#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k2h s SER 2 N 0.00 5.50 0.24 1.61 1.04 -1.26 -4.78 113.70 116.05 1k2h s SER 2 Ca 0.00 1.06 -0.07 0.00 0.48 0.00 0.00 55.95 57.42 1k2h s SER 2 Cb 0.00 -1.90 0.24 0.00 0.10 0.00 0.00 66.02 64.46 1k2h s SER 2 CO 0.00 -1.27 1.91 -0.33 0.98 0.00 0.00 173.24 174.53 1k2h h GLU 3 N -0.55 1.29 0.02 4.02 3.07 -2.06 0.19 114.58 120.55 1k2h h GLU 3 Ca -0.45 -0.09 -0.00 0.00 -0.50 0.00 0.00 59.36 58.32 1k2h h GLU 3 Cb 1.25 -0.28 0.00 0.00 -0.84 0.00 0.00 28.75 28.88 1k2h h GLU 3 CO 0.63 0.87 -0.01 -0.07 -1.40 0.00 0.00 179.01 179.03 1k2h h LEU 4 N 1.32 -0.02 -1.02 1.33 -0.00 -2.01 -3.12 115.31 111.80 1k2h h LEU 4 Ca 0.35 -0.75 0.01 0.00 -0.00 0.00 0.00 57.88 57.50 1k2h h LEU 4 Cb -0.12 0.00 -0.05 0.00 -0.00 0.00 0.00 40.66 40.49 1k2h h LEU 4 CO -0.07 0.82 0.66 -0.08 -0.00 0.00 0.00 178.44 179.77 1k2h h GLU 5 N -0.94 1.32 -1.01 1.13 4.57 -1.93 -2.03 114.58 115.69 1k2h h GLU 5 Ca -0.00 -0.08 0.01 0.00 -1.18 0.00 0.00 59.36 58.11 1k2h h GLU 5 Cb 0.76 -0.30 -0.05 0.00 -0.16 0.00 0.00 28.75 29.01 1k2h h GLU 5 CO 0.00 0.87 0.67 1.15 -1.18 0.00 0.00 179.01 180.52 1k2h h THR 6 N 1.36 1.26 -0.94 0.32 2.02 -0.73 -2.18 112.91 114.02 1k2h h THR 6 Ca 0.37 -0.47 0.01 0.00 0.77 0.00 0.00 66.41 67.09 1k2h h THR 6 Cb -0.16 -0.23 -0.05 0.00 -1.74 0.00 0.00 68.15 65.98 1k2h h THR 6 CO -0.08 0.25 0.62 0.00 0.37 0.00 0.00 175.52 176.68 1k2h h ALA 7 N 1.37 1.19 -0.92 6.16 0.00 -1.30 -2.11 119.26 123.66 1k2h h ALA 7 Ca 0.37 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.20 1k2h h ALA 7 Cb -0.16 -0.38 -0.04 0.00 0.00 0.00 0.00 17.79 17.21 1k2h h ALA 7 CO -0.08 0.59 0.53 0.52 0.00 0.00 0.00 179.25 180.81 1k2h h MET 8 N 1.27 1.25 -0.95 0.00 2.07 -1.24 -2.17 114.93 115.16 1k2h h MET 8 Ca 0.35 -0.13 0.01 0.00 -2.07 0.00 0.00 59.70 57.86 1k2h h MET 8 Cb -0.14 -0.26 -0.05 0.00 -1.87 0.00 0.00 31.60 29.28 1k2h h MET 8 CO -0.08 0.89 0.63 0.93 1.07 0.00 0.00 176.91 180.36 1k2h h GLU 9 N 1.27 1.25 -0.77 1.72 5.08 -1.14 -1.56 114.58 120.43 1k2h h GLU 9 Ca 0.33 -0.08 0.01 0.00 -1.00 0.00 0.00 59.36 58.62 1k2h h GLU 9 Cb -0.03 -0.28 -0.04 0.00 0.50 0.00 0.00 28.75 28.90 1k2h h GLU 9 CO -0.06 0.83 0.51 1.15 -1.00 0.00 0.00 179.01 180.44 1k2h h THR 10 N 1.29 1.18 -0.71 1.13 2.02 -1.11 -1.25 112.91 115.46 1k2h h THR 10 Ca 0.35 -0.35 0.05 0.00 0.77 0.00 0.00 66.41 67.22 1k2h h THR 10 Cb -0.15 0.07 -0.04 0.00 -1.74 0.00 0.00 68.15 66.29 1k2h h THR 10 CO -0.08 0.19 0.47 -0.07 0.37 0.00 0.00 175.52 176.40 1k2h h LEU 11 N 1.03 0.69 -1.00 2.58 3.38 -1.11 -0.73 115.31 120.16 1k2h h LEU 11 Ca 0.29 -0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.26 1k2h h LEU 11 Cb -0.09 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 40.45 1k2h h LEU 11 CO -0.07 0.47 0.66 0.40 0.09 0.00 0.00 178.44 179.99 1k2h h ILE 12 N 0.80 1.26 0.00 1.22 1.08 -1.16 -1.70 117.51 119.01 1k2h h ILE 12 Ca 0.29 -0.47 -0.09 0.00 -0.39 0.00 0.00 64.86 64.20 1k2h h ILE 12 Cb 0.15 -0.21 -0.01 0.00 -3.07 0.00 0.00 36.82 33.67 1k2h h ILE 12 CO -0.09 0.25 -0.43 -1.13 -0.69 0.00 0.00 178.15 176.06 1k2h h ASN 13 N 1.36 0.00 -0.01 1.72 -1.24 -1.12 -3.10 115.58 113.19 1k2h h ASN 13 Ca 0.37 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.38 1k2h h ASN 13 Cb -0.15 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 38.90 1k2h h ASN 13 CO -0.08 0.43 0.00 0.58 -1.29 0.00 0.00 177.43 177.08 1k2h h VAL 14 N 0.00 1.00 0.00 2.57 2.07 -0.68 -2.26 116.25 118.95 1k2h h VAL 14 Ca -0.00 -0.01 -0.06 0.00 0.82 0.00 0.00 66.70 67.45 1k2h h VAL 14 Cb 0.84 0.99 -0.01 0.00 -1.52 0.00 0.00 31.29 31.59 1k2h h VAL 14 CO 0.06 0.00 -0.30 -0.26 0.02 0.00 0.00 177.57 177.09 1k2h h PHE 15 N 0.01 0.00 -0.93 1.57 0.04 -1.55 -2.18 116.94 113.89 1k2h h PHE 15 Ca 0.00 0.00 0.01 0.00 2.80 0.00 0.00 57.97 60.78 1k2h h PHE 15 Cb -0.00 0.00 -0.05 0.00 2.20 0.00 0.00 35.95 38.10 1k2h h PHE 15 CO -0.08 0.30 0.61 1.25 -0.60 0.00 0.00 178.31 179.79 1k2h h HIS 16 N 0.00 1.17 0.45 -0.55 2.76 -1.34 1.64 115.15 119.28 1k2h h HIS 16 Ca -0.00 0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 58.17 1k2h h HIS 16 Cb 0.64 -0.40 0.00 0.00 1.55 0.00 0.00 27.41 29.21 1k2h h HIS 16 CO 0.00 0.74 -0.21 0.00 -1.30 0.00 0.00 177.93 177.16 1k2h h ALA 17 N 1.41 -0.60 -0.03 5.26 0.00 -1.07 -2.40 119.26 121.84 1k2h h ALA 17 Ca 0.34 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1k2h h ALA 17 Cb -0.14 0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1k2h h ALA 17 CO -0.07 -0.61 -0.00 0.72 0.00 0.00 0.00 179.25 179.28 1k2h n HIS 18 N -5.19 0.00 -1.20 0.00 8.25 -1.19 -4.45 115.22 111.44 1k2h n HIS 18 Ca -0.09 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.37 1k2h n HIS 18 Cb 0.28 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.40 1k2h n HIS 18 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1k2h n SER 19 N 1.20 0.08 -0.03 0.41 7.64 0.47 -4.80 113.62 118.60 1k2h n SER 19 Ca 0.12 -1.28 0.01 0.00 1.01 0.00 0.00 58.87 58.73 1k2h n SER 19 Cb 0.53 -0.05 0.04 0.00 -1.01 0.00 0.00 64.21 63.72 1k2h n SER 19 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1k2h n GLY 20 N -0.03 -0.93 0.00 0.23 0.00 0.34 -3.69 105.19 101.10 1k2h n GLY 20 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1k2h n GLY 20 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1k2h n LYS 21 N -0.48 0.00 0.00 1.61 4.81 -1.26 -4.71 118.16 118.13 1k2h n LYS 21 Ca 0.01 0.45 0.00 0.00 -0.87 0.00 0.00 58.31 57.90 1k2h n LYS 21 Cb 0.02 -1.54 0.00 0.00 0.02 0.00 0.00 35.03 33.53 1k2h n LYS 21 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 1k2h n GLU 22 N -1.45 0.00 0.00 1.64 2.13 -1.24 -4.76 120.64 116.96 1k2h n GLU 22 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1k2h n GLU 22 Cb 0.04 -2.10 0.00 0.00 0.27 0.00 0.00 31.44 29.65 1k2h n GLU 22 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1k2h n GLY 23 N -1.80 -0.65 3.32 8.31 0.00 -1.26 -4.57 105.19 108.54 1k2h n GLY 23 Ca 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.56 1k2h n GLY 23 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1k2h s ASP 24 N -2.87 6.48 0.15 1.61 1.01 -1.26 -4.89 116.67 116.89 1k2h s ASP 24 Ca 0.00 -2.23 -0.10 0.00 0.71 0.00 0.00 52.55 50.92 1k2h s ASP 24 Cb 0.00 -2.21 -0.02 0.00 1.01 0.00 0.00 42.92 41.69 1k2h s ASP 24 CO 0.00 -0.72 1.50 0.11 0.21 0.00 0.00 175.17 176.27 1k2h h LYS 25 N 8.34 0.96 -6.84 8.23 1.57 -1.81 -3.44 116.57 123.60 1k2h h LYS 25 Ca -0.10 -0.48 -0.48 0.00 -1.87 0.00 0.00 60.65 57.73 1k2h h LYS 25 Cb 1.07 0.00 0.22 0.00 0.08 0.00 0.00 32.23 33.61 1k2h h LYS 25 CO 0.90 1.14 -0.63 2.48 -0.57 0.00 0.00 179.45 182.77 1k2h n TYR 26 N -4.07 -1.21 0.00 -1.35 4.11 -1.26 -4.85 117.16 108.53 1k2h n TYR 26 Ca -0.01 0.14 0.00 0.00 -0.00 0.00 0.00 57.90 58.03 1k2h n TYR 26 Cb 0.52 -1.69 0.00 0.00 -0.00 0.00 0.00 39.34 38.17 1k2h n TYR 26 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.86 178.03 1k2h n LYS 27 N -2.62 0.00 -3.18 -3.48 3.00 -0.83 -4.85 118.16 106.19 1k2h n LYS 27 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.35 1k2h n LYS 27 Cb 0.57 -0.41 0.00 0.00 0.00 0.00 0.00 35.03 35.19 1k2h n LYS 27 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.40 178.87 1k2h n LEU 28 N 0.00 0.00 -4.53 3.14 -0.00 -1.11 -4.76 117.00 109.74 1k2h n LEU 28 Ca 0.00 0.00 -0.42 0.00 -0.00 0.00 0.00 56.01 55.59 1k2h n LEU 28 Cb 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 43.42 43.43 1k2h n LEU 28 CO 0.00 0.00 0.33 -0.24 -0.00 0.00 0.00 177.39 177.48 1k2h n SER 29 N 0.54 0.17 -0.24 1.45 2.88 -1.26 -2.14 113.62 115.01 1k2h n SER 29 Ca 0.00 0.98 -0.06 0.00 -1.33 0.00 0.00 58.87 58.45 1k2h n SER 29 Cb 0.00 -1.23 0.05 0.00 -0.75 0.00 0.00 64.21 62.28 1k2h n SER 29 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 1k2h h LYS 30 N 1.16 0.98 -0.65 -1.46 1.57 -1.59 -1.07 116.57 115.51 1k2h h LYS 30 Ca -0.42 -0.15 -0.03 0.00 -1.87 0.00 0.00 60.65 58.18 1k2h h LYS 30 Cb 1.37 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 33.48 1k2h h LYS 30 CO 0.54 0.78 0.28 0.87 -0.57 0.00 0.00 179.45 181.35 1k2h h LYS 31 N 0.94 0.96 -0.05 3.15 1.79 -1.78 -2.29 116.57 119.30 1k2h h LYS 31 Ca 0.23 -0.16 -0.12 0.00 -2.18 0.00 0.00 60.65 58.42 1k2h h LYS 31 Cb 0.13 -0.16 -0.01 0.00 -1.58 0.00 0.00 32.23 30.60 1k2h h LYS 31 CO -0.03 0.79 -0.53 1.49 -1.08 0.00 0.00 179.45 180.09 1k2h h GLU 32 N 0.91 0.12 -0.63 3.15 4.81 -1.84 -2.97 114.58 118.12 1k2h h GLU 32 Ca 0.22 -0.07 0.01 0.00 -0.13 0.00 0.00 59.36 59.38 1k2h h GLU 32 Cb 0.17 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.53 1k2h h GLU 32 CO -0.02 0.62 0.42 1.25 -0.73 0.00 0.00 179.01 180.55 1k2h h LEU 33 N 0.10 0.73 0.21 1.64 7.12 -0.64 -1.97 115.31 122.50 1k2h h LEU 33 Ca 0.00 -0.02 -0.01 0.00 0.13 0.00 0.00 57.88 57.98 1k2h h LEU 33 Cb 0.96 -0.18 0.00 0.00 -0.53 0.00 0.00 40.66 40.91 1k2h h LEU 33 CO 0.08 0.53 -0.10 0.50 -0.13 0.00 0.00 178.44 179.31 1k2h h LYS 34 N 0.86 -0.28 -0.91 1.25 3.11 -1.31 -2.52 116.57 116.78 1k2h h LYS 34 Ca 0.23 0.02 0.01 0.00 -2.81 0.00 0.00 60.65 58.10 1k2h h LYS 34 Cb -0.10 0.06 -0.04 0.00 -1.00 0.00 0.00 32.23 31.15 1k2h h LYS 34 CO -0.05 0.03 0.59 -0.44 -2.81 0.00 0.00 179.45 176.78 1k2h h ASP 35 N -0.60 1.04 0.54 4.20 3.32 -1.51 -1.22 116.42 122.20 1k2h h ASP 35 Ca -0.03 -0.03 -0.03 0.00 0.02 0.00 0.00 57.03 56.96 1k2h h ASP 35 Cb 0.44 -0.26 0.01 0.00 0.22 0.00 