#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cxc s ARG 2 N 0.00 2.67 0.40 1.61 0.52 -0.84 -5.07 118.95 118.24 3cxc s ARG 2 Ca 0.00 -1.35 -0.26 0.00 -0.52 0.00 0.00 55.73 53.60 3cxc s ARG 2 Cb 0.00 -2.45 -0.09 0.00 0.52 0.00 0.00 34.95 32.94 3cxc s ARG 2 CO 0.00 0.03 1.27 1.03 0.02 0.00 0.00 175.30 177.65 3cxc s ARG 3 N -4.02 3.99 0.88 3.54 1.81 -1.26 -4.81 118.95 119.08 3cxc s ARG 3 Ca 0.42 2.09 -0.14 0.00 -1.72 0.00 0.00 55.73 56.39 3cxc s ARG 3 Cb -0.05 -2.75 0.13 0.00 -0.45 0.00 0.00 34.95 31.83 3cxc s ARG 3 CO 0.27 -0.45 1.24 0.96 -0.68 0.00 0.00 175.30 176.64 3cxc s ILE 4 N -1.29 2.00 0.25 1.52 -4.36 -1.26 -4.88 121.20 113.18 3cxc s ILE 4 Ca 0.57 -0.00 -0.04 0.00 -0.26 0.00 0.00 60.65 60.92 3cxc s ILE 4 Cb -0.37 -3.00 0.23 0.00 1.25 0.00 0.00 42.46 40.57 3cxc s ILE 4 CO 0.47 0.00 1.83 -0.61 0.24 0.00 0.00 174.94 176.87 3cxc h GLN 5 N -1.32 0.86 -0.02 0.37 4.15 -1.95 -1.85 115.11 115.34 3cxc h GLN 5 Ca -0.45 -0.05 0.01 0.00 0.77 0.00 0.00 58.65 58.92 3cxc h GLN 5 Cb 1.29 -0.19 -0.00 0.00 0.21 0.00 0.00 27.48 28.78 3cxc h GLN 5 CO 0.53 0.57 0.04 0.78 -1.93 0.00 0.00 178.83 178.82 3cxc h GLY 6 N 0.89 0.00 1.71 2.39 0.00 -1.98 -0.65 103.07 105.42 3cxc h GLY 6 Ca 0.41 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 47.52 3cxc h GLY 6 CO -0.23 0.00 -1.14 1.46 0.00 0.00 0.00 176.54 176.63 3cxc h GLN 7 N 0.00 0.00 -0.36 4.80 4.20 -1.70 -3.26 115.11 118.79 3cxc h GLN 7 Ca 0.01 0.00 -0.12 0.00 0.06 0.00 0.00 58.65 58.60 3cxc h GLN 7 Cb 0.09 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.85 3cxc h GLN 7 CO -0.00 0.80 -0.25 0.00 -0.67 0.00 0.00 178.83 178.71 3cxc h ARG 8 N 0.00 0.73 -0.07 1.46 -0.00 -0.97 -3.24 114.38 112.30 3cxc h ARG 8 Ca -0.08 -0.30 0.04 0.00 -0.50 0.00 0.00 59.98 59.13 3cxc h ARG 8 Cb 1.78 -0.03 -0.06 0.00 0.00 0.00 0.00 29.97 31.67 3cxc h ARG 8 CO 0.11 0.91 -0.33 0.00 0.00 0.00 0.00 179.97 180.66 3cxc h ARG 9 N 0.64 -0.42 -1.23 0.04 3.08 -1.49 -2.36 114.38 112.64 3cxc h ARG 9 Ca 0.08 0.03 0.35 0.00 0.07 0.00 0.00 59.98 60.52 3cxc h ARG 9 Cb 0.75 0.10 -0.08 0.00 0.08 0.00 0.00 29.97 30.82 3cxc h ARG 9 CO 0.06 -0.28 0.84 0.78 -1.07 0.00 0.00 179.97 180.29 3cxc h GLY 10 N -0.44 0.67 1.88 0.04 0.00 -1.65 0.18 103.07 103.75 3cxc h GLY 10 Ca 0.08 -0.09 0.00 0.00 0.00 0.00 0.00 47.33 47.31 3cxc h GLY 10 CO -0.31 -0.13 0.06 3.21 0.00 0.00 0.00 176.54 179.37 3cxc h ARG 11 N 0.15 0.00 -5.76 4.80 3.08 -1.54 -3.46 114.38 111.66 3cxc h ARG 11 Ca 0.65 0.00 -0.37 0.00 0.07 0.00 0.00 59.98 60.34 3cxc h ARG 11 Cb 2.19 0.00 0.15 0.00 0.08 0.00 0.00 29.97 32.39 3cxc h ARG 11 CO -0.19 0.00 -0.72 0.41 -1.07 0.00 0.00 179.97 178.40 3cxc n GLY 12 N -1.13 -0.46 3.94 0.04 0.00 0.64 -5.01 105.19 103.20 3cxc n GLY 12 Ca -0.03 0.19 -0.27 0.00 0.00 0.00 0.00 46.02 45.91 3cxc n GLY 12 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3cxc s THR 13 N -3.34 2.17 0.21 2.61 -4.23 -1.26 -4.80 115.64 107.00 3cxc s THR 13 Ca 0.32 -0.24 -0.15 0.00 -1.18 0.00 0.00 61.69 60.43 3cxc s THR 13 Cb -0.14 -2.92 0.23 0.00 1.34 0.00 0.00 72.50 71.01 3cxc s THR 13 CO 0.73 0.00 1.60 -1.28 -0.54 0.00 0.00 174.62 175.13 3cxc h SER 14 N -0.86 -0.82 -0.18 3.99 0.87 -1.96 -0.46 113.55 114.13 3cxc h SER 14 Ca -0.43 0.22 0.05 0.00 -1.23 0.00 0.00 61.79 60.40 3cxc h SER 14 Cb 1.29 0.48 -0.01 0.00 -0.44 0.00 0.00 62.40 63.73 3cxc h SER 14 CO 0.52 -0.26 0.23 0.74 -0.53 0.00 0.00 176.83 177.54 3cxc h THR 15 N -0.05 0.38 -0.00 2.23 2.02 -2.01 -2.80 112.91 112.67 3cxc h THR 15 Ca 0.30 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.48 3cxc h THR 15 Cb 0.53 0.81 0.00 0.00 -1.74 0.00 0.00 68.15 67.75 3cxc h THR 15 CO -0.71 0.00 -0.52 0.49 0.37 0.00 0.00 175.52 175.15 3cxc n PHE 16 N -3.65 0.00 -1.93 3.16 3.01 -0.22 -4.38 117.46 113.45 3cxc n PHE 16 Ca 0.02 0.00 -0.29 0.00 1.01 0.00 0.00 57.45 58.19 3cxc n PHE 16 Cb 0.35 0.00 0.10 0.00 -0.01 0.00 0.00 39.48 39.91 3cxc n PHE 16 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 3cxc s ARG 17 N -2.11 1.86 -0.00 -1.08 0.52 -0.97 -4.20 118.95 112.97 3cxc s ARG 17 Ca 0.09 0.03 -0.02 0.00 -0.52 0.00 0.00 55.73 55.30 3cxc s ARG 17 Cb 0.11 -1.96 -0.04 0.00 0.52 0.00 0.00 34.95 33.58 3cxc s ARG 17 CO 0.50 -1.64 0.16 0.00 0.02 0.00 0.00 175.30 174.34 3cxc s ALA 18 N -3.58 3.88 -0.12 2.13 0.00 -1.26 -4.12 121.76 118.69 3cxc s ALA 18 Ca 0.63 -0.79 -0.03 0.00 0.00 0.00 0.00 51.96 51.77 3cxc s ALA 18 Cb -0.10 -1.81 -0.09 0.00 0.00 0.00 0.00 23.12 21.11 3cxc s ALA 18 CO 0.49 0.74 1.71 -0.35 0.00 0.00 0.00 175.76 178.35 3cxc n PRO 19 N 0.95 0.89 -0.26 0.00 -0.04 -1.26 -4.66 135.00 130.62 3cxc n PRO 19 Ca -0.11 -0.53 0.10 0.00 -0.04 0.00 0.00 63.50 62.92 3cxc n PRO 19 Cb 0.52 -1.81 0.20 0.00 -0.04 0.00 0.00 33.50 32.38 3cxc n PRO 19 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 3cxc n SER 20 N 3.11 -0.12 0.22 3.54 7.64 -1.26 0.10 113.62 126.86 3cxc n SER 20 Ca 0.19 1.27 0.15 0.00 1.01 0.00 0.00 58.87 61.49 3cxc n SER 20 Cb 0.30 -0.45 0.80 0.00 -1.01 0.00 0.00 64.21 63.86 3cxc n SER 20 CO 0.00 0.00 0.00 1.12 -3.01 0.00 0.00 175.04 173.15 3cxc h HIS 21 N 0.00 0.00 0.00 1.43 2.07 -2.04 0.46 115.15 117.07 3cxc h HIS 21 Ca 0.43 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.95 3cxc h HIS 21 Cb 0.86 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.84 3cxc h HIS 21 CO -0.42 0.00 -0.92 -2.13 -3.07 0.00 0.00 177.93 171.40 3cxc n ARG 22 N -2.54 0.02 -2.53 5.12 0.63 0.29 -4.94 116.66 112.71 3cxc n ARG 22 Ca -0.02 -0.00 -0.36 0.00 -0.92 0.00 0.00 57.85 56.54 3cxc n ARG 22 Cb 0.05 -1.50 -0.04 0.00 0.45 0.00 0.00 32.46 31.42 3cxc n ARG 22 CO 0.00 0.00 0.00 0.71 -2.51 0.00 0.00 177.63 175.83 3cxc s TYR 23 N -3.02 3.21 -0.09 -0.14 4.12 0.16 -4.91 117.35 116.68 3cxc s TYR 23 Ca 0.08 1.63 -0.03 0.00 0.02 0.00 0.00 57.07 58.77 3cxc s TYR 23 Cb 0.16 -3.13 -0.01 0.00 -1.52 0.00 0.00 41.96 37.46 3cxc s TYR 23 CO 0.83 -0.70 -0.06 0.87 0.02 0.00 0.00 175.55 176.51 3cxc h LYS 24 N 2.34 0.00 -2.95 -0.62 1.57 -1.92 -3.50 116.57 111.49 3cxc h LYS 24 Ca -0.48 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.20 3cxc h LYS 24 Cb 1.22 0.00 -0.18 0.00 0.08 0.00 0.00 32.23 33.34 3cxc h LYS 24 CO 0.62 0.00 -0.16 0.00 -0.57 0.00 0.00 179.45 179.33 3cxc s ALA 25 N -2.70 -0.95 -1.23 3.86 0.00 -1.26 -5.07 121.76 114.41 3cxc s ALA 25 Ca -0.05 0.39 -0.16 0.00 0.00 0.00 0.00 51.96 52.15 3cxc s ALA 25 Cb 0.01 0.18 0.13 0.00 0.00 0.00 0.00 23.12 23.44 3cxc s ALA 25 CO 0.07 -0.35 1.54 0.34 0.00 0.00 0.00 175.76 177.35 3cxc s ASP 26 N -1.62 6.97 -0.15 0.00 -1.08 -1.26 -4.97 116.67 114.56 3cxc s ASP 26 Ca -0.10 -2.75 -0.34 0.00 -0.52 0.00 0.00 52.55 48.84 3cxc s ASP 26 Cb -0.03 -2.47 -0.11 0.00 -1.46 0.00 0.00 42.92 38.85 3cxc s ASP 26 CO 0.02 -0.92 1.94 0.18 0.52 0.00 0.00 175.17 176.92 3cxc n LEU 27 N 6.70 3.17 -3.76 -1.34 4.77 -1.26 -4.94 117.00 120.34 3cxc n LEU 27 Ca 0.41 0.84 -0.13 0.00 -0.03 0.00 0.00 56.01 57.09 3cxc n LEU 27 Cb 0.44 -1.35 -0.09 0.00 -2.33 0.00 0.00 43.42 40.09 3cxc n LEU 27 CO 0.67 -0.23 0.02 -1.61 -1.33 0.00 0.00 177.39 174.92 3cxc s GLU 28 N 4.55 0.58 0.56 3.23 2.02 -1.26 -4.95 118.70 123.42 3cxc s GLU 28 Ca 0.96 0.04 -0.21 0.00 0.02 0.00 0.00 54.97 55.78 3cxc s GLU 28 Cb -0.72 0.26 -0.04 0.00 0.10 0.00 0.00 34.13 33.73 3cxc s GLU 28 CO 0.51 -0.14 1.34 -1.01 0.02 0.00 0.00 175.26 175.99 3cxc s HIS 29 N -0.81 2.27 0.84 1.61 3.76 -0.79 -4.98 115.29 117.19 3cxc s HIS 29 Ca -0.09 1.39 -0.11 0.00 -0.15 0.00 0.00 55.06 56.10 3cxc s HIS 29 Cb -0.04 -3.78 0.09 0.00 1.11 0.00 0.00 32.58 29.97 3cxc s HIS 29 CO 0.03 -2.87 1.09 1.03 -0.85 0.00 0.00 174.74 173.17 3cxc s ARG 30 N -2.97 1.74 -0.22 1.40 0.52 -1.26 -4.81 118.95 113.35 3cxc s ARG 30 Ca 0.73 0.79 -0.07 0.00 -0.52 0.00 0.00 55.73 56.66 3cxc s ARG 30 Cb -0.40 -1.87 -0.03 0.00 0.52 0.00 0.00 34.95 33.17 3cxc s ARG 30 CO 0.46 -1.90 0.05 0.15 0.02 0.00 0.00 175.30 