#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 2.12 0.12 3.52 -0.21 -1.26 -4.48 119.66 119.46 2vyr s GLN 26 Ca 0.00 -1.30 0.04 0.00 0.02 0.00 0.00 55.36 54.12 2vyr s GLN 26 Cb 0.00 -2.16 -0.04 0.00 1.00 0.00 0.00 33.01 31.81 2vyr s GLN 26 CO 0.00 0.42 -0.10 0.14 -2.12 0.00 0.00 175.29 173.63 2vyr s VAL 27 N -1.84 1.02 -0.26 1.09 -7.23 0.17 -2.06 120.40 111.28 2vyr s VAL 27 Ca 0.26 -1.83 -0.03 0.00 -1.81 0.00 0.00 61.98 58.58 2vyr s VAL 27 Cb -0.08 -1.58 0.02 0.00 0.56 0.00 0.00 36.38 35.30 2vyr s VAL 27 CO 0.16 -0.66 -0.03 -0.60 -0.31 0.00 0.00 175.10 173.67 2vyr s ARG 28 N -3.25 2.91 0.31 4.82 3.52 -0.12 -1.58 118.95 125.55 2vyr s ARG 28 Ca 0.10 -0.94 -0.29 0.00 -0.13 0.00 0.00 55.73 54.48 2vyr s ARG 28 Cb -0.00 -3.07 -0.10 0.00 -1.56 0.00 0.00 34.95 30.23 2vyr s ARG 28 CO -0.00 -0.40 1.19 -2.14 -0.81 0.00 0.00 175.30 173.13 2vyr s PRO 29 N 1.37 4.49 0.58 5.12 0.02 -1.26 -1.38 135.00 143.93 2vyr s PRO 29 Ca 0.01 1.97 -0.21 0.00 0.02 0.00 0.00 61.00 62.79 2vyr s PRO 29 Cb -0.17 -3.11 -0.04 0.00 0.02 0.00 0.00 34.50 31.21 2vyr s PRO 29 CO -0.03 0.02 1.33 0.15 -0.33 0.00 0.00 177.00 178.14 2vyr s LYS 30 N -1.64 2.97 0.29 5.54 -0.14 0.23 -4.56 119.74 122.43 2vyr s LYS 30 Ca 0.47 2.16 0.00 0.00 -1.36 0.00 0.00 55.97 57.24 2vyr s LYS 30 Cb -0.35 -2.13 0.67 0.00 -1.68 0.00 0.00 37.83 34.34 2vyr s LYS 30 CO 0.46 -1.30 1.62 -0.07 -0.76 0.00 0.00 175.35 175.29 2vyr h LEU 31 N 1.18 -0.24 -0.35 3.17 3.38 -1.94 0.11 115.31 120.61 2vyr h LEU 31 Ca -0.51 0.23 0.06 0.00 0.09 0.00 0.00 57.88 57.75 2vyr h LEU 31 Cb 1.31 0.36 -0.08 0.00 0.09 0.00 0.00 40.66 42.34 2vyr h LEU 31 CO 0.56 -0.23 -0.44 -0.65 0.09 0.00 0.00 178.44 177.77 2vyr h PRO 32 N 0.11 -0.35 -0.39 1.13 0.11 -1.97 0.35 132.00 130.98 2vyr h PRO 32 Ca 0.54 0.02 -0.10 0.00 0.11 0.00 0.00 66.00 66.58 2vyr h PRO 32 Cb 1.08 0.08 -0.02 0.00 0.11 0.00 0.00 31.00 32.25 2vyr h PRO 32 CO -0.75 -0.23 -0.15 1.25 -0.21 0.00 0.00 178.00 177.91 2vyr h LEU 33 N -0.37 0.72 -0.94 2.35 5.85 -1.41 -3.00 115.31 118.52 2vyr h LEU 33 Ca 0.12 -0.22 -0.05 0.00 0.84 0.00 0.00 57.88 58.57 2vyr h LEU 33 Cb 0.59 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.40 2vyr h LEU 33 CO -0.54 0.88 0.20 0.25 -0.34 0.00 0.00 178.44 178.88 2vyr h LEU 34 N 0.65 0.90 -0.67 2.25 5.85 -0.08 0.16 115.31 124.37 2vyr h LEU 34 Ca 0.11 -0.15 0.01 0.00 0.84 0.00 0.00 57.88 58.68 2vyr h LEU 34 Cb 0.62 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.38 2vyr h LEU 34 CO 0.04 0.85 0.43 0.50 -0.34 0.00 0.00 178.44 179.92 2vyr h LYS 35 N 0.94 0.85 -0.55 1.25 3.64 -0.21 0.30 116.57 122.79 2vyr h LYS 35 Ca 0.21 -0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 59.51 2vyr h LYS 35 Cb 0.27 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 31.87 2vyr h LYS 35 CO -0.01 0.57 0.24 