0.00 39.33 39.73 1k2h h ASP 35 CO 0.05 0.76 -0.26 0.25 -1.72 0.00 0.00 179.24 178.32 1k2h h LEU 36 N 1.23 -0.62 -0.19 1.55 5.85 -1.32 -3.05 115.31 118.76 1k2h h LEU 36 Ca 0.33 -0.04 -0.22 0.00 0.84 0.00 0.00 57.88 58.79 1k2h h LEU 36 Cb -0.13 0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.06 1k2h h LEU 36 CO -0.07 -0.32 -0.92 -0.07 -0.34 0.00 0.00 178.44 176.72 1k2h h LEU 37 N -0.91 0.54 -1.72 2.25 3.38 -1.42 -3.06 115.31 114.38 1k2h h LEU 37 Ca -0.07 -0.42 0.18 0.00 0.09 0.00 0.00 57.88 57.65 1k2h h LEU 37 Cb 0.62 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 41.16 1k2h h LEU 37 CO 0.12 1.22 0.52 -0.61 0.09 0.00 0.00 178.44 179.78 1k2h h GLN 38 N 0.24 0.25 -0.13 1.13 4.15 -1.30 0.80 115.11 120.25 1k2h h GLN 38 Ca -0.07 -0.02 -0.20 0.00 0.77 0.00 0.00 58.65 59.13 1k2h h GLN 38 Cb 1.55 -0.06 0.01 0.00 0.21 0.00 0.00 27.48 29.19 1k2h h GLN 38 CO 0.16 0.17 -0.71 1.15 -1.93 0.00 0.00 178.83 177.67 1k2h h THR 39 N 0.26 1.31 -0.32 2.39 2.02 -1.44 -2.89 112.91 114.24 1k2h h THR 39 Ca 0.38 -1.95 -0.16 0.00 0.77 0.00 0.00 66.41 65.46 1k2h h THR 39 Cb 1.10 2.08 -0.01 0.00 -1.74 0.00 0.00 68.15 69.59 1k2h h THR 39 CO -0.09 0.61 -0.42 -0.08 0.37 0.00 0.00 175.52 175.91 1k2h h GLU 40 N 0.39 0.81 -1.26 6.66 4.57 -0.69 -2.73 114.58 122.32 1k2h h GLU 40 Ca -0.05 -0.43 -0.22 0.00 -1.18 0.00 0.00 59.36 57.48 1k2h h GLU 40 Cb 1.35 0.02 -0.11 0.00 -0.16 0.00 0.00 28.75 29.85 1k2h h GLU 40 CO 0.15 1.07 0.28 1.28 -1.18 0.00 0.00 179.01 180.60 1k2h n LEU 41 N -4.04 5.14 -0.37 1.64 4.77 0.25 -4.43 117.00 119.96 1k2h n LEU 41 Ca -0.02 -2.62 -0.02 0.00 -0.03 0.00 0.00 56.01 53.32 1k2h n LEU 41 Cb 0.55 -0.81 0.11 0.00 -2.33 0.00 0.00 43.42 40.94 1k2h n LEU 41 CO 0.48 0.90 1.29 -1.28 -1.33 0.00 0.00 177.39 177.44 1k2h h SER 42 N 0.78 1.15 -0.17 -1.43 0.87 -1.26 -1.02 113.55 112.48 1k2h h SER 42 Ca 0.23 -0.04 0.04 0.00 -1.23 0.00 0.00 61.79 60.79 1k2h h SER 42 Cb 1.38 -0.29 -0.01 0.00 -0.44 0.00 0.00 62.40 63.04 1k2h h SER 42 CO 0.48 0.85 0.12 -1.28 -0.53 0.00 0.00 176.83 176.47 1k2h h SER 43 N 1.36 0.04 0.05 6.23 0.87 -1.87 0.38 113.55 120.61 1k2h h SER 43 Ca 0.36 -0.00 -0.13 0.00 -1.23 0.00 0.00 61.79 60.79 1k2h h SER 43 Cb -0.14 -0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 61.80 1k2h h SER 43 CO -0.08 0.02 -0.43 -0.26 -0.53 0.00 0.00 176.83 175.55 1k2h h PHE 44 N 0.04 0.56 0.00 2.24 0.04 -1.52 0.83 116.94 119.13 1k2h h PHE 44 Ca 0.08 -0.17 0.00 0.00 2.80 0.00 0.00 57.97 60.68 1k2h h PHE 44 Cb 0.26 -0.12 0.00 0.00 2.20 0.00 0.00 35.95 38.29 1k2h h PHE 44 CO -0.00 0.83 0.00 1.28 -0.60 0.00 0.00 178.31 179.82 1k2h n LEU 45 N -4.01 0.00 -0.27 1.54 4.32 0.13 -2.63 117.00 116.08 1k2h n LEU 45 Ca -0.02 0.07 -0.05 0.00 -0.02 0.00 0.00 56.01 56.00 1k2h n LEU 45 Cb 0.52 -0.07 0.06 0.00 -1.62 0.00 0.00 43.42 42.31 1k2h n LEU 45 CO 0.44 -0.05 1.19 -0.78 -1.22 0.00 0.00 177.39 176.97 1k2h h ASP 46 N 0.00 0.86 -1.71 -1.43 1.82 -0.43 -3.38 116.42 112.14 1k2h h ASP 46 Ca 0.00 -0.02 -0.32 0.00 -0.39 0.00 0.00 57.03 56.30 1k2h h ASP 46 Cb 0.03 -0.21 -0.28 0.00 0.68 0.00 0.00 39.33 39.55 1k2h h ASP 46 CO 0.00 0.62 -0.66 0.68 -1.61 0.00 0.00 179.24 178.27 1k2h s VAL 47 N -6.14 -0.45 -0.14 2.25 -7.23 -1.08 -5.11 120.40 102.51 1k2h s VAL 47 Ca -0.13 -1.06 -0.29 0.00 -1.81 0.00 0.00 61.98 58.69 1k2h s VAL 47 Cb 0.15 -0.54 -0.04 0.00 0.56 0.00 0.00 36.38 36.51 1k2h s VAL 47 CO 0.78 -0.49 1.60 -1.10 -0.31 0.00 0.00 175.10 175.57 1k2h s GLN 48 N 1.22 4.02 -0.00 4.82 -0.21 -1.26 -4.63 119.66 123.63 1k2h s GLN 48 Ca 0.21 1.92 -0.00 0.00 0.02 0.00 0.00 55.36 57.50 1k2h s GLN 48 Cb -0.09 -3.98 -0.00 0.00 1.00 0.00 0.00 33.01 29.94 1k2h s GLN 48 CO -0.06 -1.02 -0.00 0.87 -2.12 0.00 0.00 175.29 172.96 1k2h h LYS 49 N 9.92 0.00 -3.96 2.91 1.79 0.62 -3.41 116.57 124.44 1k2h h LYS 49 Ca -0.35 0.00 -0.78 0.00 -2.18 0.00 0.00 60.65 57.34 1k2h h LYS 49 Cb 1.16 0.00 -0.25 0.00 -1.58 0.00 0.00 32.23 31.56 1k2h h LYS 49 CO 0.97 0.00 0.30 -0.51 -1.08 0.00 0.00 179.45 179.14 1k2h s ASP 50 N -3.03 6.87 0.55 0.86 1.01 -0.62 -4.83 116.67 117.48 1k2h s ASP 50 Ca -0.00 -2.80 0.35 0.00 0.71 0.00 0.00 52.55 50.81 1k2h s ASP 50 Cb 0.00 -2.24 1.54 0.00 1.01 0.00 0.00 42.92 43.23 1k2h s ASP 50 CO 0.00 -0.58 2.04 0.00 0.21 0.00 0.00 175.17 176.83 1k2h h ALA 51 N 7.67 1.00 -0.47 5.23 0.00 -1.80 -2.35 119.26 128.54 1k2h h ALA 51 Ca 0.14 0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.91 1k2h h ALA 51 Cb 1.00 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 1k2h h ALA 51 CO 0.86 0.00 -0.23 -0.44 0.00 0.00 0.00 179.25 179.44 1k2h h ASP 52 N 0.00 1.01 -0.05 0.00 3.32 -1.95 -1.01 116.42 117.74 1k2h h ASP 52 Ca 0.00 -0.39 0.00 0.00 0.02 0.00 0.00 57.03 56.66 1k2h h ASP 52 Cb 0.40 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 39.67 1k2h h ASP 52 CO 0.00 1.18 0.03 0.00 -1.72 0.00 0.00 179.24 178.73 1k2h h ALA 53 N 0.88 0.06 -0.59 3.45 0.00 -1.81 -0.96 119.26 120.30 1k2h h ALA 53 Ca 0.11 0.00 0.02 0.00 0.00 0.00 0.00 54.91 55.04 1k2h h ALA 53 Cb 0.81 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.55 1k2h h ALA 53 CO 0.07 -0.45 0.39 0.28 0.00 0.00 0.00 179.25 179.54 1k2h h VAL 54 N 0.06 1.11 -0.95 0.00 2.07 -1.56 -2.23 116.25 114.74 1k2h h VAL 54 Ca 0.02 -0.25 -0.01 0.00 0.82 0.00 0.00 66.70 67.28 1k2h h VAL 54 Cb -0.00 0.31 -0.05 0.00 -1.52 0.00 0.00 31.29 30.03 1k2h h VAL 54 CO -0.01 0.13 0.57 -0.78 0.02 0.00 0.00 177.57 177.50 1k2h h ASP 55 N 0.73 1.14 -0.52 0.57 1.82 0.14 -2.44 116.42 117.88 1k2h h ASP 55 Ca 0.23 -0.07 -0.13 0.00 -0.39 0.00 0.00 57.03 56.67 1k2h h ASP 55 Cb 0.01 -0.29 -0.02 0.00 0.68 0.00 0.00 39.33 39.72 1k2h h ASP 55 CO -0.06 0.88 -0.17 0.11 -1.61 0.00 0.00 179.24 178.39 1k2h h LYS 56 N 1.31 1.02 -0.86 0.28 6.56 -0.73 -2.68 116.57 121.47 1k2h h LYS 56 Ca 0.34 -0.41 0.01 0.00 -1.06 0.00 0.00 60.65 59.53 1k2h h LYS 56 Cb -0.05 -0.05 -0.04 0.00 -0.57 0.00 0.00 32.23 31.51 1k2h h LYS 56 CO -0.06 1.10 0.57 0.82 -2.06 0.00 0.00 179.45 179.81 1k2h h ILE 57 N 0.89 1.22 0.00 1.86 5.03 -1.36 0.89 117.51 126.05 1k2h h ILE 57 Ca 0.13 -0.40 -0.02 0.00 -0.12 0.00 0.00 64.86 64.45 1k2h h ILE 57 Cb 0.75 -0.04 -0.00 0.00 -3.03 0.00 0.00 36.82 34.49 1k2h h ILE 57 CO 0.06 0.21 -0.09 0.24 -0.68 0.00 0.00 178.15 177.89 