#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 5.94 0.18 1.61 0.01 -1.26 -4.88 113.70 115.30 1k2h s SER 2 Ca 0.00 1.71 -0.13 0.00 1.31 0.00 0.00 55.95 58.84 1k2h s SER 2 Cb 0.00 -2.52 0.09 0.00 0.21 0.00 0.00 66.02 63.80 1k2h s SER 2 CO 0.00 -1.06 1.85 -0.33 0.41 0.00 0.00 173.24 174.11 1k2h h GLU 3 N 0.35 0.77 -0.38 12.44 5.08 -2.06 -1.40 114.58 129.38 1k2h h GLU 3 Ca -0.46 -0.05 -0.16 0.00 -1.00 0.00 0.00 59.36 57.69 1k2h h GLU 3 Cb 1.21 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 30.28 1k2h h GLU 3 CO 0.58 0.51 -0.39 1.25 -1.00 0.00 0.00 179.01 179.97 1k2h h LEU 4 N 0.80 1.01 -1.00 1.33 7.12 -2.01 -3.08 115.31 119.47 1k2h h LEU 4 Ca 0.21 -0.47 0.01 0.00 0.13 0.00 0.00 57.88 57.77 1k2h h LEU 4 Cb -0.09 -0.28 -0.05 0.00 -0.53 0.00 0.00 40.66 39.71 1k2h h LEU 4 CO -0.05 1.27 0.67 -0.08 -0.13 0.00 0.00 178.44 180.12 1k2h h GLU 5 N 0.76 1.32 -0.98 1.25 4.57 -1.84 -1.75 114.58 117.91 1k2h h GLU 5 Ca 0.06 -0.08 0.01 0.00 -1.18 0.00 0.00 59.36 58.17 1k2h h GLU 5 Cb 0.99 -0.30 -0.05 0.00 -0.16 0.00 0.00 28.75 29.23 1k2h h GLU 5 CO 0.10 0.87 0.65 1.15 -1.18 0.00 0.00 179.01 180.59 1k2h h THR 6 N 1.36 1.25 -0.32 0.32 2.02 -1.18 -1.82 112.91 114.53 1k2h h THR 6 Ca 0.37 -0.46 -0.12 0.00 0.77 0.00 0.00 66.41 66.97 1k2h h THR 6 Cb -0.15 -0.19 -0.01 0.00 -1.74 0.00 0.00 68.15 66.06 1k2h h THR 6 CO -0.08 0.24 -0.29 0.00 0.37 0.00 0.00 175.52 175.76 1k2h h ALA 7 N 1.36 0.89 -1.00 6.16 0.00 -1.36 -2.95 119.26 122.35 1k2h h ALA 7 Ca 0.36 -0.39 0.01 0.00 0.00 0.00 0.00 54.91 54.89 1k2h h ALA 7 Cb -0.15 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 17.46 1k2h h ALA 7 CO -0.08 0.62 0.66 1.98 0.00 0.00 0.00 179.25 182.44 1k2h h MET 8 N 0.57 1.32 -1.01 0.00 -1.53 -0.51 -1.61 114.93 112.16 1k2h h MET 8 Ca 0.07 -0.08 0.01 0.00 -3.44 0.00 0.00 59.70 56.26 1k2h h MET 8 Cb 0.78 -0.30 -0.05 0.00 -0.55 0.00 0.00 31.60 31.49 1k2h h MET 8 CO 0.06 0.87 0.67 1.49 0.14 0.00 0.00 176.91 180.14 1k2h h GLU 9 N 1.35 1.32 -0.98 0.39 4.22 -1.27 -1.89 114.58 117.73 1k2h h GLU 9 Ca 0.37 -0.08 0.01 0.00 0.08 0.00 0.00 59.36 59.74 1k2h h GLU 9 Cb -0.16 -0.30 -0.05 0.00 0.50 0.00 0.00 28.75 28.75 1k2h h GLU 9 CO -0.08 0.88 0.65 1.15 -2.18 0.00 0.00 179.01 179.43 1k2h h THR 10 N 1.36 1.25 -1.01 0.32 2.02 -1.26 -2.26 112.91 113.33 1k2h h THR 10 Ca 0.37 -0.46 0.01 0.00 0.77 0.00 0.00 66.41 67.11 1k2h h THR 10 Cb -0.15 -0.20 -0.05 0.00 -1.74 0.00 0.00 68.15 66.01 1k2h h THR 10 CO -0.08 0.24 0.67 -0.07 0.37 0.00 0.00 175.52 176.65 1k2h h LEU 11 N 1.33 1.15 -0.87 2.58 3.38 -1.04 -1.87 115.31 119.97 1k2h h LEU 11 Ca 0.36 -0.03 0.01 0.00 0.09 0.00 0.00 57.88 58.31 1k2h h LEU 11 Cb -0.15 -0.29 -0.04 0.00 0.09 0.00 0.00 40.66 40.28 1k2h h LEU 11 CO -0.08 0.83 0.58 0.40 0.09 0.00 0.00 178.44 180.26 1k2h h ILE 12 N 1.36 1.23 -0.88 1.22 2.04 -1.29 -2.48 117.51 118.71 1k2h h ILE 12 Ca 0.37 -0.41 -0.02 0.00 1.00 0.00 0.00 64.86 65.80 1k2h h ILE 12 Cb -0.15 -0.06 -0.04 0.00 -0.74 0.00 0.00 36.82 35.83 1k2h h ILE 12 CO -0.08 0.22 0.45 0.78 0.00 0.00 0.00 178.15 179.52 1k2h h ASN 13 N 1.19 