#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cfx s LYS 2 N 0.00 3.31 0.41 2.12 0.00 -1.26 -5.07 119.74 119.26 2cfx s LYS 2 Ca 0.00 -0.33 -0.24 0.00 0.00 0.00 0.00 55.97 55.41 2cfx s LYS 2 Cb 0.00 -3.99 -0.09 0.00 0.00 0.00 0.00 37.83 33.76 2cfx s LYS 2 CO 0.00 -1.17 1.08 -0.51 0.00 0.00 0.00 175.35 174.75 2cfx s LEU 3 N 3.19 4.11 0.00 2.77 1.02 -1.26 -5.08 118.68 123.43 2cfx s LEU 3 Ca 0.26 2.10 0.00 0.00 0.02 0.00 0.00 54.13 56.51 2cfx s LEU 3 Cb -0.14 -4.19 0.00 0.00 0.02 0.00 0.00 46.19 41.88 2cfx s LEU 3 CO 0.19 -0.59 0.01 -0.90 0.02 0.00 0.00 176.35 175.09 2cfx n ASP 4 N -0.15 2.45 -0.36 2.29 5.68 -1.26 -5.04 116.55 120.16 2cfx n ASP 4 Ca 0.05 -1.83 0.05 0.00 -0.50 0.00 0.00 54.79 52.57 2cfx n ASP 4 Cb 0.49 0.12 0.22 0.00 -1.14 0.00 0.00 41.12 40.81 2cfx n ASP 4 CO 0.00 0.00 0.00 -0.61 -1.33 0.00 0.00 177.20 175.26 2cfx h GLN 5 N 0.00 1.04 -0.59 0.11 5.75 -2.01 -3.03 115.11 116.38 2cfx h GLN 5 Ca -0.16 -0.06 -0.04 0.00 -0.15 0.00 0.00 58.65 58.24 2cfx h GLN 5 Cb 0.48 -0.23 -0.03 0.00 1.07 0.00 0.00 27.48 28.77 2cfx h GLN 5 CO 0.26 0.69 0.22 0.82 -2.65 0.00 0.00 178.83 178.16 2cfx h ILE 6 N 1.07 1.22 -0.39 2.39 2.04 -1.99 -1.72 117.51 120.12 2cfx h ILE 6 Ca 0.47 -0.71 0.02 0.00 1.00 0.00 0.00 64.86 65.64 2cfx h ILE 6 Cb 0.35 0.53 -0.03 0.00 -0.74 0.00 0.00 36.82 36.93 2cfx h ILE 6 CO -0.22 0.28 0.21 0.44 0.00 0.00 0.00 178.15 178.86 2cfx h ASP 7 N 0.86 0.33 -0.64 1.72 3.32 -1.94 -0.27 116.42 119.81 2cfx h ASP 7 Ca 0.20 0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.23 2cfx h ASP 7 Cb 0.20 -0.06 -0.03 0.00 0.22 0.00 0.00 39.33 39.67 2cfx h ASP 7 CO -0.01 0.24 0.29 -0.07 -1.72 0.00 0.00 179.24 177.96 2cfx h LEU 8 N 0.43 0.87 -0.43 1.55 3.38 -1.33 -0.63 115.31 119.15 2cfx h LEU 8 Ca 0.16 -0.11 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 2cfx h LEU 8 Cb 0.04 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 2cfx h LEU 8 CO -0.09 0.76 0.16 0.78 0.09 0.00 0.00 178.44 180.13 2cfx h ASN 9 N 0.95 0.61 -0.27 -0.43 2.35 -0.96 0.23 115.58 118.06 2cfx h ASN 9 Ca 0.23 -0.18 0.05 0.00 -0.55 0.00 0.00 56.30 55.84 2cfx h ASN 9 Cb 0.15 -0.16 -0.05 0.00 0.05 0.00 0.00 38.32 38.31 2cfx h ASN 9 CO -0.02 0.63 -0.04 0.40 -1.65 0.00 0.00 177.43 176.75 2cfx h ILE 10 N 0.56 0.76 -0.30 2.81 2.04 -0.38 -1.21 117.51 121.80 2cfx h ILE 10 Ca 0.14 -0.01 -0.02 0.00 1.00 0.00 0.00 64.86 65.97 2cfx h ILE 10 Cb 0.22 0.73 -0.01 0.00 -0.74 0.00 0.00 36.82 37.02 2cfx h ILE 10 CO -0.01 0.01 0.12 0.40 0.00 0.00 0.00 178.15 178.67 2cfx h ILE 11 N 0.04 1.18 -0.09 -0.67 2.04 -0.98 0.24 117.51 119.26 2cfx h ILE 11 Ca 0.13 -0.54 -0.05 0.00 1.00 0.00 0.00 64.86 65.39 2cfx h ILE 11 Cb 0.19 0.98 -0.01 0.00 -0.74 0.00 0.00 36.82 37.24 2cfx h ILE 11 CO -0.25 0.19 -0.19 1.05 0.00 0.00 0.00 178.15 178.94 2cfx h GLU 12 N 0.33 0.15 -0.09 2.37 4.11 -0.41 0.62 114.58 121.66 2cfx h GLU 12 Ca 0.10 -0.04 -0.02 0.00 0.07 0.00 0.00 59.36 59.47 2cfx h GLU 12 Cb 0.18 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.41 2cfx h GLU 12 CO -0.01 0.35 -0.04 0.93 0.07 0.00 0.00 179.01 180.31 2cfx h GLU 13 N 0.14 0.19 -0.01 1.06 4.39 -0.56 -1.55 114.58 118.24 2cfx h GLU 13 Ca 0.03 -0.08 -0.07 0.00 0.34 0.00 0.00 59.36 59.58 2cfx h GLU 13 Cb 0.43 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.06 2cfx h GLU 13 CO 0.03 0.53 -0.32 -0.07 -1.16 0.00 0.00 179.01 178.02 2cfx h LEU 14 N -0.17 0.02 0.07 1.33 3.38 -0.31 -1.50 115.31 118.13 2cfx h LEU 14 Ca 0.02 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 2cfx h LEU 14 Cb 0.47 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.22 2cfx h LEU 14 CO 0.01 0.34 -0.03 0.11 0.09 0.00 0.00 178.44 178.96 2cfx h LYS 15 N 0.02 -0.09 -0.24 1.13 1.57 -0.78 -2.63 116.57 115.55 2cfx h LYS 15 Ca -0.00 0.01 0.04 0.00 -1.87 0.00 0.00 60.65 58.83 2cfx h LYS 15 Cb 0.58 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.89 2cfx h LYS 15 CO 0.04 0.02 0.17 0.87 -0.57 0.00 0.00 179.45 179.98 2cfx h LYS 16 N -0.17 0.15 -1.25 3.15 1.57 -1.05 -3.42 116.57 115.54 2cfx h LYS 16 Ca -0.01 -0.01 0.15 0.00 -1.87 0.00 0.00 60.65 58.91 2cfx h LYS 16 Cb 0.15 -0.03 -0.25 0.00 0.08 0.00 0.00 32.23 32.17 2cfx h LYS 16 CO 0.02 0.10 0.27 0.34 -0.57 0.00 0.00 179.45 179.61 2cfx s ASP 17 N -6.75 -0.57 0.00 0.86 2.15 -0.58 -5.04 116.67 106.74 2cfx s ASP 17 Ca -0.06 0.83 0.14 0.00 0.43 0.00 0.00 52.55 53.89 2cfx s ASP 17 Cb 0.18 1.51 0.20 0.00 -0.30 0.00 0.00 42.92 44.51 2cfx s ASP 17 CO 0.70 -0.12 1.07 -1.54 -0.17 0.00 0.00 175.17 175.11 2cfx n SER 18 N 4.50 2.51 0.20 -0.34 3.41 -1.01 -4.03 113.62 118.85 2cfx n SER 18 Ca -0.13 -1.72 0.10 0.00 -0.26 0.00 0.00 58.87 56.86 2cfx n SER 18 Cb 0.54 -0.10 0.19 0.00 -0.26 0.00 