#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 3.61 -0.24 2.12 0.00 -1.26 -5.10 119.74 118.87 2cfx s LYS 2 Ca 0.00 -0.07 -0.03 0.00 0.00 0.00 0.00 55.97 55.86 2cfx s LYS 2 Cb 0.00 -3.01 0.01 0.00 0.00 0.00 0.00 37.83 34.83 2cfx s LYS 2 CO 0.00 0.59 -0.04 -0.51 0.00 0.00 0.00 175.35 175.39 2cfx s LEU 3 N -2.05 3.09 0.00 2.77 1.02 -1.26 -5.10 118.68 117.15 2cfx s LEU 3 Ca 0.32 -0.59 -0.03 0.00 0.02 0.00 0.00 54.13 53.85 2cfx s LEU 3 Cb -0.13 -1.73 0.08 0.00 0.02 0.00 0.00 46.19 44.43 2cfx s LEU 3 CO 0.19 -0.08 0.53 -0.90 0.02 0.00 0.00 176.35 176.11 2cfx n ASP 4 N 4.76 0.37 0.21 2.29 5.68 -1.26 -4.88 116.55 123.72 2cfx n ASP 4 Ca -0.17 -1.39 0.09 0.00 -0.50 0.00 0.00 54.79 52.81 2cfx n ASP 4 Cb 0.49 -0.37 0.33 0.00 -1.14 0.00 0.00 41.12 40.43 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 0.00 -0.03 0.11 5.75 -1.99 -2.25 115.11 116.70 2cfx h GLN 5 Ca -0.17 0.00 -0.17 0.00 -0.15 0.00 0.00 58.65 58.16 2cfx h GLN 5 Cb 0.55 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.09 2cfx h GLN 5 CO 0.15 0.25 -0.73 0.82 -2.65 0.00 0.00 178.83 176.67 2cfx h ILE 6 N 0.00 1.45 0.80 2.39 1.08 -1.98 -2.12 117.51 119.13 2cfx h ILE 6 Ca -0.00 -2.32 -0.04 0.00 -0.39 0.00 0.00 64.86 62.11 2cfx h ILE 6 Cb 0.93 2.24 0.01 0.00 -3.07 0.00 0.00 36.82 36.93 2cfx h ILE 6 CO 0.03 0.68 -0.38 0.44 -0.69 0.00 0.00 178.15 178.22 2cfx h ASP 7 N 0.11 -0.91 0.00 1.72 3.32 -1.82 -1.99 116.42 116.85 2cfx h ASP 7 Ca -0.02 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.06 2cfx h ASP 7 Cb 1.29 0.23 0.00 0.00 0.22 0.00 0.00 39.33 41.07 2cfx h ASP 7 CO 0.11 -0.63 0.00 0.18 -1.72 0.00 0.00 179.24 177.18 2cfx n LEU 8 N -5.54 0.00 -0.05 1.55 4.77 -0.88 -1.54 117.00 115.31 2cfx n LEU 8 Ca -0.15 0.00 -0.02 0.00 -0.03 0.00 0.00 56.01 55.81 2cfx n LEU 8 Cb 0.43 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.41 2cfx n LEU 8 CO 0.39 0.00 -0.87 0.59 -1.33 0.00 0.00 177.39 176.17 2cfx n ASN 9 N -0.78 1.60 -0.01 -1.43 3.02 -0.80 -3.83 115.26 113.03 2cfx n ASN 9 Ca 0.05 0.00 -0.12 0.00 -0.03 0.00 0.00 54.58 54.48 2cfx n ASN 9 Cb 0.02 1.09 -0.07 0.00 -0.61 0.00 0.00 39.78 40.22 2cfx n ASN 9 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 2cfx h ILE 10 N 0.00 1.17 0.00 2.41 2.04 -0.51 -2.43 117.51 120.18 2cfx h ILE 10 Ca -0.26 -0.51 -0.04 0.00 1.00 0.00 0.00 64.86 65.06 2cfx h ILE 10 Cb 1.49 1.35 -0.01 0.00 -0.74 0.00 0.00 36.82 38.92 2cfx h ILE 10 CO 0.01 0.14 -0.18 0.40 0.00 0.00 0.00 178.15 178.53 2cfx h ILE 11 N -0.05 0.66 0.00 -0.67 2.04 -1.54 -0.36 117.51 117.59 2cfx h ILE 11 Ca 0.03 -0.77 0.00 0.00 1.00 0.00 0.00 64.86 65.12 2cfx h ILE 11 Cb 0.21 1.49 0.00 0.00 -0.74 0.00 0.00 36.82 37.77 2cfx h ILE 11 CO -0.00 0.17 -1.87 -0.62 0.00 0.00 0.00 178.15 175.83 2cfx n GLU 12 N -3.65 0.60 0.09 2.37 1.02 -1.24 -2.64 120.64 117.19 2cfx n GLU 12 Ca -0.01 -0.17 -0.13 0.00 -0.02 0.00 0.00 57.16 56.82 2cfx n GLU 12 Cb 0.30 -1.50 -0.08 0.00 -0.02 0.00 0.00 31.44 30.15 2cfx n GLU 12 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 2cfx h GLU 13 N 0.00 0.30 0.00 3.49 4.57 -1.22 -3.29 114.58 118.43 2cfx h GLU 13 Ca 0.00 -0.39 -0.12 0.00 -1.18 0.00 0.00 59.36 57.67 2cfx h GLU 13 Cb 0.92 0.13 -0.02 0.00 -0.16 0.00 0.00 28.75 29.62 2cfx h GLU 13 CO 0.00 1.11 -0.83 -0.07 -1.18 0.00 0.00 179.01 178.04 2cfx h LEU 14 N 0.14 0.00 -1.95 1.64 3.38 -1.20 -2.97 115.31 114.34 2cfx h LEU 14 Ca -0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.88 2cfx h LEU 14 Cb 1.72 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.47 2cfx h LEU 14 CO 0.17 0.48 0.00 0.50 0.09 0.00 0.00 178.44 179.68 2cfx h LYS 15 N 0.00 0.00 0.02 1.13 3.64 -1.63 -3.13 116.57 116.60 2cfx h LYS 15 Ca -0.06 0.00 -0.38 0.00 -1.27 0.00 0.00 60.65 58.94 2cfx h LYS 15 Cb 1.42 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 33.17 2cfx h LYS 15 CO 0.05 0.00 -2.37 1.63 -2.27 0.00 0.00 179.45 176.49 2cfx n LYS 16 N -3.03 0.67 -3.99 1.90 5.02 -1.20 -4.86 118.16 112.67 2cfx n LYS 16 Ca -0.01 0.14 -0.18 0.00 -2.02 0.00 0.00 58.31 56.24 2cfx n LYS 16 Cb 0.21 -1.55 -0.16 0.00 -0.02 0.00 0.00 35.03 33.51 2cfx n LYS 16 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2cfx s ASP 17 N -6.35 0.56 0.00 4.39 -1.08 -1.13 -5.04 116.67 108.03 2cfx s ASP 17 Ca -0.27 -0.05 0.20 0.00 -0.52 0.00 0.00 52.55 51.91 2cfx s ASP 17 Cb 0.08 -0.28 -0.19 0.00 -1.46 0.00 0.00 42.92 41.07 2cfx s ASP 17 CO 0.68 -0.09 0.88 -1.54 0.52 0.00 0.00 175.17 175.62 2cfx n SER 18 N 4.10 1.09 0.05 -0.34 3.41 -1.18 -4.05 113.62 116.70 2cfx n SER 18 Ca -0.26 -1.05 0.12 0.00 -0.26 0.00 0.00 58.87 57.42 2cfx n SER 18 Cb 0.50 0.92 0.26 0.00 -0.26 0.00 