#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 1.93 3.89 3.41 0.00 -1.26 -5.06 105.19 108.10 1iyr n GLY 6 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 1iyr n GLY 6 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1iyr s ILE 7 N -2.00 4.85 0.42 -0.61 1.09 -1.26 -4.27 121.20 119.42 1iyr s ILE 7 Ca 0.00 0.40 -0.22 0.00 -1.10 0.00 0.00 60.65 59.72 1iyr s ILE 7 Cb 0.00 -3.84 -0.12 0.00 -1.06 0.00 0.00 42.46 37.44 1iyr s ILE 7 CO 0.00 -0.82 0.59 -1.20 -0.10 0.00 0.00 174.94 173.41 1iyr n SER 8 N -2.12 -0.68 -3.98 3.58 7.64 -1.26 -4.97 113.62 111.83 1iyr n SER 8 Ca 0.02 0.92 -0.30 0.00 1.01 0.00 0.00 58.87 60.52 1iyr n SER 8 Cb 0.55 -1.14 0.21 0.00 -1.01 0.00 0.00 64.21 62.82 1iyr n SER 8 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1iyr s ARG 9 N -1.63 -0.16 0.85 1.43 0.52 -1.26 -5.02 118.95 113.67 1iyr s ARG 9 Ca 0.63 -0.28 -0.13 0.00 -0.52 0.00 0.00 55.73 55.43 1iyr s ARG 9 Cb -0.60 -1.74 0.02 0.00 0.52 0.00 0.00 34.95 33.15 1iyr s ARG 9 CO 0.58 -2.97 -0.28 0.39 0.02 0.00 0.00 175.30 173.04 1iyr n GLU 10 N -4.19 -0.89 -1.45 3.54 1.02 -1.26 -4.37 120.64 113.04 1iyr n GLU 10 Ca 0.15 -0.26 -0.32 0.00 -0.02 0.00 0.00 57.16 56.70 1iyr n GLU 10 Cb 0.59 -1.22 -0.18 0.00 -0.02 0.00 0.00 31.44 30.62 1iyr n GLU 10 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1iyr n THR 11 N -3.72 0.00 -4.56 2.62 -2.24 -1.26 -4.86 114.28 100.27 1iyr n THR 11 Ca 0.01 -0.19 -0.30 0.00 -2.27 0.00 0.00 64.05 61.30 1iyr n THR 11 Cb 0.36 -0.29 -0.08 0.00 -2.10 0.00 0.00 70.33 68.22 1iyr n THR 11 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1iyr s SER 12 N 5.26 4.15 1.02 3.42 0.01 -1.26 -5.12 113.70 121.17 1iyr s SER 12 Ca 1.30 -1.47 -0.15 0.00 1.31 0.00 0.00 55.95 56.95 1iyr s SER 12 Cb -1.06 0.14 0.07 0.00 0.21 0.00 0.00 66.02 65.38 1iyr s SER 12 CO 0.51 -0.73 0.29 -1.54 0.41 0.00 0.00 173.24 172.17 1iyr n SER 13 N -1.23 -2.15 -4.55 2.44 3.41 -1.26 -4.75 113.62 105.52 1iyr n SER 13 Ca -0.11 0.16 -0.33 0.00 -0.26 0.00 0.00 58.87 58.33 1iyr n SER 13 Cb 0.66 -1.12 -0.04 0.00 -0.26 0.00 0.00 64.21 63.45 1iyr n SER 13 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1iyr s ASP 14 N -1.97 5.00 -0.35 4.04 -1.08 -1.26 -4.83 116.67 116.22 1iyr s ASP 14 Ca 0.57 0.15 0.04 0.00 -0.52 0.00 0.00 52.55 52.79 1iyr s ASP 14 Cb -0.18 -2.53 0.17 0.00 -1.46 0.00 0.00 42.92 38.91 1iyr s ASP 14 CO 0.67 -2.67 0.48 0.68 0.52 0.00 0.00 175.17 174.85 1iyr s VAL 15 N 10.26 -0.67 -0.69 1.11 -7.23 -1.26 -5.09 120.40 116.83 1iyr s VAL 15 Ca 0.74 -0.42 -0.19 0.00 -1.81 0.00 0.00 61.98 60.30 1iyr s VAL 15 Cb -0.12 -0.60 0.11 0.00 0.56 0.00 0.00 36.38 36.34 1iyr s VAL 15 CO 0.15 -0.28 0.85 0.00 -0.31 0.00 0.00 175.10 175.51 1iyr s ALA 16 N 1.99 3.37 0.15 1.32 0.00 -1.26 -4.94 121.76 