174.09 3cxc s LYS 31 N -5.02 3.75 -0.16 3.54 1.02 -1.26 -5.05 119.74 116.56 3cxc s LYS 31 Ca 0.62 -0.45 0.01 0.00 0.02 0.00 0.00 55.97 56.17 3cxc s LYS 31 Cb -0.16 -3.24 0.00 0.00 -0.52 0.00 0.00 37.83 33.92 3cxc s LYS 31 CO 0.56 0.00 -0.18 0.08 -0.92 0.00 0.00 175.35 174.90 3cxc s VAL 32 N 1.08 2.43 0.18 3.17 1.01 -1.26 -5.00 120.40 122.01 3cxc s VAL 32 Ca 0.04 -0.85 -0.22 0.00 0.00 0.00 0.00 61.98 60.95 3cxc s VAL 32 Cb -0.14 -2.01 0.09 0.00 0.00 0.00 0.00 36.38 34.31 3cxc s VAL 32 CO 0.03 0.52 1.59 -0.33 0.00 0.00 0.00 175.10 176.91 3cxc h GLU 33 N 7.41 -0.20 0.00 2.72 3.07 -2.00 -3.47 114.58 122.12 3cxc h GLU 33 Ca -0.34 0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.53 3cxc h GLU 33 Cb 1.18 0.04 0.00 0.00 -0.84 0.00 0.00 28.75 29.14 3cxc h GLU 33 CO 0.57 -0.13 0.00 -3.47 -1.40 0.00 0.00 179.01 174.58 3cxc n ASP 34 N -5.43 0.00 0.00 1.42 -0.08 -1.26 -5.03 116.55 106.17 3cxc n ASP 34 Ca 0.03 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.31 3cxc n ASP 34 Cb 0.35 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.81 3cxc n ASP 34 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3cxc n GLY 35 N -0.41 2.12 3.14 0.27 0.00 -1.26 -4.42 105.19 104.64 3cxc n GLY 35 Ca 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.56 3cxc n GLY 35 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3cxc n ASP 36 N 1.50 0.00 -0.55 1.61 2.03 -1.26 -4.51 116.55 115.38 3cxc n ASP 36 Ca 0.00 0.00 0.42 0.00 0.52 0.00 0.00 54.79 55.73 3cxc n ASP 36 Cb 0.00 0.00 0.65 0.00 -0.72 0.00 0.00 41.12 41.05 3cxc n ASP 36 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 3cxc n VAL 37 N -2.00 -0.05 -1.64 5.18 0.24 -1.26 -4.29 118.33 114.51 3cxc n VAL 37 Ca 0.00 1.28 -0.51 0.00 -2.04 0.00 0.00 64.34 63.08 3cxc n VAL 37 Cb 0.00 -2.13 -0.06 0.00 -1.47 0.00 0.00 33.84 30.18 3cxc n VAL 37 CO 0.00 0.00 0.00 -0.38 -2.14 0.00 0.00 176.83 174.31 3cxc n ILE 38 N -3.75 0.11 -3.82 1.34 2.08 -1.26 -4.94 119.36 109.12 3cxc n ILE 38 Ca 0.36 -0.02 -0.10 0.00 0.56 0.00 0.00 62.75 63.55 3cxc n ILE 38 Cb 1.59 -1.19 -0.05 0.00 -0.75 0.00 0.00 39.64 39.24 3cxc n ILE 38 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3cxc s ALA 39 N 1.47 -0.54 0.22 -1.39 0.00 -1.26 -2.07 121.76 118.20 3cxc s ALA 39 Ca 0.86 -0.48 -0.22 0.00 0.00 0.00 0.00 51.96 52.12 3cxc s ALA 39 Cb -0.87 0.82 0.04 0.00 0.00 0.00 0.00 23.12 23.11 3cxc s ALA 39 CO 0.48 -0.71 0.74 0.20 0.00 0.00 0.00 175.76 176.46 3cxc s GLY 40 N -2.90 -0.24 -0.12 0.00 0.00 -0.44 -1.56 107.32 102.06 3cxc s GLY 40 Ca 0.11 -0.01 -0.01 0.00 0.00 0.00 0.00 44.72 44.81 3cxc s GLY 40 CO -0.03 -0.00 -0.07 -1.59 0.00 0.00 0.00 173.10 171.40 3cxc s THR 41 N -3.76 3.61 0.09 0.90 2.01 0.38 -1.24 115.64 117.63 3cxc s THR 41 Ca 0.09 -0.48 -0.31 0.00 0.31 0.00 0.00 61.69 61.30 3cxc s THR 41 Cb -0.04 -2.52 -0.09 0.00 0.01 0.00 0.00 72.50 69.85 3cxc s THR 41 CO 0.01 0.54 1.75 -0.69 -0.69 0.00 0.00 174.62 175.54 3cxc s VAL 42 N -0.07 2.80 -0.12 3.82 1.01 -0.39 -1.83 120.40 125.62 3cxc s VAL 42 Ca 0.00 0.27 0.16 0.00 0.00 0.00 0.00 61.98 62.41 3cxc s VAL 42 Cb -0.13 -3.17 -0.23 0.00 0.00 0.00 0.00 36.38 32.84 3cxc s VAL 42 CO 0.03 -0.00 0.17 0.52 0.00 0.00 0.00 175.10 175.82 3cxc n VAL 43 N 4.76 0.75 -3.58 2.92 0.31 0.83 -1.67 118.33 122.66 3cxc n VAL 43 Ca 0.17 -0.61 -0.05 0.00 -0.01 0.00 0.00 64.34 63.84 3cxc n VAL 43 Cb 0.39 -0.33 -0.02 0.00 -0.91 0.00 0.00 33.84 32.97 3cxc n VAL 43 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3cxc s ASP 44 N -4.72 -0.18 -0.18 4.52 2.15 -1.16 -4.88 116.67 112.21 3cxc s ASP 44 Ca -0.08 0.01 -0.02 0.00 0.43 0.00 0.00 52.55 52.89 3cxc s ASP 44 Cb 0.07 0.19 -0.01 0.00 -0.30 0.00 0.00 42.92 42.87 3cxc s ASP 44 CO 0.71 -0.30 -0.08 -0.63 -0.17 0.00 0.00 175.17 174.70 3cxc s ILE 45 N -2.47 3.26 0.14 4.11 -1.09 -1.26 0.12 121.20 124.01 3cxc s ILE 45 Ca 0.08 -0.56 0.08 0.00 -2.23 0.00 0.00 60.65 58.03 3cxc s ILE 45 Cb -0.01 -2.43 -0.04 0.00 -1.58 0.00 0.00 42.46 38.40 3cxc s ILE 45 CO -0.05 0.47 -0.20 -1.61 -1.23 0.00 0.00 174.94 172.33 3cxc s GLU 46 N 0.92 1.21 -0.01 2.79 2.02 0.13 -4.94 118.70 120.83 3cxc s GLU 46 Ca -0.01 -1.30 -0.30 0.00 0.02 0.00 0.00 54.97 53.38 3cxc s GLU 46 Cb -0.15 -1.36 -0.03 0.00 0.10 0.00 0.00 34.13 32.69 3cxc s GLU 46 CO 0.00 0.30 1.05 -1.58 0.02 0.00 0.00 175.26 175.05 3cxc s HIS 47 N -1.64 3.55 -0.41 1.61 5.65 -1.26 0.20 115.29 122.97 3cxc s HIS 47 Ca 0.12 1.55 -0.18 0.00 0.25 0.00 0.00 55.06 56.80 3cxc s HIS 47 Cb -0.08 -3.23 0.02 0.00 -1.18 0.00 0.00 32.58 28.11 3cxc s HIS 47 CO 0.06 -0.46 0.46 0.34 -0.65 0.00 0.00 174.74 174.49 3cxc s ASP 48 N 1.07 6.21 0.35 9.88 -1.08 0.32 -4.84 116.67 128.60 3cxc s ASP 48 Ca 0.53 -0.57 0.03 0.00 -0.52 0.00 0.00 52.55 52.03 3cxc s ASP 48 Cb -0.23 -2.23 0.65 0.00 -1.46 0.00 0.00 42.92 39.65 3cxc s ASP 48 CO 0.26 -0.58 2.00 -0.65 0.52 0.00 0.00 175.17 176.72 3cxc h PRO 49 N 8.71 0.82 0.00 4.34 0.11 -1.91 0.17 132.00 144.24 3cxc h PRO 49 Ca -0.27 -0.05 -0.08 0.00 0.11 0.00 0.00 66.00 65.72 3cxc h PRO 49 Cb 1.11 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 32.03 3cxc h PRO 49 CO 0.80 0.54 -0.37 0.00 -0.21 0.00 0.00 178.00 178.76 3cxc h ALA 50 N 1.60 1.09 0.00 -0.75 0.00 -1.93 -3.33 119.26 115.94 3cxc h ALA 50 Ca 0.26 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3cxc h ALA 50 Cb -0.01 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3cxc h ALA 50 CO -0.06 0.46 0.00 0.54 0.00 0.00 0.00 179.25 180.19 3cxc n ARG 51 N -3.66 -0.06 -2.58 0.00 1.74 -0.88 -4.99 116.66 106.23 3cxc n ARG 51 Ca -0.01 -0.68 -0.16 0.00 -0.77 0.00 0.00 57.85 56.23 3cxc n ARG 51 Cb 0.47 -0.96 -0.00 0.00 -1.02 0.00 0.00 32.46 30.95 3cxc n ARG 51 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 3cxc n SER 52 N -0.11 -4.51 -4.15 0.55 7.64 0.54 -4.72 113.62 108.86 3cxc n SER 52 Ca 0.00 0.05 -0.10 0.00 1.01 0.00 0.00 58.87 59.82 3cxc n SER 52 Cb 0.08 -3.78 -0.10 0.00 -1.01 0.00 0.00 64.21 59.40 3cxc n SER 52 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3cxc s ALA 53 N -2.79 0.88 0.15 -0.43 0.00 -1.21 -4.95 121.76 113.42 3cxc s ALA 53 Ca 0.07 -1.28 -0.30 0.00 0.00 0.00 0.00 51.96 50.45 3cxc s ALA 53 Cb -0.03 0.16 -0.08 0.00 0.00 0.00 0.00 23.12 23.17 3cxc s ALA 53 CO 0.08 -0.23 1.23 -1.25 0.00 0.00 0.00 175.76 175.59 3cxc s PRO 54 N -3.64 4.45 0.11 0.00 0.04 -1.26 -0.52 135.00 134.18 3cxc s PRO 54 Ca 0.09 1.90 0.10 0.00 0.04 0.00 0.00 61.00 63.13 3cxc s PRO 54 Cb 0.04 -3.26 -0.04 0.00 0.04 0.00 0.00 34.50 31.29 3cxc s PRO 54 CO -0.05 -0.18 -0.23 0.54 0.04 0.00 0.00 177.00 177.12 3cxc s VAL 55 N 0.31 2.52 -0.17 -0.36 0.11 0.52 -4.14 120.40 119.20 3cxc s VAL 55 Ca 0.56 -1.57 -0.05 0.00 -2.93 0.00 0.00 61.98 57.98 3cxc s VAL 55 Cb -0.33 -2.12 -0.03 0.00 -1.53 0.00 0.00 36.38 32.37 3cxc s VAL 55 CO 0.35 0.14 0.01 0.00 -3.33 0.00 0.00 175.10 172.27 3cxc s ALA 56 N -1.06 3.19 -0.17 1.54 0.00 0.28 0.22 121.76 125.76 3cxc s ALA 56 Ca 0.15 -0.79 -0.26 0.00 0.00 0.00 0.00 51.96 51.06 3cxc s ALA 56 Cb -0.10 -1.73 -0.01 0.00 0.00 0.00 0.00 23.12 21.28 3cxc s ALA 56 CO 0.07 0.19 0.89 0.00 0.00 0.00 0.00 175.76 176.91 3cxc s ALA 57 N 0.38 3.53 -0.03 0.00 0.00 0.12 0.20 121.76 125.95 3cxc s ALA 57 Ca -0.01 0.09 0.06 0.00 0.00 0.00 0.00 51.96 52.10 3cxc s ALA 57 Cb -0.13 -3.31 -0.01 0.00 0.00 0.00 0.00 23.12 19.67 3cxc s ALA 57 CO 0.02 -0.72 -0.21 0.08 0.00 0.00 0.00 175.76 174.93 3cxc s VAL 58 N 2.33 1.68 -0.27 0.00 1.01 -0.63 -0.12 120.40 124.40 3cxc s VAL 58 Ca 0.40 -0.88 -0.07 0.00 0.00 0.00 0.00 61.98 61.43 3cxc s VAL 58 Cb -0.16 -1.41 -0.01 0.00 0.00 0.00 0.00 36.38 34.79 3cxc s VAL 58 CO 0.12 0.47 0.07 -1.61 0.00 0.00 0.00 175.10 174.16 3cxc s GLU 59 N -0.25 3.45 0.49 2.72 2.02 -0.76 -1.21 118.70 125.16 3cxc s GLU 59 Ca 0.02 -0.61 -0.02 0.00 0.02 0.00 0.00 54.97 54.37 3cxc s GLU 59 Cb -0.11 -3.34 -0.00 0.00 0.10 0.00 0.00 34.13 30.79 3cxc