#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 4.67 0.08 1.61 1.04 -1.26 -4.79 113.70 115.05 1k2h s SER 2 Ca 0.00 0.79 -0.24 0.00 0.48 0.00 0.00 55.95 56.98 1k2h s SER 2 Cb 0.00 -1.34 -0.16 0.00 0.10 0.00 0.00 66.02 64.62 1k2h s SER 2 CO 0.00 -1.79 1.68 -0.33 0.98 0.00 0.00 173.24 173.78 1k2h h GLU 3 N -0.94 -0.03 0.07 4.02 3.07 -2.06 -0.19 114.58 118.52 1k2h h GLU 3 Ca -0.46 0.00 -0.26 0.00 -0.50 0.00 0.00 59.36 58.14 1k2h h GLU 3 Cb 1.32 0.01 0.02 0.00 -0.84 0.00 0.00 28.75 29.26 1k2h h GLU 3 CO 0.65 0.03 -1.07 -0.07 -1.40 0.00 0.00 179.01 177.15 1k2h h LEU 4 N -0.09 0.83 -0.72 1.33 3.38 -2.00 -3.16 115.31 114.88 1k2h h LEU 4 Ca -0.00 -0.79 -0.02 0.00 0.09 0.00 0.00 57.88 57.15 1k2h h LEU 4 Cb 0.08 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.54 1k2h h LEU 4 CO 0.01 1.53 0.36 -0.08 0.09 0.00 0.00 178.44 180.34 1k2h h GLU 5 N 0.23 1.03 -1.00 1.13 4.81 -1.94 -2.38 114.58 116.47 1k2h h GLU 5 Ca -0.15 -0.15 0.01 0.00 -0.13 0.00 0.00 59.36 58.94 1k2h h GLU 5 Cb 1.75 -0.19 -0.05 0.00 0.63 0.00 0.00 28.75 30.89 1k2h h GLU 5 CO 0.21 0.80 0.65 1.15 -0.73 0.00 0.00 179.01 181.09 1k2h h THR 6 N 1.01 1.26 -0.46 0.32 2.02 -1.10 -2.71 112.91 113.25 1k2h h THR 6 Ca 0.25 -0.49 -0.13 0.00 0.77 0.00 0.00 66.41 66.81 1k2h h THR 6 Cb 0.10 -0.20 -0.01 0.00 -1.74 0.00 0.00 68.15 66.30 1k2h h THR 6 CO -0.03 0.25 -0.23 0.00 0.37 0.00 0.00 175.52 175.88 1k2h h ALA 7 N 1.36 0.65 -0.82 6.16 0.00 -1.43 -3.03 119.26 122.15 1k2h h ALA 7 Ca 0.36 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1k2h h ALA 7 Cb -0.14 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.45 1k2h h ALA 7 CO -0.08 0.65 0.48 1.98 0.00 0.00 0.00 179.25 182.29 1k2h h MET 8 N 0.82 1.12 -0.80 0.00 -1.53 -1.13 -2.43 114.93 110.97 1k2h h MET 8 Ca 0.10 -0.11 -0.05 0.00 -3.44 0.00 0.00 59.70 56.21 1k2h h MET 8 Cb 0.81 -0.23 -0.04 0.00 -0.55 0.00 0.00 31.60 31.59 1k2h h MET 8 CO 0.07 0.79 0.32 0.93 0.14 0.00 0.00 176.91 179.16 1k2h h GLU 9 N 1.12 1.20 -0.79 0.39 4.39 -1.46 -2.73 114.58 116.71 1k2h h GLU 9 Ca 0.29 -0.22 -0.05 0.00 0.34 0.00 0.00 59.36 59.72 1k2h h GLU 9 Cb -0.03 -0.19 -0.03 0.00 -0.10 0.00 0.00 28.75 28.39 1k2h h GLU 9 CO -0.05 0.97 0.30 1.15 -1.16 0.00 0.00 179.01 180.21 1k2h h THR 10 N 1.17 1.26 -0.99 1.13 2.02 -1.34 -2.87 112.91 113.29 1k2h h THR 10 Ca 0.27 -0.85 0.01 0.00 0.77 0.00 0.00 66.41 66.61 1k2h h THR 10 Cb 0.22 0.34 -0.05 0.00 -1.74 0.00 0.00 68.15 66.92 1k2h h THR 10 CO -0.02 0.34 0.66 -0.07 0.37 0.00 0.00 175.52 176.80 1k2h h LEU 11 N 1.15 1.14 -0.53 2.58 3.38 -1.13 -2.41 115.31 119.50 1k2h h LEU 11 Ca 0.26 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.18 1k2h h LEU 11 Cb 0.24 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 1k2h h LEU 11 CO -0.02 0.83 0.26 0.40 0.09 0.00 0.00 178.44 180.00 1k2h h ILE 12 N 1.35 1.19 -0.98 1.22 2.04 -1.41 -2.53 117.51 118.39 1k2h h ILE 12 Ca 0.36 -0.53 0.01 0.00 1.00 0.00 0.00 64.86 65.70 1k2h h ILE 12 Cb -0.16 0.58 -0.05 0.00 -0.74 0.00 0.00 36.82 36.45 1k2h h ILE 12 CO -0.08 