122.39 1iyr s ALA 16 Ca 0.14 -2.30 -0.01 0.00 0.00 0.00 0.00 51.96 49.79 1iyr s ALA 16 Cb -0.11 -3.71 0.01 0.00 0.00 0.00 0.00 23.12 19.31 1iyr s ALA 16 CO -0.14 -2.57 0.22 1.28 0.00 0.00 0.00 175.76 174.55 1iyr n LEU 17 N 6.58 0.00 -4.12 0.00 4.77 -1.26 -5.16 117.00 117.81 1iyr n LEU 17 Ca -0.00 -1.18 -0.32 0.00 -0.03 0.00 0.00 56.01 54.47 1iyr n LEU 17 Cb 0.45 1.13 -0.16 0.00 -2.33 0.00 0.00 43.42 42.51 1iyr n LEU 17 CO 0.57 -0.28 -0.53 0.00 -1.33 0.00 0.00 177.39 175.82 1iyr s ALA 18 N -1.99 2.22 0.47 -1.18 0.00 -1.26 -4.67 121.76 115.34 1iyr s ALA 18 Ca 0.11 -1.12 0.23 0.00 0.00 0.00 0.00 51.96 51.18 1iyr s ALA 18 Cb -0.01 -1.09 1.26 0.00 0.00 0.00 0.00 23.12 23.27 1iyr s ALA 18 CO 0.08 -0.25 1.90 0.66 0.00 0.00 0.00 175.76 178.15 1iyr h SER 19 N 7.75 0.21 -0.03 0.00 4.64 -1.95 0.34 113.55 124.52 1iyr h SER 19 Ca -0.40 0.02 0.01 0.00 -0.47 0.00 0.00 61.79 60.94 1iyr h SER 19 Cb 1.16 -0.02 -0.00 0.00 -0.31 0.00 0.00 62.40 63.22 1iyr h SER 19 CO 0.59 0.09 0.03 -0.74 -0.87 0.00 0.00 176.83 175.93 1iyr h HIS 20 N 0.21 0.00 0.14 4.77 2.76 -1.94 -0.13 115.15 120.96 1iyr h HIS 20 Ca 0.41 0.00 -0.30 0.00 -2.20 0.00 0.00 60.37 58.28 1iyr h HIS 20 Cb 1.27 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.23 1iyr h HIS 20 CO -0.00 0.00 -1.41 0.82 -1.30 0.00 0.00 177.93 176.04 1iyr h ILE 21 N 0.00 1.31 -0.10 6.26 2.04 -0.74 -3.27 117.51 123.01 1iyr h ILE 21 Ca 0.01 -2.89 -0.17 0.00 1.00 0.00 0.00 64.86 62.81 1iyr h ILE 21 Cb 0.07 2.87 -0.01 0.00 -0.74 0.00 0.00 36.82 39.01 1iyr h ILE 21 CO -0.00 0.85 -0.67 -0.07 0.00 0.00 0.00 178.15 178.26 1iyr h LEU 22 N 0.08 0.47 -0.10 1.44 3.38 -1.14 -0.40 115.31 119.04 1iyr h LEU 22 Ca -0.20 -0.29 -0.00 0.00 0.09 0.00 0.00 57.88 57.48 1iyr h LEU 22 Cb 2.02 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 42.62 1iyr h LEU 22 CO 0.19 1.01 0.05 0.74 0.09 0.00 0.00 178.44 180.53 1iyr h THR 23 N 0.29 1.09 -0.15 0.22 2.02 -1.17 0.44 112.91 115.65 1iyr h THR 23 Ca -0.02 -0.26 -0.16 0.00 0.77 0.00 0.00 66.41 66.73 1iyr h THR 23 Cb 1.22 1.08 -0.01 0.00 -1.74 0.00 0.00 68.15 68.71 1iyr h THR 23 CO 0.12 0.08 -0.59 0.00 0.37 0.00 0.00 175.52 175.50 1iyr h ALA 24 N 0.95 0.70 -0.30 6.16 0.00 -1.61 -2.67 119.26 122.49 1iyr h ALA 24 Ca 0.04 -0.53 -0.05 0.00 0.00 0.00 0.00 54.91 54.37 1iyr h ALA 24 Cb 0.09 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1iyr h ALA 24 CO -0.01 0.70 0.00 -0.07 0.00 0.00 0.00 179.25 179.88 1iyr h LEU 25 N 0.37 0.52 -1.54 0.00 3.38 -0.83 3.85 115.31 121.06 1iyr h LEU 25 Ca -0.00 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 57.66 1iyr h LEU 25 Cb 1.13 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.74 1iyr h LEU 25 CO 0.11 0.70 0.00 -0.09 0.09 0.00 0.00 178.44 179.24 1iyr h ARG 26 N 0.33 0.00 0.00 