#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f0p s LYS 2 N 0.00 4.18 0.00 2.12 1.02 -1.26 -4.92 119.74 120.88 3f0p s LYS 2 Ca 0.00 1.19 0.26 0.00 0.02 0.00 0.00 55.97 57.44 3f0p s LYS 2 Cb 0.00 -3.67 0.60 0.00 -0.52 0.00 0.00 37.83 34.24 3f0p s LYS 2 CO 0.00 -0.69 1.48 1.28 -0.92 0.00 0.00 175.35 176.50 3f0p n LEU 3 N 6.41 1.71 -0.24 3.17 4.77 -1.26 -4.48 117.00 127.08 3f0p n LEU 3 Ca 0.11 -0.56 0.04 0.00 -0.03 0.00 0.00 56.01 55.57 3f0p n LEU 3 Cb 0.47 -0.04 0.16 0.00 -2.33 0.00 0.00 43.42 41.68 3f0p n LEU 3 CO 0.53 0.30 0.96 0.00 -1.33 0.00 0.00 177.39 177.85 3f0p h ALA 4 N 4.10 0.92 -0.50 -1.18 0.00 -2.00 -0.73 119.26 119.88 3f0p h ALA 4 Ca 0.00 0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 3f0p h ALA 4 Cb 0.64 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 3f0p h ALA 4 CO 0.00 -0.28 0.28 -1.35 0.00 0.00 0.00 179.25 177.90 3f0p h PRO 5 N 0.33 0.67 -0.24 0.00 0.11 -2.00 -0.25 132.00 130.63 3f0p h PRO 5 Ca 0.38 -0.06 -0.20 0.00 0.11 0.00 0.00 66.00 66.24 3f0p h PRO 5 Cb 0.61 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 31.58 3f0p h PRO 5 CO -0.44 0.49 -0.63 1.88 -0.21 0.00 0.00 178.00 179.09 3f0p h TYR 6 N 0.68 1.07 -0.47 0.65 -1.99 -1.48 -1.64 116.97 113.79 3f0p h TYR 6 Ca 0.18 -0.41 -0.03 0.00 2.00 0.00 0.00 58.73 60.46 3f0p h TYR 6 Cb 0.00 -0.19 -0.02 0.00 2.00 0.00 0.00 36.73 38.52 3f0p h TYR 6 CO 0.00 1.24 0.18 0.82 -0.00 0.00 0.00 178.16 180.40 3f0p h ILE 7 N 0.61 1.21 -0.57 -2.88 2.04 -0.95 -1.08 117.51 115.90 3f0p h ILE 7 Ca -0.01 -0.67 0.01 0.00 1.00 0.00 0.00 64.86 65.18 3f0p h ILE 7 Cb 1.24 0.77 -0.03 0.00 -0.74 0.00 0.00 36.82 38.07 3f0p h ILE 7 CO 0.14 0.25 0.38 0.25 0.00 0.00 0.00 178.15 179.16 3f0p h LEU 8 N 0.62 0.65 -0.38 1.44 5.85 -0.93 -1.15 115.31 121.42 3f0p h LEU 8 Ca 0.16 -0.02 -0.18 0.00 0.84 0.00 0.00 57.88 58.68 3f0p h LEU 8 Cb 0.22 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.07 3f0p h LEU 8 CO -0.01 0.47 -0.81 -0.33 -0.34 0.00 0.00 178.44 177.43 3f0p h GLU 9 N 0.77 0.20 -0.51 1.25 4.39 -1.18 -1.14 114.58 118.36 3f0p h GLU 9 Ca 0.21 -0.20 0.02 0.00 0.34 0.00 0.00 59.36 59.73 3f0p h GLU 9 Cb -0.09 0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 28.58 3f0p h GLU 9 CO -0.05 0.90 0.32 -0.07 -1.16 0.00 0.00 179.01 178.96 3f0p h LEU 10 N 0.12 0.54 -0.41 1.33 3.38 -0.92 -2.94 115.31 116.41 3f0p h LEU 10 Ca -0.03 -0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.82 3f0p h LEU 10 Cb 1.40 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 42.02 3f0p h LEU 10 CO 0.12 0.39 -0.18 -0.07 0.09 0.00 0.00 178.44 178.79 3f0p h LEU 11 N 0.65 0.88 -8.28 1.67 3.38 -1.09 -3.51 115.31 109.00 3f0p h LEU 11 Ca 0.20 -0.40 -0.30 0.00 0.09 0.00 0.00 57.88 57.47 3f0p h LEU 11 Cb -0.03 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.44 3f0p h LEU 11 CO -0.07 1.08 0.77 -0.89 0.09 0.00 0.00 178.44 179.42 3f0p s THR 12 N -4.66 3.38 0.10 0.22 2.01 -0.44 -5.11 115.64 111.15 3f0p s THR 12 Ca -0.12 -0.24 0.02 0.00 0.31 0.00 0.00 61.69 61.66 3f0p s THR 12 Cb 0.11 -3.88 -0.04 0.00 0.01 0.00 0.00 72.50 68.70 3f0p s THR 12 CO 0.84 -0.83 0.17 -0.83 -0.69 0.00 0.00 174.62 173.28 3f0p s GLY 19 N 8.40 1.96 0.35 4.40 0.00 -1.26 -5.07 107.32 116.10 3f0p s GLY 19 Ca 0.72 -1.00 0.06 0.00 0.00 0.00 0.00 44.72 44.51 3f0p s GLY 19 CO 0.04 -0.99 1.87 -0.91 0.00 0.00 0.00 173.10 173.11 3f0p h THR 20 N 2.14 1.20 -0.56 0.90 1.35 -2.00 -3.07 112.91 112.87 3f0p h THR 20 Ca -0.47 -0.84 0.01 0.00 -0.55 0.00 0.00 66.41 64.56 3f0p h THR 20 Cb 1.17 1.11 -0.03 0.00 -1.73 0.00 0.00 68.15 68.68 3f0p h THR 20 CO 0.69 0.27 0.37 0.00 -0.25 0.00 0.00 175.52 176.60 3f0p h ALA 21 N 1.54 0.70 0.00 6.62 0.00 -2.00 -1.81 119.26 124.31 3f0p h ALA 21 Ca 0.08 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 3f0p h ALA 21 Cb 0.39 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 3f0p h ALA 21 CO 0.02 0.14 -0.10 -0.44 0.00 0.00 0.00 179.25 178.87 3f0p h ASP 22 N 0.75 0.00 0.58 0.00 3.32 -1.92 -3.08 116.42 116.07 3f0p h ASP 22 Ca 0.20 0.00 -0.28 0.00 0.02 0.00 0.00 57.03 56.97 3f0p h ASP 22 Cb -0.09 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.43 3f0p h ASP 22 CO -0.04 0.10 -1.51 0.25 -1.72 0.00 0.00 179.24 176.32 3f0p h LEU 23 N 0.00 0.11 0.02 1.55 5.85 -1.47 -3.40 115.31 117.97 3f0p h LEU 23 Ca -0.00 -0.18 0.03 0.00 0.84 0.00 0.00 57.88 58.56 3f0p h LEU 23 Cb 0.73 -0.04 -0.05 0.00 0.37 0.00 0.00 40.66 41.67 3f0p h LEU 23 CO 0.01 1.16 -0.29 0.25 -0.34 0.00 0.00 178.44 179.23 3f0p h LEU 24 N 0.02 -0.86 -0.11 2.25 5.85 -1.24 -1.91 115.31 119.31 3f0p h LEU 24 Ca -0.22 0.11 -0.00 0.00 0.84 0.00 0.00 57.88 58.61 3f0p h LEU 24 Cb 1.96 0.35 -0.01 0.00 0.37 0.00 0.00 40.66 43.33 3f0p h LEU 24 CO 0.11 -0.36 0.06 0.58 -0.34 0.00 0.00 178.44 178.49 3f0p h VAL 25 N -0.45 1.08 -0.83 1.05 2.07 -1.78 0.00 116.25 117.39 3f0p h VAL 25 Ca 0.06 -0.21 0.01 0.00 0.82 0.00 0.00 66.70 67.37 3f0p h VAL 25 Cb 0.53 1.02 -0.04 0.00 -1.52 0.00 0.00 31.29 31.28 3f0p h VAL 25 CO -0.24 0.07 0.54 -0.65 0.02 0.00 0.00 177.57 177.31 3f0p h PRO 26 N 0.09 1.10 -0.35 1.57 0.11 -1.76 -0.61 132.00 132.15 3f0p h PRO 26 Ca 0.04 -0.07 -0.09 0.00 0.11 0.00 0.00 66.00 65.98 3f0p h PRO 26 Cb 0.06 -0.24 -0.01 0.00 0.11 0.00 0.00 31.00 30.91 3f0p h PRO 26 CO -0.01 0.74 -0.14 1.25 -0.21 0.00 0.00 178.00 179.64 3f0p h LEU 27 N 1.13 0.73 -0.66 2.35 5.85 -0.96 -0.56 115.31 123.20 3f0p h LEU 27 Ca 0.30 -0.39 -0.00 0.00 0.84 0.00 0.00 57.88 58.63 3f0p h LEU 27 Cb -0.11 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 40.69 3f0p h LEU 27 CO -0.06 0.96 0.41 -0.07 -0.34 0.00 0.00 178.44 179.33 3f0p h LEU 28 N 0.50 0.78 -1.10 2.25 3.38 -0.67 0.13 115.31 120.57 3f0p h LEU 28 Ca 0.08 -0.05 -0.08 0.00 0.09 0.00 0.00 57.88 57.92 3f0p h LEU 28 Cb 0.66 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 3f0p h LEU 28 CO 0.05 0.60 -0.20 0.03 0.09 0.00 0.00 178.44 179.01 3f0p h ARG 29 N 0.89 0.40 -0.11 1.13 3.08 -0.92 -0.33 114.38 118.51 3f0p h ARG 29 Ca 0.24 -0.13 -0.10 0.00 0.07 0.00 0.00 59.98 60.06 3f0p h ARG 29 Cb -0.05 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 29.97 3f0p h ARG 29 CO -0.05 0.59 -0.30 0.93 -1.07 0.00 0.00 179.97 180.07 3f0p h GLU 30 N 0.36 0.40 0.00 0.04 4.39 -0.56 -3.17 114.58 116.05 3f0p h GLU 30 Ca 0.06 -0.28 -0.03 0.00 0.34 0.00 0.00 59.36 59.45 3f0p h GLU 30 Cb 0.56 0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 29.25 3f0p h GLU 30 CO 0.04 0.90 -0.13 -0.07 -1.16 0.00 0.00 179.01 178.59 3f0p h LEU 31 N -0.02 0.00 -2.46 1.33 3.38 -0.52 -1.57 115.31 