#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cfj s VAL 2 N 0.00 3.11 -0.04 6.31 1.01 -1.26 -3.93 120.40 125.60 3cfj s VAL 2 Ca 0.00 0.80 0.03 0.00 0.00 0.00 0.00 61.98 62.81 3cfj s VAL 2 Cb 0.00 -3.51 0.00 0.00 0.00 0.00 0.00 36.38 32.87 3cfj s VAL 2 CO 0.00 0.06 -0.12 -0.54 0.00 0.00 0.00 175.10 174.50 3cfj s LYS 3 N 1.11 1.30 -0.36 2.72 1.02 -0.24 -5.00 119.74 120.30 3cfj s LYS 3 Ca 0.66 -0.40 -0.00 0.00 0.02 0.00 0.00 55.97 56.25 3cfj s LYS 3 Cb -0.39 -1.16 0.12 0.00 -0.52 0.00 0.00 37.83 35.88 3cfj s LYS 3 CO 0.30 0.14 0.18 -0.51 -0.92 0.00 0.00 175.35 174.54 3cfj s LEU 4 N 0.23 1.86 -0.29 3.17 1.43 -1.26 -1.64 118.68 122.18 3cfj s LEU 4 Ca -0.05 -2.06 -0.13 0.00 -1.03 0.00 0.00 54.13 50.86 3cfj s LEU 4 Cb -0.11 -0.74 -0.04 0.00 0.03 0.00 0.00 46.19 45.34 3cfj s LEU 4 CO 0.01 -0.34 0.28 -0.76 0.23 0.00 0.00 176.35 175.77 3cfj s LEU 5 N 1.12 4.11 0.13 1.79 1.43 -0.63 -4.21 118.68 122.42 3cfj s LEU 5 Ca 0.14 0.05 0.02 0.00 -1.03 0.00 0.00 54.13 53.31 3cfj s LEU 5 Cb -0.21 -2.26 -0.04 0.00 0.03 0.00 0.00 46.19 43.71 3cfj s LEU 5 CO -0.11 -0.15 0.24 -1.61 0.23 0.00 0.00 176.35 174.95 3cfj s GLU 6 N 1.90 3.35 0.32 1.70 2.02 -1.26 -1.43 118.70 125.30 3cfj s GLU 6 Ca 0.10 -0.60 -0.11 0.00 0.02 0.00 0.00 54.97 54.38 3cfj s GLU 6 Cb -0.16 -2.93 0.02 0.00 0.10 0.00 0.00 34.13 31.15 3cfj s GLU 6 CO 0.11 0.54 0.59 -1.54 0.02 0.00 0.00 175.26 174.97 3cfj s SER 7 N -3.04 0.23 0.00 -0.19 1.04 -0.45 -4.83 113.70 106.46 3cfj s SER 7 Ca 0.34 -1.12 0.00 0.00 0.48 0.00 0.00 55.95 55.65 3cfj s SER 7 Cb -0.11 0.70 0.00 0.00 0.10 0.00 0.00 66.02 66.70 3cfj s SER 7 CO 0.27 -1.36 0.00 0.61 0.98 0.00 0.00 173.24 173.75 3cfj n GLY 8 N -0.49 0.58 0.10 7.32 0.00 -1.26 -1.39 105.19 110.05 3cfj n GLY 8 Ca -0.03 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.98 3cfj n GLY 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cfj n GLY 9 N -1.26 -1.16 0.00 -0.02 0.00 -1.26 -4.74 105.19 96.75 3cfj n GLY 9 Ca 0.00 -1.67 0.00 0.00 0.00 0.00 0.00 46.02 44.35 3cfj n GLY 9 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cfj n GLY 10 N 4.74 0.53 3.72 -0.02 0.00 0.20 -4.97 105.19 109.40 3cfj n GLY 10 Ca 0.00 -2.25 -0.41 0.00 0.00 0.00 0.00 46.02 43.36 3cfj n GLY 10 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3cfj s LEU 11 N 0.00 4.44 0.05 0.99 1.43 -1.26 -1.83 118.68 122.50 3cfj s LEU 11 Ca 0.00 1.81 0.04 0.00 -1.03 0.00 0.00 54.13 54.96 3cfj s LEU 11 Cb 0.00 -3.58 -0.02 0.00 0.03 0.00 0.00 46.19 42.61 3cfj s LEU 11 CO 0.00 -0.19 -0.13 0.00 0.23 0.00 0.00 176.35 176.26 3cfj s ALA 12 N 0.40 1.07 0.37 4.21 0.00 -0.23 -4.96 121.76 122.62 3cfj s ALA 12 Ca 0.50 -0.84 -0.25 0.00 0.00 0.00 0.00 51.96 51.37 3cfj s ALA 12 Cb -0.24 -0.13 -0.09 0.00 0.00 0.00 0.00 23.12 22.66 3cfj s ALA 12 CO 0.30 0.17 1.05 -0.65 0.00 0.00 0.00 175.76 176.63 3cfj s GLN 13 N -1.30 4.29 0.21 0.00 -0.21 -1.26 -1.71 119.66 119.68 3cfj s GLN 13 Ca -0.01 1.56 -0.31 0.00 0.02 0.00 0.00 55.36 56.62 3cfj s GLN 13 Cb -0.08 -2.69 -0.15 0.00 1.00 0.00 0.00 33.01 31.08 3cfj s GLN 13 CO 0.01 -0.04 1.15 -2.30 -2.12 0.00 0.00 175.29 171.99 3cfj n PRO 14 N 0.23 1.31 0.00 2.91 -0.02 -1.26 -1.53 135.00 136.64 3cfj n PRO 14 Ca 0.04 0.46 0.00 0.00 -2.02 0.00 0.00 63.50 61.98 3cfj n PRO 14 Cb 0.49 -1.94 0.00 0.00 -0.02 0.00 0.00 33.50 32.02 3cfj n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3cfj n GLY 15 N 1.83 2.58 3.40 -1.23 0.00 0.21 -4.89 105.19 107.08 3cfj n GLY 15 Ca 0.13 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.90 3cfj n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cfj n GLY 16 N -2.00 -1.33 3.40 -0.02 0.00 -0.58 -4.13 105.19 100.52 3cfj n GLY 16 Ca 0.00 -1.72 -0.20 0.00 0.00 0.00 0.00 46.02 44.09 3cfj n GLY 16 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3cfj s SER 17 N -5.24 2.81 -0.11 1.61 1.04 -1.26 -2.24 113.70 110.31 3cfj s SER 17 Ca 0.66 -1.09 -0.15 0.00 0.48 0.00 0.00 55.95 55.85 3cfj s SER 17 Cb -0.02 -0.18 0.04 0.00 0.10 0.00 0.00 66.02 65.96 3cfj s SER 17 CO 0.46 -0.20 0.39 -0.22 0.98 0.00 0.00 173.24 174.65 3cfj s LEU 18 N -3.40 0.50 -0.22 2.42 2.96 0.38 -5.00 118.68 116.32 3cfj s LEU 18 Ca 0.26 0.60 -0.00 0.00 -0.22 0.00 0.00 54.13 54.77 3cfj s LEU 18 Cb 0.00 1.42 0.02 0.00 0.50 0.00 0.00 46.19 48.14 3cfj s LEU 18 CO 0.10 -0.26 -0.12 -0.75 -1.32 0.00 0.00 176.35 174.00 3cfj s LYS 19 N -0.31 2.89 0.08 1.98 2.20 -1.26 -0.05 119.74 125.26 3cfj s LYS 19 Ca -0.05 -0.92 -0.07 0.00 -0.36 0.00 0.00 55.97 54.58 3cfj s LYS 19 Cb -0.03 -2.81 -0.05 0.00 -1.51 0.00 0.00 37.83 33.42 3cfj s LYS 19 CO 0.02 -0.32 0.34 -0.51 -0.36 0.00 0.00 175.35 174.52 3cfj s LEU 20 N 1.30 4.33 0.10 5.43 1.43 0.12 -4.61 118.68 126.77 3cfj s LEU 20 Ca 0.02 0.62 0.03 0.00 -1.03 0.00 0.00 54.13 53.77 3cfj s LEU 20 Cb -0.15 -2.99 -0.04 0.00 0.03 0.00 0.00 46.19 43.04 3cfj s LEU 20 CO -0.08 0.16 -0.09 -0.94 0.23 0.00 0.00 176.35 175.63 3cfj s SER 21 N -2.01 1.38 -0.04 2.29 1.04 -0.49 -0.85 113.70 115.03 3cfj s SER 21 Ca 0.34 -0.84 -0.02 0.00 0.48 0.00 0.00 55.95 55.91 3cfj s SER 21 Cb -0.13 0.02 0.03 0.00 0.10 0.00 0.00 66.02 66.04 3cfj s SER 21 CO 0.20 -0.30 0.07 0.00 0.98 0.00 0.00 173.24 174.19 3cfj s ALA 23 N 1.98 3.46 0.01 0.00 0.00 -0.51 -0.41 121.76 126.29 3cfj s ALA 23 Ca 0.02 -0.74 0.08 0.00 0.00 0.00 0.00 51.96 51.32 3cfj s ALA 23 Cb -0.12 -1.85 -0.03 0.00 0.00 0.00 0.00 23.12 21.12 3cfj s ALA 23 CO -0.03 0.32 -0.23 0.00 0.00 0.00 0.00 175.76 175.82 3cfj s ALA 24 N -0.07 2.36 0.21 0.00 0.00 0.18 -1.61 121.76 122.82 3cfj s ALA 24 Ca 0.07 -1.17 -0.10 0.00 0.00 0.00 0.00 51.96 50.76 3cfj s ALA 24 Cb -0.12 -0.62 -0.01 0.00 0.00 0.00 0.00 23.12 22.37 3cfj s ALA 24 CO 0.01 0.54 0.37 -1.54 0.00 0.00 0.00 175.76 175.15 3cfj s SER 25 N -1.01 -0.03 0.00 0.00 1.04 -0.65 -4.80 113.70 108.24 3cfj s SER 25 Ca 0.12 -0.93 0.00 0.00 0.48 0.00 0.00 55.95 55.62 3cfj s SER 25 Cb -0.10 0.51 0.00 0.00 0.10 0.00 0.00 66.02 66.53 3cfj s SER 25 CO 0.02 -1.01 0.00 0.61 0.98 0.00 0.00 173.24 173.83 3cfj n GLY 26 N -0.31 0.85 3.44 7.32 0.00 -1.25 -1.08 105.19 114.16 3cfj n GLY 26 Ca -0.04 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.89 3cfj n GLY 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3cfj s PHE 27 N -3.34 0.48 -1.27 1.61 -0.71 -1.26 -4.52 117.98 108.97 3cfj s PHE 27 Ca 0.00 -0.82 -0.19 0.00 -1.04 0.00 0.00 56.93 54.88 3cfj s PHE 27 Cb 0.00 -0.00 0.02 0.00 -1.21 0.00 0.00 43.02 41.83 3cfj s PHE 27 CO 0.00 -0.85 1.86 -3.47 -1.34 0.00 0.00 175.22 171.42 3cfj n ASP 28 N -0.31 4.24 -0.34 1.98 2.03 -1.26 -4.84 116.55 118.05 3cfj n ASP 28 Ca -0.03 -2.85 0.25 0.00 0.52 0.00 0.00 54.79 52.68 3cfj n ASP 28 Cb 0.63 -1.70 0.49 0.00 -0.72 0.00 0.00 41.12 39.82 3cfj n ASP 28 CO 0.00 0.00 0.00 0.15 -1.92 0.00 0.00 177.20 175.43 3cfj h PHE 29 N 7.85 0.88 -0.85 -0.67 3.57 -1.96 -0.10 116.94 125.66 3cfj h PHE 29 Ca 0.41 0.04 0.21 0.00 3.53 0.00 0.00 57.97 62.16 3cfj h PHE 29 Cb 0.84 -0.23 -0.05 0.00 2.79 0.00 0.00 35.95 39.30 3cfj h PHE 29 CO 1.37 -0.16 0.58 0.00 -2.23 0.00 0.00 178.31 177.88 3cfj h ARG 30 N 0.31 0.21 -0.00 1.11 3.08 -1.88 -2.69 114.38 114.51 3cfj h ARG 30 Ca 0.73 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.77 3cfj h ARG 30 Cb 1.74 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 31.74 3cfj h ARG 30 CO -0.57 0.14 -0.46 0.54 -1.07 0.00 0.00 179.97 178.55 3cfj n ARG 31 N -4.41 0.38 -4.53 0.04 1.74 -0.05 -4.67 116.66 