#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 1.68 3.38 3.38 0.00 -1.26 -5.11 105.19 107.26 1iyr n GLY 6 Ca 0.00 -0.11 -0.19 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.00 1.52 0.26 -0.61 -5.25 -1.26 -4.90 121.20 108.95 1iyr s ILE 7 Ca 0.00 -2.12 -0.19 0.00 -0.99 0.00 0.00 60.65 57.34 1iyr s ILE 7 Cb 0.00 -2.30 -0.09 0.00 2.95 0.00 0.00 42.46 43.03 1iyr s ILE 7 CO 0.00 -0.40 0.75 -0.55 -1.79 0.00 0.00 174.94 172.95 1iyr s SER 8 N -3.37 7.02 0.99 4.36 0.15 -1.26 -5.07 113.70 116.52 1iyr s SER 8 Ca 0.27 1.44 -0.14 0.00 0.70 0.00 0.00 55.95 58.22 1iyr s SER 8 Cb 0.03 -2.43 0.18 0.00 -1.71 0.00 0.00 66.02 62.09 1iyr s SER 8 CO 0.09 -0.04 1.14 0.00 1.20 0.00 0.00 173.24 175.64 1iyr s ARG 9 N -2.22 0.52 -0.14 5.44 1.70 -1.26 -4.93 118.95 118.06 1iyr s ARG 9 Ca 0.46 0.20 -0.29 0.00 -0.47 0.00 0.00 55.73 55.63 1iyr s ARG 9 Cb -0.15 -1.78 -0.05 0.00 -0.57 0.00 0.00 34.95 32.41 1iyr s ARG 9 CO 0.20 -2.60 1.74 -1.21 -1.08 0.00 0.00 175.30 172.36 1iyr s GLU 10 N -5.30 3.87 0.06 3.89 2.02 -1.26 -4.98 118.70 117.00 1iyr s GLU 10 Ca 0.66 1.98 0.05 0.00 0.02 0.00 0.00 54.97 57.68 1iyr s GLU 10 Cb -0.14 -4.08 -0.03 0.00 0.10 0.00 0.00 34.13 29.99 1iyr s GLU 10 CO 0.55 -1.22 -0.14 0.99 0.02 0.00 0.00 175.26 175.45 1iyr s THR 11 N 5.15 1.11 1.22 3.63 2.01 -1.26 -5.15 115.64 122.36 1iyr s THR 11 Ca 0.78 -1.24 -0.15 0.00 0.31 0.00 0.00 61.69 61.38 1iyr s THR 11 Cb -0.30 -1.06 0.28 0.00 0.01 0.00 0.00 72.50 71.43 1iyr s THR 11 CO 0.32 -0.17 0.79 -1.20 -0.69 0.00 0.00 174.62 173.67 1iyr n SER 12 N 1.42 -2.33 -4.55 3.53 7.64 -1.26 -4.75 113.62 113.31 1iyr n SER 12 Ca -0.20 -0.29 -0.30 0.00 1.01 0.00 0.00 58.87 59.08 1iyr n SER 12 Cb 0.54 -1.15 -0.04 0.00 -1.01 0.00 0.00 64.21 62.55 1iyr n SER 12 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1iyr s SER 13 N -2.36 4.82 0.00 6.43 0.01 -1.26 -4.85 113.70 116.49 1iyr s SER 13 Ca 0.66 0.13 0.00 0.00 1.31 0.00 0.00 55.95 58.05 1iyr s SER 13 Cb -0.21 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.48 1iyr s SER 13 CO 0.64 -2.86 0.00 -0.67 0.41 0.00 0.00 173.24 170.77 1iyr n ASP 14 N 14.80 1.37 -4.56 2.44 -0.08 -1.26 -5.02 116.55 124.24 1iyr n ASP 14 Ca 0.34 0.00 -0.23 0.00 -1.51 0.00 0.00 54.79 53.39 1iyr n ASP 14 Cb 0.50 0.00 -0.06 0.00 2.34 0.00 0.00 41.12 43.89 1iyr n ASP 14 CO 0.00 0.00 0.00 0.68 0.12 0.00 0.00 177.20 178.00 1iyr s VAL 15 N 0.53 3.33 -0.67 5.18 -7.23 -1.26 -4.84 120.40 115.44 1iyr s VAL 15 Ca 0.00 -0.35 -0.26 0.00 -1.81 0.00 0.00 61.98 59.56 1iyr s VAL 15 Cb 0.00 -3.86 -0.12 0.00 0.56 0.00 0.00 36.38 32.96 1iyr s VAL 15 CO 0.00 -0.68 2.42 0.00 -0.31 0.00 0.00 175.10 176.53 1iyr n ALA 16 N 15.51 0.54 -3.35 1.32 0.00 -1.26 -4.84 120.51 128.42 1iyr n ALA 16 Ca 0.42 -1.18 -0.46 0.00 0.00 0.00 0.00 53.44 52.22 1iyr n ALA 16 Cb 0.46 -3.23 -0.03 0.00 0.00 0.00 0.00 19.45 16.66 1iyr n ALA 16 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1iyr s LEU 17 N 13.42 6.61 0.70 0.00 1.43 -1.26 -5.05 118.68 134.52 1iyr s LEU 17 Ca 0.97 -2.59 -0.16 0.00 -1.03 0.00 0.00 54.13 51.32 1iyr s LEU 17 Cb -0.18 -2.19 -0.04 0.00 0.03 0.00 0.00 46.19 43.81 1iyr s LEU 17 CO 0.17 -0.60 0.63 0.00 0.23 0.00 0.00 176.35 176.79 1iyr n ALA 18 N 4.11 -1.15 -0.19 4.21 0.00 -1.26 -4.61 120.51 121.62 1iyr n ALA 18 Ca 0.10 -0.19 0.24 0.00 0.00 0.00 0.00 53.44 53.58 1iyr n ALA 18 Cb 0.46 -1.91 0.63 0.00 0.00 0.00 0.00 19.45 18.62 1iyr n ALA 18 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1iyr h SER 19 N -0.23 0.19 -0.13 0.00 4.64 -1.97 0.37 113.55 116.43 1iyr h SER 19 Ca -0.46 0.02 -0.00 0.00 -0.47 0.00 0.00 61.79 60.88 1iyr h SER 19 Cb 1.35 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 63.42 1iyr h SER 19 CO 0.44 0.07 0.08 0.45 -0.87 0.00 0.00 176.83 177.00 1iyr h HIS 20 N 0.18 0.18 0.22 4.77 3.86 -1.96 0.99 115.15 123.39 1iyr h HIS 20 Ca 0.43 0.00 -0.31 0.00 -1.16 0.00 0.00 60.37 59.33 1iyr h HIS 20 Cb 1.41 -0.06 0.03 0.00 1.06 0.00 0.00 27.41 29.85 1iyr h HIS 20 CO -0.00 0.13 -1.42 0.82 0.86 0.00 0.00 177.93 178.32 1iyr h ILE 21 N 0.19 1.25 -0.00 2.45 2.04 -0.57 -3.18 117.51 119.69 1iyr h ILE 21 Ca 0.05 -2.63 -0.13 0.00 1.00 0.00 0.00 64.86 63.14 1iyr h ILE 21 Cb 0.00 3.02 -0.02 0.00 -0.74 0.00 0.00 36.82 39.08 1iyr h ILE 21 CO -0.01 0.80 -0.64 -0.07 0.00 0.00 0.00 178.15 178.23 1iyr h LEU 22 N 0.04 0.01 -0.01 1.44 3.38 -0.90 0.45 115.31 119.72 1iyr h LEU 22 Ca -0.26 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.71 1iyr h LEU 22 Cb 2.06 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.81 1iyr h LEU 22 CO 0.23 0.64 0.00 0.71 0.09 0.00 0.00 178.44 180.12 1iyr h THR 23 N 0.00 1.16 -0.04 0.22 1.35 0.91 0.61 112.91 117.12 1iyr h THR 23 Ca -0.01 -0.46 -0.18 0.00 -0.55 0.00 0.00 66.41 65.21 1iyr h THR 23 Cb 1.13 1.46 -0.01 0.00 -1.73 0.00 0.00 68.15 69.00 1iyr h THR 23 CO 0.08 0.12 -0.76 0.00 -0.25 0.00 0.00 175.52 174.71 1iyr h ALA 24 N 0.81 0.61 -0.02 6.62 0.00 -1.55 -2.64 119.26 123.09 1iyr h ALA 24 Ca 0.00 -0.64 -0.02 0.00 0.00 0.00 0.00 54.91 54.25 1iyr h ALA 24 Cb 0.20 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1iyr h ALA 24 CO -0.00 0.81 -0.07 1.25 0.00 0.00 0.00 179.25 181.23 1iyr h LEU 25 N 0.19 0.10 -0.52 0.00 5.85 -0.82 4.10 115.31 124.22 1iyr h LEU 25 Ca -0.03 -0.64 0.00 0.00 0.84 0.00 0.00 57.88 58.05 1iyr h LEU 25 Cb 1.34 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 42.34 1iyr h LEU 25 CO 0.12 0.72 0.00 -1.14 -0.34 0.00 0.00 178.44 177.81 1iyr n ARG 26 N -4.69 0.06 0.00 1.25 0.63 