#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j3w s GLU 3 N 0.00 1.19 0.88 1.45 2.02 -1.26 -5.14 118.70 117.84 1j3w s GLU 3 Ca 0.00 -1.39 -0.11 0.00 0.02 0.00 0.00 54.97 53.50 1j3w s GLU 3 Cb 0.00 -1.12 0.12 0.00 0.10 0.00 0.00 34.13 33.23 1j3w s GLU 3 CO 0.00 0.21 1.11 -2.14 0.02 0.00 0.00 175.26 174.47 1j3w s PRO 4 N -2.95 1.35 0.00 0.39 0.02 -1.26 -4.87 135.00 127.68 1j3w s PRO 4 Ca 0.15 1.28 0.00 0.00 0.02 0.00 0.00 61.00 62.45 1j3w s PRO 4 Cb -0.04 -1.79 0.00 0.00 0.02 0.00 0.00 34.50 32.69 1j3w s PRO 4 CO 0.05 -2.31 0.90 0.43 -0.33 0.00 0.00 177.00 175.75 1j3w n SER 5 N -3.99 0.00 0.00 2.53 7.64 -1.26 -4.78 113.62 113.76 1j3w n SER 5 Ca 0.10 -1.81 0.00 0.00 1.01 0.00 0.00 58.87 58.17 1j3w n SER 5 Cb 0.53 -0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.73 1j3w n SER 5 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 1j3w n LEU 6 N -0.50 0.00 -3.77 -3.43 0.00 -1.26 -5.02 117.00 103.02 1j3w n LEU 6 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 56.01 55.87 1j3w n LEU 6 Cb 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 43.42 43.27 1j3w n LEU 6 CO 0.00 0.00 -0.31 0.68 0.00 0.00 0.00 177.39 177.76 1j3w s VAL 7 N -1.29 -0.05 -0.19 1.96 -7.23 -1.26 -4.92 120.40 107.41 1j3w s VAL 7 Ca 0.00 0.20 -0.11 0.00 -1.81 0.00 0.00 61.98 60.25 1j3w s VAL 7 Cb 0.00 -0.13 -0.05 0.00 0.56 0.00 0.00 36.38 36.76 1j3w s VAL 7 CO 0.00 0.08 0.18 -0.76 -0.31 0.00 0.00 175.10 174.29 1j3w s LEU 8 N 1.07 4.21 0.23 1.32 1.43 -1.26 -5.00 118.68 120.68 1j3w s LEU 8 Ca -0.09 0.31 -0.08 0.00 -1.03 0.00 0.00 54.13 53.24 1j3w s LEU 8 Cb -0.12 -2.18 -0.02 0.00 0.03 0.00 0.00 46.19 43.90 1j3w s LEU 8 CO -0.04 0.14 0.34 -0.72 0.23 0.00 0.00 176.35 176.31 1j3w s TYR 9 N 0.45 0.67 0.00 0.29 1.13 -1.26 -4.77 117.35 113.86 1j3w s TYR 9 Ca 0.11 -0.98 0.00 0.00 -1.41 0.00 0.00 57.07 54.79 1j3w s TYR 9 Cb -0.12 -0.10 0.00 0.00 -1.10 0.00 0.00 41.96 40.64 1j3w s TYR 9 CO 0.00 -0.86 0.00 0.41 -2.51 0.00 0.00 175.55 172.60 1j3w n GLY 10 N -0.34 2.96 0.12 5.49 0.00 -1.26 -3.00 105.19 109.16 1j3w n GLY 10 Ca -0.00 -0.27 -0.11 0.00 0.00 0.00 0.00 46.02 45.64 1j3w n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j3w h ALA 11 N -0.86 0.27 -0.60 4.61 0.00 -2.00 -2.60 119.26 118.09 1j3w h ALA 11 Ca 0.00 -0.12 0.07 0.00 0.00 0.00 0.00 54.91 54.86 1j3w h ALA 11 Cb 0.00 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 17.65 1j3w h ALA 11 CO 0.00 -0.12 0.27 -1.35 0.00 0.00 0.00 179.25 178.05 1j3w h PRO 12 N 0.17 0.48 -0.05 0.00 0.11 -1.95 0.35 132.00 131.12 1j3w h PRO 12 Ca 0.07 -0.03 0.01 0.00 0.11 0.00 0.00 66.00 66.15 1j3w h PRO 12 Cb 0.21 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 31.20 1j3w h PRO 12 CO -0.00 0.32 0.01 -0.92 -0.21 0.00 0.00 178.00 177.20 1j3w h TYR 13 N 0.50 0.02 -0.86 0.65 3.20 -1.51 -1.16 116.97 117.82 1j3w h TYR 13 Ca 0.28 0.00 0.04 0.00 3.14 0.00 0.00 58.73 62.19 1j3w h TYR 13 Cb 0.27 -0.00 -0.05 0.00 1.54 0.00 0.00 36.73 38.49 1j3w h TYR 13 CO -0.13 0.01 0.55 0.93 -1.64 0.00 0.00 178.16 177.88 1j3w h GLU 14 N 0.03 1.03 -0.72 1.82 4.39 -0.99 0.12 114.58 120.27 1j3w h GLU 14 Ca 0.02 -0.06 -0.06 0.00 0.34 0.00 0.00 59.36 59.59 1j3w h GLU 14 Cb 0.01 -0.23 -0.03 0.00 -0.10 0.00 0.00 28.75 28.40 1j3w h GLU 14 CO -0.03 0.68 0.19 0.00 -1.16 0.00 0.00 179.01 178.70 1j3w h ARG 15 N 1.06 1.13 -0.26 2.33 2.47 -0.67 -1.16 114.38 119.28 1j3w h ARG 15 Ca 0.34 -0.26 -0.03 0.00 -1.26 0.00 0.00 59.98 58.77 1j3w h ARG 15 Cb 0.02 -0.15 -0.01 0.00 -1.65 0.00 0.00 29.97 28.18 1j3w h ARG 15 CO -0.12 0.99 0.05 0.00 0.56 0.00 0.00 179.97 181.44 1j3w h ALA 16 N 1.10 0.34 -0.95 0.04 0.00 -0.35 -2.31 119.26 117.12 1j3w h ALA 16 Ca 0.23 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.97 1j3w h ALA 16 Cb 0.35 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.99 1j3w h ALA 16 CO -0.00 0.02 0.63 0.28 0.00 0.00 0.00 179.25 180.18 1j3w h VAL 17 N 0.24 1.24 -0.83 0.00 2.07 -0.62 -1.23 116.25 117.13 1j3w h VAL 17 Ca 0.08 -0.44 0.00 0.00 0.82 0.00 0.00 66.70 67.16 1j3w h VAL 17 Cb 0.32 -0.16 -0.04 0.00 -1.52 0.00 0.00 31.29 29.89 1j3w h VAL 17 CO 0.00 0.24 0.54 -0.33 0.02 0.00 0.00 177.57 178.04 1j3w h GLU 18 N 1.29 1.10 -0.43 1.57 5.08 -1.02 0.44 114.58 122.61 1j3w h GLU 18 Ca 0.35 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.62 1j3w h GLU 18 Cb -0.15 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 28.84 1j3w h GLU 18 CO -0.08 0.74 0.21 0.28 -1.00 0.00 0.00 179.01 179.16 1j3w h VAL 19 N 1.13 1.17 -0.52 3.13 2.07 -0.81 -0.91 116.25 121.51 1j3w h VAL 19 Ca 0.30 -0.49 -0.01 0.00 0.82 0.00 0.00 66.70 67.32 