#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1m2a s LYS 4 N 0.00 0.48 -0.19 -4.13 1.02 -0.28 -4.55 119.74 112.08 1m2a s LYS 4 Ca 0.00 -0.44 0.01 0.00 0.02 0.00 0.00 55.97 55.56 1m2a s LYS 4 Cb 0.00 -0.37 0.04 0.00 -0.52 0.00 0.00 37.83 36.98 1m2a s LYS 4 CO 0.00 0.09 -0.10 -1.58 -0.92 0.00 0.00 175.35 172.84 1m2a s HIS 5 N -0.67 2.33 -0.17 3.18 2.46 0.43 -1.73 115.29 121.11 1m2a s HIS 5 Ca -0.03 -1.51 -0.06 0.00 0.47 0.00 0.00 55.06 53.93 1m2a s HIS 5 Cb -0.06 -1.61 -0.04 0.00 -0.13 0.00 0.00 32.58 30.75 1m2a s HIS 5 CO 0.00 -0.72 0.03 0.08 -2.47 0.00 0.00 174.74 171.66 1m2a s VAL 6 N 1.43 4.49 -0.16 0.89 1.01 0.67 -0.49 120.40 128.25 1m2a s VAL 6 Ca -0.00 -0.14 0.00 0.00 0.00 0.00 0.00 61.98 61.84 1m2a s VAL 6 Cb -0.16 -3.01 -0.00 0.00 0.00 0.00 0.00 36.38 33.21 1m2a s VAL 6 CO -0.08 0.47 -0.15 -0.36 0.00 0.00 0.00 175.10 174.98 1m2a s PHE 7 N 0.39 2.79 -0.18 5.22 0.40 0.21 -0.61 117.98 126.20 1m2a s PHE 7 Ca 0.01 -1.05 -0.01 0.00 -0.60 0.00 0.00 56.93 55.28 1m2a s PHE 7 Cb -0.13 -1.90 -0.00 0.00 0.51 0.00 0.00 43.02 41.50 1m2a s PHE 7 CO 0.01 -0.48 -0.13 0.08 0.70 0.00 0.00 175.22 175.40 1m2a s VAL 8 N 0.85 2.79 0.00 -0.44 1.01 -0.47 -0.85 120.40 123.30 1m2a s VAL 8 Ca -0.04 -0.71 -0.30 0.00 0.00 0.00 0.00 61.98 60.92 1m2a s VAL 8 Cb -0.15 -2.21 -0.05 0.00 0.00 0.00 0.00 36.38 33.98 1m2a s VAL 8 CO -0.01 0.49 1.21 0.00 0.00 0.00 0.00 175.10 176.80 1m2a n VAL 10 N 4.29 1.77 -1.72 0.00 0.24 0.37 -4.59 118.33 118.68 1m2a n VAL 10 Ca 0.10 -2.23 -0.43 0.00 -2.04 0.00 0.00 64.34 59.74 1m2a n VAL 10 Cb 0.46 -0.17 -0.02 0.00 -1.47 0.00 0.00 33.84 32.64 1m2a n VAL 10 CO 0.00 0.00 0.00 1.67 -2.14 0.00 0.00 176.83 176.36 1m2a n GLN 11 N -1.26 2.55 -4.28 7.34 -0.06 -1.21 -4.46 117.38 115.99 1m2a n GLN 11 Ca 0.15 0.91 -0.26 0.00 -2.00 0.00 0.00 57.00 55.80 1m2a n GLN 11 Cb 0.66 -2.68 -0.09 0.00 -4.06 0.00 0.00 30.24 24.07 1m2a n GLN 11 CO 0.00 0.00 0.00 0.34 -0.20 0.00 0.00 177.06 177.20 1m2a s ASP 12 N 0.57 4.31 0.02 1.69 3.68 -1.26 -0.94 116.67 124.75 1m2a s ASP 12 Ca 0.67 -0.57 -0.07 0.00 2.13 0.00 0.00 52.55 54.71 1m2a s ASP 12 Cb -0.54 -0.75 -0.00 0.00 -1.45 0.00 0.00 42.92 40.18 1m2a s ASP 12 CO 0.46 0.09 0.12 -0.13 0.13 0.00 0.00 175.17 175.85 1m2a s ARG 13 N -2.91 0.55 0.89 4.34 0.52 -1.26 -5.03 118.95 116.05 1m2a s ARG 13 Ca 0.26 -0.58 -0.11 0.00 -0.52 0.00 0.00 55.73 54.78 1m2a s ARG 13 Cb -0.09 0.22 0.13 0.00 0.52 0.00 0.00 34.95 35.74 1m2a s ARG 13 CO 0.16 -0.14 1.11 -2.14 0.02 0.00 0.00 175.30 174.31 1m2a s PRO 14 N -2.06 1.24 0.43 3.54 0.02 -1.26 -4.90 135.00 132.02 1m2a s PRO 14 Ca -0.09 1.24 0.26 0.00 0.02 0.00 0.00 61.00 62.43 1m2a s PRO 14 Cb -0.04 -1.78 1.31 0.00 0.02 0.00 0.00 34.50 34.01 1m2a s PRO 14 CO -0.02 -2.37 1.70 -1.35 -0.33 0.00 0.00 177.00 174.63 1m2a h PRO 15 N -1.67 0.20 -0.03 5.54 0.11 -2.01 -2.50 132.00 131.64 1m2a h PRO 15 Ca -0.46 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1m2a h PRO 15 Cb 1.27 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1m2a h PRO 15 CO 0.48 0.13 0.00 0.41 -0.21 0.00 0.00 178.00 178.81 1m2a n GLY 16 N -1.53 -0.45 3.67 -0.55 0.00 -1.26 -4.82 105.19 100.25 1m2a n GLY 16 Ca 0.31 -0.31 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1m2a n GLY 16 