#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 4.97 0.10 1.61 1.04 -1.26 -4.75 113.70 115.42 1k2h s SER 2 Ca 0.00 0.95 -0.22 0.00 0.48 0.00 0.00 55.95 57.17 1k2h s SER 2 Cb 0.00 -1.60 -0.12 0.00 0.10 0.00 0.00 66.02 64.40 1k2h s SER 2 CO 0.00 -1.63 1.75 -0.33 0.98 0.00 0.00 173.24 174.02 1k2h h GLU 3 N -0.86 0.10 -0.36 4.02 5.08 -2.06 0.53 114.58 121.04 1k2h h GLU 3 Ca -0.45 -0.01 -0.16 0.00 -1.00 0.00 0.00 59.36 57.74 1k2h h GLU 3 Cb 1.29 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.51 1k2h h GLU 3 CO 0.65 0.07 -0.39 -0.07 -1.00 0.00 0.00 179.01 178.27 1k2h h LEU 4 N 0.11 0.97 -0.89 1.33 3.38 -2.01 -2.96 115.31 115.23 1k2h h LEU 4 Ca 0.03 -0.48 -0.04 0.00 0.09 0.00 0.00 57.88 57.48 1k2h h LEU 4 Cb -0.01 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.43 1k2h h LEU 4 CO -0.01 1.24 0.32 -0.08 0.09 0.00 0.00 178.44 180.01 1k2h h GLU 5 N 0.70 1.13 -0.99 1.13 4.81 -1.87 -2.52 114.58 116.98 1k2h h GLU 5 Ca 0.05 -0.19 0.01 0.00 -0.13 0.00 0.00 59.36 59.11 1k2h h GLU 5 Cb 0.98 -0.19 -0.05 0.00 0.63 0.00 0.00 28.75 30.12 1k2h h GLU 5 CO 0.10 0.90 0.65 1.15 -0.73 0.00 0.00 179.01 181.08 1k2h h THR 6 N 1.11 1.24 -0.93 0.32 2.02 0.19 -2.11 112.91 114.75 1k2h h THR 6 Ca 0.26 -0.45 0.01 0.00 0.77 0.00 0.00 66.41 67.00 1k2h h THR 6 Cb 0.18 -0.20 -0.05 0.00 -1.74 0.00 0.00 68.15 66.34 1k2h h THR 6 CO -0.02 0.24 0.61 0.00 0.37 0.00 0.00 175.52 176.72 1k2h h ALA 7 N 1.39 1.34 -0.42 6.16 0.00 -1.29 -2.49 119.26 123.95 1k2h h ALA 7 Ca 0.37 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.22 1k2h h ALA 7 Cb -0.13 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.27 1k2h h ALA 7 CO -0.09 0.61 0.28 0.52 0.00 0.00 0.00 179.25 180.57 1k2h h MET 8 N 1.25 0.56 -0.70 0.00 2.07 -1.31 -2.35 114.93 114.44 1k2h h MET 8 Ca 0.34 -0.03 -0.08 0.00 -2.07 0.00 0.00 59.70 57.86 1k2h h MET 8 Cb -0.13 -0.12 -0.03 0.00 -1.87 0.00 0.00 31.60 29.44 1k2h h MET 8 CO -0.08 0.37 0.14 1.49 1.07 0.00 0.00 176.91 179.90 1k2h h GLU 9 N 0.57 1.14 -0.80 1.72 4.57 -1.39 -2.96 114.58 117.42 1k2h h GLU 9 Ca 0.15 -0.29 -0.04 0.00 -1.18 0.00 0.00 59.36 58.00 1k2h h GLU 9 Cb -0.06 -0.14 -0.04 0.00 -0.16 0.00 0.00 28.75 28.35 1k2h h GLU 9 CO -0.03 1.02 0.33 1.15 -1.18 0.00 0.00 179.01 180.30 1k2h h THR 10 N 1.07 1.26 -0.98 0.32 2.02 -1.20 -2.85 112.91 112.56 1k2h h THR 10 Ca 0.21 -0.80 0.00 0.00 0.77 0.00 0.00 66.41 66.60 1k2h h THR 10 Cb 0.42 0.29 -0.05 0.00 -1.74 0.00 0.00 68.15 67.07 1k2h h THR 10 CO 0.01 0.33 0.62 -0.07 0.37 0.00 0.00 175.52 176.78 1k2h h LEU 11 N 1.16 1.15 -0.69 2.58 3.38 -1.27 -2.43 115.31 119.19 1k2h h LEU 11 Ca 0.27 -0.05 -0.06 0.00 0.09 0.00 0.00 57.88 58.13 1k2h h LEU 11 Cb 0.20 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 1k2h h LEU 11 CO -0.02 0.85 0.21 0.40 0.09 0.00 0.00 178.44 179.97 1k2h h ILE 12 N 1.34 1.26 -0.67 1.22 2.04 -1.44 -2.27 117.51 118.99 1k2h h ILE 12 Ca 0.35 -0.89 -0.04 0.00 1.00 0.00 0.00 64.86 65.29 1k2h h ILE 12 Cb -0.11 0.52 -0.03 0.00 -0.74 0.00 0.00 36.82 36.46 1k2h h ILE 12 CO -0.07 0.34 0.26 -1.13 0.00 0.00 0.00 178.15 