105.16 3cfj n ARG 31 Ca 0.18 -0.24 -0.34 0.00 -0.77 0.00 0.00 57.85 56.67 3cfj n ARG 31 Cb 0.77 -1.49 -0.11 0.00 -1.02 0.00 0.00 32.46 30.61 3cfj n ARG 31 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 3cfj s TYR 32 N -2.79 3.01 0.42 -1.55 1.51 -1.02 -4.85 117.35 112.09 3cfj s TYR 32 Ca 0.16 0.04 -0.26 0.00 -1.01 0.00 0.00 57.07 56.00 3cfj s TYR 32 Cb 0.18 -1.76 -0.09 0.00 -0.11 0.00 0.00 41.96 40.18 3cfj s TYR 32 CO 0.64 0.34 1.34 -1.58 -1.11 0.00 0.00 175.55 175.18 3cfj s TRP 33 N -0.71 2.71 0.13 2.71 0.52 -1.26 -4.16 118.94 118.89 3cfj s TRP 33 Ca 0.11 1.36 0.09 0.00 0.02 0.00 0.00 56.10 57.68 3cfj s TRP 33 Cb -0.11 -3.75 -0.04 0.00 -1.15 0.00 0.00 33.47 28.42 3cfj s TRP 33 CO 0.02 -2.34 -0.21 -1.64 0.02 0.00 0.00 176.95 172.79 3cfj s MET 34 N -2.29 1.22 0.02 4.98 -1.94 -0.62 -2.00 119.30 118.67 3cfj s MET 34 Ca 0.58 -1.28 0.02 0.00 -1.71 0.00 0.00 55.69 53.30 3cfj s MET 34 Cb -0.40 -1.45 -0.01 0.00 2.01 0.00 0.00 34.83 34.98 3cfj s MET 34 CO 0.51 0.32 -0.07 0.99 -0.01 0.00 0.00 175.02 176.77 3cfj s THR 35 N -1.46 0.48 -0.12 2.05 2.01 0.92 -0.78 115.64 118.74 3cfj s THR 35 Ca 0.11 -0.69 -0.02 0.00 0.31 0.00 0.00 61.69 61.40 3cfj s THR 35 Cb -0.09 -0.49 -0.03 0.00 0.01 0.00 0.00 72.50 71.90 3cfj s THR 35 CO 0.05 -0.15 -0.04 0.26 -0.69 0.00 0.00 174.62 174.05 3cfj s TRP 36 N -0.80 3.01 0.06 4.92 0.52 -0.59 0.02 118.94 126.09 3cfj s TRP 36 Ca -0.04 -0.16 0.05 0.00 0.02 0.00 0.00 56.10 55.96 3cfj s TRP 36 Cb -0.06 -1.87 -0.03 0.00 -1.15 0.00 0.00 33.47 30.36 3cfj s TRP 36 CO 0.00 0.12 -0.13 0.08 0.02 0.00 0.00 176.95 177.04 3cfj s VAL 37 N -0.10 1.00 0.15 4.03 1.01 -0.17 -1.06 120.40 125.25 3cfj s VAL 37 Ca 0.02 -1.23 0.05 0.00 0.00 0.00 0.00 61.98 60.81 3cfj s VAL 37 Cb -0.13 -0.97 -0.04 0.00 0.00 0.00 0.00 36.38 35.23 3cfj s VAL 37 CO 0.03 -0.24 -0.11 0.00 0.00 0.00 0.00 175.10 174.78 3cfj s ARG 38 N -1.66 1.07 -0.15 2.72 1.70 0.01 0.17 118.95 122.80 3cfj s ARG 38 Ca -0.03 -1.42 -0.04 0.00 -0.47 0.00 0.00 55.73 53.77 3cfj s ARG 38 Cb -0.10 -0.71 0.07 0.00 -0.57 0.00 0.00 34.95 33.65 3cfj s ARG 38 CO 0.02 0.10 0.20 -1.14 -1.08 0.00 0.00 175.30 173.40 3cfj s GLN 39 N -3.53 0.13 0.59 3.89 0.74 0.11 -0.57 119.66 121.01 3cfj s GLN 39 Ca 0.16 0.40 -0.15 0.00 0.05 0.00 0.00 55.36 55.82 3cfj s GLN 39 Cb 0.01 -0.74 -0.04 0.00 1.10 0.00 0.00 33.01 33.34 3cfj s GLN 39 CO 0.01 -0.48 1.03 0.00 -0.55 0.00 0.00 175.29 175.30 3cfj s ALA 40 N 2.33 2.89 0.14 1.58 0.00 -1.26 -0.82 121.76 126.62 3cfj s ALA 40 Ca 0.04 0.21 -0.33 0.00 0.00 0.00 0.00 51.96 51.88 3cfj s ALA 40 Cb -0.14 -3.16 -0.13 0.00 0.00 0.00 0.00 23.12 19.69 3cfj s ALA 40 CO -0.09 -0.68 1.66 -0.35 0.00 0.00 0.00 175.76 176.29 3cfj n PRO 41 N -2.17 2.33 -0.85 0.00 -0.04 -1.26 -0.90 135.00 132.11 3cfj n PRO 41 Ca 0.07 0.84 0.00 0.00 -0.04 0.00 0.00 63.50 64.38 3cfj n PRO 41 Cb 0.53 -2.64 0.00 0.00 -0.04 0.00 0.00 33.50 31.35 3cfj n PRO 41 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3cfj n GLY 42 N 3.68 0.35 3.48 0.55 0.00 -1.26 -4.98 105.19 107.01 3cfj n GLY 42 Ca 0.17 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.94 3cfj n GLY 42 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3cfj n LYS 43 N -1.48 0.76 -0.64 1.61 5.02 -0.08 -5.15 118.16 118.20 3cfj n LYS 43 Ca 0.00 -3.21 -0.06 0.00 -2.02 0.00 0.00 58.31 53.02 3cfj n LYS 43 Cb 0.12 0.43 0.04 0.00 -0.02 0.00 0.00 35.03 35.60 3cfj n LYS 43 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3cfj n GLY 44 N -1.02 -0.47 3.82 0.72 0.00 -1.26 -4.66 105.19 102.33 3cfj n GLY 44 Ca -0.05 -1.79 -0.35 0.00 0.00 0.00 0.00 46.02 43.83 3cfj n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3cfj s LEU 45 N 0.00 4.23 -0.05 0.99 1.43 -1.26 -4.19 118.68 119.83 3cfj s LEU 45 Ca 0.15 1.41 -0.02 0.00 -1.03 0.00 0.00 54.13 54.65 3cfj s LEU 45 Cb -0.01 -3.81 0.03 0.00 0.03 0.00 0.00 46.19 42.43 3cfj s LEU 45 CO 0.11 -0.07 0.04 -0.70 0.23 0.00 0.00 176.35 175.96 3cfj s GLU 46 N -2.36 0.16 0.00 1.70 2.12 0.26 -4.99 118.70 115.59 3cfj s GLU 46 Ca 0.48 0.28 -0.30 0.00 0.36 0.00 0.00 54.97 55.78 3cfj s GLU 46 Cb -0.14 -0.65 -0.05 0.00 0.26 0.00 0.00 34.13 33.54 3cfj s GLU 46 CO 0.20 -0.31 1.38 -0.46 -0.54 0.00 0.00 175.26 175.53 3cfj s TRP 47 N 2.04 2.91 -0.20 5.30 -0.00 -1.26 -0.81 118.94 126.91 3cfj s TRP 47 Ca 0.04 0.87 -0.19 0.00 -0.00 0.00 0.00 56.10 56.82 3cfj s TRP 47 Cb -0.12 -3.64 -0.16 0.00 -0.00 0.00 0.00 33.47 29.55 3cfj s TRP 47 CO -0.04 -2.32 0.09 -0.89 -0.00 0.00 0.00 176.95 173.79 3cfj n ILE 48 N 4.61 1.51 -1.33 5.86 5.41 -0.23 -4.50 119.36 130.70 3cfj n ILE 48 Ca 0.13 -0.01 0.00 0.00 1.00 0.00 0.00 62.75 63.87 3cfj n ILE 48 Cb 0.44 -2.10 0.00 0.00 -0.71 0.00 0.00 39.64 37.27 3cfj n ILE 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3cfj n GLY 49 N 1.45 -1.35 3.14 7.39 0.00 -1.17 -0.57 105.19 114.08 3cfj n GLY 49 Ca -0.29 -0.99 -0.09 0.00 0.00 0.00 0.00 46.02 44.65 3cfj n GLY 49 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3cfj s GLU 50 N -1.31 0.82 -0.01 1.61 -1.05 -0.47 -1.54 118.70 116.75 3cfj s GLU 50 Ca 0.00 -1.36 -0.00 0.00 -0.15 0.00 0.00 54.97 53.46 3cfj s GLU 50 Cb 0.00 0.15 0.01 0.00 -0.44 0.00 0.00 34.13 33.85 3cfj s GLU 50 CO 0.00 -0.17 0.02 -1.50 0.95 0.00 0.00 175.26 174.56 3cfj s ILE 51 N -3.93 -0.02 0.82 1.83 2.07 0.04 -2.19 121.20 119.81 3cfj s ILE 51 Ca 0.17 0.09 -0.12 0.00 -1.41 0.00 0.00 60.65 59.37 3cfj s ILE 51 Cb 0.07 -0.05 0.09 0.00 0.13 0.00 0.00 42.46 42.70 3cfj s ILE 51 CO -0.03 0.04 1.15 0.54 -1.91 0.00 0.00 174.94 174.73 3cfj s ASN 52 N 0.43 4.36 0.30 4.50 4.22 -0.49 -1.59 114.94 126.67 3cfj s ASN 52 Ca -0.04 0.92 0.05 0.00 -2.14 0.00 0.00 52.86 51.65 3cfj s ASN 52 Cb -0.05 -1.49 0.74 0.00 1.28 0.00 0.00 41.25 41.73 3cfj s ASN 52 CO -0.01 -2.01 1.75 -0.65 -2.04 0.00 0.00 177.10 174.13 3cfj h PRO 52 N -1.13 0.60 -0.67 3.55 0.11 -1.83 -2.60 132.00 130.04 3cfj h PRO 52 Ca -0.47 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3cfj h PRO 52 Cb 1.32 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3cfj h PRO 52 CO 0.64 0.40 0.00 -0.40 -0.21 0.00 0.00 178.00 178.43 3cfj n ASP 53 N -4.87 4.31 0.00 -2.05 5.68 -1.26 -4.94 116.55 113.42 3cfj n ASP 53 Ca 0.23 -2.24 0.00 0.00 -0.50 0.00 0.00 54.79 52.28 3cfj n ASP 53 Cb 0.61 -0.52 0.00 0.00 -1.14 0.00 0.00 41.12 40.07 3cfj n ASP 53 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 3cfj n SER 54 N 1.29 -4.65 0.19 -1.12 7.64 -0.98 -4.87 113.62 111.13 3cfj n SER 54 Ca 0.24 0.00 0.11 0.00 1.01 0.00 0.00 58.87 60.23 3cfj n SER 54 Cb 0.75 -2.52 0.12 0.00 -1.01 0.00 0.00 64.21 61.55 3cfj n SER 54 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 3cfj h ARG 55 N 0.35 0.00 -4.74 1.43 2.47 -1.93 -3.43 114.38 108.54 3cfj h ARG 55 Ca 0.00 0.00 -0.63 0.00 -1.26 0.00 0.00 59.98 58.09 3cfj h ARG 55 Cb 0.64 0.00 -0.36 0.00 -1.65 0.00 0.00 29.97 28.59 3cfj h ARG 55 CO 0.00 0.04 -0.82 0.99 0.56 0.00 0.00 179.97 180.74 3cfj s THR 56 N -3.22 1.79 -0.14 2.04 2.01 -1.26 -5.05 115.64 111.80 3cfj s THR 56 Ca 0.05 -1.00 -0.00 0.00 0.31 0.00 0.00 61.69 61.05 3cfj s THR 56 Cb 0.06 -1.77 0.03 0.00 0.01 0.00 0.00 72.50 70.83 3cfj s THR 56 CO 0.70 0.28 -0.09 -0.63 -0.69 0.00 0.00 174.62 174.20 3cfj s ILE 57 N 1.35 1.23 -0.10 1.82 1.01 -1.26 -1.39 121.20 123.87 3cfj s ILE 57 Ca 0.00 -0.51 -0.02 0.00 0.00 0.00 0.00 60.65 60.12 3cfj s ILE 57 Cb -0.15 -1.27 -0.03 0.00 0.01 0.00 0.00 42.46 41.02 3cfj s ILE 57 CO -0.09 