#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 1.36 -0.27 2.12 -2.85 -1.26 -5.09 119.74 113.75 2cfx s LYS 2 Ca 0.00 -0.64 0.02 0.00 -1.00 0.00 0.00 55.97 54.35 2cfx s LYS 2 Cb 0.00 -2.10 0.07 0.00 -2.06 0.00 0.00 37.83 33.74 2cfx s LYS 2 CO 0.00 -1.80 -0.03 -0.51 0.10 0.00 0.00 175.35 173.10 2cfx s LEU 3 N -5.47 3.24 0.70 2.77 1.02 -1.26 -5.10 118.68 114.58 2cfx s LEU 3 Ca 0.68 -1.48 -0.12 0.00 0.02 0.00 0.00 54.13 53.23 2cfx s LEU 3 Cb -0.06 -1.35 0.02 0.00 0.02 0.00 0.00 46.19 44.82 2cfx s LEU 3 CO 0.48 -0.27 1.08 1.51 0.02 0.00 0.00 176.35 179.17 2cfx s ASP 4 N 1.23 5.06 0.62 2.29 1.47 -1.26 -4.81 116.67 121.27 2cfx s ASP 4 Ca -0.02 1.79 0.31 0.00 1.18 0.00 0.00 52.55 55.81 2cfx s ASP 4 Cb -0.19 -2.52 1.67 0.00 -0.34 0.00 0.00 42.92 41.54 2cfx s ASP 4 CO -0.08 -1.66 2.01 -0.61 0.68 0.00 0.00 175.17 175.51 2cfx h GLN 5 N -0.57 0.00 -0.61 2.11 5.75 -1.99 0.22 115.11 120.01 2cfx h GLN 5 Ca -0.45 0.00 -0.09 0.00 -0.15 0.00 0.00 58.65 57.96 2cfx h GLN 5 Cb 1.23 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.75 2cfx h GLN 5 CO 0.54 0.00 0.02 0.82 -2.65 0.00 0.00 178.83 177.57 2cfx h ILE 6 N 0.00 1.27 -0.63 2.39 1.08 -1.98 0.27 117.51 119.91 2cfx h ILE 6 Ca 0.08 -1.12 -0.08 0.00 -0.39 0.00 0.00 64.86 63.34 2cfx h ILE 6 Cb 0.68 0.79 -0.02 0.00 -3.07 0.00 0.00 36.82 35.19 2cfx h ILE 6 CO -0.00 0.41 0.06 0.44 -0.69 0.00 0.00 178.15 178.37 2cfx h ASP 7 N 0.96 1.01 0.89 1.72 3.32 -0.91 0.88 116.42 124.29 2cfx h ASP 7 Ca 0.17 -0.26 -0.04 0.00 0.02 0.00 0.00 57.03 56.93 2cfx h ASP 7 Cb 0.53 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.81 2cfx h ASP 7 CO 0.03 1.03 -0.19 -0.07 -1.72 0.00 0.00 179.24 178.31 2cfx h LEU 8 N 0.98 0.00 -0.14 1.55 3.38 -1.27 -1.49 115.31 118.31 2cfx h LEU 8 Ca 0.19 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.99 2cfx h LEU 8 Cb 0.48 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.23 2cfx h LEU 8 CO 0.02 0.19 -0.55 0.78 0.09 0.00 0.00 178.44 178.97 2cfx h ASN 9 N 0.00 0.73 0.23 -0.43 4.21 0.18 -3.10 115.58 117.40 2cfx h ASN 9 Ca -0.00 -0.62 -0.01 0.00 1.21 0.00 0.00 56.30 56.88 2cfx h ASN 9 Cb 0.69 -0.21 0.00 0.00 -1.12 0.00 0.00 38.32 37.68 2cfx h ASN 9 CO 0.03 1.22 -0.11 0.40 -1.29 0.00 0.00 177.43 177.68 2cfx h ILE 10 N 0.28 0.85 -0.92 2.81 2.04 -0.63 -2.22 117.51 119.71 2cfx h ILE 10 Ca -0.03 -0.56 0.15 0.00 1.00 0.00 0.00 64.86 65.42 2cfx h ILE 10 Cb 1.18 1.17 -0.08 0.00 -0.74 0.00 0.00 36.82 38.35 2cfx h ILE 10 CO 0.12 0.12 0.59 0.40 0.00 0.00 0.00 178.15 179.38 2cfx h ILE 11 N -0.59 0.82 0.00 -0.67 2.04 -1.41 0.82 117.51 118.51 2cfx h ILE 11 Ca -0.03 -0.25 0.00 0.00 1.00 0.00 0.00 64.86 65.58 2cfx h ILE 11 Cb 0.43 0.04 0.00 0.00 -0.74 0.00 0.00 36.82 36.55 2cfx h ILE 11 CO 0.05 0.13 -1.03 1.21 0.00 0.00 0.00 178.15 178.51 2cfx n GLU 12 N -4.59 0.44 0.09 2.37 0.00 -1.17 -2.27 120.64 115.52 2cfx n GLU 12 Ca 0.18 0.04 -0.04 0.00 0.00 0.00 0.00 57.16 57.35 2cfx n GLU 12 Cb 0.48 -1.69 -0.04 0.00 0.00 0.00 0.00 31.44 30.18 2cfx n GLU 12 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.13 178.06 2cfx h GLU 13 N 0.00 0.00 0.02 5.31 4.39 -0.70 -3.26 114.58 120.34 2cfx h GLU 13 Ca 0.00 0.00 -0.24 0.00 0.34 0.00 0.00 59.36 59.46 2cfx h GLU 13 Cb 0.86 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.48 2cfx h GLU 13 CO 0.00 0.82 -1.16 -0.07 -1.16 0.00 0.00 179.01 177.44 2cfx h LEU 14 N 0.00 0.08 -1.44 1.33 3.38 -0.86 -3.07 115.31 114.72 2cfx h LEU 14 Ca -0.01 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 57.85 2cfx h LEU 14 Cb 1.59 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 42.29 2cfx h LEU 14 CO 0.11 1.07 0.13 0.11 0.09 0.00 0.00 178.44 179.95 2cfx h LYS 15 N 0.01 0.50 0.12 1.13 1.57 -1.56 -1.25 116.57 117.11 2cfx h LYS 15 Ca -0.08 -0.06 -0.28 0.00 -1.87 0.00 0.00 60.65 58.35 2cfx h LYS 15 Cb 1.85 -0.10 0.02 0.00 0.08 0.00 0.00 32.23 34.08 2cfx h LYS 15 CO 0.13 0.43 -1.23 0.87 -0.57 0.00 0.00 179.45 179.09 2cfx h LYS 16 N 0.50 0.43 -2.17 3.15 1.79 -1.63 -3.43 116.57 115.22 2cfx h LYS 16 Ca 0.12 -0.63 -0.22 0.00 -2.18 0.00 0.00 60.65 57.74 2cfx h LYS 16 Cb 0.12 0.22 -0.32 0.00 -1.58 0.00 0.00 32.23 30.67 2cfx h LYS 16 CO -0.01 1.28 -0.54 0.34 -1.08 0.00 0.00 179.45 179.43 2cfx s ASP 17 N -7.28 0.74 0.38 0.86 -1.08 -1.13 -5.01 116.67 104.14 2cfx s ASP 17 Ca -0.06 0.03 0.21 0.00 -0.52 0.00 0.00 52.55 52.20 2cfx s ASP 17 Cb 0.07 0.80 0.53 0.00 -1.46 0.00 0.00 42.92 42.85 2cfx s ASP 17 CO 0.90 -0.31 1.66 -1.28 0.52 0.00 0.00 175.17 176.66 2cfx h SER 18 N 8.24 0.00 -0.11 -0.34 0.87 -1.51 -3.36 113.55 117.34 2cfx h SER 18 Ca -0.18 0.00 -0.19 0.00 -1.23 0.00 0.00 61.79 