0.82 -2.27 0.00 0.00 179.45 178.80 2vyr h ILE 36 N 0.88 1.21 -0.17 2.00 2.04 -1.30 -1.17 117.51 121.00 2vyr h ILE 36 Ca 0.25 -0.64 -0.01 0.00 1.00 0.00 0.00 64.86 65.46 2vyr h ILE 36 Cb -0.07 0.61 -0.01 0.00 -0.74 0.00 0.00 36.82 36.61 2vyr h ILE 36 CO -0.07 0.25 0.06 -0.07 0.00 0.00 0.00 178.15 178.33 2vyr h LEU 37 N 0.75 0.23 -0.70 1.44 3.38 -0.37 -2.49 115.31 117.54 2vyr h LEU 37 Ca 0.19 -0.17 0.02 0.00 0.09 0.00 0.00 57.88 58.01 2vyr h LEU 37 Cb 0.16 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 40.81 2vyr h LEU 37 CO -0.02 0.34 0.45 0.45 0.09 0.00 0.00 178.44 179.75 2vyr h HIS 38 N 0.11 0.84 -0.23 1.13 3.86 -0.32 0.69 115.15 121.23 2vyr h HIS 38 Ca 0.05 0.02 0.07 0.00 -1.16 0.00 0.00 60.37 59.35 2vyr h HIS 38 Cb 0.19 -0.28 -0.01 0.00 1.06 0.00 0.00 27.41 28.37 2vyr h HIS 38 CO -0.01 0.50 0.21 0.00 0.86 0.00 0.00 177.93 179.49 2vyr h ALA 39 N 1.29 1.99 -0.01 2.45 0.00 -1.06 0.34 119.26 124.26 2vyr h ALA 39 Ca 0.27 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.18 2vyr h ALA 39 Cb -0.02 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2vyr h ALA 39 CO -0.09 -0.33 -0.08 0.00 0.00 0.00 0.00 179.25 178.75 2vyr n ALA 40 N -2.43 2.74 0.00 0.00 0.00 0.18 -4.90 120.51 116.09 2vyr n ALA 40 Ca 0.03 -0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.10 2vyr n ALA 40 Cb 0.35 -1.24 0.00 0.00 0.00 0.00 0.00 19.45 18.56 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 1.21 0.86 3.74 0.00 0.00 0.11 -4.91 105.19 106.20 2vyr n GLY 41 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 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 3.62 -0.14 4.61 0.00 -0.85 -4.99 121.76 122.01 2vyr s ALA 42 Ca 0.00 1.27 -0.06 0.00 0.00 0.00 0.00 51.96 53.17 2vyr s ALA 42 Cb 0.00 -3.55 -0.04 0.00 0.00 0.00 0.00 23.12 19.53 2vyr s ALA 42 CO 0.00 -0.70 0.09 -0.65 0.00 0.00 0.00 175.76 174.51 2vyr s GLN 43 N -0.04 3.57 0.76 0.00 -1.52 -1.26 -4.47 119.66 116.70 2vyr s GLN 43 Ca 0.60 -0.25 0.00 0.00 -1.95 0.00 0.00 55.36 53.77 2vyr s GLN 43 Cb -0.41 -3.14 0.00 0.00 -0.22 0.00 0.00 33.01 29.24 2vyr s GLN 43 CO 0.40 0.58 0.00 0.41 -0.25 0.00 0.00 175.29 176.43 2vyr n GLY 44 N 2.57 -1.78 0.00 3.09 0.00 -1.26 -4.73 105.19 103.09 2vyr n GLY 44 Ca -0.18 -1.72 0.00 0.00 0.00 0.00 0.00 46.02 44.12 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 0.00 2.20 -4.85 1.61 1.02 -1.26 -5.02 120.64 114.34 2vyr n GLU 45 Ca 0.00 -0.17 -0.33 0.00 -0.02 0.00 0.00 57.16 56.64 2vyr n GLU 45 Cb 0.00 -0.59 -0.16 0.00 -0.02 0.00 0.00 31.44 30.67 2vyr n GLU 45 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 2vyr s MET 46 N -0.36 3.22 0.14 3.49 -1.94 -1.26 -4.19 119.30 118.39 2vyr s MET 46 Ca 0.00 -0.77 -0.01 0.00 -1.71 0.00 0.00 55.69 53.19 2vyr s MET 46 Cb 0.00 -2.52 -0.04 0.00 2.01 0.00 0.00 34.83 34.29 