#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iyr n GLY 6 N 0.00 0.80 3.42 3.38 0.00 -1.26 -5.00 105.19 106.53 1iyr n GLY 6 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 1iyr n GLY 6 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1iyr s ILE 7 N -2.22 4.90 0.45 -0.61 -4.36 -1.26 -4.80 121.20 113.29 1iyr s ILE 7 Ca 0.00 -0.67 -0.23 0.00 -0.26 0.00 0.00 60.65 59.48 1iyr s ILE 7 Cb 0.00 -4.33 -0.08 0.00 1.25 0.00 0.00 42.46 39.30 1iyr s ILE 7 CO 0.00 -0.86 1.16 -0.44 0.24 0.00 0.00 174.94 175.04 1iyr s SER 8 N 2.91 6.24 1.17 4.36 0.01 -1.26 -5.00 113.70 122.13 1iyr s SER 8 Ca 0.13 2.31 -0.17 0.00 1.31 0.00 0.00 55.95 59.52 1iyr s SER 8 Cb -0.21 -2.60 0.19 0.00 0.21 0.00 0.00 66.02 63.61 1iyr s SER 8 CO 0.10 -0.87 0.37 0.54 0.41 0.00 0.00 173.24 173.79 1iyr n ARG 9 N -0.39 -2.31 -2.22 12.44 1.74 -1.26 -4.83 116.66 119.83 1iyr n ARG 9 Ca 0.07 -0.66 -0.43 0.00 -0.77 0.00 0.00 57.85 56.05 1iyr n ARG 9 Cb 0.48 -1.80 -0.02 0.00 -1.02 0.00 0.00 32.46 30.09 1iyr n ARG 9 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 1iyr s GLU 10 N -3.83 3.74 0.14 5.56 2.12 -1.26 -4.99 118.70 120.19 1iyr s GLU 10 Ca 0.58 1.42 0.04 0.00 0.36 0.00 0.00 54.97 57.36 1iyr s GLU 10 Cb -0.14 -4.01 -0.04 0.00 0.26 0.00 0.00 34.13 30.19 1iyr s GLU 10 CO 0.61 -1.35 -0.08 -0.08 -0.54 0.00 0.00 175.26 173.81 1iyr s THR 11 N 5.21 1.06 -0.93 -1.70 -1.32 -1.26 -5.10 115.64 111.59 1iyr s THR 11 Ca 0.67 -2.03 -0.04 0.00 -1.21 0.00 0.00 61.69 59.07 1iyr s THR 11 Cb -0.21 -1.86 0.23 0.00 -1.51 0.00 0.00 72.50 69.15 1iyr s THR 11 CO 0.29 -0.73 0.85 -0.44 -2.21 0.00 0.00 174.62 172.37 1iyr s SER 12 N -3.16 6.32 0.25 8.08 0.01 -1.26 -5.03 113.70 118.93 1iyr s SER 12 Ca 0.17 -3.62 0.05 0.00 1.31 0.00 0.00 55.95 53.86 1iyr s SER 12 Cb 0.03 -1.99 -0.05 0.00 0.21 0.00 0.00 66.02 64.22 1iyr s SER 12 CO 0.00 -0.23 -0.03 -0.44 0.41 0.00 0.00 173.24 172.96 1iyr s SER 13 N 0.34 2.25 -0.59 2.44 0.01 -1.26 -5.11 113.70 111.79 1iyr s SER 13 Ca 0.27 -1.21 -0.15 0.00 1.31 0.00 0.00 55.95 56.18 1iyr s SER 13 Cb -0.09 -0.07 0.15 0.00 0.21 0.00 0.00 66.02 66.22 1iyr s SER 13 CO -0.11 -0.44 0.53 1.51 0.41 0.00 0.00 173.24 175.14 1iyr s ASP 14 N -3.37 6.22 -0.23 2.44 -4.77 -1.26 -4.99 116.67 110.71 1iyr s ASP 14 Ca 0.29 -2.00 -0.08 0.00 -3.30 0.00 0.00 52.55 47.47 1iyr s ASP 14 Cb 0.05 -2.18 0.11 0.00 -1.09 0.00 0.00 42.92 39.81 1iyr s ASP 14 CO 0.10 -0.78 0.49 0.68 0.70 0.00 0.00 175.17 176.37 1iyr s VAL 15 N 1.27 -0.77 -0.76 2.11 -7.23 -1.26 -5.09 120.40 108.66 1iyr s VAL 15 Ca 0.06 0.11 -0.22 0.00 -1.81 0.00 0.00 61.98 60.12 1iyr s VAL 15 Cb -0.26 -0.78 0.09 0.00 0.56 0.00 0.00 36.38 35.99 1iyr s VAL 15 CO 0.00 0.04 1.05 0.00 -0.31 0.00 0.00 175.10 175.89 1iyr s ALA 16 N 2.71 3.15 -0.27 1.32 0.00 -1.26 -4.92 121.76 122.48 1iyr s ALA 16 Ca -0.02 -2.13 -0.21 0.00 0.00 0.00 0.00 51.96 49.61 1iyr s ALA 16 Cb -0.12 -3.97 0.07 0.00 0.00 0.00 0.00 23.12 19.10 1iyr s ALA 16 CO -0.15 -2.91 0.70 -0.51 0.00 0.00 0.00 175.76 172.90 1iyr s LEU 17 N 3.77 -0.84 -0.14 0.00 1.43 -1.26 -5.14 118.68 116.50 1iyr s LEU 17 Ca 0.27 1.48 0.01 0.00 -1.03 0.00 0.00 54.13 54.86 1iyr s LEU 17 Cb -0.12 2.43 0.02 0.00 0.03 0.00 0.00 46.19 48.55 1iyr s LEU 17 CO 0.03 -0.24 -0.15 0.00 0.23 0.00 0.00 176.35 176.22 1iyr s ALA 18 N 0.97 1.83 0.41 4.21 0.00 -1.26 -5.00 121.76 122.92 1iyr s ALA 18 Ca -0.05 -0.87 0.19 0.00 0.00 0.00 0.00 51.96 51.24 1iyr s ALA 18 Cb -0.05 -1.00 1.12 0.00 0.00 0.00 0.00 23.12 23.19 1iyr s ALA 18 CO -0.09 -0.31 1.80 0.77 0.00 0.00 0.00 175.76 177.93 1iyr h SER 19 N 7.90 0.41 0.00 0.00 0.02 -1.99 1.00 113.55 120.88 1iyr h SER 19 Ca -0.37 0.06 0.00 0.00 -0.84 0.00 0.00 61.79 60.65 1iyr h SER 19 Cb 1.15 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.68 1iyr h SER 19 CO 0.52 0.11 0.07 -0.74 -1.14 0.00 0.00 176.83 175.65 1iyr h HIS 20 N 0.38 0.00 0.05 3.45 -0.00 -1.96 1.17 115.15 118.23 1iyr h HIS 20 Ca 0.55 0.00 -0.18 0.00 -0.00 0.00 0.00 60.37 60.74 1iyr h HIS 20 Cb 1.45 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 28.85 1iyr h HIS 20 CO -0.00 0.00 -0.94 0.82 -0.00 0.00 0.00 177.93 177.80 1iyr h ILE 21 N 0.00 1.23 -0.06 6.26 2.04 0.62 -3.19 117.51 124.41 1iyr h ILE 21 Ca 0.00 -2.33 -0.20 0.00 1.00 0.00 0.00 64.86 63.34 1iyr h ILE 21 Cb 0.14 2.78 -0.00 0.00 -0.74 0.00 0.00 36.82 38.99 1iyr h ILE 21 CO 0.00 0.56 -0.79 0.17 0.00 0.00 0.00 178.15 178.09 1iyr h LEU 22 N -0.72 0.50 -0.67 1.44 8.10 -1.11 -1.54 115.31 121.32 1iyr h LEU 22 Ca -0.23 -0.35 -0.06 0.00 0.11 0.00 0.00 57.88 57.36 1iyr h LEU 22 Cb 1.40 -0.15 -0.03 0.00 -0.44 0.00 0.00 40.66 41.45 1iyr h LEU 22 CO -0.04 1.11 0.19 0.71 -4.11 0.00 0.00 178.44 176.30 1iyr h THR 23 N 0.27 1.25 -0.02 0.15 1.35 0.12 -2.23 112.91 113.80 1iyr h THR 23 Ca -0.04 -0.90 -0.16 0.00 -0.55 0.00 0.00 66.41 64.76 1iyr h THR 23 Cb 1.38 0.57 -0.02 0.00 -1.73 0.00 0.00 68.15 68.36 1iyr h THR 23 CO 0.14 0.34 -0.72 0.00 -0.25 0.00 0.00 175.52 175.03 1iyr h ALA 24 N 1.08 0.75 -0.83 6.62 0.00 -1.56 -2.64 119.26 122.67 1iyr h ALA 24 Ca 0.21 -0.63 0.24 0.00 0.00 0.00 0.00 54.91 54.73 1iyr h ALA 24 Cb 0.32 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 1iyr h ALA 24 CO -0.00 0.84 0.60 -0.07 0.00 0.00 0.00 179.25 180.62 1iyr h LEU 25 N 0.09 0.01 -1.23 0.00 3.38 -0.65 35.86 115.31 152.76 1iyr h LEU 25 Ca -0.02 0.00 0.26 0.00 0.09 0.00 0.00 57.88 58.21 1iyr h LEU 25 Cb 1.28 -0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.92 1iyr h LEU 25 CO 0.10 0.00 0.64 -0.09 0.09 0.00 0.00 178.44 179.19 1iyr h ARG 26 N 0.01 0.45 0.00 