60.18 2cfx h SER 18 Cb 1.15 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.12 2cfx h SER 18 CO 0.28 0.29 -0.65 0.03 -0.53 0.00 0.00 176.83 176.24 2cfx h ARG 19 N 0.00 0.73 -3.82 2.24 3.08 -1.95 -3.48 114.38 111.18 2cfx h ARG 19 Ca -0.00 -0.53 -0.50 0.00 0.07 0.00 0.00 59.98 59.02 2cfx h ARG 19 Cb 1.02 0.09 0.03 0.00 0.08 0.00 0.00 29.97 31.19 2cfx h ARG 19 CO 0.04 1.15 0.03 1.28 -1.07 0.00 0.00 179.97 181.40 2cfx n LEU 20 N -3.95 -0.02 -4.83 3.04 4.77 -1.26 -4.96 117.00 109.79 2cfx n LEU 20 Ca -0.05 0.74 -0.32 0.00 -0.03 0.00 0.00 56.01 56.35 2cfx n LEU 20 Cb 0.68 -0.59 0.01 0.00 -2.33 0.00 0.00 43.42 41.19 2cfx n LEU 20 CO 0.50 -1.23 0.71 -0.94 -1.33 0.00 0.00 177.39 175.11 2cfx s SER 21 N -0.01 5.95 0.47 -1.43 1.04 -1.26 -4.87 113.70 113.59 2cfx s SER 21 Ca 0.58 1.59 0.14 0.00 0.48 0.00 0.00 55.95 58.74 2cfx s SER 21 Cb -0.81 -2.50 1.07 0.00 0.10 0.00 0.00 66.02 63.89 2cfx s SER 21 CO 0.36 -1.06 2.06 0.24 0.98 0.00 0.00 173.24 175.83 2cfx h MET 22 N -0.04 0.10 0.00 4.02 0.00 -1.93 -1.50 114.93 115.58 2cfx h MET 22 Ca -0.45 -0.01 -0.01 0.00 0.00 0.00 0.00 59.70 59.22 2cfx h MET 22 Cb 1.20 -0.02 -0.00 0.00 0.00 0.00 0.00 31.60 32.78 2cfx h MET 22 CO 0.59 0.15 -0.06 0.00 0.00 0.00 0.00 176.91 177.59 2cfx h ARG 23 N 0.10 0.00 0.00 1.72 -0.00 -1.93 0.12 114.38 114.39 2cfx h ARG 23 Ca 0.02 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.50 2cfx h ARG 23 Cb 0.14 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.11 2cfx h ARG 23 CO 0.01 0.06 -1.18 -0.85 0.00 0.00 0.00 179.97 178.01 2cfx n GLU 24 N -3.47 0.53 0.14 0.04 0.28 -0.61 -4.10 120.64 113.44 2cfx n GLU 24 Ca -0.02 -0.05 -0.24 0.00 -0.16 0.00 0.00 57.16 56.69 2cfx n GLU 24 Cb 0.19 -1.44 -0.16 0.00 1.43 0.00 0.00 31.44 31.46 2cfx n GLU 24 CO 0.00 0.00 0.00 1.25 -0.16 0.00 0.00 177.13 178.22 2cfx h LEU 25 N 0.00 0.82 -2.53 -1.84 5.85 -1.11 -3.17 115.31 113.33 2cfx h LEU 25 Ca 0.00 -0.92 0.00 0.00 0.84 0.00 0.00 57.88 57.80 2cfx h LEU 25 Cb 0.58 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 41.34 2cfx h LEU 25 CO 0.00 1.68 0.00 0.61 -0.34 0.00 0.00 178.44 180.39 2cfx n GLY 26 N 1.71 2.10 0.00 3.75 0.00 0.41 -2.14 105.19 111.01 2cfx n GLY 26 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.85 2cfx n GLY 26 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2cfx n ARG 27 N 1.03 1.34 -0.06 1.61 -4.01 -1.25 -3.68 116.66 111.65 2cfx n ARG 27 Ca 0.00 0.00 -0.02 0.00 -1.04 0.00 0.00 57.85 56.79 2cfx n ARG 27 Cb 0.46 -0.11 -0.01 0.00 -3.04 0.00 0.00 32.46 29.76 2cfx n ARG 27 CO 0.00 0.00 0.00 1.57 -3.04 0.00 0.00 177.63 176.16 2cfx h LYS 28 N 0.00 0.00 -0.73 2.89 2.10 -1.48 -3.37 116.57 115.99 2cfx h LYS 28 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2cfx h LYS 28 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 2cfx h LYS 28 CO 0.00 0.00 0.00 0.44 -2.00 0.00 0.00 179.45 177.89 2cfx n ILE 29 N -4.49 0.28 -3.04 0.07 -5.35 -0.91 -4.92 119.36 101.00 2cfx n ILE 29 Ca -0.03 -0.16 -0.05 0.00 -0.27 0.00 0.00 62.75 62.24 2cfx n ILE 29 Cb 0.12 -0.34 0.00 0.00 -1.74 0.00 0.00 39.64 37.68 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 -0.01 -0.45 -2.66 6.28 -0.00 -1.26 -4.98 118.16 115.08 2cfx n LYS 30 Ca 0.03 -0.06 -0.08 0.00 -0.00 0.00 0.00 58.31 58.20 2cfx n LYS 30 Cb 0.29 -0.09 -0.02 0.00 -0.00 0.00 0.00 35.03 35.22 2cfx n LYS 30 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 2cfx n LEU 31 N -1.05 0.00 -4.62 -5.58 4.77 -1.24 -4.95 117.00 104.33 2cfx n LEU 31 Ca -0.04 -0.80 -0.35 0.00 -0.03 0.00 0.00 56.01 54.80 2cfx n LEU 31 Cb 0.10 0.13 -0.10 0.00 -2.33 0.00 0.00 43.42 41.21 2cfx n LEU 31 CO 0.10 -0.11 -0.25 -0.94 -1.33 0.00 0.00 177.39 174.85 2cfx s SER 32 N -1.69 5.57 0.46 -1.43 1.04 -1.26 -4.35 113.70 112.04 2cfx s SER 32 Ca 0.01 0.05 0.22 0.00 0.48 0.00 0.00 55.95 56.72 2cfx s SER 32 Cb 0.00 -1.96 0.76 0.00 0.10 0.00 0.00 66.02 64.92 2cfx s SER 32 CO 0.01 0.16 1.00 -2.65 0.98 0.00 0.00 173.24 172.74 2cfx n PRO 33 N 3.65 0.01 0.03 4.02 -0.02 -1.26 0.16 135.00 141.58 2cfx n PRO 33 Ca -0.16 0.78 0.01 0.00 -2.02 0.00 0.00 63.50 62.10 2cfx n PRO 33 Cb 0.52 -1.92 -0.09 0.00 -0.02 0.00 0.00 33.50 31.99 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 -2.84 0.63 0.00 0.52 -0.05 -1.26 -4.28 135.00 127.71 2cfx n PRO 34 Ca 0.20 0.17 -0.18 0.00 -0.05 0.00 0.00 63.50 63.63 2cfx n PRO 34 Cb 1.21 -1.77 -0.09 0.00 -0.05 0.00 0.00 33.50 32.79 2cfx n PRO 34 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 175.50 176.11 2cfx h SER 35 N 0.00 0.77 0.82 3.54 4.64 0.11 -3.26 113.55 120.18 2cfx h SER 35 Ca -0.16 -0.70 -0.04 0.00 -0.47 0.00 0.00 61.79 60.42 