0.32 -0.03 0.20 0.00 0.00 0.00 174.94 175.34 3cfj s ASN 58 N 1.61 4.97 0.12 3.58 0.01 -0.93 -4.97 114.94 119.32 3cfj s ASN 58 Ca 0.03 0.03 0.09 0.00 -0.71 0.00 0.00 52.86 52.31 3cfj s ASN 58 Cb -0.14 -1.45 -0.04 0.00 0.41 0.00 0.00 41.25 40.03 3cfj s ASN 58 CO -0.09 0.32 -0.22 -0.31 -1.51 0.00 0.00 177.10 175.29 3cfj s TYR 59 N -0.57 1.94 0.32 2.20 2.02 -1.26 -1.36 117.35 120.64 3cfj s TYR 59 Ca 0.09 -0.41 -0.29 0.00 -0.37 0.00 0.00 57.07 56.09 3cfj s TYR 59 Cb -0.12 -1.05 -0.12 0.00 -0.40 0.00 0.00 41.96 40.27 3cfj s TYR 59 CO 0.02 0.26 1.42 -0.12 -1.57 0.00 0.00 175.55 175.56 3cfj n MET 60 N 0.97 2.36 -1.64 -0.62 0.00 0.27 -4.87 117.12 113.58 3cfj n MET 60 Ca -0.19 0.83 -0.58 0.00 -0.00 0.00 0.00 57.70 57.77 3cfj n MET 60 Cb 0.54 -2.50 -0.07 0.00 0.00 0.00 0.00 33.22 31.18 3cfj n MET 60 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 175.97 173.67 3cfj n PRO 61 N 1.10 0.74 -3.57 2.12 -0.02 -1.26 -4.90 135.00 129.20 3cfj n PRO 61 Ca 0.06 0.27 -0.06 0.00 -2.02 0.00 0.00 63.50 61.75 3cfj n PRO 61 Cb 0.36 -1.88 -0.02 0.00 -0.02 0.00 0.00 33.50 31.95 3cfj n PRO 61 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3cfj s SER 62 N 1.88 -0.24 0.55 2.55 1.04 -1.26 -5.16 113.70 113.06 3cfj s SER 62 Ca 0.94 -0.05 -0.21 0.00 0.48 0.00 0.00 55.95 57.11 3cfj s SER 62 Cb -1.15 0.28 -0.05 0.00 0.10 0.00 0.00 66.02 65.21 3cfj s SER 62 CO 0.61 -0.47 1.28 -0.76 0.98 0.00 0.00 173.24 174.88 3cfj s LEU 63 N -2.45 3.82 0.12 2.42 1.02 -1.26 -4.87 118.68 117.47 3cfj s LEU 63 Ca 0.08 2.57 -0.33 0.00 0.02 0.00 0.00 54.13 56.47 3cfj s LEU 63 Cb -0.01 -4.37 -0.13 0.00 0.02 0.00 0.00 46.19 41.71 3cfj s LEU 63 CO -0.06 -1.47 1.71 0.29 0.02 0.00 0.00 176.35 176.84 3cfj n LYS 64 N -1.10 2.39 -1.31 1.70 5.02 -1.26 -2.32 118.16 121.27 3cfj n LYS 64 Ca 0.11 0.87 -0.11 0.00 -2.02 0.00 0.00 58.31 57.16 3cfj n LYS 64 Cb 0.47 -2.69 -0.05 0.00 -0.02 0.00 0.00 35.03 32.74 3cfj n LYS 64 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 3cfj n ASP 65 N 4.57 -4.32 -0.14 4.39 8.00 -1.26 -4.87 116.55 122.91 3cfj n ASP 65 Ca 0.18 0.27 -0.08 0.00 0.71 0.00 0.00 54.79 55.87 3cfj n ASP 65 Cb 0.32 -2.78 0.00 0.00 -0.02 0.00 0.00 41.12 38.64 3cfj n ASP 65 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 3cfj h LYS 66 N 0.01 0.56 -6.04 -1.24 1.63 -1.79 -3.42 116.57 106.28 3cfj h LYS 66 Ca -0.22 -0.05 -0.66 0.00 -0.85 0.00 0.00 60.65 58.87 3cfj h LYS 66 Cb 0.71 -0.12 -0.31 0.00 -0.60 0.00 0.00 32.23 31.91 3cfj h LYS 66 CO 0.32 0.41 -0.88 -0.06 -3.45 0.00 0.00 179.45 175.79 3cfj s PHE 67 N -6.04 2.23 -0.16 1.91 0.08 -1.26 -1.62 117.98 113.12 3cfj s PHE 67 Ca -0.13 -0.58 0.00 0.00 0.12 0.00 0.00 56.93 56.35 3cfj s PHE 67 Cb 0.11 -1.46 0.03 0.00 -0.57 0.00 0.00 43.02 41.13 3cfj s PHE 67 CO 0.73 -0.15 -0.11 0.42 -0.10 0.00 0.00 175.22 176.01 3cfj s ILE 68 N -0.28 1.47 -0.16 0.64 1.01 -0.49 -4.97 121.20 118.43 3cfj s ILE 68 Ca 0.01 -0.68 -0.08 0.00 0.00 0.00 0.00 60.65 59.90 3cfj s ILE 68 Cb -0.12 -1.46 -0.04 0.00 0.01 0.00 0.00 42.46 40.85 3cfj s ILE 68 CO 0.02 0.34 0.13 -0.63 0.00 0.00 0.00 174.94 174.80 3cfj s ILE 69 N 1.51 5.42 0.35 2.92 1.01 -1.26 -0.48 121.20 130.67 3cfj s ILE 69 Ca 0.03 0.19 -0.01 0.00 0.00 0.00 0.00 60.65 60.86 3cfj s ILE 69 Cb -0.14 -3.41 0.00 0.00 0.01 0.00 0.00 42.46 38.92 3cfj s ILE 69 CO -0.09 0.53 0.47 -0.94 0.00 0.00 0.00 174.94 174.91 3cfj s SER 70 N -0.37 1.10 0.15 3.58 1.04 -1.03 -5.02 113.70 113.16 3cfj s SER 70 Ca 0.12 -1.56 -0.21 0.00 0.48 0.00 0.00 55.95 54.78 3cfj s SER 70 Cb -0.12 0.67 0.06 0.00 0.10 0.00 0.00 66.02 66.73 3cfj s SER 70 CO 0.01 -1.30 0.54 0.00 0.98 0.00 0.00 173.24 173.47 3cfj s ARG 71 N -2.99 1.22 -0.28 4.02 1.70 -1.26 -0.29 118.95 121.07 3cfj s ARG 71 Ca 0.32 -0.54 -0.04 0.00 -0.47 0.00 0.00 55.73 55.00 3cfj s ARG 71 Cb -0.00 0.56 0.10 0.00 -0.57 0.00 0.00 34.95 35.03 3cfj s ARG 71 CO 0.22 -0.52 0.12 0.34 -1.08 0.00 0.00 175.30 174.38 3cfj s ASP 72 N -2.77 3.52 0.49 -2.89 -1.08 -0.12 -4.99 116.67 108.84 3cfj s ASP 72 Ca 0.02 -1.29 0.24 0.00 -0.52 0.00 0.00 52.55 51.00 3cfj s ASP 72 Cb -0.00 -0.43 1.29 0.00 -1.46 0.00 0.00 42.92 42.32 3cfj s ASP 72 CO -0.13 -0.43 2.02 0.78 0.52 0.00 0.00 175.17 177.94 3cfj h ASN 73 N 8.36 0.00 0.44 -0.34 2.35 -1.92 -1.89 115.58 122.58 3cfj h ASN 73 Ca -0.19 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.51 3cfj h ASN 73 Cb 1.02 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.38 3cfj h ASN 73 CO 0.43 0.16 -0.27 0.00 -1.65 0.00 0.00 177.43 176.10 3cfj h ALA 74 N 1.84 1.31 -0.53 -0.83 0.00 -1.95 -2.84 119.26 116.27 3cfj h ALA 74 Ca -0.00 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.66 3cfj h ALA 74 Cb 0.39 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3cfj h ALA 74 CO 0.02 0.34 0.00 1.63 0.00 0.00 0.00 179.25 181.24 3cfj n LYS 75 N -3.87 2.99 -4.34 0.00 5.02 -0.74 -4.98 118.16 112.24 3cfj n LYS 75 Ca -0.02 -2.48 -0.34 0.00 -2.02 0.00 0.00 58.31 53.46 3cfj n LYS 75 Cb 0.36 -1.53 -0.08 0.00 -0.02 0.00 0.00 35.03 33.76 3cfj n LYS 75 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3cfj n ASN 76 N 0.93 -0.24 -4.00 4.39 3.02 -1.01 -4.70 115.26 113.65 3cfj n ASN 76 Ca 0.19 -1.22 -0.11 0.00 -0.03 0.00 0.00 54.58 53.41 3cfj n ASN 76 Cb 0.61 -1.83 -0.12 0.00 -0.61 0.00 0.00 39.78 37.84 3cfj n ASN 76 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3cfj s SER 77 N -4.00 0.48 0.07 6.41 1.04 -1.02 -0.65 113.70 116.03 3cfj s SER 77 Ca 0.29 -0.47 0.10 0.00 0.48 0.00 0.00 55.95 56.34 3cfj s SER 77 Cb -0.16 0.06 -0.03 0.00 0.10 0.00 0.00 66.02 65.98 3cfj s SER 77 CO 0.99 -0.23 -0.25 -0.22 0.98 0.00 0.00 173.24 174.51 3cfj s LEU 78 N -1.35 2.27 0.07 2.42 2.96 0.45 -0.94 118.68 124.55 3cfj s LEU 78 Ca -0.12 -0.62 0.06 0.00 -0.22 0.00 0.00 54.13 53.24 3cfj s LEU 78 Cb -0.09 -1.30 -0.03 0.00 0.50 0.00 0.00 46.19 45.27 3cfj s LEU 78 CO -0.00 0.24 -0.17 -0.31 -1.32 0.00 0.00 176.35 174.79 3cfj s TYR 79 N -0.89 1.44 -0.08 5.38 2.02 0.60 -0.14 117.35 125.66 3cfj s TYR 79 Ca 0.13 -0.42 -0.02 0.00 -0.37 0.00 0.00 57.07 56.39 3cfj s TYR 79 Cb -0.10 -0.81 0.03 0.00 -0.40 0.00 0.00 41.96 40.68 3cfj s TYR 79 CO 0.04 0.10 0.01 -1.17 -1.57 0.00 0.00 175.55 172.96 3cfj s LEU 80 N -1.66 0.63 -0.32 -1.29 2.96 -0.03 -2.46 118.68 116.52 3cfj s LEU 80 Ca 0.02 -0.16 -0.13 0.00 -0.22 0.00 0.00 54.13 53.63 3cfj s LEU 80 Cb -0.10 -0.45 -0.03 0.00 0.50 0.00 0.00 46.19 46.12 3cfj s LEU 80 CO 0.03 -0.21 0.28 -1.58 -1.32 0.00 0.00 176.35 173.55 3cfj s GLN 81 N 1.97 3.70 -0.19 1.98 2.00 0.37 0.11 119.66 129.59 3cfj s GLN 81 Ca 0.04 -0.41 -0.09 0.00 -2.00 0.00 0.00 55.36 52.91 3cfj s GLN 81 Cb -0.13 -3.75 -0.05 0.00 0.80 0.00 0.00 33.01 29.89 3cfj s GLN 81 CO -0.06 -0.38 0.10 -0.51 -0.50 0.00 0.00 175.29 173.94 3cfj s LEU 82 N 1.86 4.03 0.35 3.68 1.43 0.92 -1.39 118.68 129.56 3cfj s LEU 82 Ca 0.09 0.16 0.04 0.00 -1.03 0.00 0.00 54.13 53.39 3cfj s LEU 82 Cb -0.17 -2.03 -0.06 0.00 0.03 0.00 0.00 46.19 43.96 3cfj s LEU 82 CO 0.11 0.17 0.06 -0.44 0.23 0.00 0.00 176.35 176.48 3cfj s SER 82 N 0.40 2.67 -1.41 2.29 0.01 -0.64 -0.47 113.70 116.55 3cfj s SER 82 Ca 0.06 -1.43 -0.05 0.00 1.31 0.00 0.00 55.95 55.84 3cfj s SER 82 Cb -0.12 -0.01 0.00 0.00 0.21 0.00 0.00 66.02 66.10 3cfj s SER 82 CO -0.01 -0.64 0.35 0.54 0.41 0.00 0.00 173.24 173.89 3cfj n ARG 82 N -0.77 -2.13 -1.92 12.44 1.74 -1.15 -4.84 116.66 120.02 3cfj n ARG 82 Ca -0.04 0.29 -0.42 0.00 -0.77 0.00 0.00 57.85 56.91 3cfj n ARG 82 Cb 0.66 -4.03 -0.03 0.00 -1.02 0.00 0.00 32.46 28.05 3cfj n ARG 82 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3cfj s LEU 82 N -7.09 4.37 0.41 0.55 1.43 -0.95 -4.65 118.68 112.74 3cfj s LEU 82 Ca 0.09 2.65 0.04 0.00 -1.03 0.00 0.00 54.13 55.88 3cfj s LEU 82 Cb -0.04 -3.60 -0.05 0.00 0.03 0.00 0.00 46.19 42.53 3cfj s LEU 82 CO 0.93 -0.83 0.05 -0.13 0.23 0.00 0.00 176.35 176.60 3cfj s ARG 83 N 0.92 1.92 0.53 1.70 0.52 -1.26 0.63 118.95 123.92 3cfj s ARG 83 Ca 0.69 -2.14 0.25 0.00 -0.52 0.00 0.00 55.73 54.02 3cfj s ARG 83 Cb -0.44 -1.19 1.50 0.00 0.52 0.00 0.00 34.95 35.34 3cfj s ARG 83 CO 0.33 -0.25 2.13 0.66 0.02 0.00 0.00 175.30 178.19 3cfj h SER 84 N 1.77 0.00 0.90 0.23 4.64 -1.96 -0.87 113.55 118.26 3cfj h SER 84 Ca -0.41 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.91 3cfj h SER 84 Cb 1.