1.13 2.43 0.23 -3.40 114.38 115.11 1iyr h ARG 26 Ca 0.09 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.26 1iyr h ARG 26 Cb 0.43 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.98 1iyr h ARG 26 CO 0.01 0.00 0.00 -1.91 -1.51 0.00 0.00 179.97 176.56 1iyr n GLU 27 N -2.40 0.00 -2.72 0.20 2.13 -0.48 -4.76 120.64 112.62 1iyr n GLU 27 Ca -0.01 0.00 -0.12 0.00 0.66 0.00 0.00 57.16 57.69 1iyr n GLU 27 Cb 0.08 0.00 0.02 0.00 0.27 0.00 0.00 31.44 31.81 1iyr n GLU 27 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1iyr n LYS 28 N -1.30 1.40 -3.18 5.31 4.76 0.89 -5.04 118.16 121.01 1iyr n LYS 28 Ca 0.00 -3.43 -0.39 0.00 -2.87 0.00 0.00 58.31 51.62 1iyr n LYS 28 Cb 0.00 -1.43 -0.06 0.00 -1.84 0.00 0.00 35.03 31.70 1iyr n LYS 28 CO 0.00 0.00 0.00 -1.14 -1.37 0.00 0.00 177.40 174.89 1iyr s GLN 29 N -3.08 4.31 -0.22 1.97 -0.44 1.07 -4.82 119.66 118.45 1iyr s GLN 29 Ca 0.31 0.87 -0.02 0.00 -2.50 0.00 0.00 55.36 54.02 1iyr s GLN 29 Cb 0.44 -3.24 -0.08 0.00 -1.64 0.00 0.00 33.01 28.49 1iyr s GLN 29 CO -0.00 0.62 0.61 0.00 0.50 0.00 0.00 175.29 177.01 1iyr n ALA 30 N 1.67 0.32 0.95 1.58 0.00 -1.26 -4.66 120.51 119.11 1iyr n ALA 30 Ca -0.09 -0.31 0.13 0.00 0.00 0.00 0.00 53.44 53.17 1iyr n ALA 30 Cb 0.50 -0.60 0.40 0.00 0.00 0.00 0.00 19.45 19.75 1iyr n ALA 30 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1iyr n PRO 31 N 1.79 0.03 0.00 0.00 -0.04 -1.26 -4.20 135.00 131.33 1iyr n PRO 31 Ca 0.15 0.02 0.00 0.00 -0.04 0.00 0.00 63.50 63.63 1iyr n PRO 31 Cb 0.09 -1.53 0.00 0.00 -0.04 0.00 0.00 33.50 32.02 1iyr n PRO 31 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1iyr n GLU 32 N -1.58 0.00 0.00 0.54 1.02 -1.26 0.26 120.64 119.62 1iyr n GLU 32 Ca 0.06 0.00 0.01 0.00 -0.02 0.00 0.00 57.16 57.21 1iyr n GLU 32 Cb 0.35 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.77 1iyr n GLU 32 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 1iyr n LEU 33 N -0.92 0.95 0.20 -4.62 7.94 -1.26 -4.00 117.00 115.28 1iyr n LEU 33 Ca 0.00 -0.90 0.14 0.00 -1.11 0.00 0.00 56.01 54.15 1iyr n LEU 33 Cb 0.00 0.00 0.53 0.00 0.53 0.00 0.00 43.42 44.48 1iyr n LEU 33 CO 0.00 0.22 0.92 0.28 -1.11 0.00 0.00 177.39 177.69 1iyr h SER 34 N 0.32 0.00 -4.24 1.96 0.02 -1.94 -3.44 113.55 106.23 1iyr h SER 34 Ca 0.00 0.00 -0.51 0.00 -0.84 0.00 0.00 61.79 60.44 1iyr h SER 34 Cb 0.08 0.00 0.12 0.00 0.14 0.00 0.00 62.40 62.73 1iyr h SER 34 CO 0.00 0.00 0.35 -0.76 -1.14 0.00 0.00 176.83 175.28 1iyr s LEU 35 N -5.46 3.25 0.00 5.07 1.43 -1.26 -4.82 118.68 116.89 1iyr s LEU 35 Ca 0.04 1.96 0.00 0.00 -1.03 0.00 0.00 54.13 55.10 1iyr s LEU 35 Cb 0.09 -4.54 0.00 0.00 0.03 0.00 0.00 46.19 41.77 1iyr s LEU 35 CO 0.52 -1.83 0.00 -1.54 0.23 0.00 0.00 176.35 173.72 1iyr n SER 36 N -2.85 0.74 0.41 2.29 3.41 -1.26 -4.86 113.62 111.50 1iyr n SER 36 Ca 0.10 0.00 -0.17 0.00 -0.26 0.00 0.00 58.87 58.54 1iyr n SER 36 Cb 0.52 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.39 1iyr n SER 36 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1iyr h SER 37 N 0.00 -0.91 0.83 4.04 0.02 -1.97 -2.69 113.55 112.87 1iyr h SER 37 Ca 0.00 0.02 -0.19 0.00 -0.84 0.00 0.00 61.79 60.78 1iyr h SER 37 Cb 0.00 0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.75 1iyr h SER 37 CO 0.00 -0.55 -0.91 1.56 -1.14 0.00 0.00 176.83 175.79 1iyr h GLN 38 N -1.25 0.05 -0.80 3.45 4.20 -1.99 -2.96 115.11 115.81 1iyr h GLN 38 Ca -0.11 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.54 1iyr h GLN 38 Cb 0.83 0.02 -0.04 0.00 0.30 0.00 0.00 27.48 28.59 1iyr h GLN 38 CO 0.18 0.92 0.50 0.22 -0.67 0.00 0.00 178.83 179.98 1iyr h ASP 39 N 0.02 0.94 0.34 1.46 1.82 -1.95 -0.57 116.42 118.48 1iyr h ASP 39 Ca -0.02 -0.04 -0.17 0.00 -0.39 0.00 0.00 57.03 56.40 1iyr h ASP 39 Cb 1.59 -0.24 -0.01 0.00 0.68 0.00 0.00 39.33 41.35 1iyr h ASP 39 CO 0.12 0.70 -0.69 0.25 -1.61 0.00 0.00 179.24 178.01 1iyr h LEU 40 N 1.09 0.37 0.70 2.28 6.46 -1.53 -2.26 115.31 122.41 1iyr h LEU 40 Ca 0.29 -0.24 -0.03 0.00 -0.12 0.00 0.00 57.88 57.78 1iyr h LEU 40 Cb -0.08 -0.11 0.01 0.00 -0.73 0.00 0.00 40.66 39.74 1iyr h LEU 40 CO -0.06 0.95 -0.34 -0.33 -0.62 0.00 0.00 178.44 178.05 1iyr h GLU 41 N 0.22 -0.90 -0.32 1.25 4.39 -1.23 0.32 114.58 118.31 1iyr h GLU 41 Ca -0.02 0.06 -0.02 0.00 0.34 0.00 0.00 59.36 59.72 1iyr h GLU 41 Cb 1.25 0.21 -0.02 0.00 -0.10 0.00 0.00 28.75 30.08 1iyr h GLU 41 CO 0.11 -0.58 0.11 1.37 -1.16 0.00 0.00 179.01 178.87 1iyr h LEU 42 N -1.16 0.41 -0.30 1.33 8.10 -1.22 -2.22 115.31 120.24 1iyr h LEU 42 Ca -0.10 -0.04 -0.20 0.00 0.11 0.00 0.00 57.88 57.65 1iyr h LEU 42 Cb 0.75 -0.10 0.00 0.00 -0.44 0.00 0.00 40.66 40.86 1iyr h LEU 42 CO 0.16 0.39 -0.76 0.58 -4.11 0.00 0.00 178.44 174.70 1iyr h VAL 43 N 0.45 1.34 0.00 0.15 2.07 -1.36 -2.74 116.25 116.17 1iyr h VAL 43 Ca 0.11 -2.08 -0.01 0.00 0.82 0.00 0.00 66.70 65.54 1iyr h VAL 43 Cb 0.12 2.07 -0.00 0.00 -1.52 0.00 0.00 31.29 31.96 1iyr h VAL 43 CO -0.01 0.64 -0.04 0.74 0.02 0.00 0.00 177.57 178.92 1iyr h THR 44 N 0.38 0.33 -0.02 2.57 2.02 0.26 0.42 112.91 118.87 1iyr h THR 44 Ca -0.04 -0.23 0.00 0.00 0.77 0.00 0.00 66.41 66.91 1iyr h THR 44 Cb 1.35 1.17 0.00 0.00 -1.74 0.00 0.00 68.15 68.93 1iyr h THR 44 CO 0.14 0.04 -0.34 1.17 0.37 0.00 0.00 175.52 176.90 1iyr n LYS 45 N -3.47 1.28 -3.02 6.66 4.81 -1.06 -4.45 118.16 118.91 1iyr n LYS 45 Ca -0.02 -0.99 -0.39 0.00 -0.87 0.00 0.00 58.31 56.04 1iyr n LYS 45 Cb 0.15 -1.48 -0.01 0.00 0.02 0.00 0.00 35.03 33.72 1iyr n LYS 45 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 1iyr n GLU 46 N 0.01 4.23 -0.58 