1.13 2.43 -1.31 -2.75 114.38 114.33 1iyr h ARG 26 Ca 0.40 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.51 1iyr h ARG 26 Cb 1.58 -0.10 -0.05 0.00 -0.42 0.00 0.00 29.97 30.98 1iyr h ARG 26 CO -0.01 0.30 -0.46 -1.91 -1.51 0.00 0.00 179.97 176.38 1iyr n GLU 27 N -4.72 0.00 -0.00 0.20 0.00 0.74 -4.79 120.64 112.07 1iyr n GLU 27 Ca 0.26 -0.93 -0.00 0.00 0.00 0.00 0.00 57.16 56.49 1iyr n GLU 27 Cb 0.83 -0.32 -0.00 0.00 0.00 0.00 0.00 31.44 31.95 1iyr n GLU 27 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.13 177.49 1iyr n LYS 28 N 0.06 0.00 0.00 5.31 2.85 10.48 -4.97 118.16 131.89 1iyr n LYS 28 Ca -0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 1iyr n LYS 28 Cb 0.71 -0.00 0.00 0.00 -0.65 0.00 0.00 35.03 35.09 1iyr n LYS 28 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1iyr n GLN 29 N 0.00 1.82 -2.96 -1.58 -0.00 -1.26 -4.83 117.38 108.57 1iyr n GLN 29 Ca 0.00 0.00 -0.44 0.00 -0.00 0.00 0.00 57.00 56.56 1iyr n GLN 29 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 30.24 30.23 1iyr n GLN 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1iyr s ALA 30 N -2.10 3.75 0.00 2.61 0.00 -1.26 -4.84 121.76 119.92 1iyr s ALA 30 Ca 0.00 -3.12 0.00 0.00 0.00 0.00 0.00 51.96 48.84 1iyr s ALA 30 Cb 0.00 -4.05 0.00 0.00 0.00 0.00 0.00 23.12 19.07 1iyr s ALA 30 CO 0.00 -2.83 1.23 -2.30 0.00 0.00 0.00 175.76 171.86 1iyr n PRO 31 N 5.88 0.84 -0.00 0.00 -0.02 -1.26 -1.34 135.00 139.11 1iyr n PRO 31 Ca 0.30 0.00 -0.00 0.00 -2.02 0.00 0.00 63.50 61.78 1iyr n PRO 31 Cb 0.46 -1.08 -0.00 0.00 -0.02 0.00 0.00 33.50 32.86 1iyr n PRO 31 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1iyr n GLU 32 N 1.03 0.02 -0.00 -0.52 4.71 -1.26 -4.22 120.64 120.41 1iyr n GLU 32 Ca 0.00 0.01 0.01 0.00 -0.01 0.00 0.00 57.16 57.17 1iyr n GLU 32 Cb 0.42 -0.38 -0.01 0.00 -1.01 0.00 0.00 31.44 30.46 1iyr n GLU 32 CO 0.00 0.00 0.00 1.47 0.09 0.00 0.00 177.13 178.69 1iyr n LEU 33 N -2.60 0.05 0.03 -4.62 -0.00 -1.23 -3.60 117.00 105.03 1iyr n LEU 33 Ca -0.01 -0.39 -0.18 0.00 -0.00 0.00 0.00 56.01 55.43 1iyr n LEU 33 Cb 0.02 0.00 -0.08 0.00 -0.00 0.00 0.00 43.42 43.36 1iyr n LEU 33 CO 0.01 0.01 0.15 -1.28 -0.00 0.00 0.00 177.39 176.29 1iyr h SER 34 N 0.00 0.83 -3.99 1.45 0.87 -1.55 -3.45 113.55 107.70 1iyr h SER 34 Ca 0.00 -0.63 -0.48 0.00 -1.23 0.00 0.00 61.79 59.46 1iyr h SER 34 Cb 0.04 -0.25 0.16 0.00 -0.44 0.00 0.00 62.40 61.91 1iyr h SER 34 CO 0.00 1.42 0.22 -0.76 -0.53 0.00 0.00 176.83 177.18 1iyr s LEU 35 N -8.10 2.09 0.00 2.23 1.02 -1.09 -5.01 118.68 109.82 1iyr s LEU 35 Ca -0.09 1.51 0.00 0.00 0.02 0.00 0.00 54.13 55.57 1iyr s LEU 35 Cb 0.08 -3.85 0.00 0.00 0.02 0.00 0.00 46.19 42.44 1iyr s LEU 35 CO 0.90 -2.87 0.00 -1.54 0.02 0.00 0.00 176.35 172.86 1iyr n SER 36 N -4.04 