1j3w h VAL 19 Cb -0.11 0.71 -0.02 0.00 -1.52 0.00 0.00 31.29 30.35 1j3w h VAL 19 CO -0.06 0.19 0.27 -0.07 0.02 0.00 0.00 177.57 177.92 1j3w h LEU 20 N 0.55 0.66 -0.36 2.57 3.38 -0.58 -0.06 115.31 121.47 1j3w h LEU 20 Ca 0.15 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 1j3w h LEU 20 Cb 0.11 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 1j3w h LEU 20 CO -0.02 0.58 0.16 -0.33 0.09 0.00 0.00 178.44 178.92 1j3w h GLU 21 N 0.69 0.53 -0.75 1.13 5.08 -0.74 -1.80 114.58 118.71 1j3w h GLU 21 Ca 0.18 -0.09 -0.05 0.00 -1.00 0.00 0.00 59.36 58.40 1j3w h GLU 21 Cb 0.07 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.20 1j3w h GLU 21 CO -0.03 0.49 0.25 0.93 -1.00 0.00 0.00 179.01 179.66 1j3w h GLU 22 N 0.44 1.15 -0.63 2.33 5.08 -0.98 -2.50 114.58 119.48 1j3w h GLU 22 Ca 0.12 -0.23 -0.06 0.00 -1.00 0.00 0.00 59.36 58.19 1j3w h GLU 22 Cb 0.15 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.20 1j3w h GLU 22 CO -0.01 0.96 0.17 1.15 -1.00 0.00 0.00 179.01 180.27 1j3w h THR 23 N 1.11 1.24 -0.46 1.13 2.02 -0.76 -0.59 112.91 116.61 1j3w h THR 23 Ca 0.24 -0.88 -0.02 0.00 0.77 0.00 0.00 66.41 66.53 1j3w h THR 23 Cb 0.28 0.58 -0.02 0.00 -1.74 0.00 0.00 68.15 67.25 1j3w h THR 23 CO -0.01 0.33 0.21 -0.07 0.37 0.00 0.00 175.52 176.35 1j3w h LEU 24 N 0.94 0.61 -0.64 2.58 3.38 -1.03 -0.92 115.31 120.22 1j3w h LEU 24 Ca 0.20 -0.14 -0.05 0.00 0.09 0.00 0.00 57.88 57.98 1j3w h LEU 24 Cb 0.31 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 1j3w h LEU 24 CO -0.00 0.59 0.22 0.03 0.09 0.00 0.00 178.44 179.37 1j3w h ARG 25 N 0.60 0.99 -0.00 1.13 3.08 -1.01 -0.46 114.38 118.70 1j3w h ARG 25 Ca 0.16 -0.20 -0.14 0.00 0.07 0.00 0.00 59.98 59.87 1j3w h ARG 25 Cb 0.15 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.03 1j3w h ARG 25 CO -0.02 0.85 -0.66 0.93 -1.07 0.00 0.00 179.97 180.01 1j3w h GLU 26 N 0.92 0.01 0.00 0.04 4.39 -0.95 -3.35 114.58 115.64 1j3w h GLU 26 Ca 0.21 -0.01 -0.33 0.00 0.34 0.00 0.00 59.36 59.58 1j3w h GLU 26 Cb 0.26 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 28.85 1j3w h GLU 26 CO -0.01 0.66 -2.23 0.25 -1.16 0.00 0.00 179.01 176.53 1j3w n THR 27 N -3.76 1.32 -0.68 1.13 -2.24 -0.36 -4.88 114.28 104.80 1j3w n THR 27 Ca -0.01 -0.82 0.00 0.00 -2.27 0.00 0.00 64.05 60.95 1j3w n THR 27 Cb 0.65 -0.52 0.00 0.00 -2.10 0.00 0.00 70.33 68.36 1j3w n THR 27 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1j3w n GLY 28 N 1.67 0.69 3.75 3.38 0.00 -0.19 -3.84 105.19 110.65 1j3w n GLY 28 Ca -0.28 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.44 1j3w n GLY 28 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j3w s ALA 29 N -2.24 2.01 -0.16 4.61 0.00 -1.24 -4.19 121.76 120.55 1j3w s ALA 29 Ca 0.00 0.24 -0.26 0.00 0.00 0.00 0.00 51.96 51.94 1j3w s ALA 29 Cb 0.00 -3.28 -0.23 0.00 0.00 0.00 0.00 23.12 19.61 1j3w s ALA 29 CO 0.00 -2.01 0.56 0.00 0.00 0.00 0.00 175.76 174.31 1j3w h ARG 30 N -1.30 0.00 -4.66 0.00 3.08 -1.19 -3.42 114.38 106.89 1j3w h ARG 30 Ca -0.45 -0.01 -0.34 0.00 0.07 0.00 0.00 59.98 59.25 1j3w h ARG 30 Cb 1.25 0.00 -0.25 0.00 0.08 0.00 0.00 29.97 31.05 1j3w h ARG 30 CO 0.51 1.00 -0.76 0.71 -1.07 0.00 0.00 179.97 180.36 1j3w s TYR 31 N -2.28 0.73 -0.04 3.04 2.02 -0.99 -0.76 117.35 119.08 1j3w s TYR 31 Ca -0.23 -0.29 0.02 0.00 -0.37 0.00 0.00 57.07 56.20 1j3w s TYR 31 Cb 0.00 -0.45 0.01 0.00 -0.40 0.00 0.00 41.96 41.13 1j3w s TYR 31 CO 0.65 -0.03 -0.08 0.00 -1.57 0.00 0.00 175.55 174.53 1j3w s ALA 32 N -0.72 0.87 0.02 3.71 0.00 -0.40 -1.09 121.76 124.15 1j3w s ALA 32 Ca -0.02 -0.24 -0.02 0.00 0.00 0.00 0.00 51.96 51.69 1j3w s ALA 32 Cb -0.06 -0.40 -0.02 0.00 0.00 0.00 0.00 23.12 22.64 1j3w s ALA 32 CO 0.00 0.08 0.00 -0.51 0.00 0.00 0.00 175.76 175.33 1j3w s LEU 33 N 0.55 2.16 -0.17 0.00 1.02 -0.03 -1.16 118.68 121.04 1j3w s LEU 33 Ca -0.09 -0.55 0.00 0.00 0.02 0.00 0.00 54.13 53.52 1j3w s LEU 33 Cb -0.12 0.23 0.01 0.00 0.02 0.00 0.00 46.19 46.33 1j3w s LEU 33 CO 0.01 -0.38 -0.17 -0.22 0.02 0.00 0.00 176.35 175.61 1j3w s LEU 34 N -1.75 2.30 0.19 1.79 2.96 -0.10 -0.52 118.68 123.55 1j3w s LEU 34 Ca -0.11 -0.57 0.08 0.00 -0.22 0.00 0.00 54.13 53.30 1j3w s LEU 34 Cb -0.06 -1.53 -0.05 0.00 0.50 0.00 0.00 46.19 45.06 1j3w s LEU 34 CO -0.02 0.03 -0.15 0.27 -1.32 0.00 0.00 176.35 175.15 1j3w s ILE 35 N 1.15 1.69 0.51 6.68 -4.36 -0.37 -0.45 121.20 126.05 1j3w s ILE 35 Ca 0.01 -2.14 -0.01 0.00 -0.26 0.00 0.00 60.65 58.25 1j3w s ILE 35 Cb -0.14 -1.98 0.01 0.00 1.25 0.00 0.00 42.46 41.60 1j3w s ILE 35 CO -0.07 -0.56 0.75 1.51 0.24 0.00 0.00 174.94 176.81 1j3w s ASP 36 N -3.18 5.65 0.00 