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1m2a s HIS 17 N -1.97 2.42 0.25 1.61 5.04 -0.94 -4.88 115.29 116.82 1m2a s HIS 17 Ca 0.39 0.54 -0.03 0.00 -1.54 0.00 0.00 55.06 54.42 1m2a s HIS 17 Cb 0.20 -3.77 0.50 0.00 0.04 0.00 0.00 32.58 29.56 1m2a s HIS 17 CO 0.32 -3.03 1.69 -1.35 -2.34 0.00 0.00 174.74 170.04 1m2a h PRO 18 N 8.71 0.31 -0.00 2.88 0.11 -1.92 -1.47 132.00 140.63 1m2a h PRO 18 Ca -0.36 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.73 1m2a h PRO 18 Cb 1.16 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1m2a h PRO 18 CO 0.94 0.21 -0.04 1.04 -0.21 0.00 0.00 178.00 179.94 1m2a n GLN 19 N -5.11 0.85 0.00 1.05 3.00 -1.26 -5.04 117.38 110.87 1m2a n GLN 19 Ca 0.15 -0.20 0.00 0.00 -0.01 0.00 0.00 57.00 56.94 1m2a n GLN 19 Cb 0.48 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 29.23 1m2a n GLN 19 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1m2a n GLY 20 N 1.18 -0.17 3.46 1.08 0.00 -0.55 -4.37 105.19 105.82 1m2a n GLY 20 Ca 0.18 -1.01 -0.11 0.00 0.00 0.00 0.00 46.02 45.07 1m2a n GLY 20 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1m2a s SER 21 N -4.00 -0.51 0.25 1.61 1.04 -1.26 -4.80 113.70 106.03 1m2a s SER 21 Ca 0.00 -0.03 0.03 0.00 0.48 0.00 0.00 55.95 56.44 1m2a s SER 21 Cb 0.00 0.56 0.32 0.00 0.10 0.00 0.00 66.02 67.00 1m2a s SER 21 CO 0.00 -0.92 1.62 0.00 0.98 0.00 0.00 173.24 174.93 1m2a h ALA 23 N 1.23 0.93 0.00 0.00 0.00 -1.26 -0.12 119.26 120.04 1m2a h ALA 23 Ca 0.02 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 1m2a h ALA 23 Cb 0.93 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 1m2a h ALA 23 CO 0.08 0.49 -0.11 0.37 0.00 0.00 0.00 179.25 180.08 1m2a h GLN 24 N 1.01 0.00 -0.54 0.00 4.15 -1.71 -1.17 115.11 116.85 1m2a h GLN 24 Ca 0.25 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.67 1m2a h GLN 24 Cb 0.12 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.81 1m2a h GLN 24 CO -0.03 0.11 0.00 0.54 -1.93 0.00 0.00 178.83 177.52 1m2a n ARG 25 N -3.79 2.44 -0.17 1.69 1.74 -0.57 -4.91 116.66 113.09 1m2a n ARG 25 Ca -0.02 -1.77 0.00 0.00 -0.77 0.00 0.00 57.85 55.29 1m2a n ARG 25 Cb 0.22 -1.52 0.00 0.00 -1.02 0.00 0.00 32.46 30.14 1m2a n ARG 25 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1m2a n GLY 26 N 1.03 0.91 0.23 -0.13 0.00 -0.44 -4.56 105.19 102.23 1m2a n GLY 26 Ca 0.16 -0.11 0.12 0.00 0.00 0.00 0.00 46.02 46.20 1m2a n GLY 26 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1m2a h SER 27 N 0.00 0.00 0.06 1.61 4.64 -1.13 -2.12 113.55 116.62 1m2a h SER 27 Ca 0.00 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.24 1m2a h SER 27 Cb 0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 1m2a h SER 27 CO 0.00 0.14 -0.25 0.03 -0.87 0.00 0.00 176.83 175.88 1m2a h ARG 28 N 0.00 0.31 -0.04 4.77 3.08 -1.82 0.09 114.38 120.78 1m2a h ARG 28 Ca -0.00 -0.11 -0.15 0.00 0.07 0.00 0.00 59.98 59.79 1m2a h ARG 28 Cb 0.75 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.76 1m2a h ARG 28 CO 0.02 0.55 -0.66 0.93 -1.07 0.00 0.00 179.97 179.74 1m2a h GLU 29 N 0.28 0.16 -0.02 0.04 3.07 -1.77 -1.02 114.58 115.32 1m2a h GLU 29 Ca 0.04 -0.12 -0.00 0.00 -0.50 0.00 0.00 59.36 58.78 1m2a h GLU 29 Cb 0.60 0.02 -0.00 0.00 -0.84 0.00 0.00 28.75 