#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cyy s VAL 3 N 0.00 5.34 0.49 1.55 1.01 -1.26 -5.06 120.40 122.47 2cyy s VAL 3 Ca 0.00 0.29 -0.22 0.00 0.00 0.00 0.00 61.98 62.05 2cyy s VAL 3 Cb 0.00 -3.54 -0.08 0.00 0.00 0.00 0.00 36.38 32.75 2cyy s VAL 3 CO 0.00 0.35 0.97 -2.65 0.00 0.00 0.00 175.10 173.77 2cyy n PRO 4 N 4.14 1.17 -2.76 2.72 -0.02 -1.26 -4.98 135.00 134.01 2cyy n PRO 4 Ca -0.14 0.43 -0.32 0.00 -2.02 0.00 0.00 63.50 61.45 2cyy n PRO 4 Cb 0.52 -2.07 -0.05 0.00 -0.02 0.00 0.00 33.50 31.87 2cyy n PRO 4 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2cyy s LEU 5 N -0.98 3.85 0.78 2.45 1.43 -1.26 -5.06 118.68 119.89 2cyy s LEU 5 Ca 0.68 1.46 -0.12 0.00 -1.03 0.00 0.00 54.13 55.12 2cyy s LEU 5 Cb -0.50 -4.33 0.06 0.00 0.03 0.00 0.00 46.19 41.45 2cyy s LEU 5 CO 0.53 -0.41 1.14 1.51 0.23 0.00 0.00 176.35 179.35 2cyy s ASP 6 N -2.67 4.74 0.24 2.29 1.47 -1.26 -4.86 116.67 116.62 2cyy s ASP 6 Ca 0.57 0.98 -0.05 0.00 1.18 0.00 0.00 52.55 55.24 2cyy s ASP 6 Cb -0.10 -1.62 0.42 0.00 -0.34 0.00 0.00 42.92 41.29 2cyy s ASP 6 CO 0.23 -1.78 1.75 -0.33 0.68 0.00 0.00 175.17 175.73 2cyy h GLU 7 N -0.96 0.52 -0.16 2.11 5.08 -1.99 -2.44 114.58 116.74 2cyy h GLU 7 Ca -0.46 -0.03 0.04 0.00 -1.00 0.00 0.00 59.36 57.90 2cyy h GLU 7 Cb 1.30 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 30.39 2cyy h GLU 7 CO 0.64 0.34 -0.07 0.82 -1.00 0.00 0.00 179.01 179.75 2cyy h ILE 8 N 0.54 0.77 -0.79 3.13 2.04 -1.99 -0.11 117.51 121.10 2cyy h ILE 8 Ca 0.40 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 66.21 2cyy h ILE 8 Cb 0.53 0.77 -0.03 0.00 -0.74 0.00 0.00 36.82 37.35 2cyy h ILE 8 CO -0.34 0.00 0.30 0.44 0.00 0.00 0.00 178.15 178.54 2cyy h ASP 9 N -0.04 1.10 0.03 1.72 3.32 -1.84 -1.26 116.42 119.45 2cyy h ASP 9 Ca 0.09 -0.18 -0.07 0.00 0.02 0.00 0.00 57.03 56.89 2cyy h ASP 9 Cb 0.18 -0.29 -0.01 0.00 0.22 0.00 0.00 39.33 39.43 2cyy h ASP 9 CO -0.20 0.99 -0.19 0.11 -1.72 0.00 0.00 179.24 178.24 2cyy h LYS 10 N 1.15 0.30 -0.36 3.56 1.57 -1.14 0.96 116.57 122.61 2cyy h LYS 10 Ca 0.26 -0.09 -0.07 0.00 -1.87 0.00 0.00 60.65 58.88 2cyy h LYS 10 Cb 0.24 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.51 2cyy h LYS 10 CO -0.02 0.48 -0.05 -0.22 -0.57 0.00 0.00 179.45 179.07 2cyy h LYS 11 N 0.27 0.67 -0.20 3.15 3.11 -0.37 -1.12 116.57 122.09 2cyy h LYS 11 Ca 0.05 -0.24 -0.04 0.00 -2.81 0.00 0.00 60.65 57.61 2cyy h LYS 11 Cb 0.49 -0.05 -0.01 0.00 -1.00 0.00 0.00 32.23 31.67 2cyy h LYS 11 CO 0.03 0.81 -0.02 0.82 -2.81 0.00 0.00 179.45 178.28 2cyy h ILE 12 N 0.48 1.27 -0.82 2.00 2.04 -0.78 -2.88 117.51 118.81 2cyy h ILE 12 Ca 0.10 -0.96 0.06 0.00 1.00 0.00 0.00 64.86 65.06 2cyy h ILE 12 Cb 0.54 1.49 -0.06 0.00 -0.74 0.00 0.00 36.82 38.05 2cyy h ILE 12 CO 0.03 0.29 0.51 0.40 0.00 0.00 0.00 178.15 179.38 2cyy h ILE 13 N 0.12 1.04 -0.75 -0.67 2.04 -0.76 -0.64 117.51 117.89 2cyy h ILE 13 Ca 0.05 -0.32 0.05 0.00 1.00 0.00 0.00 64.86 65.64 2cyy h ILE 13 Cb 0.45 0.03 -0.05 0.00 -0.74 0.00 0.00 36.82 36.50 2cyy h ILE 13 CO 0.02 0.17 0.46 0.50 0.00 0.00 0.00 178.15 179.29 2cyy h LYS 14 N 0.94 0.84 -0.31 2.37 3.64 -1.11 -0.12 116.57 122.82 2cyy h LYS 14 Ca 0.36 -0.05 -0.13 0.00 -1.27 0.00 0.00 60.65 59.55 2cyy h LYS 14 Cb 0.15 -0.19 -0.00 0.00 -0.41 0.00 0.00 32.23 31.77 2cyy h LYS 14 CO -0.16 0.55 -0.32 0.82 -2.27 0.00 0.00 179.45 178.07 2cyy h ILE 15 N 0.86 1.29 0.00 2.00 2.04 -1.11 -2.91 117.51 119.69 2cyy h ILE 15 Ca 0.32 -1.50 -0.08 0.00 1.00 0.00 0.00 64.86 64.60 2cyy h ILE 15 Cb 0.11 1.55 -0.01 0.00 -0.74 0.00 0.00 36.82 37.73 2cyy h ILE 15 CO -0.15 0.48 -0.37 -0.07 0.00 0.00 0.00 178.15 178.04 2cyy h LEU 16 N 0.52 0.00 -0.35 1.44 3.38 -0.77 -1.10 115.31 118.42 2cyy h LEU 16 Ca 0.05 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.86 2cyy h LEU 16 Cb 0.90 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.65 2cyy h LEU 16 CO 0.08 0.37 -0.39 1.56 0.09 0.00 0.00 178.44 180.15 2cyy h GLN 17 N 0.00 0.89 -0.54 1.13 4.20 -1.00 -2.22 115.11 117.57 2cyy h GLN 17 Ca -0.00 -0.48 -0.11 0.00 0.06 0.00 0.00 58.65 58.12 2cyy h GLN 17 Cb 0.76 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.54 2cyy h GLN 17 CO 0.05 1.13 -0.09 -0.97 -0.67 0.00 0.00 178.83 178.27 2cyy h ASN 18 N 0.69 1.00 -1.76 1.46 -1.24 -1.29 -3.42 115.58 111.01 2cyy h ASN 18 Ca 0.05 -0.32 -0.17 0.00 0.71 0.00 0.00 56.30 56.57 2cyy h ASN 18 Cb 0.98 -0.27 -0.29 0.00 0.73 0.00 0.00 38.32 39.48 2cyy h ASN 18 CO 0.09 1.10 -0.51 -0.62 -1.29 0.00 0.00 177.43 176.20 2cyy s ASP 19 N -6.65 0.32 0.36 1.15 2.15 -0.44 -5.03 116.67 108.52 2cyy s ASP 19 Ca -0.11 -0.14 0.26 0.00 0.43 0.00 0.00 52.55 52.99 2cyy s ASP 19 Cb 0.13 1.13 1.25 0.00 -0.30 0.00 0.00 42.92 45.13 2cyy s ASP 19 CO 0.86 -0.33 1.78 1.23 -0.17 0.00 0.00 175.17 178.54 2cyy h GLY 20 N 8.17 0.00 -2.46 2.66 0.00 -1.64 -2.50 103.07 107.30 2cyy h GLY 20 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.20 2cyy h GLY 20 CO 0.27 0.00 0.00 0.28 0.00 0.00 0.00 176.54 177.09 2cyy n LYS 21 N -2.42 3.22 -1.67 4.80 5.02 -1.26 -5.01 118.16 120.86 2cyy n LYS 21 Ca -0.00 -2.65 -0.49 0.00 -2.02 0.00 0.00 58.31 53.15 2cyy n LYS 21 Cb 0.14 -1.67 -0.05 0.00 -0.02 0.00 0.00 35.03 33.43 2cyy n LYS 21 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2cyy n ALA 22 N 0.99 0.68 -1.76 7.82 0.00 -0.94 -4.89 120.51 122.41 2cyy n ALA 22 Ca 0.22 0.40 -0.39 0.00 0.00 0.00 0.00 53.44 53.67 2cyy n ALA 22 Cb 0.72 -2.34 0.02 0.00 0.00 0.00 0.00 19.45 17.85 2cyy n ALA 22 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 2cyy s PRO 23 N 2.14 3.50 0.56 0.00 0.02 -1.26 -4.84 135.00 135.12 2cyy s PRO 23 Ca 0.86 2.22 0.25 0.00 0.02 0.00 0.00 61.00 64.36 2cyy s PRO 23 Cb -0.77 -2.47 1.52 0.00 0.02 0.00 0.00 34.50 32.81 2cyy s PRO 23 CO 0.47 -0.90 2.09 -0.07 -0.33 0.00 0.00 177.00 178.26 2cyy h LEU 24 N 1.97 0.00 -0.42 -5.54 3.38 -1.98 -0.13 115.31 112.59 2cyy h LEU 24 Ca -0.50 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.30 2cyy h LEU 24 Cb 1.28 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.02 2cyy h LEU 24 CO 0.60 0.00 -0.47 0.08 0.09 0.00 0.00 178.44 178.74 2cyy h ARG 25 N 0.00 0.80 -0.23 1.13 0.11 -1.98 -1.09 114.38 113.13 2cyy h ARG 25 Ca 0.11 -0.46 -0.08 0.00 0.10 0.00 0.00 59.98 59.64 2cyy h ARG 25 Cb 0.51 0.04 -0.00 0.00 1.11 0.00 0.00 29.97 31.62 2cyy h ARG 25 CO -0.00 1.09 -0.18 0.93 0.10 0.00 0.00 179.97 181.91 2cyy h GLU 26 N 0.64 0.52 -0.06 0.08 4.39 -1.41 -2.59 114.58 116.14 2cyy h GLU 26 Ca 0.03 -0.26 -0.05 0.00 0.34 0.00 0.00 59.36 59.43 2cyy h GLU 26 Cb 1.05 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.69 2cyy h GLU 26 CO 0.10 0.83 -0.18 0.82 -1.16 0.00 0.00 179.01 179.42 2cyy h ILE 27 N 0.22 1.16 -0.07 3.13 2.04 -1.32 -2.99 117.51 119.68 2cyy h ILE 27 Ca 0.04 -0.76 -0.01 0.00 1.00 0.00 0.00 64.86 65.14 2cyy h ILE 27 Cb 0.72 1.33 -0.00 0.00 -0.74 0.00 0.00 36.82 38.12 2cyy h ILE 27 CO 0.05 0.22 0.02 -1.28 0.00 0.00 0.00 178.15 177.16 2cyy h SER 28 N 0.09 0.10 0.00 1.72 0.87 -0.94 -1.74 113.55 113.65 2cyy h SER 28 Ca 0.02 -0.21 0.00 0.00 -1.23 0.00 0.00 61.79 60.37 2cyy h SER 28 Cb 0.38 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.31 2cyy h SER 28 CO 0.03 0.28 0.00 2.29 -0.53 0.00 0.00 176.83 178.90 2cyy n LYS 29 N -4.92 0.62 0.16 2.24 2.85 -1.00 -1.88 118.16 116.22 2cyy n LYS 29 Ca -0.06 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.20 2cyy n LYS 29 Cb 0.13 -1.20 0.00 0.00 -0.65 0.00 0.00 35.03 33.32 2cyy n LYS 29 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 177.40 176.46 2cyy n ILE 30 N 0.67 0.00 0.29 0.58 2.08 -1.10 -4.83 119.36 117.05 2cyy n ILE 30 Ca 0.00 0.00 0.16 0.00 0.56 0.00 0.00 62.75 63.47 2cyy n ILE 30 Cb 0.30 -0.47 0.77 0.00 -0.75 0.00 0.00 39.64 39.49 2cyy n ILE 30 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2cyy h THR 31 N 0.00 0.00 -0.31 1.39 1.03 -1.32 -3.45 112.91 110.25 2cyy h THR 31 Ca 0.00 -0.18 -0.13 0.00 -0.01 0.00 0.00 66.41 66.08 2cyy h THR 31 Cb 0.00 0.99 -0.05 0.00 -1.07 0.00 0.00 68.15 68.02 2cyy h THR 31 CO 0.00 0.00 -0.12 0.61 -0.01 0.00 0.00 175.52 176.00 2cyy n GLY 32 N -0.61 0.79 3.76 2.99 0.00 -0.79 -4.98 105.19 106.35 2cyy n GLY 32 Ca -0.01 -0.20 -0.22 0.00 0.00 0.00 0.00 46.02 45.59 2cyy n GLY 32 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2cyy s LEU 33 N -1.48 3.48 0.33 0.99 1.43 -1.25 -5.08 118.68 117.09 2cyy s LEU 33 Ca 0.00 -0.53 -0.27 0.00 -1.03 0.00 0.00 54.13 52.30 2cyy s LEU 33 Cb 0.00 -2.01 -0.09 0.00 0.03 0.00 0.00 46.19 44.12 2cyy s LEU 33 CO 0.00 -0.16 1.11 0.00 0.23 0.00 0.00 176.35 177.53 2cyy s ALA 34 N -2.29 3.28 0.36 4.21 0.00 -1.26 -4.67 121.76 121.40 2cyy s ALA 34 Ca 0.35 0.88 0.16 0.00 0.00 0.00 0.00 51.96 53.35 2cyy s ALA 34 Cb -0.06 -3.33 1.06 0.00 0.00 0.00 0.00 23.12 20.79 2cyy s ALA 34 CO 0.23 -0.26 1.72 0.93 0.00 0.00 0.00 175.76 178.38 2cyy h GLU 35 N 3.24 0.40 -0.10 0.00 5.08 -1.96 1.07 114.58 122.31 2cyy h GLU 35 Ca -0.48 -0.02 -0.06 0.00 -1.00 0.00 0.00 59.36 57.80 2cyy h GLU 35 Cb 1.22 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.37 2cyy h GLU 35 CO 0.65 0.27 -0.21 0.66 -1.00 0.00 0.00 179.01 179.38 2cyy h SER 36 N 0.42 0.16 -0.02 1.42 4.64 -1.97 0.23 113.55 118.42 2cyy h SER 36 Ca 0.66 -0.04 -0.03 0.00 -0.47 0.00 0.00 61.79 61.91 2cyy h SER 36 Cb 1.55 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.60 2cyy h SER 36 CO -0.43 0.38 -0.11 0.74 -0.87 0.00 0.00 176.83 176.54 2cyy h THR 37 N 0.15 1.49 0.05 2.95 2.02 0.75 -2.34 112.91 117.98 2cyy h THR 37 Ca 0.03 -1.62 0.00 0.00 0.77 0.00 0.00 66.41 65.59 2cyy h THR 37 Cb 0.46 2.50 -0.00 0.00 -1.74 0.00 0.00 68.15 69.37 2cyy h THR 37 CO 0.03 0.44 -0.04 0.40 0.37 0.00 0.00 175.52 176.72 2cyy h ILE 38 N -0.49 0.90 -0.93 3.11 2.04 -0.86 0.13 117.51 121.42 2cyy h ILE 38 Ca -0.01 0.00 0.12 0.00 1.00 0.00 0.00 64.86 65.97 2cyy h ILE 38 Cb 0.77 0.90 -0.08 0.00 -0.74 0.00 0.00 36.82 37.67 2cyy h ILE 38 CO 0.02 0.00 0.56 -0.74 0.00 0.00 0.00 178.15 178.00 2cyy h HIS 39 N -0.10 1.02 -0.48 1.37 2.76 -0.62 0.14 115.15 119.24 2cyy h HIS 39 