1k2h h MET 58 N 1.16 0.00 -0.91 2.37 2.86 -1.20 -2.44 114.93 116.76 1k2h h MET 58 Ca 0.32 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.96 1k2h h MET 58 Cb -0.13 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 31.48 1k2h h MET 58 CO -0.07 0.09 0.58 -0.22 1.06 0.00 0.00 176.91 178.35 1k2h h LYS 59 N 0.00 1.21 -0.34 1.72 3.64 -0.49 -0.90 116.57 121.41 1k2h h LYS 59 Ca -0.00 -0.09 -0.17 0.00 -1.27 0.00 0.00 60.65 59.12 1k2h h LYS 59 Cb 0.22 -0.27 -0.00 0.00 -0.41 0.00 0.00 32.23 31.77 1k2h h LYS 59 CO 0.01 0.82 -0.45 0.93 -2.27 0.00 0.00 179.45 178.49 1k2h h GLU 60 N 1.24 0.90 0.00 1.90 3.07 -1.42 -1.23 114.58 119.04 1k2h h GLU 60 Ca 0.33 -0.52 -0.05 0.00 -0.50 0.00 0.00 59.36 58.63 1k2h h GLU 60 Cb -0.11 0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 27.83 1k2h h GLU 60 CO -0.07 1.16 -0.22 -0.07 -1.40 0.00 0.00 179.01 178.41 1k2h h LEU 61 N 0.72 0.00 0.00 1.33 3.38 -1.47 -0.15 115.31 119.12 1k2h h LEU 61 Ca 0.04 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.72 1k2h h LEU 61 Cb 1.05 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.75 1k2h h LEU 61 CO 0.11 0.22 -1.67 0.44 0.09 0.00 0.00 178.44 177.62 1k2h h ASP 62 N 0.00 0.01 1.18 -0.43 3.32 -1.08 0.26 116.42 119.69 1k2h h ASP 62 Ca -0.00 -0.02 -0.13 0.00 0.02 0.00 0.00 57.03 56.89 1k2h h ASP 62 Cb 0.77 -0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.30 1k2h h ASP 62 CO 0.03 1.02 -0.86 1.05 -1.72 0.00 0.00 179.24 178.76 1k2h h GLU 63 N 0.00 0.00 -0.34 3.56 -0.00 -1.13 -3.36 114.58 113.31 1k2h h GLU 63 Ca -0.27 0.00 -0.23 0.00 -0.00 0.00 0.00 59.36 58.86 1k2h h GLU 63 Cb 2.00 0.00 -0.40 0.00 -0.00 0.00 0.00 28.75 30.35 1k2h h GLU 63 CO 0.08 0.46 -1.10 0.09 -0.00 0.00 0.00 179.01 178.55 1k2h n ASN 64 N -3.11 1.49 -0.18 3.06 5.03 -0.08 -4.89 115.26 116.58 1k2h n ASN 64 Ca -0.02 -2.05 0.29 0.00 0.87 0.00 0.00 54.58 53.68 1k2h n ASN 64 Cb 0.78 -0.44 0.73 0.00 -1.02 0.00 0.00 39.78 39.83 1k2h n ASN 64 CO 0.00 0.00 0.00 1.23 -1.83 0.00 0.00 177.26 176.66 1k2h h GLY 65 N 2.24 0.00 1.50 7.41 0.00 -0.58 1.76 103.07 115.40 1k2h h GLY 65 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.18 1k2h h GLY 65 CO 0.17 0.00 0.00 1.34 0.00 0.00 0.00 176.54 178.05 1k2h n ASP 66 N -4.11 0.00 -3.14 0.19 -0.08 -1.26 -3.48 116.55 104.66 1k2h n ASP 66 Ca 0.19 -0.22 0.00 0.00 -1.51 0.00 0.00 54.79 53.25 1k2h n ASP 66 Cb 1.02 -0.25 0.00 0.00 2.34 0.00 0.00 41.12 44.23 1k2h n ASP 66 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1k2h n GLY 67 N 1.13 -1.34 3.15 0.27 0.00 0.60 -4.89 105.19 104.11 1k2h n GLY 67 Ca 0.15 -1.54 -0.08 0.00 0.00 0.00 0.00 46.02 44.55 1k2h n GLY 67 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1k2h s GLU 68 N -0.19 0.72 0.07 1.61 2.02 -1.26 -3.26 118.70 118.42 1k2h s GLU 68 Ca 0.00 -1.09 0.06 0.00 0.02 0.00 0.00 54.97 53.96 1k2h s GLU 68 Cb 0.00 0.28 -0.03 0.00 0.10 0.00 0.00 34.13 34.48 1k2h s GLU 68 CO 0.00 -0.19 -0.16 0.14 0.02 0.00 0.00 175.26 175.07 1k2h s VAL 69 N -3.89 1.27 0.00 2.63 -7.23 -0.91 -4.79 120.40 107.49 1k2h s VAL 69 Ca 0.06 -1.32 0.00 0.00 -1.81 0.00 0.00 61.98 58.91 1k2h s