2cfx h SER 35 Cb 1.54 -0.23 -0.00 0.00 -0.31 0.00 0.00 62.40 63.39 2cfx h SER 35 CO 0.04 1.36 -0.48 0.58 -0.87 0.00 0.00 176.83 177.45 2cfx h VAL 36 N 0.26 0.00 -1.51 0.95 2.07 -1.56 -2.82 116.25 113.64 2cfx h VAL 36 Ca -0.08 0.00 0.47 0.00 0.82 0.00 0.00 66.70 67.91 2cfx h VAL 36 Cb 1.43 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 31.10 2cfx h VAL 36 CO 0.15 0.00 1.03 0.35 0.02 0.00 0.00 177.57 179.13 2cfx n THR 37 N -5.54 -0.12 0.03 2.57 -2.24 -1.25 -0.98 114.28 106.75 2cfx n THR 37 Ca -0.15 1.49 -0.09 0.00 -2.27 0.00 0.00 64.05 63.04 2cfx n THR 37 Cb 0.50 -2.47 -0.06 0.00 -2.10 0.00 0.00 70.33 66.20 2cfx n THR 37 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 2cfx h GLU 38 N 0.00 -0.18 -0.15 -0.78 4.57 -1.55 -2.80 114.58 113.68 2cfx h GLU 38 Ca 0.82 0.01 0.05 0.00 -1.18 0.00 0.00 59.36 59.06 2cfx h GLU 38 Cb 2.98 0.04 -0.07 0.00 -0.16 0.00 0.00 28.75 31.54 2cfx h GLU 38 CO -0.22 0.21 -0.32 0.00 -1.18 0.00 0.00 179.01 177.50 2cfx h ARG 39 N -0.95 -0.37 -0.46 1.92 3.08 -0.82 -0.66 114.38 116.13 2cfx h ARG 39 Ca -0.02 0.03 0.13 0.00 0.07 0.00 0.00 59.98 60.19 2cfx h ARG 39 Cb 0.47 0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.59 2cfx h ARG 39 CO 0.03 -0.24 0.40 0.28 -1.07 0.00 0.00 179.97 179.37 2cfx h VAL 40 N -0.38 0.54 0.09 2.04 2.07 -1.57 0.70 116.25 119.74 2cfx h VAL 40 Ca 0.10 0.00 -0.29 0.00 0.82 0.00 0.00 66.70 67.33 2cfx h VAL 40 Cb 0.54 0.70 0.02 0.00 -1.52 0.00 0.00 31.29 31.04 2cfx h VAL 40 CO -0.37 0.00 -1.20 0.03 0.02 0.00 0.00 177.57 176.06 2cfx h ARG 41 N 0.00 0.60 0.00 1.57 -0.00 -0.87 -2.70 114.38 112.98 2cfx h ARG 41 Ca 0.22 -0.78 -0.07 0.00 -0.50 0.00 0.00 59.98 58.85 2cfx h ARG 41 Cb 1.02 0.25 -0.01 0.00 0.00 0.00 0.00 29.97 31.23 2cfx h ARG 41 CO -0.00 1.34 -0.34 -0.56 0.00 0.00 0.00 179.97 180.41 2cfx h GLN 42 N 0.28 0.00 0.03 0.04 3.07 -0.39 -2.84 115.11 115.30 2cfx h GLN 42 Ca -0.17 0.00 -0.00 0.00 0.09 0.00 0.00 58.65 58.57 2cfx h GLN 42 Cb 1.87 0.00 0.00 0.00 0.08 0.00 0.00 27.48 29.43 2cfx h GLN 42 CO 0.23 0.34 -0.01 -0.07 0.09 0.00 0.00 178.83 179.40 2cfx h LEU 43 N 0.00 -0.03 -0.57 0.06 3.38 -0.85 -2.31 115.31 114.98 2cfx h LEU 43 Ca -0.00 -0.31 -0.00 0.00 0.09 0.00 0.00 57.88 57.65 2cfx h LEU 43 Cb 1.15 0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.88 2cfx h LEU 43 CO 0.04 0.30 0.35 -0.33 0.09 0.00 0.00 178.44 178.89 2cfx h GLU 44 N -0.36 0.78 -0.11 1.13 5.08 -1.52 -1.99 114.58 117.58 2cfx h GLU 44 Ca -0.00 -0.07 -0.18 0.00 -1.00 0.00 0.00 59.36 58.11 2cfx h GLU 44 Cb 0.34 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.42 2cfx h GLU 44 CO 0.01 0.56 -0.67 0.66 -1.00 0.00 0.00 179.01 178.56 2cfx h SER 45 N 0.77 0.52 1.15 1.42 4.64 -1.56 -2.45 113.55 118.04 2cfx h SER 45 Ca 0.21 -0.32 0.00 0.00 -0.47 0.00 0.00 61.79 61.21 2cfx h SER 45 Cb -0.02 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 61.92 2cfx h SER 45 CO -0.04 1.04 -0.09 0.49 -0.87 0.00 0.00 176.83 177.36 2cfx n PHE 46 N -3.88 0.44 -0.46 4.77 0.99 -0.87 -4.96 117.46 113.49 2cfx n PHE 46 Ca -0.04 0.13 0.00 0.00 -0.00 0.00 0.00 57.45 57.54 2cfx n PHE 46 Cb 0.67 -0.68 0.00 0.00 -1.00 0.00 0.00 39.48 38.47 2cfx n PHE 46 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 2cfx n GLY 47 N 1.41 0.76 0.14 1.37 0.00 -0.91 -4.96 105.19 102.99 2cfx n GLY 47 Ca 0.06 -0.12 -0.13 0.00 0.00 0.00 0.00 46.02 45.83 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 0.94 -3.51 -0.61 5.03 -1.63 -3.36 117.51 114.36 2cfx h ILE 48 Ca 0.00 -0.73 -0.59 0.00 -0.12 0.00 0.00 64.86 63.42 2cfx h ILE 48 Cb 0.00 1.36 -0.09 0.00 -3.03 0.00 0.00 36.82 35.06 2cfx h ILE 48 CO 0.00 0.16 0.64 -0.63 -0.68 0.00 0.00 178.15 177.64 2cfx s ILE 49 N -4.62 4.54 -0.05 -0.67 1.01 -1.09 -4.93 121.20 115.40 2cfx s ILE 49 Ca -0.14 1.19 0.09 0.00 0.00 0.00 0.00 60.65 61.78 2cfx s ILE 49 Cb 0.02 -4.37 -0.24 0.00 0.01 0.00 0.00 42.46 37.89 2cfx s ILE 49 CO 0.59 -0.59 0.65 0.11 0.00 0.00 0.00 174.94 175.70 2cfx h LYS 50 N 8.56 0.05 -1.30 2.79 1.57 -1.91 -3.40 116.57 122.94 2cfx h LYS 50 Ca -0.23 -0.09 0.17 0.00 -1.87 0.00 0.00 60.65 58.63 2cfx h LYS 50 Cb 1.08 0.03 -0.25 0.00 0.08 0.00 0.00 32.23 33.17 2cfx h LYS 50 CO 1.00 0.65 0.76 -1.14 -0.57 0.00 0.00 179.45 180.15 2cfx s GLN 51 N -2.60 0.31 -0.29 3.15 0.74 -1.26 -5.13 119.66 114.59 2cfx s GLN 51 Ca -0.07 0.08 -0.07 0.00 0.05 0.00 0.00 55.36 55.34 2cfx s GLN 51 Cb 0.08 0.15 0.00 0.00 1.10 0.00 0.00 33.01 34.34 2cfx s GLN 51 CO 0.82 -0.10 0.08 0.71 -0.55 0.00 0.00 175.29 176.25 2cfx s TYR 52 N -1.07 3.14 0.22 1.67 1.51 -1.26 -5.06 117.35 116.50 2cfx s TYR 52 Ca 0.04 -0.89 0.03 0.00 -1.01 0.00 0.00 