#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 3.62 -0.02 6.31 1.01 -1.26 -3.92 120.40 126.14 3cfj s VAL 2 Ca 0.00 0.87 0.03 0.00 0.00 0.00 0.00 61.98 62.89 3cfj s VAL 2 Cb 0.00 -3.56 -0.00 0.00 0.00 0.00 0.00 36.38 32.81 3cfj s VAL 2 CO 0.00 -0.05 -0.12 -0.54 0.00 0.00 0.00 175.10 174.40 3cfj s LYS 3 N 3.33 1.05 -0.34 2.72 1.02 -0.28 -5.00 119.74 122.25 3cfj s LYS 3 Ca 0.69 -0.41 -0.01 0.00 0.02 0.00 0.00 55.97 56.26 3cfj s LYS 3 Cb -0.32 -0.99 0.12 0.00 -0.52 0.00 0.00 37.83 36.11 3cfj s LYS 3 CO 0.27 0.21 0.16 -0.51 -0.92 0.00 0.00 175.35 174.56 3cfj s LEU 4 N -0.10 1.77 -0.30 3.17 1.43 -1.26 -1.86 118.68 121.54 3cfj s LEU 4 Ca 0.01 -1.91 -0.09 0.00 -1.03 0.00 0.00 54.13 51.11 3cfj s LEU 4 Cb -0.07 -0.71 -0.01 0.00 0.03 0.00 0.00 46.19 45.43 3cfj s LEU 4 CO 0.00 -0.36 0.14 -0.76 0.23 0.00 0.00 176.35 175.60 3cfj s LEU 5 N 1.31 4.00 0.35 1.79 1.43 -0.58 -4.23 118.68 122.74 3cfj s LEU 5 Ca 0.13 -0.45 -0.07 0.00 -1.03 0.00 0.00 54.13 52.71 3cfj s LEU 5 Cb -0.20 -1.99 -0.05 0.00 0.03 0.00 0.00 46.19 43.97 3cfj s LEU 5 CO -0.16 -0.16 0.65 -1.61 0.23 0.00 0.00 176.35 175.29 3cfj s GLU 6 N 1.62 3.67 0.33 1.70 8.01 -1.26 -1.60 118.70 131.18 3cfj s GLU 6 Ca 0.05 0.17 -0.16 0.00 0.01 0.00 0.00 54.97 55.05 3cfj s GLU 6 Cb -0.17 -2.54 0.03 0.00 -4.31 0.00 0.00 34.13 27.15 3cfj s GLU 6 CO 0.06 0.09 0.70 -1.54 0.01 0.00 0.00 175.26 174.59 3cfj s SER 7 N -3.26 0.01 0.00 -0.19 1.04 -0.36 -4.88 113.70 106.06 3cfj s SER 7 Ca 0.47 -0.99 0.00 0.00 0.48 0.00 0.00 55.95 55.91 3cfj s SER 7 Cb -0.10 0.77 0.00 0.00 0.10 0.00 0.00 66.02 66.78 3cfj s SER 7 CO 0.32 -1.49 0.00 0.61 0.98 0.00 0.00 173.24 173.66 3cfj n GLY 8 N -0.50 0.43 0.89 7.32 0.00 -1.26 -1.50 105.19 110.57 3cfj n GLY 8 Ca -0.05 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.90 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 -1.51 -1.66 0.00 -0.02 0.00 -1.26 -4.68 105.19 96.06 3cfj n GLY 9 Ca 0.00 -1.60 0.00 0.00 0.00 0.00 0.00 46.02 44.42 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 2.20 0.54 3.72 -0.02 0.00 0.16 -4.96 105.19 106.82 3cfj n GLY 10 Ca 0.04 -2.25 -0.42 0.00 0.00 0.00 0.00 46.02 43.39 3cfj n GLY 10 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3cfj s LEU 11 N 0.00 4.40 0.02 0.99 2.96 -1.26 -1.84 118.68 123.94 3cfj s LEU 11 Ca 0.00 1.65 0.04 0.00 -0.22 0.00 0.00 54.13 55.60 3cfj s LEU 11 Cb 0.00 -3.53 -0.01 0.00 0.50 0.00 0.00 46.19 43.14 3cfj s LEU 11 CO 0.00 -0.20 -0.11 0.00 -1.32 0.00 0.00 176.35 174.72 3cfj s ALA 12 N 0.75 0.93 0.35 5.97 0.00 -0.11 -4.96 121.76 124.69 3cfj s ALA 12 Ca 0.50 -0.62 -0.25 0.00 0.00 0.00 0.00 51.96 51.59 3cfj s ALA 12 Cb -0.21 -0.17 -0.10 0.00 0.00 0.00 0.00 23.12 22.64 3cfj s ALA 12 CO 0.28 0.18 0.95 -0.65 0.00 0.00 0.00 175.76 176.52 3cfj s GLN 13 N -0.73 4.48 0.29 0.00 -0.21 -1.26 -1.39 119.66 120.84 3cfj s GLN 13 Ca 0.01 1.28 -0.29 0.00 0.02 0.00 0.00 55.36 56.38 3cfj s GLN 13 Cb -0.06 -2.63 -0.13 0.00 1.00 0.00 0.00 33.01 31.18 3cfj s GLN 13 CO 0.00 0.19 1.19 -2.30 -2.12 0.00 0.00 175.29 172.25 3cfj n PRO 14 N 0.23 1.73 0.00 2.91 -0.02 -1.26 -1.44 135.00 137.15 3cfj n PRO 14 Ca 0.03 0.61 0.00 0.00 -2.02 0.00 0.00 63.50 62.12 3cfj n PRO 14 Cb 0.51 -2.11 0.00 0.00 -0.02 0.00 0.00 33.50 31.88 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 1.28 2.67 3.91 -1.23 0.00 0.40 -4.90 105.19 107.31 3cfj n GLY 15 Ca 0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.81 3cfj n GLY 15 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3cfj s GLY 16 N -1.81 1.80 0.29 -0.02 0.00 -0.52 -4.05 107.32 103.00 3cfj s GLY 16 Ca 0.00 -1.28 0.08 0.00 0.00 0.00 0.00 44.72 43.51 3cfj s GLY 16 CO 0.00 -0.45 -0.08 -1.35 0.00 0.00 0.00 173.10 171.22 3cfj s SER 17 N -4.86 3.00 -0.11 1.64 1.04 -1.26 -1.51 113.70 111.65 3cfj s SER 17 Ca 0.76 -1.17 -0.22 0.00 0.48 0.00 0.00 55.95 55.80 3cfj s SER 17 Cb -0.03 -0.21 0.05 0.00 0.10 0.00 0.00 66.02 65.93 3cfj s SER 17 CO 0.54 -0.27 0.53 -0.22 0.98 0.00 0.00 173.24 174.80 3cfj s LEU 18 N -3.47 -0.04 -0.24 2.42 2.96 0.50 -4.99 118.68 115.82 3cfj s LEU 18 Ca 0.30 0.72 0.02 0.00 -0.22 0.00 0.00 54.13 54.95 3cfj s LEU 18 Cb 0.03 1.95 0.05 0.00 0.50 0.00 0.00 46.19 48.71 3cfj s LEU 18 CO 0.13 -0.39 -0.13 -0.75 -1.32 0.00 0.00 176.35 173.89 3cfj s LYS 19 N -0.60 2.46 0.17 1.98 2.20 -1.26 0.24 119.74 124.93 3cfj s LYS 19 Ca -0.07 -1.20 -0.06 0.00 -0.36 0.00 0.00 55.97 54.28 3cfj s LYS 19 Cb -0.03 -2.82 -0.06 0.00 -1.51 0.00 0.00 37.83 33.41 3cfj s LYS 19 CO 0.05 -0.47 0.42 -0.51 -0.36 0.00 0.00 175.35 174.48 3cfj s LEU 20 N 1.16 4.23 0.05 5.43 1.43 0.12 -4.57 118.68 126.54 3cfj s LEU 20 Ca -0.05 0.67 0.01 0.00 -1.03 0.00 0.00 54.13 53.73 3cfj s LEU 20 Cb -0.18 -3.41 -0.03 0.00 0.03 0.00 0.00 46.19 42.60 3cfj s LEU 20 CO -0.07 0.01 -0.05 -0.94 0.23 0.00 0.00 176.35 175.53 3cfj s SER 21 N -2.46 0.73 -0.04 2.29 1.04 -0.56 -0.72 113.70 113.97 3cfj s SER 21 Ca 0.43 -0.77 -0.02 0.00 0.48 0.00 0.00 55.95 56.07 3cfj s SER 21 Cb -0.12 0.10 0.03 0.00 0.10 0.00 0.00 66.02 66.14 3cfj s SER 21 CO 0.24 -0.39 0.08 0.00 0.98 0.00 0.00 173.24 174.15 3cfj s ALA 23 N 1.96 3.72 0.13 0.00 0.00 -0.63 0.03 121.76 126.98 3cfj s ALA 23 Ca 0.02 -0.68 0.10 0.00 0.00 0.00 0.00 51.96 51.40 3cfj s ALA 23 Cb -0.12 -1.97 -0.04 0.00 0.00 0.00 0.00 23.12 20.98 3cfj s ALA 23 CO -0.04 0.45 -0.23 0.00 0.00 0.00 0.00 175.76 175.94 3cfj s ALA 24 N -0.50 2.51 0.18 0.00 0.00 0.78 -1.53 121.76 123.20 3cfj s ALA 24 Ca 0.12 -1.43 -0.20 0.00 0.00 0.00 0.00 51.96 50.45 3cfj s ALA 24 Cb -0.12 -0.49 0.05 0.00 0.00 0.00 0.00 23.12 22.56 3cfj s ALA 24 CO 0.02 0.56 0.56 -1.54 0.00 0.00 0.00 175.76 175.35 3cfj s SER 25 N -2.12 -0.40 0.00 0.00 1.04 -0.78 -4.79 113.70 106.65 3cfj s SER 25 Ca 0.16 -0.25 0.00 0.00 0.48 0.00 0.00 55.95 56.34 3cfj s SER 25 Cb -0.10 0.58 0.00 0.00 0.10 0.00 0.00 66.02 66.60 3cfj s SER 25 CO 0.08 -1.01 0.00 0.61 0.98 0.00 0.00 173.24 173.90 3cfj n GLY 26 N -0.35 1.07 3.41 7.32 0.00 -1.25 -1.12 105.19 114.26 3cfj n GLY 26 Ca -0.14 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.94 0.78 -1.30 1.61 -0.71 -1.26 -4.51 117.98 109.65 3cfj s PHE 27 Ca 0.00 -1.06 -0.18 0.00 -1.04 0.00 0.00 56.93 54.65 3cfj s PHE 27 Cb 0.00 -0.17 0.06 0.00 -1.21 0.00 0.00 43.02 41.70 3cfj s PHE 27 CO 0.00 -0.85 1.77 -3.47 -1.34 0.00 0.00 175.22 171.33 3cfj n ASP 28 N -0.41 4.82 -0.34 1.98 2.03 -1.26 -4.84 116.55 118.53 3cfj n ASP 28 Ca 0.00 -2.91 0.20 0.00 0.52 0.00 0.00 54.79 52.60 3cfj n ASP 28 Cb 0.64 -1.74 0.42 0.00 -0.72 0.00 0.00 41.12 39.71 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 7.57 0.97 -1.00 -0.67 3.57 -1.95 -0.42 116.94 125.00 3cfj h PHE 29 Ca 0.45 0.04 0.27 0.00 3.53 0.00 0.00 57.97 62.25 3cfj h PHE 29 Cb 0.86 -0.27 -0.06 0.00 2.79 0.00 0.00 35.95 39.27 3cfj h PHE 29 CO 1.42 0.01 0.69 0.00 -2.23 0.00 0.00 178.31 178.21 3cfj h ARG 30 N 0.51 0.16 -0.00 1.11 3.08 -1.88 -2.65 114.38 114.71 3cfj h ARG 30 Ca 0.66 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.70 3cfj h ARG 30 Cb 1.36 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 31.38 3cfj h ARG 30 CO -0.49 0.11 -0.55 0.54 -1.07 0.00 0.00 179.97 178.50 3cfj n ARG 31 N -4.38 0.04 -4.45 0.04 1.74 -0.17 -4.66 116.66 104.82 3cfj n ARG 31 Ca 0.22 -0.02 -0.34 0.00 -0.77 0.00 0.00 57.85 56.93 3cfj n ARG 31 Cb 0.97 -1.50 -0.10 0.00 -1.02 0.00 0.00 32.46 30.81 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 -2.98 3.08 0.45 -1.55 1.51 -1.00 -4.86 117.35 112.00 3cfj s TYR 32 Ca 0.11 0.13 -0.24 0.00 -1.01 0.00 0.00 57.07 56.06 3cfj s TYR 32 Cb 0.17 -1.75 -0.07 0.00 -0.11 0.00 0.00 41.96 40.20 3cfj s TYR 32 CO 0.71 0.43 1.26 -1.58 -1.11 0.00 0.00 175.55 175.26 3cfj s TRP 33 N -0.88 2.74 0.12 2.71 0.52 -1.26 -4.09 118.94 118.80 3cfj s TRP 33 Ca 0.14 1.45 0.09 0.00 0.02 0.00 0.00 56.10 57.79 3cfj s TRP 33 Cb -0.11 -3.59 -0.04 0.00 -1.15 0.00 0.00 33.47 28.58 3cfj s TRP 33 CO 0.03 -2.04 -0.21 -1.64 0.02 0.00 0.00 176.95 173.11 3cfj s MET 34 N -2.53 1.20 0.03 4.98 -1.94 -0.42 -1.99 119.30 118.63 3cfj s MET 34 Ca 0.62 -1.24 0.03 0.00 -1.71 0.00 0.00 55.69 53.39 3cfj s MET 34 Cb -0.35 -1.46 -0.02 0.00 2.01 0.00 0.00 34.83 35.01 3cfj s MET 34 CO 0.44 0.33 -0.11 0.99 -0.01 0.00 0.00 175.02 176.66 3cfj s THR 35 N -1.32 0.81 -0.14 2.05 2.01 0.91 -0.75 115.64 119.22 3cfj s THR 35 Ca 0.09 -0.83 -0.04 0.00 0.31 0.00 0.00 61.69 61.23 3cfj s THR 35 Cb -0.09 -0.76 -0.03 0.00 0.01 0.00 0.00 72.50 71.63 3cfj s THR 35 CO 0.05 -0.06 -0.02 0.26 -0.69 0.00 0.00 174.62 174.17 3cfj s TRP 36 N -0.80 3.08 0.04 4.92 0.52 -0.60 -0.44 118.94 125.65 3cfj s TRP 36 Ca -0.01 -0.14 0.05 0.00 0.02 0.00 0.00 56.10 56.02 3cfj s TRP 36 Cb -0.07 -1.93 -0.02 0.00 -1.15 0.00 0.00 33.47 30.30 3cfj s TRP 36 CO 0.01 0.11 -0.14 0.08 0.02 0.00 0.00 176.95 177.02 3cfj s VAL 37 N 0.07 1.11 0.15 4.03 1.01 -0.38 -0.81 120.40 125.58 3cfj s VAL 37 Ca 0.01 -1.03 0.06 0.00 0.00 0.00 0.00 61.98 61.01 3cfj s VAL 37 Cb -0.13 -1.01 -0.04 0.00 0.00 0.00 0.00 36.38 35.19 3cfj s VAL 37 CO 0.02 -0.02 -0.13 0.00 0.00 0.00 0.00 175.10 174.97 3cfj s ARG 38 N -1.21 1.10 -0.18 2.72 1.70 0.42 0.12 118.95 123.62 3cfj s ARG 38 Ca 0.01 -1.39 -0.04 0.00 -0.47 0.00 0.00 55.73 53.84 3cfj s ARG 38 Cb -0.08 -0.84 0.08 0.00 -0.57 0.00 0.00 34.95 33.53 3cfj s ARG 38 CO 0.01 0.14 0.16 -1.14 -1.08 0.00 0.00 175.30 173.39 3cfj s GLN 39 N -3.28 0.13 0.56 3.89 0.74 -0.07 -0.65 119.66 120.98 3cfj s GLN 39 Ca 0.15 0.11 -0.18 0.00 0.05 0.00 0.00 55.36 55.48 3cfj s GLN 39 Cb -0.01 -1.41 -0.05 0.00 1.10 0.00 0.00 33.01 32.64 3cfj s GLN 39 CO 0.03 -0.64 1.09 0.00 -0.55 0.00 0.00 175.29 175.22 3cfj s ALA 40 N 2.25 2.70 0.04 1.58 0.00 -1.26 -1.15 121.76 125.92 3cfj s ALA 40 Ca 0.05 0.65 -0.36 0.00 0.00 0.00 0.00 51.96 52.30 3cfj s ALA 40 Cb -0.16 -3.31 -0.15 0.00 0.00 0.00 0.00 23.12 19.51 3cfj s ALA 40 CO -0.10 -0.76 1.55 -2.30 0.00 0.00 0.00 175.76 174.15 3cfj n PRO 41 N -1.54 1.64 -0.85 0.00 -0.02 -1.26 -0.95 135.00 132.01 3cfj n PRO 41 Ca 0.10 0.59 0.00 0.00 -2.02 0.00 0.00 63.50 62.18 3cfj n PRO 41 Cb 0.52 -2.32 0.00 0.00 -0.02 0.00 0.00 33.50 31.68 3cfj n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3cfj n GLY 42 N 3.32 0.54 2.98 -1.23 0.00 -1.26 -4.98 105.19 104.56 3cfj n GLY 42 Ca 0.20 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.99 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 -1.86 0.91 -0.90 1.61 5.02 -0.13 -5.15 118.16 117.66 3cfj n LYS 43 Ca 0.00 -2.82 -0.11 0.00 -2.02 0.00 0.00 58.31 53.37 3cfj n LYS 43 Cb 0.05 0.48 0.07 0.00 -0.02 0.00 0.00 35.03 35.61 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 -0.11 -0.74 3.83 0.72 0.00 -1.26 -4.66 105.19 102.97 3cfj n GLY 44 Ca -0.07 -1.77 -0.34 0.00 0.00 0.00 0.00 46.02 43.84 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 4.15 -0.04 0.99 1.43 -1.26 -4.24 118.68 119.71 3cfj s LEU 45 Ca 0.28 1.43 -0.02 0.00 -1.03 0.00 0.00 54.13 54.79 3cfj s LEU 45 Cb -0.01 -3.99 0.03 0.00 0.03 0.00 0.00 46.19 42.25 3cfj s LEU 45 CO 0.19 -0.15 0.05 -0.70 0.23 0.00 0.00 176.35 175.98 3cfj s GLU 46 N -2.63 0.02 0.03 1.70 2.12 0.18 -4.99 118.70 115.13 3cfj s GLU 46 Ca 0.52 0.33 -0.30 0.00 0.36 0.00 0.00 54.97 55.87 3cfj s GLU 46 Cb -0.13 -0.56 -0.05 0.00 0.26 0.00 0.00 34.13 33.65 3cfj s GLU 46 CO 0.18 -0.32 1.28 -0.46 -0.54 0.00 0.00 175.26 175.41 3cfj s TRP 47 N 2.08 3.19 -0.18 5.30 -0.00 -1.26 -0.44 118.94 127.64 3cfj s TRP 47 Ca 0.04 1.10 -0.15 0.00 -0.00 0.00 0.00 56.10 57.09 3cfj s TRP 47 Cb -0.12 -3.53 -0.10 0.00 -0.00 0.00 0.00 33.47 29.72 3cfj s TRP 47 CO -0.03 -1.78 -0.06 -0.89 -0.00 0.00 0.00 176.95 174.18 3cfj n ILE 48 N 4.28 1.48 -0.51 5.86 5.41 0.01 -4.47 119.36 131.42 3cfj n ILE 48 Ca 0.11 0.07 0.00 0.00 1.00 0.00 0.00 62.75 63.93 3cfj n ILE 48 Cb 0.45 -2.22 0.00 0.00 -0.71 0.00 0.00 39.64 37.16 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 1.50 -1.15 3.09 7.39 0.00 -1.18 -0.05 105.19 114.80 3cfj n GLY 49 Ca -0.21 -0.98 -0.09 0.00 0.00 0.00 0.00 46.02 44.73 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 -1.67 0.62 -0.01 1.61 -1.05 -0.02 -1.56 118.70 116.61 3cfj s GLU 50 Ca 0.00 -1.09 0.01 0.00 -0.15 0.00 0.00 54.97 53.75 3cfj s GLU 50 Cb 0.00 -0.02 0.01 0.00 -0.44 0.00 0.00 34.13 33.68 3cfj s GLU 50 CO 0.00 -0.05 -0.04 -1.50 0.95 0.00 0.00 175.26 174.62 3cfj s ILE 51 N -3.03 0.40 0.73 1.83 2.07 0.07 -1.55 121.20 121.71 3cfj s ILE 51 Ca 0.02 -0.16 -0.11 0.00 -1.41 0.00 0.00 60.65 58.99 3cfj s ILE 51 Cb 0.01 -0.37 0.04 0.00 0.13 0.00 0.00 42.46 42.26 3cfj s ILE 51 CO -0.05 0.14 1.10 0.54 -1.91 0.00 0.00 174.94 174.76 3cfj s ASN 52 N 0.22 5.15 0.31 4.50 4.22 -0.53 -1.30 114.94 127.51 3cfj s ASN 52 Ca -0.02 0.97 0.07 0.00 -2.14 0.00 0.00 52.86 51.74 3cfj s ASN 52 Cb -0.06 -1.68 0.82 0.00 1.28 0.00 0.00 41.25 41.61 3cfj s ASN 52 CO -0.00 -1.50 1.71 -0.65 -2.04 0.00 0.00 177.10 174.62 3cfj h PRO 52 N -0.73 0.48 -0.67 3.55 0.11 -1.83 -2.42 132.00 130.49 3cfj h PRO 52 Ca -0.45 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3cfj h PRO 52 Cb 1.28 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3cfj h PRO 52 CO 0.64 0.32 0.00 -0.40 -0.21 0.00 0.00 178.00 178.35 3cfj n ASP 53 N -4.96 3.63 -0.43 -2.05 5.75 -1.26 -4.93 116.55 112.30 3cfj n ASP 53 Ca 0.25 -2.00 -0.06 0.00 -0.01 0.00 0.00 54.79 52.98 3cfj n ASP 53 Cb 0.71 -0.44 -0.02 0.00 -1.03 0.00 0.00 41.12 40.34 3cfj n ASP 53 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 3cfj n SER 54 N 1.49 -5.39 0.05 -1.12 7.64 -0.91 -4.85 113.62 110.53 3cfj n SER 54 Ca 0.23 0.14 0.12 0.00 1.01 0.00 0.00 58.87 60.37 3cfj n SER 54 Cb 0.58 -3.38 0.20 0.00 -1.01 0.00 0.00 64.21 60.59 3cfj n SER 54 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3cfj n ARG 55 N -0.56 0.23 -4.03 1.43 1.74 -1.26 -4.68 116.66 109.53 3cfj n ARG 55 Ca -0.06 0.07 -0.31 0.00 -0.77 0.00 0.00 57.85 56.78 3cfj n ARG 55 Cb 0.47 -1.65 -0.15 0.00 -1.02 0.00 0.00 32.46 30.11 3cfj n ARG 55 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3cfj s THR 56 N -3.13 1.98 -0.17 0.55 2.01 -1.26 -5.06 115.64 110.56 3cfj s THR 56 Ca 0.07 -1.52 0.00 0.00 0.31 0.00 0.00 61.69 60.55 3cfj s THR 56 Cb 0.14 -2.14 0.04 0.00 0.01 0.00 0.00 72.50 70.55 3cfj s THR 56 CO 0.71 -0.06 -0.08 -0.63 -0.69 0.00 0.00 174.62 173.87 3cfj s ILE 57 N 1.18 1.35 -0.09 1.82 1.01 -1.26 -1.45 121.20 123.77 3cfj s ILE 57 Ca -0.08 -0.74 -0.01 0.00 0.00 0.00 0.00 60.65 59.83 3cfj s ILE 57 Cb -0.20 -1.44 -0.03 0.00 0.01 0.00 0.00 42.46 40.80 3cfj s ILE 57 CO -0.05 0.21 -0.05 0.20 0.00 0.00 0.00 174.94 175.25 3cfj s