#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 0.31 3.42 1.09 0.00 -1.26 -4.86 105.19 103.89 1iyr n GLY 6 Ca 0.00 -0.70 -0.31 0.00 0.00 0.00 0.00 46.02 45.01 1iyr n GLY 6 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1iyr n ILE 7 N -3.70 0.00 -0.97 -0.61 3.06 -1.26 -4.11 119.36 111.76 1iyr n ILE 7 Ca -0.06 -0.27 -0.31 0.00 -2.50 0.00 0.00 62.75 59.60 1iyr n ILE 7 Cb 0.45 -0.77 0.01 0.00 0.54 0.00 0.00 39.64 39.88 1iyr n ILE 7 CO 0.00 0.00 0.00 -1.20 -2.50 0.00 0.00 176.55 172.85 1iyr n SER 8 N -2.88 -3.50 -3.99 9.51 7.64 -1.26 -4.60 113.62 114.54 1iyr n SER 8 Ca 0.04 0.44 -0.54 0.00 1.01 0.00 0.00 58.87 59.82 1iyr n SER 8 Cb 0.56 -0.68 -0.08 0.00 -1.01 0.00 0.00 64.21 63.01 1iyr n SER 8 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 1iyr n ARG 9 N 1.44 0.00 -4.67 1.43 0.00 -1.26 -4.96 116.66 108.64 1iyr n ARG 9 Ca 0.04 0.00 -0.30 0.00 -0.00 0.00 0.00 57.85 57.59 1iyr n ARG 9 Cb 0.40 -1.31 -0.07 0.00 0.00 0.00 0.00 32.46 31.48 1iyr n ARG 9 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.63 175.80 1iyr s GLU 10 N 0.83 2.13 1.00 -0.14 -1.05 -1.26 -5.12 118.70 115.08 1iyr s GLU 10 Ca 0.83 -2.35 -0.18 0.00 -0.15 0.00 0.00 54.97 53.12 1iyr s GLU 10 Cb -1.17 -1.07 -0.14 0.00 -0.44 0.00 0.00 34.13 31.31 1iyr s GLU 10 CO 0.57 -0.47 -0.79 0.25 0.95 0.00 0.00 175.26 175.76 1iyr n THR 11 N -1.15 0.00 -1.38 1.83 -2.24 -1.26 -4.35 114.28 105.72 1iyr n THR 11 Ca -0.15 -0.43 -0.13 0.00 -2.27 0.00 0.00 64.05 61.07 1iyr n THR 11 Cb 0.66 -0.05 -0.12 0.00 -2.10 0.00 0.00 70.33 68.72 1iyr n THR 11 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1iyr n SER 12 N 3.11 -0.67 -4.38 3.42 7.64 -1.26 -4.82 113.62 116.66 1iyr n SER 12 Ca -0.01 -1.20 -0.19 0.00 1.01 0.00 0.00 58.87 58.47 1iyr n SER 12 Cb 0.58 -0.91 -0.10 0.00 -1.01 0.00 0.00 64.21 62.77 1iyr n SER 12 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1iyr s SER 13 N 3.09 2.34 -0.45 6.43 0.15 -1.26 -5.12 113.70 118.88 1iyr s SER 13 Ca 0.82 -1.20 -0.07 0.00 0.70 0.00 0.00 55.95 56.21 1iyr s SER 13 Cb -0.38 -0.09 0.11 0.00 -1.71 0.00 0.00 66.02 63.95 1iyr s SER 13 CO 0.28 -0.41 0.29 -1.81 1.20 0.00 0.00 173.24 172.78 1iyr s ASP 14 N -3.38 5.53 -0.21 5.45 1.01 -1.26 -5.03 116.67 118.78 1iyr s ASP 14 Ca 0.29 -1.94 -0.04 0.00 0.71 0.00 0.00 52.55 51.57 1iyr s ASP 14 Cb 0.05 -1.94 0.10 0.00 1.01 0.00 0.00 42.92 42.14 1iyr s ASP 14 CO 0.10 -0.63 0.25 0.68 0.21 0.00 0.00 175.17 175.78 1iyr s VAL 15 N 1.28 -0.37 -0.71 -1.27 -7.23 -1.26 -5.09 120.40 105.75 1iyr s VAL 15 Ca 0.07 -0.13 -0.19 0.00 -1.81 0.00 0.00 61.98 59.92 1iyr s VAL 15 Cb -0.25 -0.72 0.12 0.00 0.56 0.00 0.00 36.38 36.09 1iyr s VAL 15 CO -0.02 -0.21 0.84 0.00 -0.31 0.00 0.00 175.10 175.40 1iyr s ALA 16 N 2.36 3.45 -0.14 1.32 0.00 -1.26 -4.95 121.76 122.54 1iyr s ALA 16 Ca 0.08 -2.44 -0.29 0.00 0.00 0.00 0.00 51.96 49.31 1iyr s ALA 16 Cb -0.16 -3.69 0.08 0.00 0.00 0.00 0.00 23.12 19.35 1iyr s ALA 16 CO -0.14 -2.54 0.76 -0.51 0.00 0.00 0.00 175.76 173.33 1iyr s LEU 17 N 2.55 -0.63 -0.16 0.00 1.43 -1.26 -5.04 118.68 115.57 1iyr s LEU 17 Ca 0.18 0.89 0.01 0.00 -1.03 0.00 0.00 54.13 54.19 1iyr s LEU 17 Cb -0.17 2.39 0.02 0.00 0.03 0.00 0.00 46.19 48.46 1iyr s LEU 17 CO 0.01 -0.44 -0.17 0.00 0.23 0.00 0.00 176.35 175.97 1iyr s ALA 18 N -0.64 2.08 0.48 4.21 0.00 -1.26 -4.88 121.76 121.74 1iyr s ALA 18 Ca -0.06 -1.04 0.25 0.00 0.00 0.00 0.00 51.96 51.12 1iyr s ALA 18 Cb -0.02 -1.08 1.30 0.00 0.00 0.00 0.00 23.12 23.32 1iyr s ALA 18 CO 0.05 -0.30 1.85 0.66 0.00 0.00 0.00 175.76 178.02 1iyr h SER 19 N 7.87 0.21 -0.15 0.00 4.64 -1.90 0.83 113.55 125.06 1iyr h SER 19 Ca -0.40 0.03 0.04 0.00 -0.47 0.00 0.00 61.79 60.99 1iyr h SER 19 Cb 1.15 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 63.22 1iyr h SER 19 CO 0.57 0.07 0.23 -0.74 -0.87 0.00 0.00 176.83 176.09 1iyr h HIS 20 N 0.20 0.00 0.24 4.77 -0.00 -1.95 0.21 115.15 118.61 1iyr h HIS 20 Ca 0.49 0.00 -0.33 0.00 -0.00 0.00 0.00 60.37 60.52 1iyr h HIS 20 Cb 1.57 0.00 0.03 0.00 -0.00 0.00 0.00 27.41 29.01 1iyr h HIS 20 CO -0.00 0.00 -1.51 0.82 -0.00 0.00 0.00 177.93 177.24 1iyr h ILE 21 N 0.00 1.21 -0.61 6.26 2.04 0.27 -3.28 117.51 123.41 1iyr h ILE 21 Ca 0.07 -2.64 -0.08 0.00 1.00 0.00 0.00 64.86 63.20 1iyr h ILE 21 Cb 0.54 2.99 -0.02 0.00 -0.74 0.00 0.00 36.82 39.59 1iyr h ILE 21 CO -0.00 0.81 0.05 -0.07 0.00 0.00 0.00 178.15 178.94 1iyr h LEU 22 N 0.10 0.99 -0.70 1.44 4.07 -0.64 -1.83 115.31 118.75 1iyr h LEU 22 Ca -0.27 -0.25 0.07 0.00 0.08 0.00 0.00 57.88 57.50 1iyr h LEU 22 Cb 2.13 -0.26 -0.06 0.00 1.08 0.00 0.00 40.66 43.54 1iyr h LEU 22 CO 0.25 1.02 0.39 0.74 -1.08 0.00 0.00 178.44 179.75 1iyr h THR 23 N 0.95 0.95 -0.00 0.22 2.02 -1.00 0.51 112.91 116.55 1iyr h THR 23 Ca 0.18 -0.24 -0.11 0.00 0.77 0.00 0.00 66.41 67.01 1iyr h THR 23 Cb 0.48 0.19 -0.02 0.00 -1.74 0.00 0.00 68.15 67.07 1iyr h THR 23 CO 0.02 0.13 -0.53 0.00 0.37 0.00 0.00 175.52 175.51 1iyr h ALA 24 N 1.37 1.12 -0.03 6.16 0.00 -1.56 -2.50 119.26 123.83 1iyr h ALA 24 Ca 0.32 -0.48 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 1iyr h ALA 24 Cb 0.23 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1iyr h ALA 24 CO -0.20 0.66 -0.08 -0.07 0.00 0.00 0.00 179.25 179.56 1iyr h LEU 25 N 0.00 0.12 -2.03 0.00 3.38 -0.23 3.15 115.31 119.70 1iyr h LEU 25 Ca -0.01 -0.61 0.10 0.00 0.09 0.00 0.00 57.88 57.45 1iyr h LEU 25 Cb 0.94 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.64 1iyr h LEU 25 CO 0.07 0.71 0.38 -0.09 0.09 0.00 0.00 178.44 179.60 1iyr h ARG 26 N -0.46 