#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 4.62 0.23 1.61 0.15 -1.26 -4.74 113.70 114.30 1k2h s SER 2 Ca 0.00 0.82 -0.08 0.00 0.70 0.00 0.00 55.95 57.38 1k2h s SER 2 Cb 0.00 -1.34 0.20 0.00 -1.71 0.00 0.00 66.02 63.17 1k2h s SER 2 CO 0.00 -1.84 1.90 -0.33 1.20 0.00 0.00 173.24 174.18 1k2h h GLU 3 N -1.00 1.15 0.05 5.44 5.08 -2.05 0.22 114.58 123.46 1k2h h GLU 3 Ca -0.46 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 57.83 1k2h h GLU 3 Cb 1.32 -0.26 0.00 0.00 0.50 0.00 0.00 28.75 30.31 1k2h h GLU 3 CO 0.66 0.76 -0.03 -0.07 -1.00 0.00 0.00 179.01 179.33 1k2h h LEU 4 N 1.18 -0.06 -0.98 1.33 3.38 -2.00 -2.72 115.31 115.44 1k2h h LEU 4 Ca 0.32 -0.54 0.01 0.00 0.09 0.00 0.00 57.88 57.75 1k2h h LEU 4 Cb -0.14 0.02 -0.05 0.00 0.09 0.00 0.00 40.66 40.58 1k2h h LEU 4 CO -0.07 0.55 0.64 -0.08 0.09 0.00 0.00 178.44 179.57 1k2h h GLU 5 N -0.71 1.29 -0.93 1.13 4.22 -1.92 -2.36 114.58 115.31 1k2h h GLU 5 Ca -0.01 -0.08 -0.01 0.00 0.08 0.00 0.00 59.36 59.34 1k2h h GLU 5 Cb 0.60 -0.29 -0.04 0.00 0.50 0.00 0.00 28.75 29.52 1k2h h GLU 5 CO 0.01 0.86 0.54 1.15 -2.18 0.00 0.00 179.01 179.39 1k2h h THR 6 N 1.33 1.26 -0.89 0.32 2.02 -0.61 -2.63 112.91 113.72 1k2h h THR 6 Ca 0.36 -0.61 0.00 0.00 0.77 0.00 0.00 66.41 66.93 1k2h h THR 6 Cb -0.15 -0.03 -0.04 0.00 -1.74 0.00 0.00 68.15 66.19 1k2h h THR 6 CO -0.08 0.28 0.57 0.00 0.37 0.00 0.00 175.52 176.67 1k2h h ALA 7 N 1.29 1.13 -0.86 6.16 0.00 -1.09 -2.36 119.26 123.53 1k2h h ALA 7 Ca 0.33 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.17 1k2h h ALA 7 Cb -0.02 -0.36 -0.04 0.00 0.00 0.00 0.00 17.79 17.37 1k2h h ALA 7 CO -0.06 0.55 0.57 0.52 0.00 0.00 0.00 179.25 180.83 1k2h h MET 8 N 1.21 1.13 -1.00 0.00 2.86 -1.34 -1.55 114.93 116.24 1k2h h MET 8 Ca 0.32 -0.07 0.01 0.00 -2.06 0.00 0.00 59.70 57.90 1k2h h MET 8 Cb -0.11 -0.25 -0.05 0.00 0.06 0.00 0.00 31.60 31.25 1k2h h MET 8 CO -0.07 0.75 0.66 0.93 1.06 0.00 0.00 176.91 180.25 1k2h h GLU 9 N 1.17 1.33 -0.79 1.72 5.08 -1.34 -1.00 114.58 120.74 1k2h h GLU 9 Ca 0.31 -0.08 -0.03 0.00 -1.00 0.00 0.00 59.36 58.56 1k2h h GLU 9 Cb -0.13 -0.30 -0.04 0.00 0.50 0.00 0.00 28.75 28.79 1k2h h GLU 9 CO -0.07 0.88 0.38 1.15 -1.00 0.00 0.00 179.01 180.35 1k2h h THR 10 N 1.36 1.25 -1.00 1.13 2.02 -1.19 -2.43 112.91 114.05 1k2h h THR 10 Ca 0.37 -0.69 0.08 0.00 0.77 0.00 0.00 66.41 66.93 1k2h h THR 10 Cb -0.15 0.23 -0.07 0.00 -1.74 0.00 0.00 68.15 66.42 1k2h h THR 10 CO -0.08 0.30 0.64 -0.07 0.37 0.00 0.00 175.52 176.68 1k2h h LEU 11 N 1.13 1.01 -0.39 2.58 4.07 -0.48 -1.97 115.31 121.26 1k2h h LEU 11 Ca 0.27 0.02 0.00 0.00 0.08 0.00 0.00 57.88 58.25 1k2h h LEU 11 Cb 0.11 -0.20 -0.02 0.00 1.08 0.00 0.00 40.66 41.64 1k2h h LEU 11 CO -0.03 0.63 0.26 0.40 -1.08 0.00 0.00 178.44 178.61 1k2h h ILE 12 N 1.14 1.10 -1.01 1.22 1.08 -1.09 -2.59 117.51 117.36 1k2h h ILE 12 Ca 0.44 -0.18 0.01 0.00 -0.39 0.00 0.00 64.86 64.74 1k2h h ILE 12 Cb 0.23 0.52 -0.05 0.00 -3.07 0.00 0.00 36.82 34.45 1k2h h ILE 12 CO -0.19 0.10 0.66 -1.13 -0.69 0.00 0.00 178.15 176.90 1k2h h ASN 13 N 0.53 1.16 -0.81 1.72 -1.24 -1.35 -2.62 115.58 112.96 1k2h h ASN 13 Ca 0.14 -0.03 -0.04 0.00 0.71 0.00 0.00 56.30 57.08 1k2h h ASN 13 Cb -0.06 -0.29 -0.04 0.00 0.73 0.00 0.00 38.32 38.67 1k2h h ASN 13 CO -0.03 0.84 0.34 0.58 -1.29 0.00 0.00 177.43 177.87 1k2h h VAL 14 N 1.36 1.26 -0.96 2.57 2.07 -1.10 -1.92 116.25 119.54 1k2h h VAL 14 Ca 0.37 -0.80 0.19 0.00 0.82 0.00 0.00 66.70 67.28 1k2h h VAL 14 Cb -0.16 0.27 -0.09 0.00 -1.52 0.00 0.00 31.29 29.79 1k2h h VAL 14 CO -0.08 0.33 0.61 -0.26 0.02 0.00 0.00 177.57 178.19 1k2h h PHE 15 N 1.18 0.83 -0.94 1.57 0.04 -1.18 0.77 116.94 119.21 1k2h h PHE 15 Ca 0.27 0.03 0.08 0.00 2.80 0.00 0.00 57.97 61.15 1k2h h PHE 15 Cb 0.19 -0.25 -0.07 0.00 2.20 0.00 0.00 35.95 38.02 1k2h h PHE 15 CO 0.02 0.21 0.60 1.25 -0.60 0.00 0.00 178.31 179.80 1k2h h HIS 16 N 0.62 1.07 -0.07 -0.55 2.76 -1.35 2.74 115.15 120.36 1k2h h HIS 16 Ca 0.52 0.03 0.04 0.00 -2.20 0.00 0.00 60.37 58.76 1k2h h HIS 16 Cb 0.99 -0.35 -0.06 0.00 1.55 0.00 0.00 27.41 29.54 1k2h h HIS 16 CO -0.00 0.52 -0.41 0.00 -1.30 0.00 0.00 177.93 176.74 1k2h h ALA 17 N 1.51 -0.61 0.07 5.26 0.00 0.58 1.26 119.26 127.33 1k2h h ALA 17 Ca 0.42 -0.02 -0.25 0.00 0.00 0.00 0.00 54.91 55.06 1k2h h ALA 17 Cb 0.28 0.76 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 1k2h h ALA 17 CO -0.17 -0.93 -1.30 0.45 0.00 0.00 0.00 179.25 177.30 1k2h h HIS 18 N -0.52 0.26 0.08 0.00 3.86 -1.37 -3.37 115.15 114.08 1k2h h HIS 18 Ca 0.06 -0.19 -0.28 0.00 -1.16 0.00 0.00 60.37 58.81 1k2h h HIS 18 Cb 0.63 -0.01 0.02 0.00 1.06 0.00 0.00 27.41 29.11 1k2h h HIS 18 CO -0.45 1.51 -1.17 0.66 0.86 0.00 0.00 177.93 179.34 1k2h h SER 19 N -0.56 0.80 -0.98 2.45 4.64 0.48 -3.27 113.55 117.11 1k2h h SER 19 Ca -0.31 -0.71 0.21 0.00 -0.47 0.00 0.00 61.79 60.52 1k2h h SER 19 Cb 1.57 -0.25 -0.09 0.00 -0.31 0.00 0.00 62.40 63.32 1k2h h SER 19 CO -0.03 1.52 0.62 1.23 -0.87 0.00 0.00 176.83 179.30 1k2h h GLY 20 N 0.57 1.33 2.00 -0.77 0.00 0.20 1.99 103.07 108.39 1k2h h GLY 20 Ca -0.16 -0.26 0.00 0.00 0.00 0.00 0.00 47.33 46.91 1k2h h GLY 20 CO 0.22 -0.06 0.00 1.70 0.00 0.00 0.00 176.54 178.40 1k2h h LYS 21 N 0.55 0.00 -5.51 4.80 1.63 -1.59 -3.41 116.57 113.04 1k2h h LYS 21 Ca 0.55 0.00 -0.64 0.00 -0.85 0.00 0.00 60.65 59.70 1k2h h LYS 21 Cb 1.14 0.00 -0.15 0.00 -0.60 0.00 0.00 32.23 32.63 1k2h h LYS 21 CO -0.29 0.00 -0.57 -1.21 -3.45 0.00 0.00 179.45 173.93 1k2h s GLU 22 N -3.44 3.64 0.00 1.90 2.02 0.67 -4.95 118.70 118.54 1k2h s GLU 22 Ca 0.02 -0.33 0.00 0.00 0.02 0.00 0.00 54.97 54.68 1k2h s GLU 22 Cb 0.09 -3.09 0.01 0.00 0.10 0.00 0.00 34.13 31.23 1k2h s GLU 22 CO 0.38 0.46 0.86 0.41 0.02 0.00 0.00 175.26 177.39 1k2h n GLY 23 N 2.94 -0.35 3.48 -1.39 0.00 -1.26 -4.25 105.19 104.35 1k2h n GLY 23 Ca -0.18 -0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.41 1k2h n GLY 23 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1k2h s ASP 24 N -2.70 6.26 0.21 1.61 -1.08 -1.26 -4.92 116.67 114.79 1k2h s ASP 24 Ca 0.00 -0.64 -0.07 0.00 -0.52 0.00 0.00 52.55 51.32 1k2h s ASP 24 Cb 0.00 -2.29 0.15 0.00 -1.46 0.00 0.00 42.92 39.32 1k2h s