#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gxl h ALA 2 N 0.00 1.74 -0.92 -1.39 0.00 -1.95 -1.80 119.26 114.94 3gxl h ALA 2 Ca 0.00 -0.02 0.18 0.00 0.00 0.00 0.00 54.91 55.07 3gxl h ALA 2 Cb 0.00 -0.18 -0.08 0.00 0.00 0.00 0.00 17.79 17.54 3gxl h ALA 2 CO 0.00 0.13 0.59 -0.09 0.00 0.00 0.00 179.25 179.88 3gxl h ARG 3 N 0.72 0.57 -0.47 0.00 2.43 -2.02 -2.27 114.38 113.33 3gxl h ARG 3 Ca 0.32 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.45 3gxl h ARG 3 Cb 0.32 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.74 3gxl h ARG 3 CO -0.11 0.37 0.00 0.25 -1.51 0.00 0.00 179.97 178.98 3gxl n THR 4 N -4.58 2.16 -4.08 0.20 -2.24 -0.69 -4.95 114.28 100.10 3gxl n THR 4 Ca 0.19 -1.46 -0.35 0.00 -2.27 0.00 0.00 64.05 60.16 3gxl n THR 4 Cb 0.59 -0.07 -0.09 0.00 -2.10 0.00 0.00 70.33 68.66 3gxl n THR 4 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3gxl s ILE 5 N -2.33 4.73 -0.25 2.28 1.01 -0.86 -4.57 121.20 121.22 3gxl s ILE 5 Ca 0.46 -0.06 -0.05 0.00 0.00 0.00 0.00 60.65 61.00 3gxl s ILE 5 Cb 0.34 -3.10 -0.00 0.00 0.01 0.00 0.00 42.46 39.70 3gxl s ILE 5 CO 0.16 0.50 0.01 -0.69 0.00 0.00 0.00 174.94 174.93 3gxl s VAL 6 N 0.00 3.68 0.26 2.92 1.01 -0.41 -4.91 120.40 122.95 3gxl s VAL 6 Ca 0.06 -0.53 -0.30 0.00 0.00 0.00 0.00 61.98 61.21 3gxl s VAL 6 Cb -0.12 -2.77 -0.09 0.00 0.00 0.00 0.00 36.38 33.40 3gxl s VAL 6 CO 0.01 0.29 1.11 -0.76 0.00 0.00 0.00 175.10 175.75 3gxl s LEU 7 N 1.50 4.53 0.00 3.92 1.43 -1.26 -0.88 118.68 127.92 3gxl s LEU 7 Ca 0.04 2.25 0.00 0.00 -1.03 0.00 0.00 54.13 55.39 3gxl s LEU 7 Cb -0.15 -3.62 0.00 0.00 0.03 0.00 0.00 46.19 42.44 3gxl s LEU 7 CO -0.00 -0.18 0.00 0.00 0.23 0.00 0.00 176.35 176.40 3gxl n GLN 8 N 1.47 2.49 -3.67 1.70 6.02 0.10 -4.95 117.38 120.54 3gxl n GLN 8 Ca -0.00 0.00 -0.13 0.00 -0.01 0.00 0.00 57.00 56.86 3gxl n GLN 8 Cb 0.45 -0.99 -0.08 0.00 1.02 0.00 0.00 30.24 30.63 3gxl n GLN 8 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 3gxl s GLU 9 N -1.99 0.66 -0.15 -1.09 2.12 -1.08 -4.99 118.70 112.19 3gxl s GLU 9 Ca 0.00 0.86 -0.29 0.00 0.36 0.00 0.00 54.97 55.89 3gxl s GLU 9 Cb 0.00 0.28 -0.01 0.00 0.26 0.00 0.00 34.13 34.66 3gxl s GLU 9 CO 0.00 -0.10 1.11 0.45 -0.54 0.00 0.00 175.26 176.18 3gxl s SER 10 N 0.55 7.10 -0.00 -1.70 0.15 -1.26 -0.67 113.70 117.87 3gxl s SER 10 Ca -0.02 1.57 0.00 0.00 0.70 0.00 0.00 55.95 58.21 3gxl s SER 10 Cb -0.05 -2.55 0.01 0.00 -1.71 0.00 0.00 66.02 61.72 3gxl s SER 10 CO -0.03 -0.61 1.00 2.30 1.20 0.00 0.00 173.24 177.11 3gxl n ILE 11 N 4.97 1.02 -1.72 6.45 -5.35 0.20 -4.93 119.36 120.01 3gxl n ILE 11 Ca 0.11 -1.03 0.00 0.00 -0.27 0.00 0.00 62.75 61.57 3gxl n ILE 11 Cb 0.47 0.48 0.00 0.00 -1.74 0.00 0.00 39.64 38.85 3gxl n ILE 11 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3gxl n GLY 12 N -0.52 0.10 3.56 3.28 0.00 -1.09 -4.94 105.19 105.57 3gxl n GLY 12 Ca 0.00 -1.60 -0.16 0.00 0.00 0.00 0.00 46.02 44.27 3gxl n GLY 12 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3gxl s LYS 13 N -2.00 0.94 0.00 1.61 -2.85 -1.26 0.40 119.74 116.58 3gxl s LYS 13 Ca 0.00 0.58 0.00 0.00 -1.00 0.00 0.00 55.97 55.55 3gxl s LYS 13 Cb 0.00 0.45 0.00 0.00 -2.06 0.00 0.00 37.83 36.22 3gxl s LYS 13 CO 0.00 -0.22 0.00 0.41 0.10 0.00 0.00 175.35 175.64 3gxl n GLY 14 N 1.75 0.71 0.33 0.59 0.00 0.00 -4.90 105.19 103.67 3gxl n GLY 14 Ca -0.17 -1.88 -0.00 0.00 0.00 0.00 0.00 46.02 43.97 3gxl n GLY 14 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3gxl h ARG 15 N 0.00 0.91 -3.69 1.61 0.11 -2.02 -3.41 114.38 107.89 3gxl h ARG 15 Ca 0.00 -0.09 -0.24 0.00 0.10 0.00 0.00 59.98 59.75 3gxl h ARG 15 Cb 0.00 -0.19 -0.29 0.00 1.11 0.00 0.00 29.97 30.60 3gxl h ARG 15 CO 0.00 0.66 -0.72 -0.06 0.10 0.00 0.00 179.97 179.94 3gxl s PHE 16 N -5.65 0.01 0.00 4.08 0.08 -1.26 -5.11 117.98 110.12 3gxl s PHE 16 Ca -0.10 0.02 0.00 0.00 0.12 0.00 0.00 56.93 56.97 3gxl s PHE 16 Cb 0.17 -0.04 0.00 0.00 -0.57 0.00 0.00 43.02 42.58 3gxl s PHE 16 CO 0.78 -0.02 0.00 0.41 -0.10 0.00 0.00 175.22 176.30 3gxl n GLY 17 N 3.27 2.16 3.71 4.36 0.00 -1.26 -4.96 105.19 112.47 3gxl n GLY 17 Ca -0.15 -1.61 -0.35 0.00 0.00 0.00 0.00 46.02 43.91 3gxl n GLY 17 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3gxl s GLU 18 N -4.78 3.61 -0.15 1.61 -1.05 -0.62 -0.82 118.70 116.50 3gxl s GLU 18 Ca 0.00 -0.31 -0.14 0.00 -0.15 0.00 0.00 54.97 54.37 3gxl s GLU 18 Cb 0.00 -3.10 -0.05 0.00 -0.44 0.00 0.00 34.13 30.54 3gxl s GLU 18 CO 0.00 0.50 0.31 0.08 0.95 0.00 0.00 175.26 177.10 3gxl s VAL 19 N -0.28 5.29 0.11 1.83 1.01 0.16 -0.85 120.40 127.67 3gxl s VAL 19 Ca 0.08 0.59 0.07 0.00 0.00 0.00 0.00 61.98 62.72 3gxl s VAL 19 Cb -0.12 -3.65 -0.04 0.00 0.00 0.00 0.00 36.38 32.58 3gxl s VAL 19 CO 0.01 0.39 -0.17 0.26 0.00 0.00 0.00 175.10 175.60 3gxl s TRP 20 N 0.40 1.54 -0.25 5.22 0.52 0.19 -0.62 118.94 125.93 3gxl s TRP 20 Ca 0.18 -0.47 -0.12 0.00 0.02 0.00 0.00 56.10 55.71 3gxl s TRP 20 Cb -0.13 -0.82 -0.05 0.00 -1.15 0.00 0.00 33.47 31.32 3gxl s TRP 20 CO 0.05 0.17 0.21 0.50 0.02 0.00 0.00 176.95 177.90 3gxl s ARG 21 N -2.20 4.04 0.44 4.98 3.52 0.16 -0.17 118.95 129.73 3gxl s ARG 21 Ca 0.06 -0.21 0.03 0.00 -0.13 0.00 0.00 55.73 55.48 3gxl s ARG 21 Cb -0.08 -3.59 -0.02 0.00 -1.56 0.00 0.00 34.95 29.70 3gxl s ARG 21 CO 0.04 -0.05 0.09 0.20 -0.81 0.00 0.00 175.30 174.77 3gxl s GLY 22 N 1.32 2.75 -0.10 8.12 0.00 0.37 -0.72 107.32 119.06 3gxl s GLY 22 Ca 0.09 -0.97 0.02 0.00 0.00 0.00 0.00 44.72 43.86 3gxl s GLY 22 CO 0.07 -1.95 -0.17 0.54 0.00 0.00 0.00 173.10 171.59 3gxl s LYS 23 N -3.76 2.38 0.00 2.90 1.02 -0.06 -1.13 119.74 121.10 3gxl s LYS 23 Ca 0.18 -0.63 0.00 0.00 0.02 0.00 0.00 55.97 55.54 3gxl s LYS 23 Cb 0.02 -1.95 0.00 0.00 -0.52 0.00 0.00 37.83 35.38 3gxl s LYS 23 CO 0.11 -0.00 0.00 1.87 -0.92 0.00 0.00 175.35 176.41 3gxl n TRP 24 N 4.01 0.00 -2.41 3.18 -0.00 -1.26 -1.29 117.44 119.67 3gxl n TRP 24 Ca -0.20 0.00 -0.41 0.00 -0.00 0.00 0.00 57.50 56.90 3gxl n TRP 24 Cb 0.52 0.00 -0.04 0.00 -0.00 0.00 0.00 31.31 31.79 3gxl n TRP 24 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 177.69 176.48 3gxl s GLU 28 N -1.96 4.57 0.12 5.87 2.02 -1.26 -5.08 118.70 122.99 3gxl s GLU 28 Ca 0.00 1.87 -0.06 0.00 0.02 0.00 0.00 54.97 56.80 3gxl s GLU 28 Cb 0.00 -3.18 -0.02 0.00 0.10 0.00 0.00 34.13 31.03 3gxl s GLU 28 CO 0.00 0.10 0.17 0.14 0.02 0.00 0.00 175.26 175.69 3gxl s VAL 29 N -0.95 0.12 -0.10 2.63 -7.23 -0.28 -4.28 120.40 110.30 3gxl s VAL 29 Ca 0.47 -1.49 -0.03 0.00 -1.81 0.00 0.00 61.98 59.11 3gxl s VAL 29 Cb -0.33 -1.70 -0.03 0.00 0.56 0.00 0.00 36.38 34.88 3gxl s VAL 29 CO 0.42 -0.52 0.03 0.00 -0.31 0.00 0.00 175.10 174.72 3gxl s ALA 30 N -3.95 3.41 -0.04 1.32 0.00 -0.04 -0.48 121.76 121.98 3gxl s ALA 30 Ca 0.14 -0.77 0.02 0.00 0.00 0.00 0.00 51.96 51.35 3gxl s ALA 30 Cb 0.05 -1.61 0.01 0.00 0.00 0.00 0.00 23.12 21.58 3gxl s ALA 30 CO -0.04 0.56 -0.09 0.08 0.00 0.00 0.00 175.76 176.27 3gxl s VAL 31 N -0.82 0.85 -0.20 0.00 1.01 0.77 -0.68 120.40 121.33 3gxl s VAL 31 Ca 0.13 -0.35 -0.03 0.00 0.00 0.00 0.00 61.98 61.73 3gxl s VAL 31 Cb -0.12 -0.79 -0.00 0.00 0.00 0.00 0.00 36.38 35.47 3gxl s VAL 31 CO 0.03 0.28 -0.08 -0.75 0.00 0.00 0.00 175.10 174.58 3gxl s LYS 32 N 0.54 3.31 -0.17 2.72 2.20 -0.03 0.55 119.74 128.87 3gxl s LYS 32 Ca -0.09 -0.66 -0.04 0.00 -0.36 0.00 0.00 55.97 54.81 3gxl s LYS 32 Cb -0.13 -2.90 -0.03 0.00 -1.51 0.00 0.00 37.83 33.27 3gxl s LYS 32 CO 0.02 -0.16 -0.02 0.42 -0.36 0.00 0.00 175.35 175.24 3gxl s ILE 33 N 1.34 3.92 0.19 5.43 1.01 -0.03 -1.88 121.20 131.18 3gxl s ILE 33 Ca 0.04 -0.34 0.09 0.00 0.00 0.00 0.00 60.65 60.44 3gxl s ILE 33 Cb -0.14 -2.73 -0.04 0.00 0.01 0.00 0.00 42.46 39.55 3gxl s ILE 33 CO -0.04 0.47 -0.05 -0.36 0.00 0.00 0.00 174.94 174.95 3gxl s PHE 34 N 0.57 2.70 0.56 3.97 0.08 0.17 -1.59 117.98 124.45 3gxl s PHE 34 Ca -0.02 -0.20 -0.02 0.00 0.12 0.00 0.00 56.93 56.82 3gxl s PHE 34 Cb -0.14 -1.30 0.03 0.00 -0.57 0.00 0.00 43.02 41.04 3gxl s PHE 34 CO 0.02 0.53 0.82 -1.54 -0.10 0.00 0.00 175.22 174.95 3gxl s SER 35 N -2.99 5.36 0.48 1.36 1.04 -1.26 -1.26 113.70 116.45 3gxl s SER 35 Ca 0.27 0.26 0.16 0.00 0.48 0.00 0.00 55.95 57.12 3gxl s SER 35 Cb -0.09 -1.20 1.17 0.00 0.10 0.00 0.00 66.02 66.00 3gxl s SER 35 CO 0.17 -1.12 2.06 0.77 0.98 0.00 0.00 173.24 176.10 3gxl h SER 36 N -0.02 0.16 0.68 7.02 4.64 -1.97 -0.45 113.55 123.61 3gxl h SER 36 Ca -0.44 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 3gxl h SER 36 Cb 1.28 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 3gxl h SER 36 CO 0.56 0.11 0.00 -2.11 -0.87 0.00 0.00 176.83 174.52 3gxl n ARG 37 N -4.48 0.05 -0.71 4.77 1.85 -1.26 -2.54 116.66 114.34 3gxl n ARG 37 Ca 0.04 0.12 0.06 0.00 -1.00 0.00 0.00 57.85 57.07 3gxl n ARG 37 Cb 0.26 -1.50 0.32 0.00 -1.05 0.00 0.00 32.46 30.49 3gxl n ARG 37 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 3gxl n GLU 38 N -1.46 3.78 -0.27 2.89 1.02 -0.18 -4.68 120.64 121.74 3gxl n GLU 38 Ca 0.06 -3.02 0.04 0.00 -0.02 0.00 0.00 57.16 54.22 3gxl n GLU 38 Cb 0.24 -2.06 0.18 0.00 -0.02 0.00 0.00 31.44 29.78 3gxl n GLU 38 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 3gxl h GLU 39 N 2.76 0.58 -0.92 3.49 4.81 -1.55 -1.66 114.58 122.09 3gxl h GLU 39 Ca 0.04 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 3gxl h GLU 39 Cb 1.78 -0.13 -0.05 0.00 0.63 0.00 0.00 28.75 30.99 3gxl h GLU 39 CO 0.40 0.39 0.58 0.00 -0.73 0.00 0.00 179.01 179.65 3gxl h ARG 40 N 0.60 1.24 -0.32 1.92 3.08 -1.87 0.29 114.38 119.32 3gxl h ARG 40 Ca 0.41 -0.10 -0.13 0.00 0.07 0.00 0.00 59.98 60.23 3gxl h ARG 40 Cb 0.53 -0.27 -0.01 0.00 0.08 0.00 0.00 29.97 30.30 3gxl h ARG 