#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 6.23 0.25 1.61 0.01 -1.26 -5.00 113.70 115.53 1k2h s SER 2 Ca 0.00 0.10 -0.06 0.00 1.31 0.00 0.00 55.95 57.30 1k2h s SER 2 Cb 0.00 -1.84 0.26 0.00 0.21 0.00 0.00 66.02 64.66 1k2h s SER 2 CO 0.00 0.02 1.93 -0.33 0.41 0.00 0.00 173.24 175.27 1k2h h GLU 3 N 1.91 1.33 -0.57 12.44 5.08 -2.07 -2.14 114.58 130.57 1k2h h GLU 3 Ca -0.49 -0.08 -0.11 0.00 -1.00 0.00 0.00 59.36 57.68 1k2h h GLU 3 Cb 1.20 -0.30 -0.02 0.00 0.50 0.00 0.00 28.75 30.14 1k2h h GLU 3 CO 0.66 0.88 -0.08 -0.07 -1.00 0.00 0.00 179.01 179.40 1k2h h LEU 4 N 1.37 1.05 -1.00 1.33 3.38 -2.01 -2.96 115.31 116.46 1k2h h LEU 4 Ca 0.37 -0.33 0.01 0.00 0.09 0.00 0.00 57.88 58.02 1k2h h LEU 4 Cb -0.15 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 40.26 1k2h h LEU 4 CO -0.08 1.14 0.66 -0.08 0.09 0.00 0.00 178.44 180.16 1k2h h GLU 5 N 0.94 1.32 -1.00 1.13 4.81 -1.80 -2.18 114.58 117.80 1k2h h GLU 5 Ca 0.15 -0.08 0.01 0.00 -0.13 0.00 0.00 59.36 59.31 1k2h h GLU 5 Cb 0.65 -0.30 -0.05 0.00 0.63 0.00 0.00 28.75 29.68 1k2h h GLU 5 CO 0.04 0.87 0.65 1.15 -0.73 0.00 0.00 179.01 181.00 1k2h h THR 6 N 1.35 1.26 -0.93 0.32 2.02 -1.28 -2.44 112.91 113.20 1k2h h THR 6 Ca 0.37 -0.49 -0.01 0.00 0.77 0.00 0.00 66.41 67.05 1k2h h THR 6 Cb -0.15 -0.20 -0.04 0.00 -1.74 0.00 0.00 68.15 66.01 1k2h h THR 6 CO -0.08 0.25 0.55 0.00 0.37 0.00 0.00 175.52 176.62 1k2h h ALA 7 N 1.36 1.19 -0.85 6.16 0.00 -1.33 -2.61 119.26 123.18 1k2h h ALA 7 Ca 0.36 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 1k2h h ALA 7 Cb -0.14 -0.37 -0.04 0.00 0.00 0.00 0.00 17.79 17.23 1k2h h ALA 7 CO -0.08 0.65 0.49 0.52 0.00 0.00 0.00 179.25 180.84 1k2h h MET 8 N 1.29 1.18 -1.00 0.00 2.07 -1.29 -2.14 114.93 115.03 1k2h h MET 8 Ca 0.33 -0.12 0.01 0.00 -2.07 0.00 0.00 59.70 57.85 1k2h h MET 8 Cb -0.04 -0.24 -0.05 0.00 -1.87 0.00 0.00 31.60 29.40 1k2h h MET 8 CO -0.06 0.85 0.67 0.93 1.07 0.00 0.00 176.91 180.36 1k2h h GLU 9 N 1.18 1.32 -0.55 1.72 5.08 -1.35 -2.37 114.58 119.62 1k2h h GLU 9 Ca 0.30 -0.08 -0.12 0.00 -1.00 0.00 0.00 59.36 58.47 1k2h h GLU 9 Cb -0.01 -0.30 -0.02 0.00 0.50 0.00 0.00 28.75 28.93 1k2h h GLU 9 CO -0.05 0.88 -0.11 1.15 -1.00 0.00 0.00 179.01 179.87 1k2h h THR 10 N 1.36 1.27 -0.99 1.13 2.02 -1.26 -3.07 112.91 113.37 1k2h h THR 10 Ca 0.37 -1.27 0.01 0.00 0.77 0.00 0.00 66.41 66.28 1k2h h THR 10 Cb -0.16 0.95 -0.05 0.00 -1.74 0.00 0.00 68.15 67.15 1k2h h THR 10 CO -0.08 0.45 0.65 -0.07 0.37 0.00 0.00 175.52 176.84 1k2h h LEU 11 N 0.93 1.15 -0.60 2.58 3.38 -0.88 -2.38 115.31 119.48 1k2h h LEU 11 Ca 0.14 -0.04 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 1k2h h LEU 11 Cb 0.68 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 41.12 1k2h h LEU 11 CO 0.05 0.84 0.26 0.40 0.09 0.00 0.00 178.44 180.08 1k2h h ILE 12 N 1.35 1.22 -0.60 1.22 1.08 -1.41 -2.41 117.51 117.97 1k2h h ILE 12 Ca 0.36 -0.67 -0.04 0.00 -0.39 0.00 0.00 64.86 64.12 1k2h h ILE 12 Cb -0.14 0.55 -0.03 0.00 -3.07 0.00 0.00 36.82 34.13 1k2h h ILE 12 CO -0.08 0.27 0.22 -1.13 -0.69 