ASP 24 CO 0.00 -0.79 1.73 0.11 0.52 0.00 0.00 175.17 176.74 1k2h h LYS 25 N 8.90 1.12 -6.63 4.34 1.57 -1.84 -3.43 116.57 120.60 1k2h h LYS 25 Ca -0.26 -0.26 -0.46 0.00 -1.87 0.00 0.00 60.65 57.80 1k2h h LYS 25 Cb 1.10 -0.15 0.24 0.00 0.08 0.00 0.00 32.23 33.49 1k2h h LYS 25 CO 0.90 0.98 -1.21 0.66 -0.57 0.00 0.00 179.45 180.22 1k2h n TYR 26 N -4.23 -1.40 0.00 -1.35 4.01 -1.26 -4.86 117.16 108.06 1k2h n TYR 26 Ca 0.05 0.17 0.00 0.00 -0.16 0.00 0.00 57.90 57.96 1k2h n TYR 26 Cb 0.26 -1.54 0.00 0.00 -0.31 0.00 0.00 39.34 37.74 1k2h n TYR 26 CO 0.00 0.00 0.00 1.17 -0.46 0.00 0.00 176.86 177.57 1k2h n LYS 27 N -1.80 0.00 -3.05 -0.72 3.00 -1.03 -4.85 118.16 109.71 1k2h n LYS 27 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1k2h n LYS 27 Cb 0.64 -0.30 0.00 0.00 0.00 0.00 0.00 35.03 35.36 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 -4.62 3.14 -0.00 -1.14 -4.68 117.00 109.70 1k2h n LEU 28 Ca 0.00 0.00 -0.39 0.00 -0.00 0.00 0.00 56.01 55.62 1k2h n LEU 28 Cb 0.00 0.00 0.03 0.00 -0.00 0.00 0.00 43.42 43.45 1k2h n LEU 28 CO 0.00 0.00 0.58 -0.24 -0.00 0.00 0.00 177.39 177.73 1k2h n SER 29 N 0.14 1.09 -0.20 1.45 2.88 -1.26 -2.57 113.62 115.16 1k2h n SER 29 Ca 0.00 0.93 -0.06 0.00 -1.33 0.00 0.00 58.87 58.40 1k2h n SER 29 Cb 0.00 -1.38 0.03 0.00 -0.75 0.00 0.00 64.21 62.11 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 1.07 0.75 -1.00 -1.46 1.57 -1.55 -0.35 116.57 115.59 1k2h h LYS 30 Ca -0.47 -0.05 0.01 0.00 -1.87 0.00 0.00 60.65 58.28 1k2h h LYS 30 Cb 1.35 -0.17 -0.05 0.00 0.08 0.00 0.00 32.23 33.44 1k2h h LYS 30 CO 0.54 0.50 0.66 -0.22 -0.57 0.00 0.00 179.45 180.36 1k2h h LYS 31 N 0.77 1.31 0.00 3.15 1.63 -1.41 -2.11 116.57 119.92 1k2h h LYS 31 Ca 0.21 -0.08 -0.16 0.00 -0.85 0.00 0.00 60.65 59.77 1k2h h LYS 31 Cb -0.09 -0.30 -0.02 0.00 -0.60 0.00 0.00 32.23 31.22 1k2h h LYS 31 CO -0.05 0.87 -0.75 1.49 -3.45 0.00 0.00 179.45 177.57 1k2h h GLU 32 N 1.35 0.00 -0.13 1.90 4.81 -1.78 -3.17 114.58 117.56 1k2h h GLU 32 Ca 0.37 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.60 1k2h h GLU 32 Cb -0.14 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.23 1k2h h GLU 32 CO -0.08 0.75 0.08 1.25 -0.73 0.00 0.00 179.01 180.27 1k2h h LEU 33 N 0.00 0.12 -0.73 1.64 7.12 -0.38 -1.95 115.31 121.13 1k2h h LEU 33 Ca -0.01 0.00 -0.09 0.00 0.13 0.00 0.00 57.88 57.92 1k2h h LEU 33 Cb 1.54 -0.02 -0.02 0.00 -0.53 0.00 0.00 40.66 41.63 1k2h h LEU 33 CO 0.10 0.09 0.01 0.50 -0.13 0.00 0.00 178.44 179.01 1k2h h LYS 34 N 0.16 0.98 -1.01 1.25 1.63 -1.56 -2.65 116.57 115.38 1k2h h LYS 34 Ca 0.05 -0.29 0.01 0.00 -0.85 0.00 0.00 60.65 59.57 1k2h h LYS 34 Cb -0.00 -0.10 -0.05 0.00 -0.60 0.00 0.00 32.23 31.48 1k2h h LYS 34 CO -0.02 0.96 0.67 0.22 -3.45 0.00 0.00 179.45 177.82 1k2h h ASP 35 N 0.90 1.15 0.31 4.20 1.82 -1.44 -0.73 116.42 122.64 1k2h h ASP 35 Ca 0.17 -0.03 -0.02 0.00 -0.39 0.00 0.00 57.03 56.76 1k2h h ASP 35 Cb 0.51 -0.29 0.00 0.00 0.68 0.00 0.00 39.33 40.24 1k2h h ASP 35 CO 0.03 0.84 -0.15 -0.07 -1.61 0.00 0.00 179.24 178.27 1k2h h LEU 36 N 1.36 -0.36 -0.70 2.28 