#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dmf h SER 2 N 0.00 0.35 -6.38 1.61 0.87 -1.94 -3.47 113.55 104.59 2dmf h SER 2 Ca 0.00 0.01 -0.49 0.00 -1.23 0.00 0.00 61.79 60.08 2dmf h SER 2 Cb 0.00 -0.06 -0.07 0.00 -0.44 0.00 0.00 62.40 61.83 2dmf h SER 2 CO 0.00 0.25 -0.78 -1.20 -0.53 0.00 0.00 176.83 174.58 2dmf n SER 3 N -4.88 -4.30 -1.36 6.23 7.64 -1.26 -1.17 113.62 114.53 2dmf n SER 3 Ca 0.01 -0.83 0.00 0.00 1.01 0.00 0.00 58.87 59.06 2dmf n SER 3 Cb 0.07 -3.66 0.00 0.00 -1.01 0.00 0.00 64.21 59.61 2dmf n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dmf n GLY 4 N -1.64 0.36 4.21 0.23 0.00 -1.26 -4.09 105.19 102.99 2dmf n GLY 4 Ca 0.03 -0.29 -0.36 0.00 0.00 0.00 0.00 46.02 45.39 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 -1.13 -1.18 -4.51 1.61 7.64 -1.21 -4.79 113.62 110.05 2dmf n SER 5 Ca 0.00 -1.12 -0.42 0.00 1.01 0.00 0.00 58.87 58.34 2dmf n SER 5 Cb 0.45 -1.43 -0.03 0.00 -1.01 0.00 0.00 64.21 62.19 2dmf n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2dmf s SER 6 N -3.24 6.35 0.00 6.43 0.01 -0.31 -4.83 113.70 118.10 2dmf s SER 6 Ca 0.61 -1.17 0.00 0.00 1.31 0.00 0.00 55.95 56.71 2dmf s SER 6 Cb -0.36 -2.50 0.00 0.00 0.21 0.00 0.00 66.02 63.38 2dmf s SER 6 CO 0.92 -1.50 0.00 0.61 0.41 0.00 0.00 173.24 173.67 2dmf n GLY 7 N 5.81 3.89 3.41 3.44 0.00 -1.26 -4.91 105.19 115.58 2dmf n GLY 7 Ca 0.14 -0.31 -0.20 0.00 0.00 0.00 0.00 46.02 45.65 2dmf n GLY 7 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2dmf s GLU 8 N 3.78 1.55 -0.64 1.61 2.56 -1.26 -5.05 118.70 121.25 2dmf s GLU 8 Ca 0.00 -1.83 -0.01 0.00 0.00 0.00 0.00 54.97 53.13 2dmf s GLU 8 Cb 0.00 -0.83 0.44 0.00 2.00 0.00 0.00 34.13 35.74 2dmf s GLU 8 CO 0.00 -0.14 1.90 0.39 -0.56 0.00 0.00 175.26 176.85 2dmf n GLU 9 N -0.60 2.85 -1.86 4.30 1.02 -1.26 -4.60 120.64 120.49 2dmf n GLU 9 Ca -0.03 -3.48 -0.29 0.00 -0.02 0.00 0.00 57.16 53.34 2dmf n GLU 9 Cb 0.65 -2.28 0.04 0.00 -0.02 0.00 0.00 31.44 29.83 2dmf n GLU 9 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2dmf n ASP 10 N -0.83 5.90 -3.82 1.62 9.92 -1.26 -4.95 116.55 123.14 2dmf n ASP 10 Ca 0.58 -3.76 -0.26 0.00 -0.53 0.00 0.00 54.79 50.82 2dmf n ASP 10 Cb 0.64 -0.59 -0.17 0.00 -0.64 0.00 0.00 41.12 40.36 2dmf n ASP 10 CO 0.00 0.00 0.00 0.86 0.13 0.00 0.00 177.20 178.19 2dmf s TRP 11 N -3.69 1.11 -0.19 1.24 -0.00 -1.26 -5.00 118.94 111.15 2dmf s TRP 11 Ca 0.55 -0.59 0.16 0.00 -0.00 0.00 0.00 56.10 56.23 2dmf s TRP 11 Cb 0.44 -1.03 0.06 0.00 -0.00 0.00 0.00 33.47 32.94 2dmf s TRP 11 CO -0.03 -0.47 1.36 -0.39 -0.00 0.00 0.00 176.95 177.41 2dmf h VAL 12 N 6.33 0.68 -0.59 5.86 -1.51 -1.92 -3.32 116.25 121.79 2dmf h VAL 12 Ca -0.22 -2.01 0.12 0.00 -1.23 0.00 0.00 66.70 63.36 2dmf h VAL 12 Cb 1.12 2.29 -0.11 0.00 -2.13 0.00 0.00 31.29 32.46 2dmf h VAL 12 CO 0.33 0.39 -0.18 0.25 -1.23 0.00 0.00 177.57 177.13 2dmf h LEU 13 N 0.00 -0.66 -0.28 4.19 7.12 -1.94 0.17 115.31 123.91 2dmf h LEU 13 Ca -0.03 0.19 -0.11 0.00 0.13 0.00 0.00 57.88 58.06 2dmf h LEU 13 Cb 1.36 0.40 -0.00 0.00 -0.53 0.00 0.00 40.66 41.89 2dmf h LEU 13 CO 0.05 -0.22 -0.27 1.55 -0.13 0.00 0.00 178.44 179.42 2dmf h PRO 14 N -0.04 0.68 0.00 5.25 0.13 -2.01 -2.70 132.00 133.32 2dmf h PRO 14 Ca 0.28 -0.36 -0.00 0.00 -0.87 0.00 0.00 66.00 65.05 2dmf h PRO 14 Cb 0.46 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 31.61 2dmf h PRO 14 CO -0.62 0.97 -0.00 1.03 -0.23 0.00 0.00 178.00 179.14 2dmf h SER 15 N 0.42 0.00 0.32 1.44 0.87 -1.42 -1.55 113.55 113.63 2dmf h SER 15 Ca 0.05 0.00 -0.33 0.00 -1.23 0.00 0.00 61.79 60.28 2dmf h SER 15 Cb 0.84 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.79 2dmf h SER 15 CO 0.07 0.00 -1.69 -0.08 -0.53 0.00 0.00 176.83 174.60 2dmf h GLU 16 N 0.00 0.28 -0.24 2.24 4.22 -0.82 -3.35 114.58 116.91 2dmf h GLU 16 Ca -0.00 -0.48 -0.00 0.00 0.08 0.00 0.00 59.36 58.96 2dmf h GLU 16 Cb 0.01 0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 2dmf h GLU 16 CO 0.00 1.14 0.14 0.28 -2.18 0.00 0.00 179.01 178.39 2dmf h VAL 17 N 0.08 1.11 -0.99 0.32 2.07 -0.97 -1.79 116.25 116.07 2dmf h VAL 17 Ca -0.31 -0.28 0.19 0.00 0.82 0.00 0.00 66.70 67.12 2dmf h VAL 17 Cb 2.05 0.85 -0.11 0.00 -1.52 0.00 0.00 31.29 32.56 2dmf h VAL 17 CO 0.15 0.11 0.59 1.05 0.02 0.00 0.00 177.57 179.48 2dmf h GLU 18 N 0.29 0.71 -0.23 1.57 4.11 -1.60 0.12 114.58 119.55 2dmf h GLU 18 Ca 0.09 -0.04 -0.12 0.00 0.07 0.00 0.00 59.36 59.35 2dmf h GLU 18 Cb 0.05 