ASN 58 N 1.54 4.82 0.15 3.58 0.01 -0.60 -4.97 114.94 119.47 3cfj s ASN 58 Ca 0.01 0.00 0.09 0.00 -0.71 0.00 0.00 52.86 52.25 3cfj s ASN 58 Cb -0.15 -1.35 -0.04 0.00 0.41 0.00 0.00 41.25 40.12 3cfj s ASN 58 CO -0.08 0.33 -0.19 -0.31 -1.51 0.00 0.00 177.10 175.34 3cfj s TYR 59 N -0.63 1.84 0.16 2.20 2.02 -1.26 -0.84 117.35 120.83 3cfj s TYR 59 Ca 0.10 -0.45 -0.31 0.00 -0.37 0.00 0.00 57.07 56.04 3cfj s TYR 59 Cb -0.12 -0.94 -0.11 0.00 -0.40 0.00 0.00 41.96 40.39 3cfj s TYR 59 CO 0.02 0.31 1.80 1.41 -1.57 0.00 0.00 175.55 177.51 3cfj s MET 60 N -2.54 4.13 0.41 -0.62 -2.45 0.92 -4.86 119.30 114.29 3cfj s MET 60 Ca 0.13 2.61 0.17 0.00 -1.25 0.00 0.00 55.69 57.35 3cfj s MET 60 Cb -0.07 -3.40 1.05 0.00 1.25 0.00 0.00 34.83 33.67 3cfj s MET 60 CO 0.06 -0.81 1.84 -1.35 1.05 0.00 0.00 175.02 175.81 3cfj h PRO 61 N 7.93 0.43 -0.16 4.11 0.11 -1.94 0.46 132.00 142.93 3cfj h PRO 61 Ca -0.45 -0.03 -0.10 0.00 0.11 0.00 0.00 66.00 65.53 3cfj h PRO 61 Cb 1.21 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 3cfj h PRO 61 CO 0.95 0.28 -0.35 0.66 -0.21 0.00 0.00 178.00 179.33 3cfj h SER 62 N 0.44 0.35 -0.32 -2.05 4.64 -1.99 -3.27 113.55 111.35 3cfj h SER 62 Ca 0.49 -0.13 0.00 0.00 -0.47 0.00 0.00 61.79 61.68 3cfj h SER 62 Cb 1.18 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 63.18 3cfj h SER 62 CO -0.21 0.68 0.00 0.18 -0.87 0.00 0.00 176.83 176.62 3cfj n LEU 63 N -4.06 2.36 -0.35 5.97 4.77 0.16 -4.64 117.00 121.21 3cfj n LEU 63 Ca -0.01 -1.06 0.15 0.00 -0.03 0.00 0.00 56.01 55.05 3cfj n LEU 63 Cb 0.45 -0.21 0.35 0.00 -2.33 0.00 0.00 43.42 41.69 3cfj n LEU 63 CO 0.42 0.53 1.17 0.50 -1.33 0.00 0.00 177.39 178.69 3cfj h LYS 64 N 2.92 0.65 -0.26 3.23 3.64 -1.53 -2.78 116.57 122.43 3cfj h LYS 64 Ca 0.00 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.31 3cfj h LYS 64 Cb 0.65 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 32.31 3cfj h LYS 64 CO 0.00 0.43 -0.00 -0.40 -2.27 0.00 0.00 179.45 177.20 3cfj n ASP 65 N -4.83 3.57 0.00 4.20 5.68 -1.26 -4.41 116.55 119.49 3cfj n ASP 65 Ca 0.25 -3.14 0.00 0.00 -0.50 0.00 0.00 54.79 51.40 3cfj n ASP 65 Cb 0.66 -0.55 0.00 0.00 -1.14 0.00 0.00 41.12 40.09 3cfj n ASP 65 CO 0.00 0.00 0.00 1.17 -1.33 0.00 0.00 177.20 177.04 3cfj n LYS 66 N -0.68 2.80 -4.84 0.11 4.81 -1.06 -5.01 118.16 114.29 3cfj n LYS 66 Ca 0.23 0.00 -0.32 0.00 -0.87 0.00 0.00 58.31 57.35 3cfj n LYS 66 Cb 0.90 -0.88 -0.13 0.00 0.02 0.00 0.00 35.03 34.94 3cfj n LYS 66 CO 0.00 0.00 0.00 -0.06 1.17 0.00 0.00 177.40 178.51 3cfj s PHE 67 N -1.72 2.58 -0.11 5.64 0.40 -1.16 -1.80 117.98 121.82 3cfj s PHE 67 Ca 0.00 -0.24 -0.00 0.00 -0.60 0.00 0.00 56.93 56.09 3cfj s PHE 67 Cb 0.00 -1.53 0.02 0.00 0.51 0.00 0.00 43.02 42.02 3cfj s PHE 67 CO 0.00 0.19 -0.08 0.42 0.70 0.00 0.00 175.22 176.45 3cfj s ILE 68 N -0.81 1.04 -0.16 0.64 1.01 -0.39 -4.91 121.20 117.62 3cfj s ILE 68 Ca 0.13 -0.31 -0.08 0.00 0.00 0.00 0.00 60.65 60.39 3cfj s ILE 68 Cb -0.10 -1.05 -0.04 0.00 0.01 0.00 0.00 42.46 41.27 3cfj s ILE 68 CO 0.03 0.37 0.12 -0.63 0.00 0.00 0.00 174.94 174.82 3cfj s ILE 69 N 1.62 5.32 0.31 2.92 1.01 -1.26 -0.53 121.20 130.59 3cfj s ILE 69 Ca 0.03 0.15 -0.01 0.00 0.00 0.00 0.00 60.65 60.82 3cfj s ILE 69 Cb -0.13 -3.37 -0.01 0.00 0.01 0.00 0.00 42.46 38.96 3cfj s ILE 69 CO -0.07 0.52 0.39 -0.94 0.00 0.00 0.00 174.94 174.84 3cfj s SER 70 N -0.23 0.91 0.09 3.58 1.04 -1.07 -5.02 113.70 113.00 3cfj s SER 70 Ca 0.10 -1.49 -0.21 0.00 0.48 0.00 0.00 55.95 54.84 3cfj s SER 70 Cb -0.12 0.60 0.05 0.00 0.10 0.00 0.00 66.02 66.65 3cfj s SER 70 CO 0.01 -1.18 0.51 0.00 0.98 0.00 0.00 173.24 173.56 3cfj s ARG 71 N -3.36 1.10 -0.30 4.02 1.70 -1.26 -0.73 118.95 120.11 3cfj s ARG 71 Ca 0.33 -0.41 -0.02 0.00 -0.47 0.00 0.00 55.73 55.16 3cfj s ARG 71 Cb 0.01 0.50 0.10 0.00 -0.57 0.00 0.00 34.95 34.99 3cfj s ARG 71 CO 0.20 -0.42 0.11 0.34 -1.08 0.00 0.00 175.30 174.44 3cfj s ASP 72 N -2.36 3.87 0.48 -2.89 -1.08 -0.22 -5.00 116.67 109.47 3cfj s ASP 72 Ca -0.02 -1.52 0.14 0.00 -0.52 0.00 0.00 52.55 50.63 3cfj s ASP 72 Cb -0.00 -0.71 1.11 0.00 -1.46 0.00 0.00 42.92 41.86 3cfj s ASP 72 CO -0.07 -0.42 2.07 0.78 0.52 0.00 0.00 175.17 178.05 3cfj h ASN 73 N 8.19 0.04 0.52 -0.34 2.35 -1.92 -2.01 115.58 122.40 3cfj h ASN 73 Ca -0.16 -0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.55 3cfj h ASN 73 Cb 1.01 -0.01 -0.01 0.00 0.05 0.00 0.00 38.32 39.37 3cfj h ASN 73 CO 0.46 0.12 -0.18 0.00 -1.65 0.00 0.00 177.43 176.18 3cfj h ALA 74 N 1.89 1.22 -0.40 -0.83 0.00 -1.95 -2.50 119.26 116.69 3cfj h ALA 74 Ca 0.01 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3cfj h ALA 74 Cb 0.15 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3cfj h ALA 74 CO 0.01 0.23 0.00 1.63 0.00 0.00 0.00 179.25 181.12 3cfj n LYS 75 N -3.63 2.97 -4.30 0.00 5.02 -0.80 -4.98 118.16 112.43 3cfj n LYS 75 Ca -0.01 -2.35 -0.31 0.00 -2.02 0.00 0.00 58.31 53.62 3cfj n LYS 75 Cb 0.31 -1.47 -0.09 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 0.50 0.74 -4.10 4.39 3.02 -0.94 -4.70 115.26 114.17 3cfj n ASN 76 Ca 0.16 -1.26 -0.15 0.00 -0.03 0.00 0.00 54.58 53.31 3cfj n ASN 76 Cb 0.58 -1.69 -0.12 0.00 -0.61 0.00 0.00 39.78 37.94 3cfj n ASN 76 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 3cfj s SER 77 N -4.34 1.12 0.04 6.41 0.01 -0.95 -0.15 113.70 115.84 3cfj s SER 77 Ca 0.04 -0.58 0.07 0.00 1.31 0.00 0.00 55.95 56.78 3cfj s SER 77 Cb -0.02 0.01 -0.02 0.00 0.21 0.00 0.00 66.02 66.19 3cfj s SER 77 CO 0.99 -0.17 -0.19 -0.22 0.41 0.00 0.00 173.24 174.07 3cfj s LEU 78 N -1.67 2.17 0.11 2.44 2.96 0.10 -1.05 118.68 123.74 3cfj s LEU 78 Ca -0.07 -0.51 0.06 0.00 -0.22 0.00 0.00 54.13 53.39 3cfj s LEU 78 Cb -0.10 -0.85 -0.03 0.00 0.50 0.00 0.00 46.19 45.71 3cfj s LEU 78 CO 0.01 0.12 -0.14 -0.31 -1.32 0.00 0.00 176.35 174.70 3cfj s TYR 79 N -0.83 1.37 -0.06 5.38 2.02 0.09 0.08 117.35 125.41 3cfj s TYR 79 Ca 0.06 -0.52 -0.02 0.00 -0.37 0.00 0.00 57.07 56.21 3cfj s TYR 79 Cb -0.09 -0.73 0.04 0.00 -0.40 0.00 0.00 41.96 40.78 3cfj s TYR 79 CO 0.02 0.12 0.08 -1.17 -1.57 0.00 0.00 175.55 173.03 3cfj s LEU 80 N -2.21 0.10 -0.29 -1.29 2.96 0.10 -2.61 118.68 115.45 3cfj s LEU 80 Ca 0.05 0.09 -0.10 0.00 -0.22 0.00 0.00 54.13 53.95 3cfj s LEU 80 Cb -0.07 -0.05 -0.03 0.00 0.50 0.00 0.00 46.19 46.54 3cfj s LEU 80 CO 0.03 -0.26 0.17 -1.58 -1.32 0.00 0.00 176.35 173.39 3cfj s GLN 81 N 2.20 3.69 -0.16 1.98 2.00 0.31 0.15 119.66 129.83 3cfj s GLN 81 Ca 0.04 -0.49 -0.06 0.00 -2.00 0.00 0.00 55.36 52.86 3cfj s GLN 81 Cb -0.12 -3.60 -0.04 0.00 0.80 0.00 0.00 33.01 30.05 3cfj s GLN 81 CO -0.04 -0.28 0.03 -0.51 -0.50 0.00 0.00 175.29 174.00 3cfj s LEU 82 N 1.70 3.68 0.33 3.68 1.43 0.14 -1.27 118.68 128.37 3cfj s LEU 82 Ca 0.06 0.07 0.04 0.00 -1.03 0.00 0.00 54.13 53.27 3cfj s LEU 82 Cb -0.16 -1.90 -0.06 0.00 0.03 0.00 0.00 46.19 44.09 3cfj s LEU 82 CO 0.09 0.22 0.07 -0.94 0.23 0.00 0.00 176.35 176.01 3cfj s SER 82 N 0.06 2.35 -1.40 2.29 1.04 -0.74 -0.37 113.70 116.94 3cfj s SER 82 Ca 0.04 -1.40 -0.07 0.00 0.48 0.00 0.00 55.95 55.00 3cfj s SER 82 Cb -0.13 -0.02 0.00 0.00 0.10 0.00 0.00 66.02 65.98 3cfj s SER 82 CO 0.01 -0.64 0.36 0.54 0.98 0.00 0.00 173.24 174.50 3cfj n ARG 82 N -0.70 -1.97 -1.96 4.02 1.74 -1.08 -4.83 116.66 111.87 3cfj n ARG 82 Ca -0.03 0.27 -0.42 0.00 -0.77 0.00 0.00 57.85 56.91 3cfj n ARG 82 Cb 0.66 -3.95 -0.03 0.00 -1.02 0.00 0.00 32.46 28.13 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 -7.10 4.37 0.45 0.55 1.43 -0.57 -4.65 118.68 113.16 3cfj s LEU 82 Ca 0.11 2.59 0.03 0.00 -1.03 0.00 0.00 54.13 55.83 3cfj s LEU 82 Cb -0.05 -3.59 -0.02 0.00 0.03 0.00 0.00 46.19 42.55 3cfj s LEU 82 CO 0.93 -0.81 0.07 0.00 0.23 0.00 0.00 176.35 176.77 3cfj s ARG 83 N 1.14 2.05 0.56 1.70 1.70 -1.26 0.15 118.95 124.99 3cfj s ARG 83 Ca 0.69 -2.27 0.25 0.00 -0.47 0.00 0.00 55.73 53.93 3cfj s ARG 83 Cb -0.43 -1.03 1.55 0.00 -0.57 0.00 0.00 34.95 34.46 3cfj s ARG 83 CO 0.31 -0.42 2.13 0.66 -1.08 0.00 0.00 175.30 176.91 3cfj h SER 84 N 1.60 0.00 0.72 -2.89 4.64 -1.97 -0.42 113.55 115.23 3cfj h SER 84 Ca -0.39 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.93 3cfj h SER 84 Cb 1.