57.07 55.24 2cfx s TYR 52 Cb -0.01 -2.25 -0.01 0.00 -0.11 0.00 0.00 41.96 39.58 2cfx s TYR 52 CO -0.03 -0.54 0.12 -2.37 -1.11 0.00 0.00 175.55 171.61 2cfx n THR 53 N 4.88 0.00 -4.35 -0.71 5.66 -1.26 -5.14 114.28 113.37 2cfx n THR 53 Ca -0.15 -1.39 -0.20 0.00 -3.05 0.00 0.00 64.05 59.26 2cfx n THR 53 Cb 0.48 0.59 -0.16 0.00 -1.55 0.00 0.00 70.33 69.69 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 1.67 -0.21 1.09 2.96 -1.26 -4.94 118.68 117.99 2cfx s LEU 54 Ca 0.17 -0.18 -0.09 0.00 -0.22 0.00 0.00 54.13 53.81 2cfx s LEU 54 Cb 0.01 -0.54 -0.04 0.00 0.50 0.00 0.00 46.19 46.11 2cfx s LEU 54 CO 0.12 0.03 0.11 -0.70 -1.32 0.00 0.00 176.35 174.59 2cfx s GLU 55 N 0.40 3.99 0.13 1.98 2.12 -1.26 -5.09 118.70 120.97 2cfx s GLU 55 Ca -0.06 -0.32 0.10 0.00 0.36 0.00 0.00 54.97 55.05 2cfx s GLU 55 Cb -0.11 -3.37 -0.04 0.00 0.26 0.00 0.00 34.13 30.87 2cfx s GLU 55 CO 0.01 0.13 -0.23 0.54 -0.54 0.00 0.00 175.26 175.17 2cfx s VAL 56 N 0.80 2.54 -0.52 3.70 0.11 -1.26 -5.09 120.40 120.68 2cfx s VAL 56 Ca 0.06 -1.65 -0.21 0.00 -2.93 0.00 0.00 61.98 57.24 2cfx s VAL 56 Cb -0.13 -2.15 0.05 0.00 -1.53 0.00 0.00 36.38 32.62 2cfx s VAL 56 CO 0.02 0.09 0.76 -0.62 -3.33 0.00 0.00 175.10 172.02 2cfx s ASP 57 N -2.12 6.28 0.53 3.54 -1.08 -1.26 -4.98 116.67 117.59 2cfx s ASP 57 Ca 0.16 -0.62 0.25 0.00 -0.52 0.00 0.00 52.55 51.82 2cfx s ASP 57 Cb -0.10 -2.35 1.48 0.00 -1.46 0.00 0.00 42.92 40.48 2cfx s ASP 57 CO 0.08 -1.02 2.13 1.56 0.52 0.00 0.00 175.17 178.43 2cfx h GLN 58 N 9.12 0.00 -0.19 4.34 1.08 -1.97 -2.81 115.11 124.68 2cfx h GLN 58 Ca -0.27 0.00 -0.09 0.00 -1.45 0.00 0.00 58.65 56.85 2cfx h GLN 58 Cb 1.09 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.51 2cfx h GLN 58 CO 1.01 0.08 -0.22 0.87 -0.95 0.00 0.00 178.83 179.62 2cfx h LYS 59 N 0.00 0.48 0.00 1.46 6.56 -1.91 0.13 116.57 123.29 2cfx h LYS 59 Ca -0.00 -0.26 -0.01 0.00 -1.06 0.00 0.00 60.65 59.31 2cfx h LYS 59 Cb 0.19 0.02 -0.00 0.00 -0.57 0.00 0.00 32.23 31.87 2cfx h LYS 59 CO 0.01 0.85 -0.05 0.87 -2.06 0.00 0.00 179.45 179.07 2cfx h LYS 60 N 0.14 0.00 -0.67 3.15 1.57 -1.83 -0.32 116.57 118.60 2cfx h LYS 60 Ca 0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 2cfx h LYS 60 Cb 0.78 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.09 2cfx h LYS 60 CO 0.05 0.05 0.00 1.28 -0.57 0.00 0.00 179.45 180.26 2cfx n LEU 61 N -3.48 2.76 -0.01 2.94 4.77 -1.15 -4.92 117.00 117.91 2cfx n LEU 61 Ca -0.02 -1.39 -0.00 0.00 -0.03 0.00 0.00 56.01 54.56 2cfx n LEU 61 Cb 0.16 -0.48 -0.00 0.00 -2.33 0.00 0.00 43.42 40.78 2cfx n LEU 61 CO 0.26 0.43 -0.00 0.61 -1.33 0.00 0.00 177.39 177.37 2cfx n GLY 62 N 0.51 0.42 3.02 -0.72 0.00 -0.13 -4.99 105.19 103.31 2cfx n GLY 62 Ca 0.12 -0.02 -0.36 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 -0.01 4.42 0.07 0.99 4.77 0.45 -4.24 117.00 123.45 2cfx n LEU 63 Ca -0.00 -5.18 0.13 0.00 -0.03 0.00 0.00 56.01 50.93 2cfx n LEU 63 Cb 0.08 -1.07 0.47 0.00 -2.33 0.00 0.00 43.42 40.57 2cfx n LEU 63 CO 0.00 1.64 0.90 -0.81 -1.33 0.00 0.00 177.39 177.79 2cfx n PRO 64 N 2.01 0.17 -4.10 3.23 -0.04 -1.08 -3.61 135.00 131.58 2cfx n PRO 64 Ca 0.23 0.18 -0.35 0.00 -0.04 0.00 0.00 63.50 63.52 2cfx n PRO 64 Cb 0.37 -1.71 -0.10 0.00 -0.04 0.00 0.00 33.50 32.02 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 -3.09 4.65 0.07 0.52 1.01 -0.46 -4.91 120.40 118.19 2cfx s VAL 65 Ca 0.11 -0.09 0.08 0.00 0.00 0.00 0.00 61.98 62.07 2cfx s VAL 65 Cb 0.14 -3.06 -0.03 0.00 0.00 0.00 0.00 36.38 33.42 2cfx s VAL 65 CO 0.54 0.49 -0.21 -0.44 0.00 0.00 0.00 175.10 175.49 2cfx s SER 66 N 0.11 2.50 0.01 3.32 0.01 -1.26 0.11 113.70 118.49 2cfx s SER 66 Ca 0.04 -0.59 -0.01 0.00 1.31 0.00 0.00 55.95 56.70 2cfx s SER 66 Cb -0.12 -0.18 -0.01 0.00 0.21 0.00 0.00 66.02 65.92 2cfx s SER 66 CO 0.01 0.12 0.00 0.00 0.41 0.00 0.00 173.24 173.78 2cfx s ILE 68 N -1.04 5.18 -0.11 0.00 -1.09 0.21 -1.77 121.20 122.57 2cfx s ILE 68 Ca -0.11 0.99 0.03 0.00 -2.23 0.00 0.00 60.65 59.33 2cfx s ILE 68 Cb -0.07 -3.83 0.01 0.00 -1.58 0.00 0.00 42.46 36.98 2cfx s ILE 68 CO -0.00 0.32 -0.21 -0.69 -1.23 0.00 0.00 174.94 173.13 2cfx s VAL 69 N 0.63 1.87 -0.09 2.92 1.01 0.24 -0.90 120.40 126.08 2cfx s VAL 69 Ca 0.27 -0.88 -0.19 0.00 0.00 0.00 0.00 61.98 61.17 2cfx s VAL 69 Cb -0.15 -1.64 -0.04 0.00 0.00 0.00 0.00 36.38 34.54 2cfx s VAL 69 CO 0.11 0.51 0.54 -1.61 0.00 0.00 0.00 175.10 174.65 2cfx s GLU 70 N 0.65 4.34 -0.08 2.72 2.02 -0.34 -0.99 118.70 127.01 2cfx s GLU 70 Ca -0.12 0.58 0.02 0.00 0.02 0.00 0.00 54.97 55.47 2cfx s GLU 70 Cb -0.16 -3.42 -0.02 0.00 0.10 0.00 0.00 34.13 30.63 2cfx s GLU 70 CO 0.03 0.19 -0.15 