4.36 3.84 -0.38 -0.29 116.67 126.67 1j3w s ASP 36 Ca 0.21 0.34 0.08 0.00 -0.00 0.00 0.00 52.55 53.17 1j3w s ASP 36 Cb -0.01 -1.45 0.39 0.00 -1.38 0.00 0.00 42.92 40.47 1j3w s ASP 36 CO 0.06 -0.89 1.08 0.54 -0.00 0.00 0.00 175.17 175.97 1j3w n ARG 37 N -2.27 0.12 0.00 2.11 1.74 -1.00 -1.11 116.66 116.25 1j3w n ARG 37 Ca 0.03 0.19 0.12 0.00 -0.77 0.00 0.00 57.85 57.42 1j3w n ARG 37 Cb 0.58 -1.50 0.15 0.00 -1.02 0.00 0.00 32.46 30.67 1j3w n ARG 37 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1j3w n LYS 38 N -1.25 0.53 0.00 5.56 5.02 -1.26 -4.84 118.16 121.92 1j3w n LYS 38 Ca 0.04 -0.38 0.00 0.00 -2.02 0.00 0.00 58.31 55.95 1j3w n LYS 38 Cb 0.06 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.57 1j3w n LYS 38 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1j3w n GLY 39 N 1.43 0.42 3.76 0.72 0.00 -0.27 -4.95 105.19 106.31 1j3w n GLY 39 Ca 0.08 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.70 1j3w n GLY 39 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1j3w s PHE 40 N -2.00 3.50 -0.24 1.61 0.40 -1.26 -4.01 117.98 115.99 1j3w s PHE 40 Ca 0.00 1.68 -0.23 0.00 -0.60 0.00 0.00 56.93 57.77 1j3w s PHE 40 Cb 0.00 -3.29 -0.01 0.00 0.51 0.00 0.00 43.02 40.23 1j3w s PHE 40 CO 0.00 -0.65 0.76 0.08 0.70 0.00 0.00 175.22 176.11 1j3w s VAL 41 N -1.22 4.89 -0.05 -0.44 1.01 -1.26 -1.25 120.40 122.08 1j3w s VAL 41 Ca 0.46 1.43 0.08 0.00 0.00 0.00 0.00 61.98 63.95 1j3w s VAL 41 Cb -0.31 -4.06 -0.24 0.00 0.00 0.00 0.00 36.38 31.77 1j3w s VAL 41 CO 0.40 -0.03 0.64 -0.07 0.00 0.00 0.00 175.10 176.04 1j3w h LEU 42 N 9.02 0.10 -7.00 3.92 3.38 -1.10 -3.49 115.31 120.14 1j3w h LEU 42 Ca -0.25 -0.21 0.04 0.00 0.09 0.00 0.00 57.88 57.55 1j3w h LEU 42 Cb 1.11 -0.03 -0.23 0.00 0.09 0.00 0.00 40.66 41.59 1j3w h LEU 42 CO 0.84 1.19 0.43 0.00 0.09 0.00 0.00 178.44 180.99 1j3w s ALA 43 N -2.60 -1.91 -0.10 1.53 0.00 -1.07 -4.45 121.76 113.17 1j3w s ALA 43 Ca -0.08 1.66 -0.19 0.00 0.00 0.00 0.00 51.96 53.35 1j3w s ALA 43 Cb 0.08 -0.84 0.04 0.00 0.00 0.00 0.00 23.12 22.40 1j3w s ALA 43 CO 0.82 -0.30 0.46 -3.38 0.00 0.00 0.00 175.76 173.36 1j3w s HIS 44 N -0.62 -0.43 0.01 0.00 -3.43 -1.26 -0.93 115.29 108.63 1j3w s HIS 44 Ca -0.02 0.90 -0.01 0.00 -0.80 0.00 0.00 55.06 55.14 1j3w s HIS 44 Cb -0.02 0.20 -0.01 0.00 -1.43 0.00 0.00 32.58 31.32 1j3w s HIS 44 CO 0.01 -0.37 -0.01 0.15 -2.00 0.00 0.00 174.74 172.52 1j3w s LYS 45 N -0.59 0.24 0.08 -0.38 -0.14 -0.31 -5.02 119.74 113.62 1j3w s LYS 45 Ca -0.07 -0.42 0.09 0.00 -1.36 0.00 0.00 55.97 54.21 1j3w s LYS 45 Cb -0.03 0.09 -0.03 0.00 -1.68 0.00 0.00 37.83 36.17 1j3w s LYS 45 CO 0.04 -0.04 -0.23 -1.21 -0.76 0.00 0.00 175.35 173.15 1j3w s GLU 46 N -1.05 1.38 0.31 1.68 8.01 -1.26 -1.28 118.70 126.50 1j3w s GLU 46 Ca -0.11 -1.13 -0.29 0.00 0.01 0.00 0.00 54.97 53.44 1j3w s GLU 46 Cb -0.07 -1.65 -0.10 0.00 -4.31 0.00 0.00 34.13 28.00 1j3w s GLU 46 CO -0.01 0.40 1.31 0.00 0.01 0.00 0.00 175.26 176.98 1j3w s ALA 47 N -0.97 3.51 0.51 5.21 0.00 0.06 -4.90 121.76 125.18 1j3w s ALA 47 Ca 0.09 1.25 0.18 0.00 0.00 0.00 0.00 51.96 53.48 1j3w s ALA 47 Cb -0.10 -3.48 1.26 0.00 0.00 0.00 0.00 23.12 20.80 1j3w s ALA 47 CO 0.04 -0.63 2.08 -0.07 0.00 0.00 0.00 175.76 177.18 1j3w h LEU 48 N 3.69 0.07 0.00 0.00 3.38 -1.96 -1.94 115.31 118.54 1j3w h LEU 48 Ca -0.48 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.49 1j3w h LEU 48 Cb 1.22 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.96 1j3w h LEU 48 CO 0.67 0.04 -0.33 4.11 0.09 0.00 0.00 178.44 183.02 1j3w h TRP 49 N 0.08 0.00 -4.09 1.13 5.08 -1.97 -3.47 115.95 112.71 1j3w h TRP 49 Ca 0.12 0.00 -0.48 0.00 1.08 0.00 0.00 58.89 59.61 1j3w h TRP 49 Cb 0.37 0.00 0.03 0.00 -3.00 0.00 0.00 29.16 26.57 1j3w h TRP 49 CO -0.00 0.00 0.39 0.00 -1.28 0.00 0.00 178.44 177.55 1j3w s ALA 50 N -3.23 2.84 1.01 0.11 0.00 -0.73 -5.05 121.76 116.70 1j3w s ALA 50 Ca 0.05 0.60 -0.15 0.00 0.00 0.00 0.00 51.96 52.46 1j3w s ALA 50 Cb 0.08 -3.26 0.20 0.00 0.00 0.00 0.00 23.12 20.14 1j3w s ALA 50 CO 0.70 -0.42 1.18 -1.25 0.00 0.00 0.00 175.76 175.97 1j3w s PRO 51 N -3.35 0.31 0.18 0.00 0.04 -1.26 -4.92 135.00 126.00 1j3w s PRO 51 Ca 0.67 -0.02 -0.33 0.00 0.04 0.00 0.00 61.00 61.36 1j3w s PRO 51 Cb -0.17 -1.77 -0.14 0.00 0.04 0.00 0.00 34.50 32.46 1j3w s PRO 51 CO 0.23 -2.70 1.50 1.17 0.04 0.00 0.00 177.00 177.24 1j3w n LYS 52 N -4.05 2.02 -1.62 4.56 4.81 -1.26 -4.94 118.16 117.68 1j3w n LYS 52 Ca 0.11 0.73 -0.30 0.00 -0.87 0.00 0.00 58.31 57.98 1j3w n LYS 52 Cb 0.59 -2.45 0.09 0.00 0.02 0.00 0.00 35.03 33.29 1j3w n LYS 52 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 