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 3cfj h SER 84 CO 0.65 0.00 0.00 -0.33 -0.87 0.00 0.00 176.83 176.28 3cfj h GLU 85 N 0.00 0.00 -0.01 4.77 5.08 -1.96 -2.05 114.58 120.42 3cfj h GLU 85 Ca 0.07 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 3cfj h GLU 85 Cb 0.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.57 3cfj h GLU 85 CO -0.00 0.00 -0.11 -0.25 -1.00 0.00 0.00 179.01 177.65 3cfj n ASP 86 N -2.60 0.85 -4.63 1.42 8.00 -0.17 -4.82 116.55 114.60 3cfj n ASP 86 Ca 0.01 -0.95 -0.43 0.00 0.71 0.00 0.00 54.79 54.14 3cfj n ASP 86 Cb 0.23 0.01 -0.03 0.00 -0.02 0.00 0.00 41.12 41.31 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 -2.31 6.10 0.14 -2.24 0.01 -0.77 -4.86 113.70 109.77 3cfj s SER 87 Ca 0.32 1.92 -0.25 0.00 1.31 0.00 0.00 55.95 59.25 3cfj s SER 87 Cb 0.20 -2.53 0.07 0.00 0.21 0.00 0.00 66.02 63.98 3cfj s SER 87 CO 0.44 -1.44 1.02 0.00 0.41 0.00 0.00 173.24 173.67 3cfj s ALA 88 N 6.02 -1.72 0.05 1.44 0.00 -0.05 -4.49 121.76 123.00 3cfj s ALA 88 Ca 0.84 0.08 -0.27 0.00 0.00 0.00 0.00 51.96 52.62 3cfj s ALA 88 Cb -0.31 0.63 -0.05 0.00 0.00 0.00 0.00 23.12 23.39 3cfj s ALA 88 CO 0.34 -1.05 0.83 -0.51 0.00 0.00 0.00 175.76 175.37 3cfj s LEU 89 N -3.06 4.44 -0.18 0.00 1.43 -0.30 -0.75 118.68 120.26 3cfj s LEU 89 Ca 0.15 1.54 -0.02 0.00 -1.03 0.00 0.00 54.13 54.76 3cfj s LEU 89 Cb -0.01 -3.35 -0.01 0.00 0.03 0.00 0.00 46.19 42.85 3cfj s LEU 89 CO 0.02 -0.05 -0.08 -0.31 0.23 0.00 0.00 176.35 176.17 3cfj s TYR 90 N 0.17 2.92 -0.11 0.29 1.51 0.10 -0.89 117.35 121.34 3cfj s TYR 90 Ca 0.42 -0.76 -0.01 0.00 -1.01 0.00 0.00 57.07 55.71 3cfj s TYR 90 Cb -0.21 -1.99 -0.03 0.00 -0.11 0.00 0.00 41.96 39.62 3cfj s TYR 90 CO 0.25 -0.37 -0.08 0.71 -1.11 0.00 0.00 175.55 174.96 3cfj s TYR 91 N 0.93 2.92 -0.15 2.71 2.02 0.32 -1.49 117.35 124.62 3cfj s TYR 91 Ca -0.01 -0.23 -0.21 0.00 -0.37 0.00 0.00 57.07 56.25 3cfj s TYR 91 Cb -0.15 -1.81 -0.03 0.00 -0.40 0.00 0.00 41.96 39.57 3cfj s TYR 91 CO 0.00 0.10 0.62 0.00 -1.57 0.00 0.00 175.55 174.70 3cfj s VAL 93 N 1.37 0.20 -0.04 0.00 1.01 0.41 -0.52 120.40 122.83 3cfj s VAL 93 Ca 0.31 0.11 -0.30 0.00 0.00 0.00 0.00 61.98 62.10 3cfj s VAL 93 Cb -0.16 -0.32 -0.03 0.00 0.00 0.00 0.00 36.38 35.87 3cfj s VAL 93 CO 0.12 0.17 1.04 -0.60 0.00 0.00 0.00 175.10 175.83 3cfj s ARG 94 N 1.27 4.47 -0.27 2.72 3.52 0.45 -0.06 118.95 131.06 3cfj s ARG 94 Ca -0.06 1.47 -0.12 0.00 -0.13 0.00 0.00 55.73 56.89 3cfj s ARG 94 Cb -0.13 -3.49 -0.05 0.00 -1.56 0.00 0.00 34.95 29.72 3cfj s ARG 94 CO -0.02 -0.21 0.22 -1.17 -0.81 0.00 0.00 175.30 173.30 3cfj s LEU 95 N 1.52 4.05 -0.26 -0.88 2.96 -0.84 -2.26 118.68 122.97 3cfj s LEU 95 Ca 0.52 0.09 -0.15 0.00 -0.22 0.00 0.00 54.13 54.36 3cfj s LEU 95 Cb -0.21 -2.18 -0.04 0.00 0.50 0.00 0.00 46.19 44.26 3cfj s LEU 95 CO 0.24 -0.04 0.39 -0.62 -1.32 0.00 0.00 176.35 175.00 3cfj s ASP 96 N 1.54 6.29 -0.06 3.68 2.15 -0.16 -4.05 116.67 126.06 3cfj s ASP 96 Ca 0.09 0.34 -0.01 0.00 0.43 0.00 0.00 52.55 53.39 3cfj s ASP 96 Cb -0.15 -2.22 -0.03 0.00 -0.30 0.00 0.00 42.92 40.21 3cfj s ASP 96 CO 0.09 -0.19 0.02 0.12 -0.17 0.00 0.00 175.17 175.04 3cfj s PHE 97 N 2.04 3.19 -0.43 -5.34 5.36 -1.26 -1.74 117.98 119.81 3cfj s PHE 97 Ca 0.16 0.20 0.08 0.00 -0.96 0.00 0.00 56.93 56.41 3cfj s PHE 97 Cb -0.16 -1.77 0.18 0.00 -0.34 0.00 0.00 43.02 40.93 3cfj s PHE 97 CO 0.10 0.50 0.64 0.34 -1.46 0.00 0.00 175.22 175.33 3cfj s ASP 98 N -1.12 -1.44 0.32 6.13 -1.08 -1.26 -4.99 116.67 113.24 3cfj s ASP 98 Ca 0.16 -0.96 0.03 0.00 -0.52 0.00 0.00 52.55 51.26 3cfj s ASP 98 Cb -0.11 1.91 0.56 0.00 -1.46 0.00 0.00 42.92 43.81 3cfj s ASP 98 CO 0.05 -0.15 1.88 0.58 0.52 0.00 0.00 175.17 178.05 3cfj h VAL 99 N 5.00 1.20 -0.36 1.11 2.07 -1.97 -1.96 116.25 121.33 3cfj h VAL 99 Ca 0.05 -0.71 0.02 0.00 0.82 0.00 0.00 66.70 66.89 3cfj h VAL 99 Cb 1.16 0.76 -0.03 0.00 -1.52 0.00 0.00 31.29 31.67 3cfj h VAL 99 CO 0.09 0.26 0.19 0.22 0.02 0.00 0.00 177.57 178.35 3cfj h TYR 100 N 0.63 0.36 -0.17 1.57 5.03 -2.06 -2.58 116.97 119.75 3cfj h TYR 100 Ca 0.14 0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.47 3cfj h TYR 100 Cb 0.25 -0.11 0.00 0.00 1.55 0.00 0.00 36.73 38.42 3cfj h TYR 100 CO 0.01 0.20 0.00 0.09 -1.32 0.00 0.00 178.16 177.14 3cfj n ASN 100 N -4.92 1.90 -2.72 -2.11 3.02 -1.15 -5.25 115.26 104.04 3cfj n ASN 100 Ca 0.01 -1.73 -0.03 0.00 -0.03 0.00 0.00 54.58 52.80 3cfj n ASN 100 Cb 0.08 -0.11 -0.02 0.00 -0.61 0.00 0.00 39.78 39.12 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 0.48 -2.53 0.00 3.10 8.25 -0.75 -5.09 115.22 118.67 3cfj n HIS 100 Ca 0.17 1.48 0.00 0.00 -0.26 0.00 0.00 57.72 59.11 3cfj n HIS 100 Cb 0.37 -2.62 0.00 0.00 1.12 0.00 0.00 29.99 28.87 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 2.07 0.00 -4.99 4.41 4.01 -1.26 -5.04 117.16 116.36 3cfj n TYR 100 Ca -0.20 0.00 -0.28 0.00 -0.16 0.00 0.00 57.90 57.26 3cfj n TYR 100 Cb 0.31 0.00 -0.15 0.00 -0.31 0.00 0.00 39.34 39.19 3cfj n TYR 100 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 3cfj s VAL 100 N 0.00 1.83 -0.75 -0.72 0.11 -0.71 -4.96 120.40 115.21 3cfj s VAL 100 Ca 0.00 -1.10 -0.20 0.00 -2.93 0.00 0.00 61.98 57.75 3cfj s VAL 100 Cb 0.00 -1.55 0.10 0.00 -1.53 0.00 0.00 36.38 33.41 3cfj s VAL 100 CO 0.00 0.42 0.96 -0.76 -3.33 0.00 0.00 175.10 172.39 3cfj s LEU 100 N -0.80 4.90 -0.25 2.54 1.43 -1.26 -0.99 118.68 124.25 3cfj s LEU 100 Ca 0.09 -1.51 0.01 0.00 -1.03 0.00 0.00 54.13 51.70 3cfj s LEU 100 Cb -0.09 -2.38 -0.16 0.00 0.03 0.00 0.00 46.19 43.59 3cfj s LEU 100 CO 0.00 -1.22 -0.22 -0.90 0.23 0.00 0.00 176.35 174.24 3cfj n ASP 101 N 6.91 2.08 -4.28 2.29 5.75 -0.96 -4.89 116.55 123.45 3cfj n ASP 101 Ca 0.05 -0.12 -0.33 0.00 -0.01 0.00 0.00 54.79 54.39 3cfj n ASP 101 Cb 0.46 -0.40 -0.15 0.00 -1.03 0.00 0.00 41.12 40.00 3cfj n ASP 101 CO 0.00 0.00 0.00 -0.31 -0.11 0.00 0.00 177.20 176.78 3cfj s TYR 102 N -2.49 2.76 -0.03 2.11 1.51 -1.25 -5.00 117.35 114.96 3cfj s TYR 102 Ca -0.33 -0.97 0.07 0.00 -1.01 0.00 0.00 57.07 54.83 3cfj s TYR 102 Cb 0.09 -1.86 -0.02 0.00 -0.11 0.00 0.00 41.96 40.06 3cfj s TYR 102 CO 0.56 -0.42 -0.22 -1.58 -1.11 0.00 0.00 175.55 172.79 3cfj s TRP 103 N 0.66 2.45 0.80 2.71 0.52 -1.26 -0.41 118.94 124.41 3cfj s TRP 103 Ca -0.08 -0.35 -0.11 0.00 0.02 0.00 0.00 56.10 55.58 3cfj s TRP 103 Cb -0.16 -1.54 0.07 0.00 -1.15 0.00 0.00 