#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 5.89 0.24 1.61 0.15 -1.26 -4.87 113.70 115.46 1k2h s SER 2 Ca 0.00 0.52 -0.06 0.00 0.70 0.00 0.00 55.95 57.10 1k2h s SER 2 Cb 0.00 -1.75 0.24 0.00 -1.71 0.00 0.00 66.02 62.80 1k2h s SER 2 CO 0.00 -0.73 1.89 -0.33 1.20 0.00 0.00 173.24 175.28 1k2h h GLU 3 N 0.27 1.29 0.16 5.44 5.08 -2.05 0.15 114.58 124.92 1k2h h GLU 3 Ca -0.46 -0.11 -0.01 0.00 -1.00 0.00 0.00 59.36 57.77 1k2h h GLU 3 Cb 1.24 -0.27 0.00 0.00 0.50 0.00 0.00 28.75 30.22 1k2h h GLU 3 CO 0.59 0.90 -0.08 1.25 -1.00 0.00 0.00 179.01 180.67 1k2h h LEU 4 N 1.31 -0.19 -1.01 1.33 5.85 -2.00 -2.79 115.31 117.81 1k2h h LEU 4 Ca 0.34 -0.35 0.01 0.00 0.84 0.00 0.00 57.88 58.72 1k2h h LEU 4 Cb -0.06 0.05 -0.05 0.00 0.37 0.00 0.00 40.66 40.96 1k2h h LEU 4 CO -0.06 0.36 0.67 -0.08 -0.34 0.00 0.00 178.44 178.98 1k2h h GLU 5 N -0.84 1.32 -1.00 1.25 4.57 -1.94 -2.13 114.58 115.81 1k2h h GLU 5 Ca -0.02 -0.08 0.01 0.00 -1.18 0.00 0.00 59.36 58.09 1k2h h GLU 5 Cb 0.53 -0.30 -0.05 0.00 -0.16 0.00 0.00 28.75 28.77 1k2h h GLU 5 CO 0.04 0.87 0.67 1.15 -1.18 0.00 0.00 179.01 180.56 1k2h h THR 6 N 1.36 1.26 -0.50 0.32 2.02 -0.75 -2.51 112.91 114.11 1k2h h THR 6 Ca 0.37 -0.47 -0.06 0.00 0.77 0.00 0.00 66.41 67.02 1k2h h THR 6 Cb -0.15 -0.22 -0.02 0.00 -1.74 0.00 0.00 68.15 66.02 1k2h h THR 6 CO -0.08 0.25 0.07 0.00 0.37 0.00 0.00 175.52 176.13 1k2h h ALA 7 N 1.37 0.66 -0.79 6.16 0.00 -1.11 -2.72 119.26 122.83 1k2h h ALA 7 Ca 0.37 -0.24 0.01 0.00 0.00 0.00 0.00 54.91 55.05 1k2h h ALA 7 Cb -0.16 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.41 1k2h h ALA 7 CO -0.08 0.40 0.52 1.98 0.00 0.00 0.00 179.25 182.07 1k2h h MET 8 N 0.70 1.05 -1.01 0.00 -1.53 -1.10 -1.79 114.93 111.25 1k2h h MET 8 Ca 0.15 -0.07 0.01 0.00 -3.44 0.00 0.00 59.70 56.35 1k2h h MET 8 Cb 0.41 -0.23 -0.05 0.00 -0.55 0.00 0.00 31.60 31.17 1k2h h MET 8 CO 0.01 0.70 0.67 1.49 0.14 0.00 0.00 176.91 179.92 1k2h h GLU 9 N 1.08 1.33 -0.96 0.39 4.81 -1.32 -1.97 114.58 117.93 1k2h h GLU 9 Ca 0.29 -0.08 0.01 0.00 -0.13 0.00 0.00 59.36 59.45 1k2h h GLU 9 Cb -0.12 -0.30 -0.05 0.00 0.63 0.00 0.00 28.75 28.92 1k2h h GLU 9 CO -0.06 0.88 0.64 1.15 -0.73 0.00 0.00 179.01 180.89 1k2h h THR 10 N 1.37 1.25 -1.00 0.32 2.02 -1.02 -2.43 112.91 113.42 1k2h h THR 10 Ca 0.37 -0.45 0.01 0.00 0.77 0.00 0.00 66.41 67.11 1k2h h THR 10 Cb -0.16 -0.17 -0.05 0.00 -1.74 0.00 0.00 68.15 66.03 1k2h h THR 10 CO -0.08 0.24 0.66 -0.07 0.37 0.00 0.00 175.52 176.64 1k2h h LEU 11 N 1.30 1.14 -0.52 2.58 3.38 -0.90 -2.25 115.31 120.05 1k2h h LEU 11 Ca 0.35 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.29 1k2h h LEU 11 Cb -0.15 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.29 1k2h h LEU 11 CO -0.08 0.83 0.31 0.40 0.09 0.00 0.00 178.44 179.99 1k2h h ILE 12 N 1.35 1.16 -0.88 1.22 2.04 -1.37 -2.40 117.51 118.64 1k2h h ILE 12 Ca 0.37 -0.38 0.00 0.00 1.00 0.00 0.00 64.86 65.85 1k2h h ILE 12 Cb -0.15 0.48 -0.04 0.00 -0.74 0.00 0.00 36.82 36.36 1k2h h ILE 12 CO -0.08 0.17 0.56 -1.13 0.00 0.00 