3.38 -1.13 -3.18 115.31 116.97 1k2h h LEU 36 Ca 0.37 -0.15 -0.14 0.00 0.09 0.00 0.00 57.88 58.05 1k2h h LEU 36 Cb -0.16 0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 1k2h h LEU 36 CO -0.08 0.11 -0.60 -0.07 0.09 0.00 0.00 178.44 177.89 1k2h h LEU 37 N -1.00 0.20 -2.01 1.67 3.38 -1.52 -2.80 115.31 113.24 1k2h h LEU 37 Ca -0.04 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 57.81 1k2h h LEU 37 Cb 0.48 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.18 1k2h h LEU 37 CO 0.07 0.75 -0.00 -0.61 0.09 0.00 0.00 178.44 178.74 1k2h h GLN 38 N 0.13 0.00 -0.32 1.13 4.15 -1.25 0.98 115.11 119.92 1k2h h GLN 38 Ca -0.01 0.00 -0.18 0.00 0.77 0.00 0.00 58.65 59.24 1k2h h GLN 38 Cb 1.09 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.78 1k2h h GLN 38 CO 0.09 0.00 -0.49 1.15 -1.93 0.00 0.00 178.83 177.65 1k2h h THR 39 N 0.00 1.27 0.00 2.39 2.02 -1.47 -2.32 112.91 114.81 1k2h h THR 39 Ca -0.00 -1.67 0.00 0.00 0.77 0.00 0.00 66.41 65.51 1k2h h THR 39 Cb 0.00 1.55 0.00 0.00 -1.74 0.00 0.00 68.15 67.96 1k2h h THR 39 CO 0.00 0.55 -0.33 -1.84 0.37 0.00 0.00 175.52 174.27 1k2h n GLU 40 N -4.03 0.15 -0.74 6.66 0.28 -0.75 -3.23 120.64 118.99 1k2h n GLU 40 Ca -0.04 0.07 0.08 0.00 -0.16 0.00 0.00 57.16 57.12 1k2h n GLU 40 Cb 0.60 -1.62 0.38 0.00 1.43 0.00 0.00 31.44 32.22 1k2h n GLU 40 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 1k2h n LEU 41 N -1.86 5.18 -0.38 -1.84 4.77 0.26 -4.47 117.00 118.66 1k2h n LEU 41 Ca 0.05 -2.70 -0.02 0.00 -0.03 0.00 0.00 56.01 53.31 1k2h n LEU 41 Cb 0.39 -0.63 0.11 0.00 -2.33 0.00 0.00 43.42 40.96 1k2h n LEU 41 CO 0.33 0.72 1.29 0.28 -1.33 0.00 0.00 177.39 178.68 1k2h h SER 42 N 3.94 1.16 -0.88 -1.43 0.02 -1.39 -0.64 113.55 114.32 1k2h h SER 42 Ca 0.00 -0.03 -0.02 0.00 -0.84 0.00 0.00 61.79 60.89 1k2h h SER 42 Cb 1.70 -0.29 -0.04 0.00 0.14 0.00 0.00 62.40 63.91 1k2h h SER 42 CO 0.35 0.84 0.46 0.28 -1.14 0.00 0.00 176.83 177.62 1k2h h SER 43 N 1.36 1.13 -0.94 3.07 0.02 -1.87 -0.24 113.55 116.09 1k2h h SER 43 Ca 0.37 -0.12 -0.01 0.00 -0.84 0.00 0.00 61.79 61.19 1k2h h SER 43 Cb -0.15 -0.29 -0.04 0.00 0.14 0.00 0.00 62.40 62.06 1k2h h SER 43 CO -0.08 0.92 0.55 -0.26 -1.14 0.00 0.00 176.83 176.82 1k2h h PHE 44 N 1.25 1.25 0.00 3.45 0.04 -1.53 0.50 116.94 121.91 1k2h h PHE 44 Ca 0.31 -0.01 0.00 0.00 2.80 0.00 0.00 57.97 61.06 1k2h h PHE 44 Cb 0.07 -0.41 0.00 0.00 2.20 0.00 0.00 35.95 37.81 1k2h h PHE 44 CO 0.01 0.84 0.00 1.28 -0.60 0.00 0.00 178.31 179.85 1k2h n LEU 45 N -4.34 0.00 -0.31 1.54 4.32 -0.20 -2.77 117.00 115.24 1k2h n LEU 45 Ca 0.10 0.40 0.07 0.00 -0.02 0.00 0.00 56.01 56.56 1k2h n LEU 45 Cb 0.07 -0.40 0.28 0.00 -1.62 0.00 0.00 43.42 41.76 1k2h n LEU 45 CO 0.38 -0.25 1.24 -0.78 -1.22 0.00 0.00 177.39 176.75 1k2h h ASP 46 N 0.00 0.84 -2.08 -1.43 1.82 0.10 -3.35 116.42 112.32 1k2h h ASP 46 Ca 0.00 0.03 -0.44 0.00 -0.39 0.00 0.00 57.03 56.23 1k2h h ASP 46 Cb 0.14 -0.14 -0.33 0.00 0.68 0.00 0.00 39.33 39.68 1k2h h ASP 46 CO 0.00 0.48 -0.76 0.54 -1.61 0.00 0.00 179.24 177.89 1k2h s VAL 47 N -5.85 -0.16 -0.07 2.25 0.11 -1.11 -5.10 120.40 110.45 1k2h s VAL 47 Ca -0.11 -1.45 -0.30 0.00 -2.93 0.00 0.00 61.98 57.19 1k2h s VAL 47 Cb 0.21 -0.81 -0.05 0.00 -1.53 0.00 0.00 36.38 34.21 1k2h s VAL 47 CO 0.80 -0.75 1.53 -1.10 -3.33 0.00 0.00 175.10 172.26 1k2h s GLN 48 N 1.05 4.20 -0.06 1.54 -0.21 -1.26 -4.64 119.66 120.29 1k2h s GLN 48 Ca 0.21 2.04 -0.00 0.00 0.02 0.00 0.00 55.36 57.63 1k2h s GLN 48 Cb -0.12 -3.89 -0.00 0.00 1.00 0.00 0.00 33.01 30.00 1k2h s GLN 48 CO -0.05 -0.79 -0.00 0.87 -2.12 0.00 0.00 175.29 173.20 1k2h h LYS 49 N 9.02 0.00 -4.08 2.91 1.79 0.55 -3.42 116.57 123.34 1k2h h LYS 49 Ca -0.36 0.00 -0.76 0.00 -2.18 0.00 0.00 60.65 57.35 1k2h h LYS 49 Cb 1.16 0.00 -0.24 0.00 -1.58 0.00 0.00 32.23 31.57 1k2h h LYS 49 CO 0.95 0.00 -0.20 -0.51 -1.08 0.00 0.00 179.45 178.61 1k2h s ASP 50 N -4.44 6.22 0.47 0.86 1.01 -1.07 -4.88 116.67 114.83 1k2h s ASP 50 Ca -0.00 -1.83 0.30 0.00 0.71 0.00 0.00 52.55 51.73 1k2h s ASP 50 Cb 0.00 -2.21 1.11 0.00 1.01 0.00 0.00 42.92 42.83 1k2h s ASP 50 CO 0.00 -0.85 1.87 0.00 0.21 0.00 0.00 175.17 176.40 1k2h h ALA 51 N 8.84 1.00 -0.27 5.23 0.00 -1.85 -2.92 119.26 129.30 1k2h h ALA 51 Ca -0.28 0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.46 1k2h h ALA 51 Cb 1.10 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.88 1k2h h ALA 51 CO 1.03 0.00 -0.52 0.22 0.00 0.00 0.00 179.25 179.98 1k2h h ASP 52 N 0.00 0.85 0.08 0.00 1.82 -1.98 -0.73 116.42 116.46 1k2h h ASP 52 Ca 0.00 -0.44 -0.00 0.00 -0.39 0.00 0.00 57.03 56.19 1k2h h ASP 52 Cb 0.58 -0.24 0.00 0.00 0.68 0.00 0.00 39.33 40.34 1k2h h ASP 52 CO 0.00 1.21 -0.04 0.00 -1.61 0.00 0.00 179.24 178.80 1k2h h ALA 53 N 0.81 -0.10 -0.98 -0.78 0.00 -1.89 -1.72 119.26 114.59 1k2h h ALA 53 Ca 0.02 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.75 1k2h h ALA 53 Cb 1.10 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.88 1k2h h ALA 53 CO 0.11 -0.37 0.65 0.28 0.00 0.00 0.00 179.25 179.92 1k2h h VAL 54 N -0.48 1.25 -0.93 0.00 2.07 -1.59 -2.29 116.25 114.28 1k2h h VAL 54 Ca -0.01 -0.46 -0.01 0.00 0.82 0.00 0.00 66.70 67.04 1k2h h VAL 54 Cb 0.41 -0.19 -0.04 0.00 -1.52 0.00 0.00 31.29 29.94 1k2h h VAL 54 CO 0.02 0.24 0.55 -0.78 0.02 0.00 0.00 177.57 177.63 1k2h h ASP 55 N 1.33 1.13 -0.55 0.57 1.82 -1.01 -2.14 116.42 117.57 1k2h h ASP 55 Ca 0.36 -0.07 -0.10 0.00 -0.39 0.00 0.00 57.03 56.82 1k2h h ASP 55 Cb -0.15 -0.28 -0.02 0.00 0.68 0.00 0.00 39.33 39.55 1k2h h ASP 55 CO -0.08 0.87 -0.04 0.11 -1.61 0.00 0.00 179.24 178.49 1k2h h LYS 56 N 1.29 1.02 -0.07 0.28 1.57 -0.76 -2.19 116.57 117.71 1k2h h LYS 56 Ca 0.33 -0.34 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1k2h h LYS 56 Cb -0.04 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.18 1k2h h LYS 56 CO -0.06 1.03 0.04 0.82 -0.57 0.00 0.00 179.45 180.71 1k2h h ILE 57 N 0.93 1.02 0.00 1.86 2.04 -1.04 -1.48 117.51 120.83 1k2h h ILE 57 Ca 0.16 -0.03 -0.00 0.00 1.00 0.00 0.00 64.86 65.99 1k2h h ILE 57 Cb 0.60 0.92 -0.00 0.00 -0.74 0.00 0.00 36.82 37.60 1k2h h ILE 57 CO 0.04 0.02 -0.00 -0.03 0.00 0.00 0.00 178.15 178.17 1k2h h MET 58 N 0.09 