1.64 2.13 0.14 -5.03 120.64 123.18 1iyr n GLU 46 Ca 0.11 -4.61 -0.28 0.00 0.66 0.00 0.00 57.16 53.04 1iyr n GLU 46 Cb 0.45 -2.45 0.25 0.00 0.27 0.00 0.00 31.44 29.96 1iyr n GLU 46 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 1iyr s ASP 47 N -1.94 1.04 0.00 4.31 1.01 -1.26 -3.96 116.67 115.87 1iyr s ASP 47 Ca 0.35 1.51 0.00 0.00 0.71 0.00 0.00 52.55 55.12 1iyr s ASP 47 Cb 0.10 -2.28 0.00 0.00 1.01 0.00 0.00 42.92 41.74 1iyr s ASP 47 CO 0.04 -4.16 0.37 -0.81 0.21 0.00 0.00 175.17 170.82 1iyr n PRO 48 N -4.89 0.00 -0.06 8.23 -0.04 -1.26 -0.35 135.00 136.63 1iyr n PRO 48 Ca 0.03 0.07 -0.08 0.00 -0.04 0.00 0.00 63.50 63.48 1iyr n PRO 48 Cb 0.54 -1.62 -0.06 0.00 -0.04 0.00 0.00 33.50 32.32 1iyr n PRO 48 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 1iyr h LYS 49 N 0.00 0.00 0.17 0.54 3.64 -1.98 -1.57 116.57 117.37 1iyr h LYS 49 Ca 0.00 0.00 -0.32 0.00 -1.27 0.00 0.00 60.65 59.06 1iyr h LYS 49 Cb 0.24 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.07 1iyr h LYS 49 CO 0.00 0.50 -1.52 0.00 -2.27 0.00 0.00 179.45 176.16 1iyr h ALA 50 N -0.53 0.10 -0.93 5.00 0.00 -1.60 -3.23 119.26 118.07 1iyr h ALA 50 Ca -0.02 -1.01 0.07 0.00 0.00 0.00 0.00 54.91 53.95 1iyr h ALA 50 Cb 0.54 0.24 -0.07 0.00 0.00 0.00 0.00 17.79 18.51 1iyr h ALA 50 CO -0.01 0.97 0.59 1.25 0.00 0.00 0.00 179.25 182.04 1iyr h LEU 51 N 0.10 0.92 -0.26 0.00 5.85 -0.82 -1.75 115.31 119.35 1iyr h LEU 51 Ca -0.25 0.02 0.04 0.00 0.84 0.00 0.00 57.88 58.53 1iyr h LEU 51 Cb 2.07 -0.17 -0.07 0.00 0.37 0.00 0.00 40.66 42.85 1iyr h LEU 51 CO 0.20 0.57 -0.55 0.00 -0.34 0.00 0.00 178.44 178.33 1iyr h ALA 52 N 1.44 -0.84 0.26 1.25 0.00 -1.29 1.57 119.26 121.64 1iyr h ALA 52 Ca 0.41 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.28 1iyr h ALA 52 Cb 0.21 1.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 1iyr h ALA 52 CO -0.19 -1.07 -0.20 0.28 0.00 0.00 0.00 179.25 178.07 1iyr h VAL 53 N -0.50 0.00 0.00 0.00 2.07 -1.49 1.58 116.25 117.91 1iyr h VAL 53 Ca 0.05 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.57 1iyr h VAL 53 Cb 0.64 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.41 1iyr h VAL 53 CO -0.51 0.00 0.21 0.00 0.02 0.00 0.00 177.57 177.29 1iyr n ALA 54 N -2.42 0.74 -2.07 1.67 0.00 -0.72 0.61 120.51 118.32 1iyr n ALA 54 Ca -0.05 0.14 -0.02 0.00 0.00 0.00 0.00 53.44 53.50 1iyr n ALA 54 Cb 0.19 -0.92 0.10 0.00 0.00 0.00 0.00 19.45 18.82 1iyr n ALA 54 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1iyr n LEU 55 N -2.06 2.62 -2.37 0.00 4.32 0.53 -2.43 117.00 117.61 1iyr n LEU 55 Ca -0.01 -3.50 -0.10 0.00 -0.02 0.00 0.00 56.01 52.37 1iyr n LEU 55 Cb 0.23 -0.23 -0.11 0.00 -1.62 0.00 0.00 43.42 41.70 1iyr n LEU 55 CO 0.06 1.29 1.04 -3.20 -1.22 0.00 0.00 177.39 175.37 1iyr