s GLU 59 CO 0.01 -0.28 0.74 -0.06 0.02 0.00 0.00 175.26 175.69 3cxc s PHE 60 N 1.57 3.25 0.12 1.61 0.40 0.86 -0.47 117.98 125.33 3cxc s PHE 60 Ca 0.05 0.38 -0.25 0.00 -0.60 0.00 0.00 56.93 56.51 3cxc s PHE 60 Cb -0.16 -2.43 -0.05 0.00 0.51 0.00 0.00 43.02 40.89 3cxc s PHE 60 CO 0.03 -0.48 1.64 0.93 0.70 0.00 0.00 175.22 178.04 3cxc h GLU 61 N 0.23 -0.35 -1.59 0.44 5.08 -1.60 -2.45 114.58 114.34 3cxc h GLU 61 Ca -0.46 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 57.92 3cxc h GLU 61 Cb 1.25 0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.58 3cxc h GLU 61 CO 0.58 -0.23 0.00 -0.40 -1.00 0.00 0.00 179.01 177.96 3cxc n ASP 62 N -5.35 1.57 0.00 1.42 5.75 -1.26 -4.73 116.55 113.95 3cxc n ASP 62 Ca -0.05 -1.04 0.00 0.00 -0.01 0.00 0.00 54.79 53.69 3cxc n ASP 62 Cb 0.27 -0.28 0.00 0.00 -1.03 0.00 0.00 41.12 40.08 3cxc n ASP 62 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3cxc n GLY 63 N 0.90 2.84 3.66 6.12 0.00 -0.92 -4.99 105.19 112.80 3cxc n GLY 63 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 3cxc n GLY 63 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3cxc n ASP 64 N 0.25 4.03 -4.44 1.61 8.00 -1.25 -4.70 116.55 120.04 3cxc n ASP 64 Ca 0.00 0.86 -0.36 0.00 0.71 0.00 0.00 54.79 56.00 3cxc n ASP 64 Cb 0.00 -1.51 -0.13 0.00 -0.02 0.00 0.00 41.12 39.46 3cxc n ASP 64 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 3cxc s ARG 65 N 4.57 3.65 -0.15 -1.24 6.06 -1.26 -0.10 118.95 130.47 3cxc s ARG 65 Ca 0.90 -0.48 -0.13 0.00 -2.50 0.00 0.00 55.73 53.52 3cxc s ARG 65 Cb -0.46 -3.30 0.04 0.00 0.06 0.00 0.00 34.95 31.30 3cxc s ARG 65 CO 0.43 -0.18 0.40 1.03 -2.50 0.00 0.00 175.30 174.48 3cxc s ARG 66 N 1.57 0.45 0.63 5.12 0.52 -0.35 -5.00 118.95 121.89 3cxc s ARG 66 Ca 0.06 0.60 -0.16 0.00 -0.52 0.00 0.00 55.73 55.71 3cxc s ARG 66 Cb -0.15 0.18 -0.02 0.00 0.52 0.00 0.00 34.95 35.49 3cxc s ARG 66 CO 0.03 -0.08 1.12 -0.51 0.02 0.00 0.00 175.30 175.88 3cxc s LEU 67 N 0.43 3.48 0.01 2.53 1.43 -1.26 -1.61 118.68 123.70 3cxc s LEU 67 Ca -0.02 2.05 0.02 0.00 -1.03 0.00 0.00 54.13 55.15 3cxc s LEU 67 Cb -0.04 -4.56 -0.01 0.00 0.03 0.00 0.00 46.19 41.61 3cxc s LEU 67 CO -0.02 -1.53 -0.06 -0.63 0.23 0.00 0.00 176.35 174.35 3cxc s ILE 68 N -2.18 0.40 -0.63 -0.59 1.01 0.53 -4.73 121.20 115.01 3cxc s ILE 68 Ca 0.69 -0.54 -0.26 0.00 0.00 0.00 0.00 60.65 60.53 3cxc s ILE 68 Cb -0.21 -0.40 -0.06 0.00 0.01 0.00 0.00 42.46 41.79 3cxc s ILE 68 CO 0.38 -0.11 2.17 -0.22 0.00 0.00 0.00 174.94 177.16 3cxc s LEU 69 N -0.70 3.26 -0.11 2.97 2.96 -1.26 -0.56 118.68 125.23 3cxc s LEU 69 Ca -0.03 0.46 -0.30 0.00 -0.22 0.00 0.00 54.13 54.04 3cxc s LEU 69 Cb -0.05 -2.52 -0.01 0.00 0.50 0.00 0.00 46.19 44.10 3cxc s LEU 69 CO -0.00 -2.85 1.01 0.00 -1.32 0.00 0.00 176.35 173.19 3cxc s ALA 70 N 11.30 3.43 0.59 5.97 0.00 -1.26 -4.91 121.76 136.88 3cxc s ALA 70 Ca 0.83 0.36 -0.08 0.00 0.00 0.00 0.00 51.96 53.08 3cxc s ALA 70 Cb -0.14 -3.45 -0.01 0.00 0.00 0.00 0.00 23.12 19.52 3cxc s ALA 70 CO 0.18 -0.64 0.94 -2.14 0.00 0.00 0.00 175.76 174.10 3cxc s PRO 71 N 2.10 3.23 0.34 0.00 0.02 -1.26 -2.09 135.00 137.34 3cxc s PRO 71 Ca 0.48 0.32 -0.29 0.00 0.02 0.00 0.00 61.00 61.53 3cxc s PRO 71 Cb -0.18 -2.20 -0.11 0.00 0.02 0.00 0.00 34.50 32.02 3cxc s PRO 71 CO 0.17 -0.61 1.53 -1.91 -0.33 0.00 0.00 177.00 175.85 3cxc n GLU 72 N -2.63 2.66 0.00 5.54 2.13 0.27 -3.19 120.64 125.42 3cxc n GLU 72 Ca 0.04 0.94 0.00 0.00 0.66 0.00 0.00 57.16 58.80 3cxc n GLU 72 Cb 0.56 -2.69 0.00 0.00 0.27 0.00 0.00 31.44 29.58 3cxc n GLU 72 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3cxc n GLY 73 N 1.18 1.73 3.75 8.31 0.00 -1.26 -4.75 105.19 114.15 3cxc n GLY 73 Ca 0.04 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.66 3cxc n GLY 73 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3cxc s VAL 74 N -2.37 3.95 0.31 1.61 1.01 -1.19 -5.04 120.40 118.68 3cxc s VAL 74 Ca 0.00 1.91 0.03 0.00 0.00 0.00 0.00 61.98 63.93 3cxc s VAL 74 Cb 0.00 -4.22 -0.04 0.00 0.00 0.00 0.00 36.38 32.13 3cxc s VAL 74 CO 0.00 0.43 0.17 -0.83 0.00 0.00 0.00 175.10 174.87 3cxc s GLY 75 N -0.92 2.08 0.21 4.51 0.00 -1.26 -5.05 107.32 106.89 3cxc s GLY 75 Ca 0.43 -1.76 -0.30 0.00 0.00 0.00 0.00 44.72 43.09 3cxc s GLY 75 CO 0.34 -1.58 1.30 0.14 0.00 0.00 0.00 173.10 173.31 3cxc s VAL 76 N -3.60 3.18 0.00 1.40 1.01 -1.26 -2.65 120.40 118.48 3cxc s VAL 76 Ca 0.36 0.99 0.00 0.00 0.00 0.00 0.00 61.98 63.33 3cxc s VAL 76 Cb 0.05 -3.63 0.00 0.00 0.00 0.00 0.00 36.38 32.79 3cxc s VAL 76 CO 0.18 0.16 0.00 0.61 0.00 0.00 0.00 175.10 176.05 3cxc n GLY 77 N 2.24 2.97 3.32 4.51 0.00 -0.67 -5.01 105.19 112.56 3cxc n GLY 77 Ca 0.06 -0.84 -0.36 0.00 0.00 0.00 0.00 46.02 44.87 3cxc n GLY 77 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3cxc n ASP 78 N 0.59 -2.76 -4.09 1.61 9.92 -1.08 -4.55 116.55 116.18 3cxc n ASP 78 Ca 0.00 0.50 -0.32 0.00 -0.53 0.00 0.00 54.79 54.44 3cxc n ASP 78 Cb 0.00 -1.05 -0.15 0.00 -0.64 0.00 0.00 41.12 39.28 3cxc n ASP 78 CO 0.00 0.00 0.00 -0.70 0.13 0.00 0.00 177.20 176.63 3cxc s GLU 79 N -2.31 2.59 0.06 -1.24 2.12 -1.26 -1.27 118.70 117.40 3cxc s GLU 79 Ca 0.58 -1.10 -0.02 0.00 0.36 0.00 0.00 54.97 54.79 3cxc s GLU 79 Cb -0.34 -2.73 -0.04 0.00 0.26 0.00 0.00 34.13 31.28 3cxc s GLU 79 CO 0.65 -0.40 0.25 -0.51 -0.54 0.00 0.00 175.26 174.71 3cxc s LEU 80 N 1.19 4.34 0.08 2.70 1.43 -0.38 -4.95 118.68 123.10 3cxc s LEU 80 Ca -0.02 0.38 0.06 0.00 -1.03 0.00 0.00 54.13 53.52 3cxc s LEU 80 Cb -0.17 -2.97 -0.03 0.00 0.03 0.00 0.00 46.19 43.05 3cxc s LEU 80 CO -0.09 0.16 -0.17 -1.10 0.23 0.00 0.00 176.35 175.39 3cxc s GLN 81 N -2.40 0.95 -0.04 1.70 -0.21 -1.26 -1.33 119.66 117.07 3cxc s GLN 81 Ca 0.35 -1.00 -0.02 0.00 0.02 0.00 0.00 55.36 54.71 3cxc s GLN 81 Cb -0.13 -1.04 0.03 0.00 1.00 0.00 0.00 33.01 32.87 3cxc s GLN 81 CO 0.25 0.24 0.07 0.08 -2.12 0.00 0.00 175.29 173.81 3cxc s VAL 82 N -1.18 -0.12 0.00 1.09 1.01 -0.88 -1.43 120.40 118.89 3cxc s VAL 82 Ca 0.01 0.37 0.00 0.00 0.00 0.00 0.00 61.98 62.36 3cxc s VAL 82 Cb -0.10 -0.16 0.00 0.00 0.00 0.00 0.00 36.38 36.13 3cxc s VAL 82 CO 0.03 0.15 0.00 0.61 0.00 0.00 0.00 175.10 175.89 3cxc n GLY 83 N 5.03 1.02 0.35 4.51 0.00 -0.76 -4.12 105.19 111.21 3cxc n GLY 83 Ca -0.09 -1.40 0.02 0.00 0.00 0.00 0.00 46.02 44.55 3cxc n GLY 83 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3cxc h VAL 84 N 2.99 1.15 -0.59 1.61 2.07 -1.87 -2.60 116.25 119.02 3cxc h VAL 84 Ca 0.00 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 67.20 3cxc h VAL 84 Cb 0.00 0.13 0.00 0.00 -1.52 0.00 0.00 31.29 29.90 3cxc h VAL 84 CO 0.00 0.17 0.00 0.47 0.02 0.00 0.00 177.57 178.23 3cxc n ASP 85 N -4.44 5.15 -4.68 0.57 8.00 -1.26 -4.88 116.55 115.00 3cxc n ASP 85 Ca 0.08 -2.69 -0.38 0.00 0.71 0.00 0.00 54.79 52.51 3cxc n ASP 85 Cb 0.08 -0.63 0.05 0.00 -0.02 0.00 0.00 41.12 40.59 3cxc n ASP 85 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3cxc n ALA 86 N 0.82 0.87 -1.08 2.24 0.00 -0.98 -4.94 120.51 117.44 3cxc n ALA 86 Ca 0.26 0.06 -0.31 0.00 0.00 0.00 0.00 53.44 53.45 3cxc n ALA 86 Cb 1.03 -2.24 0.12 0.00 0.00 0.00 0.00 19.45 18.37 3cxc n ALA 86 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 3cxc s GLU 87 N -2.91 1.70 -1.15 0.00 2.12 -1.26 -4.92 118.70 112.29 3cxc s GLU 87 Ca 0.76 1.22 -0.08 0.00 0.36 0.00 0.00 54.97 57.22 3cxc s GLU 87 Cb -0.42 -1.83 0.26 0.00 0.26 0.00 0.00 34.13 32.40 3cxc s GLU 87 CO 0.47 -2.05 1.45 -0.89 -0.54 0.00 0.00 175.26 173.70 3cxc n ILE 88 N -3.80 4.79 -4.21 -3.70 5.41 -1.26 -4.87 119.36 111.72 3cxc n ILE 88 Ca 0.09 -5.33 -0.16 0.00 1.00 0.00 0.00 62.75 58.35 3cxc n ILE 88 Cb 0.53 -2.33 -0.11 0.00 -0.71 0.00 0.00 39.64 37.03 3cxc n ILE 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3cxc s ALA 89 N -1.17 1.32 0.31 -1.39 0.00 -1.26 -5.09 121.76 114.47 3cxc s ALA 89 Ca 0.34 -1.25 -0.28 0.00 0.00 0.00 0.00 