#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vyr s GLN 26 N 0.00 3.08 0.07 1.20 -1.52 -1.26 -4.42 119.66 116.81 2vyr s GLN 26 Ca 0.00 -0.50 0.06 0.00 -1.95 0.00 0.00 55.36 52.97 2vyr s GLN 26 Cb 0.00 -2.87 -0.03 0.00 -0.22 0.00 0.00 33.01 29.90 2vyr s GLN 26 CO 0.00 0.64 -0.15 0.14 -0.25 0.00 0.00 175.29 175.66 2vyr s VAL 27 N -1.24 1.23 -0.36 1.09 -7.23 0.12 -2.25 120.40 111.77 2vyr s VAL 27 Ca 0.24 -1.26 -0.13 0.00 -1.81 0.00 0.00 61.98 59.03 2vyr s VAL 27 Cb -0.12 -1.15 0.00 0.00 0.56 0.00 0.00 36.38 35.67 2vyr s VAL 27 CO 0.16 -0.12 0.24 -0.60 -0.31 0.00 0.00 175.10 174.46 2vyr s ARG 28 N -1.59 3.23 0.09 4.82 3.52 0.59 -1.71 118.95 127.90 2vyr s ARG 28 Ca 0.01 -0.82 -0.31 0.00 -0.13 0.00 0.00 55.73 54.48 2vyr s ARG 28 Cb -0.09 -3.80 -0.06 0.00 -1.56 0.00 0.00 34.95 29.43 2vyr s ARG 28 CO 0.02 -0.56 1.23 -2.14 -0.81 0.00 0.00 175.30 173.04 2vyr s PRO 29 N 1.67 4.43 0.77 5.12 0.02 -1.26 -0.76 135.00 144.98 2vyr s PRO 29 Ca 0.05 1.84 -0.14 0.00 0.02 0.00 0.00 61.00 62.77 2vyr s PRO 29 Cb -0.18 -3.31 0.06 0.00 0.02 0.00 0.00 34.50 31.09 2vyr s PRO 29 CO 0.09 -0.25 1.19 0.15 -0.33 0.00 0.00 177.00 177.85 2vyr s LYS 30 N 0.82 1.93 0.26 5.54 1.02 -0.02 -4.35 119.74 124.94 2vyr s LYS 30 Ca 0.58 1.67 -0.04 0.00 0.02 0.00 0.00 55.97 58.21 2vyr s LYS 30 Cb -0.31 -1.82 0.53 0.00 -0.52 0.00 0.00 37.83 35.71 2vyr s LYS 30 CO 0.31 -1.97 1.62 1.25 -0.92 0.00 0.00 175.35 175.64 2vyr h LEU 31 N -0.66 -0.35 -0.62 3.17 5.85 -1.94 0.40 115.31 121.16 2vyr h LEU 31 Ca -0.46 0.22 0.03 0.00 0.84 0.00 0.00 57.88 58.50 2vyr h LEU 31 Cb 1.29 0.37 -0.04 0.00 0.37 0.00 0.00 40.66 42.65 2vyr h LEU 31 CO 0.48 -0.21 0.38 -0.65 -0.34 0.00 0.00 178.44 178.10 2vyr h PRO 32 N 0.10 0.73 -0.21 5.25 0.11 -1.98 0.14 132.00 136.13 2vyr h PRO 32 Ca 0.47 -0.04 -0.12 0.00 0.11 0.00 0.00 66.00 66.41 2vyr h PRO 32 Cb 0.86 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 31.81 2vyr h PRO 32 CO -0.73 0.48 -0.34 1.25 -0.21 0.00 0.00 178.00 178.45 2vyr h LEU 33 N 0.75 0.66 -1.03 2.35 5.85 -1.52 -3.08 115.31 119.29 2vyr h LEU 33 Ca 0.25 -0.53 0.13 0.00 0.84 0.00 0.00 57.88 58.57 2vyr h LEU 33 Cb 0.03 -0.19 -0.08 0.00 0.37 0.00 0.00 40.66 40.78 2vyr h LEU 33 CO -0.10 1.06 0.63 0.25 -0.34 0.00 0.00 178.44 179.94 2vyr h LEU 34 N 0.29 0.90 -0.89 2.25 5.85 -0.28 0.12 115.31 123.55 2vyr h LEU 34 Ca 0.02 0.05 -0.05 0.00 0.84 0.00 0.00 57.88 58.74 2vyr h LEU 34 Cb 0.93 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.80 2vyr h LEU 34 CO 0.08 0.47 0.28 0.11 -0.34 0.00 0.00 178.44 179.03 2vyr h LYS 35 N 0.96 1.09 -0.47 1.25 1.57 -0.70 0.91 116.57 121.18 2vyr h LYS 35 Ca 0.50 -0.20 -0.03 0.00 -1.87 0.00 0.00 60.65 59.05 2vyr h LYS 35 Cb 0.53 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.64 2vyr h LYS 35 CO -0.27 0.89 0.16 0.82 -0.57 0.00 0.00 179.45 180.49 