0.21 0.64 -1.13 0.00 0.00 0.00 178.15 177.80 1k2h h ASN 13 N 0.71 1.12 -0.54 1.72 -0.00 -1.35 -2.59 115.58 114.64 1k2h h ASN 13 Ca 0.18 -0.03 -0.10 0.00 -0.00 0.00 0.00 56.30 56.35 1k2h h ASN 13 Cb 0.10 -0.28 -0.02 0.00 -0.00 0.00 0.00 38.32 38.12 1k2h h ASN 13 CO -0.02 0.82 -0.05 0.58 -0.00 0.00 0.00 177.43 178.75 1k2h h VAL 14 N 1.33 1.26 -0.99 2.57 2.07 -1.18 -2.54 116.25 118.77 1k2h h VAL 14 Ca 0.36 -1.19 0.21 0.00 0.82 0.00 0.00 66.70 66.90 1k2h h VAL 14 Cb -0.15 0.88 -0.10 0.00 -1.52 0.00 0.00 31.29 30.40 1k2h h VAL 14 CO -0.08 0.43 0.62 -0.26 0.02 0.00 0.00 177.57 178.30 1k2h h PHE 15 N 0.92 0.89 -0.57 1.57 0.04 -1.05 0.91 116.94 119.65 1k2h h PHE 15 Ca 0.16 0.03 0.01 0.00 2.80 0.00 0.00 57.97 60.96 1k2h h PHE 15 Cb 0.60 -0.27 -0.03 0.00 2.20 0.00 0.00 35.95 38.45 1k2h h PHE 15 CO 0.04 0.18 0.38 1.25 -0.60 0.00 0.00 178.31 179.56 1k2h h HIS 16 N 0.62 0.72 0.57 -0.55 2.76 -1.41 0.63 115.15 118.49 1k2h h HIS 16 Ca 0.56 0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 58.73 1k2h h HIS 16 Cb 1.08 -0.24 -0.01 0.00 1.55 0.00 0.00 27.41 29.78 1k2h h HIS 16 CO -0.00 0.46 -0.44 0.00 -1.30 0.00 0.00 177.93 176.64 1k2h h ALA 17 N 1.64 -1.05 -0.15 5.26 0.00 0.87 2.67 119.26 128.51 1k2h h ALA 17 Ca 0.21 -0.19 -0.23 0.00 0.00 0.00 0.00 54.91 54.70 1k2h h ALA 17 Cb -0.09 0.59 0.01 0.00 0.00 0.00 0.00 17.79 18.30 1k2h h ALA 17 CO -0.05 -1.12 -0.79 0.45 0.00 0.00 0.00 179.25 177.75 1k2h h HIS 18 N -0.98 1.08 -0.00 0.00 3.86 -1.48 -3.19 115.15 114.43 1k2h h HIS 18 Ca -0.07 -0.48 0.00 0.00 -1.16 0.00 0.00 60.37 58.66 1k2h h HIS 18 Cb 0.83 -0.16 0.00 0.00 1.06 0.00 0.00 27.41 29.13 1k2h h HIS 18 CO -0.17 1.32 -0.15 0.43 0.86 0.00 0.00 177.93 180.22 1k2h n SER 19 N -3.94 0.38 -0.37 2.45 7.64 0.20 -3.95 113.62 116.04 1k2h n SER 19 Ca -0.08 -0.32 0.01 0.00 1.01 0.00 0.00 58.87 59.49 1k2h n SER 19 Cb 0.75 -0.10 0.15 0.00 -1.01 0.00 0.00 64.21 64.00 1k2h n SER 19 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 1k2h h GLY 20 N 4.98 1.49 2.00 0.23 0.00 0.47 0.11 103.07 112.35 1k2h h GLY 20 Ca 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 47.33 46.83 1k2h h GLY 20 CO 0.00 0.41 0.00 1.17 0.00 0.00 0.00 176.54 178.12 1k2h n LYS 21 N -4.45 0.13 -2.66 4.80 4.81 -1.25 -4.76 118.16 114.77 1k2h n LYS 21 Ca 0.14 0.21 -0.39 0.00 -0.87 0.00 0.00 58.31 57.40 1k2h n LYS 21 Cb 0.12 -1.69 -0.05 0.00 0.02 0.00 0.00 35.03 33.43 1k2h n LYS 21 CO 0.00 0.00 0.00 -2.00 1.17 0.00 0.00 177.40 176.57 1k2h s GLU 22 N -3.10 4.70 0.46 1.64 2.56 0.39 -4.92 118.70 120.42 1k2h s GLU 22 Ca 0.10 1.55 0.12 0.00 0.00 0.00 0.00 54.97 56.73 1k2h s GLU 22 Cb 0.13 -3.11 1.05 0.00 2.00 0.00 0.00 34.13 34.20 1k2h s GLU 22 CO 0.48 0.34 2.08 0.78 -0.56 0.00 0.00 175.26 178.39 1k2h h GLY 23 N 3.76 0.34 -6.34 -1.50 0.00 -1.86 -3.39 103.07 94.08 1k2h h GLY 23 Ca -0.46 -0.12 -0.60 0.00 0.00 0.00 0.00 47.33 46.15 1k2h h GLY 23 CO 0.67 0.11 -0.43 0.99 0.00 0.00 0.00 176.54 177.88 1k2h s ASP 24 N -6.75 6.26 0.42 0.19 1.01 -1.26 -4.97 116.67 111.57 1k2h s ASP 