#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 5.38 0.09 1.61 0.01 -1.26 -4.82 113.70 114.71 1k2h s SER 2 Ca 0.00 0.70 -0.23 0.00 1.31 0.00 0.00 55.95 57.73 1k2h s SER 2 Cb 0.00 -1.58 -0.14 0.00 0.21 0.00 0.00 66.02 64.50 1k2h s SER 2 CO 0.00 -1.23 1.73 -0.33 0.41 0.00 0.00 173.24 173.83 1k2h h GLU 3 N -0.33 0.02 -0.14 12.44 3.07 -2.06 0.28 114.58 127.86 1k2h h GLU 3 Ca -0.45 -0.00 -0.21 0.00 -0.50 0.00 0.00 59.36 58.20 1k2h h GLU 3 Cb 1.27 -0.00 0.01 0.00 -0.84 0.00 0.00 28.75 29.19 1k2h h GLU 3 CO 0.61 0.02 -0.72 -0.07 -1.40 0.00 0.00 179.01 177.45 1k2h h LEU 4 N 0.01 0.88 -0.71 1.33 3.38 -2.01 -3.10 115.31 115.09 1k2h h LEU 4 Ca 0.01 -0.64 -0.02 0.00 0.09 0.00 0.00 57.88 57.32 1k2h h LEU 4 Cb 0.01 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.46 1k2h h LEU 4 CO -0.00 1.37 0.37 -0.08 0.09 0.00 0.00 178.44 180.19 1k2h h GLU 5 N 0.44 1.01 -0.83 1.13 4.81 -1.92 -2.52 114.58 116.71 1k2h h GLU 5 Ca -0.05 -0.13 -0.04 0.00 -0.13 0.00 0.00 59.36 59.01 1k2h h GLU 5 Cb 1.36 -0.19 -0.04 0.00 0.63 0.00 0.00 28.75 30.51 1k2h h GLU 5 CO 0.15 0.77 0.36 1.15 -0.73 0.00 0.00 179.01 180.71 1k2h h THR 6 N 0.98 1.26 -0.40 0.32 2.02 -0.97 -2.96 112.91 113.16 1k2h h THR 6 Ca 0.25 -0.79 -0.16 0.00 0.77 0.00 0.00 66.41 66.48 1k2h h THR 6 Cb 0.07 0.24 -0.01 0.00 -1.74 0.00 0.00 68.15 66.72 1k2h h THR 6 CO -0.04 0.33 -0.36 0.00 0.37 0.00 0.00 175.52 175.82 1k2h h ALA 7 N 1.19 0.58 -0.67 6.16 0.00 -1.43 -3.09 119.26 122.00 1k2h h ALA 7 Ca 0.28 -0.45 0.01 0.00 0.00 0.00 0.00 54.91 54.75 1k2h h ALA 7 Cb 0.17 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 1k2h h ALA 7 CO -0.03 0.67 0.45 1.98 0.00 0.00 0.00 179.25 182.32 1k2h h MET 8 N 0.77 0.89 -0.99 0.00 -1.53 -1.31 -2.13 114.93 110.62 1k2h h MET 8 Ca 0.07 -0.05 0.01 0.00 -3.44 0.00 0.00 59.70 56.28 1k2h h MET 8 Cb 0.96 -0.20 -0.05 0.00 -0.55 0.00 0.00 31.60 31.76 1k2h h MET 8 CO 0.09 0.59 0.64 1.49 0.14 0.00 0.00 176.91 179.86 1k2h h GLU 9 N 0.91 1.31 -0.91 0.39 4.57 -1.52 -2.16 114.58 117.17 1k2h h GLU 9 Ca 0.25 -0.09 0.01 0.00 -1.18 0.00 0.00 59.36 58.35 1k2h h GLU 9 Cb -0.10 -0.29 -0.04 0.00 -0.16 0.00 0.00 28.75 28.15 1k2h h GLU 9 CO -0.05 0.88 0.60 1.15 -1.18 0.00 0.00 179.01 180.41 1k2h h THR 10 N 1.35 1.23 -0.99 0.32 2.02 -1.31 -2.43 112.91 113.09 1k2h h THR 10 Ca 0.36 -0.43 0.01 0.00 0.77 0.00 0.00 66.41 67.12 1k2h h THR 10 Cb -0.13 -0.10 -0.05 0.00 -1.74 0.00 0.00 68.15 66.12 1k2h h THR 10 CO -0.08 0.23 0.65 -0.07 0.37 0.00 0.00 175.52 176.62 1k2h h LEU 11 N 1.23 1.15 -0.40 2.58 3.38 -0.99 -2.47 115.31 119.79 1k2h h LEU 11 Ca 0.33 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.27 1k2h h LEU 11 Cb -0.14 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.30 1k2h h LEU 11 CO -0.07 0.84 0.26 0.40 0.09 0.00 0.00 178.44 179.96 1k2h h ILE 12 N 1.35 1.10 -0.86 1.22 2.04 -1.38 -2.77 117.51 118.21 1k2h h ILE 12 Ca 0.36 -0.18 -0.01 0.00 1.00 0.00 0.00 64.86 66.03 1k2h h ILE 12 Cb -0.14 0.52 -0.04 0.00 -0.74 0.00 0.00 36.82 36.41 1k2h h ILE 12 CO -0.08 0.10 0.51 -1.13 0.00 0.00 