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 3cfj h SER 84 CO 0.71 0.08 0.00 -0.33 -0.87 0.00 0.00 176.83 176.42 3cfj h GLU 85 N 0.00 0.00 -0.00 4.77 5.08 -1.96 -2.41 114.58 120.06 3cfj h GLU 85 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3cfj h GLU 85 Cb 0.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.44 3cfj h GLU 85 CO 0.01 0.00 -0.06 -0.25 -1.00 0.00 0.00 179.01 177.71 3cfj n ASP 86 N -2.75 0.53 -4.64 1.42 8.00 -0.33 -4.80 116.55 113.99 3cfj n ASP 86 Ca 0.01 -0.86 -0.43 0.00 0.71 0.00 0.00 54.79 54.23 3cfj n ASP 86 Cb 0.27 -0.05 -0.03 0.00 -0.02 0.00 0.00 41.12 41.30 3cfj n ASP 86 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 3cfj s SER 87 N -2.26 6.41 0.08 -2.24 0.01 -0.91 -4.88 113.70 109.91 3cfj s SER 87 Ca 0.36 1.91 -0.27 0.00 1.31 0.00 0.00 55.95 59.26 3cfj s SER 87 Cb 0.21 -2.53 0.09 0.00 0.21 0.00 0.00 66.02 64.00 3cfj s SER 87 CO 0.42 -1.19 1.12 0.00 0.41 0.00 0.00 173.24 174.00 3cfj s ALA 88 N 5.01 -1.93 -0.02 1.44 0.00 -0.41 -4.45 121.76 121.41 3cfj s ALA 88 Ca 0.75 0.34 -0.22 0.00 0.00 0.00 0.00 51.96 52.83 3cfj s ALA 88 Cb -0.29 0.53 -0.05 0.00 0.00 0.00 0.00 23.12 23.31 3cfj s ALA 88 CO 0.30 -1.05 0.66 -0.51 0.00 0.00 0.00 175.76 175.16 3cfj s LEU 89 N -3.02 4.39 -0.17 0.00 1.43 0.00 -1.52 118.68 119.79 3cfj s LEU 89 Ca 0.14 1.22 -0.04 0.00 -1.03 0.00 0.00 54.13 54.41 3cfj s LEU 89 Cb 0.01 -3.02 -0.03 0.00 0.03 0.00 0.00 46.19 43.18 3cfj s LEU 89 CO -0.00 0.02 -0.02 -0.31 0.23 0.00 0.00 176.35 176.27 3cfj s TYR 90 N 0.15 3.05 -0.09 0.29 1.51 -0.25 -0.71 117.35 121.29 3cfj s TYR 90 Ca 0.34 -0.33 0.02 0.00 -1.01 0.00 0.00 57.07 56.08 3cfj s TYR 90 Cb -0.18 -2.01 -0.02 0.00 -0.11 0.00 0.00 41.96 39.63 3cfj s TYR 90 CO 0.18 -0.10 -0.13 0.71 -1.11 0.00 0.00 175.55 175.10 3cfj s TYR 91 N 0.61 2.77 -0.16 2.71 2.02 0.44 -1.97 117.35 123.76 3cfj s TYR 91 Ca -0.01 -0.42 -0.20 0.00 -0.37 0.00 0.00 57.07 56.07 3cfj s TYR 91 Cb -0.14 -1.75 -0.03 0.00 -0.40 0.00 0.00 41.96 39.64 3cfj s TYR 91 CO 0.02 -0.03 0.58 0.00 -1.57 0.00 0.00 175.55 174.55 3cfj s VAL 93 N 1.35 0.45 -0.05 0.00 1.01 0.10 -1.03 120.40 122.23 3cfj s VAL 93 Ca 0.28 -0.13 -0.26 0.00 0.00 0.00 0.00 61.98 61.88 3cfj s VAL 93 Cb -0.16 -0.46 -0.03 0.00 0.00 0.00 0.00 36.38 35.73 3cfj s VAL 93 CO 0.11 0.18 0.80 -0.60 0.00 0.00 0.00 175.10 175.59 3cfj s ARG 94 N 0.59 4.47 -0.22 2.72 3.52 -0.02 -0.06 118.95 129.94 3cfj s ARG 94 Ca -0.07 1.06 -0.09 0.00 -0.13 0.00 0.00 55.73 56.50 3cfj s ARG 94 Cb -0.11 -3.46 -0.04 0.00 -1.56 0.00 0.00 34.95 29.78 3cfj s ARG 94 CO -0.00 -0.00 0.12 -1.17 -0.81 0.00 0.00 175.30 173.44 3cfj s LEU 95 N 0.96 3.95 -0.44 -0.88 2.96 -0.85 -2.00 118.68 122.39 3cfj s LEU 95 Ca 0.42 0.06 -0.16 0.00 -0.22 0.00 0.00 54.13 54.24 3cfj s LEU 95 Cb -0.19 -2.04 0.04 0.00 0.50 0.00 0.00 46.19 44.50 3cfj s LEU 95 CO 0.21 0.08 0.37 -0.62 -1.32 0.00 0.00 176.35 175.07 3cfj s ASP 96 N 0.93 6.14 0.60 3.68 2.15 0.16 -4.07 116.67 126.26 3cfj s ASP 96 Ca 0.06 -1.03 -0.07 0.00 0.43 0.00 0.00 52.55 51.94 3cfj s ASP 96 Cb -0.13 -2.18 0.00 0.00 -0.30 0.00 0.00 42.92 40.31 3cfj s ASP 96 CO 0.03 -0.56 0.92 0.12 -0.17 0.00 0.00 175.17 175.52 3cfj s PHE 97 N 1.76 3.31 -0.32 -5.34 5.36 -1.26 -2.09 117.98 119.40 3cfj s PHE 97 Ca 0.06 0.75 -0.09 0.00 -0.96 0.00 0.00 56.93 56.69 3cfj s PHE 97 Cb -0.21 -2.74 0.19 0.00 -0.34 0.00 0.00 43.02 39.92 3cfj s PHE 97 CO 0.09 -0.82 1.04 0.34 -1.46 0.00 0.00 175.22 174.42 3cfj s ASP 98 N -4.29 -0.35 0.13 6.13 -1.08 -1.26 -4.92 116.67 111.04 3cfj s ASP 98 Ca 0.54 -0.15 -0.21 0.00 -0.52 0.00 0.00 52.55 52.21 3cfj s ASP 98 Cb -0.11 0.54 -0.03 0.00 -1.46 0.00 0.00 42.92 41.86 3cfj s ASP 98 CO 0.46 -0.04 1.69 0.58 0.52 0.00 0.00 175.17 178.38 3cfj h VAL 99 N 3.57 0.72 0.00 1.11 2.07 -1.98 -2.29 116.25 119.45 3cfj h VAL 99 Ca -0.04 0.00 -0.13 0.00 0.82 0.00 0.00 66.70 67.35 3cfj h VAL 99 Cb 1.23 0.72 -0.02 0.00 -1.52 0.00 0.00 31.29 31.70 3cfj h VAL 99 CO -0.08 0.00 -0.60 1.88 0.02 0.00 0.00 177.57 178.80 3cfj h TYR 100 N -0.09 0.00 -0.00 1.57 0.05 -2.06 -2.77 116.97 113.67 3cfj h TYR 100 Ca 0.09 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.87 3cfj h TYR 100 Cb 0.22 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.96 3cfj h TYR 100 CO -0.23 0.60 -0.09 0.09 -1.05 0.00 0.00 178.16 177.48 3cfj n ASN 100 N -3.50 0.09 -2.85 3.88 3.02 -1.10 -5.25 115.26 109.54 3cfj n ASN 100 Ca 0.00 0.36 -0.00 0.00 -0.03 0.00 0.00 54.58 54.91 3cfj n ASN 100 Cb 0.67 -0.37 -0.00 0.00 -0.61 0.00 0.00 39.78 39.48 3cfj n ASN 100 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 3cfj n HIS 100 N -1.50 -2.85 0.00 3.10 8.25 -0.88 -5.09 115.22 116.25 3cfj n HIS 100 Ca 0.07 1.29 0.00 0.00 -0.26 0.00 0.00 57.72 58.82 3cfj n HIS 100 Cb 0.34 -3.13 0.00 0.00 1.12 0.00 0.00 29.99 28.32 3cfj n HIS 100 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 3cfj n TYR 100 N 0.94 0.00 -4.28 4.41 4.02 -1.26 -5.06 117.16 115.93 3cfj n TYR 100 Ca -0.02 0.00 -0.20 0.00 -0.01 0.00 0.00 57.90 57.68 3cfj n TYR 100 Cb 0.17 0.00 -0.13 0.00 -0.02 0.00 0.00 39.34 39.36 3cfj n TYR 100 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 176.86 175.99 3cfj s VAL 100 N 0.00 1.15 -0.92 -0.72 -7.23 -0.89 -4.97 120.40 106.81 3cfj s VAL 100 Ca 0.00 -1.15 -0.23 0.00 -1.81 0.00 0.00 61.98 58.79 3cfj s VAL 100 Cb 0.00 -1.07 0.07 0.00 0.56 0.00 0.00 36.38 35.94 3cfj s VAL 100 CO 0.00 -0.09 1.30 -0.76 -0.31 0.00 0.00 175.10 175.25 3cfj s LEU 100 N -1.42 3.90 -0.07 1.32 1.43 -1.26 -0.66 118.68 121.92 3cfj s LEU 100 Ca 0.00 -1.40 0.00 0.00 -1.03 0.00 0.00 54.13 51.70 3cfj s LEU 100 Cb -0.09 -2.51 -0.26 0.00 0.03 0.00 0.00 46.19 43.36 3cfj s LEU 100 CO 0.02 -1.45 0.56 -2.24 0.23 0.00 0.00 176.35 173.47 3cfj h ASP 101 N 9.58 0.28 -3.93 2.29 3.04 -1.78 -3.47 116.42 122.43 3cfj h ASP 101 Ca 0.08 -0.57 -0.60 0.00 -3.24 0.00 0.00 57.03 52.70 3cfj h ASP 101 Cb 1.02 -0.09 -0.31 0.00 -1.04 0.00 0.00 39.33 38.91 3cfj h ASP 101 CO 1.31 1.51 -0.85 -0.31 -2.04 0.00 0.00 179.24 178.85 3cfj s TYR 102 N -2.58 1.92 -0.01 4.15 1.51 -1.25 -5.01 117.35 116.07 3cfj s TYR 102 Ca -0.14 -0.56 0.06 0.00 -1.01 0.00 0.00 57.07 55.42 3cfj s TYR 102 Cb 0.07 -1.28 -0.01 0.00 -0.11 0.00 0.00 41.96 40.63 3cfj s TYR 102 CO 0.80 -0.18 -0.19 -1.58 -1.11 0.00 0.00 175.55 173.29 3cfj s TRP 103 N -0.02 1.71 0.80 2.71 0.52 -1.26 -0.84 118.94 122.55 3cfj s TRP 103 Ca -0.04 -0.33 -0.12 0.00 0.02 0.00 0.00 56.10 55.64 3cfj s TRP 103 Cb -0.12 -1.10 0.07 0.00 -1.15 0.00 0.00 33.47 31.16 3cfj s TRP 103 CO 0.03 -0.03 1.11 0.20 0.02 0.00 