0.00 0.00 178.15 176.74 1k2h h ASN 13 N 0.83 0.85 0.04 1.72 -1.24 -1.37 -3.01 115.58 113.40 1k2h h ASN 13 Ca 0.20 -0.18 -0.15 0.00 0.71 0.00 0.00 56.30 56.88 1k2h h ASN 13 Cb 0.17 -0.22 -0.01 0.00 0.73 0.00 0.00 38.32 38.99 1k2h h ASN 13 CO -0.02 0.80 -0.51 0.58 -1.29 0.00 0.00 177.43 176.99 1k2h h VAL 14 N 0.84 1.32 -0.77 2.57 2.07 -1.32 -2.91 116.25 118.06 1k2h h VAL 14 Ca 0.20 -1.75 0.02 0.00 0.82 0.00 0.00 66.70 65.99 1k2h h VAL 14 Cb 0.23 1.73 -0.04 0.00 -1.52 0.00 0.00 31.29 31.70 1k2h h VAL 14 CO -0.01 0.54 0.51 -0.26 0.02 0.00 0.00 177.57 178.37 1k2h h PHE 15 N 0.41 0.93 -1.00 1.57 -1.00 -1.34 -0.56 116.94 115.95 1k2h h PHE 15 Ca 0.02 0.02 0.01 0.00 2.81 0.00 0.00 57.97 60.83 1k2h h PHE 15 Cb 1.04 -0.31 -0.05 0.00 3.61 0.00 0.00 35.95 40.24 1k2h h PHE 15 CO 0.04 0.56 0.66 1.25 -1.61 0.00 0.00 178.31 179.21 1k2h h HIS 16 N 0.98 1.26 0.14 -0.55 2.76 -1.38 0.37 115.15 118.72 1k2h h HIS 16 Ca 0.30 0.03 0.02 0.00 -2.20 0.00 0.00 60.37 58.51 1k2h h HIS 16 Cb -0.02 -0.43 -0.04 0.00 1.55 0.00 0.00 27.41 28.47 1k2h h HIS 16 CO -0.00 0.79 -0.41 0.00 -1.30 0.00 0.00 177.93 177.01 1k2h h ALA 17 N 1.37 -0.75 -0.07 5.26 0.00 -1.03 2.75 119.26 126.79 1k2h h ALA 17 Ca 0.37 -0.08 -0.25 0.00 0.00 0.00 0.00 54.91 54.95 1k2h h ALA 17 Cb -0.16 0.69 0.02 0.00 0.00 0.00 0.00 17.79 18.34 1k2h h ALA 17 CO -0.08 -0.99 -0.92 0.45 0.00 0.00 0.00 179.25 177.72 1k2h h HIS 18 N -0.66 1.07 -0.40 0.00 3.86 -1.50 -3.28 115.15 114.23 1k2h h HIS 18 Ca 0.02 -0.53 -0.15 0.00 -1.16 0.00 0.00 60.37 58.55 1k2h h HIS 18 Cb 0.68 -0.14 -0.01 0.00 1.06 0.00 0.00 27.41 29.00 1k2h h HIS 18 CO -0.35 1.37 -0.34 0.77 0.86 0.00 0.00 177.93 180.23 1k2h h SER 19 N 0.47 0.99 -0.99 2.45 0.02 -0.05 -2.95 113.55 113.48 1k2h h SER 19 Ca -0.09 -0.43 0.22 0.00 -0.84 0.00 0.00 61.79 60.65 1k2h h SER 19 Cb 1.56 -0.28 -0.09 0.00 0.14 0.00 0.00 62.40 63.74 1k2h h SER 19 CO 0.18 1.22 0.63 1.23 -1.14 0.00 0.00 176.83 178.95 1k2h h GLY 20 N 0.82 1.34 1.97 -3.77 0.00 0.48 1.71 103.07 105.62 1k2h h GLY 20 Ca 0.07 -0.26 0.00 0.00 0.00 0.00 0.00 47.33 47.14 1k2h h GLY 20 CO 0.09 -0.07 0.00 1.17 0.00 0.00 0.00 176.54 177.72 1k2h n LYS 21 N -4.65 0.02 -3.23 4.80 3.00 -1.12 -4.70 118.16 112.29 1k2h n LYS 21 Ca 0.23 0.13 -0.38 0.00 -0.00 0.00 0.00 58.31 58.29 1k2h n LYS 21 Cb 0.71 -1.50 -0.06 0.00 0.00 0.00 0.00 35.03 34.18 1k2h n LYS 21 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.40 175.40 1k2h s GLU 22 N -2.97 4.21 0.27 1.64 2.56 0.58 -4.96 118.70 120.03 1k2h s GLU 22 Ca 0.11 0.76 -0.02 0.00 0.00 0.00 0.00 54.97 55.82 1k2h s GLU 22 Cb 0.14 -3.14 0.41 0.00 2.00 0.00 0.00 34.13 33.54 1k2h s GLU 22 CO 0.39 0.57 1.88 0.78 -0.56 0.00 0.00 175.26 178.33 1k2h h GLY 23 N 4.21 1.53 -4.37 -1.50 0.00 -1.84 -3.40 103.07 97.69 1k2h h GLY 23 Ca -0.49 -0.48 -0.58 0.00 0.00 0.00 0.00 47.33 45.79 1k2h h GLY 23 CO 0.64 0.34 -0.16 0.99 0.00 0.00 0.00 176.54 178.35 1k2h s ASP 24 N -5.91 6.75 0.36 0.19 1.01 -1.26 -4.98 116.67 112.83 1k2h s ASP 24 Ca -0.12 0.95 0.12 0.00 0.71 0.00 0.00 52.55 54.20 1k2h s ASP 24 Cb 