1.13 -0.36 1.72 -0.26 -1.21 -3.03 115.58 114.75 1k2h h ASN 13 Ca 0.32 -0.12 -0.17 0.00 -0.56 0.00 0.00 56.30 55.77 1k2h h ASN 13 Cb -0.14 -0.29 -0.00 0.00 -1.06 0.00 0.00 38.32 36.83 1k2h h ASN 13 CO -0.07 0.93 -0.42 0.58 -1.06 0.00 0.00 177.43 177.39 1k2h h VAL 14 N 1.25 1.27 -0.87 2.81 2.07 -1.05 -2.93 116.25 118.80 1k2h h VAL 14 Ca 0.31 -1.60 0.13 0.00 0.82 0.00 0.00 66.70 66.36 1k2h h VAL 14 Cb 0.07 1.43 -0.07 0.00 -1.52 0.00 0.00 31.29 31.20 1k2h h VAL 14 CO -0.04 0.53 0.57 -0.26 0.02 0.00 0.00 177.57 178.38 1k2h h PHE 15 N 0.75 0.82 -0.98 1.57 0.04 -1.35 0.11 116.94 117.89 1k2h h PHE 15 Ca 0.05 0.02 0.01 0.00 2.80 0.00 0.00 57.97 60.85 1k2h h PHE 15 Cb 1.02 -0.26 -0.05 0.00 2.20 0.00 0.00 35.95 38.86 1k2h h PHE 15 CO 0.07 0.32 0.64 1.25 -0.60 0.00 0.00 178.31 179.99 1k2h h HIS 16 N 0.71 1.24 0.27 -0.55 2.76 -1.46 0.26 115.15 118.38 1k2h h HIS 16 Ca 0.43 0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 58.62 1k2h h HIS 16 Cb 0.66 -0.42 -0.01 0.00 1.55 0.00 0.00 27.41 29.19 1k2h h HIS 16 CO -0.00 0.78 -0.18 0.00 -1.30 0.00 0.00 177.93 177.23 1k2h h ALA 17 N 1.38 -0.44 -0.07 5.26 0.00 -0.75 2.22 119.26 126.87 1k2h h ALA 17 Ca 0.36 -0.08 -0.23 0.00 0.00 0.00 0.00 54.91 54.96 1k2h h ALA 17 Cb -0.15 0.23 0.01 0.00 0.00 0.00 0.00 17.79 17.89 1k2h h ALA 17 CO -0.08 -0.76 -0.85 0.45 0.00 0.00 0.00 179.25 178.02 1k2h h HIS 18 N -0.45 0.99 -0.01 0.00 3.86 -1.49 -3.24 115.15 114.80 1k2h h HIS 18 Ca -0.02 -0.49 0.00 0.00 -1.16 0.00 0.00 60.37 58.70 1k2h h HIS 18 Cb 0.38 -0.13 0.00 0.00 1.06 0.00 0.00 27.41 28.72 1k2h h HIS 18 CO -0.10 1.32 -0.05 0.43 0.86 0.00 0.00 177.93 180.38 1k2h n SER 19 N -3.96 1.35 -0.35 2.45 7.64 0.07 -4.27 113.62 116.54 1k2h n SER 19 Ca -0.09 -1.35 0.00 0.00 1.01 0.00 0.00 58.87 58.44 1k2h n SER 19 Cb 0.78 0.02 0.00 0.00 -1.01 0.00 0.00 64.21 64.01 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 1.20 0.16 0.00 0.23 0.00 0.75 -3.23 105.19 104.31 1k2h n GLY 20 Ca 0.18 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.27 1k2h n GLY 20 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1k2h n LYS 21 N 0.12 0.53 0.00 1.61 5.02 -1.26 -4.79 118.16 119.39 1k2h n LYS 21 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1k2h n LYS 21 Cb 0.04 -1.41 0.00 0.00 -0.02 0.00 0.00 35.03 33.64 1k2h n LYS 21 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1k2h n GLU 22 N -0.91 0.00 0.00 1.97 -0.58 -1.20 -4.58 120.64 115.34 1k2h n GLU 22 Ca 0.10 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.84 1k2h n GLU 22 Cb 0.05 -2.04 0.00 0.00 -0.57 0.00 0.00 31.44 28.88 1k2h n GLU 22 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1k2h n GLY 23 N -0.44 -0.25 2.95 0.62 0.00 -1.26 -4.34 105.19 102.46 1k2h n GLY 23 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1k2h n GLY 23 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1k2h n ASP 24 N -1.82 5.02 0.26 1.61 5.75 -1.26 -4.73 116.55 121.38 1k2h n ASP 24 Ca 0.00 -3.07 0.08 0.00 -0.01 0.00 0.00 54.79 51.79 1k2h n ASP 24 Cb 0.00 -1.51 0.64 0.00 -1.03 0.00 0.00 41.12 39.23 