2vyr h ILE 36 N 1.06 1.22 -0.36 1.86 2.04 -0.96 -1.71 117.51 120.66 2vyr h ILE 36 Ca 0.24 -0.71 -0.04 0.00 1.00 0.00 0.00 64.86 65.35 2vyr h ILE 36 Cb 0.22 0.80 -0.01 0.00 -0.74 0.00 0.00 36.82 37.09 2vyr h ILE 36 CO -0.02 0.26 0.07 -0.07 0.00 0.00 0.00 178.15 178.39 2vyr h LEU 37 N 0.62 0.57 -1.01 1.44 3.38 -0.57 -2.20 115.31 117.53 2vyr h LEU 37 Ca 0.15 -0.25 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 2vyr h LEU 37 Cb 0.24 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.80 2vyr h LEU 37 CO -0.01 0.68 0.50 0.45 0.09 0.00 0.00 178.44 180.15 2vyr h HIS 38 N 0.44 1.16 -0.52 1.13 3.86 -0.76 0.01 115.15 120.46 2vyr h HIS 38 Ca 0.11 -0.01 0.02 0.00 -1.16 0.00 0.00 60.37 59.32 2vyr h HIS 38 Cb 0.35 -0.38 -0.03 0.00 1.06 0.00 0.00 27.41 28.41 2vyr h HIS 38 CO 0.02 0.78 0.34 0.00 0.86 0.00 0.00 177.93 179.94 2vyr h ALA 39 N 1.35 1.68 0.00 2.45 0.00 -1.10 -0.70 119.26 122.94 2vyr h ALA 39 Ca 0.31 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.19 2vyr h ALA 39 Cb -0.02 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.58 2vyr h ALA 39 CO -0.05 0.28 0.00 0.00 0.00 0.00 0.00 179.25 179.48 2vyr n ALA 40 N -2.46 1.89 0.00 0.00 0.00 -0.11 -4.86 120.51 114.96 2vyr n ALA 40 Ca 0.05 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.46 2vyr n ALA 40 Cb 0.09 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.19 2vyr n ALA 40 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2vyr n GLY 41 N 0.49 0.92 3.78 0.00 0.00 -0.27 -4.90 105.19 105.20 2vyr n GLY 41 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 2vyr n GLY 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2vyr s ALA 42 N -2.00 3.53 -0.20 4.61 0.00 -0.60 -4.98 121.76 122.12 2vyr s ALA 42 Ca 0.00 1.48 -0.03 0.00 0.00 0.00 0.00 51.96 53.41 2vyr s ALA 42 Cb 0.00 -3.57 -0.01 0.00 0.00 0.00 0.00 23.12 19.54 2vyr s ALA 42 CO 0.00 -0.95 -0.07 -0.65 0.00 0.00 0.00 175.76 174.10 2vyr s GLN 43 N -2.04 3.35 0.00 0.00 -1.52 -1.26 -4.46 119.66 113.73 2vyr s GLN 43 Ca 0.52 -0.65 0.00 0.00 -1.95 0.00 0.00 55.36 53.28 2vyr s GLN 43 Cb -0.44 -2.92 0.00 0.00 -0.22 0.00 0.00 33.01 29.43 2vyr s GLN 43 CO 0.60 -0.14 0.00 0.41 -0.25 0.00 0.00 175.29 175.91 2vyr n GLY 44 N 4.60 -0.94 0.00 3.09 0.00 -1.26 -4.83 105.19 105.85 2vyr n GLY 44 Ca -0.18 -2.20 0.02 0.00 0.00 0.00 0.00 46.02 43.65 2vyr n GLY 44 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2vyr n GLU 45 N -0.15 5.14 -4.18 1.61 -0.58 -1.26 -5.01 120.64 116.21 2vyr n GLU 45 Ca 0.00 -0.00 -0.16 0.00 -0.42 0.00 0.00 57.16 56.58 2vyr n GLU 45 Cb 0.00 -0.73 -0.14 0.00 -0.57 0.00 0.00 31.44 30.00 2vyr n GLU 45 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2vyr s MET 46 N -1.47 0.50 0.22 3.49 0.23 -1.26 -4.26 119.30 116.74 2vyr s MET 46 Ca 0.01 -0.32 -0.06 0.00 -1.03 0.00 0.00 55.69 54.29 2vyr s MET 46 Cb 