0.00 178.15 177.67 1k2h h ASN 13 N 0.70 1.03 -0.09 1.72 -0.73 -1.29 -2.93 115.58 113.99 1k2h h ASN 13 Ca 0.19 -0.04 -0.18 0.00 1.87 0.00 0.00 56.30 58.13 1k2h h ASN 13 Cb 0.01 -0.26 -0.00 0.00 0.27 0.00 0.00 38.32 38.34 1k2h h ASN 13 CO -0.03 0.77 -0.60 0.58 -0.37 0.00 0.00 177.43 177.78 1k2h h VAL 14 N 1.20 1.30 -0.99 2.57 2.07 -1.25 -3.01 116.25 118.15 1k2h h VAL 14 Ca 0.32 -1.83 0.15 0.00 0.82 0.00 0.00 66.70 66.16 1k2h h VAL 14 Cb -0.10 1.78 -0.09 0.00 -1.52 0.00 0.00 31.29 31.36 1k2h h VAL 14 CO -0.07 0.58 0.62 -0.26 0.02 0.00 0.00 177.57 178.46 1k2h h PHE 15 N 0.52 1.06 -0.66 1.57 -1.00 -1.25 0.68 116.94 117.86 1k2h h PHE 15 Ca -0.00 0.03 0.01 0.00 2.81 0.00 0.00 57.97 60.82 1k2h h PHE 15 Cb 1.18 -0.33 -0.03 0.00 3.61 0.00 0.00 35.95 40.38 1k2h h PHE 15 CO 0.06 0.34 0.43 0.45 -1.61 0.00 0.00 178.31 177.99 1k2h h HIS 16 N 0.85 0.83 -0.17 -0.55 3.86 -1.45 0.47 115.15 118.99 1k2h h HIS 16 Ca 0.52 0.02 0.05 0.00 -1.16 0.00 0.00 60.37 59.80 1k2h h HIS 16 Cb 0.70 -0.28 -0.07 0.00 1.06 0.00 0.00 27.41 28.82 1k2h h HIS 16 CO -0.00 0.53 -0.40 0.00 0.86 0.00 0.00 177.93 178.91 1k2h h ALA 17 N 1.59 -0.52 0.00 2.45 0.00 0.41 2.81 119.26 125.99 1k2h h ALA 17 Ca 0.24 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.16 1k2h h ALA 17 Cb -0.10 0.77 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1k2h h ALA 17 CO -0.05 -0.89 -0.01 0.45 0.00 0.00 0.00 179.25 178.74 1k2h h HIS 18 N -0.45 0.01 -0.60 0.00 3.86 -1.44 -3.36 115.15 113.16 1k2h h HIS 18 Ca 0.09 -0.01 -0.10 0.00 -1.16 0.00 0.00 60.37 59.19 1k2h h HIS 18 Cb 0.61 -0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.05 1k2h h HIS 18 CO -0.49 1.00 -0.02 0.77 0.86 0.00 0.00 177.93 180.05 1k2h h SER 19 N -0.98 1.06 -0.82 2.45 0.02 0.01 -2.81 113.55 112.47 1k2h h SER 19 Ca -0.00 -0.31 0.24 0.00 -0.84 0.00 0.00 61.79 60.87 1k2h h SER 19 Cb 1.01 -0.29 -0.03 0.00 0.14 0.00 0.00 62.40 63.23 1k2h h SER 19 CO 0.00 1.12 0.77 1.23 -1.14 0.00 0.00 176.83 178.81 1k2h h GLY 20 N 0.97 0.00 1.85 -3.77 0.00 0.49 2.54 103.07 105.16 1k2h h GLY 20 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.50 1k2h h GLY 20 CO 0.03 0.00 0.00 1.17 0.00 0.00 0.00 176.54 177.74 1k2h n LYS 21 N -3.73 0.09 -3.82 4.80 3.00 -1.06 -4.63 118.16 112.82 1k2h n LYS 21 Ca 0.17 0.16 -0.37 0.00 -0.00 0.00 0.00 58.31 58.27 1k2h n LYS 21 Cb 1.05 -1.50 -0.06 0.00 0.00 0.00 0.00 35.03 34.52 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 -2.85 3.53 0.25 1.64 2.12 0.85 -4.99 118.70 119.26 1k2h s GLU 22 Ca 0.12 -0.04 -0.05 0.00 0.36 0.00 0.00 54.97 55.35 1k2h s GLU 22 Cb 0.12 -3.20 0.29 0.00 0.26 0.00 0.00 34.13 31.60 1k2h s GLU 22 CO 0.31 0.76 1.92 0.78 -0.54 0.00 0.00 175.26 178.49 1k2h h GLY 23 N 4.97 1.43 -3.91 -1.50 0.00 -1.82 -3.40 103.07 98.84 1k2h h GLY 23 Ca -0.54 -0.52 -0.51 0.00 0.00 0.00 0.00 47.33 45.76 1k2h h GLY 23 CO 0.59 0.49 0.27 0.99 0.00 0.00 0.00 176.54 178.88 1k2h s ASP 24 N -6.09 7.53 0.21 0.19 1.01 -1.26 -4.94 116.67 113.31 1k2h s ASP 24 Ca -0.13 1.81 0.25 0.00 0.71 0.00 0.00 52.55 