177.55 1k2h h ASN 13 N 1.01 0.93 0.40 1.72 -1.24 -1.31 -2.77 115.58 114.33 1k2h h ASN 13 Ca 0.22 -0.18 -0.13 0.00 0.71 0.00 0.00 56.30 56.93 1k2h h ASN 13 Cb 0.31 -0.24 -0.01 0.00 0.73 0.00 0.00 38.32 39.10 1k2h h ASN 13 CO -0.01 0.85 -0.54 0.58 -1.29 0.00 0.00 177.43 177.03 1k2h h VAL 14 N 0.95 1.37 -0.90 2.57 2.07 -1.32 -2.69 116.25 118.30 1k2h h VAL 14 Ca 0.22 -1.84 0.05 0.00 0.82 0.00 0.00 66.70 65.95 1k2h h VAL 14 Cb 0.22 1.94 -0.06 0.00 -1.52 0.00 0.00 31.29 31.87 1k2h h VAL 14 CO -0.02 0.54 0.59 -0.26 0.02 0.00 0.00 177.57 178.44 1k2h h PHE 15 N 0.12 1.05 -0.61 1.57 -1.00 -1.13 0.33 116.94 117.27 1k2h h PHE 15 Ca -0.00 0.03 0.01 0.00 2.81 0.00 0.00 57.97 60.81 1k2h h PHE 15 Cb 0.99 -0.35 -0.03 0.00 3.61 0.00 0.00 35.95 40.17 1k2h h PHE 15 CO 0.01 0.57 0.40 1.25 -1.61 0.00 0.00 178.31 178.93 1k2h h HIS 16 N 1.06 0.77 -0.15 -0.55 2.76 -1.32 0.36 115.15 118.08 1k2h h HIS 16 Ca 0.38 0.02 0.04 0.00 -2.20 0.00 0.00 60.37 58.60 1k2h h HIS 16 Cb 0.13 -0.26 -0.07 0.00 1.55 0.00 0.00 27.41 28.77 1k2h h HIS 16 CO -0.00 0.49 -0.45 0.00 -1.30 0.00 0.00 177.93 176.67 1k2h h ALA 17 N 1.62 -0.64 0.06 5.26 0.00 -0.29 3.21 119.26 128.47 1k2h h ALA 17 Ca 0.22 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 55.04 1k2h h ALA 17 Cb -0.09 0.84 0.01 0.00 0.00 0.00 0.00 17.79 18.55 1k2h h ALA 17 CO -0.05 -0.95 -0.32 0.45 0.00 0.00 0.00 179.25 178.38 1k2h h HIS 18 N -0.50 0.22 -0.00 0.00 3.86 -1.46 -3.34 115.15 113.93 1k2h h HIS 18 Ca 0.07 -0.16 0.00 0.00 -1.16 0.00 0.00 60.37 59.12 1k2h h HIS 18 Cb 0.64 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 29.10 1k2h h HIS 18 CO -0.51 1.12 -0.05 0.43 0.86 0.00 0.00 177.93 179.77 1k2h n SER 19 N -4.42 0.05 -0.17 2.45 7.64 0.12 -4.04 113.62 115.25 1k2h n SER 19 Ca -0.11 0.41 0.00 0.00 1.01 0.00 0.00 58.87 60.18 1k2h n SER 19 Cb 0.61 -0.42 0.00 0.00 -1.01 0.00 0.00 64.21 63.39 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 1.50 0.00 0.25 0.23 0.00 1.07 -3.12 105.19 105.12 1k2h n GLY 20 Ca 0.07 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.21 1k2h n GLY 20 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1k2h h LYS 21 N 0.34 0.00 0.00 1.61 1.63 -1.78 -3.43 116.57 114.93 1k2h h LYS 21 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1k2h h LYS 21 Cb 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.63 1k2h h LYS 21 CO 0.00 0.00 0.00 -1.91 -3.45 0.00 0.00 179.45 174.09 1k2h n GLU 22 N -2.51 0.00 0.00 1.90 4.07 -1.18 -4.88 120.64 118.04 1k2h n GLU 22 Ca -0.02 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.08 1k2h n GLU 22 Cb 0.32 -0.63 0.00 0.00 -0.06 0.00 0.00 31.44 31.07 1k2h n GLU 22 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1k2h n GLY 23 N -1.75 0.64 3.47 8.31 0.00 -1.26 -4.72 105.19 109.88 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 0.99 0.00 0.00 0.00 173.32 174.31 1k2h s ASP 24 N -1.26 6.15 0.46 1.61 1.01 -1.26 -4.90 116.67 118.48 1k2h s ASP 24 Ca 0.00 -0.79 0.31 0.00 0.71 0.00 0.00 52.55 52.77 1k2h s ASP 24 Cb 0.00 -2.19 1.26 0.00 1.01 0.00 0.00 42.92 43.00 1k2h