0.00 64.21 65.63 2cfx n SER 18 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2cfx n ARG 19 N -1.26 0.21 -1.66 4.33 1.74 -1.26 -4.93 116.66 113.84 2cfx n ARG 19 Ca 0.04 0.08 -0.47 0.00 -0.77 0.00 0.00 57.85 56.74 2cfx n ARG 19 Cb 0.33 -1.66 -0.05 0.00 -1.02 0.00 0.00 32.46 30.07 2cfx n ARG 19 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2cfx n LEU 20 N -1.98 2.85 -4.81 0.55 4.77 -1.26 -4.99 117.00 112.12 2cfx n LEU 20 Ca 0.04 1.08 -0.32 0.00 -0.03 0.00 0.00 56.01 56.78 2cfx n LEU 20 Cb 0.41 -1.38 0.01 0.00 -2.33 0.00 0.00 43.42 40.13 2cfx n LEU 20 CO 0.34 -0.41 0.71 -0.94 -1.33 0.00 0.00 177.39 175.77 2cfx s SER 21 N 1.08 5.88 0.29 -1.43 1.04 -1.26 -4.90 113.70 114.41 2cfx s SER 21 Ca 0.81 1.75 0.01 0.00 0.48 0.00 0.00 55.95 59.00 2cfx s SER 21 Cb -0.73 -2.52 0.53 0.00 0.10 0.00 0.00 66.02 63.39 2cfx s SER 21 CO 0.41 -1.10 1.88 0.24 0.98 0.00 0.00 173.24 175.65 2cfx h MET 22 N 0.39 1.00 -0.62 4.02 0.00 -1.96 -1.96 114.93 115.80 2cfx h MET 22 Ca -0.46 -0.06 0.14 0.00 0.00 0.00 0.00 59.70 59.31 2cfx h MET 22 Cb 1.21 -0.23 -0.03 0.00 0.00 0.00 0.00 31.60 32.55 2cfx h MET 22 CO 0.58 0.66 0.43 0.00 0.00 0.00 0.00 176.91 178.58 2cfx h ARG 23 N 1.03 0.23 -0.02 1.72 -0.00 -1.93 0.39 114.38 115.79 2cfx h ARG 23 Ca 0.44 -0.01 0.00 0.00 -0.50 0.00 0.00 59.98 59.90 2cfx h ARG 23 Cb 0.32 -0.05 0.00 0.00 0.00 0.00 0.00 29.97 30.24 2cfx h ARG 23 CO -0.19 0.15 -0.21 -0.85 0.00 0.00 0.00 179.97 178.87 2cfx n GLU 24 N -4.44 1.59 0.08 0.04 0.00 -0.90 -3.63 120.64 113.39 2cfx n GLU 24 Ca 0.11 -1.19 -0.09 0.00 0.00 0.00 0.00 57.16 55.99 2cfx n GLU 24 Cb 0.52 -1.34 -0.11 0.00 0.00 0.00 0.00 31.44 30.51 2cfx n GLU 24 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.13 178.38 2cfx h LEU 25 N 2.73 0.13 0.38 -1.84 5.85 -0.70 -3.04 115.31 118.82 2cfx h LEU 25 Ca 0.00 -0.14 -0.00 0.00 0.84 0.00 0.00 57.88 58.58 2cfx h LEU 25 Cb 0.69 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.65 2cfx h LEU 25 CO 0.00 1.09 -0.41 1.23 -0.34 0.00 0.00 178.44 180.01 2cfx h GLY 26 N 2.50 -0.95 1.98 3.75 0.00 -0.38 -2.77 103.07 107.20 2cfx h GLY 26 Ca -0.05 0.47 0.00 0.00 0.00 0.00 0.00 47.33 47.75 2cfx h GLY 26 CO 0.15 -0.32 0.01 0.07 0.00 0.00 0.00 176.54 176.45 2cfx h ARG 27 N -0.81 0.00 -0.02 4.80 -0.00 -1.65 -1.38 114.38 115.32 2cfx h ARG 27 Ca -0.03 0.00 -0.02 0.00 -0.00 0.00 0.00 59.98 59.93 2cfx h ARG 27 Cb 0.73 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.70 2cfx h ARG 27 CO -0.08 0.00 -0.08 1.57 -0.00 0.00 0.00 179.97 181.38 2cfx h LYS 28 N 0.00 0.09 -0.13 0.08 2.10 -1.37 -3.33 116.57 114.01 2cfx h LYS 28 Ca 0.00 -0.07 0.00 0.00 -2.00 0.00 0.00 60.65 58.58 2cfx h LYS 28 Cb 0.02 0.01 0.00 0.00 -0.90 0.00 0.00 32.23 31.37 2cfx h LYS 28 CO -0.00 0.73 0.00 0.44 -2.00 0.00 0.00 179.45 178.62 2cfx n ILE 29 N -4.68 0.30 -2.90 0.07 -5.35 -1.17 -5.03 119.36 100.60 2cfx n ILE 29 Ca -0.09 -0.65 -0.09 0.00 -0.27 0.00 0.00 62.75 61.65 2cfx n ILE 29 Cb 0.37 1.03 0.04 0.00 -1.74 0.00 0.00 39.64 39.34 2cfx n ILE 29 CO 0.00 0.00 0.00 2.29 -1.76 0.00 0.00 176.55 177.08 2cfx n LYS 30 N 0.67 -1.62 -4.13 6.28 -0.00 -0.56 -5.09 118.16 113.71 2cfx n LYS 30 Ca 0.09 0.91 -0.13 0.00 -0.00 0.00 0.00 58.31 59.17 2cfx n LYS 30 Cb 0.35 -5.07 -0.11 0.00 -0.00 0.00 0.00 35.03 30.20 2cfx n LYS 30 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 2cfx s LEU 31 N -4.56 2.35 0.29 -5.58 1.43 -0.93 -5.05 118.68 106.62 2cfx s LEU 31 Ca 0.26 -0.72 -0.30 0.00 -1.03 0.00 0.00 54.13 52.34 2cfx s LEU 31 Cb -0.03 -0.22 -0.11 0.00 0.03 0.00 0.00 46.19 45.85 2cfx s LEU 31 CO 0.61 -0.26 1.56 -0.94 0.23 0.00 0.00 176.35 177.56 2cfx s SER 32 N -2.13 6.42 0.00 2.29 1.04 -1.26 -4.41 113.70 115.64 2cfx s SER 32 Ca -0.00 2.90 0.00 0.00 0.48 0.00 0.00 55.95 59.33 2cfx s SER 32 Cb -0.05 -2.63 0.00 0.00 0.10 0.00 0.00 66.02 63.44 2cfx s SER 32 CO -0.01 -0.87 0.00 -2.65 0.98 0.00 0.00 173.24 170.69 2cfx n PRO 33 N 2.13 0.00 0.00 4.02 -0.02 -1.26 -1.51 135.00 138.36 2cfx n PRO 33 Ca 0.08 0.00 0.01 0.00 -2.02 0.00 0.00 63.50 61.57 2cfx n PRO 33 Cb 0.38 -0.12 0.07 0.00 -0.02 0.00 0.00 33.50 33.80 2cfx n PRO 33 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2cfx n PRO 34 N 0.00 0.06 0.01 0.52 -0.02 -1.26 -1.80 135.00 132.51 2cfx n PRO 34 Ca 0.00 0.12 -0.10 0.00 -2.02 0.00 0.00 63.50 61.50 2cfx n PRO 34 Cb 0.00 -1.50 -0.07 0.00 -0.02 0.00 0.00 33.50 31.91 2cfx n PRO 34 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2cfx h SER 35 N 0.00 -0.11 -0.87 2.55 0.87 -1.72 -3.22 113.55 111.05 2cfx h SER 35 Ca 0.00 -0.43 0.15 0.00 -1.23 0.00 0.00 61.79 60.28 2cfx h SER 35 Cb 0.01 0.03 -0.16 0.00 -0.44 0.00 