0.20 -2.24 0.68 0.00 1.01 0.00 0.00 42.92 42.58 1k2h s ASP 24 CO 0.81 0.15 1.81 0.11 0.21 0.00 0.00 175.17 178.26 1k2h h LYS 25 N 3.70 0.02 -6.56 8.23 6.56 -1.85 -3.45 116.57 123.23 1k2h h LYS 25 Ca -0.49 -0.01 -0.46 0.00 -1.06 0.00 0.00 60.65 58.63 1k2h h LYS 25 Cb 1.19 -0.00 0.24 0.00 -0.57 0.00 0.00 32.23 33.09 1k2h h LYS 25 CO 0.66 0.40 -1.37 0.66 -2.06 0.00 0.00 179.45 177.74 1k2h n TYR 26 N -4.08 -1.42 0.00 -1.35 4.01 -1.26 -4.79 117.16 108.27 1k2h n TYR 26 Ca -0.02 0.23 0.00 0.00 -0.16 0.00 0.00 57.90 57.95 1k2h n TYR 26 Cb 0.42 -1.53 0.00 0.00 -0.31 0.00 0.00 39.34 37.92 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 -1.25 0.00 -3.14 -0.72 3.00 -0.59 -4.77 118.16 110.69 1k2h n LYS 27 Ca 0.00 0.08 0.00 0.00 -0.00 0.00 0.00 58.31 58.39 1k2h n LYS 27 Cb 0.65 -0.73 0.00 0.00 0.00 0.00 0.00 35.03 34.94 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 -0.31 0.00 -4.66 3.14 -0.00 -1.17 -4.50 117.00 109.49 1k2h n LEU 28 Ca 0.00 0.00 -0.38 0.00 -0.00 0.00 0.00 56.01 55.63 1k2h n LEU 28 Cb 0.00 0.00 0.05 0.00 -0.00 0.00 0.00 43.42 43.47 1k2h n LEU 28 CO 0.00 0.00 0.70 -1.54 -0.00 0.00 0.00 177.39 176.55 1k2h n SER 29 N 0.41 1.43 -0.31 1.45 3.41 -1.26 -2.16 113.62 116.59 1k2h n SER 29 Ca 0.00 0.86 -0.04 0.00 -0.26 0.00 0.00 58.87 59.44 1k2h n SER 29 Cb 0.00 -1.45 0.08 0.00 -0.26 0.00 0.00 64.21 62.58 1k2h n SER 29 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1k2h h LYS 30 N 0.76 1.11 0.43 4.33 1.79 -1.59 0.12 116.57 123.52 1k2h h LYS 30 Ca -0.49 -0.07 -0.02 0.00 -2.18 0.00 0.00 60.65 57.89 1k2h h LYS 30 Cb 1.35 -0.25 0.00 0.00 -1.58 0.00 0.00 32.23 31.75 1k2h h LYS 30 CO 0.53 0.73 -0.21 0.87 -1.08 0.00 0.00 179.45 180.29 1k2h h LYS 31 N 1.14 -0.56 -0.73 3.15 1.79 -1.75 -2.45 116.57 117.15 1k2h h LYS 31 Ca 0.31 0.04 -0.07 0.00 -2.18 0.00 0.00 60.65 58.75 1k2h h LYS 31 Cb -0.13 0.13 -0.03 0.00 -1.58 0.00 0.00 32.23 30.61 1k2h h LYS 31 CO -0.07 -0.35 0.20 1.49 -1.08 0.00 0.00 179.45 179.65 1k2h h GLU 32 N -0.63 1.16 -0.89 3.15 4.57 -1.86 -2.25 114.58 117.83 1k2h h GLU 32 Ca -0.06 -0.27 0.24 0.00 -1.18 0.00 0.00 59.36 58.09 1k2h h GLU 32 Cb 0.47 -0.16 -0.15 0.00 -0.16 0.00 0.00 28.75 28.76 1k2h h GLU 32 CO 0.10 1.00 0.22 1.25 -1.18 0.00 0.00 179.01 180.40 1k2h h LEU 33 N 1.10 -0.04 -1.04 1.64 5.85 -0.50 0.96 115.31 123.29 1k2h h LEU 33 Ca 0.23 0.21 0.01 0.00 0.84 0.00 0.00 57.88 59.17 1k2h h LEU 33 Cb 0.35 0.29 -0.05 0.00 0.37 0.00 0.00 40.66 41.61 1k2h h LEU 33 CO -0.00 -0.18 0.65 0.50 -0.34 0.00 0.00 178.44 179.07 1k2h h LYS 34 N 0.18 1.29 -0.47 1.25 1.63 -0.94 -1.07 116.57 118.45 1k2h h LYS 34 Ca 0.56 -0.08 0.00 0.00 -0.85 0.00 0.00 60.65 60.29 1k2h h LYS 34 Cb 1.14 -0.29 -0.02 0.00 -0.60 0.00 0.00 32.23 32.46 1k2h h LYS 34 CO -0.68 0.85 0.31 -0.44 -3.45 0.00 0.00 179.45 176.05 1k2h h ASP 35 N 1.33 0.54 0.33 4.20 3.32 1.00 -1.20 116.42 125.94 1k2h h ASP 35 Ca 0.36 -0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.38 1k2h h ASP 35 Cb -0.15 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.26 1k2h h ASP 35 CO -0.08 