51.96 50.78 3cxc s ALA 89 Cb 0.01 -0.03 -0.13 0.00 0.00 0.00 0.00 23.12 22.97 3cxc s ALA 89 CO 0.02 0.03 1.04 -2.30 0.00 0.00 0.00 175.76 174.55 3cxc n PRO 90 N 0.52 1.44 0.00 0.00 -0.02 -1.26 -1.80 135.00 133.88 3cxc n PRO 90 Ca -0.16 0.50 0.00 0.00 -2.02 0.00 0.00 63.50 61.83 3cxc n PRO 90 Cb 0.57 -1.91 0.00 0.00 -0.02 0.00 0.00 33.50 32.14 3cxc n PRO 90 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3cxc n GLY 91 N 1.17 3.32 3.84 -1.23 0.00 -0.58 -4.97 105.19 106.74 3cxc n GLY 91 Ca 0.09 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.78 3cxc n GLY 91 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3cxc s ASN 92 N -0.83 6.84 -0.11 1.61 -0.87 -0.74 -4.68 114.94 116.16 3cxc s ASN 92 Ca 0.00 1.34 0.04 0.00 -1.57 0.00 0.00 52.86 52.66 3cxc s ASN 92 Cb 0.00 -2.39 0.00 0.00 -0.02 0.00 0.00 41.25 38.84 3cxc s ASN 92 CO 0.00 -0.17 -0.23 -0.89 -2.57 0.00 0.00 177.10 173.24 3cxc s THR 93 N -1.90 2.04 0.01 1.60 2.01 -0.51 -1.55 115.64 117.33 3cxc s THR 93 Ca 0.52 -1.00 -0.27 0.00 0.31 0.00 0.00 61.69 61.25 3cxc s THR 93 Cb -0.11 -1.77 0.06 0.00 0.01 0.00 0.00 72.50 70.69 3cxc s THR 93 CO 0.18 0.55 0.61 -1.48 -0.69 0.00 0.00 174.62 173.80 3cxc s LEU 94 N 0.46 -0.44 0.40 4.42 2.34 -0.83 -1.83 118.68 123.19 3cxc s LEU 94 Ca -0.16 0.46 -0.24 0.00 0.06 0.00 0.00 54.13 54.24 3cxc s LEU 94 Cb -0.17 2.39 -0.12 0.00 -0.56 0.00 0.00 46.19 47.73 3cxc s LEU 94 CO 0.06 -0.68 0.88 -0.81 -1.06 0.00 0.00 176.35 174.75 3cxc n PRO 95 N 0.62 1.11 -0.25 1.48 -0.04 -1.26 -2.74 135.00 133.92 3cxc n PRO 95 Ca -0.19 0.40 0.31 0.00 -0.04 0.00 0.00 63.50 63.98 3cxc n PRO 95 Cb 0.59 -1.86 0.72 0.00 -0.04 0.00 0.00 33.50 32.91 3cxc n PRO 95 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 3cxc h LEU 96 N 1.38 0.03 -0.24 1.53 3.38 -0.77 -0.45 115.31 120.16 3cxc h LEU 96 Ca -0.42 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.56 3cxc h LEU 96 Cb 1.36 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.09 3cxc h LEU 96 CO 0.56 0.01 0.14 0.00 0.09 0.00 0.00 178.44 179.23 3cxc h ALA 97 N 1.49 0.30 0.00 1.53 0.00 -1.46 -1.56 119.26 119.57 3cxc h ALA 97 Ca 0.49 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.40 3cxc h ALA 97 Cb 1.93 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.65 3cxc h ALA 97 CO -0.02 -0.25 0.00 0.39 0.00 0.00 0.00 179.25 179.37 3cxc n GLU 98 N -4.95 0.75 -3.42 0.00 -0.58 -0.19 -4.73 120.64 107.51 3cxc n GLU 98 Ca -0.02 0.00 -0.39 0.00 -0.42 0.00 0.00 57.16 56.33 3cxc n GLU 98 Cb 0.04 -1.50 -0.09 0.00 -0.57 0.00 0.00 31.44 29.33 3cxc n GLU 98 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 3cxc s ILE 99 N -2.00 5.20 0.12 -3.67 -1.09 -0.59 -5.02 121.20 114.16 3cxc s ILE 99 Ca 0.36 0.53 -0.31 0.00 -2.23 0.00 0.00 60.65 58.99 3cxc s ILE 99 Cb 0.16 -3.67 -0.10 0.00 -1.58 0.00 0.00 42.46 37.27 3cxc s ILE 99 CO 0.27 0.19 1.77 -2.16 -1.23 0.00 0.00 174.94 173.79 3cxc s PRO 100 N 1.88 4.15 0.62 2.79 0.04 -1.26 -4.93 135.00 138.29 3cxc s PRO 100 Ca 0.14 2.53 -0.17 0.00 0.04 0.00 0.00 61.00 63.54 3cxc s PRO 100 Cb -0.16 -3.52 -0.07 0.00 0.04 0.00 0.00 34.50 30.79 3cxc s PRO 100 CO 0.09 -0.80 0.56 0.39 0.04 0.00 0.00 177.00 177.28 3cxc n GLU 101 N 5.41 0.48 -0.25 4.56 1.02 -1.26 -2.69 120.64 127.91 3cxc n GLU 101 Ca 0.17 0.20 0.00 0.00 -0.02 0.00 0.00 57.16 57.51 3cxc n GLU 101 Cb 0.38 -1.78 0.00 0.00 -0.02 0.00 0.00 31.44 30.02 3cxc n GLU 101 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3cxc n GLY 102 N 1.71 0.98 3.81 0.62 0.00 -0.21 -5.03 105.19 107.07 3cxc n GLY 102 Ca 0.11 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.76 3cxc n GLY 102 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3cxc s VAL 103 N -2.69 5.28 0.14 1.61 1.01 -1.10 -4.94 120.40 119.72 3cxc s VAL 103 Ca 0.00 0.53 -0.31 0.00 0.00 0.00 0.00 61.98 62.20 3cxc s VAL 103 Cb 0.00 -3.58 -0.08 0.00 0.00 0.00 0.00 36.38 32.72 3cxc s VAL 103 CO 0.00 0.53 1.38 -2.84 0.00 0.00 0.00 175.10 174.17 3cxc s PRO 104 N -0.54 4.33 0.02 2.72 0.02 -1.26 -3.47 135.00 136.82 3cxc s PRO 104 Ca 0.18 2.09 0.01 0.00 0.02 0.00 0.00 61.00 63.31 3cxc s PRO 104 Cb -0.14 -3.22 -0.02 0.00 0.02 0.00 0.00 34.50 31.14 3cxc s PRO 104 CO 0.07 -0.40 -0.05 0.08 -0.33 0.00 0.00 177.00 176.37 3cxc s VAL 105 N 0.83 0.30 0.16 3.83 1.01 -1.07 -1.41 120.40 124.05 3cxc s VAL 105 Ca 0.63 -0.80 0.03 0.00 0.00 0.00 0.00 61.98 61.84 3cxc s VAL 105 Cb -0.37 -0.37 -0.05 0.00 0.00 0.00 0.00 36.38 35.59 3cxc s VAL 105 CO 0.33 -0.33 -0.04 0.00 0.00 0.00 0.00 175.10 175.06 3cxc n ASN 107 N -0.21 -4.98 -4.79 0.00 5.15 0.32 -0.89 115.26 109.86 3cxc n ASN 107 Ca -0.08 -0.73 -0.38 0.00 -0.60 0.00 0.00 54.58 52.79 3cxc n ASN 107 Cb 0.62 -4.93 -0.06 0.00 -0.53 0.00 0.00 39.78 34.88 3cxc n ASN 107 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3cxc s VAL 108 N -3.41 4.38 0.23 3.44 1.01 0.01 -4.11 120.40 121.94 3cxc s VAL 108 Ca 0.31 1.63 -0.23 0.00 0.00 0.00 0.00 61.98 63.69 3cxc s VAL 108 Cb -0.05 -4.04 -0.09 0.00 0.00 0.00 0.00 36.38 32.20 3cxc s VAL 108 CO 0.75 0.36 0.79 -1.61 0.00 0.00 0.00 175.10 175.39 3cxc s GLU 109 N -1.57 4.43 -0.08 2.72 2.02 -0.87 0.88 118.70 126.24 3cxc s GLU 109 Ca 0.41 1.07 -0.24 0.00 0.02 0.00 0.00 54.97 56.23 3cxc s GLU 109 Cb -0.21 -2.98 -0.20 0.00 0.10 0.00 0.00 34.13 30.84 3cxc s GLU 109 CO 0.25 0.42 0.89 1.03 0.02 0.00 0.00 175.26 177.87 3cxc h SER 110 N 3.65 -0.06 -4.31 -0.19 0.87 -1.92 -3.45 113.55 108.15 3cxc h SER 110 Ca -0.47 -0.59 -0.65 0.00 -1.23 0.00 0.00 61.79 58.84 3cxc h SER 110 Cb 1.20 0.02 -0.26 0.00 -0.44 0.00 0.00 62.40 62.91 3cxc h SER 110 CO 0.65 0.63 -0.87 -0.94 -0.53 0.00 0.00 176.83 175.78 3cxc s SER 111 N -5.80 2.90 0.16 6.23 1.04 -1.26 -4.66 113.70 112.32 3cxc s SER 111 Ca -0.15 -0.56 -0.33 0.00 0.48 0.00 0.00 55.95 55.39 3cxc s SER 111 Cb -0.00 -0.26 -0.15 0.00 0.10 0.00 0.00 66.02 65.70 3cxc s SER 111 CO 0.58 0.23 1.27 -0.81 0.98 0.00 0.00 173.24 175.48 3cxc n PRO 112 N 1.84 1.38 0.00 4.02 -0.04 -1.26 -1.98 135.00 138.95 3cxc n PRO 112 Ca -0.17 0.49 0.00 0.00 -0.04 0.00 0.00 63.50 63.78 3cxc n PRO 112 Cb 0.52 -2.07 0.00 0.00 -0.04 0.00 0.00 33.50 31.92 3cxc n PRO 112 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3cxc n GLY 113 N 2.24 2.86 0.23 0.55 0.00 -1.26 -4.89 105.19 104.92 3cxc n GLY 113 Ca 0.15 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.33 3cxc n GLY 113 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 3cxc h ASP 114 N 0.00 0.00 0.00 1.61 3.04 -1.81 -3.46 116.42 115.80 3cxc h ASP 114 Ca 0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 3cxc h ASP 114 Cb 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.29 3cxc h ASP 114 CO 0.00 0.00 0.00 0.61 -2.04 0.00 0.00 179.24 177.81 3cxc n GLY 115 N -1.18 0.62 0.00 7.15 0.00 -1.26 -4.93 105.19 105.58 3cxc n GLY 115 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 3cxc n GLY 115 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cxc n GLY 116 N -2.02 1.82 1.25 -0.02 0.00 -1.26 -1.89 105.19 103.07 3cxc n GLY 116 Ca 0.00 -1.43 0.00 0.00 0.00 0.00 0.00 46.02 44.59 3cxc n GLY 116 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3cxc n LYS 117 N 2.79 0.00 -3.02 1.61 4.76 0.25 -4.87 118.16 119.68 3cxc n LYS 117 Ca 0.00 0.00 -0.34 0.00 -2.87 0.00 0.00 58.31 55.10 3cxc n LYS 117 Cb 0.00 -0.22 -0.06 0.00 -1.84 0.00 0.00 35.03 32.90 3cxc n LYS 117 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 3cxc s PHE 118 N -1.70 3.46 -0.42 2.13 0.40 -0.47 -4.62 117.98 116.76 3cxc s PHE 118 Ca 0.00 1.40 -0.25 0.00 -0.60 0.00 0.00 56.93 57.48 3cxc s PHE 118 Cb 0.00 -2.66 0.04 0.00 0.51 0.00 0.00 43.02 40.90 3cxc s PHE 118 CO 0.00 0.12 0.59 0.00 0.70 0.00 0.00 175.22 176.63 3cxc n ALA 119 N -0.07 -2.70 -0.43 5.36 0.00 -1.26 -0.81 120.51 120.60 3cxc n ALA 119 Ca 0.03 0.77 0.00 0.00 0.00 0.00 0.00 53.44 54.24 3cxc n ALA 119 Cb 0.52 -2.97 0.00 0.00 0.00 0.00 0.00 