#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 3.73 -0.24 2.12 0.00 -1.26 -5.08 119.74 119.01 2cfx s LYS 2 Ca 0.00 0.73 -0.06 0.00 0.00 0.00 0.00 55.97 56.64 2cfx s LYS 2 Cb 0.00 -2.17 -0.02 0.00 0.00 0.00 0.00 37.83 35.65 2cfx s LYS 2 CO 0.00 -0.37 0.02 -0.51 0.00 0.00 0.00 175.35 174.49 2cfx s LEU 3 N -4.60 3.23 0.94 2.77 1.02 -1.26 -5.11 118.68 115.67 2cfx s LEU 3 Ca 0.55 -0.30 -0.15 0.00 0.02 0.00 0.00 54.13 54.25 2cfx s LEU 3 Cb -0.10 -1.84 0.19 0.00 0.02 0.00 0.00 46.19 44.45 2cfx s LEU 3 CO 0.43 -0.03 1.29 1.51 0.02 0.00 0.00 176.35 179.57 2cfx s ASP 4 N 1.55 3.26 0.32 2.29 1.47 -1.26 -4.88 116.67 119.42 2cfx s ASP 4 Ca 0.06 0.24 0.00 0.00 1.18 0.00 0.00 52.55 54.03 2cfx s ASP 4 Cb -0.15 -0.32 0.53 0.00 -0.34 0.00 0.00 42.92 42.64 2cfx s ASP 4 CO 0.01 -2.64 1.97 -0.61 0.68 0.00 0.00 175.17 174.58 2cfx h GLN 5 N -1.54 0.98 0.00 2.11 5.75 -1.99 -1.96 115.11 118.46 2cfx h GLN 5 Ca -0.44 -0.06 -0.01 0.00 -0.15 0.00 0.00 58.65 57.99 2cfx h GLN 5 Cb 1.24 -0.22 -0.00 0.00 1.07 0.00 0.00 27.48 29.57 2cfx h GLN 5 CO 0.39 0.65 -0.07 0.82 -2.65 0.00 0.00 178.83 177.97 2cfx h ILE 6 N 1.01 0.17 0.27 2.39 1.08 -1.99 -2.43 117.51 118.01 2cfx h ILE 6 Ca 0.29 -0.71 -0.01 0.00 -0.39 0.00 0.00 64.86 64.04 2cfx h ILE 6 Cb -0.05 1.61 0.00 0.00 -3.07 0.00 0.00 36.82 35.30 2cfx h ILE 6 CO -0.07 0.07 -0.13 0.44 -0.69 0.00 0.00 178.15 177.76 2cfx h ASP 7 N 0.00 -0.31 0.00 1.72 3.32 -1.71 -2.52 116.42 116.91 2cfx h ASP 7 Ca -0.00 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.06 2cfx h ASP 7 Cb 0.60 0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.23 2cfx h ASP 7 CO 0.01 -0.02 0.57 -0.07 -1.72 0.00 0.00 179.24 178.01 2cfx h LEU 8 N -0.78 0.00 0.00 1.55 3.38 -1.47 0.51 115.31 118.50 2cfx h LEU 8 Ca -0.04 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.63 2cfx h LEU 8 Cb 0.28 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.98 2cfx h LEU 8 CO 0.06 0.00 -1.83 0.59 0.09 0.00 0.00 178.44 177.35 2cfx n ASN 9 N -1.94 0.77 -0.04 -0.43 3.02 -0.92 -2.65 115.26 113.07 2cfx n ASN 9 Ca -0.00 0.34 -0.14 0.00 -0.03 0.00 0.00 54.58 54.75 2cfx n ASN 9 Cb 0.58 0.09 -0.08 0.00 -0.61 0.00 0.00 39.78 39.75 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 1.40 -0.15 2.41 2.04 0.35 -2.72 117.51 120.84 2cfx h ILE 10 Ca -0.33 -1.51 -0.07 0.00 1.00 0.00 0.00 64.86 63.95 2cfx h ILE 10 Cb 2.05 2.14 -0.01 0.00 -0.74 0.00 0.00 36.82 40.26 2cfx h ILE 10 CO 0.07 0.43 -0.21 0.40 0.00 0.00 0.00 178.15 178.85 2cfx h ILE 11 N -0.15 1.22 -0.01 -0.67 2.04 -1.05 -1.12 117.51 117.77 2cfx h ILE 11 Ca 0.00 -1.00 0.00 0.00 1.00 0.00 0.00 64.86 64.86 2cfx h ILE 11 Cb 0.80 1.34 0.00 0.00 -0.74 0.00 0.00 36.82 38.22 2cfx h ILE 11 CO 0.05 0.31 -0.15 -0.62 0.00 0.00 0.00 178.15 177.74 2cfx n GLU 12 N -4.20 1.06 -0.07 2.37 1.02 -1.08 -2.61 120.64 117.13 2cfx n GLU 12 Ca -0.01 -0.57 -0.07 0.00 -0.02 0.00 0.00 57.16 56.50 2cfx n GLU 12 Cb 0.33 -1.49 -0.10 0.00 -0.02 0.00 0.00 31.44 30.16 2cfx n GLU 12 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 2cfx n GLU 13 N -0.47 1.84 0.10 3.49 2.13 -1.03 -4.16 120.64 122.54 2cfx n GLU 13 Ca 0.15 -0.01 -0.04 0.00 0.66 0.00 0.00 57.16 57.92 2cfx n GLU 13 Cb 0.33 -1.34 0.07 0.00 0.27 0.00 0.00 31.44 30.77 2cfx n GLU 13 CO 0.00 0.00 0.00 -0.07 -0.41 0.00 0.00 177.13 176.65 2cfx h LEU 14 N 0.00 0.10 -2.64 4.31 3.38 -1.34 -2.98 115.31 116.13 2cfx h LEU 14 Ca -0.36 -0.07 0.01 0.00 0.09 0.00 0.00 57.88 57.55 2cfx h LEU 14 Cb 1.82 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 42.54 2cfx h LEU 14 CO 0.02 0.80 0.07 0.11 0.09 0.00 0.00 178.44 179.53 2cfx h LYS 15 N 0.05 0.00 0.01 1.13 1.57 -1.69 -0.43 116.57 117.21 2cfx h LYS 15 Ca -0.02 0.00 -0.37 0.00 -1.87 0.00 0.00 60.65 58.39 2cfx h LYS 15 Cb 1.30 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 33.55 2cfx h LYS 15 CO 0.10 0.00 -2.33 1.63 -0.57 0.00 0.00 179.45 178.28 2cfx n LYS 16 N -3.34 0.67 -3.39 3.15 5.02 -1.18 -4.80 118.16 114.30 2cfx n LYS 16 Ca -0.02 0.12 -0.15 0.00 -2.02 0.00 0.00 58.31 56.24 2cfx n LYS 16 Cb 0.15 -1.56 -0.09 0.00 -0.02 0.00 0.00 35.03 33.50 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 -6.16 1.20 0.00 4.39 -1.08 -1.13 -5.04 116.67 108.85 2cfx s ASP 17 Ca -0.22 -0.48 0.30 0.00 -0.52 0.00 0.00 52.55 51.63 2cfx s ASP 17 Cb 0.08 0.69 1.59 0.00 -1.46 0.00 0.00 42.92 43.81 2cfx s ASP 17 CO 0.72 -0.36 2.06 -1.54 0.52 0.00 0.00 175.17 176.57 2cfx n SER 18 N 5.33 0.00 0.15 -0.34 3.41 -0.18 -3.77 113.62 118.22 2cfx n SER 18 Ca -0.02 -0.39 0.03 0.00 -0.26 0.00 0.00 58.87 58.23 2cfx n SER 18 Cb 0.48 -0.20 0.12 0.00 -0.26 0.00 