#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 4.06 0.08 1.61 1.04 -1.26 -4.76 113.70 114.47 1k2h s SER 2 Ca 0.00 0.62 -0.25 0.00 0.48 0.00 0.00 55.95 56.80 1k2h s SER 2 Cb 0.00 -0.96 -0.16 0.00 0.10 0.00 0.00 66.02 65.00 1k2h s SER 2 CO 0.00 -2.17 1.71 -0.33 0.98 0.00 0.00 173.24 173.43 1k2h h GLU 3 N -1.25 -0.17 -0.23 4.02 5.08 -2.06 0.15 114.58 120.12 1k2h h GLU 3 Ca -0.45 0.01 -0.19 0.00 -1.00 0.00 0.00 59.36 57.72 1k2h h GLU 3 Cb 1.30 0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.59 1k2h h GLU 3 CO 0.57 -0.11 -0.62 -0.07 -1.00 0.00 0.00 179.01 177.78 1k2h h LEU 4 N -0.18 0.91 -0.96 1.33 3.38 -2.01 -3.08 115.31 114.71 1k2h h LEU 4 Ca -0.02 -0.52 0.01 0.00 0.09 0.00 0.00 57.88 57.44 1k2h h LEU 4 Cb 0.14 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 40.58 1k2h h LEU 4 CO 0.03 1.31 0.64 -0.08 0.09 0.00 0.00 178.44 180.43 1k2h h GLU 5 N 0.60 1.27 -0.94 1.13 4.57 -1.90 -1.75 114.58 117.55 1k2h h GLU 5 Ca -0.01 -0.08 -0.01 0.00 -1.18 0.00 0.00 59.36 58.09 1k2h h GLU 5 Cb 1.23 -0.29 -0.05 0.00 -0.16 0.00 0.00 28.75 29.49 1k2h h GLU 5 CO 0.13 0.84 0.55 1.15 -1.18 0.00 0.00 179.01 180.50 1k2h h THR 6 N 1.31 1.26 -0.98 0.32 2.02 -0.93 -2.52 112.91 113.39 1k2h h THR 6 Ca 0.35 -0.59 0.00 0.00 0.77 0.00 0.00 66.41 66.94 1k2h h THR 6 Cb -0.15 -0.05 -0.05 0.00 -1.74 0.00 0.00 68.15 66.16 1k2h h THR 6 CO -0.08 0.28 0.62 0.00 0.37 0.00 0.00 175.52 176.72 1k2h h ALA 7 N 1.30 1.24 -0.86 6.16 0.00 -1.24 -2.52 119.26 123.35 1k2h h ALA 7 Ca 0.34 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1k2h h ALA 7 Cb -0.03 -0.40 -0.04 0.00 0.00 0.00 0.00 17.79 17.32 1k2h h ALA 7 CO -0.06 0.66 0.55 0.52 0.00 0.00 0.00 179.25 180.93 1k2h h MET 8 N 1.34 1.14 -0.72 0.00 2.07 -1.14 -2.33 114.93 115.29 1k2h h MET 8 Ca 0.36 -0.08 -0.07 0.00 -2.07 0.00 0.00 59.70 57.84 1k2h h MET 8 Cb -0.11 -0.25 -0.03 0.00 -1.87 0.00 0.00 31.60 29.33 1k2h h MET 8 CO -0.07 0.77 0.19 0.93 1.07 0.00 0.00 176.91 179.80 1k2h h GLU 9 N 1.17 1.15 -0.64 1.72 5.08 -1.38 -2.95 114.58 118.73 1k2h h GLU 9 Ca 0.31 -0.27 -0.09 0.00 -1.00 0.00 0.00 59.36 58.31 1k2h h GLU 9 Cb -0.11 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 28.97 1k2h h GLU 9 CO -0.06 1.00 0.04 1.15 -1.00 0.00 0.00 179.01 180.14 1k2h h THR 10 N 1.09 1.27 -0.99 1.13 2.02 -1.20 -2.99 112.91 113.23 1k2h h THR 10 Ca 0.23 -1.12 0.01 0.00 0.77 0.00 0.00 66.41 66.30 1k2h h THR 10 Cb 0.36 0.73 -0.05 0.00 -1.74 0.00 0.00 68.15 67.45 1k2h h THR 10 CO 0.00 0.41 0.65 -0.07 0.37 0.00 0.00 175.52 176.88 1k2h h LEU 11 N 1.01 1.15 -0.55 2.58 3.38 -1.26 -2.41 115.31 119.21 1k2h h LEU 11 Ca 0.19 -0.04 -0.04 0.00 0.09 0.00 0.00 57.88 58.08 1k2h h LEU 11 Cb 0.52 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 1k2h h LEU 11 CO 0.02 0.84 0.19 0.40 0.09 0.00 0.00 178.44 179.99 1k2h h ILE 12 N 1.35 1.23 -0.92 1.22 2.04 -1.43 -2.42 117.51 118.59 1k2h h ILE 12 Ca 0.36 -0.77 -0.00 0.00 1.00 0.00 0.00 64.86 65.45 1k2h h ILE 12 Cb -0.14 0.69 -0.04 0.00 -0.74 0.00 0.00 36.82 36.59 1k2h h ILE 12 CO -0.08 0.29 0.56 -1.13 0.00 0.00 0.00 178.15 177.79 1k2h h ASN 13 N 0.76 1.10 -0.17 1.72 -1.24 -1.33 -2.86 115.58 113.57 1k2h h ASN 13 Ca 0.18 -0.07 -0.20 0.00 0.71 0.00 0.00 56.30 56.92 1k2h h ASN 13 Cb 0.26 -0.28 0.00 0.00 0.73 0.00 0.00 38.32 39.03 1k2h h ASN 13 CO -0.01 0.84 -0.68 0.58 -1.29 0.00 0.00 177.43 176.88 1k2h h VAL 14 N 1.26 1.28 -0.85 2.57 2.07 -1.30 -2.98 116.25 118.30 1k2h h VAL 14 Ca 0.33 -1.88 0.12 0.00 0.82 0.00 0.00 66.70 66.09 1k2h h VAL 14 Cb -0.06 1.84 -0.06 0.00 -1.52 0.00 0.00 31.29 31.49 1k2h h VAL 14 CO -0.06 0.60 0.55 -0.26 0.02 0.00 0.00 177.57 178.42 1k2h h PHE 15 N 0.57 0.81 -0.06 1.57 0.04 -1.27 0.93 116.94 119.53 1k2h h PHE 15 Ca -0.02 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1k2h h PHE 15 Cb 1.29 -0.26 -0.00 0.00 2.20 0.00 0.00 35.95 39.18 1k2h h PHE 15 CO 0.08 0.34 0.04 1.25 -0.60 0.00 0.00 178.31 179.42 1k2h h HIS 16 N 0.73 0.07 0.46 -0.55 2.76 -1.35 -0.98 115.15 116.28 1k2h h HIS 16 Ca 0.41 0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 58.56 1k2h h HIS 16 Cb 0.57 -0.02 -0.00 0.00 1.55 0.00 0.00 27.41 29.51 1k2h h HIS 16 CO -0.00 0.04 -0.28 0.00 -1.30 0.00 0.00 177.93 176.39 1k2h h ALA 17 N 1.96 -0.71 -0.07 5.26 0.00 0.94 2.43 119.26 129.07 1k2h h ALA 17 Ca 0.02 -0.14 -0.24 0.00 0.00 0.00 0.00 54.91 54.56 1k2h h ALA 17 Cb 0.01 0.35 0.01 0.00 0.00 0.00 0.00 17.79 18.16 1k2h h ALA 17 CO -0.00 -0.91 -0.90 0.45 0.00 0.00 0.00 179.25 177.88 1k2h h HIS 18 N -0.71 0.98 -0.59 0.00 3.86 -1.49 -3.23 115.15 113.97 1k2h h HIS 18 Ca -0.05 -0.48 0.00 0.00 -1.16 0.00 0.00 60.37 58.67 1k2h h HIS 18 Cb 0.58 -0.13 0.00 0.00 1.06 0.00 0.00 27.41 28.92 1k2h h HIS 18 CO -0.09 1.31 0.00 0.43 0.86 0.00 0.00 177.93 180.44 1k2h n SER 19 N -3.88 3.94 -0.89 2.45 7.64 -0.40 -4.54 113.62 117.94 1k2h n SER 19 Ca -0.09 -2.25 0.00 0.00 1.01 0.00 0.00 58.87 57.54 1k2h n SER 19 Cb 0.81 -0.50 0.00 0.00 -1.01 0.00 0.00 64.21 63.51 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 0.57 0.00 0.23 0.00 0.82 -3.44 105.19 104.57 1k2h n GLY 20 Ca 0.22 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.32 1k2h n GLY 20 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1k2h n LYS 21 N 0.74 0.31 0.00 1.61 3.00 -1.26 -4.79 118.16 117.77 1k2h n LYS 21 Ca 0.00 0.10 0.00 0.00 -0.00 0.00 0.00 58.31 58.41 1k2h n LYS 21 Cb 0.14 -1.50 0.00 0.00 0.00 0.00 0.00 35.03 33.67 1k2h n LYS 21 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 1k2h n GLU 22 N -1.21 0.00 0.00 1.64 2.13 -1.22 -4.71 120.64 117.26 1k2h n GLU 22 Ca 0.09 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.91 1k2h n GLU 22 Cb 0.11 -2.82 0.00 0.00 0.27 0.00 0.00 31.44 29.01 1k2h n GLU 22 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1k2h n GLY 23 N -1.51 0.91 3.31 8.31 0.00 -1.26 -4.66 105.19 110.29 1k2h n GLY 23 Ca 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.56 1k2h n GLY 23 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1k2h s ASP 24 N -1.66 6.20 0.46 1.61 -4.77 -1.26 -4.90 116.67 112.34 1k2h s ASP 24 Ca 0.00 -1.79 0.17 0.00 -3.30 