n ASN 56 N -0.56 -0.83 -0.69 -1.43 2.85 0.53 -4.72 115.26 110.41 1iyr n ASN 56 Ca 0.20 -0.35 0.00 0.00 -0.11 0.00 0.00 54.58 54.31 1iyr n ASN 56 Cb 0.88 -0.29 0.00 0.00 1.24 0.00 0.00 39.78 41.61 1iyr n ASN 56 CO 0.00 0.00 0.00 0.79 -2.11 0.00 0.00 177.26 175.94 1iyr n TRP 57 N 2.87 -0.17 0.00 1.20 8.01 -1.24 -5.05 117.44 123.07 1iyr n TRP 57 Ca 0.32 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.51 1iyr n TRP 57 Cb 0.10 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.40 1iyr n TRP 57 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.69 173.21 1iyr n ASP 58 N -1.74 0.00 -0.11 -0.99 2.03 -1.26 -4.89 116.55 109.59 1iyr n ASP 58 Ca 0.00 0.00 -0.22 0.00 0.52 0.00 0.00 54.79 55.09 1iyr n ASP 58 Cb 0.00 0.00 -0.07 0.00 -0.72 0.00 0.00 41.12 40.33 1iyr n ASP 58 CO 0.00 0.00 0.00 -0.38 -1.92 0.00 0.00 177.20 174.90 1iyr n ILE 59 N -0.75 1.34 0.30 5.18 2.08 -1.26 -3.99 119.36 122.26 1iyr n ILE 59 Ca 0.00 -0.23 0.17 0.00 0.56 0.00 0.00 62.75 63.25 1iyr n ILE 59 Cb 0.00 -1.91 0.71 0.00 -0.75 0.00 0.00 39.64 37.69 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 -0.86 0.00 0.08 0.38 6.56 -1.99 -2.01 116.57 118.74 1iyr h LYS 60 Ca -0.48 0.00 -0.15 0.00 -1.06 0.00 0.00 60.65 58.95 1iyr h LYS 60 Cb 1.39 0.00 0.02 0.00 -0.57 0.00 0.00 32.23 33.07 1iyr h LYS 60 CO -0.29 0.00 -0.65 -0.22 -2.06 0.00 0.00 179.45 176.23 1iyr h LYS 61 N 0.00 0.29 -0.09 3.15 3.11 -1.95 -2.66 116.57 118.42 1iyr h LYS 61 Ca 0.00 -0.43 -0.14 0.00 -2.81 0.00 0.00 60.65 57.27 1iyr h LYS 61 Cb 0.45 0.15 -0.01 0.00 -1.00 0.00 0.00 32.23 31.82 1iyr h LYS 61 CO 0.00 1.16 -0.55 1.79 -2.81 0.00 0.00 179.45 179.04 1iyr h THR 62 N -0.37 1.36 -0.10 1.00 1.35 -1.64 -2.65 112.91 111.87 1iyr h THR 62 Ca -0.10 -1.86 -0.15 0.00 -0.55 0.00 0.00 66.41 63.75 1iyr h THR 62 Cb 1.46 1.90 -0.01 0.00 -1.73 0.00 0.00 68.15 69.77 1iyr h THR 62 CO 0.12 0.55 -0.59 1.05 -0.25 0.00 0.00 175.52 176.40 1iyr h GLU 63 N 0.22 0.32 -0.40 4.72 4.11 -1.48 -2.67 114.58 119.41 1iyr h GLU 63 Ca 0.00 -0.22 -0.09 0.00 0.07 0.00 0.00 59.36 59.12 1iyr h GLU 63 Cb 1.04 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.31 1iyr h GLU 63 CO 0.09 0.82 -0.13 1.15 0.07 0.00 0.00 179.01 181.01 1iyr h THR 64 N 0.24 1.26 -0.45 -1.06 2.02 -1.29 0.17 112.91 113.80 1iyr h THR 64 Ca -0.00 -1.17 -0.11 0.00 0.77 0.00 0.00 66.41 65.90 1iyr h THR 64 Cb 1.11 1.09 -0.02 0.00 -1.74 0.00 0.00 68.15 68.59 1iyr h THR 64 CO 0.10 0.39 -0.16 1.62 0.37 0.00 0.00 175.52 177.84 1iyr h VAL 65 N 0.65 1.27 0.18 3.16 3.04 -1.37 -2.13 116.25 121.06 1iyr h VAL 65 Ca 0.11 -1.28 -0.01 0.00 -1.01 0.00 0.00 66.70 64.51 1iyr h VAL 65 Cb 0.59 1.09 0.00 0.00 -2.01 0.00 0.00 31.29 30.97 1iyr h VAL 65 CO 0.04 0.44 -0.09 -0.61 -1.01 0.00 0.00 177.57 176.34 1iyr h GLN 66 N 