1k2h n ASP 24 CO 0.00 0.00 0.00 0.50 -0.11 0.00 0.00 177.20 177.59 1k2h h LYS 25 N 5.97 0.00 0.00 0.11 3.64 -1.76 -3.42 116.57 121.11 1k2h h LYS 25 Ca 0.40 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.71 1k2h h LYS 25 Cb 0.67 0.00 0.04 0.00 -0.41 0.00 0.00 32.23 32.52 1k2h h LYS 25 CO 1.59 0.00 -0.03 0.66 -2.27 0.00 0.00 179.45 179.40 1k2h n TYR 26 N -4.52 -1.86 0.00 1.91 4.01 -1.26 -4.81 117.16 110.63 1k2h n TYR 26 Ca -0.03 -0.10 0.00 0.00 -0.16 0.00 0.00 57.90 57.61 1k2h n TYR 26 Cb 0.09 -0.31 0.00 0.00 -0.31 0.00 0.00 39.34 38.81 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 -1.94 0.00 -3.90 -0.72 3.00 -0.99 -4.69 118.16 108.92 1k2h n LYS 27 Ca 0.02 0.00 0.01 0.00 -0.00 0.00 0.00 58.31 58.35 1k2h n LYS 27 Cb 0.11 -0.80 0.01 0.00 0.00 0.00 0.00 35.03 34.34 1k2h n LYS 27 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.40 176.23 1k2h s LEU 28 N -0.96 -0.01 0.52 3.14 1.98 -1.23 -4.59 118.68 117.54 1k2h s LEU 28 Ca 0.00 -0.28 -0.20 0.00 -2.89 0.00 0.00 54.13 50.76 1k2h s LEU 28 Cb 0.00 1.47 -0.06 0.00 0.66 0.00 0.00 46.19 48.26 1k2h s LEU 28 CO 0.00 -0.42 1.13 -0.55 -1.89 0.00 0.00 176.35 174.62 1k2h s SER 29 N -3.59 5.84 0.28 3.68 0.15 -1.26 -2.08 113.70 116.72 1k2h s SER 29 Ca 0.25 2.19 0.01 0.00 0.70 0.00 0.00 55.95 59.10 1k2h s SER 29 Cb 0.00 -2.58 0.55 0.00 -1.71 0.00 0.00 66.02 62.28 1k2h s SER 29 CO -0.00 -1.14 1.83 0.11 1.20 0.00 0.00 173.24 175.24 1k2h h LYS 30 N 1.38 0.95 0.14 5.44 1.57 -1.50 0.54 116.57 125.09 1k2h h LYS 30 Ca -0.50 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.22 1k2h h LYS 30 Cb 1.26 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 33.35 1k2h h LYS 30 CO 0.58 0.63 -0.07 -0.22 -0.57 0.00 0.00 179.45 179.80 1k2h h LYS 31 N 0.98 -0.18 -0.62 3.15 1.63 -0.11 -2.51 116.57 118.91 1k2h h LYS 31 Ca 0.50 0.01 -0.09 0.00 -0.85 0.00 0.00 60.65 60.22 1k2h h LYS 31 Cb 0.50 0.04 -0.02 0.00 -0.60 0.00 0.00 32.23 32.15 1k2h h LYS 31 CO -0.27 -0.03 0.02 1.49 -3.45 0.00 0.00 179.45 177.21 1k2h h GLU 32 N -0.28 1.09 -0.96 1.90 4.57 -1.64 -2.42 114.58 116.83 1k2h h GLU 32 Ca -0.02 -0.34 0.29 0.00 -1.18 0.00 0.00 59.36 58.12 1k2h h GLU 32 Cb 0.22 -0.10 -0.15 0.00 -0.16 0.00 0.00 28.75 28.56 1k2h h GLU 32 CO 0.03 1.05 0.45 1.25 -1.18 0.00 0.00 179.01 180.61 1k2h h LEU 33 N 1.00 0.33 -1.00 1.64 6.46 0.33 1.44 115.31 125.50 1k2h h LEU 33 Ca 0.18 0.20 0.01 0.00 -0.12 0.00 0.00 57.88 58.15 1k2h h LEU 33 Cb 0.54 0.19 -0.05 0.00 -0.73 0.00 0.00 40.66 40.61 1k2h h LEU 33 CO 0.03 -0.15 0.66 0.50 -0.62 0.00 0.00 178.44 178.86 1k2h h LYS 34 N 0.28 1.32 -0.42 1.25 1.63 -1.00 0.03 116.57 119.66 1k2h h LYS 34 Ca 0.68 -0.08 0.02 0.00 -0.85 0.00 0.00 60.65 60.41 1k2h h LYS 34 Cb 1.49 -0.30 -0.02 0.00 -0.60 0.00 0.00 32.23 32.80 1k2h h LYS 34 CO -0.63 0.88 0.28 0.22 -3.45 0.00 0.00 179.45 176.75 1k2h h ASP 35 N 1.36 0.45 0.22 4.20 1.82 0.20 -2.14 116.42 122.54 1k2h h ASP 35 Ca 0.37 -0.01 -0.01 0.00 -0.39 0.00 0.00 57.03 56.99 1k2h h ASP 35 Cb -0.16 -0.11 0.00 0.00 0.68 0.00 0.00 39.33 39.75 1k2h h ASP 35 CO -0.08 0.32 -0.11 -0.07 -1.61 0.00 0.00 179.24 177.69 1k2h h LEU 36 N 0.53 -0.25 -0.26 2.28 4.07 -0.44 -2.68 115.31 118.56 1k2h h LEU 36 Ca 0.16 -0.24 0.00 0.00 0.08 0.00 0.00 57.88 57.88 1k2h h LEU 36 Cb 0.01 0.07 -0.01 0.00 1.08 0.00 0.00 40.66 41.80 1k2h h LEU 36 CO -0.04 0.26 0.17 -0.07 -1.08 0.00 0.00 178.44 177.68 1k2h h LEU 37 N -0.94 0.29 -1.14 1.67 3.38 -1.28 -1.52 115.31 115.78 1k2h h LEU 37 Ca -0.03 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1k2h h LEU 37 Cb 0.48 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.16 1k2h h LEU 37 CO 0.05 0.21 0.00 -0.61 0.09 0.00 0.00 178.44 178.18 1k2h h GLN 38 N 0.35 0.00 0.15 1.13 4.15 -1.53 -1.75 115.11 117.61 1k2h h GLN 38 Ca 0.09 0.00 -0.30 0.00 0.77 0.00 0.00 58.65 59.21 1k2h h GLN 38 Cb -0.04 0.00 0.01 0.00 0.21 0.00 0.00 27.48 27.66 1k2h h GLN 38 CO -0.02 0.00 -1.40 1.15 -1.93 0.00 0.00 178.83 176.63 1k2h h THR 39 N 0.00 1.32 -0.00 2.39 2.02 -0.94 -3.28 112.91 114.42 1k2h h THR 39 Ca 0.00 -2.89 0.00 0.00 0.77 0.00 0.00 66.41 64.29 1k2h h THR 39 Cb 0.41 2.89 0.00 0.00 -1.74 0.00 0.00 68.15 69.71 1k2h h THR 39 CO 0.00 0.85 -0.30 -1.84 0.37 0.00 0.00 175.52 174.60 1k2h n GLU 40 N -3.54 0.53 -0.86 6.66 0.28 -0.81 -3.85 120.64 119.04 1k2h n GLU 40 Ca -0.13 -0.29 -0.06 0.00 -0.16 0.00 0.00 57.16 56.51 1k2h n GLU 40 Cb 1.05 -1.49 0.20 0.00 1.43 0.00 0.00 31.44 32.62 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 -0.98 4.39 -0.33 -1.84 4.77 -0.68 -4.72 117.00 117.60 1k2h n LEU 41 Ca 0.10 -3.78 -0.03 0.00 -0.03 0.00 0.00 56.01 52.27 1k2h n LEU 41 Cb 0.33 -0.66 0.09 0.00 -2.33 0.00 0.00 43.42 40.86 1k2h n LEU 41 CO 0.28 1.26 1.25 0.28 -1.33 0.00 0.00 177.39 179.14 1k2h h SER 42 N 1.00 1.03 0.30 -1.43 0.02 -1.67 -0.48 113.55 112.32 1k2h h SER 42 Ca 0.27 -0.03 -0.22 0.00 -0.84 0.00 0.00 61.79 60.97 1k2h h SER 42 Cb 1.78 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 64.06 1k2h h SER 42 CO 0.46 0.75 -0.90 0.77 -1.14 0.00 0.00 176.83 176.77 1k2h h SER 43 N 1.22 0.54 -0.93 3.07 4.64 -1.92 -2.94 113.55 117.23 1k2h h SER 43 Ca 0.33 -0.42 0.00 0.00 -0.47 0.00 0.00 61.79 61.23 1k2h h SER 43 Cb -0.14 -0.16 -0.05 0.00 -0.31 0.00 0.00 62.40 61.74 1k2h h SER 43 CO -0.07 1.21 0.59 -0.26 -0.87 0.00 0.00 176.83 177.43 1k2h h PHE 44 N 0.25 1.20 0.00 4.77 -1.00 -1.73 0.50 116.94 120.93 1k2h h PHE 44 Ca -0.07 0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.72 1k2h h PHE 44 Cb 1.52 -0.40 0.00 0.00 3.61 0.00 0.00 35.95 40.68 1k2h h PHE 44 CO 0.06 0.78 0.00 1.28 -1.61 0.00 0.00 178.31 178.81 1k2h n LEU 45 N -4.37 0.00 -0.38 1.54 4.32 -0.23 -2.74 117.00 115.13 1k2h n LEU 45 Ca 0.11 0.00 -0.02 0.00 -0.02 0.00 0.00 56.01 56.08 1k2h n LEU 45 Cb 0.04 0.00 0.11 0.00 -1.62 0.00 0.00 43.42 41.95 1k2h n LEU 45 CO 0.37 0.00 1.30 0.44 -1.22 0.00 0.00 177.39 178.28 1k2h h ASP 46 N 0.00 1.16 -2.94 -1.43 3.32 -0.04 -3.38 116.42 113.12 1k2h h ASP 46 Ca 0.00 -0.03 -0.55 0.00 0.02 0.00 0.00 57.03 56.46 1k2h h ASP 46 Cb 0.00 -0.29 -0.40 0.00 0.22 0.00 0.00 39.33 38.86 1k2h h ASP 46 CO 0.00 0.84 -0.77 0.68 -1.72 0.00 0.00 179.24 178.27 