0.39 -0.16 -0.07 -1.72 0.00 0.00 179.24 177.61 1k2h h LEU 36 N 0.64 -0.37 -0.08 1.55 4.07 -0.58 -2.74 115.31 117.81 1k2h h LEU 36 Ca 0.17 -0.17 0.00 0.00 0.08 0.00 0.00 57.88 57.97 1k2h h LEU 36 Cb -0.07 0.10 -0.00 0.00 1.08 0.00 0.00 40.66 41.76 1k2h h LEU 36 CO -0.04 0.07 0.05 -0.07 -1.08 0.00 0.00 178.44 177.38 1k2h h LEU 37 N -0.94 0.09 -2.61 1.67 3.38 -1.33 -0.59 115.31 114.99 1k2h h LEU 37 Ca -0.04 -0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.93 1k2h h LEU 37 Cb 0.52 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.24 1k2h h LEU 37 CO 0.07 0.07 0.11 -0.61 0.09 0.00 0.00 178.44 178.16 1k2h h GLN 38 N 0.11 0.00 0.03 1.13 4.15 -1.33 -1.53 115.11 117.66 1k2h h GLN 38 Ca 0.03 0.00 -0.32 0.00 0.77 0.00 0.00 58.65 59.13 1k2h h GLN 38 Cb -0.01 0.00 -0.05 0.00 0.21 0.00 0.00 27.48 27.63 1k2h h GLN 38 CO -0.01 0.00 -1.90 2.41 -1.93 0.00 0.00 178.83 177.40 1k2h n THR 39 N -3.22 1.61 1.35 2.39 -1.04 -0.45 -4.02 114.28 110.91 1k2h n THR 39 Ca -0.02 -0.76 0.14 0.00 -2.04 0.00 0.00 64.05 61.37 1k2h n THR 39 Cb 0.18 -1.13 0.67 0.00 -1.82 0.00 0.00 70.33 68.22 1k2h n THR 39 CO 0.00 0.00 0.00 -1.84 -0.64 0.00 0.00 175.07 172.59 1k2h n GLU 40 N -3.11 0.43 -2.28 -2.82 0.28 -0.36 -3.67 120.64 109.12 1k2h n GLU 40 Ca -0.24 -0.07 -0.30 0.00 -0.16 0.00 0.00 57.16 56.39 1k2h n GLU 40 Cb 1.06 -1.50 0.01 0.00 1.43 0.00 0.00 31.44 32.45 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 -1.22 5.42 -0.36 -1.84 4.77 -0.82 -4.82 117.00 118.14 1k2h n LEU 41 Ca 0.13 -5.06 0.09 0.00 -0.03 0.00 0.00 56.01 51.14 1k2h n LEU 41 Cb 0.27 -0.59 0.27 0.00 -2.33 0.00 0.00 43.42 41.03 1k2h n LEU 41 CO 0.24 2.10 1.22 -1.28 -1.33 0.00 0.00 177.39 178.34 1k2h h SER 42 N 2.61 0.87 0.00 -1.43 0.87 -1.75 1.20 113.55 115.92 1k2h h SER 42 Ca 0.37 0.07 0.00 0.00 -1.23 0.00 0.00 61.79 61.00 1k2h h SER 42 Cb 0.79 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 62.65 1k2h h SER 42 CO 0.99 0.41 0.00 -1.54 -0.53 0.00 0.00 176.83 176.16 1k2h n SER 43 N -4.68 0.36 -0.16 6.23 3.41 -1.26 -2.73 113.62 114.79 1k2h n SER 43 Ca 0.20 0.67 -0.06 0.00 -0.26 0.00 0.00 58.87 59.42 1k2h n SER 43 Cb 0.43 -0.71 -0.00 0.00 -0.26 0.00 0.00 64.21 63.67 1k2h n SER 43 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 1k2h h PHE 44 N 0.00 -0.88 0.00 7.33 3.57 0.11 2.01 116.94 129.09 1k2h h PHE 44 Ca 0.00 0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.56 1k2h h PHE 44 Cb 0.00 0.46 0.00 0.00 2.79 0.00 0.00 35.95 39.20 1k2h h PHE 44 CO 0.00 -0.37 0.00 1.47 -2.23 0.00 0.00 178.31 177.18 1k2h n LEU 45 N -5.42 0.00 -0.32 0.59 -0.00 -1.10 -2.43 117.00 108.32 1k2h n LEU 45 Ca 0.03 0.30 -0.04 0.00 -0.00 0.00 0.00 56.01 56.30 1k2h n LEU 45 Cb 0.34 -0.30 0.08 0.00 -0.00 0.00 0.00 43.42 43.54 1k2h n LEU 45 CO 0.04 -0.22 1.20 -2.24 -0.00 0.00 0.00 177.39 176.17 1k2h h ASP 46 N 0.00 1.02 0.00 1.45 2.03 0.31 -3.39 116.42 117.84 1k2h h ASP 46 Ca 0.00 -0.06 -0.21 0.00 -0.73 0.00 0.00 57.03 56.03 1k2h h ASP 46 Cb 0.08 -0.26 -0.14 0.00 -0.83 0.00 0.00 39.33 38.18 1k2h h ASP 46 CO 0.00 0.78 -0.44 