0.00 0.00 52.55 47.64 1k2h s ASP 24 Cb 0.00 -2.21 1.07 0.00 -1.09 0.00 0.00 42.92 40.69 1k2h s ASP 24 CO 0.00 -0.87 1.99 0.11 0.70 0.00 0.00 175.17 177.10 1k2h h LYS 25 N 8.89 0.00 -6.53 2.11 1.57 -1.83 -3.44 116.57 117.34 1k2h h LYS 25 Ca -0.29 0.00 -0.46 0.00 -1.87 0.00 0.00 60.65 58.03 1k2h h LYS 25 Cb 1.10 0.00 0.24 0.00 0.08 0.00 0.00 32.23 33.65 1k2h h LYS 25 CO 1.04 0.19 -1.41 0.66 -0.57 0.00 0.00 179.45 179.36 1k2h n TYR 26 N -4.12 -1.40 0.00 -1.35 4.01 -1.26 -4.77 117.16 108.27 1k2h n TYR 26 Ca -0.02 0.24 0.00 0.00 -0.16 0.00 0.00 57.90 57.96 1k2h n TYR 26 Cb 0.27 -1.52 0.00 0.00 -0.31 0.00 0.00 39.34 37.78 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 -1.18 0.00 -3.22 -0.72 3.00 -0.71 -4.72 118.16 110.61 1k2h n LYS 27 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1k2h n LYS 27 Cb 0.65 -0.45 0.00 0.00 0.00 0.00 0.00 35.03 35.23 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 -4.52 3.14 -0.00 -1.11 -4.63 117.00 109.88 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 0.04 0.00 -0.00 0.00 0.00 43.42 43.46 1k2h n LEU 28 CO 0.00 0.00 0.22 -1.54 -0.00 0.00 0.00 177.39 176.07 1k2h n SER 29 N 0.65 -0.43 -0.02 1.45 3.41 -1.26 -2.10 113.62 115.33 1k2h n SER 29 Ca 0.00 0.77 -0.11 0.00 -0.26 0.00 0.00 58.87 59.26 1k2h n SER 29 Cb 0.00 -1.24 -0.06 0.00 -0.26 0.00 0.00 64.21 62.65 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 0.35 0.15 -0.54 4.33 1.57 -1.45 -1.71 116.57 119.26 1k2h h LYS 30 Ca -0.46 -0.02 0.09 0.00 -1.87 0.00 0.00 60.65 58.39 1k2h h LYS 30 Cb 1.39 -0.03 -0.08 0.00 0.08 0.00 0.00 32.23 33.60 1k2h h LYS 30 CO 0.48 0.23 0.12 0.87 -0.57 0.00 0.00 179.45 180.58 1k2h h LYS 31 N 0.03 0.25 -0.54 3.15 1.79 -1.68 -1.12 116.57 118.45 1k2h h LYS 31 Ca 0.03 -0.01 -0.12 0.00 -2.18 0.00 0.00 60.65 58.37 1k2h h LYS 31 Cb 0.13 -0.06 -0.02 0.00 -1.58 0.00 0.00 32.23 30.71 1k2h h LYS 31 CO -0.00 0.16 -0.12 1.49 -1.08 0.00 0.00 179.45 179.90 1k2h h GLU 32 N 0.25 1.03 -0.70 3.15 4.57 -1.85 -3.04 114.58 118.00 1k2h h GLU 32 Ca 0.28 -0.39 0.11 0.00 -1.18 0.00 0.00 59.36 58.18 1k2h h GLU 32 Cb 0.38 -0.06 -0.08 0.00 -0.16 0.00 0.00 28.75 28.83 1k2h h GLU 32 CO -0.35 1.07 0.31 1.25 -1.18 0.00 0.00 179.01 180.11 1k2h h LEU 33 N 0.91 0.36 -0.46 1.64 7.12 -0.26 -1.04 115.31 123.58 1k2h h LEU 33 Ca 0.14 0.08 0.00 0.00 0.13 0.00 0.00 57.88 58.23 1k2h h LEU 33 Cb 0.69 0.03 -0.02 0.00 -0.53 0.00 0.00 40.66 40.82 1k2h h LEU 33 CO 0.05 0.19 0.30 0.50 -0.13 0.00 0.00 178.44 179.36 1k2h h LYS 34 N 0.51 0.61 0.00 1.25 3.64 -1.29 0.12 116.57 121.42 1k2h h LYS 34 Ca 0.36 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.70 1k2h h LYS 34 Cb 0.44 -0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 32.12 1k2h h LYS 34 CO -0.31 0.40 -0.02 -0.44 -2.27 0.00 0.00 179.45 176.81 1k2h h ASP 35 N 0.62 0.00 0.16 4.20 3.32 -1.30 -2.71 116.42 120.71 1k2h h ASP 35 Ca 0.17 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.21 1k2h h ASP 35 Cb -0.07 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.48 1k2h h ASP 35 CO -0.04 0.02 -0.08 0.25 -1.72 0.00 0.00 179.24 177.68 1k2h h LEU 36 N 0.00 -0.18 -0.06 1.55 7.12 0.45 -3.14 115.31 121.04 1k2h h LEU 36 Ca -0.00 -0.34 -0.02 0.00 0.13 0.00 0.00 57.88 57.65 1k2h h LEU 36 Cb 0.12 0.05 -0.00 0.00 -0.53 0.00 0.00 40.66 40.30 1k2h h LEU 36 CO 0.00 0.38 -0.03 -0.07 -0.13 0.00 0.00 178.44 178.60 1k2h h LEU 37 N -0.90 0.14 -2.31 2.25 3.38 -1.22 -2.39 115.31 114.26 1k2h h LEU 37 Ca -0.02 -0.40 -0.01 0.00 0.09 0.00 0.00 57.88 57.53 1k2h h LEU 37 Cb 0.51 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.22 1k2h h LEU 37 CO 0.04 0.51 -0.04 1.56 0.09 0.00 0.00 178.44 180.59 1k2h h GLN 38 N -0.24 0.00 -0.01 1.13 4.20 -1.66 0.51 115.11 119.03 1k2h h GLN 38 Ca 0.01 0.00 -0.21 0.00 0.06 0.00 0.00 58.65 58.51 1k2h h GLN 38 Cb 0.46 0.00 0.02 0.00 0.30 0.00 0.00 27.48 28.25 1k2h h GLN 38 CO 0.01 0.04 -0.82 1.15 -0.67 0.00 0.00 178.83 178.54 1k2h h THR 39 N 0.00 1.34 -0.02 -0.54 2.02 -1.46 -3.04 112.91 111.22 1k2h h THR 39 Ca -0.00 -2.14 0.00 0.00 0.77 0.00 0.00 66.41 65.04 1k2h h THR 39 Cb 0.17 2.44 0.00 0.00 -1.74 0.00 0.00 68.15 69.02 1k2h h THR 39 CO 0.01 0.65 -0.12 1.21 0.37 0.00 0.00 175.52 177.63 1k2h n GLU 40 N -4.03 1.60 -1.45 6.66 2.13 -0.66 -3.99 120.64 120.90 1k2h n GLU 40 Ca -0.10 -1.12 -0.12 0.00 0.66 0.00 0.00 57.16 56.47 1k2h n GLU 40 Cb 0.78 -1.48 0.10 0.00 0.27 0.00 0.00 31.44 31.11 1k2h n GLU 40 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 1k2h n LEU 41 N 0.28 4.12 -0.37 4.31 4.77 0.17 -4.80 117.00 125.47 1k2h n LEU 41 Ca 0.15 -4.41 -0.02 0.00 -0.03 0.00 0.00 56.01 51.70 1k2h n LEU 41 Cb 0.43 -0.43 0.11 0.00 -2.33 0.00 0.00 43.42 41.20 1k2h n LEU 41 CO 0.20 1.82 1.29 0.28 -1.33 0.00 0.00 177.39 179.65 1k2h h SER 42 N 1.71 1.14 -0.38 -1.43 0.02 -1.66 -1.91 113.55 111.04 1k2h h SER 42 Ca 0.23 -0.03 -0.03 0.00 -0.84 0.00 0.00 61.79 61.13 1k2h h SER 42 Cb 1.33 -0.29 -0.02 0.00 0.14 0.00 0.00 62.40 63.56 1k2h h SER 42 CO 0.48 0.83 0.16 -1.28 -1.14 0.00 0.00 176.83 175.87 1k2h h SER 43 N 1.35 0.57 -1.00 3.07 0.87 -1.90 -1.15 113.55 115.36 1k2h h SER 43 Ca 0.37 -0.07 0.01 0.00 -1.23 0.00 0.00 61.79 60.87 1k2h h SER 43 Cb -0.15 -0.15 -0.05 0.00 -0.44 0.00 0.00 62.40 61.61 1k2h h SER 43 CO -0.08 0.53 0.65 -0.26 -0.53 0.00 0.00 176.83 177.14 1k2h h PHE 44 N 0.62 1.27 0.00 2.24 0.04 -1.71 0.40 116.94 119.80 1k2h h PHE 44 Ca 0.15 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.94 1k2h h PHE 44 Cb 0.16 -0.43 0.00 0.00 2.20 0.00 0.00 35.95 37.88 1k2h h PHE 44 CO 0.01 0.81 0.00 1.28 -0.60 0.00 0.00 178.31 179.80 1k2h n LEU 45 N -4.37 0.00 -0.22 1.54 7.99 -0.45 -2.54 117.00 118.95 1k2h n LEU 45 Ca 0.12 0.44 0.29 0.00 -0.01 0.00 0.00 56.01 56.85 1k2h n LEU 45 Cb 0.02 -0.44 0.71 0.00 -0.11 0.00 0.00 43.42 43.60 1k2h n LEU 45 CO 0.37 -0.36 1.27 0.44 -1.51 0.00 0.00 177.39 177.61 1k2h h ASP 46 N 0.00 0.04 -1.03 -1.43 3.32 -0.07 -3.36 116.42 113.90 1k2h h ASP 46 Ca 0.00 0.01 0.01 0.00 0.02 0.00 0.00 57.03 57.06 1k2h h ASP 46 Cb 0.08 -0.00 -0.21 0.00 0.22 0.00 0.00 39.33 39.42 1k2h h ASP 46 CO 0.00 0.01 -0.40 0.54 -1.72 0.00 0.00 179.24 177.67 1k2h s VAL 47 N -5.01 -0.98 -0.28 -1.35 0.11 -1.05 -5.11 120.40 106.71 1k2h s VAL 47 Ca -0.05 -0.01 -0.29 0.00 -2.93 0.00 0.00 61.98 58.69 1k2h s VAL 47 Cb 0.22 -0.85 -0.02 0.00 -1.53 0.00 0.00 36.38 34.20 1k2h s VAL 47 CO 0.78 -0.01 1.61 -1.10 -3.33 0.00 0.00 175.10 173.05 1k2h s GLN 48 N 2.67 3.66 0.00 1.54 -0.21 -1.26 -4.55 119.66 121.51 1k2h s GLN 48 Ca 0.11 1.47 0.00 0.00 0.02 0.00 0.00 55.36 56.96 1k2h s GLN 48 Cb -0.09 -4.06 0.00 0.00 1.00 0.00 0.00 33.01 29.85 1k2h s GLN 48 CO -0.23 -1.46 0.00 1.63 -2.12 0.00 0.00 175.29 173.10 1k2h n LYS 49 N 7.89 0.00 -3.33 2.91 4.76 1.33 -4.72 118.16 127.00 1k2h n LYS 49 Ca 0.19 0.48 -0.46 0.00 -2.87 0.00 0.00 58.31 55.66 1k2h n LYS 49 Cb 0.46 -0.98 -0.06 0.00 -1.84 0.00 0.00 35.03 32.61 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 -3.04 6.18 0.38 4.39 1.01 -1.08 -4.89 116.67 119.62 1k2h s ASP 50 Ca 0.00 -1.65 0.28 0.00 0.71 0.00 0.00 52.55 51.89 1k2h s ASP 50 Cb 0.00 -2.20 1.02 0.00 1.01 0.00 0.00 42.92 42.75 1k2h s ASP 50 CO 0.00 -0.79 1.81 0.00 0.21 0.00 0.00 175.17 176.40 1k2h h ALA 51 N 8.85 1.00 -0.36 5.23 0.00 -1.84 -2.98 119.26 129.15 1k2h h ALA 51 Ca -0.30 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 0.99 0.00 -0.42 -0.44 0.00 0.00 0.00 179.25 179.38 1k2h h ASP 52 N 0.00 0.99 0.10 0.00 3.32 -1.98 -0.09 116.42 118.76 1k2h h ASP 52 Ca 0.00 -0.47 -0.00 0.00 0.02 0.00 0.00 57.03 56.57 1k2h h ASP 52 Cb 0.55 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.82 1k2h h ASP 52 CO 0.00 1.27 -0.05 0.00 -1.72 0.00 0.00 179.24 178.74 1k2h h ALA 53 N 0.77 -0.13 -0.72 3.45 0.00 -1.87 -1.93 119.26 118.82 1k2h h ALA 53 Ca 0.05 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 54.80 1k2h h ALA 53 Cb 1.02 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.82 1k2h h ALA 53 CO 0.10 -0.40 0.48 0.28 0.00 0.00 0.00 179.25 179.70 1k2h h VAL 54 N -0.47 1.18 -1.01 0.00 2.07 -1.59 -1.97 116.25 114.46 1k2h h VAL 54 Ca -0.01 -0.33 0.01 0.00 0.82 0.00 0.00 66.70 67.19 1k2h h VAL 54 Cb 0.39 0.13 -0.05 0.00 -1.52 0.00 0.00 31.29 30.24 1k2h h VAL 54 CO 0.02 0.18 0.67 -0.78 0.02 0.00 0.00 177.57 177.67 1k2h h ASP 55 N 0.96 1.15 -0.53 0.57 1.82 -0.73 -2.00 116.42 117.67 1k2h h ASP 55 Ca 0.27 -0.03 -0.11 0.00 -0.39 0.00 0.00 57.03 56.76 1k2h h ASP 55 Cb -0.09 -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 -0.11 0.11 -1.61 0.00 0.00 179.24 178.40 1k2h h LYS 56 N 1.36 1.02 -0.85 0.28 1.57 -0.59 -2.82 116.57 116.54 1k2h h LYS 56 Ca 0.37 -0.38 0.01 0.00 -1.87 0.00 0.00 60.65 58.78 1k2h h LYS 56 Cb -0.15 -0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.05 1k2h h LYS 56 CO -0.08 1.07 0.56 0.82 -0.57 0.00 0.00 179.45 181.25 1k2h h ILE 57 N 0.91 1.21 -0.19 1.86 2.04 -1.07 -0.75 117.51 121.53 1k2h h ILE 57 Ca 0.14 -0.39 -0.01 0.00 1.00 0.00 0.00 64.86 65.60 1k2h h ILE 57 Cb 0.68 -0.03 -0.01 0.00 -0.74 0.00 0.00 36.82 36.72 1k2h h ILE 57 CO 0.05 0.21 0.07 0.24 0.00 0.00 0.00 178.15 178.72 1k2h h MET 58 N 1.14 0.25 -0.99 2.37 2.86 -1.14 -2.52 114.93 