40 CO -0.33 0.85 -0.31 0.77 -1.07 0.00 0.00 179.97 179.88 3gxl h SER 41 N 1.27 0.82 0.06 7.04 0.02 -1.73 -1.54 113.55 119.49 3gxl h SER 41 Ca 0.33 -0.47 -0.00 0.00 -0.84 0.00 0.00 61.79 60.82 3gxl h SER 41 Cb -0.09 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 62.22 3gxl h SER 41 CO -0.07 1.12 -0.03 -0.25 -1.14 0.00 0.00 176.83 176.46 3gxl h TRP 42 N 0.54 -0.07 -0.11 3.45 7.01 -0.92 -2.30 115.95 123.53 3gxl h TRP 42 Ca 0.05 -0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.05 3gxl h TRP 42 Cb 0.88 0.02 -0.01 0.00 -2.10 0.00 0.00 29.16 27.96 3gxl h TRP 42 CO 0.07 0.06 0.06 0.35 -2.79 0.00 0.00 178.44 176.19 3gxl h PHE 43 N -0.19 0.12 -0.73 2.65 3.57 -0.43 -0.95 116.94 120.98 3gxl h PHE 43 Ca -0.01 0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.52 3gxl h PHE 43 Cb 0.16 -0.04 -0.04 0.00 2.79 0.00 0.00 35.95 38.83 3gxl h PHE 43 CO -0.04 0.07 0.47 -0.09 -2.23 0.00 0.00 178.31 176.49 3gxl h ARG 44 N 0.13 0.91 -0.34 1.11 9.65 -1.24 0.23 114.38 124.84 3gxl h ARG 44 Ca 0.04 -0.06 -0.14 0.00 -1.10 0.00 0.00 59.98 58.73 3gxl h ARG 44 Cb -0.00 -0.21 -0.01 0.00 -1.39 0.00 0.00 29.97 28.36 3gxl h ARG 44 CO -0.02 0.61 -0.35 1.49 2.80 0.00 0.00 179.97 184.49 3gxl h GLU 45 N 0.94 0.76 -0.89 0.20 4.81 -1.27 -1.52 114.58 117.61 3gxl h GLU 45 Ca 0.28 -0.37 -0.00 0.00 -0.13 0.00 0.00 59.36 59.14 3gxl h GLU 45 Cb -0.04 -0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.29 3gxl h GLU 45 CO -0.09 0.99 0.55 0.00 -0.73 0.00 0.00 179.01 179.73 3gxl h ALA 46 N 0.97 1.13 -0.43 2.92 0.00 -0.45 -1.24 119.26 122.17 3gxl h ALA 46 Ca 0.06 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 3gxl h ALA 46 Cb 0.89 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 3gxl h ALA 46 CO 0.08 0.58 0.24 1.49 0.00 0.00 0.00 179.25 181.64 3gxl h GLU 47 N 1.22 0.60 -0.15 0.00 4.81 -0.19 -1.58 114.58 119.29 3gxl h GLU 47 Ca 0.32 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 59.47 3gxl h GLU 47 Cb -0.07 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.19 3gxl h GLU 47 CO -0.06 0.47 0.04 0.82 -0.73 0.00 0.00 179.01 179.55 3gxl h ILE 48 N 0.57 1.20 0.00 2.32 1.08 -0.90 -2.75 117.51 119.02 3gxl h ILE 48 Ca 0.15 -0.63 -0.01 0.00 -0.39 0.00 0.00 64.86 63.99 3gxl h ILE 48 Cb 0.04 1.34 -0.00 0.00 -3.07 0.00 0.00 36.82 35.13 3gxl h ILE 48 CO -0.03 0.19 -0.04 1.88 -0.69 0.00 0.00 178.15 179.46 3gxl h TYR 49 N 0.04 0.00 -0.39 1.37 0.05 -1.09 -1.95 116.97 115.01 3gxl h TYR 49 Ca 0.05 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.83 3gxl h TYR 49 Cb 0.26 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.00 3gxl h TYR 49 CO 0.01 0.04 0.00 1.04 -1.05 0.00 0.00 178.16 178.20 3gxl n GLN 50 N -3.62 1.96 -1.77 4.88 6.02 -0.61 -4.88 117.38 119.35 3gxl n GLN 50 Ca -0.02 -1.48 -0.41 0.00 -0.01 0.00 0.00 57.00 55.07 3gxl n GLN 50 Cb 0.14 -1.34 -0.00 0.00 1.02 0.00 0.00 30.24 30.05 3gxl n GLN 50 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 3gxl n THR 51 N 0.70 1.69 -1.70 5.09 -1.04 -0.74 -4.89 114.28 113.40 3gxl n THR 51 Ca 0.14 -0.42 -0.43 0.00 -2.04 0.00 0.00 64.05 61.30 3gxl n THR 51 Cb 0.36 -1.99 -0.02 0.00 -1.82 0.00 0.00 70.33 66.85 3gxl n THR 51 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 3gxl n VAL 52 N 0.98 1.12 -2.48 12.58 0.31 -1.26 -2.45 118.33 127.13 3gxl n VAL 52 Ca 0.03 -0.28 -0.17 0.00 -0.01 0.00 0.00 64.34 63.91 3gxl n VAL 52 Cb 0.38 -1.64 -0.01 0.00 -0.91 0.00 0.00 33.84 31.67 3gxl n VAL 52 CO 0.00 0.00 0.00 0.23 -1.32 0.00 0.00 176.83 175.74 3gxl n MET 53 N 1.86 -2.14 0.09 5.55 2.81 -1.26 -4.22 117.12 119.80 3gxl n MET 53 Ca 0.10 0.82 -0.13 0.00 -1.81 0.00 0.00 57.70 56.68 3gxl n MET 53 Cb 0.34 -5.47 -0.08 0.00 -0.71 0.00 0.00 33.22 27.30 3gxl n MET 53 CO 0.00 0.00 0.00 1.25 1.51 0.00 0.00 175.97 178.73 3gxl h LEU 54 N -0.10 0.39 -9.43 4.03 5.85 -1.82 -3.47 115.31 110.75 3gxl h LEU 54 Ca -0.41 -0.36 -0.62 0.00 0.84 0.00 0.00 57.88 57.33 3gxl h LEU 54 Cb 1.30 -0.12 0.08 0.00 0.37 0.00 0.00 40.66 42.30 3gxl h LEU 54 CO 0.48 1.21 0.36 0.54 -0.34 0.00 0.00 178.44 180.69 3gxl n ARG 55 N -3.62 1.47 -3.52 1.25 1.74 -1.26 -4.95 116.66 107.76 3gxl n ARG 55 Ca -0.06 0.52 -0.17 0.00 -0.77 0.00 0.00 57.85 57.37 3gxl n ARG 55 Cb 0.91 -2.05 -0.06 0.00 -1.02 0.00 0.00 32.46 30.23 3gxl n ARG 55 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 3gxl s HIS 56 N -0.27 -0.62 0.60 -1.55 2.46 -1.26 -5.05 115.29 109.60 3gxl s HIS 56 Ca 0.70 1.04 0.31 0.00 0.47 0.00 0.00 55.06 57.58 3gxl s HIS 56 Cb -0.77 0.42 1.87 0.00 -0.13 0.00 0.00 32.58 33.97 3gxl s HIS 56 CO 0.52 -0.59 2.24 1.05 -2.47 0.00 0.00 174.74 175.49 3gxl h GLU 57 N 2.91 0.00 -0.53 2.88 4.11 -1.97 -2.09 114.58 119.89 3gxl h GLU 57 Ca -0.26 0.00 -0.11 0.00 0.07 0.00 0.00 59.36 59.05 3gxl h GLU 57 Cb 1.15 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.33 3gxl h GLU 57 CO 0.38 0.00 0.11 0.09 0.07 0.00 0.00 179.01 179.66 3gxl n ASN 58 N -3.73 4.45 -4.10 3.06 5.03 -1.26 -4.72 115.26 113.98 3gxl n ASN 58 Ca -0.02 -3.18 -0.27 0.00 0.87 0.00 0.00 54.58 51.98 3gxl n ASN 58 Cb 0.13 -0.67 -0.17 0.00 -1.02 0.00 0.00 39.78 38.06 3gxl n ASN 58 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 3gxl s ILE 59 N -2.95 1.43 0.11 2.41 -1.09 -0.79 -0.62 121.20 119.71 3gxl s ILE 59 Ca 0.50 -0.67 -0.36 0.00 -2.23 0.00 0.00 60.65 57.89 3gxl s ILE 59 Cb 0.41 -1.26 -0.16 0.00 -1.58 0.00 0.00 42.46 39.86 3gxl s ILE 59 CO 0.11 0.42 1.31 -0.11 -1.23 0.00 0.00 174.94 175.44 3gxl n LEU 60 N 3.55 1.69 -4.63 2.97 7.94 -0.09 -4.59 117.00 123.84 3gxl n LEU 60 Ca -0.21 1.12 -0.43 0.00 -1.11 0.00 0.00 56.01 55.39 3gxl n LEU 60 Cb 0.52 -1.21 -0.02 0.00 0.53 0.00 0.00 43.42 43.24 3gxl n LEU 60 CO 0.26 -1.07 1.20 -0.83 -1.11 0.00 0.00 177.39 175.84 3gxl s GLY 61 N 0.39 1.34 0.04 -3.96 0.00 -1.26 -4.97 107.32 98.89 3gxl s GLY 61 Ca 0.81 0.20 -0.24 0.00 0.00 0.00 0.00 44.72 45.50 3gxl s GLY 61 CO 0.48 2.70 0.74 -0.12 0.00 0.00 0.00 173.10 176.89 3gxl s PHE 62 N 4.59 3.73 -0.23 1.90 5.36 -1.26 -1.46 117.98 130.61 3gxl s PHE 62 Ca 0.60 1.43 -0.13 0.00 -0.96 0.00 0.00 56.93 57.87 3gxl s PHE 62 Cb -0.19 -2.79 -0.09 0.00 -0.34 0.00 0.00 43.02 39.61 3gxl s PHE 62 CO 0.25 0.28 -0.32 -0.89 -1.46 0.00 0.00 175.22 173.08 3gxl n ILE 63 N 2.81 1.38 -3.61 3.12 5.41 0.18 -4.95 119.36 123.70 3gxl n ILE 63 Ca -0.03 -0.23 -0.02 0.00 1.00 0.00 0.00 62.75 63.47 3gxl n ILE 63 Cb 0.50 -1.93 -0.02 0.00 -0.71 0.00 0.00 39.64 37.49 3gxl n ILE 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3gxl s ALA 64 N -2.53 -2.18 -0.06 -1.39 0.00 -1.05 -4.99 121.76 109.55 3gxl s ALA 64 Ca -0.33 1.44 0.02 0.00 0.00 0.00 0.00 51.96 53.09 3gxl s ALA 64 Cb 0.11 -0.06 -0.03 0.00 0.00 0.00 0.00 23.12 23.14 3gxl s ALA 64 CO 0.42 -0.72 -0.10 0.00 0.00 0.00 0.00 175.76 175.37 3gxl s ALA 65 N -2.29 2.85 0.32 0.00 0.00 -1.26 -0.22 121.76 121.15 3gxl s ALA 65 Ca 0.11 -0.92 -0.12 0.00 0.00 0.00 0.00 51.96 51.03 3gxl s ALA 65 Cb 0.01 -1.13 0.02 0.00 0.00 0.00 0.00 23.12 22.01 3gxl s ALA 65 CO -0.04 0.55 0.59 0.34 0.00 0.00 0.00 175.76 177.20 3gxl s ASP 66 N -0.72 0.20 0.06 0.00 -1.08 -0.35 -4.99 116.67 109.78 3gxl s ASP 66 Ca 0.11 -1.11 0.08 0.00 -0.52 0.00 0.00 52.55 51.12 3gxl s ASP 66 Cb -0.11 0.70 -0.03 0.00 -1.46 0.00 0.00 42.92 42.02 3gxl s ASP 66 CO 0.01 -1.36 -0.22 0.20 0.52 0.00 0.00 175.17 174.32 3gxl s ASN 67 N -3.08 2.68 -0.14 -0.34 -0.87 -1.26 -0.57 114.94 111.36 3gxl s ASN 67 Ca 0.21 -0.58 -0.04 0.00 -1.57 0.00 0.00 52.86 50.89 3gxl s ASN 67 Cb -0.03 -0.21 0.06 0.00 -0.02 0.00 0.00 41.25 41.05 3gxl s ASN 67 CO 0.13 0.17 0.10 -0.75 -2.57 0.00 0.00 177.10 174.17 3gxl s LYS 68 N -1.36 0.04 -0.36 -0.60 2.20 -0.48 -4.82 119.74 114.35 3gxl s LYS 68 Ca 0.09 0.10 -0.18 0.00 -0.36 0.00 0.00 55.97 55.61 3gxl s LYS 68 Cb -0.09 -1.36 0.00 0.00 -1.51 0.00 0.00 37.83 34.87 3gxl s LYS 68 CO 0.02 -0.56 0.52 0.34 -0.36 0.00 0.00 175.35 175.31 3gxl s ASP 69 N 2.17 6.31 0.00 1.43 -1.08 -1.26 -0.50 116.67 123.74 3gxl s ASP 69 Ca 0.03 -0.11 0.20 0.00 -0.52 0.00 0.00 52.55 52.15 3gxl s ASP 69 Cb -0.15 -2.27 0.81 0.00 -1.46 0.00 0.00 42.92 39.85 3gxl s ASP 69 CO -0.08 -0.52 1.57 -0.46 0.52 0.00 0.00 175.17 176.20 3gxl n ASN 70 N 5.78 1.27 0.00 -0.34 0.23 -0.88 -4.87 115.26 116.44 3gxl n ASN 70 Ca -0.05 -1.66 0.00 0.00 -0.53 0.00 0.00 54.58 52.35 3gxl n ASN 70 Cb 0.49 -0.08 0.00 0.00 -2.08 0.00 0.00 39.78 38.10 3gxl n ASN 70 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3gxl n GLY 71 N 1.04 1.96 0.25 4.83 0.00 -1.26 -4.83 105.19 107.19 3gxl n GLY 71 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 3gxl n GLY 71 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3gxl n THR 72 N -1.59 0.00 -3.92 2.61 -1.04 -1.26 -5.10 114.28 103.99 3gxl n THR 72 Ca 0.00 0.00 -0.09 0.00 -2.04 0.00 0.00 64.05 61.92 3gxl n THR 72 Cb 0.00 -0.70 -0.08 0.00 -1.82 0.00 0.00 70.33 67.74 3gxl n THR 72 CO 0.00 0.00 0.00 -1.66 -0.64 0.00 0.00 175.07 172.77 3gxl s TRP 73 N -1.95 0.27 -0.16 -1.42 -2.14 -1.26 -5.15 118.94 107.13 3gxl s TRP 73 Ca 0.00 -0.71 -0.08 0.00 2.66 0.00 0.00 56.10 57.98 3gxl s TRP 73 Cb 0.00 -0.12 -0.04 0.00 -3.10 0.00 0.00 33.47 30.20 3gxl s TRP 73 CO 0.00 -0.55 0.12 0.99 -2.66 0.00 0.00 176.95 174.85 3gxl s THR 74 N -3.89 5.30 -0.05 0.66 2.01 -1.26 -2.08 115.64 116.33 3gxl s THR 74 Ca 0.08 0.14 -0.02 0.00 0.31 0.00 0.00 61.69 62.21 3gxl s THR 74 Cb 0.05 -3.36 -0.04 0.00 0.01 0.00 0.00 72.50 69.16 3gxl s THR 74 CO -0.09 0.53 0.06 -1.10 -0.69 0.00 0.00 174.62 173.33 3gxl s GLN 75 N -0.29 3.08 -0.30 4.92 -0.21 0.35 -4.19 119.66 123.02 3gxl s GLN 75 Ca 0.11 -0.42 -0.09 0.00 0.02 0.00 0.00 55.36 54.98 3gxl s GLN 75 Cb -0.12 -2.87 -0.01 0.00 1.00 0.00 