0.76 -0.24 -0.81 4.17 5.75 -1.10 -2.46 115.11 121.18 1iyr h GLN 66 Ca 0.11 0.02 0.23 0.00 -0.15 0.00 0.00 58.65 58.86 1iyr h GLN 66 Cb 0.69 0.05 -0.04 0.00 1.07 0.00 0.00 27.48 29.26 1iyr h GLN 66 CO 0.05 0.08 0.58 1.49 -2.65 0.00 0.00 178.83 178.38 1iyr h GLU 67 N -0.57 0.06 -0.29 1.69 4.57 -0.61 0.25 114.58 119.69 1iyr h GLU 67 Ca -0.02 -0.00 -0.15 0.00 -1.18 0.00 0.00 59.36 58.00 1iyr h GLU 67 Cb 0.42 -0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 29.00 1iyr h GLU 67 CO 0.04 0.04 -0.40 0.00 -1.18 0.00 0.00 179.01 177.51 1iyr h ALA 68 N 1.60 0.44 -0.98 2.92 0.00 -1.11 -2.15 119.26 119.98 1iyr h ALA 68 Ca 0.39 -0.45 0.10 0.00 0.00 0.00 0.00 54.91 54.95 1iyr h ALA 68 Cb 1.46 -0.08 -0.08 0.00 0.00 0.00 0.00 17.79 19.09 1iyr h ALA 68 CO -0.03 0.54 0.63 0.00 0.00 0.00 0.00 179.25 180.39 1iyr h GLU 70 N 1.02 -0.18 -0.94 0.00 4.22 -1.44 -2.48 114.58 114.79 1iyr h GLU 70 Ca 0.46 0.01 0.18 0.00 0.08 0.00 0.00 59.36 60.10 1iyr h GLU 70 Cb 0.39 0.04 -0.08 0.00 0.50 0.00 0.00 28.75 29.60 1iyr h GLU 70 CO -0.22 0.27 0.60 -0.09 -2.18 0.00 0.00 179.01 177.39 1iyr h ARG 71 N -0.87 0.59 -0.07 1.92 2.43 -1.17 0.50 114.38 117.71 1iyr h ARG 71 Ca -0.02 -0.04 -0.21 0.00 -0.81 0.00 0.00 59.98 58.91 1iyr h ARG 71 Cb 0.53 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.95 1iyr h ARG 71 CO 0.03 0.39 -0.80 0.93 -1.51 0.00 0.00 179.97 179.01 1iyr h GLU 72 N 0.61 0.50 -0.46 0.20 4.39 -1.18 -2.73 114.58 115.90 1iyr h GLU 72 Ca 0.50 -0.44 0.02 0.00 0.34 0.00 0.00 59.36 59.78 1iyr h GLU 72 Cb 0.95 0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 29.67 1iyr h GLU 72 CO -0.25 1.08 0.27 1.25 -1.16 0.00 0.00 179.01 180.20 1iyr h LEU 73 N 0.33 0.43 -0.20 1.33 5.85 -0.42 -1.62 115.31 121.00 1iyr h LEU 73 Ca -0.05 0.01 -0.22 0.00 0.84 0.00 0.00 57.88 58.46 1iyr h LEU 73 Cb 1.40 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 42.35 1iyr h LEU 73 CO 0.14 0.30 -0.93 0.00 -0.34 0.00 0.00 178.44 177.62 1iyr h ALA 74 N 1.21 0.39 0.18 1.25 0.00 -1.49 -1.13 119.26 119.68 1iyr h ALA 74 Ca 0.19 -0.71 -0.01 0.00 0.00 0.00 0.00 54.91 54.38 1iyr h ALA 74 Cb 0.03 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1iyr h ALA 74 CO -0.09 0.83 -0.11 1.25 0.00 0.00 0.00 179.25 181.13 1iyr h LEU 75 N 0.21 -0.27 -0.60 0.00 7.12 -1.28 -2.77 115.31 117.72 1iyr h LEU 75 Ca -0.07 0.02 -0.10 0.00 0.13 0.00 0.00 57.88 57.85 1iyr h LEU 75 Cb 1.56 0.08 -0.01 0.00 -0.53 0.00 0.00 40.66 41.76 1iyr h LEU 75 CO 0.16 -0.18 -0.49 0.03 -0.13 0.00 0.00 178.44 177.82 1iyr h ARG 76 N -0.28 0.00 0.00 1.25 2.47 -1.38 -3.11 114.38 113.33 1iyr h ARG 76 Ca -0.02 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.70 1iyr h ARG 76 Cb 0.24 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.56 1iyr h ARG 76 CO 0.02 0.49 0.13 -0.07 0.56 0.00 0.00 179.97 181.11 1iyr h LEU 77 N 0.00 0.00 -1.16 3.04 3.38 -0.90 0.39 115.31 120.06 1iyr h LEU 77 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1iyr h LEU 77 Cb 1.