#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s6l n ASP 22 N 0.00 4.88 0.00 0.00 2.03 -1.26 -4.99 116.55 117.22 1s6l n ASP 22 Ca 0.00 -3.73 0.00 0.00 0.52 0.00 0.00 54.79 51.58 1s6l n ASP 22 Cb 0.00 -0.78 0.00 0.00 -0.72 0.00 0.00 41.12 39.62 1s6l n ASP 22 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1s6l n LEU 23 N -1.02 0.00 -4.01 -2.67 4.32 -1.26 -4.51 117.00 107.86 1s6l n LEU 23 Ca 0.53 0.00 -0.22 0.00 -0.02 0.00 0.00 56.01 56.30 1s6l n LEU 23 Cb 1.12 0.00 -0.16 0.00 -1.62 0.00 0.00 43.42 42.76 1s6l n LEU 23 CO 0.55 0.00 -0.45 -1.48 -1.22 0.00 0.00 177.39 174.79 1s6l s LEU 24 N 0.00 1.69 -0.05 2.23 0.05 -1.26 -5.11 118.68 116.22 1s6l s LEU 24 Ca 0.00 -0.23 -0.30 0.00 0.05 0.00 0.00 54.13 53.66 1s6l s LEU 24 Cb 0.00 -0.66 -0.05 0.00 -2.05 0.00 0.00 46.19 43.43 1s6l s LEU 24 CO 0.00 0.05 1.57 0.54 -0.55 0.00 0.00 176.35 177.96 1s6l s VAL 25 N 0.42 3.65 0.25 1.48 0.11 -1.26 -4.90 120.40 120.15 1s6l s VAL 25 Ca -0.08 0.85 0.14 0.00 -2.93 0.00 0.00 61.98 59.96 1s6l s VAL 25 Cb -0.12 -3.55 0.05 0.00 -1.53 0.00 0.00 36.38 31.23 1s6l s VAL 25 CO 0.02 -0.06 1.69 1.55 -3.33 0.00 0.00 175.10 174.96 1s6l h PRO 26 N 9.06 0.00 0.06 1.54 0.13 -1.98 -2.65 132.00 138.16 1s6l h PRO 26 Ca -0.38 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 64.78 1s6l h PRO 26 Cb 1.17 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.25 1s6l h PRO 26 CO 0.95 0.50 -0.41 -0.07 -0.23 0.00 0.00 178.00 178.74 1s6l h LEU 27 N 0.00 -1.21 -0.51 1.56 4.07 -1.98 0.97 115.31 118.21 1s6l h LEU 27 Ca -0.00 0.14 -0.12 0.00 0.08 0.00 0.00 57.88 57.98 1s6l h LEU 27 Cb 0.96 0.47 -0.02 0.00 1.08 0.00 0.00 40.66 43.15 1s6l h LEU 27 CO 0.06 -0.47 -0.56 -0.07 -1.08 0.00 0.00 178.44 176.33 1s6l h LEU 28 N -0.60 0.00 0.34 1.67 -0.00 -1.98 -1.96 115.31 112.78 1s6l h LEU 28 Ca 0.04 0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 57.90 1s6l h LEU 28 Cb 0.66 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.32 1s6l h LEU 28 CO -0.27 0.56 -0.16 -0.09 -0.00 0.00 0.00 178.44 178.47 1s6l h ARG 29 N 0.00 -0.44 0.00 1.13 1.12 -1.02 0.29 114.38 115.46 1s6l h ARG 29 Ca -0.01 0.03 -0.05 0.00 -1.11 0.00 0.00 59.98 58.84 1s6l h ARG 29 Cb 1.21 0.10 -0.01 0.00 -0.01 0.00 0.00 29.97 31.26 1s6l h ARG 29 CO 0.07 -0.28 -0.24 1.49 -3.11 0.00 0.00 179.97 177.91 1s6l h GLU 30 N -0.49 0.00 -0.11 0.20 4.22 -0.88 -3.07 114.58 114.45 1s6l h GLU 30 Ca -0.05 0.00 -0.02 0.00 0.08 0.00 0.00 59.36 59.38 1s6l h GLU 30 Cb 0.37 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.62 1s6l h GLU 30 CO 0.08 0.24 0.00 1.25 -2.18 0.00 0.00 179.01 178.40 