115.45 3f0p h LEU 31 Ca -0.01 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 3f0p h LEU 31 Cb 0.91 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.66 3f0p h LEU 31 CO 0.07 0.13 -0.00 0.00 0.09 0.00 0.00 178.44 178.72 3f0p h ALA 32 N 1.87 1.01 0.00 1.53 0.00 -1.03 -1.24 119.26 121.40 3f0p h ALA 32 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3f0p h ALA 32 Cb 0.30 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3f0p h ALA 32 CO 0.02 0.00 0.00 1.63 0.00 0.00 0.00 179.25 180.90 3f0p n LYS 33 N -3.10 0.04 -0.49 0.00 5.02 -0.59 -4.92 118.16 114.13 3f0p n LYS 33 Ca -0.02 0.19 0.00 0.00 -2.02 0.00 0.00 58.31 56.47 3f0p n LYS 33 Cb 0.15 -1.57 0.00 0.00 -0.02 0.00 0.00 35.03 33.60 3f0p n LYS 33 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3f0p n GLY 34 N 0.53 0.75 3.36 0.72 0.00 -0.47 -5.06 105.19 105.02 3f0p n GLY 34 Ca 0.04 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.88 3f0p n GLY 34 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3f0p s ARG 35 N -0.51 1.36 0.64 1.61 0.52 -1.26 -5.05 118.95 116.26 3f0p s ARG 35 Ca 0.00 -1.61 -0.18 0.00 -0.52 0.00 0.00 55.73 53.42 3f0p s ARG 35 Cb 0.00 -1.16 -0.01 0.00 0.52 0.00 0.00 34.95 34.29 3f0p s ARG 35 CO 0.00 0.19 1.27 -2.14 0.02 0.00 0.00 175.30 174.64 3f0p s PRO 36 N -3.64 2.63 -0.15 3.54 0.02 -1.26 -4.67 135.00 131.47 3f0p s PRO 36 Ca 0.23 1.99 -0.00 0.00 0.02 0.00 0.00 61.00 63.25 3f0p s PRO 36 Cb -0.01 -1.86 -0.01 0.00 0.02 0.00 0.00 34.50 32.64 3f0p s PRO 36 CO 0.08 -1.52 -0.14 0.08 -0.33 0.00 0.00 177.00 175.17 3f0p s VAL 37 N -1.47 2.85 0.36 3.83 1.01 -0.01 -4.91 120.40 122.06 3f0p s VAL 37 Ca 0.81 -0.72 -0.10 0.00 0.00 0.00 0.00 61.98 61.98 3f0p s VAL 37 Cb -0.35 -2.20 -0.06 0.00 0.00 0.00 0.00 36.38 33.76 3f0p s VAL 37 CO 0.38 0.51 0.71 -0.94 0.00 0.00 0.00 175.10 175.77 3f0p s SER 38 N 0.65 6.53 0.44 3.32 1.04 -1.26 -0.39 113.70 124.03 3f0p s SER 38 Ca -0.07 1.05 0.12 0.00 0.48 0.00 0.00 55.95 57.52 3f0p s SER 38 Cb -0.16 -2.28 0.99 0.00 0.10 0.00 0.00 66.02 64.67 3f0p s SER 38 CO 0.02 -0.32 2.04 0.03 0.98 0.00 0.00 173.24 175.99 3f0p h ARG 39 N 1.49 0.21 -0.25 4.02 3.08 -1.99 -2.40 114.38 118.55 3f0p h ARG 39 Ca -0.47 -0.03 -0.13 0.00 0.07 0.00 0.00 59.98 59.42 3f0p h ARG 39 Cb 1.19 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 31.18 3f0p h ARG 39 CO 0.65 0.22 -0.38 1.79 -1.07 0.00 0.00 179.97 181.18 3f0p h THR 40 N 0.21 1.30 -0.42 2.04 1.35 -1.99 -0.71 112.91 114.69 3f0p h THR 40 Ca 0.05 -1.53 0.00 0.00 -0.55 0.00 0.00 66.41 64.39 3f0p h THR 40 Cb 0.12 1.52 -0.02 0.00 -1.73 0.00 0.00 68.15 68.04 3f0p h THR 40 CO 0.00 0.48 0.27 0.74 -0.25 0.00 0.00 175.52 176.76 3f0p h THR 41 N 0.46 1.11 -0.30 6.82 2.02 -1.85 -1.57 112.91 119.61 3f0p h THR 41 Ca 0.04 -0.22 -0.02 0.00 0.77 0.00 0.00 66.41 66.98 3f0p h THR 41 Cb 0.87 0.52 -0.01 0.00 -1.74 0.00 0.00 68.15 67.78 3f0p h THR 41 CO 0.07 0.11 0.10 -0.07 0.37 0.00 0.00 175.52 176.10 3f0p h LEU 42 N 0.56 0.43 -1.55 2.58 3.38 -1.29 -1.27 115.31 118.15 3f0p h LEU 42 Ca 0.15 -0.20 0.05 0.00 0.09 0.00 0.00 57.88 57.97 3f0p h LEU 42 Cb -0.05 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.55 3f0p h LEU 42 CO -0.03 0.52 0.37 0.00 0.09 0.00 0.00 178.44 179.38 3f0p h ALA 43 N 0.93 1.80 -0.22 1.53 0.00 -1.05 -1.19 119.26 121.06 3f0p h ALA 43 Ca 0.10 -0.02 -0.18 0.00 0.00 0.00 0.00 54.91 54.80 3f0p h ALA 43 Cb 0.24 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 3f0p h ALA 43 CO -0.00 0.12 -0.59 0.78 0.00 0.00 0.00 179.25 179.56 3f0p h GLY 44 N 0.57 0.79 0.82 0.00 0.00 -0.76 0.17 103.07 104.66 3f0p h GLY 44 Ca 0.23 -0.95 -0.06 0.00 0.00 0.00 0.00 47.33 46.54 3f0p h GLY 44 CO -0.06 0.85 -0.12 -2.22 0.00 0.00 0.00 176.54 174.99 3f0p h ILE 45 N 0.54 1.31 -0.00 2.60 2.04 -0.62 -3.12 117.51 120.26 3f0p h ILE 45 Ca 0.00 -1.21 0.00 0.00 1.00 0.00 0.00 64.86 64.65 3f0p h ILE 45 Cb 1.17 1.66 0.00 0.00 -0.74 0.00 0.00 36.82 38.91 3f0p h ILE 45 CO 0.12 0.37 -0.13 0.18 0.00 0.00 0.00 178.15 178.69 3f0p n LEU 46 N -4.52 0.24 -3.81 1.44 4.77 -0.51 -4.94 117.00 109.66 3f0p n LEU 46 Ca -0.05 0.23 -0.34 0.00 -0.03 0.00 0.00 56.01 55.82 3f0p n LEU 46 Cb 0.35 -0.33 0.02 0.00 -2.33 0.00 0.00 43.42 41.13 3f0p n LEU 46 CO 0.40 0.05 -0.12 -0.67 -1.33 0.00 0.00 177.39 175.72 3f0p n ASP 47 N -1.31 -4.96 -4.43 -1.43 2.03 0.40 -5.00 116.55 101.85 3f0p n ASP 47 Ca 0.10 -1.05 -0.28 0.00 0.52 0.00 0.00 54.79 54.08 3f0p n ASP 47 Cb 0.31 -2.50 -0.12 0.00 -0.72 0.00 0.00 41.12 38.09 3f0p n ASP 47 CO 0.00 0.00 0.00 0.26 -1.92 0.00 0.00 177.20 175.54 3f0p s TRP 48 N -3.35 2.36 0.56 -0.67 0.52 -0.06 -5.03 118.94 113.27 3f0p s TRP 48 Ca 0.35 -0.34 -0.20 0.00 0.02 0.00 0.00 56.10 55.94 3f0p s TRP 48 Cb -0.16 -1.22 -0.05 0.00 -1.15 0.00 0.00 33.47 30.89 3f0p s TRP 48 CO 0.90 0.43 1.17 -2.14 0.02 0.00 0.00 176.95 177.34 3f0p s PRO 49 N -2.41 3.23 0.35 4.98 0.02 -1.26 -4.67 135.00 135.23 3f0p s PRO 49 Ca 0.18 1.73 0.12 0.00 0.02 0.00 0.00 61.00 63.06 3f0p s PRO 49 Cb -0.09 -2.02 0.94 0.00 0.02 0.00 0.00 34.50 33.35 3f0p s PRO 49 CO 0.09 -0.97 1.76 0.00 -0.33 0.00 0.00 177.00 177.55 3f0p h ALA 50 N 1.16 1.94 -0.55 -1.55 0.00 -1.95 -1.64 119.26 116.67 3f0p h ALA 50 Ca -0.50 0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.50 3f0p h ALA 50 Cb 1.28 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.03 3f0p h ALA 50 CO 0.56 -0.35 0.37 0.93 0.00 0.00 0.00 179.25 180.76 3f0p h GLU 51 N 0.55 0.70 -0.07 0.00 3.07 -1.99 -1.18 114.58 115.67 3f0p h GLU 51 Ca 0.60 -0.04 -0.10 0.00 -0.50 0.00 0.00 59.36 59.32 3f0p h GLU 51 Cb 1.24 -0.16 0.00 0.00 -0.84 0.00 0.00 28.75 28.99 3f0p h GLU 51 CO -0.37 0.46 -0.33 -0.09 -1.40 0.00 0.00 179.01 177.28 3f0p h ARG 52 N 0.72 0.35 -0.62 2.33 2.43 -1.67 -1.49 114.38 116.42 3f0p h ARG 52 Ca 0.21 -0.28 0.07 0.00 -0.81 0.00 0.00 59.98 59.16 3f0p h ARG 52 Cb -0.05 0.06 -0.06 0.00 -0.42 0.00 0.00 29.97 29.50 3f0p h ARG 52 CO -0.05 0.92 0.32 0.28 -1.51 0.00 0.00 179.97 179.94 3f0p h VAL 53 N -0.15 0.92 -0.76 0.20 2.07 -1.43 -2.53 116.25 114.58 3f0p h VAL 53 Ca -0.02 -0.20 -0.01 0.00 0.82 0.00 0.00 66.70 67.29 3f0p h VAL 53 Cb 0.99 0.28 -0.04 0.00 -1.52 0.00 0.00 31.29 31.00 3f0p h VAL 53 CO 0.07 0.11 0.43 0.00 0.02 0.00 0.00 177.57 178.20 3f0p h ALA 54 N 1.35 0.97 -0.76 1.67 0.00 -1.15 -2.26 119.26 119.09 3f0p h ALA 54 Ca 0.29 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 55.04 3f0p h ALA 54 Cb 0.23 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 3f0p h ALA 54 CO -0.21 0.47 0.28 0.00 0.00 0.00 0.00 179.25 179.79 3f0p h ALA 55 