0.00 178.15 177.55 1k2h h ASN 13 N 0.54 1.04 -0.96 1.72 -0.73 -1.40 -2.83 115.58 112.97 1k2h h ASN 13 Ca 0.15 -0.07 -0.00 0.00 1.87 0.00 0.00 56.30 58.24 1k2h h ASN 13 Cb -0.06 -0.26 -0.05 0.00 0.27 0.00 0.00 38.32 38.22 1k2h h ASN 13 CO -0.03 0.81 0.58 0.58 -0.37 0.00 0.00 177.43 179.00 1k2h h VAL 14 N 1.19 1.26 -0.61 2.57 2.07 -1.19 -0.67 116.25 120.87 1k2h h VAL 14 Ca 0.31 -0.56 0.11 0.00 0.82 0.00 0.00 66.70 67.38 1k2h h VAL 14 Cb -0.03 -0.09 -0.04 0.00 -1.52 0.00 0.00 31.29 29.61 1k2h h VAL 14 CO -0.06 0.27 0.41 -0.26 0.02 0.00 0.00 177.57 177.96 1k2h h PHE 15 N 1.32 0.40 -0.35 1.57 0.04 -1.33 1.19 116.94 119.77 1k2h h PHE 15 Ca 0.34 0.01 0.06 0.00 2.80 0.00 0.00 57.97 61.18 1k2h h PHE 15 Cb -0.06 -0.13 -0.02 0.00 2.20 0.00 0.00 35.95 37.94 1k2h h PHE 15 CO 0.01 0.18 0.24 1.25 -0.60 0.00 0.00 178.31 179.38 1k2h h HIS 16 N 0.37 0.21 0.47 -0.55 2.76 -1.10 0.16 115.15 117.46 1k2h h HIS 16 Ca 0.28 0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.44 1k2h h HIS 16 Cb 0.62 -0.07 0.00 0.00 1.55 0.00 0.00 27.41 29.52 1k2h h HIS 16 CO -0.00 0.11 -0.23 0.00 -1.30 0.00 0.00 177.93 176.51 1k2h h ALA 17 N 1.82 -0.64 -0.15 5.26 0.00 0.15 2.45 119.26 128.15 1k2h h ALA 17 Ca 0.16 -0.15 -0.20 0.00 0.00 0.00 0.00 54.91 54.71 1k2h h ALA 17 Cb 0.36 0.25 0.01 0.00 0.00 0.00 0.00 17.79 18.40 1k2h h ALA 17 CO -0.03 -0.83 -0.69 0.45 0.00 0.00 0.00 179.25 178.15 1k2h h HIS 18 N -0.68 0.98 -0.48 0.00 3.86 -1.36 -3.28 115.15 114.20 1k2h h HIS 18 Ca -0.06 -0.43 0.00 0.00 -1.16 0.00 0.00 60.37 58.72 1k2h h HIS 18 Cb 0.51 -0.15 0.00 0.00 1.06 0.00 0.00 27.41 28.83 1k2h h HIS 18 CO -0.03 1.25 0.00 0.43 0.86 0.00 0.00 177.93 180.43 1k2h n SER 19 N -4.02 5.14 0.00 2.45 7.64 0.49 -4.56 113.62 120.76 1k2h n SER 19 Ca -0.07 -2.96 0.00 0.00 1.01 0.00 0.00 58.87 56.85 1k2h n SER 19 Cb 0.70 -0.64 0.00 0.00 -1.01 0.00 0.00 64.21 63.26 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 0.26 -0.21 3.71 0.23 0.00 0.82 -4.27 105.19 105.74 1k2h n GLY 20 Ca 0.26 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.86 1k2h n GLY 20 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1k2h s LYS 21 N -2.36 4.36 0.61 1.61 1.02 -1.26 -4.84 119.74 118.89 1k2h s LYS 21 Ca 0.00 1.90 0.31 0.00 0.02 0.00 0.00 55.97 58.20 1k2h s LYS 21 Cb 0.00 -3.37 1.74 0.00 -0.52 0.00 0.00 37.83 35.68 1k2h s LYS 21 CO 0.00 -0.39 2.09 1.49 -0.92 0.00 0.00 175.35 177.62 1k2h h GLU 22 N 7.03 0.00 0.00 1.68 4.81 -2.00 -3.22 114.58 122.88 1k2h h GLU 22 Ca -0.41 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.82 1k2h h GLU 22 Cb 1.20 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.58 1k2h h GLU 22 CO 0.85 0.00 0.00 0.41 -0.73 0.00 0.00 179.01 179.54 1k2h n GLY 23 N -1.34 -0.99 3.28 1.92 0.00 -1.26 -4.24 105.19 102.57 1k2h n GLY 23 Ca 0.01 0.00 -0.44 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 -2.60 6.03 0.35 1.61 1.01 -1.22 -4.90 116.67 116.95 1k2h s ASP 24 Ca 0.00 -1.80 0.15 0.00 0.71 0.00 0.00 52.55 51.60 1k2h s ASP 24 Cb 0.00 -2.14 0.65 0.00 1.01 0.00 0.00 42.92 42.44 1k2h