0.81 0.00 0.00 0.00 174.94 175.78 2dmf n PRO 128 N 5.22 -2.76 -0.01 2.79 -0.04 -1.26 -5.06 135.00 133.87 2dmf n PRO 128 Ca 0.14 -1.43 -0.03 0.00 -0.04 0.00 0.00 63.50 62.14 2dmf n PRO 128 Cb 0.42 -1.34 -0.01 0.00 -0.04 0.00 0.00 33.50 32.53 2dmf n PRO 128 CO 0.00 0.00 0.00 1.58 -0.04 0.00 0.00 175.50 177.04 2dmf n HIS 129 N -4.43 0.00 0.00 0.54 -0.00 -1.26 -5.14 115.22 104.93 2dmf n HIS 129 Ca 0.12 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.30 2dmf n HIS 129 Cb 0.48 -0.19 0.00 0.00 -0.12 0.00 0.00 29.99 30.16 2dmf n HIS 129 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2dmf n GLY 130 N 2.51 0.75 3.73 1.57 0.00 -1.26 -5.07 105.19 107.42 2dmf n GLY 130 Ca -0.05 -0.82 -0.40 0.00 0.00 0.00 0.00 46.02 44.74 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 -0.31 4.51 -0.28 1.61 -0.44 -1.26 -5.04 119.66 118.45 2dmf s GLN 131 Ca 0.00 1.13 -0.17 0.00 -2.50 0.00 0.00 55.36 53.82 2dmf s GLN 131 Cb 0.00 -3.41 0.08 0.00 -1.64 0.00 0.00 33.01 28.04 2dmf s GLN 131 CO 0.00 0.13 0.71 -1.12 0.50 0.00 0.00 175.29 175.51 2dmf s SER 132 N 0.45 -0.91 0.00 6.67 0.01 -1.26 -5.13 113.70 113.53 2dmf s SER 132 Ca 0.42 1.48 0.00 0.00 1.31 0.00 0.00 55.95 59.16 2dmf s SER 132 Cb -0.20 1.39 0.00 0.00 0.21 0.00 0.00 66.02 67.42 2dmf s SER 132 CO 0.23 -0.24 0.00 0.61 0.41 0.00 0.00 173.24 174.26 2dmf n GLY 133 N 4.09 1.91 3.55 3.44 0.00 -1.26 -4.94 105.19 111.99 2dmf n GLY 133 Ca -0.19 -1.31 -0.34 0.00 0.00 0.00 0.00 46.02 44.17 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 -4.52 2.60 -0.06 1.61 0.04 -1.26 -4.97 135.00 128.44 2dmf s PRO 134 Ca 0.00 0.29 -0.03 0.00 0.04 0.00 0.00 61.00 61.30 2dmf s PRO 134 Cb 0.00 -4.63 -0.04 0.00 0.04 0.00 0.00 34.50 29.87 2dmf s PRO 134 CO 0.00 -2.96 0.11 -1.12 0.04 0.00 0.00 177.00 173.06 2dmf s SER 135 N 8.09 5.98 0.47 6.66 0.01 -1.26 -5.12 113.70 128.53 2dmf s SER 135 Ca 0.68 0.29 0.08 0.00 1.31 0.00 0.00 55.95 58.32 2dmf s SER 135 Cb -0.10 -1.82 0.02 0.00 0.21 0.00 0.00 66.02 64.33 2dmf s SER 135 CO 0.13 0.34 0.57 -0.94 0.41 0.00 0.00 173.24 173.75 2dmf s SER 136 N -1.39 5.31 0.00 2.44 1.04 -1.26 -5.25 113.70 114.59 2dmf s SER 136 Ca 0.19 -0.66 0.00 0.00 0.48 0.00 0.00 55.95 55.97 2dmf s SER 136 Cb -0.12 -0.32 0.00 0.00 0.10 0.00 0.00 66.02 65.68 2dmf s SER 136 CO 0.10 -0.91 0.16 0.61 0.98 0.00 0.00 173.24 174.17