0.03 -0.45 -0.02 0.00 -1.53 0.00 0.00 34.83 32.85 2vyr s MET 46 CO 0.17 0.12 0.27 -0.06 -2.03 0.00 0.00 175.02 173.49 2vyr s PHE 47 N -0.38 0.81 0.58 3.16 0.40 -0.69 -4.92 117.98 116.93 2vyr s PHE 47 Ca 0.00 -1.09 -0.06 0.00 -0.60 0.00 0.00 56.93 55.18 2vyr s PHE 47 Cb -0.04 -0.24 -0.00 0.00 0.51 0.00 0.00 43.02 43.25 2vyr s PHE 47 CO -0.00 -0.78 0.90 0.95 0.70 0.00 0.00 175.22 176.99 2vyr s THR 48 N -4.09 3.90 0.30 0.64 -4.23 -1.26 0.16 115.64 111.04 2vyr s THR 48 Ca 0.31 0.10 -0.02 0.00 -1.18 0.00 0.00 61.69 60.91 2vyr s THR 48 Cb 0.04 -3.54 0.24 0.00 1.34 0.00 0.00 72.50 70.57 2vyr s THR 48 CO 0.10 -0.57 1.94 0.58 -0.54 0.00 0.00 174.62 176.13 2vyr h VAL 49 N -0.15 1.21 -0.50 2.29 2.07 -1.96 -1.57 116.25 117.65 2vyr h VAL 49 Ca -0.46 -0.48 -0.09 0.00 0.82 0.00 0.00 66.70 66.49 2vyr h VAL 49 Cb 1.24 0.17 -0.02 0.00 -1.52 0.00 0.00 31.29 31.16 2vyr h VAL 49 CO 0.61 0.23 -0.06 0.11 0.02 0.00 0.00 177.57 178.48 2vyr h LYS 50 N 1.03 0.88 -0.68 1.57 1.57 -1.96 -1.20 116.57 117.78 2vyr h LYS 50 Ca 0.27 -0.28 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2vyr h LYS 50 Cb -0.03 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.17 2vyr h LYS 50 CO -0.05 0.91 0.43 0.93 -0.57 0.00 0.00 179.45 181.10 2vyr h GLU 51 N 0.80 0.91 -0.31 3.15 5.08 -1.85 -0.69 114.58 121.67 2vyr h GLU 51 Ca 0.14 -0.07 0.03 0.00 -1.00 0.00 0.00 59.36 58.46 2vyr h GLU 51 Cb 0.56 -0.20 -0.03 0.00 0.50 0.00 0.00 28.75 29.58 2vyr h GLU 51 CO 0.03 0.63 0.12 0.28 -1.00 0.00 0.00 179.01 179.07 2vyr h VAL 52 N 0.92 0.93 -0.40 3.13 2.07 -0.72 -2.16 116.25 120.02 2vyr h VAL 52 Ca 0.25 -0.09 -0.15 0.00 0.82 0.00 0.00 66.70 67.52 2vyr h VAL 52 Cb -0.07 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 30.34 2vyr h VAL 52 CO -0.05 0.05 -0.35 0.24 0.02 0.00 0.00 177.57 177.48 2vyr h MET 53 N 0.26 0.94 -0.38 1.57 2.86 -1.11 -1.37 114.93 117.70 2vyr h MET 53 Ca 0.14 -0.47 0.08 0.00 -2.06 0.00 0.00 59.70 57.38 2vyr h MET 53 Cb 0.10 0.01 -0.07 0.00 0.06 0.00 0.00 31.60 31.69 2vyr h MET 53 CO -0.13 1.13 -0.09 1.25 1.06 0.00 0.00 176.91 180.13 2vyr h HIS 54 N 0.78 -0.19 -0.25 -0.22 6.17 -0.96 -0.68 115.15 119.80 2vyr h HIS 54 Ca 0.07 0.03 -0.09 0.00 0.71 0.00 0.00 60.37 61.09 2vyr h HIS 54 Cb 0.94 0.14 -0.01 0.00 2.52 0.00 0.00 27.41 31.00 2vyr h HIS 54 CO 0.06 -0.16 -0.24 1.88 0.71 0.00 0.00 177.93 180.19 2vyr h TYR 55 N 0.01 0.53 -0.33 5.26 0.05 -1.20 -2.07 116.97 119.21 2vyr h TYR 55 Ca 0.18 -0.11 0.03 0.00 0.05 0.00 0.00 58.73 58.88 2vyr h TYR 55 Cb 0.27 -0.13 -0.03 0.00 1.01 0.00 0.00 36.73 37.85 2vyr h TYR 55 CO -0.33 0.68 0.16 1.25 -1.05 0.00 0.00 178.16 178.87 2vyr h LEU 56 N 0.43 0.23 -0.62 3.88 5.85 -0.68 0.10 115.31 124.50 2vyr h LEU 56 Ca 0.06 0.02 0.03 0.00 0.84 0.00 0.00 57.88 58.83 2vyr h LEU 56 Cb 0.65 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.61 