0.00 62.40 61.84 2cfx h SER 35 CO 0.00 0.53 -0.31 0.58 -0.53 0.00 0.00 176.83 177.10 2cfx h VAL 36 N -0.92 0.08 0.00 2.23 2.07 -0.46 -2.67 116.25 116.58 2cfx h VAL 36 Ca -0.01 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.51 2cfx h VAL 36 Cb 0.54 0.08 0.00 0.00 -1.52 0.00 0.00 31.29 30.38 2cfx h VAL 36 CO 0.02 0.00 0.00 0.71 0.02 0.00 0.00 177.57 178.32 2cfx h THR 37 N -0.03 0.00 0.04 2.57 1.35 -1.50 -1.12 112.91 114.22 2cfx h THR 37 Ca 0.36 -0.25 -0.25 0.00 -0.55 0.00 0.00 66.41 65.71 2cfx h THR 37 Cb 0.61 1.02 -0.03 0.00 -1.73 0.00 0.00 68.15 68.03 2cfx h THR 37 CO -0.90 0.00 -1.28 -0.08 -0.25 0.00 0.00 175.52 173.01 2cfx h GLU 38 N 0.00 0.08 0.12 4.72 4.57 -1.48 0.12 114.58 122.71 2cfx h GLU 38 Ca 0.00 -0.14 -0.00 0.00 -1.18 0.00 0.00 59.36 58.04 2cfx h GLU 38 Cb 0.34 0.05 -0.00 0.00 -0.16 0.00 0.00 28.75 28.98 2cfx h GLU 38 CO 0.00 0.94 -0.08 0.00 -1.18 0.00 0.00 179.01 178.69 2cfx h ARG 39 N 0.02 -0.20 -0.11 1.92 3.08 -1.04 -2.54 114.38 115.51 2cfx h ARG 39 Ca -0.13 0.01 -0.09 0.00 0.07 0.00 0.00 59.98 59.85 2cfx h ARG 39 Cb 1.89 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 31.97 2cfx h ARG 39 CO 0.13 -0.13 -0.33 0.28 -1.07 0.00 0.00 179.97 178.86 2cfx h VAL 40 N -0.20 1.27 -0.39 2.04 2.07 -1.37 -1.29 116.25 118.38 2cfx h VAL 40 Ca -0.01 -1.29 -0.04 0.00 0.82 0.00 0.00 66.70 66.18 2cfx h VAL 40 Cb 0.17 1.55 -0.02 0.00 -1.52 0.00 0.00 31.29 31.48 2cfx h VAL 40 CO 0.01 0.39 0.09 0.03 0.02 0.00 0.00 177.57 178.10 2cfx h ARG 41 N 0.19 0.64 0.00 1.57 -0.00 -0.65 -2.52 114.38 113.61 2cfx h ARG 41 Ca 0.03 -0.16 -0.15 0.00 -0.50 0.00 0.00 59.98 59.19 2cfx h ARG 41 Cb 0.68 -0.08 -0.02 0.00 0.00 0.00 0.00 29.97 30.54 2cfx h ARG 41 CO 0.05 0.67 -0.86 -0.56 0.00 0.00 0.00 179.97 179.27 2cfx h GLN 42 N 0.50 0.00 -0.35 0.04 3.07 -1.29 -2.57 115.11 114.51 2cfx h GLN 42 Ca 0.12 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 58.86 2cfx h GLN 42 Cb 0.33 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 27.87 2cfx h GLN 42 CO 0.00 0.59 0.20 -0.07 0.09 0.00 0.00 178.83 179.64 2cfx h LEU 43 N 0.00 0.44 0.00 0.06 3.38 -1.19 -1.77 115.31 116.23 2cfx h LEU 43 Ca -0.05 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.84 2cfx h LEU 43 Cb 1.56 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 42.19 2cfx h LEU 43 CO 0.08 0.40 -0.38 -1.84 0.09 0.00 0.00 178.44 176.79 2cfx n GLU 44 N -4.77 0.28 0.09 1.13 0.28 -0.96 -1.84 120.64 114.84 2cfx n GLU 44 Ca -0.01 0.14 -0.21 0.00 -0.16 0.00 0.00 57.16 56.92 2cfx n GLU 44 Cb 0.07 -1.73 -0.15 0.00 1.43 0.00 0.00 31.44 31.07 2cfx n GLU 44 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 2cfx h SER 45 N 0.00 0.59 0.35 -1.84 4.64 -1.43 -3.20 113.55 112.66 2cfx h SER 45 Ca 0.00 -0.78 0.00 0.00 -0.47 0.00 0.00 61.79 60.54 2cfx h SER 45 Cb 0.74 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 62.64 2cfx h SER 45 CO 0.00 1.64 0.00 0.49 -0.87 0.00 0.00 176.83 178.09 2cfx n PHE 46 N -3.57 0.00 -2.43 4.77 3.01 -0.67 -4.92 117.46 113.65 2cfx n PHE 46 Ca -0.19 0.00 -0.10 0.00 1.01 0.00 0.00 57.45 58.16 2cfx n PHE 46 Cb 1.07 -0.25 0.01 0.00 -0.01 0.00 0.00 39.48 40.29 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 0.45 0.05 0.10 1.37 0.00 -1.16 -4.95 105.19 101.05 2cfx n GLY 47 Ca 0.10 -0.40 -0.20 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.37 1.06 -3.44 -0.61 2.04 -1.64 -3.40 117.51 111.14 2cfx h ILE 48 Ca -0.24 -2.23 -0.57 0.00 1.00 0.00 0.00 64.86 62.82 2cfx h ILE 48 Cb 1.17 2.47 -0.07 0.00 -0.74 0.00 0.00 36.82 39.66 2cfx h ILE 48 CO 0.27 0.41 0.88 -0.63 0.00 0.00 0.00 178.15 179.09 2cfx s ILE 49 N -2.36 4.38 -0.14 -0.67 1.01 -1.13 -4.94 121.20 117.36 2cfx s ILE 49 Ca -0.26 1.53 0.13 0.00 0.00 0.00 0.00 60.65 62.05 2cfx s ILE 49 Cb 0.04 -4.47 -0.24 0.00 0.01 0.00 0.00 42.46 37.81 2cfx s ILE 49 CO 0.63 -0.67 0.28 0.29 0.00 0.00 0.00 174.94 175.47 2cfx n LYS 50 N 7.25 0.67 -3.58 2.79 5.02 -1.26 -4.54 118.16 124.50 2cfx n LYS 50 Ca 0.12 0.14 -0.14 0.00 -2.02 0.00 0.00 58.31 56.41 2cfx n LYS 50 Cb 0.48 -1.64 -0.06 0.00 -0.02 0.00 0.00 35.03 33.79 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 -2.54 0.85 -0.20 1.97 0.74 -1.26 -5.11 119.66 114.11 2cfx s GLN 51 Ca -0.11 0.55 -0.14 0.00 0.05 0.00 0.00 55.36 55.71 2cfx s GLN 51 Cb 0.07 0.40 -0.04 0.00 1.10 0.00 0.00 33.01 34.54 2cfx s GLN 51 CO 0.80 -0.19 0.32 0.71 -0.55 0.00 0.00 175.29 176.38 2cfx s TYR 52 N -0.43 3.38 0.16 1.67 1.51 -1.26 -5.04 117.35 117.34 2cfx s TYR 52 Ca -0.04 0.53 0.02 0.00 -1.01 0.00 0.00 57.07 56.57 2cfx s TYR 52 Cb -0.03 -2.43 -0.01 0.00 -0.11 0.00 0.00 41.96 39.39 2cfx s TYR 52 CO 0.04 0.07 0.17 -2.37 -1.11 0.00 0.00 175.55 172.35 2cfx n THR 53 N 4.13 0.00 -3.90 -0.71 5.66 -1.26 -5.17 114.28 113.03 2cfx n THR 53 Ca -0.11 -1.00 -0.15 0.00 -3.05 0.00 0.00 64.05 59.74 2cfx n THR 53 Cb 0.51 0.54 -0.15 0.00 -1.55 0.00 0.00 70.33 69.68 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 1.55 -0.07 1.09 2.96 -1.26 -4.91 118.68 118.03 2cfx s LEU 54 Ca 0.16 -0.01 0.02 0.00 -0.22 0.00 0.00 54.13 54.08 2cfx s LEU 54 Cb 0.00 -0.12 -0.03 0.00 0.50 0.00 0.00 46.19 46.55 2cfx s LEU 54 CO 0.12 -0.05 -0.11 -0.70 -1.32 0.00 0.00 176.35 174.28 2cfx s GLU 55 N 0.53 2.72 0.02 1.98 2.12 -1.26 -5.10 118.70 119.71 2cfx s GLU 55 Ca -0.05 -0.64 0.02 0.00 0.36 0.00 0.00 54.97 54.66 2cfx s GLU 55 Cb -0.07 -2.50 -0.02 0.00 0.26 0.00 0.00 34.13 31.81 2cfx s GLU 55 CO -0.01 0.58 -0.06 0.08 -0.54 0.00 0.00 175.26 175.31 2cfx s VAL 56 N -0.61 0.40 -0.54 3.70 1.01 -1.26 -5.10 120.40 118.00 2cfx s VAL 56 Ca 0.09 -0.72 -0.19 0.00 0.00 0.00 0.00 61.98 61.16 2cfx s VAL 56 Cb -0.11 -0.43 0.08 0.00 0.00 0.00 0.00 36.38 35.91 2cfx s VAL 56 CO 0.01 -0.22 0.65 -0.62 0.00 0.00 0.00 175.10 174.92 2cfx s ASP 57 N -1.01 6.20 0.36 3.32 -1.08 -1.26 -4.95 116.67 118.26 2cfx s ASP 57 Ca -0.07 -1.13 0.12 0.00 -0.52 0.00 0.00 52.55 50.95 2cfx s ASP 57 Cb -0.07 -2.29 0.91 0.00 -1.46 0.00 0.00 42.92 40.01 2cfx s ASP 57 CO -0.00 -0.97 1.82 1.56 0.52 0.00 0.00 175.17 178.10 2cfx h GLN 58 N 9.06 0.58 -0.42 4.34 1.08 -1.97 -1.38 115.11 126.40 2cfx h GLN 58 Ca -0.28 -0.03 -0.08 0.00 -1.45 0.00 0.00 58.65 56.81 2cfx h GLN 58 Cb 1.09 -0.13 -0.02 0.00 -0.05 0.00 0.00 27.48 28.37 2cfx h GLN 58 CO 1.01 0.38 -0.05 -0.22 -0.95 0.00 0.00 178.83 179.01 2cfx h LYS 59 N 0.59 0.72 0.00 1.46 3.64 -1.89 -0.36 116.57 120.72 2cfx h LYS 59 Ca 0.52 -0.20 -0.10 0.00 -1.27 0.00 0.00 60.65 59.60 2cfx h LYS 59 Cb 1.03 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.76 2cfx h LYS 59 CO -0.27 0.76 -0.49 0.87 -2.27 0.00 0.00 179.45 178.04 2cfx h LYS 60 N 0.66 0.00 -0.35 1.90 1.57 -1.58 -2.01 116.57 116.77 2cfx h LYS 60 Ca 0.13 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 2cfx h LYS 60 Cb 0.48 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.79 2cfx h LYS 60 CO 0.02 0.49 0.00 1.28 -0.57 0.00 0.00 179.45 180.68 2cfx n LEU 61 N -3.48 0.35 0.00 2.94 4.77 -1.02 -4.90 117.00 115.67 2cfx n LEU 61 Ca 0.00 -0.18 0.00 0.00 -0.03 0.00 0.00 56.01 55.81 2cfx n LEU 61 Cb 0.62 -0.18 0.00 0.00 -2.33 0.00 0.00 43.42 41.53 2cfx n LEU 61 CO 0.39 0.09 0.00 0.61 -1.33 0.00 0.00 177.39 177.15 2cfx n GLY 62 N 0.21 0.84 2.84 -0.72 0.00 -0.75 -4.99 105.19 102.63 2cfx n GLY 62 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 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 4.12 0.00 0.99 4.77 -0.18 -4.37 117.00 122.33 2cfx n LEU 63 Ca 0.00 -5.26 0.14 0.00 -0.03 0.00 0.00 56.01 50.86 2cfx n LEU 63 Cb 0.00 -0.92 0.68 0.00 -2.33 0.00 0.00 43.42 40.85 2cfx n LEU 63 CO 0.00 1.77 0.98 -0.81 -1.33 0.00 0.00 177.39 178.00 2cfx n PRO 64 N 1.66 0.24 -4.43 3.23 -0.04 -1.11 -3.37 135.00 131.17 2cfx n PRO 64 Ca 0.24 0.01 -0.34 0.00 -0.04 0.00 0.00 63.50 63.38 2cfx n PRO 64 Cb 0.37 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.21 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 -2.76 3.87 0.09 0.52 1.01 -0.80 -4.88 120.40 117.45 2cfx s VAL 65 Ca 0.22 -0.37 0.07 0.00 0.00 0.00 0.00 61.98 61.89 2cfx s VAL 65 Cb 0.19 -2.68 -0.03 0.00 0.00 0.00 0.00 36.38 33.86 2cfx s VAL 65 CO 0.48 0.51 -0.17 -0.44 0.00 0.00 0.00 175.10 175.47 2cfx s SER 66 N 0.22 2.09 -0.01 3.32 0.01 -1.26 0.44 113.70 118.51 2cfx s SER 66 Ca -0.03 -0.67 -0.01 0.00 1.31 0.00 0.00 55.95 56.55 2cfx s SER 66 Cb -0.14 -0.09 -0.00 0.00 0.21 0.00 0.00 66.02 66.00 2cfx s SER 66 CO 0.03 -0.03 0.03 0.00 0.41 0.00 0.00 173.24 173.68 2cfx s ILE 68 N -0.37 4.93 -0.09 0.00 -1.09 0.15 -0.90 121.20 123.83 2cfx s ILE 68 Ca -0.04 1.24 0.01 0.00 -2.23 0.00 0.00 60.65 59.63 2cfx s ILE 68 Cb -0.03 -3.93 0.02 0.00 -1.58 0.00 0.00 42.46 36.94 2cfx s ILE 68 CO -0.00 0.40 -0.12 -0.69 -1.23 0.00 0.00 174.94 173.31 2cfx s VAL 69 N -0.09 1.19 -0.11 2.92 1.01 0.20 -0.20 120.40 125.32 2cfx s VAL 69 Ca 0.31 -0.47 -0.23 0.00 0.00 0.00 0.00 61.98 61.59 2cfx s VAL 69 Cb -0.18 -1.12 -0.03 0.00 0.00 0.00 0.00 36.38 35.05 2cfx s VAL 69 CO 0.17 0.38 0.68 -1.61 0.00 0.00 0.00 175.10 174.72 2cfx s GLU 70 N 0.99 4.36 -0.05 2.72 2.02 -0.30 -0.84 118.70 127.60 2cfx s GLU 70 Ca -0.08 0.80 0.04 0.00 0.02 0.00 0.00 54.97 55.75 2cfx s GLU 70 Cb -0.15 -3.49 -0.03 0.00 0.10 0.00 0.00 34.13 30.57 2cfx s GLU 70 CO -0.00 -0.04 -0.15 0.00 0.02 0.00 0.00 175.26 175.08 2cfx s ALA 71 N 1.19 2.62 -0.19 5.21 0.00 