s ASP 24 CO 0.00 -0.51 1.90 0.11 0.21 0.00 0.00 175.17 176.88 1k2h h LYS 25 N 8.68 0.00 -6.38 8.23 1.57 -1.85 -3.44 116.57 123.38 1k2h h LYS 25 Ca -0.27 0.00 -0.38 0.00 -1.87 0.00 0.00 60.65 58.14 1k2h h LYS 25 Cb 1.12 0.00 0.20 0.00 0.08 0.00 0.00 32.23 33.63 1k2h h LYS 25 CO 0.76 0.00 -1.00 0.66 -0.57 0.00 0.00 179.45 179.30 1k2h n TYR 26 N -2.80 -1.74 0.89 -1.35 4.02 -1.26 -4.74 117.16 110.18 1k2h n TYR 26 Ca 0.01 0.14 0.01 0.00 -0.01 0.00 0.00 57.90 58.05 1k2h n TYR 26 Cb 0.28 -1.48 0.04 0.00 -0.02 0.00 0.00 39.34 38.16 1k2h n TYR 26 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 176.86 177.02 1k2h n LYS 27 N -1.50 1.38 0.00 -0.72 3.00 0.85 -4.72 118.16 116.45 1k2h n LYS 27 Ca 0.02 -0.32 0.00 0.00 -0.00 0.00 0.00 58.31 58.01 1k2h n LYS 27 Cb 0.55 -1.53 0.00 0.00 0.00 0.00 0.00 35.03 34.04 1k2h n LYS 27 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 1k2h n LEU 28 N 0.03 0.00 -4.76 3.14 4.77 -1.17 -4.18 117.00 114.83 1k2h n LEU 28 Ca 0.03 0.00 -0.35 0.00 -0.03 0.00 0.00 56.01 55.66 1k2h n LEU 28 Cb 0.32 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.44 1k2h n LEU 28 CO 0.03 0.00 0.80 -0.44 -1.33 0.00 0.00 177.39 176.45 1k2h s SER 29 N -2.69 5.35 0.36 -1.43 0.01 -1.26 -1.72 113.70 112.32 1k2h s SER 29 Ca 0.00 2.24 0.07 0.00 1.31 0.00 0.00 55.95 59.57 1k2h s SER 29 Cb 0.00 -2.58 0.75 0.00 0.21 0.00 0.00 66.02 64.40 1k2h s SER 29 CO 0.00 -1.47 1.93 0.11 0.41 0.00 0.00 173.24 174.21 1k2h h LYS 30 N 0.84 0.73 -0.59 12.44 1.57 -1.39 -1.89 116.57 128.28 1k2h h LYS 30 Ca -0.50 -0.04 0.01 0.00 -1.87 0.00 0.00 60.65 58.25 1k2h h LYS 30 Cb 1.27 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 33.39 1k2h h LYS 30 CO 0.55 0.48 0.39 -0.22 -0.57 0.00 0.00 179.45 180.08 1k2h h LYS 31 N 0.75 0.78 0.20 3.15 1.63 0.12 -2.76 116.57 120.44 1k2h h LYS 31 Ca 0.36 -0.05 -0.01 0.00 -0.85 0.00 0.00 60.65 60.10 1k2h h LYS 31 Cb 0.41 -0.17 0.00 0.00 -0.60 0.00 0.00 32.23 31.87 1k2h h LYS 31 CO -0.14 0.52 -0.10 1.49 -3.45 0.00 0.00 179.45 177.77 1k2h h GLU 32 N 0.80 -0.26 -1.04 1.90 4.81 -1.61 -3.17 114.58 116.00 1k2h h GLU 32 Ca 0.22 0.02 0.36 0.00 -0.13 0.00 0.00 59.36 59.83 1k2h h GLU 32 Cb -0.09 0.06 -0.15 0.00 0.63 0.00 0.00 28.75 29.20 1k2h h GLU 32 CO -0.05 0.09 0.60 1.25 -0.73 0.00 0.00 179.01 180.17 1k2h h LEU 33 N -0.95 0.43 -0.57 1.64 7.12 -1.39 0.58 115.31 122.17 1k2h h LEU 33 Ca -0.03 0.20 -0.10 0.00 0.13 0.00 0.00 57.88 58.08 1k2h h LEU 33 Cb 0.47 0.17 -0.02 0.00 -0.53 0.00 0.00 40.66 40.75 1k2h h LEU 33 CO 0.05 -0.23 -0.04 0.50 -0.13 0.00 0.00 178.44 178.59 1k2h h LYS 34 N 0.20 1.04 -0.96 1.25 1.63 -1.54 -2.47 116.57 115.73 1k2h h LYS 34 Ca 0.78 -0.35 0.01 0.00 -0.85 0.00 0.00 60.65 60.23 1k2h h LYS 34 Cb 1.95 -0.08 -0.05 0.00 -0.60 0.00 0.00 32.23 33.45 1k2h h LYS 34 CO -0.62 1.05 0.62 0.22 -3.45 0.00 0.00 179.45 177.27 1k2h h ASP 35 N 0.93 1.12 0.44 4.20 1.82 0.18 -0.76 116.42 124.35 1k2h h ASP 35 Ca 0.16 -0.04 -0.02 0.00 -0.39 0.00 0.00 57.03 56.74 1k2h h ASP 35 Cb 0.61 -0.28 0.00 0.00 0.68 0.00 0.00 39.33 40.34 1k2h h ASP 35 CO 0.04 0.82 -0.21 -0.07 -1.61 0.00 0.00 179.24 178.21 1k2h h LEU 36 N 1.31 -0.50 0.02 2.28 4.07 -1.10 -3.16 115.31 118.23 1k2h h LEU 36 Ca 0.35 -0.10 -0.27 0.00 0.08 0.00 0.00 57.88 57.94 1k2h h LEU 36 Cb -0.13 0.13 0.02 0.00 1.08 0.00 0.00 40.66 41.76 1k2h h LEU 36 CO -0.07 -0.13 -1.07 -0.07 -1.08 0.00 0.00 178.44 176.02 1k2h h LEU 37 N -0.94 0.91 -2.05 1.67 -0.00 -1.45 -0.07 115.31 113.38 1k2h h LEU 37 Ca -0.06 -0.75 0.12 0.00 -0.00 0.00 0.00 57.88 57.18 1k2h h LEU 37 Cb 0.57 -0.28 -0.02 0.00 -0.00 0.00 0.00 40.66 40.94 1k2h h LEU 37 CO 0.10 1.55 0.35 -0.61 -0.00 0.00 0.00 178.44 179.83 1k2h h GLN 38 N 0.37 0.00 0.06 1.13 4.15 -1.27 0.25 115.11 119.79 1k2h h GLN 38 Ca -0.14 0.00 -0.37 0.00 0.77 0.00 0.00 58.65 58.91 1k2h h GLN 38 Cb 1.73 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 29.38 1k2h h GLN 38 CO 0.21 0.00 -2.17 2.41 -1.93 0.00 0.00 178.83 177.35 1k2h n THR 39 N -4.04 1.63 -0.26 2.39 -1.04 -1.18 -4.25 114.28 107.53 1k2h n THR 39 Ca 0.07 -0.55 -0.00 0.00 -2.04 0.00 0.00 64.05 61.53 1k2h n THR 39 Cb 0.53 -1.65 0.21 0.00 -1.82 0.00 0.00 70.33 67.61 1k2h n THR 39 CO 0.00 0.00 0.00 -0.08 -0.64 0.00 0.00 175.07 174.35 1k2h h GLU 40 N -0.13 1.07 -1.63 -2.82 4.57 -0.21 -0.97 114.58 114.45 1k2h h GLU 40 Ca -0.50 -0.06 -0.21 0.00 -1.18 0.00 0.00 59.36 57.40 1k2h h GLU 40 Cb 1.89 -0.24 -0.09 0.00 -0.16 0.00 0.00 28.75 30.14 1k2h h GLU 40 CO -0.05 0.71 0.28 1.28 -1.18 0.00 0.00 179.01 180.04 1k2h n LEU 41 N -4.41 5.96 -0.33 1.64 4.77 0.80 -4.58 117.00 120.84 1k2h n LEU 41 Ca 0.09 -2.95 0.21 0.00 -0.03 0.00 0.00 56.01 53.33 1k2h n LEU 41 Cb 0.03 -1.05 0.43 0.00 -2.33 0.00 0.00 43.42 40.50 1k2h n LEU 41 CO 0.36 1.12 1.11 -1.28 -1.33 0.00 0.00 177.39 177.38 1k2h h SER 42 N 1.24 0.51 0.00 -1.43 0.87 -1.35 2.22 113.55 115.62 1k2h h SER 42 Ca 0.20 0.17 0.00 0.00 -1.23 0.00 0.00 61.79 60.93 1k2h h SER 42 Cb 0.99 0.12 0.00 0.00 -0.44 0.00 0.00 62.40 63.07 1k2h h SER 42 CO 0.50 -0.06 0.06 0.28 -0.53 0.00 0.00 176.83 177.08 1k2h h SER 43 N 0.39 0.00 -0.63 6.23 0.02 -1.87 0.93 113.55 118.62 1k2h h SER 43 Ca 0.69 0.00 0.01 0.00 -0.84 0.00 0.00 61.79 61.64 1k2h h SER 43 Cb 1.47 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.98 1k2h h SER 43 CO -0.57 0.00 0.42 0.15 -1.14 0.00 0.00 176.83 175.69 1k2h h PHE 44 N 0.00 0.80 0.00 3.45 3.04 0.34 0.50 116.94 125.06 1k2h h PHE 44 Ca 0.00 0.02 0.00 0.00 3.98 0.00 0.00 57.97 61.97 1k2h h PHE 44 Cb 0.12 -0.27 0.00 0.00 2.56 0.00 0.00 35.95 38.36 1k2h h PHE 44 CO 0.00 0.50 0.00 1.28 -2.02 0.00 0.00 178.31 178.07 1k2h n LEU 45 N -4.65 0.52 -0.16 0.59 4.32 0.32 -2.13 117.00 115.82 1k2h n LEU 45 Ca 0.05 0.69 0.08 0.00 -0.02 0.00 0.00 56.01 56.81 1k2h n LEU 45 Cb 0.02 -0.70 0.39 0.00 -1.62 0.00 0.00 43.42 41.50 1k2h n LEU 45 CO 0.35 -0.74 1.21 -0.78 -1.22 0.00 0.00 177.39 176.21 1k2h h ASP 46 N 0.00 0.60 -0.69 -1.43 1.82 -0.01 -3.39 116.42 113.32 1k2h h ASP 46 Ca 0.00 0.00 -0.02 0.00 -0.39 0.00 0.00 57.03 56.63 1k2h h ASP 46 Cb 0.14 -0.12 -0.18 0.00 0.68 0.00 0.00 39.33 39.85 1k2h h ASP 46 CO 0.00 0.38 -0.33 0.54 -1.61 0.00 0.00 