55.19 1k2h s ASP 24 Cb 0.18 -2.56 0.88 0.00 1.01 0.00 0.00 42.92 42.44 1k2h s ASP 24 CO 0.82 0.18 1.76 0.29 0.21 0.00 0.00 175.17 178.43 1k2h n LYS 25 N 1.52 0.22 -1.08 8.23 5.02 -1.26 -4.81 118.16 126.00 1k2h n LYS 25 Ca -0.04 0.26 -0.32 0.00 -2.02 0.00 0.00 58.31 56.20 1k2h n LYS 25 Cb 0.48 -1.80 0.12 0.00 -0.02 0.00 0.00 35.03 33.81 1k2h n LYS 25 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 1k2h s TYR 26 N -3.16 1.99 0.00 2.13 2.02 -1.26 -4.90 117.35 114.17 1k2h s TYR 26 Ca 0.09 1.68 0.00 0.00 -0.37 0.00 0.00 57.07 58.47 1k2h s TYR 26 Cb 0.12 -3.31 0.00 0.00 -0.40 0.00 0.00 41.96 38.36 1k2h s TYR 26 CO 0.53 -2.49 0.00 1.17 -1.57 0.00 0.00 175.55 173.19 1k2h n LYS 27 N -3.56 0.00 -3.18 -0.62 3.00 -1.00 -4.91 118.16 107.90 1k2h n LYS 27 Ca 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.43 1k2h n LYS 27 Cb 0.52 -0.43 0.00 0.00 0.00 0.00 0.00 35.03 35.12 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 -4.49 3.14 -0.00 -1.15 -4.74 117.00 109.75 1k2h n LEU 28 Ca 0.00 0.00 -0.40 0.00 -0.00 0.00 0.00 56.01 55.61 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 0.16 -1.54 -0.00 0.00 0.00 177.39 176.01 1k2h n SER 29 N 0.53 -0.57 0.07 1.45 3.41 -1.26 -2.24 113.62 115.01 1k2h n SER 29 Ca 0.00 0.83 -0.13 0.00 -0.26 0.00 0.00 58.87 59.32 1k2h n SER 29 Cb 0.00 -1.19 -0.07 0.00 -0.26 0.00 0.00 64.21 62.69 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 0.60 -0.08 -0.56 4.33 1.57 -1.50 -1.45 116.57 119.47 1k2h h LYS 30 Ca -0.44 0.01 0.11 0.00 -1.87 0.00 0.00 60.65 58.45 1k2h h LYS 30 Cb 1.39 0.02 -0.08 0.00 0.08 0.00 0.00 32.23 33.63 1k2h h LYS 30 CO 0.50 -0.05 0.07 0.87 -0.57 0.00 0.00 179.45 180.27 1k2h h LYS 31 N -0.08 0.19 -0.49 3.15 1.79 -1.51 -0.85 116.57 118.76 1k2h h LYS 31 Ca -0.01 -0.01 -0.13 0.00 -2.18 0.00 0.00 60.65 58.32 1k2h h LYS 31 Cb 0.07 -0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 30.66 1k2h h LYS 31 CO 0.01 0.13 -0.21 1.49 -1.08 0.00 0.00 179.45 179.79 1k2h h GLU 32 N 0.20 1.01 -0.73 3.15 4.57 -1.81 -2.91 114.58 118.06 1k2h h GLU 32 Ca 0.29 -0.43 0.17 0.00 -1.18 0.00 0.00 59.36 58.20 1k2h h GLU 32 Cb 0.43 -0.04 -0.12 0.00 -0.16 0.00 0.00 28.75 28.87 1k2h h GLU 32 CO -0.41 1.11 0.11 1.25 -1.18 0.00 0.00 179.01 179.88 1k2h h LEU 33 N 0.87 -0.14 -0.57 1.64 5.85 -0.05 0.33 115.31 123.24 1k2h h LEU 33 Ca 0.11 0.17 -0.11 0.00 0.84 0.00 0.00 57.88 58.88 1k2h h LEU 33 Cb 0.79 0.26 -0.02 0.00 0.37 0.00 0.00 40.66 42.06 1k2h h LEU 33 CO 0.07 -0.10 -0.12 0.50 -0.34 0.00 0.00 178.44 178.45 1k2h h LYS 34 N 0.19 1.02 -0.84 1.25 1.63 -1.26 -2.95 116.57 115.61 1k2h h LYS 34 Ca 0.41 -0.38 0.01 0.00 -0.85 0.00 0.00 60.65 59.84 1k2h h LYS 34 Cb 0.72 -0.06 -0.04 0.00 -0.60 0.00 0.00 32.23 32.25 1k2h h LYS 34 CO -0.57 1.06 0.56 -0.44 -3.45 0.00 0.00 179.45 176.61 1k2h h ASP 35 N 0.90 0.97 0.34 4.20 3.32 -0.78 -1.46 116.42 123.91 1k2h h ASP 35 Ca 0.14 -0.03 -0.02 0.00 0.02 0.00 0.00 57.03 57.15 1k2h h ASP 35 Cb 0.68 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.99 1k2h h ASP 35 CO 