0.00 64.21 64.59 2cfx n SER 18 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 2cfx h ARG 19 N 2.73 0.00 -6.20 4.33 3.08 -1.95 -3.49 114.38 112.87 2cfx h ARG 19 Ca 0.00 0.00 -0.69 0.00 0.07 0.00 0.00 59.98 59.36 2cfx h ARG 19 Cb 0.66 0.00 0.07 0.00 0.08 0.00 0.00 29.97 30.78 2cfx h ARG 19 CO 0.00 0.14 0.14 1.28 -1.07 0.00 0.00 179.97 180.46 2cfx n LEU 20 N -3.15 0.81 -4.76 3.04 4.77 -1.26 -5.00 117.00 111.46 2cfx n LEU 20 Ca 0.03 1.14 -0.31 0.00 -0.03 0.00 0.00 56.01 56.84 2cfx n LEU 20 Cb 0.56 -1.11 0.10 0.00 -2.33 0.00 0.00 43.42 40.64 2cfx n LEU 20 CO 0.35 -1.63 0.70 -0.94 -1.33 0.00 0.00 177.39 174.53 2cfx s SER 21 N -0.07 4.39 0.33 -1.43 1.04 -1.26 -4.85 113.70 111.84 2cfx s SER 21 Ca 0.78 1.77 0.01 0.00 0.48 0.00 0.00 55.95 58.98 2cfx s SER 21 Cb -0.97 -2.47 0.56 0.00 0.10 0.00 0.00 66.02 63.24 2cfx s SER 21 CO 0.53 -2.10 1.99 0.24 0.98 0.00 0.00 173.24 174.88 2cfx h MET 22 N -1.18 0.94 -0.35 4.02 0.00 -1.97 -0.03 114.93 116.36 2cfx h MET 22 Ca -0.44 -0.06 -0.04 0.00 0.00 0.00 0.00 59.70 59.16 2cfx h MET 22 Cb 1.24 -0.21 -0.01 0.00 0.00 0.00 0.00 31.60 32.61 2cfx h MET 22 CO 0.52 0.62 0.07 0.07 0.00 0.00 0.00 176.91 178.19 2cfx h ARG 23 N 0.96 0.57 0.00 1.72 0.11 -1.93 0.41 114.38 116.23 2cfx h ARG 23 Ca 0.27 -0.15 -0.08 0.00 0.10 0.00 0.00 59.98 60.12 2cfx h ARG 23 Cb -0.09 -0.07 -0.01 0.00 1.11 0.00 0.00 29.97 30.91 2cfx h ARG 23 CO -0.06 0.64 -0.37 1.05 0.10 0.00 0.00 179.97 181.33 2cfx h GLU 24 N 0.41 0.00 -0.03 0.08 4.11 -1.84 -2.31 114.58 115.00 2cfx h GLU 24 Ca 0.11 0.00 -0.08 0.00 0.07 0.00 0.00 59.36 59.46 2cfx h GLU 24 Cb 0.34 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.59 2cfx h GLU 24 CO 0.00 0.37 -0.29 1.25 0.07 0.00 0.00 179.01 180.42 2cfx h LEU 25 N 0.00 0.30 -1.46 3.06 5.85 -0.86 -2.67 115.31 119.52 2cfx h LEU 25 Ca -0.00 -0.71 0.06 0.00 0.84 0.00 0.00 57.88 58.07 2cfx h LEU 25 Cb 0.73 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.63 2cfx h LEU 25 CO 0.05 0.97 0.43 1.23 -0.34 0.00 0.00 178.44 180.78 2cfx h GLY 26 N -0.34 0.83 1.59 3.75 0.00 -0.14 -0.20 103.07 108.55 2cfx h GLY 26 Ca -0.03 -0.26 -0.09 0.00 0.00 0.00 0.00 47.33 46.95 2cfx h GLY 26 CO 0.06 0.20 -0.22 -0.09 0.00 0.00 0.00 176.54 176.48 2cfx h ARG 27 N 0.65 0.48 -0.04 4.80 2.43 -1.42 0.49 114.38 121.77 2cfx h ARG 27 Ca 0.28 -0.17 -0.13 0.00 -0.81 0.00 0.00 59.98 59.15 2cfx h ARG 27 Cb 0.28 -0.03 0.01 0.00 -0.42 0.00 0.00 29.97 29.81 2cfx h ARG 27 CO -0.09 0.68 -0.48 0.87 -1.51 0.00 0.00 179.97 179.44 2cfx h LYS 28 N 0.43 0.39 -0.00 0.20 1.57 -0.80 -3.36 116.57 115.01 2cfx h LYS 28 Ca 0.07 -0.37 0.00 0.00 -1.87 0.00 0.00 60.65 58.47 2cfx h LYS 28 Cb 0.63 0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.03 2cfx h LYS 28 CO 0.04 1.03 -0.73 0.44 -0.57 0.00 0.00 179.45 179.66 2cfx n ILE 29 N -4.30 0.00 -1.70 1.86 -5.35 -0.23 -5.00 119.36 104.64 2cfx n ILE 29 Ca -0.09 -0.03 -0.01 0.00 -0.27 0.00 0.00 62.75 62.35 2cfx n ILE 29 Cb 0.60 0.71 0.01 0.00 -1.74 0.00 0.00 39.64 39.22 2cfx n ILE 29 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 2cfx n LYS 30 N -1.34 -0.23 -3.90 6.28 4.76 0.16 -5.05 118.16 118.85 2cfx n LYS 30 Ca 0.05 0.27 -0.11 0.00 -2.87 0.00 0.00 58.31 55.66 2cfx n LYS 30 Cb 0.34 -2.01 -0.10 0.00 -1.84 0.00 0.00 35.03 31.42 2cfx n LYS 30 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2cfx s LEU 31 N -2.94 1.70 0.68 -0.35 1.43 -0.59 -5.04 118.68 113.57 2cfx s LEU 31 Ca 0.04 -0.28 -0.15 0.00 -1.03 0.00 0.00 54.13 52.70 2cfx s LEU 31 Cb -0.00 0.56 0.01 0.00 0.03 0.00 0.00 46.19 46.78 2cfx s LEU 31 CO 0.09 -0.36 1.14 -0.94 0.23 0.00 0.00 176.35 176.50 2cfx s SER 32 N -1.43 4.86 0.31 2.29 1.04 -1.26 -4.44 113.70 115.07 2cfx s SER 32 Ca -0.15 2.11 0.07 0.00 0.48 0.00 0.00 55.95 58.46 2cfx s SER 32 Cb -0.08 -2.56 0.52 0.00 0.10 0.00 0.00 66.02 64.00 2cfx s SER 32 CO 0.01 -1.80 1.75 1.55 0.98 0.00 0.00 173.24 175.73 2cfx h PRO 33 N -0.02 0.27 0.00 4.02 0.13 -1.96 -1.24 132.00 133.20 2cfx h PRO 33 Ca -0.47 -0.11 -0.04 0.00 -0.87 0.00 0.00 66.00 64.51 2cfx h PRO 33 Cb 1.26 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.37 2cfx h PRO 33 CO 0.53 0.57 -0.17 -1.00 -0.23 0.00 0.00 178.00 177.70 2cfx h PRO 34 N 0.24 0.00 0.03 1.56 0.13 -1.98 -2.04 132.00 129.94 2cfx h PRO 34 Ca 0.03 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 64.93 2cfx h PRO 34 Cb 0.70 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.83 2cfx h PRO 34 CO 0.05 0.17 -1.00 1.03 -0.23 0.00 0.00 178.00 178.02 2cfx h SER 35 N 0.00 0.43 -0.02 1.44 0.87 -1.68 -2.48 113.55 112.11 2cfx h SER 35 Ca -0.00 -0.37 -0.12 0.00 -1.23 0.00 0.00 61.79 60.07 2cfx h SER 35 Cb 0.54 -0.13 0.01 0.00 -0.44 0.00 0.00 62.40 62.37 