1s6l h LEU 31 N 0.00 0.19 -2.01 1.64 6.46 -0.51 -2.66 115.31 118.42 1s6l h LEU 31 Ca -0.00 -0.31 0.12 0.00 -0.12 0.00 0.00 57.88 57.56 1s6l h LEU 31 Cb 0.74 -0.05 -0.02 0.00 -0.73 0.00 0.00 40.66 40.60 1s6l h LEU 31 CO 0.03 0.45 0.41 0.00 -0.62 0.00 0.00 178.44 178.72 1s6l h ALA 32 N 0.74 2.11 0.00 1.25 0.00 -0.35 0.87 119.26 123.88 1s6l h ALA 32 Ca 0.03 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1s6l h ALA 32 Cb 0.36 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 1s6l h ALA 32 CO 0.01 -0.62 -0.08 -0.22 0.00 0.00 0.00 179.25 178.34 1s6l h LYS 33 N 0.00 0.00 -5.73 0.00 3.64 -1.53 -3.46 116.57 109.50 1s6l h LYS 33 Ca 0.19 0.00 -0.35 0.00 -1.27 0.00 0.00 60.65 59.21 1s6l h LYS 33 Cb 1.01 0.00 0.16 0.00 -0.41 0.00 0.00 32.23 32.99 1s6l h LYS 33 CO -0.00 0.08 -0.75 0.41 -2.27 0.00 0.00 179.45 176.92 1s6l n GLY 34 N -0.29 -0.41 3.38 5.01 0.00 0.30 -5.02 105.19 108.16 1s6l n GLY 34 Ca -0.01 0.15 -0.19 0.00 0.00 0.00 0.00 46.02 45.97 1s6l n GLY 34 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1s6l s ARG 35 N -5.66 1.44 -0.26 1.61 0.52 -1.26 -5.09 118.95 110.24 1s6l s ARG 35 Ca 0.18 -1.71 -0.29 0.00 -0.52 0.00 0.00 55.73 53.39 1s6l s ARG 35 Cb -0.08 -0.99 -0.03 0.00 0.52 0.00 0.00 34.95 34.37 1s6l s ARG 35 CO 0.73 0.03 1.85 -1.25 0.02 0.00 0.00 175.30 176.69 1s6l s PRO 36 N -3.75 3.44 -0.28 3.54 0.04 -1.26 -4.87 135.00 131.87 1s6l s PRO 36 Ca 0.27 1.67 -0.00 0.00 0.04 0.00 0.00 61.00 62.98 1s6l s PRO 36 Cb 0.03 -4.19 0.05 0.00 0.04 0.00 0.00 34.50 30.43 1s6l s PRO 36 CO 0.10 -1.73 -0.04 0.08 0.04 0.00 0.00 177.00 175.44 1s6l s VAL 37 N 6.65 2.73 0.77 -0.36 1.01 -1.22 -5.04 120.40 124.93 1s6l s VAL 37 Ca 0.83 -1.39 -0.02 0.00 0.00 0.00 0.00 61.98 61.40 1s6l s VAL 37 Cb -0.26 -2.54 0.15 0.00 0.00 0.00 0.00 36.38 33.73 1s6l s VAL 37 CO 0.33 -0.02 1.05 -0.94 0.00 0.00 0.00 175.10 175.52 1s6l s SER 38 N 1.22 4.09 0.13 3.32 1.04 -1.26 -2.06 113.70 120.18 1s6l s SER 38 Ca -0.05 -0.44 -0.12 0.00 0.48 0.00 0.00 55.95 55.81 1s6l s SER 38 Cb -0.19 0.19 -0.04 0.00 0.10 0.00 0.00 66.02 66.07 1s6l s SER 38 CO -0.03 -2.05 1.48 0.03 0.98 0.00 0.00 173.24 173.65 1s6l h ARG 39 N -0.69 0.87 0.00 4.02 3.08 -1.97 0.34 114.38 120.03 1s6l h ARG 39 Ca -0.35 -0.43 -0.03 0.00 0.07 0.00 0.00 59.98 59.24 1s6l h ARG 39 Cb 1.26 -0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.30 1s6l h ARG 39 CO 0.37 1.08 -0.14 1.79 -1.07 0.00 0.00 179.97 181.99 1s6l h THR 40 N 0.68 0.56 0.11 2.04 1.35 -1.95 1.54 112.91 117.24 1s6l h THR 40 Ca 0.07 -0.64 -0.27 0.00 -0.55 0.00 0.00 66.41 65.03 1s6l h THR 40 Cb 0.87 1.42 -0.00 