2vyr h LEU 56 CO 0.05 0.17 0.38 1.23 -0.34 0.00 0.00 178.44 179.93 2vyr h GLY 57 N 0.33 0.88 0.95 3.75 0.00 -0.87 -0.81 103.07 107.30 2vyr h GLY 57 Ca 0.14 -0.28 0.02 0.00 0.00 0.00 0.00 47.33 47.21 2vyr h GLY 57 CO -0.11 0.24 0.50 1.46 0.00 0.00 0.00 176.54 178.64 2vyr h GLN 58 N 0.74 0.98 0.04 4.80 1.08 -1.02 -1.60 115.11 120.13 2vyr h GLN 58 Ca 0.25 -0.06 -0.00 0.00 -1.45 0.00 0.00 58.65 57.39 2vyr h GLN 58 Cb 0.02 -0.22 0.00 0.00 -0.05 0.00 0.00 27.48 27.23 2vyr h GLN 58 CO -0.10 0.65 -0.02 -0.92 -0.95 0.00 0.00 178.83 177.49 2vyr h TYR 59 N 1.01 -0.05 -0.70 2.96 3.20 0.13 -1.39 116.97 122.11 2vyr h TYR 59 Ca 0.29 -0.00 0.04 0.00 3.14 0.00 0.00 58.73 62.20 2vyr h TYR 59 Cb -0.06 0.02 -0.05 0.00 1.54 0.00 0.00 36.73 38.18 2vyr h TYR 59 CO -0.02 -0.03 0.43 0.82 -1.64 0.00 0.00 178.16 177.71 2vyr h ILE 60 N -0.06 1.06 0.53 1.81 2.04 -1.05 -2.42 117.51 119.42 2vyr h ILE 60 Ca -0.01 -0.28 -0.03 0.00 1.00 0.00 0.00 64.86 65.55 2vyr h ILE 60 Cb 0.04 0.16 0.01 0.00 -0.74 0.00 0.00 36.82 36.29 2vyr h ILE 60 CO 0.01 0.15 -0.26 -0.03 0.00 0.00 0.00 178.15 178.02 2vyr h MET 61 N 0.82 -0.69 -0.57 2.37 4.05 -0.97 -1.12 114.93 118.82 2vyr h MET 61 Ca 0.29 0.05 -0.07 0.00 -0.28 0.00 0.00 59.70 59.69 2vyr h MET 61 Cb 0.08 0.16 -0.02 0.00 -0.80 0.00 0.00 31.60 31.01 2vyr h MET 61 CO -0.13 -0.39 0.08 0.28 0.23 0.00 0.00 176.91 176.98 2vyr h VAL 62 N -0.98 1.25 0.00 -5.77 2.07 -1.30 -0.92 116.25 110.59 2vyr h VAL 62 Ca -0.07 -0.96 0.00 0.00 0.82 0.00 0.00 66.70 66.48 2vyr h VAL 62 Cb 0.63 0.73 0.00 0.00 -1.52 0.00 0.00 31.29 31.12 2vyr h VAL 62 CO 0.12 0.35 0.00 0.29 0.02 0.00 0.00 177.57 178.35 2vyr n LYS 63 N -4.23 0.73 -3.78 1.57 5.02 -0.91 -4.92 118.16 111.65 2vyr n LYS 63 Ca 0.04 0.01 -0.23 0.00 -2.02 0.00 0.00 58.31 56.10 2vyr n LYS 63 Cb 0.28 -1.50 0.02 0.00 -0.02 0.00 0.00 35.03 33.81 2vyr n LYS 63 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 2vyr n GLN 64 N -1.10 -4.71 0.00 1.97 6.02 -0.35 -4.87 117.38 114.33 2vyr n GLN 64 Ca 0.19 0.58 0.14 0.00 -0.01 0.00 0.00 57.00 57.89 2vyr n GLN 64 Cb 0.15 -5.11 0.52 0.00 1.02 0.00 0.00 30.24 26.81 2vyr n GLN 64 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 2vyr n LEU 65 N -4.35 0.33 -4.95 1.08 4.77 -0.49 -4.87 117.00 108.51 2vyr n LEU 65 Ca -0.25 0.16 -0.23 0.00 -0.03 0.00 0.00 56.01 55.66 2vyr n LEU 65 Cb 0.66 -0.30 0.02 0.00 -2.33 0.00 0.00 43.42 41.47 2vyr n LEU 65 CO 0.71 0.07 0.35 -0.72 -1.33 0.00 0.00 177.39 176.46 2vyr s TYR 66 N -2.78 3.16 -0.35 -1.77 -0.85 -1.26 0.29 117.35 113.79 2vyr s TYR 66 Ca 0.20 0.27 -0.21 0.00 -0.52 0.00 0.00 57.07 56.80 2vyr s TYR 66 Cb 0.19 -2.48 0.00 0.00 0.38 0.00 0.00 41.96 40.06 2vyr s TYR 66 CO 0.55 -0.54 0.69 0.34 -1.52 0.00 0.00 175.55 175.06 2vyr s ASP 67 N -4.27 6.48 0.57 -0.18 -1.08 -0.62 -4.88 116.67 112.69 2vyr s ASP 67 Ca 