N 1.22 0.98 -0.17 0.00 0.00 -0.87 -0.91 119.26 119.52 3f0p h ALA 55 Ca 0.27 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 3f0p h ALA 55 Cb 0.01 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.50 3f0p h ALA 55 CO -0.05 0.63 -0.11 0.28 0.00 0.00 0.00 179.25 180.00 3f0p h VAL 56 N 1.10 1.32 -0.01 0.00 2.07 -1.31 -3.19 116.25 116.24 3f0p h VAL 56 Ca 0.25 -1.20 -0.07 0.00 0.82 0.00 0.00 66.70 66.50 3f0p h VAL 56 Cb 0.24 1.74 -0.01 0.00 -1.52 0.00 0.00 31.29 31.74 3f0p h VAL 56 CO -0.02 0.36 -0.33 -0.07 0.02 0.00 0.00 177.57 177.53 3f0p h LEU 57 N 0.05 0.02 -1.54 2.57 3.38 -1.24 -2.62 115.31 115.93 3f0p h LEU 57 Ca 0.04 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.01 3f0p h LEU 57 Cb 0.61 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.33 3f0p h LEU 57 CO 0.03 0.35 0.31 -0.08 0.09 0.00 0.00 178.44 179.14 3f0p h GLU 58 N 0.01 0.62 0.00 1.13 4.81 -1.15 -1.40 114.58 118.60 3f0p h GLU 58 Ca -0.00 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 3f0p h GLU 58 Cb 0.60 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.84 3f0p h GLU 58 CO 0.04 0.41 -0.43 1.04 -0.73 0.00 0.00 179.01 179.35 3f0p n GLN 59 N -4.47 0.11 -2.59 1.92 1.13 -1.00 -4.36 117.38 108.13 3f0p n GLN 59 Ca 0.04 0.04 -0.43 0.00 -1.94 0.00 0.00 57.00 54.71 3f0p n GLN 59 Cb 0.06 -1.58 0.00 0.00 0.11 0.00 0.00 30.24 28.83 3f0p n GLN 59 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3f0p n ALA 60 N -1.62 4.79 0.36 -1.58 0.00 -0.53 -4.84 120.51 117.09 3f0p n ALA 60 Ca 0.05 -4.30 0.11 0.00 0.00 0.00 0.00 53.44 49.30 3f0p n ALA 60 Cb 0.38 -2.99 0.48 0.00 0.00 0.00 0.00 19.45 17.31 3f0p n ALA 60 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3f0p n THR 61 N 3.76 0.91 1.09 0.00 -2.24 -1.26 -1.95 114.28 114.58 3f0p n THR 61 Ca 0.38 0.31 0.13 0.00 -2.27 0.00 0.00 64.05 62.60 3f0p n THR 61 Cb 0.39 -1.24 0.39 0.00 -2.10 0.00 0.00 70.33 67.77 3f0p n THR 61 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3f0p n SER 62 N -2.15 0.46 -4.63 3.42 7.64 -1.26 -4.94 113.62 112.16 3f0p n SER 62 Ca 0.02 -0.23 -0.46 0.00 1.01 0.00 0.00 58.87 59.21 3f0p n SER 62 Cb 0.19 0.03 -0.03 0.00 -1.01 0.00 0.00 64.21 63.39 3f0p n SER 62 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 3f0p n THR 63 N -1.31 1.10 -3.92 0.44 -1.04 -0.82 -4.93 114.28 103.79 3f0p n THR 63 Ca 0.08 -0.27 -0.35 0.00 -2.04 0.00 0.00 64.05 61.46 3f0p n THR 63 Cb 0.33 -1.21 -0.08 0.00 -1.82 0.00 0.00 70.33 67.54 3f0p n THR 63 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 3f0p s GLU 64 N -0.60 3.83 0.24 -2.82 2.02 -0.23 -4.99 118.70 116.16 3f0p s GLU 64 Ca 0.68 -0.26 0.11 0.00 0.02 0.00 0.00 54.97 55.52 3f0p s GLU 64 Cb -0.72 -3.24 -0.05 0.00 0.10 0.00 0.00 34.13 30.23 3f0p s GLU 64 CO 0.52 0.44 -0.20 0.71 0.02 0.00 0.00 175.26 176.75 3f0p s TYR 65 N -0.07 2.17 0.31 1.61 2.02 -1.26 -0.60 117.35 121.52 3f0p s TYR 65 Ca 0.08 -0.38 0.05 0.00 -0.37 0.00 0.00 57.07 56.45 3f0p s TYR 65 Cb -0.12 -0.99 0.05 0.00 -0.40 0.00 0.00 41.96 40.51 3f0p s TYR 65 CO 0.00 0.59 0.41 -0.40 -1.57 0.00 0.00 175.55 174.58 3f0p n ASP 66 N -0.31 1.22 0.15 2.29 5.68 -0.40 -4.84 116.55 120.34 3f0p n ASP 66 Ca -0.08 -1.85 0.11 0.00 -0.50 0.00 0.00 54.79 52.47 3f0p n ASP 66 Cb 0.59 -0.21 0.54 0.00 -1.14 0.00 0.00 41.12 40.90 3f0p n ASP 66 CO 0.00 0.00 0.00 2.29 -1.33 0.00 0.00 177.20 178.16 3f0p n LYS 67 N -1.64 0.16 0.00 0.11 -0.00 -1.26 -0.81 118.16 114.72 3f0p n LYS 67 Ca 0.08 0.55 0.12 0.00 -0.00 0.00 0.00 58.31 59.06 3f0p n LYS 67 Cb 0.33 -1.92 0.17 0.00 -0.00 0.00 0.00 35.03 33.61 3f0p n LYS 67 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 3f0p n ASP 68 N -2.24 1.33 0.00 -5.58 8.00 -1.26 -4.95 116.55 111.85 3f0p n ASP 68 Ca -0.00 -1.06 0.00 0.00 0.71 0.00 0.00 54.79 54.44 3f0p n ASP 68 Cb 0.11 0.37 0.00 0.00 -0.02 0.00 0.00 41.12 41.58 3f0p n ASP 68 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3f0p n GLY 69 N 1.40 0.55 3.86 0.44 0.00 0.01 -5.06 105.19 106.40 3f0p n GLY 69 Ca 0.09 -0.18 -0.31 0.00 0.00 0.00 0.00 46.02 45.62 3f0p n GLY 69 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3f0p s ASN 70 N -2.17 6.61 -0.02 1.61 0.02 -1.26 -4.79 114.94 114.95 3f0p s ASN 70 Ca 0.00 1.32 -0.30 0.00 -1.02 0.00 0.00 52.86 52.86 3f0p s ASN 70 Cb 0.00 -2.40 -0.03 0.00 0.02 0.00 0.00 41.25 38.84 3f0p s ASN 70 CO 0.00 -0.42 1.03 -0.63 0.02 0.00 0.00 177.10 177.10 3f0p s ILE 71 N -2.38 4.70 0.00 0.60 1.01 0.47 -1.27 121.20 124.33 3f0p s ILE 71 Ca 0.55 1.94 0.00 0.00 0.00 0.00 0.00 60.65 63.14 3f0p s ILE 71 Cb -0.10 -4.25 0.00 0.00 0.01 0.00 0.00 42.46 38.12 3f0p s ILE 71 CO 0.28 0.10 0.02 2.30 0.00 0.00 0.00 174.94 177.65 3f0p n ILE 72 N 4.12 0.00 -3.69 2.92 -6.64 0.23 -0.83 119.36 115.48 3f0p n ILE 72 Ca 0.07 -0.48 -0.10 0.00 -1.77 0.00 0.00 62.75 60.48 3f0p n ILE 72 Cb 0.49 1.00 -0.11 0.00 -1.44 0.00 0.00 39.64 39.59 3f0p n ILE 72 CO 0.00 0.00 0.00 -0.83 -1.77 0.00 0.00 176.55 173.95 3f0p s GLY 73 N -0.91 -0.34 -0.50 3.28 0.00 -1.00 -1.24 107.32 106.61 3f0p s GLY 73 Ca 0.00 1.56 0.06 0.00 0.00 0.00 0.00 44.72 46.34 3f0p s GLY 73 CO 0.00 1.80 0.81 2.98 0.00 0.00 0.00 173.10 178.69 3f0p n TYR 74 N 4.40 -3.57 0.00 1.90 4.19 -1.26 -1.07 117.16 121.76 3f0p n TYR 74 Ca -0.21 -1.58 0.00 0.00 3.31 0.00 0.00 57.90 59.41 3f0p n TYR 74 Cb 0.55 1.52 0.00 0.00 0.49 0.00 0.00 39.34 41.89 3f0p n TYR 74 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 3f0p n GLY 75 N 2.26 1.46 3.81 2.98 0.00 -1.26 -4.83 105.19 109.62 3f0p n GLY 75 Ca 0.13 -0.03 -0.38 0.00 0.00 0.00 0.00 46.02 45.74 3f0p n GLY 75 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3f0p s LEU 76 N 0.00 4.51 0.05 0.99 2.96 -1.26 -0.91 118.68 125.01 3f0p s LEU 76 Ca 0.00 1.18 -0.11 0.00 -0.22 0.00 0.00 54.13 54.99 3f0p s LEU 76 Cb 0.00 -2.83 0.01 0.00 0.50 0.00 0.00 46.19 43.87 3f0p s LEU 76 CO 0.00 0.27 0.23 0.28 -1.32 0.00 0.00 176.35 175.81 3f0p s THR 77 N -1.01 0.10 -1.53 3.68 -1.32 0.69 -4.31 115.64 111.95 3f0p s THR 77 Ca 0.28 -0.86 0.25 0.00 -1.21 0.00 0.00 61.69 60.15 3f0p s THR 77 Cb -0.19 -0.97 0.14 0.00 -1.51 0.00 0.00 72.50 69.98 3f0p s THR 77 CO 0.18 -0.48 1.45 0.18 -2.21 0.00 0.00 174.62 173.74 3f0p n LEU 78 N 0.57 0.96 -4.64 9.08 4.77 -0.38 -0.93 117.00 126.43 3f0p n LEU 78 Ca -0.18 -0.24 -0.38 0.00 -0.03 0.00 0.00 56.01 55.18 3f0p n LEU 78 Cb 0.59 -0.14 -0.09 0.00 -2.33 0.00 0.00 43.42 41.45 3f0p n LEU 78 CO 0.22 0.19 -0.07 -0.60 -1.33 0.00 0.00 177.39 175.80 3f0p s ARG 79 N -2.67 4.07 0.07 3.23 3.52 -1.26 -4.92 118.95 120.99 3f0p s ARG 79 Ca 0.19 -0.11 -0.37 0.00 -0.13 0.00 0.00 55.73 55.31 3f0p s ARG 79 Cb 0.18 -3.58 -0.17 0.00 -1.56 0.00 0.00 34.95 29.83 3f0p s ARG 79 CO 0.59 -0.06 1.32 -1.91 -0.81 0.00 0.00 175.30 174.44 3f0p n GLU 80 N 4.63 1.04 -4.13 5.12 2.13 -1.26 -4.83 120.64 123.34 3f0p n GLU 80 Ca -0.12 0.38 -0.22 0.00 0.66 0.00 0.00 57.16 57.85 3f0p n GLU 80 Cb 0.52 -2.01 -0.06 0.00 0.27 0.00 0.00 31.44 30.15 3f0p n GLU 80 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 3f0p n THR 81 N 2.46 0.00 1.38 6.31 -2.24 -1.26 -5.03 114.28 115.89 3f0p n THR 81 Ca 0.19 -2.13 0.12 0.00 -2.27 0.00 0.00 64.05 59.95 3f0p n THR 81 Cb 0.18 0.80 0.68 0.00 -2.10 0.00 0.00 70.33 69.89 3f0p n THR 81 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3f0p n SER 82 N -1.61 0.00 -4.03 3.42 7.64 -1.26 -4.51 113.62 113.26 3f0p n SER 82 Ca -0.04 -0.52 -0.32 0.00 1.01 0.00 0.00 58.87 59.00 3f0p n SER 82 Cb 0.55 -0.09 -0.14 0.00 -1.01 0.00 0.00 64.21 63.51 3f0p n SER 82 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 3f0p s TYR 83 N -2.19 3.66 0.04 1.43 2.02 -1.26 -4.40 117.35 116.64 3f0p s TYR 83 Ca 0.32 -2.91 -0.29 0.00 -0.37 0.00 0.00 57.07 53.81 3f0p s TYR 83 Cb 0.16 -2.98 -0.04 0.00 -0.40 0.00 0.00 41.96 38.70 3f0p s TYR 83 CO 0.30 -0.93 0.94 0.08 -1.57 0.00 0.00 175.55 174.38 3f0p s VAL 84 N 0.77 4.74 -0.36 0.71 1.01 0.24 -1.29 120.40 126.22 3f0p s VAL 84 Ca 0.11 2.00 0.01 0.00 0.00 0.00 0.00 61.98 64.10 3f0p s VAL 84 Cb -0.21 -4.29 0.12 0.00 0.00 0.00 0.00 36.38 32.00 3f0p s VAL 84 CO -0.06 0.24 0.16 0.12 0.00 0.00 0.00 175.10 175.55 3f0p s PHE 85 N 0.56 1.85 -0.23 5.22 5.36 0.34 -1.24 117.98 129.84 3f0p s PHE 85 Ca 0.48 -2.06 -0.13 0.00 -0.96 0.00 0.00 56.93 54.27 3f0p s PHE 85 Cb -0.22 -1.79 -0.05 0.00 -0.34 0.00 0.00 43.02 40.62 3f0p s PHE 85 CO 0.28 -0.84 0.26 -1.21 -1.46 0.00 0.00 175.22 172.24 3f0p s GLU 86 N 1.05 4.10 -0.01 10.12 2.02 0.18 -1.70 118.70 134.46 3f0p s GLU 86 Ca 0.13 -0.09 -0.02 0.00 0.02 0.00 0.00 54.97 55.01 3f0p s GLU 86 Cb -0.21 -3.55 0.00 0.00 0.10 0.00 0.00 34.13 30.47 3f0p s GLU 86 CO -0.13 -0.01 0.05 0.96 0.02 0.00 0.00 175.26 176.15 3f0p s ILE 87 N 1.25 0.03 -1.31 -1.63 -4.36 -0.74 -1.23 121.20 113.21 3f0p s ILE 87 Ca 0.12 -0.24 -0.09 0.00 -0.26 0.00 0.00 60.65 60.18 3f0p s ILE 87 Cb -0.14 -0.16 0.07 0.00 1.25 0.00 0.00 42.46 43.48 3f0p s ILE 87 CO 0.06 -0.13 0.50 -0.67 0.24 0.00 0.00 174.94 174.94 3f0p n ASP 88 N 2.61 -3.91 -0.96 4.36 2.03 -1.26 -0.37 116.55 119.05 3f0p n ASP 88 Ca -0.15 -0.38 -0.12 0.00 0.52 0.00 0.00 54.79 54.65 3f0p n ASP 88 Cb 0.58 -3.23 -0.05 0.00 -0.72 0.00 0.00 41.12 37.70 3f0p n ASP 88 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 3f0p n ASP 89 N -2.31 -4.68 -4.49 1.67 8.00 -1.26 -5.01 116.55 108.47 3f0p n ASP 89 Ca -0.02 0.31 -0.33 0.00 0.71 0.00 0.00 54.79 55.45 3f0p n ASP 89 Cb 0.55 -3.28 -0.13 0.00 -0.02 0.00 0.00 41.12 38.24 3f0p n ASP 89 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 3f0p s ARG 90 N -3.00 2.89 -0.63 -1.24 0.52 0.50 -5.08 118.95 112.92 3f0p s ARG 90 Ca 0.00 -0.62 -0.21 0.00 -0.52 0.00 0.00 55.73 54.37 3f0p s ARG 90 Cb 0.00 -2.56 0.08 0.00 0.52 0.00 0.00 34.95 32.99 3f0p s ARG 90 CO 0.00 0.52 0.88 0.50 0.02 0.00 0.00 175.30 177.21 3f0p s ARG 91 N -0.42 3.10 0.39 3.54 3.52 -1.26 -1.79 118.95 126.02 3f0p s ARG 91 Ca 0.06 -0.95 0.04 0.00 -0.13 0.00 0.00 55.73 54.75 3f0p s ARG 91 Cb -0.12 -4.23 0.04 0.00 -1.56 0.00 0.00 34.95 29.08 3f0p s ARG 91 CO 0.02 -1.70 0.34 1.28 -0.81 0.00 0.00 175.30 174.42 3f0p n LEU 92 N 7.25 0.00 -4.10 -0.88 4.77 -0.69 -4.97 117.00 118.38 3f0p n LEU 92 Ca -0.05 -1.98 -0.08 0.00 -0.03 0.00 0.00 56.01 53.87 3f0p n LEU 92 Cb 0.45 -0.07 -0.10 0.00 -2.33 0.00 0.00 43.42 41.36 3f0p n LEU 92 CO 0.62 -0.52 -0.35 -0.31 -1.33 0.00 0.00 177.39 175.51 3f0p s TYR 93 N -1.86 0.59 0.16 -1.77 2.02 -0.11 -0.51 117.35 115.86 3f0p s TYR 93 Ca 0.25 -1.10 0.08 0.00 -0.37 0.00 0.00 57.07 55.93 3f0p s TYR 93 Cb -0.02 -0.41 -0.04 0.00 -0.40 0.00 0.00 41.96 41.09 3f0p s TYR 93 CO 0.16 -0.40 -0.17 0.00 -1.57 0.00 0.00 175.55 173.57 3f0p s ALA 94 N -3.94 1.90 0.12 3.71 0.00 -0.41 -0.22 121.76 122.92 3f0p s ALA 94 Ca 0.10 -1.45 0.17 0.00 0.00 0.00 0.00 51.96 50.78 3f0p s ALA 94 Cb 0.08 -0.16 0.52 0.00 0.00 0.00 0.00 23.12 23.57 3f0p s ALA 94 CO -0.08 0.20 1.66 -1.49 0.00 0.00 0.00 175.76 176.05 3f0p h TRP 95 N 3.29 0.00 -3.35 0.00 6.55 -1.36 -3.38 115.95 117.70 3f0p h TRP 95 Ca -0.42 0.00 -0.09 0.00 0.95 0.00 0.00 58.89 59.34 3f0p h TRP 95 Cb 1.20 0.00 -0.03 0.00 -0.86 0.00 0.00 29.16 29.48 3f0p h TRP 95 CO 0.67 0.44 0.12 0.00 -1.05 0.00 0.00 178.44 178.62 3f0p h ALA 97 N 2.04 0.49 -0.89 0.00 0.00 -1.67 -2.84 119.26 116.39 3f0p h ALA 97 Ca -0.30 -0.26 0.03 0.00 0.00 0.00 0.00 54.91 54.38 3f0p h ALA 97 Cb 1.25 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.86 3f0p h ALA 97 CO 0.38 0.28 0.58 1.25 0.00 0.00 0.00 179.25 181.74 3f0p h LEU 98 N 0.46 0.97 -1.07 0.00 5.85 -1.92 -2.18 115.31 117.42 3f0p h LEU 98 Ca 0.10 -0.01 0.13 0.00 0.84 0.00 0.00 57.88 58.94 3f0p h LEU 98 Cb 0.49 -0.23 -0.08 0.00 0.37 0.00 0.00 40.66 41.21 3f0p h LEU 98 CO 0.02 0.67 0.62 0.44 -0.34 0.00 0.00 178.44 179.85 3f0p h ASP 99 N 1.13 0.86 0.83 1.25 3.32 -1.90 -1.60 116.42 120.30 3f0p h ASP 99 Ca 0.35 0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.45 3f0p h ASP 99 Cb -0.01 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.42 3f0p h ASP 99 CO -0.10 0.45 0.00 0.71 -1.72 0.00 0.00 179.24 178.58 3f0p h THR 100 N 0.92 0.00 0.00 0.35 1.35 -1.38 -1.20 112.91 112.95 3f0p h THR 100 Ca 0.49 -0.42 -0.13 0.00 -0.55 0.00 0.00 66.41 65.81 3f0p h THR 100 Cb 0.56 1.41 -0.02 0.00 -1.73 0.00 0.00 68.15 68.37 3f0p h THR 100 CO -0.26 0.00 -1.23 -0.07 -0.25 0.00 0.00 175.52 173.71 3f0p h LEU 101 N 0.00 0.00 0.11 3.87 3.38 -1.33 -3.40 115.31 117.94 3f0p h LEU 101 Ca 0.00 0.00 -0.36 0.00 0.09 0.00 0.00 57.88 57.61 3f0p h LEU 101 Cb 0.42 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 3f0p h LEU 101 CO 0.00 0.44 -2.00 -0.38 0.09 0.00 0.00 178.44 176.59 3f0p n ILE 102 N -2.88 1.75 -0.33 1.22 5.41 -0.83 -4.55 119.36 119.14 3f0p n ILE 102 Ca -0.07 -0.62 -0.02 0.00 1.00 0.00 0.00 62.75 63.04 3f0p n ILE 102 Cb 0.77 -1.73 0.12 0.00 -0.71 0.00 0.00 39.64 38.09 3f0p n ILE 102 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 176.55 176.29 3f0p h PHE 103 N 0.01 1.21 -0.81 1.39 0.04 -1.45 -3.11 116.94 114.21 3f0p h PHE 103 Ca -0.44 0.00 0.12 0.00 2.80 0.00 0.00 57.97 60.46 3f0p h PHE 103 Cb 1.99 -0.40 -0.08 0.00 2.20 0.00 0.00 35.95 39.66 3f0p h PHE 103 CO 0.07 0.80 0.43 -1.35 -0.60 0.00 0.00 178.31 177.66 3f0p h PRO 104 N 1.27 0.65 -0.78 1.51 0.11 -1.79 -0.20 132.00 132.76 3f0p h PRO 104 Ca 0.33 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 66.35 3f0p h PRO 104 Cb -0.06 -0.15 -0.03 0.00 0.11 0.00 0.00 31.00 30.86 3f0p h PRO 104 CO -0.06 0.43 0.30 0.00 -0.21 0.00 0.00 178.00 178.45 3f0p h ALA 105 N 1.50 1.02 -0.27 -0.75 0.00 -1.75 0.14 119.26 119.15 3f0p h ALA 105 Ca 0.42 -0.20 -0.16 0.00 0.00 0.00 0.00 54.91 54.97 3f0p h ALA 105 Cb 0.50 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3f0p h ALA 105 CO -0.31 0.66 -0.47 -0.07 0.00 0.00 0.00 179.25 179.07 3f0p h LEU 106 N 1.15 0.79 -0.61 0.00 3.38 -1.29 -3.14 115.31 115.58 3f0p h LEU 106 Ca 0.26 -0.39 0.00 0.00 0.09 0.00 0.00 57.88 57.84 3f0p h LEU 106 Cb 0.24 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.77 3f0p h LEU 106 CO -0.02 1.13 -0.40 2.30 0.09 0.00 0.00 178.44 181.54 3f0p n ILE 107 N -4.01 0.00 -2.98 1.22 -5.35 -0.20 -4.90 119.36 103.14 3f0p n ILE 107 Ca -0.03 -0.16 -0.17 0.00 -0.27 0.00 0.00 62.75 62.13 3f0p n ILE 107 Cb 0.57 0.74 0.04 0.00 -1.74 0.00 0.00 39.64 39.25 3f0p n ILE 107 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3f0p n GLY 108 N 1.39 -0.17 3.13 3.28 0.00 0.45 -5.00 105.19 108.26 3f0p n GLY 108 Ca 0.10 -0.08 -0.11 0.00 0.00 0.00 0.00 46.02 45.94 3f0p n GLY 108 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3f0p s ARG 109 N -5.58 0.72 0.02 1.61 1.81 -0.95 -4.96 118.95 111.62 3f0p s ARG 109 Ca 0.29 -1.16 -0.19 0.00 -1.72 0.00 0.00 55.73 52.95 3f0p s ARG 109 Cb -0.13 -0.17 -0.06 0.00 -0.45 0.00 0.00 34.95 34.15 3f0p s ARG 109 CO 0.36 -0.01 0.56 0.99 -0.68 0.00 0.00 175.30 176.52 3f0p s THR 110 N -3.04 4.88 0.03 0.02 2.01 -1.26 -4.03 115.64 114.24 3f0p s THR 110 Ca 0.05 1.18 0.09 0.00 0.31 0.00 0.00 61.69 63.32 3f0p s THR 110 Cb 0.01 -3.89 -0.03 0.00 0.01 0.00 0.00 72.50 68.60 3f0p s THR 110 CO -0.04 0.47 -0.25 0.00 -0.69 0.00 0.00 174.62 174.11 3f0p s ALA 111 N -0.53 2.16 -0.30 7.40 0.00 0.40 -4.66 121.76 126.24 3f0p s ALA 111 Ca 0.29 -1.21 -0.13 0.00 0.00 0.00 0.00 51.96 50.92 3f0p s ALA 111 Cb -0.18 -0.47 -0.04 0.00 0.00 0.00 0.00 23.12 22.43 3f0p s ALA 111 CO 0.17 0.51 0.27 0.50 0.00 0.00 0.00 175.76 177.21 3f0p s ARG 112 N -1.10 3.83 -0.10 0.00 6.06 -0.36 -0.80 118.95 126.47 3f0p s ARG 112 Ca 0.11 -0.30 -0.01 0.00 -2.50 0.00 0.00 55.73 53.02 3f0p s ARG 112 Cb -0.10 -3.71 -0.03 0.00 0.06 0.00 0.00 34.95 31.18 3f0p s ARG 112 CO 0.01 -0.30 -0.06 0.08 -2.50 0.00 0.00 175.30 172.53 3f0p s VAL 113 N 1.87 3.73 -0.01 7.11 1.01 0.35 -0.65 120.40 133.81 3f0p s VAL 113 Ca 0.09 -0.45 0.02 0.00 0.00 0.00 0.00 61.98 61.65 3f0p s VAL 113 Cb -0.16 -2.57 -0.00 0.00 0.00 0.00 0.00 36.38 33.65 3f0p s VAL 113 CO 0.11 0.56 -0.07 -0.44 0.00 0.00 0.00 175.10 175.26 3f0p s SER 114 N -0.30 0.82 0.00 3.32 0.01 -0.37 -1.40 113.70 115.76 3f0p s SER 114 Ca 0.04 -0.13 0.00 0.00 1.31 0.00 0.00 55.95 57.18 3f0p s SER 114 Cb -0.13 -0.10 0.00 0.00 0.21 0.00 0.00 66.02 66.01 3f0p s SER 114 CO 0.02 0.08 0.00 -0.24 0.41 0.00 0.00 173.24 173.52 3f0p n SER 115 N 2.93 0.00 -4.11 2.44 2.88 -0.68 -0.59 113.62 116.49 3f0p n SER 115 Ca -0.13 -0.33 -0.18 0.00 -1.33 0.00 0.00 58.87 56.91 3f0p n SER 115 Cb 0.57 0.00 -0.13 0.00 -0.75 0.00 0.00 64.21 63.91 3f0p n SER 115 CO 0.00 0.00 0.00 -1.00 -1.23 0.00 0.00 175.04 172.81 3f0p s HIS 116 N -4.81 1.00 0.17 0.66 3.76 -1.26 -1.13 115.29 113.68 3f0p s HIS 116 Ca 0.00 -0.37 -0.32 0.00 -0.15 0.00 0.00 55.06 54.22 3f0p s HIS 116 Cb 0.00 -0.59 -0.11 0.00 1.11 0.00 0.00 32.58 32.99 3f0p s HIS 116 CO 0.00 0.00 1.75 0.00 -0.85 0.00 0.00 174.74 175.65 3f0p h ALA 118 N 7.57 1.00 0.01 0.00 0.00 -1.53 0.07 119.26 126.38 3f0p h ALA 118 Ca -0.44 0.00 -0.38 0.00 0.00 0.00 0.00 54.91 54.09 3f0p h ALA 118 Cb 1.21 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.93 3f0p h ALA 118 CO 0.95 0.00 -2.40 0.00 0.00 0.00 0.00 179.25 177.80 3f0p n ALA 119 N -1.87 1.41 0.17 0.00 0.00 -1.26 -4.71 120.51 114.25 3f0p n ALA 119 Ca 0.02 -1.11 0.02 0.00 0.00 0.00 0.00 53.44 52.36 3f0p n ALA 119 Cb 0.26 -0.19 -0.03 0.00 0.00 0.00 0.00 19.45 19.49 3f0p n ALA 119 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3f0p n THR 120 N -3.15 0.00 -0.86 0.00 -2.24 -1.22 -5.00 114.28 101.82 3f0p n THR 120 Ca -0.41 -0.35 0.00 0.00 -2.27 0.00 0.00 64.05 61.03 3f0p n THR 120 Cb 1.04 0.89 0.00 0.00 -2.10 0.00 0.00 70.33 70.16 3f0p n THR 120 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3f0p n GLY 121 N 1.30 1.21 3.77 3.38 0.00 0.01 -4.97 105.19 109.89 3f0p n GLY 121 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 3f0p n GLY 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3f0p s ALA 122 N -3.82 3.55 0.35 4.61 0.00 -1.26 -4.45 121.76 120.73 3f0p s ALA 122 Ca 0.00 1.41 -0.29 0.00 0.00 0.00 0.00 51.96 53.09 3f0p s ALA 122 Cb 0.00 -3.55 -0.11 0.00 0.00 0.00 0.00 23.12 19.47 3f0p s ALA 122 CO 0.00 -0.84 1.47 -1.25 0.00 0.00 0.00 175.76 175.14 3f0p s PRO 123 N -1.80 4.16 0.12 0.00 0.04 -1.26 -0.10 135.00 136.16 3f0p s PRO 123 Ca 0.52 2.50 0.07 0.00 0.04 0.00 0.00 61.00 64.12 3f0p s PRO 123 Cb -0.43 -3.00 -0.04 0.00 0.04 0.00 0.00 34.50 31.07 3f0p s PRO 123 CO 0.57 -0.49 -0.16 0.14 0.04 0.00 0.00 177.00 177.10 3f0p s VAL 124 N -0.87 1.47 0.05 -0.36 -7.23 -0.28 -4.71 120.40 108.47 3f0p s VAL 124 Ca 0.54 -1.65 -0.21 0.00 -1.81 0.00 0.00 61.98 58.85 3f0p s VAL 124 Cb -0.45 -1.52 0.05 0.00 0.56 0.00 0.00 36.38 35.01 3f0p s VAL 124 CO 0.58 -0.29 0.49 -0.94 -0.31 0.00 0.00 175.10 174.63 3f0p s SER 125 N -2.26 -0.39 0.21 4.85 1.04 -0.19 -1.68 113.70 115.28 3f0p s SER 125 Ca 0.08 0.10 -0.19 0.00 0.48 0.00 0.00 55.95 56.43 3f0p s SER 125 Cb -0.07 0.47 0.03 0.00 0.10 0.00 0.00 66.02 66.55 3f0p s SER 125 CO 0.04 -0.71 0.57 -1.48 0.98 0.00 0.00 173.24 172.63 3f0p s LEU 126 N -2.03 -0.06 -0.13 2.42 2.34 -0.50 -0.57 118.68 120.16 3f0p s LEU 126 Ca -0.05 -0.47 0.01 0.00 0.06 0.00 0.00 54.13 53.68 3f0p s LEU 126 Cb -0.01 2.29 -0.01 0.00 -0.56 0.00 0.00 46.19 47.91 3f0p s LEU 126 CO -0.02 -1.11 -0.17 -0.89 -1.06 0.00 0.00 176.35 173.10 3f0p s THR 127 N -3.88 2.62 -0.19 5.48 2.01 -0.58 -0.49 115.64 120.60 3f0p s THR 127 Ca 0.09 -0.81 0.01 0.00 0.31 0.00 0.00 61.69 61.29 3f0p s THR 127 Cb -0.02 -2.08 0.04 0.00 0.01 0.00 0.00 72.50 70.45 3f0p s THR 127 CO -0.01 0.53 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.65 3f0p s VAL 128 N 0.54 1.61 0.54 3.82 1.01 0.02 0.04 120.40 127.97 3f0p s VAL 128 Ca -0.11 -0.96 0.04 0.00 0.00 0.00 0.00 61.98 60.95 3f0p s VAL 128 Cb -0.16 -1.68 0.05 0.00 0.00 0.00 0.00 36.38 34.59 3f0p s VAL 128 CO 0.04 0.19 0.75 -0.94 0.00 0.00 0.00 175.10 175.14 3f0p s SER 129 N 1.42 5.21 0.63 3.32 1.04 -0.20 -0.45 113.70 124.66 3f0p s SER 129 Ca -0.01 -0.30 0.31 0.00 0.48 0.00 0.00 55.95 56.44 3f0p s SER 129 Cb -0.16 -0.52 1.71 0.00 0.10 0.00 0.00 66.02 67.15 3f0p s SER 129 CO -0.08 -1.18 2.03 -0.65 0.98 0.00 0.00 173.24 174.34 3f0p h PRO 130 N 0.15 0.00 0.00 4.02 0.11 -1.77 -3.24 132.00 131.27 3f0p h PRO 130 Ca -0.39 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 65.56 3f0p h PRO 130 Cb 1.29 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.37 3f0p h PRO 130 CO 0.47 0.00 -1.69 -1.13 -0.21 0.00 0.00 178.00 175.44 3f0p n SER 131 N -3.36 2.41 -3.77 -2.05 3.41 -1.26 -4.41 113.62 104.60 3f0p n SER 131 Ca 0.01 0.00 -0.07 0.00 -0.26 0.00 0.00 58.87 58.55 3f0p n SER 131 Cb 0.38 0.87 -0.02 0.00 -0.26 0.00 0.00 64.21 65.18 3f0p n SER 131 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 3f0p s GLU 132 N -2.33 1.54 -0.08 4.33 2.56 -1.22 -5.12 118.70 118.37 3f0p s GLU 132 Ca -0.05 -0.82 -0.28 0.00 0.00 0.00 0.00 54.97 53.82 3f0p s GLU 132 Cb 0.04 0.55 -0.02 0.00 2.00 0.00 0.00 34.13 36.70 3f0p s GLU 132 CO 0.44 -0.70 0.93 0.42 -0.56 0.00 0.00 175.26 175.78 3f0p s ILE 133 N -3.71 4.86 -0.07 -3.70 1.01 -1.26 -1.03 121.20 117.30 3f0p s ILE 133 Ca 0.10 1.89 0.20 0.00 0.00 0.00 0.00 60.65 62.84 3f0p s ILE 133 Cb -0.04 -4.25 -0.30 0.00 0.01 0.00 0.00 42.46 37.88 3f0p s ILE 133 CO 0.03 0.08 0.36 0.00 0.00 0.00 0.00 174.94 175.41 3f0p n GLN 134 N 4.60 0.68 -3.73 2.79 6.02 0.11 -4.95 117.38 122.90 3f0p n GLN 134 Ca 0.06 -0.15 -0.14 0.00 -0.01 0.00 0.00 57.00 56.77 3f0p n GLN 134 Cb 0.50 -1.49 -0.09 0.00 1.02 0.00 0.00 30.24 30.18 3f0p n GLN 134 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3f0p s ALA 135 N -3.20 -0.96 -0.16 -1.58 0.00 -1.21 -4.92 121.76 109.72 3f0p s ALA 135 Ca -0.08 0.73 -0.04 0.00 0.00 0.00 0.00 51.96 52.57 3f0p s ALA 135 Cb 0.11 -0.21 0.08 0.00 0.00 0.00 0.00 23.12 23.10 3f0p s ALA 135 CO 0.84 -0.24 0.23 0.08 0.00 0.00 0.00 175.76 176.66 3f0p s VAL 136 N -0.73 -0.35 -0.19 0.00 1.01 -1.26 -1.53 120.40 117.35 3f0p s VAL 136 Ca -0.08 0.08 -0.01 0.00 0.00 0.00 0.00 61.98 61.98 3f0p s VAL 136 Cb -0.04 -0.55 0.05 0.00 0.00 0.00 0.00 36.38 35.84 3f0p s VAL 136 CO 0.03 -0.05 -0.03 -0.70 0.00 0.00 0.00 175.10 174.36 3f0p s GLU 137 N 2.36 1.30 0.66 2.72 2.12 0.26 -2.89 118.70 125.23 3f0p s GLU 137 Ca 0.05 -0.60 -0.11 0.00 0.36 0.00 0.00 54.97 54.67 3f0p s GLU 137 Cb -0.14 -2.15 -0.02 0.00 0.26 0.00 0.00 34.13 32.08 3f0p s GLU 137 CO -0.10 -0.51 1.05 -2.14 -0.54 0.00 0.00 175.26 173.01 3f0p s PRO 138 N 1.63 3.26 0.48 4.30 0.02 -1.26 -1.02 135.00 142.40 3f0p s PRO 138 Ca -0.01 0.81 0.14 0.00 0.02 0.00 0.00 61.00 61.97 3f0p s PRO 138 Cb -0.16 -2.04 1.14 0.00 0.02 0.00 0.00 34.50 33.46 3f0p s PRO 138 CO -0.07 -0.83 2.08 0.00 -0.33 0.00 0.00 177.00 177.84 3f0p h ALA 139 N -0.52 1.99 -0.10 -1.55 0.00 -1.86 -2.45 119.26 114.77 3f0p h ALA 139 Ca -0.44 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.46 3f0p h ALA 139 Cb 1.20 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.94 3f0p h ALA 139 CO 0.60 -0.03 0.00 0.41 0.00 0.00 0.00 179.25 180.23 3f0p n GLY 140 N -1.53 -0.54 3.54 0.00 0.00 -1.26 -4.96 105.19 100.44 3f0p n GLY 140 Ca 0.02 -0.11 -0.48 0.00 0.00 0.00 0.00 46.02 45.46 3f0p n GLY 140 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 3f0p n MET 141 N -0.21 0.89 -4.54 1.61 1.56 -0.92 -3.53 117.12 111.97 3f0p n MET 141 Ca 0.03 0.31 -0.25 0.00 -0.27 0.00 0.00 57.70 57.53 3f0p n MET 141 Cb 0.08 -1.64 -0.11 0.00 2.15 0.00 0.00 33.22 33.70 3f0p n MET 141 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 3f0p s ALA 142 N -0.70 2.80 -0.00 -5.12 0.00 -0.03 -1.33 121.76 117.37 3f0p s ALA 142 Ca 0.66 -2.19 0.01 0.00 0.00 0.00 0.00 51.96 50.44 3f0p s ALA 142 Cb -0.84 0.38 0.00 0.00 0.00 0.00 0.00 23.12 22.67 3f0p s ALA 142 CO 0.56 -0.20 -0.01 0.08 0.00 0.00 0.00 175.76 176.19 3f0p s VAL 143 N -2.97 0.13 0.06 0.00 1.01 0.34 -0.94 120.40 118.03 3f0p s VAL 143 Ca 0.36 -0.05 -0.12 0.00 0.00 0.00 0.00 61.98 62.16 3f0p s VAL 143 Cb 0.09 -0.14 -0.06 0.00 0.00 0.00 0.00 36.38 36.28 3f0p s VAL 143 CO 0.17 0.05 0.43 -0.94 0.00 0.00 0.00 175.10 174.80 3f0p s SER 144 N 0.10 6.73 0.13 3.32 1.04 -0.78 -1.41 113.70 122.83 3f0p s SER 144 Ca -0.01 0.90 0.07 0.00 0.48 0.00 0.00 55.95 57.39 3f0p s SER 144 Cb -0.02 -2.22 -0.04 0.00 0.10 0.00 0.00 66.02 63.84 3f0p s SER 144 CO -0.00 0.22 -0.16 -0.76 0.98 0.00 0.00 173.24 173.52 3f0p s LEU 145 N -1.62 2.39 0.20 2.42 1.43 0.27 -3.90 118.68 119.88 3f0p s LEU 145 Ca 0.30 -0.80 0.00 0.00 -1.03 0.00 0.00 54.13 52.61 3f0p s LEU 145 Cb -0.15 -0.65 -0.04 0.00 0.03 0.00 0.00 46.19 45.37 3f0p s LEU 145 CO 0.17 -0.09 0.08 0.68 0.23 0.00 0.00 176.35 177.41 3f0p s VAL 146 N -1.96 0.34 -0.27 -1.59 -7.23 -1.26 -0.88 120.40 107.55 3f0p s VAL 146 Ca 0.10 -1.98 -0.15 0.00 -1.81 0.00 0.00 61.98 58.13 3f0p s VAL 146 Cb -0.06 -2.39 -0.03 0.00 0.56 0.00 0.00 36.38 34.45 3f0p s VAL 146 CO 0.04 -0.17 0.40 -0.76 -0.31 0.00 0.00 175.10 174.30 3f0p s LEU 147 N -3.20 4.05 0.00 1.32 1.43 -0.16 -4.95 118.68 117.17 3f0p s LEU 147 Ca 0.33 0.32 0.00 0.00 -1.03 0.00 0.00 54.13 53.75 3f0p s LEU 147 Cb 0.07 -2.47 0.00 0.00 0.03 0.00 0.00 46.19 43.82 3f0p s LEU 147 CO 0.09 -0.21 0.00 -2.65 0.23 0.00 0.00 176.35 173.81 3f0p n PRO 148 N 5.38 -0.76 0.00 1.29 -0.02 -1.26 -4.74 135.00 134.89 3f0p n PRO 148 Ca -0.08 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.40 3f0p n PRO 148 Cb 0.50 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.98 3f0p n PRO 148 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3f0p n ALA 152 N -2.92 0.00 -3.99 3.55 0.00 -1.26 -5.04 120.51 110.85 3f0p n ALA 152 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.11 3f0p n ALA 152 Cb 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.30 3f0p n ALA 152 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3f0p s ASP 153 N -4.00 4.53 0.38 0.00 2.15 -1.26 -4.93 116.67 113.54 3f0p s ASP 153 Ca 0.00 -1.38 0.11 0.00 0.43 0.00 0.00 52.55 51.71 3f0p s ASP 153 Cb 0.00 -1.58 0.88 0.00 -0.30 0.00 0.00 42.92 41.92 3f0p s ASP 153 CO 0.00 -0.20 1.90 1.62 -0.17 0.00 0.00 175.17 178.32 3f0p h VAL 154 N 6.72 0.85 -0.33 1.11 3.04 -1.98 -1.36 116.25 124.30 3f0p h VAL 154 Ca -0.19 -0.21 -0.17 0.00 -1.01 0.00 0.00 66.70 65.12 3f0p h VAL 154 Cb 1.04 0.19 -0.00 0.00 -2.01 0.00 0.00 31.29 30.51 3f0p h VAL 154 CO 0.47 0.11 -0.46 -0.09 -1.01 