0.05 0.70 -0.17 -0.07 -1.72 0.00 0.00 179.24 178.04 1k2h h LEU 36 N 1.14 -0.39 -0.29 1.55 3.38 -1.14 -2.57 115.31 116.99 1k2h h LEU 36 Ca 0.31 -0.16 -0.17 0.00 0.09 0.00 0.00 57.88 57.95 1k2h h LEU 36 Cb -0.13 0.10 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 1k2h h LEU 36 CO -0.07 0.02 -0.46 0.17 0.09 0.00 0.00 178.44 178.19 1k2h h LEU 37 N -0.89 0.91 -2.13 1.67 8.10 -1.51 -2.50 115.31 118.97 1k2h h LEU 37 Ca -0.05 -0.52 -0.00 0.00 0.11 0.00 0.00 57.88 57.43 1k2h h LEU 37 Cb 0.53 -0.26 -0.00 0.00 -0.44 0.00 0.00 40.66 40.49 1k2h h LEU 37 CO 0.08 1.26 -0.00 -0.61 -4.11 0.00 0.00 178.44 175.05 1k2h h GLN 38 N 0.60 0.00 0.04 0.17 4.15 -1.38 0.17 115.11 118.86 1k2h h GLN 38 Ca 0.02 0.00 -0.28 0.00 0.77 0.00 0.00 58.65 59.17 1k2h h GLN 38 Cb 1.07 0.00 0.02 0.00 0.21 0.00 0.00 27.48 28.78 1k2h h GLN 38 CO 0.11 0.00 -1.11 1.15 -1.93 0.00 0.00 178.83 177.04 1k2h h THR 39 N 0.00 1.28 0.00 2.39 2.02 -1.16 -2.99 112.91 114.45 1k2h h THR 39 Ca -0.00 -2.31 0.00 0.00 0.77 0.00 0.00 66.41 64.87 1k2h h THR 39 Cb 0.00 2.48 0.00 0.00 -1.74 0.00 0.00 68.15 68.89 1k2h h THR 39 CO 0.00 0.71 -0.05 -0.08 0.37 0.00 0.00 175.52 176.47 1k2h h GLU 40 N 0.36 0.00 -0.65 6.66 4.57 -0.94 -3.19 114.58 121.39 1k2h h GLU 40 Ca -0.15 0.00 -0.37 0.00 -1.18 0.00 0.00 59.36 57.66 1k2h h GLU 40 Cb 1.77 0.00 -0.22 0.00 -0.16 0.00 0.00 28.75 30.14 1k2h h GLU 40 CO 0.22 0.00 0.18 1.28 -1.18 0.00 0.00 179.01 179.50 1k2h n LEU 41 N -2.47 5.39 -0.38 1.64 4.77 -0.02 -4.69 117.00 121.24 1k2h n LEU 41 Ca 0.05 -3.90 -0.02 0.00 -0.03 0.00 0.00 56.01 52.11 1k2h n LEU 41 Cb 0.46 -0.71 0.11 0.00 -2.33 0.00 0.00 43.42 40.95 1k2h n LEU 41 CO 0.32 1.32 1.30 0.28 -1.33 0.00 0.00 177.39 179.27 1k2h h SER 42 N 1.23 1.16 -0.70 -1.43 0.02 -1.51 -1.71 113.55 110.60 1k2h h SER 42 Ca 0.40 -0.03 0.01 0.00 -0.84 0.00 0.00 61.79 61.33 1k2h h SER 42 Cb 1.89 -0.29 -0.03 0.00 0.14 0.00 0.00 62.40 64.10 1k2h h SER 42 CO 0.78 0.84 0.46 0.28 -1.14 0.00 0.00 176.83 178.05 1k2h h SER 43 N 1.36 0.81 -1.01 3.07 0.02 -1.89 -0.25 113.55 115.66 1k2h h SER 43 Ca 0.37 -0.02 0.01 0.00 -0.84 0.00 0.00 61.79 61.31 1k2h h SER 43 Cb -0.15 -0.20 -0.05 0.00 0.14 0.00 0.00 62.40 62.13 1k2h h SER 43 CO -0.08 0.59 0.67 -0.26 -1.14 0.00 0.00 176.83 176.60 1k2h h PHE 44 N 0.95 1.27 0.00 3.45 0.04 -1.68 0.42 116.94 121.39 1k2h h PHE 44 Ca 0.26 0.03 0.00 0.00 2.80 0.00 0.00 57.97 61.06 1k2h h PHE 44 Cb -0.11 -0.43 0.00 0.00 2.20 0.00 0.00 35.95 37.61 1k2h h PHE 44 CO 0.00 0.80 0.00 1.28 -0.60 0.00 0.00 178.31 179.79 1k2h n LEU 45 N -4.38 0.00 -0.35 1.54 7.99 -0.13 -2.90 117.00 118.77 1k2h n LEU 45 Ca 0.12 0.17 0.06 0.00 -0.01 0.00 0.00 56.01 56.35 1k2h n LEU 45 Cb 0.01 -0.17 0.23 0.00 -0.11 0.00 0.00 43.42 43.38 1k2h n LEU 45 CO 0.37 -0.11 1.25 -0.78 -1.51 0.00 0.00 177.39 176.61 1k2h h ASP 46 N 0.00 0.94 -2.42 -1.43 1.82 0.13 -3.33 116.42 112.13 1k2h h ASP 46 Ca 0.00 0.03 -0.55 0.00 -0.39 0.00 0.00 57.03 56.12 1k2h h ASP 46 Cb 0.07 -0.17 -0.37 0.00 0.68 0.00 0.00 39.33 39.54 1k2h h ASP 46 CO 0.00 0.55 -0.85 0.68 -1.61 0.00 0.00 179.24 178.00 1k2h s VAL 47 N -5.95 0.10 -0.17 2.25 -7.23 -1.14 -5.10 120.40 103.17 1k2h s VAL 47 Ca -0.12 -1.83 -0.29 0.00 -1.81 0.00 0.00 61.98 57.93 1k2h s VAL 47 Cb 0.21 -1.07 -0.04 0.00 0.56 0.00 0.00 36.38 36.04 1k2h s VAL 47 CO 0.81 -0.98 1.77 -1.58 -0.31 0.00 0.00 175.10 174.80 1k2h s GLN 48 N 0.87 3.78 0.00 4.82 0.74 -1.25 -4.62 119.66 124.00 1k2h s GLN 48 Ca 0.22 1.91 0.00 0.00 0.05 0.00 0.00 55.36 57.54 1k2h s GLN 48 Cb -0.15 -4.10 0.00 0.00 1.10 0.00 0.00 33.01 29.86 1k2h s GLN 48 CO -0.05 -1.33 0.00 1.63 -0.55 0.00 0.00 175.29 175.00 1k2h n LYS 49 N 7.77 0.00 -3.35 1.67 4.76 1.38 -4.69 118.16 125.70 1k2h n LYS 49 Ca 0.21 0.50 -0.45 0.00 -2.87 0.00 0.00 58.31 55.69 1k2h n LYS 49 Cb 0.44 -1.00 -0.06 0.00 -1.84 0.00 0.00 35.03 32.57 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 -3.00 6.17 0.17 4.39 1.01 -1.04 -4.87 116.67 119.50 1k2h s ASP 50 Ca 0.00 -1.54 0.24 0.00 0.71 0.00 0.00 52.55 51.96 1k2h s ASP 50 Cb 0.00 -2.20 0.91 0.00 1.01 0.00 0.00 42.92 42.64 1k2h s ASP 50 CO 0.00 -0.74 1.73 0.00 0.21 0.00 0.00 175.17 176.37 1k2h n ALA 51 N 5.22 1.98 -0.12 5.23 0.00 -1.26 -2.83 120.51 128.74 1k2h n ALA 51 Ca -0.13 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.18 1k2h n ALA 51 Cb 0.42 -1.41 -0.02 0.00 0.00 0.00 0.00 19.45 18.44 1k2h n ALA 51 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 1k2h h ASP 52 N 0.00 1.01 0.18 0.00 1.82 -1.98 -0.57 116.42 116.88 1k2h h ASP 52 Ca 0.00 -0.47 -0.01 0.00 -0.39 0.00 0.00 57.03 56.16 1k2h h ASP 52 Cb 0.50 -0.28 0.00 0.00 0.68 0.00 0.00 39.33 40.23 1k2h h ASP 52 CO 0.00 1.28 -0.09 0.00 -1.61 0.00 0.00 179.24 178.82 1k2h h ALA 53 N 0.77 -0.24 -0.88 -0.78 0.00 -1.89 -2.10 119.26 114.13 1k2h h ALA 53 Ca 0.06 -0.22 0.18 0.00 0.00 0.00 0.00 54.91 54.93 1k2h h ALA 53 Cb 1.00 0.09 -0.07 0.00 0.00 0.00 0.00 17.79 18.82 1k2h h ALA 53 CO 0.10 -0.37 0.58 0.28 0.00 0.00 0.00 179.25 179.83 1k2h h VAL 54 N -0.78 0.73 -0.90 0.00 2.07 -1.60 0.35 116.25 116.14 1k2h h VAL 54 Ca -0.03 -0.17 -0.02 0.00 0.82 0.00 0.00 66.70 67.30 1k2h h VAL 54 Cb 0.52 0.19 -0.04 0.00 -1.52 0.00 0.00 31.29 30.44 1k2h h VAL 54 CO 0.04 0.09 0.48 -0.78 0.02 0.00 0.00 177.57 177.42 1k2h h ASP 55 N 0.50 1.13 -0.72 0.57 1.82 -0.88 -2.38 116.42 116.45 1k2h h ASP 55 Ca 0.46 -0.11 -0.03 0.00 -0.39 0.00 0.00 57.03 56.96 1k2h h ASP 55 Cb 1.00 -0.29 -0.03 0.00 0.68 0.00 0.00 39.33 40.69 1k2h h ASP 55 CO -0.19 0.91 0.32 0.50 -1.61 0.00 0.00 179.24 179.18 1k2h h LYS 56 N 1.26 1.06 -0.73 0.28 1.63 0.40 -2.62 116.57 117.84 1k2h h LYS 56 Ca 0.31 -0.17 0.01 0.00 -0.85 0.00 0.00 60.65 59.95 1k2h h LYS 56 Cb 0.04 -0.18 -0.04 0.00 -0.60 0.00 0.00 32.23 31.45 1k2h h LYS 56 CO -0.05 0.85 0.48 0.82 -3.45 0.00 0.00 179.45 178.10 1k2h h ILE 57 N 1.02 1.19 0.00 2.00 2.04 -0.96 -0.10 117.51 122.70 1k2h h ILE 57 Ca 0.25 -0.35 -0.00 0.00 1.00 0.00 0.00 64.86 65.75 1k2h h ILE 57 Cb 0.16 0.11 -0.00 0.00 -0.74 0.00 0.00 36.82 36.35 1k2h h ILE 57 CO -0.03 0.18 -0.02 0.24 0.00 0.00 0.00 178.15 178.53 1k2h