0.21 -4.34 116.66 109.78 1iyr n ARG 26 Ca -0.09 0.51 0.00 0.00 -0.92 0.00 0.00 57.85 57.35 1iyr n ARG 26 Cb 0.36 -1.68 0.00 0.00 0.45 0.00 0.00 32.46 31.59 1iyr n ARG 26 CO 0.00 0.00 0.00 -1.91 -2.51 0.00 0.00 177.63 173.21 1iyr n GLU 27 N -1.81 0.00 -2.87 -0.14 2.13 -1.00 -4.78 120.64 112.18 1iyr n GLU 27 Ca 0.00 0.00 -0.16 0.00 0.66 0.00 0.00 57.16 57.66 1iyr n GLU 27 Cb 0.05 0.00 -0.00 0.00 0.27 0.00 0.00 31.44 31.76 1iyr n GLU 27 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 1iyr n LYS 28 N -1.21 1.54 -3.10 5.31 3.00 0.44 -5.04 118.16 119.10 1iyr n LYS 28 Ca 0.00 -3.60 -0.39 0.00 -0.00 0.00 0.00 58.31 54.32 1iyr n LYS 28 Cb 0.00 -1.63 -0.06 0.00 0.00 0.00 0.00 35.03 33.35 1iyr n LYS 28 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.40 178.54 1iyr s GLN 29 N -2.94 4.41 -1.09 1.64 0.00 1.25 -4.85 119.66 118.07 1iyr s GLN 29 Ca 0.36 0.95 -0.07 0.00 -0.00 0.00 0.00 55.36 56.60 1iyr s GLN 29 Cb 0.39 -3.30 0.28 0.00 0.00 0.00 0.00 33.01 30.39 1iyr s GLN 29 CO -0.05 0.48 1.18 0.00 0.00 0.00 0.00 175.29 176.90 1iyr n ALA 30 N 2.14 4.44 0.56 2.60 0.00 -1.26 -4.82 120.51 124.17 1iyr n ALA 30 Ca -0.06 -4.70 0.00 0.00 0.00 0.00 0.00 53.44 48.68 1iyr n ALA 30 Cb 0.50 -2.37 0.00 0.00 0.00 0.00 0.00 19.45 17.58 1iyr n ALA 30 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1iyr n PRO 31 N 2.29 0.88 0.00 0.00 -0.02 -1.26 0.78 135.00 137.67 1iyr n PRO 31 Ca 0.24 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.72 1iyr n PRO 31 Cb 0.37 -1.06 0.00 0.00 -0.02 0.00 0.00 33.50 32.79 1iyr n PRO 31 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 1iyr n GLU 32 N 0.80 0.00 0.00 -0.52 0.28 -1.26 -4.21 120.64 115.73 1iyr n GLU 32 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 1iyr n GLU 32 Cb 0.44 -0.24 0.00 0.00 1.43 0.00 0.00 31.44 33.07 1iyr n GLU 32 CO 0.00 0.00 0.00 1.47 -0.16 0.00 0.00 177.13 178.44 1iyr n LEU 33 N -2.48 0.00 0.09 -1.84 -0.00 -1.23 -2.65 117.00 108.87 1iyr n LEU 33 Ca 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 56.01 55.93 1iyr n LEU 33 Cb 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 43.42 43.38 1iyr n LEU 33 CO 0.00 0.00 0.21 -1.28 -0.00 0.00 0.00 177.39 176.32 1iyr h SER 34 N 0.00 0.15 -3.17 1.45 0.87 -1.76 -3.46 113.55 107.62 1iyr h SER 34 Ca 0.00 -0.13 -0.58 0.00 -1.23 0.00 0.00 61.79 59.85 1iyr h SER 34 Cb 0.38 -0.05 0.17 0.00 -0.44 0.00 0.00 62.40 62.47 1iyr h SER 34 CO 0.00 0.99 -0.24 0.00 -0.53 0.00 0.00 176.83 177.05 1iyr n LEU 35 N -3.56 1.68 0.00 2.23 -0.00 0.23 -4.98 117.00 112.61 1iyr n LEU 35 Ca -0.03 0.74 0.00 0.00 -0.00 0.00 0.00 56.01 56.73 1iyr n LEU 35 Cb 0.85 -1.24 0.00 0.00 -0.00 0.00 0.00 43.42 43.03 1iyr n LEU 35 CO 0.47 -2.71 0.00 -0.24 -0.00 0.00 0.00 177.39 174.92 