0.51 0.25 0.26 0.00 -0.52 0.00 0.00 52.55 53.05 2vyr s ASP 67 Cb -0.10 -2.35 1.59 0.00 -1.46 0.00 0.00 42.92 40.59 2vyr s ASP 67 CO 0.39 -0.63 2.12 -0.61 0.52 0.00 0.00 175.17 176.96 2vyr h GLN 68 N 8.43 0.00 0.00 4.34 4.15 -1.94 0.12 115.11 130.22 2vyr h GLN 68 Ca -0.26 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.16 2vyr h GLN 68 Cb 1.11 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.80 2vyr h GLN 68 CO 0.86 0.00 -0.87 1.04 -1.93 0.00 0.00 178.83 177.93 2vyr n GLN 69 N -4.01 0.34 -3.15 1.69 1.13 -1.26 -4.54 117.38 107.58 2vyr n GLN 69 Ca 0.01 0.05 -0.18 0.00 -1.94 0.00 0.00 57.00 54.94 2vyr n GLN 69 Cb 0.28 -1.66 -0.06 0.00 0.11 0.00 0.00 30.24 28.92 2vyr n GLN 69 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 2vyr n GLU 70 N -2.12 0.32 0.18 -1.09 1.02 0.34 -5.04 120.64 114.25 2vyr n GLU 70 Ca 0.02 -2.74 0.14 0.00 -0.02 0.00 0.00 57.16 54.56 2vyr n GLU 70 Cb 0.45 -1.59 0.56 0.00 -0.02 0.00 0.00 31.44 30.85 2vyr n GLU 70 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 2vyr h GLN 71 N 5.37 0.00 -0.00 3.49 4.20 -1.54 -0.79 115.11 125.85 2vyr h GLN 71 Ca 0.19 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.90 2vyr h GLN 71 Cb 0.99 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.77 2vyr h GLN 71 CO 0.23 0.00 -0.07 -2.39 -0.67 0.00 0.00 178.83 175.93 2vyr n HIS 72 N -2.54 0.00 -3.24 2.96 1.44 -1.26 -4.51 115.22 108.06 2vyr n HIS 72 Ca 0.02 0.00 -0.40 0.00 -2.01 0.00 0.00 57.72 55.33 2vyr n HIS 72 Cb 0.26 -0.24 -0.07 0.00 0.12 0.00 0.00 29.99 30.05 2vyr n HIS 72 CO 0.00 0.00 0.00 -1.64 -2.81 0.00 0.00 176.34 171.89 2vyr s MET 73 N -2.56 4.10 -0.19 -1.40 -1.94 -0.30 -0.97 119.30 116.05 2vyr s MET 73 Ca 0.27 0.34 -0.05 0.00 -1.71 0.00 0.00 55.69 54.54 2vyr s MET 73 Cb 0.20 -3.63 -0.03 0.00 2.01 0.00 0.00 34.83 33.38 2vyr s MET 73 CO 0.48 -0.30 0.01 0.08 -0.01 0.00 0.00 175.02 175.28 2vyr s VAL 74 N 2.13 4.16 -0.53 -6.03 1.01 -0.15 -1.58 120.40 119.41 2vyr s VAL 74 Ca 0.22 -0.25 -0.05 0.00 0.00 0.00 0.00 61.98 61.89 2vyr s VAL 74 Cb -0.16 -2.87 0.14 0.00 0.00 0.00 0.00 36.38 33.49 2vyr s VAL 74 CO 0.09 0.45 0.37 -0.31 0.00 0.00 0.00 175.10 175.69 2vyr s TYR 75 N 0.71 3.50 -0.84 5.22 1.51 0.14 -2.24 117.35 125.35 2vyr s TYR 75 Ca 0.00 -2.33 0.11 0.00 -1.01 0.00 0.00 57.07 53.84 2vyr s TYR 75 Cb -0.14 -3.34 0.31 0.00 -0.11 0.00 0.00 41.96 38.68 2vyr s TYR 75 CO 0.02 -0.94 1.26 0.00 -1.11 0.00 0.00 175.55 174.78 2vyr n GLY 77 N 0.40 -2.90 0.51 0.00 0.00 -0.93 -1.75 105.19 100.52 2vyr n GLY 77 Ca 0.12 0.82 0.08 0.00 0.00 0.00 0.00 46.02 47.04 2vyr n GLY 77 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2vyr n GLY 78 N -1.10 0.22 3.91 -0.02 0.00 -1.26 -4.63 105.19 102.31 2vyr n GLY 78 Ca 0.01 -0.36 -0.29 0.00 0.00 0.00 0.00 46.02 45.38 2vyr n GLY 78 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2vyr