28.53 1m2a h GLU 29 CO 0.04 0.76 0.00 0.28 -1.40 0.00 0.00 179.01 178.69 1m2a h VAL 30 N 0.11 1.25 -0.50 3.13 2.07 -1.08 -1.27 116.25 119.96 1m2a h VAL 30 Ca -0.01 -0.74 0.07 0.00 0.82 0.00 0.00 66.70 66.84 1m2a h VAL 30 Cb 1.18 1.70 -0.06 0.00 -1.52 0.00 0.00 31.29 32.59 1m2a h VAL 30 CO 0.10 0.20 0.16 0.15 0.02 0.00 0.00 177.57 178.19 1m2a h PHE 31 N -0.26 0.27 -0.91 1.57 3.57 -0.80 -1.34 116.94 119.05 1m2a h PHE 31 Ca 0.01 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.53 1m2a h PHE 31 Cb 0.32 -0.05 -0.04 0.00 2.79 0.00 0.00 35.95 38.97 1m2a h PHE 31 CO 0.03 0.07 0.57 1.96 -2.23 0.00 0.00 178.31 178.71 1m2a h GLN 32 N 0.32 1.23 -0.64 1.11 4.20 -1.11 -0.36 115.11 119.86 1m2a h GLN 32 Ca 0.24 -0.10 -0.06 0.00 0.06 0.00 0.00 58.65 58.79 1m2a h GLN 32 Cb 0.28 -0.26 -0.03 0.00 0.30 0.00 0.00 27.48 27.77 1m2a h GLN 32 CO -0.27 0.84 0.16 0.00 -0.67 0.00 0.00 178.83 178.90 1m2a h ALA 33 N 1.37 0.84 -0.61 3.87 0.00 -0.66 -0.20 119.26 123.87 1m2a h ALA 33 Ca 0.33 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 1m2a h ALA 33 Cb -0.08 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.44 1m2a h ALA 33 CO -0.06 0.54 0.20 0.74 0.00 0.00 0.00 179.25 180.67 1m2a h PHE 34 N 0.93 0.98 -0.67 0.00 -1.00 -0.75 -1.71 116.94 114.74 1m2a h PHE 34 Ca 0.20 -0.10 0.00 0.00 2.81 0.00 0.00 57.97 60.89 1m2a h PHE 34 Cb 0.35 -0.29 -0.03 0.00 3.61 0.00 0.00 35.95 39.59 1m2a h PHE 34 CO 0.03 0.81 0.42 0.52 -1.61 0.00 0.00 178.31 178.47 1m2a h MET 35 N 0.87 0.89 -0.44 1.51 2.86 -0.60 -1.59 114.93 118.44 1m2a h MET 35 Ca 0.20 -0.07 -0.03 0.00 -2.06 0.00 0.00 59.70 57.74 1m2a h MET 35 Cb 0.28 -0.19 -0.02 0.00 0.06 0.00 0.00 31.60 31.73 1m2a h MET 35 CO -0.01 0.61 0.14 1.49 1.06 0.00 0.00 176.91 180.20 1m2a h GLU 36 N 0.90 0.67 -0.38 1.72 4.81 -0.88 -1.78 114.58 119.65 1m2a h GLU 36 Ca 0.24 -0.14 -0.04 0.00 -0.13 0.00 0.00 59.36 59.29 1m2a h GLU 36 Cb -0.07 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.20 1m2a h GLU 36 CO -0.05 0.65 0.07 0.87 -0.73 0.00 0.00 179.01 179.83 1m2a h LYS 37 N 0.56 0.62 -0.26 1.92 1.79 -1.12 -2.83 116.57 117.25 1m2a h LYS 37 Ca 0.14 -0.16 -0.13 0.00 -2.18 0.00 0.00 60.65 58.32 1m2a h LYS 37 Cb 0.25 -0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 30.82 1m2a h LYS 37 CO -0.01 0.67 -0.37 0.82 -1.08 0.00 0.00 179.45 179.48 1m2a h ILE 38 N 0.46 1.29 0.00 1.86 5.03 -1.18 -2.67 117.51 122.31 1m2a h ILE 38 Ca 0.12 -1.52 0.00 0.00 -0.12 0.00 0.00 64.86 63.34 1m2a h ILE 38 Cb 0.34 1.49 0.00 0.00 -3.03 0.00 0.00 36.82 35.62 1m2a h ILE 38 CO 0.00 0.48 0.00 1.56 -0.68 0.00 0.00 178.15 179.52 1m2a h GLN 39 N 0.50 0.00 -0.41 2.37 4.20 -1.26 -3.03 115.11 117.47 1m2a h GLN 39 Ca 0.05 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.76 1m2a h GLN 39 Cb 0.87 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.65 1m2a h GLN 39 CO 0.07 0.00 0.00 0.25 -0.67 0.00 0.00 178.83 178.48 1m2a n THR 40 N -3.03 0.95 -4.06 -0.54 -2.24 -1.08 -4.89 114.28 99.40 1m2a n THR 40 Ca 0.02 -0.97 -0.33 0.00 -2.27 0.00 0.00 64.05 60.50 1m2a n THR 40 Cb 0.38 0.54 -0.15 0.00 -2.10 0.00 0.00 70.33 69.00 1m2a n THR 40 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1m2a s ASP 41 N -1.01 4.14 0.23 3.42 2.15 -1.02 -5.01 116.67 