0.00 0.00 177.57 176.59 3f0p h ARG 155 N 0.61 0.89 0.00 4.17 2.43 -1.95 -0.26 114.38 120.26 3f0p h ARG 155 Ca 0.40 -0.52 -0.04 0.00 -0.81 0.00 0.00 59.98 59.01 3f0p h ARG 155 Cb 0.69 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.27 3f0p h ARG 155 CO -0.16 1.16 -0.19 0.37 -1.51 0.00 0.00 179.97 179.65 3f0p h GLN 156 N 0.69 0.00 0.00 0.20 5.75 -1.71 -2.06 115.11 117.98 3f0p h GLN 156 Ca 0.03 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.53 3f0p h GLN 156 Cb 1.06 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.61 3f0p h GLN 156 CO 0.11 0.17 -1.58 -1.13 -2.65 0.00 0.00 178.83 173.75 3f0p n SER 157 N -3.14 1.71 0.02 -0.69 3.41 -0.64 -4.71 113.62 109.58 3f0p n SER 157 Ca 0.03 -0.05 0.00 0.00 -0.26 0.00 0.00 58.87 58.59 3f0p n SER 157 Cb 0.60 1.60 0.00 0.00 -0.26 0.00 0.00 64.21 66.15 3f0p n SER 157 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 3f0p n PHE 158 N -1.95 -0.03 -0.32 7.33 7.35 -0.14 -4.60 117.46 125.11 3f0p n PHE 158 Ca -0.02 0.00 0.09 0.00 -0.76 0.00 0.00 57.45 56.76 3f0p n PHE 158 Cb 0.36 0.01 0.25 0.00 0.35 0.00 0.00 39.48 40.45 3f0p n PHE 158 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3f0p n HIS 161 N -1.35 0.10 -3.66 0.00 8.25 -0.13 -4.92 115.22 113.51 3f0p n HIS 161 Ca 0.06 -0.19 -0.39 0.00 -0.26 0.00 0.00 57.72 56.94 3f0p n HIS 161 Cb 0.12 -0.01 -0.10 0.00 1.12 0.00 0.00 29.99 31.12 3f0p n HIS 161 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3f0p s VAL 162 N -0.72 3.81 0.37 1.59 1.01 -0.97 -4.55 120.40 120.95 3f0p s VAL 162 Ca 0.10 -2.08 0.07 0.00 0.00 0.00 0.00 61.98 60.06 3f0p s VAL 162 Cb 0.06 -3.54 -0.07 0.00 0.00 0.00 0.00 36.38 32.83 3f0p s VAL 162 CO 0.09 -0.77 -0.00 -1.00 0.00 0.00 0.00 175.10 173.42 3f0p s HIS 163 N 1.03 2.36 0.21 5.22 3.76 -1.25 -1.87 115.29 124.75 3f0p s HIS 163 Ca 0.09 -0.69 -0.07 0.00 -0.15 0.00 0.00 55.06 54.23 3f0p s HIS 163 Cb -0.23 -1.57 -0.06 0.00 1.11 0.00 0.00 32.58 31.82 3f0p s HIS 163 CO -0.03 0.38 0.49 -0.06 -0.85 0.00 0.00 174.74 174.67 3f0p s PHE 164 N -2.82 3.45 0.05 1.40 0.08 -1.26 -1.87 117.98 117.01 3f0p s PHE 164 Ca 0.34 0.72 0.01 0.00 0.12 0.00 0.00 56.93 58.13 3f0p s PHE 164 Cb 0.08 -2.14 -0.03 0.00 -0.57 0.00 0.00 43.02 40.36 3f0p s PHE 164 CO 0.17 0.32 -0.06 -0.06 -0.10 0.00 0.00 175.22 175.49 3f0p s PHE 165 N -1.80 0.60 0.44 0.36 0.08 -0.12 -1.27 117.98 116.27 3f0p s PHE 165 Ca 0.45 -0.66 0.24 0.00 0.12 0.00 0.00 56.93 57.08 3f0p s PHE 165 Cb -0.11 -0.38 1.37 0.00 -0.57 0.00 0.00 43.02 43.33 3f0p s PHE 165 CO 0.24 -0.16 2.07 0.00 -0.10 0.00 0.00 175.22 177.26 3f0p h ALA 166 N 4.05 1.40 -2.66 5.36 0.00 -1.90 -0.05 119.26 125.46 3f0p h ALA 166 Ca -0.35 -0.12 0.08 0.00 0.00 0.00 0.00 54.91 54.53 3f0p h ALA 166 Cb 1.19 -0.02 -0.10 0.00 0.00 0.00 0.00 17.79 18.86 3f0p h ALA 166 CO 0.49 0.16 0.35 -1.54 0.00 0.00 0.00 179.25 178.71 3f0p s SER 167 N -6.36 -0.35 0.10 0.00 1.04 -1.25 -3.32 113.70 103.56 3f0p s SER 167 Ca -0.03 -0.25 -0.21 0.00 0.48 0.00 0.00 55.95 55.94 3f0p s SER 167 Cb 0.14 0.55 -0.10 0.00 0.10 0.00 0.00 66.02 66.71 3f0p s SER 167 CO 0.61 -0.96 1.69 0.58 0.98 0.00 0.00 173.24 176.14 3f0p h VAL 168 N 2.00 1.10 -0.89 5.02 2.07 -1.87 -1.73 116.25 121.95 3f0p h VAL 168 Ca -0.25 -0.27 0.02 0.00 0.82 0.00 0.00 66.70 67.03 3f0p h VAL 168 Cb 1.26 1.00 -0.05 0.00 -1.52 0.00 0.00 31.29 31.98 3f0p h VAL 168 CO 0.30 0.09 0.58 -0.65 0.02 0.00 0.00 177.57 177.91 3f0p h PRO 169 N 0.14 1.13 -0.66 1.57 0.11 -1.97 0.14 132.00 132.47 3f0p h PRO 169 Ca 0.05 -0.07 -0.06 0.00 0.11 0.00 0.00 66.00 66.03 3f0p h PRO 169 Cb 0.07 -0.26 -0.03 0.00 0.11 0.00 0.00 31.00 30.90 3f0p h PRO 169 CO -0.01 0.75 0.17 0.00 -0.21 0.00 0.00 178.00 178.70 3f0p h THR 170 N 1.16 1.26 -0.38 -1.15 1.03 -1.94 -0.91 112.91 111.99 3f0p h THR 170 Ca 0.34 -0.94 -0.06 0.00 -0.01 0.00 0.00 66.41 65.75 3f0p h THR 170 Cb -0.07 0.60 -0.02 0.00 -1.07 0.00 0.00 68.15 67.59 3f0p h THR 170 CO -0.09 0.36 0.00 0.00 -0.01 0.00 0.00 175.52 175.78 3f0p h ALA 171 N 1.07 1.29 -0.36 0.00 0.00 -0.76 -1.36 119.26 119.14 3f0p h ALA 171 Ca 0.21 -0.22 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 3f0p h ALA 171 Cb 0.36 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3f0p h ALA 171 CO 0.00 0.48 -0.06 1.49 0.00 0.00 0.00 179.25 181.16 3f0p h GLU 172 N 0.57 0.68 -0.24 0.00 4.57 -0.14 0.94 114.58 120.96 3f0p h GLU 172 Ca 0.12 -0.25 0.02 0.00 -1.18 0.00 0.00 59.36 58.07 3f0p h GLU 172 Cb 0.36 -0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 28.88 3f0p h GLU 172 CO 0.01 0.82 0.09 -0.44 -1.18 0.00 0.00 179.01 178.32 3f0p h ASP 173 N 0.48 0.12 -0.53 1.04 5.19 -1.00 -2.17 116.42 119.55 3f0p h ASP 173 Ca 0.10 0.02 0.07 0.00 -0.62 0.00 0.00 57.03 56.59 3f0p h ASP 173 Cb 0.56 0.00 -0.06 0.00 0.18 0.00 0.00 39.33 40.01 3f0p h ASP 173 CO 0.03 0.10 0.21 -0.25 -3.12 0.00 0.00 179.24 176.22 3f0p h TRP 174 N 0.21 0.38 -0.12 4.55 7.01 -1.07 -2.71 115.95 124.20 3f0p h TRP 174 Ca 0.10 0.03 -0.03 0.00 2.11 0.00 0.00 58.89 61.10 3f0p h TRP 174 Cb 0.06 -0.09 -0.01 0.00 -2.10 0.00 0.00 29.16 27.02 3f0p h TRP 174 CO -0.11 0.13 -0.06 0.00 -2.79 0.00 0.00 178.44 175.61 3f0p h ALA 175 N 1.34 1.68 0.00 2.65 0.00 -0.45 -1.77 119.26 122.71 3f0p h ALA 175 Ca 0.26 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3f0p h ALA 175 Cb 0.26 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3f0p h ALA 175 CO -0.24 0.24 0.00 0.66 0.00 0.00 0.00 179.25 179.91 3f0p h SER 176 N 0.17 0.00 -0.46 0.00 4.64 -1.06 -1.02 113.55 115.83 3f0p h SER 176 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 3f0p h SER 176 Cb 0.