s ASP 24 CO 0.00 -0.80 1.75 0.11 0.21 0.00 0.00 175.17 176.45 1k2h h LYS 25 N 8.74 0.00 -6.20 8.23 1.57 -1.74 -3.44 116.57 123.73 1k2h h LYS 25 Ca -0.27 0.00 -0.36 0.00 -1.87 0.00 0.00 60.65 58.15 1k2h h LYS 25 Cb 1.09 0.00 0.19 0.00 0.08 0.00 0.00 32.23 33.59 1k2h h LYS 25 CO 0.97 0.43 -1.13 0.66 -0.57 0.00 0.00 179.45 179.82 1k2h n TYR 26 N -3.82 -1.68 0.00 -1.35 4.01 -1.26 -4.75 117.16 108.32 1k2h n TYR 26 Ca -0.01 0.24 0.00 0.00 -0.16 0.00 0.00 57.90 57.97 1k2h n TYR 26 Cb 0.49 -1.45 0.00 0.00 -0.31 0.00 0.00 39.34 38.07 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 -0.69 0.00 -3.67 -0.72 3.00 -0.31 -4.64 118.16 111.12 1k2h n LYS 27 Ca 0.02 0.30 -0.01 0.00 -0.00 0.00 0.00 58.31 58.62 1k2h n LYS 27 Cb 0.52 -1.16 0.02 0.00 0.00 0.00 0.00 35.03 34.41 1k2h n LYS 27 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29 1k2h n LEU 28 N -1.16 0.00 -4.77 3.14 7.94 -1.19 -4.38 117.00 116.57 1k2h n LEU 28 Ca 0.00 -1.00 -0.33 0.00 -1.11 0.00 0.00 56.01 53.57 1k2h n LEU 28 Cb 0.00 2.24 0.05 0.00 0.53 0.00 0.00 43.42 46.24 1k2h n LEU 28 CO 0.00 -0.33 0.74 -0.44 -1.11 0.00 0.00 177.39 176.24 1k2h s SER 29 N -3.31 5.12 0.17 1.96 0.01 -1.26 -1.85 113.70 114.54 1k2h s SER 29 Ca 0.23 1.98 -0.15 0.00 1.31 0.00 0.00 55.95 59.32 1k2h s SER 29 Cb -0.02 -2.55 0.05 0.00 0.21 0.00 0.00 66.02 63.72 1k2h s SER 29 CO 0.03 -1.62 1.83 0.11 0.41 0.00 0.00 173.24 174.00 1k2h h LYS 30 N -0.01 0.64 -0.31 12.44 1.79 -1.41 2.26 116.57 131.97 1k2h h LYS 30 Ca -0.47 -0.04 -0.14 0.00 -2.18 0.00 0.00 60.65 57.83 1k2h h LYS 30 Cb 1.24 -0.14 -0.00 0.00 -1.58 0.00 0.00 32.23 31.75 1k2h h LYS 30 CO 0.54 0.42 -0.36 -0.22 -1.08 0.00 0.00 179.45 178.76 1k2h h LYS 31 N 0.66 0.78 -0.29 3.15 1.63 0.26 -2.95 116.57 119.81 1k2h h LYS 31 Ca 0.18 -0.43 -0.15 0.00 -0.85 0.00 0.00 60.65 59.40 1k2h h LYS 31 Cb -0.07 0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 31.58 1k2h h LYS 31 CO -0.04 1.06 -0.43 1.49 -3.45 0.00 0.00 179.45 178.08 1k2h h GLU 32 N 0.55 0.72 -0.65 1.90 4.57 -1.65 -3.06 114.58 116.95 1k2h h GLU 32 Ca 0.04 -0.39 0.08 0.00 -1.18 0.00 0.00 59.36 57.91 1k2h h GLU 32 Cb 0.94 0.02 -0.06 0.00 -0.16 0.00 0.00 28.75 29.49 1k2h h GLU 32 CO 0.09 1.01 0.32 1.25 -1.18 0.00 0.00 179.01 180.49 1k2h h LEU 33 N 0.58 0.41 -0.13 1.64 7.12 0.38 -1.78 115.31 123.55 1k2h h LEU 33 Ca 0.04 0.05 -0.02 0.00 0.13 0.00 0.00 57.88 58.08 1k2h h LEU 33 Cb 0.98 -0.02 -0.00 0.00 -0.53 0.00 0.00 40.66 41.09 1k2h h LEU 33 CO 0.09 0.25 -0.01 0.50 -0.13 0.00 0.00 178.44 179.14 1k2h h LYS 34 N 0.56 0.23 -0.99 1.25 1.63 -1.43 -2.15 116.57 115.68 1k2h h LYS 34 Ca 0.31 -0.08 0.01 0.00 -0.85 0.00 0.00 60.65 60.04 1k2h h LYS 34 Cb 0.30 -0.02 -0.05 0.00 -0.60 0.00 0.00 32.23 31.87 1k2h h LYS 34 CO -0.24 0.49 0.65 0.22 -3.45 0.00 0.00 179.45 177.11 1k2h h ASP 35 N -0.05 1.15 0.26 4.20 1.82 -1.43 -1.60 116.42 120.77 1k2h h ASP 35 Ca 0.03 -0.04 -0.01 0.00 -0.39 0.00 0.00 57.03 56.62 1k2h h ASP 35 Cb 0.39 -0.29 0.00 0.00 0.68 0.00 0.00 39.33 40.12 1k2h h ASP 35 CO 0.01 0.84 -0.13 0.25 -1.61 0.00 