2vyr s MET 46 CO 0.00 0.14 0.07 -0.06 -0.01 0.00 0.00 175.02 175.16 2vyr s PHE 47 N 0.49 0.85 0.45 -0.03 0.40 -0.62 -4.94 117.98 114.59 2vyr s PHE 47 Ca -0.12 -1.22 -0.03 0.00 -0.60 0.00 0.00 56.93 54.96 2vyr s PHE 47 Cb -0.16 -0.46 -0.03 0.00 0.51 0.00 0.00 43.02 42.88 2vyr s PHE 47 CO 0.05 -0.54 0.72 0.95 0.70 0.00 0.00 175.22 177.10 2vyr s THR 48 N -4.05 4.69 0.25 0.64 -4.23 -1.26 0.43 115.64 112.10 2vyr s THR 48 Ca 0.24 -0.11 -0.06 0.00 -1.18 0.00 0.00 61.69 60.59 2vyr s THR 48 Cb 0.07 -3.76 0.25 0.00 1.34 0.00 0.00 72.50 70.40 2vyr s THR 48 CO 0.02 -0.65 1.92 0.58 -0.54 0.00 0.00 174.62 175.95 2vyr h VAL 49 N 0.35 1.22 -0.26 2.29 2.07 -1.97 -1.48 116.25 118.48 2vyr h VAL 49 Ca -0.47 -0.45 -0.06 0.00 0.82 0.00 0.00 66.70 66.54 2vyr h VAL 49 Cb 1.22 -0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 30.78 2vyr h VAL 49 CO 0.61 0.24 -0.10 0.11 0.02 0.00 0.00 177.57 178.45 2vyr h LYS 50 N 1.30 0.42 -0.25 1.57 1.57 -1.95 -1.19 116.57 118.04 2vyr h LYS 50 Ca 0.38 -0.11 -0.02 0.00 -1.87 0.00 0.00 60.65 59.03 2vyr h LYS 50 Cb -0.08 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.16 2vyr h LYS 50 CO -0.10 0.53 0.07 0.93 -0.57 0.00 0.00 179.45 180.30 2vyr h GLU 51 N 0.39 0.39 -0.60 3.15 5.08 -1.73 -1.31 114.58 119.95 2vyr h GLU 51 Ca 0.08 -0.09 0.06 0.00 -1.00 0.00 0.00 59.36 58.41 2vyr h GLU 51 Cb 0.42 -0.05 -0.06 0.00 0.50 0.00 0.00 28.75 29.56 2vyr h GLU 51 CO 0.02 0.48 0.31 0.28 -1.00 0.00 0.00 179.01 179.10 2vyr h VAL 52 N 0.23 0.92 -0.19 3.13 2.07 -0.81 -1.60 116.25 120.00 2vyr h VAL 52 Ca 0.08 -0.19 -0.15 0.00 0.82 0.00 0.00 66.70 67.25 2vyr h VAL 52 Cb 0.26 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 30.33 2vyr h VAL 52 CO -0.00 0.10 -0.51 0.24 0.02 0.00 0.00 177.57 177.42 2vyr h MET 53 N 0.57 0.52 -0.46 1.57 2.86 -1.17 -1.56 114.93 117.26 2vyr h MET 53 Ca 0.28 -0.31 0.03 0.00 -2.06 0.00 0.00 59.70 57.63 2vyr h MET 53 Cb 0.21 0.03 -0.03 0.00 0.06 0.00 0.00 31.60 31.87 2vyr h MET 53 CO -0.20 0.91 0.26 1.25 1.06 0.00 0.00 176.91 180.19 2vyr h HIS 54 N 0.41 0.49 -0.63 -0.22 6.17 -0.76 -1.14 115.15 119.47 2vyr h HIS 54 Ca 0.02 0.02 -0.09 0.00 0.71 0.00 0.00 60.37 61.02 2vyr h HIS 54 Cb 1.04 -0.15 -0.02 0.00 2.52 0.00 0.00 27.41 30.79 2vyr h HIS 54 CO 0.04 0.27 0.04 1.88 0.71 0.00 0.00 177.93 180.87 2vyr h TYR 55 N 0.52 1.17 -0.88 5.26 0.05 -1.12 -2.25 116.97 119.72 2vyr h TYR 55 Ca 0.19 -0.19 0.01 0.00 0.05 0.00 0.00 58.73 58.79 2vyr h TYR 55 Cb 0.05 -0.31 -0.04 0.00 1.01 0.00 0.00 36.73 37.43 2vyr h TYR 55 CO -0.08 1.01 0.58 1.25 -1.05 0.00 0.00 178.16 179.88 2vyr h LEU 56 N 0.99 1.01 -0.62 3.88 5.85 -1.00 0.18 115.31 125.59 2vyr h LEU 56 Ca 0.18 -0.02 0.04 0.00 0.84 0.00 0.00 57.88 58.92 2vyr h LEU 56 Cb 0.52 -0.25 -0.05 0.00 0.37 0.00 0.00 40.66 41.26 2vyr h LEU 56 CO 0.02 