s ASP 79 N -1.35 6.45 0.58 1.61 2.15 -0.72 -4.97 116.67 120.42 2vyr s ASP 79 Ca 0.27 0.60 0.28 0.00 0.43 0.00 0.00 52.55 54.13 2vyr s ASP 79 Cb 0.14 -2.09 1.52 0.00 -0.30 0.00 0.00 42.92 42.19 2vyr s ASP 79 CO 0.21 -0.08 1.97 -0.07 -0.17 0.00 0.00 175.17 177.03 2vyr h LEU 80 N 2.10 0.00 -0.96 -1.34 3.38 -1.89 -0.07 115.31 116.52 2vyr h LEU 80 Ca -0.47 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.45 2vyr h LEU 80 Cb 1.18 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.90 2vyr h LEU 80 CO 0.68 0.00 0.24 0.25 0.09 0.00 0.00 178.44 179.70 2vyr h LEU 81 N 0.00 0.91 -1.86 1.67 5.85 -1.94 -2.32 115.31 117.62 2vyr h LEU 81 Ca 0.19 -0.14 0.01 0.00 0.84 0.00 0.00 57.88 58.78 2vyr h LEU 81 Cb 0.95 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.74 2vyr h LEU 81 CO -0.00 0.83 0.11 1.23 -0.34 0.00 0.00 178.44 180.28 2vyr h GLY 82 N 1.05 0.20 1.17 3.75 0.00 -0.54 -1.85 103.07 106.84 2vyr h GLY 82 Ca 0.22 -0.07 -0.15 0.00 0.00 0.00 0.00 47.33 47.33 2vyr h GLY 82 CO -0.01 0.07 -0.32 0.83 0.00 0.00 0.00 176.54 177.10 2vyr h GLU 83 N 0.18 0.93 -0.29 4.80 5.08 -1.40 0.23 114.58 124.12 2vyr h GLU 83 Ca 0.07 -0.45 -0.08 0.00 -1.00 0.00 0.00 59.36 57.90 2vyr h GLU 83 Cb 0.04 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 2vyr h GLU 83 CO -0.01 1.11 -0.12 -0.07 -1.00 0.00 0.00 179.01 178.91 2vyr h LEU 84 N 0.77 0.60 -0.80 1.33 3.38 -1.31 -2.97 115.31 116.33 2vyr h LEU 84 Ca 0.08 -0.40 0.00 0.00 0.09 0.00 0.00 57.88 57.65 2vyr h LEU 84 Cb 0.90 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.48 2vyr h LEU 84 CO 0.08 0.87 0.00 -0.07 0.09 0.00 0.00 178.44 179.41 2vyr h LEU 85 N 0.34 0.00 2.07 1.67 4.07 -1.32 -3.46 115.31 118.68 2vyr h LEU 85 Ca 0.07 0.00 -0.42 0.00 0.08 0.00 0.00 57.88 57.60 2vyr h LEU 85 Cb 0.63 0.00 -0.09 0.00 1.08 0.00 0.00 40.66 42.28 2vyr h LEU 85 CO 0.04 0.00 -0.47 0.61 -1.08 0.00 0.00 178.44 177.54 2vyr n GLY 86 N 0.43 0.66 3.40 0.83 0.00 0.05 -4.97 105.19 105.58 2vyr n GLY 86 Ca 0.02 -0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.84 2vyr n GLY 86 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2vyr s ARG 87 N -4.46 1.64 -0.07 1.61 0.52 -1.06 -5.04 118.95 112.09 2vyr s ARG 87 Ca 0.00 -1.93 0.07 0.00 -0.52 0.00 0.00 55.73 53.35 2vyr s ARG 87 Cb 0.00 -0.42 -0.10 0.00 0.52 0.00 0.00 34.95 34.95 2vyr s ARG 87 CO 0.00 -0.36 0.04 1.04 0.02 0.00 0.00 175.30 176.04 2vyr n GLN 88 N -0.65 2.47 -3.91 3.54 6.02 -1.26 -4.39 117.38 119.20 2vyr n GLN 88 Ca -0.01 -0.01 -0.10 0.00 -0.01 0.00 0.00 57.00 56.87 2vyr n GLN 88 Cb 0.66 -1.20 -0.01 0.00 1.02 0.00 0.00 30.24 30.70 2vyr n GLN 88 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 2vyr s SER 89 N -3.88 0.10 0.00 1.08 1.04 -1.26 -1.68 113.70 109.10 2vyr s SER 89 Ca -0.04 -1.05 0.00 0.00 0.48 0.00 0.00 55.95 55.35 2vyr s SER 89 Cb 