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.87 1iyr h LEU 77 CO 0.06 0.00 0.00 1.56 0.09 0.00 0.00 178.44 180.15 1iyr h GLN 78 N 0.00 0.00 0.00 1.13 1.08 -1.49 -2.62 115.11 113.21 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 0.27 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.70 1iyr h GLN 78 CO 0.00 0.00 0.00 1.04 -0.95 0.00 0.00 178.83 178.92 1iyr n GLN 79 N -2.58 0.07 0.17 1.46 1.13 0.13 -2.61 117.38 115.14 1iyr n GLN 79 Ca 0.01 0.36 0.12 0.00 -1.94 0.00 0.00 57.00 55.55 1iyr n GLN 79 Cb 0.23 -1.64 0.63 0.00 0.11 0.00 0.00 30.24 29.57 1iyr n GLN 79 CO 0.00 0.00 0.00 1.15 -1.44 0.00 0.00 177.06 176.77 1iyr h THR 80 N 0.00 0.00 -2.01 5.09 2.02 -1.67 -3.44 112.91 112.89 1iyr h THR 80 Ca 0.00 -0.06 -0.23 0.00 0.77 0.00 0.00 66.41 66.89 1iyr h THR 80 Cb 0.23 0.64 0.13 0.00 -1.74 0.00 0.00 68.15 67.42 1iyr h THR 80 CO 0.00 0.00 -0.30 0.00 0.37 0.00 0.00 175.52 175.59 1iyr n GLN 81 N -2.35 -2.37 -1.22 6.66 1.13 -1.07 -4.84 117.38 113.32 1iyr n GLN 81 Ca -0.01 -0.70 -0.37 0.00 -1.94 0.00 0.00 57.00 53.98 1iyr n GLN 81 Cb 0.08 -1.50 0.04 0.00 0.11 0.00 0.00 30.24 28.97 1iyr n GLN 81 CO 0.00 0.00 0.00 -1.13 -1.44 0.00 0.00 177.06 174.49 1iyr n SER 82 N -1.46 -3.12 -4.57 1.08 3.41 -1.26 -4.92 113.62 102.78 1iyr n SER 82 Ca 0.06 0.55 -0.29 0.00 -0.26 0.00 0.00 58.87 58.93 1iyr n SER 82 Cb 0.37 -0.98 0.22 0.00 -0.26 0.00 0.00 64.21 63.55 1iyr n SER 82 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1iyr s LEU 83 N 3.52 1.39 0.21 1.04 1.43 -1.26 -4.94 118.68 120.07 1iyr s LEU 83 Ca 0.57 1.57 -0.01 0.00 -1.03 0.00 0.00 54.13 55.24 1iyr s LEU 83 Cb -0.38 -3.64 0.18 0.00 0.03 0.00 0.00 46.19 42.37 1iyr s LEU 83 CO 0.66 -3.73 1.54 1.12 0.23 0.00 0.00 176.35 176.17 1iyr h HIS 84 N -2.30 0.58 -3.05 0.29 2.07 -1.98 -3.43 115.15 107.33 1iyr h HIS 84 Ca -0.56 -0.20 -0.56 0.00 -2.85 0.00 0.00 60.37 56.19 1iyr h HIS 84 Cb 1.32 -0.11 -0.03 0.00 2.57 0.00 0.00 27.41 31.16 1iyr h HIS 84 CO 0.32 0.90 0.75 0.45 -3.07 0.00 0.00 177.93 177.28 1iyr s SER 85 N -6.91 7.05 0.60 3.10 0.15 -1.26 -5.03 113.70 111.40 1iyr s SER 85 Ca -0.06 1.71 -0.05 0.00 0.70 0.00 0.00 55.95 58.25 1iyr s SER 85 Cb 0.12 -2.55 0.02 0.00 -1.71 0.00 0.00 66.02 61.90 1iyr s SER 85 CO 0.82 -0.63 0.90 -0.22 1.20 0.00 0.00 173.24 175.32 1iyr s LEU 86 N 2.65 3.16 0.00 3.45 2.96 -1.26 -5.16 118.68 124.48 1iyr s LEU 86 Ca 0.54 0.53 0.00 0.00 -0.22 0.00 0.00 54.13 54.98 1iyr s LEU 86 Cb -0.22 -3.32 0.00 0.00 0.50 0.00 0.00 46.19 43.15 1iyr s LEU 86 CO 0.18 -1.19 0.00 0.54 -1.32 0.00 0.00 176.35 174.56