1.33 -1.03 0.00 0.00 179.24 179.88 1k2h n VAL 47 N -4.44 0.00 -1.94 4.15 0.24 -1.02 -5.11 118.33 110.22 1k2h n VAL 47 Ca 0.09 -1.42 -0.42 0.00 -2.04 0.00 0.00 64.34 60.55 1k2h n VAL 47 Cb 0.05 1.46 -0.03 0.00 -1.47 0.00 0.00 33.84 33.85 1k2h n VAL 47 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1k2h s GLN 48 N 0.57 4.02 0.00 7.34 1.03 -1.18 -4.59 119.66 126.86 1k2h s GLN 48 Ca 0.30 2.15 0.00 0.00 0.04 0.00 0.00 55.36 57.85 1k2h s GLN 48 Cb 0.24 -4.06 0.00 0.00 0.03 0.00 0.00 33.01 29.22 1k2h s GLN 48 CO -0.20 -1.05 0.00 1.63 -2.54 0.00 0.00 175.29 173.13 1k2h n LYS 49 N 7.43 0.00 -3.02 9.60 5.02 0.99 -4.72 118.16 133.46 1k2h n LYS 49 Ca 0.19 0.20 -0.45 0.00 -2.02 0.00 0.00 58.31 56.23 1k2h n LYS 49 Cb 0.43 -0.64 -0.03 0.00 -0.02 0.00 0.00 35.03 34.77 1k2h n LYS 49 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1k2h s ASP 50 N -2.81 6.61 0.39 4.39 1.01 -1.10 -4.80 116.67 120.35 1k2h s ASP 50 Ca 0.00 -2.09 0.28 0.00 0.71 0.00 0.00 52.55 51.45 1k2h s ASP 50 Cb 0.00 -2.35 1.17 0.00 1.01 0.00 0.00 42.92 42.74 1k2h s ASP 50 CO 0.00 -0.98 1.83 0.00 0.21 0.00 0.00 175.17 176.24 1k2h h ALA 51 N 8.67 1.00 -0.38 5.23 0.00 -1.84 -2.51 119.26 129.43 1k2h h ALA 51 Ca 0.10 0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.84 1k2h h ALA 51 Cb 1.03 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 1k2h h ALA 51 CO 1.03 0.00 -0.40 -0.44 0.00 0.00 0.00 179.25 179.44 1k2h h ASP 52 N 0.00 1.00 0.31 0.00 3.32 -1.98 -0.34 116.42 118.74 1k2h h ASP 52 Ca 0.00 -0.47 -0.02 0.00 0.02 0.00 0.00 57.03 56.56 1k2h h ASP 52 Cb 0.42 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.69 1k2h h ASP 52 CO 0.00 1.27 -0.15 0.00 -1.72 0.00 0.00 179.24 178.64 1k2h h ALA 53 N 0.76 -0.42 -0.79 3.45 0.00 -1.85 -1.56 119.26 118.86 1k2h h ALA 53 Ca 0.06 -0.13 0.07 0.00 0.00 0.00 0.00 54.91 54.91 1k2h h ALA 53 Cb 1.00 0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.90 1k2h h ALA 53 CO 0.10 -0.67 0.52 0.28 0.00 0.00 0.00 179.25 179.47 1k2h h VAL 54 N -0.54 1.01 -1.00 0.00 2.07 -1.56 -1.22 116.25 115.01 1k2h h VAL 54 Ca -0.04 -0.28 0.01 0.00 0.82 0.00 0.00 66.70 67.21 1k2h h VAL 54 Cb 0.40 0.12 -0.05 0.00 -1.52 0.00 0.00 31.29 30.24 1k2h h VAL 54 CO 0.07 0.15 0.66 -0.78 0.02 0.00 0.00 177.57 177.69 1k2h h ASP 55 N 0.82 1.15 -0.61 0.57 1.82 -0.46 -1.89 116.42 117.82 1k2h h ASP 55 Ca 0.35 -0.03 -0.10 0.00 -0.39 0.00 0.00 57.03 56.85 1k2h h ASP 55 Cb 0.30 -0.29 -0.02 0.00 0.68 0.00 0.00 39.33 39.99 1k2h h ASP 55 CO -0.12 0.84 -0.00 0.50 -1.61 0.00 0.00 179.24 178.84 1k2h h LYS 56 N 1.36 1.09 -0.64 0.28 3.64 -0.26 -2.84 116.57 119.21 1k2h h LYS 56 Ca 0.37 -0.35 -0.01 0.00 -1.27 0.00 0.00 60.65 59.39 1k2h h LYS 56 Cb -0.15 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 31.54 1k2h h LYS 56 CO -0.08 1.06 0.38 0.82 -2.27 0.00 0.00 179.45 179.36 1k2h h ILE 57 N 0.99 1.19 0.00 2.00 2.04 -0.95 -1.86 117.51 120.92 1k2h h ILE 57 Ca 0.17 -0.43 -0.04 0.00 1.00 0.00 0.00 64.86 65.56 1k2h h ILE 57 Cb 0.57 0.32 -0.01 0.00 -0.74 0.00 0.00 36.82 36.96 1k2h h ILE 57 