0.72 0.33 2.29 3.41 -1.26 -4.71 113.62 110.37 1iyr n SER 36 Ca 0.07 0.00 -0.17 0.00 -0.26 0.00 0.00 58.87 58.51 1iyr n SER 36 Cb 0.55 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.41 1iyr n SER 36 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 1iyr h SER 37 N 0.00 -0.69 0.74 4.04 0.87 -1.97 -0.31 113.55 116.23 1iyr h SER 37 Ca 0.00 0.01 -0.20 0.00 -1.23 0.00 0.00 61.79 60.37 1iyr h SER 37 Cb 0.00 0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 62.12 1iyr h SER 37 CO 0.00 -0.46 -0.92 1.56 -0.53 0.00 0.00 176.83 176.49 1iyr h GLN 38 N -0.86 0.11 0.19 2.24 7.50 -1.97 -2.33 115.11 119.98 1iyr h GLN 38 Ca -0.08 -0.13 -0.01 0.00 0.50 0.00 0.00 58.65 58.93 1iyr h GLN 38 Cb 0.64 0.04 0.00 0.00 0.05 0.00 0.00 27.48 28.22 1iyr h GLN 38 CO 0.14 0.94 -0.09 0.22 -1.50 0.00 0.00 178.83 178.54 1iyr h ASP 39 N 0.05 -0.22 -0.03 1.46 3.58 -1.93 0.29 116.42 119.63 1iyr h ASP 39 Ca -0.04 -0.31 -0.12 0.00 0.42 0.00 0.00 57.03 56.99 1iyr h ASP 39 Cb 1.58 0.06 -0.01 0.00 1.72 0.00 0.00 39.33 42.67 1iyr h ASP 39 CO 0.13 0.26 -0.35 0.25 -2.88 0.00 0.00 179.24 176.65 1iyr h LEU 40 N -0.76 0.54 0.02 2.28 6.46 -1.18 -2.50 115.31 120.16 1iyr h LEU 40 Ca -0.03 -0.22 -0.00 0.00 -0.12 0.00 0.00 57.88 57.51 1iyr h LEU 40 Cb 0.51 -0.15 0.00 0.00 -0.73 0.00 0.00 40.66 40.29 1iyr h LEU 40 CO 0.04 0.85 -0.01 1.05 -0.62 0.00 0.00 178.44 179.76 1iyr h GLU 41 N 0.44 -0.02 -0.95 1.25 4.11 -1.47 -2.09 114.58 115.84 1iyr h GLU 41 Ca 0.05 0.00 0.16 0.00 0.07 0.00 0.00 59.36 59.64 1iyr h GLU 41 Cb 0.82 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.99 1iyr h GLU 41 CO 0.07 0.68 0.60 -0.07 0.07 0.00 0.00 179.01 180.36 1iyr h LEU 42 N -0.76 0.69 -0.82 3.06 3.38 -0.45 0.59 115.31 121.00 1iyr h LEU 42 Ca -0.00 0.06 -0.11 0.00 0.09 0.00 0.00 57.88 57.92 1iyr h LEU 42 Cb 0.71 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.37 1iyr h LEU 42 CO 0.00 0.31 -0.30 0.58 0.09 0.00 0.00 178.44 179.13 1iyr h VAL 43 N 0.71 1.28 0.00 1.22 2.07 -1.47 -0.83 116.25 119.22 1iyr h VAL 43 Ca 0.50 -1.38 -0.01 0.00 0.82 0.00 0.00 66.70 66.63 1iyr h VAL 43 Cb 0.82 1.40 -0.00 0.00 -1.52 0.00 0.00 31.29 31.99 1iyr h VAL 43 CO -0.26 0.44 -0.05 0.74 0.02 0.00 0.00 177.57 178.46 1iyr h THR 44 N 0.47 0.33 -0.01 2.57 2.02 0.88 0.11 112.91 119.29 1iyr h THR 44 Ca 0.06 -0.27 0.00 0.00 0.77 0.00 0.00 66.41 66.97 1iyr h THR 44 Cb 0.75 1.20 0.00 0.00 -1.74 0.00 0.00 68.15 68.36 1iyr h THR 44 CO 0.06 0.05 -0.73 1.17 0.37 0.00 0.00 175.52 176.43 1iyr n LYS 45 N -3.46 0.51 -3.09 6.66 3.00 -0.61 -4.50 118.16 116.67 1iyr n LYS 45 Ca -0.02 -0.41 -0.44 0.00 -0.00 0.00 0.00 58.31 57.44 1iyr n LYS 45 Cb 0.17 -1.49 0.00 0.00 0.00 0.00 0.00 35.03 33.71 1iyr n LYS 45 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 1iyr