0.00 33.01 31.01 3gxl s GLN 75 CO 0.01 0.68 0.13 -0.51 -2.12 0.00 0.00 175.29 173.49 3gxl s LEU 76 N -1.35 3.95 0.02 2.90 1.43 -0.39 -1.39 118.68 123.86 3gxl s LEU 76 Ca 0.18 -0.44 0.01 0.00 -1.03 0.00 0.00 54.13 52.85 3gxl s LEU 76 Cb -0.12 -1.98 -0.04 0.00 0.03 0.00 0.00 46.19 44.08 3gxl s LEU 76 CO 0.08 -0.15 0.05 0.26 0.23 0.00 0.00 176.35 176.82 3gxl s TRP 77 N 1.61 3.18 -0.06 0.29 0.52 0.26 -0.66 118.94 124.09 3gxl s TRP 77 Ca 0.05 0.12 0.01 0.00 0.02 0.00 0.00 56.10 56.30 3gxl s TRP 77 Cb -0.17 -1.68 0.02 0.00 -1.15 0.00 0.00 33.47 30.50 3gxl s TRP 77 CO 0.06 0.51 -0.06 -0.51 0.02 0.00 0.00 176.95 176.97 3gxl s LEU 78 N -1.87 1.33 -0.04 2.99 1.43 -0.79 -1.21 118.68 120.53 3gxl s LEU 78 Ca 0.23 -0.19 0.07 0.00 -1.03 0.00 0.00 54.13 53.22 3gxl s LEU 78 Cb -0.12 -0.59 -0.02 0.00 0.03 0.00 0.00 46.19 45.49 3gxl s LEU 78 CO 0.15 -0.05 -0.24 -0.69 0.23 0.00 0.00 176.35 175.75 3gxl s VAL 79 N 1.03 2.17 0.31 -1.59 1.01 0.69 -0.85 120.40 123.18 3gxl s VAL 79 Ca -0.09 -1.05 0.01 0.00 0.00 0.00 0.00 61.98 60.86 3gxl s VAL 79 Cb -0.14 -1.77 -0.02 0.00 0.00 0.00 0.00 36.38 34.45 3gxl s VAL 79 CO -0.00 0.58 0.35 -0.94 0.00 0.00 0.00 175.10 175.08 3gxl s SER 80 N -0.46 1.10 0.86 3.32 1.04 0.15 -0.65 113.70 119.06 3gxl s SER 80 Ca 0.05 -1.57 -0.11 0.00 0.48 0.00 0.00 55.95 54.80 3gxl s SER 80 Cb -0.11 0.58 0.12 0.00 0.10 0.00 0.00 66.02 66.70 3gxl s SER 80 CO 0.01 -1.13 1.17 -1.81 0.98 0.00 0.00 173.24 172.46 3gxl s ASP 81 N -3.28 3.24 -0.12 7.02 1.01 -0.53 -0.86 116.67 123.15 3gxl s ASP 81 Ca 0.36 2.25 0.00 0.00 0.71 0.00 0.00 52.55 55.87 3gxl s ASP 81 Cb 0.02 -2.57 -0.02 0.00 1.01 0.00 0.00 42.92 41.36 3gxl s ASP 81 CO 0.22 -2.89 -0.13 -0.47 0.21 0.00 0.00 175.17 172.11 3gxl s TYR 82 N -2.45 2.81 -0.22 4.23 5.04 -1.26 -3.86 117.35 121.64 3gxl s TYR 82 Ca 0.69 -0.59 0.01 0.00 -2.44 0.00 0.00 57.07 54.74 3gxl s TYR 82 Cb -0.25 -1.83 0.05 0.00 0.35 0.00 0.00 41.96 40.28 3gxl s TYR 82 CO 0.55 -0.17 -0.08 -1.01 -1.34 0.00 0.00 175.55 173.50 3gxl s HIS 83 N 0.25 2.44 0.33 4.97 3.76 -1.26 -4.97 115.29 120.81 3gxl s HIS 83 Ca -0.09 -1.69 0.10 0.00 -0.15 0.00 0.00 55.06 53.23 3gxl s HIS 83 Cb -0.15 -1.62 0.87 0.00 1.11 0.00 0.00 32.58 32.78 3gxl s HIS 83 CO 0.05 -0.76 1.76 1.49 -0.85 0.00 0.00 174.74 176.44 3gxl h GLU 84 N 7.96 0.61 0.00 1.40 4.81 -1.97 -1.03 114.58 126.35 3gxl h GLU 84 Ca -0.23 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 58.94 3gxl h GLU 84 Cb 1.08 -0.14 -0.00 0.00 0.63 0.00 0.00 28.75 30.32 3gxl h GLU 84 CO 0.45 0.40 -0.11 0.45 -0.73 0.00 0.00 179.01 179.47 3gxl h HIS 85 N 0.63 0.00 0.00 0.92 3.86 -1.93 -3.48 115.15 115.14 3gxl h HIS 85 Ca 0.60 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.81 3gxl h HIS 85 Cb 1.12 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.59 3gxl h HIS 85 CO -0.00 0.11 0.00 0.41 0.86 0.00 0.00 177.93 179.30 3gxl n GLY 86 N -0.79 0.49 3.76 2.45 0.00 -0.39 -4.47 105.19 106.23 3gxl n GLY 86 Ca -0.02 -0.88 -0.33 0.00 0.00 0.00 0.00 46.02 44.80 3gxl n GLY 86 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3gxl s SER 87 N -4.00 4.68 0.28 1.61 1.04 -1.26 -1.23 113.70 114.82 3gxl s SER 87 Ca 0.00 2.02 -0.00 0.00 0.48 0.00 0.00 55.95 58.44 3gxl s SER 87 Cb 0.00 -2.55 0.40 0.00 0.10 0.00 0.00 66.02 63.97 3gxl s SER 87 CO 0.00 -1.92 1.80 0.25 0.98 0.00 0.00 173.24 174.35 3gxl h LEU 88 N -0.44 0.70 -0.01 2.42 5.85 0.02 -0.89 115.31 122.96 3gxl h LEU 88 Ca -0.46 -0.15 0.03 0.00 0.84 0.00 0.00 57.88 58.14 3gxl h LEU 88 Cb 1.25 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 42.05 3gxl h LEU 88 CO 0.52 0.76 -0.23 0.15 -0.34 0.00 0.00 178.44 179.30 3gxl h PHE 89 N 0.70 -0.61 -0.62 1.25 3.57 -1.45 0.13 116.94 119.91 3gxl h PHE 89 Ca 0.14 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.65 3gxl h PHE 89 Cb 0.40 0.27 -0.03 0.00 2.79 0.00 0.00 35.95 39.38 3gxl h PHE 89 CO 0.02 -0.32 0.35 -0.44 -2.23 0.00 0.00 178.31 175.69 3gxl h ASP 90 N -0.35 0.77 -0.21 0.41 5.19 -1.77 -2.36 116.42 118.10 3gxl h ASP 90 Ca 0.06 -0.08 0.02 0.00 -0.62 0.00 0.00 57.03 56.41 3gxl h ASP 90 Cb 0.44 -0.20 -0.02 0.00 0.18 0.00 0.00 39.33 39.74 3gxl h ASP 90 CO -0.21 0.63 0.09 0.22 -3.12 0.00 0.00 179.24 176.85 3gxl h TYR 91 N 0.85 0.16 0.00 4.55 3.20 -0.67 -1.38 116.97 123.68 3gxl h TYR 91 Ca 0.22 0.01 -0.05 0.00 3.14 0.00 0.00 58.73 62.05 3gxl h TYR 91 Cb 0.02 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.24 3gxl h TYR 91 CO -0.01 0.09 -0.24 -0.07 -1.64 0.00 0.00 178.16 176.29 3gxl h LEU 92 N 0.20 0.00 -0.13 2.82 3.38 -0.65 -0.10 115.31 120.83 3gxl h LEU 92 Ca 0.09 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.82 3gxl h LEU 92 Cb 0.04 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.80 3gxl h LEU 92 CO -0.07 0.24 -0.96 0.78 0.09 0.00 0.00 178.44 178.51 3gxl h ASN 93 N 0.00 0.67 0.90 -0.43 4.21 -1.05 -3.34 115.58 116.54 3gxl h ASN 93 Ca -0.00 -0.53 -0.22 0.00 1.21 0.00 0.00 56.30 56.76 3gxl h ASN 93 Cb 0.64 -0.20 -0.03 0.00 -1.12 0.00 0.00 38.32 37.60 3gxl h ASN 93 CO 0.03 1.33 -1.16 -0.09 -1.29 0.00 0.00 177.43 176.25 3gxl h ARG 94 N 0.30 0.00 -4.98 0.81 2.43 -0.93 -3.48 114.38 108.52 3gxl h ARG 94 Ca -0.09 0.00 -0.36 0.00 -0.81 0.00 0.00 59.98 58.72 3gxl h ARG 94 Cb 1.60 0.00 -0.14 0.00 -0.42 0.00 0.00 29.97 31.01 3gxl h ARG 94 CO 0.18 0.81 -0.65 0.71 -1.51 0.00 0.00 179.97 179.51 3gxl s TYR 95 N -2.71 1.50 0.31 2.20 2.02 -0.08 -5.10 117.35 115.49 3gxl s TYR 95 Ca -0.00 -1.01 0.09 0.00 -0.37 0.00 0.00 57.07 55.78 3gxl s TYR 95 Cb 0.09 -0.88 -0.04 0.00 -0.40 0.00 0.00 41.96 40.73 3gxl s TYR 95 CO 0.82 -0.14 0.09 0.95 -1.57 0.00 0.00 175.55 175.69 3gxl s THR 96 N -3.54 3.28 0.17 -0.71 -4.23 -1.26 -4.57 115.64 104.77 3gxl s THR 96 Ca 0.30 -1.76 0.06 0.00 -1.18 0.00 0.00 61.69 59.12 3gxl s THR 96 Cb 0.06 -2.96 -0.04 0.00 1.34 0.00 0.00 72.50 70.90 3gxl s THR 96 CO 0.09 -0.27 -0.13 0.68 -0.54 0.00 0.00 174.62 174.45 3gxl s VAL 97 N -2.37 1.49 0.77 2.29 -7.23 0.12 -4.93 120.40 110.54 3gxl s VAL 97 Ca 0.35 -2.04 -0.10 0.00 -1.81 0.00 0.00 61.98 58.38 3gxl s VAL 97 Cb -0.04 -1.86 0.07 0.00 0.56 0.00 0.00 36.38 35.11 3gxl s VAL 97 CO 0.22 -0.58 1.13 0.42 -0.31 0.00 0.00 175.10 175.97 3gxl s THR 98 N -2.83 2.13 0.17 5.32 -4.23 -1.26 -0.19 115.64 114.75 3gxl s THR 98 Ca 0.17 -0.07 -0.14 0.00 -1.18 0.00 0.00 61.69 60.47 3gxl s THR 98 Cb -0.01 -3.01 0.06 0.00 1.34 0.00 0.00 72.50 70.87 3gxl s THR 98 CO 0.04 -0.02 1.80 0.58 -0.54 0.00 0.00 174.62 176.49 3gxl h VAL 99 N -0.91 1.03 -0.77 2.29 2.07 -1.96 0.39 116.25 118.40 3gxl h VAL 99 Ca -0.45 -0.19 -0.03 0.00 0.82 0.00 0.00 66.70 66.84 3gxl h VAL 99 Cb 1.32 0.43 -0.04 0.00 -1.52 0.00 0.00 31.29 31.49 3gxl h VAL 99 CO 0.64 0.10 0.35 -0.08 0.02 0.00 0.00 177.57 178.60 3gxl h GLU 100 N 0.55 1.11 -0.29 1.57 4.81 -1.99 -1.41 114.58 118.93 3gxl h GLU 100 Ca 0.20 -0.17 -0.10 0.00 -0.13 0.00 0.00 59.36 59.15 3gxl h GLU 100 Cb 0.04 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.21 3gxl h GLU 100 CO -0.10 0.87 -0.25 0.78 -0.73 0.00 0.00 179.01 179.59 3gxl h GLY 101 N 1.13 0.60 0.78 1.92 0.00 -1.72 -0.97 103.07 104.82 3gxl h GLY 101 Ca 0.26 -0.50 -0.03 0.00 0.00 0.00 0.00 47.33 47.06 3gxl h GLY 101 CO -0.03 0.46 -0.01 1.98 0.00 0.00 0.00 176.54 178.93 3gxl h MET 102 N 0.49 0.29 -0.77 4.80 1.85 -0.50 -1.73 114.93 119.37 3gxl h MET 102 Ca 0.07 -0.10 0.02 0.00 -0.61 0.00 0.00 59.70 59.09 3gxl h MET 102 Cb 0.69 -0.02 -0.04 0.00 0.43 0.00 0.00 31.60 32.65 3gxl h MET 102 CO 0.05 0.53 0.49 0.82 -0.40 0.00 0.00 176.91 178.41 3gxl h ILE 103 N 0.02 1.14 -0.67 1.77 2.04 -1.10 -0.76 117.51 119.95 3gxl h ILE 103 Ca 0.04 -0.33 -0.02 0.00 1.00 0.00 0.00 64.86 65.55 3gxl h ILE 103 Cb 0.41 0.08 -0.03 0.00 -0.74 0.00 0.00 36.82 36.54 3gxl h ILE 103 CO 0.01 0.18 0.33 0.11 0.00 0.00 0.00 178.15 178.78 3gxl h LYS 104 N 0.98 0.95 -0.31 2.37 1.57 -1.02 0.18 116.57 121.29 3gxl h LYS 104 Ca 0.30 -0.13 -0.07 0.00 -1.87 0.00 0.00 60.65 58.87 3gxl h LYS 104 Cb -0.03 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.10 3gxl h LYS 104 CO -0.10 0.74 -0.09 -0.07 -0.57 0.00 0.00 179.45 179.36 3gxl h LEU 105 N 0.92 0.62 -0.18 2.94 3.38 -0.85 -1.85 115.31 120.28 3gxl h LEU 105 Ca 0.23 -0.38 -0.06 0.00 0.09 0.00 0.00 57.88 57.76 3gxl h LEU 105 Cb 0.10 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.67 3gxl h LEU 105 CO -0.03 0.85 -0.12 0.00 0.09 0.00 0.00 178.44 179.24 3gxl h ALA 106 N 0.79 0.26 -0.33 1.53 0.00 -1.00 -2.39 119.26 118.12 3gxl h ALA 106 Ca 0.08 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 3gxl h ALA 106 Cb 0.59 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 3gxl h ALA 106 CO 0.03 0.11 0.18 1.25 0.00 0.00 0.00 179.25 180.82 3gxl h LEU 107 N 0.08 0.42 -0.96 0.00 5.85 -0.68 -1.02 115.31 119.00 3gxl h LEU 107 Ca 0.04 -0.10 -0.03 0.00 0.84 0.00 0.00 57.88 58.63 3gxl h LEU 107 Cb 0.62 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.50 3gxl h LEU 107 CO 0.03 0.40 0.36 0.77 -0.34 0.00 0.00 178.44 179.66 3gxl h SER 108 N 0.41 1.00 -0.37 1.25 4.64 -1.36 0.25 113.55 119.37 3gxl h SER 108 Ca 0.12 -0.12 -0.06 0.00 -0.47 0.00 0.00 61.79 61.25 3gxl h SER 108 Cb 0.08 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 61.90 3gxl h SER 108 CO -0.02 0.85 -0.01 0.74 -0.87 0.00 0.00 176.83 177.52 3gxl h THR 109 N 1.09 1.26 -0.56 2.95 2.02 -1.21 -1.15 112.91 117.31 3gxl h THR 109 Ca 0.26 -1.02 -0.06 0.00 0.77 0.00 0.00 66.41 66.37 3gxl h THR 109 Cb 0.12 1.19 -0.03 0.00 -1.74 0.00 0.00 68.15 67.69 3gxl h THR 109 CO -0.03 0.34 0.12 0.00 0.37 0.00 0.00 175.52 176.32 3gxl h ALA 110 N 0.86 1.16 -0.46 6.16 0.00 -0.72 -1.03 119.26 125.24 3gxl h ALA 110 Ca 0.10 -0.22 -0.09 0.00 0.00 0.00 0.00 54.91 54.71 3gxl h ALA 110 Cb 0.49 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 3gxl h ALA 110 CO 0.02 0.56 -0.07 0.77 0.00 0.00 0.00 179.25 180.54 3gxl h SER 111 N 0.83 0.78 -0.33 0.00 0.02 -0.26 -0.12 113.55 114.47 3gxl h SER 111 Ca 0.18 -0.22 -0.18 0.00 -0.84 0.00 0.00 61.79 60.73 3gxl h SER 111 Cb 0.32 -0.21 -0.00 0.00 0.14 0.00 0.00 62.40 62.65 3gxl h SER 111 CO 0.00 0.89 -0.49 1.23 -1.14 0.00 0.00 176.83 177.32 3gxl h GLY 112 N 0.98 0.99 1.43 -3.77 0.00 -0.69 -2.06 103.07 99.96 3gxl h GLY 112 Ca 0.13 -1.10 -0.15 0.00 0.00 0.00 0.00 47.33 46.20 3gxl h GLY 112 CO 0.03 0.99 -0.48 -2.00 0.00 0.00 0.00 176.54 175.08 3gxl h LEU 113 N 0.71 0.66 -0.76 3.11 5.85 -1.04 -1.58 115.31 122.26 3gxl h LEU 113 Ca 0.03 -0.33 -0.05 0.00 0.84 0.00 0.00 57.88 58.37 3gxl h LEU 113 Cb 1.09 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.90 3gxl h LEU 113 CO 0.11 1.04 0.27 0.00 -0.34 0.00 0.00 178.44 179.52 3gxl h ALA 114 N 0.98 1.00 -0.26 1.25 0.00 -0.97 0.78 119.26 122.04 3gxl h ALA 114 Ca 0.02 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 3gxl h ALA 114 Cb 1.02 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 3gxl h ALA 114 CO 0.10 0.66 0.12 1.25 0.00 0.00 0.00 179.25 181.38 3gxl h HIS 115 N 1.13 0.38 -0.07 0.00 -0.00 -1.18 0.56 115.15 115.97 3gxl h HIS 115 Ca 0.25 -0.02 0.02 0.00 -0.00 0.00 0.00 60.37 60.62 3gxl h HIS 115 Cb 0.27 -0.12 -0.02 0.00 -0.00 0.00 0.00 27.41 27.55 3gxl h HIS 115 CO 0.02 0.37 -0.04 -0.07 -0.00 0.00 0.00 177.93 178.21 3gxl h LEU 116 N 0.29 -0.13 -1.58 0.26 3.38 -0.75 -2.80 115.31 113.98 3gxl h LEU 116 Ca 0.09 0.03 -0.05 0.00 0.09 0.00 0.00 57.88 58.05 3gxl h LEU 116 Cb 0.13 0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 3gxl h LEU 116 CO -0.01 -0.06 -0.22 0.45 0.09 0.00 0.00 178.44 178.69 3gxl h HIS 117 N -0.04 0.00 -3.19 1.13 3.86 -0.70 0.24 115.15 116.46 3gxl h HIS 117 Ca 0.04 0.00 -0.56 0.00 -1.16 0.00 0.00 60.37 58.70 3gxl h HIS 117 Cb 0.10 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.54 3gxl h HIS 117 CO -0.15 0.22 0.63 1.41 0.86 0.00 0.00 177.93 180.90 3gxl s MET 118 N -4.17 4.39 0.02 2.45 -2.45 0.17 -4.31 119.30 115.40 3gxl s MET 118 Ca -0.02 1.49 -0.25 0.00 -1.25 0.00 0.00 55.69 55.65 3gxl s MET 118 Cb 0.13 -3.55 -0.05 0.00 1.25 0.00 0.00 34.83 32.61 3gxl s MET 118 CO 0.65 -0.38 0.79 -2.00 1.05 0.00 0.00 175.02 175.13 3gxl s GLU 119 N 2.14 4.50 -0.35 4.11 2.12 -1.26 -4.40 118.70 125.56 3gxl s GLU 119 Ca 0.51 1.08 -0.06 0.00 0.36 0.00 0.00 54.97 56.86 3gxl s GLU 119 Cb -0.20 -3.39 0.05 0.00 0.26 0.00 0.00 34.13 30.85 3gxl s GLU 119 CO 0.19 0.20 0.13 0.42 -0.54 0.00 0.00 175.26 175.65 3gxl s ILE 120 N 0.25 3.73 0.25 -3.70 1.01 0.14 -4.95 121.20 117.93 3gxl s ILE 120 Ca 0.40 -1.29 -0.30 0.00 0.00 0.00 0.00 60.65 59.47 3gxl s ILE 120 Cb -0.20 -3.18 -0.09 0.00 0.01 0.00 0.00 42.46 39.00 3gxl s ILE 120 CO 0.23 -0.27 1.02 -0.69 0.00 0.00 0.00 174.94 175.23 3gxl s VAL 121 N 1.37 3.80 0.00 2.92 1.01 -1.26 -0.65 120.40 127.58 3gxl s VAL 121 Ca -0.00 1.79 0.00 0.00 0.00 0.00 0.00 61.98 63.77 3gxl s VAL 121 Cb -0.20 -4.14 0.00 0.00 0.00 0.00 0.00 36.38 32.03 3gxl s VAL 121 CO 0.02 0.42 0.00 0.61 0.00 0.00 0.00 175.10 176.15 3gxl n GLY 122 N 1.39 0.93 0.31 4.51 0.00 -1.26 -4.79 105.19 106.28 3gxl n GLY 122 Ca -0.01 -1.46 -0.03 0.00 0.00 0.00 0.00 46.02 44.52 3gxl n GLY 122 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3gxl h THR 123 N 3.29 1.22 -1.80 2.61 1.35 -2.06 -2.17 112.91 115.35 3gxl h THR 123 Ca 0.00 -0.79 -0.68 0.00 -0.55 0.00 0.00 66.41 64.38 3gxl h THR 123 Cb 0.00 0.63 -0.34 0.00 -1.73 0.00 0.00 68.15 66.71 3gxl h THR 123 CO 0.00 0.30 0.21 0.00 -0.25 0.00 0.00 175.52 175.78 3gxl n GLN 124 N -4.28 3.15 -1.71 4.72 1.13 -1.26 -5.04 117.38 114.08 3gxl n GLN 124 Ca 0.04 -4.04 -0.31 0.00 -1.94 0.00 0.00 57.00 50.76 3gxl n GLN 124 Cb 0.22 -2.27 0.04 0.00 0.11 0.00 0.00 30.24 28.34 3gxl n GLN 124 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 3gxl s GLY 125 N -2.27 1.65 -0.12 1.08 0.00 -0.82 -4.62 107.32 102.23 3gxl s GLY 125 Ca 0.50 -0.08 0.02 0.00 0.00 0.00 0.00 44.72 45.15 3gxl s GLY 125 CO -0.30 0.24 -0.18 1.25 0.00 0.00 0.00 173.10 174.11 3gxl s LYS 126 N -5.15 3.22 0.67 2.90 2.20 0.17 -4.66 119.74 119.09 3gxl s LYS 126 Ca 0.58 -0.78 -0.11 0.00 -0.36 0.00 0.00 55.97 55.29 3gxl s LYS 126 Cb -0.13 -2.48 -0.01 0.00 -1.51 0.00 0.00 37.83 33.71 3gxl s LYS 126 CO 0.54 0.18 1.05 -1.25 -0.36 0.00 0.00 175.35 175.51 3gxl s PRO 127 N 0.38 3.18 0.42 4.03 0.04 -1.26 0.27 135.00 142.05 3gxl s PRO 127 Ca -0.14 0.90 -0.25 0.00 0.04 0.00 0.00 61.00 61.55 3gxl s PRO 127 Cb -0.17 -2.02 -0.08 0.00 0.04 0.00 0.00 34.50 32.27 3gxl s PRO 127 CO 0.07 -0.91 1.17 0.00 0.04 0.00 0.00 177.00 177.37 3gxl s ALA 128 N -3.06 3.11 -0.02 8.56 0.00 -1.26 -4.65 121.76 124.43 3gxl s ALA 128 Ca 0.57 0.97 0.02 0.00 0.00 0.00 0.00 51.96 53.52 3gxl s ALA 128 Cb -0.13 -3.39 0.01 0.00 0.00 0.00 0.00 23.12 19.61 3gxl s ALA 128 CO 0.54 -0.58 -0.06 0.42 0.00 0.00 0.00 175.76 176.08 3gxl s ILE 129 N -1.45 0.56 -0.12 0.00 1.01 0.86 -0.94 121.20 121.12 3gxl s ILE 129 Ca 0.59 -0.22 -0.02 0.00 0.00 0.00 0.00 60.65 61.00 3gxl s ILE 129 Cb -0.30 -0.52 -0.03 0.00 0.01 0.00 0.00 42.46 41.62 3gxl s ILE 129 CO 0.38 0.19 -0.06 0.00 0.00 0.00 0.00 174.94 175.45 3gxl s ALA 130 N 0.35 2.97 -0.04 9.38 0.00 -0.55 -3.06 121.76 130.81 3gxl s ALA 130 Ca -0.05 -0.85 -0.23 0.00 0.00 0.00 0.00 51.96 50.83 3gxl s ALA 130 Cb -0.09 -1.39 -0.17 0.00 0.00 0.00 0.00 23.12 21.47 3gxl s ALA 130 CO 0.00 0.37 1.02 1.25 0.00 0.00 0.00 175.76 178.40 3gxl h HIS 131 N 6.07 -0.18 0.00 0.00 2.76 -1.88 -1.08 115.15 120.84 3gxl h HIS 131 Ca -0.38 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 57.78 3gxl h HIS 131 Cb 1.19 0.06 0.00 0.00 1.55 0.00 0.00 27.41 30.21 3gxl h HIS 131 CO 0.55 0.26 0.00 0.54 -1.30 0.00 0.00 177.93 177.98 3gxl n ARG 132 N -4.94 -0.05 -2.59 5.26 1.74 -1.26 -3.11 116.66 111.71 3gxl n ARG 132 Ca -0.08 0.01 -0.02 0.00 -0.77 0.00 0.00 57.85 56.99 3gxl n ARG 132 Cb 0.27 -2.89 0.11 0.00 -1.02 0.00 0.00 32.46 28.93 3gxl n ARG 132 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3gxl n ASP 133 N -0.03 -1.10 -4.73 0.55 2.03 -1.26 -4.62 116.55 107.39 3gxl n ASP 133 Ca 0.00 -2.19 -0.41 0.00 0.52 0.00 0.00 54.79 52.71 3gxl n ASP 133 Cb 0.01 0.54 -0.03 0.00 -0.72 0.00 0.00 41.12 40.92 3gxl n ASP 133 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 3gxl s LEU 134 N -3.84 4.42 0.22 -2.67 2.96 -1.26 -4.88 118.68 113.64 3gxl s LEU 134 Ca 0.11 2.22 -0.22 0.00 -0.22 0.00 0.00 54.13 56.01 3gxl s LEU 134 Cb 0.41 -3.60 0.04 0.00 0.50 0.00 0.00 46.19 43.54 3gxl s LEU 134 CO -0.11 -0.43 0.72 -1.59 -1.32 0.00 0.00 176.35 173.61 3gxl s LYS 135 N 0.16 1.54 0.59 1.98 -2.85 -1.26 -4.80 119.74 115.11 3gxl s LYS 135 Ca 0.55 -0.78 0.37 0.00 -1.00 0.00 0.00 55.97 55.11 3gxl s LYS 135 Cb -0.33 0.57 1.80 0.00 -2.06 0.00 0.00 37.83 37.81 3gxl s LYS 135 CO 0.35 -0.70 2.15 0.66 0.10 0.00 0.00 175.35 177.91 3gxl h SER 136 N 2.00 0.00 0.98 0.03 4.64 -1.94 -2.72 113.55 116.53 3gxl h SER 136 Ca -0.24 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.08 3gxl h SER 136 Cb 1.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 3gxl h SER 136 CO 0.28 0.02 0.00 0.29 -0.87 0.00 0.00 176.83 176.55 3gxl n LYS 137 N -3.18 0.04 -0.15 4.77 5.02 -1.26 -1.34 118.16 122.05 3gxl n LYS 137 Ca -0.01 0.07 0.08 0.00 -2.02 0.00 0.00 58.31 56.42 3gxl n LYS 137 Cb 0.20 -1.54 0.11 0.00 -0.02 0.00 0.00 35.03 33.77 3gxl n LYS 137 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 3gxl n ASN 138 N -1.61 1.84 -4.52 4.39 0.23 -1.03 -4.85 115.26 109.72 3gxl n ASN 138 Ca 0.06 -2.81 -0.34 0.00 -0.53 0.00 0.00 54.58 50.96 3gxl n ASN 138 Cb 0.32 -0.36 -0.12 0.00 -2.08 0.00 0.00 39.78 37.54 3gxl n ASN 138 CO 0.00 0.00 0.00 -0.63 -0.93 0.00 0.00 177.26 175.70 3gxl s ILE 139 N -2.21 3.74 0.09 1.53 1.01 -1.22 -0.07 121.20 124.07 3gxl s ILE 139 Ca 0.24 -0.43 0.06 0.00 0.00 0.00 0.00 60.65 60.51 3gxl s ILE 139 Cb 0.21 -2.59 -0.04 0.00 0.01 0.00 0.00 42.46 40.05 3gxl s ILE 139 CO 0.02 0.54 -0.05 -0.76 0.00 0.00 0.00 174.94 174.69 3gxl s LEU 140 N -0.09 3.27 -0.24 2.97 1.43 0.47 0.23 118.68 126.73 3gxl s LEU 140 Ca 0.01 -0.26 -0.08 0.00 -1.03 0.00 0.00 54.13 52.78 3gxl s LEU 140 Cb -0.13 -2.02 -0.03 0.00 0.03 0.00 0.00 46.19 44.03 3gxl s LEU 140 CO 0.03 0.19 0.08 -0.69 0.23 0.00 0.00 176.35 176.18 3gxl s VAL 141 N -1.25 4.51 0.71 -1.59 1.01 -0.36 -0.84 120.40 122.60 3gxl s VAL 141 Ca 0.23 -0.11 -0.10 0.00 0.00 0.00 0.00 61.98 62.00 3gxl s VAL 141 Cb -0.11 -3.10 0.03 0.00 0.00 0.00 0.00 36.38 33.20 3gxl s VAL 141 CO 0.16 0.36 1.07 -0.54 0.00 0.00 0.00 175.10 176.14 3gxl s LYS 142 N 1.34 2.59 0.58 2.72 1.02 0.51 -4.13 119.74 124.37 3gxl s LYS 142 Ca 0.05 0.21 0.28 0.00 0.02 0.00 0.00 55.97 56.53 3gxl s LYS 142 Cb -0.15 -2.07 1.72 0.00 -0.52 0.00 0.00 37.83 36.81 3gxl s LYS 142 CO 0.04 -1.12 2.21 -0.22 -0.92 0.00 0.00 175.35 175.33 3gxl h LYS 143 N -0.65 0.00 -0.57 1.68 3.64 -1.97 -2.02 116.57 116.68 3gxl h LYS 143 Ca -0.45 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.93 3gxl h LYS 143 Cb 1.28 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.10 3gxl h LYS 143 CO 0.63 0.00 0.00 0.27 -2.27 0.00 0.00 179.45 178.08 3gxl n ASN 144 N -3.92 2.58 0.00 4.20 6.94 -1.26 -4.90 115.26 118.89 3gxl n ASN 144 Ca -0.02 -2.22 0.00 0.00 -0.02 0.00 0.00 54.58 52.32 3gxl n ASN 144 Cb 0.14 -0.41 0.00 0.00 -2.36 0.00 0.00 39.78 37.15 3gxl n ASN 144 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3gxl n GLY 145 N 0.69 0.62 3.80 4.83 0.00 -0.76 -5.04 105.19 