1k2h s VAL 47 N -6.12 0.35 -0.19 -1.35 -7.23 -1.11 -5.09 120.40 99.66 1k2h s VAL 47 Ca -0.13 -1.10 -0.29 0.00 -1.81 0.00 0.00 61.98 58.65 1k2h s VAL 47 Cb 0.18 -1.28 -0.04 0.00 0.56 0.00 0.00 36.38 35.80 1k2h s VAL 47 CO 0.82 -0.72 1.72 -1.58 -0.31 0.00 0.00 175.10 175.03 1k2h s GLN 48 N 1.82 3.76 0.00 4.82 0.74 -1.26 -4.43 119.66 125.12 1k2h s GLN 48 Ca 0.10 1.82 0.00 0.00 0.05 0.00 0.00 55.36 57.33 1k2h s GLN 48 Cb -0.17 -4.09 0.00 0.00 1.10 0.00 0.00 33.01 29.85 1k2h s GLN 48 CO -0.30 -1.34 0.00 1.63 -0.55 0.00 0.00 175.29 174.73 1k2h n LYS 49 N 7.76 0.00 -3.30 1.67 4.76 0.87 -4.84 118.16 125.09 1k2h n LYS 49 Ca 0.20 0.10 -0.44 0.00 -2.87 0.00 0.00 58.31 55.30 1k2h n LYS 49 Cb 0.45 -0.46 -0.07 0.00 -1.84 0.00 0.00 35.03 33.11 1k2h n LYS 49 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 1k2h s ASP 50 N -2.30 6.18 0.33 4.39 -1.08 -0.75 -4.88 116.67 118.55 1k2h s ASP 50 Ca 0.00 -1.28 0.26 0.00 -0.52 0.00 0.00 52.55 51.02 1k2h s ASP 50 Cb 0.00 -2.22 0.90 0.00 -1.46 0.00 0.00 42.92 40.13 1k2h s ASP 50 CO 0.00 -0.77 1.77 0.00 0.52 0.00 0.00 175.17 176.69 1k2h h ALA 51 N 8.87 1.00 -0.32 3.66 0.00 -1.88 -3.03 119.26 127.56 1k2h h ALA 51 Ca -0.28 0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.45 1k2h h ALA 51 Cb 1.10 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.89 1k2h h ALA 51 CO 0.94 0.00 -0.48 0.22 0.00 0.00 0.00 179.25 179.93 1k2h h ASP 52 N 0.00 0.96 0.07 0.00 1.82 -1.96 -0.76 116.42 116.54 1k2h h ASP 52 Ca 0.00 -0.48 -0.00 0.00 -0.39 0.00 0.00 57.03 56.16 1k2h h ASP 52 Cb 0.62 -0.27 0.00 0.00 0.68 0.00 0.00 39.33 40.36 1k2h h ASP 52 CO 0.00 1.27 -0.03 0.00 -1.61 0.00 0.00 179.24 178.87 1k2h h ALA 53 N 0.76 -0.09 -0.69 -0.78 0.00 -1.89 -1.94 119.26 114.63 1k2h h ALA 53 Ca 0.03 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.78 1k2h h ALA 53 Cb 1.08 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.87 1k2h h ALA 53 CO 0.11 -0.38 0.46 0.28 0.00 0.00 0.00 179.25 179.72 1k2h h VAL 54 N -0.44 1.17 -1.00 0.00 2.07 -1.59 -1.73 116.25 114.72 1k2h h VAL 54 Ca -0.01 -0.32 0.01 0.00 0.82 0.00 0.00 66.70 67.20 1k2h h VAL 54 Cb 0.38 0.17 -0.05 0.00 -1.52 0.00 0.00 31.29 30.27 1k2h h VAL 54 CO 0.02 0.17 0.66 -0.78 0.02 0.00 0.00 177.57 177.66 1k2h h ASP 55 N 0.92 1.15 -0.45 0.57 1.82 -0.87 -2.17 116.42 117.40 1k2h h ASP 55 Ca 0.25 -0.03 -0.11 0.00 -0.39 0.00 0.00 57.03 56.75 1k2h h ASP 55 Cb -0.10 -0.29 -0.02 0.00 0.68 0.00 0.00 39.33 39.61 1k2h h ASP 55 CO -0.06 0.83 -0.13 0.11 -1.61 0.00 0.00 179.24 178.38 1k2h h LYS 56 N 1.36 0.93 -1.00 0.28 1.57 -0.53 -2.75 116.57 116.41 1k2h h LYS 56 Ca 0.37 -0.34 0.01 0.00 -1.87 0.00 0.00 60.65 58.82 1k2h h LYS 56 Cb -0.16 -0.06 -0.05 0.00 0.08 0.00 0.00 32.23 32.04 1k2h h LYS 56 CO -0.08 1.00 0.67 0.82 -0.57 0.00 0.00 179.45 181.28 1k2h h ILE 57 N 0.82 1.26 -0.30 1.86 2.04 -1.05 -0.85 117.51 121.30 1k2h h ILE 57 Ca 0.13 -0.47 -0.05 0.00 1.00 0.00 0.00 64.86 65.47 1k2h h ILE 57 Cb 0.67 -0.22 -0.02 0.00 -0.74 0.00 0.00 36.82 36.51 1k2h h ILE 57 CO 0.05 0.25 -0.01 0.24 0.00 0.00 0.00 178.15 