24 Ca -0.07 0.29 0.10 0.00 0.71 0.00 0.00 52.55 53.59 1k2h s ASP 24 Cb 0.18 -2.13 0.91 0.00 1.01 0.00 0.00 42.92 42.89 1k2h s ASP 24 CO 0.71 0.12 2.00 0.11 0.21 0.00 0.00 175.17 178.32 1k2h h LYS 25 N 6.88 0.26 -6.47 8.23 6.56 -1.83 -3.43 116.57 126.77 1k2h h LYS 25 Ca -0.40 -0.04 -0.45 0.00 -1.06 0.00 0.00 60.65 58.70 1k2h h LYS 25 Cb 1.16 -0.05 0.24 0.00 -0.57 0.00 0.00 32.23 33.01 1k2h h LYS 25 CO 0.74 0.29 -1.52 0.66 -2.06 0.00 0.00 179.45 177.56 1k2h n TYR 26 N -4.38 -1.40 0.00 -1.35 4.01 -1.26 -4.80 117.16 107.98 1k2h n TYR 26 Ca -0.00 0.28 0.00 0.00 -0.16 0.00 0.00 57.90 58.02 1k2h n TYR 26 Cb 0.18 -1.50 0.00 0.00 -0.31 0.00 0.00 39.34 37.71 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 -0.83 0.00 -3.03 -0.72 3.00 -0.94 -4.82 118.16 110.82 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 -0.30 0.00 0.00 0.00 0.00 0.00 35.03 35.39 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 -4.24 3.14 -0.00 -1.13 -4.56 117.00 110.21 1k2h n LEU 28 Ca 0.00 0.00 -0.37 0.00 -0.00 0.00 0.00 56.01 55.64 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 -0.65 -0.24 -0.00 0.00 0.00 177.39 176.50 1k2h n SER 29 N 0.09 -3.69 0.14 1.45 2.88 -1.26 -1.91 113.62 111.32 1k2h n SER 29 Ca 0.00 0.46 -0.13 0.00 -1.33 0.00 0.00 58.87 57.86 1k2h n SER 29 Cb 0.00 -0.94 -0.08 0.00 -0.75 0.00 0.00 64.21 62.44 1k2h n SER 29 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 1k2h h LYS 30 N -0.55 -0.36 -0.60 -1.46 1.79 -1.47 -1.74 116.57 112.18 1k2h h LYS 30 Ca -0.43 0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.06 1k2h h LYS 30 Cb 1.36 0.08 -0.03 0.00 -1.58 0.00 0.00 32.23 32.06 1k2h h LYS 30 CO 0.35 -0.04 0.39 0.87 -1.08 0.00 0.00 179.45 179.94 1k2h h LYS 31 N -0.71 0.80 -0.06 3.15 1.79 -1.78 -2.05 116.57 117.71 1k2h h LYS 31 Ca -0.04 -0.06 -0.11 0.00 -2.18 0.00 0.00 60.65 58.26 1k2h h LYS 31 Cb 0.48 -0.18 -0.01 0.00 -1.58 0.00 0.00 32.23 30.94 1k2h h LYS 31 CO 0.06 0.54 -0.47 1.49 -1.08 0.00 0.00 179.45 179.99 1k2h h GLU 32 N 0.81 0.15 -0.60 3.15 4.81 -1.86 -2.81 114.58 118.23 1k2h h GLU 32 Ca 0.22 -0.08 0.01 0.00 -0.13 0.00 0.00 59.36 59.38 1k2h h GLU 32 Cb -0.07 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.28 1k2h h GLU 32 CO -0.05 0.60 0.40 1.25 -0.73 0.00 0.00 179.01 180.47 1k2h h LEU 33 N 0.12 0.68 0.42 1.64 7.12 -0.64 -2.15 115.31 122.50 1k2h h LEU 33 Ca 0.01 -0.02 -0.02 0.00 0.13 0.00 0.00 57.88 57.98 1k2h h LEU 33 Cb 0.89 -0.17 0.00 0.00 -0.53 0.00 0.00 40.66 40.85 1k2h h LEU 33 CO 0.07 0.49 -0.20 0.50 -0.13 0.00 0.00 178.44 179.17 1k2h h LYS 34 N 0.81 -0.54 -0.32 1.25 3.64 -1.15 -2.39 116.57 117.86 1k2h h LYS 34 Ca 0.22 0.04 0.09 0.00 -1.27 0.00 0.00 60.65 59.73 1k2h h LYS 34 Cb -0.09 0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.84 1k2h h LYS 34 CO -0.05 -0.24 0.28 -0.44 -2.27 0.00 0.00 179.45 176.73 1k2h h ASP 35 N -0.82 0.00 0.08 4.20 3.32 -1.47 -2.41 116.42 119.32 1k2h h ASP 35 Ca -0.06 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 56.99 1k2h h ASP 35 Cb 0.55 