1j3w s PRO 53 N 0.42 2.07 0.95 1.64 0.04 -1.26 -5.03 135.00 133.83 1j3w s PRO 53 Ca 0.76 0.53 -0.12 0.00 0.04 0.00 0.00 61.00 62.21 1j3w s PRO 53 Cb -0.69 -1.93 0.16 0.00 0.04 0.00 0.00 34.50 32.08 1j3w s PRO 53 CO 0.43 -1.61 1.09 -1.25 0.04 0.00 0.00 177.00 175.70 1j3w s PRO 54 N -5.23 0.85 -0.32 0.56 0.04 -1.26 -4.79 135.00 124.85 1j3w s PRO 54 Ca 0.61 0.67 -0.38 0.00 0.04 0.00 0.00 61.00 61.94 1j3w s PRO 54 Cb -0.14 -1.77 -0.14 0.00 0.04 0.00 0.00 34.50 32.49 1j3w s PRO 54 CO 0.53 -2.48 2.00 -2.30 0.04 0.00 0.00 177.00 174.79 1j3w n PRO 55 N -4.03 1.10 0.12 0.56 -0.02 -1.26 -4.82 135.00 126.66 1j3w n PRO 55 Ca 0.06 0.36 0.00 0.00 -2.02 0.00 0.00 63.50 61.90 1j3w n PRO 55 Cb 0.56 -2.26 0.30 0.00 -0.02 0.00 0.00 33.50 32.08 1j3w n PRO 55 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1j3w h LEU 56 N 9.94 0.18 -0.56 2.45 3.38 -1.99 -1.00 115.31 127.70 1j3w h LEU 56 Ca -0.34 -0.06 -0.12 0.00 0.09 0.00 0.00 57.88 57.44 1j3w h LEU 56 Cb 1.32 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 42.01 1j3w h LEU 56 CO 1.00 0.50 -0.18 -2.24 0.09 0.00 0.00 178.44 177.61 1j3w h ASP 57 N 0.16 0.98 -0.45 -0.43 2.03 -1.94 -0.37 116.42 116.40 1j3w h ASP 57 Ca 0.02 -0.35 -0.10 0.00 -0.73 0.00 0.00 57.03 55.87 1j3w h ASP 57 Cb 0.65 -0.27 -0.01 0.00 -0.83 0.00 0.00 39.33 38.87 1j3w h ASP 57 CO 0.05 1.13 -0.09 0.74 -1.03 0.00 0.00 179.24 180.04 1j3w h THR 58 N 0.84 1.27 -0.22 1.15 2.02 -1.86 -0.71 112.91 115.41 1j3w h THR 58 Ca 0.12 -1.20 0.02 0.00 0.77 0.00 0.00 66.41 66.12 1j3w h THR 58 Cb 0.74 1.12 -0.02 0.00 -1.74 0.00 0.00 68.15 68.26 1j3w h THR 58 CO 0.06 0.41 0.10 0.25 0.37 0.00 0.00 175.52 176.70 1j3w h LEU 59 N 0.69 0.13 -0.78 2.58 5.85 -0.97 -0.49 115.31 122.31 1j3w h LEU 59 Ca 0.12 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.84 1j3w h LEU 59 Cb 0.63 -0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.61 1j3w h LEU 59 CO 0.04 0.11 0.45 0.00 -0.34 0.00 0.00 178.44 178.70 1j3w h ALA 60 N 1.12 1.00 -0.32 1.25 0.00 -0.92 -0.32 119.26 121.08 1j3w h ALA 60 Ca 0.09 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1j3w h ALA 60 Cb 0.04 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 1j3w h ALA 60 CO -0.08 0.50 0.17 1.15 0.00 0.00 0.00 179.25 180.99 1j3w h THR 61 N 1.08 1.13 -0.65 0.00 2.02 -0.71 -0.31 112.91 115.47 1j3w h THR 61 Ca 0.28 -0.34 -0.07 0.00 0.77 0.00 0.00 66.41 67.05 1j3w h THR 61 Cb 0.00 0.78 -0.03 0.00 -1.74 0.00 0.00 68.15 67.17 1j3w h THR 61 CO -0.05 0.13 0.13 -0.07 0.37 0.00 0.00 175.52 176.04 1j3w h LEU 62 N 0.39 0.99 -0.71 2.58 3.38 -0.76 0.13 115.31 121.31 1j3w h LEU 62 Ca 0.11 -0.21 -0.08 0.00 0.09 0.00 0.00 57.88 57.79 1j3w h LEU 62 Cb 0.06 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.52 1j3w h LEU 62 CO -0.02 0.96 0.13 0.58 0.09 0.00 0.00 178.44 180.19 1j3w h VAL 63 N 0.98 1.26 -0.50 1.22 2.07 -0.80 -0.49 116.25 120.00 1j3w h VAL 63 Ca 0.20 -1.02 -0.08 0.00 0.82 0.00 0.00 66.70 66.63 1j3w h VAL 63 Cb 0.38 0.60 -0.02 0.00 -1.52 0.00 0.00 31.29 30.73 1j3w h VAL 63 CO 0.01 0.39 0.01 0.00 0.02 0.00 0.00 177.57 178.00 1j3w h ALA 64 N 1.08 0.67 -0.69 1.67 0.00 -0.60 -0.56 119.26 120.84 1j3w h ALA 64 Ca 0.21 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1j3w h ALA 64 Cb 0.42 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 1j3w h ALA 64 CO 0.01 0.47 0.41 0.78 0.00 0.00 0.00 179.25 180.92 1j3w h GLY 65 N 0.74 1.01 0.98 0.00 0.00 -0.49 -2.44 103.07 102.86 1j3w h GLY 65 Ca 0.14 -0.43 -0.03 0.00 0.00 0.00 0.00 47.33 47.01 1j3w h GLY 65 CO 0.02 0.41 0.20 -0.57 0.00 0.00 0.00 176.54 176.61 1j3w h ASN 66 N 0.94 0.72 -0.37 0.19 -1.24 -0.78 -1.45 115.58 113.59 1j3w h ASN 66 Ca 0.25 -0.18 0.04 0.00 0.71 0.00 0.00 56.30 57.12 1j3w h ASN 66 Cb -0.01 -0.19 -0.02 0.00 0.73 0.00 0.00 38.32 38.83 1j3w h ASN 66 CO -0.04 0.70 0.25 0.00 -1.29 0.00 0.00 177.43 177.05 1j3w h ALA 67 N 1.05 1.91 0.02 1.57 0.00 -0.78 -0.92 119.26 122.11 1j3w h ALA 67 Ca 0.17 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.98 1j3w h ALA 67 Cb 0.21 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 17.92 1j3w h ALA 67 CO -0.01 0.03 -0.35 0.00 0.00 0.00 0.00 179.25 178.92 1j3w h ALA 68 N 1.79 0.02 -0.87 0.00 0.00 -1.07 -3.36 119.26 115.77 1j3w h ALA 68 Ca 0.15 -0.51 0.01 0.00 0.00 0.00 0.00 54.91 54.56 1j3w h ALA 68 Cb 0.18 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 1j3w h ALA 68 CO -0.03 0.15 0.58 0.00 0.00 0.00 0.00 179.25 179.95 1j3w h ALA 69 N 0.22 1.38 0.00 0.00 0.00 -0.63 -2.80 119.26 117.44 1j3w h ALA 69 Ca -0.05 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1j3w