178.67 1k2h h MET 58 N 1.36 0.45 -0.78 2.37 2.86 -1.14 -2.80 114.93 117.25 1k2h h MET 58 Ca 0.37 -0.09 -0.00 0.00 -2.06 0.00 0.00 59.70 57.91 1k2h h MET 58 Cb -0.16 -0.07 -0.04 0.00 0.06 0.00 0.00 31.60 31.40 1k2h h MET 58 CO -0.08 0.49 0.47 0.87 1.06 0.00 0.00 176.91 179.72 1k2h h LYS 59 N 0.44 1.06 -0.97 1.72 1.57 -0.89 -2.26 116.57 117.23 1k2h h LYS 59 Ca 0.10 -0.10 0.01 0.00 -1.87 0.00 0.00 60.65 58.79 1k2h h LYS 59 Cb 0.31 -0.22 -0.05 0.00 0.08 0.00 0.00 32.23 32.35 1k2h h LYS 59 CO 0.01 0.75 0.64 0.93 -0.57 0.00 0.00 179.45 181.21 1k2h h GLU 60 N 1.06 1.29 0.00 3.15 4.39 -1.37 0.31 114.58 123.41 1k2h h GLU 60 Ca 0.28 -0.08 -0.03 0.00 0.34 0.00 0.00 59.36 59.86 1k2h h GLU 60 Cb -0.04 -0.29 -0.00 0.00 -0.10 0.00 0.00 28.75 28.32 1k2h h GLU 60 CO -0.05 0.86 -0.17 -0.07 -1.16 0.00 0.00 179.01 178.42 1k2h h LEU 61 N 1.32 0.00 0.00 1.33 3.38 -1.47 -1.92 115.31 117.95 1k2h h LEU 61 Ca 0.36 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 58.13 1k2h h LEU 61 Cb -0.14 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.58 1k2h h LEU 61 CO -0.08 0.17 -0.93 -0.78 0.09 0.00 0.00 178.44 176.91 1k2h h ASP 62 N 0.00 0.00 -0.86 -0.43 1.82 -0.44 1.26 116.42 117.78 1k2h h ASP 62 Ca -0.00 0.00 0.01 0.00 -0.39 0.00 0.00 57.03 56.65 1k2h h ASP 62 Cb 0.45 0.00 -0.04 0.00 0.68 0.00 0.00 39.33 40.41 1k2h h ASP 62 CO 0.02 0.91 0.57 -0.33 -1.61 0.00 0.00 179.24 178.80 1k2h h GLU 63 N 0.00 1.13 -0.21 0.28 5.08 -0.30 -3.39 114.58 117.16 1k2h h GLU 63 Ca -0.01 -0.07 -0.11 0.00 -1.00 0.00 0.00 59.36 58.17 1k2h h GLU 63 Cb 1.71 -0.25 -0.14 0.00 0.50 0.00 0.00 28.75 30.56 1k2h h GLU 63 CO 0.12 0.75 -0.26 -1.71 -1.00 0.00 0.00 179.01 176.90 1k2h n ASN 64 N -4.49 -2.16 0.00 1.42 5.15 -1.17 -4.99 115.26 109.02 1k2h n ASN 64 Ca 0.09 -2.23 0.23 0.00 -0.60 0.00 0.00 54.58 52.07 1k2h n ASN 64 Cb 0.01 1.21 0.67 0.00 -0.53 0.00 0.00 39.78 41.15 1k2h n ASN 64 CO 0.00 0.00 0.00 1.23 1.40 0.00 0.00 177.26 179.89 1k2h h GLY 65 N 3.93 0.00 -0.10 8.20 0.00 0.14 1.73 103.07 116.97 1k2h h GLY 65 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.22 1k2h h GLY 65 CO 0.01 0.00 0.00 1.22 0.00 0.00 0.00 176.54 177.77 1k2h n ASP 66 N -3.59 1.12 -3.84 0.19 8.00 -1.26 0.61 116.55 117.77 1k2h n ASP 66 Ca 0.12 -1.38 0.00 0.00 0.71 0.00 0.00 54.79 54.24 1k2h n ASP 66 Cb 0.86 -0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.96 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 1.13 -2.57 3.18 0.44 0.00 0.59 -4.71 105.19 103.24 1k2h n GLY 67 Ca 0.20 -1.12 -0.11 0.00 0.00 0.00 0.00 46.02 44.99 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 0.64 0.13 1.61 2.12 -1.26 -3.29 118.70 118.65 1k2h s GLU 68 Ca 0.00 -0.49 0.03 0.00 0.36 0.00 0.00 54.97 54.87 1k2h s GLU 68 Cb 0.00 0.27 -0.04 0.00 0.26 0.00 0.00 34.13 34.62 1k2h s GLU 68 CO 0.00 -0.18 -0.08 0.14 -0.54 0.00 0.00 175.26 174.60 1k2h s VAL 69 N -2.05 0.92 0.00 3.70 -7.23 -0.88 -4.75 120.40 110.11 1k2h s VAL 69 Ca -0.09 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.08 1k2h s VAL 69 Cb -0.03 -1.80 0.00 0.00 0.56 0.00 0.00 36.38 