0.00 0.02 0.00 0.00 175.26 175.36 2cfx s ALA 71 N 0.46 2.61 -0.18 5.21 0.00 0.17 -0.96 121.76 129.07 2cfx s ALA 71 Ca 0.29 -0.95 0.01 0.00 0.00 0.00 0.00 51.96 51.31 2cfx s ALA 71 Cb -0.16 -1.05 0.03 0.00 0.00 0.00 0.00 23.12 21.95 2cfx s ALA 71 CO 0.13 0.42 -0.12 -0.08 0.00 0.00 0.00 175.76 176.11 2cfx s THR 72 N -0.24 1.65 0.29 0.00 -1.32 0.11 -0.59 115.64 115.54 2cfx s THR 72 Ca 0.01 -0.89 -0.30 0.00 -1.21 0.00 0.00 61.69 59.30 2cfx s THR 72 Cb -0.13 -1.65 -0.10 0.00 -1.51 0.00 0.00 72.50 69.10 2cfx s THR 72 CO 0.03 0.28 1.46 -0.69 -2.21 0.00 0.00 174.62 173.49 2cfx s VAL 73 N 1.42 2.45 0.25 5.08 1.01 -1.26 -0.76 120.40 128.58 2cfx s VAL 73 Ca 0.01 0.40 -0.03 0.00 0.00 0.00 0.00 61.98 62.36 2cfx s VAL 73 Cb -0.15 -3.25 -0.05 0.00 0.00 0.00 0.00 36.38 32.93 2cfx s VAL 73 CO -0.09 0.07 0.48 -0.54 0.00 0.00 0.00 175.10 175.02 2cfx s LYS 74 N -0.84 3.59 -1.36 2.72 1.02 -0.20 -4.46 119.74 120.22 2cfx s LYS 74 Ca 0.58 -0.12 0.00 0.00 0.02 0.00 0.00 55.97 56.45 2cfx s LYS 74 Cb -0.43 -2.73 0.00 0.00 -0.52 0.00 0.00 37.83 34.15 2cfx s LYS 74 CO 0.48 0.30 0.00 0.09 -0.92 0.00 0.00 175.35 175.30 2cfx n ASN 75 N -0.75 -4.59 -2.59 2.83 3.02 -1.26 -2.30 115.26 109.61 2cfx n ASN 75 Ca -0.03 0.32 -0.17 0.00 -0.03 0.00 0.00 54.58 54.66 2cfx n ASN 75 Cb 0.54 -3.22 -0.00 0.00 -0.61 0.00 0.00 39.78 36.49 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 1.24 -0.78 -3.81 5.41 0.00 -1.26 -4.90 120.51 116.41 2cfx n ALA 76 Ca -0.13 0.14 -0.30 0.00 0.00 0.00 0.00 53.44 53.15 2cfx n ALA 76 Cb 0.43 -2.15 -0.10 0.00 0.00 0.00 0.00 19.45 17.62 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 -2.01 3.41 -0.26 0.00 -0.08 -0.97 -4.89 116.55 111.75 2cfx n ASP 77 Ca -0.16 -3.21 -0.07 0.00 -1.51 0.00 0.00 54.79 49.84 2cfx n ASP 77 Cb 0.63 -0.84 0.05 0.00 2.34 0.00 0.00 41.12 43.30 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 5.49 1.16 -0.10 -0.67 -1.99 -1.90 -3.07 116.97 115.88 2cfx h TYR 78 Ca 0.16 -0.12 -0.01 0.00 2.00 0.00 0.00 58.73 60.76 2cfx h TYR 78 Cb 0.76 -0.33 -0.00 0.00 2.00 0.00 0.00 36.73 39.16 2cfx h TYR 78 CO 0.70 0.93 0.03 0.93 -0.00 0.00 0.00 178.16 180.75 2cfx h GLU 79 N 1.05 0.15 -0.42 4.88 3.07 -2.00 -0.59 114.58 120.73 2cfx h GLU 79 Ca 0.23 -0.03 0.07 0.00 -0.50 0.00 0.00 59.36 59.12 2cfx h GLU 79 Cb 0.33 -0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 28.19 2cfx h GLU 79 CO -0.00 0.29 0.29 -0.09 -1.40 0.00 0.00 179.01 178.10 2cfx h ARG 80 N -0.02 0.26 0.17 2.33 2.43 -1.98 -1.17 114.38 116.39 2cfx h ARG 80 Ca 0.03 -0.02 -0.28 0.00 -0.81 0.00 0.00 59.98 58.90 2cfx h ARG 80 Cb 0.21 -0.06 0.03 0.00 -0.42 0.00 0.00 29.97 29.73 2cfx h ARG 80 CO -0.00 0.17 -1.21 0.35 -1.51 0.00 0.00 179.97 177.77 2cfx h PHE 81 N 0.27 0.89 0.07 2.20 3.57 -1.33 -2.05 116.94 120.56 2cfx h PHE 81 Ca 0.19 -0.61 -0.00 0.00 3.53 0.00 0.00 57.97 61.08 2cfx h PHE 81 Cb 0.40 -0.05 0.00 0.00 2.79 0.00 0.00 35.95 39.09 2cfx h PHE 81 CO -0.00 1.46 -0.03 -0.22 -2.23 0.00 0.00 178.31 177.29 2cfx h LYS 82 N 0.07 -0.09 -0.69 1.11 3.64 -1.01 0.18 116.57 119.78 2cfx h LYS 82 Ca -0.20 0.01 0.10 0.00 -1.27 0.00 0.00 60.65 59.29 2cfx h LYS 82 Cb 1.92 0.02 -0.08 0.00 -0.41 0.00 0.00 32.23 33.69 2cfx h LYS 82 CO 0.23 -0.01 0.32 0.77 -2.27 0.00 0.00 179.45 178.48 2cfx h SER 83 N -0.14 0.38 0.46 4.20 0.02 -1.25 0.19 113.55 117.41 2cfx h SER 83 Ca -0.01 0.07 -0.02 0.00 -0.84 0.00 0.00 61.79 60.99 2cfx h SER 83 Cb 0.12 0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.68 2cfx h SER 83 CO 0.02 0.21 -0.22 0.22 -1.14 0.00 0.00 176.83 175.91 2cfx h TYR 84 N 0.53 -0.58 -0.98 3.45 3.20 -1.18 -2.83 116.97 118.58 2cfx h TYR 84 Ca 0.35 -0.01 0.17 0.00 3.14 0.00 0.00 58.73 62.37 2cfx h TYR 84 Cb 0.42 0.19 -0.10 0.00 1.54 0.00 0.00 36.73 38.78 2cfx h TYR 84 CO -0.13 -0.32 0.59 0.82 -1.64 0.00 0.00 178.16 177.48 2cfx h ILE 85 N -0.70 0.76 0.00 1.81 1.08 -0.31 -2.00 117.51 118.16 2cfx h ILE 85 Ca -0.06 -0.28 0.00 0.00 -0.39 0.00 0.00 64.86 64.13 2cfx h ILE 85 Cb 0.51 -0.11 0.00 0.00 -3.07 0.00 0.00 36.82 34.15 2cfx h ILE 85 CO 0.10 0.15 0.00 1.56 -0.69 0.00 0.00 178.15 179.27 2cfx h GLN 86 N 0.81 0.00 -0.43 2.37 4.20 -0.38 -2.15 115.11 119.53 2cfx h GLN 86 Ca 0.54 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.25 2cfx h GLN 86 Cb 0.76 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.54 2cfx h GLN 86 CO -0.35 0.00 0.00 0.25 -0.67 0.00 0.00 178.83 178.06 2cfx n THR 87 N -2.42 0.61 -4.56 -0.54 -2.24 -0.75 -4.94 114.28 99.44 2cfx n THR 87 Ca 0.02 -0.49 -0.34 0.00 -2.27 0.00 0.00 64.05 60.97 2cfx n THR 87 Cb 0.25 0.12 -0.12 0.00 -2.10 0.00 0.00 70.33 68.49 