h ALA 69 Cb 1.13 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1j3w h ALA 69 CO 0.07 0.57 0.00 0.25 0.00 0.00 0.00 179.25 180.14 1j3w n THR 70 N -4.40 0.17 0.26 0.00 -2.24 -0.41 -3.54 114.28 104.12 1j3w n THR 70 Ca 0.10 0.04 0.14 0.00 -2.27 0.00 0.00 64.05 62.06 1j3w n THR 70 Cb 0.03 -0.68 0.67 0.00 -2.10 0.00 0.00 70.33 68.25 1j3w n THR 70 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 1j3w h GLN 71 N 0.00 0.00 -0.11 -0.78 4.20 -1.66 -1.64 115.11 115.12 1j3w h GLN 71 Ca 0.00 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.69 1j3w h GLN 71 Cb 0.11 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.89 1j3w h GLN 71 CO 0.00 0.11 -0.02 0.00 -0.67 0.00 0.00 178.83 178.25 1j3w h ALA 72 N 1.89 0.15 -0.68 3.87 0.00 -1.80 -0.20 119.26 122.48 1j3w h ALA 72 Ca -0.00 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 1j3w h ALA 72 Cb 0.49 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 1j3w h ALA 72 CO 0.01 -0.12 0.42 -0.07 0.00 0.00 0.00 179.25 179.49 1j3w h LEU 73 N -0.10 0.80 -0.10 0.00 3.38 -1.74 -1.37 115.31 116.18 1j3w h LEU 73 Ca 0.03 -0.05 0.01 0.00 0.09 0.00 0.00 57.88 57.96 1j3w h LEU 73 Cb 0.42 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 1j3w h LEU 73 CO 0.01 0.62 0.03 0.00 0.09 0.00 0.00 178.44 179.18 1j3w h ALA 74 N 1.22 0.10 -0.98 1.53 0.00 -1.13 -2.26 119.26 117.74 1j3w h ALA 74 Ca 0.24 0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.19 1j3w h ALA 74 Cb -0.05 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.70 1j3w h ALA 74 CO -0.05 -0.43 0.65 0.87 0.00 0.00 0.00 179.25 180.29 1j3w h LYS 75 N 0.07 1.25 -0.39 0.00 1.57 -0.67 0.10 116.57 118.50 1j3w h LYS 75 Ca 0.04 -0.08 -0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1j3w h LYS 75 Cb 0.03 -0.28 -0.02 0.00 0.08 0.00 0.00 32.23 32.04 1j3w h LYS 75 CO -0.05 0.83 0.23 1.25 -0.57 0.00 0.00 179.45 181.14 1j3w h LEU 76 N 1.29 0.46 -1.37 2.94 5.85 -0.86 -0.51 115.31 123.10 1j3w h LEU 76 Ca 0.38 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 59.08 1j3w h LEU 76 Cb -0.07 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 40.85 1j3w h LEU 76 CO -0.10 0.36 0.00 0.18 -0.34 0.00 0.00 178.44 178.54 1j3w n LEU 77 N -4.45 2.00 0.00 2.25 4.77 -0.54 -4.90 117.00 116.12 1j3w n LEU 77 Ca 0.03 -1.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.01 1j3w n LEU 77 Cb 0.08 -0.26 0.00 0.00 -2.33 0.00 0.00 43.42 40.91 1j3w n LEU 77 CO 0.36 0.48 0.00 0.61 -1.33 0.00 0.00 177.39 177.51 1j3w n GLY 78 N 1.04 0.48 3.76 -0.72 0.00 -0.20 -5.05 105.19 104.50 1j3w n GLY 78 Ca 0.12 -0.42 -0.27 0.00 0.00 0.00 0.00 46.02 45.45 1j3w n GLY 78 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1j3w s GLU 79 N -0.79 2.78 0.11 1.61 0.41 0.25 -4.97 118.70 118.10 1j3w s GLU 79 Ca 0.00 -0.88 -0.10 0.00 -0.41 0.00 0.00 54.97 53.57 1j3w s GLU 79 Cb 0.00 -2.60 -0.14 0.00 -1.78 0.00 0.00 34.13 29.62 1j3w s GLU 79 CO 0.00 0.50 1.30 0.00 -0.49 0.00 0.00 175.26 176.56 1j3w h ALA 80 N 2.68 0.31 -1.78 5.21 0.00 -1.94 -2.68 119.26 121.06 1j3w h ALA 80 Ca -0.47 -0.64 0.24 0.00 0.00 0.00 0.00 54.91 54.04 1j3w h ALA 80 Cb 1.19 -0.00 -0.14 0.00 0.00 0.00 0.00 17.79 18.84 1j3w h ALA 80 CO 0.62 0.71 0.70 -0.98 0.00 0.00 0.00 179.25 180.30 1j3w s ARG 81 N -3.58 0.60 0.05 0.00 1.70 -1.26 -4.62 118.95 111.83 1j3w s ARG 81 Ca -0.09 -0.29 -0.27 0.00 -0.47 0.00 0.00 55.73 54.62 1j3w s ARG 81 Cb 0.08 0.23 -0.05 0.00 -0.57 0.00 0.00 34.95 34.65 1j3w s ARG 81 CO 0.90 -0.27 0.83 -0.06 -1.08 0.00 0.00 175.30 175.62 1j3w s PHE 82 N -2.71 3.74 -0.05 5.89 0.08 -1.26 -4.96 117.98 118.70 1j3w s PHE 82 Ca 0.11 1.56 -0.08 0.00 0.12 0.00 0.00 56.93 58.63 1j3w s PHE 82 Cb 0.01 -2.91 -0.29 0.00 -0.57 0.00 0.00 43.02 39.26 1j3w s PHE 82 CO -0.04 0.22 0.64 1.96 -0.10 0.00 0.00 175.22 177.90 1j3w h GLN 83 N 5.82 0.34 -5.58 0.44 7.50 -2.01 -3.47 115.11 118.15 1j3w h GLN 83 Ca -0.43 -0.58 -0.58 0.00 0.50 0.00 0.00 58.65 57.56 1j3w h GLN 83 Cb 1.21 0.22 -0.31 0.00 0.05 0.00 0.00 27.48 28.65 1j3w h GLN 83 CO 0.72 1.25 -0.84 -2.00 -1.50 0.00 0.00 178.83 176.45 1j3w s GLU 84 N -2.58 1.75 -0.01 1.46 2.12 -1.26 -1.30 118.70 118.88 1j3w s GLU 84 Ca -0.16 -0.66 -0.01 0.00 0.36 0.00 0.00 54.97 54.50 1j3w s GLU 84 Cb 0.06 -1.58 0.00 0.00 0.26 0.00 0.00 34.13 32.87 1j3w s GLU 84 CO 0.84 0.32 0.02 -1.21 -0.54 0.00 0.00 175.26 174.69 1j3w s GLU 85 N -0.17 0.02 -0.07 4.30 2.02 0.15 -5.01 118.70 119.93 1j3w s GLU 85 Ca 0.01 0.05 0.02 0.00 0.02 0.00 0.00 54.97 55.06 1j3w s GLU 85 Cb -0.10 -0.01 0.01 0.00 0.10 0.00 0.00 34.13 34.13 1j3w s GLU 85 CO 0.01 -0.02 -0.12 0.08 0.02 0.00 0.00 