179.24 178.23 1k2h s VAL 47 N -5.61 -0.69 0.33 2.25 0.11 -0.90 -5.02 120.40 110.86 1k2h s VAL 47 Ca -0.09 -0.20 -0.29 0.00 -2.93 0.00 0.00 61.98 58.47 1k2h s VAL 47 Cb 0.19 0.00 -0.10 0.00 -1.53 0.00 0.00 36.38 34.94 1k2h s VAL 47 CO 0.77 0.00 1.27 0.00 -3.33 0.00 0.00 175.10 173.81 1k2h s GLN 48 N 1.61 4.38 0.00 1.54 -2.07 -1.24 -4.64 119.66 119.24 1k2h s GLN 48 Ca 0.19 2.15 0.00 0.00 -1.82 0.00 0.00 55.36 55.88 1k2h s GLN 48 Cb 0.01 -3.07 0.00 0.00 -1.09 0.00 0.00 33.01 28.85 1k2h s GLN 48 CO -0.09 -0.14 0.00 1.63 -1.32 0.00 0.00 175.29 175.37 1k2h n LYS 49 N 0.83 0.00 -3.18 9.60 4.76 1.50 -4.94 118.16 126.73 1k2h n LYS 49 Ca -0.00 0.00 -0.43 0.00 -2.87 0.00 0.00 58.31 55.01 1k2h n LYS 49 Cb 0.42 0.00 -0.07 0.00 -1.84 0.00 0.00 35.03 33.54 1k2h n LYS 49 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1k2h s ASP 50 N -0.10 6.26 0.34 4.39 1.01 -0.97 -4.88 116.67 122.72 1k2h s ASP 50 Ca 0.00 -0.59 0.26 0.00 0.71 0.00 0.00 52.55 52.93 1k2h s ASP 50 Cb 0.00 -2.28 0.84 0.00 1.01 0.00 0.00 42.92 42.48 1k2h s ASP 50 CO 0.00 -0.76 1.76 0.00 0.21 0.00 0.00 175.17 176.38 1k2h h ALA 51 N 8.87 1.00 -0.28 5.23 0.00 -1.92 -3.12 119.26 129.04 1k2h h ALA 51 Ca -0.26 0.00 -0.19 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 18.89 1k2h h ALA 51 CO 0.89 0.00 -0.57 0.22 0.00 0.00 0.00 179.25 179.78 1k2h h ASP 52 N 0.00 0.99 -0.01 0.00 1.82 -1.98 -0.03 116.42 117.20 1k2h h ASP 52 Ca 0.00 -0.54 -0.00 0.00 -0.39 0.00 0.00 57.03 56.09 1k2h h ASP 52 Cb 0.68 -0.28 -0.00 0.00 0.68 0.00 0.00 39.33 40.40 1k2h h ASP 52 CO 0.00 1.35 -0.01 0.00 -1.61 0.00 0.00 179.24 178.97 1k2h h ALA 53 N 0.67 0.02 -1.01 -0.78 0.00 -1.93 -2.15 119.26 114.08 1k2h h ALA 53 Ca 0.01 -0.21 0.02 0.00 0.00 0.00 0.00 54.91 54.72 1k2h h ALA 53 Cb 1.19 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.92 1k2h h ALA 53 CO 0.13 -0.26 0.67 -0.24 0.00 0.00 0.00 179.25 179.54 1k2h h VAL 54 N -0.38 1.23 -0.94 0.00 3.04 -1.60 -2.38 116.25 115.22 1k2h h VAL 54 Ca 0.00 -0.46 0.00 0.00 -1.01 0.00 0.00 66.70 65.24 1k2h h VAL 54 Cb 0.43 -0.22 -0.05 0.00 -2.01 0.00 0.00 31.29 29.44 1k2h h VAL 54 CO 0.00 0.24 0.60 -0.78 -1.01 0.00 0.00 177.57 176.63 1k2h h ASP 55 N 1.34 1.10 -0.39 3.17 3.58 -0.84 -1.51 116.42 122.87 1k2h h ASP 55 Ca 0.38 -0.04 -0.16 0.00 0.42 0.00 0.00 57.03 57.63 1k2h h ASP 55 Cb -0.10 -0.28 -0.01 0.00 1.72 0.00 0.00 39.33 40.66 1k2h h ASP 55 CO -0.10 0.82 -0.38 0.11 -2.88 0.00 0.00 179.24 176.81 1k2h h LYS 56 N 1.29 0.95 -0.71 0.28 1.57 -0.88 -2.52 116.57 116.54 1k2h h LYS 56 Ca 0.34 -0.50 -0.06 0.00 -1.87 0.00 0.00 60.65 58.56 1k2h h LYS 56 Cb -0.11 0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.18 1k2h h LYS 56 CO -0.07 1.15 0.20 0.82 -0.57 0.00 0.00 179.45 180.99 1k2h h ILE 57 N 0.77 1.26 0.00 1.86 5.03 -1.18 -1.31 117.51 123.95 1k2h h ILE 57 Ca 0.06 -0.93 -0.03 0.00 -0.12 0.00 0.00 64.86 63.85 1k2h h ILE 57 Cb 0.98 0.51 -0.00 0.00 -3.03 0.00 0.00 36.82 35.27 1k2h h ILE 57 CO 0.09 0.36 -0.12 -0.03 -0.68 0.00 0.00 178.15 177.77 1k2h h MET 58 N 1.06 0.00 -0.73 2.37 4.05 -1.15 -2.61 