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.10 1k2h h ASP 35 CO 0.09 0.00 -0.04 0.25 -1.72 0.00 0.00 179.24 177.83 1k2h h LEU 36 N 0.00 -0.09 -0.20 1.55 5.85 -1.17 -3.14 115.31 118.12 1k2h h LEU 36 Ca 0.15 -0.52 -0.07 0.00 0.84 0.00 0.00 57.88 58.28 1k2h h LEU 36 Cb 0.71 0.02 -0.00 0.00 0.37 0.00 0.00 40.66 41.76 1k2h h LEU 36 CO -0.00 0.56 -0.15 -0.07 -0.34 0.00 0.00 178.44 178.44 1k2h h LEU 37 N -0.83 0.47 -2.23 2.25 4.07 -1.09 -0.89 115.31 117.05 1k2h h LEU 37 Ca -0.01 -0.45 -0.01 0.00 0.08 0.00 0.00 57.88 57.49 1k2h h LEU 37 Cb 0.60 -0.13 -0.00 0.00 1.08 0.00 0.00 40.66 42.21 1k2h h LEU 37 CO 0.02 0.82 -0.03 1.56 -1.08 0.00 0.00 178.44 179.73 1k2h h GLN 38 N 0.13 0.00 0.01 1.13 4.20 -1.61 0.12 115.11 119.08 1k2h h GLN 38 Ca 0.04 0.00 -0.27 0.00 0.06 0.00 0.00 58.65 58.48 1k2h h GLN 38 Cb 0.67 0.00 0.02 0.00 0.30 0.00 0.00 27.48 28.47 1k2h h GLN 38 CO 0.04 0.03 -1.06 1.15 -0.67 0.00 0.00 178.83 178.32 1k2h h THR 39 N 0.00 1.28 0.00 -0.54 2.02 -1.43 -2.88 112.91 111.35 1k2h h THR 39 Ca -0.00 -2.26 0.00 0.00 0.77 0.00 0.00 66.41 64.92 1k2h h THR 39 Cb 0.06 2.40 0.00 0.00 -1.74 0.00 0.00 68.15 68.87 1k2h h THR 39 CO 0.00 0.70 0.00 1.21 0.37 0.00 0.00 175.52 177.80 1k2h n GLU 40 N -3.85 0.40 -2.32 6.66 2.13 -0.36 -3.21 120.64 120.09 1k2h n GLU 40 Ca -0.11 0.01 -0.30 0.00 0.66 0.00 0.00 57.16 57.41 1k2h n GLU 40 Cb 0.89 -1.50 0.01 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 -1.29 5.46 -0.29 4.31 4.77 0.28 -4.83 117.00 125.42 1k2h n LEU 41 Ca 0.14 -5.11 0.11 0.00 -0.03 0.00 0.00 56.01 51.12 1k2h n LEU 41 Cb 0.24 -0.62 0.35 0.00 -2.33 0.00 0.00 43.42 41.05 1k2h n LEU 41 CO 0.22 2.11 1.22 0.28 -1.33 0.00 0.00 177.39 179.90 1k2h h SER 42 N 2.68 0.72 0.00 -1.43 0.02 -1.56 0.68 113.55 114.65 1k2h h SER 42 Ca 0.37 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.37 1k2h h SER 42 Cb 0.70 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.14 1k2h h SER 42 CO 1.01 0.36 0.14 -1.28 -1.14 0.00 0.00 176.83 175.92 1k2h h SER 43 N 0.76 0.00 -1.00 3.07 0.87 -1.89 0.21 113.55 115.56 1k2h h SER 43 Ca 0.46 0.00 0.01 0.00 -1.23 0.00 0.00 61.79 61.03 1k2h h SER 43 Cb 0.67 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 62.58 1k2h h SER 43 CO -0.22 0.00 0.66 0.15 -0.53 0.00 0.00 176.83 176.89 1k2h h PHE 44 N 0.00 1.26 0.00 2.24 3.04 0.06 0.56 116.94 124.09 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 0.28 -0.43 0.00 0.00 2.56 0.00 0.00 35.95 38.36 1k2h h PHE 44 CO 0.00 0.80 0.00 1.28 -2.02 0.00 0.00 178.31 178.37 1k2h n LEU 45 N -4.38 0.57 -0.13 0.59 4.77 0.73 -2.74 117.00 116.41 1k2h n LEU 45 Ca 0.12 0.66 -0.08 0.00 -0.03 0.00 0.00 56.01 56.68 1k2h n LEU 45 Cb 0.01 -0.61 0.00 0.00 -2.33 0.00 0.00 43.42 40.50 1k2h n LEU 45 CO 0.37 -0.60 1.05 -0.78 -1.33 0.00 0.00 177.39 176.10 1k2h h ASP 46 N 0.00 0.48 -1.14 -1.43 1.82 0.11 -3.41 116.42 112.84 1k2h h ASP 46 Ca 0.00 -0.01 -0.04 0.00 -0.39 0.00 0.00 57.03 56.59 1k2h h ASP 46 Cb 0.28 -0.12 -0.22 0.00 0.68 0.00 0.00 39.33 39.95 1k2h h ASP 46 CO 0.00 0.34 -0.43 