119.57 1m2a s ASP 41 Ca 0.28 -1.16 -0.07 0.00 0.43 0.00 0.00 52.55 52.04 1m2a s ASP 41 Cb 0.15 -1.55 0.39 0.00 -0.30 0.00 0.00 42.92 41.61 1m2a s ASP 41 CO 0.20 -0.14 1.71 -0.65 -0.17 0.00 0.00 175.17 176.12 1m2a h PRO 42 N 7.85 0.34 0.00 4.34 0.11 -1.90 -0.38 132.00 142.35 1m2a h PRO 42 Ca -0.27 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.82 1m2a h PRO 42 Cb 1.07 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.11 1m2a h PRO 42 CO 0.52 0.22 0.00 -0.56 -0.21 0.00 0.00 178.00 177.97 1m2a h GLN 43 N 0.35 0.00 0.02 1.05 3.07 -1.95 -3.26 115.11 114.38 1m2a h GLN 43 Ca 0.37 0.00 -0.34 0.00 0.09 0.00 0.00 58.65 58.77 1m2a h GLN 43 Cb 0.57 0.00 -0.06 0.00 0.08 0.00 0.00 27.48 28.08 1m2a h GLN 43 CO -0.42 0.00 -2.08 1.28 0.09 0.00 0.00 178.83 177.70 1m2a n LEU 44 N -3.10 1.05 -0.27 0.06 4.77 -0.89 -4.31 117.00 114.32 1m2a n LEU 44 Ca 0.03 0.18 0.16 0.00 -0.03 0.00 0.00 56.01 56.34 1m2a n LEU 44 Cb 0.45 -0.02 0.44 0.00 -2.33 0.00 0.00 43.42 41.96 1m2a n LEU 44 CO 0.31 0.56 1.22 0.15 -1.33 0.00 0.00 177.39 178.30 1m2a h PHE 45 N 0.01 0.71 -0.07 -1.77 3.57 -1.03 -0.63 116.94 117.73 1m2a h PHE 45 Ca -0.43 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.09 1m2a h PHE 45 Cb 2.09 -0.22 0.00 0.00 2.79 0.00 0.00 35.95 40.61 1m2a h PHE 45 CO 0.01 0.21 0.00 -1.33 -2.23 0.00 0.00 178.31 174.97 1m2a n MET 46 N -4.57 2.04 -0.04 1.11 2.81 -1.25 -4.34 117.12 112.87 1m2a n MET 46 Ca 0.19 -1.52 0.00 0.00 -1.81 0.00 0.00 57.70 54.57 1m2a n MET 46 Cb 0.61 -1.47 0.00 0.00 -0.71 0.00 0.00 33.22 31.65 1m2a n MET 46 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 1m2a n THR 47 N 0.82 0.32 -3.93 2.03 -2.24 -0.53 -5.07 114.28 105.69 1m2a n THR 47 Ca 0.17 -0.34 -0.13 0.00 -2.27 0.00 0.00 64.05 61.48 1m2a n THR 47 Cb 0.48 0.79 -0.14 0.00 -2.10 0.00 0.00 70.33 69.36 1m2a n THR 47 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1m2a s THR 48 N -0.36 0.09 -0.04 4.28 2.01 -0.36 -1.13 115.64 120.13 1m2a s THR 48 Ca 0.01 -0.04 0.05 0.00 0.31 0.00 0.00 61.69 62.02 1m2a s THR 48 Cb 0.01 -0.09 -0.01 0.00 0.01 0.00 0.00 72.50 72.43 1m2a s THR 48 CO 0.00 0.03 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.08 1m2a s VAL 49 N 0.03 1.56 -0.14 3.82 1.01 -0.70 -4.81 120.40 121.17 1m2a s VAL 49 Ca -0.00 -0.80 -0.00 0.00 0.00 0.00 0.00 61.98 61.18 1m2a s VAL 49 Cb -0.01 -1.33 -0.01 0.00 0.00 0.00 0.00 36.38 35.03 1m2a s VAL 49 CO -0.00 0.44 -0.14 -0.63 0.00 0.00 0.00 175.10 174.78 1m2a s ILE 50 N -0.09 2.90 -0.05 2.22 -1.09 -1.26 -0.24 121.20 123.59 1m2a s ILE 50 Ca -0.02 -0.70 0.02 0.00 -2.23 0.00 0.00 60.65 57.72 1m2a s ILE 50 Cb -0.11 -2.22 0.02 0.00 -1.58 0.00 0.00 42.46 38.56 1m2a s ILE 50 CO 0.02 0.52 -0.08 -0.89 -1.23 0.00 0.00 174.94 173.28 1m2a s THR 51 N 0.56 0.79 0.22 2.92 2.01 0.22 -4.99 115.64 117.37 1m2a s THR 51 Ca -0.09 -0.29 -0.19 0.00 0.31 0.00 0.00 61.69 61.43 1m2a s THR 51 Cb -0.16 -0.75 -0.08 0.00 0.01 0.00 0.00 72.50 71.52 1m2a s THR 51 CO 0.04 0.27 0.72 -2.16 -0.69 0.00 0.00 174.62 172.80 1m2a s PRO 52 N 0.67 4.24 0.26 4.92 0.04 -1.26 -1.36 135.00 142.50 1m2a s PRO 52 Ca -0.11 0.86 0.01 0.00 0.04 0.00 0.00 61.00 61.80 1m2a s PRO 52 Cb -0.14 -2.88 -0.05 0.00 0.04 0.00 0.00 34.50 31.48 1m2a s PRO 52 CO 0.02 0.39 