114.93 117.91 1k2h h MET 58 Ca 0.23 0.00 -0.07 0.00 -0.28 0.00 0.00 59.70 59.58 1k2h h MET 58 Cb 0.33 0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 31.10 1k2h h MET 58 CO -0.00 0.12 0.19 -0.22 0.23 0.00 0.00 176.91 177.24 1k2h h LYS 59 N 0.00 1.16 -0.29 0.39 3.64 -0.79 -1.11 116.57 119.57 1k2h h LYS 59 Ca -0.00 -0.27 -0.16 0.00 -1.27 0.00 0.00 60.65 58.95 1k2h h LYS 59 Cb 0.32 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.98 1k2h h LYS 59 CO 0.02 1.00 -0.46 0.93 -2.27 0.00 0.00 179.45 178.68 1k2h h GLU 60 N 1.10 0.75 0.00 1.90 4.39 -1.44 -0.98 114.58 120.30 1k2h h GLU 60 Ca 0.23 -0.42 -0.05 0.00 0.34 0.00 0.00 59.36 59.46 1k2h h GLU 60 Cb 0.35 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.03 1k2h h GLU 60 CO -0.00 1.05 -0.23 -0.07 -1.16 0.00 0.00 179.01 178.59 1k2h h LEU 61 N 0.60 0.00 0.00 1.33 3.38 -1.51 -3.03 115.31 116.08 1k2h h LEU 61 Ca 0.04 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.69 1k2h h LEU 61 Cb 1.02 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.71 1k2h h LEU 61 CO 0.10 0.23 -1.91 0.47 0.09 0.00 0.00 178.44 177.42 1k2h n ASP 62 N -3.18 0.66 0.04 -0.43 8.00 -0.43 -0.31 116.55 120.90 1k2h n ASP 62 Ca 0.03 0.29 -0.07 0.00 0.71 0.00 0.00 54.79 55.75 1k2h n ASP 62 Cb 0.60 0.21 0.10 0.00 -0.02 0.00 0.00 41.12 42.01 1k2h n ASP 62 CO 0.00 0.00 0.00 1.05 -0.39 0.00 0.00 177.20 177.86 1k2h h GLU 63 N 0.00 0.41 -0.70 -1.24 4.11 -1.25 -3.37 114.58 112.55 1k2h h GLU 63 Ca -0.36 -0.26 -0.32 0.00 0.07 0.00 0.00 59.36 58.49 1k2h h GLU 63 Cb 2.08 0.03 -0.25 0.00 0.50 0.00 0.00 28.75 31.10 1k2h h GLU 63 CO 0.06 0.85 -0.74 -1.71 0.07 0.00 0.00 179.01 177.55 1k2h n ASN 64 N -3.94 -0.86 0.13 3.06 5.15 -1.14 -4.94 115.26 112.73 1k2h n ASN 64 Ca -0.03 -3.14 0.05 0.00 -0.60 0.00 0.00 54.58 50.86 1k2h n ASN 64 Cb 0.59 0.71 0.26 0.00 -0.53 0.00 0.00 39.78 40.82 1k2h n ASN 64 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1k2h n GLY 65 N 0.10 -0.52 0.26 8.20 0.00 0.57 0.24 105.19 114.03 1k2h n GLY 65 Ca 0.10 0.09 0.15 0.00 0.00 0.00 0.00 46.02 46.36 1k2h n GLY 65 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1k2h n ASP 66 N -1.88 0.80 -3.89 1.61 8.00 -1.26 0.16 116.55 120.08 1k2h n ASP 66 Ca -0.01 -1.28 0.00 0.00 0.71 0.00 0.00 54.79 54.21 1k2h n ASP 66 Cb 0.34 -0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.44 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 1.09 -2.67 3.16 0.44 0.00 0.64 -4.67 105.19 103.17 1k2h n GLY 67 Ca 0.21 -1.07 -0.10 0.00 0.00 0.00 0.00 46.02 45.06 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 0.00 0.65 0.01 1.61 2.02 -1.26 -3.21 118.70 118.51 1k2h s GLU 68 Ca 0.00 -0.66 0.00 0.00 0.02 0.00 0.00 54.97 54.33 1k2h s GLU 68 Cb 0.00 0.27 -0.01 0.00 0.10 0.00 0.00 34.13 34.49 1k2h s GLU 68 CO 0.00 -0.18 -0.01 0.14 0.02 0.00 0.00 175.26 175.23 1k2h s VAL 69 N -2.53 0.04 0.00 2.63 -7.23 -0.70 -4.70 120.40 107.90 1k2h s VAL 69 Ca -0.05 -0.25 0.00 0.00 -1.81 0.00 0.00 61.98 59.87 1k2h s VAL 69 Cb -0.01 -0.08 0.00 0.00 0.56 0.00 0.00 36.38 36.84 1k2h s VAL 69 CO -0.04 -0.13 0.00 -0.67 -0.31 0.00 0.00 175.10 173.95 1k2h n ASP 70 N 2.68 0.56 -0.02 4.85 -0.08 -1.26 0.29 116.55 123.57 1k2h n ASP 70 Ca -0.15 0.00 -0.11 0.00 -1.51 0.00 0.00 54.79 53.02 1k2h n ASP 70 Cb 0.59 0.00 -0.05 0.00 2.34 0.00 0.00 41.12 44.00 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 0.00 0.17 0.00 -0.67 -5.15 -1.94 0.54 116.94 109.89 1k2h h PHE 71 Ca 0.00 -0.00 -0.09 0.00 -0.20 0.00 0.00 57.97 57.68 1k2h h PHE 71 Cb 0.00 -0.06 -0.01 0.00 0.22 0.00 0.00 35.95 36.10 1k2h h PHE 71 CO 0.00 0.17 -0.41 0.37 -2.00 0.00 0.00 178.31 176.45 1k2h h GLN 72 N 0.12 0.00 0.17 6.09 4.15 -1.98 -1.31 115.11 122.34 1k2h h GLN 72 Ca 0.04 0.00 -0.30 0.00 0.77 0.00 0.00 58.65 59.16 1k2h h GLN 72 Cb 0.06 0.00 0.02 0.00 0.21 0.00 0.00 27.48 27.76 1k2h h GLN 72 CO -0.01 0.41 -1.39 0.93 -1.93 0.00 0.00 178.83 176.84 1k2h h GLU 73 N 0.00 0.37 -0.31 1.69 4.39 -1.86 -1.84 114.58 117.02 1k2h h GLU 73 Ca -0.00 -0.63 -0.15 0.00 0.34 0.00 0.00 59.36 58.92 1k2h h GLU 73 Cb 0.81 0.23 -0.01 0.00 -0.10 0.00 0.00 28.75 29.69 1k2h h GLU 73 CO 0.05 1.29 -0.42 0.35 -1.16 0.00 0.00 179.01 179.12 1k2h h PHE 74 N 0.10 0.94 0.04 4.33 3.04 0.22 -1.50 116.94 124.11 1k2h h PHE 74 Ca -0.20 -0.29 -0.21 0.00 3.98 0.00 0.00 57.97 61.25 1k2h h PHE 74 Cb 2.05 -0.19 0.02 0.00 2.56 0.00 0.00 35.95 40.39 1k2h h PHE 74 CO 0.09 1.06 -0.85 0.28 -2.02 0.00 0.00 178.31 176.87 1k2h h VAL 75 N 0.63 1.38 -0.20 1.41 2.07 -1.30 -2.08 116.25 118.16 1k2h h VAL 75 Ca 0.05 -2.24 -0.21 0.00 0.82 0.00 0.00 66.70 65.11 1k2h h VAL 75 Cb 0.98 2.64 0.01 0.00 -1.52 0.00 0.00 31.29 33.40 1k2h h VAL 75 CO 0.09 0.67 -0.70 0.58 0.02 0.00 0.00 177.57 178.23 1k2h h VAL 76 N 0.05 1.27 -0.16 2.57 2.07 -1.38 -1.74 116.25 118.92 1k2h h VAL 76 Ca -0.12 -1.88 -0.22 0.00 0.82 0.00 0.00 66.70 65.30 1k2h h VAL 76 Cb 1.55 1.85 0.01 0.00 -1.52 0.00 0.00 31.29 33.18 1k2h h VAL 76 CO 0.16 0.61 -0.77 0.25 0.02 0.00 0.00 177.57 177.84 1k2h h LEU 77 N 0.60 0.95 -0.38 2.57 5.85 -1.38 -1.59 115.31 121.93 1k2h h LEU 77 Ca -0.03 -0.62 -0.18 0.00 0.84 0.00 0.00 57.88 57.89 1k2h h LEU 77 Cb 1.32 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 42.07 1k2h h LEU 77 CO 0.15 1.42 -0.62 0.58 -0.34 0.00 0.00 178.44 179.63 1k2h h VAL 78 N 0.55 1.31 -0.40 1.05 2.07 -1.43 -2.09 116.25 117.32 1k2h h VAL 78 Ca -0.05 -1.86 -0.09 0.00 0.82 0.00 0.00 66.70 65.51 1k2h h VAL 78 Cb 1.40 1.82 -0.02 0.00 -1.52 0.00 0.00 31.29 32.97 1k2h h VAL 78 CO 0.16 0.59 -0.14 0.00 0.02 0.00 0.00 177.57 178.19 1k2h h ALA 79 N 0.82 1.01 -0.75 1.67 0.00 -1.34 -2.36 119.26 118.31 1k2h h ALA 79 Ca -0.01 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1k2h h ALA 79 Cb 1.20 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.79 1k2h h ALA 79 CO 0.12 0.59 0.49 0.00 0.00 0.00 0.00 179.25 180.45 1k2h h ALA 80 N 1.20 0.95 -0.90 0.00 0.00 -1.02 -1.09 119.26 118.40 1k2h h ALA 80 Ca 0.11 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.96 1k2h h ALA 80 Cb 0.61 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 1k2h h ALA 80 CO 0.04 0.38 0.59 -0.07 0.00 0.00 0.00 179.25 180.20 