33.47 30.70 3cfj s TRP 103 CO 0.02 0.04 1.09 0.20 0.02 0.00 0.00 176.95 178.32 3cfj s GLY 104 N -0.67 1.63 0.48 0.98 0.00 0.32 -4.88 107.32 105.17 3cfj s GLY 104 Ca 0.11 -0.09 0.25 0.00 0.00 0.00 0.00 44.72 44.99 3cfj s GLY 104 CO -0.00 0.32 1.96 1.46 0.00 0.00 0.00 173.10 176.84 3cfj h GLN 105 N -1.14 0.00 0.00 2.90 4.20 -1.90 -3.43 115.11 115.74 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 1.26 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.04 3cfj h GLN 105 CO 0.57 0.18 0.00 0.41 -0.67 0.00 0.00 178.83 179.32 3cfj n GLY 106 N -0.34 2.50 3.28 3.46 0.00 -1.26 -5.00 105.19 107.84 3cfj n GLY 106 Ca -0.01 -1.78 -0.30 0.00 0.00 0.00 0.00 46.02 43.93 3cfj n GLY 106 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3cfj s THR 107 N -2.24 1.92 -0.14 2.61 -1.32 -0.56 -4.84 115.64 111.08 3cfj s THR 107 Ca 0.00 -1.04 -0.16 0.00 -1.21 0.00 0.00 61.69 59.28 3cfj s THR 107 Cb 0.00 -1.59 -0.04 0.00 -1.51 0.00 0.00 72.50 69.35 3cfj s THR 107 CO 0.00 0.54 0.40 -0.55 -2.21 0.00 0.00 174.62 172.81 3cfj s SER 108 N -0.55 6.58 -0.15 8.08 0.15 -1.26 -0.72 113.70 125.83 3cfj s SER 108 Ca 0.09 0.68 0.02 0.00 0.70 0.00 0.00 55.95 57.44 3cfj s SER 108 Cb -0.10 -2.24 0.01 0.00 -1.71 0.00 0.00 66.02 61.98 3cfj s SER 108 CO -0.01 0.03 -0.21 -0.69 1.20 0.00 0.00 173.24 173.56 3cfj s VAL 109 N 0.59 2.05 -0.17 4.45 1.01 0.07 0.38 120.40 128.78 3cfj s VAL 109 Ca 0.22 -0.97 0.01 0.00 0.00 0.00 0.00 61.98 61.24 3cfj s VAL 109 Cb -0.14 -1.82 0.01 0.00 0.00 0.00 0.00 36.38 34.43 3cfj s VAL 109 CO 0.08 0.55 -0.18 -0.89 0.00 0.00 0.00 175.10 174.65 3cfj s THR 110 N 0.91 2.26 -0.37 3.92 2.01 -0.77 -0.87 115.64 122.72 3cfj s THR 110 Ca -0.05 -0.88 -0.16 0.00 0.31 0.00 0.00 61.69 60.91 3cfj s THR 110 Cb -0.15 -1.95 -0.00 0.00 0.01 0.00 0.00 72.50 70.41 3cfj s THR 110 CO -0.04 0.53 0.39 -0.69 -0.69 0.00 0.00 174.62 174.12 3cfj s VAL 111 N 1.16 5.14 -0.15 3.82 1.01 -1.26 -0.94 120.40 129.18 3cfj s VAL 111 Ca 0.02 -0.08 -0.30 0.00 0.00 0.00 0.00 61.98 61.62 3cfj s VAL 111 Cb -0.14 -3.90 0.12 0.00 0.00 0.00 0.00 36.38 32.46 3cfj s VAL 111 CO -0.08 -0.21 0.99 -0.55 0.00 0.00 0.00 175.10 175.24 3cfj s SER 112 N 1.76 -0.37 0.00 3.32 0.15 -0.48 -4.49 113.70 113.58 3cfj s SER 112 Ca 0.12 0.39 0.24 0.00 0.70 0.00 0.00 55.95 57.40 3cfj s SER 112 Cb -0.17 0.31 0.51 0.00 -1.71 0.00 0.00 66.02 64.97 3cfj s SER 112 CO 0.12 -0.36 1.44 -1.54 1.20 0.00 0.00 173.24 174.10 3cfj n SER 113 N 0.68 2.68 -4.81 5.45 3.41 -1.26 -4.10 113.62 115.66 3cfj n SER 113 Ca -0.10 -1.87 -0.33 0.00 -0.26 0.00 0.00 58.87 56.31 3cfj n SER 113 Cb 0.58 -0.11 -0.02 0.00 -0.26 0.00 0.00 64.21 64.40 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 -1.78 2.90 0.48 7.33 0.00 -1.26 -5.04 121.76 124.39 3cfj s ALA 114 Ca 0.34 0.39 -0.04 0.00 0.00 0.00 0.00 51.96 52.65 3cfj s ALA 114 Cb 0.21 -3.20 -0.03 0.00 0.00 0.00 0.00 23.12 20.10 3cfj s ALA 114 CO 0.30 -0.40 0.76 -1.54 0.00 0.00 0.00 175.76 174.89 3cfj s SER 115 N -2.57 6.17 0.37 0.00 1.04 -1.26 -5.04 113.70 112.40 3cfj s SER 115 Ca 0.63 0.81 -0.28 0.00 0.48 0.00 0.00 55.95 57.59 3cfj s SER 115 Cb -0.13 -2.12 -0.10 0.00 0.10 0.00 0.00 66.02 63.76 3cfj s SER 115 CO 0.28 -0.60 1.37 -0.89 0.98 0.00 0.00 173.24 174.37 3cfj s THR 116 N -2.71 2.45 -0.05 2.02 2.01 -1.26 -4.81 115.64 113.30 3cfj s THR 116 Ca 0.47 0.44 -0.02 0.00 0.31 0.00 0.00 61.69 62.90 3cfj s THR 116 Cb -0.10 -3.28 0.03 0.00 0.01 0.00 0.00 72.50 69.17 3cfj s THR 116 CO 0.43 0.10 0.08 -0.75 -0.69 0.00 0.00 174.62 173.79 3cfj s LYS 117 N -2.01 -0.02 0.52 4.92 2.20 -0.06 -4.96 119.74 120.34 3cfj s LYS 117 Ca 0.52 0.34 -0.18 0.00 -0.36 0.00 0.00 55.97 56.29 3cfj s LYS 117 Cb -0.42 -0.32 -0.07 0.00 -1.51 0.00 0.00 37.83 35.51 3cfj s LYS 117 CO 0.56 -0.24 1.04 0.20 -0.36 0.00 0.00 175.35 176.54 3cfj s GLY 118 N 1.63 2.32 0.56 5.54 0.00 -1.26 -1.18 107.32 114.93 3cfj s GLY 118 Ca -0.03 0.48 -0.15 0.00 0.00 0.00 0.00 44.72 45.03 3cfj s GLY 118 CO -0.04 0.79 1.00 2.56 0.00 0.00 0.00 173.10 177.42 3cfj s PRO 119 N -3.61 3.78 0.08 2.90 0.04 -1.26 -4.57 135.00 132.37 3cfj s PRO 119 Ca 0.65 0.91 -0.14 0.00 0.04 0.00 0.00 61.00 62.46 3cfj s PRO 119 Cb -0.15 -2.11 -0.06 0.00 0.04 0.00 0.00 34.50 32.22 3cfj s PRO 119 CO 0.27 -0.41 0.47 -1.12 0.04 0.00 0.00 177.00 176.25 3cfj s SER 120 N -3.41 6.79 -0.20 6.66 0.01 0.31 -4.90 113.70 118.95 3cfj s SER 120 Ca 0.58 0.98 -0.01 0.00 1.31 0.00 0.00 55.95 58.81 3cfj s SER 120 Cb -0.11 -2.25 0.00 0.00 0.21 0.00 0.00 66.02 63.87 3cfj s SER 120 CO 0.39 0.20 -0.12 -0.69 0.41 0.00 0.00 173.24 173.43 3cfj s VAL 121 N -1.31 2.78 -0.05 3.43 1.01 -1.26 -0.90 120.40 124.09 3cfj s VAL 121 Ca 0.32 -0.70 0.06 0.00 0.00 0.00 0.00 61.98 61.66 3cfj s VAL 121 Cb -0.16 -2.22 -0.01 0.00 0.00 0.00 0.00 36.38 33.99 3cfj s VAL 121 CO 0.17 0.48 -0.23 -0.36 0.00 0.00 0.00 175.10 175.16 3cfj s PHE 122 N 1.32 2.47 0.40 5.22 0.08 -0.24 -4.95 117.98 122.27 3cfj s PHE 122 Ca 0.04 -0.61 -0.25 0.00 0.12 0.00 0.00 56.93 56.23 3cfj s PHE 122 Cb -0.14 -1.60 -0.08 0.00 -0.57 0.00 0.00 43.02 40.63 3cfj s PHE 122 CO -0.07 -0.14 1.16 -1.25 -0.10 0.00 0.00 175.22 174.82 3cfj s PRO 123 N -0.27 4.06 -0.58 0.24 0.04 -1.26 -0.05 135.00 137.18 3cfj s PRO 123 Ca -0.00 1.83 -0.08 0.00 0.04 0.00 0.00 61.00 62.79 3cfj s PRO 123 Cb -0.13 -2.67 0.15 0.00 0.04 0.00 0.00 34.50 31.89 3cfj s PRO 123 CO 0.03 -0.31 0.45 -0.51 0.04 0.00 0.00 177.00 176.70 3cfj s LEU 124 N -2.49 5.73 0.18 -3.56 1.43 0.19 -4.77 118.68 115.39 3cfj s LEU 124 Ca 0.57 -2.37 -0.30 0.00 -1.03 0.00 0.00 54.13 51.01 3cfj s LEU 124 Cb -0.30 -1.99 -0.08 0.00 0.03 0.00 0.00 46.19 43.85 3cfj s LEU 124 CO 0.38 -0.56 1.13 0.00 0.23 0.00 0.00 176.35 177.53 3cfj s ALA 125 N 0.67 3.39 0.68 4.21 0.00 -1.26 -1.28 121.76 128.17 3cfj s ALA 125 Ca 0.12 0.86 -0.11 0.00 0.00 0.00 0.00 51.96 52.83 3cfj s ALA 125 Cb -0.21 -3.37 -0.00 0.00 0.00 0.00 0.00 23.12 19.53 3cfj s ALA 125 CO -0.03 -0.26 1.06 -1.25 0.00 0.00 0.00 175.76 175.27 3cfj s PRO 126 N -0.38 3.08 -0.00 0.00 0.04 -1.25 -4.89 135.00 131.60 3cfj s PRO 126 Ca 0.50 0.76 0.03 0.00 0.04 0.00 0.00 61.00 62.33 3cfj s PRO 126 Cb -0.31 -2.02 -0.01 0.00 0.04 0.00 0.00 34.50 32.21 3cfj s PRO 126 CO 0.36 -0.95 -0.08 0.45 0.04 0.00 0.00 177.00 176.82 3cfj s SER 127 N -4.04 0.97 0.57 6.66 0.15 -1.26 -1.18 113.70 115.56 3cfj s SER 127 Ca 0.57 -0.17 0.30 0.00 0.70 0.00 0.00 55.95 57.34 3cfj s SER 127 Cb -0.12 -0.10 1.74 0.00 -1.71 0.00 0.00 66.02 65.83 3cfj s SER 127 CO 0.54 0.08 2.21 0.28 1.20 0.00 0.00 173.24 177.55 3cfj h SER 128 N 5.85 0.00 0.24 5.45 0.02 -1.99 -2.56 113.55 120.57 3cfj h SER 128 Ca -0.30 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.65 3cfj h SER 128 Cb 1.18 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.72 3cfj h SER 128 CO 0.49 0.03 -0.45 0.29 -1.14 0.00 0.00 176.83 176.05 3cfj n LYS 129 N -3.76 0.56 -2.16 3.45 5.02 -1.26 -4.40 118.16 115.61 3cfj n LYS 129 Ca -0.03 -0.37 -0.30 0.00 -2.02 0.00 0.00 58.31 55.59 3cfj n LYS 129 Cb 0.13 -1.49 0.02 0.00 -0.02 0.00 0.00 35.03 33.66 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 -0.90 5.71 -4.71 4.39 7.64 -0.96 -5.03 113.62 119.76 3cfj n SER 130 Ca 0.09 -3.76 -0.37 0.00 1.01 0.00 0.00 58.87 55.84 3cfj n SER 130 Cb 0.36 -0.63 -0.07 