0.00 0.00 1.13 2.43 -0.00 -3.40 114.38 114.08 1iyr h ARG 26 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1iyr h ARG 26 Cb 0.70 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.25 1iyr h ARG 26 CO 0.02 0.00 0.00 0.39 -1.51 0.00 0.00 179.97 178.87 1iyr n GLU 27 N -3.67 0.00 -3.19 0.20 4.71 -0.95 -4.78 120.64 112.97 1iyr n GLU 27 Ca 0.05 0.00 -0.22 0.00 -0.01 0.00 0.00 57.16 56.99 1iyr n GLU 27 Cb 0.54 0.00 -0.05 0.00 -1.01 0.00 0.00 31.44 30.91 1iyr n GLU 27 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 1iyr n LYS 28 N -1.14 0.82 -3.23 3.49 4.76 0.43 -5.03 118.16 118.26 1iyr n LYS 28 Ca 0.00 -3.29 -0.39 0.00 -2.87 0.00 0.00 58.31 51.77 1iyr n LYS 28 Cb 0.00 -1.41 -0.06 0.00 -1.84 0.00 0.00 35.03 31.72 1iyr n LYS 28 CO 0.00 0.00 0.00 1.14 -1.37 0.00 0.00 177.40 177.17 1iyr s GLN 29 N -1.69 4.29 -1.14 1.97 -2.07 0.95 -4.86 119.66 117.11 1iyr s GLN 29 Ca 0.37 0.72 -0.08 0.00 -1.82 0.00 0.00 55.36 54.56 1iyr s GLN 29 Cb 0.24 -3.32 0.26 0.00 -1.09 0.00 0.00 33.01 29.10 1iyr s GLN 29 CO -0.10 0.42 1.41 0.00 -1.32 0.00 0.00 175.29 175.70 1iyr n ALA 30 N 2.53 4.71 0.20 2.60 0.00 -1.26 -4.84 120.51 124.45 1iyr n ALA 30 Ca -0.08 -4.61 0.00 0.00 0.00 0.00 0.00 53.44 48.75 1iyr n ALA 30 Cb 0.51 -2.57 0.00 0.00 0.00 0.00 0.00 19.45 17.39 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 2.73 0.61 0.00 0.00 -0.04 -1.26 -1.44 135.00 135.60 1iyr n PRO 31 Ca 0.29 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.75 1iyr n PRO 31 Cb 0.37 -1.20 0.00 0.00 -0.04 0.00 0.00 33.50 32.63 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 1.14 0.00 0.00 0.54 1.02 -1.26 -4.21 120.64 117.87 1iyr n GLU 32 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1iyr n GLU 32 Cb 0.30 -0.30 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 1iyr n GLU 32 CO 0.00 0.00 0.00 1.47 1.18 0.00 0.00 177.13 179.78 1iyr n LEU 33 N -2.39 0.00 0.08 -4.62 -0.00 -1.22 -3.25 117.00 105.60 1iyr n LEU 33 Ca 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 56.01 55.97 1iyr n LEU 33 Cb 0.00 0.00 0.15 0.00 -0.00 0.00 0.00 43.42 43.57 1iyr n LEU 33 CO 0.00 0.00 0.54 -1.28 -0.00 0.00 0.00 177.39 176.65 1iyr h SER 34 N 0.00 0.30 -4.39 1.45 0.87 -1.60 -3.44 113.55 106.74 1iyr h SER 34 Ca 0.00 -0.16 -0.49 0.00 -1.23 0.00 0.00 61.79 59.92 1iyr h SER 34 Cb 0.05 -0.09 0.09 0.00 -0.44 0.00 0.00 62.40 62.02 1iyr h SER 34 CO 0.00 0.78 0.38 -0.76 -0.53 0.00 0.00 176.83 176.69 1iyr s LEU 35 N -8.09 2.74 0.00 2.23 2.01 -0.66 -4.98 118.68 111.93 1iyr s LEU 35 Ca -0.05 1.20 0.00 0.00 0.01 0.00 0.00 54.13 55.30 1iyr s LEU 35 Cb 0.12 -3.90 0.00 0.00 0.01 0.00 0.00 46.19 42.42 1iyr s LEU 35 CO 0.79 -1.66 0.00 -1.20 1.01 0.00 0.00 176.35 175.29 1iyr n SER 36 N -3.22 0.86 0.50 2.29 7.64 -1.26 -4.68 113.62 115.75 1iyr n SER 36 Ca 0.07 0.00 -0.20 0.00 1.01 0.00 0.00 58.87 59.75 1iyr n SER 36 Cb 0.57 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.67 1iyr n SER 36 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 1iyr h SER 37 N 0.00 -1.07 0.85 6.43 0.87 -1.98 0.15 113.55 118.80 1iyr h SER 37 Ca 0.00 0.04 -0.23 0.00 -1.23 0.00 0.00 61.79 60.37 1iyr h SER 37 Cb 0.00 0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 62.22 1iyr h SER 37 CO 0.00 -0.75 -1.05 1.56 -0.53 0.00 0.00 176.83 176.06 1iyr h GLN 38 N -1.30 0.10 0.08 2.24 4.20 -1.97 -1.84 115.11 116.63 1iyr h GLN 38 Ca -0.13 -0.16 -0.00 0.00 0.06 0.00 0.00 58.65 58.42 1iyr h GLN 38 Cb 0.97 0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.81 1iyr h GLN 38 CO 0.21 1.05 -0.04 0.22 -0.67 0.00 0.00 178.83 179.61 1iyr h ASP 39 N 0.03 -0.09 0.55 1.46 1.82 -1.94 0.43 116.42 118.68 1iyr h ASP 39 Ca -0.05 -0.36 -0.11 0.00 -0.39 0.00 0.00 57.03 56.12 1iyr h ASP 39 Cb 1.79 0.02 -0.02 0.00 0.68 0.00 0.00 39.33 41.81 1iyr h ASP 39 CO 0.15 0.33 -0.54 0.25 -1.61 0.00 0.00 179.24 177.82 1iyr h LEU 40 N -0.53 0.00 0.18 2.28 6.46 -0.81 -2.38 115.31 120.50 1iyr h LEU 40 Ca -0.01 0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.74 1iyr h LEU 40 Cb 0.45 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.38 1iyr h LEU 40 CO 0.02 0.54 -0.09 -0.08 -0.62 0.00 0.00 178.44 178.21 1iyr h GLU 41 N 0.00 -0.23 -0.84 1.25 4.81 -1.28 -1.56 114.58 116.73 1iyr h GLU 41 Ca -0.01 0.02 0.17 0.00 -0.13 0.00 0.00 59.36 59.41 1iyr h GLU 41 Cb 0.96 0.05 -0.06 0.00 0.63 0.00 0.00 28.75 30.33 1iyr h GLU 41 CO 0.07 0.15 0.55 1.37 -0.73 0.00 0.00 179.01 180.42 1iyr h LEU 42 N -0.93 0.44 -0.64 1.64 8.10 -0.18 0.57 115.31 124.31 1iyr h LEU 42 Ca -0.02 0.03 -0.14 0.00 0.11 0.00 0.00 57.88 57.86 1iyr h LEU 42 Cb 0.48 -0.05 -0.01 0.00 -0.44 0.00 0.00 40.66 40.64 1iyr h LEU 42 CO 0.04 0.21 -0.49 0.58 -4.11 0.00 0.00 178.44 174.67 1iyr h VAL 43 N 0.46 1.32 0.00 0.15 2.07 -1.45 -2.33 116.25 116.48 1iyr h VAL 43 Ca 0.42 -1.71 -0.00 0.00 0.82 0.00 0.00 66.70 66.24 1iyr h VAL 43 Cb 0.95 1.71 -0.00 0.00 -1.52 0.00 0.00 31.29 32.43 1iyr h VAL 43 CO -0.16 0.53 -0.00 0.74 0.02 0.00 0.00 177.57 178.70 1iyr h THR 44 N 0.38 0.07 -0.02 2.57 2.02 0.12 0.41 112.91 118.46 1iyr h THR 44 Ca 0.02 -0.04 0.00 0.00 0.77 0.00 0.00 66.41 67.16 1iyr h THR 44 Cb 0.99 1.03 0.00 0.00 -1.74 0.00 0.00 68.15 68.44 1iyr h THR 44 CO 0.09 0.00 -0.38 0.29 0.37 0.00 0.00 175.52 175.89 1iyr n LYS 45 N -3.18 1.44 -2.11 6.66 4.76 -0.92 -4.62 118.16 120.19 1iyr n LYS 45 Ca -0.03 -1.11 -0.42 0.00 -2.87 0.00 0.00 58.31 53.88 1iyr n LYS 45 Cb 0.09 -1.44 0.00 0.00 -1.84 0.00 0.00 35.03 31.84 1iyr n LYS 45 CO 0.00 0.00 0.00 -1.91 -1.37 0.00 0.00 177.40 174.12 1iyr