CO 0.03 0.20 -0.21 -0.03 0.00 0.00 0.00 178.15 178.14 1k2h h MET 58 N 0.87 0.00 -0.80 2.37 4.05 -1.24 -2.72 114.93 117.46 1k2h h MET 58 Ca 0.23 0.00 -0.05 0.00 -0.28 0.00 0.00 59.70 59.60 1k2h h MET 58 Cb -0.01 0.00 -0.04 0.00 -0.80 0.00 0.00 31.60 30.75 1k2h h MET 58 CO -0.04 0.21 0.32 -0.22 0.23 0.00 0.00 176.91 177.40 1k2h h LYS 59 N 0.00 1.20 -0.35 0.39 3.64 -1.09 -1.29 116.57 119.07 1k2h h LYS 59 Ca -0.00 -0.22 -0.17 0.00 -1.27 0.00 0.00 60.65 58.99 1k2h h LYS 59 Cb 0.50 -0.19 -0.00 0.00 -0.41 0.00 0.00 32.23 32.13 1k2h h LYS 59 CO 0.03 0.97 -0.46 0.93 -2.27 0.00 0.00 179.45 178.65 1k2h h GLU 60 N 1.17 0.92 0.00 1.90 5.08 -1.43 -1.35 114.58 120.86 1k2h h GLU 60 Ca 0.27 -0.52 -0.04 0.00 -1.00 0.00 0.00 59.36 58.06 1k2h h GLU 60 Cb 0.22 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 1k2h h GLU 60 CO -0.02 1.17 -0.18 -0.07 -1.00 0.00 0.00 179.01 178.91 1k2h h LEU 61 N 0.73 0.00 0.09 1.33 3.38 -1.46 0.53 115.31 119.91 1k2h h LEU 61 Ca 0.04 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.68 1k2h h LEU 61 Cb 1.06 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.78 1k2h h LEU 61 CO 0.11 0.18 -1.80 -0.78 0.09 0.00 0.00 178.44 176.24 1k2h h ASP 62 N 0.00 0.30 1.10 -0.43 1.82 -1.09 0.11 116.42 118.23 1k2h h ASP 62 Ca -0.00 -0.59 -0.17 0.00 -0.39 0.00 0.00 57.03 55.88 1k2h h ASP 62 Cb 0.60 -0.10 -0.03 0.00 0.68 0.00 0.00 39.33 40.48 1k2h h ASP 62 CO 0.02 1.52 -0.94 1.05 -1.61 0.00 0.00 179.24 179.29 1k2h h GLU 63 N 0.05 0.00 0.00 0.28 -0.00 -1.10 -3.33 114.58 110.48 1k2h h GLU 63 Ca -0.34 0.00 -0.06 0.00 -0.00 0.00 0.00 59.36 58.95 1k2h h GLU 63 Cb 2.03 0.00 -0.14 0.00 -0.00 0.00 0.00 28.75 30.64 1k2h h GLU 63 CO 0.11 0.62 -0.67 -1.71 -0.00 0.00 0.00 179.01 177.36 1k2h n ASN 64 N -3.19 1.43 -0.13 3.06 5.15 0.18 -4.81 115.26 116.96 1k2h n ASN 64 Ca -0.02 -3.12 0.27 0.00 -0.60 0.00 0.00 54.58 51.11 1k2h n ASN 64 Cb 0.85 -0.43 0.72 0.00 -0.53 0.00 0.00 39.78 40.39 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 0.91 0.00 -0.04 8.20 0.00 -0.85 1.24 103.07 112.54 1k2h h GLY 65 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.25 1k2h h GLY 65 CO 0.04 0.00 0.00 1.22 0.00 0.00 0.00 176.54 177.80 1k2h n ASP 66 N -4.07 1.05 -3.16 0.19 8.00 -1.26 -3.05 116.55 114.25 1k2h n ASP 66 Ca 0.17 -1.36 0.00 0.00 0.71 0.00 0.00 54.79 54.31 1k2h n ASP 66 Cb 0.93 -0.00 0.00 0.00 -0.02 0.00 0.00 41.12 42.03 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 1.12 -0.93 3.26 0.44 0.00 0.43 -4.87 105.19 104.63 1k2h n GLY 67 Ca 0.20 -1.53 -0.10 0.00 0.00 0.00 0.00 46.02 44.60 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 1.06 0.04 1.61 2.02 -1.26 -3.22 118.70 118.95 1k2h s GLU 68 Ca 0.00 -1.28 -0.02 0.00 0.02 0.00 0.00 54.97 53.69 1k2h s GLU 68 Cb 0.00 0.32 -0.03 0.00 0.10 0.00 0.00 34.13 34.52 1k2h s GLU 68 CO 0.00 -0.35 0.01 0.14 0.02 0.00 0.00 175.26 175.08 1k2h s VAL 69 N -4.00 0.16 0.00 2.63 -7.23 -0.92 -4.76 120.40 106.29 1k2h s VAL 69 Ca 0.20 -1.35 0.00 0.00 -1.81 0.00 0.00 61.98 59.01 1k2h s VAL 69 Cb 0.05 -1.00 0.00 0.00 0.56 