h MET 58 N 1.00 0.00 -0.49 2.37 2.86 -1.08 -2.40 114.93 117.19 1k2h h MET 58 Ca 0.27 0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 57.82 1k2h h MET 58 Cb -0.11 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.53 1k2h h MET 58 CO -0.06 0.02 -0.03 -0.22 1.06 0.00 0.00 176.91 177.68 1k2h h LYS 59 N 0.00 0.89 -0.31 1.72 3.64 -0.81 -1.88 116.57 119.82 1k2h h LYS 59 Ca -0.00 -0.30 -0.12 0.00 -1.27 0.00 0.00 60.65 58.96 1k2h h LYS 59 Cb 0.05 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.79 1k2h h LYS 59 CO 0.00 0.94 -0.28 0.93 -2.27 0.00 0.00 179.45 178.77 1k2h h GLU 60 N 0.75 0.74 -0.88 1.90 3.07 -1.45 -0.66 114.58 118.06 1k2h h GLU 60 Ca 0.14 -0.38 -0.02 0.00 -0.50 0.00 0.00 59.36 58.60 1k2h h GLU 60 Cb 0.56 0.01 -0.04 0.00 -0.84 0.00 0.00 28.75 28.43 1k2h h GLU 60 CO 0.03 1.00 0.48 -0.07 -1.40 0.00 0.00 179.01 179.05 1k2h h LEU 61 N 0.50 1.10 0.09 1.33 -0.00 -1.52 -2.43 115.31 114.39 1k2h h LEU 61 Ca 0.05 -0.10 -0.26 0.00 -0.00 0.00 0.00 57.88 57.58 1k2h h LEU 61 Cb 0.84 -0.28 -0.01 0.00 -0.00 0.00 0.00 40.66 41.22 1k2h h LEU 61 CO 0.07 0.89 -1.20 -0.78 -0.00 0.00 0.00 178.44 177.42 1k2h h ASP 62 N 1.24 0.30 -1.00 -0.43 1.82 -1.29 0.56 116.42 117.62 1k2h h ASP 62 Ca 0.31 -0.33 0.01 0.00 -0.39 0.00 0.00 57.03 56.63 1k2h h ASP 62 Cb 0.03 -0.10 -0.05 0.00 0.68 0.00 0.00 39.33 39.89 1k2h h ASP 62 CO -0.05 1.26 0.66 -0.33 -1.61 0.00 0.00 179.24 179.17 1k2h h GLU 63 N 0.05 1.32 -0.80 0.28 4.39 -0.86 -3.34 114.58 115.63 1k2h h GLU 63 Ca -0.11 -0.08 -0.34 0.00 0.34 0.00 0.00 59.36 59.17 1k2h h GLU 63 Cb 1.92 -0.30 -0.25 0.00 -0.10 0.00 0.00 28.75 30.03 1k2h h GLU 63 CO 0.18 0.88 -0.74 -1.71 -1.16 0.00 0.00 179.01 176.45 1k2h n ASN 64 N -4.38 -1.17 -0.18 1.42 5.15 -0.94 -4.96 115.26 110.20 1k2h n ASN 64 Ca 0.12 -3.38 0.26 0.00 -0.60 0.00 0.00 54.58 50.98 1k2h n ASN 64 Cb 0.01 0.91 0.67 0.00 -0.53 0.00 0.00 39.78 40.84 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 3.14 0.23 -0.16 8.20 0.00 0.01 1.85 103.07 116.34 1k2h h GLY 65 Ca -0.03 -0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.26 1k2h h GLY 65 CO 0.29 -0.01 0.00 1.22 0.00 0.00 0.00 176.54 178.05 1k2h n ASP 66 N -4.34 1.18 -3.46 0.19 8.00 -1.26 -1.45 116.55 115.41 1k2h n ASP 66 Ca 0.18 -1.40 0.00 0.00 0.71 0.00 0.00 54.79 54.29 1k2h n ASP 66 Cb 0.87 -0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.97 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 1.14 -2.22 3.28 0.44 0.00 0.63 -4.72 105.19 103.73 1k2h n GLY 67 Ca 0.20 -1.09 -0.12 0.00 0.00 0.00 0.00 46.02 45.01 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 0.88 0.07 1.61 2.12 -1.26 -3.25 118.70 118.87 1k2h s GLU 68 Ca 0.00 -0.52 0.01 0.00 0.36 0.00 0.00 54.97 54.82 1k2h s GLU 68 Cb 0.00 0.38 -0.04 0.00 0.26 0.00 0.00 34.13 34.74 1k2h s GLU 68 CO 0.00 -0.30 -0.06 0.14 -0.54 0.00 0.00 175.26 174.51 1k2h s VAL 69 N -2.78 0.48 0.00 3.70 -7.23 -0.95 -4.74 120.40 108.88 1k2h s VAL 69 Ca -0.03 -1.62 0.00 0.00 -1.81 0.00 0.00 61.98 58.52 1k2h s VAL 69 Cb -0.00 -1.26 0.00 0.00 