n GLU 46 N -0.89 3.97 -0.63 1.64 0.00 0.40 -5.03 120.64 120.10 1iyr n GLU 46 Ca 0.07 -4.39 -0.30 0.00 0.00 0.00 0.00 57.16 52.54 1iyr n GLU 46 Cb 0.39 -2.59 0.21 0.00 0.00 0.00 0.00 31.44 29.44 1iyr n GLU 46 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 1iyr s ASP 47 N -0.02 1.91 0.00 4.31 1.01 -1.26 -4.47 116.67 118.16 1iyr s ASP 47 Ca 0.32 1.83 0.00 0.00 0.71 0.00 0.00 52.55 55.41 1iyr s ASP 47 Cb -0.01 -2.43 0.00 0.00 1.01 0.00 0.00 42.92 41.49 1iyr s ASP 47 CO 0.02 -3.67 0.21 -2.65 0.21 0.00 0.00 175.17 169.28 1iyr n PRO 48 N -4.59 0.00 -0.07 8.23 -0.02 -1.26 -2.42 135.00 134.88 1iyr n PRO 48 Ca 0.07 0.00 -0.08 0.00 -2.02 0.00 0.00 63.50 61.47 1iyr n PRO 48 Cb 0.53 -1.38 -0.06 0.00 -0.02 0.00 0.00 33.50 32.57 1iyr n PRO 48 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 1iyr h LYS 49 N 0.00 0.00 0.00 -0.52 3.64 -1.99 -3.25 116.57 114.45 1iyr h LYS 49 Ca 0.00 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.32 1iyr h LYS 49 Cb 0.00 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 1iyr h LYS 49 CO 0.00 0.47 -0.37 0.00 -2.27 0.00 0.00 179.45 177.28 1iyr h ALA 50 N -0.59 0.06 -0.98 5.00 0.00 -1.81 -3.30 119.26 117.65 1iyr h ALA 50 Ca -0.05 -0.55 0.23 0.00 0.00 0.00 0.00 54.91 54.55 1iyr h ALA 50 Cb 0.58 0.25 -0.08 0.00 0.00 0.00 0.00 17.79 18.54 1iyr h ALA 50 CO -0.03 0.24 0.64 1.37 0.00 0.00 0.00 179.25 181.47 1iyr h LEU 51 N -1.00 0.43 0.27 0.00 8.10 -1.75 -0.73 115.31 120.64 1iyr h LEU 51 Ca -0.08 0.06 -0.00 0.00 0.11 0.00 0.00 57.88 57.97 1iyr h LEU 51 Cb 0.77 -0.01 -0.02 0.00 -0.44 0.00 0.00 40.66 40.96 1iyr h LEU 51 CO -0.05 0.13 -0.24 0.00 -4.11 0.00 0.00 178.44 174.18 1iyr h ALA 52 N 1.61 -0.52 -0.91 0.17 0.00 -1.68 -0.95 119.26 116.98 1iyr h ALA 52 Ca 0.53 -0.08 0.18 0.00 0.00 0.00 0.00 54.91 55.54 1iyr h ALA 52 Cb 1.33 0.33 -0.07 0.00 0.00 0.00 0.00 17.79 19.38 1iyr h ALA 52 CO -0.23 -0.82 0.59 0.28 0.00 0.00 0.00 179.25 179.07 1iyr h VAL 53 N -0.53 0.73 0.00 0.00 2.07 -1.21 2.37 116.25 119.67 1iyr h VAL 53 Ca -0.01 -0.18 -0.08 0.00 0.82 0.00 0.00 66.70 67.24 1iyr h VAL 53 Cb 0.48 0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 30.38 1iyr h VAL 53 CO -0.03 0.10 -0.38 0.00 0.02 0.00 0.00 177.57 177.27 1iyr h ALA 54 N 1.61 1.08 -0.89 1.67 0.00 -1.14 -2.97 119.26 118.63 1iyr h ALA 54 Ca 0.48 -0.35 -0.52 0.00 0.00 0.00 0.00 54.91 54.52 1iyr h ALA 54 Cb 1.00 -0.06 -0.42 0.00 0.00 0.00 0.00 17.79 18.30 1iyr h ALA 54 CO -0.21 0.48 -0.84 1.47 0.00 0.00 0.00 179.25 180.14 1iyr n LEU 55 N -3.67 4.43 -3.82 0.00 -0.00 0.28 -3.58 117.00 110.64 1iyr n LEU 55 Ca -0.01 -4.64 -0.17 0.00 -0.00 0.00 0.00 56.01 51.19 1iyr n LEU 55 Cb 0.48 -0.26 -0.18 0.00 -0.00 0.00 0.00 43.42 43.47 1iyr n LEU 55 CO 0.37 2.01 1.70 0.59 -0.00 0.00 0.00 177.39 