0.00 0.00 36.38 35.99 1k2h s VAL 69 CO 0.01 -0.75 0.00 -0.90 -0.31 0.00 0.00 175.10 173.15 1k2h n ASP 70 N 0.69 0.88 -0.21 4.85 5.75 -1.26 -1.55 116.55 125.70 1k2h n ASP 70 Ca -0.18 0.00 -0.06 0.00 -0.01 0.00 0.00 54.79 54.54 1k2h n ASP 70 Cb 0.59 0.00 0.04 0.00 -1.03 0.00 0.00 41.12 40.71 1k2h n ASP 70 CO 0.00 0.00 0.00 2.19 -0.11 0.00 0.00 177.20 179.28 1k2h h PHE 71 N 0.00 0.76 0.00 2.11 -5.15 -1.97 0.51 116.94 113.20 1k2h h PHE 71 Ca 0.00 0.02 -0.10 0.00 -0.20 0.00 0.00 57.97 57.69 1k2h h PHE 71 Cb 0.00 -0.26 -0.01 0.00 0.22 0.00 0.00 35.95 35.90 1k2h h PHE 71 CO 0.00 0.48 -0.48 0.37 -2.00 0.00 0.00 178.31 176.68 1k2h h GLN 72 N 0.82 0.00 0.24 6.09 4.15 -1.98 -0.46 115.11 123.96 1k2h h GLN 72 Ca 0.22 0.00 -0.34 0.00 0.77 0.00 0.00 58.65 59.30 1k2h h GLN 72 Cb -0.09 0.00 0.03 0.00 0.21 0.00 0.00 27.48 27.63 1k2h h GLN 72 CO -0.05 0.48 -1.57 0.93 -1.93 0.00 0.00 178.83 176.69 1k2h h GLU 73 N 0.00 0.50 -0.35 1.69 4.39 -1.79 -1.98 114.58 117.03 1k2h h GLU 73 Ca -0.00 -0.85 -0.16 0.00 0.34 0.00 0.00 59.36 58.68 1k2h h GLU 73 Cb 0.90 0.32 -0.01 0.00 -0.10 0.00 0.00 28.75 29.86 1k2h h GLU 73 CO 0.06 1.41 -0.41 0.35 -1.16 0.00 0.00 179.01 179.26 1k2h h PHE 74 N 0.13 1.06 -0.07 4.33 3.04 0.05 -1.83 116.94 123.65 1k2h h PHE 74 Ca -0.29 -0.33 -0.18 0.00 3.98 0.00 0.00 57.97 61.16 1k2h h PHE 74 Cb 2.15 -0.22 0.01 0.00 2.56 0.00 0.00 35.95 40.45 1k2h h PHE 74 CO 0.12 1.14 -0.66 0.28 -2.02 0.00 0.00 178.31 177.17 1k2h h VAL 75 N 0.71 1.35 -0.32 1.41 2.07 -1.17 -2.02 116.25 118.28 1k2h h VAL 75 Ca 0.05 -1.98 -0.18 0.00 0.82 0.00 0.00 66.70 65.42 1k2h h VAL 75 Cb 1.00 2.28 -0.00 0.00 -1.52 0.00 0.00 31.29 33.04 1k2h h VAL 75 CO 0.10 0.60 -0.50 0.58 0.02 0.00 0.00 177.57 178.36 1k2h h VAL 76 N 0.19 1.27 -0.08 2.57 2.07 -1.39 -2.31 116.25 118.56 1k2h h VAL 76 Ca -0.06 -1.68 -0.18 0.00 0.82 0.00 0.00 66.70 65.60 1k2h h VAL 76 Cb 1.32 1.55 -0.01 0.00 -1.52 0.00 0.00 31.29 32.64 1k2h h VAL 76 CO 0.13 0.55 -0.72 0.25 0.02 0.00 0.00 177.57 177.81 1k2h h LEU 77 N 0.70 0.47 -0.37 2.57 5.85 -1.42 -2.50 115.31 120.62 1k2h h LEU 77 Ca 0.03 -0.31 -0.17 0.00 0.84 0.00 0.00 57.88 58.27 1k2h h LEU 77 Cb 1.11 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 41.99 1k2h h LEU 77 CO 0.12 1.04 -0.42 0.58 -0.34 0.00 0.00 178.44 179.42 1k2h h VAL 78 N 0.27 1.27 -0.65 1.05 2.07 -1.34 -1.90 116.25 117.02 1k2h h VAL 78 Ca -0.03 -1.59 -0.05 0.00 0.82 0.00 0.00 66.70 65.85 1k2h h VAL 78 Cb 1.29 1.42 -0.03 0.00 -1.52 0.00 0.00 31.29 32.45 1k2h h VAL 78 CO 0.12 0.53 0.20 0.00 0.02 0.00 0.00 177.57 178.44 1k2h h ALA 79 N 0.76 1.12 -1.00 1.67 0.00 -1.41 -1.69 119.26 118.71 1k2h h ALA 79 Ca 0.05 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 54.76 1k2h h ALA 79 Cb 1.02 -0.26 -0.05 0.00 0.00 0.00 0.00 17.79 18.50 1k2h h ALA 79 CO 0.10 0.60 0.66 0.00 0.00 0.00 0.00 179.25 180.61 1k2h h ALA 80 N 1.25 1.27 -0.68 0.00 0.00 -1.16 -1.69 119.26 118.26 1k2h h ALA 80 Ca 0.21 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1k2h h ALA 80 Cb 0.28 -0.41 