0.00 176.95 178.27 3cfj s GLY 104 N -0.44 1.62 0.52 0.98 0.00 -0.20 -4.89 107.32 104.90 3cfj s GLY 104 Ca 0.07 -0.29 0.28 0.00 0.00 0.00 0.00 44.72 44.78 3cfj s GLY 104 CO -0.01 0.15 2.07 1.46 0.00 0.00 0.00 173.10 176.77 3cfj h GLN 105 N -1.06 0.00 0.00 2.90 4.20 -1.91 -3.44 115.11 115.80 3cfj h GLN 105 Ca -0.47 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.24 3cfj h GLN 105 Cb 1.28 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.06 3cfj h GLN 105 CO 0.61 0.11 0.00 0.41 -0.67 0.00 0.00 178.83 179.29 3cfj n GLY 106 N -0.67 2.25 3.54 3.46 0.00 -1.26 -5.00 105.19 107.52 3cfj n GLY 106 Ca -0.02 -1.68 -0.32 0.00 0.00 0.00 0.00 46.02 44.00 3cfj n GLY 106 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3cfj s THR 107 N -1.67 3.36 -0.07 2.61 -4.23 -0.83 -4.87 115.64 109.93 3cfj s THR 107 Ca 0.00 -0.82 -0.18 0.00 -1.18 0.00 0.00 61.69 59.51 3cfj s THR 107 Cb 0.00 -2.42 -0.05 0.00 1.34 0.00 0.00 72.50 71.37 3cfj s THR 107 CO 0.00 0.44 0.48 -0.55 -0.54 0.00 0.00 174.62 174.45 3cfj s SER 108 N -1.23 6.75 -0.15 3.99 0.15 -1.26 -1.09 113.70 120.86 3cfj s SER 108 Ca 0.15 0.89 0.01 0.00 0.70 0.00 0.00 55.95 57.70 3cfj s SER 108 Cb -0.11 -2.29 0.02 0.00 -1.71 0.00 0.00 66.02 61.93 3cfj s SER 108 CO 0.05 0.09 -0.15 -0.69 1.20 0.00 0.00 173.24 173.74 3cfj s VAL 109 N 0.12 1.64 -0.15 4.45 1.01 -0.58 0.58 120.40 127.47 3cfj s VAL 109 Ca 0.26 -0.68 -0.00 0.00 0.00 0.00 0.00 61.98 61.56 3cfj s VAL 109 Cb -0.16 -1.53 -0.01 0.00 0.00 0.00 0.00 36.38 34.69 3cfj s VAL 109 CO 0.12 0.47 -0.13 -0.89 0.00 0.00 0.00 175.10 174.67 3cfj s THR 110 N 1.43 2.89 -0.34 3.92 2.01 -0.76 -1.29 115.64 123.50 3cfj s THR 110 Ca 0.04 -0.70 -0.12 0.00 0.31 0.00 0.00 61.69 61.22 3cfj s THR 110 Cb -0.13 -2.23 -0.01 0.00 0.01 0.00 0.00 72.50 70.15 3cfj s THR 110 CO -0.11 0.51 0.23 -0.69 -0.69 0.00 0.00 174.62 173.87 3cfj s VAL 111 N 0.67 5.12 -0.14 3.82 1.01 -1.26 -1.06 120.40 128.55 3cfj s VAL 111 Ca -0.07 -0.33 -0.30 0.00 0.00 0.00 0.00 61.98 61.28 3cfj s VAL 111 Cb -0.15 -3.66 0.12 0.00 0.00 0.00 0.00 36.38 32.68 3cfj s VAL 111 CO 0.02 -0.04 0.93 -0.55 0.00 0.00 0.00 175.10 175.47 3cfj s SER 112 N 1.69 -0.43 0.00 3.32 0.15 -0.69 -4.57 113.70 113.17 3cfj s SER 112 Ca 0.05 0.49 0.25 0.00 0.70 0.00 0.00 55.95 57.45 3cfj s SER 112 Cb -0.18 0.38 0.53 0.00 -1.71 0.00 0.00 66.02 65.04 3cfj s SER 112 CO 0.09 -0.39 1.42 -1.54 1.20 0.00 0.00 173.24 174.03 3cfj n SER 113 N 0.84 0.94 -4.79 5.45 3.41 -1.26 -4.26 113.62 113.95 3cfj n SER 113 Ca -0.12 -0.75 -0.33 0.00 -0.26 0.00 0.00 58.87 57.41 3cfj n SER 113 Cb 0.58 0.27 0.01 0.00 -0.26 0.00 0.00 64.21 64.81 3cfj n SER 113 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3cfj s ALA 114 N -2.70 2.69 0.44 7.33 0.00 -1.26 -5.03 121.76 123.23 3cfj s ALA 114 Ca 0.18 0.47 -0.06 0.00 0.00 0.00 0.00 51.96 52.56 3cfj s ALA 114 Cb 0.18 -3.26 -0.04 0.00 0.00 0.00 0.00 23.12 20.00 3cfj s ALA 114 CO 0.61 -0.86 0.74 -1.54 0.00 0.00 0.00 175.76 174.71 3cfj s SER 115 N -2.61 6.33 0.36 0.00 1.04 -1.26 -5.05 113.70 112.51 3cfj s SER 115 Ca 0.65 0.90 -0.28 0.00 0.48 0.00 0.00 55.95 57.70 3cfj s SER 115 Cb -0.17 -2.23 -0.11 0.00 0.10 0.00 0.00 66.02 63.61 3cfj s SER 115 CO 0.36 -0.49 1.45 -0.89 0.98 0.00 0.00 173.24 174.65 3cfj s THR 116 N -2.58 2.21 -0.03 2.02 2.01 -1.26 -4.81 115.64 113.21 3cfj s THR 116 Ca 0.47 0.21 -0.01 0.00 0.31 0.00 0.00 61.69 62.67 3cfj s THR 116 Cb -0.10 -3.13 0.03 0.00 0.01 0.00 0.00 72.50 69.30 3cfj s THR 116 CO 0.40 0.05 0.04 -0.75 -0.69 0.00 0.00 174.62 173.67 3cfj s LYS 117 N -1.90 -0.01 0.46 4.92 2.20 0.09 -4.95 119.74 120.55 3cfj s LYS 117 Ca 0.53 0.24 -0.19 0.00 -0.36 0.00 0.00 55.97 56.19 3cfj s LYS 117 Cb -0.45 -0.37 -0.10 0.00 -1.51 0.00 0.00 37.83 35.41 3cfj s LYS 117 CO 0.60 -0.22 0.95 0.20 -0.36 0.00 0.00 175.35 176.51 3cfj s GLY 118 N 1.43 2.25 0.62 5.54 0.00 -1.26 -1.23 107.32 114.66 3cfj s GLY 118 Ca -0.04 0.28 -0.12 0.00 0.00 0.00 0.00 44.72 44.83 3cfj s GLY 118 CO -0.03 0.55 1.03 2.56 0.00 0.00 0.00 173.10 177.21 3cfj s PRO 119 N -3.54 3.51 0.05 2.90 0.04 -1.26 -4.57 135.00 132.13 3cfj s PRO 119 Ca 0.60 0.84 -0.09 0.00 0.04 0.00 0.00 61.00 62.39 3cfj s PRO 119 Cb -0.09 -2.07 -0.05 0.00 0.04 0.00 0.00 34.50 32.32 3cfj s PRO 119 CO 0.21 -0.64 0.35 -1.12 0.04 0.00 0.00 177.00 175.84 3cfj s SER 120 N -3.88 6.59 -0.23 6.66 0.01 0.53 -4.91 113.70 118.47 3cfj s SER 120 Ca 0.57 0.71 -0.01 0.00 1.31 0.00 0.00 55.95 58.52 3cfj s SER 120 Cb -0.12 -2.15 0.02 0.00 0.21 0.00 0.00 66.02 63.98 3cfj s SER 120 CO 0.50 0.21 -0.09 -0.69 0.41 0.00 0.00 173.24 173.58 3cfj s VAL 121 N -1.35 2.78 -0.08 3.43 1.01 -1.26 -0.56 120.40 124.37 3cfj s VAL 121 Ca 0.31 -0.92 0.03 0.00 0.00 0.00 0.00 61.98 61.40 3cfj s VAL 121 Cb -0.14 -2.34 -0.02 0.00 0.00 0.00 0.00 36.38 33.89 3cfj s VAL 121 CO 0.17 0.31 -0.18 -0.36 0.00 0.00 0.00 175.10 175.04 3cfj s PHE 122 N 1.34 2.63 0.45 5.22 0.08 -0.33 -4.96 117.98 122.41 3cfj s PHE 122 Ca 0.02 -0.50 -0.22 0.00 0.12 0.00 0.00 56.93 56.34 3cfj s PHE 122 Cb -0.15 -1.68 -0.08 0.00 -0.57 0.00 0.00 43.02 40.53 3cfj s PHE 122 CO -0.06 -0.07 1.08 -1.25 -0.10 0.00 0.00 175.22 174.81 3cfj s PRO 123 N -0.22 3.92 -0.58 0.24 0.04 -1.26 -0.51 135.00 136.63 3cfj s PRO 123 Ca -0.00 1.53 -0.04 0.00 0.04 0.00 0.00 61.00 62.53 3cfj s PRO 123 Cb -0.13 -2.35 0.15 0.00 0.04 0.00 0.00 34.50 32.21 3cfj s PRO 123 CO 0.03 -0.36 0.40 -0.51 0.04 0.00 0.00 177.00 176.60 3cfj s LEU 124 N -3.05 5.35 0.18 -3.56 1.43 0.11 -4.79 118.68 114.35 3cfj s LEU 124 Ca 0.63 -2.61 -0.30 0.00 -1.03 0.00 0.00 54.13 50.82 3cfj s LEU 124 Cb -0.22 -1.88 -0.08 0.00 0.03 0.00 0.00 46.19 44.04 3cfj s LEU 124 CO 0.27 -0.44 1.28 0.00 0.23 0.00 0.00 176.35 177.69 3cfj s ALA 125 N 0.30 3.50 0.71 4.21 0.00 -1.26 -1.03 121.76 128.19 3cfj s ALA 125 Ca 0.14 1.05 -0.11 0.00 0.00 0.00 0.00 51.96 53.04 3cfj s ALA 125 Cb -0.21 -3.47 0.02 0.00 0.00 0.00 0.00 23.12 19.46 3cfj s ALA 125 CO -0.04 -0.50 1.07 -1.25 0.00 0.00 0.00 175.76 175.04 3cfj s PRO 126 N 0.07 2.83 0.00 0.00 0.04 -1.25 -4.85 135.00 131.84 3cfj s PRO 126 Ca 0.57 0.84 0.04 0.00 0.04 0.00 0.00 61.00 62.48 3cfj s PRO 126 Cb -0.35 -1.99 -0.01 0.00 0.04 0.00 0.00 34.50 32.19 3cfj s PRO 126 CO 0.36 -1.15 -0.11 0.45 0.04 0.00 0.00 177.00 176.59 3cfj s SER 127 N -3.89 1.32 0.33 6.66 0.15 -1.26 -1.90 113.70 115.12 3cfj s SER 127 Ca 0.58 -0.26 0.26 0.00 0.70 0.00 0.00 55.95 57.23 3cfj s SER 127 Cb -0.14 -0.13 1.15 0.00 -1.71 0.00 0.00 66.02 65.19 3cfj s SER 127 CO 0.55 0.10 1.77 0.77 1.20 0.00 0.00 173.24 177.63 3cfj h SER 128 N 5.64 0.00 0.38 5.45 4.64 -1.96 -2.57 113.55 125.13 3cfj h SER 128 Ca -0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.99 3cfj h SER 128 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 3cfj h SER 128 CO 0.48 0.00 -0.43 0.29 -0.87 0.00 0.00 176.83 176.30 3cfj n LYS 129 N -2.41 0.32 -1.93 4.77 5.02 -1.26 -4.41 118.16 118.27 3cfj n LYS 129 Ca 0.01 -0.19 -0.30 0.00 -2.02 0.00 0.00 58.31 55.81 3cfj n LYS 129 Cb 0.19 -1.50 0.03 0.00 -0.02 0.00 0.00 35.03 33.74 3cfj n LYS 129 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 3cfj n SER 130 N -1.17 5.94 -4.76 4.39 7.64 -0.97 -5.03 113.62 119.66 3cfj n SER 130 Ca 0.08 -3.77 -0.36 0.00 1.01 0.00 0.00 58.87 55.83 3cfj n SER 130 Cb 0.34 -0.63 -0.07 0.00 -1.01 0.00 0.00 64.21 62.84 3cfj n SER 130 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3cfj s THR 133 N -4.92 5.34 -0.05 0.44 -4.23 -1.26 -4.73 115.64 106.22 3cfj s THR 133 Ca 0.54 0.44 0.05 0.00 -1.18 0.00 0.00 61.69 61.54 3cfj s THR 133 Cb 0.44 -3.57 -0.01 0.00 1.34 0.00 0.00 72.50 70.70 3cfj s THR 133 CO -0.08 0.45 -0.20 -0.55 -0.54 0.00 0.00 174.62 173.69 3cfj s SER 134 N 0.11 2.55 -1.48 3.99 0.15 -0.77 -4.81 113.70 113.45 3cfj s SER 134 Ca 0.15 -0.43 -0.05 0.00 0.70 0.00 0.00 55.95 56.32 3cfj s SER 134 Cb -0.13 -0.76 0.02 0.00 -1.71 0.00 0.00 66.02 63.44 3cfj s SER 134 CO 0.03 0.18 0.49 0.61 1.20 0.00 0.00 173.24 175.76 3cfj n GLY 135 N 3.13 -0.51 2.69 9.45 0.00 -1.26 -1.59 105.19 117.10 3cfj n GLY 135 Ca -0.18 0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.94 3cfj n GLY 135 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cfj n GLY 136 N -1.35 0.93 3.50 -0.02 0.00 -1.26 -5.03 105.19 101.96 3cfj n GLY 136 Ca -0.10 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.67 3cfj n GLY 136 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3cfj s THR 137 N -3.69 2.45 0.04 2.61 -4.23 -0.62 -1.95 115.64 110.24 3cfj s THR 137 Ca 0.00 -2.33 0.05 0.00 -1.18 0.00 0.00 61.69 58.23 3cfj s THR 137 Cb 0.00 -2.43 -0.03 0.00 1.34 0.00 0.00 72.50 71.38 3cfj s THR 137 CO 0.00 -0.34 -0.09 0.00 -0.54 0.00 0.00 174.62 173.65 3cfj s ALA 138 N -2.53 2.93 0.01 3.99 0.00 0.66 -1.84 121.76 124.98 3cfj s ALA 138 Ca 0.31 -1.11 0.08 0.00 0.00 0.00 0.00 51.96 51.25 3cfj s ALA 138 Cb -0.03 -1.00 -0.02 0.00 0.00 0.00 0.00 23.12 22.06 3cfj s ALA 138 CO 0.16 0.62 -0.25 0.00 0.00 0.00 0.00 175.76 176.28 3cfj s ALA 139 N -1.04 2.08 0.11 0.00 0.00 -1.26 -1.09 121.76 120.56 3cfj s ALA 139 Ca 0.18 -1.14 -0.08 0.00 0.00 0.00 0.00 51.96 50.92 3cfj s ALA 139 Cb -0.11 -0.48 -0.01 0.00 0.00 0.00 0.00 23.12 22.52 3cfj s ALA 139 CO 0.09 0.50 0.20 -0.48 0.00 0.00 0.00 175.76 176.07 3cfj s LEU 140 N -0.92 1.34 0.00 0.00 0.05 -0.55 -3.87 118.68 114.74 3cfj s LEU 140 Ca 0.10 -0.77 0.00 0.00 0.05 0.00 0.00 54.13 53.51 3cfj s LEU 140 Cb -0.10 1.01 0.00 0.00 -2.05 0.00 0.00 46.19 45.05 3cfj s LEU 140 CO 0.01 -0.78 0.00 0.61 -0.55 0.00 0.00 176.35 175.64 3cfj n GLY 141 N -0.10 1.26 2.97 -3.48 0.00 -0.19 -0.36 105.19 105.28 3cfj n GLY 141 Ca -0.12 -0.74 -0.21 0.00 0.00 0.00 0.00 46.02 44.95 3cfj n GLY 141 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cfj s LEU 143 N 0.58 4.51 -0.63 0.00 2.96 0.33 -1.43 118.68 125.00 3cfj s LEU 143 Ca -0.10 -0.31 -0.15 0.00 -0.22 0.00 0.00 54.13 53.36 3cfj s LEU 143 Cb -0.13 -2.35 0.16 0.00 0.50 0.00 0.00 46.19 44.37 3cfj s LEU 143 CO 0.01 -0.38 0.59 -0.69 -1.32 0.00 0.00 176.35 174.56 3cfj s VAL 144 N 2.04 5.32 -0.04 1.68 1.01 0.90 -1.19 120.40 130.12 3cfj s VAL 144 Ca 0.12 -1.84 0.05 0.00 0.00 0.00 0.00 61.98 60.31 3cfj s VAL 144 Cb -0.17 -4.37 -0.02 0.00 0.00 0.00 0.00 36.38 31.82 3cfj s VAL 144 CO 0.12 -0.92 -0.17 -0.75 0.00 0.00 0.00 175.10 173.38 3cfj s LYS 145 N 1.11 2.39 -0.56 2.72 2.20 0.27 -1.47 119.74 126.40 3cfj s LYS 145 Ca 0.08 -0.76 -0.02 0.00 -0.36 0.00 0.00 55.97 54.91 3cfj s LYS 145 Cb -0.23 -2.29 -0.02 0.00 -1.51 0.00 0.00 37.83 33.77 3cfj s LYS 145 CO -0.01 0.61 0.51 -0.25 -0.36 0.00 0.00 175.35 175.84 3cfj n ASP 146 N 2.30 -5.20 -4.37 1.43 8.00 -0.56 -0.35 116.55 117.81 3cfj n ASP 146 Ca -0.17 -0.26 -0.21 0.00 0.71 0.00 0.00 54.79 54.86 3cfj n ASP 146 Cb 0.52 -3.53 -0.10 0.00 -0.02 0.00 0.00 41.12 37.99 3cfj n ASP 146 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 3cfj s TYR 147 N -3.13 1.89 -0.26 1.24 1.13 -0.82 -4.21 117.35 113.19 3cfj s TYR 147 Ca 0.15 -0.48 -0.19 0.00 -1.41 0.00 0.00 57.07 55.14 3cfj s TYR 147 Cb -0.02 -0.88 0.07 0.00 -1.10 0.00 0.00 41.96 40.03 3cfj s TYR 147 CO 0.46 0.43 0.66 0.12 -2.51 0.00 0.00 175.55 174.71 3cfj s PHE 148 N -2.55 -0.85 0.41 -3.49 5.36 -0.37 -0.60 117.98 115.89 3cfj s PHE 148 Ca 0.22 1.88 -0.01 0.00 -0.96 0.00 0.00 56.93 58.06 3cfj s PHE 148 Cb -0.03 0.40 0.08 0.00 -0.34 0.00 0.00 43.02 43.12 3cfj s PHE 148 CO 0.09 -0.42 0.56 -0.35 -1.46 0.00 0.00 175.22 173.63 3cfj n PRO 149 N 3.43 0.15 -0.83 10.12 -0.04 -1.26 -0.73 135.00 145.83 3cfj n PRO 149 Ca -0.17 -1.44 -0.31 0.00 -0.04 0.00 0.00 63.50 61.54 3cfj n PRO 149 Cb 0.57 -0.39 0.15 0.00 -0.04 0.00 0.00 33.50 33.79 3cfj n PRO 149 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 3cfj s GLU 150 N -3.92 1.26 0.56 0.54 0.41 -1.26 -4.79 118.70 111.50 3cfj s GLU 150 Ca 0.36 1.43 0.10 0.00 -0.41 0.00 0.00 54.97 56.45 3cfj s GLU 150 Cb -0.02 -1.76 0.08 0.00 -1.78 0.00 0.00 34.13 30.64 3cfj s GLU 150 CO 0.24 -2.42 0.77 -1.25 -0.49 0.00 0.00 175.26 172.11 3cfj s PRO 151 N -4.71 2.36 0.00 0.39 0.04 -1.26 -4.90 135.00 126.92 3cfj s PRO 151 Ca 0.65 -1.60 0.06 0.00 0.04 0.00 0.00 61.00 60.15 3cfj s PRO 151 Cb -0.21 -2.66 -0.02 0.00 0.04 0.00 0.00 34.50 31.65 3cfj s PRO 151 CO 0.58 -0.80 -0.18 0.54 0.04 0.00 0.00 177.00 177.18 3cfj s VAL 152 N -2.63 1.44 -0.10 -0.36 0.11 -1.26 -4.55 120.40 113.04 3cfj s VAL 152 Ca 0.61 -0.87 -0.04 0.00 -2.93 0.00 0.00 61.98 58.75 3cfj s VAL 152 Cb -0.06 -1.21 -0.04 0.00 -1.53 0.00 0.00 36.38 33.54 3cfj s VAL 152 CO 0.38 0.33 0.06 0.42 -3.33 0.00 0.00 175.10 172.96 3cfj s THR 153 N -0.53 4.80 -0.04 5.04 -4.23 0.07 -4.96 115.64 115.80 3cfj s THR 153 Ca 0.07 -0.06 0.02 0.00 -1.18 0.00 0.00 61.69 60.54 3cfj s THR 153 Cb -0.07 -3.06 0.01 0.00 1.34 0.00 0.00 72.50 70.72 3cfj s THR 153 CO -0.00 0.60 -0.09 -0.69 -0.54 0.00 0.00 174.62 173.90 3cfj s VAL 154 N -0.87 0.84 0.22 2.29 1.01 -1.26 -0.92 120.40 121.71 3cfj s VAL 154 Ca 0.13 -0.36 0.00 0.00 0.00 0.00 0.00 61.98 61.75 3cfj s VAL 154 Cb -0.12 -0.76 -0.04 0.00 0.00 0.00 0.00 36.38 35.46 3cfj s VAL 154 CO 0.03 0.27 0.15 -0.94 0.00 0.00 0.00 175.10 174.60 3cfj s SER 156 N 0.37 0.41 -0.09 3.32 1.04 -0.32 -4.98 113.70 113.44 3cfj s SER 156 Ca -0.06 -1.44 0.04 0.00 0.48 0.00 0.00 55.95 54.97 3cfj s SER 156 Cb -0.11 0.39 -0.00 0.00 0.10 0.00 0.00 66.02 66.40 3cfj s SER 156 CO 0.01 -0.86 -0.23 0.26 0.98 0.00 0.00 173.24 173.39 3cfj s TRP 157 N -4.05 2.55 -1.34 5.02 0.52 -1.26 -0.22 118.94 120.17 3cfj s TRP 157 Ca 0.39 -0.93 -0.02 0.00 0.02 0.00 0.00 56.10 55.56 3cfj s TRP 157 Cb 0.06 -1.69 -0.00 0.00 -1.15 0.00 0.00 33.47 30.69 3cfj s TRP 157 CO 0.14 -0.35 0.57 0.09 0.02 0.00 0.00 176.95 177.42 3cfj n ASN 162 N 3.37 -1.12 -2.74 2.95 3.02 0.42 -1.78 115.26 119.39 3cfj n ASN 162 Ca -0.19 -0.93 -0.21 0.00 -0.03 0.00 0.00 54.58 53.23 3cfj n ASN 162 Cb 0.53 -3.51 0.01 0.00 -0.61 0.00 0.00 39.78 36.19 3cfj n ASN 162 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 3cfj n SER 163 N -2.99 -5.55 0.00 6.41 7.64 -1.26 -1.12 113.62 116.74 3cfj n SER 163 Ca -0.29 -0.13 0.00 0.00 1.01 0.00 0.00 58.87 59.46 3cfj n SER 163 Cb 0.68 -4.57 0.00 0.00 -1.01 0.00 0.00 64.21 59.30 3cfj n SER 163 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3cfj n GLY 164 N -1.20 1.57 0.19 0.23 0.00 -0.73 -4.91 105.19 100.33 3cfj n GLY 164 Ca -0.16 0.00 0.04 0.00 0.00 0.00 0.00 46.02 45.89 3cfj n GLY 164 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cfj h ALA 165 N 0.00 1.20 -2.94 4.61 0.00 -1.01 -3.41 119.26 117.71 3cfj h ALA 165 Ca 0.00 -0.36 -0.67 0.00 0.00 0.00 0.00 54.91 53.88 3cfj h ALA 165 Cb 0.00 -0.06 -0.24 0.00 0.00 0.00 0.00 17.79 17.49 3cfj h ALA 165 CO 0.00 0.49 -0.59 -1.17 0.00 0.00 0.00 179.25 177.98 3cfj s LEU 166 N -7.69 3.92 0.00 0.00 2.96 -0.87 -4.91 118.68 112.08 3cfj s LEU 166 Ca -0.02 -0.56 0.00 0.00 -0.22 0.00 0.00 54.13 53.34 