n GLU 46 N 0.18 3.26 -0.81 1.97 4.07 0.14 -4.97 120.64 124.48 1iyr n GLU 46 Ca 0.09 -3.13 -0.32 0.00 -0.06 0.00 0.00 57.16 53.74 1iyr n GLU 46 Cb 0.47 -3.11 0.14 0.00 -0.06 0.00 0.00 31.44 28.87 1iyr n GLU 46 CO 0.00 0.00 0.00 -0.40 -0.06 0.00 0.00 177.13 176.67 1iyr n ASP 47 N 5.12 -0.95 0.00 4.31 5.75 -1.26 -4.23 116.55 125.29 1iyr n ASP 47 Ca 0.45 0.40 0.00 0.00 -0.01 0.00 0.00 54.79 55.63 1iyr n ASP 47 Cb 0.38 -1.33 0.00 0.00 -1.03 0.00 0.00 41.12 39.15 1iyr n ASP 47 CO 0.00 0.00 0.00 -0.81 -0.11 0.00 0.00 177.20 176.28 1iyr n PRO 48 N -2.65 0.00 -0.07 0.11 -0.04 -1.26 -1.48 135.00 129.61 1iyr n PRO 48 Ca 0.09 0.04 -0.11 0.00 -0.04 0.00 0.00 63.50 63.49 1iyr n PRO 48 Cb 0.53 -1.51 -0.08 0.00 -0.04 0.00 0.00 33.50 32.40 1iyr n PRO 48 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 1iyr h LYS 49 N 0.00 0.00 0.00 0.54 1.57 -1.98 -3.28 116.57 113.42 1iyr h LYS 49 Ca 0.00 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.63 1iyr h LYS 49 Cb 0.02 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.31 1iyr h LYS 49 CO 0.00 0.61 -1.00 0.00 -0.57 0.00 0.00 179.45 178.49 1iyr n ALA 50 N -2.92 0.66 -0.31 3.86 0.00 -1.01 -3.66 120.51 117.13 1iyr n ALA 50 Ca -0.11 -0.47 0.25 0.00 0.00 0.00 0.00 53.44 53.10 1iyr n ALA 50 Cb 0.36 -0.33 0.55 0.00 0.00 0.00 0.00 19.45 20.03 1iyr n ALA 50 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1iyr h LEU 51 N -1.00 0.37 -0.01 0.00 6.46 -1.43 0.42 115.31 120.11 1iyr h LEU 51 Ca -0.22 0.07 -0.00 0.00 -0.12 0.00 0.00 57.88 57.60 1iyr h LEU 51 Cb 1.01 0.01 -0.00 0.00 -0.73 0.00 0.00 40.66 40.95 1iyr h LEU 51 CO -0.14 0.07 -0.00 0.00 -0.62 0.00 0.00 178.44 177.75 1iyr h ALA 52 N 1.59 0.01 -0.84 1.25 0.00 -1.69 -2.71 119.26 116.87 1iyr h ALA 52 Ca 0.58 -0.20 0.23 0.00 0.00 0.00 0.00 54.91 55.52 1iyr h ALA 52 Cb 1.60 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 19.35 1iyr h ALA 52 CO -0.24 -0.29 0.59 -0.24 0.00 0.00 0.00 179.25 179.07 1iyr h VAL 53 N -0.36 0.61 0.00 0.00 3.04 -0.99 2.42 116.25 120.96 1iyr h VAL 53 Ca 0.00 -0.03 -0.12 0.00 -1.01 0.00 0.00 66.70 65.54 1iyr h VAL 53 Cb 0.39 0.50 -0.02 0.00 -2.01 0.00 0.00 31.29 30.16 1iyr h VAL 53 CO 0.00 0.02 -0.57 0.00 -1.01 0.00 0.00 177.57 176.01 1iyr h ALA 54 N 1.59 0.79 -0.92 3.17 0.00 -1.31 -3.16 119.26 119.43 1iyr h ALA 54 Ca 0.41 -0.51 -0.52 0.00 0.00 0.00 0.00 54.91 54.29 1iyr h ALA 54 Cb 1.48 -0.09 -0.42 0.00 0.00 0.00 0.00 17.79 18.76 1iyr h ALA 54 CO -0.05 0.71 -0.84 1.47 0.00 0.00 0.00 179.25 180.54 1iyr n LEU 55 N -3.46 4.41 -3.82 0.00 -0.00 0.37 -3.81 117.00 110.69 1iyr n LEU 55 Ca 0.00 -4.65 -0.19 0.00 -0.00 0.00 0.00 56.01 51.17 1iyr n LEU 55 Cb 0.67 -0.26 -0.19 0.00 -0.00 0.00 0.00 43.42 43.63 1iyr n LEU 55 CO 0.41 2.01 1.77 -3.20 -0.00 0.00 