0.11 0.95 0.04 0.00 0.00 177.00 178.51 1m2a s THR 53 N -1.52 0.44 0.69 1.26 -4.23 0.30 -4.87 115.64 107.70 1m2a s THR 53 Ca 0.43 -2.00 -0.10 0.00 -1.18 0.00 0.00 61.69 58.84 1m2a s THR 53 Cb -0.17 -2.60 0.15 0.00 1.34 0.00 0.00 72.50 71.23 1m2a s THR 53 CO 0.21 0.00 0.94 0.61 -0.54 0.00 0.00 174.62 175.83 1m2a n GLY 54 N -0.45 -0.93 3.59 3.99 0.00 -1.26 -0.48 105.19 109.65 1m2a n GLY 54 Ca 0.00 -1.77 -0.46 0.00 0.00 0.00 0.00 46.02 43.79 1m2a n GLY 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1m2a n MET 56 N 1.21 2.29 -3.25 0.00 2.81 -1.26 -4.99 117.12 113.94 1m2a n MET 56 Ca 0.12 -2.91 -0.19 0.00 -1.81 0.00 0.00 57.70 52.91 1m2a n MET 56 Cb 0.29 -1.77 0.05 0.00 -0.71 0.00 0.00 33.22 31.08 1m2a n MET 56 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1m2a n ASN 57 N -0.86 -5.41 -2.77 7.83 4.13 -1.26 -4.89 115.26 112.02 1m2a n ASN 57 Ca 0.24 -0.38 -0.02 0.00 1.68 0.00 0.00 54.58 56.10 1m2a n ASN 57 Cb 0.89 -4.08 0.07 0.00 -1.54 0.00 0.00 39.78 35.12 1m2a n ASN 57 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1m2a n ALA 58 N -4.18 2.70 -0.31 5.41 0.00 -1.26 -5.00 120.51 117.86 1m2a n ALA 58 Ca -0.02 -2.30 0.05 0.00 0.00 0.00 0.00 53.44 51.18 1m2a n ALA 58 Cb 0.56 -0.88 0.20 0.00 0.00 0.00 0.00 19.45 19.33 1m2a n ALA 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1m2a h MET 60 N 0.80 0.00 -0.61 0.00 2.86 -1.95 -1.24 114.93 114.79 1m2a h MET 60 Ca 0.44 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.08 1m2a h MET 60 Cb 0.48 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.14 1m2a h MET 60 CO -0.28 0.00 0.00 -1.33 1.06 0.00 0.00 176.91 176.36 1m2a n MET 61 N -3.05 4.58 -1.59 1.72 2.81 0.11 -4.98 117.12 116.71 1m2a n MET 61 Ca -0.01 -3.05 -0.31 0.00 -1.81 0.00 0.00 57.70 52.52 1m2a n MET 61 Cb 0.17 -2.17 0.06 0.00 -0.71 0.00 0.00 33.22 30.57 1m2a n MET 61 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 1m2a s GLY 62 N -0.79 1.66 0.27 3.03 0.00 -0.47 0.82 107.32 111.83 1m2a s GLY 62 Ca 0.53 -0.01 -0.29 0.00 0.00 0.00 0.00 44.72 44.95 1m2a s GLY 62 CO 0.18 0.33 1.32 -4.14 0.00 0.00 0.00 173.10 170.78 1m2a s PRO 63 N -5.09 4.37 -0.18 2.90 0.02 -1.26 -3.61 135.00 132.16 1m2a s PRO 63 Ca 0.58 2.15 -0.10 0.00 0.02 0.00 0.00 61.00 63.66 1m2a s PRO 63 Cb -0.14 -3.13 -0.05 0.00 0.02 0.00 0.00 34.50 31.21 1m2a s PRO 63 CO 0.55 -0.22 0.14 0.08 -0.33 0.00 0.00 177.00 177.22 1m2a s VAL 64 N -0.54 5.42 -0.04 3.83 1.01 -1.26 -2.29 120.40 126.53 1m2a s VAL 64 Ca 0.53 0.21 0.02 0.00 0.00 0.00 0.00 61.98 62.74 1m2a s VAL 64 Cb -0.39 -3.46 0.01 0.00 0.00 0.00 0.00 36.38 32.54 1m2a s VAL 64 CO 0.46 0.47 -0.08 -0.69 0.00 0.00 0.00 175.10 175.26 1m2a s VAL 65 N 0.10 0.76 -0.04 2.92 1.01 -0.83 -1.99 120.40 122.32 1m2a s VAL 65 Ca 0.10 -0.30 0.06 0.00 0.00 0.00 0.00 61.98 61.84 1m2a s VAL 65 Cb -0.11 -0.71 -0.01 0.00 0.00 0.00 0.00 36.38 35.55 1m2a s VAL 65 CO -0.01 0.26 -0.22 -0.69 0.00 0.00 0.00 175.10 174.44 1m2a s VAL 66 N 0.52 1.78 -0.17 2.92 1.01 -0.03 0.05 120.40 126.48 1m2a s VAL 66 Ca -0.08 -0.94 -0.00 0.00 0.00 0.00 0.00 61.98 60.96 1m2a s VAL 66 Cb -0.12 -1.50 0.00 0.00 0.00 0.00 0.00 36.38 34.77 1m2a s VAL 66 CO 0.01 0.50 -0.15 -0.69 0.00 0.00 0.00 175.10 174.77 1m2a s VAL 67 N -0.29 2.58 0.26 