2cfx h SER 35 CO 0.02 1.20 -0.46 0.58 -0.53 0.00 0.00 176.83 177.64 2cfx h VAL 36 N 0.16 1.45 -0.10 2.23 2.07 -1.25 -2.78 116.25 118.03 2cfx h VAL 36 Ca -0.08 -1.97 -0.15 0.00 0.82 0.00 0.00 66.70 65.31 2cfx h VAL 36 Cb 1.66 2.57 -0.01 0.00 -1.52 0.00 0.00 31.29 33.99 2cfx h VAL 36 CO 0.17 0.56 -0.60 0.71 0.02 0.00 0.00 177.57 178.43 2cfx h THR 37 N -0.20 1.37 -0.15 2.57 1.35 -1.41 0.47 112.91 116.90 2cfx h THR 37 Ca -0.05 -1.94 -0.07 0.00 -0.55 0.00 0.00 66.41 63.79 2cfx h THR 37 Cb 1.17 1.95 -0.01 0.00 -1.73 0.00 0.00 68.15 69.53 2cfx h THR 37 CO 0.09 0.58 -0.24 -0.08 -0.25 0.00 0.00 175.52 175.62 2cfx h GLU 38 N 0.24 0.26 -0.17 4.72 4.57 -1.57 0.36 114.58 122.99 2cfx h GLU 38 Ca -0.01 -0.08 -0.17 0.00 -1.18 0.00 0.00 59.36 57.92 2cfx h GLU 38 Cb 1.12 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.68 2cfx h GLU 38 CO 0.10 0.49 -0.58 0.00 -1.18 0.00 0.00 179.01 177.84 2cfx h ARG 39 N 0.23 0.55 -0.25 1.92 3.08 -1.07 -2.18 114.38 116.66 2cfx h ARG 39 Ca 0.04 -0.36 -0.15 0.00 0.07 0.00 0.00 59.98 59.57 2cfx h ARG 39 Cb 0.57 0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.66 2cfx h ARG 39 CO 0.04 0.97 -0.47 0.28 -1.07 0.00 0.00 179.97 179.72 2cfx h VAL 40 N 0.41 1.30 -0.52 2.04 2.07 -0.81 -2.43 116.25 118.32 2cfx h VAL 40 Ca 0.00 -1.68 0.02 0.00 0.82 0.00 0.00 66.70 65.86 2cfx h VAL 40 Cb 1.13 1.62 -0.03 0.00 -1.52 0.00 0.00 31.29 32.49 2cfx h VAL 40 CO 0.11 0.53 0.32 0.03 0.02 0.00 0.00 177.57 178.58 2cfx h ARG 41 N 0.52 0.63 -0.30 1.57 -0.00 -0.88 -2.30 114.38 113.62 2cfx h ARG 41 Ca 0.03 -0.04 -0.14 0.00 -0.50 0.00 0.00 59.98 59.33 2cfx h ARG 41 Cb 1.02 -0.14 -0.01 0.00 0.00 0.00 0.00 29.97 30.84 2cfx h ARG 41 CO 0.10 0.42 -0.38 1.96 0.00 0.00 0.00 179.97 182.06 2cfx h GLN 42 N 0.65 0.71 0.00 0.04 1.08 -1.35 -2.18 115.11 114.06 2cfx h GLN 42 Ca 0.20 -0.35 -0.09 0.00 -1.45 0.00 0.00 58.65 56.96 2cfx h GLN 42 Cb -0.02 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.40 2cfx h GLN 42 CO -0.07 0.97 -0.43 -0.07 -0.95 0.00 0.00 178.83 178.28 2cfx h LEU 43 N 0.58 0.00 0.04 1.46 3.38 -1.29 -1.92 115.31 117.56 2cfx h LEU 43 Ca 0.05 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.78 2cfx h LEU 43 Cb 0.91 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.64 2cfx h LEU 43 CO 0.08 0.43 -1.20 -0.33 0.09 0.00 0.00 178.44 177.50 2cfx h GLU 44 N 0.00 0.08 0.00 1.13 5.08 -1.26 0.12 114.58 119.73 2cfx h GLU 44 Ca -0.00 -0.14 -0.04 0.00 -1.00 0.00 0.00 59.36 58.17 2cfx h GLU 44 Cb 0.84 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.14 2cfx h GLU 44 CO 0.06 0.99 -0.90 0.66 -1.00 0.00 0.00 179.01 178.81 2cfx h SER 45 N 0.02 0.00 0.32 1.42 4.64 -1.30 -2.84 113.55 115.81 2cfx h SER 45 Ca -0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.22 2cfx h SER 45 Cb 1.87 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.96 2cfx h SER 45 CO 0.14 0.15 -0.25 0.49 -0.87 0.00 0.00 176.83 176.50 2cfx n PHE 46 N -2.82 0.00 -1.96 4.77 3.01 -0.73 -4.94 117.46 114.78 2cfx n PHE 46 Ca -0.01 0.00 -0.04 0.00 1.01 0.00 0.00 57.45 58.41 2cfx n PHE 46 Cb 0.62 -0.16 -0.00 0.00 -0.01 0.00 0.00 39.48 39.93 2cfx n PHE 46 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2cfx n GLY 47 N 1.35 0.27 0.09 1.37 0.00 -1.07 -4.95 105.19 102.24 2cfx n GLY 47 Ca 0.12 -0.75 -0.13 0.00 0.00 0.00 0.00 46.02 45.26 2cfx n GLY 47 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2cfx h ILE 48 N 0.00 1.40 -3.36 -0.61 2.04 -1.05 -3.41 117.51 112.52 2cfx h ILE 48 Ca -0.09 -1.31 -0.57 0.00 1.00 0.00 0.00 64.86 63.89 2cfx h ILE 48 Cb 0.97 2.16 -0.07 0.00 -0.74 0.00 0.00 36.82 39.15 2cfx h ILE 48 CO 0.11 0.36 0.13 -0.63 0.00 0.00 0.00 178.15 178.11 2cfx s ILE 49 N -4.11 5.02 -0.08 -0.67 1.01 -0.70 -4.95 121.20 116.72 2cfx s ILE 49 Ca -0.15 1.38 0.11 0.00 0.00 0.00 0.00 60.65 61.98 2cfx s ILE 49 Cb 0.03 -4.02 -0.16 0.00 0.01 0.00 0.00 42.46 38.32 2cfx s ILE 49 CO 0.71 0.18 0.12 0.29 0.00 0.00 0.00 174.94 176.24 2cfx n LYS 50 N 4.33 1.55 -3.63 2.79 5.02 -1.26 -4.59 118.16 122.37 2cfx n LYS 50 Ca -0.01 -0.04 -0.06 0.00 -2.02 0.00 0.00 58.31 56.18 2cfx n LYS 50 Cb 0.51 -1.30 -0.06 0.00 -0.02 0.00 0.00 35.03 34.16 2cfx n LYS 50 CO 0.00 0.00 0.00 -1.14 -0.52 0.00 0.00 177.40 175.74 2cfx s GLN 51 N -2.47 0.30 -0.26 1.97 0.74 -1.26 -5.13 119.66 113.55 2cfx s GLN 51 Ca -0.05 0.21 -0.14 0.00 0.05 0.00 0.00 55.36 55.43 2cfx s GLN 51 Cb 0.05 0.14 -0.04 0.00 1.10 0.00 0.00 33.01 34.26 2cfx s GLN 51 CO 0.49 -0.06 0.33 0.71 -0.55 0.00 0.00 175.29 176.20 2cfx s TYR 52 N -0.41 3.27 0.00 1.67 1.51 -1.26 -5.03 117.35 117.10 2cfx s TYR 52 Ca 0.04 0.38 0.00 0.00 -1.01 0.00 0.00 57.07 56.49 2cfx s TYR 52 Cb -0.03 -2.51 0.00 0.00 -0.11 0.00 0.00 41.96 