19.45 17.01 3cxc n ALA 119 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3cxc n ARG 120 N -0.17 0.48 -2.24 0.00 1.74 -1.26 0.12 116.66 115.32 3cxc n ARG 120 Ca 0.02 -0.04 -0.28 0.00 -0.77 0.00 0.00 57.85 56.78 3cxc n ARG 120 Cb 0.54 -0.34 0.03 0.00 -1.02 0.00 0.00 32.46 31.66 3cxc n ARG 120 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3cxc s ALA 121 N -0.08 3.19 -0.36 7.54 0.00 -1.26 -4.93 121.76 125.86 3cxc s ALA 121 Ca 0.00 -0.48 -0.39 0.00 0.00 0.00 0.00 51.96 51.08 3cxc s ALA 121 Cb 0.00 -2.77 -0.17 0.00 0.00 0.00 0.00 23.12 20.18 3cxc s ALA 121 CO 0.00 -0.78 1.30 0.43 0.00 0.00 0.00 175.76 176.71 3cxc n SER 122 N -2.65 0.86 0.00 0.00 7.64 -1.26 -1.95 113.62 116.27 3cxc n SER 122 Ca 0.05 1.02 0.00 0.00 1.01 0.00 0.00 58.87 60.94 3cxc n SER 122 Cb 0.56 -0.76 0.00 0.00 -1.01 0.00 0.00 64.21 63.00 3cxc n SER 122 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3cxc n GLY 123 N 3.07 0.06 3.84 0.23 0.00 -0.70 -4.53 105.19 107.17 3cxc n GLY 123 Ca 0.25 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.98 3cxc n GLY 123 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3cxc s VAL 124 N -1.15 1.96 -0.18 1.61 -7.23 -0.82 -4.63 120.40 109.95 3cxc s VAL 124 Ca 0.00 0.00 -0.31 0.00 -1.81 0.00 0.00 61.98 59.86 3cxc s VAL 124 Cb 0.00 -2.87 0.14 0.00 0.56 0.00 0.00 36.38 34.21 3cxc s VAL 124 CO 0.00 0.00 1.11 0.54 -0.31 0.00 0.00 175.10 176.44 3cxc s ASN 125 N -4.45 -0.25 0.69 4.85 2.20 -1.26 -2.00 114.94 114.72 3cxc s ASN 125 Ca 0.67 0.19 0.01 0.00 -0.94 0.00 0.00 52.86 52.80 3cxc s ASN 125 Cb -0.10 0.22 0.12 0.00 -2.00 0.00 0.00 41.25 39.49 3cxc s ASN 125 CO 0.52 -0.28 0.95 0.00 -2.94 0.00 0.00 177.10 175.35 3cxc s ALA 126 N -1.58 3.92 -0.22 3.54 0.00 0.46 -3.99 121.76 123.89 3cxc s ALA 126 Ca 0.04 -1.81 -0.04 0.00 0.00 0.00 0.00 51.96 50.15 3cxc s ALA 126 Cb -0.01 -1.89 0.09 0.00 0.00 0.00 0.00 23.12 21.31 3cxc s ALA 126 CO -0.03 -1.32 0.16 -1.14 0.00 0.00 0.00 175.76 173.43 3cxc s GLN 127 N -5.04 0.16 -0.25 0.00 2.00 -0.17 -2.59 119.66 113.77 3cxc s GLN 127 Ca 0.65 -0.09 -0.29 0.00 -2.00 0.00 0.00 55.36 53.63 3cxc s GLN 127 Cb -0.05 -1.38 -0.02 0.00 0.80 0.00 0.00 33.01 32.36 3cxc s GLN 127 CO 0.43 -0.78 1.51 -1.17 -0.50 0.00 0.00 175.29 174.78 3cxc s LEU 128 N 2.21 3.88 -0.22 3.68 2.96 -1.23 -0.45 118.68 129.51 3cxc s LEU 128 Ca 0.06 1.46 -0.14 0.00 -0.22 0.00 0.00 54.13 55.29 3cxc s LEU 128 Cb -0.16 -3.53 -0.09 0.00 0.50 0.00 0.00 46.19 42.91 3cxc s LEU 128 CO -0.18 -1.21 -0.32 0.18 -1.32 0.00 0.00 176.35 173.50 3cxc n LEU 129 N 8.21 1.79 -4.40 -0.68 4.77 -0.27 -1.04 117.00 125.37 3cxc n LEU 129 Ca 0.17 0.31 -0.29 0.00 -0.03 0.00 0.00 56.01 56.17 3cxc n LEU 129 Cb 0.46 -0.72 -0.13 0.00 -2.33 0.00 0.00 43.42 40.69 3cxc n LEU 129 CO 0.64 0.27 -0.56 -0.89 -1.33 0.00 0.00 177.39 175.52 3cxc s THR 130 N -2.56 2.31 0.47 -5.08 2.01 -1.13 -4.66 115.64 107.00 3cxc s THR 130 Ca -0.32 -1.75 0.02 0.00 0.31 0.00 0.00 61.69 59.95 3cxc s THR 130 Cb 0.11 -2.03 0.02 0.00 0.01 0.00 0.00 72.50 70.61 3cxc s THR 130 CO 0.42 0.08 0.18 1.41 -0.69 0.00 0.00 174.62 176.02 3cxc n HIS 131 N 0.87 0.20 0.00 4.92 8.25 -1.26 -1.93 115.22 126.27 3cxc n HIS 131 Ca -0.18 -2.17 0.00 0.00 -0.26 0.00 0.00 57.72 55.12 3cxc n HIS 131 Cb 0.53 -0.35 0.00 0.00 1.12 0.00 0.00 29.99 31.29 3cxc n HIS 131 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 3cxc n ASP 132 N -1.56 0.00 0.19 0.41 -0.08 -1.16 -4.83 116.55 109.53 3cxc n ASP 132 Ca -0.11 0.00 0.08 0.00 -1.51 0.00 0.00 54.79 53.26 3cxc n ASP 132 Cb 0.57 0.00 0.22 0.00 2.34 0.00 0.00 41.12 44.24 3cxc n ASP 132 CO 0.00 0.00 0.00 0.03 0.12 0.00 0.00 177.20 177.35 3cxc h ARG 133 N 0.00 0.00 0.00 -0.67 3.08 -2.02 -3.39 114.38 111.38 3cxc h ARG 133 Ca 0.00 0.00 -0.19 0.00 0.07 0.00 0.00 59.98 59.86 3cxc h ARG 133 Cb 0.00 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.02 3cxc h ARG 133 CO 0.00 0.24 -1.52 0.09 -1.07 0.00 0.00 179.97 177.71 3cxc n ASN 134 N -3.21 1.45 -4.50 7.04 3.02 -1.26 -4.90 115.26 112.91 3cxc n ASN 134 Ca 0.02 0.24 -0.31 0.00 -0.03 0.00 0.00 54.58 54.51 3cxc n ASN 134 Cb 0.57 -0.57 -0.12 0.00 -0.61 0.00 0.00 39.78 39.05 3cxc n ASN 134 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3cxc s VAL 135 N -2.45 3.03 -0.28 2.41 0.11 -1.26 -4.13 120.40 117.83 3cxc s VAL 135 Ca -0.24 -1.15 0.03 0.00 -2.93 0.00 0.00 61.98 57.69 3cxc s VAL 135 Cb 0.07 -2.32 0.07 0.00 -1.53 0.00 0.00 36.38 32.68 3cxc s VAL 135 CO 0.31 0.29 -0.05 0.00 -3.33 0.00 0.00 175.10 172.33 3cxc s ALA 136 N -1.00 2.56 -0.19 1.54 0.00 0.30 -2.98 121.76 121.99 3cxc s ALA 136 Ca 0.16 -1.93 -0.26 0.00 0.00 0.00 0.00 51.96 49.93 3cxc s ALA 136 Cb -0.11 -1.68 -0.01 0.00 0.00 0.00 0.00 23.12 21.32 3cxc s ALA 136 CO 0.07 -1.35 0.86 0.08 0.00 0.00 0.00 175.76 175.42 3cxc s VAL 137 N 1.09 4.84 -0.02 0.00 1.01 -0.81 0.39 120.40 126.91 3cxc s VAL 137 Ca -0.02 1.67 0.07 0.00 0.00 0.00 0.00 61.98 63.71 3cxc s VAL 137 Cb -0.19 -4.16 -0.02 0.00 0.00 0.00 0.00 36.38 32.01 3cxc s VAL 137 CO -0.07 -0.03 -0.24 -0.69 0.00 0.00 0.00 175.10 174.08 3cxc s VAL 138 N 2.46 1.90 -0.37 2.92 1.01 0.13 -1.12 120.40 127.32 3cxc s VAL 138 Ca 0.38 -1.04 -0.13 0.00 0.00 0.00 0.00 61.98 61.20 3cxc s VAL 138 Cb -0.16 -1.58 0.01 0.00 0.00 0.00 0.00 36.38 34.65 3cxc s VAL 138 CO 0.10 0.53 0.25 -0.75 0.00 0.00 0.00 175.10 175.23 3cxc s LYS 139 N -0.58 3.11 0.59 2.72 2.20 0.40 0.10 119.74 128.28 3cxc s LYS 139 Ca 0.09 -0.91 -0.13 0.00 -0.36 0.00 0.00 55.97 54.66 3cxc s LYS 139 Cb -0.09 -3.83 -0.05 0.00 -1.51 0.00 0.00 37.83 32.35 3cxc s LYS 139 CO -0.01 -0.62 1.02 -0.51 -0.36 0.00 0.00 175.35 174.87 3cxc s LEU 140 N 1.65 3.38 0.62 5.43 1.43 0.20 -1.00 118.68 130.38 3cxc s LEU 140 Ca 0.05 1.54 0.26 0.00 -1.03 0.00 0.00 54.13 54.95 3cxc s LEU 140 Cb -0.18 -4.49 1.26 0.00 0.03 0.00 0.00 46.19 42.81 3cxc s LEU 140 CO 0.09 -0.89 1.70 1.55 0.23 0.00 0.00 176.35 179.03 3cxc h PRO 141 N 0.11 0.00 0.00 1.29 0.13 -1.89 0.91 132.00 132.56 3cxc h PRO 141 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 3cxc h PRO 141 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 3cxc h PRO 141 CO 0.61 0.00 0.00 0.66 -0.23 0.00 0.00 178.00 179.04 3cxc h SER 142 N 0.00 0.00 0.00 1.44 4.64 -1.94 -3.46 113.55 114.23 3cxc h SER 142 Ca 0.20 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.52 3cxc h SER 142 Cb 1.50 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.59 3cxc h SER 142 CO -0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 3cxc n GLY 143 N 0.72 0.57 3.76 -0.77 0.00 0.32 -5.08 105.19 104.71 3cxc n GLY 143 Ca 0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.65 3cxc n GLY 143 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3cxc s GLU 144 N -0.70 4.56 -0.48 1.61 2.12 -1.22 -4.75 118.70 119.84 3cxc s GLU 144 Ca 0.00 1.83 -0.21 0.00 0.36 0.00 0.00 54.97 56.95 3cxc s GLU 144 Cb 0.00 -3.12 0.04 0.00 0.26 0.00 0.00 34.13 31.31 3cxc s GLU 144 CO 0.00 0.14 0.68 -1.64 -0.54 0.00 0.00 175.26 173.90 3cxc s MET 145 N -1.57 3.23 -0.17 4.30 -1.94 -1.26 -0.63 119.30 121.26 3cxc s MET 145 Ca 0.46 -0.55 -0.11 0.00 -1.71 0.00 0.00 55.69 53.78 3cxc s MET 145 Cb -0.32 -4.02 -0.05 0.00 2.01 0.00 0.00 34.83 32.45 3cxc s MET 145 CO 0.41 -1.16 0.19 0.21 -0.01 0.00 0.00 175.02 174.66 3cxc s LYS 146 N 2.92 4.09 -0.12 2.03 2.47 0.28 -4.92 119.74 126.49 3cxc s LYS 146 Ca 0.21 -0.10 -0.18 0.00 -1.56 0.00 0.00 55.97 54.34 3cxc s LYS 146 Cb -0.16 -3.38 -0.04 0.00 -1.46 0.00 0.00 37.83 32.79 3cxc s LYS 146 CO 0.16 0.37 0.47 1.03 0.16 0.00 0.00 175.35 177.54 3cxc s ARG 147 N 0.13 4.33 0.04 4.03 0.52 -1.26 0.17 118.95 126.91 3cxc s ARG 147 Ca 0.12 0.43 0.02 0.00 -0.52 0.00 0.00 55.73 55.78 3cxc s ARG 147 Cb -0.12 -3.43 -0.02 0.00 0.52 0.00 0.00 34.95 31.89 3cxc s ARG 147 CO 0.01 0.17 -0.08 -0.51 0.02 0.00 0.00 175.30 174.91 3cxc s LEU 148 N 0.60 2.25 0.09 2.53 1.43 0.16 -4.91 118.68 120.83 3cxc s LEU 148 Ca 0.25 -0.54 -0.31 0.00 -1.03 0.00 0.00 54.13 52.51 3cxc s LEU 148 Cb -0.15 -0.17 -0.10 0.00 0.03 0.00 0.00 46.19 45.80 3cxc s LEU 148 CO 0.10 -0.19 1.87 -0.62 0.23 0.00 0.00 176.35 177.74 3cxc s ASP 149 N -1.53 6.44 0.00 2.29 -1.08 -1.26 0.11 116.67 121.64 3cxc s ASP 149 Ca -0.09 2.71 0.00 0.00 -0.52 0.00 0.00 52.55 54.65 3cxc s ASP 149 Cb -0.10 -2.55 0.00 0.00 -1.46 0.00 0.00 42.92 38.81 3cxc s ASP 149 CO 0.00 -1.02 0.97 -0.81 0.52 0.00 0.00 175.17 174.84 3cxc n PRO 150 N 6.34 0.00 0.19 4.34 -0.04 -1.26 -1.09 135.00 143.48 3cxc n PRO 150 Ca 0.18 0.47 0.12 0.00 -0.04 0.00 0.00 63.50 64.24 3cxc n PRO 150 Cb 0.39 -1.52 0.15 0.00 -0.04 0.00 0.00 33.50 32.49 3cxc n PRO 150 CO 0.00 0.00 0.00 0.37 -0.04 0.00 0.00 175.50 175.83 3cxc h GLN 151 N 0.00 0.00 -6.46 0.54 5.75 -1.93 -0.97 115.11 112.04 3cxc h GLN 151 Ca 0.00 0.00 -0.56 0.00 -0.15 0.00 0.00 58.65 57.94 3cxc h GLN 151 Cb 0.03 0.00 0.04 0.00 1.07 0.00 0.00 27.48 28.62 3cxc h GLN 151 CO 0.00 0.00 1.05 0.00 -2.65 0.00 0.00 178.83 177.23 3cxc s ARG 153 N 2.64 3.69 0.28 0.00 0.52 -1.26 -0.82 118.95 124.00 3cxc s ARG 153 Ca 0.83 0.70 -0.18 0.00 -0.52 0.00 0.00 55.73 56.56 3cxc s ARG 153 Cb -0.56 -2.16 0.02 0.00 0.52 0.00 0.00 34.95 32.77 3cxc s ARG 153 CO 0.40 -0.41 0.66 0.00 0.02 0.00 0.00 175.30 175.97 3cxc s ALA 154 N -2.92 -0.88 -0.08 2.13 0.00 -1.11 -2.04 121.76 116.86 3cxc s ALA 154 Ca 0.55 -0.52 0.03 0.00 0.00 0.00 0.00 51.96 52.01 3cxc s ALA 154 Cb -0.11 0.90 -0.02 0.00 0.00 0.00 0.00 23.12 23.90 3cxc s ALA 154 CO 0.46 -0.98 -0.15 0.99 0.00 0.00 0.00 175.76 176.08 3cxc s THR 155 N -3.80 2.97 0.17 0.00 2.01 -0.07 -1.97 115.64 114.94 3cxc s THR 155 Ca 0.15 -0.74 -0.30 0.00 0.31 0.00 0.00 61.69 61.11 3cxc s THR 155 Cb -0.04 -2.18 -0.08 0.00 0.01 0.00 0.00 72.50 70.21 3cxc s THR 155 CO 0.08 0.57 1.17 -0.63 -0.69 0.00 0.00 174.62 175.12 3cxc s ILE 156 N -0.32 3.72 0.00 1.82 1.01 -0.59 0.10 121.20 126.93 3cxc s ILE 156 Ca 0.03 1.43 0.00 0.00 0.00 0.00 0.00 60.65 62.11 3cxc s ILE 156 Cb -0.13 -3.91 0.00 0.00 0.01 0.00 0.00 42.46 38.43 3cxc s ILE 156 CO 0.02 0.22 0.00 0.61 0.00 0.00 0.00 174.94 175.79 3cxc n GLY 157 N 2.27 -0.34 3.38 6.18 0.00 -0.50 -1.53 105.19 114.65 3cxc n GLY 157 Ca 0.04 -2.27 -0.32 0.00 0.00 0.00 0.00 46.02 43.48 3cxc n GLY 157 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3cxc s VAL 158 N -0.57 2.55 0.37 1.61 -7.23 -1.26 -3.01 120.40 112.85 3cxc s VAL 158 Ca 0.00 -0.91 -0.24 0.00 -1.81 0.00 0.00 61.98 59.02 3cxc s VAL 158 Cb 0.00 -1.95 -0.14 0.00 0.56 0.00 0.00 36.38 34.85 3cxc s VAL 158 CO 0.00 0.58 0.55 0.52 -0.31 0.00 0.00 175.10 176.44 3cxc n VAL 159 N 2.52 1.71 -1.23 1.32 0.31 -0.85 0.93 118.33 123.05 3cxc n VAL 159 Ca -0.17 -0.50 -0.30 0.00 -0.01 0.00 0.00 64.34 63.36 3cxc n VAL 159 Cb 0.52 -0.46 0.22 0.00 -0.91 0.00 0.00 33.84 33.20 3cxc n VAL 159 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 3cxc s GLY 160 N -0.91 1.61 0.00 2.92 0.00 -0.89 -2.58 107.32 107.47 3cxc s GLY 160 Ca 0.62 -0.91 0.00 0.00 0.00 0.00 0.00 44.72 44.43 3cxc s GLY 160 CO 0.59 -0.08 0.00 0.61 0.00 0.00 0.00 173.10 174.22 3cxc n GLY 161 N -1.40 2.17 3.40 0.20 0.00 -1.26 -1.72 105.19 106.58 3cxc n GLY 161 Ca 0.12 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.64 3cxc n GLY 161 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cxc n GLY 162 N -2.00 -1.45 0.25 -0.02 0.00 -1.26 -2.79 105.19 97.92 3cxc n GLY 162 Ca 0.00 0.42 0.00 0.00 0.00 0.00 0.00 46.02 46.44 3cxc n GLY 162 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cxc n GLY 163 N 1.89 0.35 0.40 -0.02 0.00 -1.26 -4.87 105.19 101.67 3cxc n GLY 163 Ca 0.18 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.39 3cxc n GLY 163 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3cxc h ARG 164 N 4.17 0.39 0.00 1.61 2.43 -1.88 -0.19 114.38 120.91 3cxc h ARG 164 Ca 0.00 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 3cxc h ARG 164 Cb 0.00 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.46 3cxc h ARG 164 CO 0.00 0.26 0.00 2.41 -1.51 0.00 0.00 179.97 181.13 3cxc n THR 165 N -4.50 0.61 0.10 0.20 -1.04 -1.26 -3.54 114.28 104.85 3cxc n THR 165 Ca 0.18 0.15 -0.02 0.00 -2.04 0.00 0.00 64.05 62.33 3cxc n THR 165 Cb 0.67 -0.84 -0.01 0.00 -1.82 0.00 0.00 70.33 68.33 3cxc n THR 165 CO 0.00 0.00 0.00 0.44 -0.64 0.00 0.00 175.07 174.87 3cxc h ASP 166 N 0.00 0.00 -3.34 8.00 3.32 -1.44 -3.44 116.42 119.52 3cxc h ASP 166 Ca 0.00 0.00 -0.59 0.00 0.02 0.00 0.00 57.03 56.46 3cxc h ASP 166 Cb 0.26 0.00 -0.10 0.00 0.22 0.00 0.00 39.33 39.70 3cxc h ASP 166 CO 0.00 0.74 -0.29 -0.75 -1.72 0.00 0.00 179.24 177.22 3cxc s LYS 167 N -2.93 4.25 0.53 3.56 2.20 -1.23 -5.07 119.74 121.06 3cxc s LYS 167 Ca 0.02 0.14 -0.20 0.00 -0.36 0.00 0.00 55.97 55.57 3cxc s LYS 167 Cb 0.09 -3.45 -0.06 0.00 -1.51 0.00 0.00 37.83 32.90 3cxc s LYS 167 CO 0.78 0.18 1.12 -1.25 -0.36 0.00 0.00 175.35 175.82 3cxc s PRO 168 N 0.63 3.42 0.44 4.03 0.04 -1.26 -4.91 135.00 137.39 3cxc s PRO 168 Ca 0.18 1.60 0.21 0.00 0.04 0.00 0.00 61.00 63.02 3cxc s PRO 168 Cb -0.13 -2.03 1.04 0.00 0.04 0.00 0.00 34.50 33.41 3cxc s PRO 168 CO 0.05 -0.79 1.91 0.74 0.04 0.00 0.00 177.00 178.95 3cxc h PHE 169 N 1.28 0.00 0.00 0.56 -1.00 -1.97 -3.46 116.94 112.35 3cxc h PHE 169 Ca -0.50 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.28 3cxc h PHE 169 Cb 1.26 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.82 3cxc h PHE 169 CO 0.52 0.24 0.00 0.28 -1.61 0.00 0.00 178.31 177.74 3cxc n VAL 170 N -3.73 0.00 -4.12 -0.55 0.31 -1.26 -4.64 118.33 104.34 3cxc n VAL 170 Ca -0.01 0.00 -0.12 0.00 -0.01 0.00 0.00 64.34 64.20 3cxc n VAL 170 Cb 0.35 0.00 -0.11 0.00 -0.91 0.00 0.00 33.84 33.18 3cxc n VAL 170 CO 0.00 0.00 0.00 -1.59 -1.32 0.00 0.00 176.83 173.92 3cxc s LYS 171 N 0.00 0.69 0.24 5.55 -2.85 -1.26 -5.04 119.74 117.07 3cxc s LYS 171 Ca 0.00 -1.05 -0.06 0.00 -1.00 0.00 0.00 55.97 53.86 3cxc s LYS 171 Cb 0.00 -0.28 0.43 0.00 -2.06 0.00 0.00 37.83 35.92 3cxc s LYS 171 CO 0.00 0.02 1.68 0.00 0.10 0.00 0.00 175.35 177.15 3cxc h ALA 172 N 3.75 0.88 -0.92 0.59 0.00 -2.01 -0.54 119.26 121.01 3cxc h ALA 172 Ca -0.36 0.17 0.25 0.00 0.00 0.00 0.00 54.91 54.98 3cxc h ALA 172 Cb 1.18 0.25 -0.14 0.00 0.00 0.00 0.00 17.79 19.09 3cxc h ALA 172 CO 0.52 -0.35 0.40 0.78 0.00 0.00 0.00 179.25 180.60 3cxc h GLY 173 N 0.24 1.63 1.41 0.00 0.00 -1.96 0.94 103.07 105.33 3cxc h GLY 173 Ca 0.40 -0.15 -0.22 0.00 0.00 0.00 0.00 47.33 47.35 3cxc h GLY 173 CO -0.52 -0.35 -0.86 3.43 0.00 0.00 0.00 176.54 178.24 3cxc h ASN 174 N 0.34 0.69 -0.11 0.19 2.35 -1.36 -2.75 115.58 114.93 3cxc h ASN 174 Ca 0.60 -0.50 0.00 0.00 -0.55 0.00 0.00 56.30 55.86 3cxc h ASN 174 Cb 1.23 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 39.39 3cxc h ASN 174 CO -0.58 1.28 0.07 0.50 -1.65 0.00 0.00 177.43 177.06 3cxc h LYS 175 N 0.35 0.15 -0.80 0.81 3.11 -1.15 -2.70 116.57 116.33 3cxc h LYS 175 Ca -0.07 -0.01 0.08 0.00 -2.81 0.00 0.00 60.65 57.84 3cxc h LYS 175 Cb 1.49 -0.03 -0.11 0.00 -1.00 0.00 0.00 32.23 32.57 3cxc h LYS 175 CO 0.16 0.10 -0.56 1.25 -2.81 0.00 0.00 179.45 177.58 3cxc h HIS 176 N 0.15 -1.78 -0.46 1.91 2.76 -0.80 0.27 115.15 117.21 3cxc h HIS 176 Ca 0.04 0.11 0.05 0.00 -2.20 0.00 0.00 60.37 58.38 3cxc h HIS 176 Cb -0.02 0.88 -0.03 0.00 1.55 0.00 0.00 27.41 29.80 3cxc h HIS 176 CO -0.07 -0.41 0.31 0.45 -1.30 0.00 0.00 177.93 176.90 3cxc h HIS 177 N -0.13 0.40 0.04 5.26 3.86 -1.31 -1.41 115.15 121.86 3cxc h HIS 177 Ca 0.14 0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.36 3cxc h HIS 177 Cb 0.48 -0.13 0.00 0.00 1.06 0.00 0.00 27.41 28.82 3cxc h HIS 177 CO -0.92 0.22 -0.02 -0.22 0.86 0.00 0.00 177.93 177.86 3cxc h LYS 178 N 0.41 -0.05 -1.01 2.45 3.64 -0.69 -3.27 116.57 118.05 3cxc h LYS 178 Ca 0.20 0.00 0.23 0.00 -1.27 0.00 0.00 60.65 59.81 3cxc h LYS 178 Cb 