0.00 179.24 178.60 1k2h h LEU 36 N 1.35 -0.30 -0.36 2.28 5.85 -1.28 -2.97 115.31 119.88 1k2h h LEU 36 Ca 0.36 -0.23 -0.17 0.00 0.84 0.00 0.00 57.88 58.69 1k2h h LEU 36 Cb -0.14 0.08 -0.00 0.00 0.37 0.00 0.00 40.66 40.96 1k2h h LEU 36 CO -0.08 0.12 -0.44 -0.07 -0.34 0.00 0.00 178.44 177.64 1k2h h LEU 37 N -0.79 1.00 -2.09 2.25 -0.00 -1.38 -2.09 115.31 112.22 1k2h h LEU 37 Ca -0.04 -0.48 0.01 0.00 -0.00 0.00 0.00 57.88 57.37 1k2h h LEU 37 Cb 0.51 -0.28 -0.00 0.00 -0.00 0.00 0.00 40.66 40.88 1k2h h LEU 37 CO 0.06 1.29 0.04 -0.61 -0.00 0.00 0.00 178.44 179.21 1k2h h GLN 38 N 0.74 0.00 0.13 1.13 4.15 -1.40 0.26 115.11 120.11 1k2h h GLN 38 Ca 0.05 0.00 -0.20 0.00 0.77 0.00 0.00 58.65 59.26 1k2h h GLN 38 Cb 1.04 0.00 0.02 0.00 0.21 0.00 0.00 27.48 28.75 1k2h h GLN 38 CO 0.10 0.00 -0.88 1.15 -1.93 0.00 0.00 178.83 177.28 1k2h h THR 39 N 0.00 1.46 -0.92 2.39 2.02 -1.32 -3.06 112.91 113.48 1k2h h THR 39 Ca 0.02 -2.46 0.00 0.00 0.77 0.00 0.00 66.41 64.74 1k2h h THR 39 Cb 0.10 3.04 -0.05 0.00 -1.74 0.00 0.00 68.15 69.50 1k2h h THR 39 CO -0.00 0.71 0.59 -0.08 0.37 0.00 0.00 175.52 177.11 1k2h h GLU 40 N -0.22 1.23 -1.36 6.66 4.81 -0.63 -0.73 114.58 124.33 1k2h h GLU 40 Ca -0.15 -0.09 -0.31 0.00 -0.13 0.00 0.00 59.36 58.69 1k2h h GLU 40 Cb 1.66 -0.27 -0.15 0.00 0.63 0.00 0.00 28.75 30.62 1k2h h GLU 40 CO 0.17 0.83 0.40 1.28 -0.73 0.00 0.00 179.01 180.96 1k2h n LEU 41 N -4.38 6.01 -0.34 1.64 4.77 0.83 -4.58 117.00 120.96 1k2h n LEU 41 Ca 0.11 -3.10 0.21 0.00 -0.03 0.00 0.00 56.01 53.20 1k2h n LEU 41 Cb 0.03 -0.94 0.45 0.00 -2.33 0.00 0.00 43.42 40.63 1k2h n LEU 41 CO 0.37 1.10 1.18 -1.28 -1.33 0.00 0.00 177.39 177.43 1k2h h SER 42 N 1.19 0.57 0.00 -1.43 0.87 -1.02 2.34 113.55 116.07 1k2h h SER 42 Ca 0.30 0.12 0.00 0.00 -1.23 0.00 0.00 61.79 60.99 1k2h h SER 42 Cb 1.21 0.04 0.00 0.00 -0.44 0.00 0.00 62.40 63.21 1k2h h SER 42 CO 0.71 0.07 0.13 -1.28 -0.53 0.00 0.00 176.83 175.93 1k2h h SER 43 N 0.48 0.00 -0.99 6.23 0.87 -1.86 0.74 113.55 119.02 1k2h h SER 43 Ca 0.64 0.00 0.21 0.00 -1.23 0.00 0.00 61.79 61.41 1k2h h SER 43 Cb 1.41 0.00 -0.10 0.00 -0.44 0.00 0.00 62.40 63.27 1k2h h SER 43 CO -0.42 0.00 0.62 0.15 -0.53 0.00 0.00 176.83 176.64 1k2h h PHE 44 N 0.00 0.92 0.00 2.24 3.04 0.36 2.58 116.94 126.08 1k2h h PHE 44 Ca 0.00 0.03 0.00 0.00 3.98 0.00 0.00 57.97 61.98 1k2h h PHE 44 Cb 0.26 -0.28 0.00 0.00 2.56 0.00 0.00 35.95 38.49 1k2h h PHE 44 CO 0.00 0.19 0.00 1.28 -2.02 0.00 0.00 178.31 177.76 1k2h n LEU 45 N -4.71 0.23 -0.27 0.59 4.77 0.25 -2.75 117.00 115.12 1k2h n LEU 45 Ca 0.23 0.57 -0.02 0.00 -0.03 0.00 0.00 56.01 56.76 1k2h n LEU 45 Cb 0.65 -0.56 0.10 0.00 -2.33 0.00 0.00 43.42 41.28 1k2h n LEU 45 CO 0.23 -0.46 1.16 -2.24 -1.33 0.00 0.00 177.39 174.74 1k2h h ASP 46 N 0.00 0.75 -1.05 -1.43 2.03 0.44 -3.40 116.42 113.76 1k2h h ASP 46 Ca 0.00 0.01 -0.05 0.00 -0.73 0.00 0.00 57.03 56.26 1k2h h ASP 46 Cb 0.19 -0.15 -0.20 0.00 -0.83 0.00 0.00 39.33 38.34 1k2h h ASP 46 CO 0.00 0.51 -0.44 0.68 -1.03 0.00 0.00 179.24 178.96 1k2h s VAL 47 N -6.10 -0.97 -0.18 4.15 -7.23 -1.11 -5.11 120.40 103.85 1k2h s VAL 47 Ca -0.13 -0.04 -0.29 0.00 -1.81 0.00 0.00 61.98 59.71 1k2h s VAL 47 Cb 0.16 -0.34 -0.03 0.00 0.56 0.00 0.00 36.38 36.73 1k2h s VAL 47 CO 0.78 -0.03 1.62 0.00 -0.31 0.00 0.00 175.10 177.16 1k2h s GLN 48 N 2.14 3.90 0.00 4.82 -2.07 -1.25 -4.49 119.66 122.70 1k2h s GLN 48 Ca 0.14 1.80 0.00 0.00 -1.82 0.00 0.00 55.36 55.48 1k2h s GLN 48 Cb -0.06 -4.02 0.00 0.00 -1.09 0.00 0.00 33.01 27.84 1k2h s GLN 48 CO -0.13 -1.17 0.00 1.63 -1.32 0.00 0.00 175.29 174.30 1k2h n LYS 49 N 7.50 0.00 -3.35 9.60 4.76 1.05 -4.85 118.16 132.88 1k2h n LYS 49 Ca 0.18 0.00 -0.45 0.00 -2.87 0.00 0.00 58.31 55.17 1k2h n LYS 49 Cb 0.45 -0.23 -0.06 0.00 -1.84 0.00 0.00 35.03 33.35 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 -1.00 6.14 0.33 4.39 1.01 -0.34 -4.88 116.67 122.32 1k2h s ASP 50 Ca 0.00 -1.70 0.26 0.00 0.71 0.00 0.00 52.55 51.82 1k2h s ASP 50 Cb 0.00 -2.19 0.91 0.00 1.01 0.00 0.00 42.92 42.66 1k2h s ASP 50 CO 0.00 -0.80 1.77 0.00 0.21 0.00 0.00 175.17 176.35 1k2h h ALA 51 N 8.82 1.00 -0.38 5.23 0.00 -1.89 -3.06 119.26 128.99 1k2h h ALA 51 Ca -0.29 0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.46 1k2h h ALA 51 Cb 1.10 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 1k2h h ALA 51 CO 0.99 0.00 -0.41 -0.44 0.00 0.00 0.00 179.25 179.39 1k2h h ASP 52 N 0.00 1.01 0.07 0.00 3.32 -1.96 -0.06 116.42 118.81 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 0.60 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.87 1k2h h ASP 52 CO 0.00 1.28 -0.04 0.00 -1.72 0.00 0.00 179.24 178.76 1k2h h ALA 53 N 0.76 -0.10 -0.65 3.45 0.00 -1.88 -2.05 119.26 118.79 1k2h h ALA 53 Ca 0.06 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 54.81 1k2h h ALA 53 Cb 1.01 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.80 1k2h h ALA 53 CO 0.10 -0.40 0.43 0.28 0.00 0.00 0.00 179.25 179.66 1k2h h VAL 54 N -0.41 1.16 -0.88 0.00 2.07 -1.59 -1.78 116.25 114.83 1k2h h VAL 54 Ca -0.01 -0.30 0.01 0.00 0.82 0.00 0.00 66.70 67.22 1k2h h VAL 54 Cb 0.35 0.21 -0.04 0.00 -1.52 0.00 0.00 31.29 30.29 1k2h h VAL 54 CO 0.02 0.16 0.58 -0.78 0.02 0.00 0.00 177.57 177.57 1k2h h ASP 55 N 0.87 1.01 -0.78 0.57 1.82 -0.71 -1.85 116.42 117.36 1k2h h ASP 55 Ca 0.24 -0.03 -0.05 0.00 -0.39 0.00 0.00 57.03 56.80 1k2h h ASP 55 Cb -0.09 -0.25 -0.03 0.00 0.68 0.00 0.00 39.33 39.63 1k2h h ASP 55 CO -0.05 0.73 0.28 0.50 -1.61 0.00 0.00 179.24 179.09 1k2h h LYS 56 N 1.19 1.18 -0.67 0.28 3.64 -0.61 -2.82 116.57 118.76 1k2h h LYS 56 Ca 0.32 -0.23 0.01 0.00 -1.27 0.00 0.00 60.65 59.48 1k2h h LYS 56 Cb -0.14 -0.18 -0.03 0.00 -0.41 0.00 0.00 32.23 31.47 1k2h h LYS 56 CO -0.07 0.98 0.44 0.82 -2.27 0.00 0.00 179.45 179.35 1k2h h ILE 57 N 1.14 1.17 0.00 2.00 2.04 -1.01 -1.63 117.51 121.22 1k2h h ILE 57 Ca 0.25 -0.31 -0.01 0.00 1.00 0.00 0.00 64.86 65.80 1k2h h ILE 57 Cb 0.26 0.19 -0.00 0.00 -0.74 0.00 0.00 36.82 36.53 1k2h h ILE 57 CO -0.02 0.17 -0.03 0.24 0.00 0.00 0.00 178.15 178.51 1k2h h MET 58 N 0.91 0.00 -0.71 2.37 2.86 -1.17 -2.20 