39.31 2cfx s TYR 52 CO -0.08 -0.16 0.00 -2.37 -1.11 0.00 0.00 175.55 171.84 2cfx n THR 53 N 4.92 0.00 -3.62 -0.71 5.66 -1.26 -5.16 114.28 114.11 2cfx n THR 53 Ca -0.10 0.00 -0.02 0.00 -3.05 0.00 0.00 64.05 60.88 2cfx n THR 53 Cb 0.51 0.00 -0.05 0.00 -1.55 0.00 0.00 70.33 69.24 2cfx n THR 53 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 175.07 171.80 2cfx s LEU 54 N 0.00 -1.00 -0.06 1.09 2.96 -1.26 -4.93 118.68 115.48 2cfx s LEU 54 Ca 0.00 1.43 -0.23 0.00 -0.22 0.00 0.00 54.13 55.12 2cfx s LEU 54 Cb 0.00 2.23 -0.04 0.00 0.50 0.00 0.00 46.19 48.88 2cfx s LEU 54 CO 0.00 -0.21 0.68 -0.70 -1.32 0.00 0.00 176.35 174.80 2cfx s GLU 55 N 2.46 4.43 0.03 1.98 2.12 -1.26 -5.07 118.70 123.39 2cfx s GLU 55 Ca -0.07 0.85 0.08 0.00 0.36 0.00 0.00 54.97 56.19 2cfx s GLU 55 Cb -0.09 -3.44 -0.03 0.00 0.26 0.00 0.00 34.13 30.83 2cfx s GLU 55 CO -0.19 0.09 -0.25 0.54 -0.54 0.00 0.00 175.26 174.91 2cfx s VAL 56 N 0.73 2.27 -0.33 3.70 0.11 -1.26 -5.09 120.40 120.52 2cfx s VAL 56 Ca 0.36 -1.28 -0.23 0.00 -2.93 0.00 0.00 61.98 57.90 2cfx s VAL 56 Cb -0.18 -1.88 0.00 0.00 -1.53 0.00 0.00 36.38 32.80 2cfx s VAL 56 CO 0.18 0.41 0.76 -0.62 -3.33 0.00 0.00 175.10 172.50 2cfx s ASP 57 N -1.14 6.60 0.12 3.54 2.15 -1.26 -4.93 116.67 121.75 2cfx s ASP 57 Ca 0.12 0.52 -0.12 0.00 0.43 0.00 0.00 52.55 53.50 2cfx s ASP 57 Cb -0.10 -2.39 -0.08 0.00 -0.30 0.00 0.00 42.92 40.04 2cfx s ASP 57 CO 0.02 -0.63 1.41 1.56 -0.17 0.00 0.00 175.17 177.36 2cfx h GLN 58 N 8.25 0.86 -0.20 4.34 1.08 -1.98 -2.72 115.11 124.74 2cfx h GLN 58 Ca -0.25 -0.52 0.06 0.00 -1.45 0.00 0.00 58.65 56.49 2cfx h GLN 58 Cb 1.10 0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 28.57 2cfx h GLN 58 CO 0.88 1.16 0.18 -0.22 -0.95 0.00 0.00 178.83 179.88 2cfx h LYS 59 N 0.64 0.00 0.00 1.46 3.64 -1.89 -0.40 116.57 120.03 2cfx h LYS 59 Ca 0.03 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.36 2cfx h LYS 59 Cb 1.08 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.89 2cfx h LYS 59 CO 0.11 0.00 -1.18 1.63 -2.27 0.00 0.00 179.45 177.74 2cfx n LYS 60 N -4.04 0.61 -0.01 1.90 5.02 -1.05 -2.85 118.16 117.75 2cfx n LYS 60 Ca 0.02 0.13 0.13 0.00 -2.02 0.00 0.00 58.31 56.56 2cfx n LYS 60 Cb 0.32 -1.80 0.72 0.00 -0.02 0.00 0.00 35.03 34.24 2cfx n LYS 60 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2cfx n LEU 61 N -2.70 0.28 0.00 -0.35 4.77 -0.86 -4.94 117.00 113.19 2cfx n LEU 61 Ca -0.03 -0.10 0.00 0.00 -0.03 0.00 0.00 56.01 55.85 2cfx n LEU 61 Cb 0.63 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.71 2cfx n LEU 61 CO 0.41 0.05 0.00 0.61 -1.33 0.00 0.00 177.39 177.13 2cfx n GLY 62 N 0.95 0.76 2.51 -0.72 0.00 -0.99 -5.00 105.19 102.70 2cfx n GLY 62 Ca 0.19 -0.22 -0.27 0.00 0.00 0.00 0.00 46.02 45.73 2cfx n GLY 62 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2cfx n LEU 63 N 0.00 3.60 0.00 0.99 4.77 -0.21 -4.18 117.00 121.97 2cfx n LEU 63 Ca 0.00 -5.43 0.14 0.00 -0.03 0.00 0.00 56.01 50.69 2cfx n LEU 63 Cb 0.00 -0.52 0.74 0.00 -2.33 0.00 0.00 43.42 41.32 2cfx n LEU 63 CO 0.00 2.13 1.00 -0.81 -1.33 0.00 0.00 177.39 178.38 2cfx n PRO 64 N 0.64 0.47 -4.41 3.23 -0.04 -1.09 -3.35 135.00 130.44 2cfx n PRO 64 Ca 0.29 0.01 -0.35 0.00 -0.04 0.00 0.00 63.50 63.42 2cfx n PRO 64 Cb 0.42 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.28 2cfx n PRO 64 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2cfx s VAL 65 N -2.51 4.17 -0.01 0.52 1.01 -0.61 -4.87 120.40 118.10 2cfx s VAL 65 Ca 0.29 -0.30 0.02 0.00 0.00 0.00 0.00 61.98 61.99 2cfx s VAL 65 Cb 0.19 -2.75 -0.00 0.00 0.00 0.00 0.00 36.38 33.82 2cfx s VAL 65 CO 0.43 0.59 -0.05 -0.44 0.00 0.00 0.00 175.10 175.63 2cfx s SER 66 N -0.70 0.65 0.06 3.32 0.01 -1.26 -0.28 113.70 115.51 2cfx s SER 66 Ca 0.11 -0.10 0.02 0.00 1.31 0.00 0.00 55.95 57.29 2cfx s SER 66 Cb -0.12 -0.11 -0.03 0.00 0.21 0.00 0.00 66.02 65.98 2cfx s SER 66 CO 0.02 0.05 -0.07 0.00 0.41 0.00 0.00 173.24 173.65 2cfx s ILE 68 N -2.27 5.31 -0.13 0.00 -1.09 0.15 -1.35 121.20 121.82 2cfx s ILE 68 Ca -0.01 0.52 0.02 0.00 -2.23 0.00 0.00 60.65 58.95 2cfx s ILE 68 Cb -0.04 -3.62 0.01 0.00 -1.58 0.00 0.00 42.46 37.24 2cfx s ILE 68 CO -0.02 0.40 -0.19 -0.69 -1.23 0.00 0.00 174.94 173.21 2cfx s VAL 69 N 0.40 1.85 -0.30 2.92 1.01 -0.16 0.54 120.40 126.66 2cfx s VAL 69 Ca 0.16 -0.85 -0.14 0.00 0.00 0.00 0.00 61.98 61.15 2cfx s VAL 69 Cb -0.13 -1.65 -0.03 0.00 0.00 0.00 0.00 36.38 34.57 2cfx s VAL 69 CO 0.04 0.51 0.30 -0.70 0.00 0.00 0.00 175.10 175.25 2cfx s GLU 70 N 0.88 3.79 0.01 2.72 2.12 0.51 -1.31 118.70 127.42 2cfx s GLU 70 Ca -0.07 -0.29 0.05 0.00 0.36 0.00 0.00 54.97 55.02 2cfx s GLU 70 Cb -0.15 -3.72 -0.03 0.00 0.26 0.00 0.00 34.13 30.48 