0.26 0.01 -0.12 0.00 -0.41 0.00 0.00 32.23 31.97 3cxc h LYS 178 CO -0.05 0.58 0.60 0.52 -2.27 0.00 0.00 179.45 178.83 3cxc h MET 179 N -0.74 0.61 0.00 1.90 2.86 -0.04 0.33 114.93 119.85 3cxc h MET 179 Ca -0.01 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 3cxc h MET 179 Cb 0.65 -0.14 0.00 0.00 0.06 0.00 0.00 31.60 32.17 3cxc h MET 179 CO 0.01 0.40 0.00 -0.22 1.06 0.00 0.00 176.91 178.16 3cxc h LYS 180 N 0.62 0.00 -0.62 1.72 3.64 -1.32 -0.97 116.57 119.65 3cxc h LYS 180 Ca 0.63 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 60.01 3cxc h LYS 180 Cb 1.15 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.97 3cxc h LYS 180 CO -0.45 0.00 0.00 0.00 -2.27 0.00 0.00 179.45 176.73 3cxc n ALA 181 N -1.81 3.24 -2.20 5.00 0.00 0.12 -4.78 120.51 120.07 3cxc n ALA 181 Ca -0.01 -1.69 -0.12 0.00 0.00 0.00 0.00 53.44 51.62 3cxc n ALA 181 Cb 0.09 -1.01 -0.10 0.00 0.00 0.00 0.00 19.45 18.42 3cxc n ALA 181 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3cxc s ARG 182 N -2.06 1.11 -1.24 0.00 1.81 -0.37 -4.72 118.95 113.48 3cxc s ARG 182 Ca 0.51 -1.56 -0.12 0.00 -1.72 0.00 0.00 55.73 52.84 3cxc s ARG 182 Cb 0.35 0.09 0.17 0.00 -0.45 0.00 0.00 34.95 35.10 3cxc s ARG 182 CO 0.22 -0.28 1.59 0.41 -0.68 0.00 0.00 175.30 176.57 3cxc n GLY 183 N -0.22 3.84 3.33 -3.53 0.00 -1.26 -4.58 105.19 102.76 3cxc n GLY 183 Ca -0.03 -2.03 -0.11 0.00 0.00 0.00 0.00 46.02 43.85 3cxc n GLY 183 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3cxc s THR 184 N 1.19 -0.02 0.03 2.61 2.01 -1.26 -4.83 115.64 115.37 3cxc s THR 184 Ca 0.42 0.06 -0.30 0.00 0.31 0.00 0.00 61.69 62.18 3cxc s THR 184 Cb 0.02 -0.66 -0.04 0.00 0.01 0.00 0.00 72.50 71.83 3cxc s THR 184 CO 0.00 0.02 0.97 -0.75 -0.69 0.00 0.00 174.62 174.18 3cxc s LYS 185 N 1.10 4.59 -0.11 4.92 2.47 -1.26 -4.90 119.74 126.55 3cxc s LYS 185 Ca -0.07 1.42 -0.16 0.00 -1.56 0.00 0.00 55.97 55.60 3cxc s LYS 185 Cb -0.07 -3.44 0.04 0.00 -1.46 0.00 0.00 37.83 32.90 3cxc s LYS 185 CO -0.10 0.02 0.41 -0.46 0.16 0.00 0.00 175.35 175.38 3cxc s TRP 186 N 0.74 -0.40 0.00 4.03 -0.00 -1.26 -4.75 118.94 117.31 3cxc s TRP 186 Ca 0.50 0.89 0.00 0.00 -0.00 0.00 0.00 56.10 57.49 3cxc s TRP 186 Cb -0.22 0.16 0.00 0.00 -0.00 0.00 0.00 33.47 33.41 3cxc s TRP 186 CO 0.28 -0.30 0.00 -0.35 -0.00 0.00 0.00 176.95 176.59 3cxc n PRO 187 N 2.28 -0.28 -4.11 5.86 -0.04 -1.26 -5.10 135.00 132.36 3cxc n PRO 187 Ca -0.16 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.03 3cxc n PRO 187 Cb 0.57 0.00 -0.17 0.00 -0.04 0.00 0.00 33.50 33.86 3cxc n PRO 187 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 3cxc s ASN 188 N -1.58 2.21 -0.12 3.54 0.01 -1.26 -5.12 114.94 112.61 3cxc s ASN 188 Ca 0.00 -0.34 -0.12 0.00 -0.71 0.00 0.00 52.86 51.69 3cxc s ASN 188 Cb 0.00 -0.92 -0.05 0.00 0.41 0.00 0.00 41.25 40.69 3cxc s ASN 188 CO 0.00 -0.07 0.26 -0.69 -1.51 0.00 0.00 177.10 175.09 3cxc s VAL 189 N 1.39 5.32 0.14 1.60 1.01 -1.26 -5.06 120.40 123.54 3cxc s VAL 189 Ca -0.00 0.47 -0.30 0.00 0.00 0.00 0.00 61.98 62.15 3cxc s VAL 189 Cb -0.13 -3.57 -0.07 0.00 0.00 0.00 0.00 36.38 32.61 3cxc s VAL 189 CO -0.06 0.50 1.25 -0.13 0.00 0.00 0.00 175.10 176.66 3cxc s ARG 190 N -0.28 4.43 0.26 2.72 0.52 -1.26 -4.90 118.95 120.43 3cxc s ARG 190 Ca 0.17 1.91 -0.02 0.00 -0.52 0.00 0.00 55.73 57.27 3cxc s ARG 190 Cb -0.13 -3.26 0.57 0.00 0.52 0.00 0.00 34.95 32.65 3cxc s ARG 190 CO 0.05 -0.23 1.68 0.78 0.02 0.00 0.00 175.30 177.60 3cxc h GLY 191 N 5.99 1.19 1.44 -3.53 0.00 -1.97 0.48 103.07 106.68 3cxc h GLY 191 Ca -0.43 -0.05 0.00 0.00 0.00 0.00 0.00 47.33 46.84 3cxc h GLY 191 CO 0.79 -0.26 0.03 -0.62 0.00 0.00 0.00 176.54 176.48 3cxc n VAL 192 N -5.16 1.06 0.82 4.60 0.31 -1.26 -0.05 118.33 118.64 3cxc n VAL 192 Ca 0.17 0.29 0.08 0.00 -0.01 0.00 0.00 64.34 64.88 3cxc n VAL 192 Cb 0.55 -1.29 -0.09 0.00 -0.91 0.00 0.00 33.84 32.10 3cxc n VAL 192 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3cxc n ALA 193 N -1.25 4.14 -2.23 3.52 0.00 0.17 -4.56 120.51 120.30 3cxc n ALA 193 Ca 0.00 -0.50 -0.18 0.00 0.00 0.00 0.00 53.44 52.76 3cxc n ALA 193 Cb 0.03 -0.63 0.12 0.00 0.00 0.00 0.00 19.45 18.96 3cxc n ALA 193 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 3cxc n MET 194 N -1.23 -0.36 -3.02 0.00 2.81 0.92 -4.94 117.12 111.30 3cxc n MET 194 Ca 0.04 -1.96 -0.26 0.00 -1.81 0.00 0.00 57.70 53.71 3cxc n MET 194 Cb 0.29 -0.74 -0.01 0.00 -0.71 0.00 0.00 33.22 32.05 3cxc n MET 194 CO 0.00 0.00 0.00 -0.80 1.51 0.00 0.00 175.97 176.68 3cxc s ASN 195 N -4.46 6.32 0.23 7.83 0.01 -1.26 -1.46 114.94 122.15 3cxc s ASN 195 Ca 0.55 0.74 -0.09 0.00 -0.71 0.00 0.00 52.86 53.35 3cxc s ASN 195 Cb -0.02 -2.16 0.37 0.00 0.41 0.00 0.00 41.25 39.85 3cxc s ASN 195 CO 0.37 -0.41 1.63 0.00 -1.51 0.00 0.00 177.10 177.19 3cxc h ALA 196 N 0.70 0.67 -0.44 0.60 0.00 -1.80 0.77 119.26 119.77 3cxc h ALA 196 Ca -0.48 0.24 0.13 0.00 0.00 0.00 0.00 54.91 54.80 3cxc h ALA 196 Cb 1.21 0.43 -0.02 0.00 0.00 0.00 0.00 17.79 19.41 3cxc h ALA 196 CO 0.62 -0.42 0.34 -0.24 0.00 0.00 0.00 179.25 179.55 3cxc h VAL 197 N 0.08 0.68 0.00 0.00 3.04 -1.93 -2.91 116.25 115.20 3cxc h VAL 197 Ca 0.38 0.00 -0.15 0.00 -1.01 0.00 0.00 66.70 65.92 3cxc h VAL 197 Cb 0.64 0.76 -0.03 0.00 -2.01 0.00 0.00 31.29 30.65 3cxc h VAL 197 CO -0.65 0.00 -1.43 0.47 -1.01 0.00 0.00 177.57 174.95 3cxc n ASP 198 N -4.24 0.80 -3.66 3.17 8.00 0.25 -1.99 116.55 118.87 3cxc n ASP 198 Ca 0.08 0.34 -0.15 0.00 0.71 0.00 0.00 54.79 55.77 3cxc n ASP 198 Cb 0.54 0.29 -0.08 0.00 -0.02 0.00 0.00 41.12 41.85 3cxc n ASP 198 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 3cxc s HIS 199 N -2.98 -0.51 0.04 1.24 2.46 -1.10 -4.43 115.29 110.01 3cxc s HIS 199 Ca -0.03 1.07 0.28 0.00 0.47 0.00 0.00 55.06 56.85 3cxc s HIS 199 Cb 0.09 0.24 1.52 0.00 -0.13 0.00 0.00 32.58 34.30 3cxc s HIS 199 CO 0.81 -0.40 1.87 -1.00 -2.47 0.00 0.00 174.74 173.55 3cxc h PRO 200 N 4.28 0.00 -0.00 2.88 0.13 -1.86 0.13 132.00 137.56 3cxc h PRO 200 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 3cxc h PRO 200 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 3cxc h PRO 200 CO 0.29 0.00 -0.70 1.19 -0.23 0.00 0.00 178.00 178.55 3cxc n PHE 201 N -2.50 0.00 -1.15 1.56 0.99 -1.26 -4.46 117.46 110.64 3cxc n PHE 201 Ca -0.02 0.00 -0.29 0.00 -0.00 0.00 0.00 57.45 57.14 3cxc n PHE 201 Cb 0.06 -0.11 0.17 0.00 -1.00 0.00 0.00 39.48 38.60 3cxc n PHE 201 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.76 176.96 3cxc s GLY 202 N -2.91 1.58 0.00 1.37 0.00 0.45 -4.29 107.32 103.51 3cxc s GLY 202 Ca 0.11 -0.29 0.00 0.00 0.00 0.00 0.00 44.72 44.55 3cxc s GLY 202 CO 0.75 0.30 0.00 0.61 0.00 0.00 0.00 173.10 174.76 3cxc n GLY 203 N -1.01 -2.65 0.00 0.20 0.00 -0.54 -3.77 105.19 97.42 3cxc n GLY 203 Ca 0.05 -1.64 0.00 0.00 0.00 0.00 0.00 46.02 44.43 3cxc n GLY 203 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cxc n GLY 204 N -0.80 2.23 0.25 -0.02 0.00 -1.26 -4.78 105.19 100.82 3cxc n GLY 204 Ca 0.00 -1.81 0.15 0.00 0.00 0.00 0.00 46.02 44.35 3cxc n GLY 204 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3cxc h GLY 205 N 0.00 0.00 -3.05 -0.02 0.00 -1.99 -3.45 103.07 94.57 3cxc h GLY 205 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.20 3cxc h GLY 205 CO 0.00 0.00 -0.57 1.09 0.00 0.00 0.00 176.54 177.06 3cxc s ARG 206 N -3.59 0.83 -0.32 4.80 1.70 -1.26 -5.13 118.95 115.97 3cxc s ARG 206 Ca 0.02 -1.24 -0.27 0.00 -0.47 0.00 0.00 55.73 53.76 3cxc s ARG 206 Cb 0.09 0.27 0.01 0.00 -0.57 0.00 0.00 34.95 34.74 3cxc s ARG 206 CO 0.59 -0.23 0.99 -0.65 -1.08 0.00 0.00 175.30 174.92 3cxc s GLN 207 N -3.96 4.01 -0.21 3.89 -0.21 -1.26 -4.97 119.66 116.95 3cxc s GLN 207 Ca 0.14 0.90 -0.30 0.00 0.02 0.00 0.00 55.36 56.11 3cxc s GLN 207 Cb 0.07 -3.75 0.15 0.00 1.00 0.00 0.00 33.01 30.49 3cxc s GLN 207 CO -0.05 -0.87 1.16 -3.38 -2.12 0.00 0.00 175.29 170.04 3cxc s