109.33 3gxl n GLY 145 Ca 0.13 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.93 3gxl n GLY 145 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3gxl s THR 146 N -2.45 4.25 0.27 2.61 -4.23 -1.26 -4.08 115.64 110.74 3gxl s THR 146 Ca 0.00 -1.47 0.06 0.00 -1.18 0.00 0.00 61.69 59.11 3gxl s THR 146 Cb 0.00 -3.32 -0.03 0.00 1.34 0.00 0.00 72.50 70.50 3gxl s THR 146 CO 0.00 -0.34 0.31 0.00 -0.54 0.00 0.00 174.62 174.06 3gxl s ILE 149 N 0.84 4.48 0.03 0.00 1.01 0.21 -0.39 121.20 127.38 3gxl s ILE 149 Ca -0.06 2.06 0.00 0.00 0.00 0.00 0.00 60.65 62.65 3gxl s ILE 149 Cb -0.08 -4.32 0.00 0.00 0.01 0.00 0.00 42.46 38.07 3gxl s ILE 149 CO -0.05 0.33 0.01 0.00 0.00 0.00 0.00 174.94 175.23 3gxl n ALA 150 N 2.71 0.03 -2.45 9.38 0.00 0.89 -0.91 120.51 130.17 3gxl n ALA 150 Ca 0.02 -0.14 -0.08 0.00 0.00 0.00 0.00 53.44 53.23 3gxl n ALA 150 Cb 0.49 0.07 0.01 0.00 0.00 0.00 0.00 19.45 20.02 3gxl n ALA 150 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3gxl n ASP 151 N -1.31 -4.23 -1.47 0.00 3.85 -1.26 -4.87 116.55 107.26 3gxl n ASP 151 Ca -0.01 0.15 0.09 0.00 -0.71 0.00 0.00 54.79 54.31 3gxl n ASP 151 Cb 0.04 -1.07 0.34 0.00 -1.35 0.00 0.00 41.12 39.08 3gxl n ASP 151 CO 0.00 0.00 0.00 0.18 -1.01 0.00 0.00 177.20 176.37 3gxl n LEU 152 N 0.67 4.67 0.30 -2.12 4.77 -1.26 -4.62 117.00 119.41 3gxl n LEU 152 Ca -0.02 -2.56 0.16 0.00 -0.03 0.00 0.00 56.01 53.56 3gxl n LEU 152 Cb 0.38 -0.56 0.92 0.00 -2.33 0.00 0.00 43.42 41.83 3gxl n LEU 152 CO 0.12 0.76 1.09 1.23 -1.33 0.00 0.00 177.39 179.26 3gxl h GLY 153 N 3.62 0.00 -1.99 -0.72 0.00 -1.89 -2.11 103.07 99.98 3gxl h GLY 153 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3gxl h GLY 153 CO 0.25 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.83 3gxl n LEU 154 N -3.55 3.22 -4.71 3.11 4.77 -1.26 -4.53 117.00 114.04 3gxl n LEU 154 Ca -0.02 -1.55 -0.34 0.00 -0.03 0.00 0.00 56.01 54.07 3gxl n LEU 154 Cb 0.14 -0.23 0.11 0.00 -2.33 0.00 0.00 43.42 41.11 3gxl n LEU 154 CO 0.26 0.71 0.77 0.00 -1.33 0.00 0.00 177.39 177.81 3gxl s ALA 155 N -1.30 1.99 -0.02 -1.18 0.00 -0.80 -4.69 121.76 115.76 3gxl s ALA 155 Ca 0.34 0.81 0.06 0.00 0.00 0.00 0.00 51.96 53.17 3gxl s ALA 155 Cb 0.19 -3.46 -0.01 0.00 0.00 0.00 0.00 23.12 19.84 3gxl s ALA 155 CO 0.27 -2.07 -0.19 0.14 0.00 0.00 0.00 175.76 173.91 3gxl s VAL 156 N -2.14 1.53 -0.06 0.00 -7.23 -0.41 -4.97 120.40 107.12 3gxl s VAL 156 Ca 0.73 -0.82 0.00 0.00 -1.81 0.00 0.00 61.98 60.07 3gxl s VAL 156 Cb -0.28 -1.28 -0.03 0.00 0.56 0.00 0.00 36.38 35.35 3gxl s VAL 156 CO 0.48 0.43 -0.03 -0.13 -0.31 0.00 0.00 175.10 175.55 3gxl s ARG 157 N -0.40 2.83 -0.17 4.82 0.52 -1.26 -1.49 118.95 123.80 3gxl s ARG 157 Ca 0.06 -0.51 -0.09 0.00 -0.52 0.00 0.00 55.73 54.67 3gxl s ARG 157 Cb -0.08 -2.68 -0.05 0.00 0.52 0.00 0.00 34.95 32.67 3gxl s ARG 157 CO -0.00 0.67 0.12 -1.58 0.02 0.00 0.00 175.30 174.53 3gxl s HIS 158 N -0.89 3.43 -0.53 -0.53 5.65 -0.11 -2.05 115.29 120.25 3gxl s HIS 158 Ca 0.14 0.34 -0.10 0.00 0.25 0.00 0.00 55.06 55.69 3gxl s HIS 158 Cb -0.11 -2.08 0.14 0.00 -1.18 0.00 0.00 32.58 29.35 3gxl s HIS 158 CO 0.03 0.40 0.41 0.34 -0.65 0.00 0.00 174.74 175.28 3gxl s ASP 159 N -0.06 5.81 0.55 9.88 2.15 -0.18 -4.03 116.67 130.80 3gxl s ASP 159 Ca 0.09 -2.08 0.23 0.00 0.43 0.00 0.00 52.55 51.22 3gxl s ASP 159 Cb -0.11 -2.03 1.51 0.00 -0.30 0.00 0.00 42.92 41.98 3gxl s ASP 159 CO 0.00 -0.66 2.15 0.77 -0.17 0.00 0.00 175.17 177.25 3gxl h SER 160 N 8.27 0.00 0.37 -0.34 4.64 -1.97 0.26 113.55 124.79 3gxl h SER 160 Ca -0.17 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.13 3gxl h SER 160 Cb 1.06 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.15 3gxl h SER 160 CO 0.85 0.00 -0.13 0.00 -0.87 0.00 0.00 176.83 176.68 3gxl h ALA 161 N 1.91 1.30 0.00 5.18 0.00 -1.96 -3.23 119.26 122.46 3gxl h ALA 161 Ca 0.05 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3gxl h ALA 161 Cb 0.24 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.01 3gxl h ALA 161 CO -0.00 0.16 0.00 0.25 0.00 0.00 0.00 179.25 179.66 3gxl n THR 162 N -3.68 0.00 -3.57 0.00 -2.24 -0.86 -5.02 114.28 98.90 3gxl n THR 162 Ca -0.02 -0.32 -0.19 0.00 -2.27 0.00 0.00 64.05 61.25 3gxl n THR 162 Cb 0.25 1.14 0.06 0.00 -2.10 0.00 0.00 70.33 69.68 3gxl n THR 162 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3gxl n ASP 163 N -0.39 -1.81 -4.24 3.42 2.03 0.85 -5.01 116.55 111.41 3gxl n ASP 163 Ca 0.00 -0.74 -0.16 0.00 0.52 0.00 0.00 54.79 54.41 3gxl n ASP 163 Cb 0.04 -4.52 -0.11 0.00 -0.72 0.00 0.00 41.12 35.81 3gxl n ASP 163 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 3gxl s THR 164 N -3.53 1.23 0.29 5.18 -4.23 -1.14 -4.86 115.64 108.57 3gxl s THR 164 Ca 0.03 -1.87 0.09 0.00 -1.18 0.00 0.00 61.69 58.76 3gxl s THR 164 Cb -0.01 -1.66 -0.04 0.00 1.34 0.00 0.00 72.50 72.14 3gxl s THR 164 CO 0.78 -0.58 0.08 0.27 -0.54 0.00 0.00 174.62 174.63 3gxl s ILE 165 N -2.69 3.53 -1.69 2.99 -4.36 -1.26 -1.01 121.20 116.70 3gxl s ILE 165 Ca 0.12 -1.74 0.19 0.00 -0.26 0.00 0.00 60.65 58.96 3gxl s ILE 165 Cb -0.01 -3.00 0.63 0.00 1.25 0.00 0.00 42.46 41.32 3gxl s ILE 165 CO 0.02 -0.31 1.52 -0.90 0.24 0.00 0.00 174.94 175.51 3gxl n ASP 166 N -1.03 3.93 0.00 4.36 5.75 -0.87 -4.98 116.55 123.71 3gxl n ASP 166 Ca -0.06 -2.16 0.00 0.00 -0.01 0.00 0.00 54.79 52.57 3gxl n ASP 166 Cb 0.59 -0.49 0.00 0.00 -1.03 0.00 0.00 41.12 40.19 3gxl n ASP 166 CO 0.00 0.00 0.00 -1.14 -0.11 0.00 0.00 177.20 175.95 3gxl n ARG 172 N 1.31 0.00 -0.69 0.11 3.00 -1.26 -4.95 116.66 114.18 3gxl n ARG 172 Ca 0.23 0.00 -0.29 0.00 -0.00 0.00 0.00 57.85 57.79 3gxl n ARG 172 Cb 0.67 -1.18 0.22 0.00 0.00 0.00 0.00 32.46 32.18 3gxl n ARG 172 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.63 177.77 3gxl s VAL 173 N -1.96 2.08 0.00 5.15 -7.23 -1.26 -4.96 120.40 112.21 3gxl s VAL 173 Ca 0.00 0.03 0.00 0.00 -1.81 0.00 0.00 61.98 60.20 3gxl s VAL 173 Cb 0.00 -2.16 0.00 0.00 0.56 0.00 0.00 36.38 34.78 3gxl s VAL 173 CO 0.00 -0.03 0.00 0.61 -0.31 0.00 0.00 175.10 175.37 3gxl n GLY 174 N 0.35 2.06 3.63 2.32 0.00 -1.26 -4.99 105.19 107.31 3gxl n GLY 174 Ca 0.05 -2.17 -0.42 0.00 0.00 0.00 0.00 46.02 43.47 3gxl n GLY 174 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3gxl s THR 175 N -1.78 4.72 0.18 2.61 2.01 -1.26 -4.96 115.64 117.15 3gxl s THR 175 Ca 0.00 1.53 -0.23 0.00 0.31 0.00 0.00 61.69 63.30 3gxl s THR 175 Cb 0.00 -4.23 0.07 0.00 0.01 0.00 0.00 72.50 68.35 3gxl s THR 175 CO 0.00 -0.26 1.58 0.11 -0.69 0.00 0.00 174.62 175.36 3gxl h LYS 176 N 7.91 -0.19 -0.99 4.92 6.56 -1.94 -2.05 116.57 130.78 3gxl h LYS 176 Ca -0.22 0.01 0.24 0.00 -1.06 0.00 0.00 60.65 59.62 3gxl h LYS 176 Cb 1.08 0.04 -0.08 0.00 -0.57 0.00 0.00 32.23 32.71 3gxl h LYS 176 CO 0.93 -0.13 0.65 -0.09 -2.06 0.00 0.00 179.45 178.75 3gxl h ARG 177 N -0.20 0.36 -0.08 3.15 2.43 -1.92 -0.99 114.38 117.13 3gxl h ARG 177 Ca 0.20 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.35 3gxl h ARG 177 Cb 0.56 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.03 3gxl h ARG 177 CO -0.68 0.24 0.00 0.66 -1.51 0.00 0.00 179.97 178.68 3gxl n TYR 178 N -4.55 0.07 -1.85 2.20 4.01 -0.81 -4.98 117.16 111.26 3gxl n TYR 178 Ca 0.23 -0.04 -0.41 0.00 -0.16 0.00 0.00 57.90 57.52 3gxl n TYR 178 Cb 0.82 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.84 3gxl n TYR 178 CO 0.00 0.00 0.00 -1.64 -0.46 0.00 0.00 176.86 174.76 3gxl s MET 179 N -1.93 4.17 0.72 -0.72 -1.94 -0.38 -4.47 119.30 114.75 3gxl s MET 179 Ca 0.32 2.49 -0.14 0.00 -1.71 0.00 0.00 55.69 56.65 3gxl s MET 179 Cb 0.20 -3.06 0.03 0.00 2.01 0.00 0.00 34.83 34.02 3gxl s MET 179 CO 0.31 -0.57 1.15 0.00 -0.01 0.00 0.00 175.02 175.90 3gxl s ALA 180 N 0.06 2.22 0.24 3.03 0.00 -1.26 -4.73 121.76 121.31 3gxl s ALA 180 Ca 0.62 0.67 -0.05 0.00 0.00 0.00 0.00 51.96 53.20 3gxl s ALA 180 Cb -0.46 -3.39 0.42 0.00 0.00 0.00 0.00 23.12 19.69 3gxl s ALA 180 CO 0.46 -1.70 1.73 -1.35 0.00 0.00 0.00 175.76 174.90 3gxl h PRO 181 N -0.37 0.41 0.00 0.00 0.11 -1.92 0.71 132.00 130.95 3gxl h PRO 181 Ca -0.47 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.59 3gxl h PRO 181 Cb 1.27 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.28 3gxl h PRO 181 CO 0.51 0.27 -0.15 1.05 -0.21 0.00 0.00 178.00 179.47 3gxl h GLU 182 N 0.42 0.00 0.23 1.05 9.09 -1.91 -1.64 114.58 121.82 3gxl h GLU 182 Ca 0.39 0.00 -0.31 0.00 0.05 0.00 0.00 59.36 59.49 3gxl h GLU 182 Cb 0.58 0.00 0.04 0.00 -1.65 0.00 0.00 28.75 27.72 3gxl h GLU 182 CO -0.39 0.15 -1.35 0.28 0.05 0.00 0.00 179.01 177.75 3gxl h VAL 183 N 0.00 1.33 -0.76 -1.06 2.07 -1.29 -0.39 116.25 116.14 3gxl h VAL 183 Ca -0.00 -2.66 -0.02 0.00 0.82 0.00 0.00 66.70 64.84 3gxl h VAL 183 Cb 0.37 3.08 -0.04 0.00 -1.52 0.00 0.00 31.29 33.18 3gxl h VAL 183 CO 0.02 0.79 0.41 -0.07 0.02 0.00 0.00 177.57 178.74 3gxl h LEU 184 N 0.05 0.95 -2.79 2.57 3.38 -0.54 -2.50 115.31 116.42 3gxl h LEU 184 Ca -0.24 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.65 3gxl h LEU 184 Cb 2.07 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 42.58 3gxl h LEU 184 CO 0.25 0.77 0.00 -0.90 0.09 0.00 0.00 178.44 178.66 3gxl n ASP 185 N -4.35 4.06 -2.31 -0.43 5.68 -0.66 -4.86 116.55 113.68 3gxl n ASP 185 Ca 0.08 -2.05 -0.15 0.00 -0.50 0.00 0.00 54.79 52.17 3gxl n ASP 185 Cb 0.11 -0.50 -0.01 0.00 -1.14 0.00 0.00 41.12 39.57 3gxl n ASP 185 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 3gxl n ASP 186 N 1.60 -4.48 0.02 -1.12 2.03 -0.93 -4.85 116.55 108.83 3gxl n ASP 186 Ca 0.25 0.16 0.12 0.00 0.52 0.00 0.00 54.79 55.84 3gxl n ASP 186 Cb 0.65 -3.81 0.24 0.00 -0.72 0.00 0.00 41.12 37.48 3gxl n ASP 186 