116.90 1k2h h MET 58 Ca 0.31 -0.02 0.01 0.00 -2.06 0.00 0.00 59.70 57.93 1k2h h MET 58 Cb -0.13 -0.05 -0.05 0.00 0.06 0.00 0.00 31.60 31.43 1k2h h MET 58 CO -0.07 0.22 0.65 -0.22 1.06 0.00 0.00 176.91 178.54 1k2h h LYS 59 N 0.26 1.32 -0.54 1.72 3.64 -0.93 -2.39 116.57 119.65 1k2h h LYS 59 Ca 0.07 -0.09 -0.11 0.00 -1.27 0.00 0.00 60.65 59.25 1k2h h LYS 59 Cb 0.06 -0.29 -0.02 0.00 -0.41 0.00 0.00 32.23 31.57 1k2h h LYS 59 CO -0.01 0.88 -0.11 0.93 -2.27 0.00 0.00 179.45 178.88 1k2h h GLU 60 N 1.35 1.01 -0.94 1.90 5.08 -1.42 -1.37 114.58 120.18 1k2h h GLU 60 Ca 0.36 -0.37 0.01 0.00 -1.00 0.00 0.00 59.36 58.37 1k2h h GLU 60 Cb -0.14 -0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.00 1k2h h GLU 60 CO -0.08 1.05 0.63 -0.07 -1.00 0.00 0.00 179.01 179.54 1k2h h LEU 61 N 0.90 1.08 0.08 1.33 -0.00 -1.41 -1.39 115.31 115.89 1k2h h LEU 61 Ca 0.14 -0.03 -0.31 0.00 -0.00 0.00 0.00 57.88 57.69 1k2h h LEU 61 Cb 0.67 -0.27 -0.02 0.00 -0.00 0.00 0.00 40.66 41.04 1k2h h LEU 61 CO 0.05 0.78 -1.64 0.44 -0.00 0.00 0.00 178.44 178.07 1k2h h ASP 62 N 1.27 0.26 0.60 -0.43 3.32 -1.34 0.18 116.42 120.29 1k2h h ASP 62 Ca 0.35 -0.44 -0.13 0.00 0.02 0.00 0.00 57.03 56.83 1k2h h ASP 62 Cb -0.14 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 39.31 1k2h h ASP 62 CO -0.08 1.38 -0.61 1.05 -1.72 0.00 0.00 179.24 179.26 1k2h h GLU 63 N 0.05 0.01 -0.41 3.56 -0.00 -1.17 -3.36 114.58 113.27 1k2h h GLU 63 Ca -0.28 -0.01 -0.26 0.00 -0.00 0.00 0.00 59.36 58.82 1k2h h GLU 63 Cb 2.00 0.00 -0.29 0.00 -0.00 0.00 0.00 28.75 30.47 1k2h h GLU 63 CO 0.12 0.62 -0.78 -1.71 -0.00 0.00 0.00 179.01 177.26 1k2h n ASN 64 N -3.81 0.06 -0.26 3.06 5.15 -0.53 -4.93 115.26 114.00 1k2h n ASN 64 Ca -0.01 -2.38 0.31 0.00 -0.60 0.00 0.00 54.58 51.90 1k2h n ASN 64 Cb 0.61 0.11 0.71 0.00 -0.53 0.00 0.00 39.78 40.68 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 2.25 0.13 1.91 8.20 0.00 -0.69 1.37 103.07 116.25 1k2h h GLY 65 Ca -0.22 -0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.08 1k2h h GLY 65 CO 0.14 -0.01 0.00 1.22 0.00 0.00 0.00 176.54 177.89 1k2h n ASP 66 N -4.26 0.00 -3.73 0.19 8.00 -1.26 -2.12 116.55 113.37 1k2h n ASP 66 Ca 0.23 0.36 0.00 0.00 0.71 0.00 0.00 54.79 56.09 1k2h n ASP 66 Cb 1.09 -0.45 0.00 0.00 -0.02 0.00 0.00 41.12 41.73 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 1.41 -2.22 3.39 0.44 0.00 0.47 -4.72 105.19 103.95 1k2h n GLY 67 Ca 0.08 -1.10 -0.12 0.00 0.00 0.00 0.00 46.02 44.89 1k2h n GLY 67 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1k2h s GLU 68 N 0.00 1.22 0.08 1.61 -1.05 -1.26 -3.22 118.70 116.08 1k2h s GLU 68 Ca 0.00 -0.53 0.05 0.00 -0.15 0.00 0.00 54.97 54.34 1k2h s GLU 68 Cb 0.00 0.56 -0.03 0.00 -0.44 0.00 0.00 34.13 34.22 1k2h s GLU 68 CO 0.00 -0.52 -0.14 0.14 0.95 0.00 0.00 175.26 175.69 1k2h s VAL 69 N -3.76 1.14 0.00 1.83 -7.23 -0.89 -4.81 120.40 106.68 1k2h s VAL 69 Ca 0.01 -1.40 0.00 0.00 -1.81 0.00 0.00 61.98 58.78 1k2h s VAL 69 Cb -0.00 -1.17 0.00 0.00 0.56 0.00 0.00 36.38 35.77 1k2h s VAL 69 CO -0.13 -0.28 0.00 