1iyr n SER 36 N 0.02 0.58 0.33 1.45 2.88 -1.26 -4.88 113.62 112.73 1iyr n SER 36 Ca 0.12 0.00 -0.14 0.00 -1.33 0.00 0.00 58.87 57.52 1iyr n SER 36 Cb 0.48 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.87 1iyr n SER 36 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1iyr h SER 37 N 0.00 -0.74 1.05 -3.46 0.02 -1.99 -3.22 113.55 105.21 1iyr h SER 37 Ca 0.00 0.01 -0.20 0.00 -0.84 0.00 0.00 61.79 60.76 1iyr h SER 37 Cb 0.00 0.19 -0.03 0.00 0.14 0.00 0.00 62.40 62.70 1iyr h SER 37 CO 0.00 -0.35 -0.96 1.56 -1.14 0.00 0.00 176.83 175.94 1iyr h GLN 38 N -1.20 0.00 0.06 3.45 1.08 -1.98 -2.98 115.11 113.54 1iyr h GLN 38 Ca -0.09 0.00 0.01 0.00 -1.45 0.00 0.00 58.65 57.12 1iyr h GLN 38 Cb 0.68 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.10 1iyr h GLN 38 CO 0.15 0.93 -0.09 -0.44 -0.95 0.00 0.00 178.83 178.43 1iyr h ASP 39 N 0.00 -0.23 0.67 1.46 3.32 -1.95 -0.29 116.42 119.40 1iyr h ASP 39 Ca -0.02 0.03 -0.17 0.00 0.02 0.00 0.00 57.03 56.90 1iyr h ASP 39 Cb 1.73 0.09 -0.02 0.00 0.22 0.00 0.00 39.33 41.35 1iyr h ASP 39 CO 0.12 -0.13 -0.76 0.25 -1.72 0.00 0.00 179.24 177.00 1iyr h LEU 40 N -0.18 0.08 0.69 1.55 6.46 -1.69 -2.40 115.31 119.83 1iyr h LEU 40 Ca 0.01 -0.06 -0.03 0.00 -0.12 0.00 0.00 57.88 57.68 1iyr h LEU 40 Cb 0.19 -0.03 0.01 0.00 -0.73 0.00 0.00 40.66 40.10 1iyr h LEU 40 CO -0.04 0.81 -0.33 -0.33 -0.62 0.00 0.00 178.44 177.93 1iyr h GLU 41 N 0.04 -0.90 -0.19 1.25 5.08 -1.32 0.60 114.58 119.15 1iyr h GLU 41 Ca -0.02 0.06 -0.05 0.00 -1.00 0.00 0.00 59.36 58.35 1iyr h GLU 41 Cb 1.34 0.20 -0.01 0.00 0.50 0.00 0.00 28.75 30.78 1iyr h GLU 41 CO 0.11 -0.58 -0.12 -0.07 -1.00 0.00 0.00 179.01 177.34 1iyr h LEU 42 N -1.00 0.29 -0.34 1.33 3.38 -1.14 -2.57 115.31 115.26 1iyr h LEU 42 Ca -0.10 -0.06 -0.19 0.00 0.09 0.00 0.00 57.88 57.62 1iyr h LEU 42 Cb 0.73 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.41 1iyr h LEU 42 CO 0.16 0.44 -0.75 0.58 0.09 0.00 0.00 178.44 178.95 1iyr h VAL 43 N 0.29 1.36 0.00 1.22 2.07 -1.26 -2.81 116.25 117.13 1iyr h VAL 43 Ca 0.06 -2.13 -0.03 0.00 0.82 0.00 0.00 66.70 65.42 1iyr h VAL 43 Cb 0.39 2.11 -0.00 0.00 -1.52 0.00 0.00 31.29 32.27 1iyr h VAL 43 CO 0.02 0.65 -0.12 0.71 0.02 0.00 0.00 177.57 178.84 1iyr h THR 44 N 0.32 0.56 -0.01 2.57 1.35 0.61 0.01 112.91 118.32 1iyr h THR 44 Ca -0.04 -0.57 0.00 0.00 -0.55 0.00 0.00 66.41 65.26 1iyr h THR 44 Cb 1.34 1.37 0.00 0.00 -1.73 0.00 0.00 68.15 69.14 1iyr h THR 44 CO 0.13 0.12 -0.22 0.29 -0.25 0.00 0.00 175.52 175.60 1iyr n LYS 45 N -3.62 1.15 -2.23 4.72 5.02 -1.07 -4.43 118.16 117.71 1iyr n LYS 45 Ca -0.02 -0.75 -0.42 0.00 -2.02 0.00 0.00 58.31 55.11 1iyr n LYS 45 Cb 0.25 -1.48 0.00 0.00 -0.02 0.00 0.00 35.03 33.78 1iyr n LYS 45 