0.03 0.73 0.00 0.00 0.10 0.00 0.00 66.02 66.88 2vyr s SER 89 CO 0.33 -1.42 0.00 2.22 0.98 0.00 0.00 173.24 175.35 2vyr n PHE 90 N -0.49 0.00 -3.69 5.02 1.16 -0.95 -4.99 117.46 113.51 2vyr n PHE 90 Ca -0.04 0.00 -0.37 0.00 -1.87 0.00 0.00 57.45 55.17 2vyr n PHE 90 Cb 0.60 0.00 -0.07 0.00 -1.61 0.00 0.00 39.48 38.41 2vyr n PHE 90 CO 0.00 0.00 0.00 0.45 -1.87 0.00 0.00 176.76 175.34 2vyr s SER 91 N 0.00 6.46 0.00 5.98 0.15 -1.26 -0.98 113.70 124.05 2vyr s SER 91 Ca 0.00 0.54 0.13 0.00 0.70 0.00 0.00 55.95 57.32 2vyr s SER 91 Cb 0.00 -2.14 0.57 0.00 -1.71 0.00 0.00 66.02 62.74 2vyr s SER 91 CO 0.00 0.28 1.40 0.52 1.20 0.00 0.00 173.24 176.64 2vyr n VAL 92 N 2.61 1.04 0.22 4.45 0.31 -0.14 -2.78 118.33 124.04 2vyr n VAL 92 Ca -0.16 0.26 0.08 0.00 -0.01 0.00 0.00 64.34 64.51 2vyr n VAL 92 Cb 0.53 -1.04 0.52 0.00 -0.91 0.00 0.00 33.84 32.94 2vyr n VAL 92 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 2vyr h LYS 93 N 0.00 0.00 -4.71 5.55 1.57 -1.94 -3.39 116.57 113.65 2vyr h LYS 93 Ca 0.00 0.00 -0.69 0.00 -1.87 0.00 0.00 60.65 58.09 2vyr h LYS 93 Cb 0.21 0.00 -0.24 0.00 0.08 0.00 0.00 32.23 32.28 2vyr h LYS 93 CO 0.00 0.25 -0.55 0.16 -0.57 0.00 0.00 179.45 178.74 2vyr s ASP 94 N -6.51 5.57 0.44 0.86 1.47 -1.12 -4.99 116.67 112.39 2vyr s ASP 94 Ca -0.02 -0.72 0.13 0.00 1.18 0.00 0.00 52.55 53.12 2vyr s ASP 94 Cb 0.13 -2.00 0.99 0.00 -0.34 0.00 0.00 42.92 41.70 2vyr s ASP 94 CO 0.66 -0.26 2.00 -0.65 0.68 0.00 0.00 175.17 177.60 2vyr h PRO 95 N 8.37 0.08 -0.66 2.11 0.11 -1.86 -3.38 132.00 136.78 2vyr h PRO 95 Ca -0.30 -0.01 0.06 0.00 0.11 0.00 0.00 66.00 65.86 2vyr h PRO 95 Cb 1.13 -0.01 -0.08 0.00 0.11 0.00 0.00 31.00 32.15 2vyr h PRO 95 CO 0.63 0.21 -0.39 0.43 -0.21 0.00 0.00 178.00 178.67 2vyr n SER 96 N -4.36 -0.70 0.16 -2.05 7.64 -1.26 0.01 113.62 113.06 2vyr n SER 96 Ca -0.02 1.21 0.04 0.00 1.01 0.00 0.00 58.87 61.12 2vyr n SER 96 Cb 0.21 -0.17 0.45 0.00 -1.01 0.00 0.00 64.21 63.69 2vyr n SER 96 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 2vyr h PRO 97 N 0.00 0.16 0.01 1.43 0.11 -1.96 -1.25 132.00 130.50 2vyr h PRO 97 Ca 0.11 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.18 2vyr h PRO 97 Cb 0.27 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.35 2vyr h PRO 97 CO -0.62 0.28 -0.01 -0.07 -0.21 0.00 0.00 178.00 177.37 2vyr h LEU 98 N 0.15 -0.01 -0.69 2.35 -0.00 -0.67 -2.70 115.31 113.73 2vyr h LEU 98 Ca 0.03 -0.44 0.12 0.00 -0.00 0.00 0.00 57.88 57.59 2vyr h LEU 98 Cb 0.29 0.00 -0.09 0.00 -0.00 0.00 0.00 40.66 40.87 2vyr h LEU 98 CO 0.02 0.44 0.26 1.88 -0.00 0.00 0.00 178.44 181.03 2vyr h TYR 99 N -0.47 0.44 0.03 1.13 0.99 -0.53 0.40 116.97 118.97 2vyr h TYR 99 Ca -0.00 0.03 0.02 0.00 2.00 0.00 0.00 58.73 60.78 2vyr h TYR 99 Cb 0.45 -0.09 -0.03 0.00 1.00 0.00 0.00 36.73 38.06 2vyr h TYR 99 CO 0.08 0.07 -0.16 