0.47 -0.31 0.00 0.00 175.10 174.85 1k2h n ASP 70 N 1.10 1.49 0.14 4.85 8.00 -1.26 -1.73 116.55 129.14 1k2h n ASP 70 Ca -0.20 0.00 -0.14 0.00 0.71 0.00 0.00 54.79 55.16 1k2h n ASP 70 Cb 0.55 0.00 -0.08 0.00 -0.02 0.00 0.00 41.12 41.57 1k2h n ASP 70 CO 0.00 0.00 0.00 2.19 -0.39 0.00 0.00 177.20 179.00 1k2h h PHE 71 N 0.00 -0.26 -0.00 1.24 -0.00 -1.94 0.51 116.94 116.49 1k2h h PHE 71 Ca 0.00 -0.01 -0.11 0.00 -0.00 0.00 0.00 57.97 57.86 1k2h h PHE 71 Cb 0.00 0.09 -0.02 0.00 -0.00 0.00 0.00 35.95 36.02 1k2h h PHE 71 CO 0.00 -0.16 -0.50 0.37 -0.00 0.00 0.00 178.31 178.02 1k2h h GLN 72 N -0.29 0.00 0.00 6.09 -0.00 -1.99 -1.52 115.11 117.41 1k2h h GLN 72 Ca -0.03 -0.00 -0.24 0.00 -0.00 0.00 0.00 58.65 58.38 1k2h h GLN 72 Cb 0.22 0.00 0.01 0.00 0.00 0.00 0.00 27.48 27.71 1k2h h GLN 72 CO 0.05 0.50 -0.98 0.93 0.00 0.00 0.00 178.83 179.34 1k2h h GLU 73 N 0.00 0.48 -0.17 1.69 5.08 -1.87 -1.94 114.58 117.85 1k2h h GLU 73 Ca -0.00 -0.52 -0.13 0.00 -1.00 0.00 0.00 59.36 57.70 1k2h h GLU 73 Cb 0.89 0.15 -0.01 0.00 0.50 0.00 0.00 28.75 30.28 1k2h h GLU 73 CO 0.07 1.17 -0.46 0.35 -1.00 0.00 0.00 179.01 179.13 1k2h h PHE 74 N 0.27 0.51 -0.09 4.33 3.04 0.23 -1.98 116.94 123.25 1k2h h PHE 74 Ca -0.09 -0.16 -0.21 0.00 3.98 0.00 0.00 57.97 61.49 1k2h h PHE 74 Cb 1.62 -0.11 0.01 0.00 2.56 0.00 0.00 35.95 40.04 1k2h h PHE 74 CO 0.07 0.81 -0.76 0.28 -2.02 0.00 0.00 178.31 176.69 1k2h h VAL 75 N 0.34 1.31 -0.30 1.41 2.07 -1.23 -1.66 116.25 118.19 1k2h h VAL 75 Ca 0.02 -2.01 -0.15 0.00 0.82 0.00 0.00 66.70 65.38 1k2h h VAL 75 Cb 0.94 2.20 -0.00 0.00 -1.52 0.00 0.00 31.29 32.91 1k2h h VAL 75 CO 0.08 0.62 -0.39 0.58 0.02 0.00 0.00 177.57 178.48 1k2h h VAL 76 N 0.33 1.29 -0.28 2.57 2.07 -1.34 -1.64 116.25 119.26 1k2h h VAL 76 Ca -0.07 -1.58 -0.18 0.00 0.82 0.00 0.00 66.70 65.69 1k2h h VAL 76 Cb 1.41 1.58 -0.00 0.00 -1.52 0.00 0.00 31.29 32.76 1k2h h VAL 76 CO 0.15 0.51 -0.55 0.25 0.02 0.00 0.00 177.57 177.95 1k2h h LEU 77 N 0.56 0.93 -0.44 2.57 6.46 -1.43 -2.15 115.31 121.82 1k2h h LEU 77 Ca 0.04 -0.50 -0.15 0.00 -0.12 0.00 0.00 57.88 57.15 1k2h h LEU 77 Cb 0.99 -0.27 -0.01 0.00 -0.73 0.00 0.00 40.66 40.64 1k2h h LEU 77 CO 0.09 1.29 -0.30 0.58 -0.62 0.00 0.00 178.44 179.49 1k2h h VAL 78 N 0.64 1.27 -0.95 1.05 2.07 -1.31 -2.03 116.25 117.00 1k2h h VAL 78 Ca 0.01 -1.47 -0.00 0.00 0.82 0.00 0.00 66.70 66.06 1k2h h VAL 78 Cb 1.15 1.24 -0.05 0.00 -1.52 0.00 0.00 31.29 32.12 1k2h h VAL 78 CO 0.12 0.50 0.58 0.00 0.02 0.00 0.00 177.57 178.79 1k2h h ALA 79 N 0.82 1.23 -1.01 1.67 0.00 -1.26 -1.20 119.26 119.52 1k2h h ALA 79 Ca 0.09 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.91 1k2h h ALA 79 Cb 0.89 -0.38 -0.05 0.00 0.00 0.00 0.00 17.79 18.25 1k2h h ALA 79 CO 0.08 0.66 0.67 0.00 0.00 0.00 0.00 179.25 180.66 1k2h h ALA 80 N 1.33 1.28 -0.46 0.00 0.00 -0.99 -1.15 119.26 119.27 1k2h h ALA 80 Ca 0.34 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 55.12 1k2h h ALA 80 Cb -0.07 -0.41 -0.02 0.00 0.00 0.00 0.00 17.79 17.30 1k2h h ALA 80 CO -0.06 0.67 0.04 1.25 0.00 