0.68 -1.61 0.00 0.00 179.24 178.22 1k2h s VAL 47 N -6.16 -0.92 -0.10 2.25 -7.23 -1.11 -4.87 120.40 102.26 1k2h s VAL 47 Ca -0.13 -0.08 -0.29 0.00 -1.81 0.00 0.00 61.98 59.66 1k2h s VAL 47 Cb 0.11 -0.76 -0.04 0.00 0.56 0.00 0.00 36.38 36.25 1k2h s VAL 47 CO 0.73 -0.06 1.51 -1.10 -0.31 0.00 0.00 175.10 175.86 1k2h s GLN 48 N 2.52 4.19 0.00 4.82 1.11 -1.25 -4.61 119.66 126.44 1k2h s GLN 48 Ca 0.12 1.98 0.00 0.00 0.01 0.00 0.00 55.36 57.47 1k2h s GLN 48 Cb -0.09 -3.91 0.00 0.00 -1.01 0.00 0.00 33.01 28.00 1k2h s GLN 48 CO -0.22 -0.81 0.00 1.63 0.01 0.00 0.00 175.29 175.91 1k2h n LYS 49 N 6.95 0.00 -3.37 2.91 4.76 1.60 -4.84 118.16 126.17 1k2h n LYS 49 Ca 0.16 0.00 -0.45 0.00 -2.87 0.00 0.00 58.31 55.15 1k2h n LYS 49 Cb 0.44 -0.22 -0.05 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 -1.02 6.13 0.46 4.39 1.01 -0.49 -4.89 116.67 122.26 1k2h s ASP 50 Ca 0.00 -1.91 0.30 0.00 0.71 0.00 0.00 52.55 51.64 1k2h s ASP 50 Cb 0.00 -2.16 1.07 0.00 1.01 0.00 0.00 42.92 42.83 1k2h s ASP 50 CO 0.00 -0.79 1.85 0.00 0.21 0.00 0.00 175.17 176.44 1k2h h ALA 51 N 8.67 1.00 -0.37 5.23 0.00 -1.88 -3.00 119.26 128.91 1k2h h ALA 51 Ca -0.24 0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.50 1k2h h ALA 51 Cb 1.09 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.87 1k2h h ALA 51 CO 0.97 0.00 -0.42 -0.44 0.00 0.00 0.00 179.25 179.37 1k2h h ASP 52 N 0.00 1.01 0.06 0.00 3.32 -1.97 -0.98 116.42 117.85 1k2h h ASP 52 Ca 0.00 -0.48 -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 -0.03 0.00 -1.72 0.00 0.00 179.24 178.77 1k2h h ALA 53 N 0.76 -0.08 -0.84 3.45 0.00 -1.90 -2.26 119.26 118.39 1k2h h ALA 53 Ca 0.05 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 54.85 1k2h h ALA 53 Cb 1.02 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.79 1k2h h ALA 53 CO 0.10 -0.43 0.55 -0.24 0.00 0.00 0.00 179.25 179.24 1k2h h VAL 54 N -0.32 1.19 -1.01 0.00 3.04 -1.57 -2.04 116.25 115.53 1k2h h VAL 54 Ca -0.01 -0.38 0.03 0.00 -1.01 0.00 0.00 66.70 65.34 1k2h h VAL 54 Cb 0.28 -0.01 -0.06 0.00 -2.01 0.00 0.00 31.29 29.49 1k2h h VAL 54 CO 0.01 0.20 0.66 -0.78 -1.01 0.00 0.00 177.57 176.66 1k2h h ASP 55 N 1.10 1.11 -0.60 3.17 1.82 -0.86 -1.98 116.42 120.18 1k2h h ASP 55 Ca 0.32 -0.01 -0.10 0.00 -0.39 0.00 0.00 57.03 56.84 1k2h h ASP 55 Cb -0.07 -0.26 -0.02 0.00 0.68 0.00 0.00 39.33 39.66 1k2h h ASP 55 CO -0.08 0.77 -0.02 0.11 -1.61 0.00 0.00 179.24 178.41 1k2h h LYS 56 N 1.29 1.08 -0.69 0.28 1.57 -0.79 -2.82 116.57 116.48 1k2h h LYS 56 Ca 0.40 -0.35 0.01 0.00 -1.87 0.00 0.00 60.65 58.83 1k2h h LYS 56 Cb -0.02 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.16 1k2h h LYS 56 CO -0.12 1.06 0.46 0.82 -0.57 0.00 0.00 179.45 181.10 1k2h h ILE 57 N 0.98 1.18 -0.05 1.86 5.03 -1.19 -0.28 117.51 125.03 1k2h h ILE 57 Ca 0.17 -0.33 0.02 0.00 -0.12 0.00 0.00 64.86 64.60 1k2h h ILE 57 Cb 0.59 0.16 -0.00 0.00 -3.03 0.00 0.00 36.82 34.53 1k2h h ILE 57 CO 0.04 0.17 0.07 0.24 -0.68 0.00 0.00 178.15 177.99 1k2h h MET 58 N 0.94 0.00 -0.58 2.37 2.86 -1.17 -1.76 114.93 117.58 1k2h h MET 58 Ca 0.25 0.00 -0.11 0.00 -2.06 0.00 0.00 59.70 57.79 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 -0.05 0.00 -0.05 0.87 1.06 0.00 0.00 176.91 178.73 1k2h h LYS 59 N 0.00 1.07 -0.54 1.72 1.57 -0.91 -1.98 116.57 117.49 1k2h h LYS 59 Ca 0.02 -0.37 -0.12 0.00 -1.87 0.00 0.00 60.65 58.32 1k2h h LYS 59 Cb 0.16 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.37 1k2h h LYS 59 CO -0.00 1.07 -0.12 0.93 -0.57 0.00 0.00 179.45 180.76 1k2h h GLU 60 N 0.96 1.03 -0.02 3.15 5.08 -1.33 -0.94 114.58 122.51 1k2h h GLU 60 Ca 0.16 -0.39 -0.19 0.00 -1.00 0.00 0.00 59.36 57.94 1k2h h GLU 60 Cb 0.62 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.80 1k2h h GLU 60 CO 0.04 1.08 -0.81 -0.07 -1.00 0.00 0.00 179.01 178.25 1k2h h LEU 61 N 0.91 0.29 -0.50 1.33 4.07 -1.56 -2.45 115.31 117.41 1k2h h LEU 61 Ca 0.14 -0.22 -0.15 0.00 0.08 0.00 0.00 57.88 57.73 1k2h h LEU 61 Cb 0.69 -0.09 -0.01 0.00 1.08 0.00 0.00 40.66 42.34 1k2h h LEU 61 CO 0.05 0.98 -0.43 0.44 -1.08 0.00 0.00 178.44 178.41 1k2h h ASP 62 N 0.14 0.81 -0.93 -0.43 3.32 -1.29 2.46 116.42 120.50 1k2h h ASP 62 Ca -0.04 -0.38 -0.01 0.00 0.02 0.00 0.00 57.03 56.62 1k2h h ASP 62 Cb 1.41 -0.23 -0.04 0.00 0.22 0.00 0.00 39.33 40.69 1k2h h ASP 62 CO 0.13 1.12 0.54 -0.33 -1.72 0.00 0.00 179.24 178.98 1k2h h GLU 63 N 0.61 1.28 -1.17 3.56 4.39 -1.09 -3.34 114.58 118.82 1k2h h GLU 63 Ca 0.04 -0.13 -0.39 0.00 0.34 0.00 0.00 59.36 59.22 1k2h h GLU 63 Cb 0.98 -0.26 -0.30 0.00 -0.10 0.00 0.00 28.75 29.08 1k2h h GLU 63 CO 0.09 0.91 -0.88 0.27 -1.16 0.00 0.00 179.01 178.25 1k2h n ASN 64 N -4.34 -0.58 -0.23 1.42 0.23 -0.93 -4.94 115.26 105.89 1k2h n ASN 64 Ca 0.10 -3.24 0.31 0.00 -0.53 0.00 0.00 54.58 51.22 1k2h n ASN 64 Cb 0.08 0.43 0.73 0.00 -2.08 0.00 0.00 39.78 38.94 1k2h n ASN 64 CO 0.00 0.00 0.00 1.23 -0.93 0.00 0.00 177.26 177.56 1k2h h GLY 65 N 3.16 0.00 0.79 4.83 0.00 0.41 1.85 103.07 114.11 1k2h h GLY 65 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.34 1k2h h GLY 65 CO 0.36 0.00 0.00 2.09 0.00 0.00 0.00 176.54 178.99 1k2h n ASP 66 N -4.23 0.00 -3.34 0.19 5.75 -1.26 -2.54 116.55 111.11 1k2h n ASP 66 Ca 0.21 -1.21 0.00 0.00 -0.01 0.00 0.00 54.79 53.78 1k2h n ASP 66 Cb 1.06 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 41.15 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 0.89 -1.31 3.44 6.12 0.00 0.63 -4.76 105.19 110.20 1k2h n GLY 67 Ca 0.19 -1.21 -0.12 0.00 0.00 0.00 0.00 46.02 44.88 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 1.29 0.13 1.61 2.12 -1.26 -3.19 118.70 119.39 1k2h s GLU 68 Ca 0.00 -0.49 0.06 0.00 0.36 0.00 0.00 54.97 54.90 1k2h s GLU 68 Cb 0.00 0.58 -0.04 0.00 0.26 0.00 0.00 34.13 34.94 1k2h s GLU 68 CO 0.00 -0.56 -0.14 0.14 -0.54 0.00 0.00 175.26 174.16 1k2h s VAL 69 N -3.74 1.35 0.00 3.70 -7.23 -0.81 -4.79 120.40 108.89 1k2h s VAL 69 Ca 0.02 -1.77 0.00 0.00 -1.81 0.00 0.00 61.98 58.42 1k2h s VAL 69 Cb -0.01 -1.59 0.00 0.00 0.56 0.00 0.00 36.38 35.34 1k2h s VAL 69 CO -0.12 -0.44 0.00 0.47 -0.31 