0.00 -1.01 0.00 0.00 64.21 62.85 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 -5.20 5.29 -0.08 0.44 -4.23 -1.26 -4.71 115.64 105.89 3cfj s THR 133 Ca 0.51 0.55 0.05 0.00 -1.18 0.00 0.00 61.69 61.62 3cfj s THR 133 Cb 0.42 -3.64 -0.00 0.00 1.34 0.00 0.00 72.50 70.62 3cfj s THR 133 CO -0.19 0.35 -0.24 -0.55 -0.54 0.00 0.00 174.62 173.45 3cfj s SER 134 N 0.65 3.05 -1.47 3.99 0.15 -0.91 -4.80 113.70 114.36 3cfj s SER 134 Ca 0.16 -0.53 -0.08 0.00 0.70 0.00 0.00 55.95 56.20 3cfj s SER 134 Cb -0.13 -1.15 0.03 0.00 -1.71 0.00 0.00 66.02 63.05 3cfj s SER 134 CO 0.05 0.19 0.78 0.61 1.20 0.00 0.00 173.24 176.07 3cfj n GLY 135 N 3.28 -0.52 2.81 9.45 0.00 -1.26 -1.90 105.19 117.05 3cfj n GLY 135 Ca -0.18 0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 -1.62 0.93 3.52 -0.02 0.00 -1.26 -5.02 105.19 101.73 3cfj n GLY 136 Ca -0.05 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.72 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 -3.73 2.85 0.03 2.61 -4.23 -0.80 -1.71 115.64 110.67 3cfj s THR 137 Ca 0.00 -1.97 0.03 0.00 -1.18 0.00 0.00 61.69 58.57 3cfj s THR 137 Cb 0.00 -2.44 -0.04 0.00 1.34 0.00 0.00 72.50 71.36 3cfj s THR 137 CO 0.00 -0.23 -0.02 0.00 -0.54 0.00 0.00 174.62 173.84 3cfj s ALA 138 N -1.99 3.21 0.04 3.99 0.00 0.10 -2.14 121.76 124.97 3cfj s ALA 138 Ca 0.26 -1.03 0.09 0.00 0.00 0.00 0.00 51.96 51.28 3cfj s ALA 138 Cb -0.07 -1.23 -0.03 0.00 0.00 0.00 0.00 23.12 21.79 3cfj s ALA 138 CO 0.15 0.66 -0.25 0.00 0.00 0.00 0.00 175.76 176.31 3cfj s ALA 139 N -1.14 2.12 0.14 0.00 0.00 -1.26 -1.15 121.76 120.47 3cfj s ALA 139 Ca 0.21 -1.20 -0.09 0.00 0.00 0.00 0.00 51.96 50.88 3cfj s ALA 139 Cb -0.11 -0.45 -0.00 0.00 0.00 0.00 0.00 23.12 22.55 3cfj s ALA 139 CO 0.12 0.50 0.26 -0.48 0.00 0.00 0.00 175.76 176.16 3cfj s LEU 140 N -1.13 1.08 0.00 0.00 0.05 -0.65 -3.85 118.68 114.18 3cfj s LEU 140 Ca 0.11 -0.75 0.00 0.00 0.05 0.00 0.00 54.13 53.54 3cfj s LEU 140 Cb -0.10 1.19 0.00 0.00 -2.05 0.00 0.00 46.19 45.24 3cfj s LEU 140 CO 0.02 -0.83 0.00 0.61 -0.55 0.00 0.00 176.35 175.59 3cfj n GLY 141 N -0.16 1.09 2.97 -3.48 0.00 -0.40 -0.25 105.19 104.96 3cfj n GLY 141 Ca -0.11 -0.73 -0.19 0.00 0.00 0.00 0.00 46.02 44.99 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 0.26 4.47 -0.46 0.00 2.96 0.93 -1.63 118.68 125.21 3cfj s LEU 143 Ca -0.04 -0.40 -0.15 0.00 -0.22 0.00 0.00 54.13 53.32 3cfj s LEU 143 Cb -0.08 -2.13 0.07 0.00 0.50 0.00 0.00 46.19 44.54 3cfj s LEU 143 CO 0.00 -0.22 0.38 -0.69 -1.32 0.00 0.00 176.35 174.50 3cfj s VAL 144 N 1.72 5.16 -0.01 1.68 1.01 0.82 -1.08 120.40 129.70 3cfj s VAL 144 Ca 0.06 -1.04 0.07 0.00 0.00 0.00 0.00 61.98 61.06 3cfj s VAL 144 Cb -0.17 -4.07 -0.02 0.00 0.00 0.00 0.00 36.38 32.12 3cfj s VAL 144 CO 0.10 -0.54 -0.21 -0.75 0.00 0.00 0.00 175.10 173.70 3cfj s LYS 145 N 1.63 1.62 -0.57 2.72 2.20 -0.08 -0.71 119.74 126.55 3cfj s LYS 145 Ca 0.04 -0.77 -0.03 0.00 -0.36 0.00 0.00 55.97 54.85 3cfj s LYS 145 Cb -0.24 -1.60 -0.03 0.00 -1.51 0.00 0.00 37.83 34.45 3cfj s LYS 145 CO 0.07 0.43 0.51 -0.25 -0.36 0.00 0.00 175.35 175.75 3cfj n ASP 146 N 2.44 -4.83 -4.36 1.43 8.00 -0.51 -0.53 116.55 118.20 3cfj n ASP 146 Ca -0.16 -0.34 -0.19 0.00 0.71 0.00 0.00 54.79 54.82 3cfj n ASP 146 Cb 0.53 -3.28 -0.10 0.00 -0.02 0.00 0.00 41.12 38.25 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 -3.18 1.74 -0.27 1.24 1.13 -0.90 -4.27 117.35 112.84 3cfj s TYR 147 Ca 0.21 -0.62 -0.22 0.00 -1.41 0.00 0.00 57.07 55.04 3cfj s TYR 147 Cb -0.03 -0.86 0.08 0.00 -1.10 0.00 0.00 41.96 40.06 3cfj s TYR 147 CO 0.43 0.32 0.75 0.12 -2.51 0.00 0.00 175.55 174.65 3cfj s PHE 148 N -3.01 -0.85 0.33 -3.49 5.36 -0.32 -0.65 117.98 115.35 3cfj s PHE 148 Ca 0.24 1.90 -0.01 0.00 -0.96 0.00 0.00 56.93 58.10 3cfj s PHE 148 Cb 0.01 0.40 0.07 0.00 -0.34 0.00 0.00 43.02 43.15 3cfj s PHE 148 CO 0.08 -0.41 0.45 -0.35 -1.46 0.00 0.00 175.22 173.53 3cfj n PRO 149 N 3.22 0.19 -1.23 10.12 -0.04 -1.26 -0.88 135.00 145.11 3cfj n PRO 149 Ca -0.16 -1.15 -0.32 0.00 -0.04 0.00 0.00 63.50 61.83 3cfj n PRO 149 Cb 0.56 -0.33 0.10 0.00 -0.04 0.00 0.00 33.50 33.80 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 -3.66 2.01 0.47 0.54 0.41 -1.26 -4.78 118.70 112.43 3cfj s GLU 150 Ca 0.29 1.41 0.05 0.00 -0.41 0.00 0.00 54.97 56.32 3cfj s GLU 150 Cb -0.02 -1.85 0.05 0.00 -1.78 0.00 0.00 34.13 30.54 3cfj s GLU 150 CO 0.20 -1.87 0.43 -0.35 -0.49 0.00 0.00 175.26 173.18 3cfj n PRO 151 N -3.37 0.77 -4.57 0.39 -0.04 -1.26 -4.92 135.00 122.00 3cfj n PRO 151 Ca 0.11 -2.84 -0.23 0.00 -0.04 0.00 0.00 63.50 60.50 3cfj n PRO 151 Cb 0.52 0.18 -0.14 0.00 -0.04 0.00 0.00 33.50 34.02 3cfj n PRO 151 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3cfj s VAL 152 N -2.24 1.28 -0.06 0.52 1.01 -1.26 -4.53 120.40 115.12 3cfj s VAL 152 Ca 0.33 -0.90 0.02 0.00 0.00 0.00 0.00 61.98 61.43 3cfj s VAL 152 Cb -0.03 -1.11 -0.03 0.00 0.00 0.00 0.00 36.38 35.22 3cfj s VAL 152 CO 0.21 0.19 -0.09 0.42 0.00 0.00 0.00 175.10 175.83 3cfj s THR 153 N -0.63 3.48 -0.03 3.92 -4.23 -0.10 -4.97 115.64 113.08 3cfj s THR 153 Ca 0.05 -0.59 0.02 0.00 -1.18 0.00 0.00 61.69 59.99 3cfj s THR 153 Cb -0.07 -2.41 0.01 0.00 1.34 0.00 0.00 72.50 71.37 3cfj s THR 153 CO 0.01 0.58 -0.09 -0.69 -0.54 0.00 0.00 174.62 173.89 3cfj s VAL 154 N -0.80 0.77 0.25 2.29 1.01 -1.26 -0.84 120.40 121.83 3cfj s VAL 154 Ca 0.12 -0.34 -0.03 0.00 0.00 0.00 0.00 61.98 61.73 3cfj s VAL 154 Cb -0.11 -0.70 -0.02 0.00 0.00 0.00 0.00 36.38 35.55 3cfj s VAL 154 CO 0.01 0.25 0.30 -0.94 0.00 0.00 0.00 175.10 174.72 3cfj s SER 156 N 0.31 0.41 -0.12 3.32 1.04 -0.55 -4.97 113.70 113.14 3cfj s SER 156 Ca -0.05 -1.33 0.02 0.00 0.48 0.00 0.00 55.95 55.07 3cfj s SER 156 Cb -0.10 0.51 -0.00 0.00 0.10 0.00 0.00 66.02 66.53 3cfj s SER 156 CO 0.01 -1.03 -0.20 0.26 0.98 0.00 0.00 173.24 173.26 3cfj s TRP 157 N -3.84 2.67 -1.37 5.02 0.52 -1.26 0.21 118.94 120.89 3cfj s TRP 157 Ca 0.33 -0.99 -0.05 0.00 0.02 0.00 0.00 56.10 55.42 3cfj s TRP 157 Cb 0.03 -1.78 0.03 0.00 -1.15 0.00 0.00 33.47 30.59 3cfj s TRP 157 CO 0.15 -0.41 0.86 0.09 0.02 0.00 0.00 176.95 177.66 3cfj n ASN 162 N 3.68 -2.75 -2.12 2.95 3.02 0.42 -1.54 115.26 118.91 3cfj n ASN 162 Ca -0.19 -0.76 -0.19 0.00 -0.03 0.00 0.00 54.58 53.41 3cfj n ASN 162 Cb 0.53 -4.21 -0.01 0.00 -0.61 0.00 0.00 39.78 35.48 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 -3.00 -5.43 0.00 6.41 7.64 -1.26 -1.41 113.62 116.57 3cfj n SER 163 Ca -0.17 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.71 3cfj n SER 163 Cb 0.62 -4.49 0.00 0.00 -1.01 0.00 0.00 64.21 59.34 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 -1.00 1.37 0.20 0.23 0.00 -0.59 -4.90 105.19 100.50 3cfj n GLY 164 Ca -0.22 0.00 0.06 0.00 0.00 0.00 0.00 46.02 45.86 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 1.09 -3.02 4.61 0.00 -1.08 -3.41 119.26 117.45 3cfj h ALA 165 Ca 0.00 -0.31 -0.68 0.00 0.00 0.00 0.00 54.91 53.92 3cfj h ALA 165 Cb 0.00 -0.06 -0.26 0.00 0.00 0.00 0.00 17.79 17.47 3cfj h ALA 165 CO 0.00 0.43 -0.61 -1.17 0.00 0.00 0.00 179.25 177.90 3cfj s LEU 166 N -7.27 3.94 0.00 0.00 2.96 -0.86 -4.91 118.68 112.54 3cfj s LEU 166 Ca -0.01 -0.75 0.00 0.00 -0.22 0.00 0.00 54.13 53.15 3cfj s LEU 166 Cb 0.12 -1.89 0.00 0.00 