3cfj s LEU 166 Cb 0.13 -1.94 0.00 0.00 0.50 0.00 0.00 46.19 44.88 3cfj s LEU 166 CO 0.71 -0.17 0.00 0.35 -1.32 0.00 0.00 176.35 175.91 3cfj n THR 167 N 4.93 0.00 -1.95 3.68 -2.24 -1.26 -4.17 114.28 113.27 3cfj n THR 167 Ca -0.14 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.22 3cfj n THR 167 Cb 0.49 -0.42 -0.03 0.00 -2.10 0.00 0.00 70.33 68.28 3cfj n THR 167 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3cfj s SER 168 N -3.09 6.59 0.00 3.42 0.15 -1.26 -2.47 113.70 117.04 3cfj s SER 168 Ca 0.00 2.64 0.00 0.00 0.70 0.00 0.00 55.95 59.29 3cfj s SER 168 Cb 0.00 -2.60 0.00 0.00 -1.71 0.00 0.00 66.02 61.71 3cfj s SER 168 CO 0.00 -0.80 0.00 0.61 1.20 0.00 0.00 173.24 174.25 3cfj n GLY 169 N 3.35 0.66 3.75 9.45 0.00 -1.26 -4.82 105.19 116.32 3cfj n GLY 169 Ca 0.12 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.76 3cfj n GLY 169 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3cfj s VAL 171 N -2.44 5.08 -0.14 1.61 1.01 -1.03 -1.67 120.40 122.81 3cfj s VAL 171 Ca 0.00 1.04 -0.00 0.00 0.00 0.00 0.00 61.98 63.02 3cfj s VAL 171 Cb 0.00 -3.85 0.03 0.00 0.00 0.00 0.00 36.38 32.56 3cfj s VAL 171 CO 0.00 0.38 -0.09 -1.00 0.00 0.00 0.00 175.10 174.40 3cfj s HIS 172 N 0.16 1.76 -0.25 5.22 3.76 0.34 -5.00 115.29 121.28 3cfj s HIS 172 Ca 0.28 -0.99 -0.07 0.00 -0.15 0.00 0.00 55.06 54.12 3cfj s HIS 172 Cb -0.16 -1.36 -0.03 0.00 1.11 0.00 0.00 32.58 32.13 3cfj s HIS 172 CO 0.13 -0.59 0.07 0.99 -0.85 0.00 0.00 174.74 174.49 3cfj s THR 173 N 1.62 4.34 0.37 1.30 2.01 -1.26 -0.48 115.64 123.54 3cfj s THR 173 Ca 0.04 -0.16 -0.19 0.00 0.31 0.00 0.00 61.69 61.68 3cfj s THR 173 Cb -0.13 -3.03 -0.10 0.00 0.01 0.00 0.00 72.50 69.25 3cfj s THR 173 CO -0.09 0.34 0.86 -0.36 -0.69 0.00 0.00 174.62 174.68 3cfj s PHE 174 N 1.61 3.39 0.34 4.92 0.40 -0.41 -5.01 117.98 123.22 3cfj s PHE 174 Ca 0.06 1.47 -0.26 0.00 -0.60 0.00 0.00 56.93 57.60 3cfj s PHE 174 Cb -0.15 -2.73 -0.13 0.00 0.51 0.00 0.00 43.02 40.52 3cfj s PHE 174 CO 0.04 0.02 0.96 -0.35 0.70 0.00 0.00 175.22 176.59 3cfj n PRO 175 N -0.35 1.28 -1.69 0.24 -0.04 -1.26 -4.55 135.00 128.62 3cfj n PRO 175 Ca 0.05 0.45 -0.34 0.00 -0.04 0.00 0.00 63.50 63.62 3cfj n PRO 175 Cb 0.53 -1.86 0.06 0.00 -0.04 0.00 0.00 33.50 32.19 3cfj n PRO 175 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3cfj s ALA 176 N -1.16 2.34 0.04 0.55 0.00 -1.26 -4.77 121.76 117.50 3cfj s ALA 176 Ca 0.60 0.79 0.09 0.00 0.00 0.00 0.00 51.96 53.44 3cfj s ALA 176 Cb -0.65 -3.41 -0.03 0.00 0.00 0.00 0.00 23.12 19.03 3cfj s ALA 176 CO 0.59 -1.48 -0.26 0.54 0.00 0.00 0.00 175.76 175.15 3cfj s VAL 177 N -2.02 2.20 -0.33 0.00 0.11 0.63 -4.94 120.40 116.04 3cfj s VAL 177 Ca 0.72 -1.35 -0.13 0.00 -2.93 0.00 0.00 61.98 58.29 3cfj s VAL 177 Cb -0.26 -1.85 -0.02 0.00 -1.53 0.00 0.00 36.38 32.71 3cfj s VAL 177 CO 0.41 0.38 0.25 -0.22 -3.33 0.00 0.00 175.10 172.59 3cfj s LEU 178 N -1.21 4.42 0.73 2.54 2.96 -1.26 -0.97 118.68 125.89 3cfj s LEU 178 Ca 0.12 -0.31 -0.11 0.00 -0.22 0.00 0.00 54.13 53.61 3cfj s LEU 178 Cb -0.10 -2.17 0.03 0.00 0.50 0.00 0.00 46.19 44.45 3cfj s LEU 178 CO 0.02 -0.22 1.10 -1.10 -1.32 0.00 0.00 176.35 174.83 3cfj s GLN 179 N 1.78 2.66 0.23 1.98 -0.21 0.39 -4.93 119.66 121.57 3cfj s GLN 179 Ca 0.07 0.48 0.21 0.00 0.02 0.00 0.00 55.36 56.15 3cfj s GLN 179 Cb -0.17 -2.00 0.94 0.00 1.00 0.00 0.00 33.01 32.79 3cfj s GLN 179 CO 0.11 -1.18 1.65 -1.13 -2.12 0.00 0.00 175.29 172.62 3cfj n SER 180 N -3.11 0.56 0.00 5.90 3.41 -1.26 -1.44 113.62 117.68 3cfj n SER 180 Ca 0.07 0.66 0.12 0.00 -0.26 0.00 0.00 58.87 59.45 3cfj n SER 180 Cb 0.57 -0.77 0.60 0.00 -0.26 0.00 0.00 64.21 64.36 3cfj n SER 180 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3cfj n SER 182 N -2.14 0.00 0.00 4.04 3.41 -1.26 -4.88 113.62 112.79 3cfj n SER 182 Ca 0.02 -0.14 0.00 0.00 -0.26 0.00 0.00 58.87 58.49 3cfj n SER 182 Cb 0.18 -0.25 0.00 0.00 -0.26 0.00 0.00 64.21 63.88 3cfj n SER 182 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3cfj n GLY 183 N 0.67 0.80 3.67 5.00 0.00 -0.52 -5.05 105.19 109.74 3cfj n GLY 183 Ca 0.12 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.86 3cfj n GLY 183 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3cfj s LEU 184 N 0.00 3.35 0.33 0.99 1.43 -1.26 -4.87 118.68 118.66 3cfj s LEU 184 Ca 0.00 -0.32 -0.06 0.00 -1.03 0.00 0.00 54.13 52.72 3cfj s LEU 184 Cb 0.00 -2.04 -0.05 0.00 0.03 0.00 0.00 46.19 44.13 3cfj s LEU 184 CO 0.00 0.12 0.62 -0.31 0.23 0.00 0.00 176.35 177.01 3cfj s TYR 185 N -1.56 3.48 -0.06 0.29 2.02 0.23 -0.46 117.35 121.28 3cfj s TYR 185 Ca 0.26 0.74 -0.04 0.00 -0.37 0.00 0.00 57.07 57.67 3cfj s TYR 185 Cb -0.10 -2.19 0.03 0.00 -0.40 0.00 0.00 41.96 39.30 3cfj s TYR 185 CO 0.18 0.08 0.15 0.45 -1.57 0.00 0.00 175.55 174.84 3cfj s SER 186 N -3.22 -0.13 0.04 2.29 0.15 -0.14 -1.50 113.70 111.20 3cfj s SER 186 Ca 0.46 0.30 -0.01 0.00 0.70 0.00 0.00 55.95 57.40 3cfj s SER 186 Cb -0.11 0.24 -0.03 0.00 -1.71 0.00 0.00 66.02 64.41 3cfj s SER 186 CO 0.31 -0.11 -0.01 -1.48 1.20 0.00 0.00 173.24 173.15 3cfj s LEU 187 N 0.72 2.33 0.08 3.45 0.05 -0.54 -0.27 118.68 124.50 3cfj s LEU 187 Ca -0.05 -0.83 0.09 0.00 0.05 0.00 0.00 54.13 53.39 3cfj s LEU 187 Cb -0.07 0.24 -0.03 0.00 -2.05 0.00 0.00 46.19 44.28 3cfj s LEU 187 CO -0.04 -0.53 -0.24 -0.94 -0.55 0.00 0.00 176.35 174.06 3cfj s SER 188 N -2.51 3.44 -0.04 1.48 1.04 -1.26 -0.07 113.70 115.78 3cfj s SER 188 Ca 0.01 -0.59 0.03 0.00 0.48 0.00 0.00 55.95 55.87 3cfj s SER 188 Cb 0.03 -0.37 0.00 0.00 0.10 0.00 0.00 66.02 65.78 3cfj s SER 188 CO -0.07 0.23 -0.12 -0.55 0.98 0.00 0.00 173.24 173.70 3cfj s SER 189 N -1.62 1.64 0.05 7.02 0.15 -0.51 -1.28 113.70 119.14 3cfj s SER 189 Ca 0.14 -0.26 0.04 0.00 0.70 0.00 0.00 55.95 56.57 3cfj s SER 189 Cb -0.10 -0.53 -0.02 0.00 -1.71 0.00 0.00 66.02 63.65 3cfj s SER 189 CO 0.05 0.08 -0.13 -0.69 1.20 0.00 0.00 173.24 173.75 3cfj s VAL 190 N 0.27 0.99 -0.08 4.45 1.01 0.37 -0.70 120.40 126.71 3cfj s VAL 190 Ca -0.06 -1.12 0.03 0.00 0.00 0.00 0.00 61.98 60.83 3cfj s VAL 190 Cb -0.11 -0.94 0.01 0.00 0.00 0.00 0.00 36.38 35.33 3cfj s VAL 190 CO 0.02 -0.16 -0.16 -0.69 0.00 0.00 0.00 175.10 174.11 3cfj s VAL 191 N -1.09 1.45 -0.10 2.92 1.01 0.51 -0.51 120.40 124.59 3cfj s VAL 191 Ca -0.02 -0.66 -0.01 0.00 0.00 0.00 0.00 61.98 61.29 3cfj s VAL 191 Cb -0.09 -1.30 -0.03 0.00 0.00 0.00 0.00 36.38 34.97 3cfj s VAL 191 CO 0.02 0.43 -0.06 0.42 0.00 0.00 0.00 175.10 175.90 3cfj s THR 192 N 0.56 3.77 0.07 3.92 -4.23 -0.67 -1.48 115.64 117.58 3cfj s THR 192 Ca -0.16 -0.43 0.02 0.00 -1.18 0.00 0.00 61.69 59.94 3cfj s THR 192 Cb -0.17 -2.58 -0.03 0.00 1.34 0.00 0.00 72.50 71.06 3cfj s THR 192 CO 0.05 0.56 -0.07 0.68 -0.54 0.00 0.00 174.62 175.30 3cfj s VAL 193 N -0.36 0.62 0.11 2.29 -7.23 -0.25 -4.63 120.40 110.95 3cfj s VAL 193 Ca 0.05 -1.44 -0.34 0.00 -1.81 0.00 0.00 61.98 58.44 3cfj s VAL 193 Cb -0.12 -1.07 -0.14 0.00 0.56 0.00 0.00 36.38 35.61 3cfj s VAL 193 CO 0.02 -0.58 1.58 -2.65 -0.31 0.00 0.00 175.10 173.16 3cfj n PRO 194 N 0.83 1.97 -0.24 4.82 -0.02 -1.26 -0.24 135.00 140.86 3cfj n PRO 194 Ca -0.18 0.71 0.05 0.00 -2.02 0.00 0.00 63.50 62.06 3cfj n PRO 194 Cb 0.57 -2.47 0.17 0.00 -0.02 0.00 0.00 33.50 31.75 3cfj n PRO 194 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 3cfj h SER 195 N 6.08 -0.03 0.26 2.55 0.02 -1.67 -0.56 113.55 120.20 3cfj h SER 195 Ca -0.46 0.15 0.00 0.00 -0.84 