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.14 2dmf h GLU 18 CO -0.01 0.47 -0.33 0.28 0.07 0.00 0.00 179.01 179.49 2dmf h VAL 19 N 0.74 1.32 0.85 -1.06 2.07 -1.59 -3.21 116.25 115.36 2dmf h VAL 19 Ca 0.57 -1.52 -0.04 0.00 0.82 0.00 0.00 66.70 66.53 2dmf h VAL 19 Cb 0.90 1.75 0.01 0.00 -1.52 0.00 0.00 31.29 32.42 2dmf h VAL 19 CO -0.39 0.48 -0.41 -0.07 0.02 0.00 0.00 177.57 177.20 2dmf h LEU 20 N 0.33 -0.97 -1.65 2.57 3.38 -0.26 -2.59 115.31 116.12 2dmf h LEU 20 Ca 0.02 0.03 0.49 0.00 0.09 0.00 0.00 57.88 58.51 2dmf h LEU 20 Cb 0.91 0.25 -0.11 0.00 0.09 0.00 0.00 40.66 41.80 2dmf h LEU 20 CO 0.08 -0.65 1.07 -0.33 0.09 0.00 0.00 178.44 178.70 2dmf h GLU 21 N -1.22 0.03 -0.18 1.13 4.39 -0.93 1.92 114.58 119.71 2dmf h GLU 21 Ca -0.12 -0.00 -0.19 0.00 0.34 0.00 0.00 59.36 59.40 2dmf h GLU 21 Cb 0.88 -0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 29.53 2dmf h GLU 21 CO 0.19 0.02 -0.64 0.77 -1.16 0.00 0.00 179.01 178.19 2dmf h SER 22 N 0.03 0.76 0.00 1.42 0.02 -1.47 -1.39 113.55 112.92 2dmf h SER 22 Ca 0.87 -0.44 -0.02 0.00 -0.84 0.00 0.00 61.79 61.36 2dmf h SER 22 Cb 3.08 -0.22 -0.00 0.00 0.14 0.00 0.00 62.40 65.39 2dmf h SER 22 CO -0.26 1.20 -0.48 0.40 -1.14 0.00 0.00 176.83 176.55 2dmf h ILE 23 N 0.49 0.11 -1.33 3.27 2.04 0.28 -3.39 117.51 118.98 2dmf h ILE 23 Ca -0.01 -1.12 -0.65 0.00 1.00 0.00 0.00 64.86 64.08 2dmf h ILE 23 Cb 1.22 0.24 -0.25 0.00 -0.74 0.00 0.00 36.82 37.29 2dmf h ILE 23 CO 0.13 0.04 0.84 -1.22 0.00 0.00 0.00 178.15 177.93 2dmf n TYR 24 N -4.63 2.74 -0.33 1.37 4.01 0.28 -4.75 117.16 115.86 2dmf n TYR 24 Ca -0.08 -2.51 0.06 0.00 -0.16 0.00 0.00 57.90 55.21 2dmf n TYR 24 Cb 0.26 -1.29 0.14 0.00 -0.31 0.00 0.00 39.34 38.14 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 2.68 -0.82 0.00 7.72 -0.00 -1.33 -1.51 115.31 122.05 2dmf h LEU 25 Ca 0.53 0.28 -0.27 0.00 -0.00 0.00 0.00 57.88 58.42 2dmf h LEU 25 Cb 0.51 0.56 -0.04 0.00 -0.00 0.00 0.00 40.66 41.69 2dmf h LEU 25 CO 1.35 -0.31 -1.85 -0.67 -0.00 0.00 0.00 178.44 176.97 2dmf n ASP 26 N -5.58 1.64 -0.56 0.17 -0.08 -1.26 -4.47 116.55 106.41 2dmf n ASP 26 Ca 0.15 0.28 0.43 0.00 -1.51 0.00 0.00 54.79 54.14 2dmf n ASP 26 Cb 0.49 -0.66 0.66 0.00 2.34 0.00 0.00 41.12 43.95 2dmf n ASP 26 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 2dmf n GLU 27 N -4.08 0.00 -4.11 -0.67 1.02 -1.22 -4.26 120.64 107.33 2dmf n GLU 27 Ca -0.35 0.91 -0.12 0.00 -0.02 0.00 0.00 57.16 57.58 2dmf n GLU 27 Cb 0.70 -2.11 -0.11 0.00 -0.02 0.00 0.00 31.44 29.91 2dmf n GLU 27 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 2dmf s LEU 28 N -7.09 2.36 0.13 -4.62 0.20 -0.57 -3.33 118.68 105.76 2dmf s LEU 28 Ca -0.04 -0.74 0.08 0.00 0.69 0.00 0.00 54.13 54.12 2dmf s LEU 28 Cb 0.21 -0.13 -0.04 0.00 -0.43 0.00 0.00 46.19 45.81 2dmf s LEU 28 CO 0.72 -0.31 -0.19 -1.10 -0.29 0.00 0.00 176.35 175.17 2dmf s GLN 29 N -2.50 1.16 0.00 1.98 -1.52 -0.30 -4.58 119.66 113.90 2dmf s GLN 29 Ca -0.01 -1.25 0.02 0.00 -1.95 0.00 0.00 55.36 52.16 2dmf s GLN 29 Cb -0.04 -1.31 -0.01 0.00 -0.22 0.00 0.00 33.01 31.43 2dmf s GLN 29 CO -0.02 0.29 -0.06 0.08 -0.25 0.00 0.00 175.29 175.33 2dmf s VAL 30 N -1.57 0.45 -0.11 1.09 1.01 -1.26 -1.41 120.40 118.59 2dmf s VAL 30 Ca 0.10 -0.37 -0.01 0.00 0.00 0.00 0.00 61.98 61.70 2dmf s VAL 30 Cb -0.08 -0.41 0.03 0.00 0.00 0.00 0.00 36.38 35.92 2dmf s VAL 30 CO 0.05 0.05 -0.04 -0.63 0.00 0.00 0.00 175.10 174.52 2dmf s ILE 31 N -0.32 0.83 1.12 2.22 -1.09 -0.24 -5.01 121.20 118.71 2dmf s ILE 31 Ca 0.00 -0.24 -0.13 0.00 -2.23 0.00 0.00 60.65 58.06 2dmf s ILE 31 Cb -0.03 -0.93 0.24 0.00 -1.58 0.00 0.00 42.46 40.15 2dmf s ILE 31 CO -0.00 0.27 0.95 0.29 -1.23 0.00 0.00 174.94 175.22 2dmf n LYS 32 N 5.00 -1.94 -4.45 2.79 4.76 -1.26 -2.33 118.16 120.72 2dmf n LYS 32 Ca -0.11 -0.53 -0.22 0.00 -2.87 0.00 0.00 58.31 54.59 2dmf n LYS 32 Cb 0.50 -2.17 -0.11 0.00 -1.84 0.00 0.00 35.03 31.41 2dmf n LYS 32 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 2dmf s GLY 33 N -2.39 2.07 0.03 0.72 0.00 -1.26 -4.72 107.32 101.77 2dmf s GLY 33 Ca 0.67 -2.06 -0.13 0.00 0.00 0.00 0.00 44.72 43.20 2dmf s GLY 33 CO 0.64 -1.82 0.28 0.54 0.00 0.00 0.00 173.10 172.74 2dmf s ASN 34 N -3.49 -0.10 0.00 1.64 2.20 -1.26 -4.89 114.94 109.04 2dmf s ASN 34 Ca 0.36 -0.17 0.00 0.00 -0.94 0.00 0.00 52.86 52.11 2dmf s ASN 34 Cb 0.09 0.33 0.00 0.00 -2.00 0.00 0.00 41.25 39.67 2dmf s ASN 34 CO 0.15 -0.57 0.00 0.61 -2.94 0.00 0.00 177.10 174.36 2dmf n GLY 35 N 0.75 -1.45 0.44 0.45 