175.26 175.23 1j3w s VAL 86 N 0.12 1.16 -0.15 2.63 1.01 -1.26 -1.07 120.40 122.84 1j3w s VAL 86 Ca -0.01 -0.48 0.02 0.00 0.00 0.00 0.00 61.98 61.51 1j3w s VAL 86 Cb -0.01 -1.07 0.02 0.00 0.00 0.00 0.00 36.38 35.31 1j3w s VAL 86 CO -0.00 0.36 -0.19 -1.00 0.00 0.00 0.00 175.10 174.27 1j3w s HIS 87 N 0.78 2.53 -0.13 5.22 3.76 -0.08 -4.99 115.29 122.39 1j3w s HIS 87 Ca -0.12 -1.36 0.03 0.00 -0.15 0.00 0.00 55.06 53.45 1j3w s HIS 87 Cb -0.15 -1.76 0.01 0.00 1.11 0.00 0.00 32.58 31.78 1j3w s HIS 87 CO 0.02 -0.66 -0.22 -1.14 -0.85 0.00 0.00 174.74 171.89 1j3w s GLN 88 N 1.08 3.05 0.00 1.40 2.00 -1.26 -0.38 119.66 125.55 1j3w s GLN 88 Ca -0.02 -0.85 0.00 0.00 -2.00 0.00 0.00 55.36 52.49 1j3w s GLN 88 Cb -0.14 -2.42 0.00 0.00 0.80 0.00 0.00 33.01 31.25 1j3w s GLN 88 CO -0.07 0.04 0.00 0.41 -0.50 0.00 0.00 175.29 175.18 1j3w n GLY 89 N 3.91 2.51 0.24 2.59 0.00 0.74 -5.01 105.19 110.17 1j3w n GLY 89 Ca -0.20 -2.05 -0.13 0.00 0.00 0.00 0.00 46.02 43.64 1j3w n GLY 89 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1j3w h GLU 90 N 0.00 0.82 0.00 1.61 4.39 -2.03 -3.41 114.58 115.96 1j3w h GLU 90 Ca 0.00 -0.50 0.00 0.00 0.34 0.00 0.00 59.36 59.20 1j3w h GLU 90 Cb 0.00 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 28.70 1j3w h GLU 90 CO 0.00 1.13 -0.86 0.54 -1.16 0.00 0.00 179.01 178.66 1j3w n ARG 91 N -4.00 0.00 -3.43 2.33 1.74 -1.26 -4.99 116.66 107.05 1j3w n ARG 91 Ca -0.04 0.00 -0.35 0.00 -0.77 0.00 0.00 57.85 56.69 1j3w n ARG 91 Cb 0.61 -0.68 -0.06 0.00 -1.02 0.00 0.00 32.46 31.31 1j3w n ARG 91 CO 0.00 0.00 0.00 -1.64 -1.52 0.00 0.00 177.63 174.47 1j3w s MET 92 N -1.93 3.90 0.12 5.56 -1.94 -1.26 -3.05 119.30 120.70 1j3w s MET 92 Ca 0.00 0.37 0.02 0.00 -1.71 0.00 0.00 55.69 54.38 1j3w s MET 92 Cb 0.00 -2.93 -0.04 0.00 2.01 0.00 0.00 34.83 33.87 1j3w s MET 92 CO 0.00 0.49 -0.06 0.20 -0.01 0.00 0.00 175.02 175.64 1j3w s GLY 93 N -1.78 0.89 -0.04 -0.03 0.00 0.40 -0.19 107.32 106.57 1j3w s GLY 93 Ca 0.37 -1.41 0.01 0.00 0.00 0.00 0.00 44.72 43.68 1j3w s GLY 93 CO 0.19 -1.49 -0.03 -2.27 0.00 0.00 0.00 173.10 169.50 1j3w s LEU 94 N -3.09 1.24 -0.12 0.66 2.96 0.49 -1.64 118.68 119.18 1j3w s LEU 94 Ca 0.15 -0.09 0.03 0.00 -0.22 0.00 0.00 54.13 53.99 1j3w s LEU 94 Cb 0.05 -0.37 0.00 0.00 0.50 0.00 0.00 46.19 46.37 1j3w s LEU 94 CO -0.02 -0.08 -0.22 -0.47 -1.32 0.00 0.00 176.35 174.24 1j3w s TYR 95 N 1.00 2.63 -0.04 5.38 5.04 -0.18 -0.90 117.35 130.28 1j3w s TYR 95 Ca -0.10 -1.20 0.02 0.00 -2.44 0.00 0.00 57.07 53.36 1j3w s TYR 95 Cb -0.14 -1.78 0.01 0.00 0.35 0.00 0.00 41.96 40.40 1j3w s TYR 95 CO -0.01 -0.52 -0.10 0.08 -1.34 0.00 0.00 175.55 173.66 1j3w s VAL 96 N 0.61 0.94 -0.01 3.14 1.01 -0.23 -0.62 120.40 125.23 1j3w s VAL 96 Ca -0.12 -0.40 -0.03 0.00 0.00 0.00 0.00 61.98 61.43 1j3w s VAL 96 Cb -0.17 -0.85 0.00 0.00 0.00 0.00 0.00 36.38 35.36 1j3w s VAL 96 CO 0.03 0.30 0.08 -0.62 0.00 0.00 0.00 175.10 174.88 1j3w s ASP 97 N 0.47 0.00 0.26 3.32 2.15 -0.64 -0.67 116.67 121.56 1j3w s ASP 97 Ca -0.09 -0.04 -0.30 0.00 0.43 0.00 0.00 52.55 52.55 1j3w s ASP 97 Cb -0.13 0.17 -0.10 0.00 -0.30 0.00 0.00 42.92 42.56 1j3w s ASP 97 CO 0.02 -0.16 1.46 -1.61 -0.17 0.00 0.00 175.17 174.71 1j3w s GLU 98 N -0.57 4.25 -0.70 4.34 2.02 -0.42 -0.37 118.70 127.25 1j3w s GLU 98 Ca -0.06 2.34 0.05 0.00 0.02 0.00 0.00 54.97 57.31 1j3w s GLU 98 Cb -0.04 -3.10 0.21 0.00 0.10 0.00 0.00 34.13 31.31 1j3w s GLU 98 CO 0.00 -0.44 0.66 0.00 0.02 0.00 0.00 175.26 175.49 1j3w n ALA 99 N 2.27 3.80 0.00 5.21 0.00 -0.13 -4.70 120.51 126.96 1j3w n ALA 99 Ca 0.07 -4.66 0.00 0.00 0.00 0.00 0.00 53.44 48.85 1j3w n ALA 99 Cb 0.40 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.82 1j3w n ALA 99 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1j3w n GLY 100 N 1.43 -2.50 0.24 0.00 0.00 -1.26 -3.56 105.19 99.54 1j3w n GLY 100 Ca 0.25 -1.71 0.14 0.00 0.00 0.00 0.00 46.02 44.69 1j3w n GLY 100 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1j3w h GLU 101 N 0.00 0.00 0.00 1.61 4.39 -1.95 -3.35 114.58 115.28 1j3w h GLU 101 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1j3w h GLU 101 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 1j3w h GLU 101 CO 0.00 0.03 -0.01 0.72 -1.16 0.00 0.00 179.01 178.60 1j3w n HIS 102 N -3.12 0.00 -4.11 4.33 8.25 -1.26 -4.98 115.22 114.33 1j3w n HIS 102 Ca 0.02 -0.56 -0.10 0.00 -0.26 0.00 0.00 57.72 56.82 1j3w n HIS 102 Cb 0.44 -0.07 -0.09 0.00 1.12 0.00 0.00 29.99 31.39 1j3w n HIS 102 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1j3w s ALA 103 N -1.29 0.67 -0.01 -1.41 0.00 -1.23 -2.37 121.76 116.11 1j3w s