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 -1.05 3.18 0.37 3.22 1.43 -0.81 -5.10 118.68 119.91 2cfx s LEU 88 Ca 0.23 -0.07 -0.18 0.00 -1.03 0.00 0.00 54.13 53.08 2cfx s LEU 88 Cb 0.13 -1.72 -0.10 0.00 0.03 0.00 0.00 46.19 44.54 2cfx s LEU 88 CO 0.14 0.29 0.83 -2.16 0.23 0.00 0.00 176.35 175.68 2cfx s PRO 89 N -0.34 4.12 -0.16 1.29 0.04 -1.26 -4.41 135.00 134.27 2cfx s PRO 89 Ca 0.05 0.88 0.00 0.00 0.04 0.00 0.00 61.00 61.97 2cfx s PRO 89 Cb -0.12 -2.34 0.00 0.00 0.04 0.00 0.00 34.50 32.07 2cfx s PRO 89 CO 0.02 0.09 0.00 0.09 0.04 0.00 0.00 177.00 177.24 2cfx n ASN 90 N -0.44 -2.60 -4.37 6.66 3.02 -1.26 -4.92 115.26 111.34 2cfx n ASN 90 Ca 0.05 0.03 -0.45 0.00 -0.03 0.00 0.00 54.58 54.17 2cfx n ASN 90 Cb 0.53 -0.83 -0.04 0.00 -0.61 0.00 0.00 39.78 38.83 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 -2.07 4.97 0.18 2.41 -1.09 -1.26 -1.51 121.20 122.83 2cfx s ILE 91 Ca 0.00 -1.38 -0.13 0.00 -2.23 0.00 0.00 60.65 56.92 2cfx s ILE 91 Cb 0.00 -4.53 0.09 0.00 -1.58 0.00 0.00 42.46 36.44 2cfx s ILE 91 CO 0.00 -1.16 1.82 -0.08 -1.23 0.00 0.00 174.94 174.29 2cfx h GLU 92 N 8.87 0.81 -3.68 2.79 4.81 -1.39 -3.46 114.58 123.33 2cfx h GLU 92 Ca -0.15 -0.07 -0.07 0.00 -0.13 0.00 0.00 59.36 58.93 2cfx h GLU 92 Cb 1.07 -0.17 -0.12 0.00 0.63 0.00 0.00 28.75 30.16 2cfx h GLU 92 CO 1.04 0.58 -0.20 -0.59 -0.73 0.00 0.00 179.01 179.11 2cfx s PHE 93 N -6.00 0.21 -0.27 0.92 -0.12 -1.24 -4.97 117.98 106.50 2cfx s PHE 93 Ca -0.13 -0.57 -0.01 0.00 -0.05 0.00 0.00 56.93 56.18 2cfx s PHE 93 Cb 0.13 0.10 0.14 0.00 -0.63 0.00 0.00 43.02 42.76 2cfx s PHE 93 CO 0.76 -0.78 0.34 0.00 -0.05 0.00 0.00 175.22 175.50 2cfx s TYR 95 N 2.46 3.49 -0.14 0.00 1.51 0.00 -4.94 117.35 119.73 2cfx s TYR 95 Ca 0.10 0.41 -0.27 0.00 -1.01 0.00 0.00 57.07 56.31 2cfx s TYR 95 Cb -0.14 -2.01 -0.01 0.00 -0.11 0.00 0.00 41.96 39.69 2cfx s TYR 95 CO -0.26 0.54 0.88 0.50 -1.11 0.00 0.00 175.55 176.10 2cfx s ARG 96 N -0.49 4.35 0.18 -0.62 6.06 -1.26 -1.50 118.95 125.66 2cfx s ARG 96 Ca 0.12 1.13 0.11 0.00 -2.50 0.00 0.00 55.73 54.59 2cfx s ARG 96 Cb -0.12 -3.56 -0.04 0.00 0.06 0.00 0.00 34.95 31.29 2cfx s ARG 96 CO 0.02 -0.30 -0.24 0.96 -2.50 0.00 0.00 175.30 173.24 2cfx s ILE 97 N 2.03 2.28 0.16 4.11 -4.36 0.08 -4.98 121.20 120.52 2cfx s ILE 97 Ca 0.42 -1.97 -0.22 0.00 -0.26 0.00 0.00 60.65 58.61 2cfx s ILE 97 Cb -0.17 -2.07 -0.08 0.00 1.25 0.00 0.00 42.46 41.39 2cfx s ILE 97 CO 0.14 -0.10 0.71 0.00 0.24 0.00 0.00 174.94 175.94 2cfx s ALA 98 N -1.59 3.47 0.00 2.27 0.00 -1.26 -4.69 121.76 119.96 2cfx s ALA 98 Ca 0.19 0.23 0.00 0.00 0.00 0.00 0.00 51.96 52.38 2cfx s ALA 98 Cb -0.08 -2.84 0.00 0.00 0.00 0.00 0.00 23.12 20.20 2cfx s ALA 98 CO 0.09 0.33 0.00 0.41 0.00 0.00 0.00 175.76 176.59 2cfx n GLY 99 N 1.36 0.63 0.13 0.00 0.00 -1.26 -4.88 105.19 101.17 2cfx n GLY 99 Ca -0.06 -1.56 -0.22 0.00 0.00 0.00 0.00 46.02 44.19 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 0.28 -2.47 4.61 0.00 -2.01 -3.46 119.26 116.20 2cfx h ALA 100 Ca 0.00 -1.22 -0.47 0.00 0.00 0.00 0.00 54.91 53.22 2cfx h ALA 100 Cb 0.00 0.61 0.12 0.00 0.00 0.00 0.00 17.79 18.52 2cfx h ALA 100 CO 0.00 0.97 0.32 0.00 0.00 0.00 0.00 179.25 180.54 2cfx s ALA 101 N -2.48 2.04 -0.18 0.00 0.00 -1.26 -5.00 121.76 114.88 2cfx s ALA 101 Ca -0.22 -0.41 -0.07 0.00 0.00 0.00 0.00 51.96 51.25 2cfx s ALA 101 Cb 0.05 -3.05 -0.22 0.00 0.00 0.00 0.00 23.12 19.90 2cfx s ALA 101 CO 0.73 -2.01 0.15 0.00 0.00 0.00 0.00 175.76 174.64 2cfx s TYR 103 N -2.52 0.71 -0.18 0.00 1.51 -0.78 -0.74 117.35 115.35 2cfx s TYR 103 Ca -0.27 -0.66 0.01 0.00 -1.01 0.00 0.00 57.07 55.14 2cfx s TYR 103 Cb 0.08 -0.43 0.02 0.00 -0.11 0.00 0.00 41.96 41.52 2cfx s TYR 103 CO 0.69 -0.12 -0.19 1.41 -1.11 0.00 0.00 175.55 176.23 2cfx s MET 104 N -2.38 3.01 0.26 -0.62 1.75 -0.56 -0.66 119.30 120.11 2cfx s MET 104 Ca -0.03 -0.82 0.07 0.00 -1.25 0.00 0.00 55.69 53.66 2cfx s MET 104 Cb -0.04 -2.61 -0.05 0.00 2.84 0.00 0.00 34.83 34.96 2cfx s MET 104 CO -0.02 -0.21 -0.08 -0.48 -0.65 0.00 0.00 175.02 173.58 2cfx s LEU 105 N 1.30 2.50 -0.11 4.11 0.05 -0.16 -0.82 118.68 125.55 2cfx s LEU 105 Ca 0.05 -1.15 0.02 0.00 0.05 0.00 0.00 54.13 53.10 2cfx s LEU 105 Cb -0.13 -0.65 0.01 0.00 -2.05 0.00 0.00 46.19 43.37 2cfx s LEU 105 CO -0.12 -0.29 -0.16 -0.75 -0.55 0.00 0.00 176.35 174.48 2cfx s LYS 106 N -3.70 2.27 -0.03 1.48 2.20 -0.97 0.79 119.74 121.78 2cfx s LYS 106 Ca 0.28 -0.58 0.06 0.00 -0.36 0.00 0.00 55.97 55.37 2cfx s LYS 106 Cb 0.02 -1.93 -0.02 0.00 -1.51 0.00 0.00 37.83 34.39 2cfx s LYS 106 CO 0.11 -0.07 -0.21 -1.50 -0.36 0.00 0.00 175.35 173.32 2cfx s ILE 107 N 0.99 2.46 -0.10 