0.00 64.21 64.35 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 0.00 0.00 -6.33 4.33 3.08 -1.96 -3.48 114.38 110.02 2cfx h ARG 19 Ca 0.00 0.00 -0.65 0.00 0.07 0.00 0.00 59.98 59.40 2cfx h ARG 19 Cb 0.19 0.00 0.07 0.00 0.08 0.00 0.00 29.97 30.31 2cfx h ARG 19 CO 0.00 0.48 0.33 1.28 -1.07 0.00 0.00 179.97 180.99 2cfx n LEU 20 N -3.31 1.63 -4.81 3.04 4.77 -1.25 -4.99 117.00 112.08 2cfx n LEU 20 Ca 0.01 1.14 -0.31 0.00 -0.03 0.00 0.00 56.01 56.82 2cfx n LEU 20 Cb 0.67 -1.22 0.04 0.00 -2.33 0.00 0.00 43.42 40.59 2cfx n LEU 20 CO 0.39 -1.20 0.71 -0.94 -1.33 0.00 0.00 177.39 175.02 2cfx s SER 21 N 0.12 5.42 0.26 -1.43 1.04 -1.26 -4.82 113.70 113.03 2cfx s SER 21 Ca 0.75 1.66 -0.02 0.00 0.48 0.00 0.00 55.95 58.83 2cfx s SER 21 Cb -0.86 -2.50 0.44 0.00 0.10 0.00 0.00 66.02 63.19 2cfx s SER 21 CO 0.51 -1.42 1.84 0.24 0.98 0.00 0.00 173.24 175.39 2cfx h MET 22 N -0.52 0.95 -0.58 4.02 0.00 -1.94 0.14 114.93 117.00 2cfx h MET 22 Ca -0.44 -0.06 0.12 0.00 0.00 0.00 0.00 59.70 59.32 2cfx h MET 22 Cb 1.21 -0.21 -0.11 0.00 0.00 0.00 0.00 31.60 32.49 2cfx h MET 22 CO 0.57 0.63 -0.13 0.00 0.00 0.00 0.00 176.91 177.97 2cfx h ARG 23 N 0.98 0.01 0.00 1.72 -0.00 -1.94 -0.15 114.38 115.00 2cfx h ARG 23 Ca 0.44 -0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.91 2cfx h ARG 23 Cb 0.33 -0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.30 2cfx h ARG 23 CO -0.22 0.01 -0.60 1.05 0.00 0.00 0.00 179.97 180.20 2cfx h GLU 24 N 0.01 0.00 -0.26 0.04 4.11 -1.72 -3.25 114.58 113.51 2cfx h GLU 24 Ca 0.28 0.00 -0.16 0.00 0.07 0.00 0.00 59.36 59.55 2cfx h GLU 24 Cb 0.43 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 2cfx h GLU 24 CO -0.59 0.00 -0.48 1.25 0.07 0.00 0.00 179.01 179.27 2cfx h LEU 25 N 0.00 0.76 0.23 3.06 5.85 -0.42 -3.30 115.31 121.49 2cfx h LEU 25 Ca 0.00 -0.38 -0.00 0.00 0.84 0.00 0.00 57.88 58.34 2cfx h LEU 25 Cb 0.79 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.59 2cfx h LEU 25 CO 0.00 1.11 -0.30 1.23 -0.34 0.00 0.00 178.44 180.15 2cfx h GLY 26 N 0.93 -1.08 1.02 3.75 0.00 -1.07 -3.02 103.07 103.60 2cfx h GLY 26 Ca 0.03 0.51 0.00 0.00 0.00 0.00 0.00 47.33 47.87 2cfx h GLY 26 CO 0.10 -0.34 0.46 0.07 0.00 0.00 0.00 176.54 176.83 2cfx h ARG 27 N -0.54 0.00 0.08 4.80 -0.00 -1.65 -1.49 114.38 115.58 2cfx h ARG 27 Ca -0.03 0.00 -0.37 0.00 -0.00 0.00 0.00 59.98 59.58 2cfx h ARG 27 Cb 0.49 0.00 -0.04 0.00 -0.00 0.00 0.00 29.97 30.42 2cfx h ARG 27 CO -0.08 0.00 -2.16 0.36 -0.00 0.00 0.00 179.97 178.09 2cfx n LYS 28 N -2.60 0.71 0.04 0.08 2.85 -1.15 -4.20 118.16 113.89 2cfx n LYS 28 Ca -0.01 0.23 0.12 0.00 -1.05 0.00 0.00 58.31 57.60 2cfx n LYS 28 Cb 0.49 -1.64 0.21 0.00 -0.65 0.00 0.00 35.03 33.44 2cfx n LYS 28 CO 0.00 0.00 0.00 0.44 -0.05 0.00 0.00 177.40 177.79 2cfx n ILE 29 N -3.44 0.23 -2.58 0.58 -5.35 -1.10 -5.02 119.36 102.68 2cfx n ILE 29 Ca -0.37 -0.18 -0.01 0.00 -0.27 0.00 0.00 62.75 61.91 2cfx n ILE 29 Cb 1.02 -0.02 0.01 0.00 -1.74 0.00 0.00 39.64 38.90 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 -1.90 -0.98 -3.90 6.28 -0.00 -0.58 -5.12 118.16 111.97 2cfx n LYS 30 Ca 0.04 1.12 -0.09 0.00 -0.00 0.00 0.00 58.31 59.38 2cfx n LYS 30 Cb 0.40 -4.43 -0.07 0.00 -0.00 0.00 0.00 35.03 30.93 2cfx n LYS 30 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.40 176.23 2cfx s LEU 31 N -3.52 1.44 0.02 -5.58 0.20 -1.13 -5.06 118.68 105.04 2cfx s LEU 31 Ca 0.04 -0.72 -0.30 0.00 0.69 0.00 0.00 54.13 53.83 2cfx s LEU 31 Cb -0.00 0.98 -0.05 0.00 -0.43 0.00 0.00 46.19 46.69 2cfx s LEU 31 CO 0.51 -0.74 1.24 -0.94 -0.29 0.00 0.00 176.35 176.13 2cfx s SER 32 N -2.89 7.03 0.20 3.68 1.04 -1.26 -4.42 113.70 117.08 2cfx s SER 32 Ca 0.07 1.97 -0.03 0.00 0.48 0.00 0.00 55.95 58.45 2cfx s SER 32 Cb 0.05 -2.57 0.39 0.00 0.10 0.00 0.00 66.02 63.99 2cfx s SER 32 CO -0.09 -0.55 1.04 -2.65 0.98 0.00 0.00 173.24 171.97 2cfx n PRO 33 N 4.57 -0.06 0.00 4.02 -0.02 -1.26 -1.42 135.00 140.83 2cfx n PRO 33 Ca 0.10 1.03 0.13 0.00 -2.02 0.00 0.00 63.50 62.74 2cfx n PRO 33 Cb 0.46 -1.57 0.43 0.00 -0.02 0.00 0.00 33.50 32.79 2cfx n PRO 33 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2cfx n PRO 34 N -5.01 0.11 0.01 0.52 -0.05 -1.26 -3.16 135.00 126.17 2cfx n PRO 34 Ca 0.13 -0.05 -0.11 0.00 -0.05 0.00 0.00 63.50 63.42 2cfx n PRO 34 Cb 0.41 -1.50 -0.14 0.00 -0.05 0.00 0.00 33.50 32.22 2cfx n PRO 34 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 175.50 176.48 2cfx h SER 35 N 0.11 0.12 -0.13 3.54 0.87 -1.67 -3.33 113.55 113.07 2cfx h SER 35 Ca 0.00 -0.21 -0.00 0.00 -1.23 0.00 0.00 61.79 60.35 2cfx h SER 35 Cb 0.48 