0.72 0.36 1.23 -0.34 0.00 0.00 178.44 180.43 2vyr h GLY 57 N 1.19 0.90 0.95 3.75 0.00 -0.94 -0.85 103.07 108.06 2vyr h GLY 57 Ca 0.33 -0.26 -0.03 0.00 0.00 0.00 0.00 47.33 47.37 2vyr h GLY 57 CO -0.08 0.18 0.13 1.46 0.00 0.00 0.00 176.54 178.24 2vyr h GLN 58 N 0.68 0.67 -0.10 4.80 1.08 -0.73 -1.72 115.11 119.78 2vyr h GLN 58 Ca 0.27 -0.14 0.04 0.00 -1.45 0.00 0.00 58.65 57.37 2vyr h GLN 58 Cb 0.11 -0.10 -0.06 0.00 -0.05 0.00 0.00 27.48 27.39 2vyr h GLN 58 CO -0.15 0.65 -0.25 -0.92 -0.95 0.00 0.00 178.83 177.21 2vyr h TYR 59 N 0.55 -0.68 -0.16 2.96 3.20 -0.17 0.39 116.97 123.07 2vyr h TYR 59 Ca 0.14 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 62.04 2vyr h TYR 59 Cb 0.26 0.32 -0.01 0.00 1.54 0.00 0.00 36.73 38.84 2vyr h TYR 59 CO 0.01 -0.34 0.10 0.82 -1.64 0.00 0.00 178.16 177.11 2vyr h ILE 60 N -0.34 1.07 0.51 1.81 2.04 -1.12 -1.68 117.51 119.80 2vyr h ILE 60 Ca 0.09 -0.16 -0.02 0.00 1.00 0.00 0.00 64.86 65.77 2vyr h ILE 60 Cb 0.47 0.90 -0.01 0.00 -0.74 0.00 0.00 36.82 37.44 2vyr h ILE 60 CO -0.29 0.06 -0.38 -0.03 0.00 0.00 0.00 178.15 177.51 2vyr h MET 61 N 0.18 -0.84 -0.21 2.37 4.05 -1.00 -1.11 114.93 118.37 2vyr h MET 61 Ca 0.06 0.06 -0.11 0.00 -0.28 0.00 0.00 59.70 59.43 2vyr h MET 61 Cb 0.02 0.19 -0.01 0.00 -0.80 0.00 0.00 31.60 31.00 2vyr h MET 61 CO -0.01 -0.56 -0.33 0.28 0.23 0.00 0.00 176.91 176.52 2vyr h VAL 62 N -0.87 1.28 -0.05 -5.77 2.07 -0.91 -1.26 116.25 110.74 2vyr h VAL 62 Ca -0.06 -1.40 0.00 0.00 0.82 0.00 0.00 66.70 66.07 2vyr h VAL 62 Cb 0.74 1.48 0.00 0.00 -1.52 0.00 0.00 31.29 31.99 2vyr h VAL 62 CO 0.01 0.44 0.00 0.29 0.02 0.00 0.00 177.57 178.33 2vyr n LYS 63 N -4.08 1.26 -3.90 1.57 5.02 -0.64 -4.92 118.16 112.48 2vyr n LYS 63 Ca -0.01 -0.39 -0.29 0.00 -2.02 0.00 0.00 58.31 55.60 2vyr n LYS 63 Cb 0.45 -1.36 0.02 0.00 -0.02 0.00 0.00 35.03 34.12 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 -0.43 -5.37 -0.00 1.97 6.02 -0.48 -4.83 117.38 114.27 2vyr n GLN 64 Ca 0.16 0.59 0.15 0.00 -0.01 0.00 0.00 57.00 57.90 2vyr n GLN 64 Cb 0.17 -5.42 0.88 0.00 1.02 0.00 0.00 30.24 26.89 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 -4.63 0.16 -4.90 1.08 4.77 -0.80 -4.87 117.00 107.82 2vyr n LEU 65 Ca -0.01 -0.05 -0.21 0.00 -0.03 0.00 0.00 56.01 55.71 2vyr n LEU 65 Cb 0.55 -0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.61 2vyr n LEU 65 CO 0.75 0.03 -0.05 -0.72 -1.33 0.00 0.00 177.39 176.07 2vyr s TYR 66 N -2.00 3.05 -0.24 -1.77 -0.85 -1.26 0.10 117.35 114.38 2vyr s TYR 66 Ca 0.46 -0.22 -0.25 0.00 -0.52 0.00 0.00 57.07 56.54 2vyr s TYR 66 Cb 0.21 -1.77 -0.00 0.00 0.38 0.00 0.00 41.96 40.78 2vyr s TYR 66 CO 0.36 0.21 0.84 0.34 -1.52 0.00 0.00 175.55 175.77 2vyr s ASP 67 N -4.02 6.84 0.35 -0.18 -1.08 -0.66 -4.91 116.67 113.01 2vyr s ASP 67 Ca 0.40 1.05 