35.11 1k2h s VAL 69 CO -0.01 -0.78 0.00 0.47 -0.31 0.00 0.00 175.10 174.47 1k2h n ASP 70 N -0.13 1.19 -0.15 4.85 8.00 -1.26 -2.34 116.55 126.71 1k2h n ASP 70 Ca -0.11 -0.01 -0.08 0.00 0.71 0.00 0.00 54.79 55.30 1k2h n ASP 70 Cb 0.61 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.71 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 0.01 0.61 -0.05 1.24 -0.00 -1.98 0.11 116.94 116.89 1k2h h PHE 71 Ca 0.00 -0.02 -0.12 0.00 -0.00 0.00 0.00 57.97 57.83 1k2h h PHE 71 Cb 0.00 -0.19 -0.01 0.00 -0.00 0.00 0.00 35.95 35.74 1k2h h PHE 71 CO 0.00 0.48 -0.53 0.37 -0.00 0.00 0.00 178.31 178.62 1k2h h GLN 72 N 0.57 0.14 0.04 6.09 4.15 -1.98 -1.15 115.11 122.96 1k2h h GLN 72 Ca 0.15 -0.08 -0.24 0.00 0.77 0.00 0.00 58.65 59.25 1k2h h GLN 72 Cb 0.08 0.01 0.00 0.00 0.21 0.00 0.00 27.48 27.78 1k2h h GLN 72 CO -0.02 0.64 -1.02 0.93 -1.93 0.00 0.00 178.83 177.42 1k2h h GLU 73 N 0.11 0.38 -0.36 1.69 5.08 -1.88 -1.75 114.58 117.85 1k2h h GLU 73 Ca -0.00 -0.46 -0.16 0.00 -1.00 0.00 0.00 59.36 57.74 1k2h h GLU 73 Cb 0.98 0.14 -0.01 0.00 0.50 0.00 0.00 28.75 30.36 1k2h h GLU 73 CO 0.08 1.14 -0.41 0.35 -1.00 0.00 0.00 179.01 179.17 1k2h h PHE 74 N 0.19 1.07 -0.10 4.33 3.04 -0.68 -2.20 116.94 122.59 1k2h h PHE 74 Ca -0.10 -0.33 -0.19 0.00 3.98 0.00 0.00 57.97 61.34 1k2h h PHE 74 Cb 1.68 -0.22 0.01 0.00 2.56 0.00 0.00 35.95 39.97 1k2h h PHE 74 CO 0.06 1.14 -0.66 0.28 -2.02 0.00 0.00 178.31 177.12 1k2h h VAL 75 N 0.72 1.33 -0.32 1.41 2.07 -1.22 -1.92 116.25 118.32 1k2h h VAL 75 Ca 0.05 -1.94 -0.15 0.00 0.82 0.00 0.00 66.70 65.48 1k2h h VAL 75 Cb 1.00 2.16 -0.00 0.00 -1.52 0.00 0.00 31.29 32.93 1k2h h VAL 75 CO 0.10 0.59 -0.40 0.58 0.02 0.00 0.00 177.57 178.46 1k2h h VAL 76 N 0.28 1.28 -0.02 2.57 2.07 -1.35 -2.33 116.25 118.75 1k2h h VAL 76 Ca -0.05 -1.58 -0.17 0.00 0.82 0.00 0.00 66.70 65.72 1k2h h VAL 76 Cb 1.30 1.53 -0.01 0.00 -1.52 0.00 0.00 31.29 32.59 1k2h h VAL 76 CO 0.14 0.52 -0.76 0.25 0.02 0.00 0.00 177.57 177.73 1k2h h LEU 77 N 0.63 0.22 -0.37 2.57 5.85 -1.48 -2.75 115.31 119.98 1k2h h LEU 77 Ca 0.04 -0.15 -0.16 0.00 0.84 0.00 0.00 57.88 58.45 1k2h h LEU 77 Cb 0.99 -0.07 -0.00 0.00 0.37 0.00 0.00 40.66 41.95 1k2h h LEU 77 CO 0.10 0.89 -0.40 0.58 -0.34 0.00 0.00 178.44 179.27 1k2h h VAL 78 N 0.11 1.27 -0.79 1.05 2.07 -1.30 -1.53 116.25 117.14 1k2h h VAL 78 Ca -0.02 -1.58 -0.05 0.00 0.82 0.00 0.00 66.70 65.87 1k2h h VAL 78 Cb 1.33 1.43 -0.03 0.00 -1.52 0.00 0.00 31.29 32.50 1k2h h VAL 78 CO 0.11 0.53 0.31 0.00 0.02 0.00 0.00 177.57 178.54 1k2h h ALA 79 N 0.75 1.05 -0.61 1.67 0.00 -1.42 -1.62 119.26 119.08 1k2h h ALA 79 Ca 0.05 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 1k2h h ALA 79 Cb 1.00 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.45 1k2h h ALA 79 CO 0.10 0.67 0.36 0.00 0.00 0.00 0.00 179.25 180.38 1k2h h ALA 80 N 1.17 1.48 -0.29 0.00 0.00 -1.22 -1.98 119.26 118.42 1k2h h ALA 80 Ca 0.26 -0.08 -0.15 0.00 0.00 0.00 0.00 54.91 54.94 1k2h h ALA 80 Cb 0.23 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1k2h h ALA 80 CO -0.02 0.45 -0.43 