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 1k2h h ALA 80 CO -0.01 0.67 0.43 1.25 0.00 0.00 0.00 179.25 181.59 1k2h h LEU 81 N 1.36 0.80 -1.58 0.00 7.12 -0.50 -1.71 115.31 120.80 1k2h h LEU 81 Ca 0.37 -0.04 0.00 0.00 0.13 0.00 0.00 57.88 58.34 1k2h h LEU 81 Cb -0.15 -0.20 -0.02 0.00 -0.53 0.00 0.00 40.66 39.76 1k2h h LEU 81 CO -0.08 0.60 0.28 0.74 -0.13 0.00 0.00 178.44 179.86 1k2h h THR 82 N 0.92 1.11 -0.94 1.05 2.02 -0.86 -1.19 112.91 115.03 1k2h h THR 82 Ca 0.25 -0.20 0.15 0.00 0.77 0.00 0.00 66.41 67.38 1k2h h THR 82 Cb -0.07 0.48 -0.08 0.00 -1.74 0.00 0.00 68.15 66.74 1k2h h THR 82 CO -0.05 0.11 0.60 1.62 0.37 0.00 0.00 175.52 178.17 1k2h h VAL 83 N 0.58 0.82 0.00 3.16 3.04 -0.89 1.13 116.25 124.09 1k2h h VAL 83 Ca 0.16 -0.26 -0.03 0.00 -1.01 0.00 0.00 66.70 65.56 1k2h h VAL 83 Cb -0.07 -0.00 -0.00 0.00 -2.01 0.00 0.00 31.29 29.21 1k2h h VAL 83 CO -0.03 0.14 -0.13 0.00 -1.01 0.00 0.00 177.57 176.53 1k2h h ALA 84 N 1.59 1.05 -1.87 3.17 0.00 -1.23 -3.28 119.26 118.69 1k2h h ALA 84 Ca 0.49 -0.12 -0.47 0.00 0.00 0.00 0.00 54.91 54.80 1k2h h ALA 84 Cb 0.73 -0.02 -0.40 0.00 0.00 0.00 0.00 17.79 18.10 1k2h h ALA 84 CO -0.25 0.17 -1.14 0.00 0.00 0.00 0.00 179.25 178.02 1k2h n ASN 86 N 0.17 2.02 -4.65 0.00 5.15 0.27 -4.82 115.26 113.40 1k2h n ASN 86 Ca 0.23 -1.68 -0.43 0.00 -0.60 0.00 0.00 54.58 52.11 1k2h n ASN 86 Cb 0.66 -0.48 -0.01 0.00 -0.53 0.00 0.00 39.78 39.42 1k2h n ASN 86 CO 0.00 0.00 0.00 -0.46 1.40 0.00 0.00 177.26 178.20 1k2h n ASN 87 N 2.22 2.16 0.08 1.20 6.94 -1.26 -4.91 115.26 121.69 1k2h n ASN 87 Ca 0.07 1.20 0.00 0.00 -0.02 0.00 0.00 54.58 55.82 1k2h n ASN 87 Cb 0.26 -1.40 0.00 0.00 -2.36 0.00 0.00 39.78 36.27 1k2h n ASN 87 CO 0.00 0.00 0.00 0.33 -1.03 0.00 0.00 177.26 176.56 1k2h n PHE 88 N 0.28 -0.96 0.92 -2.53 7.35 -1.26 -4.83 117.46 116.43 1k2h n PHE 88 Ca 0.07 0.17 0.12 0.00 -0.76 0.00 0.00 57.45 57.05 1k2h n PHE 88 Cb 0.34 0.24 0.23 0.00 0.35 0.00 0.00 39.48 40.64 1k2h n PHE 88 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 1k2h n PHE 89 N -3.39 0.09 -1.20 -5.13 -0.00 -1.26 -4.19 117.46 102.38 1k2h n PHE 89 Ca 0.00 0.03 -0.22 0.00 -0.00 0.00 0.00 57.45 57.25 1k2h n PHE 89 Cb 0.00 -0.32 -0.01 0.00 -0.00 0.00 0.00 39.48 39.15 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 -1.61 1.60 -2.22 -5.13 8.01 -1.26 -4.96 117.44 111.86 1k2h n TRP 90 Ca 0.05 -1.98 -0.40 0.00 -1.31 0.00 0.00 57.50 53.86 1k2h n TRP 90 Cb 0.35 -1.19 -0.02 0.00 -2.01 0.00 0.00 31.31 28.44 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 -1.79 4.29 0.61 -0.99 -1.05 -1.26 -4.94 118.70 113.57 1k2h s GLU 91 Ca 0.47 2.04 -0.17 0.00 -0.15 0.00 0.00 54.97 57.15 1k2h s GLU 91 Cb 0.32 -2.96 -0.03 0.00 -0.44 0.00 0.00 34.13 31.03 1k2h s GLU 91 CO -0.11 -0.18 1.12 0.54 0.95 0.00 0.00 175.26 177.58 1k2h s ASN 92 N -0.75 5.37 0.00 0.83 6.03 -1.26 -5.15 114.94 120.01 1k2h s ASN 92 Ca 0.51 2.10 0.00 0.00 -1.03 0.00 0.00 52.86 54.44 1k2h s ASN 92 Cb -0.36 -2.57 0.00 0.00 -3.03 0.00 0.00 41.25 35.30 1k2h s ASN 92 CO 0.47 -1.45 0.02 -0.24 -2.03 0.00 0.00 177.10 173.86