5.43 2.07 -0.73 -0.90 121.20 130.42 2cfx s ILE 107 Ca -0.06 -0.95 -0.02 0.00 -1.41 0.00 0.00 60.65 58.21 2cfx s ILE 107 Cb -0.15 -1.90 -0.03 0.00 0.13 0.00 0.00 42.46 40.51 2cfx s ILE 107 CO -0.02 0.58 -0.03 0.20 -1.91 0.00 0.00 174.94 173.77 2cfx s ASN 108 N -0.63 4.96 0.10 4.50 0.02 -0.57 -1.69 114.94 121.63 2cfx s ASN 108 Ca 0.10 0.02 -0.03 0.00 -1.02 0.00 0.00 52.86 51.93 2cfx s ASN 108 Cb -0.10 -1.49 -0.03 0.00 0.02 0.00 0.00 41.25 39.64 2cfx s ASN 108 CO -0.00 0.31 0.05 0.00 0.02 0.00 0.00 177.10 177.48 2cfx s ALA 109 N -0.47 0.53 0.27 0.60 0.00 0.29 -4.84 121.76 118.14 2cfx s ALA 109 Ca 0.08 -1.22 0.09 0.00 0.00 0.00 0.00 51.96 50.91 2cfx s ALA 109 Cb -0.12 0.58 0.36 0.00 0.00 0.00 0.00 23.12 23.94 2cfx s ALA 109 CO 0.02 -0.46 1.62 0.93 0.00 0.00 0.00 175.76 177.88 2cfx h GLU 110 N 2.94 0.06 -3.17 0.00 5.08 -1.84 -1.17 114.58 116.48 2cfx h GLU 110 Ca -0.34 -0.04 0.01 0.00 -1.00 0.00 0.00 59.36 57.99 2cfx h GLU 110 Cb 1.18 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 30.39 2cfx h GLU 110 CO 0.61 0.63 0.16 -1.54 -1.00 0.00 0.00 179.01 177.87 2cfx s SER 111 N -6.87 -0.10 0.32 1.42 1.04 -1.26 -4.46 113.70 103.79 2cfx s SER 111 Ca -0.02 -0.85 0.04 0.00 0.48 0.00 0.00 55.95 55.60 2cfx s SER 111 Cb 0.13 0.73 0.54 0.00 0.10 0.00 0.00 66.02 67.52 2cfx s SER 111 CO 0.77 -1.40 1.82 -0.07 0.98 0.00 0.00 173.24 175.34 2cfx h LEU 112 N 2.05 0.46 -0.77 2.42 3.38 -1.98 -2.86 115.31 118.01 2cfx h LEU 112 Ca -0.24 -0.11 0.07 0.00 0.09 0.00 0.00 57.88 57.69 2cfx h LEU 112 Cb 1.25 -0.12 -0.06 0.00 0.09 0.00 0.00 40.66 41.81 2cfx h LEU 112 CO 0.30 0.61 0.44 -0.08 0.09 0.00 0.00 178.44 179.81 2cfx h GLU 113 N 0.44 0.76 -0.41 1.13 4.81 -1.99 -0.47 114.58 118.86 2cfx h GLU 113 Ca 0.08 -0.05 -0.11 0.00 -0.13 0.00 0.00 59.36 59.16 2cfx h GLU 113 Cb 0.47 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.67 2cfx h GLU 113 CO 0.03 0.50 -0.19 0.00 -0.73 0.00 0.00 179.01 178.62 2cfx h ALA 114 N 1.40 0.90 -0.19 2.92 0.00 -1.91 0.02 119.26 122.39 2cfx h ALA 114 Ca 0.35 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2cfx h ALA 114 Cb 0.25 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 2cfx h ALA 114 CO -0.21 0.63 0.09 0.28 0.00 0.00 0.00 179.25 180.04 2cfx h VAL 115 N 0.70 1.14 -0.23 0.00 2.07 -1.14 0.86 116.25 119.63 2cfx h VAL 115 Ca 0.10 -0.39 0.06 0.00 0.82 0.00 0.00 66.70 67.29 2cfx h VAL 115 Cb 0.70 1.05 -0.06 0.00 -1.52 0.00 0.00 31.29 31.46 2cfx h VAL 115 CO 0.05 0.13 -0.19 -0.08 0.02 0.00 0.00 177.57 177.50 2cfx h GLU 116 N 0.17 -0.19 -0.93 1.57 4.81 -0.94 0.27 114.58 119.34 2cfx h GLU 116 Ca 0.06 0.01 0.10 0.00 -0.13 0.00 0.00 59.36 59.40 2cfx h GLU 116 Cb 0.13 0.04 -0.07 0.00 0.63 0.00 0.00 28.75 29.48 2cfx h GLU 116 CO -0.01 -0.13 0.60 -0.44 -0.73 0.00 0.00 179.01 178.31 2cfx h ASP 117 N -0.19 0.86 -0.41 1.04 3.32 -0.83 -0.55 116.42 119.66 2cfx h ASP 117 Ca 0.13 0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.20 2cfx h ASP 117 Cb 0.40 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.78 2cfx h ASP 117 CO -0.35 0.50 0.21 0.15 -1.72 0.00 0.00 179.24 178.03 2cfx h PHE 118 N 0.95 0.57 -0.45 4.55 3.57 -0.13 -0.57 116.94 125.44 2cfx h PHE 118 Ca 0.43 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.90 2cfx h PHE 118 Cb 0.39 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 38.93 2cfx h PHE 118 CO -0.00 0.46 0.24 0.82 -2.23 0.00 0.00 178.31 177.60 2cfx h ILE 119 N 0.52 1.17 -0.24 1.41 2.04 -0.03 0.12 117.51 122.49 2cfx h ILE 119 Ca 0.14 -0.43 0.05 0.00 1.00 0.00 0.00 64.86 65.62 2cfx h ILE 119 Cb 0.09 0.62 -0.05 0.00 -0.74 0.00 0.00 36.82 36.75 2cfx h ILE 119 CO -0.02 0.18 -0.07 0.78 0.00 0.00 0.00 178.15 179.02 2cfx h ASN 120 N 0.59 -0.25 0.42 1.72 2.35 -0.99 -2.39 115.58 117.04 2cfx h ASN 120 Ca 0.16 0.08 -0.08 0.00 -0.55 0.00 0.00 56.30 55.91 2cfx h ASN 120 Cb 0.06 0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.58 2cfx h ASN 120 CO -0.02 -0.09 -0.38 0.11 -1.65 0.00 0.00 177.43 175.40 2cfx h LYS 121 N -0.01 0.00 0.00 0.81 6.56 -0.75 -3.08 116.57 120.10 2cfx h LYS 121 Ca 0.12 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.71 2cfx h LYS 121 Cb 0.19 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.85 2cfx h LYS 121 CO -0.25 0.38 0.00 0.00 -2.06 0.00 0.00 179.45 177.51 2cfx h THR 122 N 0.00 0.00 -0.02 -0.16 1.03 -0.29 -3.37 112.91 110.10 2cfx h THR 122 Ca -0.00 -0.76 -0.01 0.00 -0.01 0.00 0.00 66.41 65.63 2cfx h THR 122 Cb 0.69 1.74 -0.00 0.00 -1.07 0.00 0.00 68.15 69.50 2cfx h THR 122 CO 0.05 0.00 -0.02 0.77 -0.01 0.00 0.00 175.52 176.31 2cfx h SER 123 N 0.00 0.03 0.28 0.00 4.64 -1.35 -1.23 