0.12 0.00 -0.52 0.00 0.00 52.55 53.60 2vyr s ASP 67 Cb -0.07 -2.44 0.93 0.00 -1.46 0.00 0.00 42.92 39.88 2vyr s ASP 67 CO 0.28 -0.52 1.76 1.56 0.52 0.00 0.00 175.17 178.77 2vyr h GLN 68 N 7.67 0.54 0.00 4.34 4.20 -1.94 -1.91 115.11 128.00 2vyr h GLN 68 Ca -0.23 -0.03 -0.26 0.00 0.06 0.00 0.00 58.65 58.19 2vyr h GLN 68 Cb 1.09 -0.12 -0.05 0.00 0.30 0.00 0.00 27.48 28.70 2vyr h GLN 68 CO 0.88 0.36 -1.67 1.04 -0.67 0.00 0.00 178.83 178.77 2vyr n GLN 69 N -4.75 0.63 -3.74 1.46 6.02 -1.26 -4.48 117.38 111.26 2vyr n GLN 69 Ca 0.25 0.26 -0.28 0.00 -0.01 0.00 0.00 57.00 57.22 2vyr n GLN 69 Cb 0.74 -1.78 -0.12 0.00 1.02 0.00 0.00 30.24 30.10 2vyr n GLN 69 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 2vyr s GLU 70 N -2.68 1.87 0.55 -1.09 2.02 -0.76 -4.99 118.70 113.62 2vyr s GLU 70 Ca -0.04 -2.81 0.31 0.00 0.02 0.00 0.00 54.97 52.44 2vyr s GLU 70 Cb 0.08 -2.74 1.58 0.00 0.10 0.00 0.00 34.13 33.15 2vyr s GLU 70 CO 0.82 -1.29 2.11 1.96 0.02 0.00 0.00 175.26 178.88 2vyr h GLN 71 N 5.69 0.00 0.00 1.61 4.20 -1.67 -1.37 115.11 123.56 2vyr h GLN 71 Ca 0.15 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.86 2vyr h GLN 71 Cb 0.82 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.60 2vyr h GLN 71 CO 0.59 0.08 0.00 -2.39 -0.67 0.00 0.00 178.83 176.45 2vyr n HIS 72 N -3.50 0.00 -3.28 2.96 1.44 -1.26 -4.52 115.22 107.06 2vyr n HIS 72 Ca -0.02 0.00 -0.39 0.00 -2.01 0.00 0.00 57.72 55.30 2vyr n HIS 72 Cb 0.22 -0.40 -0.07 0.00 0.12 0.00 0.00 29.99 29.86 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 -2.80 4.16 -0.21 -1.40 -1.94 -0.52 -0.79 119.30 115.80 2vyr s MET 73 Ca 0.19 0.34 -0.03 0.00 -1.71 0.00 0.00 55.69 54.48 2vyr s MET 73 Cb 0.18 -3.58 -0.01 0.00 2.01 0.00 0.00 34.83 33.43 2vyr s MET 73 CO 0.45 -0.17 -0.07 0.08 -0.01 0.00 0.00 175.02 175.30 2vyr s VAL 74 N 1.71 3.21 -0.48 -6.03 1.01 0.13 -1.66 120.40 118.30 2vyr s VAL 74 Ca 0.22 -0.55 -0.11 0.00 0.00 0.00 0.00 61.98 61.54 2vyr s VAL 74 Cb -0.15 -2.44 0.11 0.00 0.00 0.00 0.00 36.38 33.90 2vyr s VAL 74 CO 0.09 0.45 0.37 -0.31 0.00 0.00 0.00 175.10 175.70 2vyr s TYR 75 N 1.33 3.36 -1.20 5.22 1.51 0.11 -1.26 117.35 126.42 2vyr s TYR 75 Ca 0.04 -1.63 0.13 0.00 -1.01 0.00 0.00 57.07 54.59 2vyr s TYR 75 Cb -0.14 -3.47 0.32 0.00 -0.11 0.00 0.00 41.96 38.56 2vyr s TYR 75 CO -0.03 -0.97 1.23 0.00 -1.11 0.00 0.00 175.55 174.67 2vyr s GLY 77 N -1.02 1.79 0.00 0.00 0.00 -0.74 -2.18 107.32 105.17 2vyr s GLY 77 Ca 0.25 1.02 0.00 0.00 0.00 0.00 0.00 44.72 46.00 2vyr s GLY 77 CO 0.18 2.58 0.00 0.61 0.00 0.00 0.00 173.10 176.47 2vyr n GLY 78 N 3.71 0.72 3.36 0.20 0.00 -1.26 -5.04 105.19 106.88 2vyr n GLY 78 Ca 0.14 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.57 2.93 0.59 1.61 2.15 -0.93 -5.02 116.67 115.43 2vyr s ASP 79 Ca 0.00 -0.86 0.39 0.00 