Ca 0.00 0.03 -0.12 0.00 -2.20 0.00 0.00 60.37 58.08 2cyy h HIS 39 Cb 0.10 -0.31 -0.01 0.00 1.55 0.00 0.00 27.41 28.73 2cyy h HIS 39 CO -0.09 0.39 -0.18 1.49 -1.30 0.00 0.00 177.93 178.23 2cyy h GLU 40 N 0.89 0.97 0.15 5.26 4.57 -0.99 -1.44 114.58 123.98 2cyy h GLU 40 Ca 0.47 -0.40 0.00 0.00 -1.18 0.00 0.00 59.36 58.25 2cyy h GLU 40 Cb 0.48 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 29.02 2cyy h GLU 40 CO -0.27 1.07 -0.16 0.00 -1.18 0.00 0.00 179.01 178.47 2cyy h ARG 41 N 0.82 -0.33 -0.96 1.92 2.47 0.71 -2.27 114.38 116.75 2cyy h ARG 41 Ca 0.11 0.02 0.02 0.00 -1.26 0.00 0.00 59.98 58.88 2cyy h ARG 41 Cb 0.76 0.07 -0.05 0.00 -1.65 0.00 0.00 29.97 29.10 2cyy h ARG 41 CO 0.06 -0.22 0.63 0.82 0.56 0.00 0.00 179.97 181.82 2cyy h ILE 42 N -0.34 1.21 -0.83 2.04 2.04 -0.73 -1.92 117.51 118.99 2cyy h ILE 42 Ca 0.01 -0.43 0.03 0.00 1.00 0.00 0.00 64.86 65.47 2cyy h ILE 42 Cb 0.32 -0.16 -0.05 0.00 -0.74 0.00 0.00 36.82 36.20 2cyy h ILE 42 CO -0.05 0.23 0.53 -0.09 0.00 0.00 0.00 178.15 178.78 2cyy h ARG 43 N 1.26 1.00 -0.05 2.37 2.43 -0.85 -1.45 114.38 119.09 2cyy h ARG 43 Ca 0.36 -0.06 -0.16 0.00 -0.81 0.00 0.00 59.98 59.31 2cyy h ARG 43 Cb -0.08 -0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 29.23 2cyy h ARG 43 CO -0.09 0.66 -0.69 0.87 -1.51 0.00 0.00 179.97 179.21 2cyy h LYS 44 N 1.03 0.23 -0.21 0.20 1.57 -0.92 -2.02 116.57 116.45 2cyy h LYS 44 Ca 0.33 -0.18 -0.10 0.00 -1.87 0.00 0.00 60.65 58.83 2cyy h LYS 44 Cb 0.02 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 2cyy h LYS 44 CO -0.12 0.83 -0.32 -0.07 -0.57 0.00 0.00 179.45 179.20 2cyy h LEU 45 N 0.16 0.43 -0.16 2.94 3.38 -0.83 -0.25 115.31 120.97 2cyy h LEU 45 Ca -0.02 -0.16 -0.23 0.00 0.09 0.00 0.00 57.88 57.56 2cyy h LEU 45 Cb 1.23 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.86 2cyy h LEU 45 CO 0.11 0.73 -0.94 0.03 0.09 0.00 0.00 178.44 178.45 2cyy h ARG 46 N 0.36 0.45 -0.26 1.13 3.08 -1.21 -1.19 114.38 116.74 2cyy h ARG 46 Ca 0.05 -0.48 -0.04 0.00 0.07 0.00 0.00 59.98 59.57 2cyy h ARG 46 Cb 0.74 0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.91 2cyy h ARG 46 CO 0.06 1.13 -0.01 1.49 -1.07 0.00 0.00 179.97 181.56 2cyy h GLU 47 N 0.26 0.47 0.00 0.04 4.81 -1.08 -3.01 114.58 116.06 2cyy h GLU 47 Ca -0.08 -0.16 -0.03 0.00 -0.13 0.00 0.00 59.36 58.96 2cyy h GLU 47 Cb 1.58 -0.04 -0.00 0.00 0.63 0.00 0.00 28.75 30.91 2cyy h GLU 47 CO 0.17 0.64 -0.15 0.66 -0.73 0.00 0.00 179.01 179.60 2cyy h SER 48 N 0.24 0.00 0.00 1.04 4.64 -1.12 -3.47 113.55 114.88 2cyy h SER 48 Ca 0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 2cyy h SER 48 Cb 0.44 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.53 2cyy h SER 48 CO 0.02 0.15 0.00 0.61 -0.87 0.00 0.00 176.83 176.74 2cyy n GLY 49 N 0.21 0.37 0.28 -0.77 0.00 -0.98 -4.95 105.19 99.35 2cyy n GLY 49 Ca 0.01 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.07 2cyy n GLY 49 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2cyy h VAL 50 N 0.00 0.71 -3.25 1.61 2.07 -1.53 -3.13 116.25 112.74 2cyy h VAL 50 Ca 0.00 -0.17 -0.72 0.00 0.82 0.00 0.00 66.70 66.63 2cyy h VAL 50 Cb 0.00 0.16 -0.21 0.00 -1.52 0.00 0.00 31.29 29.73 2cyy h VAL 50 CO 0.00 0.09 -0.15 -0.63 0.02 0.00 0.00 177.57 176.90 2cyy s ILE 51 N -6.02 5.07 0.25 4.57 1.01 -0.75 -4.93 121.20 120.40 2cyy s ILE 51 Ca -0.12 -0.86 -0.04 0.00 0.00 0.00 0.00 60.65 59.63 2cyy s ILE 51 Cb 0.20 -4.22 0.12 0.00 0.01 0.00 0.00 42.46 38.57 2cyy s ILE 51 CO 0.76 -0.71 1.76 0.11 0.00 0.00 0.00 174.94 176.86 2cyy h LYS 52 N 8.88 0.90 0.00 2.79 1.57 -1.86 -3.41 116.57 125.44 2cyy h LYS 52 Ca -0.28 -0.23 0.00 0.00 -1.87 0.00 0.00 60.65 58.27 2cyy h LYS 52 Cb 1.10 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.30 2cyy h LYS 52 CO 0.93 0.85 0.00 0.36 -0.57 0.00 0.00 179.45 181.03 2cyy n LYS 53 N -4.23 0.00 -4.38 3.15 2.85 -1.26 -5.06 118.16 109.22 2cyy n LYS 53 Ca 0.04 0.00 -0.31 0.00 -1.05 0.00 0.00 58.31 56.99 2cyy n LYS 53 Cb 0.28 0.00 -0.10 0.00 -0.65 0.00 0.00 35.03 34.55 2cyy n LYS 53 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 177.40 177.29 2cyy s PHE 54 N -2.00 2.78 0.10 5.58 0.08 -1.26 -5.13 117.98 118.13 2cyy s PHE 54 Ca 0.00 -0.12 -0.17 0.00 0.12 0.00 0.00 56.93 56.76 2cyy s PHE 54 Cb 0.00 -1.51 0.04 0.00 -0.57 0.00 0.00 43.02 40.98 2cyy s PHE 54 CO 0.00 0.38 0.42 -0.08 -0.10 0.00 0.00 175.22 175.83 2cyy s THR 55 N -1.09 0.06 -0.27 0.64 -1.32 -1.26 -5.13 115.64 107.28 2cyy s THR 55 Ca 0.19 -0.51 -0.11 0.00 -1.21 0.00 0.00 61.69 60.05 2cyy s THR 55 Cb -0.11 -1.09 -0.05 0.00 -1.51 0.00 0.00 72.50 69.74 2cyy s THR 55 CO 0.10 -0.28 0.18 0.00 -2.21 0.00 0.00 174.62 172.41 2cyy s ALA 56 N -3.32 3.56 -0.24 11.08 0.00 -1.26 -4.96 121.76 126.61 2cyy s ALA 56 Ca -0.00 -1.02 -0.27 0.00 0.00 0.00 0.00 51.96 50.67 2cyy s ALA 56 Cb 0.01 -2.43 0.00 0.00 0.00 0.00 0.00 23.12 20.71 2cyy s ALA 56 CO -0.09 -0.43 0.93 0.42 0.00 0.00 0.00 175.76 176.60 2cyy s ILE 57 N 1.52 4.76 -0.04 0.00 -1.09 -1.26 -5.03 121.20 120.05 2cyy s ILE 57 Ca 