0.00 0.00 175.10 174.70 1k2h n ASP 70 N 0.44 1.19 0.11 4.85 8.00 -1.26 -2.21 116.55 127.67 1k2h n ASP 70 Ca -0.15 0.00 -0.13 0.00 0.71 0.00 0.00 54.79 55.22 1k2h n ASP 70 Cb 0.57 0.00 -0.07 0.00 -0.02 0.00 0.00 41.12 41.60 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 -0.19 0.00 1.24 -0.00 -1.95 0.86 116.94 116.90 1k2h h PHE 71 Ca 0.00 -0.00 -0.08 0.00 -0.00 0.00 0.00 57.97 57.88 1k2h h PHE 71 Cb 0.00 0.06 -0.01 0.00 -0.00 0.00 0.00 35.95 36.00 1k2h h PHE 71 CO 0.00 -0.12 -0.40 0.37 -0.00 0.00 0.00 178.31 178.16 1k2h h GLN 72 N -0.20 0.00 0.11 6.09 -0.00 -1.98 -1.23 115.11 117.89 1k2h h GLN 72 Ca -0.02 0.00 -0.28 0.00 -0.00 0.00 0.00 58.65 58.35 1k2h h GLN 72 Cb 0.16 0.00 -0.00 0.00 0.00 0.00 0.00 27.48 27.63 1k2h h GLN 72 CO 0.03 0.40 -1.35 1.49 0.00 0.00 0.00 178.83 179.41 1k2h h GLU 73 N 0.00 0.23 -0.34 1.69 4.81 -1.85 -1.84 114.58 117.29 1k2h h GLU 73 Ca -0.00 -0.40 -0.16 0.00 -0.13 0.00 0.00 59.36 58.67 1k2h h GLU 73 Cb 0.83 0.15 -0.01 0.00 0.63 0.00 0.00 28.75 30.35 1k2h h GLU 73 CO 0.05 1.14 -0.41 0.35 -0.73 0.00 0.00 179.01 179.41 1k2h h PHE 74 N 0.06 1.01 -0.03 0.92 3.04 0.92 -1.78 116.94 121.08 1k2h h PHE 74 Ca -0.17 -0.31 -0.17 0.00 3.98 0.00 0.00 57.97 61.30 1k2h h PHE 74 Cb 1.97 -0.21 0.01 0.00 2.56 0.00 0.00 35.95 40.29 1k2h h PHE 74 CO 0.06 1.11 -0.64 0.28 -2.02 0.00 0.00 178.31 177.09 1k2h h VAL 75 N 0.68 1.39 -0.46 1.41 2.07 -1.29 -2.30 116.25 117.75 1k2h h VAL 75 Ca 0.05 -2.04 -0.14 0.00 0.82 0.00 0.00 66.70 65.39 1k2h h VAL 75 Cb 0.99 2.46 -0.01 0.00 -1.52 0.00 0.00 31.29 33.21 1k2h h VAL 75 CO 0.09 0.60 -0.26 0.58 0.02 0.00 0.00 177.57 178.61 1k2h h VAL 76 N 0.03 1.27 -0.40 2.57 2.07 -1.38 -2.43 116.25 117.98 1k2h h VAL 76 Ca -0.07 -1.43 -0.16 0.00 0.82 0.00 0.00 66.70 65.86 1k2h h VAL 76 Cb 1.33 1.18 -0.01 0.00 -1.52 0.00 0.00 31.29 32.28 1k2h h VAL 76 CO 0.13 0.49 -0.36 0.25 0.02 0.00 0.00 177.57 178.10 1k2h h LEU 77 N 0.84 1.01 -0.70 2.57 5.85 -1.41 -2.36 115.31 121.12 1k2h h LEU 77 Ca 0.10 -0.46 -0.02 0.00 0.84 0.00 0.00 57.88 58.35 1k2h h LEU 77 Cb 0.85 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.56 1k2h h LEU 77 CO 0.08 1.26 0.38 0.58 -0.34 0.00 0.00 178.44 180.39 1k2h h VAL 78 N 0.78 1.22 -0.35 1.05 2.07 -1.31 -0.78 116.25 118.92 1k2h h VAL 78 Ca 0.07 -0.56 -0.05 0.00 0.82 0.00 0.00 66.70 66.98 1k2h h VAL 78 Cb 0.96 0.31 -0.02 0.00 -1.52 0.00 0.00 31.29 31.02 1k2h h VAL 78 CO 0.09 0.24 -0.01 0.00 0.02 0.00 0.00 177.57 177.92 1k2h h ALA 79 N 1.19 1.33 -0.97 1.67 0.00 -1.37 -1.93 119.26 119.17 1k2h h ALA 79 Ca 0.24 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 54.95 1k2h h ALA 79 Cb 0.05 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.64 1k2h h ALA 79 CO -0.04 0.46 0.64 0.00 0.00 0.00 0.00 179.25 180.32 1k2h h ALA 80 N 1.47 1.23 -0.55 0.00 0.00 -0.62 -1.44 119.26 119.35 1k2h h ALA 80 Ca 0.11 -0.07 -0.12 0.00 0.00 0.00 0.00 54.91 54.84 1k2h h ALA 80 Cb 0.36 -0.39 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1k2h h ALA 80 CO 0.01 0.63 -0.11 -0.07 0.00 