0.00 177.39 178.38 1iyr n ASN 56 N -0.62 -1.22 -1.57 1.45 2.85 0.73 -4.77 115.26 112.10 1iyr n ASN 56 Ca 0.38 -0.45 -0.00 0.00 -0.11 0.00 0.00 54.58 54.39 1iyr n ASN 56 Cb 0.87 -0.46 -0.00 0.00 1.24 0.00 0.00 39.78 41.43 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 4.75 0.00 -2.63 1.20 8.01 -1.26 -5.05 117.44 122.47 1iyr n TRP 57 Ca 0.58 -0.04 -0.38 0.00 -1.31 0.00 0.00 57.50 56.34 1iyr n TRP 57 Cb 0.12 -0.00 -0.05 0.00 -2.01 0.00 0.00 31.31 29.36 1iyr n TRP 57 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.69 177.02 1iyr s ASP 58 N -1.04 7.21 0.19 -0.99 2.15 -1.26 -4.87 116.67 118.06 1iyr s ASP 58 Ca 0.00 2.02 -0.11 0.00 0.43 0.00 0.00 52.55 54.89 1iyr s ASP 58 Cb 0.00 -2.60 0.18 0.00 -0.30 0.00 0.00 42.92 40.20 1iyr s ASP 58 CO 0.00 -0.17 1.81 0.16 -0.17 0.00 0.00 175.17 176.80 1iyr h ILE 59 N 2.70 0.99 -0.81 4.11 -2.65 -1.97 0.22 117.51 120.09 1iyr h ILE 59 Ca -0.47 -0.22 0.08 0.00 1.03 0.00 0.00 64.86 65.28 1iyr h ILE 59 Cb 1.20 0.31 -0.07 0.00 -2.05 0.00 0.00 36.82 36.21 1iyr h ILE 59 CO 0.65 0.11 0.48 0.11 0.03 0.00 0.00 178.15 179.53 1iyr h LYS 60 N 0.63 0.81 0.13 0.16 6.56 -1.98 0.45 116.57 123.32 1iyr h LYS 60 Ca 0.26 -0.05 -0.28 0.00 -1.06 0.00 0.00 60.65 59.52 1iyr h LYS 60 Cb 0.12 -0.18 0.01 0.00 -0.57 0.00 0.00 32.23 31.61 1iyr h LYS 60 CO -0.15 0.53 -1.23 1.57 -2.06 0.00 0.00 179.45 178.11 1iyr h LYS 61 N 0.83 0.37 -0.07 3.15 2.10 -1.74 -1.90 116.57 119.31 1iyr h LYS 61 Ca 0.38 -0.57 -0.16 0.00 -2.00 0.00 0.00 60.65 58.29 1iyr h LYS 61 Cb 0.28 0.20 -0.01 0.00 -0.90 0.00 0.00 32.23 31.80 1iyr h LYS 61 CO -0.21 1.25 -0.65 0.00 -2.00 0.00 0.00 179.45 177.84 1iyr h THR 62 N 0.13 1.39 -0.21 0.07 1.03 -0.27 -2.67 112.91 112.38 1iyr h THR 62 Ca -0.15 -2.07 -0.16 0.00 -0.01 0.00 0.00 66.41 64.02 1iyr h THR 62 Cb 1.93 2.06 -0.01 0.00 -1.07 0.00 0.00 68.15 71.06 1iyr h THR 62 CO 0.21 0.61 -0.54 -0.33 -0.01 0.00 0.00 175.52 175.47 1iyr h GLU 63 N 0.21 0.63 -0.90 0.00 5.08 -0.17 -2.38 114.58 117.04 1iyr h GLU 63 Ca -0.01 -0.39 0.05 0.00 -1.00 0.00 0.00 59.36 58.00 1iyr h GLU 63 Cb 1.19 0.04 -0.05 0.00 0.50 0.00 0.00 28.75 30.42 1iyr h GLU 63 CO 0.10 1.01 0.59 1.15 -1.00 0.00 0.00 179.01 180.86 1iyr h THR 64 N 0.49 1.12 -0.23 1.13 2.02 -1.15 0.88 112.91 117.16 1iyr h THR 64 Ca 0.01 -0.37 -0.11 0.00 0.77 0.00 0.00 66.41 66.71 1iyr h THR 64 Cb 1.09 -0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 67.42 1iyr h THR 64 CO 0.11 0.20 -0.31 0.58 0.37 0.00 0.00 175.52 176.46 1iyr h VAL 65 N 1.09 1.28 -0.11 3.16 2.07 -1.27 -2.35 116.25 120.13 1iyr h VAL 65 Ca 0.37 -1.38 -0.19 0.00 0.82 0.00 0.00 66.70 66.32 1iyr h VAL 65 Cb 0.09 1.45 -0.00 0.00 -1.52 0.00 0.00 31.29 31.30 1iyr h VAL 65 CO -0.12 0.44 -0.72 1.56 0.02 0.00 0.00 177.57 178.75 1iyr