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1iyr n GLU 46 N -0.27 3.66 -0.70 1.97 -0.58 -0.01 -4.99 120.64 119.72 1iyr n GLU 46 Ca 0.13 -3.42 -0.32 0.00 -0.42 0.00 0.00 57.16 53.14 1iyr n GLU 46 Cb 0.38 -2.92 0.16 0.00 -0.57 0.00 0.00 31.44 28.49 1iyr n GLU 46 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1iyr n ASP 47 N 3.81 -1.72 0.00 1.62 9.92 -1.26 -3.68 116.55 125.24 1iyr n ASP 47 Ca 0.44 0.17 0.00 0.00 -0.53 0.00 0.00 54.79 54.87 1iyr n ASP 47 Cb 0.35 -1.19 0.00 0.00 -0.64 0.00 0.00 41.12 39.64 1iyr n ASP 47 CO 0.00 0.00 0.00 -0.81 0.13 0.00 0.00 177.20 176.52 1iyr n PRO 48 N -2.62 0.00 -0.04 -0.24 -0.04 -1.26 0.67 135.00 131.47 1iyr n PRO 48 Ca 0.06 0.18 -0.17 0.00 -0.04 0.00 0.00 63.50 63.53 1iyr n PRO 48 Cb 0.56 -1.75 -0.13 0.00 -0.04 0.00 0.00 33.50 32.13 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 0.08 0.06 0.54 3.11 -1.98 -2.31 116.57 116.07 1iyr h LYS 49 Ca 0.00 -0.13 -0.28 0.00 -2.81 0.00 0.00 60.65 57.42 1iyr h LYS 49 Cb 0.50 0.05 -0.02 0.00 -1.00 0.00 0.00 32.23 31.76 1iyr h LYS 49 CO 0.00 1.06 -1.49 0.00 -2.81 0.00 0.00 179.45 176.22 1iyr h ALA 50 N -0.04 0.44 -0.63 5.00 0.00 -1.31 -3.27 119.26 119.45 1iyr h ALA 50 Ca -0.09 -1.18 0.07 0.00 0.00 0.00 0.00 54.91 53.71 1iyr h ALA 50 Cb 1.22 0.26 -0.06 0.00 0.00 0.00 0.00 17.79 19.21 1iyr h ALA 50 CO 0.01 1.30 0.31 1.25 0.00 0.00 0.00 179.25 182.12 1iyr h LEU 51 N 0.03 0.41 -0.13 0.00 6.46 0.16 0.38 115.31 122.63 1iyr h LEU 51 Ca -0.21 0.05 0.02 0.00 -0.12 0.00 0.00 57.88 57.62 1iyr h LEU 51 Cb 1.96 -0.02 -0.04 0.00 -0.73 0.00 0.00 40.66 41.83 1iyr h LEU 51 CO 0.13 0.25 -0.30 0.00 -0.62 0.00 0.00 178.44 177.90 1iyr h ALA 52 N 1.37 -0.63 0.46 1.25 0.00 -1.46 0.80 119.26 121.05 1iyr h ALA 52 Ca 0.30 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.17 1iyr h ALA 52 Cb 0.27 0.86 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1iyr h ALA 52 CO -0.23 -0.76 -0.24 -0.24 0.00 0.00 0.00 179.25 177.78 1iyr h VAL 53 N -0.28 0.00 0.00 0.00 3.04 -1.56 1.19 116.25 118.65 1iyr h VAL 53 Ca 0.03 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.72 1iyr h VAL 53 Cb 0.35 0.00 0.00 0.00 -2.01 0.00 0.00 31.29 29.63 1iyr h VAL 53 CO -0.27 0.00 0.35 0.00 -1.01 0.00 0.00 177.57 176.64 1iyr n ALA 54 N -2.37 0.54 -2.21 3.17 0.00 0.09 0.11 120.51 119.84 1iyr n ALA 54 Ca -0.08 0.10 0.02 0.00 0.00 0.00 0.00 53.44 53.48 1iyr n ALA 54 Cb 0.26 -0.68 0.08 0.00 0.00 0.00 0.00 19.45 19.11 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 -1.99 1.97 -2.98 0.00 4.32 0.28 -2.75 117.00 115.85 1iyr n LEU 55 Ca -0.01 -2.99 -0.12 0.00 -0.02 0.00 0.00 56.01 52.87 1iyr n LEU 55 Cb 0.37 -0.14 -0.12 0.00 -1.62 0.00 0.00 43.42 41.91 1iyr n LEU 55 CO 0.05 1.00 1.26 -0.46 -1.22 0.00 0.00 177.39 