ALA 103 Ca 0.06 -1.34 0.01 0.00 0.00 0.00 0.00 51.96 50.69 1j3w s ALA 103 Cb 0.05 0.85 0.00 0.00 0.00 0.00 0.00 23.12 24.03 1j3w s ALA 103 CO 0.01 -0.52 -0.04 -0.51 0.00 0.00 0.00 175.76 174.69 1j3w s LEU 104 N -3.03 1.87 -0.11 0.00 1.43 0.61 -0.96 118.68 118.49 1j3w s LEU 104 Ca 0.22 -0.08 -0.15 0.00 -1.03 0.00 0.00 54.13 53.08 1j3w s LEU 104 Cb 0.07 -0.26 -0.05 0.00 0.03 0.00 0.00 46.19 45.98 1j3w s LEU 104 CO 0.01 0.03 0.38 -0.22 0.23 0.00 0.00 176.35 176.78 1j3w s LEU 105 N 0.08 4.31 -0.09 1.79 2.96 0.49 -1.24 118.68 126.99 1j3w s LEU 105 Ca -0.01 0.72 0.02 0.00 -0.22 0.00 0.00 54.13 54.65 1j3w s LEU 105 Cb -0.04 -2.53 0.01 0.00 0.50 0.00 0.00 46.19 44.13 1j3w s LEU 105 CO -0.00 0.12 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.29 1j3w s VAL 106 N 0.15 1.52 -0.09 1.68 1.01 0.32 -1.62 120.40 123.37 1j3w s VAL 106 Ca 0.21 -0.69 0.03 0.00 0.00 0.00 0.00 61.98 61.53 1j3w s VAL 106 Cb -0.14 -1.37 0.01 0.00 0.00 0.00 0.00 36.38 34.88 1j3w s VAL 106 CO 0.08 0.44 -0.17 -0.76 0.00 0.00 0.00 175.10 174.69 1j3w s LEU 107 N 0.71 1.82 -0.17 3.92 1.43 0.21 -0.85 118.68 125.75 1j3w s LEU 107 Ca -0.12 -0.43 -0.04 0.00 -1.03 0.00 0.00 54.13 52.50 1j3w s LEU 107 Cb -0.16 -1.11 -0.03 0.00 0.03 0.00 0.00 46.19 44.92 1j3w s LEU 107 CO 0.03 0.06 -0.02 -0.69 0.23 0.00 0.00 176.35 175.97 1j3w s VAL 108 N 0.69 4.01 0.11 -1.59 1.01 -0.25 -1.01 120.40 123.38 1j3w s VAL 108 Ca -0.13 -0.31 -0.02 0.00 0.00 0.00 0.00 61.98 61.52 1j3w s VAL 108 Cb -0.16 -2.78 -0.04 0.00 0.00 0.00 0.00 36.38 33.41 1j3w s VAL 108 CO 0.03 0.47 0.06 0.72 0.00 0.00 0.00 175.10 176.39 1j3w s PHE 109 N 0.53 0.71 0.00 5.22 -0.12 -0.65 -0.56 117.98 123.11 1j3w s PHE 109 Ca -0.02 -1.13 0.00 0.00 -0.05 0.00 0.00 56.93 55.73 1j3w s PHE 109 Cb -0.14 -0.40 0.00 0.00 -0.63 0.00 0.00 43.02 41.85 1j3w s PHE 109 CO 0.02 -0.51 0.00 -0.40 -0.05 0.00 0.00 175.22 174.29 1j3w n ASP 110 N -0.06 1.84 0.23 1.98 3.85 -1.26 -0.45 116.55 122.68 1j3w n ASP 110 Ca -0.08 -0.58 0.16 0.00 -0.71 0.00 0.00 54.79 53.58 1j3w n ASP 110 Cb 0.63 0.00 0.79 0.00 -1.35 0.00 0.00 41.12 41.19 1j3w n ASP 110 CO 0.00 0.00 0.00 1.05 -1.01 0.00 0.00 177.20 177.24 1j3w h GLU 111 N 0.00 0.00 -0.01 0.11 9.09 -1.92 -2.32 114.58 119.53 1j3w h GLU 111 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 1j3w h GLU 111 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.10 1j3w h GLU 111 CO 0.00 0.00 0.00 0.25 0.05 0.00 0.00 179.01 179.31 1j3w n THR 112 N -2.61 0.00 -3.71 -1.06 -2.24 -1.26 -4.60 114.28 98.81 1j3w n THR 112 Ca -0.01 -0.08 -0.38 0.00 -2.27 0.00 0.00 64.05 61.30 1j3w n THR 112 Cb 0.10 -0.17 -0.12 0.00 -2.10 0.00 0.00 70.33 68.04 1j3w n THR 112 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1j3w s ALA 113 N -2.00 3.13 0.17 6.98 0.00 -0.87 -4.77 121.76 124.40 1j3w s ALA 113 Ca 0.44 -1.91 -0.32 0.00 0.00 0.00 0.00 51.96 50.17 1j3w s ALA 113 Cb 0.21 -2.40 -0.12 0.00 0.00 0.00 0.00 23.12 20.82 1j3w s ALA 113 CO 0.35 -1.46 1.77 -2.30 0.00 0.00 0.00 175.76 174.12 1j3w n PRO 114 N 4.83 2.77 -0.31 0.00 -0.02 -1.25 -4.85 135.00 136.17 1j3w n PRO 114 Ca -0.11 1.00 0.07 0.00 -2.02 0.00 0.00 63.50 62.44 1j3w n PRO 114 Cb 0.44 -2.86 0.27 0.00 -0.02 0.00 0.00 33.50 31.33 1j3w n PRO 114 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1j3w h LEU 115 N 7.45 0.86 -1.25 2.45 5.85 -1.94 -0.75 115.31 127.97 1j3w h LEU 115 Ca -0.44 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.28 1j3w h LEU 115 Cb 1.21 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 42.06 1j3w h LEU 115 CO 0.95 0.50 0.30 1.23 -0.34 0.00 0.00 178.44 181.08 1j3w h GLY 116 N 0.95 0.87 1.10 3.75 0.00 -1.99 -1.21 103.07 106.54 1j3w h GLY 116 Ca 0.43 -0.39 -0.19 0.00 0.00 0.00 0.00 47.33 47.18 1j3w h GLY 116 CO -0.19 0.38 -0.60 0.50 0.00 0.00 0.00 176.54 176.63 1j3w h LYS 117 N 0.82 0.79 -0.35 4.80 1.79 -1.54 -1.68 116.57 121.19 1j3w h LYS 117 Ca 0.21 -0.56 0.03 0.00 -2.18 0.00 0.00 60.65 58.15 1j3w h LYS 117 Cb 0.06 0.09 -0.03 0.00 -1.58 0.00 0.00 32.23 30.77 1j3w h LYS 117 CO -0.03 1.18 0.15 0.28 -1.08 0.00 0.00 179.45 179.95 1j3w h VAL 118 N 0.53 0.93 -0.25 0.50 2.07 -0.65 -0.84 116.25 118.54 1j3w h VAL 118 Ca -0.01 -0.11 -0.19 0.00 0.82 0.00 0.00 66.70 67.21 1j3w h VAL 118 Cb 1.22 0.60 0.00 0.00 -1.52 0.00 0.00 31.29 31.59 1j3w h VAL 118 CO 0.13 0.06 -0.58 0.11 0.02 0.00 0.00 177.57 177.31 1j3w h LYS 119 N 0.31 0.80 0.79 1.57 1.57 -1.24 0.24 116.57 120.61 1j3w h LYS 119 Ca 0.16 -0.53 -0.04 0.00 -1.87 0.00 0.00 60.65 58.37 1j3w h LYS 119 Cb 0.10 0.07 0.01 0.00 0.08 0.00 0.00 32.23 32.49 1j3w h LYS 119 CO -0.14 1.15 -0.38 1.25 -0.57 0.00 0.00 179.45 180.77 1j3w h LEU 120 N 0.61 -0.90 -0.68 2.94 5.85 -1.12 -1.35 115.31 120.66 1j3w h LEU 120 Ca 0.00 0.02 -0.08 0.00 0.84 0.00 0.00 57.88 58.67 1j3w h LEU 120 Cb 1.18 0.23 -0.01 0.00 0.37 0.00 0.00 40.66 42.43 1j3w h LEU 120 CO 0.12 -0.55 -0.36 0.45 -0.34 0.00 0.00 178.44 177.76 1j3w h HIS 121 N -1.23 0.00 -0.50 1.25 3.86 -1.26 -2.66 115.15 114.61 1j3w h HIS 121 Ca -0.11 0.00 -0.09 0.00 -1.16 0.00 0.00 60.37 59.01 1j3w h HIS 121 Cb 0.83 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.28 1j3w h HIS 121 CO -0.00 0.36 -0.03 0.78 0.86 0.00 0.00 177.93 179.90 1j3w h GLY 122 N 2.56 0.98 1.02 2.45 0.00 -0.52 -0.24 103.07 109.33 1j3w h GLY 122 Ca -0.00 -0.75 -0.07 0.00 0.00 0.00 0.00 47.33 46.51 1j3w h GLY 122 CO 0.05 0.69 0.08 1.70 0.00 0.00 0.00 176.54 179.05 1j3w h LYS 123 N 0.77 0.93 -0.71 4.80 1.63 -1.08 -0.75 116.57 122.16 1j3w h LYS 123 Ca 0.14 -0.26 -0.05 0.00 -0.85 0.00 0.00 60.65 59.63 1j3w h LYS 123 Cb 0.56 -0.11 -0.03 0.00 -0.60 0.00 0.00 32.23 32.06 1j3w h LYS 123 CO 0.03 0.90 0.25 0.00 -3.45 0.00 0.00 179.45 177.19 1j3w h ARG 124 N 0.82 1.08 -0.38 1.90 3.08 -1.30 -2.35 114.38 117.23 1j3w h ARG 124 Ca 0.17 -0.20 -0.06 0.00 0.07 0.00 0.00 59.98 59.96 1j3w h ARG 124 Cb 0.43 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.30 1j3w h ARG 124 CO 0.01 0.90 0.01 0.00 -1.07 0.00 0.00 179.97 179.82 1j3w h ALA 125 N 1.23 0.51 -0.75 0.04 0.00 -0.67 -1.83 119.26 117.78 1j3w h ALA 125 Ca 0.24 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1j3w h ALA 125 Cb 0.25 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 1j3w h ALA 125 CO -0.01 0.27 0.39 0.66 0.00 0.00 0.00 179.25 180.56 1j3w h SER 126 N 0.49 0.95 -0.39 0.00 4.64 -0.93 0.71 113.55 119.02 1j3w h SER 126 Ca 0.11 -0.09 -0.10 0.00 -0.47 0.00 0.00 61.79 61.24 1j3w h SER 126 Cb 0.45 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 62.29 1j3w h SER 126 CO 0.02 0.78 -0.17 -0.08 -0.87 0.00 0.00 176.83 176.51 1j3w h GLU 127 N 1.06 0.79 -0.70 4.77 4.81 -1.29 -0.44 114.58 123.58 1j3w h GLU 127 Ca 0.26 -0.34 -0.03 0.00 -0.13 0.00 0.00 59.36 59.13 1j3w h GLU 127 Cb 0.06 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.38 1j3w h GLU 127 CO -0.04 0.96 0.34 0.00 -0.73 0.00 0.00 179.01 179.54 1j3w h ALA 128 N 0.81 0.90 -0.00 2.92 0.00 -0.83 -2.37 119.26 120.69 1j3w h ALA 128 Ca 0.09 -0.15 -0.11 0.00 0.00 0.00 0.00 54.91 54.75 1j3w h ALA 128 Cb 0.71 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1j3w h ALA 128 CO 0.05 0.47 -0.51 -0.07 0.00 0.00 0.00 179.25 179.20 1j3w h LEU 129 N 0.98 0.01 -0.62 0.00 3.38 -0.75 -2.32 115.31 115.99 1j3w h LEU 129 Ca 0.24 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.18 1j3w h LEU 129 Cb 0.12 -0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 1j3w h LEU 129 CO -0.03 0.52 0.29 0.00 0.09 0.00 0.00 178.44 179.30 1j3w h ALA 130 N 1.48 0.80 -0.54 1.53 0.00 -0.58 0.83 119.26 122.78 1j3w h ALA 130 Ca -0.00 -0.14 -0.12 0.00 0.00 0.00 0.00 54.91 54.64 1j3w h ALA 130 Cb 0.90 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 1j3w h ALA 130 CO 0.07 0.38 -0.12 0.00 0.00 0.00 0.00 179.25 179.57 1j3w h ARG 131 N 0.85 1.04 -0.36 0.00 3.08 -1.20 -2.77 114.38 115.02 1j3w h ARG 131 Ca 0.21 -0.39 -0.07 0.00 0.07 0.00 0.00 59.98 59.80 1j3w h ARG 131 Cb 0.14 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.12 1j3w h ARG 131 CO -0.02 1.09 -0.03 0.82 -1.07 0.00 0.00 179.97 180.75 1j3w h ILE 132 N 0.92 1.27 -0.59 2.04 2.04 -1.12 -2.79 117.51 119.29 1j3w h ILE 132 Ca 0.14 -1.05 0.05 0.00 1.00 0.00 0.00 64.86 64.99 1j3w h ILE 132 Cb 0.70 1.22 -0.05 0.00 -0.74 0.00 0.00 36.82 37.95 1j3w h ILE 132 CO 0.05 0.35 0.32 0.00 0.00 0.00 0.00 178.15 178.87 1j3w h ALA 133 N 0.85 0.77 0.71 1.87 0.00 -0.79 -0.80 119.26 121.86 1j3w h ALA 133 Ca 0.10 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 1j3w h ALA 133 Cb 0.51 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.20 1j3w h ALA 133 CO 0.03 0.00 -0.34 0.93 0.00 0.00 0.00 179.25 179.87 1j3w h GLU 134 N 0.62 -0.91 -0.29 0.00 5.08 -1.46 -3.00 114.58 114.62 1j3w h GLU 134 Ca 0.25 0.06 0.08 0.00 -1.00 0.00 0.00 59.36 58.75 1j3w h GLU 134 Cb 0.13 0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 1j3w h GLU 134 CO -0.15 -0.58 0.20 0.93 -1.00 0.00 0.00 179.01 178.41 1j3w h GLU 135 N -1.10 0.03 0.00 2.33 5.08 -1.43 -3.52 114.58 115.97 1j3w h GLU 135 Ca -0.10 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 1j3w h GLU 135 Cb 0.75 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.00 1j3w h GLU 135 CO 0.16 0.02 0.00 0.00 -1.00 0.00 0.00 179.01 178.19