VAL 69 Cb 0.06 -1.19 0.00 0.00 0.56 0.00 0.00 36.38 35.81 1k2h s VAL 69 CO -0.11 -0.15 0.00 -0.67 -0.31 0.00 0.00 175.10 173.87 1k2h n ASP 70 N 1.32 1.91 -0.03 4.85 -0.08 -1.26 -1.97 116.55 121.29 1k2h n ASP 70 Ca -0.20 -0.18 -0.10 0.00 -1.51 0.00 0.00 54.79 52.79 1k2h n ASP 70 Cb 0.54 0.00 -0.04 0.00 2.34 0.00 0.00 41.12 43.96 1k2h n ASP 70 CO 0.00 0.00 0.00 2.19 0.12 0.00 0.00 177.20 179.51 1k2h h PHE 71 N 0.18 0.20 0.00 -0.67 -0.00 -1.94 0.39 116.94 115.10 1k2h h PHE 71 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 57.97 57.88 1k2h h PHE 71 Cb 0.00 -0.07 -0.01 0.00 -0.00 0.00 0.00 35.95 35.87 1k2h h PHE 71 CO 0.00 0.13 -0.46 0.37 -0.00 0.00 0.00 178.31 178.35 1k2h h GLN 72 N 0.21 0.00 0.09 6.09 4.15 -1.98 -1.56 115.11 122.11 1k2h h GLN 72 Ca 0.06 0.00 -0.29 0.00 0.77 0.00 0.00 58.65 59.19 1k2h h GLN 72 Cb -0.02 0.00 0.03 0.00 0.21 0.00 0.00 27.48 27.70 1k2h h GLN 72 CO -0.01 0.46 -1.20 0.93 -1.93 0.00 0.00 178.83 177.08 1k2h h GLU 73 N 0.00 0.64 -0.19 1.69 5.08 -1.82 -2.11 114.58 117.87 1k2h h GLU 73 Ca -0.00 -0.81 -0.13 0.00 -1.00 0.00 0.00 59.36 57.41 1k2h h GLU 73 Cb 0.85 0.26 -0.01 0.00 0.50 0.00 0.00 28.75 30.35 1k2h h GLU 73 CO 0.06 1.36 -0.45 0.35 -1.00 0.00 0.00 179.01 179.33 1k2h h PHE 74 N 0.30 0.57 -0.15 4.33 3.57 -0.15 -2.03 116.94 123.39 1k2h h PHE 74 Ca -0.17 -0.17 -0.21 0.00 3.53 0.00 0.00 57.97 60.94 1k2h h PHE 74 Cb 1.86 -0.12 0.01 0.00 2.79 0.00 0.00 35.95 40.50 1k2h h PHE 74 CO 0.11 0.84 -0.73 0.28 -2.23 0.00 0.00 178.31 176.58 1k2h h VAL 75 N 0.38 1.29 -0.27 1.41 2.07 -1.31 -1.99 116.25 117.83 1k2h h VAL 75 Ca 0.03 -1.94 -0.19 0.00 0.82 0.00 0.00 66.70 65.41 1k2h h VAL 75 Cb 0.94 2.00 0.00 0.00 -1.52 0.00 0.00 31.29 32.72 1k2h h VAL 75 CO 0.08 0.61 -0.58 0.58 0.02 0.00 0.00 177.57 178.29 1k2h h VAL 76 N 0.48 1.27 -0.32 2.57 2.07 -1.36 -1.76 116.25 119.20 1k2h h VAL 76 Ca -0.05 -1.76 -0.17 0.00 0.82 0.00 0.00 66.70 65.54 1k2h h VAL 76 Cb 1.36 1.67 -0.00 0.00 -1.52 0.00 0.00 31.29 32.81 1k2h h VAL 76 CO 0.15 0.57 -0.48 0.25 0.02 0.00 0.00 177.57 178.09 1k2h h LEU 77 N 0.65 0.98 -0.24 2.57 6.46 -1.43 -2.20 115.31 122.11 1k2h h LEU 77 Ca 0.01 -0.51 -0.20 0.00 -0.12 0.00 0.00 57.88 57.06 1k2h h LEU 77 Cb 1.19 -0.28 0.00 0.00 -0.73 0.00 0.00 40.66 40.85 1k2h h LEU 77 CO 0.13 1.30 -0.63 0.58 -0.62 0.00 0.00 178.44 179.20 1k2h h VAL 78 N 0.69 1.27 -0.65 1.05 2.07 -1.38 -0.96 116.25 118.34 1k2h h VAL 78 Ca 0.03 -1.81 -0.04 0.00 0.82 0.00 0.00 66.70 65.70 1k2h h VAL 78 Cb 1.08 1.75 -0.03 0.00 -1.52 0.00 0.00 31.29 32.57 1k2h h VAL 78 CO 0.11 0.59 0.23 0.00 0.02 0.00 0.00 177.57 178.52 1k2h h ALA 79 N 0.63 1.18 -0.60 1.67 0.00 -1.33 -1.33 119.26 119.48 1k2h h ALA 79 Ca -0.01 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.64 1k2h h ALA 79 Cb 1.25 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 1k2h h ALA 79 CO 0.14 0.58 0.07 0.00 0.00 0.00 0.00 179.25 180.04 1k2h h ALA 80 N 1.30 0.98 -0.96 0.00 0.00 -1.21 -2.64 119.26 116.73 1k2h h ALA 80 Ca 0.22 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 1k2h h ALA 80 Cb 0.23 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 