178.03 1iyr n ASN 56 N -0.27 -1.08 -0.69 -1.43 0.23 0.40 -4.71 115.26 107.72 1iyr n ASN 56 Ca 0.14 -0.49 0.00 0.00 -0.53 0.00 0.00 54.58 53.69 1iyr n ASN 56 Cb 0.94 -0.37 0.00 0.00 -2.08 0.00 0.00 39.78 38.27 1iyr n ASN 56 CO 0.00 0.00 0.00 0.79 -0.93 0.00 0.00 177.26 177.12 1iyr n TRP 57 N 3.59 -0.08 0.00 -2.53 8.01 -1.25 -5.05 117.44 120.13 1iyr n TRP 57 Ca 0.37 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.56 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 -3.47 -1.01 0.00 0.00 177.69 173.21 1iyr n ASP 58 N -1.92 0.00 -0.09 -0.99 -0.08 -1.26 -4.88 116.55 107.33 1iyr n ASP 58 Ca 0.00 0.00 -0.12 0.00 -1.51 0.00 0.00 54.79 53.16 1iyr n ASP 58 Cb 0.00 0.00 -0.04 0.00 2.34 0.00 0.00 41.12 43.42 1iyr n ASP 58 CO 0.00 0.00 0.00 -0.38 0.12 0.00 0.00 177.20 176.94 1iyr n ILE 59 N -0.52 1.45 0.25 5.18 2.08 -1.26 -3.99 119.36 122.56 1iyr n ILE 59 Ca 0.00 0.05 0.13 0.00 0.56 0.00 0.00 62.75 63.49 1iyr n ILE 59 Cb 0.00 -2.18 0.58 0.00 -0.75 0.00 0.00 39.64 37.30 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 -0.90 0.00 -0.02 0.38 6.56 -1.98 -1.08 116.57 119.54 1iyr h LYS 60 Ca -0.14 0.00 -0.15 0.00 -1.06 0.00 0.00 60.65 59.29 1iyr h LYS 60 Cb 1.05 0.00 0.01 0.00 -0.57 0.00 0.00 32.23 32.72 1iyr h LYS 60 CO -0.09 0.15 -0.59 -0.22 -2.06 0.00 0.00 179.45 176.64 1iyr h LYS 61 N 0.00 0.44 -0.10 3.15 3.11 -1.96 -1.33 116.57 119.88 1iyr h LYS 61 Ca -0.00 -0.44 -0.16 0.00 -2.81 0.00 0.00 60.65 57.24 1iyr h LYS 61 Cb 0.60 0.12 -0.01 0.00 -1.00 0.00 0.00 32.23 31.94 1iyr h LYS 61 CO 0.02 1.10 -0.63 0.00 -2.81 0.00 0.00 179.45 177.13 1iyr h THR 62 N -0.05 1.37 -0.18 1.00 1.03 -1.63 -2.60 112.91 111.84 1iyr h THR 62 Ca -0.07 -1.98 -0.18 0.00 -0.01 0.00 0.00 66.41 64.17 1iyr h THR 62 Cb 1.29 1.98 -0.00 0.00 -1.07 0.00 0.00 68.15 70.34 1iyr h THR 62 CO 0.12 0.60 -0.61 -0.33 -0.01 0.00 0.00 175.52 175.28 1iyr h GLU 63 N 0.26 0.62 -0.47 0.00 5.08 -1.26 -2.59 114.58 116.23 1iyr h GLU 63 Ca -0.01 -0.42 -0.04 0.00 -1.00 0.00 0.00 59.36 57.89 1iyr h GLU 63 Cb 1.16 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 30.45 1iyr h GLU 63 CO 0.10 1.04 0.13 1.15 -1.00 0.00 0.00 179.01 180.43 1iyr h THR 64 N 0.46 1.20 -0.34 1.13 2.02 -1.13 0.63 112.91 116.87 1iyr h THR 64 Ca -0.00 -0.69 -0.13 0.00 0.77 0.00 0.00 66.41 66.36 1iyr h THR 64 Cb 1.18 0.70 -0.01 0.00 -1.74 0.00 0.00 68.15 68.28 1iyr h THR 64 CO 0.12 0.26 -0.32 0.58 0.37 0.00 0.00 175.52 176.53 1iyr h VAL 65 N 0.68 1.28 -0.24 3.16 2.07 -1.36 -2.16 116.25 119.68 1iyr h VAL 65 Ca 0.16 -1.46 -0.18 0.00 0.82 0.00 0.00 66.70 66.03 1iyr h VAL 65 Cb 0.23 1.36 -0.00 0.00 -1.52 0.00 0.00 31.29 31.35 1iyr h VAL 65 CO -0.01 0.48 -0.58 -0.61 0.02 0.00 0.00 177.57 176.88 1iyr h GLN 66 N 0.63 0.76 -0.73 1.57 