0.07 1.78 -0.05 0.00 -2.23 0.00 0.00 60.65 60.22 2cyy s ILE 57 Cb -0.15 -4.21 -0.04 0.00 -1.58 0.00 0.00 42.46 36.47 2cyy s ILE 57 CO 0.09 -0.13 0.20 -0.63 -1.23 0.00 0.00 174.94 173.23 2cyy s ILE 58 N 3.03 5.42 -0.26 2.92 -1.09 -1.26 -5.05 121.20 124.91 2cyy s ILE 58 Ca 0.39 0.06 -0.29 0.00 -2.23 0.00 0.00 60.65 58.58 2cyy s ILE 58 Cb -0.15 -3.51 -0.01 0.00 -1.58 0.00 0.00 42.46 37.21 2cyy s ILE 58 CO 0.07 0.43 1.39 -0.62 -1.23 0.00 0.00 174.94 174.98 2cyy s ASP 59 N -1.57 6.62 0.37 3.58 -1.08 -1.26 -4.89 116.67 118.44 2cyy s ASP 59 Ca 0.23 1.40 0.11 0.00 -0.52 0.00 0.00 52.55 53.78 2cyy s ASP 59 Cb -0.13 -2.54 0.89 0.00 -1.46 0.00 0.00 42.92 39.69 2cyy s ASP 59 CO 0.13 -1.09 1.86 -0.65 0.52 0.00 0.00 175.17 175.94 2cyy h PRO 60 N 9.57 0.59 -0.65 4.34 0.11 -1.97 -1.29 132.00 142.70 2cyy h PRO 60 Ca -0.29 -0.04 0.07 0.00 0.11 0.00 0.00 66.00 65.86 2cyy h PRO 60 Cb 1.12 -0.13 -0.04 0.00 0.11 0.00 0.00 31.00 32.05 2cyy h PRO 60 CO 1.02 0.39 0.43 0.93 -0.21 0.00 0.00 178.00 180.56 2cyy h GLU 61 N 0.61 0.58 0.00 1.05 4.39 -1.91 -0.63 114.58 118.67 2cyy h GLU 61 Ca 0.46 -0.04 -0.02 0.00 0.34 0.00 0.00 59.36 60.11 2cyy h GLU 61 Cb 0.86 -0.13 -0.00 0.00 -0.10 0.00 0.00 28.75 29.38 2cyy h GLU 61 CO -0.21 0.39 -0.08 0.00 -1.16 0.00 0.00 179.01 177.95 2cyy h ALA 62 N 1.66 1.25 -0.30 3.43 0.00 -1.61 -2.01 119.26 121.68 2cyy h ALA 62 Ca 0.29 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.13 2cyy h ALA 62 Cb 0.34 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.12 2cyy h ALA 62 CO -0.09 0.10 0.00 1.28 0.00 0.00 0.00 179.25 180.54 2cyy n LEU 63 N -3.54 2.93 0.00 0.00 4.77 -0.62 -4.96 117.00 115.58 2cyy n LEU 63 Ca -0.02 -1.56 0.00 0.00 -0.03 0.00 0.00 56.01 54.40 2cyy n LEU 63 Cb 0.20 -0.19 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 2cyy n LEU 63 CO 0.28 0.66 0.00 0.61 -1.33 0.00 0.00 177.39 177.61 2cyy n GLY 64 N 0.97 0.73 3.18 -0.72 0.00 -0.76 -4.96 105.19 103.63 2cyy n GLY 64 Ca 0.14 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.73 2cyy n GLY 64 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2cyy n TYR 65 N -2.43 4.04 -1.55 1.61 4.01 -0.34 -4.27 117.16 118.23 2cyy n TYR 65 Ca 0.00 -3.02 -0.29 0.00 -0.16 0.00 0.00 57.90 54.43 2cyy n TYR 65 Cb 0.00 -2.26 -0.06 0.00 -0.31 0.00 0.00 39.34 36.71 2cyy n TYR 65 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 2cyy n SER 66 N 5.69 6.88 0.00 7.72 3.41 -1.19 -4.12 113.62 132.02 2cyy n SER 66 Ca 0.43 -3.05 0.00 0.00 -0.26 0.00 0.00 58.87 55.99 2cyy n SER 66 Cb 0.41 -1.31 0.00 0.00 -0.26 0.00 0.00 64.21 63.04 2cyy n SER 66 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 2cyy n LEU 68 N 1.50 0.00 -3.67 1.04 7.94 -1.26 -5.02 117.00 117.53 2cyy n LEU 68 Ca 0.54 0.00 -0.10 0.00 -1.11 0.00 0.00 56.01 55.33 2cyy n LEU 68 Cb 0.50 0.00 -0.05 0.00 0.53 0.00 0.00 43.42 44.40 2cyy n LEU 68 CO 0.43 0.00 0.15 0.00 -1.11 0.00 0.00 177.39 176.86 2cyy s ALA 69 N -0.12 -0.85 -0.07 1.96 0.00 -0.47 -0.82 121.76 121.38 2cyy s ALA 69 Ca 0.00 -0.14 0.01 0.00 0.00 0.00 0.00 51.96 51.84 2cyy s ALA 69 Cb 0.00 0.71 -0.03 0.00 0.00 0.00 0.00 23.12 23.80 2cyy s ALA 69 CO 0.00 -0.66 -0.09 -0.06 0.00 0.00 0.00 175.76 174.96 2cyy s PHE 70 N -3.82 2.88 -0.15 0.00 0.08 -1.26 -1.04 117.98 114.67 2cyy s PHE 70 Ca 0.04 -0.03 0.00 0.00 0.12 0.00 0.00 56.93 57.07 2cyy s PHE 70 Cb 0.02 -1.70 0.02 0.00 -0.57 0.00 0.00 43.02 40.79 2cyy s PHE 70 CO -0.10 0.29 -0.15 0.42 -0.10 0.00 0.00 175.22 175.57 2cyy s ILE 71 N -0.76 1.67 -0.07 0.64 1.01 0.11 -4.50 121.20 119.32 2cyy s ILE 71 Ca 0.12 -0.69 -0.17 0.00 0.00 0.00 0.00 60.65 59.90 2cyy s ILE 71 Cb -0.11 -1.55 -0.05 0.00 0.01 0.00 0.00 42.46 40.76 2cyy s ILE 71 CO 0.01 0.48 0.45 -0.76 0.00 0.00 0.00 174.94 175.11 2cyy s LEU 72 N 1.44 4.36 -0.07 2.97 1.43 0.30 -1.12 118.68 127.99 2cyy s LEU 72 Ca 0.05 0.88 0.04 0.00 -1.03 0.00 0.00 54.13 54.07 2cyy s LEU 72 Cb -0.13 -2.65 -0.00 0.00 0.03 0.00 0.00 46.19 43.44 2cyy s LEU 72 CO -0.11 0.14 -0.21 -0.69 0.23 0.00 0.00 176.35 175.71 2cyy s VAL 73 N -0.11 1.75 -0.21 -1.59 1.01 -1.26 -1.25 120.40 118.75 2cyy s VAL 73 Ca 0.25 -0.87 -0.12 0.00 0.00 0.00 0.00 61.98 61.23 2cyy s VAL 73 Cb -0.16 -1.51 -0.05 0.00 0.00 0.00 0.00 36.38 34.67 2cyy s VAL 73 CO 0.11 0.49 0.23 -0.75 0.00 0.00 0.00 175.10 175.19 2cyy s LYS 74 N 0.16 4.16 -0.01 2.72 2.47 -0.18 -1.15 119.74 127.91 2cyy s LYS 74 Ca -0.10 -0.08 0.06 0.00 -1.56 0.00 0.00 55.97 54.30 2cyy s LYS 74 Cb -0.15 -3.49 -0.02 0.00 -1.46 0.00 0.00 37.83 32.72 2cyy s LYS 74 CO 0.05 0.13 -0.20 0.08 0.16 0.00 0.00 175.35 175.57 2cyy s VAL 75 N 0.83 1.55 0.32 4.02 1.01 -1.26 -0.58 120.40 126.29 2cyy s VAL 75 Ca 0.12 -0.88 -0.29 0.00 0.00 0.00 0.00 61.98 60.94 2cyy s VAL 75 Cb -0.13 -1.29 -0.10 0.00 0.00 0.00 0.00 36.38 34.85 2cyy s VAL 75 CO 0.04 0.40 1.35 -0.75 0.00 0.00 0.00 175.10 176.13 2cyy s LYS 76 N -0.55 4.32 0.24 2.72 2.20 0.46 -4.91 119.74 124.21 2cyy s LYS 76 Ca 0.07 2.27 -0.31 0.00 -0.36 0.00 0.00 55.97 57.64 2cyy s LYS 76 Cb -0.08 -3.07 -0.13 0.00 -1.51 0.00 0.00 37.83 33.05 2cyy s LYS 76 CO -0.00 -0.26 1.45 0.00 -0.36 0.00 0.00 175.35 176.18 2cyy n ALA 77 N 1.00 1.33 -0.37 3.13 0.00 -1.26 -1.79 120.51 122.55 2cyy n ALA 77 Ca 0.01 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.86 2cyy n ALA 77 Cb 0.41 -2.31 0.00 0.00 0.00 0.00 0.00 19.45 17.56 2cyy n ALA 77 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2cyy n GLY 78 N 2.30 0.86 0.34 0.00 0.00 -1.26 -4.88 105.19 102.55 2cyy n GLY 78 Ca 0.12 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.18 2cyy n GLY 78 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2cyy n LYS 79 N -2.00 0.53 -0.15 1.61 4.76 -0.74 -4.72 118.16 117.46 2cyy n LYS 79 Ca 0.00 -1.12 -0.03 0.00 -2.87 0.00 0.00 58.31 54.29 2cyy n LYS 79 Cb 0.00 -1.16 0.05 0.00 -1.84 0.00 0.00 35.03 32.08 2cyy n LYS 79 CO 0.00 0.00 0.00 1.88 -1.37 0.00 0.00 177.40 177.91 2cyy h TYR 80 N 1.56 -0.09 -0.08 2.13 -1.99 -1.90 -1.33 116.97 115.26 2cyy h TYR 80 Ca 0.00 0.04 0.03 0.00 2.00 0.00 0.00 58.73 60.80 2cyy h TYR 80 Cb 0.38 0.11 -0.03 0.00 2.00 0.00 0.00 36.73 39.20 2cyy h TYR 80 CO 0.02 -0.14 -0.11 0.77 -0.00 0.00 0.00 178.16 178.71 2cyy h SER 81 N 0.08 -0.34 -0.53 3.88 0.02 -1.97 0.72 113.55 115.41 2cyy h SER 81 Ca 0.23 0.06 -0.11 0.00 -0.84 0.00 0.00 61.79 61.14 2cyy h SER 81 Cb 0.35 0.16 -0.02 0.00 0.14 0.00 0.00 62.40 63.04 2cyy h SER 81 CO -0.42 -0.15 -0.11 -0.33 -1.14 0.00 0.00 176.83 174.68 2cyy h GLU 82 N -0.15 1.01 -0.05 3.45 4.39 -1.84 -1.26 114.58 120.11 2cyy h GLU 82 Ca 0.07 -0.38 -0.01 0.00 0.34 0.00 0.00 59.36 59.39 2cyy h GLU 82 Cb 0.25 -0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 28.84 2cyy h GLU 82 CO -0.17 1.06 0.01 0.28 -1.16 0.00 0.00 179.01 179.03 2cyy h VAL 83 N 0.88 1.19 -0.59 3.13 2.07 -1.09 -1.12 116.25 120.72 2cyy h VAL 83 Ca 0.14 -0.59 0.06 0.00 0.82 0.00 0.00 66.70 67.13 2cyy h VAL 83 Cb 0.67 1.49 -0.05 0.00 -1.52 0.00 0.00 31.29 31.88 2cyy h VAL 83 CO 0.05 0.16 0.29 0.00 0.02 0.00 0.00 177.57 178.09 2cyy h ALA 84 N 0.79 0.77 -0.76 1.67 0.00 -0.81 -0.58 119.26 120.35 2cyy h ALA 84 Ca 0.02 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 2cyy h ALA 84 Cb 0.25 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.94 2cyy h ALA 84 CO 0.00 -0.06 0.39 1.03 0.00 0.00 0.00 179.25 180.60 2cyy h SER 85 N 0.55 0.97 -0.24 0.00 0.87 -1.10 -0.33 113.55 114.28 2cyy h SER 85 Ca 0.27 -0.12 -0.01 0.00 -1.23 0.00 0.00 61.79 60.70 2cyy h SER 85 Cb 0.21 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 61.91 2cyy h SER 85 CO -0.20 0.82 0.12 -1.13 -0.53 0.00 0.00 176.83 175.90 2cyy h ASN 86 N 1.06 0.32 -0.24 6.23 -0.00 -0.43 -3.13 115.58 119.38 2cyy h ASN 86 Ca 0.26 -0.12 -0.02 0.00 -0.00 0.00 0.00 56.30 56.42 2cyy h ASN 86 Cb 0.08 -0.08 -0.01 0.00 -0.00 0.00 0.00 38.32 38.31 2cyy h ASN 86 CO -0.04 0.35 0.08 -0.07 -0.00 0.00 0.00 177.43 177.76 2cyy h LEU 87 N 0.26 0.35 -2.70 0.34 3.38 -0.87 -3.17 115.31 112.88 2cyy h LEU 87 Ca 0.08 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.87 2cyy h LEU 87 Cb 0.12 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 2cyy h LEU 87 CO -0.01 0.44 0.07 0.00 0.09 0.00 0.00 178.44 179.03 2cyy h ALA 88 N 0.92 1.20 0.00 1.53 0.00 -1.01 -2.84 119.26 119.06 2cyy h ALA 88 Ca 0.08 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2cyy h ALA 88 Cb 0.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.00 2cyy h ALA 88 CO -0.00 -0.07 0.00 1.57 0.00 0.00 0.00 179.25 180.74 2cyy h LYS 89 N 0.00 0.00 -5.86 0.00 2.10 -1.52 -3.44 116.57 107.86 2cyy h LYS 89 Ca 0.01 0.00 -0.57 0.00 -2.00 0.00 0.00 60.65 58.08 2cyy h LYS 89 Cb 0.14 0.00 -0.07 0.00 -0.90 0.00 0.00 32.23 31.40 2cyy h LYS 89 CO -0.00 0.00 0.09 0.71 -2.00 0.00 0.00 179.45 178.25 2cyy s TYR 90 N -3.38 3.49 0.41 0.07 2.02 -1.07 -4.96 117.35 113.94 2cyy s TYR 90 Ca 0.05 1.09 0.28 0.00 -0.37 0.00 0.00 57.07 58.11 2cyy s TYR 90 Cb 0.09 -2.78 1.48 0.00 -0.40 0.00 0.00 41.96 40.36 2cyy s TYR 90 CO 0.49 -0.01 2.08 -1.00 -1.57 0.00 0.00 175.55 175.54 2cyy h PRO 91 N 7.03 0.00 0.00 -1.71 0.13 -1.90 -2.07 132.00 133.48 2cyy h PRO 91 Ca -0.37 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.69 2cyy h PRO 91 Cb 1.17 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 2cyy h PRO 91 CO 0.77 0.11 -0.32 0.93 -0.23 0.00 0.00 178.00 179.25 2cyy h GLU 92 N 0.00 0.00 -5.38 0.86 3.07 -1.93 -3.38 114.58 107.82 2cyy h GLU 92 Ca -0.00 0.00 -0.65 0.00 -0.50 0.00 0.00 59.36 58.21 2cyy h GLU 92 Cb 0.32 0.00 -0.15 0.00 -0.84 0.00 0.00 28.75 28.08 2cyy h GLU 92 CO 0.01 0.32 0.34 0.42 -1.40 0.00 0.00 179.01 178.70 2cyy s ILE 93 N -3.96 4.59 -0.44 3.13 1.01 -0.78 -1.14 121.20 123.62 2cyy s ILE 93 Ca -0.02 -0.20 0.23 0.00 0.00 0.00 0.00 60.65 60.67 2cyy s ILE 93 Cb 0.13 -4.47 -0.06 0.00 0.01 0.00 0.00 42.46 38.07 2cyy s ILE 93 CO 0.68 -1.05 1.05 1.33 0.00 0.00 0.00 174.94 176.95 2cyy n VAL 94 N 5.89 0.35 -3.79 2.92 0.24 -0.63 -4.81 118.33 118.49 2cyy n VAL 94 Ca -0.03 -0.38 -0.13 0.00 -2.04 0.00 0.00 64.34 61.76 2cyy n VAL 94 Cb 0.46 -0.07 -0.14 0.00 -1.47 0.00 0.00 33.84 32.62 2cyy n VAL 94 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 2cyy s GLU 95 N -3.28 0.11 -0.10 7.34 2.02 -1.14 -4.98 118.70 118.68 2cyy s GLU 95 Ca 0.02 0.26 -0.03 0.00 0.02 0.00 0.00 54.97 55.24 2cyy s GLU 95 Cb 0.12 -0.06 0.04 0.00 0.10 0.00 0.00 34.13 34.34 2cyy s GLU 95 CO 0.79 -0.09 0.05 0.08 0.02 0.00 0.00 175.26 176.11 2cyy s VAL 96 N 0.61 0.11 0.02 2.63 1.01 -1.26 -1.41 120.40 122.11 2cyy s VAL 96 Ca -0.05 0.07 0.07 0.00 0.00 0.00 0.00 61.98 62.08 2cyy s VAL 96 Cb -0.06 -0.47 -0.02 0.00 0.00 0.00 0.00 36.38 35.83 2cyy s VAL 96 CO -0.03 0.04 -0.20 -0.31 0.00 0.00 0.00 175.10 174.60 2cyy s TYR 97 N 2.07 1.78 -0.25 5.22 2.02 -0.28 -4.99 117.35 122.91 2cyy s TYR 97 Ca 0.03 -0.36 -0.11 0.00 -0.37 0.00 0.00 57.07 56.27 2cyy s TYR 97 Cb -0.14 -1.10 -0.05 0.00 -0.40 0.00 0.00 41.96 40.28 2cyy s TYR 97 CO -0.06 0.04 0.18 -2.00 -1.57 0.00 0.00 175.55 172.15 2cyy s GLU 98 N -0.88 4.04 0.31 -0.62 2.12 -1.26 -1.07 118.70 121.33 2cyy s GLU 98 Ca 0.07 -0.26 0.03 0.00 0.36 0.00 0.00 54.97 55.17 2cyy s GLU 98 Cb -0.08 -3.58 -0.05 0.00 0.26 0.00 0.00 34.13 30.68 2cyy s GLU 98 CO 0.01 -0.02 0.09 0.95 -0.54 0.00 0.00 175.26 175.75 2cyy s THR 99 N 1.29 0.78 0.73 -1.70 -4.23 -0.25 -4.99 115.64 107.28 2cyy s THR 99 Ca 0.08 -2.00 -0.02 0.00 -1.18 0.00 0.00 61.69 58.57 2cyy s THR 99 Cb -0.14 -2.66 0.15 0.00 1.34 0.00 0.00 72.50 71.19 2cyy s THR 99 CO 0.07 0.00 1.01 0.35 -0.54 0.00 0.00 174.62 175.50 2cyy n THR 100 N -0.61 0.00 0.00 3.99 -2.24 -1.26 -4.58 114.28 109.58 2cyy n THR 100 Ca -0.01 -1.45 0.00 0.00 -2.27 0.00 0.00 64.05 60.32 2cyy n THR 100 Cb 0.66 -0.99 0.00 0.00 -2.10 0.00 0.00 70.33 67.90 2cyy n THR 100 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2cyy n GLY 101 N -2.53 -1.62 0.22 3.38 0.00 -1.26 -4.58 105.19 98.79 2cyy n GLY 101 Ca 0.16 -2.08 0.15 0.00 0.00 0.00 0.00 46.02 44.26 2cyy n GLY 101 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2cyy h ASP 102 N 0.00 0.00 -3.29 1.61 3.32 -2.01 -3.43 116.42 112.62 2cyy h ASP 102 Ca 0.00 0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.52 2cyy h ASP 102 Cb 0.00 0.00 -0.17 0.00 0.22 0.00 0.00 39.33 39.38 2cyy h ASP 102 CO 0.00 0.00 -0.78 -0.31 -1.72 0.00 0.00 179.24 176.43 2cyy s TYR 103 N -3.55 1.91 -2.04 4.55 2.02 -1.26 -4.95 117.35 114.02 2cyy s TYR 103 Ca 0.02 -0.46 0.14 0.00 -0.37 0.00 0.00 57.07 56.40 2cyy s TYR 103 Cb 0.09 -0.92 0.40 0.00 -0.40 0.00 0.00 41.96 41.13 2cyy s TYR 103 CO 0.46 0.40 1.33 -0.25 -1.57 0.00 0.00 175.55 175.91 2cyy n ASP 104 N 0.07 2.12 -3.64 2.29 8.00 -0.30 -4.54 116.55 120.54 2cyy n ASP 104 Ca -0.11 -1.97 -0.05 0.00 0.71 0.00 0.00 54.79 53.37 2cyy n ASP 104 Cb 0.58 -0.25 -0.06 0.00 -0.02 0.00 0.00 41.12 41.37 2cyy n ASP 104 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2cyy s VAL 106 N -1.50 -0.32 -0.06 2.53 1.01 -0.23 -1.09 120.40 120.73 2cyy s VAL 106 Ca 0.28 0.00 0.06 0.00 0.00 0.00 0.00 61.98 62.32 2cyy s VAL 106 Cb 0.15 -1.00 -0.01 0.00 0.00 0.00 0.00 36.38 35.52 2cyy s VAL 106 CO 0.20 0.00 -0.25 -0.69 0.00 0.00 0.00 175.10 174.36 2cyy s VAL 107 N 2.05 2.06 -0.19 2.92 1.01 -0.27 -1.13 120.40 126.85 2cyy s VAL 107 Ca -0.09 -1.06 -0.04 0.00 0.00 0.00 0.00 61.98 60.79 2cyy s VAL 107 Cb -0.07 -1.75 -0.02 0.00 0.00 0.00 0.00 36.38 34.54 2cyy s VAL 107 CO -0.20 0.57 -0.02 -0.75 0.00 0.00 0.00 175.10 174.70 2cyy s LYS 108 N -0.11 3.60 0.02 2.72 2.20 -0.50 -0.71 119.74 126.97 2cyy s LYS 108 Ca -0.05 -0.54 0.04 0.00 -0.36 0.00 0.00 55.97 55.06 2cyy s LYS 108 Cb -0.14 -3.01 -0.02 0.00 -1.51 0.00 0.00 37.83 33.15 2cyy s LYS 108 CO 0.04 0.06 -0.12 -1.50 -0.36 0.00 0.00 175.35 173.47 2cyy s ILE 109 N 0.86 0.95 -0.08 5.43 2.07 -0.21 -1.61 121.20 128.61 2cyy s ILE 109 Ca 0.00 -0.81 0.04 0.00 -1.41 0.00 0.00 60.65 58.47 2cyy s ILE 109 Cb -0.14 -0.86 0.00 0.00 0.13 0.00 0.00 42.46 41.59 2cyy s ILE 109 CO 0.02 0.05 -0.21 -0.13 -1.91 0.00 0.00 174.94 172.75 2cyy s ARG 110 N -0.87 2.57 0.23 3.50 0.52 -0.29 -1.37 118.95 123.24 2cyy s ARG 110 Ca 0.01 -0.77 0.03 0.00 -0.52 0.00 0.00 55.73 54.48 2cyy s ARG 110 Cb -0.07 -2.03 -0.05 0.00 0.52 0.00 0.00 34.95 33.32 2cyy s ARG 110 CO 0.01 0.20 0.01 0.95 0.02 0.00 0.00 175.30 176.48 2cyy s THR 111 N 0.27 0.91 -0.19 0.02 -4.23 -1.26 -4.67 115.64 106.49 2cyy s THR 111 Ca -0.14 -2.02 0.23 0.00 -1.18 0.00 0.00 61.69 58.58 2cyy s THR 111 Cb -0.16 -2.35 0.26 0.00 1.34 0.00 0.00 72.50 71.59 2cyy s THR 111 CO 0.06 -0.30 1.66 0.11 -0.54 0.00 0.00 174.62 175.60 2cyy h LYS 112 N 2.49 0.00 -2.62 3.99 1.57 -1.93 -3.14 116.57 116.93 2cyy h LYS 112 Ca -0.38 0.00 0.12 0.00 -1.87 0.00 0.00 60.65 58.52 2cyy h LYS 112 Cb 1.22 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.50 2cyy h LYS 112 CO 0.64 0.17 0.50 0.54 -0.57 0.00 0.00 179.45 180.73 2cyy s ASN 113 N -6.20 -0.02 0.22 0.86 2.20 -1.26 -4.32 114.94 106.43 2cyy s ASN 113 Ca 0.04 -0.75 -0.08 0.00 -0.94 0.00 0.00 52.86 51.14 2cyy s ASN 113 Cb 0.07 0.58 0.19 0.00 -2.00 0.00 0.00 41.25 40.09 2cyy s