0.00 -0.71 2.37 4.05 -1.22 -1.78 114.93 117.73 1k2h h MET 58 Ca 0.02 0.00 -0.04 0.00 -0.28 0.00 0.00 59.70 59.41 1k2h h MET 58 Cb -0.01 0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 30.76 1k2h h MET 58 CO -0.01 0.00 0.29 -0.22 0.23 0.00 0.00 176.91 177.21 1k2h h LYS 59 N 0.00 1.04 -0.45 0.39 3.64 -0.62 -1.37 116.57 119.20 1k2h h LYS 59 Ca -0.00 -0.17 -0.14 0.00 -1.27 0.00 0.00 60.65 59.07 1k2h h LYS 59 Cb 0.00 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 31.64 1k2h h LYS 59 CO 0.00 0.84 -0.28 0.93 -2.27 0.00 0.00 179.45 178.67 1k2h h GLU 60 N 1.02 0.98 0.00 1.90 5.08 -1.21 -1.02 114.58 121.32 1k2h h GLU 60 Ca 0.24 -0.45 -0.03 0.00 -1.00 0.00 0.00 59.36 58.11 1k2h h GLU 60 Cb 0.18 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.41 1k2h h GLU 60 CO -0.02 1.12 -0.15 -0.07 -1.00 0.00 0.00 179.01 178.89 1k2h h LEU 61 N 0.82 0.00 0.00 1.33 4.07 -1.52 -2.20 115.31 117.81 1k2h h LEU 61 Ca 0.09 0.00 -0.26 0.00 0.08 0.00 0.00 57.88 57.79 1k2h h LEU 61 Cb 0.87 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 42.57 1k2h h LEU 61 CO 0.08 0.15 -1.46 -0.78 -1.08 0.00 0.00 178.44 175.35 1k2h h ASP 62 N 0.00 0.00 1.00 -0.43 1.82 -1.16 0.65 116.42 118.30 1k2h h ASP 62 Ca -0.00 0.00 -0.20 0.00 -0.39 0.00 0.00 57.03 56.44 1k2h h ASP 62 Cb 1.05 0.00 -0.03 0.00 0.68 0.00 0.00 39.33 41.03 1k2h h ASP 62 CO 0.02 0.97 -1.04 1.05 -1.61 0.00 0.00 179.24 178.63 1k2h h GLU 63 N 0.00 0.00 -0.34 0.28 4.11 -1.20 -3.38 114.58 114.05 1k2h h GLU 63 Ca -0.19 0.00 -0.23 0.00 0.07 0.00 0.00 59.36 59.01 1k2h h GLU 63 Cb 1.91 0.00 -0.36 0.00 0.50 0.00 0.00 28.75 30.80 1k2h h GLU 63 CO 0.09 0.76 -0.99 0.09 0.07 0.00 0.00 179.01 179.04 1k2h n ASN 64 N -3.24 1.08 0.28 3.06 5.03 -0.83 -4.90 115.26 115.74 1k2h n ASN 64 Ca -0.03 -2.05 0.07 0.00 0.87 0.00 0.00 54.58 53.44 1k2h n ASN 64 Cb 0.91 -0.29 0.36 0.00 -1.02 0.00 0.00 39.78 39.73 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 2.28 0.00 -0.51 7.41 0.00 0.18 2.07 103.07 114.50 1k2h h GLY 65 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.14 1k2h h GLY 65 CO 0.12 0.00 0.00 1.22 0.00 0.00 0.00 176.54 177.88 1k2h n ASP 66 N -2.47 1.51 -3.44 0.19 8.00 -1.26 -1.24 116.55 117.84 1k2h n ASP 66 Ca -0.01 -1.53 0.00 0.00 0.71 0.00 0.00 54.79 53.96 1k2h n ASP 66 Cb 0.63 -0.02 0.00 0.00 -0.02 0.00 0.00 41.12 41.71 1k2h n ASP 66 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1k2h n GLY 67 N 1.16 -1.68 3.14 0.44 0.00 0.70 -4.81 105.19 104.14 1k2h n GLY 67 Ca 0.19 -1.39 -0.11 0.00 0.00 0.00 0.00 46.02 44.71 1k2h n GLY 67 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1k2h s GLU 68 N 0.00 0.59 0.04 1.61 2.56 -1.26 -3.24 118.70 119.00 1k2h s GLU 68 Ca 0.00 -0.53 0.02 0.00 0.00 0.00 0.00 54.97 54.45 1k2h s GLU 68 Cb 0.00 0.24 -0.02 0.00 2.00 0.00 0.00 34.13 36.35 1k2h s GLU 68 CO 0.00 -0.16 -0.07 0.14 -0.56 0.00 0.00 175.26 174.62 1k2h s VAL 69 N -2.02 0.44 0.00 3.70 -7.23 -1.06 -4.82 120.40 109.42 1k2h s VAL 69 Ca -0.10 -1.10 0.00 0.00 -1.81 0.00 0.00 61.98 58.97 1k2h s VAL 69 Cb -0.04 -0.61 0.00 0.00 0.56 0.00 0.00 