182.06 1iyr n ASN 56 N -0.63 -1.32 -1.14 1.45 3.02 0.73 -4.77 115.26 112.59 1iyr n ASN 56 Ca 0.38 -0.55 0.00 0.00 -0.03 0.00 0.00 54.58 54.38 1iyr n ASN 56 Cb 0.88 -0.46 0.00 0.00 -0.61 0.00 0.00 39.78 39.59 1iyr n ASN 56 CO 0.00 0.00 0.00 0.79 -2.62 0.00 0.00 177.26 175.43 1iyr n TRP 57 N 4.64 0.00 0.00 3.10 8.01 -1.26 -5.05 117.44 126.88 1iyr n TRP 57 Ca 0.52 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.71 1iyr n TRP 57 Cb 0.15 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.45 1iyr n TRP 57 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.69 176.43 1iyr n ASP 58 N -0.59 0.00 -0.08 -0.99 9.92 -1.26 -4.92 116.55 118.63 1iyr n ASP 58 Ca 0.00 0.00 -0.15 0.00 -0.53 0.00 0.00 54.79 54.11 1iyr n ASP 58 Cb 0.00 0.00 -0.05 0.00 -0.64 0.00 0.00 41.12 40.43 1iyr n ASP 58 CO 0.00 0.00 0.00 -0.38 0.13 0.00 0.00 177.20 176.95 1iyr n ILE 59 N -0.04 1.31 0.25 0.53 2.08 -1.26 -4.12 119.36 118.11 1iyr n ILE 59 Ca 0.00 -0.06 0.13 0.00 0.56 0.00 0.00 62.75 63.39 1iyr n ILE 59 Cb 0.00 -1.98 0.57 0.00 -0.75 0.00 0.00 39.64 37.48 1iyr n ILE 59 CO 0.00 0.00 0.00 0.11 0.56 0.00 0.00 176.55 177.22 1iyr h LYS 60 N -0.78 0.00 -0.03 0.38 6.56 -1.98 -1.71 116.57 119.02 1iyr h LYS 60 Ca -0.28 0.00 -0.09 0.00 -1.06 0.00 0.00 60.65 59.21 1iyr h LYS 60 Cb 1.14 0.00 0.01 0.00 -0.57 0.00 0.00 32.23 32.80 1iyr h LYS 60 CO -0.17 0.12 -0.35 -0.22 -2.06 0.00 0.00 179.45 176.76 1iyr h LYS 61 N 0.00 0.29 -0.27 3.15 3.64 -1.96 -1.91 116.57 119.51 1iyr h LYS 61 Ca -0.00 -0.27 -0.12 0.00 -1.27 0.00 0.00 60.65 58.99 1iyr h LYS 61 Cb 0.62 0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.50 1iyr h LYS 61 CO 0.02 0.95 -0.34 1.15 -2.27 0.00 0.00 179.45 178.96 1iyr h THR 62 N -0.28 1.29 -0.29 1.00 2.02 -1.67 -2.82 112.91 112.15 1iyr h THR 62 Ca -0.04 -1.46 -0.17 0.00 0.77 0.00 0.00 66.41 65.51 1iyr h THR 62 Cb 1.06 1.45 -0.00 0.00 -1.74 0.00 0.00 68.15 68.91 1iyr h THR 62 CO 0.07 0.46 -0.51 -0.33 0.37 0.00 0.00 175.52 175.59 1iyr h GLU 63 N 0.49 0.82 -0.79 6.66 5.08 -1.37 -2.55 114.58 122.91 1iyr h GLU 63 Ca 0.05 -0.49 -0.04 0.00 -1.00 0.00 0.00 59.36 57.88 1iyr h GLU 63 Cb 0.82 0.05 -0.04 0.00 0.50 0.00 0.00 28.75 30.08 1iyr h GLU 63 CO 0.07 1.13 0.34 0.00 -1.00 0.00 0.00 179.01 179.54 1iyr h THR 64 N 0.64 1.26 -0.51 1.13 1.03 -1.25 0.83 112.91 116.03 1iyr h THR 64 Ca 0.02 -0.77 -0.08 0.00 -0.01 0.00 0.00 66.41 65.58 1iyr h THR 64 Cb 1.09 0.28 -0.02 0.00 -1.07 0.00 0.00 68.15 68.44 1iyr h THR 64 CO 0.11 0.32 0.00 0.58 -0.01 0.00 0.00 175.52 176.52 1iyr h VAL 65 N 1.14 1.25 -0.14 0.00 2.07 -1.46 -2.11 116.25 116.99 1iyr h VAL 65 Ca 0.27 -1.04 -0.15 0.00 0.82 0.00 0.00 66.70 66.60 1iyr h VAL 65 Cb 0.17 0.86 -0.01 0.00 -1.52 0.00 0.00 31.29 30.79 1iyr h VAL 65 CO -0.03 0.37 -0.54 1.56 0.02 