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 62.40 2cfx h SER 35 CO 0.00 1.18 0.08 0.58 -0.53 0.00 0.00 176.83 178.14 2cfx h VAL 36 N 0.02 1.06 0.00 2.23 2.07 -1.33 -3.08 116.25 117.22 2cfx h VAL 36 Ca -0.24 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 67.14 2cfx h VAL 36 Cb 1.97 0.93 0.00 0.00 -1.52 0.00 0.00 31.29 32.67 2cfx h VAL 36 CO 0.11 0.05 0.00 0.00 0.02 0.00 0.00 177.57 177.75 2cfx h THR 37 N 0.14 0.00 0.15 2.57 1.03 -1.66 -1.44 112.91 113.71 2cfx h THR 37 Ca 0.05 -0.08 -0.32 0.00 -0.01 0.00 0.00 66.41 66.04 2cfx h THR 37 Cb 0.02 0.70 0.00 0.00 -1.07 0.00 0.00 68.15 67.80 2cfx h THR 37 CO -0.01 0.00 -1.61 -0.08 -0.01 0.00 0.00 175.52 173.81 2cfx h GLU 38 N 0.00 0.32 0.14 0.00 4.57 -1.64 -0.55 114.58 117.42 2cfx h GLU 38 Ca 0.00 -0.55 -0.01 0.00 -1.18 0.00 0.00 59.36 57.62 2cfx h GLU 38 Cb 0.12 0.21 0.00 0.00 -0.16 0.00 0.00 28.75 28.91 2cfx h GLU 38 CO 0.00 1.21 -0.07 0.00 -1.18 0.00 0.00 179.01 178.97 2cfx h ARG 39 N 0.09 -0.18 -0.78 1.92 3.08 -1.31 -1.79 114.38 115.41 2cfx h ARG 39 Ca -0.28 0.01 0.02 0.00 0.07 0.00 0.00 59.98 59.80 2cfx h ARG 39 Cb 2.06 0.04 -0.04 0.00 0.08 0.00 0.00 29.97 32.11 2cfx h ARG 39 CO 0.18 -0.04 0.52 0.28 -1.07 0.00 0.00 179.97 179.83 2cfx h VAL 40 N -0.29 1.18 -0.60 2.04 2.07 -1.42 -0.14 116.25 119.09 2cfx h VAL 40 Ca -0.02 -0.35 -0.03 0.00 0.82 0.00 0.00 66.70 67.12 2cfx h VAL 40 Cb 0.23 0.06 -0.03 0.00 -1.52 0.00 0.00 31.29 30.03 2cfx h VAL 40 CO 0.03 0.19 0.26 0.03 0.02 0.00 0.00 177.57 178.10 2cfx h ARG 41 N 1.03 0.86 0.00 1.57 -0.00 -0.96 -2.63 114.38 114.25 2cfx h ARG 41 Ca 0.29 -0.12 -0.07 0.00 -0.50 0.00 0.00 59.98 59.58 2cfx h ARG 41 Cb -0.07 -0.16 0.01 0.00 0.00 0.00 0.00 29.97 29.74 2cfx h ARG 41 CO -0.07 0.69 -0.27 1.96 0.00 0.00 0.00 179.97 182.28 2cfx h GLN 42 N 0.86 0.18 -0.63 0.04 4.20 -0.58 -2.46 115.11 116.71 2cfx h GLN 42 Ca 0.21 -0.20 0.12 0.00 0.06 0.00 0.00 58.65 58.85 2cfx h GLN 42 Cb 0.13 0.06 -0.12 0.00 0.30 0.00 0.00 27.48 27.84 2cfx h GLN 42 CO -0.02 0.94 -0.23 -0.07 -0.67 0.00 0.00 178.83 178.78 2cfx h LEU 43 N -0.51 -0.81 -0.89 1.46 3.38 -1.03 0.64 115.31 117.56 2cfx h LEU 43 Ca -0.03 0.21 -0.12 0.00 0.09 0.00 0.00 57.88 58.03 2cfx h LEU 43 Cb 1.04 0.47 -0.02 0.00 0.09 0.00 0.00 40.66 42.24 2cfx h LEU 43 CO 0.05 -0.25 -0.54 -0.33 0.09 0.00 0.00 178.44 177.46 2cfx h GLU 44 N -0.06 0.05 -0.07 1.13 5.08 -1.53 -1.34 114.58 117.83 2cfx h GLU 44 Ca 0.29 -0.03 -0.16 0.00 -1.00 0.00 0.00 59.36 58.46 2cfx h GLU 44 Cb 0.51 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.77 2cfx h GLU 44 CO -0.68 0.57 -0.58 0.66 -1.00 0.00 0.00 179.01 177.99 2cfx h SER 45 N 0.04 0.64 0.28 1.42 4.64 -1.01 -3.11 113.55 116.45 2cfx h SER 45 Ca -0.00 -0.68 0.00 0.00 -0.47 0.00 0.00 61.79 60.64 2cfx h SER 45 Cb 0.96 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 62.86 2cfx h SER 45 CO 0.07 1.22 0.00 0.49 -0.87 0.00 0.00 176.83 177.74 2cfx n PHE 46 N -4.19 0.00 -0.83 4.77 3.01 0.18 -4.89 117.46 115.51 2cfx n PHE 46 Ca -0.09 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.37 2cfx n PHE 46 Cb 0.65 -0.21 0.00 0.00 -0.01 0.00 0.00 39.48 39.90 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 0.42 0.51 0.04 1.37 0.00 -1.04 -4.96 105.19 101.54 2cfx n GLY 47 Ca 0.11 -0.74 -0.00 0.00 0.00 0.00 0.00 46.02 45.39 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 0.00 -2.79 -0.61 2.04 -1.51 -3.40 117.51 111.23 2cfx h ILE 48 Ca 0.00 -0.85 -0.56 0.00 1.00 0.00 0.00 64.86 64.45 2cfx h ILE 48 Cb 0.00 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.06 2cfx h ILE 48 CO 0.00 0.00 0.97 -0.63 0.00 0.00 0.00 178.15 178.49 2cfx s ILE 49 N -1.51 3.95 -0.08 -0.67 1.01 -1.14 -4.92 121.20 117.84 2cfx s ILE 49 Ca -0.01 1.17 0.14 0.00 0.00 0.00 0.00 60.65 61.95 2cfx s ILE 49 Cb 0.00 -3.75 -0.21 0.00 0.01 0.00 0.00 42.46 38.50 2cfx s ILE 49 CO 0.01 -0.09 0.21 0.29 0.00 0.00 0.00 174.94 175.36 2cfx n LYS 50 N 6.67 0.99 -3.63 2.79 5.02 -1.26 -4.45 118.16 124.28 2cfx n LYS 50 Ca 0.15 -0.08 -0.06 0.00 -2.02 0.00 0.00 58.31 56.30 2cfx n LYS 50 Cb 0.44 -1.37 -0.06 0.00 -0.02 0.00 0.00 35.03 34.01 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 -2.76 0.31 -0.41 1.97 0.74 -1.26 -5.11 119.66 113.13 2cfx s GLN 51 Ca -0.06 0.28 -0.16 0.00 0.05 0.00 0.00 55.36 55.47 2cfx s GLN 51 Cb 0.07 0.15 0.02 0.00 1.10 0.00 0.00 33.01 34.35 2cfx s GLN 51 CO 0.63 -0.05 0.39 0.71 -0.55 0.00 0.00 175.29 176.41 2cfx s TYR 52 N -0.16 3.19 0.08 1.67 1.51 -1.26 -5.02 117.35 117.36 2cfx s TYR 52 Ca 0.05 -0.42 0.00 0.00 -1.01 0.00 0.00 57.07 55.69 2cfx s TYR 52 Cb -0.04 -2.79 -0.00 0.00 -0.11 0.00 0.00 41.96 