0.50 0.00 0.00 46.19 44.92 3cfj s LEU 166 CO 0.68 -0.21 0.00 0.35 -1.32 0.00 0.00 176.35 175.85 3cfj n THR 167 N 4.87 0.00 -1.93 3.68 -2.24 -1.26 -4.13 114.28 113.26 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 0.48 -0.49 -0.03 0.00 -2.10 0.00 0.00 70.33 68.18 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 -2.98 6.59 0.00 3.42 0.15 -1.26 -2.31 113.70 117.31 3cfj s SER 168 Ca 0.00 2.58 0.00 0.00 0.70 0.00 0.00 55.95 59.23 3cfj s SER 168 Cb 0.00 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 61.73 3cfj s SER 168 CO 0.00 -0.84 0.00 0.61 1.20 0.00 0.00 173.24 174.21 3cfj n GLY 169 N 3.82 0.77 3.75 9.45 0.00 -1.26 -4.85 105.19 116.87 3cfj n GLY 169 Ca 0.14 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.99 5.00 -0.14 1.61 1.01 -0.98 -1.94 120.40 121.97 3cfj s VAL 171 Ca 0.00 1.20 -0.01 0.00 0.00 0.00 0.00 61.98 63.17 3cfj s VAL 171 Cb 0.00 -3.92 0.04 0.00 0.00 0.00 0.00 36.38 32.50 3cfj s VAL 171 CO 0.00 0.38 -0.05 -1.00 0.00 0.00 0.00 175.10 174.42 3cfj s HIS 172 N 0.12 1.50 -0.27 5.22 3.76 -0.15 -5.00 115.29 120.47 3cfj s HIS 172 Ca 0.31 -0.88 -0.11 0.00 -0.15 0.00 0.00 55.06 54.23 3cfj s HIS 172 Cb -0.17 -1.23 -0.05 0.00 1.11 0.00 0.00 32.58 32.24 3cfj s HIS 172 CO 0.16 -0.56 0.18 0.99 -0.85 0.00 0.00 174.74 174.66 3cfj s THR 173 N 1.70 5.31 0.33 1.30 2.01 -1.26 -0.57 115.64 124.46 3cfj s THR 173 Ca 0.02 0.17 -0.15 0.00 0.31 0.00 0.00 61.69 62.05 3cfj s THR 173 Cb -0.14 -3.52 -0.09 0.00 0.01 0.00 0.00 72.50 68.76 3cfj s THR 173 CO -0.08 0.27 0.74 -0.36 -0.69 0.00 0.00 174.62 174.50 3cfj s PHE 174 N 1.65 3.38 0.41 4.92 0.08 -0.33 -5.02 117.98 123.07 3cfj s PHE 174 Ca 0.07 1.21 -0.25 0.00 0.12 0.00 0.00 56.93 58.08 3cfj s PHE 174 Cb -0.16 -2.53 -0.11 0.00 -0.57 0.00 0.00 43.02 39.65 3cfj s PHE 174 CO 0.10 0.07 1.01 -2.30 -0.10 0.00 0.00 175.22 174.00 3cfj n PRO 175 N -0.47 1.37 -2.04 0.24 -0.02 -1.26 -4.58 135.00 128.24 3cfj n PRO 175 Ca 0.03 0.49 -0.34 0.00 -2.02 0.00 0.00 63.50 61.67 3cfj n PRO 175 Cb 0.53 -2.03 0.02 0.00 -0.02 0.00 0.00 33.50 32.00 3cfj n PRO 175 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3cfj s ALA 176 N -1.25 2.62 0.10 3.55 0.00 -1.26 -4.77 121.76 120.74 3cfj s ALA 176 Ca 0.62 0.63 0.10 0.00 0.00 0.00 0.00 51.96 53.32 3cfj s ALA 176 Cb -0.57 -3.32 -0.04 0.00 0.00 0.00 0.00 23.12 19.20 3cfj s ALA 176 CO 0.57 -0.95 -0.26 0.08 0.00 0.00 0.00 175.76 175.20 3cfj s VAL 177 N -2.12 2.29 -0.38 0.00 1.01 0.35 -4.94 120.40 116.61 3cfj s VAL 177 Ca 0.69 -1.61 -0.17 0.00 0.00 0.00 0.00 61.98 60.88 3cfj s VAL 177 Cb -0.21 -1.98 0.00 0.00 0.00 0.00 0.00 36.38 34.20 3cfj s VAL 177 CO 0.34 0.18 0.46 -0.22 0.00 0.00 0.00 175.10 175.86 3cfj s LEU 178 N -1.80 4.55 0.80 3.92 2.96 -1.26 -1.04 118.68 126.81 3cfj s LEU 178 Ca 0.14 -0.32 -0.12 0.00 -0.22 0.00 0.00 54.13 53.61 3cfj s LEU 178 Cb -0.10 -2.47 0.07 0.00 0.50 0.00 0.00 46.19 44.19 3cfj s LEU 178 CO 0.05 -0.50 1.11 -1.10 -1.32 0.00 0.00 176.35 174.59 3cfj s GLN 179 N 2.25 2.06 0.17 1.98 -0.21 0.74 -4.92 119.66 121.73 3cfj s GLN 179 Ca 0.15 0.52 0.21 0.00 0.02 0.00 0.00 55.36 56.27 3cfj s GLN 179 Cb -0.16 -1.92 0.88 0.00 1.00 0.00 0.00 33.01 32.80 3cfj s GLN 179 CO 0.14 -1.61 1.66 -1.13 -2.12 0.00 0.00 175.29 172.22 3cfj n SER 180 N -3.41 0.47 0.00 5.90 3.41 -1.26 -1.68 113.62 117.04 3cfj n SER 180 Ca 0.07 0.61 0.11 0.00 -0.26 0.00 0.00 58.87 59.40 3cfj n SER 180 Cb 0.57 -0.71 0.62 0.00 -0.26 0.00 0.00 64.21 64.44 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 -2.00 0.00 0.00 4.04 3.41 -1.26 -4.87 113.62 112.93 3cfj n SER 182 Ca 0.03 -0.39 0.00 0.00 -0.26 0.00 0.00 58.87 58.25 3cfj n SER 182 Cb 0.23 -0.14 0.00 0.00 -0.26 0.00 0.00 64.21 64.05 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 0.51 0.84 3.77 5.00 0.00 -0.68 -5.04 105.19 109.58 3cfj n GLY 183 Ca 0.14 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 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 3.74 0.34 0.99 1.43 -1.26 -4.87 118.68 119.04 3cfj s LEU 184 Ca 0.00 -0.09 -0.02 0.00 -1.03 0.00 0.00 54.13 52.99 3cfj s LEU 184 Cb 0.00 -2.40 -0.04 0.00 0.03 0.00 0.00 46.19 43.78 3cfj s LEU 184 CO 0.00 0.13 0.58 -0.31 0.23 0.00 0.00 176.35 176.98 3cfj s TYR 185 N -1.52 3.50 -0.11 0.29 2.02 0.17 -0.19 117.35 121.51 3cfj s TYR 185 Ca 0.29 0.52 -0.09 0.00 -0.37 0.00 0.00 57.07 57.42 3cfj s TYR 185 Cb -0.11 -2.02 0.03 0.00 -0.40 0.00 0.00 41.96 39.46 3cfj s TYR 185 CO 0.22 0.10 0.29 0.45 -1.57 0.00 0.00 175.55 175.03 3cfj s SER 186 N -3.69 -0.30 0.10 2.29 0.15 -0.21 -1.42 113.70 110.61 3cfj s SER 186 Ca 0.42 0.58 -0.02 0.00 0.70 0.00 0.00 55.95 57.63 3cfj s SER 186 Cb -0.10 0.57 -0.04 0.00 -1.71 0.00 0.00 66.02 64.74 3cfj s SER 186 CO 0.35 -0.11 0.04 -1.48 1.20 0.00 0.00 173.24 173.24 3cfj s LEU 187 N 0.35 2.00 0.12 3.45 0.05 0.11 -0.49 118.68 124.26 3cfj s LEU 187 Ca -0.02 -1.06 0.09 0.00 0.05 0.00 0.00 54.13 53.19 3cfj s LEU 187 Cb -0.03 0.36 -0.04 0.00 -2.05 0.00 0.00 46.19 44.43 3cfj s LEU 187 CO -0.01 -0.69 -0.23 -0.94 -0.55 0.00 0.00 176.35 173.93 3cfj s SER 188 N -2.98 2.87 -0.04 1.48 1.04 -1.26 -0.13 113.70 114.69 3cfj s SER 188 Ca 0.15 -0.72 0.02 0.00 0.48 0.00 0.00 55.95 55.88 3cfj s SER 188 Cb 0.07 -0.17 0.01 0.00 0.10 0.00 0.00 66.02 66.03 3cfj s SER 188 CO -0.04 0.10 -0.07 -0.55 0.98 0.00 0.00 173.24 173.67 3cfj s SER 189 N -2.01 1.09 0.20 7.02 0.15 -0.65 -1.19 113.70 118.31 3cfj s SER 189 Ca 0.10 -0.16 0.05 0.00 0.70 0.00 0.00 55.95 56.64 3cfj s SER 189 Cb -0.10 -0.44 -0.05 0.00 -1.71 0.00 0.00 66.02 63.73 3cfj s SER 189 CO 0.05 -0.00 -0.07 0.68 1.20 0.00 0.00 173.24 175.10 3cfj s VAL 190 N 0.60 1.27 -0.03 4.45 -7.23 0.27 -0.94 120.40 118.78 3cfj s VAL 190 Ca -0.09 -2.08 0.01 0.00 -1.81 0.00 0.00 61.98 58.00 3cfj s VAL 190 Cb -0.12 -2.12 0.02 0.00 0.56 0.00 0.00 36.38 34.72 3cfj s VAL 190 CO 0.01 -0.52 -0.02 -0.69 -0.31 0.00 0.00 175.10 173.57 3cfj s VAL 191 N -3.26 0.30 -0.13 1.32 1.01 0.66 -0.97 120.40 119.31 3cfj s VAL 191 Ca 0.23 0.00 -0.04 0.00 0.00 0.00 0.00 61.98 62.18 3cfj s VAL 191 Cb 0.03 -0.36 -0.03 0.00 0.00 0.00 0.00 36.38 36.02 3cfj s VAL 191 CO 0.06 0.17 0.01 0.42 0.00 0.00 0.00 175.10 175.75 3cfj s THR 192 N 0.91 4.31 0.10 3.92 -4.23 -0.82 -1.63 115.64 118.20 3cfj s THR 192 Ca -0.10 -0.22 0.05 0.00 -1.18 0.00 0.00 61.69 60.23 3cfj s THR 192 Cb -0.13 -2.87 -0.03 0.00 1.34 0.00 0.00 72.50 70.80 3cfj s THR 192 CO -0.01 0.53 -0.12 0.68 -0.54 0.00 0.00 174.62 175.16 3cfj s VAL 193 N -0.15 1.11 0.09 2.29 -7.23 -0.30 -4.65 120.40 111.56 3cfj s VAL 193 Ca 0.05 -1.57 -0.34 0.00 -1.81 0.00 0.00 61.98 58.30 3cfj s VAL 193 Cb -0.13 -1.33 -0.14 0.00 0.56 0.00 0.00 36.38 35.35 3cfj s VAL 193 CO 0.02 -0.42 1.62 -0.81 -0.31 0.00 0.00 175.10 175.19 3cfj n PRO 194 N 0.74 2.03 -0.28 4.82 -0.04 -1.26 0.03 135.00 141.04 3cfj n PRO 194 Ca -0.17 0.73 0.01 0.00 -0.04 0.00 0.00 63.50 64.03 3cfj n PRO 194 Cb 0.56 -2.50 0.08 0.00 -0.04 0.00 0.00 33.50 31.60 3cfj n PRO 194 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 3cfj h SER 195 N 6.49 -0.85 0.22 3.54 0.02 -1.61 0.94 113.55 122.30 3cfj h SER 195 Ca -0.46 0.24 0.00 0.00 -0.84 0.00 0.00 61.79 60.73 3cfj h SER 195 Cb 1.27 0.53 0.00 0.00 0.14 0.00 0.00 62.40 64.33 3cfj h SER 195 CO 0.89 -0.27 0.00 -1.54 -1.14 0.00 0.00 