0.56 0.00 0.00 36.38 35.67 1k2h s VAL 69 CO -0.05 -0.76 0.00 -0.90 -0.31 0.00 0.00 175.10 173.08 1k2h n ASP 70 N 0.49 1.17 -0.06 4.85 5.75 -1.26 -2.38 116.55 125.11 1k2h n ASP 70 Ca -0.16 0.00 -0.10 0.00 -0.01 0.00 0.00 54.79 54.52 1k2h n ASP 70 Cb 0.59 0.00 -0.03 0.00 -1.03 0.00 0.00 41.12 40.65 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 0.30 0.00 2.11 -5.15 -1.96 0.23 116.94 112.47 1k2h h PHE 71 Ca 0.00 0.01 -0.09 0.00 -0.20 0.00 0.00 57.97 57.69 1k2h h PHE 71 Cb 0.00 -0.10 -0.01 0.00 0.22 0.00 0.00 35.95 36.06 1k2h h PHE 71 CO 0.00 0.19 -0.42 0.37 -2.00 0.00 0.00 178.31 176.45 1k2h h GLN 72 N 0.33 0.00 0.12 6.09 -0.00 -1.98 -1.18 115.11 118.49 1k2h h GLN 72 Ca 0.09 0.00 -0.28 0.00 -0.00 0.00 0.00 58.65 58.46 1k2h h GLN 72 Cb -0.03 0.00 0.03 0.00 0.00 0.00 0.00 27.48 27.47 1k2h h GLN 72 CO -0.02 0.42 -1.15 0.93 0.00 0.00 0.00 178.83 179.00 1k2h h GLU 73 N 0.00 0.57 -0.41 1.69 4.39 -1.84 -2.13 114.58 116.85 1k2h h GLU 73 Ca -0.00 -0.77 -0.13 0.00 0.34 0.00 0.00 59.36 58.79 1k2h h GLU 73 Cb 0.82 0.26 -0.01 0.00 -0.10 0.00 0.00 28.75 29.72 1k2h h GLU 73 CO 0.05 1.35 -0.26 0.35 -1.16 0.00 0.00 179.01 179.34 1k2h h PHE 74 N 0.17 0.98 -0.24 4.33 3.04 -0.45 -2.41 116.94 122.36 1k2h h PHE 74 Ca -0.18 -0.24 -0.15 0.00 3.98 0.00 0.00 57.97 61.38 1k2h h PHE 74 Cb 1.84 -0.23 0.00 0.00 2.56 0.00 0.00 35.95 40.13 1k2h h PHE 74 CO 0.13 1.01 -0.45 0.28 -2.02 0.00 0.00 178.31 177.26 1k2h h VAL 75 N 0.73 1.30 -0.37 1.41 2.07 -1.26 -2.07 116.25 118.05 1k2h h VAL 75 Ca 0.09 -1.66 -0.17 0.00 0.82 0.00 0.00 66.70 65.79 1k2h h VAL 75 Cb 0.80 1.75 -0.00 0.00 -1.52 0.00 0.00 31.29 32.32 1k2h h VAL 75 CO 0.07 0.53 -0.41 0.58 0.02 0.00 0.00 177.57 178.35 1k2h h VAL 76 N 0.46 1.27 -0.06 2.57 2.07 -1.36 -2.18 116.25 119.02 1k2h h VAL 76 Ca 0.01 -1.59 -0.15 0.00 0.82 0.00 0.00 66.70 65.80 1k2h h VAL 76 Cb 1.05 1.41 -0.01 0.00 -1.52 0.00 0.00 31.29 32.22 1k2h h VAL 76 CO 0.10 0.53 -0.63 -0.07 0.02 0.00 0.00 177.57 177.52 1k2h h LEU 77 N 0.76 0.27 -0.36 2.57 4.07 -1.49 -2.57 115.31 118.55 1k2h h LEU 77 Ca 0.05 -0.16 -0.15 0.00 0.08 0.00 0.00 57.88 57.71 1k2h h LEU 77 Cb 1.01 -0.08 -0.01 0.00 1.08 0.00 0.00 40.66 42.67 1k2h h LEU 77 CO 0.10 0.83 -0.34 0.58 -1.08 0.00 0.00 178.44 178.52 1k2h h VAL 78 N 0.17 1.28 -0.69 1.22 2.07 -1.28 -1.85 116.25 117.17 1k2h h VAL 78 Ca -0.01 -1.51 -0.05 0.00 0.82 0.00 0.00 66.70 65.94 1k2h h VAL 78 Cb 1.14 1.42 -0.03 0.00 -1.52 0.00 0.00 31.29 32.31 1k2h h VAL 78 CO 0.10 0.50 0.22 0.00 0.02 0.00 0.00 177.57 178.41 1k2h h ALA 79 N 0.76 1.10 -1.01 1.67 0.00 -1.37 -1.92 119.26 118.49 1k2h h ALA 79 Ca 0.06 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 54.77 1k2h h ALA 79 Cb 0.93 -0.27 -0.05 0.00 0.00 0.00 0.00 17.79 18.40 1k2h h ALA 79 CO 0.09 0.62 0.67 0.00 0.00 0.00 0.00 179.25 180.63 1k2h h ALA 80 N 1.23 1.28 -0.86 0.00 0.00 -1.17 -1.46 119.26 118.28 1k2h h ALA 80 Ca 0.22 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 1k2h h ALA 80 Cb 0.27 -0.41 -0.04 0.00 0.00 0.00 0.00 17.79 17.61 1k2h h ALA 