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 3gxl n SER 187 N -1.73 0.54 -4.77 1.67 3.41 -0.22 -4.92 113.62 107.60 3gxl n SER 187 Ca -0.18 -0.06 -0.41 0.00 -0.26 0.00 0.00 58.87 57.96 3gxl n SER 187 Cb 0.62 0.19 -0.01 0.00 -0.26 0.00 0.00 64.21 64.74 3gxl n SER 187 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 175.04 174.37 3gxl s ILE 188 N -3.07 2.44 -0.59 -1.33 2.07 -0.81 -4.95 121.20 114.96 3gxl s ILE 188 Ca 0.09 0.43 -0.26 0.00 -1.41 0.00 0.00 60.65 59.50 3gxl s ILE 188 Cb 0.16 -3.27 0.04 0.00 0.13 0.00 0.00 42.46 39.51 3gxl s ILE 188 CO 0.70 0.10 1.07 0.21 -1.91 0.00 0.00 174.94 175.11 3gxl s ASN 189 N -0.27 6.35 0.44 4.50 3.84 -1.26 -4.89 114.94 123.65 3gxl s ASN 189 Ca 0.51 -0.24 0.29 0.00 0.21 0.00 0.00 52.86 53.64 3gxl s ASN 189 Cb -0.43 -2.49 1.58 0.00 -0.55 0.00 0.00 41.25 39.36 3gxl s ASN 189 CO 0.56 -1.40 1.90 0.24 -2.79 0.00 0.00 177.10 175.61 3gxl h MET 190 N 9.49 0.00 -0.14 0.43 2.86 -1.97 -1.13 114.93 124.46 3gxl h MET 190 Ca -0.26 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.38 3gxl h MET 190 Cb 1.06 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.72 3gxl h MET 190 CO 1.15 0.00 0.00 1.63 1.06 0.00 0.00 176.91 180.75 3gxl n LYS 191 N -2.53 2.19 -3.71 1.72 5.02 -1.26 -4.80 118.16 114.79 3gxl n LYS 191 Ca -0.02 -1.75 -0.38 0.00 -2.02 0.00 0.00 58.31 54.15 3gxl n LYS 191 Cb 0.05 -1.47 -0.11 0.00 -0.02 0.00 0.00 35.03 33.49 3gxl n LYS 191 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 3gxl s HIS 192 N -1.84 3.52 0.24 2.13 2.46 -0.43 -4.87 115.29 116.50 3gxl s HIS 192 Ca 0.33 -2.20 -0.05 0.00 0.47 0.00 0.00 55.06 53.62 3gxl s HIS 192 Cb 0.21 -3.26 0.45 0.00 -0.13 0.00 0.00 32.58 29.85 3gxl s HIS 192 CO 0.31 -0.97 1.71 0.35 -2.47 0.00 0.00 174.74 173.67 3gxl h PHE 193 N 8.18 0.40 -0.57 3.88 3.57 -1.87 -0.14 116.94 130.41 3gxl h PHE 193 Ca -0.16 0.04 0.16 0.00 3.53 0.00 0.00 57.97 61.54 3gxl h PHE 193 Cb 1.06 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 39.71 3gxl h PHE 193 CO 0.58 -0.00 0.41 1.49 -2.23 0.00 0.00 178.31 178.56 3gxl h GLU 194 N 0.36 0.02 -0.51 1.11 4.57 -1.95 -0.16 114.58 118.02 3gxl h GLU 194 Ca 0.41 -0.00 -0.08 0.00 -1.18 0.00 0.00 59.36 58.50 3gxl h GLU 194 Cb 0.65 -0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.21 3gxl h GLU 194 CO -0.44 0.01 -0.02 0.77 -1.18 0.00 0.00 179.01 178.15 3gxl h SER 195 N 0.02 0.84 -0.36 1.04 0.02 -1.34 -1.44 113.55 112.34 3gxl h SER 195 Ca 0.27 -0.22 -0.14 0.00 -0.84 0.00 0.00 61.79 60.86 3gxl h SER 195 Cb 1.05 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 63.36 3gxl h SER 195 CO -0.01 0.92 -0.29 -0.26 -1.14 0.00 0.00 176.83 176.05 3gxl h PHE 196 N 0.80 1.03 0.05 3.45 0.04 -1.07 -1.38 116.94 119.86 3gxl h PHE 196 Ca 0.15 -0.27 0.01 0.00 2.80 0.00 0.00 57.97 60.65 3gxl h PHE 196 Cb 0.51 -0.23 -0.01 0.00 2.20 0.00 0.00 35.95 38.42 3gxl h PHE 196 CO 0.03 1.07 -0.07 0.87 -0.60 0.00 0.00 178.31 179.60 3gxl h LYS 197 N 0.75 -0.14 -0.70 1.51 1.57 -1.15 -1.81 116.57 116.60 3gxl h LYS 197 Ca 0.08 0.01 0.04 0.00 -1.87 0.00 0.00 60.65 58.91 3gxl h LYS 197 Cb 0.86 0.03 -0.04 0.00 0.08 0.00 0.00 32.23 33.16 3gxl h LYS 197 CO 0.08 -0.10 0.46 0.00 -0.57 0.00 0.00 179.45 179.32 3gxl h ARG 198 N -0.15 0.80 -0.19 3.15 3.08 -1.14 -1.24 114.38 118.69 3gxl h ARG 198 Ca 0.01 -0.05 -0.08 0.00 0.07 0.00 0.00 59.98 59.94 3gxl h ARG 198 Cb 0.16 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.02 3gxl h ARG 198 CO -0.04 0.53 -0.22 0.00 -1.07 0.00 0.00 179.97 179.17 3gxl h ALA 199 N 1.60 1.26 -0.67 0.04 0.00 -0.73 -2.51 119.26 118.25 3gxl h ALA 199 Ca 0.28 -0.30 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 3gxl h ALA 199 Cb 0.09 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 3gxl h ALA 199 CO -0.08 0.49 0.14 -0.44 0.00 0.00 0.00 179.25 179.36 3gxl h ASP 200 N 0.31 1.04 -0.50 0.00 3.32 -0.40 -2.89 116.42 117.31 3gxl h ASP 200 Ca 0.05 -0.25 0.04 0.00 0.02 0.00 0.00 57.03 56.90 3gxl h ASP 200 Cb 0.57 -0.28 -0.04 0.00 0.22 0.00 0.00 39.33 39.80 3gxl h ASP 200 CO 0.04 1.02 0.25 0.40 -1.72 0.00 0.00 179.24 179.23 3gxl h ILE 201 N 1.02 0.95 -0.36 0.35 1.08 -1.06 0.32 117.51 119.81 3gxl h ILE 201 Ca 0.21 -0.17 0.05 0.00 -0.39 0.00 0.00 64.86 64.57 3gxl h ILE 201 Cb 0.40 0.42 -0.05 0.00 -3.07 0.00 0.00 36.82 34.53 3gxl h ILE 201 CO 0.01 0.09 0.07 0.22 -0.69 0.00 0.00 178.15 177.84 3gxl h TYR 202 N 0.49 0.11 -0.56 1.37 3.20 -1.33 -1.07 116.97 119.18 3gxl h TYR 202 Ca 0.22 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.10 3gxl h TYR 202 Cb 0.13 0.01 -0.03 0.00 1.54 0.00 0.00 36.73 38.38 3gxl h TYR 202 CO -0.10 0.01 0.31 0.00 -1.64 0.00 0.00 178.16 176.74 3gxl h ALA 203 N 1.27 0.72 -0.20 1.82 0.00 -1.19 -2.03 119.26 119.66 3gxl h ALA 203 Ca 0.17 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 3gxl h ALA 203 Cb 0.20 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3gxl h ALA 203 CO -0.23 0.23 0.04 1.98 0.00 0.00 0.00 179.25 181.28 3gxl h MET 204 N 0.75 0.27 -0.37 0.00 1.85 -0.38 -1.60 114.93 115.45 3gxl h MET 204 Ca 0.20 -0.03 -0.00 0.00 -0.61 0.00 0.00 59.70 59.25 3gxl h MET 204 Cb 0.04 -0.05 -0.02 0.00 0.43 0.00 0.00 31.60 32.00 3gxl h MET 204 CO -0.03 0.26 0.23 0.78 -0.40 0.00 0.00 176.91 177.75 3gxl h GLY 205 N 0.46 0.53 1.11 1.39 0.00 -0.48 0.16 103.07 106.24 3gxl h GLY 205 Ca 0.07 -0.22 -0.00 0.00 0.00 0.00 0.00 47.33 47.18 3gxl h GLY 205 CO -0.00 0.21 0.53 1.41 0.00 0.00 0.00 176.54 178.69 3gxl h LEU 206 N 0.49 1.05 -0.50 3.11 3.38 -1.00 -1.70 115.31 120.14 3gxl h LEU 206 Ca 0.13 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 3gxl h LEU 206 Cb -0.02 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.45 3gxl h LEU 206 CO -0.03 0.80 0.23 0.58 0.09 0.00 0.00 178.44 180.11 3gxl h VAL 207 N 1.21 1.20 -0.65 1.22 2.07 -0.75 -1.73 116.25 118.82 3gxl h VAL 207 Ca 0.32 -0.56 0.05 0.00 0.82 0.00 0.00 66.70 67.32 3gxl h VAL 207 Cb -0.06 0.65 -0.04 0.00 -1.52 0.00 0.00 31.29 30.33 3gxl h VAL 207 CO -0.06 0.22 0.43 -0.26 0.02 0.00 0.00 177.57 177.92 3gxl h PHE 208 N 0.66 0.69 -0.41 1.57 -1.00 -0.33 -1.29 116.94 116.83 3gxl h PHE 208 Ca 0.17 0.02 -0.03 0.00 2.81 0.00 0.00 57.97 60.94 3gxl h PHE 208 Cb 0.13 -0.23 -0.02 0.00 3.61 0.00 0.00 35.95 39.45 3gxl h PHE 208 CO -0.00 0.38 0.15 2.35 -1.61 0.00 0.00 178.31 179.58 3gxl h TRP 209 N 0.70 0.63 -0.99 -0.55 7.01 -0.49 -0.84 115.95 121.43 3gxl h TRP 209 Ca 0.27 -0.05 0.02 0.00 2.11 0.00 0.00 58.89 61.24 3gxl h TRP 209 Cb 0.18 -0.19 -0.05 0.00 -2.10 0.00 0.00 29.16 27.00 3gxl h TRP 209 CO -0.00 0.57 0.65 0.93 -2.79 0.00 0.00 178.44 177.80 3gxl h GLU 210 N 0.52 1.26 -0.04 2.65 5.08 -0.51 -2.70 114.58 120.83 3gxl h GLU 210 Ca 0.13 -0.08 -0.02 0.00 -1.00 0.00 0.00 59.36 58.40 3gxl h GLU 210 Cb 0.21 -0.28 -0.00 0.00 0.50 0.00 0.00 28.75 29.18 3gxl h GLU 210 CO -0.01 0.83 -0.05 0.82 -1.00 0.00 0.00 179.01 179.60 3gxl h ILE 211 N 1.30 1.39 -0.71 3.13 2.04 -1.05 -3.26 117.51 120.35 3gxl h ILE 211 Ca 0.38 -1.26 0.12 0.00 1.00 0.00 0.00 64.86 65.11 3gxl h ILE 211 Cb -0.08 2.14 -0.05 0.00 -0.74 0.00 0.00 36.82 38.09 3gxl h ILE 211 CO -0.10 0.34 0.47 0.00 0.00 0.00 0.00 178.15 178.86 3gxl h ALA 212 N 0.52 2.02 -0.26 1.87 0.00 -1.03 -0.57 119.26 121.81 3gxl h ALA 212 Ca 0.01 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 3gxl h ALA 212 Cb 0.58 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 3gxl h ALA 212 CO 0.01 -0.20 0.06 0.00 0.00 0.00 0.00 179.25 179.13 3gxl h ARG 213 N 0.46 0.37 -0.01 0.00 3.08 -1.52 -2.31 114.38 114.45 3gxl h ARG 213 Ca 0.34 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.34 3gxl h ARG 213 Cb 0.68 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.66 3gxl h ARG 213 CO -0.11 0.35 -0.06 0.54 -1.07 0.00 0.00 179.97 179.62 3gxl n ARG 214 N -4.39 1.15 -2.38 0.04 5.12 -0.23 -0.97 116.66 115.00 3gxl n ARG 214 Ca 0.01 -0.48 -0.43 0.00 -1.93 0.00 0.00 57.85 55.02 3gxl n ARG 214 Cb 0.16 -1.49 -0.02 0.00 -1.16 0.00 0.00 32.46 29.95 3gxl n ARG 214 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3gxl s SER 216 N 2.84 5.78 0.00 0.00 0.15 0.73 -4.54 113.70 118.66 3gxl s SER 216 Ca 0.58 -0.29 0.00 0.00 0.70 0.00 0.00 55.95 56.94 3gxl s SER 216 Cb -0.19 -1.11 0.00 0.00 -1.71 0.00 0.00 66.02 63.01 3gxl s SER 216 CO 0.22 -0.45 0.00 -0.38 1.20 0.00 0.00 173.24 173.83 3gxl n ILE 220 N -1.60 0.00 -3.65 6.45 2.08 -1.26 -4.64 119.36 116.74 3gxl n ILE 220 Ca 0.00 0.00 -0.02 0.00 0.56 0.00 0.00 62.75 63.29 3gxl n ILE 220 Cb 0.59 0.00 -0.01 0.00 -0.75 0.00 0.00 39.64 39.46 3gxl n ILE 220 CO 0.00 0.00 0.00 -1.38 0.56 0.00 0.00 176.55 175.73 3gxl s HIS 221 N -0.24 -0.11 0.21 1.39 -3.43 -1.26 -5.10 115.29 106.75 3gxl s HIS 221 Ca 0.00 -0.06 -0.01 0.00 -0.80 0.00 0.00 55.06 54.19 3gxl s HIS 221 Cb 0.00 0.58 -0.04 0.00 -1.43 0.00 0.00 32.58 31.68 3gxl s HIS 221 CO 0.00 -0.49 0.40 -1.21 -2.00 0.00 0.00 174.74 171.44 3gxl s GLU 222 N -2.80 3.52 0.72 -0.38 8.01 -0.14 -5.05 118.70 122.57 3gxl s GLU 222 Ca 0.12 -0.34 -0.11 0.00 0.01 0.00 0.00 54.97 54.66 3gxl s GLU 222 Cb 0.01 -2.83 0.02 0.00 -4.31 0.00 0.00 34.13 27.03 3gxl s GLU 222 CO -0.02 0.39 1.07 0.16 0.01 0.00 0.00 175.26 176.87 3gxl s ASP 223 N -3.20 5.13 0.40 -0.19 1.47 -1.26 -4.34 116.67 114.67 3gxl s ASP 223 Ca 0.39 1.68 -0.26 0.00 1.18 0.00 0.00 52.55 55.53 3gxl s ASP 223 Cb -0.11 -2.50 -0.09 0.00 -0.34 0.00 0.00 42.92 39.88 3gxl s ASP 223 CO 0.29 -1.62 1.28 -0.47 0.68 0.00 0.00 175.17 175.34 3gxl s TYR 224 N -3.00 2.89 -0.09 2.11 5.04 -1.26 -4.89 117.35 118.15 3gxl s TYR 224 Ca 0.59 1.44 -0.25 0.00 -2.44 0.00 0.00 57.07 56.41 3gxl s TYR 224 Cb -0.15 -3.62 0.06 0.00 0.35 0.00 0.00 41.96 38.59 3gxl s TYR 224 CO 0.55 -1.93 