0.00 -1.73 0.00 0.00 68.15 68.71 1s6l h THR 40 CO 0.08 0.14 -1.36 0.74 -0.25 0.00 0.00 175.52 174.86 1s6l h THR 41 N 0.00 1.05 -0.52 6.82 2.02 -1.87 0.99 112.91 121.39 1s6l h THR 41 Ca -0.00 -2.39 -0.04 0.00 0.77 0.00 0.00 66.41 64.75 1s6l h THR 41 Cb 0.41 2.72 -0.03 0.00 -1.74 0.00 0.00 68.15 69.51 1s6l h THR 41 CO 0.02 0.68 0.18 0.25 0.37 0.00 0.00 175.52 177.02 1s6l h LEU 42 N -0.35 0.70 -0.13 2.58 6.46 0.01 1.89 115.31 126.46 1s6l h LEU 42 Ca -0.30 -0.10 -0.16 0.00 -0.12 0.00 0.00 57.88 57.21 1s6l h LEU 42 Cb 1.72 -0.18 0.01 0.00 -0.73 0.00 0.00 40.66 41.47 1s6l h LEU 42 CO 0.05 0.66 -0.52 0.00 -0.62 0.00 0.00 178.44 178.00 1s6l h ALA 43 N 1.44 0.24 -0.07 1.25 0.00 0.21 0.14 119.26 122.47 1s6l h ALA 43 Ca 0.18 -0.51 -0.10 0.00 0.00 0.00 0.00 54.91 54.48 1s6l h ALA 43 Cb 0.20 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1s6l h ALA 43 CO -0.01 0.44 -0.40 0.78 0.00 0.00 0.00 179.25 180.06 1s6l h GLY 44 N 0.23 0.17 0.54 0.00 0.00 0.20 0.43 103.07 104.63 1s6l h GLY 44 Ca -0.03 -0.15 -0.12 0.00 0.00 0.00 0.00 47.33 47.03 1s6l h GLY 44 CO 0.11 0.14 -0.51 -2.22 0.00 0.00 0.00 176.54 174.06 1s6l h ILE 45 N 0.13 1.55 0.00 2.60 2.04 0.30 -3.17 117.51 120.97 1s6l h ILE 45 Ca 0.01 -2.29 0.00 0.00 1.00 0.00 0.00 64.86 63.58 1s6l h ILE 45 Cb 0.77 3.03 0.00 0.00 -0.74 0.00 0.00 36.82 39.88 1s6l h ILE 45 CO 0.06 0.64 0.00 0.18 0.00 0.00 0.00 178.15 179.03 1s6l n LEU 46 N -4.31 0.00 -1.75 1.44 4.32 0.47 -4.83 117.00 112.34 1s6l n LEU 46 Ca -0.12 0.48 -0.21 0.00 -0.02 0.00 0.00 56.01 56.14 1s6l n LEU 46 Cb 0.67 -0.48 -0.08 0.00 -1.62 0.00 0.00 43.42 41.91 1s6l n LEU 46 CO 0.44 -0.10 -0.21 -0.67 -1.22 0.00 0.00 177.39 175.62 1s6l n ASP 47 N -1.48 -5.58 -4.88 -1.43 2.03 0.12 -4.95 116.55 100.38 1s6l n ASP 47 Ca 0.06 0.42 -0.22 0.00 0.52 0.00 0.00 54.79 55.58 1s6l n ASP 47 Cb 0.26 -4.88 -0.03 0.00 -0.72 0.00 0.00 41.12 35.75 1s6l n ASP 47 CO 0.00 0.00 0.00 0.26 -1.92 0.00 0.00 177.20 175.54 1s6l s TRP 48 N -2.82 3.23 0.29 -0.67 0.51 0.26 -4.99 118.94 114.76 1s6l s TRP 48 Ca 0.00 -0.08 -0.29 0.00 -2.12 0.00 0.00 56.10 53.61 1s6l s TRP 48 Cb 0.00 -1.47 -0.10 0.00 -0.81 0.00 0.00 33.47 31.09 1s6l s TRP 48 CO 0.00 0.49 1.27 -1.25 -0.51 0.00 0.00 176.95 176.94 1s6l s PRO 49 N -3.90 4.42 0.66 4.98 0.04 -1.26 -4.41 135.00 135.53 1s6l s PRO 49 Ca 0.33 2.10 0.20 0.00 0.04 0.00 0.00 61.00 63.68 1s6l s PRO 49 Cb -0.08 -3.12 1.11 0.00 0.04 0.00 0.00 34.50 32.45 1s6l s PRO 49 CO 0.26 -0.12 1.63 0.00 0.04 0.00 0.00 177.00 178.81 1s6l h ALA 50 N 3.90 1.56 0.04 8.56 0.00 -1.91 0.44 119.26 131.84 1s6l h ALA 50 Ca -0.48 -0.00 -0.22 0.00 0.00 0.00 0.00 54.91 54.21 1s6l h ALA 50 Cb 1.22 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 1s6l h ALA 50 CO 0.68 -0.56 -1.02 0.93 0.00 0.00 0.00 179.25 179.29 1s6l h GLU 51 N 0.00 0.14 -0.48 0.00 3.07 -1.97 -1.80 114.58 113.54 1s6l h GLU 51 Ca 0.00 -0.20 -0.11 0.00 -0.50 0.00 0.00 59.36 58.56 1s6l h GLU 51 Cb 1.11 0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 29.07 1s6l h GLU 51 CO -0.00 1.04 -0.12 0.00 -1.40 0.00 0.00 179.01 178.52 1s6l h ARG 52 N 0.05 0.94 -0.17 2.33 -0.00 -0.48 0.27 114.38 117.32 1s6l h ARG 52 Ca -0.06 -0.36 -0.01 0.00 -0.50 0.00 0.00 59.98 59.05 1s6l h ARG 52 Cb 1.73 -0.05 -0.01 0.00 0.00 0.00 0.00 29.97 31.64 1s6l h ARG 52 CO 0.15 1.02 0.08 0.28 0.00 0.00 0.00 179.97 181.50 1s6l h VAL 53 N 0.79 1.14 -0.17 2.04 2.07 -1.52 -2.51 116.25 118.09 1s6l h VAL 53 Ca 0.12 -0.41 0.05 0.00 0.82 0.00 0.00 66.70 67.28 1s6l h VAL 53 Cb 0.68 1.10 -0.05 0.00 -1.52 0.00 0.00 31.29 31.50 1s6l h VAL 53 CO 0.05 0.13 -0.17 0.00 0.02 0.00 0.00 177.57 177.60 1s6l h ALA 54 N 0.93 -0.06 -1.01 1.67 0.00 -1.01 -1.15 119.26 118.63 1s6l h ALA 54 Ca 0.06 0.06 0.24 0.00 0.00 0.00 0.00 54.91 55.27 1s6l h ALA 54 Cb 0.14 0.35 -0.11 0.00 0.00 0.00 0.00 17.79 18.17 1s6l h ALA 54 CO -0.01 -0.61 0.62 0.00 0.00 0.00 0.00 179.25 179.26 1s6l h ALA 55 N 0.88 1.91 -0.17 0.00 0.00 -0.25 0.67 119.26 122.30 1s6l h ALA 55 Ca 0.11 0.09 0.05 0.00 0.00 0.00 0.00 54.91 55.16 1s6l h ALA 55 Cb 0.36 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1s6l h ALA 55 CO -0.28 -0.34 0.12 0.28 0.00 0.00 0.00 179.25 179.02 1s6l h VAL 56 N 0.56 0.92 0.00 0.00 2.07 -0.77 0.38 116.25 119.41 1s6l h VAL 56 Ca 0.61 -0.00 -0.08 0.00 0.82 0.00 0.00 66.70 68.05 1s6l h VAL 56 Cb 1.25 0.91 -0.01 0.00 -1.52 0.00 0.00 31.29 31.92 1s6l h VAL 56 CO -0.40 0.00 -0.45 -0.07 0.02 0.00 0.00 177.57 176.67 1s6l h LEU 57 N 0.01 0.00 -2.25 2.57 4.07 0.40 -2.75 115.31 117.36 1s6l h LEU 57 Ca 0.08 0.00 0.04 0.00 0.08 0.00 0.00 57.88 58.08 1s6l h LEU 57 Cb 0.31 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.04 1s6l h LEU 57 CO -0.00 0.36 0.24 -0.08 -1.08 0.00 0.00 178.44 177.88 1s6l h GLU 58 N 0.00 0.00 0.00 1.13 4.22 -0.47 -1.50 114.58 117.97 1s6l h GLU 58 Ca -0.01 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.43 1s6l h GLU 58 Cb 1.