0.00 0.00 61.79 60.64 3cfj h SER 195 Cb 1.27 0.21 0.00 0.00 0.14 0.00 0.00 62.40 64.02 3cfj h SER 195 CO 0.88 -0.05 0.00 -1.20 -1.14 0.00 0.00 176.83 175.32 3cfj n SER 196 N -5.17 0.00 -0.80 3.07 7.64 -1.26 -1.88 113.62 115.21 3cfj n SER 196 Ca 0.13 0.44 0.12 0.00 1.01 0.00 0.00 58.87 60.58 3cfj n SER 196 Cb 0.44 -0.46 0.20 0.00 -1.01 0.00 0.00 64.21 63.38 3cfj n SER 196 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 3cfj n SER 197 N -1.46 2.54 -0.02 6.43 3.41 -0.22 -4.68 113.62 119.62 3cfj n SER 197 Ca 0.02 -1.83 -0.11 0.00 -0.26 0.00 0.00 58.87 56.70 3cfj n SER 197 Cb 0.09 0.03 -0.05 0.00 -0.26 0.00 0.00 64.21 64.03 3cfj n SER 197 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3cfj h LEU 198 N 3.93 -1.17 -0.50 1.04 3.38 -1.46 -0.92 115.31 119.61 3cfj h LEU 198 Ca 0.00 0.17 0.00 0.00 0.09 0.00 0.00 57.88 58.14 3cfj h LEU 198 Cb 0.85 0.49 0.00 0.00 0.09 0.00 0.00 40.66 42.10 3cfj h LEU 198 CO 0.00 -0.39 0.00 0.61 0.09 0.00 0.00 178.44 178.75 3cfj n GLY 199 N -1.42 -0.22 0.01 0.83 0.00 -1.26 -3.84 105.19 99.30 3cfj n GLY 199 Ca -0.03 -0.10 0.12 0.00 0.00 0.00 0.00 46.02 46.00 3cfj n GLY 199 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3cfj n THR 200 N -0.18 0.07 -3.91 2.61 -2.24 -0.35 -4.95 114.28 105.34 3cfj n THR 200 Ca 0.03 -0.07 -0.10 0.00 -2.27 0.00 0.00 64.05 61.64 3cfj n THR 200 Cb 0.12 0.22 -0.11 0.00 -2.10 0.00 0.00 70.33 68.47 3cfj n THR 200 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3cfj s GLN 203 N -3.05 0.38 0.07 -0.78 -1.52 -1.25 -5.15 119.66 108.37 3cfj s GLN 203 Ca 0.09 -0.44 -0.10 0.00 -1.95 0.00 0.00 55.36 52.97 3cfj s GLN 203 Cb 0.16 0.15 -0.06 0.00 -0.22 0.00 0.00 33.01 33.05 3cfj s GLN 203 CO 0.72 -0.08 0.40 0.95 -0.25 0.00 0.00 175.29 177.03 3cfj s THR 205 N -1.29 5.09 -0.23 -0.19 -4.23 -1.26 -5.02 115.64 108.52 3cfj s THR 205 Ca -0.14 0.47 0.01 0.00 -1.18 0.00 0.00 61.69 60.85 3cfj s THR 205 Cb -0.08 -3.65 0.05 0.00 1.34 0.00 0.00 72.50 70.17 3cfj s THR 205 CO 0.00 0.30 -0.09 -0.31 -0.54 0.00 0.00 174.62 173.99 3cfj s TYR 206 N -1.38 2.63 -0.15 3.99 2.02 -1.26 -4.95 117.35 118.25 3cfj s TYR 206 Ca 0.32 -1.83 0.02 0.00 -0.37 0.00 0.00 57.07 55.21 3cfj s TYR 206 Cb -0.14 -1.70 0.01 0.00 -0.40 0.00 0.00 41.96 39.73 3cfj s TYR 206 CO 0.18 -0.79 -0.20 0.42 -1.57 0.00 0.00 175.55 173.59 3cfj s ILE 207 N 1.32 2.20 -0.12 2.71 1.01 -1.26 -0.28 121.20 126.78 3cfj s ILE 207 Ca -0.05 -0.92 -0.17 0.00 0.00 0.00 0.00 60.65 59.51 3cfj s ILE 207 Cb -0.18 -1.90 -0.04 0.00 0.01 0.00 0.00 42.46 40.35 3cfj s ILE 207 CO -0.07 0.54 0.44 0.00 0.00 0.00 0.00 174.94 175.85 3cfj s ASN 209 N 0.48 5.69 -0.16 0.00 -0.87 0.70 -1.39 114.94 119.38 3cfj s ASN 209 Ca 0.24 -0.81 -0.01 0.00 -1.57 0.00 0.00 52.86 50.71 3cfj s ASN 209 Cb -0.15 -2.02 -0.01 0.00 -0.02 0.00 0.00 41.25 39.05 3cfj s ASN 209 CO 0.09 -0.32 -0.11 -0.69 -2.57 0.00 0.00 177.10 173.51 3cfj s VAL 210 N 1.58 3.06 -0.09 1.60 1.01 0.10 -1.18 120.40 126.48 3cfj s VAL 210 Ca 0.03 -0.64 0.03 0.00 0.00 0.00 0.00 61.98 61.41 3cfj s VAL 210 Cb -0.18 -2.32 0.00 0.00 0.00 0.00 0.00 36.38 33.88 3cfj s VAL 210 CO 0.07 0.50 -0.21 0.21 0.00 0.00 0.00 175.10 175.66 3cfj s ASN 211 N 0.73 2.78 -0.47 3.32 2.47 -0.10 -0.74 114.94 122.94 3cfj s ASN 211 Ca -0.05 -0.50 0.03 0.00 0.42 0.00 0.00 52.86 52.76 3cfj s ASN 211 Cb -0.15 -1.27 0.14 0.00 -1.45 0.00 0.00 41.25 38.51 3cfj s ASN 211 CO 0.02 0.12 0.26 -2.28 -3.72 0.00 0.00 177.10 171.50 3cfj s HIS 212 N 0.45 2.32 0.21 0.43 5.65 0.44 -0.75 115.29 124.04 3cfj s HIS 212 Ca -0.17 -2.64 -0.11 0.00 0.25 0.00 0.00 55.06 52.39 3cfj s HIS 212 Cb -0.17 -2.13 0.30 0.00 -1.18 0.00 0.00 32.58 29.40 3cfj s HIS 212 CO 0.07 -0.76 1.67 0.87 -0.65 0.00 0.00 174.74 175.94 3cfj h LYS 213 N 6.60 0.14 -0.23 2.88 1.57 -1.82 -2.09 116.57 123.62 3cfj h LYS 213 Ca -0.01 -0.01 0.06 0.00 -1.87 0.00 0.00 60.65 58.82 3cfj h LYS 213 Cb 0.91 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.18 3cfj h LYS 213 CO 0.54 0.09 0.16 -1.35 -0.57 0.00 0.00 179.45 178.32 3cfj h PRO 214 N 0.14 0.03 -0.36 3.15 0.11 -1.92 -0.43 132.00 132.73 3cfj h PRO 214 Ca 0.32 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.43 3cfj h PRO 214 Cb 0.51 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.62 3cfj h PRO 214 CO -0.50 0.02 0.00 -1.13 -0.21 0.00 0.00 178.00 176.18 3cfj n SER 215 N -4.48 3.10 -4.01 -2.05 3.41 -1.00 -4.98 113.62 103.61 3cfj n SER 215 Ca 0.02 -1.90 -0.31 0.00 -0.26 0.00 0.00 58.87 56.42 3cfj n SER 215 Cb 0.28 -0.23 0.00 0.00 -0.26 0.00 0.00 64.21 64.00 3cfj n SER 215 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3cfj n ASN 216 N 1.05 -3.63 -4.57 4.04 4.13 -0.17 -4.92 115.26 111.18 3cfj n ASN 216 Ca 0.15 -0.88 -0.39 0.00 1.68 0.00 0.00 54.58 55.14 3cfj n ASN 216 Cb 0.49 -3.43 -0.10 0.00 -1.54 0.00 0.00 39.78 35.20 3cfj n ASN 216 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 3cfj s THR 217 N -3.38 5.26 -0.20 3.41 2.01 -0.93 -4.98 115.64 116.83 3cfj s THR 217 Ca 0.59 0.14 -0.02 0.00 0.31 0.00 0.00 61.69 62.70 3cfj s THR 217 Cb -0.31 -3.64 -0.00 0.00 0.01 0.00 0.00 72.50 68.56 3cfj s THR 217 CO 0.87 0.12 -0.09 -0.54 -0.69 0.00 0.00 174.62 174.30 3cfj s LYS 218 N 1.85 3.29 -0.07 4.92 1.02 -1.26 -0.42 119.74 129.06 3cfj s LYS 218 Ca 0.09 -0.68 0.03 0.00 0.02 0.00 0.00 55.97 55.43 3cfj s LYS 218 Cb -0.16 -2.88 0.01 0.00 -0.52 0.00 0.00 37.83 34.28 3cfj s LYS 218 CO 0.11 -0.17 -0.15 0.08 -0.92 0.00 0.00 175.35 174.29 3cfj s VAL 219 N 1.36 1.36 -0.33 3.17 1.01 0.08 -5.00 120.40 122.03 3cfj s VAL 219 Ca 0.04 -0.62 -0.06 0.00 0.00 0.00 0.00 61.98 61.34 3cfj s VAL 219 Cb -0.14 -1.21 0.04 0.00 0.00 0.00 0.00 36.38 35.07 3cfj s VAL 219 CO -0.05 0.40 0.09 -1.81 0.00 0.00 0.00 175.10 173.73 3cfj s ASP 220 N 0.48 5.26 -0.23 3.32 1.01 -1.26 -0.72 116.67 124.53 3cfj s ASP 220 Ca -0.13 -1.13 -0.04 0.00 0.71 0.00 0.00 52.55 51.95 3cfj s ASP 220 Cb -0.15 -1.85 -0.01 0.00 1.01 0.00 0.00 42.92 41.91 3cfj s ASP 220 CO 0.04 -0.31 -0.03 -0.75 0.21 0.00 0.00 175.17 174.33 3cfj s LYS 221 N 1.39 3.38 -0.01 8.23 2.47 -0.49 -4.96 119.74 129.76 3cfj s LYS 221 Ca -0.02 -0.63 -0.30 0.00 -1.56 0.00 0.00 55.97 53.46 3cfj s LYS 221 Cb -0.19 -3.05 -0.04 0.00 -1.46 0.00 0.00 37.83 33.08 3cfj s LYS 221 CO 0.02 -0.21 1.18 0.21 0.16 0.00 0.00 175.35 176.71 3cfj s LYS 222 N 1.49 4.40 -0.36 4.03 2.20 -1.26 -1.09 119.74 129.14 3cfj s LYS 222 Ca 0.06 1.68 -0.10 0.00 -0.36 0.00 0.00 55.97 57.25 3cfj s LYS 222 Cb -0.14 -3.48 0.03 0.00 -1.51 0.00 0.00 37.83 32.73 3cfj s LYS 222 CO -0.02 -0.35 0.18 0.08 -0.36 0.00 0.00 175.35 174.88 3cfj s VAL 223 N 1.71 4.41 -0.14 4.02 1.01 0.62 -4.93 120.40 127.10 3cfj s VAL 223 Ca 0.56 -0.90 -0.08 0.00 0.00 0.00 0.00 61.98 61.56 3cfj s VAL 223 Cb -0.26 -3.46 -0.04 0.00 0.00 0.00 0.00 36.38 32.62 3cfj s VAL 223 CO 0.25 -0.21 0.13 -1.61 0.00 0.00 0.00 175.10 173.66 3cfj s GLU 226 N 1.52 3.64 -0.13 2.72 0.41 -1.26 -4.40 118.70 121.20 3cfj s GLU 226 Ca 0.01 -0.16 -0.37 0.00 -0.41 0.00 0.00 54.97 54.05 3cfj s GLU 226 Cb -0.19 -3.25 -0.14 0.00 -1.78 0.00 0.00 34.13 28.77 3cfj s GLU 226 CO 0.06 0.65 1.75 -2.30 -0.49 0.00 0.00 175.26 174.93 3cfj n PRO 227 N 2.40 1.67 0.00 0.39 -0.02 -1.26 -4.33 135.00 133.85 3cfj n PRO 227 Ca -0.19 0.61 0.00 0.00 -2.02 0.00 0.00 63.50 61.90 3cfj n PRO 227 Cb 0.54 -2.37 0.00 0.00 -0.02 0.00 0.00 33.50 31.66 3cfj n PRO 227 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11