0.00 0.00 177.57 178.95 1iyr h GLN 66 N 0.80 0.42 -0.95 1.57 1.08 -0.90 -2.68 115.11 114.45 1iyr h GLN 66 Ca 0.15 -0.26 0.08 0.00 -1.45 0.00 0.00 58.65 57.17 1iyr h GLN 66 Cb 0.48 0.03 -0.07 0.00 -0.05 0.00 0.00 27.48 27.87 1iyr h GLN 66 CO 0.02 0.85 0.61 1.49 -0.95 0.00 0.00 178.83 180.86 1iyr h GLU 67 N 0.33 1.00 -0.09 1.46 4.81 0.13 -0.48 114.58 121.74 1iyr h GLU 67 Ca 0.01 -0.06 -0.07 0.00 -0.13 0.00 0.00 59.36 59.11 1iyr h GLU 67 Cb 1.05 -0.23 0.00 0.00 0.63 0.00 0.00 28.75 30.21 1iyr h GLU 67 CO 0.09 0.66 -0.22 0.00 -0.73 0.00 0.00 179.01 178.82 1iyr h ALA 68 N 1.51 0.15 -0.82 2.92 0.00 -1.34 -2.50 119.26 119.18 1iyr h ALA 68 Ca 0.43 -0.38 0.12 0.00 0.00 0.00 0.00 54.91 55.07 1iyr h ALA 68 Cb 0.29 -0.02 -0.08 0.00 0.00 0.00 0.00 17.79 17.98 1iyr h ALA 68 CO -0.18 0.11 0.44 0.00 0.00 0.00 0.00 179.25 179.62 1iyr h GLU 70 N 0.70 0.04 -0.95 0.00 5.08 -1.16 -2.47 114.58 115.82 1iyr h GLU 70 Ca 0.42 -0.03 0.25 0.00 -1.00 0.00 0.00 59.36 59.00 1iyr h GLU 70 Cb 0.48 0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.68 1iyr h GLU 70 CO -0.30 0.68 0.66 0.00 -1.00 0.00 0.00 179.01 179.05 1iyr h ARG 71 N -0.59 0.18 0.16 2.33 3.08 -1.21 0.40 114.38 118.73 1iyr h ARG 71 Ca -0.00 -0.01 -0.30 0.00 0.07 0.00 0.00 59.98 59.74 1iyr h ARG 71 Cb 0.68 -0.04 0.02 0.00 0.08 0.00 0.00 29.97 30.71 1iyr h ARG 71 CO 0.01 0.12 -1.29 0.93 -1.07 0.00 0.00 179.97 178.66 1iyr h GLU 72 N 0.19 0.45 -0.42 0.04 4.39 -1.43 -2.66 114.58 115.13 1iyr h GLU 72 Ca 0.48 -0.69 0.09 0.00 0.34 0.00 0.00 59.36 59.58 1iyr h GLU 72 Cb 1.58 0.25 -0.09 0.00 -0.10 0.00 0.00 28.75 30.38 1iyr h GLU 72 CO -0.11 1.32 -0.23 1.25 -1.16 0.00 0.00 179.01 180.07 1iyr h LEU 73 N 0.15 -0.79 -0.12 1.33 5.85 0.21 0.75 115.31 122.69 1iyr h LEU 73 Ca -0.18 0.17 -0.20 0.00 0.84 0.00 0.00 57.88 58.51 1iyr h LEU 73 Cb 1.99 0.41 -0.02 0.00 0.37 0.00 0.00 40.66 43.41 1iyr h LEU 73 CO 0.23 -0.26 -0.96 0.00 -0.34 0.00 0.00 178.44 177.12 1iyr h ALA 74 N 1.08 0.43 0.00 1.25 0.00 -1.58 -2.92 119.26 117.51 1iyr h ALA 74 Ca 0.20 -0.85 -0.13 0.00 0.00 0.00 0.00 54.91 54.14 1iyr h ALA 74 Cb 0.47 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1iyr h ALA 74 CO -0.52 1.13 -0.60 1.25 0.00 0.00 0.00 179.25 180.51 1iyr h LEU 75 N 0.02 0.00 0.05 0.00 6.46 -0.98 -3.01 115.31 117.84 1iyr h LEU 75 Ca -0.02 0.00 -0.25 0.00 -0.12 0.00 0.00 57.88 57.49 1iyr h LEU 75 Cb 1.67 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 41.60 1iyr h LEU 75 CO 0.13 0.60 -1.14 0.03 -0.62 0.00 0.00 178.44 177.44 1iyr h ARG 76 N 0.00 0.21 0.00 1.25 2.47 0.45 -3.18 114.38 115.58 1iyr h ARG 76 Ca -0.01 -0.33 -0.06 0.00 -1.26 0.00 0.00 59.98 58.32 1iyr h ARG 76 Cb 1.07 0.12 -0.01 0.00 -1.65 0.00 0.00 29.97 29.50 1iyr h ARG 76 CO 0.08 1.14 -0.29 1.37 0.56 0.00 