113.55 115.92 2cfx h SER 123 Ca 0.00 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2cfx h SER 123 Cb 0.82 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.90 2cfx h SER 123 CO 0.00 0.05 0.00 -0.65 -0.87 0.00 0.00 176.83 175.36 2cfx h PRO 124 N 0.03 0.00 0.00 4.77 0.11 -1.79 -3.31 132.00 131.81 2cfx h PRO 124 Ca 0.01 0.00 -0.29 0.00 0.11 0.00 0.00 66.00 65.83 2cfx h PRO 124 Cb 0.06 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 31.11 2cfx h PRO 124 CO 0.00 0.00 -2.09 0.66 -0.21 0.00 0.00 178.00 176.36 2cfx n TYR 125 N -2.85 0.00 -3.74 0.65 4.02 -0.52 -4.87 117.16 109.84 2cfx n TYR 125 Ca -0.02 0.00 -0.11 0.00 -0.01 0.00 0.00 57.90 57.77 2cfx n TYR 125 Cb 0.13 -0.75 -0.06 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 -2.38 -0.66 -0.03 -0.72 0.00 -0.83 -1.03 121.76 116.10 2cfx s ALA 126 Ca -0.23 -0.15 -0.14 0.00 0.00 0.00 0.00 51.96 51.44 2cfx s ALA 126 Cb 0.06 0.47 -0.05 0.00 0.00 0.00 0.00 23.12 23.60 2cfx s ALA 126 CO 0.48 -0.51 0.38 -1.14 0.00 0.00 0.00 175.76 174.97 2cfx s GLN 127 N -3.25 3.92 0.06 0.00 0.74 0.06 -3.74 119.66 117.45 2cfx s GLN 127 Ca -0.00 0.33 0.07 0.00 0.05 0.00 0.00 55.36 55.81 2cfx s GLN 127 Cb 0.01 -3.25 -0.03 0.00 1.10 0.00 0.00 33.01 30.85 2cfx s GLN 127 CO -0.08 0.63 -0.19 0.95 -0.55 0.00 0.00 175.29 176.05 2cfx s THR 128 N -0.83 1.51 -0.17 -0.34 -4.23 -1.26 0.04 115.64 110.36 2cfx s THR 128 Ca 0.22 -1.23 -0.01 0.00 -1.18 0.00 0.00 61.69 59.50 2cfx s THR 128 Cb -0.16 -1.34 -0.00 0.00 1.34 0.00 0.00 72.50 72.34 2cfx s THR 128 CO 0.11 0.08 -0.13 -0.69 -0.54 0.00 0.00 174.62 173.45 2cfx s VAL 129 N -0.92 2.77 -0.20 2.29 1.01 -0.13 -4.96 120.40 120.26 2cfx s VAL 129 Ca 0.05 -0.72 -0.06 0.00 0.00 0.00 0.00 61.98 61.26 2cfx s VAL 129 Cb -0.09 -2.20 -0.03 0.00 0.00 0.00 0.00 36.38 34.07 2cfx s VAL 129 CO 0.02 0.50 0.02 -0.89 0.00 0.00 0.00 175.10 174.75 2cfx s THR 130 N 1.04 4.17 -0.34 3.92 2.01 -1.26 -1.20 115.64 123.97 2cfx s THR 130 Ca -0.01 -0.24 -0.03 0.00 0.31 0.00 0.00 61.69 61.72 2cfx s THR 130 Cb -0.15 -2.89 0.06 0.00 0.01 0.00 0.00 72.50 69.54 2cfx s THR 130 CO -0.03 0.42 0.08 -1.00 -0.69 0.00 0.00 174.62 173.40 2cfx s HIS 131 N 0.96 3.35 0.27 4.92 3.76 -0.08 -4.99 115.29 123.48 2cfx s HIS 131 Ca 0.02 -1.90 -0.30 0.00 -0.15 0.00 0.00 55.06 52.73 2cfx s HIS 131 Cb -0.14 -2.45 -0.13 0.00 1.11 0.00 0.00 32.58 30.97 2cfx s HIS 131 CO 0.02 -0.83 1.46 0.28 -0.85 0.00 0.00 174.74 174.82 2cfx n VAL 132 N 4.67 1.07 -2.99 -0.90 0.31 -1.26 -0.62 118.33 118.60 2cfx n VAL 132 Ca -0.10 -0.27 -0.40 0.00 -0.01 0.00 0.00 64.34 63.56 2cfx n VAL 132 Cb 0.43 -1.65 -0.05 0.00 -0.91 0.00 0.00 33.84 31.66 2cfx n VAL 132 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 2cfx s ILE 133 N -0.14 4.95 -0.08 2.52 1.01 -0.14 -4.87 121.20 124.45 2cfx s ILE 133 Ca 0.66 1.56 0.00 0.00 0.00 0.00 0.00 60.65 62.87 2cfx s ILE 133 Cb -0.59 -4.09 -0.25 0.00 0.01 0.00 0.00 42.46 37.54 2cfx s ILE 133 CO 0.50 0.27 0.50 -0.26 0.00 0.00 0.00 174.94 175.96 2cfx h PHE 134 N 6.49 0.31 -1.94 3.97 0.05 -1.94 -3.44 116.94 120.45 2cfx h PHE 134 Ca -0.42 -0.23 0.23 0.00 3.82 0.00 0.00 57.97 61.38 2cfx h PHE 134 Cb 1.20 -0.01 -0.04 0.00 2.00 0.00 0.00 35.95 39.10 2cfx h PHE 134 CO 0.65 1.48 0.62 -1.13 -0.18 0.00 0.00 178.31 179.76 2cfx n SER 135 N -3.32 -0.94 -3.76 2.17 3.41 -1.26 -5.16 113.62 104.76 2cfx n SER 135 Ca -0.26 -1.26 -0.13 0.00 -0.26 0.00 0.00 58.87 56.96 2cfx n SER 135 Cb 1.05 1.46 -0.14 0.00 -0.26 0.00 0.00 64.21 66.32 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 0.11 -0.12 4.33 2.12 -1.26 -5.13 118.70 116.73 2cfx s GLU 136 Ca 0.21 0.35 -0.28 0.00 0.36 0.00 0.00 54.97 55.61 2cfx s GLU 136 Cb -0.01 -0.14 -0.01 0.00 0.26 0.00 0.00 34.13 34.23 2cfx s GLU 136 CO 0.00 -0.14 0.94 0.42 -0.54 0.00 0.00 175.26 175.94 2cfx s ILE 137 N 1.02 4.83 -0.19 -3.70 1.01 -1.26 -5.02 121.20 117.90 2cfx s ILE 137 Ca -0.08 1.89 -0.29 0.00 0.00 0.00 0.00 60.65 62.18 2cfx s ILE 137 Cb -0.10 -4.25 -0.04 0.00 0.01 0.00 0.00 42.46 38.08 2cfx s ILE 137 CO -0.05 0.03 1.84 -0.62 0.00 0.00 0.00 174.94 176.13 2cfx s ASP 138 N 1.10 6.12 0.00 3.58 2.15 -1.26 -4.90 116.67 123.46 2cfx s ASP 138 Ca 0.45 1.84 0.16 0.00 0.43 0.00 0.00 52.55 55.43 2cfx s ASP 138 Cb -0.18 -2.53 0.34 0.00 -0.30 0.00 0.00 42.92 40.25 2cfx s ASP 138 CO 0.16 -1.44 1.25 0.35 -0.17 0.00 0.00 175.17 175.33 2cfx n THR 139 N 6.68 0.62 -0.84 1.71 -2.24 -1.26 -5.38 114.28 113.58 2cfx n THR 139 Ca 0.22 -0.81 0.00 0.00 -2.27 0.00 0.00 64.05 61.19 2cfx n THR 139 Cb 0.45 0.82 0.00 0.00 -2.10 0.00 0.00 70.33 69.50 2cfx n THR 139 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79