36.38 36.29 1k2h s VAL 69 CO -0.01 -0.45 0.00 0.47 -0.31 0.00 0.00 175.10 174.80 1k2h n ASP 70 N 1.38 1.59 -0.05 4.85 8.00 -1.26 -2.48 116.55 128.58 1k2h n ASP 70 Ca -0.22 0.00 -0.10 0.00 0.71 0.00 0.00 54.79 55.18 1k2h n ASP 70 Cb 0.55 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.62 1k2h n ASP 70 CO 0.00 0.00 0.00 2.19 -0.39 0.00 0.00 177.20 179.00 1k2h h PHE 71 N 0.00 0.29 0.00 1.24 -0.00 -1.94 0.39 116.94 116.92 1k2h h PHE 71 Ca 0.00 0.01 -0.08 0.00 -0.00 0.00 0.00 57.97 57.89 1k2h h PHE 71 Cb 0.00 -0.10 -0.01 0.00 -0.00 0.00 0.00 35.95 35.84 1k2h h PHE 71 CO 0.00 0.18 -0.39 0.37 -0.00 0.00 0.00 178.31 178.47 1k2h h GLN 72 N 0.31 0.00 0.18 6.09 -0.00 -1.98 -1.80 115.11 117.90 1k2h h GLN 72 Ca 0.08 0.00 -0.32 0.00 -0.00 0.00 0.00 58.65 58.42 1k2h h GLN 72 Cb -0.03 0.00 0.03 0.00 0.00 0.00 0.00 27.48 27.48 1k2h h GLN 72 CO -0.02 0.39 -1.35 0.93 0.00 0.00 0.00 178.83 178.78 1k2h h GLU 73 N 0.00 0.60 -0.55 1.69 3.07 -1.81 -1.87 114.58 115.70 1k2h h GLU 73 Ca -0.00 -0.88 -0.10 0.00 -0.50 0.00 0.00 59.36 57.87 1k2h h GLU 73 Cb 0.80 0.31 -0.02 0.00 -0.84 0.00 0.00 28.75 29.00 1k2h h GLU 73 CO 0.05 1.41 -0.05 0.35 -1.40 0.00 0.00 179.01 179.37 1k2h h PHE 74 N 0.23 1.10 -0.05 4.33 3.57 -0.11 -1.70 116.94 124.31 1k2h h PHE 74 Ca -0.22 -0.20 -0.18 0.00 3.53 0.00 0.00 57.97 60.90 1k2h h PHE 74 Cb 2.03 -0.28 0.01 0.00 2.79 0.00 0.00 35.95 40.50 1k2h h PHE 74 CO 0.12 1.00 -0.69 0.28 -2.23 0.00 0.00 178.31 176.79 1k2h h VAL 75 N 0.90 1.36 -0.34 1.41 2.07 -1.38 -2.21 116.25 118.06 1k2h h VAL 75 Ca 0.15 -2.03 -0.16 0.00 0.82 0.00 0.00 66.70 65.49 1k2h h VAL 75 Cb 0.60 2.37 -0.00 0.00 -1.52 0.00 0.00 31.29 32.73 1k2h h VAL 75 CO 0.04 0.61 -0.41 0.58 0.02 0.00 0.00 177.57 178.41 1k2h h VAL 76 N 0.14 1.28 -0.32 2.57 2.07 -1.33 -2.00 116.25 118.65 1k2h h VAL 76 Ca -0.07 -1.59 -0.17 0.00 0.82 0.00 0.00 66.70 65.69 1k2h h VAL 76 Cb 1.36 1.49 -0.00 0.00 -1.52 0.00 0.00 31.29 32.62 1k2h h VAL 76 CO 0.14 0.52 -0.48 0.25 0.02 0.00 0.00 177.57 178.02 1k2h h LEU 77 N 0.67 0.97 -0.38 2.57 6.46 -1.40 -2.13 115.31 122.08 1k2h h LEU 77 Ca 0.05 -0.51 -0.16 0.00 -0.12 0.00 0.00 57.88 57.13 1k2h h LEU 77 Cb 1.01 -0.28 -0.01 0.00 -0.73 0.00 0.00 40.66 40.65 1k2h h LEU 77 CO 0.10 1.29 -0.40 0.58 -0.62 0.00 0.00 178.44 179.39 1k2h h VAL 78 N 0.68 1.27 -0.84 1.05 2.07 -1.40 -1.73 116.25 117.34 1k2h h VAL 78 Ca 0.03 -1.58 -0.03 0.00 0.82 0.00 0.00 66.70 65.94 1k2h h VAL 78 Cb 1.08 1.40 -0.04 0.00 -1.52 0.00 0.00 31.29 32.22 1k2h h VAL 78 CO 0.11 0.53 0.42 0.00 0.02 0.00 0.00 177.57 178.64 1k2h h ALA 79 N 0.76 1.14 -0.94 1.67 0.00 -1.35 -1.45 119.26 119.09 1k2h h ALA 79 Ca 0.06 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1k2h h ALA 79 Cb 1.00 -0.34 -0.05 0.00 0.00 0.00 0.00 17.79 18.41 1k2h h ALA 79 CO 0.10 0.66 0.59 0.00 0.00 0.00 0.00 179.25 180.59 1k2h h ALA 80 N 1.25 1.27 -0.66 0.00 0.00 -1.09 -2.21 119.26 117.82 1k2h h ALA 80 Ca 0.29 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 55.04 1k2h h ALA 80 Cb 0.10 -0.38 -0.03 0.00 0.00 0.00 0.00 17.79 17.49 1k2h h ALA 80 CO -0.04 