0.00 0.00 179.25 179.71 1k2h h LEU 81 N 1.32 1.05 -1.88 0.00 4.07 -0.57 -2.19 115.31 117.10 1k2h h LEU 81 Ca 0.36 -0.35 0.14 0.00 0.08 0.00 0.00 57.88 58.11 1k2h h LEU 81 Cb -0.15 -0.29 -0.03 0.00 1.08 0.00 0.00 40.66 41.27 1k2h h LEU 81 CO -0.08 1.15 0.40 0.74 -1.08 0.00 0.00 178.44 179.58 1k2h h THR 82 N 0.93 0.77 -0.86 0.22 2.02 -0.66 0.51 112.91 115.83 1k2h h THR 82 Ca 0.14 -0.04 0.01 0.00 0.77 0.00 0.00 66.41 67.29 1k2h h THR 82 Cb 0.68 0.64 -0.04 0.00 -1.74 0.00 0.00 68.15 67.69 1k2h h THR 82 CO 0.05 0.02 0.57 0.58 0.37 0.00 0.00 175.52 177.11 1k2h h VAL 83 N 0.12 1.22 0.00 3.16 2.07 -0.83 3.13 116.25 125.12 1k2h h VAL 83 Ca 0.27 -0.40 -0.01 0.00 0.82 0.00 0.00 66.70 67.38 1k2h h VAL 83 Cb 0.92 -0.04 -0.00 0.00 -1.52 0.00 0.00 31.29 30.64 1k2h h VAL 83 CO -0.03 0.21 -0.06 0.00 0.02 0.00 0.00 177.57 177.71 1k2h h ALA 84 N 1.31 1.00 -0.06 1.67 0.00 -0.04 -3.14 119.26 120.00 1k2h h ALA 84 Ca 0.31 -0.06 -0.12 0.00 0.00 0.00 0.00 54.91 55.05 1k2h h ALA 84 Cb -0.14 -0.01 -0.22 0.00 0.00 0.00 0.00 17.79 17.43 1k2h h ALA 84 CO -0.07 0.08 -0.79 0.00 0.00 0.00 0.00 179.25 178.47 1k2h n ASN 86 N -0.34 0.60 -4.60 0.00 2.85 1.03 -4.82 115.26 109.98 1k2h n ASN 86 Ca 0.14 -0.51 -0.44 0.00 -0.11 0.00 0.00 54.58 53.65 1k2h n ASN 86 Cb 0.92 -0.13 -0.01 0.00 1.24 0.00 0.00 39.78 41.80 1k2h n ASN 86 CO 0.00 0.00 0.00 -0.46 -2.11 0.00 0.00 177.26 174.69 1k2h n ASN 87 N 0.71 1.42 -0.07 1.20 6.94 -1.26 -4.90 115.26 119.30 1k2h n ASN 87 Ca 0.00 1.18 -0.08 0.00 -0.02 0.00 0.00 54.58 55.66 1k2h n ASN 87 Cb 0.11 -1.30 -0.09 0.00 -2.36 0.00 0.00 39.78 36.13 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 0.26 0.00 0.04 -2.53 -0.00 -1.26 -4.57 117.46 109.40 1k2h n PHE 88 Ca 0.09 0.00 0.07 0.00 -0.00 0.00 0.00 57.45 57.61 1k2h n PHE 88 Cb 0.32 -0.62 -0.08 0.00 -0.00 0.00 0.00 39.48 39.11 1k2h n PHE 88 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 176.76 177.95 1k2h n PHE 89 N -2.63 0.66 -3.76 -5.13 3.72 -1.26 -4.97 117.46 104.10 1k2h n PHE 89 Ca -0.23 0.20 -0.23 0.00 -0.05 0.00 0.00 57.45 57.15 1k2h n PHE 89 Cb 0.87 -0.88 -0.07 0.00 -0.94 0.00 0.00 39.48 38.46 1k2h n PHE 89 CO 0.00 0.00 0.00 -2.67 -0.05 0.00 0.00 176.76 174.04 1k2h n TRP 90 N -2.63 -0.88 -3.01 1.38 2.14 -1.26 -4.83 117.44 108.34 1k2h n TRP 90 Ca -0.06 0.43 -0.43 0.00 2.07 0.00 0.00 57.50 59.51 1k2h n TRP 90 Cb 0.67 -1.90 -0.05 0.00 -0.81 0.00 0.00 31.31 29.22 1k2h n TRP 90 CO 0.00 0.00 0.00 -1.21 2.07 0.00 0.00 177.69 178.55 1k2h s GLU 91 N -6.02 3.20 0.39 -2.67 0.41 -1.26 -5.03 118.70 107.72 1k2h s GLU 91 Ca 0.06 -0.67 -0.18 0.00 -0.41 0.00 0.00 54.97 53.76 1k2h s GLU 91 Cb -0.03 -4.10 -0.10 0.00 -1.78 0.00 0.00 34.13 28.12 1k2h s GLU 91 CO 0.70 -1.38 0.87 0.54 -0.49 0.00 0.00 175.26 175.51 1k2h s ASN 92 N 2.86 6.85 0.00 -0.19 4.22 -1.26 -5.06 114.94 122.37 1k2h s ASN 92 Ca 0.21 1.52 0.00 0.00 -2.14 0.00 0.00 52.86 52.45 1k2h s ASN 92 Cb -0.17 -2.47 0.00 0.00 1.28 0.00 0.00 41.25 39.89 1k2h s ASN 92 CO 0.14 -0.32 0.00 -0.24 -2.04 0.00 0.00 177.10 174.65