0.00 -1.26 -3.48 105.19 100.64 2dmf n GLY 35 Ca -0.19 -2.14 -0.17 0.00 0.00 0.00 0.00 46.02 43.52 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 2.48 -0.85 0.03 1.61 2.47 -2.03 -3.04 114.38 115.05 2dmf h ARG 36 Ca 0.00 0.06 -0.22 0.00 -1.26 0.00 0.00 59.98 58.56 2dmf h ARG 36 Cb 0.00 0.19 -0.02 0.00 -1.65 0.00 0.00 29.97 28.50 2dmf h ARG 36 CO 0.00 -0.57 -1.01 0.00 0.56 0.00 0.00 179.97 178.95 2dmf h THR 37 N -0.89 1.60 -6.76 2.04 1.03 -2.02 -3.48 112.91 104.44 2dmf h THR 37 Ca -0.04 -3.07 -0.40 0.00 -0.01 0.00 0.00 66.41 62.88 2dmf h THR 37 Cb 0.78 2.74 -0.07 0.00 -1.07 0.00 0.00 68.15 70.53 2dmf h THR 37 CO -0.05 0.89 -0.65 -1.54 -0.01 0.00 0.00 175.52 174.15 2dmf n SER 38 N -3.50 -1.03 -4.74 0.00 3.41 -1.15 -3.85 113.62 102.77 2dmf n SER 38 Ca -0.03 -0.85 -0.41 0.00 -0.26 0.00 0.00 58.87 57.32 2dmf n SER 38 Cb 0.91 -1.03 -0.03 0.00 -0.26 0.00 0.00 64.21 63.80 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 -6.26 4.40 0.03 4.33 0.04 -1.26 -4.43 135.00 131.86 2dmf s PRO 39 Ca 0.16 2.05 -0.19 0.00 0.04 0.00 0.00 61.00 63.05 2dmf s PRO 39 Cb -0.09 -3.19 -0.06 0.00 0.04 0.00 0.00 34.50 31.20 2dmf s PRO 39 CO 0.65 -0.22 0.57 -1.58 0.04 0.00 0.00 177.00 176.46 2dmf s TRP 40 N -0.07 3.74 -0.24 0.56 0.52 0.28 -4.29 118.94 119.44 2dmf s TRP 40 Ca 0.55 1.21 -0.04 0.00 0.02 0.00 0.00 56.10 57.84 2dmf s TRP 40 Cb -0.36 -2.53 0.00 0.00 -1.15 0.00 0.00 33.47 29.43 2dmf s TRP 40 CO 0.40 0.48 -0.01 -2.00 0.02 0.00 0.00 176.95 175.84 2dmf s GLU 41 N -0.68 3.24 -0.03 4.98 2.12 -0.98 -0.41 118.70 126.93 2dmf s GLU 41 Ca 0.29 -0.73 0.07 0.00 0.36 0.00 0.00 54.97 54.97 2dmf s GLU 41 Cb -0.19 -3.10 -0.02 0.00 0.26 0.00 0.00 34.13 31.08 2dmf s GLU 41 CO 0.18 -0.29 -0.25 0.42 -0.54 0.00 0.00 175.26 174.78 2dmf s ILE 42 N 1.46 1.99 0.28 -3.70 1.01 -0.44 -1.08 121.20 120.73 2dmf s ILE 42 Ca 0.04 -1.07 0.07 0.00 0.00 0.00 0.00 60.65 59.70 2dmf s ILE 42 Cb -0.15 -1.66 -0.06 0.00 0.01 0.00 0.00 42.46 40.60 2dmf s ILE 42 CO -0.02 0.56 -0.08 -0.31 0.00 0.00 0.00 174.94 175.10 2dmf s TYR 43 N -0.47 1.97 -0.15 3.97 2.02 -0.50 -0.64 117.35 123.55 2dmf s TYR 43 Ca 0.06 -0.65 -0.30 0.00 -0.37 0.00 0.00 57.07 55.80 2dmf s TYR 43 Cb -0.11 -1.09 0.13 0.00 -0.40 0.00 0.00 41.96 40.49 2dmf s TYR 43 CO 0.00 0.33 1.03 -1.50 -1.57 0.00 0.00 175.55 173.85 2dmf s ILE 44 N -2.95 0.00 -0.33 2.71 2.07 -1.20 -1.15 121.20 120.34 2dmf s ILE 44 Ca 0.29 0.00 0.04 0.00 -1.41 0.00 0.00 60.65 59.57 2dmf s ILE 44 Cb 0.03 -1.00 0.10 0.00 0.13 0.00 0.00 42.46 41.71 2dmf s ILE 44 CO 0.12 0.00 0.04 -0.89 -1.91 0.00 0.00 174.94 172.29 2dmf s THR 45 N -1.57 2.26 -0.35 4.00 2.01 -1.21 -1.52 115.64 119.26 2dmf s THR 45 Ca 0.01 -2.28 -0.22 0.00 0.31 0.00 0.00 61.69 59.52 2dmf s THR 45 Cb -0.01 -2.64 0.00 0.00 0.01 0.00 0.00 72.50 69.86 2dmf s THR 45 CO -0.02 -0.55 0.72 -0.76 -0.69 0.00 0.00 174.62 173.32 2dmf s LEU 46 N 0.92 4.17 0.03 4.42 1.43 -1.25 -5.00 118.68 123.40 2dmf s LEU 46 Ca 0.09 0.34 0.06 0.00 -1.03 0.00 0.00 54.13 53.59 2dmf s LEU 46 Cb -0.19 -2.93 -0.03 0.00 0.03 0.00 0.00 46.19 43.07 2dmf s LEU 46 CO -0.08 -0.64 -0.15 -1.38 0.23 0.00 0.00 176.35 174.33 2dmf s HIS 47 N 2.89 2.64 1.08 0.29 -3.43 -1.26 -4.15 115.29 113.36 2dmf s HIS 47 Ca 0.28 -0.20 -0.15 0.00 -0.80 0.00 0.00 55.06 54.19 2dmf s HIS 47 Cb -0.14 -1.51 0.23 0.00 -1.43 0.00 0.00 32.58 29.73 2dmf s HIS 47 CO 0.15 0.27 1.10 -1.25 -2.00 0.00 0.00 174.74 173.01 2dmf s PRO 48 N -1.39 -0.26 -0.62 -0.38 0.04 -1.26 -4.96 135.00 126.16 2dmf s PRO 48 Ca 0.15 0.28 -0.23 0.00 0.04 0.00 0.00 61.00 61.24 2dmf s PRO 48 Cb -0.11 -1.68 0.06 0.00 0.04 0.00 0.00 34.50 32.81 2dmf s PRO 48 CO 0.06 -3.14 0.96 0.00 0.04 0.00 0.00 177.00 174.91 2dmf s ALA 49 N -2.98 3.12 -1.49 8.56 0.00 -1.26 -4.87 121.76 122.84 2dmf s ALA 49 Ca 0.68 -1.63 0.08 0.00 0.00 0.00 0.00 51.96 51.09 2dmf s ALA 49 Cb -0.15 -3.82 0.41 0.00 0.00 0.00 0.00 23.12 19.55 2dmf s ALA 49 CO 0.57 -2.65 1.10 0.25 0.00 0.00 0.00 175.76 175.02 2dmf n THR 50 N 6.02 0.75 -3.55 0.00 -2.24 -1.26 -4.84 114.28 109.16 2dmf n THR 50 Ca -0.02 0.19 -0.20 0.00 -2.27 0.00 0.00 64.05 61.75 2dmf n THR 50 Cb 0.46 -1.06 0.07 0.00 -2.10 0.00 0.00 70.33 67.71 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 -1.25 -1.87 -4.34 6.98 0.00 -1.26 -1.97 120.51 116.79 2dmf n ALA 51 Ca 0.04 -0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.09 2dmf n ALA 51 Cb 0.06 -2.88 -0.05 0.00 0.00 0.00 0.00 19.45 16.58 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 -4.33 -2.24 0.00 0.00 1.02 -1.26 -4.80 120.64 109.03 2dmf n GLU 52 Ca -0.23 0.28 -0.00 0.00 -0.02 0.00 0.00 57.16 57.19 2dmf n GLU 52 Cb 0.65 -4.92 -0.00 0.00 -0.02 0.00 0.00 31.44 27.14 2dmf n GLU 52 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 2dmf n ASP 53 N -2.59 0.20 -3.91 1.62 2.03 -0.83 -4.94 116.55 108.13 2dmf n ASP 53 Ca 0.08 0.03 -0.30 0.00 0.52 0.00 0.00 54.79 55.11 2dmf n ASP 53 Cb 0.48 -0.15 -0.10 0.00 -0.72 0.00 0.00 41.12 40.63 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 -2.69 2.19 -0.24 -0.67 10.64 -1.25 -4.94 117.38 120.42 2dmf n GLN 54 Ca -0.00 -4.51 0.24 0.00 -1.83 0.00 0.00 57.00 50.89 2dmf n GLN 54 Cb 0.02 -2.33 0.43 0.00 -0.86 0.00 0.00 30.24 27.51 2dmf n GLN 54 CO 0.00 0.00 0.00 -0.25 -1.83 0.00 0.00 177.06 174.98 2dmf n ASP 55 N 1.92 0.25 -4.14 2.61 8.00 -1.26 -4.53 116.55 119.40 2dmf n ASP 55 Ca 0.22 1.24 -0.39 0.00 0.71 0.00 0.00 54.79 56.57 2dmf n ASP 55 Cb 0.36 -0.60 0.01 0.00 -0.02 0.00 0.00 41.12 40.86 2dmf n ASP 55 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 2dmf n SER 56 N -4.70 -3.28 -2.35 -2.24 3.41 -1.26 -4.88 113.62 98.32 2dmf n SER 56 Ca 0.28 0.69 -0.30 0.00 -0.26 0.00 0.00 58.87 59.29 2dmf n SER 56 Cb 0.95 -0.84 0.03 0.00 -0.26 0.00 0.00 64.21 64.10 2dmf n SER 56 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2dmf n GLN 57 N 1.40 3.24 -0.29 4.33 10.64 -1.26 -4.86 117.38 130.57 2dmf n GLN 57 Ca 0.09 -3.97 -0.03 0.00 -1.83 0.00 0.00 57.00 51.26 2dmf n GLN 57 Cb 0.43 -2.27 0.01 0.00 -0.86 0.00 0.00 30.24 27.54 2dmf n GLN 57 CO 0.00 0.00 0.00 0.98 -1.83 0.00 0.00 177.06 176.21 2dmf n TYR 58 N -0.67 -0.06 -3.43 2.61 9.36 -1.26 -4.02 117.16 119.70 2dmf n TYR 58 Ca 0.48 0.92 -0.37 0.00 3.32 0.00 0.00 57.90 62.26 2dmf n TYR 58 Cb 0.71 -0.73 -0.06 0.00 -0.63 0.00 0.00 39.34 38.62 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 -5.63 5.24 -0.03 2.97 0.11 -1.26 -4.75 120.40 117.05 2dmf s VAL 59 Ca -0.10 0.75 -0.29 0.00 -2.93 0.00 0.00 61.98 59.41 2dmf s VAL 59 Cb 0.14 -3.72 0.10 0.00 -1.53 0.00 0.00 36.38 31.36 2dmf s VAL 59 CO 0.52 0.36 0.87 0.00 -3.33 0.00 0.00 175.10 173.52 2dmf s PHE 61 N -2.52 -0.60 -0.76 0.00 -0.71 -1.26 -3.20 117.98 108.94 2dmf s PHE 61 Ca 0.02 1.03 -0.26 0.00 -1.04 0.00 0.00 56.93 56.68 2dmf s PHE 61 Cb -0.01 0.04 -0.00 0.00 -1.21 0.00 0.00 43.02 41.84 2dmf s PHE 61 CO -0.05 -0.50 1.65 0.99 -1.34 0.00 0.00 175.22 175.98 2dmf s THR 62 N 2.49 3.55 -0.40 -4.49 2.01 -0.99 -3.84 115.64 113.98 2dmf s THR 62 Ca 0.03 0.03 -0.28 0.00 0.31 0.00 0.00 61.69 61.78 2dmf s THR 62 Cb -0.13 -4.39 -0.01 0.00 0.01 0.00 0.00 72.50 67.98 2dmf s THR 62 CO -0.12 -1.33 1.66 -0.22 -0.69 0.00 0.00 174.62 173.92 2dmf s LEU 63 N 7.74 3.50 -0.23 4.42 0.20 -0.58 -1.69 118.68 132.04 2dmf s LEU 63 Ca 0.55 0.98 -0.22 0.00 0.69 0.00 0.00 54.13 56.14 2dmf s LEU 63 Cb -0.08 -3.38 -0.02 0.00 -0.43 0.00 0.00 46.19 42.28 2dmf s LEU 63 CO 0.11 -1.70 0.69 -0.69 -0.29 0.00 0.00 176.35 174.47 2dmf s VAL 64 N 6.63 4.95 -0.34 1.68 1.01 -0.19 -3.21 120.40 130.93 2dmf s VAL 64 Ca 0.71 1.29 -0.01 0.00 0.00 0.00 0.00 61.98 63.97 2dmf s VAL 64 Cb -0.18 -4.00 0.08 0.00 0.00 0.00 0.00 36.38 32.28 2dmf s VAL 64 CO 0.31 0.02 0.06 -0.76 0.00 0.00 0.00 175.10 174.73 2dmf s LEU 65 N 2.44 4.43 -0.38 3.92 1.43 0.19 -2.35 118.68 128.35 2dmf s LEU 65 Ca 0.30 -1.67 -0.16 0.00 -1.03 0.00 0.00 54.13 51.57 2dmf s LEU 65 Cb -0.16 -1.72 0.01 0.00 0.03 0.00 0.00 46.19 44.35 2dmf s LEU 65 CO 0.09 -0.36 0.37 -1.58 0.23 0.00 0.00 176.35 175.09 2dmf s GLN 66 N 1.14 3.28 -0.50 1.70 0.74 -1.15 -1.33 119.66 123.53 2dmf s GLN 66 Ca 0.01 -0.67 -0.19 0.00 0.05 0.00 0.00 55.36 54.56 2dmf s GLN 66 Cb -0.21 -3.90 0.06 0.00 1.10 0.00 0.00 33.01 30.06 2dmf s GLN 66 CO -0.04 -0.68 0.63 0.08 -0.55 0.00 0.00 175.29 174.74 2dmf s VAL 67 N 1.97 4.86 0.25 1.34 1.01 0.46 -1.53 120.40 128.77 2dmf s VAL 67 Ca 0.10 -0.45 -0.04 0.00 0.00 0.00 0.00 61.98 61.58 2dmf s VAL 67 Cb -0.17 -4.30 0.06 0.00 0.00 0.00 0.00 36.38 31.97 2dmf s VAL 67 CO 0.12 -0.80 0.23 -0.81 0.00 0.00 0.00 175.10 173.83 2dmf n PRO 68 N 6.20 -1.47 0.05 2.72 -0.04 -1.26 -0.56 135.00 140.64 2dmf n PRO 68 Ca -0.06 -0.36 -0.20 0.00 -0.04 0.00 0.00 63.50 62.83 2dmf n PRO 68 Cb 0.45 -0.34 -0.11 0.00 -0.04 0.00 0.00 33.50 33.47 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 -2.15 0.09 -0.96 0.55 0.00 -1.88 -3.27 119.26 111.64 2dmf h ALA 69 Ca -0.08 -0.70 0.02 0.00 0.00 0.00 0.00 54.91 54.14 