1k2h h LEU 81 N 1.02 1.04 -2.00 0.00 3.38 -0.89 0.00 115.31 117.87 1k2h h LEU 81 Ca 0.27 -0.03 0.29 0.00 0.09 0.00 0.00 57.88 58.50 1k2h h LEU 81 Cb -0.10 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.35 1k2h h LEU 81 CO -0.06 0.76 0.72 0.74 0.09 0.00 0.00 178.44 180.70 1k2h h THR 82 N 1.23 0.50 -0.45 0.22 2.02 -0.72 0.54 112.91 116.24 1k2h h THR 82 Ca 0.33 -0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.52 1k2h h THR 82 Cb -0.13 0.50 -0.02 0.00 -1.74 0.00 0.00 68.15 66.75 1k2h h THR 82 CO -0.07 0.00 0.30 0.58 0.37 0.00 0.00 175.52 176.70 1k2h h VAL 83 N 0.00 1.11 0.00 3.16 2.07 -0.85 2.73 116.25 124.48 1k2h h VAL 83 Ca 0.48 -0.21 -0.02 0.00 0.82 0.00 0.00 66.70 67.77 1k2h h VAL 83 Cb 1.91 0.45 -0.00 0.00 -1.52 0.00 0.00 31.29 32.13 1k2h h VAL 83 CO -0.01 0.11 -0.08 0.00 0.02 0.00 0.00 177.57 177.61 1k2h h ALA 84 N 1.17 1.05 0.00 1.67 0.00 0.03 -3.21 119.26 119.97 1k2h h ALA 84 Ca 0.17 -0.08 -0.14 0.00 0.00 0.00 0.00 54.91 54.86 1k2h h ALA 84 Cb -0.07 -0.01 -0.30 0.00 0.00 0.00 0.00 17.79 17.41 1k2h h ALA 84 CO -0.04 0.10 -0.92 0.00 0.00 0.00 0.00 179.25 178.40 1k2h n ASN 86 N 0.16 0.00 -4.64 0.00 0.23 0.91 -4.70 115.26 107.21 1k2h n ASN 86 Ca 0.08 0.02 -0.51 0.00 -0.53 0.00 0.00 54.58 53.64 1k2h n ASN 86 Cb 1.05 -0.02 -0.06 0.00 -2.08 0.00 0.00 39.78 38.66 1k2h n ASN 86 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 1k2h n ASN 87 N -0.97 2.87 0.21 0.53 5.15 -1.26 -4.78 115.26 117.01 1k2h n ASN 87 Ca 0.00 0.87 0.07 0.00 -0.60 0.00 0.00 54.58 54.93 1k2h n ASN 87 Cb 0.00 -1.28 0.44 0.00 -0.53 0.00 0.00 39.78 38.41 1k2h n ASN 87 CO 0.00 0.00 0.00 -0.26 1.40 0.00 0.00 177.26 178.40 1k2h h PHE 88 N 9.43 0.00 0.00 1.20 0.04 -1.99 -1.54 116.94 124.08 1k2h h PHE 88 Ca -0.44 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.33 1k2h h PHE 88 Cb 1.29 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.44 1k2h h PHE 88 CO 0.87 0.29 0.00 1.19 -0.60 0.00 0.00 178.31 180.06 1k2h n PHE 89 N -3.59 0.00 -0.11 -0.55 3.01 -1.26 -4.01 117.46 110.95 1k2h n PHE 89 Ca -0.01 0.00 -0.00 0.00 1.01 0.00 0.00 57.45 58.45 1k2h n PHE 89 Cb 0.43 -0.35 -0.00 0.00 -0.01 0.00 0.00 39.48 39.54 1k2h n PHE 89 CO 0.00 0.00 0.00 -2.67 1.01 0.00 0.00 176.76 175.10 1k2h n TRP 90 N -1.35 0.00 -2.75 1.38 4.27 -0.58 -4.80 117.44 113.62 1k2h n TRP 90 Ca 0.07 -0.20 -0.41 0.00 -3.89 0.00 0.00 57.50 53.07 1k2h n TRP 90 Cb 0.15 -0.35 -0.04 0.00 -1.36 0.00 0.00 31.31 29.71 1k2h n TRP 90 CO 0.00 0.00 0.00 -1.21 -2.29 0.00 0.00 177.69 174.19 1k2h s GLU 91 N 1.80 4.68 0.00 -2.67 0.41 -1.26 -4.87 118.70 116.79 1k2h s GLU 91 Ca 0.02 1.42 0.28 0.00 -0.41 0.00 0.00 54.97 56.28 1k2h s GLU 91 Cb 0.01 -3.38 1.00 0.00 -1.78 0.00 0.00 34.13 29.98 1k2h s GLU 91 CO 0.00 0.21 1.71 0.27 -0.49 0.00 0.00 175.26 176.96 1k2h n ASN 92 N 2.84 1.59 0.00 -0.19 6.94 -1.26 -5.10 115.26 120.08 1k2h n ASN 92 Ca 0.02 -1.53 0.00 0.00 -0.02 0.00 0.00 54.58 53.05 1k2h n ASN 92 Cb 0.49 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.91 1k2h n ASN 92 CO 0.00 0.00 0.00 -1.54 -1.03 0.00 0.00 177.26 174.69