80 CO -0.01 0.67 0.42 1.25 0.00 0.00 0.00 179.25 181.58 1k2h h LEU 81 N 1.37 1.12 -1.13 0.00 5.85 -0.57 -2.36 115.31 119.60 1k2h h LEU 81 Ca 0.37 -0.13 0.01 0.00 0.84 0.00 0.00 57.88 58.97 1k2h h LEU 81 Cb -0.15 -0.29 -0.04 0.00 0.37 0.00 0.00 40.66 40.54 1k2h h LEU 81 CO -0.08 0.94 0.59 0.74 -0.34 0.00 0.00 178.44 180.29 1k2h h THR 82 N 1.23 1.23 -0.85 1.05 2.02 -0.79 -1.96 112.91 114.84 1k2h h THR 82 Ca 0.30 -0.41 0.04 0.00 0.77 0.00 0.00 66.41 67.10 1k2h h THR 82 Cb 0.11 -0.08 -0.05 0.00 -1.74 0.00 0.00 68.15 66.39 1k2h h THR 82 CO -0.04 0.22 0.56 1.62 0.37 0.00 0.00 175.52 178.25 1k2h h VAL 83 N 1.20 1.12 0.00 3.16 3.04 -0.89 2.57 116.25 126.46 1k2h h VAL 83 Ca 0.33 -0.35 -0.03 0.00 -1.01 0.00 0.00 66.70 65.63 1k2h h VAL 83 Cb -0.14 0.00 -0.00 0.00 -2.01 0.00 0.00 31.29 29.14 1k2h h VAL 83 CO -0.07 0.19 -0.14 0.00 -1.01 0.00 0.00 177.57 176.54 1k2h h ALA 84 N 1.51 0.99 0.00 3.17 0.00 -1.31 -3.15 119.26 120.47 1k2h h ALA 84 Ca 0.34 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 1k2h h ALA 84 Cb 0.06 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1k2h h ALA 84 CO -0.11 0.17 -0.19 0.00 0.00 0.00 0.00 179.25 179.13 1k2h n ASN 86 N -1.03 0.00 -4.46 0.00 6.94 0.85 -4.66 115.26 112.89 1k2h n ASN 86 Ca 0.12 0.00 -0.47 0.00 -0.02 0.00 0.00 54.58 54.22 1k2h n ASN 86 Cb 0.67 0.00 -0.08 0.00 -2.36 0.00 0.00 39.78 38.01 1k2h n ASN 86 CO 0.00 0.00 0.00 -3.20 -1.03 0.00 0.00 177.26 173.03 1k2h n ASN 87 N -0.84 1.73 -0.31 0.53 5.15 -1.26 -4.77 115.26 115.49 1k2h n ASN 87 Ca 0.00 0.21 -0.04 0.00 -0.60 0.00 0.00 54.58 54.15 1k2h n ASN 87 Cb 0.00 -1.24 0.08 0.00 -0.53 0.00 0.00 39.78 38.09 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 13.47 1.04 -0.77 1.20 3.04 -2.00 -2.38 116.94 130.55 1k2h h PHE 88 Ca -0.21 0.02 -0.06 0.00 3.98 0.00 0.00 57.97 61.71 1k2h h PHE 88 Cb 1.32 -0.35 -0.03 0.00 2.56 0.00 0.00 35.95 39.44 1k2h h PHE 88 CO 0.98 0.65 0.26 0.74 -2.02 0.00 0.00 178.31 178.93 1k2h h PHE 89 N 1.12 1.22 -4.32 0.41 0.04 -1.97 -3.44 116.94 110.00 1k2h h PHE 89 Ca 0.31 -0.11 -0.12 0.00 2.80 0.00 0.00 57.97 60.84 1k2h h PHE 89 Cb -0.13 -0.36 -0.07 0.00 2.20 0.00 0.00 35.95 37.60 1k2h h PHE 89 CO -0.01 0.94 -0.18 -2.67 -0.60 0.00 0.00 178.31 175.79 1k2h n TRP 90 N -4.26 -0.24 -2.58 -0.55 2.14 -0.90 -4.79 117.44 106.27 1k2h n TRP 90 Ca 0.06 0.13 -0.41 0.00 2.07 0.00 0.00 57.50 59.35 1k2h n TRP 90 Cb 0.22 -0.43 -0.04 0.00 -0.81 0.00 0.00 31.31 30.25 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 -2.74 4.59 -0.26 -2.67 -1.05 -1.26 -5.01 118.70 110.30 1k2h s GLU 91 Ca 0.11 1.62 -0.08 0.00 -0.15 0.00 0.00 54.97 56.48 1k2h s GLU 91 Cb -0.07 -3.34 -0.03 0.00 -0.44 0.00 0.00 34.13 30.25 1k2h s GLU 91 CO 0.20 0.03 0.09 1.21 0.95 0.00 0.00 175.26 177.75 1k2h s ASN 92 N 0.27 5.30 0.00 0.83 2.47 -1.26 -4.98 114.94 117.57 1k2h s ASN 92 Ca 0.51 -0.17 0.31 0.00 0.42 0.00 0.00 52.86 53.93 1k2h s ASN 92 Cb -0.27 -1.96 1.77 0.00 -1.45 0.00 0.00 41.25 39.34 1k2h s ASN 92 CO 0.32 -0.04 2.15 -1.20 -3.72 0.00 0.00 177.10 174.61