ASN 113 CO 0.67 -1.14 1.85 0.28 -2.94 0.00 0.00 177.10 175.82 2cyy h SER 114 N 2.00 1.07 -0.29 3.54 0.02 -1.99 -2.70 113.55 115.20 2cyy h SER 114 Ca -0.28 -0.09 -0.08 0.00 -0.84 0.00 0.00 61.79 60.50 2cyy h SER 114 Cb 1.23 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 63.48 2cyy h SER 114 CO 0.36 0.86 -0.08 -0.08 -1.14 0.00 0.00 176.83 176.74 2cyy h GLU 115 N 1.20 0.69 -0.52 3.45 4.81 -1.99 -0.78 114.58 121.43 2cyy h GLU 115 Ca 0.31 -0.21 -0.07 0.00 -0.13 0.00 0.00 59.36 59.26 2cyy h GLU 115 Cb 0.01 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.30 2cyy h GLU 115 CO -0.05 0.76 0.04 1.49 -0.73 0.00 0.00 179.01 180.52 2cyy h GLU 116 N 0.63 0.86 -0.52 1.92 4.81 -1.93 -0.16 114.58 120.19 2cyy h GLU 116 Ca 0.12 -0.22 -0.03 0.00 -0.13 0.00 0.00 59.36 59.09 2cyy h GLU 116 Cb 0.52 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.77 2cyy h GLU 116 CO 0.03 0.83 0.22 1.25 -0.73 0.00 0.00 179.01 180.61 2cyy h LEU 117 N 0.81 0.71 -1.17 1.64 5.85 -1.10 -1.76 115.31 120.29 2cyy h LEU 117 Ca 0.16 -0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2cyy h LEU 117 Cb 0.43 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 41.23 2cyy h LEU 117 CO 0.02 0.68 0.51 -1.13 -0.34 0.00 0.00 178.44 178.17 2cyy h ASN 118 N 0.70 0.94 -0.71 1.25 -0.73 -0.50 -0.65 115.58 115.88 2cyy h ASN 118 Ca 0.18 -0.04 -0.03 0.00 1.87 0.00 0.00 56.30 58.27 2cyy h ASN 118 Cb 0.18 -0.24 -0.03 0.00 0.27 0.00 0.00 38.32 38.50 2cyy h ASN 118 CO -0.02 0.70 0.32 0.78 -0.37 0.00 0.00 177.43 178.84 2cyy h ASN 119 N 1.09 0.96 0.14 1.15 2.35 -0.44 -0.82 115.58 120.01 2cyy h ASN 119 Ca 0.29 -0.12 -0.15 0.00 -0.55 0.00 0.00 56.30 55.77 2cyy h ASN 119 Cb -0.09 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.03 2cyy h ASN 119 CO -0.06 0.83 -0.54 -0.26 -1.65 0.00 0.00 177.43 175.76 2cyy h PHE 120 N 1.04 0.54 -0.72 1.19 0.04 -0.45 -1.18 116.94 117.41 2cyy h PHE 120 Ca 0.25 -0.19 -0.06 0.00 2.80 0.00 0.00 57.97 60.77 2cyy h PHE 120 Cb 0.15 -0.10 -0.03 0.00 2.20 0.00 0.00 35.95 38.16 2cyy h PHE 120 CO 0.01 0.88 0.20 -0.07 -0.60 0.00 0.00 178.31 178.73 2cyy h LEU 121 N 0.34 1.07 -0.20 1.54 3.38 -0.54 0.20 115.31 121.11 2cyy h LEU 121 Ca 0.01 -0.22 -0.02 0.00 0.09 0.00 0.00 57.88 57.74 2cyy h LEU 121 Cb 1.05 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.51 2cyy h LEU 121 CO 0.09 1.01 0.05 0.44 0.09 0.00 0.00 178.44 180.13 2cyy h ASP 122 N 1.09 0.30 0.06 -0.43 3.32 -0.96 -1.00 116.42 118.80 2cyy h ASP 122 Ca 0.23 -0.23 0.01 0.00 0.02 0.00 0.00 57.03 57.06 2cyy h ASP 122 Cb 0.34 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.80 2cyy h ASP 122 CO -0.00 0.45 -0.10 0.25 -1.72 0.00 0.00 179.24 178.12 2cyy h LEU 123 N 0.13 -0.27 -0.56 1.55 6.46 -0.91 -2.24 115.31 119.47 2cyy h LEU 123 Ca 0.06 0.03 -0.01 0.00 -0.12 0.00 0.00 57.88 57.85 2cyy h LEU 123 Cb 0.27 0.10 -0.03 0.00 -0.73 0.00 0.00 40.66 40.28 2cyy h LEU 123 CO 0.00 -0.15 0.32 0.40 -0.62 0.00 0.00 178.44 178.39 2cyy h ILE 124 N -0.20 1.18 0.00 4.05 2.04 -0.56 -1.87 117.51 122.15 2cyy h ILE 124 Ca 0.02 -0.43 0.00 0.00 1.00 0.00 0.00 64.86 65.44 2cyy h ILE 124 Cb 0.21 0.45 0.00 0.00 -0.74 0.00 0.00 36.82 36.74 2cyy h ILE 124 CO -0.05 0.19 0.00 1.23 0.00 0.00 0.00 178.15 179.51 2cyy h GLY 125 N 0.75 0.00 -0.51 5.37 0.00 -1.05 -2.20 103.07 105.43 2cyy h GLY 125 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.53 2cyy h GLY 125 CO -0.03 0.00 -0.30 1.44 0.00 0.00 0.00 176.54 177.64 2cyy n SER 126 N -2.94 1.64 -4.72 0.19 7.64 -0.74 -4.85 113.62 109.85 2cyy n SER 126 Ca -0.01 -1.29 -0.42 0.00 1.01 0.00 0.00 58.87 58.16 2cyy n SER 126 Cb 0.20 0.25 -0.03 0.00 -1.01 0.00 0.00 64.21 63.62 2cyy n SER 126 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2cyy s ILE 127 N -2.40 3.30 0.09 0.44 1.01 -0.83 -4.93 121.20 117.88 2cyy s ILE 127 Ca 0.24 0.93 -0.32 0.00 0.00 0.00 0.00 60.65 61.50 2cyy s ILE 127 Cb 0.19 -3.60 -0.12 0.00 0.01 0.00 0.00 42.46 38.95 2cyy s ILE 127 CO 0.51 0.07 1.80 -2.65 0.00 0.00 0.00 174.94 174.67 2cyy n PRO 128 N 3.92 2.55 0.00 2.79 -0.02 -1.26 -1.39 135.00 141.58 2cyy n PRO 128 Ca 0.11 0.93 0.00 0.00 -2.02 0.00 0.00 63.50 62.52 2cyy n PRO 128 Cb 0.42 -2.79 0.00 0.00 -0.02 0.00 0.00 33.50 31.11 2cyy n PRO 128 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2cyy n GLY 129 N 4.11 2.54 3.67 -1.23 0.00 -1.26 -4.74 105.19 108.28 2cyy n GLY 129 Ca 0.19 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.78 2cyy n GLY 129 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2cyy s VAL 130 N -2.38 4.73 -0.63 1.61 1.01 -0.49 -0.40 120.40 123.86 2cyy s VAL 130 Ca 0.00 2.00 0.22 0.00 0.00 0.00 0.00 61.98 64.20 2cyy s VAL 130 Cb 0.00 -4.30 -0.22 0.00 0.00 0.00 0.00 36.38 31.87 2cyy s VAL 130 CO 0.00 -0.10 0.84 -0.62 0.00 0.00 0.00 175.10 175.23 2cyy n GLU 131 N 5.76 0.26 0.00 2.72 1.02 0.26 -4.87 120.64 125.79 2cyy n GLU 131 Ca 0.10 -0.05 0.00 0.00 -0.02 0.00 0.00 57.16 57.19 2cyy n GLU 131 Cb 0.47 -1.53 0.00 0.00 -0.02 0.00 0.00 31.44 30.36 2cyy n GLU 131 