2.92 1.01 0.56 -0.62 120.40 126.82 1m2a s VAL 67 Ca 0.02 -0.78 0.10 0.00 0.00 0.00 0.00 61.98 61.32 1m2a s VAL 67 Cb -0.11 -2.10 -0.04 0.00 0.00 0.00 0.00 36.38 34.13 1m2a s VAL 67 CO 0.01 0.51 -0.07 -0.31 0.00 0.00 0.00 175.10 175.24 1m2a s TYR 68 N 1.06 2.56 -1.58 5.22 4.12 0.36 0.07 117.35 129.17 1m2a s TYR 68 Ca -0.01 -0.26 0.24 0.00 0.02 0.00 0.00 57.07 57.07 1m2a s TYR 68 Cb -0.15 -1.14 1.29 0.00 -1.52 0.00 0.00 41.96 40.44 1m2a s TYR 68 CO -0.04 0.64 1.81 -0.35 0.02 0.00 0.00 175.55 177.63 1m2a n PRO 69 N -0.70 0.46 -0.17 -1.71 -0.04 -1.26 -0.43 135.00 131.14 1m2a n PRO 69 Ca -0.07 0.04 0.16 0.00 -0.04 0.00 0.00 63.50 63.59 1m2a n PRO 69 Cb 0.59 -1.50 0.50 0.00 -0.04 0.00 0.00 33.50 33.05 1m2a n PRO 69 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1m2a h ASP 70 N 0.00 0.40 -0.36 3.54 3.45 -1.93 -3.46 116.42 118.05 1m2a h ASP 70 Ca 0.00 0.02 -0.06 0.00 0.43 0.00 0.00 57.03 57.42 1m2a h ASP 70 Cb 0.17 -0.06 -0.01 0.00 -0.56 0.00 0.00 39.33 38.88 1m2a h ASP 70 CO 0.00 0.20 -0.07 0.61 -1.57 0.00 0.00 179.24 178.41 1m2a n GLY 71 N -1.52 0.32 3.67 2.75 0.00 0.11 -5.02 105.19 105.50 1m2a n GLY 71 Ca 0.15 -0.80 -0.40 0.00 0.00 0.00 0.00 46.02 44.96 1m2a n GLY 71 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1m2a s VAL 72 N -2.14 5.00 -0.13 1.61 1.01 -0.71 -4.10 120.40 120.95 1m2a s VAL 72 Ca 0.00 1.28 -0.03 0.00 0.00 0.00 0.00 61.98 63.23 1m2a s VAL 72 Cb 0.00 -3.98 -0.03 0.00 0.00 0.00 0.00 36.38 32.37 1m2a s VAL 72 CO 0.00 0.12 -0.03 0.26 0.00 0.00 0.00 175.10 175.45 1m2a s TRP 73 N 1.78 3.06 0.03 5.22 0.52 0.23 -0.32 118.94 129.46 1m2a s TRP 73 Ca 0.31 -0.14 0.07 0.00 0.02 0.00 0.00 56.10 56.37 1m2a s TRP 73 Cb -0.16 -1.90 -0.03 0.00 -1.15 0.00 0.00 33.47 30.22 1m2a s TRP 73 CO 0.11 0.12 -0.20 0.71 0.02 0.00 0.00 176.95 177.72 1m2a s TYR 74 N -0.02 2.52 0.19 -1.98 1.51 0.11 -0.43 117.35 119.25 1m2a s TYR 74 Ca 0.02 -0.28 0.07 0.00 -1.01 0.00 0.00 57.07 55.86 1m2a s TYR 74 Cb -0.13 -1.47 -0.05 0.00 -0.11 0.00 0.00 41.96 40.21 1m2a s TYR 74 CO 0.02 0.21 -0.14 0.20 -1.11 0.00 0.00 175.55 174.73 1m2a s GLY 75 N -1.31 1.36 -1.48 0.71 0.00 -0.20 -1.97 107.32 104.44 1m2a s GLY 75 Ca 0.14 -1.61 -0.07 0.00 0.00 0.00 0.00 44.72 43.17 1m2a s GLY 75 CO 0.04 -1.70 0.74 -1.06 0.00 0.00 0.00 173.10 171.12 1m2a n GLN 76 N -0.27 -5.31 -2.60 2.90 6.02 0.24 -4.83 117.38 113.53 1m2a n GLN 76 Ca -0.09 0.79 -0.42 0.00 -0.01 0.00 0.00 57.00 57.27 1m2a n GLN 76 Cb 0.60 -5.67 -0.03 0.00 1.02 0.00 0.00 30.24 26.16 1m2a n GLN 76 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1m2a s VAL 77 N -3.18 4.58 0.20 5.09 1.01 -1.01 -4.76 120.40 122.34 1m2a s VAL 77 Ca 0.41 1.87 0.02 0.00 0.00 0.00 0.00 61.98 64.28 1m2a s VAL 77 Cb -0.19 -4.20 -0.04 0.00 0.00 0.00 0.00 36.38 31.95 1m2a s VAL 77 CO 0.51 0.03 0.36 -0.54 0.00 0.00 0.00 175.10 175.45 1m2a s LYS 78 N 1.91 3.47 0.44 2.72 1.02 -1.26 -4.25 119.74 123.80 1m2a s LYS 78 Ca 0.52 -0.51 0.17 0.00 0.02 0.00 0.00 55.97 56.17 1m2a s LYS 78 Cb -0.21 -2.88 1.11 0.00 -0.52 0.00 0.00 37.83 35.33 1m2a s LYS 78 CO 0.21 0.43 1.93 -1.35 -0.92 0.00 0.00 175.35 175.65 1m2a h PRO 79 N 1.79 0.34 0.00 -1.68 0.11 -1.88 0.44 132.00 131.13 1m2a h PRO 79 Ca -0.49 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1m2a