17.74 1k2h h ALA 80 CO -0.01 0.64 0.60 1.25 0.00 0.00 0.00 179.25 181.72 1k2h h LEU 81 N 0.93 1.13 -1.03 0.00 6.46 -0.08 -2.24 115.31 120.49 1k2h h LEU 81 Ca 0.18 -0.06 0.01 0.00 -0.12 0.00 0.00 57.88 57.90 1k2h h LEU 81 Cb 0.45 -0.29 -0.05 0.00 -0.73 0.00 0.00 40.66 40.04 1k2h h LEU 81 CO 0.02 0.85 0.66 0.74 -0.62 0.00 0.00 178.44 180.09 1k2h h THR 82 N 1.31 1.26 -0.75 1.05 2.02 -1.00 -0.97 112.91 115.83 1k2h h THR 82 Ca 0.35 -0.46 0.17 0.00 0.77 0.00 0.00 66.41 67.23 1k2h h THR 82 Cb -0.09 -0.21 -0.05 0.00 -1.74 0.00 0.00 68.15 66.07 1k2h h THR 82 CO -0.07 0.25 0.51 1.62 0.37 0.00 0.00 175.52 178.20 1k2h h VAL 83 N 1.35 0.75 0.00 3.16 3.04 -1.27 1.19 116.25 124.46 1k2h h VAL 83 Ca 0.36 -0.11 -0.01 0.00 -1.01 0.00 0.00 66.70 65.93 1k2h h VAL 83 Cb -0.16 0.40 -0.00 0.00 -2.01 0.00 0.00 31.29 29.52 1k2h h VAL 83 CO -0.08 0.06 -0.06 0.00 -1.01 0.00 0.00 177.57 176.48 1k2h h ALA 84 N 1.65 1.06 -1.80 3.17 0.00 -1.17 -3.21 119.26 118.96 1k2h h ALA 84 Ca 0.37 -0.05 -0.46 0.00 0.00 0.00 0.00 54.91 54.77 1k2h h ALA 84 Cb 0.98 -0.01 -0.40 0.00 0.00 0.00 0.00 17.79 18.36 1k2h h ALA 84 CO -0.10 0.07 -1.19 0.00 0.00 0.00 0.00 179.25 178.03 1k2h n ASN 86 N 0.20 0.47 -4.71 0.00 0.23 0.57 -4.81 115.26 107.22 1k2h n ASN 86 Ca 0.22 -1.08 -0.43 0.00 -0.53 0.00 0.00 54.58 52.76 1k2h n ASN 86 Cb 0.69 -0.24 -0.03 0.00 -2.08 0.00 0.00 39.78 38.12 1k2h n ASN 86 CO 0.00 0.00 0.00 -0.46 -0.93 0.00 0.00 177.26 175.87 1k2h n ASN 87 N 0.14 3.69 -0.06 0.53 6.94 -1.26 -4.88 115.26 120.36 1k2h n ASN 87 Ca 0.00 1.09 -0.09 0.00 -0.02 0.00 0.00 54.58 55.56 1k2h n ASN 87 Cb 0.12 -1.54 -0.06 0.00 -2.36 0.00 0.00 39.78 35.94 1k2h n ASN 87 CO 0.00 0.00 0.00 2.22 -1.03 0.00 0.00 177.26 178.45 1k2h n PHE 88 N 3.37 0.00 -0.09 -2.53 1.16 -1.26 -4.58 117.46 113.53 1k2h n PHE 88 Ca 0.15 0.00 -0.12 0.00 -1.87 0.00 0.00 57.45 55.60 1k2h n PHE 88 Cb 0.34 -0.50 0.00 0.00 -1.61 0.00 0.00 39.48 37.71 1k2h n PHE 88 CO 0.00 0.00 0.00 0.35 -1.87 0.00 0.00 176.76 175.24 1k2h h PHE 89 N 0.00 1.03 -0.60 2.97 3.04 -2.01 -3.15 116.94 118.22 1k2h h PHE 89 Ca -0.29 -0.31 -0.35 0.00 3.98 0.00 0.00 57.97 61.00 1k2h h PHE 89 Cb 1.46 -0.21 -0.14 0.00 2.56 0.00 0.00 35.95 39.61 1k2h h PHE 89 CO 0.01 1.12 0.35 0.91 -2.02 0.00 0.00 178.31 178.68 1k2h n TRP 90 N -4.04 1.41 -3.22 0.41 8.01 -1.26 -4.86 117.44 113.89 1k2h n TRP 90 Ca -0.02 -1.90 -0.43 0.00 -1.31 0.00 0.00 57.50 53.84 1k2h n TRP 90 Cb 0.55 -1.10 -0.07 0.00 -2.01 0.00 0.00 31.31 28.68 1k2h n TRP 90 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.69 174.68 1k2h s GLU 91 N -1.56 3.15 0.52 -0.99 2.12 -1.19 -4.81 118.70 115.94 1k2h s GLU 91 Ca 0.40 -0.70 -0.16 0.00 0.36 0.00 0.00 54.97 54.86 1k2h s GLU 91 Cb 0.28 -4.00 -0.07 0.00 0.26 0.00 0.00 34.13 30.59 1k2h s GLU 91 CO -0.07 -1.01 0.99 -0.80 -0.54 0.00 0.00 175.26 173.84 1k2h s ASN 92 N 2.13 6.55 0.00 -1.70 0.02 -1.26 -5.12 114.94 115.55 1k2h s ASN 92 Ca 0.16 1.59 0.00 0.00 -1.02 0.00 0.00 52.86 53.58 1k2h s ASN 92 Cb -0.17 -2.51 0.00 0.00 0.02 0.00 0.00 41.25 38.59 1k2h s ASN 92 CO 0.14 -0.64 0.00 -1.20 0.02 0.00 0.00 177.10 175.43