0.84 -1.41 121.76 130.02 2cfx s ALA 71 Ca 0.35 -0.99 0.01 0.00 0.00 0.00 0.00 51.96 51.33 2cfx s ALA 71 Cb -0.17 -0.94 0.04 0.00 0.00 0.00 0.00 23.12 22.05 2cfx s ALA 71 CO 0.15 0.55 -0.12 -0.08 0.00 0.00 0.00 175.76 176.25 2cfx s THR 72 N -0.70 1.72 0.45 0.00 -1.32 0.90 -0.29 115.64 116.41 2cfx s THR 72 Ca 0.11 -0.97 -0.24 0.00 -1.21 0.00 0.00 61.69 59.37 2cfx s THR 72 Cb -0.11 -1.73 -0.09 0.00 -1.51 0.00 0.00 72.50 69.07 2cfx s THR 72 CO 0.00 0.26 1.25 0.52 -2.21 0.00 0.00 174.62 174.44 2cfx n VAL 73 N 4.67 2.80 -3.77 5.08 0.31 -1.26 -1.12 118.33 125.05 2cfx n VAL 73 Ca -0.16 -0.50 -0.31 0.00 -0.01 0.00 0.00 64.34 63.36 2cfx n VAL 73 Cb 0.47 -1.53 -0.04 0.00 -0.91 0.00 0.00 33.84 31.83 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 -2.33 3.55 -1.95 5.55 1.02 0.16 -4.52 119.74 121.22 2cfx s LYS 74 Ca 0.63 -0.22 0.00 0.00 0.02 0.00 0.00 55.97 56.41 2cfx s LYS 74 Cb -0.49 -2.93 0.00 0.00 -0.52 0.00 0.00 37.83 33.89 2cfx s LYS 74 CO 0.56 0.53 0.00 0.09 -0.92 0.00 0.00 175.35 175.61 2cfx n ASN 75 N 0.20 -5.34 -1.81 2.83 3.02 -1.26 -2.15 115.26 110.76 2cfx n ASN 75 Ca -0.04 0.37 -0.17 0.00 -0.03 0.00 0.00 54.58 54.72 2cfx n ASN 75 Cb 0.51 -4.49 -0.05 0.00 -0.61 0.00 0.00 39.78 35.14 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 0.70 -0.41 -3.26 5.41 0.00 -1.26 -4.88 120.51 116.81 2cfx n ALA 76 Ca -0.20 0.23 -0.38 0.00 0.00 0.00 0.00 53.44 53.09 2cfx n ALA 76 Cb 0.64 -1.78 -0.03 0.00 0.00 0.00 0.00 19.45 18.28 2cfx n ALA 76 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2cfx n ASP 77 N -1.27 5.29 -0.31 0.00 -0.08 -0.91 -4.85 116.55 114.42 2cfx n ASP 77 Ca -0.18 -3.33 -0.02 0.00 -1.51 0.00 0.00 54.79 49.76 2cfx n ASP 77 Cb 0.59 -1.10 0.15 0.00 2.34 0.00 0.00 41.12 43.10 2cfx n ASP 77 CO 0.00 0.00 0.00 1.88 0.12 0.00 0.00 177.20 179.20 2cfx h TYR 78 N 5.39 1.15 0.11 -0.67 -1.99 -1.90 -2.40 116.97 116.67 2cfx h TYR 78 Ca 0.19 0.01 -0.01 0.00 2.00 0.00 0.00 58.73 60.92 2cfx h TYR 78 Cb 0.69 -0.38 0.00 0.00 2.00 0.00 0.00 36.73 39.04 2cfx h TYR 78 CO 0.86 0.75 -0.06 0.93 -0.00 0.00 0.00 178.16 180.64 2cfx h GLU 79 N 1.22 -0.15 -0.58 4.88 4.39 -1.99 -0.96 114.58 121.38 2cfx h GLU 79 Ca 0.32 0.01 -0.03 0.00 0.34 0.00 0.00 59.36 60.00 2cfx h GLU 79 Cb -0.09 0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 28.57 2cfx h GLU 79 CO -0.06 -0.09 0.22 -0.09 -1.16 0.00 0.00 179.01 177.82 2cfx h ARG 80 N -0.16 0.85 -0.09 2.33 2.43 -1.95 -0.31 114.38 117.47 2cfx h ARG 80 Ca -0.02 -0.13 -0.00 0.00 -0.81 0.00 0.00 59.98 59.02 2cfx h ARG 80 Cb 0.12 -0.15 -0.00 0.00 -0.42 0.00 0.00 29.97 29.52 2cfx h ARG 80 CO 0.03 0.70 0.05 0.35 -1.51 0.00 0.00 179.97 179.59 2cfx h PHE 81 N 0.83 0.13 -0.05 2.20 3.57 -1.26 -1.99 116.94 120.37 2cfx h PHE 81 Ca 0.20 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.69 2cfx h PHE 81 Cb 0.18 -0.04 -0.00 0.00 2.79 0.00 0.00 35.95 38.88 2cfx h PHE 81 CO 0.01 0.16 0.03 -0.22 -2.23 0.00 0.00 178.31 176.06 2cfx h LYS 82 N 0.05 0.07 -0.28 1.11 3.64 -0.90 0.10 116.57 120.36 2cfx h LYS 82 Ca 0.03 -0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.46 2cfx h LYS 82 Cb 0.08 -0.01 -0.08 0.00 -0.41 0.00 0.00 32.23 31.81 2cfx h LYS 82 CO -0.01 0.13 -0.40 0.77 -2.27 0.00 0.00 179.45 177.67 2cfx h SER 83 N -0.01 -1.31 -0.67 4.20 0.02 -1.09 -1.40 113.55 113.28 2cfx h SER 83 Ca 0.02 0.19 0.09 0.00 -0.84 0.00 0.00 61.79 61.25 2cfx h SER 83 Cb 0.08 0.56 -0.11 0.00 0.14 0.00 0.00 62.40 63.08 2cfx h SER 83 CO -0.00 -0.38 -0.49 0.22 -1.14 0.00 0.00 176.83 175.03 2cfx h TYR 84 N -0.38 -1.49 0.00 3.45 3.20 -1.23 -3.02 116.97 117.49 2cfx h TYR 84 Ca 0.12 0.10 -0.05 0.00 3.14 0.00 0.00 58.73 62.03 2cfx h TYR 84 Cb 0.59 0.74 -0.01 0.00 1.54 0.00 0.00 36.73 39.60 2cfx h TYR 84 CO -0.54 -0.43 -0.24 0.82 -1.64 0.00 0.00 178.16 176.13 2cfx h ILE 85 N -0.19 1.00 0.00 1.81 1.08 -0.71 -2.56 117.51 117.94 2cfx h ILE 85 Ca 0.17 -0.87 0.00 0.00 -0.39 0.00 0.00 64.86 63.76 2cfx h ILE 85 Cb 0.54 1.49 0.00 0.00 -3.07 0.00 0.00 36.82 35.79 2cfx h ILE 85 CO -0.75 0.24 0.00 0.00 -0.69 0.00 0.00 178.15 176.94 2cfx n GLN 86 N -4.01 0.15 -0.24 2.37 6.02 -0.55 -2.06 117.38 119.07 2cfx n GLN 86 Ca -0.02 0.02 0.11 0.00 -0.01 0.00 0.00 57.00 57.11 2cfx n GLN 86 Cb 0.31 -1.50 0.26 0.00 1.02 0.00 0.00 30.24 30.34 2cfx n GLN 86 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 2cfx n THR 87 N -1.42 0.64 -3.99 5.09 -2.24 -0.96 -4.99 114.28 106.41 2cfx n THR 87 Ca 0.09 -0.78 -0.35 0.00 -2.27 0.00 0.00 64.05 60.74 2cfx n THR 87 Cb 0.29 0.71 -0.06 0.00 -2.10 0.00 0.00 70.33 69.16 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 -1.29 4.19 0.42 3.22 1.43 -0.87 -5.10 118.68 120.67 2cfx s LEU 88 Ca 0.41 0.34 -0.21 0.00 -1.03 0.00 0.00 54.13 53.65 2cfx s LEU 88 Cb 0.23 -2.18 -0.11 0.00 0.03 0.00 0.00 46.19 44.15 2cfx s LEU 88 CO 0.31 0.35 0.93 -2.16 0.23 0.00 0.00 176.35 176.01 2cfx s PRO 89 N -1.32 4.22 -0.97 1.29 0.04 -1.26 -4.41 135.00 132.59 2cfx s PRO 89 Ca 0.19 1.09 -0.01 0.00 0.04 0.00 0.00 61.00 62.31 2cfx s PRO 89 Cb -0.12 -2.21 0.00 0.00 0.04 0.00 0.00 34.50 32.21 2cfx s PRO 89 CO 0.09 -0.01 0.10 0.09 0.04 0.00 0.00 177.00 177.31 2cfx n ASN 90 N -0.59 -3.88 -4.27 6.66 3.02 -1.26 -4.87 115.26 110.07 2cfx n ASN 90 Ca 0.07 -0.06 -0.44 0.00 -0.03 0.00 0.00 54.58 54.12 2cfx n ASN 90 Cb 0.54 -3.00 -0.06 0.00 -0.61 0.00 0.00 39.78 36.65 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 -2.68 4.91 0.27 2.41 -1.09 -1.26 -0.87 121.20 122.90 2cfx s ILE 91 Ca 0.05 -1.86 0.01 0.00 -2.23 0.00 0.00 60.65 56.62 2cfx s ILE 91 Cb -0.02 -4.15 0.09 0.00 -1.58 0.00 0.00 42.46 36.80 2cfx s ILE 91 CO 0.06 -0.87 1.75 -0.08 -1.23 0.00 0.00 174.94 174.57 2cfx h GLU 92 N 8.44 0.62 -2.93 2.79 4.81 -1.45 -3.46 114.58 123.40 2cfx h GLU 92 Ca -0.18 -0.20 -0.05 0.00 -0.13 0.00 0.00 59.36 58.81 2cfx h GLU 92 Cb 1.07 -0.06 -0.15 0.00 0.63 0.00 0.00 28.75 30.25 2cfx h GLU 92 CO 0.91 0.73 0.05 -0.59 -0.73 0.00 0.00 179.01 179.39 2cfx s PHE 93 N -4.74 -0.40 -0.21 0.92 -0.12 -1.25 -4.97 117.98 107.20 2cfx s PHE 93 Ca -0.08 0.34 -0.04 0.00 -0.05 0.00 0.00 56.93 57.09 2cfx s PHE 93 Cb 0.14 0.37 0.08 0.00 -0.63 0.00 0.00 43.02 42.98 2cfx s PHE 93 CO 0.80 -0.69 0.16 0.00 -0.05 0.00 0.00 175.22 175.43 2cfx s TYR 95 N 2.21 3.47 -0.12 0.00 1.51 0.22 -4.96 117.35 119.69 2cfx s TYR 95 Ca 0.05 0.38 -0.26 0.00 -1.01 0.00 0.00 57.07 56.24 2cfx s TYR 95 Cb -0.16 -1.85 -0.02 0.00 -0.11 0.00 0.00 41.96 39.82 2cfx s TYR 95 CO -0.16 0.65 0.83 0.50 -1.11 0.00 0.00 175.55 176.25 2cfx s ARG 96 N -1.38 4.37 0.16 -0.62 6.06 -1.26 -1.62 118.95 124.65 2cfx s ARG 96 Ca 0.19 1.05 0.09 0.00 -2.50 0.00 0.00 55.73 54.56 2cfx s ARG 96 Cb -0.12 -3.53 -0.04 0.00 0.06 0.00 0.00 34.95 31.32 2cfx s ARG 96 CO 0.09 -0.20 -0.19 0.96 -2.50 0.00 0.00 175.30 173.46 2cfx s ILE 97 N 1.69 1.86 -0.39 4.11 -4.36 0.32 -4.97 121.20 119.46 2cfx s ILE 97 Ca 0.40 -1.89 -0.18 0.00 -0.26 0.00 0.00 60.65 58.72 2cfx s ILE 97 Cb -0.17 -1.84 0.01 0.00 1.25 0.00 0.00 42.46 41.70 2cfx s ILE 97 CO 0.16 -0.27 0.47 0.00 0.24 0.00 0.00 174.94 175.53 2cfx s ALA 98 N -1.93 3.44 0.00 2.27 0.00 -1.26 -4.61 121.76 119.67 2cfx s ALA 98 Ca 0.15 -1.31 0.00 0.00 0.00 0.00 0.00 51.96 50.80 2cfx s ALA 98 Cb -0.06 -3.04 0.00 0.00 0.00 0.00 0.00 23.12 20.02 2cfx s ALA 98 CO 0.07 -1.45 0.00 0.41 0.00 0.00 0.00 175.76 174.79 2cfx n GLY 99 N 5.01 -0.68 0.13 0.00 0.00 -1.26 -4.99 105.19 103.40 2cfx n GLY 99 Ca -0.06 -0.01 -0.22 0.00 0.00 0.00 0.00 46.02 45.73 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 0.36 -2.25 4.61 0.00 -2.01 -3.47 119.26 116.50 2cfx h ALA 100 Ca 0.00 -1.32 -0.46 0.00 0.00 0.00 0.00 54.91 53.13 2cfx h ALA 100 Cb 0.00 0.67 0.11 0.00 0.00 0.00 0.00 17.79 18.57 2cfx h ALA 100 CO 0.00 1.17 0.33 0.00 0.00 0.00 0.00 179.25 180.75 2cfx s ALA 101 N -2.53 2.78 -0.25 0.00 0.00 -1.26 -4.99 121.76 115.50 2cfx s ALA 101 Ca -0.22 -0.98 0.02 0.00 0.00 0.00 0.00 51.96 50.77 2cfx s ALA 101 Cb 0.06 -2.72 -0.17 0.00 0.00 0.00 0.00 23.12 20.29 2cfx s ALA 101 CO 0.76 -1.76 -0.21 0.00 0.00 0.00 0.00 175.76 174.55 2cfx s TYR 103 N -2.52 0.20 -0.12 0.00 1.51 -0.67 -0.52 117.35 115.22 2cfx s TYR 103 Ca -0.35 -0.41 0.02 0.00 -1.01 0.00 0.00 57.07 55.32 2cfx s TYR 103 Cb 0.09 -0.15 -0.01 0.00 -0.11 0.00 0.00 41.96 41.78 2cfx s TYR 103 CO 0.61 -0.20 -0.18 1.41 -1.11 0.00 0.00 175.55 176.07 2cfx s MET 104 N -1.37 3.21 0.12 -0.62 1.75 -0.64 -0.11 119.30 121.63 2cfx s MET 104 Ca -0.15 -0.78 0.02 0.00 -1.25 0.00 0.00 55.69 53.53 2cfx s MET 104 Cb -0.09 -2.49 -0.04 0.00 2.84 0.00 0.00 34.83 35.04 2cfx s MET 104 CO -0.00 0.15 -0.05 -0.48 -0.65 0.00 0.00 175.02 173.98 2cfx s LEU 105 N 0.46 2.42 -0.12 4.11 0.05 -0.02 -0.61 118.68 124.96 2cfx s LEU 105 Ca -0.13 -1.05 0.03 0.00 0.05 0.00 0.00 54.13 53.04 2cfx s LEU 105 Cb -0.17 -0.10 0.01 0.00 -2.05 0.00 0.00 46.19 43.88 2cfx s LEU 105 CO 0.06 -0.47 -0.22 -0.75 -0.55 0.00 0.00 176.35 174.42 2cfx s LYS 106 N -3.84 2.88 -0.01 1.48 2.20 -0.92 0.61 119.74 122.14 2cfx s LYS 106 Ca 0.15 -0.81 0.05 0.00 -0.36 0.00 0.00 55.97 55.00 2cfx s LYS 106 Cb 0.05 -2.27 -0.03 0.00 -1.51 0.00 0.00 37.83 34.07 2cfx s LYS 106 CO -0.02 0.06 -0.17 -1.50 -0.36 0.00 0.00 175.35 173.36 2cfx s ILE 107 N 0.64 2.86 -0.11 5.43 2.07 -0.08 -1.04 121.20 130.97 2cfx s ILE 107 Ca -0.12 -0.95 -0.02 0.00 -1.41 0.00 0.00 60.65 58.14 2cfx s ILE 107 Cb -0.16 -2.14 -0.03 0.00 0.13 0.00 0.00 42.46 40.25 2cfx s ILE 107 CO 0.03 0.48 -0.01 0.20 -1.91 0.00 0.00 174.94 173.73 2cfx s ASN 108 N -1.02 5.08 0.04 4.50 0.02 -0.05 -1.91 114.94 121.61 2cfx s ASN 108 Ca 0.13 0.06 -0.10 0.00 -1.02 0.00 0.00 52.86 51.92 2cfx s ASN 108 Cb -0.10 -1.53 0.01 0.00 0.02 0.00 0.00 41.25 39.64 2cfx s ASN 108 CO 0.02 0.32 0.22 0.00 0.02 0.00 0.00 177.10 177.68 2cfx s ALA 109 N -0.51 -0.42 0.30 0.60 0.00 0.17 -4.81 121.76 117.09 2cfx s ALA 109 Ca 0.09 -0.23 0.01 0.00 0.00 0.00 0.00 51.96 51.83 2cfx s ALA 109 Cb -0.12 0.29 0.49 0.00 0.00 0.00 0.00 23.12 23.78 2cfx s ALA 109 CO 0.02 -0.37 1.85 0.93 0.00 0.00 0.00 175.76 178.19 2cfx h GLU 110 N 3.40 0.71 -2.95 0.00 3.07 -1.85 -2.08 114.58 114.88 2cfx h GLU 110 Ca -0.32 -0.14 0.04 0.00 -0.50 0.00 0.00 59.36 58.44 2cfx h GLU 110 Cb 1.19 -0.11 -0.03 0.00 -0.84 0.00 0.00 28.75 28.97 2cfx h GLU 110 CO 0.48 0.66 0.27 -1.54 -1.40 0.00 0.00 179.01 177.49 2cfx s SER 111 N -6.64 -0.14 0.24 1.42 1.04 -1.26 -4.35 113.70 104.01 2cfx s SER 111 Ca -0.09 -0.82 -0.05 0.00 0.48 0.00 0.00 55.95 55.47 2cfx s SER 111 Cb 0.16 0.76 0.36 0.00 0.10 0.00 0.00 66.02 67.39 2cfx s SER 111 CO 0.79 -1.45 1.83 -0.07 0.98 0.00 0.00 173.24 175.31 2cfx h LEU 112 N 2.00 0.73 -1.24 2.42 3.38 -1.97 -2.58 115.31 118.05 2cfx h LEU 112 Ca -0.25 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 57.72 2cfx h LEU 112 Cb 1.25 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.86 2cfx h LEU 112 CO 0.31 0.44 0.17 -0.08 0.09 0.00 0.00 178.44 179.37 2cfx h GLU 113 N 0.85 0.70 -0.67 1.13 4.81 -1.99 -1.69 114.58 117.72 2cfx h GLU 113 Ca 0.38 -0.11 -0.05 0.00 -0.13 0.00 0.00 59.36 59.45 2cfx h GLU 113 Cb 0.27 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.49 2cfx h GLU 113 CO -0.21 0.59 0.22 0.00 -0.73 0.00 0.00 179.01 178.88 2cfx h ALA 114 N 1.50 1.13 -0.06 2.92 0.00 -1.87 -0.83 119.26 122.04 2cfx h ALA 114 Ca 0.16 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 54.89 2cfx h ALA 114 Cb 0.18 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 2cfx h ALA 114 CO -0.01 0.61 -0.03 0.28 0.00 0.00 0.00 179.25 180.10 2cfx h VAL 115 N 0.98 0.91 -0.51 0.00 2.07 -1.02 -0.65 116.25 118.02 2cfx h VAL 115 Ca 0.22 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.84 2cfx h VAL 115 Cb 0.26 0.91 -0.10 0.00 -1.52 0.00 0.00 31.29 30.83 2cfx h VAL 115 CO -0.01 0.00 -0.26 -0.08 0.02 0.00 0.00 177.57 177.24 2cfx h GLU 116 N -0.02 -0.13 -0.68 1.57 4.81 -1.21 0.11 114.58 119.03 2cfx h GLU 116 Ca 0.04 0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.32 2cfx h GLU 116 Cb 0.07 0.03 -0.05 0.00 0.63 0.00 0.00 28.75 29.43 2cfx h GLU 116 CO -0.08 -0.09 0.40 -0.44 -0.73 0.00 0.00 179.01 178.07 2cfx h ASP 117 N -0.14 0.63 -0.53 1.04 3.32 -0.95 -0.29 116.42 119.50 2cfx h ASP 117 Ca 0.23 0.02 0.04 0.00 0.02 0.00 0.00 57.03 57.34 2cfx h ASP 117 Cb 0.50 -0.11 -0.04 0.00 0.22 0.00 0.00 39.33 39.90 2cfx h ASP 117 CO -0.59 0.42 0.28 0.15 -1.72 0.00 0.00 179.24 177.78 2cfx h PHE 118 N 0.76 0.52 -0.26 4.55 3.57 -0.60 0.43 116.94 125.90 2cfx h PHE 118 Ca 0.29 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.81 2cfx h PHE 118 Cb 0.12 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 38.69 2cfx h PHE 118 CO -0.06 0.26 0.16 0.82 -2.23 0.00 0.00 178.31 177.26 2cfx h ILE 119 N 0.55 1.09 -0.42 1.41 1.08 -0.08 0.25 117.51 121.39 2cfx h ILE 119 Ca 0.23 -0.19 0.04 0.00 -0.39 0.00 0.00 64.86 64.55 2cfx h ILE 119 Cb 0.12 0.75 -0.04 0.00 -3.07 0.00 0.00 36.82 34.58 2cfx h ILE 119 CO -0.15 0.08 0.18 0.78 -0.69 0.00 0.00 178.15 178.35 2cfx h ASN 120 N 0.34 0.22 0.81 1.72 2.35 -0.98 -2.23 115.58 117.80 2cfx h ASN 120 Ca 0.09 0.04 -0.05 0.00 -0.55 0.00 0.00 56.30 55.83 2cfx h ASN 120 Cb -0.00 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.36 2cfx h ASN 120 CO -0.02 0.16 -0.25 0.11 -1.65 0.00 0.00 177.43 175.78 2cfx h LYS 121 N 0.36 0.00 0.00 0.81 6.56 -0.09 -2.98 116.57 121.23 2cfx h LYS 121 Ca 0.19 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.78 2cfx h LYS 121 Cb 0.15 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.81 2cfx h LYS 121 CO -0.17 0.25 -0.44 0.00 -2.06 0.00 0.00 179.45 177.03 2cfx h THR 122 N 0.00 0.00 -0.71 -0.16 1.03 -0.19 -3.39 112.91 109.49 2cfx h THR 122 Ca -0.00 -0.60 0.09 0.00 -0.01 0.00 0.00 66.41 65.88 2cfx h THR 122 Cb 0.72 1.33 -0.05 0.00 -1.07 0.00 0.00 68.15 69.09 2cfx h THR 122 CO 0.03 0.00 0.47 0.28 -0.01 0.00 0.00 175.52 176.29 2cfx h SER 123 N 0.00 0.55 0.34 0.00 0.02 -1.25 -0.93 113.55 112.28 2cfx h SER 123 Ca 0.00 