114.93 116.99 1k2h h MET 58 Ca 0.24 0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.81 1k2h h MET 58 Cb -0.11 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.53 1k2h h MET 58 CO -0.05 0.03 0.17 -0.22 1.06 0.00 0.00 176.91 177.90 1k2h h LYS 59 N 0.00 1.14 -0.60 1.72 1.63 -1.18 -1.51 116.57 117.78 1k2h h LYS 59 Ca -0.00 -0.28 -0.10 0.00 -0.85 0.00 0.00 60.65 59.42 1k2h h LYS 59 Cb 0.05 -0.15 -0.02 0.00 -0.60 0.00 0.00 32.23 31.51 1k2h h LYS 59 CO 0.00 1.01 -0.02 0.93 -3.45 0.00 0.00 179.45 177.92 1k2h h GLU 60 N 1.08 1.07 0.00 1.90 4.39 -1.36 -1.74 114.58 119.92 1k2h h GLU 60 Ca 0.22 -0.35 -0.09 0.00 0.34 0.00 0.00 59.36 59.48 1k2h h GLU 60 Cb 0.38 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.92 1k2h h GLU 60 CO 0.00 1.05 -0.45 -0.07 -1.16 0.00 0.00 179.01 178.39 1k2h h LEU 61 N 0.96 0.00 -0.38 1.33 3.38 -1.48 -2.70 115.31 116.43 1k2h h LEU 61 Ca 0.17 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.97 1k2h h LEU 61 Cb 0.58 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 1k2h h LEU 61 CO 0.03 0.45 -0.40 0.44 0.09 0.00 0.00 178.44 179.05 1k2h h ASP 62 N 0.00 1.01 -0.99 -0.43 3.32 -0.95 2.58 116.42 120.96 1k2h h ASP 62 Ca -0.00 -0.47 0.01 0.00 0.02 0.00 0.00 57.03 56.58 1k2h h ASP 62 Cb 0.99 -0.28 -0.05 0.00 0.22 0.00 0.00 39.33 40.21 1k2h h ASP 62 CO 0.06 1.28 0.65 -0.33 -1.72 0.00 0.00 179.24 179.17 1k2h h GLU 63 N 0.76 1.30 -0.64 3.56 4.39 -1.09 -3.36 114.58 119.50 1k2h h GLU 63 Ca 0.06 -0.08 -0.31 0.00 0.34 0.00 0.00 59.36 59.36 1k2h h GLU 63 Cb 1.00 -0.29 -0.21 0.00 -0.10 0.00 0.00 28.75 29.15 1k2h h GLU 63 CO 0.10 0.87 -0.67 -1.71 -1.16 0.00 0.00 179.01 176.44 1k2h n ASN 64 N -4.38 -2.07 0.14 1.42 5.15 -1.04 -4.98 115.26 109.51 1k2h n ASN 64 Ca 0.12 -3.10 0.06 0.00 -0.60 0.00 0.00 54.58 51.06 1k2h n ASN 64 Cb 0.02 1.12 0.54 0.00 -0.53 0.00 0.00 39.78 40.93 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 4.10 0.26 0.27 8.20 0.00 0.43 0.21 103.07 116.55 1k2h h GLY 65 Ca -0.07 -0.10 0.00 0.00 0.00 0.00 0.00 47.33 47.16 1k2h h GLY 65 CO 0.35 0.10 0.00 2.09 0.00 0.00 0.00 176.54 179.07 1k2h n ASP 66 N -4.51 0.70 -3.82 0.19 5.75 -1.26 0.23 116.55 113.83 1k2h n ASP 66 Ca -0.00 -1.27 0.00 0.00 -0.01 0.00 0.00 54.79 53.50 1k2h n ASP 66 Cb 0.08 -0.01 0.00 0.00 -1.03 0.00 0.00 41.12 40.16 1k2h n ASP 66 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1k2h n GLY 67 N 1.06 -2.81 3.21 6.12 0.00 0.75 -4.65 105.19 108.87 1k2h n GLY 67 Ca 0.21 -1.03 -0.09 0.00 0.00 0.00 0.00 46.02 45.11 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 0.85 0.04 1.61 2.02 -1.26 -3.09 118.70 118.86 1k2h s GLU 68 Ca 0.00 -0.94 0.02 0.00 0.02 0.00 0.00 54.97 54.08 1k2h s GLU 68 Cb 0.00 0.35 -0.02 0.00 0.10 0.00 0.00 34.13 34.56 1k2h s GLU 68 CO 0.00 -0.27 -0.08 0.14 0.02 0.00 0.00 175.26 175.07 1k2h s VAL 69 N -3.82 0.56 0.00 2.63 -7.23 -0.77 -4.69 120.40 107.08 1k2h s VAL 69 Ca 0.05 -0.95 0.00 0.00 -1.81 0.00 0.00 61.98 59.26 1k2h s VAL 69 Cb 0.05 -0.60 0.00 0.00 0.56 0.00 0.00 36.38 36.39 1k2h s VAL 69 CO -0.11 -0.28 