176.83 174.77 3cfj n SER 196 N -5.51 0.00 -0.77 3.07 3.41 -1.26 -1.84 113.62 110.73 3cfj n SER 196 Ca 0.10 -0.02 0.13 0.00 -0.26 0.00 0.00 58.87 58.82 3cfj n SER 196 Cb 0.40 -0.23 0.27 0.00 -0.26 0.00 0.00 64.21 64.39 3cfj n SER 196 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3cfj n SER 197 N -1.23 2.40 0.09 4.04 3.41 0.32 -4.67 113.62 117.98 3cfj n SER 197 Ca 0.08 -1.80 -0.14 0.00 -0.26 0.00 0.00 58.87 56.75 3cfj n SER 197 Cb 0.10 -0.01 -0.07 0.00 -0.26 0.00 0.00 64.21 63.98 3cfj n SER 197 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 3cfj h LEU 198 N 3.74 -1.21 -0.56 1.04 5.85 -1.46 -0.41 115.31 122.30 3cfj h LEU 198 Ca 0.00 0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.86 3cfj h LEU 198 Cb 0.80 0.47 0.00 0.00 0.37 0.00 0.00 40.66 42.29 3cfj h LEU 198 CO 0.00 -0.46 0.00 0.61 -0.34 0.00 0.00 178.44 178.25 3cfj n GLY 199 N -1.45 0.34 0.04 3.75 0.00 -1.26 -3.89 105.19 102.72 3cfj n GLY 199 Ca -0.06 -0.01 0.11 0.00 0.00 0.00 0.00 46.02 46.06 3cfj n GLY 199 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3cfj n THR 200 N -0.22 0.20 -3.98 2.61 -1.04 -0.16 -4.95 114.28 106.73 3cfj n THR 200 Ca 0.00 -0.29 -0.09 0.00 -2.04 0.00 0.00 64.05 61.64 3cfj n THR 200 Cb 0.14 0.15 -0.11 0.00 -1.82 0.00 0.00 70.33 68.70 3cfj n THR 200 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 3cfj s GLN 203 N -3.24 0.40 0.14 -2.82 -1.52 -1.25 -5.15 119.66 106.22 3cfj s GLN 203 Ca 0.02 -0.71 -0.14 0.00 -1.95 0.00 0.00 55.36 52.59 3cfj s GLN 203 Cb 0.14 0.14 -0.07 0.00 -0.22 0.00 0.00 33.01 33.01 3cfj s GLN 203 CO 0.81 -0.07 0.53 0.99 -0.25 0.00 0.00 175.29 177.30 3cfj s THR 205 N -1.96 4.88 -0.21 -0.19 2.01 -1.26 -5.03 115.64 113.88 3cfj s THR 205 Ca -0.11 0.81 0.00 0.00 0.31 0.00 0.00 61.69 62.70 3cfj s THR 205 Cb -0.06 -3.73 0.05 0.00 0.01 0.00 0.00 72.50 68.77 3cfj s THR 205 CO -0.03 0.26 -0.06 -0.31 -0.69 0.00 0.00 174.62 173.80 3cfj s TYR 206 N -1.44 2.16 -0.11 4.92 2.02 -1.26 -4.95 117.35 118.68 3cfj s TYR 206 Ca 0.37 -1.50 0.04 0.00 -0.37 0.00 0.00 57.07 55.60 3cfj s TYR 206 Cb -0.15 -1.50 0.00 0.00 -0.40 0.00 0.00 41.96 39.91 3cfj s TYR 206 CO 0.19 -0.72 -0.23 0.42 -1.57 0.00 0.00 175.55 173.64 3cfj s ILE 207 N 1.48 2.06 -0.20 2.71 1.01 -1.26 -0.25 121.20 126.74 3cfj s ILE 207 Ca -0.03 -1.01 -0.10 0.00 0.00 0.00 0.00 60.65 59.52 3cfj s ILE 207 Cb -0.17 -1.79 -0.05 0.00 0.01 0.00 0.00 42.46 40.46 3cfj s ILE 207 CO -0.07 0.56 0.13 0.00 0.00 0.00 0.00 174.94 175.55 3cfj s ASN 209 N 0.38 5.62 -0.14 0.00 -0.87 0.13 -1.52 114.94 118.54 3cfj s ASN 209 Ca 0.08 -0.42 0.02 0.00 -1.57 0.00 0.00 52.86 50.97 3cfj s ASN 209 Cb -0.11 -2.02 0.00 0.00 -0.02 0.00 0.00 41.25 39.10 3cfj s ASN 209 CO -0.02 -0.17 -0.20 -0.69 -2.57 0.00 0.00 177.10 173.46 3cfj s VAL 210 N 1.64 2.28 -0.07 1.60 1.01 0.50 -1.48 120.40 125.88 3cfj s VAL 210 Ca 0.05 -0.91 0.04 0.00 0.00 0.00 0.00 61.98 61.16 3cfj s VAL 210 Cb -0.17 -1.93 0.00 0.00 0.00 0.00 0.00 36.38 34.29 3cfj s VAL 210 CO 0.07 0.54 -0.18 0.21 0.00 0.00 0.00 175.10 175.74 3cfj s ASN 211 N 0.75 2.40 -0.41 3.32 2.47 -0.02 -0.86 114.94 122.58 3cfj s ASN 211 Ca -0.08 -0.42 0.03 0.00 0.42 0.00 0.00 52.86 52.82 3cfj s ASN 211 Cb -0.16 -0.98 0.12 0.00 -1.45 0.00 0.00 41.25 38.78 3cfj s ASN 211 CO 0.00 0.12 0.16 -2.28 -3.72 0.00 0.00 177.10 171.38 3cfj s HIS 212 N 0.36 3.07 0.19 0.43 5.65 0.58 -0.92 115.29 124.64 3cfj s HIS 212 Ca -0.13 -2.84 -0.17 0.00 0.25 0.00 0.00 55.06 52.17 3cfj s HIS 212 Cb -0.15 -2.60 0.16 0.00 -1.18 0.00 0.00 32.58 28.80 3cfj s HIS 212 CO 0.05 -0.84 1.63 0.87 -0.65 0.00 0.00 174.74 175.79 3cfj h LYS 213 N 7.15 -0.07 0.00 2.88 1.79 -1.82 -1.90 116.57 124.59 3cfj h LYS 213 Ca -0.06 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.40 3cfj h LYS 213 Cb 0.96 0.02 -0.00 0.00 -1.58 0.00 0.00 32.23 31.63 3cfj h LYS 213 CO 0.57 -0.05 -0.05 -1.35 -1.08 0.00 0.00 179.45 177.49 3cfj h PRO 214 N -0.07 0.00 -0.34 3.15 0.11 -1.92 -0.07 132.00 132.86 3cfj h PRO 214 Ca 0.24 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.35 3cfj h PRO 214 Cb 0.45 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.56 3cfj h PRO 214 CO -0.57 0.05 0.00 -1.13 -0.21 0.00 0.00 178.00 176.14 3cfj n SER 215 N -3.89 2.91 -2.62 -2.05 3.41 -1.09 -4.99 113.62 105.30 3cfj n SER 215 Ca -0.03 -1.91 -0.21 0.00 -0.26 0.00 0.00 58.87 56.47 3cfj n SER 215 Cb 0.14 -0.22 0.01 0.00 -0.26 0.00 0.00 64.21 63.88 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 0.74 -5.96 -4.60 4.04 3.02 -0.04 -4.91 115.26 107.55 3cfj n ASN 216 Ca 0.13 -0.14 -0.39 0.00 -0.03 0.00 0.00 54.58 54.15 3cfj n ASN 216 Cb 0.44 -4.88 -0.09 0.00 -0.61 0.00 0.00 39.78 34.64 3cfj n ASN 216 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3cfj s THR 217 N -3.09 5.15 -0.16 3.41 2.01 -0.87 -4.98 115.64 117.11 3cfj s THR 217 Ca 0.13 0.57 0.01 0.00 0.31 0.00 0.00 61.69 62.72 3cfj s THR 217 Cb -0.06 -3.73 0.01 0.00 0.01 0.00 0.00 72.50 68.72 3cfj s THR 217 CO 0.17 0.12 -0.17 -0.54 -0.69 0.00 0.00 174.62 173.50 3cfj s LYS 218 N 2.11 3.12 -0.05 4.92 1.02 -1.26 -0.31 119.74 129.30 3cfj s LYS 218 Ca 0.16 -0.79 0.03 0.00 0.02 0.00 0.00 55.97 55.39 3cfj s LYS 218 Cb -0.16 -2.59 0.00 0.00 -0.52 0.00 0.00 37.83 34.57 3cfj s LYS 218 CO 0.10 -0.06 -0.13 0.08 -0.92 0.00 0.00 175.35 174.42 3cfj s VAL 219 N 0.98 1.14 -0.29 3.17 1.01 -0.04 -5.00 120.40 121.36 3cfj s VAL 219 Ca -0.03 -0.53 -0.03 0.00 0.00 0.00 0.00 61.98 61.40 3cfj s VAL 219 Cb -0.15 -1.01 0.04 0.00 0.00 0.00 0.00 36.38 35.26 3cfj s VAL 219 CO -0.04 0.34 0.00 -1.81 0.00 0.00 0.00 175.10 173.60 3cfj s ASP 220 N 0.30 4.83 -0.22 3.32 1.01 -1.26 -0.37 116.67 124.28 3cfj s ASP 220 Ca -0.07 -1.12 -0.05 0.00 0.71 0.00 0.00 52.55 52.02 3cfj s ASP 220 Cb -0.12 -1.73 -0.01 0.00 1.01 0.00 0.00 42.92 42.06 3cfj s ASP 220 CO 0.02 -0.23 -0.02 -0.75 0.21 0.00 0.00 175.17 174.40 3cfj s LYS 221 N 1.31 3.45 -0.02 8.23 2.47 -0.58 -4.95 119.74 129.64 3cfj s LYS 221 Ca -0.03 -0.59 -0.30 0.00 -1.56 0.00 0.00 55.97 53.49 3cfj s LYS 221 Cb -0.19 -3.08 -0.03 0.00 -1.46 0.00 0.00 37.83 33.07 3cfj s LYS 221 CO -0.01 -0.18 1.11 0.21 0.16 0.00 0.00 175.35 176.64 3cfj s LYS 222 N 1.47 4.43 -0.34 4.03 2.20 -1.26 -1.17 119.74 129.10 3cfj s LYS 222 Ca 0.06 1.58 -0.09 0.00 -0.36 0.00 0.00 55.97 57.16 3cfj s LYS 222 Cb -0.14 -3.48 0.02 0.00 -1.51 0.00 0.00 37.83 32.72 3cfj s LYS 222 CO -0.01 -0.29 0.16 0.08 -0.36 0.00 0.00 175.35 174.93 3cfj s VAL 223 N 1.62 4.33 0.00 4.02 1.01 0.65 -4.93 120.40 127.11 3cfj s VAL 223 Ca 0.54 -0.81 0.00 0.00 0.00 0.00 0.00 61.98 61.72 3cfj s VAL 223 Cb -0.24 -3.36 -0.04 0.00 0.00 0.00 0.00 36.38 32.75 3cfj s VAL 223 CO 0.24 -0.12 0.06 -1.61 0.00 0.00 0.00 175.10 173.67 3cfj s GLU 226 N 1.53 2.96 0.54 2.72 2.02 -1.26 -4.40 118.70 122.81 3cfj s GLU 226 Ca 0.02 -0.54 -0.21 0.00 0.02 0.00 0.00 54.97 54.25 3cfj s GLU 226 Cb -0.19 -2.79 -0.06 0.00 0.10 0.00 0.00 34.13 31.20 3cfj s GLU 226 CO 0.05 0.63 1.20 -2.30 0.02 0.00 0.00 175.26 174.87 3cfj n PRO 227 N 1.19 1.42 -0.59 0.39 -0.02 -1.26 -4.33 135.00 131.79 3cfj n PRO 227 Ca -0.13 0.53 0.00 0.00 -2.02 0.00 0.00 63.50 61.87 3cfj n PRO 227 Cb 0.53 -2.39 0.00 0.00 -0.02 0.00 0.00 33.50 31.62 3cfj n PRO 227 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11