2dmf h ALA 69 Cb 0.26 0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.07 2dmf h ALA 69 CO 0.06 0.64 0.63 0.93 0.00 0.00 0.00 179.25 181.51 2dmf h GLU 70 N 0.31 1.24 -4.43 0.00 4.39 -1.91 -3.45 114.58 110.73 2dmf h GLU 70 Ca -0.14 -0.07 -0.49 0.00 0.34 0.00 0.00 59.36 59.00 2dmf h GLU 70 Cb 1.70 -0.28 0.09 0.00 -0.10 0.00 0.00 28.75 30.16 2dmf h GLU 70 CO 0.20 0.82 -0.45 0.98 -1.16 0.00 0.00 179.01 179.40 2dmf n TYR 71 N -4.43 -0.60 0.18 4.33 4.19 -1.24 -1.78 117.16 117.82 2dmf n TYR 71 Ca 0.11 0.66 0.04 0.00 3.31 0.00 0.00 57.90 62.03 2dmf n TYR 71 Cb 0.03 -1.42 0.35 0.00 0.49 0.00 0.00 39.34 38.79 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 0.64 0.00 -0.50 2.98 0.13 -1.86 -3.44 132.00 129.94 2dmf h PRO 72 Ca -0.22 0.00 0.20 0.00 -0.87 0.00 0.00 66.00 65.11 2dmf h PRO 72 Cb 1.06 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.10 2dmf h PRO 72 CO 0.41 0.40 0.22 0.72 -0.23 0.00 0.00 178.00 179.52 2dmf n HIS 73 N -3.81 0.54 -4.36 1.56 8.25 -0.73 -3.80 115.22 112.87 2dmf n HIS 73 Ca -0.01 0.60 -0.34 0.00 -0.26 0.00 0.00 57.72 57.71 2dmf n HIS 73 Cb 0.47 -1.01 -0.11 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 -4.88 3.51 0.37 -0.41 2.12 -1.23 -4.75 118.70 113.44 2dmf s GLU 74 Ca -0.05 -0.48 -0.27 0.00 0.36 0.00 0.00 54.97 54.53 2dmf s GLU 74 Cb 0.17 -2.91 -0.10 0.00 0.26 0.00 0.00 34.13 31.55 2dmf s GLU 74 CO 0.39 0.37 1.30 0.14 -0.54 0.00 0.00 175.26 176.92 2dmf s VAL 75 N 0.03 2.68 0.11 3.70 -7.23 -1.25 -3.68 120.40 114.76 2dmf s VAL 75 Ca 0.01 0.65 -0.31 0.00 -1.81 0.00 0.00 61.98 60.52 2dmf s VAL 75 Cb -0.13 -3.40 -0.08 0.00 0.56 0.00 0.00 36.38 33.34 2dmf s VAL 75 CO 0.02 0.13 1.36 -2.16 -0.31 0.00 0.00 175.10 174.14 2dmf s PRO 76 N -2.02 4.34 -0.52 4.82 0.04 -1.26 -4.82 135.00 135.59 2dmf s PRO 76 Ca 0.53 2.03 -0.26 0.00 0.04 0.00 0.00 61.00 63.34 2dmf s PRO 76 Cb -0.39 -3.26 -0.07 0.00 0.04 0.00 0.00 34.50 30.83 2dmf s PRO 76 CO 0.51 -0.40 2.36 -1.14 0.04 0.00 0.00 177.00 178.37 2dmf s GLN 77 N 1.00 2.11 0.06 4.56 2.00 -0.58 -4.69 119.66 124.12 2dmf s GLN 77 Ca 0.63 1.27 -0.28 0.00 -2.00 0.00 0.00 55.36 54.99 2dmf s GLN 77 Cb -0.36 -4.58 -0.05 0.00 0.80 0.00 0.00 33.01 28.82 2dmf s GLN 77 CO 0.31 -3.31 0.87 0.42 -0.50 0.00 0.00 175.29 173.08 2dmf s ILE 78 N 12.11 4.68 -0.20 -2.34 1.01 -1.26 -2.96 121.20 132.25 2dmf s ILE 78 Ca 0.94 1.86 -0.17 0.00 0.00 0.00 0.00 60.65 63.28 2dmf s ILE 78 Cb -0.16 -4.22 0.05 0.00 0.01 0.00 0.00 42.46 38.14 2dmf s ILE 78 CO 0.24 0.31 0.53 -0.44 0.00 0.00 0.00 174.94 175.58 2dmf s SER 79 N 0.18 -0.57 0.03 3.58 0.01 -0.99 -5.01 113.70 110.93 2dmf s SER 79 Ca 0.44 1.08 -0.24 0.00 1.31 0.00 0.00 55.95 58.54 2dmf s SER 79 Cb -0.21 1.07 -0.05 0.00 0.21 0.00 0.00 66.02 67.03 2dmf s SER 79 CO 0.26 -0.19 0.72 -0.63 0.41 0.00 0.00 173.24 173.81 2dmf s ILE 80 N 0.46 4.77 -0.10 1.44 -1.09 -1.26 -1.02 121.20 124.40 2dmf s ILE 80 Ca -0.01 1.52 0.03 0.00 -2.23 0.00 0.00 60.65 59.96 2dmf s ILE 80 Cb -0.04 -4.06 0.01 0.00 -1.58 0.00 0.00 42.46 36.78 2dmf s ILE 80 CO -0.02 0.38 -0.19 -0.60 -1.23 0.00 0.00 174.94 173.28 2dmf s ARG 81 N -0.13 2.57 -1.02 2.79 6.06 -0.68 -4.75 118.95 123.79 2dmf s ARG 81 Ca 0.36 -0.71 -0.00 0.00 -2.50 0.00 0.00 55.73 52.89 2dmf s ARG 81 Cb -0.20 -2.01 -0.00 0.00 0.06 0.00 0.00 34.95 32.80 2dmf s ARG 81 CO 0.21 0.09 0.85 0.09 -2.50 0.00 0.00 175.30 174.04 2dmf n ASN 82 N 3.75 -2.11 -4.59 -2.12 3.02 -1.26 -2.34 115.26 109.61 2dmf n ASN 82 Ca -0.20 -0.53 -0.42 0.00 -0.03 0.00 0.00 54.58 53.40 2dmf n ASN 82 Cb 0.52 -4.43 -0.03 0.00 -0.61 0.00 0.00 39.78 35.24 2dmf n ASN 82 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 2dmf s PRO 83 N -5.14 3.24 0.01 3.52 0.04 -1.26 -4.58 135.00 130.84 2dmf s PRO 83 Ca 0.01 1.16 0.06 0.00 0.04 0.00 0.00 61.00 62.27 2dmf s PRO 83 Cb -0.00 -4.20 -0.03 0.00 0.04 0.00 0.00 34.50 30.31 2dmf s PRO 83 CO 0.62 -1.97 -0.16 0.50 0.04 0.00 0.00 177.00 176.03 2dmf s ARG 84 N 5.79 2.25 0.00 4.56 3.52 -1.19 -4.70 118.95 129.17 2dmf s ARG 84 Ca 0.73 -0.87 0.00 0.00 -0.13 0.00 0.00 55.73 55.46 2dmf s ARG 84 Cb -0.19 -2.28 0.00 0.00 -1.56 0.00 0.00 34.95 30.93 2dmf s ARG 84 CO 0.31 0.57 0.00 0.41 -0.81 0.00 0.00 175.30 175.78 2dmf n GLY 85 N 1.76 1.31 3.76 8.12 0.00 -1.26 -3.93 105.19 114.95 2dmf n GLY 85 Ca -0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.45 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 4.48 0.39 0.99 1.43 -1.26 -4.92 118.68 119.79 2dmf s LEU 86 Ca 0.00 2.45 