0.00 -0.67 -0.31 0.00 0.00 175.10 173.73 1k2h n ASP 70 N 1.70 1.33 0.00 4.85 -0.08 -1.26 -1.16 116.55 121.93 1k2h n ASP 70 Ca -0.21 0.00 -0.11 0.00 -1.51 0.00 0.00 54.79 52.96 1k2h n ASP 70 Cb 0.55 0.00 -0.06 0.00 2.34 0.00 0.00 41.12 43.95 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 0.11 0.00 -0.67 -0.00 -1.97 0.45 116.94 114.86 1k2h h PHE 71 Ca 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 57.97 57.88 1k2h h PHE 71 Cb 0.00 -0.04 -0.01 0.00 -0.00 0.00 0.00 35.95 35.90 1k2h h PHE 71 CO 0.00 0.10 -0.43 0.37 -0.00 0.00 0.00 178.31 178.35 1k2h h GLN 72 N 0.09 0.00 0.13 6.09 -0.00 -1.99 -1.62 115.11 117.81 1k2h h GLN 72 Ca 0.03 0.00 -0.28 0.00 -0.00 0.00 0.00 58.65 58.40 1k2h h GLN 72 Cb 0.02 0.00 0.00 0.00 0.00 0.00 0.00 27.48 27.50 1k2h h GLN 72 CO -0.01 0.43 -1.30 0.93 0.00 0.00 0.00 178.83 178.88 1k2h h GLU 73 N 0.00 0.27 -0.37 1.69 5.08 -1.85 -2.19 114.58 117.21 1k2h h GLU 73 Ca -0.00 -0.46 -0.15 0.00 -1.00 0.00 0.00 59.36 57.74 1k2h h GLU 73 Cb 0.84 0.17 -0.01 0.00 0.50 0.00 0.00 28.75 30.26 1k2h h GLU 73 CO 0.06 1.20 -0.36 0.35 -1.00 0.00 0.00 179.01 179.26 1k2h h PHE 74 N 0.07 1.04 -0.05 4.33 3.04 0.05 -1.96 116.94 123.47 1k2h h PHE 74 Ca -0.16 -0.30 -0.24 0.00 3.98 0.00 0.00 57.97 61.25 1k2h h PHE 74 Cb 1.98 -0.22 0.02 0.00 2.56 0.00 0.00 35.95 40.29 1k2h h PHE 74 CO 0.06 1.10 -0.93 0.28 -2.02 0.00 0.00 178.31 176.81 1k2h h VAL 75 N 0.72 1.29 -0.20 1.41 2.07 -1.35 -1.99 116.25 118.21 1k2h h VAL 75 Ca 0.07 -2.14 -0.19 0.00 0.82 0.00 0.00 66.70 65.26 1k2h h VAL 75 Cb 0.94 2.27 0.01 0.00 -1.52 0.00 0.00 31.29 32.98 1k2h h VAL 75 CO 0.09 0.66 -0.62 0.58 0.02 0.00 0.00 177.57 178.31 1k2h h VAL 76 N 0.41 1.29 -0.24 2.57 2.07 -1.42 -1.92 116.25 119.02 1k2h h VAL 76 Ca -0.10 -1.83 -0.20 0.00 0.82 0.00 0.00 66.70 65.39 1k2h h VAL 76 Cb 1.57 1.88 0.00 0.00 -1.52 0.00 0.00 31.29 33.23 1k2h h VAL 76 CO 0.18 0.58 -0.64 0.25 0.02 0.00 0.00 177.57 177.96 1k2h h LEU 77 N 0.50 0.97 -0.44 2.57 5.85 -1.44 -2.33 115.31 120.97 1k2h h LEU 77 Ca -0.02 -0.56 -0.15 0.00 0.84 0.00 0.00 57.88 57.98 1k2h h LEU 77 Cb 1.24 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.98 1k2h h LEU 77 CO 0.13 1.37 -0.37 0.58 -0.34 0.00 0.00 178.44 179.81 1k2h h VAL 78 N 0.62 1.27 -0.74 1.05 2.07 -1.40 0.24 116.25 119.36 1k2h h VAL 78 Ca -0.01 -1.54 -0.01 0.00 0.82 0.00 0.00 66.70 65.96 1k2h h VAL 78 Cb 1.26 1.38 -0.04 0.00 -1.52 0.00 0.00 31.29 32.37 1k2h h VAL 78 CO 0.14 0.52 0.44 0.00 0.02 0.00 0.00 177.57 178.68 1k2h h ALA 79 N 0.83 1.37 0.00 1.67 0.00 -1.34 0.19 119.26 121.99 1k2h h ALA 79 Ca 0.06 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 1k2h h ALA 79 Cb 0.95 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 1k2h h ALA 79 CO 0.09 0.54 -0.17 0.00 0.00 0.00 0.00 179.25 179.71 1k2h h ALA 80 N 1.45 1.06 0.15 0.00 0.00 -0.88 -2.51 119.26 118.53 1k2h h ALA 80 Ca 0.27 -0.15 -0.29 0.00 0.00 0.00 0.00 54.91 54.74 1k2h h ALA 80 Cb -0.02 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 17.75 1k2h h ALA 80 CO -0.05 0.21 -1.31 1.25 0.00 