39.02 2cfx s TYR 52 CO -0.09 -0.65 0.01 -2.37 -1.11 0.00 0.00 175.55 171.34 2cfx n THR 53 N 5.34 0.00 -4.15 -0.71 5.66 -1.26 -5.14 114.28 114.03 2cfx n THR 53 Ca -0.09 -0.38 -0.16 0.00 -3.05 0.00 0.00 64.05 60.38 2cfx n THR 53 Cb 0.47 0.09 -0.15 0.00 -1.55 0.00 0.00 70.33 69.20 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 1.92 -0.12 1.09 2.96 -1.26 -4.94 118.68 118.33 2cfx s LEU 54 Ca 0.01 -0.09 -0.11 0.00 -0.22 0.00 0.00 54.13 53.72 2cfx s LEU 54 Cb 0.00 -0.28 -0.05 0.00 0.50 0.00 0.00 46.19 46.37 2cfx s LEU 54 CO 0.01 0.05 0.22 -1.61 -1.32 0.00 0.00 176.35 173.70 2cfx s GLU 55 N 0.01 3.86 0.09 1.98 2.02 -1.26 -5.09 118.70 120.30 2cfx s GLU 55 Ca 0.00 0.01 0.08 0.00 0.02 0.00 0.00 54.97 55.08 2cfx s GLU 55 Cb -0.04 -3.29 -0.03 0.00 0.10 0.00 0.00 34.13 30.87 2cfx s GLU 55 CO -0.00 0.55 -0.21 0.08 0.02 0.00 0.00 175.26 175.70 2cfx s VAL 56 N -0.44 1.71 -0.42 2.63 1.01 -1.26 -5.09 120.40 118.54 2cfx s VAL 56 Ca 0.16 -1.46 -0.16 0.00 0.00 0.00 0.00 61.98 60.51 2cfx s VAL 56 Cb -0.13 -1.54 0.03 0.00 0.00 0.00 0.00 36.38 34.74 2cfx s VAL 56 CO 0.05 0.01 0.39 -0.62 0.00 0.00 0.00 175.10 174.93 2cfx s ASP 57 N -1.73 6.16 0.36 3.32 -1.08 -1.26 -4.97 116.67 117.47 2cfx s ASP 57 Ca 0.07 -0.81 0.05 0.00 -0.52 0.00 0.00 52.55 51.34 2cfx s ASP 57 Cb -0.10 -2.20 0.71 0.00 -1.46 0.00 0.00 42.92 39.87 2cfx s ASP 57 CO 0.04 -0.55 1.97 1.56 0.52 0.00 0.00 175.17 178.71 2cfx h GLN 58 N 8.71 0.76 -0.72 4.34 1.08 -1.97 -2.70 115.11 124.60 2cfx h GLN 58 Ca -0.27 -0.05 -0.04 0.00 -1.45 0.00 0.00 58.65 56.85 2cfx h GLN 58 Cb 1.11 -0.17 -0.03 0.00 -0.05 0.00 0.00 27.48 28.34 2cfx h GLN 58 CO 0.78 0.50 0.31 0.87 -0.95 0.00 0.00 178.83 180.35 2cfx h LYS 59 N 0.78 1.05 0.00 1.46 6.56 -1.90 -1.01 116.57 123.51 2cfx h LYS 59 Ca 0.29 -0.17 -0.05 0.00 -1.06 0.00 0.00 60.65 59.66 2cfx h LYS 59 Cb 0.15 -0.18 -0.01 0.00 -0.57 0.00 0.00 32.23 31.62 2cfx h LYS 59 CO -0.09 0.84 -0.25 0.87 -2.06 0.00 0.00 179.45 178.76 2cfx h LYS 60 N 1.04 0.00 -0.34 3.15 1.57 -1.82 -1.91 116.57 118.25 2cfx h LYS 60 Ca 0.25 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.03 2cfx h LYS 60 Cb 0.16 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.47 2cfx h LYS 60 CO -0.03 0.25 0.00 1.28 -0.57 0.00 0.00 179.45 180.38 2cfx n LEU 61 N -3.35 1.23 0.00 2.94 4.77 -0.87 -4.91 117.00 116.82 2cfx n LEU 61 Ca 0.01 -0.62 0.00 0.00 -0.03 0.00 0.00 56.01 55.37 2cfx n LEU 61 Cb 0.48 -0.22 0.00 0.00 -2.33 0.00 0.00 43.42 41.35 2cfx n LEU 61 CO 0.34 0.26 0.00 0.61 -1.33 0.00 0.00 177.39 177.28 2cfx n GLY 62 N 0.64 0.74 2.88 -0.72 0.00 -0.72 -5.00 105.19 103.01 2cfx n GLY 62 Ca 0.06 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.76 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 4.00 -0.05 0.99 4.77 -0.44 -4.37 117.00 121.91 2cfx n LEU 63 Ca 0.00 -5.24 0.15 0.00 -0.03 0.00 0.00 56.01 50.89 2cfx n LEU 63 Cb 0.00 -0.92 0.74 0.00 -2.33 0.00 0.00 43.42 40.91 2cfx n LEU 63 CO 0.00 1.75 0.99 -0.81 -1.33 0.00 0.00 177.39 177.99 2cfx n PRO 64 N 1.75 0.63 -4.43 3.23 -0.04 -0.98 -3.59 135.00 131.58 2cfx n PRO 64 Ca 0.24 -0.09 -0.34 0.00 -0.04 0.00 0.00 63.50 63.27 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 -2.43 3.90 0.07 0.52 1.01 -0.63 -4.89 120.40 117.95 2cfx s VAL 65 Ca 0.32 -0.36 0.07 0.00 0.00 0.00 0.00 61.98 62.01 2cfx s VAL 65 Cb 0.21 -2.69 -0.03 0.00 0.00 0.00 0.00 36.38 33.87 2cfx s VAL 65 CO 0.45 0.52 -0.19 -0.44 0.00 0.00 0.00 175.10 175.43 2cfx s SER 66 N 0.11 2.32 0.00 3.32 0.01 -1.26 0.43 113.70 118.64 2cfx s SER 66 Ca -0.01 -0.59 0.01 0.00 1.31 0.00 0.00 55.95 56.67 2cfx s SER 66 Cb -0.14 -0.15 -0.01 0.00 0.21 0.00 0.00 66.02 65.94 2cfx s SER 66 CO 0.03 0.08 -0.02 0.00 0.41 0.00 0.00 173.24 173.73 2cfx s ILE 68 N -0.31 4.77 -0.07 0.00 -1.09 -0.00 -1.62 121.20 122.89 2cfx s ILE 68 Ca -0.02 1.46 0.03 0.00 -2.23 0.00 0.00 60.65 59.89 2cfx s ILE 68 Cb -0.03 -4.03 0.00 0.00 -1.58 0.00 0.00 42.46 36.83 2cfx s ILE 68 CO -0.00 0.41 -0.17 -0.69 -1.23 0.00 0.00 174.94 173.26 2cfx s VAL 69 N -0.26 1.45 -0.17 2.92 1.01 0.24 -0.94 120.40 124.65 2cfx s VAL 69 Ca 0.35 -0.69 -0.11 0.00 0.00 0.00 0.00 61.98 61.53 2cfx s VAL 69 Cb -0.20 -1.28 -0.05 0.00 0.00 0.00 0.00 36.38 34.86 2cfx s VAL 69 CO 0.21 0.42 0.19 -1.61 0.00 0.00 0.00 175.10 174.31 2cfx s GLU 70 N 0.36 4.12 -0.02 2.72 2.02 -0.03 -0.85 118.70 127.03 2cfx s GLU 70 Ca -0.12 -0.09 0.07 0.00 0.02 0.00 0.00 54.97 54.86 2cfx s GLU 70 Cb -0.15 -3.39 -0.02 0.00 0.10 0.00 0.00 34.13 30.67 2cfx s GLU 70 CO 0.04 0.34 -0.24 0.00 0.02 0.00 0.00 175.26 175.42 2cfx s ALA 71 N 0.21 2.02 -0.12 5.21 0.00 0.89 -1.43 