0.00 0.00 -1.03 0.00 0.00 54.13 55.55 2dmf s LEU 86 Cb 0.00 -3.63 -0.02 0.00 0.03 0.00 0.00 46.19 42.57 2dmf s LEU 86 CO 0.00 -0.37 0.61 -0.55 0.23 0.00 0.00 176.35 176.27 2dmf s SER 87 N -0.47 6.12 0.24 2.29 0.15 -1.26 -4.86 113.70 115.92 2dmf s SER 87 Ca 0.49 0.41 -0.10 0.00 0.70 0.00 0.00 55.95 57.45 2dmf s SER 87 Cb -0.36 -1.85 0.38 0.00 -1.71 0.00 0.00 66.02 62.48 2dmf s SER 87 CO 0.45 -0.47 1.61 -0.78 1.20 0.00 0.00 173.24 175.25 2dmf h ASP 88 N 0.59 -0.63 0.55 5.45 3.58 -1.98 0.19 116.42 124.17 2dmf h ASP 88 Ca -0.48 0.23 -0.02 0.00 0.42 0.00 0.00 57.03 57.18 2dmf h ASP 88 Cb 1.23 0.45 -0.01 0.00 1.72 0.00 0.00 39.33 42.73 2dmf h ASP 88 CO 0.60 -0.25 -0.36 1.05 -2.88 0.00 0.00 179.24 177.40 2dmf h GLU 89 N 0.02 -0.84 -0.53 0.28 4.11 -2.01 -1.63 114.58 113.99 2dmf h GLU 89 Ca 0.40 0.06 0.10 0.00 0.07 0.00 0.00 59.36 59.98 2dmf h GLU 89 Cb 0.65 0.19 -0.08 0.00 0.50 0.00 0.00 28.75 30.01 2dmf h GLU 89 CO -0.78 -0.56 0.06 1.96 0.07 0.00 0.00 179.01 179.76 2dmf h GLN 90 N -0.87 0.17 0.08 1.06 1.08 -1.58 -2.37 115.11 112.68 2dmf h GLN 90 Ca -0.06 -0.01 0.02 0.00 -1.45 0.00 0.00 58.65 57.15 2dmf h GLN 90 Cb 0.72 -0.04 -0.05 0.00 -0.05 0.00 0.00 27.48 28.06 2dmf h GLN 90 CO 0.05 0.12 -0.36 0.82 -0.95 0.00 0.00 178.83 178.50 2dmf h ILE 91 N 0.18 0.24 -0.90 2.54 2.04 -0.46 -2.22 117.51 118.93 2dmf h ILE 91 Ca 0.27 0.00 0.18 0.00 1.00 0.00 0.00 64.86 66.31 2dmf h ILE 91 Cb 0.40 0.24 -0.17 0.00 -0.74 0.00 0.00 36.82 36.55 2dmf h ILE 91 CO -0.39 0.00 -0.21 1.57 0.00 0.00 0.00 178.15 179.11 2dmf n HIS 92 N -5.44 0.34 0.36 1.37 -0.00 -0.63 -0.44 115.22 110.78 2dmf n HIS 92 Ca -0.06 1.10 -0.18 0.00 0.46 0.00 0.00 57.72 59.03 2dmf n HIS 92 Cb 0.35 -1.03 -0.09 0.00 -0.12 0.00 0.00 29.99 29.09 2dmf n HIS 92 CO 0.00 0.00 0.00 1.15 0.46 0.00 0.00 176.34 177.95 2dmf h THR 93 N 0.00 0.10 -0.91 3.57 2.02 -1.32 -1.80 112.91 114.57 2dmf h THR 93 Ca 0.44 0.00 0.21 0.00 0.77 0.00 0.00 66.41 67.83 2dmf h THR 93 Cb 0.69 0.10 -0.17 0.00 -1.74 0.00 0.00 68.15 67.03 2dmf h THR 93 CO -0.93 0.00 -0.13 -0.38 0.37 0.00 0.00 175.52 174.45 2dmf n ILE 94 N -5.57 -0.38 0.37 3.11 5.41 0.41 -0.63 119.36 122.09 2dmf n ILE 94 Ca -0.13 2.06 -0.17 0.00 1.00 0.00 0.00 62.75 65.52 2dmf n ILE 94 Cb 0.45 -2.91 -0.08 0.00 -0.71 0.00 0.00 39.64 36.39 2dmf n ILE 94 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 2dmf h LEU 95 N 0.00 -0.82 -0.85 1.39 3.38 -1.15 -2.46 115.31 114.80 2dmf h LEU 95 Ca 0.48 0.00 0.11 0.00 0.09 0.00 0.00 57.88 58.57 2dmf h LEU 95 Cb 0.85 0.21 -0.12 0.00 0.09 0.00 0.00 40.66 41.69 2dmf h LEU 95 CO -0.91 -0.48 -0.40 0.00 0.09 0.00 0.00 178.44 176.74 2dmf n GLN 96 N -5.44 -0.27 0.00 1.13 6.02 0.20 -0.24 117.38 118.78 2dmf n GLN 96 Ca -0.13 1.29 0.00 0.00 -0.01 0.00 0.00 57.00 58.15 2dmf n GLN 96 Cb 0.40 -1.91 0.00 0.00 1.02 0.00 0.00 30.24 29.74 2dmf n GLN 96 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 2dmf n VAL 97 N -5.18 0.00 -0.24 5.09 0.31 -0.74 -1.19 118.33 116.38 2dmf n VAL 97 Ca 0.06 1.32 0.16 0.00 -0.01 0.00 0.00 64.34 65.87 2dmf n VAL 97 Cb 0.29 -2.28 0.31 0.00 -0.91 0.00 0.00 33.84 31.25 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 -1.52 0.07 -0.08 7.52 4.77 -0.90 0.18 117.00 127.03 2dmf n LEU 98 Ca 0.00 1.22 -0.11 0.00 -0.03 0.00 0.00 56.01 57.10 2dmf n LEU 98 Cb 0.00 -0.51 -0.04 0.00 -2.33 0.00 0.00 43.42 40.54 2dmf n LEU 98 CO 0.00 -1.30 0.80 1.23 -1.33 0.00 0.00 177.39 176.79 2dmf h GLY 99 N 0.00 0.46 0.74 -0.72 0.00 -0.45 -2.93 103.07 100.16 2dmf h GLY 99 Ca 0.52 -0.31 0.06 0.00 0.00 0.00 0.00 47.33 47.60 2dmf h GLY 99 CO -0.63 0.29 0.47 0.84 0.00 0.00 0.00 176.54 177.50 2dmf h HIS 100 N 0.23 0.86 -0.53 5.60 -0.00 0.34 -2.15 115.15 119.49 2dmf h HIS 100 Ca 0.08 0.03 0.06 0.00 -0.00 0.00 0.00 60.37 60.54 2dmf h HIS 100 Cb 0.34 -0.27 -0.05 0.00 -0.00 0.00 0.00 27.41 27.42 2dmf h HIS 100 CO 0.02 0.44 0.23 0.28 -0.00 0.00 0.00 177.93 178.90 2dmf h VAL 101 N 0.86 0.88 0.88 5.26 2.07 -1.17 -0.94 116.25 124.09 2dmf h VAL 101 Ca 0.33 -0.15 -0.04 0.00 0.82 0.00 0.00 66.70 67.66 2dmf h VAL 101 Cb 0.15 0.40 0.01 0.00 -1.52 0.00 0.00 31.29 30.32 2dmf h VAL 101 CO -0.16 0.08 -0.44 0.00 0.02 0.00 0.00 177.57 177.06 2dmf h ALA 102 N 1.32 -1.21 -0.87 1.67 0.00 -1.23 0.31 119.26 119.25 2dmf h ALA 102 Ca 0.25 -0.26 0.19 0.00 0.00 0.00 0.00 54.91 55.09 2dmf h ALA 102 Cb 0.22 0.49 -0.11 0.00 0.00 0.00 0.00 17.79 18.39 2dmf h ALA 102 CO -0.22 -1.19 0.40 0.87 0.00 0.00 0.00 179.25 179.12 2dmf