0.00 0.00 179.25 179.34 1k2h h LEU 81 N 0.00 0.51 -0.40 0.00 5.85 0.14 -3.23 115.31 118.18 1k2h h LEU 81 Ca -0.00 -0.55 -0.16 0.00 0.84 0.00 0.00 57.88 58.01 1k2h h LEU 81 Cb 0.62 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.48 1k2h h LEU 81 CO 0.02 1.43 -0.41 0.74 -0.34 0.00 0.00 178.44 179.89 1k2h h THR 82 N 0.09 1.27 -0.81 1.05 2.02 -0.92 -2.71 112.91 112.91 1k2h h THR 82 Ca -0.17 -1.58 0.07 0.00 0.77 0.00 0.00 66.41 65.51 1k2h h THR 82 Cb 2.02 1.41 -0.05 0.00 -1.74 0.00 0.00 68.15 69.79 1k2h h THR 82 CO 0.22 0.53 0.53 1.62 0.37 0.00 0.00 175.52 178.78 1k2h h VAL 83 N 0.74 1.01 0.00 3.16 3.04 -1.55 1.28 116.25 123.94 1k2h h VAL 83 Ca 0.06 -0.29 -0.01 0.00 -1.01 0.00 0.00 66.70 65.44 1k2h h VAL 83 Cb 1.00 0.10 -0.00 0.00 -2.01 0.00 0.00 31.29 30.38 1k2h h VAL 83 CO 0.10 0.15 -0.06 0.00 -1.01 0.00 0.00 177.57 176.75 1k2h h ALA 84 N 1.57 1.27 -1.48 3.17 0.00 -1.50 -3.18 119.26 119.11 1k2h h ALA 84 Ca 0.35 -0.05 -0.44 0.00 0.00 0.00 0.00 54.91 54.76 1k2h h ALA 84 Cb 0.29 -0.01 -0.33 0.00 0.00 0.00 0.00 17.79 17.74 1k2h h ALA 84 CO -0.13 0.08 -0.98 0.00 0.00 0.00 0.00 179.25 178.22 1k2h n ASN 86 N 0.88 0.66 -4.74 0.00 5.15 0.37 -4.77 115.26 112.81 1k2h n ASN 86 Ca 0.19 -2.23 -0.42 0.00 -0.60 0.00 0.00 54.58 51.52 1k2h n ASN 86 Cb 0.61 -0.45 -0.02 0.00 -0.53 0.00 0.00 39.78 39.39 1k2h n ASN 86 CO 0.00 0.00 0.00 0.20 1.40 0.00 0.00 177.26 178.86 1k2h s ASN 87 N 6.25 6.36 0.00 1.20 0.01 -1.26 -4.90 114.94 122.60 1k2h s ASN 87 Ca 0.51 2.93 0.00 0.00 -0.71 0.00 0.00 52.86 55.59 1k2h s ASN 87 Cb 0.11 -2.62 0.00 0.00 0.41 0.00 0.00 41.25 39.15 1k2h s ASN 87 CO 0.26 -0.95 0.00 0.33 -1.51 0.00 0.00 177.10 175.23 1k2h n PHE 88 N 2.94 0.00 0.99 2.20 7.35 -1.26 -4.89 117.46 124.79 1k2h n PHE 88 Ca 0.12 0.00 0.14 0.00 -0.76 0.00 0.00 57.45 56.94 1k2h n PHE 88 Cb 0.36 0.00 0.61 0.00 0.35 0.00 0.00 39.48 40.80 1k2h n PHE 88 CO 0.00 0.00 0.00 1.97 -0.76 0.00 0.00 176.76 177.97 1k2h n PHE 89 N 0.00 0.03 -0.61 -5.13 1.16 -1.26 -4.05 117.46 107.60 1k2h n PHE 89 Ca 0.00 0.01 -0.07 0.00 -1.87 0.00 0.00 57.45 55.52 1k2h n PHE 89 Cb 0.00 -0.51 -0.09 0.00 -1.61 0.00 0.00 39.48 37.27 1k2h n PHE 89 CO 0.00 0.00 0.00 0.91 -1.87 0.00 0.00 176.76 175.80 1k2h n TRP 90 N -1.52 0.00 -2.05 2.97 8.01 -1.26 -4.89 117.44 118.70 1k2h n TRP 90 Ca 0.07 -0.94 -0.41 0.00 -1.31 0.00 0.00 57.50 54.91 1k2h n TRP 90 Cb 0.34 -1.07 -0.02 0.00 -2.01 0.00 0.00 31.31 28.55 1k2h n TRP 90 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.69 174.68 1k2h s GLU 91 N 1.52 4.30 0.09 -0.99 2.12 -1.26 -4.94 118.70 119.55 1k2h s GLU 91 Ca 0.37 2.28 -0.31 0.00 0.36 0.00 0.00 54.97 57.67 1k2h s GLU 91 Cb 0.18 -3.07 -0.07 0.00 0.26 0.00 0.00 34.13 31.43 1k2h s GLU 91 CO 0.00 -0.28 1.30 1.21 -0.54 0.00 0.00 175.26 176.95 1k2h s ASN 92 N -0.25 6.94 0.00 -1.70 3.04 -1.26 -5.16 114.94 116.55 1k2h s ASN 92 Ca 0.52 2.18 0.00 0.00 0.04 0.00 0.00 52.86 55.60 1k2h s ASN 92 Cb -0.41 -2.58 0.00 0.00 -1.54 0.00 0.00 41.25 36.72 1k2h s ASN 92 CO 0.52 -0.57 0.00 -1.20 -3.04 0.00 0.00 177.10 172.81