121.76 128.52 2cfx s ALA 71 Ca 0.12 -1.05 -0.00 0.00 0.00 0.00 0.00 51.96 51.03 2cfx s ALA 71 Cb -0.12 -0.51 0.03 0.00 0.00 0.00 0.00 23.12 22.51 2cfx s ALA 71 CO 0.01 0.49 -0.08 -0.08 0.00 0.00 0.00 175.76 176.10 2cfx s THR 72 N -0.57 1.10 0.29 0.00 -1.32 0.77 -0.07 115.64 115.84 2cfx s THR 72 Ca 0.09 -0.35 -0.30 0.00 -1.21 0.00 0.00 61.69 59.92 2cfx s THR 72 Cb -0.09 -1.11 -0.11 0.00 -1.51 0.00 0.00 72.50 69.67 2cfx s THR 72 CO -0.01 0.36 1.60 -0.69 -2.21 0.00 0.00 174.62 173.67 2cfx s VAL 73 N 1.68 2.05 0.32 5.08 1.01 -1.26 -0.44 120.40 128.84 2cfx s VAL 73 Ca 0.05 0.05 -0.02 0.00 0.00 0.00 0.00 61.98 62.06 2cfx s VAL 73 Cb -0.13 -3.03 -0.04 0.00 0.00 0.00 0.00 36.38 33.18 2cfx s VAL 73 CO -0.09 0.01 0.55 -0.54 0.00 0.00 0.00 175.10 175.03 2cfx s LYS 74 N -0.49 3.54 -1.35 2.72 1.02 -0.05 -4.42 119.74 120.71 2cfx s LYS 74 Ca 0.63 -0.20 0.00 0.00 0.02 0.00 0.00 55.97 56.42 2cfx s LYS 74 Cb -0.48 -2.66 0.00 0.00 -0.52 0.00 0.00 37.83 34.17 2cfx s LYS 74 CO 0.48 0.17 0.00 0.09 -0.92 0.00 0.00 175.35 175.17 2cfx n ASN 75 N -1.44 -4.13 -1.63 2.83 3.02 -1.26 -2.24 115.26 110.41 2cfx n ASN 75 Ca -0.04 0.23 -0.13 0.00 -0.03 0.00 0.00 54.58 54.62 2cfx n ASN 75 Cb 0.55 -3.61 -0.04 0.00 -0.61 0.00 0.00 39.78 36.07 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 -1.00 -0.34 -3.40 5.41 0.00 -1.26 -4.88 120.51 115.04 2cfx n ALA 76 Ca -0.16 0.18 -0.44 0.00 0.00 0.00 0.00 53.44 53.03 2cfx n ALA 76 Cb 0.56 -1.41 -0.02 0.00 0.00 0.00 0.00 19.45 18.59 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 -2.08 7.00 0.20 0.00 -1.08 -0.95 -4.85 116.67 114.91 2cfx s ASP 77 Ca 0.00 -3.51 -0.07 0.00 -0.52 0.00 0.00 52.55 48.45 2cfx s ASP 77 Cb 0.00 -2.15 0.14 0.00 -1.46 0.00 0.00 42.92 39.45 2cfx s ASP 77 CO 0.00 -0.30 1.64 1.88 0.52 0.00 0.00 175.17 178.91 2cfx h TYR 78 N 6.68 1.03 -0.72 -5.34 -1.99 -1.90 -3.16 116.97 111.56 2cfx h TYR 78 Ca 0.16 -0.20 -0.02 0.00 2.00 0.00 0.00 58.73 60.68 2cfx h TYR 78 Cb 0.88 -0.26 -0.03 0.00 2.00 0.00 0.00 36.73 39.32 2cfx h TYR 78 CO 0.78 0.97 0.38 0.93 -0.00 0.00 0.00 178.16 181.22 2cfx h GLU 79 N 0.83 1.02 -0.03 4.88 5.08 -1.99 -1.28 114.58 123.08 2cfx h GLU 79 Ca 0.13 -0.13 -0.09 0.00 -1.00 0.00 0.00 59.36 58.28 2cfx h GLU 79 Cb 0.63 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 2cfx h GLU 79 CO 0.04 0.77 -0.38 -0.09 -1.00 0.00 0.00 179.01 178.36 2cfx h ARG 80 N 1.00 0.07 -0.01 2.33 2.43 -1.97 -2.18 114.38 116.05 2cfx h ARG 80 Ca 0.25 -0.03 -0.15 0.00 -0.81 0.00 0.00 59.98 59.25 2cfx h ARG 80 Cb 0.07 -0.00 0.01 0.00 -0.42 0.00 0.00 29.97 29.62 2cfx h ARG 80 CO -0.04 0.44 -0.57 0.35 -1.51 0.00 0.00 179.97 178.64 2cfx h PHE 81 N 0.06 0.59 -0.29 2.20 3.57 -1.49 -1.61 116.94 119.97 2cfx h PHE 81 Ca 0.00 -0.31 0.01 0.00 3.53 0.00 0.00 57.97 61.20 2cfx h PHE 81 Cb 0.70 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 39.36 2cfx h PHE 81 CO 0.00 1.13 0.18 -0.22 -2.23 0.00 0.00 178.31 177.17 2cfx h LYS 82 N -0.12 0.35 0.02 1.11 3.64 -1.16 0.17 116.57 120.58 2cfx h LYS 82 Ca -0.07 -0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.30 2cfx h LYS 82 Cb 1.28 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 33.00 2cfx h LYS 82 CO 0.11 0.23 -0.09 0.77 -2.27 0.00 0.00 179.45 178.20 2cfx h SER 83 N 0.36 -0.26 -0.15 4.20 0.02 -1.41 -0.86 113.55 115.45 2cfx h SER 83 Ca 0.11 0.04 0.02 0.00 -0.84 0.00 0.00 61.79 61.12 2cfx h SER 83 Cb -0.02 0.11 -0.04 0.00 0.14 0.00 0.00 62.40 62.58 2cfx h SER 83 CO -0.04 -0.14 -0.34 0.22 -1.14 0.00 0.00 176.83 175.40 2cfx h TYR 84 N -0.17 -1.02 -0.99 3.45 3.20 -1.07 -2.76 116.97 117.62 2cfx h TYR 84 Ca 0.03 0.04 0.22 0.00 3.14 0.00 0.00 58.73 62.16 2cfx h TYR 84 Cb 0.20 0.46 -0.10 0.00 1.54 0.00 0.00 36.73 38.84 2cfx h TYR 84 CO -0.15 -0.32 0.62 0.82 -1.64 0.00 0.00 178.16 177.49 2cfx h ILE 85 N -0.31 0.64 0.00 1.81 1.08 -0.88 -1.30 117.51 118.55 2cfx h ILE 85 Ca 0.03 -0.20 0.00 0.00 -0.39 0.00 0.00 64.86 64.30 2cfx h ILE 85 Cb 0.40 0.01 0.00 0.00 -3.07 0.00 0.00 36.82 34.16 2cfx h ILE 85 CO -0.31 0.11 0.00 0.00 -0.69 0.00 0.00 178.15 177.26 2cfx n GLN 86 N -4.68 0.04 -0.24 2.37 6.02 -0.34 -2.18 117.38 118.37 2cfx n GLN 86 Ca 0.23 0.26 0.12 0.00 -0.01 0.00 0.00 57.00 57.60 2cfx n GLN 86 Cb 0.69 -1.50 0.25 0.00 1.02 0.00 0.00 30.24 30.70 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 -1.45 0.63 -3.94 5.09 -2.24 -0.49 -4.98 114.28 106.90 2cfx n THR 87 Ca 0.04 -0.80 -0.35 0.00 -2.27 0.00 0.00 64.05 60.66 2cfx n THR 87 Cb 0.13 0.84 -0.09 0.00 -2.10 0.00 0.00 70.33 69.12 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 -1.36 4.00 0.51 3.22 1.43 -0.93 -5.09 118.68 120.47 2cfx s LEU 88 Ca 0.42 0.20 -0.18 0.00 -1.03 0.00 0.00 54.13 53.53 2cfx s LEU 88 Cb 0.24 -2.00 -0.08 0.00 0.03 0.00 0.00 46.19 44.37 2cfx s LEU 88 CO 0.32 0.24 1.01 -2.16 0.23 0.00 0.00 176.35 175.99 2cfx s PRO 89 N 0.01 3.81 -0.85 1.29 0.04 -1.26 -4.19 135.00 133.84 2cfx s PRO 89 Ca 0.07 1.17 0.00 0.00 0.04 0.00 0.00 61.00 62.29 2cfx s PRO 89 Cb -0.12 -2.11 0.00 0.00 0.04 0.00 0.00 34.50 32.32 2cfx s PRO 89 CO 0.00 -0.40 0.00 0.09 0.04 0.00 0.00 177.00 176.73 2cfx n ASN 90 N -1.31 -3.35 -4.45 6.66 3.02 -1.26 -4.91 115.26 109.67 2cfx n ASN 90 Ca 0.08 0.00 -0.44 0.00 -0.03 0.00 0.00 54.58 54.20 2cfx n ASN 90 Cb 0.53 -2.58 -0.05 0.00 -0.61 0.00 0.00 39.78 37.08 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 -2.48 4.68 0.32 2.41 -1.09 -1.26 -1.59 121.20 122.19 2cfx s ILE 91 Ca 0.00 -0.44 0.10 0.00 -2.23 0.00 0.00 60.65 58.08 2cfx s ILE 91 Cb 0.00 -4.45 0.05 0.00 -1.58 0.00 0.00 42.46 36.48 2cfx s ILE 91 CO 0.00 -1.04 1.73 -0.08 -1.23 0.00 0.00 174.94 174.33 2cfx h GLU 92 N 9.19 0.09 -2.81 2.79 4.81 -1.43 -3.47 114.58 123.74 2cfx h GLU 92 Ca -0.28 -0.04 0.02 0.00 -0.13 0.00 0.00 59.36 58.93 2cfx h GLU 92 Cb 1.09 -0.00 -0.12 0.00 0.63 0.00 0.00 28.75 30.34 2cfx h GLU 92 CO 1.05 0.52 0.29 -0.59 -0.73 0.00 0.00 179.01 179.54 2cfx s PHE 93 N -4.05 -0.45 -0.25 0.92 -0.12 -1.25 -4.98 117.98 107.80 2cfx s PHE 93 Ca -0.03 0.24 -0.03 0.00 -0.05 0.00 0.00 56.93 57.06 2cfx s PHE 93 Cb 0.14 0.57 0.14 0.00 -0.63 0.00 0.00 43.02 43.24 2cfx s PHE 93 CO 0.75 -0.81 0.42 0.00 -0.05 0.00 0.00 175.22 175.53 2cfx s TYR 95 N 2.61 3.20 -0.13 0.00 1.51 0.27 -4.96 117.35 119.86 2cfx s TYR 95 Ca 0.13 0.21 -0.27 0.00 -1.01 0.00 0.00 57.07 56.13 2cfx s TYR 95 Cb -0.15 -1.77 -0.02 0.00 -0.11 0.00 0.00 41.96 39.91 2cfx s TYR 95 CO -0.17 0.50 0.88 0.50 -1.11 0.00 0.00 175.55 176.15 2cfx s ARG 96 N -1.13 4.37 0.24 -0.62 6.06 -1.26 -2.06 118.95 124.54 2cfx s ARG 96 Ca 0.16 1.14 0.08 0.00 -2.50 0.00 0.00 55.73 54.61 2cfx s ARG 96 Cb -0.11 -3.54 -0.05 0.00 0.06 0.00 0.00 34.95 31.30 2cfx s ARG 96 CO 0.05 -0.26 -0.14 0.96 -2.50 0.00 0.00 175.30 173.41 2cfx s ILE 97 N 1.88 1.88 0.18 4.11 -4.36 -0.12 -4.98 121.20 119.79 2cfx s ILE 97 Ca 0.42 -2.24 -0.16 0.00 -0.26 0.00 0.00 60.65 58.41 2cfx s ILE 97 Cb -0.17 -2.18 -0.07 0.00 1.25 0.00 0.00 42.46 41.28 2cfx s ILE 97 CO 0.16 -0.50 0.62 0.00 0.24 0.00 0.00 174.94 175.46 2cfx s ALA 98 N -2.88 3.51 0.00 2.27 0.00 -1.26 -4.69 121.76 118.71 2cfx s ALA 98 Ca 0.25 -0.01 0.00 0.00 0.00 0.00 0.00 51.96 52.20 2cfx s ALA 98 Cb -0.01 -2.64 0.00 0.00 0.00 0.00 0.00 23.12 20.47 2cfx s ALA 98 CO 0.10 0.40 0.00 0.41 0.00 0.00 0.00 175.76 176.67 2cfx n GLY 99 N 0.78 0.62 0.14 0.00 0.00 -1.26 -4.90 105.19 100.58 2cfx n GLY 99 Ca -0.04 -1.48 -0.21 0.00 0.00 0.00 0.00 46.02 44.28 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 -2.46 4.61 0.00 -2.01 -3.47 119.26 116.29 2cfx h ALA 100 Ca 0.00 -1.31 -0.48 0.00 0.00 0.00 0.00 54.91 53.12 2cfx h ALA 100 Cb 0.00 0.62 0.08 0.00 0.00 0.00 0.00 17.79 18.49 2cfx h ALA 100 CO 0.00 1.23 0.34 0.00 0.00 0.00 0.00 179.25 180.82 2cfx s ALA 101 N -2.57 2.93 -0.19 0.00 0.00 -1.26 -4.99 121.76 115.69 2cfx s ALA 101 Ca -0.20 -0.60 0.03 0.00 0.00 0.00 0.00 51.96 51.19 2cfx s ALA 101 Cb 0.06 -2.86 -0.22 0.00 0.00 0.00 0.00 23.12 20.11 2cfx s ALA 101 CO 0.80 -1.28 0.08 0.00 0.00 0.00 0.00 175.76 175.36 2cfx s TYR 103 N -2.53 0.21 -0.16 0.00 1.51 -0.65 -0.95 117.35 114.77 2cfx s TYR 103 Ca -0.24 -0.45 0.01 0.00 -1.01 0.00 0.00 57.07 55.38 2cfx s TYR 103 Cb 0.08 -0.16 0.01 0.00 -0.11 0.00 0.00 41.96 41.78 2cfx s TYR 103 CO 0.71 -0.22 -0.20 1.41 -1.11 0.00 0.00 175.55 176.14 2cfx s MET 104 N -1.51 3.03 0.28 -0.62 1.75 -0.87 -0.08 119.30 121.28 2cfx s MET 104 Ca -0.15 -0.83 0.06 0.00 -1.25 0.00 0.00 55.69 53.52 2cfx s MET 104 Cb -0.09 -2.53 -0.06 0.00 2.84 0.00 0.00 34.83 34.99 2cfx s MET 104 CO -0.01 -0.12 -0.05 -0.48 -0.65 0.00 0.00 175.02 173.72 2cfx s LEU 105 N 1.07 2.46 -0.15 4.11 0.05 -0.03 -0.56 118.68 125.63 2cfx s LEU 105 Ca -0.01 -1.20 0.01 0.00 0.05 0.00 0.00 54.13 52.98 2cfx s LEU 105 Cb -0.14 -0.62 -0.00 0.00 -2.05 0.00 0.00 46.19 43.38 2cfx s LEU 105 CO -0.07 -0.36 -0.17 -0.75 -0.55 0.00 0.00 176.35 174.45 2cfx s LYS 106 N -3.74 3.19 -0.09 1.48 2.20 -1.04 0.80 119.74 122.54 2cfx s LYS 106 Ca 0.30 -0.77 -0.00 0.00 -0.36 0.00 0.00 55.97 55.14 2cfx s LYS 106 Cb 0.04 -2.59 -0.03 0.00 -1.51 0.00 0.00 37.83 33.75 2cfx s LYS 106 CO 0.12 0.02 -0.05 -1.50 -0.36 0.00 0.00 175.35 173.58 2cfx s ILE 107 N 0.79 3.85 -0.09 5.43 2.07 -0.64 -0.99 121.20 131.62 2cfx s ILE 107 Ca -0.06 -0.41 -0.04 0.00 -1.41 0.00 0.00 60.65 58.72 2cfx s ILE 107 Cb -0.15 -2.60 -0.04 0.00 0.13 0.00 0.00 42.46 39.80 2cfx s ILE 107 CO 0.00 0.58 0.09 0.20 -1.91 0.00 0.00 174.94 173.90 2cfx s ASN 108 N -0.62 5.93 0.05 4.50 0.02 -0.62 -1.59 114.94 122.61 2cfx s ASN 108 Ca 0.10 0.32 -0.10 0.00 -1.02 0.00 0.00 52.86 52.16 2cfx s ASN 108 Cb -0.12 -1.82 0.00 0.00 0.02 0.00 0.00 41.25 39.34 2cfx s ASN 108 CO 0.02 0.38 0.21 0.00 0.02 0.00 0.00 177.10 177.73 2cfx s ALA 109 N -1.01 -0.38 0.02 0.60 0.00 0.17 -4.84 121.76 116.33 2cfx s ALA 109 Ca 0.16 -0.31 0.19 0.00 0.00 0.00 0.00 51.96 51.99 2cfx s ALA 109 Cb -0.12 0.33 0.49 0.00 0.00 0.00 0.00 23.12 23.82 2cfx s ALA 109 CO 0.05 -0.40 1.64 0.93 0.00 0.00 0.00 175.76 177.98 2cfx h GLU 110 N 3.27 0.00 -2.72 0.00 5.08 -1.85 -1.56 114.58 116.80 2cfx h GLU 110 Ca -0.32 0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.10 2cfx h GLU 110 Cb 1.19 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 30.34 2cfx h GLU 110 CO 0.50 0.39 0.33 -1.54 -1.00 0.00 0.00 179.01 177.68 2cfx s SER 111 N -6.38 -0.40 0.31 1.42 1.04 -1.26 -4.37 113.70 104.07 2cfx s SER 111 Ca 0.02 -0.19 0.06 0.00 0.48 0.00 0.00 55.95 56.32 2cfx s SER 111 Cb 0.09 0.56 0.74 0.00 0.10 0.00 0.00 66.02 67.51 2cfx s SER 111 CO 0.70 -0.95 1.80 -0.07 0.98 0.00 0.00 173.24 175.70 2cfx h LEU 112 N 2.00 0.77 -0.76 2.42 3.38 -1.98 -1.77 115.31 119.38 2cfx h LEU 112 Ca -0.26 0.08 -0.06 0.00 0.09 0.00 0.00 57.88 57.72 2cfx h LEU 112 Cb 1.27 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.92 2cfx h LEU 112 CO 0.31 0.32 0.24 -0.33 0.09 0.00 0.00 178.44 179.07 2cfx h GLU 113 N 0.78 1.17 -0.58 1.13 3.07 -2.00 -2.04 114.58 116.11 2cfx h GLU 113 Ca 0.54 -0.25 -0.01 0.00 -0.50 0.00 0.00 59.36 59.14 2cfx h GLU 113 Cb 0.83 -0.17 -0.03 0.00 -0.84 0.00 0.00 28.75 28.54 2cfx h GLU 113 CO -0.32 0.99 0.30 0.00 -1.40 0.00 0.00 179.01 178.58 2cfx h ALA 114 N 1.13 1.44 -0.23 3.43 0.00 -1.74 -1.45 119.26 121.84 2cfx h ALA 114 Ca 0.24 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 55.06 2cfx h ALA 114 Cb 0.30 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 2cfx h ALA 114 CO -0.01 0.46 0.12 0.28 0.00 0.00 0.00 179.25 180.10 2cfx h VAL 115 N 0.81 1.00 -0.56 0.00 2.07 -1.01 -1.40 116.25 117.16 2cfx h VAL 115 Ca 0.21 -0.09 0.05 0.00 0.82 0.00 0.00 66.70 67.68 2cfx h VAL 115 Cb 0.05 0.73 -0.05 0.00 -1.52 0.00 0.00 31.29 30.50 2cfx h VAL 115 CO -0.03 0.05 0.30 -0.08 0.02 0.00 0.00 177.57 177.83 2cfx h GLU 116 N 0.25 0.56 -0.64 1.57 4.81 -1.08 0.26 114.58 120.30 2cfx h GLU 116 Ca 0.09 -0.03 0.02 0.00 -0.13 0.00 0.00 59.36 59.31 2cfx h GLU 116 Cb 0.02 -0.13 -0.04 0.00 0.63 0.00 0.00 28.75 29.23 2cfx h GLU 116 CO -0.06 0.37 0.41 -0.44 -0.73 0.00 0.00 179.01 178.56 2cfx h ASP 117 N 0.58 0.69 -0.62 1.04 3.32 -1.20 -0.23 116.42 120.00 2cfx h ASP 117 Ca 0.25 -0.01 0.03 0.00 0.02 0.00 0.00 57.03 57.32 2cfx h ASP 117 Cb 0.13 -0.16 -0.04 0.00 0.22 0.00 0.00 39.33 39.48 2cfx h ASP 117 CO -0.16 0.49 0.38 0.15 -1.72 0.00 0.00 179.24 178.38 2cfx h PHE 118 N 0.82 0.70 -0.64 4.55 3.57 -0.37 0.19 116.94 125.76 2cfx h PHE 118 Ca 0.25 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.71 2cfx h PHE 118 Cb -0.03 -0.23 -0.03 0.00 2.79 0.00 0.00 35.95 38.45 2cfx h PHE 118 CO -0.04 0.40 0.16 0.82 -2.23 0.00 0.00 178.31 177.42 2cfx h ILE 119 N 0.74 1.26 -0.49 1.41 2.04 0.07 0.92 117.51 123.45 2cfx h ILE 119 Ca 0.25 -0.92 -0.06 0.00 1.00 0.00 0.00 64.86 65.13 2cfx h ILE 119 Cb 0.03 0.62 -0.02 0.00 -0.74 0.00 0.00 36.82 36.71 2cfx h ILE 119 CO -0.11 0.35 0.09 0.78 0.00 0.00 0.00 178.15 179.27 2cfx h ASN 120 N 0.95 0.77 0.75 1.72 2.35 -0.97 -2.66 115.58 118.50 2cfx h ASN 120 Ca 0.20 -0.25 -0.05 0.00 -0.55 0.00 0.00 56.30 55.65 2cfx h ASN 120 Cb 0.35 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.51 2cfx h ASN 120 CO 0.00 0.83 -0.25 0.11 -1.65 0.00 0.00 177.43 176.46 2cfx h LYS 121 N 0.69 0.00 0.00 0.81 6.56 -0.44 -3.16 116.57 121.03 2cfx h LYS 121 Ca 0.15 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.74 2cfx h LYS 121 Cb 0.38 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.04 2cfx h LYS 121 CO 0.01 0.25 -0.45 -2.37 -2.06 0.00 0.00 179.45 174.83 2cfx n THR 122 N -3.52 0.22 0.02 -0.16 5.66 0.27 -4.33 114.28 112.44 2cfx n THR 122 Ca -0.00 -0.15 -0.02 0.00 -3.05 0.00 0.00 64.05 60.82 2cfx n THR 122 Cb 0.41 -0.10 0.24 0.00 -1.55 0.00 0.00 70.33 69.33 2cfx n THR 122 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 175.07 172.30 2cfx h SER 123 N 0.00 0.47 -0.45 1.09 0.02 -1.44 -1.55 113.55 111.69 2cfx h SER 123 Ca 0.00 -0.13 0.13 0.00 -0.84 0.00 0.00 61.79 60.95 2cfx h SER 123 Cb 0.64 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 63.03 2cfx h SER 123 CO 0.00 0.66 0.33 -0.65 -1.14 0.00 0.00 176.83 176.03 2cfx h PRO 124 N 0.43 0.00 0.04 3.45 0.11 -1.80 -3.22 132.00 131.01 2cfx h PRO 124 Ca 0.08 0.00 -0.32 0.00 0.11 0.00 0.00 66.00 65.86 2cfx h PRO 124 Cb 0.55 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 31.62 2cfx h PRO 124 CO 0.04 0.00 -1.85 0.66 -0.21 0.00 0.00 178.00 176.63 2cfx n TYR 125 N -4.36 1.01 -3.57 0.65 4.02 -0.61 -4.84 117.16 109.46 2cfx n TYR 125 Ca 0.08 0.31 -0.16 0.00 -0.01 0.00 0.00 57.90 58.11 2cfx n TYR 125 Cb 0.54 -1.17 -0.07 0.00 -0.02 0.00 0.00 39.34 38.63 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 -2.58 -1.72 0.45 -0.72 0.00 -1.05 -0.87 121.76 115.26 2cfx s ALA 126 Ca -0.11 1.54 -0.21 0.00 0.00 0.00 0.00 51.96 53.18 2cfx s ALA 126 Cb 0.07 -0.44 -0.10 0.00 0.00 0.00 0.00 23.12 22.65 2cfx s ALA 126 CO 0.80 -0.35 0.98 -0.65 0.00 0.00 0.00 175.76 176.54 2cfx s GLN 127 N -0.59 4.10 0.03 0.00 -0.21 0.42 -4.07 119.66 119.34 2cfx s GLN 127 Ca -0.07 1.20 0.05 0.00 0.02 0.00 0.00 55.36 56.56 2cfx s GLN 127 Cb -0.02 -2.16 -0.02 0.00 1.00 0.00 0.00 33.01 31.81 2cfx s GLN 127 CO 0.06 -0.16 -0.14 0.95 -2.12 0.00 0.00 175.29 173.89 2cfx s THR 128 N -2.11 1.07 -0.18 -0.19 -4.23 -1.26 -0.16 115.64 108.57 2cfx s THR 128 Ca 0.64 -0.95 -0.02 0.00 -1.18 0.00 0.00 61.69 60.17 2cfx s THR 128 Cb -0.11 -0.97 -0.01 0.00 1.34 0.00 0.00 72.50 72.75 2cfx s THR 128 CO 0.15 0.01 -0.09 -0.69 -0.54 0.00 0.00 174.62 173.47 2cfx s VAL 129 N -0.81 3.14 -0.19 2.29 1.01 -0.52 -4.96 120.40 120.36 2cfx s VAL 129 Ca 0.01 -0.59 -0.03 0.00 0.00 0.00 0.00 61.98 61.37 2cfx s VAL 129 Cb -0.08 -2.38 -0.01 0.00 0.00 0.00 0.00 36.38 33.91 2cfx s VAL 129 CO 0.01 0.47 -0.07 -0.89 0.00 0.00 0.00 175.10 174.63 2cfx s THR 130 N 1.05 3.35 -0.28 3.92 2.01 -1.26 -0.85 115.64 123.57 2cfx s THR 130 Ca 0.00 -0.52 0.02 0.00 0.31 0.00 0.00 61.69 61.50 2cfx s THR 130 Cb -0.15 -2.48 0.07 0.00 0.01 0.00 0.00 72.50 69.95 2cfx s THR 130 CO -0.01 0.46 -0.05 -1.00 -0.69 0.00 0.00 174.62 173.32 2cfx s HIS 131 N 1.03 3.35 0.33 4.92 3.76 -0.12 -5.02 115.29 123.55 2cfx s HIS 131 Ca 0.00 -2.35 -0.28 0.00 -0.15 0.00 0.00 55.06 52.28 2cfx s HIS 131 Cb -0.15 -2.16 -0.10 0.00 1.11 0.00 0.00 32.58 31.29 2cfx s HIS 131 CO -0.00 -0.88 1.23 0.08 -0.85 0.00 0.00 174.74 174.32 2cfx s VAL 132 N 1.10 2.97 -0.17 -0.90 1.01 -1.26 -0.82 120.40 122.33 2cfx s VAL 132 Ca -0.05 0.96 -0.23 0.00 0.00 0.00 0.00 61.98 62.66 2cfx s VAL 132 Cb -0.20 -3.60 -0.02 0.00 0.00 0.00 0.00 36.38 32.56 2cfx s VAL 132 CO -0.05 0.21 0.72 -0.63 0.00 0.00 0.00 175.10 175.36 2cfx s ILE 133 N -1.18 4.96 0.07 2.22 1.01 -0.31 -4.87 121.20 123.10 2cfx s ILE 133 Ca 0.49 1.40 -0.07 0.00 0.00 0.00 0.00 60.65 62.47 2cfx s ILE 133 Cb -0.37 -4.04 -0.28 0.00 0.01 0.00 0.00 42.46 37.79 2cfx s ILE 133 CO 0.48 0.09 1.14 -0.26 0.00 0.00 0.00 174.94 176.39 2cfx h PHE 134 N 7.35 0.65 -1.99 3.97 0.05 -1.93 -3.44 116.94 121.60 2cfx h PHE 134 Ca -0.31 -0.45 0.31 0.00 3.82 0.00 0.00 57.97 61.34 2cfx h PHE 134 Cb 1.14 -0.04 -0.06 0.00 2.00 0.00 0.00 35.95 39.00 2cfx h PHE 134 CO 0.71 1.33 0.80 -1.13 -0.18 0.00 0.00 178.31 179.84 2cfx n SER 135 N -3.63 -1.01 -3.76 2.17 3.41 -1.26 -5.16 113.62 104.39 2cfx n SER 135 Ca -0.10 -1.18 -0.13 0.00 -0.26 0.00 0.00 58.87 57.20 2cfx n SER 135 Cb 1.00 1.56 -0.12 0.00 -0.26 0.00 0.00 64.21 66.38 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 -2.01 0.23 -0.05 4.33 2.12 -1.26 -5.14 118.70 116.92 2cfx s GLU 136 Ca 0.26 0.42 -0.23 0.00 0.36 0.00 0.00 54.97 55.79 2cfx s GLU 136 Cb -0.01 0.00 -0.04 0.00 0.26 0.00 0.00 34.13 34.34 2cfx s GLU 136 CO -0.01 -0.10 0.67 0.42 -0.54 0.00 0.00 175.26 175.70 2cfx s ILE 137 N 0.69 5.00 0.00 -3.70 1.01 -1.26 -5.05 121.20 117.89 2cfx s ILE 137 Ca -0.05 1.38 -0.30 0.00 0.00 0.00 0.00 60.65 61.69 2cfx s ILE 137 Cb -0.06 -4.01 -0.05 0.00 0.01 0.00 0.00 42.46 38.35 2cfx s ILE 137 CO -0.04 0.30 1.26 -1.81 0.00 0.00 0.00 174.94 174.65 2cfx s ASP 138 N 0.50 7.00 -0.22 3.58 1.01 -1.26 -4.91 116.67 122.38 2cfx s ASP 138 Ca 0.35 1.97 0.13 0.00 0.71 0.00 0.00 52.55 55.71 2cfx s ASP 138 Cb -0.18 -2.57 0.45 0.00 1.01 0.00 0.00 42.92 41.64 2cfx s ASP 138 CO 0.18 -0.58 1.35 0.35 0.21 0.00 0.00 175.17 176.67 2cfx n THR 139 N 4.39 2.29 1.74 -1.27 -2.24 -1.26 -5.37 114.28 112.55 2cfx n THR 139 Ca 0.11 -2.53 0.14 0.00 -2.27 0.00 0.00 64.05 59.50 2cfx n THR 139 Cb 0.45 -0.27 0.83 0.00 -2.10 0.00 0.00 70.33 69.24 2cfx n THR 139 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79