h PRO 79 Cb 1.20 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1m2a h PRO 79 CO 0.66 0.23 0.00 0.93 -0.21 0.00 0.00 178.00 179.61 1m2a h GLU 80 N 0.35 0.00 0.00 1.05 3.07 -1.97 -2.02 114.58 115.06 1m2a h GLU 80 Ca 0.36 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.22 1m2a h GLU 80 Cb 0.89 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.80 1m2a h GLU 80 CO -0.10 0.00 -0.53 -0.25 -1.40 0.00 0.00 179.01 176.73 1m2a n ASP 81 N -2.88 0.54 -0.34 1.42 8.00 0.14 -4.16 116.55 119.28 1m2a n ASP 81 Ca -0.00 -0.06 -0.03 0.00 0.71 0.00 0.00 54.79 55.41 1m2a n ASP 81 Cb 0.20 0.19 0.11 0.00 -0.02 0.00 0.00 41.12 41.60 1m2a n ASP 81 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 1m2a h VAL 82 N 0.00 1.26 -0.91 2.53 2.07 -1.37 -2.01 116.25 117.83 1m2a h VAL 82 Ca 0.00 -0.55 -0.00 0.00 0.82 0.00 0.00 66.70 66.97 1m2a h VAL 82 Cb 0.60 -0.07 -0.04 0.00 -1.52 0.00 0.00 31.29 30.26 1m2a h VAL 82 CO 0.00 0.27 0.57 0.44 0.02 0.00 0.00 177.57 178.87 1m2a h ASP 83 N 1.29 1.08 -0.42 0.57 3.32 -1.77 -0.04 116.42 120.44 1m2a h ASP 83 Ca 0.34 -0.05 -0.10 0.00 0.02 0.00 0.00 57.03 57.23 1m2a h ASP 83 Cb -0.06 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.21 1m2a h ASP 83 CO -0.06 0.81 -0.14 -0.08 -1.72 0.00 0.00 179.24 178.05 1m2a h GLU 84 N 1.24 0.84 -0.63 3.56 4.81 -1.62 -0.65 114.58 122.13 1m2a h GLU 84 Ca 0.33 -0.34 -0.01 0.00 -0.13 0.00 0.00 59.36 59.21 1m2a h GLU 84 Cb -0.08 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.23 1m2a h GLU 84 CO -0.06 0.97 0.35 0.82 -0.73 0.00 0.00 179.01 180.35 1m2a h ILE 85 N 0.66 1.20 -0.17 2.32 2.04 -0.95 0.97 117.51 123.58 1m2a h ILE 85 Ca 0.10 -0.51 -0.00 0.00 1.00 0.00 0.00 64.86 65.44 1m2a h ILE 85 Cb 0.68 0.39 -0.01 0.00 -0.74 0.00 0.00 36.82 37.14 1m2a h ILE 85 CO 0.05 0.22 0.09 0.58 0.00 0.00 0.00 178.15 179.09 1m2a h VAL 86 N 0.87 1.11 0.20 1.67 2.07 -0.75 -0.60 116.25 120.81 1m2a h VAL 86 Ca 0.22 -0.30 -0.01 0.00 0.82 0.00 0.00 66.70 67.43 1m2a h VAL 86 Cb 0.05 0.99 0.00 0.00 -1.52 0.00 0.00 31.29 30.81 1m2a h VAL 86 CO -0.04 0.10 -0.10 -0.33 0.02 0.00 0.00 177.57 177.23 1m2a h GLU 87 N 0.17 -0.26 0.11 1.57 4.39 -0.96 -0.49 114.58 119.12 1m2a h GLU 87 Ca 0.06 0.02 -0.29 0.00 0.34 0.00 0.00 59.36 59.48 1m2a h GLU 87 Cb 0.08 0.06 0.03 0.00 -0.10 0.00 0.00 28.75 28.82 1m2a h GLU 87 CO -0.01 0.10 -1.23 0.87 -1.16 0.00 0.00 179.01 177.58 1m2a h LYS 88 N -0.66 0.60 0.00 2.33 1.79 -0.88 -0.85 116.57 118.90 1m2a h LYS 88 Ca -0.03 -0.79 -0.24 0.00 -2.18 0.00 0.00 60.65 57.41 1m2a h LYS 88 Cb 0.47 0.26 -0.04 0.00 -1.58 0.00 0.00 32.23 31.35 1m2a h LYS 88 CO 0.04 1.36 -1.74 1.58 -1.08 0.00 0.00 179.45 179.61 1m2a n HIS 89 N -3.77 0.09 -0.26 -1.35 -0.00 -0.37 -1.12 115.22 108.45 1m2a n HIS 89 Ca -0.13 0.04 -0.07 0.00 0.46 0.00 0.00 57.72 58.02 1m2a n HIS 89 Cb 0.98 -0.78 0.05 0.00 -0.12 0.00 0.00 29.99 30.12 1m2a n HIS 89 CO 0.00 0.00 0.00 -0.07 0.46 0.00 0.00 176.34 176.73 1m2a h LEU 90 N -1.00 1.07 0.02 0.27 3.38 -0.99 0.56 115.31 118.62 1m2a h LEU 90 Ca -0.36 -0.22 -0.36 0.00 0.09 0.00 0.00 57.88 57.04 1m2a h LEU 90 Cb 1.29 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 41.71 1m2a h LEU 90 CO -0.22 1.00 -1.98 0.29 0.09 0.00 0.00 178.44 177.63 