0.58 -0.65 -1.34 0.00 0.00 175.55 172.77 3gxl s GLN 225 N -2.20 0.89 0.57 4.97 -1.52 -1.26 -5.10 119.66 116.01 3gxl s GLN 225 Ca 0.56 0.31 -0.14 0.00 -1.95 0.00 0.00 55.36 54.14 3gxl s GLN 225 Cb -0.37 0.42 -0.05 0.00 -0.22 0.00 0.00 33.01 32.78 3gxl s GLN 225 CO 0.48 -0.24 1.01 -0.51 -0.25 0.00 0.00 175.29 175.78 3gxl s LEU 226 N -0.84 3.43 0.29 2.90 1.43 -1.26 -4.78 118.68 119.85 3gxl s LEU 226 Ca -0.09 1.54 -0.29 0.00 -1.03 0.00 0.00 54.13 54.26 3gxl s LEU 226 Cb -0.02 -4.50 -0.10 0.00 0.03 0.00 0.00 46.19 41.60 3gxl s LEU 226 CO 0.06 -0.81 1.32 -2.16 0.23 0.00 0.00 176.35 174.99 3gxl s PRO 227 N -4.55 4.36 -0.68 1.29 0.04 -1.26 -2.32 135.00 131.89 3gxl s PRO 227 Ca 0.58 2.17 0.00 0.00 0.04 0.00 0.00 61.00 63.79 3gxl s PRO 227 Cb -0.11 -3.11 0.00 0.00 0.04 0.00 0.00 34.50 31.32 3gxl s PRO 227 CO 0.42 -0.22 0.00 0.66 0.04 0.00 0.00 177.00 177.90 3gxl n TYR 228 N 1.46 -0.03 -0.04 0.56 4.01 -1.26 -4.92 117.16 116.94 3gxl n TYR 228 Ca 0.02 0.00 0.16 0.00 -0.16 0.00 0.00 57.90 57.93 3gxl n TYR 228 Cb 0.42 -1.47 0.60 0.00 -0.31 0.00 0.00 39.34 38.58 3gxl n TYR 228 CO 0.00 0.00 0.00 0.10 -0.46 0.00 0.00 176.86 176.50 3gxl h TYR 229 N 0.00 0.21 -0.54 -0.72 -0.00 -1.77 -1.39 116.97 112.76 3gxl h TYR 229 Ca -0.13 0.01 -0.04 0.00 0.00 0.00 0.00 58.73 58.56 3gxl h TYR 229 Cb 0.48 -0.07 -0.02 0.00 0.00 0.00 0.00 36.73 37.12 3gxl h TYR 229 CO 0.18 0.09 0.04 -0.40 -0.00 0.00 0.00 178.16 178.08 3gxl n ASP 230 N -4.43 5.22 0.00 0.10 5.68 -1.26 -4.45 116.55 117.40 3gxl n ASP 230 Ca 0.10 -3.02 0.00 0.00 -0.50 0.00 0.00 54.79 51.37 3gxl n ASP 230 Cb 0.50 -0.67 0.00 0.00 -1.14 0.00 0.00 41.12 39.81 3gxl n ASP 230 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 3gxl n LEU 231 N 0.25 0.00 -4.14 -2.12 4.77 -0.56 -5.10 117.00 110.10 3gxl n LEU 231 Ca 0.29 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 56.15 3gxl n LEU 231 Cb 1.18 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 42.16 3gxl n LEU 231 CO 0.31 0.00 -0.39 0.68 -1.33 0.00 0.00 177.39 176.66 3gxl s VAL 232 N -0.89 0.69 0.96 4.08 -7.23 -0.99 -5.01 120.40 112.02 3gxl s VAL 232 Ca 0.00 -1.67 -0.14 0.00 -1.81 0.00 0.00 61.98 58.36 3gxl s VAL 232 Cb 0.00 -1.36 0.17 0.00 0.56 0.00 0.00 36.38 35.75 3gxl s VAL 232 CO 0.00 -0.70 1.18 -2.16 -0.31 0.00 0.00 175.10 173.11 3gxl s PRO 233 N -3.09 0.74 0.54 4.82 0.04 -1.26 -4.80 135.00 131.99 3gxl s PRO 233 Ca 0.05 0.06 -0.20 0.00 0.04 0.00 0.00 61.00 60.95 3gxl s PRO 233 Cb 0.00 -1.81 -0.06 0.00 0.04 0.00 0.00 34.50 32.67 3gxl s PRO 233 CO -0.03 -2.42 1.16 -1.12 0.04 0.00 0.00 177.00 174.63 3gxl s SER 234 N -4.26 5.68 -1.18 6.66 0.01 -1.26 -3.22 113.70 116.13 3gxl s SER 234 Ca 0.67 2.25 -0.15 0.00 1.31 0.00 0.00 55.95 60.03 3gxl s SER 234 Cb -0.11 -2.59 -0.01 0.00 0.21 0.00 0.00 66.02 63.52 3gxl s SER 234 CO 0.53 -1.25 0.75 -0.67 0.41 0.00 0.00 173.24 173.01 3gxl n ASP 235 N -1.22 -4.43 -4.77 2.44 2.03 -1.26 -4.90 116.55 104.44 3gxl n ASP 235 Ca 0.11 -0.97 -0.35 0.00 0.52 0.00 0.00 54.79 54.11 3gxl n ASP 235 Cb 0.50 -3.56 0.03 0.00 -0.72 0.00 0.00 41.12 37.36 3gxl n ASP 235 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 3gxl s PRO 236 N -5.91 3.05 0.64 -0.67 0.04 -1.20 -5.05 135.00 125.89 3gxl s PRO 236 Ca 0.37 1.60 -0.03 0.00 0.04 0.00 0.00 61.00 62.98 3gxl s PRO 236 Cb -0.12 -1.96 0.06 0.00 0.04 0.00 0.00 34.50 32.51 3gxl s PRO 236 CO 0.85 -1.09 0.91 -1.54 0.04 0.00 0.00 177.00 176.16 3gxl s SER 237 N -1.99 4.96 0.16 6.66 1.04 -1.26 -4.69 113.70 118.57 3gxl s SER 237 Ca 0.72 0.16 -0.15 0.00 0.48 0.00 0.00 55.95 57.16 3gxl s SER 237 Cb -0.24 -0.88 0.03 0.00 0.10 0.00 0.00 66.02 65.02 3gxl s SER 237 CO 0.33 -1.43 1.80 0.58 0.98 0.00 0.00 173.24 175.50 3gxl h VAL 238 N -0.30 1.13 -0.63 5.02 2.07 -1.96 -2.03 116.25 119.56 3gxl h VAL 238 Ca -0.43 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 66.81 3gxl h VAL 238 Cb 1.30 0.52 -0.03 0.00 -1.52 0.00 0.00 31.29 31.56 3gxl h VAL 238 CO 0.54 0.13 0.40 -0.33 0.02 0.00 0.00 177.57 178.34 3gxl h GLU 239 N 0.60 0.84 -0.78 1.57 4.39 -1.94 0.28 114.58 119.53 3gxl h GLU 239 Ca 0.16 -0.06 -0.03 0.00 0.34 0.00 0.00 59.36 59.77 3gxl h GLU 239 Cb -0.02 -0.18 -0.04 0.00 -0.10 0.00 0.00 28.75 28.41 3gxl h GLU 239 CO -0.03 0.58 0.39 0.93 -1.16 0.00 0.00 179.01 179.72 3gxl h GLU 240 N 0.86 1.12 -0.16 2.33 5.08 -1.90 -1.41 114.58 120.50 3gxl h GLU 240 Ca 0.23 -0.16 -0.05 0.00 -1.00 0.00 0.00 59.36 58.38 3gxl h GLU 240 Cb -0.06 -0.21 -0.00 0.00 0.50 0.00 0.00 28.75 28.98 3gxl h GLU 240 CO -0.05 0.86 -0.11 0.52 -1.00 0.00 0.00 179.01 179.24 3gxl h MET 241 N 1.10 0.36 -0.80 2.33 2.86 -0.93 -3.20 114.93 116.66 3gxl h MET 241 Ca 0.27 -0.17 0.08 0.00 -2.06 0.00 0.00 59.70 57.82 3gxl h MET 241 Cb 0.10 -0.00 -0.07 0.00 0.06 0.00 0.00 31.60 31.69 3gxl h MET 241 CO -0.04 0.70 0.46 -0.09 1.06 0.00 0.00 176.91 179.01 3gxl h ARG 242 N 0.02 0.78 -0.67 1.72 2.43 -0.20 0.60 114.38 119.06 3gxl h ARG 242 Ca 0.03 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.14 3gxl h ARG 242 Cb 0.61 -0.18 -0.03 0.00 -0.42 0.00 0.00 29.97 29.95 3gxl h ARG 242 CO 0.03 0.52 0.36 0.87 -1.51 0.00 0.00 179.97 180.23 3gxl h LYS 243 N 0.81 0.93 0.00 0.20 1.57 -1.29 0.21 116.57 118.99 3gxl h LYS 243 Ca 0.37 -0.10 -0.00 0.00 -1.87 0.00 0.00 60.65 59.05 3gxl h LYS 243 Cb 0.29 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.41 3gxl h LYS 243 CO -0.22 0.69 -0.00 0.28 -0.57 0.00 0.00 179.45 179.63 3gxl h VAL 244 N 0.93 1.50 0.05 0.50 2.07 -1.36 0.07 116.25 120.02 3gxl h VAL 244 Ca 0.24 -2.09 -0.28 0.00 0.82 0.00 0.00 66.70 65.39 3gxl h VAL 244 Cb 0.04 2.82 0.02 0.00 -1.52 0.00 0.00 31.29 32.65 3gxl h VAL 244 CO -0.04 0.50 -1.12 0.58 0.02 0.00 0.00 177.57 177.51 3gxl h VAL 245 N -0.98 1.30 0.03 2.57 2.07 -0.92 -1.22 116.25 119.09 3gxl h VAL 245 Ca -0.00 -2.38 -0.34 0.00 0.82 0.00 0.00 66.70 64.79 3gxl h VAL 245 Cb 0.83 2.53 -0.04 0.00 -1.52 0.00 0.00 31.29 33.08 3gxl h VAL 245 CO 0.00 0.73 -1.93 0.00 0.02 0.00 0.00 177.57 176.39 3gxl h GLU 247 N -0.64 0.00 0.00 0.00 5.08 -1.37 -3.35 114.58 114.30 3gxl h GLU 247 Ca -0.49 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.87 3gxl h GLU 247 Cb 1.62 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.87 3gxl h GLU 247 CO -0.19 0.81 -0.15 0.94 -1.00 0.00 0.00 179.01 179.42 3gxl n GLN 248 N -4.61 0.25 -3.78 2.33 7.27 0.01 -4.95 117.38 113.90 3gxl n GLN 248 Ca -0.12 0.17 -0.26 0.00 0.07 0.00 0.00 57.00 56.87 3gxl n GLN 248 Cb 0.43 -1.76 0.04 0.00 2.41 0.00 0.00 30.24 31.35 3gxl n GLN 248 CO 0.00 0.00 0.00 1.63 0.07 0.00 0.00 177.06 178.76 3gxl n LYS 249 N -2.18 -5.74 -3.53 3.69 5.02 -0.74 -4.99 118.16 109.69 3gxl n LYS 249 Ca 0.05 0.65 -0.24 0.00 -2.02 0.00 0.00 58.31 56.75 3gxl n LYS 249 Cb 0.43 -5.47 -0.02 0.00 -0.02 0.00 0.00 35.03 29.95 3gxl n LYS 249 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3gxl s LEU 250 N -7.06 4.10 0.16 -0.35 1.43 -0.54 -4.99 118.68 111.43 3gxl s LEU 250 Ca 0.42 0.38 -0.00 0.00 -1.03 0.00 0.00 54.13 53.90 3gxl s LEU 250 Cb -0.20 -3.22 -0.04 0.00 0.03 0.00 0.00 46.19 42.76 3gxl s LEU 250 CO 0.81 -0.21 0.06 -0.13 0.23 0.00 0.00 176.35 177.11 3gxl s ARG 251 N -4.09 1.05 0.35 1.70 1.81 -1.26 -4.46 118.95 114.05 3gxl s ARG 251 Ca 0.39 -1.52 -0.27 0.00 -1.72 0.00 0.00 55.73 52.61 3gxl s ARG 251 Cb -0.10 0.12 -0.12 0.00 -0.45 0.00 0.00 34.95 34.41 3gxl s ARG 251 CO 0.33 -0.27 1.19 -2.30 -0.68 0.00 0.00 175.30 173.58 3gxl n PRO 252 N -0.18 1.83 -2.21 3.54 -0.02 -1.26 -4.89 135.00 131.80 3gxl n PRO 252 Ca -0.04 0.64 -0.41 0.00 -2.02 0.00 0.00 63.50 61.68 3gxl n PRO 252 Cb 0.64 -2.19 -0.03 0.00 -0.02 0.00 0.00 33.50 31.90 3gxl n PRO 252 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3gxl s ASN 253 N -0.45 6.90 -0.37 2.55 4.22 -1.26 -5.01 114.94 121.53 3gxl s ASN 253 Ca 0.58 2.47 -0.16 0.00 -2.14 0.00 0.00 52.86 53.62 3gxl s ASN 253 Cb -0.59 -2.62 -0.00 0.00 1.28 0.00 0.00 41.25 39.32 3gxl s ASN 253 CO 0.60 -0.48 0.38 -0.63 -2.04 0.00 0.00 177.10 174.93 3gxl s ILE 254 N -0.41 5.15 0.69 0.54 -1.09 -1.26 -5.06 121.20 119.76 3gxl s ILE 254 Ca 0.53 -0.09 -0.17 0.00 -2.23 0.00 0.00 60.65 58.69 3gxl s ILE 254 Cb -0.37 -3.89 -0.00 0.00 -1.58 0.00 0.00 42.46 36.62 3gxl s ILE 254 CO 0.43 -0.19 1.05 -2.65 -1.23 0.00 0.00 174.94 172.35 3gxl n PRO 255 N 5.43 0.69 0.04 2.79 -0.02 -1.26 -4.92 135.00 137.75 3gxl n PRO 255 Ca -0.09 0.29 -0.10 0.00 -2.02 0.00 0.00 63.50 61.59 3gxl n PRO 255 Cb 0.49 -2.29 0.04 0.00 -0.02 0.00 0.00 33.50 31.72 3gxl n PRO 255 CO 0.00 0.00 0.00 -0.97 1.98 0.00 0.00 175.50 176.51 3gxl h ASN 256 N 0.01 0.50 -5.01 2.55 -1.24 -2.06 -3.52 115.58 106.81 3gxl h ASN 256 Ca -0.48 -0.31 -0.00 0.00 0.71 0.00 0.00 56.30 56.21 3gxl h ASN 256 Cb 1.34 -0.15 -0.10 0.00 0.73 0.00 0.00 38.32 40.14 3gxl h ASN 256 CO 0.49 1.04 0.18 0.00 -1.29 0.00 0.00 177.43 177.85 3gxl s ARG 257 N -3.69 1.38 0.19 6.67 1.70 -1.26 -4.99 118.95 118.96 3gxl s ARG 257 Ca -0.06 -0.62 -0.13 0.00 -0.47 0.00 0.00 55.73 54.45 3gxl s ARG 257 Cb 0.11 0.58 0.00 0.00 -0.57 0.00 0.00 34.95 35.07 3gxl s ARG 257 CO 0.84 -0.61 0.41 0.45 -1.08 0.00 0.00 175.30 175.31 3gxl s SER 260 N -2.80 -0.09 0.33 -2.89 0.15 -1.26 -4.98 113.70 102.16 3gxl s SER 260 Ca 0.04 -0.76 -0.23 0.00 0.70 0.00 0.00 55.95 55.70 3gxl s SER 260 Cb -0.02 0.52 -0.10 0.00 -1.71 0.00 0.00 66.02 64.71 3gxl s SER 260 CO -0.08 -1.01 0.90 0.00 1.20 0.00 0.00 173.24 174.26 3gxl h GLU 262 N 2.88 0.79 -0.52 0.00 4.57 -2.05 0.11 114.58 120.35 3gxl h GLU 262 Ca -0.47 -0.05 -0.01 0.00 -1.18 0.00 0.00 59.36 57.65 3gxl h GLU 262 Cb 1.19 -0.18 -0.02 0.00 -0.16 0.00 0.00 28.75 29.58 3gxl h GLU 262 CO 0.64 0.52 0.29 0.00 -1.18 0.00 0.00 179.01 