0.43 0.00 0.00 52.55 52.51 2vyr s ASP 79 Cb 0.00 -0.19 2.00 0.00 -0.30 0.00 0.00 42.92 44.43 2vyr s ASP 79 CO 0.00 0.02 2.18 -0.07 -0.17 0.00 0.00 175.17 177.13 2vyr h LEU 80 N 3.24 0.00 -0.25 -1.34 4.07 -1.98 -1.76 115.31 117.28 2vyr h LEU 80 Ca -0.44 0.00 -0.17 0.00 0.08 0.00 0.00 57.88 57.36 2vyr h LEU 80 Cb 1.21 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.95 2vyr h LEU 80 CO 0.50 0.00 -0.50 0.25 -1.08 0.00 0.00 178.44 177.61 2vyr h LEU 81 N 0.00 0.87 -1.28 1.67 5.85 -1.96 -2.94 115.31 117.52 2vyr h LEU 81 Ca 0.00 -0.54 0.13 0.00 0.84 0.00 0.00 57.88 58.31 2vyr h LEU 81 Cb 0.14 -0.25 -0.07 0.00 0.37 0.00 0.00 40.66 40.85 2vyr h LEU 81 CO 0.00 1.25 0.57 1.23 -0.34 0.00 0.00 178.44 181.14 2vyr h GLY 82 N 0.52 1.19 0.77 3.75 0.00 -1.13 -0.15 103.07 108.03 2vyr h GLY 82 Ca 0.01 -0.31 -0.02 0.00 0.00 0.00 0.00 47.33 47.01 2vyr h GLY 82 CO 0.11 0.12 -0.15 0.83 0.00 0.00 0.00 176.54 177.45 2vyr h GLU 83 N 0.73 -0.40 -0.96 4.80 5.08 -1.53 0.22 114.58 122.52 2vyr h GLU 83 Ca 0.43 0.03 0.15 0.00 -1.00 0.00 0.00 59.36 58.97 2vyr h GLU 83 Cb 0.63 0.09 -0.10 0.00 0.50 0.00 0.00 28.75 29.87 2vyr h GLU 83 CO -0.19 -0.12 0.57 -0.07 -1.00 0.00 0.00 179.01 178.19 2vyr h LEU 84 N -0.66 0.76 -0.26 1.33 3.38 -1.15 0.19 115.31 118.91 2vyr h LEU 84 Ca -0.04 0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 2vyr h LEU 84 Cb 0.46 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.15 2vyr h LEU 84 CO 0.07 0.34 -0.05 -0.07 0.09 0.00 0.00 178.44 178.82 2vyr h LEU 85 N 0.81 0.00 -0.69 1.67 3.38 -0.95 -3.44 115.31 116.09 2vyr h LEU 85 Ca 0.52 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 58.14 2vyr h LEU 85 Cb 0.68 0.00 0.11 0.00 0.09 0.00 0.00 40.66 41.55 2vyr h LEU 85 CO -0.33 0.05 -0.58 0.61 0.09 0.00 0.00 178.44 178.27 2vyr n GLY 86 N 0.92 -0.35 3.42 0.83 0.00 0.68 -4.97 105.19 105.71 2vyr n GLY 86 Ca 0.03 0.12 -0.12 0.00 0.00 0.00 0.00 46.02 46.05 2vyr n GLY 86 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2vyr s ARG 87 N -6.08 1.54 -0.05 1.61 3.52 -0.57 -5.03 118.95 113.88 2vyr s ARG 87 Ca 0.49 -1.55 0.02 0.00 -0.13 0.00 0.00 55.73 54.56 2vyr s ARG 87 Cb -0.21 0.39 -0.05 0.00 -1.56 0.00 0.00 34.95 33.52 2vyr s ARG 87 CO 0.60 -0.60 -0.01 1.04 -0.81 0.00 0.00 175.30 175.52 2vyr n GLN 88 N -0.41 1.93 -3.76 5.12 1.13 -1.26 -4.38 117.38 115.75 2vyr n GLN 88 Ca 0.01 0.01 -0.13 0.00 -1.94 0.00 0.00 57.00 54.95 2vyr n GLN 88 Cb 0.63 -1.11 -0.09 0.00 0.11 0.00 0.00 30.24 29.78 2vyr n GLN 88 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 2vyr s SER 89 N -3.98 -0.22 -0.18 1.08 0.15 -1.26 -0.40 113.70 108.90 2vyr s SER 89 Ca -0.05 0.19 -0.31 0.00 0.70 0.00 0.00 55.95 56.48 2vyr s SER 89 Cb 0.02 0.38 0.14 0.00 -1.71 0.00 0.00 66.02 64.84 2vyr s SER 89 CO 0.16 -0.39 1.11 0.72 1.20 0.00 