5.75 -0.95 -2.59 115.11 119.55 1iyr h GLN 66 Ca 0.07 -0.50 0.03 0.00 -0.15 0.00 0.00 58.65 58.10 1iyr h GLN 66 Cb 0.85 0.07 -0.04 0.00 1.07 0.00 0.00 27.48 29.42 1iyr h GLN 66 CO 0.07 1.12 0.48 0.93 -2.65 0.00 0.00 178.83 178.79 1iyr h GLU 67 N 0.58 0.88 -0.27 1.69 5.08 0.45 -1.02 114.58 121.97 1iyr h GLU 67 Ca 0.00 -0.05 -0.16 0.00 -1.00 0.00 0.00 59.36 58.15 1iyr h GLU 67 Cb 1.17 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 30.21 1iyr h GLU 67 CO 0.12 0.58 -0.47 0.00 -1.00 0.00 0.00 179.01 178.25 1iyr h ALA 68 N 1.57 0.67 -0.77 3.43 0.00 -1.29 -2.78 119.26 120.10 1iyr h ALA 68 Ca 0.29 -0.48 0.11 0.00 0.00 0.00 0.00 54.91 54.83 1iyr h ALA 68 Cb 0.02 -0.10 -0.08 0.00 0.00 0.00 0.00 17.79 17.63 1iyr h ALA 68 CO -0.08 0.67 0.38 0.00 0.00 0.00 0.00 179.25 180.23 1iyr h GLU 70 N 0.61 -0.19 -0.94 0.00 5.08 -1.43 -2.26 114.58 115.45 1iyr h GLU 70 Ca 0.39 0.01 0.19 0.00 -1.00 0.00 0.00 59.36 58.96 1iyr h GLU 70 Cb 0.48 0.04 -0.08 0.00 0.50 0.00 0.00 28.75 29.69 1iyr h GLU 70 CO -0.31 0.26 0.60 0.00 -1.00 0.00 0.00 179.01 178.56 1iyr h ARG 71 N -0.85 0.53 -0.04 2.33 2.47 -1.33 0.48 114.38 117.98 1iyr h ARG 71 Ca -0.02 -0.03 -0.24 0.00 -1.26 0.00 0.00 59.98 58.43 1iyr h ARG 71 Cb 0.53 -0.12 0.01 0.00 -1.65 0.00 0.00 29.97 28.74 1iyr h ARG 71 CO 0.03 0.35 -0.92 0.93 0.56 0.00 0.00 179.97 180.92 1iyr h GLU 72 N 0.55 0.59 -0.39 0.04 3.07 -1.16 -2.64 114.58 114.64 1iyr h GLU 72 Ca 0.50 -0.58 0.08 0.00 -0.50 0.00 0.00 59.36 58.86 1iyr h GLU 72 Cb 1.05 0.15 -0.08 0.00 -0.84 0.00 0.00 28.75 29.03 1iyr h GLU 72 CO -0.24 1.20 -0.17 1.25 -1.40 0.00 0.00 179.01 179.65 1iyr h LEU 73 N 0.36 -0.59 -0.41 1.33 6.46 -0.28 0.23 115.31 122.41 1iyr h LEU 73 Ca -0.09 0.14 -0.18 0.00 -0.12 0.00 0.00 57.88 57.63 1iyr h LEU 73 Cb 1.56 0.33 -0.01 0.00 -0.73 0.00 0.00 40.66 41.81 1iyr h LEU 73 CO 0.17 -0.21 -0.73 0.00 -0.62 0.00 0.00 178.44 177.06 1iyr h ALA 74 N 1.20 0.61 -0.29 1.25 0.00 -1.55 -2.14 119.26 118.35 1iyr h ALA 74 Ca 0.19 -0.61 -0.02 0.00 0.00 0.00 0.00 54.91 54.48 1iyr h ALA 74 Cb 0.39 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1iyr h ALA 74 CO -0.46 0.77 0.11 1.25 0.00 0.00 0.00 179.25 180.92 1iyr h LEU 75 N 0.26 0.40 -0.67 0.00 7.12 -0.97 0.44 115.31 121.88 1iyr h LEU 75 Ca -0.03 -0.17 -0.14 0.00 0.13 0.00 0.00 57.88 57.67 1iyr h LEU 75 Cb 1.30 -0.10 -0.01 0.00 -0.53 0.00 0.00 40.66 41.32 1iyr h LEU 75 CO 0.12 0.46 -0.63 -0.09 -0.13 0.00 0.00 178.44 178.18 1iyr h ARG 76 N 0.31 0.14 0.03 1.25 9.65 -0.61 -0.64 114.38 124.51 1iyr h ARG 76 Ca 0.09 -0.10 -0.07 0.00 -1.10 0.00 0.00 59.98 58.80 1iyr h ARG 76 Cb 0.19 0.02 0.01 0.00 -1.39 0.00 0.00 29.97 28.79 1iyr h ARG 76 CO -0.01 0.72 -0.29 1.25 2.80 0.00 0.00 179.97 184.44 1iyr h LEU 77 N 0.10 