HIS 208 N 3.49 -0.21 0.63 0.91 -3.43 -1.26 -5.11 115.29 110.31 3cxc s HIS 208 Ca 0.42 0.33 -0.15 0.00 -0.80 0.00 0.00 55.06 54.85 3cxc s HIS 208 Cb -0.12 0.48 -0.01 0.00 -1.43 0.00 0.00 32.58 31.49 3cxc s HIS 208 CO 0.15 -0.21 1.10 -1.25 -2.00 0.00 0.00 174.74 172.53 3cxc s PRO 209 N -1.27 2.98 -0.03 -0.38 0.04 -1.26 -4.89 135.00 130.19 3cxc s PRO 209 Ca 0.04 1.35 -0.08 0.00 0.04 0.00 0.00 61.00 62.35 3cxc s PRO 209 Cb -0.01 -1.98 -0.04 0.00 0.04 0.00 0.00 34.50 32.51 3cxc s PRO 209 CO -0.03 -1.10 0.44 0.78 0.04 0.00 0.00 177.00 177.13 3cxc h GLY 210 N 0.20 -0.29 -1.31 0.56 0.00 -1.78 -3.47 103.07 96.98 3cxc h GLY 210 Ca -0.47 0.11 -0.42 0.00 0.00 0.00 0.00 47.33 46.55 3cxc h GLY 210 CO 0.55 -0.11 0.04 0.28 0.00 0.00 0.00 176.54 177.30 3cxc n LYS 211 N -3.94 0.24 -2.32 4.80 5.02 -1.26 -5.05 118.16 115.64 3cxc n LYS 211 Ca -0.03 -2.59 -0.38 0.00 -2.02 0.00 0.00 58.31 53.28 3cxc n LYS 211 Cb 0.11 -0.44 -0.02 0.00 -0.02 0.00 0.00 35.03 34.65 3cxc n LYS 211 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 3cxc s PRO 212 N -4.65 4.05 0.46 1.97 0.04 -1.26 -4.93 135.00 130.68 3cxc s PRO 212 Ca 0.58 1.79 0.31 0.00 0.04 0.00 0.00 61.00 63.72 3cxc s PRO 212 Cb -0.04 -2.64 1.48 0.00 0.04 0.00 0.00 34.50 33.34 3cxc s PRO 212 CO 0.38 -0.31 1.94 0.87 0.04 0.00 0.00 177.00 179.92 3cxc h LYS 213 N 2.58 0.00 -6.41 4.56 1.57 -1.95 -3.44 116.57 113.48 3cxc h LYS 213 Ca -0.49 0.00 -0.54 0.00 -1.87 0.00 0.00 60.65 57.75 3cxc h LYS 213 Cb 1.23 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.52 3cxc h LYS 213 CO 0.62 0.00 0.42 -1.12 -0.57 0.00 0.00 179.45 178.80 3cxc s SER 214 N -4.89 7.31 -0.01 0.86 0.01 -1.26 -0.64 113.70 115.08 3cxc s SER 214 Ca -0.00 1.70 0.07 0.00 1.31 0.00 0.00 55.95 59.04 3cxc s SER 214 Cb 0.09 -2.57 -0.02 0.00 0.21 0.00 0.00 66.02 63.73 3cxc s SER 214 CO 0.41 -0.31 -0.24 -0.51 0.41 0.00 0.00 173.24 173.01 3cxc s ILE 215 N 1.12 1.87 0.51 1.44 1.10 0.01 -4.94 121.20 122.31 3cxc s ILE 215 Ca 0.53 -1.06 -0.22 0.00 -0.51 0.00 0.00 60.65 59.38 3cxc s ILE 215 Cb -0.22 -1.56 -0.07 0.00 0.15 0.00 0.00 42.46 40.76 3cxc s ILE 215 CO 0.27 0.48 1.19 -0.24 -2.11 0.00 0.00 174.94 174.54 3cxc n SER 216 N 2.37 1.99 0.19 4.50 2.88 -1.26 -0.95 113.62 123.34 3cxc n SER 216 Ca -0.16 0.98 0.06 0.00 -1.33 0.00 0.00 58.87 58.42 3cxc n SER 216 Cb 0.52 -1.48 0.54 0.00 -0.75 0.00 0.00 64.21 63.04 3cxc n SER 216 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 3cxc h ARG 217 N 1.40 0.11 0.00 -1.46 2.47 -1.95 -1.73 114.38 113.22 3cxc h ARG 217 Ca -0.49 -0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.22 3cxc h ARG 217 Cb 1.32 -0.02 0.00 0.00 -1.65 0.00 0.00 29.97 29.62 3cxc h ARG 217 CO 0.56 0.14 0.00 0.09 0.56 0.00 0.00 179.97 181.33 3cxc n ASN 218 N -4.45 0.00 -4.49 7.04 3.02 -1.26 -4.89 115.26 110.23 3cxc n ASN 218 Ca -0.02 0.37 -0.38 0.00 -0.03 0.00 0.00 54.58 54.52 3cxc n ASN 218 Cb 0.14 -0.45 0.04 0.00 -0.61 0.00 0.00 39.78 38.90 3cxc n ASN 218 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3cxc n ALA 219 N -1.45 -0.96 -2.34 5.41 0.00 -0.65 -4.95 120.51 115.57 3cxc n ALA 219 Ca 0.08 -0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.21 3cxc n ALA 219 Cb 0.29 -1.87 -0.04 0.00 0.00 0.00 0.00 19.45 17.83 3cxc n ALA 219 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3cxc s PRO 220 N -2.13 3.77 0.31 0.00 0.04 -1.26 -4.77 135.00 130.95 3cxc s PRO 220 Ca 0.69 0.30 -0.29 0.00 0.04 0.00 0.00 61.00 61.74 3cxc s PRO 220 Cb -0.45 -2.54 -0.12 0.00 0.04 0.00 0.00 34.50 31.43 3cxc s PRO 220 CO 0.54 0.15 1.47 -0.35 0.04 0.00 0.00 177.00 178.85 3cxc n PRO 221 N -0.78 2.43 0.00 0.56 -0.04 -1.26 -0.26 135.00 135.65 3cxc n PRO 221 Ca 0.01 0.86 0.00 0.00 -0.04 0.00 0.00 63.50 64.33 3cxc n PRO 221 Cb 0.53 -2.56 0.00 0.00 -0.04 0.00 0.00 33.50 31.44 3cxc n PRO 221 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3cxc n GLY 222 N 1.50 1.08 0.00 0.55 0.00 -1.26 -4.79 105.19 102.27 3cxc n GLY 222 Ca 0.07 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.11 3cxc n GLY 222 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3cxc n ARG 223 N -0.04 2.03 -2.68 1.61 0.63 0.64 -4.75 116.66 114.10 3cxc n ARG 223 Ca 0.00 -0.03 -0.42 0.00 -0.92 0.00 0.00 57.85 56.49 3cxc n ARG 223 Cb 0.00 -0.96 -0.03 0.00 0.45 0.00 0.00 32.46 31.92 3cxc n ARG 223 CO 0.00 0.00 0.00 0.21 -2.51 0.00 0.00 177.63 175.33 3cxc s LYS 224 N -1.98 3.20 0.27 -0.14 2.20 -0.99 -4.91 119.74 117.39 3cxc s LYS 224 Ca -0.00 -0.41 -0.12 0.00 -0.36 0.00 0.00 55.97 55.08 3cxc s LYS 224 Cb 0.03 -4.18 0.00 0.00 -1.51 0.00 0.00 37.83 32.18 3cxc s LYS 224 CO 0.17 -1.95 0.51 0.14 -0.36 0.00 0.00 175.35 173.86 3cxc s VAL 225 N 4.98 0.00 0.00 4.02 -7.23 -1.26 -5.00 120.40 115.92 3cxc s VAL 225 Ca 0.31 -1.39 0.00 0.00 -1.81 0.00 0.00 61.98 59.09 3cxc s VAL 225 Cb -0.11 -2.31 0.00 0.00 0.56 0.00 0.00 36.38 34.52 3cxc s VAL 225 CO 0.14 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.54 3cxc n GLY 226 N -0.42 -0.01 3.55 2.32 0.00 -1.26 -4.63 105.19 104.74 3cxc n GLY 226 Ca -0.02 -1.01 -0.41 0.00 0.00 0.00 0.00 46.02 44.58 3cxc n GLY 226 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3cxc s ASP 227 N -4.00 6.22 -0.11 1.61 1.01 0.18 -4.95 116.67 116.63 3cxc s ASP 227 Ca 0.00 -0.63 -0.30 0.00 0.71 0.00 0.00 52.55 52.34 3cxc s ASP 227 Cb 0.00 -2.56 -0.03 0.00 1.01 0.00 0.00 42.92 41.34 3cxc s ASP 227 CO 0.00 -1.78 1.35 -0.63 0.21 0.00 0.00 175.17 174.32 3cxc s ILE 228 N 5.62 4.06 -0.75 0.77 1.01 -1.26 -0.81 121.20 129.85 3cxc s ILE 228 Ca 0.37 1.32 -0.08 0.00 0.00 0.00 0.00 60.65 62.26 3cxc s ILE 228 Cb -0.07 -3.85 0.08 0.00 0.01 0.00 0.00 42.46 38.63 3cxc s ILE 228 CO 0.11 -0.09 0.23 0.00 0.00 0.00 0.00 174.94 175.19 3cxc n ALA 229 N 6.40 -1.06 -1.64 9.38 0.00 -0.12 -4.80 120.51 128.66 3cxc n ALA 229 Ca 0.14 -0.05 -0.47 0.00 0.00 0.00 0.00 53.44 53.06 3cxc n ALA 229 Cb 0.44 -1.38 -0.04 0.00 0.00 0.00 0.00 19.45 18.47 3cxc n ALA 229 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3cxc n SER 230 N -1.88 2.52 -0.03 0.00 3.41 -1.25 -4.84 113.62 111.55 3cxc n SER 230 Ca 0.03 1.11 0.13 0.00 -0.26 0.00 0.00 58.87 59.89 3cxc n SER 230 Cb 0.49 -1.36 0.51 0.00 -0.26 0.00 0.00 64.21 63.60 3cxc n SER 230 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3cxc n LYS 231 N 2.64 0.21 0.00 4.33 5.02 -1.26 -4.93 118.16 124.18 3cxc n LYS 231 Ca 0.15 -0.07 0.00 0.00 -2.02 0.00 0.00 58.31 56.38 3cxc n LYS 231 Cb 0.27 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.78 3cxc n LYS 231 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77 3cxc n ARG 232 N -1.34 0.00 -4.13 1.97 1.85 -1.26 -5.19 116.66 108.57 3cxc n ARG 232 Ca 0.09 0.00 -0.13 0.00 -1.00 0.00 0.00 57.85 56.81 3cxc n ARG 232 Cb 0.32 0.00 -0.07 0.00 -1.05 0.00 0.00 32.46 31.66 3cxc n ARG 232 CO 0.00 0.00 0.00 0.95 -0.01 0.00 0.00 177.63 178.57 3cxc s THR 233 N -2.00 0.00 0.02 8.89 -4.23 -1.26 -5.12 115.64 111.94 3cxc s THR 233 Ca 0.00 -1.72 0.00 0.00 -1.18 0.00 0.00 61.69 58.79 3cxc s THR 233 Cb 0.00 -2.47 0.00 0.00 1.34 0.00 0.00 72.50 71.37 3cxc s THR 233 CO 0.00 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.69 3cxc n GLY 234 N -0.44 -2.03 0.01 3.99 0.00 -1.26 -4.77 105.19 100.68 3cxc n GLY 234 Ca 0.02 -1.41 -0.01 0.00 0.00 0.00 0.00 46.02 44.62 3cxc n GLY 234 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3cxc n ARG 235 N -0.85 3.75 -1.48 1.61 1.74 -1.26 -5.05 116.66 115.11 3cxc n ARG 235 Ca 0.00 -0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 56.66 3cxc n ARG 235 Cb 0.05 -1.03 0.01 0.00 -1.02 0.00 0.00 32.46 30.46 3cxc n ARG 235 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3cxc n GLY 236 N 2.92 -1.30 3.77 -0.13 0.00 -1.26 -5.30 105.19 103.90 3cxc n GLY 236 Ca -0.02 0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.07 3cxc n GLY 236 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93