0.00 173.24 176.04 2vyr s PHE 90 N -1.07 -0.25 0.02 3.44 -0.12 -0.39 -5.00 117.98 114.62 2vyr s PHE 90 Ca -0.11 0.35 -0.15 0.00 -0.05 0.00 0.00 56.93 56.97 2vyr s PHE 90 Cb -0.05 0.48 -0.06 0.00 -0.63 0.00 0.00 43.02 42.77 2vyr s PHE 90 CO 0.04 -0.27 0.43 0.45 -0.05 0.00 0.00 175.22 175.82 2vyr s SER 91 N -1.44 6.82 0.00 1.98 0.15 -1.26 0.21 113.70 120.16 2vyr s SER 91 Ca 0.03 0.98 0.20 0.00 0.70 0.00 0.00 55.95 57.87 2vyr s SER 91 Cb -0.01 -2.25 0.96 0.00 -1.71 0.00 0.00 66.02 63.01 2vyr s SER 91 CO -0.03 0.29 1.65 1.33 1.20 0.00 0.00 173.24 177.69 2vyr n VAL 92 N 1.66 0.48 0.19 4.45 0.24 0.03 -2.05 118.33 123.33 2vyr n VAL 92 Ca -0.13 0.12 0.02 0.00 -2.04 0.00 0.00 64.34 62.32 2vyr n VAL 92 Cb 0.52 -0.78 0.11 0.00 -1.47 0.00 0.00 33.84 32.23 2vyr n VAL 92 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 2vyr n LYS 93 N -1.39 0.03 -3.83 7.34 5.02 -1.26 -4.02 118.16 120.06 2vyr n LYS 93 Ca 0.07 0.35 -0.30 0.00 -2.02 0.00 0.00 58.31 56.42 2vyr n LYS 93 Cb 0.20 -1.50 -0.14 0.00 -0.02 0.00 0.00 35.03 33.57 2vyr n LYS 93 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2vyr s ASP 94 N -2.84 3.99 0.01 4.39 3.68 -0.87 -4.98 116.67 120.06 2vyr s ASP 94 Ca 0.03 -2.73 0.12 0.00 2.13 0.00 0.00 52.55 52.10 2vyr s ASP 94 Cb 0.03 -1.30 0.51 0.00 -1.45 0.00 0.00 42.92 40.70 2vyr s ASP 94 CO 0.08 -0.26 1.38 -2.65 0.13 0.00 0.00 175.17 173.85 2vyr n PRO 95 N 3.45 0.01 -0.12 4.34 -0.02 -1.26 -3.96 135.00 137.44 2vyr n PRO 95 Ca 0.06 0.31 -0.06 0.00 -2.02 0.00 0.00 63.50 61.80 2vyr n PRO 95 Cb 0.34 -1.52 0.01 0.00 -0.02 0.00 0.00 33.50 32.31 2vyr n PRO 95 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 2vyr h SER 96 N 0.00 -0.81 0.10 2.55 0.02 -1.94 0.48 113.55 113.95 2vyr h SER 96 Ca 0.00 0.17 -0.02 0.00 -0.84 0.00 0.00 61.79 61.10 2vyr h SER 96 Cb 0.20 0.42 -0.00 0.00 0.14 0.00 0.00 62.40 63.15 2vyr h SER 96 CO 0.00 -0.26 -0.08 -0.65 -1.14 0.00 0.00 176.83 174.70 2vyr h PRO 97 N -0.16 0.00 -0.08 3.45 0.11 -1.97 -2.52 132.00 130.83 2vyr h PRO 97 Ca 0.20 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.25 2vyr h PRO 97 Cb 0.47 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.58 2vyr h PRO 97 CO -0.51 0.08 -0.16 -0.07 -0.21 0.00 0.00 178.00 177.12 2vyr h LEU 98 N 0.00 0.28 -0.53 2.35 3.38 -0.44 -2.46 115.31 117.90 2vyr h LEU 98 Ca -0.00 -0.57 0.07 0.00 0.09 0.00 0.00 57.88 57.47 2vyr h LEU 98 Cb 0.15 -0.08 -0.06 0.00 0.09 0.00 0.00 40.66 40.76 2vyr h LEU 98 CO 0.01 0.80 0.19 1.88 0.09 0.00 0.00 178.44 181.41 2vyr h TYR 99 N -0.22 0.34 -0.03 1.13 0.99 -0.49 -1.26 116.97 117.43 2vyr h TYR 99 Ca 0.00 0.03 0.03 0.00 2.00 0.00 0.00 58.73 60.79 2vyr h TYR 99 Cb 0.75 -0.07 -0.05 0.00 1.00 0.00 0.00 36.73 38.36 2vyr h TYR 99 CO 0.11 0.11 -0.23 0.22 -0.00 0.00 0.00 178.16 178.37 2vyr h ASP 100 N 