0.00 179.97 182.83 1iyr h LEU 77 N 0.07 0.00 -0.11 3.04 8.10 -1.49 -2.13 115.31 122.79 1iyr h LEU 77 Ca -0.10 0.00 -0.19 0.00 0.11 0.00 0.00 57.88 57.71 1iyr h LEU 77 Cb 1.87 0.00 -0.03 0.00 -0.44 0.00 0.00 40.66 42.06 1iyr h LEU 77 CO 0.18 0.29 -0.90 1.56 -4.11 0.00 0.00 178.44 175.46 1iyr h GLN 78 N 0.00 0.00 -0.38 0.17 1.08 -1.58 -3.18 115.11 111.22 1iyr h GLN 78 Ca -0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1iyr h GLN 78 Cb 0.83 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.26 1iyr h GLN 78 CO 0.04 0.90 0.00 1.04 -0.95 0.00 0.00 178.83 179.86 1iyr n GLN 79 N -3.40 2.26 -0.30 1.46 6.02 -1.11 -4.43 117.38 117.88 1iyr n GLN 79 Ca 0.00 -1.92 0.35 0.00 -0.01 0.00 0.00 57.00 55.42 1iyr n GLN 79 Cb 0.87 -1.46 0.73 0.00 1.02 0.00 0.00 30.24 31.40 1iyr n GLN 79 CO 0.00 0.00 0.00 1.79 -1.01 0.00 0.00 177.06 177.84 1iyr h THR 80 N 3.59 0.32 -1.83 5.09 1.35 -1.37 -3.39 112.91 116.67 1iyr h THR 80 Ca 0.00 0.00 -0.60 0.00 -0.55 0.00 0.00 66.41 65.26 1iyr h THR 80 Cb 0.80 0.36 -0.00 0.00 -1.73 0.00 0.00 68.15 67.57 1iyr h THR 80 CO 0.00 0.00 1.47 1.67 -0.25 0.00 0.00 175.52 178.41 1iyr n GLN 81 N -4.01 1.84 -3.49 4.72 7.27 -1.26 -4.93 117.38 117.52 1iyr n GLN 81 Ca 0.25 0.51 -0.41 0.00 0.07 0.00 0.00 57.00 57.42 1iyr n GLN 81 Cb 1.28 -3.09 -0.10 0.00 2.41 0.00 0.00 30.24 30.74 1iyr n GLN 81 CO 0.00 0.00 0.00 -1.12 0.07 0.00 0.00 177.06 176.01 1iyr s SER 82 N 7.97 6.09 -0.55 1.69 0.01 -1.26 -5.04 113.70 122.61 1iyr s SER 82 Ca 1.02 -0.47 -0.16 0.00 1.31 0.00 0.00 55.95 57.65 1iyr s SER 82 Cb -0.44 -2.15 0.13 0.00 0.21 0.00 0.00 66.02 63.77 1iyr s SER 82 CO 0.38 -0.30 0.52 -0.76 0.41 0.00 0.00 173.24 173.49 1iyr s LEU 83 N 1.78 6.17 -0.19 2.44 2.01 -1.26 -4.84 118.68 124.79 1iyr s LEU 83 Ca 0.07 -1.80 0.02 0.00 0.01 0.00 0.00 54.13 52.43 1iyr s LEU 83 Cb -0.17 -2.21 -0.13 0.00 0.01 0.00 0.00 46.19 43.68 1iyr s LEU 83 CO 0.11 -0.86 -0.15 0.00 1.01 0.00 0.00 176.35 176.45 1iyr n HIS 84 N 5.26 0.00 -2.09 0.29 1.44 -1.26 -4.87 115.22 113.98 1iyr n HIS 84 Ca -0.13 0.00 -0.36 0.00 -2.01 0.00 0.00 57.72 55.23 1iyr n HIS 84 Cb 0.40 -0.74 -0.04 0.00 0.12 0.00 0.00 29.99 29.74 1iyr n HIS 84 CO 0.00 0.00 0.00 -1.54 -2.81 0.00 0.00 176.34 171.99 1iyr s SER 85 N -5.78 5.34 0.25 4.39 1.04 -1.26 -4.94 113.70 112.74 1iyr s SER 85 Ca -0.24 -0.05 0.03 0.00 0.48 0.00 0.00 55.95 56.17 1iyr s SER 85 Cb 0.06 -2.54 -0.05 0.00 0.10 0.00 0.00 66.02 63.59 1iyr s SER 85 CO 0.46 -2.41 0.01 -0.76 0.98 0.00 0.00 173.24 171.52 1iyr s LEU 86 N 8.98 2.14 0.00 2.42 1.43 -1.26 -5.27 118.68 127.12 1iyr s LEU 86 Ca 0.65 -1.26 0.00 0.00 -1.03 0.00 0.00 54.13 52.49 1iyr s LEU 86 Cb -0.10 -0.26 0.00 0.00 0.03 0.00 0.00 46.19 45.85 1iyr s LEU 86 CO 0.14 -0.54 0.00 -1.14 0.23 0.00 0.00 176.35 175.03