2cfx s GLU 70 CO -0.02 -0.35 -0.13 0.00 -0.54 0.00 0.00 175.26 174.23 2cfx s ALA 71 N 1.92 2.79 -0.16 6.30 0.00 -0.14 -0.89 121.76 131.58 2cfx s ALA 71 Ca 0.11 -1.09 -0.01 0.00 0.00 0.00 0.00 51.96 50.97 2cfx s ALA 71 Cb -0.16 -0.94 0.04 0.00 0.00 0.00 0.00 23.12 22.06 2cfx s ALA 71 CO 0.11 0.59 -0.03 -0.08 0.00 0.00 0.00 175.76 176.34 2cfx s THR 72 N -0.93 0.96 0.28 0.00 -1.32 0.94 -0.47 115.64 115.10 2cfx s THR 72 Ca 0.15 -0.56 -0.30 0.00 -1.21 0.00 0.00 61.69 59.77 2cfx s THR 72 Cb -0.11 -1.19 -0.12 0.00 -1.51 0.00 0.00 72.50 69.57 2cfx s THR 72 CO 0.06 0.08 1.51 0.52 -2.21 0.00 0.00 174.62 174.58 2cfx n VAL 73 N 4.92 1.10 -2.86 5.08 0.31 -1.26 -0.32 118.33 125.30 2cfx n VAL 73 Ca -0.11 -0.28 -0.32 0.00 -0.01 0.00 0.00 64.34 63.63 2cfx n VAL 73 Cb 0.48 -1.77 -0.05 0.00 -0.91 0.00 0.00 33.84 31.58 2cfx n VAL 73 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 2cfx s LYS 74 N -0.63 3.98 -1.36 5.55 1.02 0.22 -4.33 119.74 124.19 2cfx s LYS 74 Ca 0.64 0.77 -0.07 0.00 0.02 0.00 0.00 55.97 57.33 2cfx s LYS 74 Cb -0.55 -2.31 0.05 0.00 -0.52 0.00 0.00 37.83 34.49 2cfx s LYS 74 CO 0.50 -0.01 0.50 0.09 -0.92 0.00 0.00 175.35 175.51 2cfx n ASN 75 N -0.89 -4.49 -1.39 2.83 3.02 -1.26 -1.80 115.26 111.28 2cfx n ASN 75 Ca 0.05 -0.33 -0.13 0.00 -0.03 0.00 0.00 54.58 54.14 2cfx n ASN 75 Cb 0.54 -3.69 -0.06 0.00 -0.61 0.00 0.00 39.78 35.96 2cfx n ASN 75 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2cfx n ALA 76 N -3.47 -0.21 -3.30 5.41 0.00 -1.26 -4.86 120.51 112.83 2cfx n ALA 76 Ca -0.05 0.22 -0.45 0.00 0.00 0.00 0.00 53.44 53.15 2cfx n ALA 76 Cb 0.57 -1.41 -0.00 0.00 0.00 0.00 0.00 19.45 18.61 2cfx n ALA 76 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2cfx s ASP 77 N -2.13 7.27 0.24 0.00 -1.08 -0.74 -4.83 116.67 115.39 2cfx s ASP 77 Ca 0.00 -3.48 -0.02 0.00 -0.52 0.00 0.00 52.55 48.53 2cfx s ASP 77 Cb 0.00 -2.23 0.28 0.00 -1.46 0.00 0.00 42.92 39.51 2cfx s ASP 77 CO 0.00 -0.35 1.68 1.88 0.52 0.00 0.00 175.17 178.89 2cfx h TYR 78 N 6.79 0.77 -0.13 -5.34 -1.99 -1.89 -2.83 116.97 112.35 2cfx h TYR 78 Ca 0.19 -0.16 -0.17 0.00 2.00 0.00 0.00 58.73 60.59 2cfx h TYR 78 Cb 0.88 -0.19 0.01 0.00 2.00 0.00 0.00 36.73 39.43 2cfx h TYR 78 CO 0.81 0.83 -0.59 0.93 -0.00 0.00 0.00 178.16 180.14 2cfx h GLU 79 N 0.61 0.62 -0.46 4.88 4.39 -1.99 -1.63 114.58 121.00 2cfx h GLU 79 Ca 0.09 -0.50 0.05 0.00 0.34 0.00 0.00 59.36 59.34 2cfx h GLU 79 Cb 0.67 0.10 -0.05 0.00 -0.10 0.00 0.00 28.75 29.37 2cfx h GLU 79 CO 0.05 1.12 0.19 -0.09 -1.16 0.00 0.00 179.01 179.12 2cfx h ARG 80 N 0.27 0.38 -0.25 2.33 2.43 -1.96 -0.52 114.38 117.06 2cfx h ARG 80 Ca -0.04 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 2cfx h ARG 80 Cb 1.23 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.68 2cfx h ARG 80 CO 0.12 0.25 0.16 0.35 -1.51 0.00 0.00 179.97 179.35 2cfx h PHE 81 N 0.39 0.31 0.12 2.20 3.57 -1.44 -2.01 116.94 120.08 2cfx h PHE 81 Ca 0.21 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.71 2cfx h PHE 81 Cb 0.17 -0.11 -0.00 0.00 2.79 0.00 0.00 35.95 38.80 2cfx h PHE 81 CO -0.13 0.20 -0.06 -0.22 -2.23 0.00 0.00 178.31 175.86 2cfx h LYS 82 N 0.34 -0.17 -0.76 1.11 3.64 -1.15 -0.39 116.57 119.19 2cfx h LYS 82 Ca 0.09 0.01 0.17 0.00 -1.27 0.00 0.00 60.65 59.65 2cfx h LYS 82 Cb -0.04 0.04 -0.12 0.00 -0.41 0.00 0.00 32.23 31.70 2cfx h LYS 82 CO -0.02 -0.11 0.17 0.77 -2.27 0.00 0.00 179.45 177.98 2cfx h SER 83 N -0.17 -0.03 0.07 4.20 0.02 -1.06 -1.47 113.55 115.10 2cfx h SER 83 Ca -0.01 0.16 -0.00 0.00 -0.84 0.00 0.00 61.79 61.09 2cfx h SER 83 Cb 0.14 0.22 0.00 0.00 0.14 0.00 0.00 62.40 62.90 2cfx h SER 83 CO 0.02 -0.07 -0.03 0.22 -1.14 0.00 0.00 176.83 175.83 2cfx h TYR 84 N 0.24 -0.08 -0.29 3.45 3.20 -1.03 -3.11 116.97 119.34 2cfx h TYR 84 Ca 0.43 -0.00 -0.09 0.00 3.14 0.00 0.00 58.73 62.21 2cfx h TYR 84 Cb 0.76 0.03 -0.01 0.00 1.54 0.00 0.00 36.73 39.05 2cfx h TYR 84 CO -0.28 0.07 -0.22 0.82 -1.64 0.00 0.00 178.16 176.91 2cfx h ILE 85 N -0.22 1.26 0.00 1.81 1.08 -0.78 -2.79 117.51 117.87 2cfx h ILE 85 Ca -0.01 -1.23 0.00 0.00 -0.39 0.00 0.00 64.86 63.23 2cfx h ILE 85 Cb 0.19 1.27 0.00 0.00 -3.07 0.00 0.00 36.82 35.21 2cfx h ILE 85 CO 0.02 0.40 0.00 1.56 -0.69 0.00 0.00 178.15 179.43 2cfx h GLN 86 N 0.49 0.00 -0.01 2.37 4.20 -1.26 -2.14 115.11 118.75 2cfx h GLN 86 Ca 0.08 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.79 2cfx h GLN 86 Cb 0.65 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.43 2cfx h GLN 86 CO 0.05 0.00 0.00 0.25 -0.67 0.00 0.00 178.83 178.46 2cfx n THR 87 N -2.96 0.02 -4.40 -0.54 -2.24 -1.05 -4.93 114.28 98.17 2cfx n THR 87 Ca 0.01 -0.03 -0.35 0.00 -2.27 0.00 0.00 64.05 61.41 2cfx n THR 87 Cb 0.32 -0.22 -0.10 0.00 -2.10 0.00 0.00 70.33 68.23 2cfx n THR 87 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2cfx s LEU 88 N -1.55 3.52 0.52 3.22 1.43 -0.81 -5.11 118.68 119.91 2cfx s LEU 88 Ca 0.27 0.11 -0.17 0.00 -1.03 0.00 0.00 54.13 53.31 2cfx s LEU 88 Cb 0.12 -1.80 -0.07 0.00 0.03 0.00 0.00 46.19 44.47 2cfx s LEU 88 CO 0.21 0.37 1.00 -2.16 0.23 0.00 0.00 176.35 175.99 2cfx s PRO 89 N -0.81 3.85 -0.85 1.29 0.04 -1.26 -4.42 135.00 132.85 2cfx s PRO 89 Ca 0.12 1.04 0.00 0.00 0.04 0.00 0.00 61.00 62.21 2cfx s PRO 89 Cb -0.11 -2.12 0.00 0.00 0.04 0.00 0.00 34.50 32.31 2cfx s PRO 89 CO 0.02 -0.36 0.00 0.09 0.04 0.00 0.00 177.00 176.79 2cfx n ASN 90 N -1.54 -4.10 -4.43 6.66 3.02 -1.26 -4.96 115.26 108.65 2cfx n ASN 90 Ca 0.07 0.20 -0.44 0.00 -0.03 0.00 0.00 54.58 54.38 2cfx n ASN 90 Cb 0.54 -2.30 -0.05 0.00 -0.61 0.00 0.00 39.78 37.36 2cfx n ASN 90 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2cfx s ILE 91 N -2.25 4.65 0.19 2.41 -1.09 -1.26 -1.50 121.20 122.35 2cfx s ILE 91 Ca 0.00 -0.54 -0.10 0.00 -2.23 0.00 0.00 60.65 57.78 2cfx s ILE 91 Cb 0.00 -4.50 0.10 0.00 -1.58 0.00 0.00 42.46 36.48 2cfx s ILE 91 CO 0.00 -1.13 1.71 -0.08 -1.23 0.00 0.00 174.94 174.21 2cfx h GLU 92 N 9.25 1.06 -3.16 2.79 4.81 -1.56 -3.47 114.58 124.30 2cfx h GLU 92 Ca -0.28 -0.24 -0.02 0.00 -0.13 0.00 0.00 59.36 58.68 2cfx h GLU 92 Cb 1.08 -0.15 -0.11 0.00 0.63 0.00 0.00 28.75 30.20 2cfx h GLU 92 CO 1.09 0.93 0.10 -0.59 -0.73 0.00 0.00 179.01 179.81 2cfx s PHE 93 N -5.37 -0.35 -0.23 0.92 -0.12 -1.25 -4.94 117.98 106.65 2cfx s PHE 93 Ca -0.12 0.07 -0.03 0.00 -0.05 0.00 0.00 56.93 56.79 2cfx s PHE 93 Cb 0.14 0.46 0.10 0.00 -0.63 0.00 0.00 43.02 43.09 2cfx s PHE 93 CO 0.83 -0.85 0.21 0.00 -0.05 0.00 0.00 175.22 175.36 2cfx s TYR 95 N 2.28 3.20 -0.20 0.00 1.51 0.11 -4.95 117.35 119.30 2cfx s TYR 95 Ca 0.07 0.08 -0.27 0.00 -1.01 0.00 0.00 57.07 55.94 2cfx s TYR 95 Cb -0.15 -1.93 -0.00 0.00 -0.11 0.00 0.00 41.96 39.77 2cfx s TYR 95 CO -0.20 0.29 0.95 0.50 -1.11 0.00 0.00 175.55 175.98 2cfx s ARG 96 N -0.24 4.28 0.32 -0.62 6.06 -1.26 -1.21 118.95 126.28 2cfx s ARG 96 Ca 0.06 1.21 0.10 0.00 -2.50 0.00 0.00 55.73 54.60 2cfx s ARG 96 Cb -0.12 -3.61 -0.06 0.00 0.06 0.00 0.00 34.95 31.22 2cfx s ARG 96 CO 0.02 -0.49 -0.09 0.96 -2.50 0.00 0.00 175.30 173.20 2cfx s ILE 97 N 2.69 2.52 -0.35 4.11 -4.36 -0.13 -4.97 121.20 120.70 2cfx s ILE 97 Ca 0.42 -2.18 -0.09 0.00 -0.26 0.00 0.00 60.65 58.53 2cfx s ILE 97 Cb -0.16 -2.60 0.03 0.00 1.25 0.00 0.00 42.46 40.98 2cfx s ILE 97 CO 0.10 -0.28 0.16 0.00 0.24 0.00 0.00 174.94 175.16 2cfx s ALA 98 N -2.53 3.20 0.00 2.27 0.00 -1.26 -4.67 121.76 118.76 2cfx s ALA 98 Ca 0.32 -1.68 0.00 0.00 0.00 0.00 0.00 51.96 50.60 2cfx s ALA 98 Cb -0.01 -2.45 0.00 0.00 0.00 0.00 0.00 23.12 20.65 2cfx s ALA 98 CO 0.17 -1.30 0.00 0.41 0.00 0.00 0.00 175.76 175.04 2cfx n GLY 99 N 4.93 -0.63 0.10 0.00 0.00 -1.26 -5.03 105.19 103.31 2cfx n GLY 99 Ca -0.12 -0.56 -0.14 0.00 0.00 0.00 0.00 46.02 45.19 2cfx n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2cfx h ALA 100 N 0.00 0.38 -2.20 4.61 0.00 -2.01 -3.46 119.26 116.58 2cfx h ALA 100 Ca 0.00 -1.17 -0.46 0.00 0.00 0.00 0.00 54.91 53.28 2cfx h ALA 100 Cb 0.00 0.30 0.09 0.00 0.00 0.00 0.00 17.79 18.18 2cfx h ALA 100 CO 0.00 1.25 0.25 0.00 0.00 0.00 0.00 179.25 180.75 2cfx s ALA 101 N -2.62 3.07 -0.18 0.00 0.00 -1.26 -5.00 121.76 115.76 2cfx s ALA 101 Ca -0.08 -1.02 0.06 0.00 0.00 0.00 0.00 51.96 50.92 2cfx s ALA 101 Cb 0.07 -2.59 -0.22 0.00 0.00 0.00 0.00 23.12 20.39 2cfx s ALA 101 CO 0.84 -1.48 0.11 0.00 0.00 0.00 0.00 175.76 175.23 2cfx s TYR 103 N -2.53 0.27 -0.08 0.00 1.51 -0.89 -0.96 117.35 114.67 2cfx s TYR 103 Ca -0.21 -0.56 0.04 0.00 -1.01 0.00 0.00 57.07 55.32 2cfx s TYR 103 Cb 0.08 -0.20 0.00 0.00 -0.11 0.00 0.00 41.96 41.73 2cfx s TYR 103 CO 0.73 -0.23 -0.20 -1.64 -1.11 0.00 0.00 175.55 173.10 2cfx s MET 104 N -1.79 2.51 0.23 -0.62 -1.94 -0.35 -0.96 119.30 116.38 2cfx s MET 104 Ca -0.13 -0.73 0.02 0.00 -1.71 0.00 0.00 55.69 53.14 2cfx s MET 104 Cb -0.07 -1.97 -0.05 0.00 2.01 0.00 0.00 34.83 34.75 2cfx s MET 104 CO -0.02 0.17 0.05 -0.48 -0.01 0.00 0.00 175.02 174.73 2cfx s LEU 105 N 0.34 1.87 -0.06 -0.03 0.05 -0.43 0.08 118.68 120.50 2cfx s LEU 105 Ca -0.15 -1.29 0.06 0.00 0.05 0.00 0.00 54.13 52.80 2cfx s LEU 105 Cb -0.16 -0.04 -0.01 0.00 -2.05 0.00 0.00 46.19 43.93 2cfx s LEU 105 CO 0.06 -0.65 -0.24 -0.75 -0.55 0.00 0.00 176.35 174.22 2cfx s LYS 106 N -3.97 2.59 -0.06 1.48 2.20 -0.89 -0.98 119.74 120.10 2cfx s LYS 106 Ca 0.32 -0.89 0.06 0.00 -0.36 0.00 0.00 55.97 55.10 2cfx s LYS 106 Cb 0.07 -2.15 -0.01 0.00 -1.51 0.00 0.00 37.83 34.23 2cfx s LYS 106 CO 0.10 