0.21 -0.22 3.80 5.85 -1.22 -3.29 115.31 120.54 1iyr h LEU 77 Ca -0.01 -0.86 0.00 0.00 0.84 0.00 0.00 57.88 57.85 1iyr h LEU 77 Cb 1.13 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.09 1iyr h LEU 77 CO 0.09 1.05 0.00 1.67 -0.34 0.00 0.00 178.44 180.92 1iyr n GLN 78 N -4.46 0.18 0.04 1.25 7.27 0.15 -3.11 117.38 118.71 1iyr n GLN 78 Ca -0.11 0.25 -0.02 0.00 0.07 0.00 0.00 57.00 57.20 1iyr n GLN 78 Cb 0.56 -1.76 -0.01 0.00 2.41 0.00 0.00 30.24 31.44 1iyr n GLN 78 CO 0.00 0.00 0.00 0.37 0.07 0.00 0.00 177.06 177.50 1iyr h GLN 79 N 0.00 -0.12 0.00 3.69 4.15 -1.18 -3.44 115.11 118.22 1iyr h GLN 79 Ca 0.00 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.43 1iyr h GLN 79 Cb 0.54 0.03 0.00 0.00 0.21 0.00 0.00 27.48 28.26 1iyr h GLN 79 CO 0.00 -0.08 -0.69 -2.37 -1.93 0.00 0.00 178.83 173.76 1iyr n THR 80 N -2.53 0.00 -1.67 2.39 5.66 -1.26 -5.04 114.28 111.83 1iyr n THR 80 Ca -0.02 0.00 -0.48 0.00 -3.05 0.00 0.00 64.05 60.50 1iyr n THR 80 Cb 0.05 -0.59 -0.05 0.00 -1.55 0.00 0.00 70.33 68.20 1iyr n THR 80 CO 0.00 0.00 0.00 1.67 -3.05 0.00 0.00 175.07 173.69 1iyr n GLN 81 N -2.38 2.13 -4.65 1.09 -0.06 -1.18 -4.97 117.38 107.36 1iyr n GLN 81 Ca 0.00 0.77 -0.32 0.00 -2.00 0.00 0.00 57.00 55.45 1iyr n GLN 81 Cb 0.35 -2.65 -0.12 0.00 -4.06 0.00 0.00 30.24 23.76 1iyr n GLN 81 CO 0.00 0.00 0.00 -1.12 -0.20 0.00 0.00 177.06 175.74 1iyr s SER 82 N 4.33 4.19 -0.58 1.69 0.01 -1.26 -4.38 113.70 117.70 1iyr s SER 82 Ca 0.94 -0.25 -0.27 0.00 1.31 0.00 0.00 55.95 57.68 1iyr s SER 82 Cb -0.69 -0.86 0.00 0.00 0.21 0.00 0.00 66.02 64.68 1iyr s SER 82 CO 0.51 0.29 1.54 -0.76 0.41 0.00 0.00 173.24 175.24 1iyr s LEU 83 N -1.22 3.35 -0.25 2.44 1.02 -1.26 -4.81 118.68 117.96 1iyr s LEU 83 Ca 0.15 0.27 -0.09 0.00 0.02 0.00 0.00 54.13 54.48 1iyr s LEU 83 Cb -0.11 -2.88 -0.16 0.00 0.02 0.00 0.00 46.19 43.06 1iyr s LEU 83 CO 0.05 -1.90 -0.16 1.41 0.02 0.00 0.00 176.35 175.77 1iyr n HIS 84 N 10.43 0.28 -1.68 0.29 8.25 -1.26 -4.97 115.22 126.56 1iyr n HIS 84 Ca 0.14 0.09 -0.37 0.00 -0.26 0.00 0.00 57.72 57.32 1iyr n HIS 84 Cb 0.50 -1.03 0.07 0.00 1.12 0.00 0.00 29.99 30.65 1iyr n HIS 84 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 1iyr s SER 85 N -7.04 4.50 -0.50 0.41 0.01 -1.26 -4.97 113.70 104.85 1iyr s SER 85 Ca -0.34 2.60 -0.14 0.00 1.31 0.00 0.00 55.95 59.37 1iyr s SER 85 Cb 0.11 -2.62 0.11 0.00 0.21 0.00 0.00 66.02 63.83 1iyr s SER 85 CO 0.57 -2.08 0.42 -0.76 0.41 0.00 0.00 173.24 171.80 1iyr s LEU 86 N -4.51 5.84 0.00 2.44 1.43 -1.26 -5.25 118.68 117.37 1iyr s LEU 86 Ca 0.82 -1.64 0.00 0.00 -1.03 0.00 0.00 54.13 52.27 1iyr s LEU 86 Cb -0.37 -2.15 0.00 0.00 0.03 0.00 0.00 46.19 43.71 1iyr s LEU 86 CO 0.41 -0.74 0.00 -2.11 0.23 0.00 0.00 176.35 174.14