1m2a n LYS 91 N -4.26 0.61 0.15 1.13 5.02 -0.21 -4.60 118.16 116.00 1m2a n LYS 91 Ca 0.06 0.37 0.13 0.00 -2.02 0.00 0.00 58.31 56.85 1m2a n LYS 91 Cb 0.24 -1.62 0.42 0.00 -0.02 0.00 0.00 35.03 34.04 1m2a n LYS 91 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 1m2a h GLY 92 N -0.38 0.00 0.00 0.72 0.00 -1.00 -3.48 103.07 98.94 1m2a h GLY 92 Ca -0.52 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.81 1m2a h GLY 92 CO -0.24 0.00 0.00 0.61 0.00 0.00 0.00 176.54 176.91 1m2a n GLY 93 N 0.80 0.55 3.08 4.60 0.00 0.19 -4.86 105.19 109.54 1m2a n GLY 93 Ca 0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.74 1m2a n GLY 93 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1m2a s GLU 94 N -0.16 2.20 0.54 1.61 2.02 -0.27 -4.94 118.70 119.70 1m2a s GLU 94 Ca 0.00 -1.39 -0.21 0.00 0.02 0.00 0.00 54.97 53.39 1m2a s GLU 94 Cb 0.00 -2.95 -0.06 0.00 0.10 0.00 0.00 34.13 31.22 1m2a s GLU 94 CO 0.00 -0.61 1.10 -2.30 0.02 0.00 0.00 175.26 173.47 1m2a n PRO 95 N 4.44 1.27 -2.51 0.39 -0.02 -1.26 -3.03 135.00 134.28 1m2a n PRO 95 Ca -0.12 0.47 -0.40 0.00 -2.02 0.00 0.00 63.50 61.43 1m2a n PRO 95 Cb 0.42 -2.26 -0.03 0.00 -0.02 0.00 0.00 33.50 31.61 1m2a n PRO 95 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1m2a s VAL 96 N -1.38 3.80 0.27 -1.45 1.01 -1.26 -4.88 120.40 116.51 1m2a s VAL 96 Ca 0.71 -0.31 -0.00 0.00 0.00 0.00 0.00 61.98 62.38 1m2a s VAL 96 Cb -0.45 -4.91 0.28 0.00 0.00 0.00 0.00 36.38 31.30 1m2a s VAL 96 CO 0.50 -1.82 1.67 -0.08 0.00 0.00 0.00 175.10 175.38 1m2a h GLU 97 N 10.15 0.26 -0.87 2.72 4.81 -1.97 -1.01 114.58 128.67 1m2a h GLU 97 Ca 0.02 -0.02 0.25 0.00 -0.13 0.00 0.00 59.36 59.48 1m2a h GLU 97 Cb 1.03 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 30.31 1m2a h GLU 97 CO 1.36 0.17 0.63 -0.09 -0.73 0.00 0.00 179.01 180.36 1m2a h ARG 98 N 0.27 0.00 -0.01 1.92 2.43 -2.03 -2.23 114.38 114.73 1m2a h ARG 98 Ca 0.51 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.68 1m2a h ARG 98 Cb 0.96 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.51 1m2a h ARG 98 CO -0.58 0.00 -0.07 1.28 -1.51 0.00 0.00 179.97 179.09 1m2a n LEU 99 N -4.25 1.72 -4.74 3.80 4.77 -0.39 -4.98 117.00 112.93 1m2a n LEU 99 Ca 0.18 -0.93 -0.41 0.00 -0.03 0.00 0.00 56.01 54.82 1m2a n LEU 99 Cb 0.95 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 42.00 1m2a n LEU 99 CO 0.38 0.33 0.88 -0.69 -1.33 0.00 0.00 177.39 176.96 1m2a s VAL 100 N -1.08 3.54 -0.01 4.08 1.01 -0.84 -1.04 120.40 126.06 1m2a s VAL 100 Ca 0.12 1.32 0.08 0.00 0.00 0.00 0.00 61.98 63.49 1m2a s VAL 100 Cb 0.09 -3.84 -0.12 0.00 0.00 0.00 0.00 36.38 32.51 1m2a s VAL 100 CO 0.18 0.22 0.17 2.30 0.00 0.00 0.00 175.10 177.97 1m2a n ILE 101 N 2.36 0.00 -3.50 2.22 -5.35 0.43 -4.83 119.36 110.70 1m2a n ILE 101 Ca 0.04 -0.18 -0.13 0.00 -0.27 0.00 0.00 62.75 62.21 1m2a n ILE 101 Cb 0.45 0.31 -0.04 0.00 -1.74 0.00 0.00 39.64 38.62 1m2a n ILE 101 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 1m2a s SER 102 N -2.89 -0.54 0.00 7.28 0.15 -1.09 -5.00 113.70 111.62 1m2a s SER 102 Ca -0.03 0.33 0.00 0.00 0.70 0.00 0.00 55.95 56.95 1m2a s SER 102 Cb 0.05 0.50 0.00 0.00 -1.71 0.00 0.00 66.02 64.85 1m2a s SER 102 CO 0.32 -0.68 0.26 0.29 1.20 0.00 0.00 173.24 174.63