0.34 -0.24 -1.50 -0.36 0.00 0.00 175.35 173.68 2cfx s ILE 107 N -0.07 2.10 -0.13 5.43 2.07 -0.46 -1.29 121.20 128.84 2cfx s ILE 107 Ca -0.06 -1.05 -0.07 0.00 -1.41 0.00 0.00 60.65 58.07 2cfx s ILE 107 Cb -0.14 -1.76 -0.04 0.00 0.13 0.00 0.00 42.46 40.64 2cfx s ILE 107 CO 0.04 0.57 0.11 0.20 -1.91 0.00 0.00 174.94 173.96 2cfx s ASN 108 N -0.11 6.14 0.07 4.50 -0.87 -0.56 -1.46 114.94 122.64 2cfx s ASN 108 Ca -0.05 0.36 -0.04 0.00 -1.57 0.00 0.00 52.86 51.56 2cfx s ASN 108 Cb -0.14 -1.98 -0.02 0.00 -0.02 0.00 0.00 41.25 39.09 2cfx s ASN 108 CO 0.04 0.36 0.06 0.00 -2.57 0.00 0.00 177.10 174.99 2cfx s ALA 109 N -0.71 0.22 0.35 0.60 0.00 0.62 -4.83 121.76 118.00 2cfx s ALA 109 Ca 0.13 -0.97 0.10 0.00 0.00 0.00 0.00 51.96 51.21 2cfx s ALA 109 Cb -0.12 0.36 0.64 0.00 0.00 0.00 0.00 23.12 24.00 2cfx s ALA 109 CO 0.03 -0.43 1.80 0.93 0.00 0.00 0.00 175.76 178.09 2cfx h GLU 110 N 2.99 0.15 -2.07 0.00 3.07 -1.86 -1.56 114.58 115.30 2cfx h GLU 110 Ca -0.34 -0.06 0.23 0.00 -0.50 0.00 0.00 59.36 58.69 2cfx h GLU 110 Cb 1.16 -0.01 -0.09 0.00 -0.84 0.00 0.00 28.75 28.98 2cfx h GLU 110 CO 0.62 0.46 0.62 -1.54 -1.40 0.00 0.00 179.01 177.77 2cfx s SER 111 N -6.90 -0.11 0.42 1.42 1.04 -1.26 -4.38 113.70 103.93 2cfx s SER 111 Ca -0.04 -0.34 0.11 0.00 0.48 0.00 0.00 55.95 56.15 2cfx s SER 111 Cb 0.14 0.38 0.95 0.00 0.10 0.00 0.00 66.02 67.59 2cfx s SER 111 CO 0.74 -0.70 2.02 -0.07 0.98 0.00 0.00 173.24 176.21 2cfx h LEU 112 N 2.00 0.41 -0.41 2.42 3.38 -1.97 -2.74 115.31 118.41 2cfx h LEU 112 Ca -0.26 -0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.66 2cfx h LEU 112 Cb 1.22 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.86 2cfx h LEU 112 CO 0.28 0.27 0.09 -0.08 0.09 0.00 0.00 178.44 179.09 2cfx h GLU 113 N 0.47 0.65 -0.69 1.13 4.81 -1.98 0.53 114.58 119.50 2cfx h GLU 113 Ca 0.22 -0.16 0.00 0.00 -0.13 0.00 0.00 59.36 59.29 2cfx h GLU 113 Cb 0.27 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.53 2cfx h GLU 113 CO -0.06 0.68 0.44 0.00 -0.73 0.00 0.00 179.01 179.35 2cfx h ALA 114 N 0.95 1.49 -0.21 2.92 0.00 -1.93 0.62 119.26 123.11 2cfx h ALA 114 Ca 0.13 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 2cfx h ALA 114 Cb 0.32 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 2cfx h ALA 114 CO 0.00 0.46 0.06 0.28 0.00 0.00 0.00 179.25 180.05 2cfx h VAL 115 N 0.93 1.20 -0.52 0.00 2.07 -1.08 -1.67 116.25 117.17 2cfx h VAL 115 Ca 0.25 -0.64 0.06 0.00 0.82 0.00 0.00 66.70 67.20 2cfx h VAL 115 Cb -0.09 1.22 -0.05 0.00 -1.52 0.00 0.00 31.29 30.85 2cfx h VAL 115 CO -0.05 0.20 0.22 -0.08 0.02 0.00 0.00 177.57 177.88 2cfx h GLU 116 N 0.16 0.42 -0.68 1.57 4.81 -0.57 -0.69 114.58 119.60 2cfx h GLU 116 Ca 0.07 -0.03 0.07 0.00 -0.13 0.00 0.00 59.36 59.35 2cfx h GLU 116 Cb 0.25 -0.09 -0.06 0.00 0.63 0.00 0.00 28.75 29.48 2cfx h GLU 116 CO -0.00 0.28 0.36 -0.44 -0.73 0.00 0.00 179.01 178.47 2cfx h ASP 117 N 0.43 0.50 -0.59 1.04 3.32 -0.78 -1.63 116.42 118.71 2cfx h ASP 117 Ca 0.25 0.04 0.05 0.00 0.02 0.00 0.00 57.03 57.39 2cfx h ASP 117 Cb 0.23 -0.05 -0.05 0.00 0.22 0.00 0.00 39.33 39.68 2cfx h ASP 117 CO -0.22 0.31 0.33 0.15 -1.72 0.00 0.00 179.24 178.09 2cfx h PHE 118 N 0.64 0.61 -0.13 4.55 3.57 -0.29 -0.08 116.94 125.81 2cfx h PHE 118 Ca 0.32 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.83 2cfx h PHE 118 Cb 0.27 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 38.82 2cfx h PHE 118 CO -0.09 0.31 0.03 0.82 -2.23 0.00 0.00 178.31 177.14 2cfx h ILE 119 N 0.63 1.21 -0.08 1.41 1.08 -0.73 -1.12 117.51 119.91 2cfx h ILE 119 Ca 0.26 -0.66 0.04 0.00 -0.39 0.00 0.00 64.86 64.11 2cfx h ILE 119 Cb 0.13 1.40 -0.05 0.00 -3.07 0.00 0.00 36.82 35.23 2cfx h ILE 119 CO -0.15 0.19 -0.23 0.78 -0.69 0.00 0.00 178.15 178.05 2cfx h ASN 120 N -0.00 -0.71 0.32 1.72 2.35 -1.22 -0.72 115.58 117.31 2cfx h ASN 120 Ca 0.04 0.11 -0.04 0.00 -0.55 0.00 0.00 56.30 55.86 2cfx h ASN 120 Cb 0.28 0.31 -0.01 0.00 0.05 0.00 0.00 38.32 38.95 2cfx h ASN 120 CO 0.00 -0.29 -0.17 0.11 -1.65 0.00 0.00 177.43 175.43 2cfx h LYS 121 N -0.32 0.00 0.00 0.81 6.56 -0.84 -2.81 116.57 119.97 2cfx h LYS 121 Ca 0.08 0.00 -0.02 0.00 -1.06 0.00 0.00 60.65 59.66 2cfx h LYS 121 Cb 0.45 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 32.10 2cfx h LYS 121 CO -0.27 0.17 -0.70 0.00 -2.06 0.00 0.00 179.45 176.60 2cfx h THR 122 N 0.00 0.08 -0.99 -0.16 1.03 -0.67 -3.39 112.91 108.81 2cfx h THR 122 Ca -0.00 -1.14 0.28 0.00 -0.01 0.00 0.00 66.41 65.54 2cfx h THR 122 Cb 0.38 1.74 -0.18 0.00 -1.07 0.00 0.00 68.15 69.02 2cfx h THR 122 CO 0.02 0.05 0.05 0.28 -0.01 0.00 0.00 175.52 175.90 2cfx h SER 123 N 0.00 -0.46 0.45 0.00 0.02 -0.87 0.68 113.55 113.38 2cfx h SER 123 