h GLN 66 N 0.41 0.50 -0.51 1.57 1.08 -0.37 -2.45 115.11 115.35 1iyr h GLN 66 Ca 0.05 -0.40 -0.02 0.00 -1.45 0.00 0.00 58.65 56.83 1iyr h GLN 66 Cb 0.75 0.08 -0.02 0.00 -0.05 0.00 0.00 27.48 28.24 1iyr h GLN 66 CO 0.06 1.03 0.24 1.49 -0.95 0.00 0.00 178.83 180.69 1iyr h GLU 67 N 0.35 0.71 -0.24 1.46 4.81 0.96 -1.50 114.58 121.12 1iyr h GLU 67 Ca -0.03 -0.09 -0.18 0.00 -0.13 0.00 0.00 59.36 58.93 1iyr h GLU 67 Cb 1.30 -0.14 -0.00 0.00 0.63 0.00 0.00 28.75 30.54 1iyr h GLU 67 CO 0.13 0.56 -0.57 0.00 -0.73 0.00 0.00 179.01 178.40 1iyr h ALA 68 N 1.55 0.54 -0.77 2.92 0.00 -1.33 -2.75 119.26 119.42 1iyr h ALA 68 Ca 0.18 -0.52 0.12 0.00 0.00 0.00 0.00 54.91 54.69 1iyr h ALA 68 Cb 0.09 -0.08 -0.08 0.00 0.00 0.00 0.00 17.79 17.72 1iyr h ALA 68 CO -0.02 0.69 0.38 0.00 0.00 0.00 0.00 179.25 180.29 1iyr h GLU 70 N 0.59 -0.21 -0.87 0.00 5.08 -1.44 -1.73 114.58 116.00 1iyr h GLU 70 Ca 0.40 0.01 0.21 0.00 -1.00 0.00 0.00 59.36 58.99 1iyr h GLU 70 Cb 0.52 0.05 -0.06 0.00 0.50 0.00 0.00 28.75 29.76 1iyr h GLU 70 CO -0.33 0.22 0.59 0.00 -1.00 0.00 0.00 179.01 178.49 1iyr h ARG 71 N -0.80 0.27 0.08 2.33 3.08 -1.24 0.35 114.38 118.45 1iyr h ARG 71 Ca -0.02 -0.02 -0.27 0.00 0.07 0.00 0.00 59.98 59.74 1iyr h ARG 71 Cb 0.53 -0.06 0.03 0.00 0.08 0.00 0.00 29.97 30.54 1iyr h ARG 71 CO 0.04 0.18 -1.10 0.93 -1.07 0.00 0.00 179.97 178.94 1iyr h GLU 72 N 0.28 0.60 -0.44 0.04 3.07 -1.03 -2.43 114.58 114.66 1iyr h GLU 72 Ca 0.44 -0.76 0.09 0.00 -0.50 0.00 0.00 59.36 58.63 1iyr h GLU 72 Cb 1.28 0.24 -0.08 0.00 -0.84 0.00 0.00 28.75 29.34 1iyr h GLU 72 CO -0.12 1.33 -0.11 1.25 -1.40 0.00 0.00 179.01 179.95 1iyr h LEU 73 N 0.22 -0.42 -0.27 1.33 5.85 0.02 1.08 115.31 123.12 1iyr h LEU 73 Ca -0.16 0.13 -0.21 0.00 0.84 0.00 0.00 57.88 58.49 1iyr h LEU 73 Cb 1.78 0.28 -0.00 0.00 0.37 0.00 0.00 40.66 43.09 1iyr h LEU 73 CO 0.21 -0.15 -0.86 0.00 -0.34 0.00 0.00 178.44 177.30 1iyr h ALA 74 N 1.43 0.48 0.00 1.25 0.00 -1.56 -3.10 119.26 117.76 1iyr h ALA 74 Ca 0.21 -0.68 -0.05 0.00 0.00 0.00 0.00 54.91 54.39 1iyr h ALA 74 Cb 0.33 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1iyr h ALA 74 CO -0.46 0.82 -0.25 1.25 0.00 0.00 0.00 179.25 180.62 1iyr h LEU 75 N 0.21 0.00 -0.36 0.00 7.12 -0.82 -3.07 115.31 118.40 1iyr h LEU 75 Ca -0.06 0.00 -0.19 0.00 0.13 0.00 0.00 57.88 57.76 1iyr h LEU 75 Cb 1.47 0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 41.60 1iyr h LEU 75 CO 0.14 0.25 -0.79 -0.09 -0.13 0.00 0.00 178.44 177.82 1iyr h ARG 76 N 0.00 0.33 0.00 1.25 9.65 0.13 -3.38 114.38 122.36 1iyr h ARG 76 Ca -0.00 -0.30 0.00 0.00 -1.10 0.00 0.00 59.98 58.57 1iyr h ARG 76 Cb 0.74 0.07 0.00 0.00 -1.39 0.00 0.00 29.97 29.40 1iyr h ARG 76 CO 0.03 0.97 0.00 1.28 2.80 0.00 0.00 179.97 185.05 1iyr n LEU 