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.31 3f0p h SER 176 CO 0.01 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.26 3f0p n LYS 177 N -2.41 3.63 -3.06 4.77 4.76 -0.67 -4.57 118.16 120.61 3f0p n LYS 177 Ca -0.01 -2.83 -0.23 0.00 -2.87 0.00 0.00 58.31 52.37 3f0p n LYS 177 Cb 0.11 -1.88 -0.04 0.00 -1.84 0.00 0.00 35.03 31.38 3f0p n LYS 177 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 3f0p n HIS 178 N 0.39 2.39 0.50 2.13 8.25 -0.38 -4.90 115.22 123.59 3f0p n HIS 178 Ca 0.23 -3.92 0.10 0.00 -0.26 0.00 0.00 57.72 53.87 3f0p n HIS 178 Cb 0.90 -0.46 0.41 0.00 1.12 0.00 0.00 29.99 31.96 3f0p n HIS 178 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 3f0p n GLN 179 N 0.02 0.10 0.05 -0.41 1.13 -1.26 -3.01 117.38 114.00 3f0p n GLN 179 Ca 0.28 0.30 -0.06 0.00 -1.94 0.00 0.00 57.00 55.58 3f0p n GLN 179 Cb 0.50 -1.67 0.11 0.00 0.11 0.00 0.00 30.24 29.29 3f0p n GLN 179 CO 0.00 0.00 0.00 0.78 -1.44 0.00 0.00 177.06 176.40 3f0p h GLY 180 N 2.72 0.39 -4.24 1.08 0.00 -1.95 -3.46 103.07 97.62 3f0p h GLY 180 Ca 0.00 -0.46 -0.52 0.00 0.00 0.00 0.00 47.33 46.35 3f0p h GLY 180 CO 0.00 0.41 0.59 1.08 0.00 0.00 0.00 176.54 178.62 3f0p s LEU 181 N -8.13 4.43 -0.10 3.11 1.43 -1.16 -5.01 118.68 113.25 3f0p s LEU 181 Ca -0.05 2.24 -0.24 0.00 -1.03 0.00 0.00 54.13 55.05 3f0p s LEU 181 Cb 0.12 -3.60 -0.03 0.00 0.03 0.00 0.00 46.19 42.71 3f0p s LEU 181 CO 0.81 -0.43 0.74 -1.61 0.23 0.00 0.00 176.35 176.09 3f0p s GLU 182 N 0.02 4.38 -1.17 1.70 0.41 -1.26 -3.87 118.70 118.91 3f0p s GLU 182 Ca 0.55 0.90 0.00 0.00 -0.41 0.00 0.00 54.97 56.01 3f0p s GLU 182 Cb -0.33 -3.49 0.00 0.00 -1.78 0.00 0.00 34.13 28.52 3f0p s GLU 182 CO 0.36 -0.07 0.00 0.41 -0.49 0.00 0.00 175.26 175.47 3f0p n GLY 183 N 3.27 0.90 3.70 -1.39 0.00 -1.26 -0.99 105.19 109.41 3f0p n GLY 183 Ca 0.00 -0.47 -0.42 0.00 0.00 0.00 0.00 46.02 45.14 3f0p n GLY 183 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3f0p s LEU 184 N -2.83 4.39 0.02 0.99 2.96 -1.25 -4.10 118.68 118.86 3f0p s LEU 184 Ca 0.00 2.80 -0.04 0.00 -0.22 0.00 0.00 54.13 56.67 3f0p s LEU 184 Cb 0.00 -3.58 -0.01 0.00 0.50 0.00 0.00 46.19 43.10 3f0p s LEU 184 CO 0.00 -1.00 0.06 0.00 -1.32 0.00 0.00 176.35 174.09 3f0p s ALA 185 N 2.33 -0.09 -0.14 5.97 0.00 -0.06 -4.99 121.76 124.79 3f0p s ALA 185 Ca 0.80 -0.41 -0.03 0.00 0.00 0.00 0.00 51.96 52.32 3f0p s ALA 185 Cb -0.47 0.16 -0.03 0.00 0.00 0.00 0.00 23.12 22.78 3f0p s ALA 185 CO 0.35 -0.22 -0.04 0.42 0.00 0.00 0.00 175.76 176.28 3f0p s ILE 186 N -1.72 3.89 0.15 0.00 -1.09 -1.26 -0.57 121.20 120.60 3f0p s ILE 186 Ca -0.13 -0.37 0.05 0.00 -2.23 0.00 0.00 60.65 57.97 3f0p s ILE 186 Cb -0.07 -2.68 -0.04 0.00 -1.58 0.00 0.00 42.46 38.09 3f0p s ILE 186 CO -0.01 0.52 -0.11 0.68 -1.23 0.00 0.00 174.94 174.79 3f0p s VAL 187 N 0.08 1.25 0.69 2.92 -7.23 -0.50 -4.99 120.40 112.62 3f0p s VAL 187 Ca -0.00 -2.00 -0.15 0.00 -1.81 0.00 0.00 61.98 58.02 3f0p s VAL 187 Cb -0.13 -1.79 0.02 0.00 0.56 0.00 0.00 36.38 35.03 3f0p s VAL 187 CO 0.03 -0.67 1.13 -0.94 -0.31 0.00 0.00 175.10 174.34 3f0p s SER 188 N -3.04 4.84 0.47 4.85 1.04 -1.26 -0.50 113.70 120.09 3f0p s SER 188 Ca 0.16 2.06 0.12 0.00 0.48 0.00 0.00 55.95 58.76 3f0p s SER 188 Cb 0.01 -2.56 1.07 0.00 0.10 0.00 0.00 66.02 64.64 3f0p s SER 188 CO 0.02 -1.82 2.09 1.62 0.98 0.00 0.00 173.24 176.13 3f0p h VAL 189 N -0.17 1.06 -0.38 5.02 3.04 -1.49 -0.95 116.25 122.38 3f0p h VAL 189 Ca -0.47 -0.15 -0.13 0.00 -1.01 0.00 0.00 66.70 64.95 3f0p h VAL 189 Cb 1.25 0.83 -0.01 0.00 -2.01 0.00 0.00 31.29 31.35 3f0p h VAL 189 CO 0.53 0.06 -0.27 0.45 -1.01 0.00 0.00 177.57 177.33 3f0p h HIS 190 N 0.23 0.92 -0.44 3.17 3.86 -1.91 -1.03 115.15 119.95 3f0p h HIS 190 Ca 0.06 -0.23 -0.09 0.00 -1.16 0.00 0.00 60.37 58.95 3f0p h HIS 190 Cb 0.01 -0.21 -0.02 0.00 1.06 0.00 0.00 27.41 28.25 3f0p h HIS 190 CO 0.00 0.98 -0.10 1.49 0.86 0.00 0.00 177.93 181.16 3f0p h GLU 191 N 0.68 0.79 -0.67 2.45 4.81 -1.70 -1.63 114.58 119.31 3f0p h GLU 191 Ca 0.08 -0.26 -0.05 0.00 -0.13 0.00 0.00 59.36 59.01 3f0p h GLU 191 Cb 0.80 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 30.08 3f0p h GLU 191 CO 0.07 0.86 0.22 0.00 -0.73 0.00 0.00 179.01 179.43 3f0p h ALA 192 N 1.17 1.12 -0.49 2.92 0.00 -0.93 -0.95 119.26 122.11 3f0p h ALA 192 Ca 0.12 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 3f0p h ALA 192 Cb 0.58 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 3f0p h ALA 192 CO 0.04 0.61 0.05 0.35 0.00 0.00 0.00 179.25 180.30 3f0p h PHE 193 N 0.99 0.89 -1.00 0.00 3.57 -0.90 -0.39 116.94 120.08 3f0p h PHE 193 Ca 0.22 -0.14 0.04 0.00 3.53 0.00 0.00 57.97 61.62 3f0p h PHE 193 Cb 0.26 -0.24 -0.06 0.00 2.79 0.00 0.00 35.95 38.70 3f0p h PHE 193 CO 0.02 0.83 0.66 0.78 -2.23 0.00 0.00 178.31 178.36 3f0p h GLY 194 N 0.70 1.47 1.00 2.40 0.00 -0.97 0.18 103.07 107.84 3f0p h GLY 194 Ca 0.14 -0.50 -0.00 0.00 0.00 0.00 0.00 47.33 46.97 3f0p h GLY 194 CO 0.02 0.43 0.35 -2.00 0.00 0.00 0.00 176.54 175.34 3f0p h LEU 195 N 1.27 0.68 -0.81 3.11 5.85 -0.66 -2.10 115.31 122.65 3f0p h LEU 195 Ca 0.40 -0.05 0.06 0.00 0.84 0.00 0.00 57.88 59.13 3f0p h LEU 195 Cb -0.00 -0.17 -0.06 0.00 0.37 0.00 0.00 40.66 40.80 3f0p h LEU 195 CO -0.12 0.52 0.49 1.23 -0.34 0.00 0.00 178.44 180.22 3f0p h GLY 196 N 0.77 1.20 1.04 3.75 0.00 0.15 -1.58 103.07 108.41 3f0p h GLY 196 Ca 0.21 -0.36 -0.03 0.00 0.00 0.00 0.00 47.33 47.15 3f0p h GLY 196 CO -0.04 0.25 0.43 1.46 0.00 0.00 0.00 176.54 178.64 3f0p h GLN 197 N 0.92 1.24 -0.33 4.80 4.20 -0.51 -0.35 115.11 125.07 3f0p h GLN 197 Ca 0.35 -0.18 -0.11 0.00 0.06 0.00 0.00 58.65 58.77 3f0p h GLN 197 Cb 0.14 -0.23 -0.01 0.00 0.30 0.00 0.00 27.48 27.68 3f0p h GLN 197 CO -0.16 0.94 -0.26 1.49 -0.67 0.00 0.00 178.83 180.17 3f0p h GLU 198 N 1.23 0.67 -0.15 1.46 4.57 -0.96 -0.29 114.58 121.10 3f0p h GLU 198 Ca 0.30 -0.28 -0.02 0.00 -1.18 0.00 0.00 59.36 58.18 3f0p h GLU 198 Cb 0.10 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.66 3f0p h GLU 198 CO -0.04 0.86 0.02 0.35 -1.18 0.00 0.00 179.01 179.03 3f0p h PHE 199 N 0.58 0.27 -0.79 0.92 3.57 -0.84 -2.34 116.94 118.33 3f0p h PHE 199 Ca 0.08 -0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.53 3f0p h PHE 199 Cb 0.74 -0.08 -0.04 0.00 2.79 0.00 0.00 35.95 39.37 3f0p h PHE 199 CO 0.03 0.43 0.46 -0.91 -2.23 0.00 0.00 178.31 176.10 3f0p h ASN 200 N 0.04 0.95 -0.29 0.41 2.35 -0.88 0.81 115.58 118.96 3f0p h ASN 200 Ca 0.05 -0.06 -0.01 0.00 -0.55 0.00 0.00 56.30 55.72 3f0p h ASN 200 Cb 0.31 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.42 3f0p h ASN 200 CO 0.00 0.74 0.13 -0.09 -1.65 0.00 0.00 177.43 176.56 3f0p h ARG 201 N 1.09 0.43 -0.35 0.81 2.43 -0.96 0.34 114.38 118.18 3f0p h ARG 201 Ca 0.28 -0.07 -0.02 0.00 -0.81 0.00 0.00 59.98 59.35 3f0p h ARG 201 Cb -0.03 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.44 3f0p h ARG 201 CO -0.05 0.44 0.13 0.45 -1.51 0.00 0.00 179.97 179.42 3f0p h HIS 202 N 0.33 0.55 0.10 2.20 3.86 -1.02 -3.17 115.15 118.00 3f0p h HIS 202 Ca 0.10 -0.05 0.01 0.00 -1.16 0.00 0.00 60.37 59.28 3f0p h HIS 202 Cb 0.16 -0.16 -0.02 0.00 1.06 0.00 0.00 27.41 28.44 3f0p h HIS 202 CO -0.01 0.52 -0.19 1.25 0.86 0.00 0.00 177.93 180.36 3f0p h LEU 203 N 0.41 -0.52 0.00 2.43 5.85 -0.67 -3.52 115.31 119.30 3f0p h LEU 203 Ca 0.11 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.90 3f0p h LEU 203 Cb 0.22 0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.44 3f0p h LEU 203 CO -0.01 -0.27 0.00 0.18 -0.34 0.00 0.00 178.44 178.01