0.65 0.11 1.25 0.00 0.00 0.00 179.25 181.22 1k2h h LEU 81 N 1.28 1.05 -0.86 0.00 6.46 -0.37 -2.83 115.31 120.05 1k2h h LEU 81 Ca 0.34 -0.26 -0.03 0.00 -0.12 0.00 0.00 57.88 57.81 1k2h h LEU 81 Cb -0.09 -0.28 -0.04 0.00 -0.73 0.00 0.00 40.66 39.52 1k2h h LEU 81 CO -0.07 1.04 0.41 0.74 -0.62 0.00 0.00 178.44 179.94 1k2h h THR 82 N 1.02 1.26 -0.97 1.05 2.02 -0.81 -1.37 112.91 115.10 1k2h h THR 82 Ca 0.20 -0.74 0.26 0.00 0.77 0.00 0.00 66.41 66.90 1k2h h THR 82 Cb 0.44 0.17 -0.06 0.00 -1.74 0.00 0.00 68.15 66.96 1k2h h THR 82 CO 0.01 0.32 0.67 1.62 0.37 0.00 0.00 175.52 178.51 1k2h h VAL 83 N 1.22 0.55 0.00 3.16 3.04 -1.17 3.02 116.25 126.07 1k2h h VAL 83 Ca 0.29 -0.06 -0.03 0.00 -1.01 0.00 0.00 66.70 65.89 1k2h h VAL 83 Cb 0.12 0.35 -0.00 0.00 -2.01 0.00 0.00 31.29 29.75 1k2h h VAL 83 CO -0.04 0.03 -0.16 0.00 -1.01 0.00 0.00 177.57 176.40 1k2h h ALA 84 N 1.56 1.00 0.00 3.17 0.00 -1.27 -3.24 119.26 120.48 1k2h h ALA 84 Ca 0.49 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.25 1k2h h ALA 84 Cb 1.62 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 19.36 1k2h h ALA 84 CO -0.11 0.20 -0.34 0.00 0.00 0.00 0.00 179.25 179.00 1k2h n ASN 86 N -0.60 0.00 -4.40 0.00 5.15 0.87 -4.71 115.26 111.56 1k2h n ASN 86 Ca 0.08 -0.01 -0.50 0.00 -0.60 0.00 0.00 54.58 53.55 1k2h n ASN 86 Cb 0.70 0.00 -0.10 0.00 -0.53 0.00 0.00 39.78 39.86 1k2h n ASN 86 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 1k2h n ASN 87 N -0.70 1.35 -0.38 1.20 5.15 -1.26 -4.73 115.26 115.89 1k2h n ASN 87 Ca 0.00 0.36 -0.02 0.00 -0.60 0.00 0.00 54.58 54.32 1k2h n ASN 87 Cb 0.00 -1.11 0.11 0.00 -0.53 0.00 0.00 39.78 38.25 1k2h n ASN 87 CO 0.00 0.00 0.00 0.15 1.40 0.00 0.00 177.26 178.81 1k2h h PHE 88 N 11.94 1.26 0.00 1.20 3.04 -2.00 0.50 116.94 132.88 1k2h h PHE 88 Ca -0.17 0.03 0.00 0.00 3.98 0.00 0.00 57.97 61.81 1k2h h PHE 88 Cb 1.34 -0.43 0.00 0.00 2.56 0.00 0.00 35.95 39.43 1k2h h PHE 88 CO 0.99 0.79 0.00 1.19 -2.02 0.00 0.00 178.31 179.26 1k2h n PHE 89 N -4.39 0.00 0.00 0.41 3.72 -1.26 -4.51 117.46 111.43 1k2h n PHE 89 Ca 0.12 -0.01 0.00 0.00 -0.05 0.00 0.00 57.45 57.51 1k2h n PHE 89 Cb 0.01 -0.07 0.00 0.00 -0.94 0.00 0.00 39.48 38.48 1k2h n PHE 89 CO 0.00 0.00 0.00 -2.67 -0.05 0.00 0.00 176.76 174.04 1k2h n TRP 90 N 0.19 0.00 -2.54 1.38 2.14 0.18 -4.79 117.44 113.99 1k2h n TRP 90 Ca 0.00 0.00 -0.41 0.00 2.07 0.00 0.00 57.50 59.16 1k2h n TRP 90 Cb 0.17 -0.23 -0.04 0.00 -0.81 0.00 0.00 31.31 30.41 1k2h n TRP 90 CO 0.00 0.00 0.00 -1.83 2.07 0.00 0.00 177.69 177.93 1k2h s GLU 91 N 1.74 4.57 0.61 -2.67 -1.05 -1.26 -4.98 118.70 115.65 1k2h s GLU 91 Ca 0.00 1.67 -0.11 0.00 -0.15 0.00 0.00 54.97 56.38 1k2h s GLU 91 Cb 0.00 -3.32 -0.04 0.00 -0.44 0.00 0.00 34.13 30.33 1k2h s GLU 91 CO 0.00 0.01 1.01 0.54 0.95 0.00 0.00 175.26 177.77 1k2h s ASN 92 N 0.27 6.23 0.00 0.83 4.22 -1.26 -5.03 114.94 120.21 1k2h s ASN 92 Ca 0.51 1.39 0.31 0.00 -2.14 0.00 0.00 52.86 52.94 1k2h s ASN 92 Cb -0.28 -2.46 1.77 0.00 1.28 0.00 0.00 41.25 41.57 1k2h s ASN 92 CO 0.32 -0.85 2.15 -0.24 -2.04 0.00 0.00 177.10 176.44