0.22 -0.00 0.00 0.00 178.16 178.37 2vyr h ASP 100 N 0.42 -0.44 -0.55 3.88 3.58 -1.24 0.74 116.42 122.81 2vyr h ASP 100 Ca 0.37 0.06 0.01 0.00 0.42 0.00 0.00 57.03 57.89 2vyr h ASP 100 Cb 0.53 0.18 -0.03 0.00 1.72 0.00 0.00 39.33 41.73 2vyr h ASP 100 CO -0.37 -0.22 0.36 -0.03 -2.88 0.00 0.00 179.24 176.10 2vyr h MET 101 N -0.27 0.71 -0.39 0.28 4.05 -1.03 -2.07 114.93 116.20 2vyr h MET 101 Ca 0.04 -0.04 0.02 0.00 -0.28 0.00 0.00 59.70 59.44 2vyr h MET 101 Cb 0.32 -0.16 -0.03 0.00 -0.80 0.00 0.00 31.60 30.94 2vyr h MET 101 CO -0.13 0.47 0.23 -0.07 0.23 0.00 0.00 176.91 177.64 2vyr h LEU 102 N 0.73 0.37 -0.94 3.39 3.38 -0.55 -0.19 115.31 121.51 2vyr h LEU 102 Ca 0.20 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.23 2vyr h LEU 102 Cb -0.07 -0.07 -0.06 0.00 0.09 0.00 0.00 40.66 40.54 2vyr h LEU 102 CO -0.05 0.27 0.60 -0.09 0.09 0.00 0.00 178.44 179.26 2vyr h ARG 103 N 0.47 1.09 0.00 1.13 2.43 -0.50 -0.10 114.38 118.90 2vyr h ARG 103 Ca 0.16 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.26 2vyr h ARG 103 Cb 0.01 -0.25 0.00 0.00 -0.42 0.00 0.00 29.97 29.31 2vyr h ARG 103 CO -0.07 0.72 -0.41 1.63 -1.51 0.00 0.00 179.97 180.33 2vyr n LYS 104 N -4.53 0.21 0.00 0.20 5.02 -0.81 -4.32 118.16 113.93 2vyr n LYS 104 Ca 0.13 0.09 0.00 0.00 -2.02 0.00 0.00 58.31 56.52 2vyr n LYS 104 Cb 0.15 -1.67 0.00 0.00 -0.02 0.00 0.00 35.03 33.49 2vyr n LYS 104 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2vyr n ASN 105 N -2.00 0.45 -4.55 4.39 3.02 -0.12 -4.95 115.26 111.50 2vyr n ASN 105 Ca 0.04 -0.72 -0.35 0.00 -0.03 0.00 0.00 54.58 53.53 2vyr n ASN 105 Cb 0.41 0.49 -0.11 0.00 -0.61 0.00 0.00 39.78 39.96 2vyr n ASN 105 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2vyr s LEU 106 N -0.98 3.55 -0.29 3.41 1.43 -0.09 -0.84 118.68 124.87 2vyr s LEU 106 Ca 0.00 -0.04 -0.07 0.00 -1.03 0.00 0.00 54.13 52.99 2vyr s LEU 106 Cb 0.00 -1.90 0.01 0.00 0.03 0.00 0.00 46.19 44.33 2vyr s LEU 106 CO 0.00 0.13 0.08 -0.69 0.23 0.00 0.00 176.35 176.10 2vyr s VAL 107 N 0.60 3.97 0.23 -1.59 1.01 0.06 -4.89 120.40 119.79 2vyr s VAL 107 Ca 0.01 -0.66 -0.30 0.00 0.00 0.00 0.00 61.98 61.03 2vyr s VAL 107 Cb -0.13 -3.04 -0.09 0.00 0.00 0.00 0.00 36.38 33.12 2vyr s VAL 107 CO 0.02 0.10 1.35 -0.89 0.00 0.00 0.00 175.10 175.68 2vyr s THR 108 N 1.51 2.97 -0.16 3.92 2.01 -1.26 -0.30 115.64 124.33 2vyr s THR 108 Ca 0.03 0.82 -0.07 0.00 0.31 0.00 0.00 61.69 62.78 2vyr s THR 108 Cb -0.17 -3.52 -0.04 0.00 0.01 0.00 0.00 72.50 68.77 2vyr s THR 108 CO 0.02 0.13 0.09 -0.76 -0.69 0.00 0.00 174.62 173.42 2vyr s LEU 109 N -0.36 4.02 0.00 4.42 1.43 -0.95 -4.89 118.68 122.35 2vyr s LEU 109 Ca 0.57 0.23 0.00 0.00 -1.03 0.00 0.00 54.13 53.89 2vyr s LEU 109 Cb -0.39 -2.00 0.00 0.00 0.03 0.00 0.00 46.19 43.83 2vyr s LEU 109 CO 0.41 0.27 0.00 0.00 0.23 0.00 0.00 176.35 177.26