h LYS 103 N -1.21 0.46 0.00 0.00 1.57 -1.26 0.59 116.57 116.73 2dmf h LYS 103 Ca -0.12 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.62 2dmf h LYS 103 Cb 0.93 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 33.14 2dmf h LYS 103 CO 0.18 0.30 -0.06 0.00 -0.57 0.00 0.00 179.45 179.31 2dmf h ALA 104 N 1.65 0.98 -0.98 3.86 0.00 -0.95 -3.23 119.26 120.59 2dmf h ALA 104 Ca 0.52 -0.06 -0.62 0.00 0.00 0.00 0.00 54.91 54.75 2dmf h ALA 104 Cb 0.90 -0.01 -0.37 0.00 0.00 0.00 0.00 17.79 18.31 2dmf h ALA 104 CO -0.47 0.08 -0.06 0.41 0.00 0.00 0.00 179.25 179.21 2dmf n GLY 105 N 0.58 6.08 3.83 0.00 0.00 0.20 -5.04 105.19 110.84 2dmf n GLY 105 Ca 0.02 -2.55 -0.31 0.00 0.00 0.00 0.00 46.02 43.18 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 -3.72 3.14 -0.22 0.99 1.43 -0.71 -3.52 118.68 116.06 2dmf s LEU 106 Ca 0.55 1.55 0.00 0.00 -1.03 0.00 0.00 54.13 55.20 2dmf s LEU 106 Cb 0.44 -4.47 0.00 0.00 0.03 0.00 0.00 46.19 42.20 2dmf s LEU 106 CO -0.07 -1.30 0.00 0.61 0.23 0.00 0.00 176.35 175.82 2dmf n GLY 107 N -2.22 0.31 3.16 -3.19 0.00 -1.26 -4.92 105.19 97.08 2dmf n GLY 107 Ca 0.07 -0.03 -0.18 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.26 0.00 -2.65 2.61 -2.24 -1.23 -4.95 114.28 103.56 2dmf n THR 108 Ca -0.02 -2.21 -0.42 0.00 -2.27 0.00 0.00 64.05 59.14 2dmf n THR 108 Cb 0.41 1.16 -0.03 0.00 -2.10 0.00 0.00 70.33 69.76 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 -3.17 2.87 -0.10 6.98 0.00 -1.26 -4.76 121.76 122.31 2dmf s ALA 109 Ca 0.36 -1.84 0.15 0.00 0.00 0.00 0.00 51.96 50.64 2dmf s ALA 109 Cb 0.01 -4.24 -0.22 0.00 0.00 0.00 0.00 23.12 18.67 2dmf s ALA 109 CO 0.26 -3.25 0.52 0.00 0.00 0.00 0.00 175.76 173.29 2dmf n MET 110 N 8.66 0.65 -0.02 0.00 3.85 -1.26 -4.47 117.12 124.53 2dmf n MET 110 Ca 0.12 0.17 -0.01 0.00 -1.00 0.00 0.00 57.70 56.99 2dmf n MET 110 Cb 0.49 -1.71 -0.00 0.00 -1.05 0.00 0.00 33.22 30.95 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 -2.89 -0.05 -0.17 3.17 4.77 -1.26 -0.00 117.00 120.56 2dmf n LEU 111 Ca -0.19 0.78 -0.05 0.00 -0.03 0.00 0.00 56.01 56.51 2dmf n LEU 111 Cb 1.02 -0.36 0.01 0.00 -2.33 0.00 0.00 43.42 41.76 2dmf n LEU 111 CO 0.44 -0.42 0.66 0.22 -1.33 0.00 0.00 177.39 176.96 2dmf h TYR 112 N 0.00 -0.79 0.02 -1.77 5.03 -1.97 -2.28 116.97 115.21 2dmf h TYR 112 Ca 0.01 0.06 0.01 0.00 2.58 0.00 0.00 58.73 61.39 2dmf h TYR 112 Cb 0.02 0.42 -0.02 0.00 1.55 0.00 0.00 36.73 38.70 2dmf h TYR 112 CO -0.70 -0.36 -0.22 0.93 -1.32 0.00 0.00 178.16 176.49 2dmf h GLU 113 N -0.17 -0.28 -0.96 1.82 5.08 -0.84 -0.48 114.58 118.75 2dmf h GLU 113 Ca 0.22 0.02 0.39 0.00 -1.00 0.00 0.00 59.36 58.99 2dmf h GLU 113 Cb 0.53 0.06 -0.16 0.00 0.50 0.00 0.00 28.75 29.68 2dmf h GLU 113 CO -0.61 -0.19 0.54 1.28 -1.00 0.00 0.00 179.01 179.03 2dmf n LEU 114 N -3.72 0.30 0.00 1.33 4.77 1.00 -0.34 117.00 120.34 2dmf n LEU 114 Ca -0.03 1.48 0.00 0.00 -0.03 0.00 0.00 56.01 57.43 2dmf n LEU 114 Cb 0.17 -0.72 0.00 0.00 -2.33 0.00 0.00 43.42 40.53 2dmf n LEU 114 CO 0.06 -1.65 0.23 -0.38 -1.33 0.00 0.00 177.39 174.32 2dmf n ILE 115 N -4.99 0.00 -0.49 -0.08 5.41 -0.45 -2.55 119.36 116.22 2dmf n ILE 115 Ca 0.35 0.92 0.40 0.00 1.00 0.00 0.00 62.75 65.42 2dmf n ILE 115 Cb 1.21 -1.84 0.69 0.00 -0.71 0.00 0.00 39.64 38.99 2dmf n ILE 115 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 176.55 177.60 2dmf h GLU 116 N 0.00 0.05 0.72 0.38 4.11 -0.10 0.52 114.58 120.27 2dmf h GLU 116 Ca 0.00 -0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.39 2dmf h GLU 116 Cb 0.00 -0.01 0.01 0.00 0.50 0.00 0.00 28.75 29.25 2dmf h GLU 116 CO 0.00 0.03 -0.35 -0.22 0.07 0.00 0.00 179.01 178.55 2dmf h LYS 117 N 0.05 -0.94 -0.96 1.06 1.63 -0.73 -3.15 116.57 113.54 2dmf h LYS 117 Ca 0.84 0.06 0.20 0.00 -0.85 0.00 0.00 60.65 60.91 2dmf h LYS 117 Cb 2.81 0.21 -0.18 0.00 -0.60 0.00 0.00 32.23 34.47 2dmf h LYS 117 CO -0.35 -0.62 -0.21 0.78 -3.45 0.00 0.00 179.45 175.59 2dmf h GLY 118 N -1.03 0.75 -0.94 5.01 0.00 -0.60 0.24 103.07 106.48 2dmf h GLY 118 Ca -0.10 0.30 0.24 0.00 0.00 0.00 0.00 47.33 47.77 2dmf h GLY 118 CO 0.16 -0.38 -0.06 0.28 0.00 0.00 0.00 176.54 176.55 2dmf n LYS 119 N -5.59 -0.08 0.05 4.80 5.02 -1.12 0.03 118.16 121.27 2dmf n LYS 119 Ca 0.16 1.43 -0.13 0.00 -2.02 0.00 0.00 58.31 57.75 2dmf n LYS 119 Cb 0.51 -2.23 -0.09 0.00 -0.02 0.00 0.00 35.03 33.20 2dmf n LYS 119 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 2dmf h GLU 120 N 0.00 -0.13 -0.99 1.97 4.39 -0.61 -2.00 114.58 117.22 2dmf h GLU 120 Ca 0.54 0.01 0.09 0.00 0.34 0.00 0.00 59.36 60.33 2dmf h GLU 120 Cb 1.03 0.03 -0.12 0.00 -0.10 0.00 0.00 28.75 29.59 2dmf h GLU 120 CO -0.91 0.20 -0.58 -0.89 -1.16 0.00 0.00 179.01 175.67 2dmf n ILE 121 N -5.00 -0.67 0.05 3.13 5.41 0.10 -1.01 119.36 121.38 2dmf n ILE 121 Ca -0.08 2.40 -0.12 0.00 1.00 0.00 0.00 62.75 65.94 2dmf n ILE 121 Cb 0.21 -2.97 -0.08 0.00 -0.71 0.00 0.00 39.64 36.09 2dmf n ILE 121 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 176.55 176.80 2dmf h LEU 122 N 0.00 -0.05 -0.84 1.39 6.46 -1.45 -2.74 115.31 118.08 2dmf h LEU 122 Ca 0.16 -0.07 0.34 0.00 -0.12 0.00 0.00 57.88 58.18 2dmf h LEU 122 Cb 0.40 0.01 -0.15 0.00 -0.73 0.00 0.00 40.66 40.19 2dmf h LEU 122 CO -0.93 0.04 0.39 0.41 -0.62 0.00 0.00 178.44 177.74 2dmf n THR 123 N -5.08 -0.35 -0.01 1.05 -1.04 -0.18 0.13 114.28 108.80 2dmf n THR 123 Ca -0.08 1.72 -0.16 0.00 -2.04 0.00 0.00 64.05 63.49 2dmf n THR 123 Cb 0.08 -2.76 -0.11 0.00 -1.82 0.00 0.00 70.33 65.73 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 0.41 -1.47 8.00 3.58 -1.09 -3.31 116.42 122.55 2dmf h ASP 124 Ca 0.69 -0.74 -0.70 0.00 0.42 0.00 0.00 57.03 56.69 2dmf h ASP 124 Cb 1.77 -0.12 -0.30 0.00 1.72 0.00 0.00 39.33 42.40 2dmf h ASP 124 CO -0.67 1.10 0.71 0.59 -2.88 0.00 0.00 179.24 178.09 2dmf n ASN 125 N -4.35 7.19 0.01 2.28 3.02 0.36 -4.53 115.26 119.24 2dmf n ASN 125 Ca -0.10 -3.80 -0.17 0.00 -0.03 0.00 0.00 54.58 50.48 2dmf n ASN 125 Cb 0.59 -0.93 -0.14 0.00 -0.61 0.00 0.00 39.78 38.68 2dmf n ASN 125 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 2dmf h ASN 126 N 2.50 0.30 -1.87 6.41 -1.07 0.20 -3.46 115.58 118.60 2dmf h ASN 126 Ca 0.55 -0.61 -0.66 0.00 0.07 0.00 0.00 56.30 55.66 2dmf h ASN 126 Cb 0.52 -0.10 0.07 0.00 -2.07 0.00 0.00 38.32 36.74 2dmf h ASN 126 CO 1.41 1.54 0.37 -0.38 0.07 0.00 0.00 177.43 180.43 2dmf n ILE 127 N -3.36 0.51 -1.25 6.14 -0.00 -1.26 -4.93 119.36 115.20 2dmf n ILE 127 Ca -0.24 -0.13 -0.31 0.00 -0.00 0.00 0.00 62.75 62.07 2dmf n ILE 127 Cb 1.05 -0.87 0.09 0.00 -0.00 0.00 0.00 39.64 39.91 2dmf n ILE 127 CO 0.00 0.00 0.00 -2.16 -0.00 0.00 0.00 176.55 174.39 2dmf s PRO 128 N 0.01 2.24 0.00 0.38 0.04 -1.26 -5.00 135.00 131.41 2dmf s PRO 128 Ca 0.78 1.17 0.00 0.00 0.04 0.00 0.00 61.00 62.99 2dmf s PRO 128 Cb -0.88 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 31.76 2dmf s PRO 128 CO 0.49 -1.66 0.00 1.58 0.04 0.00 0.00 177.00 177.46 2dmf n HIS 129 N -3.53 0.00 0.00 0.56 -0.00 -1.26 -5.06 115.22 105.93 2dmf n HIS 129 Ca 0.09 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.27 2dmf n HIS 129 Cb 0.53 0.26 0.00 0.00 -0.12 0.00 0.00 29.99 30.66 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 2.19 2.42 0.33 1.57 0.00 -1.26 -4.80 105.19 105.63 2dmf n GLY 130 Ca 0.00 -0.49 0.10 0.00 0.00 0.00 0.00 46.02 45.63 2dmf n GLY 130 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2dmf h GLN 131 N 0.00 0.04 -0.85 1.61 4.15 -1.99 0.21 115.11 118.28 2dmf h GLN 131 Ca 0.00 -0.00 0.25 0.00 0.77 0.00 0.00 58.65 59.66 2dmf h GLN 131 Cb 0.00 -0.01 -0.16 0.00 0.21 0.00 0.00 27.48 27.52 2dmf h GLN 131 CO 0.00 0.02 0.06 0.45 -1.93 0.00 0.00 178.83 177.44 2dmf n SER 132 N -5.47 -0.06 -4.30 -0.69 2.88 -1.26 -4.53 113.62 100.19 2dmf n SER 132 Ca 0.19 1.43 -0.53 0.00 -1.33 0.00 0.00 58.87 58.64 2dmf n SER 132 Cb 0.63 -0.54 -0.06 0.00 -0.75 0.00 0.00 64.21 63.49 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 -1.40 -0.83 0.00 0.46 0.00 0.73 -4.75 105.19 99.39 2dmf n GLY 133 Ca 0.21 0.57 0.04 0.00 0.00 0.00 0.00 46.02 46.85 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 1.26 0.49 -0.63 1.61 -0.04 -1.26 -4.88 135.00 131.54 2dmf n PRO 134 Ca 0.19 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.37 2dmf n PRO 134 Cb 0.14 -1.27 -0.05 0.00 -0.04 0.00 0.00 33.50 32.28 2dmf n PRO 134 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2dmf n SER 135 N -0.77 0.41 -4.62 3.54 3.41 -1.26 -4.90 113.62 109.43 2dmf n SER 135 Ca 0.06 0.39 -0.24 0.00 -0.26 0.00 0.00 58.87 58.82 2dmf n SER 135 Cb 0.03 -0.38 -0.08 0.00 -0.26 0.00 0.00 64.21 63.51 2dmf n SER 135 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2dmf s SER 136 N 2.00 4.22 0.00 4.04 1.04 -1.26 -5.18 113.70 118.56 2dmf s SER 136 Ca 0.49 -0.89 0.00 0.00 0.48 0.00 0.00 55.95 56.03 2dmf s SER 136 Cb -0.64 -0.59 0.00 0.00 0.10 0.00 0.00 66.02 64.88 2dmf s SER 136 CO 0.31 -0.13 0.00 0.61 0.98 0.00 0.00 173.24 175.01