1.25 0.00 0.00 0.00 179.25 180.50 1k2h h LEU 81 N 0.85 0.78 -1.00 0.00 6.46 -0.37 -3.03 115.31 119.00 1k2h h LEU 81 Ca 0.22 -0.37 0.01 0.00 -0.12 0.00 0.00 57.88 57.62 1k2h h LEU 81 Cb -0.02 -0.22 -0.05 0.00 -0.73 0.00 0.00 40.66 39.64 1k2h h LEU 81 CO -0.04 1.10 0.67 0.74 -0.62 0.00 0.00 178.44 180.29 1k2h h THR 82 N 0.59 1.26 -0.32 1.05 2.02 -0.63 -1.29 112.91 115.58 1k2h h THR 82 Ca 0.04 -0.47 0.04 0.00 0.77 0.00 0.00 66.41 66.80 1k2h h THR 82 Cb 0.98 -0.22 -0.02 0.00 -1.74 0.00 0.00 68.15 67.15 1k2h h THR 82 CO 0.09 0.25 0.22 1.62 0.37 0.00 0.00 175.52 178.07 1k2h h VAL 83 N 1.36 0.97 0.00 3.16 3.04 -1.32 0.96 116.25 124.42 1k2h h VAL 83 Ca 0.37 -0.08 -0.04 0.00 -1.01 0.00 0.00 66.70 65.93 1k2h h VAL 83 Cb -0.16 0.70 -0.01 0.00 -2.01 0.00 0.00 31.29 29.82 1k2h h VAL 83 CO -0.08 0.05 -0.19 0.00 -1.01 0.00 0.00 177.57 176.33 1k2h h ALA 84 N 1.82 1.10 -0.77 3.17 0.00 -1.24 -3.31 119.26 120.03 1k2h h ALA 84 Ca 0.14 -0.18 -0.33 0.00 0.00 0.00 0.00 54.91 54.55 1k2h h ALA 84 Cb 0.25 -0.03 -0.30 0.00 0.00 0.00 0.00 17.79 17.70 1k2h h ALA 84 CO -0.03 0.24 -0.88 0.00 0.00 0.00 0.00 179.25 178.58 1k2h n ASN 86 N -0.12 1.99 -4.61 0.00 6.94 0.31 -4.63 115.26 115.15 1k2h n ASN 86 Ca 0.08 -1.76 -0.64 0.00 -0.02 0.00 0.00 54.58 52.23 1k2h n ASN 86 Cb 0.79 -0.50 -0.10 0.00 -2.36 0.00 0.00 39.78 37.61 1k2h n ASN 86 CO 0.00 0.00 0.00 -0.46 -1.03 0.00 0.00 177.26 175.77 1k2h n ASN 87 N 2.49 1.23 -0.04 0.53 2.04 -1.26 -4.84 115.26 115.41 1k2h n ASN 87 Ca 0.11 1.02 -0.06 0.00 -0.44 0.00 0.00 54.58 55.21 1k2h n ASN 87 Cb 0.30 -0.92 -0.02 0.00 -2.53 0.00 0.00 39.78 36.60 1k2h n ASN 87 CO 0.00 0.00 0.00 0.33 -0.44 0.00 0.00 177.26 177.15 1k2h n PHE 88 N 5.23 0.00 0.65 -2.53 -0.00 -1.26 -4.68 117.46 114.88 1k2h n PHE 88 Ca 0.37 0.00 0.12 0.00 -0.00 0.00 0.00 57.45 57.95 1k2h n PHE 88 Cb -0.03 -0.32 0.27 0.00 -0.00 0.00 0.00 39.48 39.40 1k2h n PHE 88 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.76 177.10 1k2h n PHE 89 N -4.11 0.57 -1.25 -5.13 -0.00 -1.26 -3.88 117.46 102.41 1k2h n PHE 89 Ca -0.09 0.17 -0.30 0.00 -0.00 0.00 0.00 57.45 57.23 1k2h n PHE 89 Cb 0.33 -0.69 0.06 0.00 -0.00 0.00 0.00 39.48 39.18 1k2h n PHE 89 CO 0.00 0.00 0.00 0.91 -0.00 0.00 0.00 176.76 177.67 1k2h n TRP 90 N -2.06 2.64 -2.29 -5.13 8.01 -1.26 -4.98 117.44 112.38 1k2h n TRP 90 Ca 0.04 -2.62 -0.38 0.00 -1.31 0.00 0.00 57.50 53.23 1k2h n TRP 90 Cb 0.42 -1.29 -0.02 0.00 -2.01 0.00 0.00 31.31 28.41 1k2h n TRP 90 CO 0.00 0.00 0.00 -1.83 -1.01 0.00 0.00 177.69 174.85 1k2h s GLU 91 N -3.16 4.07 0.63 -0.99 -1.05 -1.25 -4.87 118.70 112.08 1k2h s GLU 91 Ca 0.54 1.85 -0.16 0.00 -0.15 0.00 0.00 54.97 57.05 1k2h s GLU 91 Cb 0.42 -2.69 -0.01 0.00 -0.44 0.00 0.00 34.13 31.40 1k2h s GLU 91 CO -0.05 -0.31 1.11 0.54 0.95 0.00 0.00 175.26 177.50 1k2h s ASN 92 N -1.11 5.28 0.00 0.83 6.03 -1.26 -5.14 114.94 119.57 1k2h s ASN 92 Ca 0.57 2.02 0.00 0.00 -1.03 0.00 0.00 52.86 54.41 1k2h s ASN 92 Cb -0.31 -2.56 0.00 0.00 -3.03 0.00 0.00 41.25 35.35 1k2h s ASN 92 CO 0.39 -1.52 0.00 -0.24 -2.03 0.00 0.00 177.10 173.70