Ca -0.01 0.28 0.00 0.00 -0.84 0.00 0.00 61.79 61.22 2cfx h SER 123 Cb 1.06 0.48 0.00 0.00 0.14 0.00 0.00 62.40 64.09 2cfx h SER 123 CO 0.01 -0.36 0.00 1.55 -1.14 0.00 0.00 176.83 176.88 2cfx h PRO 124 N 0.01 0.00 0.00 3.45 0.13 -1.79 -3.31 132.00 130.48 2cfx h PRO 124 Ca 0.61 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 65.50 2cfx h PRO 124 Cb 1.28 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.36 2cfx h PRO 124 CO -0.92 0.00 -2.07 0.66 -0.23 0.00 0.00 178.00 175.43 2cfx n TYR 125 N -2.99 0.00 -3.67 1.56 4.02 0.20 -4.77 117.16 111.52 2cfx n TYR 125 Ca -0.01 0.00 -0.11 0.00 -0.01 0.00 0.00 57.90 57.76 2cfx n TYR 125 Cb 0.17 -0.74 -0.08 0.00 -0.02 0.00 0.00 39.34 38.67 2cfx n TYR 125 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2cfx s ALA 126 N -2.56 -1.49 0.53 -0.72 0.00 -1.02 -0.61 121.76 115.89 2cfx s ALA 126 Ca -0.08 1.83 -0.20 0.00 0.00 0.00 0.00 51.96 53.51 2cfx s ALA 126 Cb 0.06 -1.08 -0.06 0.00 0.00 0.00 0.00 23.12 22.05 2cfx s ALA 126 CO 0.69 -0.30 1.18 -0.65 0.00 0.00 0.00 175.76 176.68 2cfx s GLN 127 N 0.85 3.35 0.06 0.00 -0.21 0.56 -4.08 119.66 120.19 2cfx s GLN 127 Ca -0.04 1.78 0.05 0.00 0.02 0.00 0.00 55.36 57.17 2cfx s GLN 127 Cb -0.05 -2.13 -0.03 0.00 1.00 0.00 0.00 33.01 31.81 2cfx s GLN 127 CO -0.07 -0.89 -0.14 0.95 -2.12 0.00 0.00 175.29 173.02 2cfx s THR 128 N -1.61 1.09 -0.11 -0.19 -4.23 -1.26 -0.04 115.64 109.29 2cfx s THR 128 Ca 0.71 -1.17 0.02 0.00 -1.18 0.00 0.00 61.69 60.07 2cfx s THR 128 Cb -0.29 -1.03 0.01 0.00 1.34 0.00 0.00 72.50 72.54 2cfx s THR 128 CO 0.33 -0.14 -0.16 -0.69 -0.54 0.00 0.00 174.62 173.42 2cfx s VAL 129 N -1.10 1.57 -0.20 2.29 1.01 -0.06 -4.98 120.40 118.93 2cfx s VAL 129 Ca -0.01 -0.69 -0.04 0.00 0.00 0.00 0.00 61.98 61.25 2cfx s VAL 129 Cb -0.09 -1.42 -0.02 0.00 0.00 0.00 0.00 36.38 34.85 2cfx s VAL 129 CO 0.02 0.45 -0.03 -0.89 0.00 0.00 0.00 175.10 174.65 2cfx s THR 130 N 0.94 3.67 -0.32 3.92 2.01 -1.26 -0.36 115.64 124.23 2cfx s THR 130 Ca -0.07 -0.41 -0.00 0.00 0.31 0.00 0.00 61.69 61.51 2cfx s THR 130 Cb -0.15 -2.65 0.07 0.00 0.01 0.00 0.00 72.50 69.78 2cfx s THR 130 CO -0.01 0.44 0.02 -1.00 -0.69 0.00 0.00 174.62 173.38 2cfx s HIS 131 N 1.03 3.38 0.31 4.92 3.76 0.19 -4.98 115.29 123.90 2cfx s HIS 131 Ca 0.01 -2.19 -0.29 0.00 -0.15 0.00 0.00 55.06 52.44 2cfx s HIS 131 Cb -0.15 -2.36 -0.11 0.00 1.11 0.00 0.00 32.58 31.07 2cfx s HIS 131 CO 0.01 -0.86 1.50 0.08 -0.85 0.00 0.00 174.74 174.61 2cfx s VAL 132 N 1.16 2.28 -0.15 -0.90 1.01 -1.26 0.33 120.40 122.87 2cfx s VAL 132 Ca -0.02 0.25 -0.24 0.00 0.00 0.00 0.00 61.98 61.98 2cfx s VAL 132 Cb -0.20 -3.16 -0.02 0.00 0.00 0.00 0.00 36.38 33.00 2cfx s VAL 132 CO -0.03 0.05 0.77 -0.63 0.00 0.00 0.00 175.10 175.26 2cfx s ILE 133 N -0.39 4.94 -0.08 2.22 1.01 -0.03 -4.87 121.20 123.99 2cfx s ILE 133 Ca 0.58 1.52 -0.18 0.00 0.00 0.00 0.00 60.65 62.57 2cfx s ILE 133 Cb -0.45 -4.09 -0.29 0.00 0.01 0.00 0.00 42.46 37.65 2cfx s ILE 133 CO 0.51 0.09 0.69 -0.26 0.00 0.00 0.00 174.94 175.97 2cfx h PHE 134 N 7.24 0.48 -2.07 3.97 0.05 -1.93 -3.44 116.94 121.24 2cfx h PHE 134 Ca -0.32 -0.35 0.17 0.00 3.82 0.00 0.00 57.97 61.29 2cfx h PHE 134 Cb 1.15 -0.02 -0.03 0.00 2.00 0.00 0.00 35.95 39.05 2cfx h PHE 134 CO 0.70 1.45 0.51 -1.13 -0.18 0.00 0.00 178.31 179.67 2cfx n SER 135 N -4.02 -1.03 -3.87 2.17 3.41 -1.26 -5.16 113.62 103.86 2cfx n SER 135 Ca -0.21 -1.42 -0.12 0.00 -0.26 0.00 0.00 58.87 56.87 2cfx n SER 135 Cb 0.86 1.65 -0.13 0.00 -0.26 0.00 0.00 64.21 66.33 2cfx n SER 135 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 2cfx s GLU 136 N -2.02 0.12 -0.19 4.33 2.12 -1.26 -5.12 118.70 116.68 2cfx s GLU 136 Ca 0.18 -0.06 -0.22 0.00 0.36 0.00 0.00 54.97 55.23 2cfx s GLU 136 Cb -0.01 0.05 -0.02 0.00 0.26 0.00 0.00 34.13 34.40 2cfx s GLU 136 CO 0.02 -0.02 0.67 0.42 -0.54 0.00 0.00 175.26 175.81 2cfx s ILE 137 N -0.28 4.99 -0.16 -3.70 1.01 -1.26 -5.03 121.20 116.77 2cfx s ILE 137 Ca -0.03 1.27 -0.29 0.00 0.00 0.00 0.00 60.65 61.60 2cfx s ILE 137 Cb -0.02 -3.98 -0.04 0.00 0.01 0.00 0.00 42.46 38.43 2cfx s ILE 137 CO 0.00 0.10 1.67 -0.62 0.00 0.00 0.00 174.94 176.09 2cfx s ASP 138 N 1.19 6.42 -0.05 3.58 2.15 -1.26 -4.90 116.67 123.79 2cfx s ASP 138 Ca 0.31 1.86 0.09 0.00 0.43 0.00 0.00 52.55 55.24 2cfx s ASP 138 Cb -0.16 -2.53 0.24 0.00 -0.30 0.00 0.00 42.92 40.17 2cfx s ASP 138 CO 0.11 -1.19 1.18 0.35 -0.17 0.00 0.00 175.17 175.45 2cfx n THR 139 N 6.16 1.37 0.71 1.71 -2.24 -1.26 -5.37 114.28 115.36 2cfx n THR 139 Ca 0.19 -1.36 0.08 0.00 -2.27 0.00 0.00 64.05 60.69 2cfx n THR 139 Cb 0.44 0.25 0.07 0.00 -2.10 0.00 0.00 70.33 68.99 2cfx n THR 139 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79