0.38 -0.69 -0.60 3.88 -0.00 -1.44 -0.38 116.42 117.57 2vyr h ASP 100 Ca 0.25 0.10 0.07 0.00 -0.00 0.00 0.00 57.03 57.46 2vyr h ASP 100 Cb 0.27 0.29 -0.06 0.00 -0.00 0.00 0.00 39.33 39.84 2vyr h ASP 100 CO -0.25 -0.30 0.28 -0.03 -0.00 0.00 0.00 179.24 178.94 2vyr h MET 101 N -0.35 0.50 -0.38 0.28 4.05 -1.07 -1.85 114.93 116.11 2vyr h MET 101 Ca 0.07 -0.03 -0.01 0.00 -0.28 0.00 0.00 59.70 59.45 2vyr h MET 101 Cb 0.45 -0.11 -0.02 0.00 -0.80 0.00 0.00 31.60 31.12 2vyr h MET 101 CO -0.23 0.33 0.19 -0.07 0.23 0.00 0.00 176.91 177.36 2vyr h LEU 102 N 0.51 0.49 -0.43 3.39 3.38 -0.67 -1.18 115.31 120.81 2vyr h LEU 102 Ca 0.29 -0.11 0.03 0.00 0.09 0.00 0.00 57.88 58.17 2vyr h LEU 102 Cb 0.27 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.86 2vyr h LEU 102 CO -0.23 0.46 0.23 -0.09 0.09 0.00 0.00 178.44 178.90 2vyr h ARG 103 N 0.47 0.45 0.00 1.13 2.43 -0.68 0.20 114.38 118.39 2vyr h ARG 103 Ca 0.13 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.27 2vyr h ARG 103 Cb 0.10 -0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 29.55 2vyr h ARG 103 CO -0.02 0.30 -0.02 0.87 -1.51 0.00 0.00 179.97 179.59 2vyr h LYS 104 N 0.46 0.00 -0.00 0.20 1.57 -1.15 -3.34 116.57 114.31 2vyr h LYS 104 Ca 0.18 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.96 2vyr h LYS 104 Cb 0.05 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.36 2vyr h LYS 104 CO -0.11 0.02 -0.00 0.09 -0.57 0.00 0.00 179.45 178.88 2vyr n ASN 105 N -3.11 0.69 -4.38 0.86 3.02 -0.46 -4.93 115.26 106.95 2vyr n ASN 105 Ca 0.02 -0.84 -0.34 0.00 -0.03 0.00 0.00 54.58 53.38 2vyr n ASN 105 Cb 0.38 0.33 -0.14 0.00 -0.61 0.00 0.00 39.78 39.74 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 -0.66 2.92 -0.32 3.41 1.43 0.65 -0.60 118.68 125.51 2vyr s LEU 106 Ca 0.00 -0.31 -0.10 0.00 -1.03 0.00 0.00 54.13 52.70 2vyr s LEU 106 Cb 0.00 -1.71 -0.01 0.00 0.03 0.00 0.00 46.19 44.51 2vyr s LEU 106 CO 0.00 0.09 0.17 -0.69 0.23 0.00 0.00 176.35 176.15 2vyr s VAL 107 N 0.83 4.68 0.31 -1.59 1.01 -0.48 -4.87 120.40 120.29 2vyr s VAL 107 Ca -0.02 -0.43 -0.29 0.00 0.00 0.00 0.00 61.98 61.24 2vyr s VAL 107 Cb -0.15 -3.41 -0.10 0.00 0.00 0.00 0.00 36.38 32.72 2vyr s VAL 107 CO 0.01 0.03 1.38 0.42 0.00 0.00 0.00 175.10 176.94 2vyr s THR 108 N 1.62 2.61 0.16 3.92 -4.23 -1.26 -0.95 115.64 117.51 2vyr s THR 108 Ca 0.05 0.57 0.04 0.00 -1.18 0.00 0.00 61.69 61.17 2vyr s THR 108 Cb -0.17 -3.37 -0.04 0.00 1.34 0.00 0.00 72.50 70.27 2vyr s THR 108 CO 0.07 0.12 0.23 -0.76 -0.54 0.00 0.00 174.62 173.74 2vyr s LEU 109 N -1.34 4.14 0.00 4.79 1.43 -0.88 -4.89 118.68 121.93 2vyr s LEU 109 Ca 0.53 0.05 0.00 0.00 -1.03 0.00 0.00 54.13 53.68 2vyr s LEU 109 Cb -0.41 -2.72 0.00 0.00 0.03 0.00 0.00 46.19 43.09 2vyr s LEU 109 CO 0.51 0.05 0.00 0.00 0.23 0.00 0.00 176.35 177.14