77 N -3.78 0.79 0.00 3.80 4.32 -1.19 -4.95 117.00 115.99 1iyr n LEU 77 Ca -0.04 0.49 0.00 0.00 -0.02 0.00 0.00 56.01 56.43 1iyr n LEU 77 Cb 0.75 -0.23 0.00 0.00 -1.62 0.00 0.00 43.42 42.32 1iyr n LEU 77 CO 0.48 -0.23 0.00 0.00 -1.22 0.00 0.00 177.39 176.42 1iyr n GLN 78 N -1.19 0.00 0.01 3.23 6.02 -1.24 -5.08 117.38 119.14 1iyr n GLN 78 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1iyr n GLN 78 Cb 0.00 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.26 1iyr n GLN 78 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 177.06 176.99 1iyr n GLN 79 N -0.58 0.00 0.00 -1.09 7.27 -1.25 -4.84 117.38 116.89 1iyr n GLN 79 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.07 1iyr n GLN 79 Cb 0.00 -0.07 0.00 0.00 2.41 0.00 0.00 30.24 32.58 1iyr n GLN 79 CO 0.00 0.00 0.00 0.25 0.07 0.00 0.00 177.06 177.38 1iyr n THR 80 N -2.65 0.16 -1.54 1.69 -2.24 -1.21 -2.61 114.28 105.88 1iyr n THR 80 Ca 0.00 -0.33 -0.57 0.00 -2.27 0.00 0.00 64.05 60.88 1iyr n THR 80 Cb 0.00 1.26 -0.07 0.00 -2.10 0.00 0.00 70.33 69.42 1iyr n THR 80 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 1iyr n GLN 81 N -0.08 0.38 -3.35 -0.78 7.27 -1.16 -4.72 117.38 114.93 1iyr n GLN 81 Ca 0.00 0.14 -0.22 0.00 0.07 0.00 0.00 57.00 56.99 1iyr n GLN 81 Cb 0.21 -1.69 0.02 0.00 2.41 0.00 0.00 30.24 31.19 1iyr n GLN 81 CO 0.00 0.00 0.00 0.45 0.07 0.00 0.00 177.06 177.58 1iyr n SER 82 N 2.00 2.38 -4.35 1.69 2.88 -1.26 -4.04 113.62 112.92 1iyr n SER 82 Ca 0.20 -2.61 -0.42 0.00 -1.33 0.00 0.00 58.87 54.71 1iyr n SER 82 Cb 0.11 -0.15 -0.00 0.00 -0.75 0.00 0.00 64.21 63.42 1iyr n SER 82 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1iyr n LEU 83 N 0.00 -1.91 -0.02 2.46 4.77 -1.26 -4.90 117.00 116.14 1iyr n LEU 83 Ca 0.03 0.86 -0.16 0.00 -0.03 0.00 0.00 56.01 56.71 1iyr n LEU 83 Cb 0.56 -0.96 -0.10 0.00 -2.33 0.00 0.00 43.42 40.59 1iyr n LEU 83 CO 0.34 -3.74 0.36 -0.74 -1.33 0.00 0.00 177.39 172.28 1iyr h HIS 84 N 0.49 0.48 -1.47 -1.77 2.76 -2.05 -3.43 115.15 110.16 1iyr h HIS 84 Ca -0.37 -0.24 -0.59 0.00 -2.20 0.00 0.00 60.37 56.98 1iyr h HIS 84 Cb 1.43 -0.06 -0.01 0.00 1.55 0.00 0.00 27.41 30.32 1iyr h HIS 84 CO 0.32 1.01 1.52 0.43 -1.30 0.00 0.00 177.93 179.91 1iyr n SER 85 N -4.36 2.49 -4.50 3.26 7.64 -1.26 -4.88 113.62 112.01 1iyr n SER 85 Ca -0.09 0.11 -0.42 0.00 1.01 0.00 0.00 58.87 59.48 1iyr n SER 85 Cb 0.56 -1.42 -0.03 0.00 -1.01 0.00 0.00 64.21 62.31 1iyr n SER 85 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1iyr s LEU 86 N 8.89 4.14 0.00 -3.43 1.02 -1.26 -5.20 118.68 122.83 1iyr s LEU 86 Ca 1.05 -1.37 0.00 0.00 0.02 0.00 0.00 54.13 53.84 1iyr s LEU 86 Cb -0.53 -2.48 0.00 0.00 0.02 0.00 0.00 46.19 43.20 1iyr s LEU 86 CO 0.39 -1.41 0.00 -1.14 0.02 0.00 0.00 176.35 174.21