0.00 0.00 179.25 181.14 1k2h h LEU 81 N 1.37 0.69 -1.50 0.00 6.46 -0.53 -2.08 115.31 119.72 1k2h h LEU 81 Ca 0.37 -0.14 0.05 0.00 -0.12 0.00 0.00 57.88 58.04 1k2h h LEU 81 Cb -0.16 -0.18 -0.04 0.00 -0.73 0.00 0.00 40.66 39.55 1k2h h LEU 81 CO -0.08 0.73 0.40 0.74 -0.62 0.00 0.00 178.44 179.62 1k2h h THR 82 N 0.70 1.02 -0.89 1.05 2.02 -0.48 -0.36 112.91 115.97 1k2h h THR 82 Ca 0.15 -0.22 0.01 0.00 0.77 0.00 0.00 66.41 67.12 1k2h h THR 82 Cb 0.37 0.34 -0.04 0.00 -1.74 0.00 0.00 68.15 67.07 1k2h h THR 82 CO 0.01 0.11 0.59 0.58 0.37 0.00 0.00 175.52 177.19 1k2h h VAL 83 N 0.63 1.23 0.00 3.16 2.07 -1.10 1.46 116.25 123.69 1k2h h VAL 83 Ca 0.26 -0.41 -0.01 0.00 0.82 0.00 0.00 66.70 67.35 1k2h h VAL 83 Cb 0.22 -0.08 -0.00 0.00 -1.52 0.00 0.00 31.29 29.91 1k2h h VAL 83 CO -0.08 0.22 -0.05 0.00 0.02 0.00 0.00 177.57 177.69 1k2h h ALA 84 N 1.33 1.02 -0.89 1.67 0.00 -1.07 -3.17 119.26 118.15 1k2h h ALA 84 Ca 0.33 -0.04 -0.39 0.00 0.00 0.00 0.00 54.91 54.81 1k2h h ALA 84 Cb -0.14 -0.01 -0.41 0.00 0.00 0.00 0.00 17.79 17.24 1k2h h ALA 84 CO -0.07 0.06 -1.05 0.00 0.00 0.00 0.00 179.25 178.19 1k2h n ASN 86 N -0.38 0.64 -4.75 0.00 0.23 0.48 -4.81 115.26 106.68 1k2h n ASN 86 Ca 0.18 -0.51 -0.39 0.00 -0.53 0.00 0.00 54.58 53.33 1k2h n ASN 86 Cb 0.81 -0.11 0.03 0.00 -2.08 0.00 0.00 39.78 38.43 1k2h n ASN 86 CO 0.00 0.00 0.00 -0.46 -0.93 0.00 0.00 177.26 175.87 1k2h n ASN 87 N 1.05 2.90 0.00 0.53 6.94 -1.26 -4.91 115.26 120.51 1k2h n ASN 87 Ca 0.00 1.03 0.00 0.00 -0.02 0.00 0.00 54.58 55.59 1k2h n ASN 87 Cb 0.10 -1.59 0.00 0.00 -2.36 0.00 0.00 39.78 35.93 1k2h n ASN 87 CO 0.00 0.00 0.00 0.49 -1.03 0.00 0.00 177.26 176.72 1k2h n PHE 88 N -0.76 0.00 -0.01 -2.53 3.72 -1.26 -4.85 117.46 111.77 1k2h n PHE 88 Ca 0.09 0.00 -0.04 0.00 -0.05 0.00 0.00 57.45 57.45 1k2h n PHE 88 Cb 0.43 0.00 -0.12 0.00 -0.94 0.00 0.00 39.48 38.85 1k2h n PHE 88 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 1k2h n PHE 89 N -1.14 0.74 -1.19 1.38 7.35 -1.26 -4.34 117.46 119.00 1k2h n PHE 89 Ca 0.00 0.25 -0.22 0.00 -0.76 0.00 0.00 57.45 56.73 1k2h n PHE 89 Cb 0.10 -1.07 -0.11 0.00 0.35 0.00 0.00 39.48 38.75 1k2h n PHE 89 CO 0.00 0.00 0.00 0.91 -0.76 0.00 0.00 176.76 176.91 1k2h n TRP 90 N -2.87 0.93 -2.25 -5.13 8.01 -1.26 -4.93 117.44 109.93 1k2h n TRP 90 Ca -0.16 -2.01 -0.39 0.00 -1.31 0.00 0.00 57.50 53.62 1k2h n TRP 90 Cb 0.95 -1.80 -0.02 0.00 -2.01 0.00 0.00 31.31 28.43 1k2h n TRP 90 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.69 175.47 1k2h s GLU 91 N 0.81 4.25 0.00 -0.99 2.02 -1.26 -4.90 118.70 118.63 1k2h s GLU 91 Ca 0.66 1.98 0.29 0.00 0.02 0.00 0.00 54.97 57.92 1k2h s GLU 91 Cb 0.29 -2.90 1.35 0.00 0.10 0.00 0.00 34.13 32.96 1k2h s GLU 91 CO -0.05 -0.19 1.98 0.27 0.02 0.00 0.00 175.26 177.29 1k2h n ASN 92 N 0.52 0.02 -0.11 -0.19 6.94 -1.26 -5.18 115.26 115.99 1k2h n ASN 92 Ca 0.02 0.19 0.16 0.00 -0.02 0.00 0.00 54.58 54.92 1k2h n ASN 92 Cb 0.44 -0.39 0.85 0.00 -2.36 0.00 0.00 39.78 38.33 1k2h n ASN 92 CO 0.00 0.00 0.00 -1.20 -1.03 0.00 0.00 177.26 175.03