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2cyy n GLY 132 N 1.40 1.58 3.15 0.62 0.00 -1.22 -4.97 105.19 105.75 2cyy n GLY 132 Ca 0.01 -0.80 -0.10 0.00 0.00 0.00 0.00 46.02 45.13 2cyy n GLY 132 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2cyy s THR 133 N -2.00 0.21 -0.04 2.61 -4.23 -1.26 -1.02 115.64 109.91 2cyy s THR 133 Ca 0.00 -1.91 -0.01 0.00 -1.18 0.00 0.00 61.69 58.59 2cyy s THR 133 Cb 0.00 -1.97 0.03 0.00 1.34 0.00 0.00 72.50 71.90 2cyy s THR 133 CO 0.00 -0.55 0.07 -2.28 -0.54 0.00 0.00 174.62 171.32 2cyy s HIS 134 N -3.97 0.00 0.26 3.99 5.04 -0.38 -4.96 115.29 115.28 2cyy s HIS 134 Ca 0.21 0.26 0.04 0.00 -1.54 0.00 0.00 55.06 54.04 2cyy s HIS 134 Cb 0.07 -0.32 0.04 0.00 0.04 0.00 0.00 32.58 32.42 2cyy s HIS 134 CO 0.00 -0.15 0.36 2.41 -2.34 0.00 0.00 174.74 175.02 2cyy n THR 135 N 4.73 0.00 -3.64 0.89 -1.04 -1.26 -0.54 114.28 113.42 2cyy n THR 135 Ca -0.16 -0.83 -0.08 0.00 -2.04 0.00 0.00 64.05 60.94 2cyy n THR 135 Cb 0.50 -0.83 -0.07 0.00 -1.82 0.00 0.00 70.33 68.11 2cyy n THR 135 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 2cyy s ILE 137 N -0.65 0.00 -0.22 12.58 1.01 -1.26 -5.01 121.20 127.65 2cyy s ILE 137 Ca 0.27 0.00 -0.29 0.00 0.00 0.00 0.00 60.65 60.63 2cyy s ILE 137 Cb -0.02 -1.00 0.00 0.00 0.01 0.00 0.00 42.46 41.45 2cyy s ILE 137 CO 0.17 0.00 1.15 -0.69 0.00 0.00 0.00 174.94 175.58 2cyy s VAL 138 N 1.25 4.46 -0.10 2.92 1.01 -0.00 -4.88 120.40 125.06 2cyy s VAL 138 Ca -0.07 1.75 0.12 0.00 0.00 0.00 0.00 61.98 63.78 2cyy s VAL 138 Cb -0.05 -4.18 -0.24 0.00 0.00 0.00 0.00 36.38 31.91 2cyy s VAL 138 CO -0.14 -0.22 0.43 0.18 0.00 0.00 0.00 175.10 175.35 2cyy n LEU 139 N 6.59 0.92 -3.70 3.92 4.77 -1.26 -4.69 117.00 123.56 2cyy n LEU 139 Ca 0.13 0.26 -0.12 0.00 -0.03 0.00 0.00 56.01 56.24 2cyy n LEU 139 Cb 0.46 0.07 -0.09 0.00 -2.33 0.00 0.00 43.42 41.53 2cyy n LEU 139 CO 0.55 0.49 0.17 -0.75 -1.33 0.00 0.00 177.39 176.52 2cyy s LYS 140 N -2.56 0.56 -0.30 3.23 2.20 -1.26 -5.13 119.74 116.47 2cyy s LYS 140 Ca -0.09 0.75 -0.10 0.00 -0.36 0.00 0.00 55.97 56.16 2cyy s LYS 140 Cb 0.07 0.22 -0.02 0.00 -1.51 0.00 0.00 37.83 36.59 2cyy s LYS 140 CO 0.81 -0.09 0.17 0.99 -0.36 0.00 0.00 175.35 176.87 2cyy s THR 141 N 0.57 4.84 -0.06 3.43 2.01 -1.26 -4.94 115.64 120.23 2cyy s THR 141 Ca -0.02 -0.23 0.13 0.00 0.31 0.00 0.00 61.69 61.88 2cyy s THR 141 Cb -0.04 -3.41 -0.23 0.00 0.01 0.00 0.00 72.50 68.82 2cyy s THR 141 CO -0.03 0.12 0.61 1.41 -0.69 0.00 0.00 174.62 176.04 2cyy n HIS 142 N 5.02 0.90 -3.67 4.92 -0.00 -1.26 -4.94 115.22 116.18 2cyy n HIS 142 Ca -0.14 0.32 -0.13 0.00 -0.00 0.00 0.00 57.72 57.78 2cyy n HIS 142 Cb 0.50 -1.16 -0.08 0.00 -0.00 0.00 0.00 29.99 29.25 2cyy n HIS 142 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 176.34 176.55 2cyy s LYS 143 N -2.60 0.70 -0.30 -0.41 2.20 -1.26 -5.13 119.74 112.94 2cyy s LYS 143 Ca -0.05 0.88 0.01 0.00 -0.36 0.00 0.00 55.97 56.45 2cyy s LYS 143 Cb 0.08 0.31 0.19 0.00 -1.51 0.00 0.00 37.83 36.90 2cyy s LYS 143 CO 0.83 -0.09 0.60 -2.00 -0.36 0.00 0.00 175.35 174.32 2cyy s GLU 144 N 0.49 0.57 0.04 4.03 2.12 -1.26 -5.16 118.70 119.53 2cyy s GLU 144 Ca -0.01 0.87 -0.05 0.00 0.36 0.00 0.00 54.97 56.14 2cyy s GLU 144 Cb -0.05 0.47 -0.02 0.00 0.26 0.00 0.00 34.13 34.80 2cyy s GLU 144 CO -0.02 -0.75 0.07 -0.08 -0.54 0.00 0.00 175.26 173.95 2cyy s THR 145 N 2.85 0.15 -1.11 -1.70 -1.32 -1.26 -5.02 115.64 108.22 2cyy s THR 145 Ca 0.18 -1.21 0.19 0.00 -1.21 0.00 0.00 61.69 59.64 2cyy s THR 145 Cb -0.14 -0.99 -0.16 0.00 -1.51 0.00 0.00 72.50 69.71 2cyy s THR 145 CO -0.22 -0.67 0.85 0.35 -2.21 0.00 0.00 174.62 172.72 2cyy n THR 146 N 0.65 0.00 -2.28 5.08 -2.24 -1.26 -4.97 114.28 109.25 2cyy n THR 146 Ca -0.18 -0.11 -0.42 0.00 -2.27 0.00 0.00 64.05 61.07 2cyy n THR 146 Cb 0.59 1.05 -0.03 0.00 -2.10 0.00 0.00 70.33 69.84 2cyy n THR 146 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2cyy s GLU 147 N -2.66 4.39 0.23 -0.78 2.02 -1.26 -5.03 118.70 115.60 2cyy s GLU 147 Ca 0.09 1.95 -0.03 0.00 0.02 0.00 0.00 54.97 57.00 2cyy s GLU 147 Cb 0.15 -3.27 -0.05 0.00 0.10 0.00 0.00 34.13 31.06 2cyy s GLU 147 CO 0.71 -0.31 0.47 -0.51 0.02 0.00 0.00 175.26 175.64 2cyy s LEU 148 N 0.72 4.16 0.25 1.80 1.43 -1.26 -5.05 118.68 120.74 2cyy s LEU 148 Ca 0.60 0.58 -0.30 0.00 -1.03 0.00 0.00 54.13 53.98 2cyy s LEU 148 Cb -0.34 -3.37 -0.10 0.00 0.03 0.00 0.00 46.19 42.41 2cyy s LEU 148 CO 0.32 -0.10 1.49 -2.84 0.23 0.00 0.00 176.35 175.45 2cyy s PRO 149 N -3.32 4.23 -0.32 1.29 0.02 -1.26 -4.98 135.00 130.66 2cyy s PRO 149 Ca 0.41 2.38 0.04 0.00 0.02 0.00 0.00 61.00 63.85 2cyy s PRO 149 Cb -0.11 -3.09 0.09 0.00 0.02 0.00 0.00 34.50 31.41 2cyy s PRO 149 CO 0.29 -0.49 0.01 0.42 -0.33 0.00 0.00 177.00 176.89 2cyy s ILE 150 N 0.07 2.21 0.00 2.83 -1.09 -1.26 -5.14 121.20 118.81 2cyy s ILE 150 Ca 0.61 -2.11 0.00 0.00 -2.23 0.00 0.00 60.65 56.92 2cyy s ILE 150 Cb -0.43 -2.54 0.00 0.00 -1.58 0.00 0.00 42.46 37.91 2cyy s ILE 150 CO 0.44 -0.44 0.00 2.29 -1.23 0.00 0.00 174.94 176.00