179.28 3gxl h ALA 263 N 1.28 0.67 -0.08 2.92 0.00 -1.99 -1.00 119.26 121.05 3gxl h ALA 263 Ca 0.26 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 55.00 3gxl h ALA 263 Cb 0.00 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 3gxl h ALA 263 CO -0.10 0.19 -0.33 -0.07 0.00 0.00 0.00 179.25 178.94 3gxl h LEU 264 N 0.70 0.16 -0.54 0.00 3.38 -1.83 -1.69 115.31 115.49 3gxl h LEU 264 Ca 0.19 -0.06 -0.13 0.00 0.09 0.00 0.00 57.88 57.97 3gxl h LEU 264 Cb 0.04 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 3gxl h LEU 264 CO -0.03 0.49 -0.20 -0.09 0.09 0.00 0.00 178.44 178.70 3gxl h ARG 265 N 0.14 0.96 -0.39 1.13 2.43 -0.15 -0.83 114.38 117.68 3gxl h ARG 265 Ca 0.02 -0.40 -0.05 0.00 -0.81 0.00 0.00 59.98 58.74 3gxl h ARG 265 Cb 0.66 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.15 3gxl h ARG 265 CO 0.05 1.07 0.04 0.28 -1.51 0.00 0.00 179.97 179.90 3gxl h VAL 266 N 0.84 1.25 -0.18 0.20 2.07 -0.85 -2.28 116.25 117.29 3gxl h VAL 266 Ca 0.11 -0.91 0.01 0.00 0.82 0.00 0.00 66.70 66.73 3gxl h VAL 266 Cb 0.77 1.09 -0.02 0.00 -1.52 0.00 0.00 31.29 31.61 3gxl h VAL 266 CO 0.06 0.31 0.08 0.24 0.02 0.00 0.00 177.57 178.29 3gxl h MET 267 N 0.50 0.18 -0.62 1.57 2.86 -1.12 -1.89 114.93 116.41 3gxl h MET 267 Ca 0.11 -0.01 0.05 0.00 -2.06 0.00 0.00 59.70 57.79 3gxl h MET 267 Cb 0.41 -0.04 -0.05 0.00 0.06 0.00 0.00 31.60 31.98 3gxl h MET 267 CO 0.01 0.12 0.34 0.00 1.06 0.00 0.00 176.91 178.44 3gxl h ALA 268 N 1.09 0.81 -0.64 6.32 0.00 -1.06 -0.36 119.26 125.43 3gxl h ALA 268 Ca 0.07 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 3gxl h ALA 268 Cb 0.02 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 3gxl h ALA 268 CO -0.05 0.02 0.40 -0.22 0.00 0.00 0.00 179.25 179.39 3gxl h LYS 269 N 0.64 0.87 -0.22 0.00 3.64 -1.17 -1.18 116.57 119.15 3gxl h LYS 269 Ca 0.27 -0.07 0.02 0.00 -1.27 0.00 0.00 60.65 59.59 3gxl h LYS 269 Cb 0.15 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 31.76 3gxl h LYS 269 CO -0.16 0.61 0.10 0.82 -2.27 0.00 0.00 179.45 178.54 3gxl h ILE 270 N 0.87 0.98 -0.07 2.00 2.04 -0.53 -1.60 117.51 121.20 3gxl h ILE 270 Ca 0.23 -0.07 0.04 0.00 1.00 0.00 0.00 64.86 66.06 3gxl h ILE 270 Cb -0.04 0.75 -0.06 0.00 -0.74 0.00 0.00 36.82 36.73 3gxl h ILE 270 CO -0.05 0.04 -0.29 0.24 0.00 0.00 0.00 178.15 178.09 3gxl h MET 271 N 0.21 -0.38 -0.69 2.37 2.86 -0.54 -1.53 114.93 117.24 3gxl h MET 271 Ca 0.09 0.03 0.10 0.00 -2.06 0.00 0.00 59.70 57.85 3gxl h MET 271 Cb 0.03 0.09 -0.07 0.00 0.06 0.00 0.00 31.60 31.71 3gxl h MET 271 CO -0.07 -0.25 0.32 0.00 1.06 0.00 0.00 176.91 177.97 3gxl h ARG 272 N -0.39 0.53 0.00 1.72 3.08 -1.00 0.12 114.38 118.44 3gxl h ARG 272 Ca 0.08 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.10 3gxl h ARG 272 Cb 0.52 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.45 3gxl h ARG 272 CO -0.30 0.35 0.00 0.39 -1.07 0.00 0.00 179.97 179.34 3gxl n GLU 273 N -4.90 0.60 -0.01 0.04 1.02 -0.62 -1.88 120.64 114.89 3gxl n GLU 273 Ca 0.11 0.01 0.08 0.00 -0.02 0.00 0.00 57.16 57.34 3gxl n GLU 273 Cb 0.28 -1.50 -0.12 0.00 -0.02 0.00 0.00 31.44 30.08 3gxl n GLU 273 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3gxl n TRP 275 N -1.90 0.95 -1.80 0.00 8.01 -0.72 -3.79 117.44 118.19 3gxl n TRP 275 Ca -0.01 -0.46 -0.39 0.00 -1.31 0.00 0.00 57.50 55.33 3gxl n TRP 275 Cb 0.39 -0.03 0.03 0.00 -2.01 0.00 0.00 31.31 29.69 3gxl n TRP 275 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.69 177.39 3gxl s TYR 276 N -1.22 2.35 0.43 -5.99 2.02 -1.24 -4.88 117.35 108.83 3gxl s TYR 276 Ca 0.44 1.34 0.13 0.00 -0.37 0.00 0.00 57.07 58.62 3gxl s TYR 276 Cb 0.24 -3.83 0.95 0.00 -0.40 0.00 0.00 41.96 38.93 3gxl s TYR 276 CO 0.29 -2.88 1.98 0.00 -1.57 0.00 0.00 175.55 173.37 3gxl h ALA 277 N 1.74 1.66 -2.57 3.71 0.00 -1.96 -3.39 119.26 118.44 3gxl h ALA 277 Ca -0.51 -0.17 -0.64 0.00 0.00 0.00 0.00 54.91 53.59 3gxl h ALA 277 Cb 1.29 -0.04 -0.15 0.00 0.00 0.00 0.00 17.79 18.89 3gxl h ALA 277 CO 0.58 0.25 -0.13 1.21 0.00 0.00 0.00 179.25 181.17 3gxl s ASN 278 N -6.98 6.30 0.39 0.00 2.47 -1.26 -4.49 114.94 111.37 3gxl s ASN 278 Ca -0.04 0.14 0.10 0.00 0.42 0.00 0.00 52.86 53.48 3gxl s ASN 278 Cb 0.16 -2.24 0.88 0.00 -1.45 0.00 0.00 41.25 38.60 3gxl s ASN 278 CO 0.70 -0.34 1.92 1.23 -3.72 0.00 0.00 177.10 176.90 3gxl h GLY 279 N 8.85 0.91 2.00 1.21 0.00 -1.93 -1.62 103.07 112.48 3gxl h GLY 279 Ca -0.29 -0.25 0.00 0.00 0.00 0.00 0.00 47.33 46.79 3gxl h GLY 279 CO 0.71 0.13 0.00 0.00 0.00 0.00 0.00 176.54 177.38 3gxl h ALA 280 N 1.63 1.00 0.00 3.60 0.00 -1.95 -2.34 119.26 121.20 3gxl h ALA 280 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.27 3gxl h ALA 280 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.38 3gxl h ALA 280 CO -0.13 0.00 -0.81 0.00 0.00 0.00 0.00 179.25 178.31 3gxl h ALA 281 N 2.10 0.58 -2.31 0.00 0.00 -1.68 -3.48 119.26 114.47 3gxl h ALA 281 Ca 0.00 0.00 -0.51 0.00 0.00 0.00 0.00 54.91 54.40 3gxl h ALA 281 Cb 0.20 0.00 0.14 0.00 0.00 0.00 0.00 17.79 18.14 3gxl h ALA 281 CO 0.00 0.00 0.30 1.03 0.00 0.00 0.00 179.25 180.58 3gxl s ARG 282 N -3.31 1.98 0.69 0.00 0.52 -0.88 -4.98 118.95 112.96 3gxl s ARG 282 Ca 0.02 1.18 -0.11 0.00 -0.52 0.00 0.00 55.73 56.29 3gxl s ARG 282 Cb 0.10 -1.86 0.00 0.00 0.52 0.00 0.00 34.95 33.70 3gxl s ARG 282 CO 0.76 -1.84 1.06 -0.51 0.02 0.00 0.00 175.30 174.79 3gxl s LEU 283 N -6.05 3.14 0.40 2.53 1.43 -0.93 -5.03 118.68 114.17 3gxl s LEU 283 Ca 0.62 1.60 -0.00 0.00 -1.03 0.00 0.00 54.13 55.32 3gxl s LEU 283 Cb -0.18 -4.49 -0.02 0.00 0.03 0.00 0.00 46.19 41.52 3gxl s LEU 283 CO 0.56 -1.39 0.62 0.42 0.23 0.00 0.00 176.35 176.79 3gxl s THR 284 N -3.06 4.72 0.29 5.49 -4.23 -1.26 -4.93 115.64 112.66 3gxl s THR 284 Ca 0.58 -0.39 -0.01 0.00 -1.18 0.00 0.00 61.69 60.68 3gxl s THR 284 Cb -0.14 -3.74 0.19 0.00 1.34 0.00 0.00 72.50 70.15 3gxl s THR 284 CO 0.55 -0.52 1.87 0.00 -0.54 0.00 0.00 174.62 175.98 3gxl h ALA 285 N 0.57 1.28 -0.42 3.99 0.00 -1.94 -2.01 119.26 120.74 3gxl h ALA 285 Ca -0.48 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.25 3gxl h ALA 285 Cb 1.23 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 3gxl h ALA 285 CO 0.60 0.54 0.16 1.25 0.00 0.00 0.00 179.25 181.80 3gxl h LEU 286 N 0.90 0.58 -0.81 0.00 5.85 -1.91 0.01 115.31 119.92 3gxl h LEU 286 Ca 0.21 -0.17 -0.02 0.00 0.84 0.00 0.00 57.88 58.74 3gxl h LEU 286 Cb 0.15 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 40.99 3gxl h LEU 286 CO -0.02 0.60 0.42 -0.09 -0.34 0.00 0.00 178.44 179.01 3gxl h ARG 287 N 0.54 1.15 -0.57 1.25 9.65 -1.88 -0.71 114.38 123.81 3gxl h ARG 287 Ca 0.14 -0.15 -0.05 0.00 -1.10 0.00 0.00 59.98 58.82 3gxl h ARG 287 Cb 0.20 -0.22 -0.02 0.00 -1.39 0.00 0.00 29.97 28.54 3gxl h ARG 287 CO -0.01 0.86 0.16 0.82 2.80 0.00 0.00 179.97 184.60 3gxl h ILE 288 N 1.14 1.24 -0.40 1.20 2.04 -1.03 -1.64 117.51 120.06 3gxl h ILE 288 Ca 0.28 -0.85 0.00 0.00 1.00 0.00 0.00 64.86 65.29 3gxl h ILE 288 Cb 0.07 0.72 -0.02 0.00 -0.74 0.00 0.00 36.82 36.85 3gxl h ILE 288 CO -0.04 0.32 0.26 0.50 0.00 0.00 0.00 178.15 179.19 3gxl h LYS 289 N 0.81 0.53 0.14 2.37 3.64 -0.51 -0.42 116.57 123.13 3gxl h LYS 289 Ca 0.18 -0.04 0.01 0.00 -1.27 0.00 0.00 60.65 59.53 3gxl h LYS 289 Cb 0.32 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.00 3gxl h LYS 289 CO -0.00 0.37 -0.17 0.87 -2.27 0.00 0.00 179.45 178.25 3gxl h LYS 290 N 0.54 -0.34 -0.64 1.90 1.79 -0.89 0.16 116.57 119.10 3gxl h LYS 290 Ca 0.15 0.02 0.04 0.00 -2.18 0.00 0.00 60.65 58.68 3gxl h LYS 290 Cb -0.04 0.08 -0.05 0.00 -1.58 0.00 0.00 32.23 30.64 3gxl h LYS 290 CO -0.03 -0.23 0.37 1.15 -1.08 0.00 0.00 179.45 179.63 3gxl h THR 291 N -0.35 1.02 -0.15 -0.16 2.02 -1.11 -0.36 112.91 113.82 3gxl h THR 291 Ca 0.01 -0.24 -0.09 0.00 0.77 0.00 0.00 66.41 66.86 3gxl h THR 291 Cb 0.35 0.25 -0.01 0.00 -1.74 0.00 0.00 68.15 67.00 3gxl h THR 291 CO -0.07 0.13 -0.31 -0.07 0.37 0.00 0.00 175.52 175.57 3gxl h LEU 292 N 0.70 0.30 -0.37 2.58 4.07 -0.82 -1.94 115.31 119.84 3gxl h LEU 292 Ca 0.27 -0.10 -0.07 0.00 0.08 0.00 0.00 57.88 58.05 3gxl h LEU 292 Cb 0.11 -0.08 -0.01 0.00 1.08 0.00 0.00 40.66 41.75 3gxl h LEU 292 CO -0.14 0.60 -0.06 0.28 -1.08 0.00 0.00 178.44 178.04 3gxl h SER 293 N 0.26 0.69 -0.40 -0.43 0.02 0.33 -1.34 113.55 112.67 3gxl h SER 293 Ca 0.03 -0.35 -0.01 0.00 -0.84 0.00 0.00 61.79 60.63 3gxl h SER 293 Cb 0.68 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 63.02 3gxl h SER 293 CO 0.05 0.87 0.23 1.56 -1.14 0.00 0.00 176.83 178.40 3gxl h GLN 294 N 0.49 0.56 -0.89 3.45 4.20 -0.86 -2.25 115.11 119.82 3gxl h GLN 294 Ca 0.10 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.73 3gxl h GLN 294 Cb 0.56 -0.11 -0.04 0.00 0.30 0.00 0.00 27.48 28.18 3gxl h GLN 294 CO 0.03 0.45 0.50 1.25 -0.67 0.00 0.00 178.83 180.39 3gxl h LEU 295 N 0.52 1.09 -1.41 1.46 5.85 -1.24 -2.05 115.31 119.53 3gxl h LEU 295 Ca 0.14 -0.09 -0.02 0.00 0.84 0.00 0.00 57.88 58.75 3gxl h LEU 295 Cb 0.05 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 40.78 3gxl h LEU 295 CO -0.02 0.87 0.12 -1.28 -0.34 0.00 0.00 178.44 177.78 3gxl h SER 296 N 1.24 0.47 0.20 1.25 0.87 -0.86 -2.41 113.55 114.30 3gxl h SER 296 Ca 0.31 -0.05 -0.18 0.00 -1.23 0.00 0.00 61.79 60.64 3gxl h SER 296 Cb 0.00 -0.12 -0.00 0.00 -0.44 0.00 0.00 62.40 61.84 3gxl h SER 296 CO -0.05 0.45 -0.69 -0.61 -0.53 0.00 0.00 176.83 175.40 3gxl h GLN 297 N 0.51 0.44 0.00 2.24 5.75 -0.81 -3.51 115.11 119.73 3gxl h GLN 297 Ca 0.12 -0.34 0.00 0.00 -0.15 0.00 0.00 58.65 58.28 3gxl h GLN 297 Cb 0.15 0.06 0.00 0.00 1.07 0.00 0.00 27.48 28.77 3gxl h GLN 297 CO -0.01 0.97 0.00 1.04 -2.65 0.00 0.00 178.83 178.18