0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 60.95 2cfx h SER 123 Cb 0.80 -0.10 -0.00 0.00 0.14 0.00 0.00 62.40 63.23 2cfx h SER 123 CO 0.00 0.34 -0.07 -0.65 -1.14 0.00 0.00 176.83 175.31 2cfx h PRO 124 N 0.62 0.00 0.02 3.45 0.11 -1.78 -3.30 132.00 131.11 2cfx h PRO 124 Ca 0.32 0.00 -0.36 0.00 0.11 0.00 0.00 66.00 66.07 2cfx h PRO 124 Cb 0.44 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 31.50 2cfx h PRO 124 CO -0.11 0.07 -2.20 0.66 -0.21 0.00 0.00 178.00 176.20 2cfx n TYR 125 N -3.48 0.43 -3.66 0.65 4.02 -0.39 -4.80 117.16 109.94 2cfx n TYR 125 Ca -0.02 0.12 -0.15 0.00 -0.01 0.00 0.00 57.90 57.85 2cfx n TYR 125 Cb 0.19 -1.07 -0.08 0.00 -0.02 0.00 0.00 39.34 38.37 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 -2.53 -1.34 0.64 -0.72 0.00 -0.98 -0.67 121.76 116.16 2cfx s ALA 126 Ca -0.18 1.19 -0.16 0.00 0.00 0.00 0.00 51.96 52.81 2cfx s ALA 126 Cb 0.07 -0.41 -0.01 0.00 0.00 0.00 0.00 23.12 22.77 2cfx s ALA 126 CO 0.75 -0.29 1.13 -0.65 0.00 0.00 0.00 175.76 176.71 2cfx s GLN 127 N -0.52 2.84 0.00 0.00 -0.21 -0.27 -4.00 119.66 117.50 2cfx s GLN 127 Ca -0.06 1.52 0.01 0.00 0.02 0.00 0.00 55.36 56.85 2cfx s GLN 127 Cb -0.03 -1.94 -0.01 0.00 1.00 0.00 0.00 33.01 32.03 2cfx s GLN 127 CO 0.04 -1.24 -0.04 0.95 -2.12 0.00 0.00 175.29 172.88 2cfx s THR 128 N -2.12 0.32 -0.20 -0.19 -4.23 -1.26 -0.07 115.64 107.91 2cfx s THR 128 Ca 0.70 -0.34 -0.02 0.00 -1.18 0.00 0.00 61.69 60.85 2cfx s THR 128 Cb -0.23 -0.31 -0.00 0.00 1.34 0.00 0.00 72.50 73.30 2cfx s THR 128 CO 0.38 -0.02 -0.10 -0.69 -0.54 0.00 0.00 174.62 173.66 2cfx s VAL 129 N -0.35 2.95 -0.21 2.29 1.01 -0.50 -4.96 120.40 120.63 2cfx s VAL 129 Ca -0.01 -0.64 -0.08 0.00 0.00 0.00 0.00 61.98 61.24 2cfx s VAL 129 Cb -0.03 -2.31 -0.04 0.00 0.00 0.00 0.00 36.38 34.00 2cfx s VAL 129 CO -0.00 0.47 0.09 -0.89 0.00 0.00 0.00 175.10 174.77 2cfx s THR 130 N 1.28 4.94 -0.17 3.92 2.01 -1.26 -1.15 115.64 125.21 2cfx s THR 130 Ca 0.03 0.02 0.01 0.00 0.31 0.00 0.00 61.69 62.07 2cfx s THR 130 Cb -0.14 -3.26 0.02 0.00 0.01 0.00 0.00 72.50 69.13 2cfx s THR 130 CO -0.05 0.42 -0.20 -1.00 -0.69 0.00 0.00 174.62 173.10 2cfx s HIS 131 N 0.68 2.70 0.10 4.92 3.76 0.72 -5.00 115.29 123.17 2cfx s HIS 131 Ca 0.05 -1.56 -0.26 0.00 -0.15 0.00 0.00 55.06 53.14 2cfx s HIS 131 Cb -0.13 -1.87 -0.06 0.00 1.11 0.00 0.00 32.58 31.63 2cfx s HIS 131 CO 0.01 -0.77 0.81 0.08 -0.85 0.00 0.00 174.74 174.03 2cfx s VAL 132 N 1.24 4.55 -0.15 -0.90 1.01 -1.26 0.33 120.40 125.23 2cfx s VAL 132 Ca 0.03 1.75 -0.25 0.00 0.00 0.00 0.00 61.98 63.51 2cfx s VAL 132 Cb -0.13 -4.17 -0.02 0.00 0.00 0.00 0.00 36.38 32.06 2cfx s VAL 132 CO -0.11 0.41 0.83 -0.63 0.00 0.00 0.00 175.10 175.59 2cfx s ILE 133 N -0.41 4.90 0.04 2.22 1.01 -0.35 -4.87 121.20 123.73 2cfx s ILE 133 Ca 0.39 1.64 -0.16 0.00 0.00 0.00 0.00 60.65 62.52 2cfx s ILE 133 Cb -0.22 -4.14 -0.27 0.00 0.01 0.00 0.00 42.46 37.84 2cfx s ILE 133 CO 0.26 0.06 1.10 -0.26 0.00 0.00 0.00 174.94 176.10 2cfx h PHE 134 N 7.23 0.89 -2.22 3.97 0.05 -1.94 -3.44 116.94 121.48 2cfx h PHE 134 Ca -0.31 -0.54 0.30 0.00 3.82 0.00 0.00 57.97 61.24 2cfx h PHE 134 Cb 1.14 -0.08 -0.06 0.00 2.00 0.00 0.00 35.95 38.95 2cfx h PHE 134 CO 0.71 1.38 0.83 -1.54 -0.18 0.00 0.00 178.31 179.50 2cfx s SER 135 N -7.21 0.01 -0.01 2.17 1.04 -1.26 -5.15 113.70 103.29 2cfx s SER 135 Ca -0.11 -0.32 0.00 0.00 0.48 0.00 0.00 55.95 56.01 2cfx s SER 135 Cb 0.05 0.23 0.01 0.00 0.10 0.00 0.00 66.02 66.41 2cfx s SER 135 CO 0.90 -0.46 0.01 -0.70 0.98 0.00 0.00 173.24 173.97 2cfx s GLU 136 N -2.06 -0.01 -0.09 4.02 2.12 -1.26 -5.13 118.70 116.30 2cfx s GLU 136 Ca 0.28 0.07 -0.19 0.00 0.36 0.00 0.00 54.97 55.49 2cfx s GLU 136 Cb -0.01 -0.09 -0.04 0.00 0.26 0.00 0.00 34.13 34.24 2cfx s GLU 136 CO 0.01 -0.06 0.51 0.42 -0.54 0.00 0.00 175.26 175.59 2cfx s ILE 137 N 0.39 5.12 -0.13 -3.70 1.01 -1.26 -5.06 121.20 117.57 2cfx s ILE 137 Ca -0.03 1.03 -0.29 0.00 0.00 0.00 0.00 60.65 61.35 2cfx s ILE 137 Cb -0.05 -3.84 -0.02 0.00 0.01 0.00 0.00 42.46 38.56 2cfx s ILE 137 CO -0.01 0.36 1.25 -0.62 0.00 0.00 0.00 174.94 175.92 2cfx s ASP 138 N 0.36 6.97 0.17 3.58 2.15 -1.26 -5.04 116.67 123.59 2cfx s ASP 138 Ca 0.27 1.73 0.09 0.00 0.43 0.00 0.00 52.55 55.08 2cfx s ASP 138 Cb -0.16 -2.54 -0.04 0.00 -0.30 0.00 0.00 42.92 39.88 2cfx s ASP 138 CO 0.12 -0.71 -0.15 0.42 -0.17 0.00 0.00 175.17 174.68 2cfx s THR 139 N 3.12 2.94 -1.91 1.71 -4.23 -1.26 -5.37 115.64 110.64 2cfx s THR 139 Ca 0.55 -1.69 0.00 0.00 -1.18 0.00 0.00 61.69 59.37 2cfx s THR 139 Cb -0.23 -2.42 0.00 0.00 1.34 0.00 0.00 72.50 71.19 2cfx s THR 139 CO 0.17 -0.06 0.48 2.29 -0.54 0.00 0.00 174.62 176.96