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.54 1s6l h GLU 58 CO 0.05 0.00 0.00 1.04 -2.18 0.00 0.00 179.01 177.92 1s6l n GLN 59 N -3.47 0.89 -3.69 1.92 6.02 -1.23 -4.87 117.38 112.96 1s6l n GLN 59 Ca 0.01 -0.82 -0.27 0.00 -0.01 0.00 0.00 57.00 55.90 1s6l n GLN 59 Cb 0.34 -0.83 -0.11 0.00 1.02 0.00 0.00 30.24 30.66 1s6l n GLN 59 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1s6l n ALA 60 N -0.19 3.49 -0.02 -1.58 0.00 -0.56 -4.83 120.51 116.81 1s6l n ALA 60 Ca 0.00 -4.39 0.06 0.00 0.00 0.00 0.00 53.44 49.11 1s6l n ALA 60 Cb 0.23 -0.96 -0.16 0.00 0.00 0.00 0.00 19.45 18.57 1s6l n ALA 60 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1s6l n THR 61 N 1.73 0.38 0.20 0.00 -2.24 -1.25 -4.25 114.28 108.84 1s6l n THR 61 Ca 0.24 -0.59 0.07 0.00 -2.27 0.00 0.00 64.05 61.50 1s6l n THR 61 Cb 0.39 -0.14 0.41 0.00 -2.10 0.00 0.00 70.33 68.89 1s6l n THR 61 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1s6l h SER 62 N 0.00 0.00 -3.47 3.42 4.64 -1.94 -3.45 113.55 112.75 1s6l h SER 62 Ca -0.13 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 60.63 1s6l h SER 62 Cb 1.30 0.00 0.12 0.00 -0.31 0.00 0.00 62.40 63.51 1s6l h SER 62 CO 0.01 0.32 0.51 0.41 -0.87 0.00 0.00 176.83 177.21 1s6l n THR 63 N -3.59 2.29 -2.64 2.95 -1.04 -1.26 -4.93 114.28 106.06 1s6l n THR 63 Ca -0.01 -0.50 -0.42 0.00 -2.04 0.00 0.00 64.05 61.08 1s6l n THR 63 Cb 0.45 -1.59 -0.03 0.00 -1.82 0.00 0.00 70.33 67.34 1s6l n THR 63 CO 0.00 0.00 0.00 -0.70 -0.64 0.00 0.00 175.07 173.73 1s6l s GLU 64 N -2.06 4.44 0.45 -2.82 2.12 -1.26 -5.04 118.70 114.52 1s6l s GLU 64 Ca 0.58 1.47 0.08 0.00 0.36 0.00 0.00 54.97 57.46 1s6l s GLU 64 Cb -0.53 -3.51 0.01 0.00 0.26 0.00 0.00 34.13 30.35 1s6l s GLU 64 CO 0.60 -0.27 0.49 0.71 -0.54 0.00 0.00 175.26 176.25 1s6l s TYR 65 N 1.75 2.50 0.21 5.30 2.02 -1.26 -3.05 117.35 124.83 1s6l s TYR 65 Ca 0.51 -0.52 -0.00 0.00 -0.37 0.00 0.00 57.07 56.69 1s6l s TYR 65 Cb -0.21 -2.23 0.04 0.00 -0.40 0.00 0.00 41.96 39.17 1s6l s TYR 65 CO 0.22 -0.37 0.29 -3.47 -1.57 0.00 0.00 175.55 170.65 1s6l n ASP 66 N -1.75 0.40 -0.12 2.29 -0.08 0.44 -4.68 116.55 113.05 1s6l n ASP 66 Ca 0.06 -1.34 -0.06 0.00 -1.51 0.00 0.00 54.79 51.94 1s6l n ASP 66 Cb 0.61 -0.19 0.11 0.00 2.34 0.00 0.00 41.12 43.99 1s6l n ASP 66 CO 0.00 0.00 0.00 0.07 0.12 0.00 0.00 177.20 177.39 1s6l h LYS 67 N 0.00 0.84 -0.38 -0.67 2.10 -2.01 -2.50 116.57 113.95 1s6l h LYS 67 Ca -0.10 -0.27 0.00 0.00 -2.00 0.00 0.00 60.65 58.29 1s6l h LYS 67 Cb 0.36 -0.08 0.00 0.00 -0.90 0.00 0.00 32.23 31.61 1s6l h LYS 67 CO 0.10 0.89 0.00 -3.47 -2.00 0.00 0.00 179.45 174.97 1s6l n ASP 68 N -4.17 2.09 0.00 7.07 2.03 -1.26 -4.89 116.55 117.42 1s6l n ASP 68 Ca 0.02 -1.98 0.00 0.00 0.52 0.00 0.00 54.79 53.35 1s6l n ASP 68 Cb 0.35 -0.25 0.00 0.00 -0.72 0.00 0.00 41.12 40.50 1s6l n ASP 68 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1s6l n GLY 69 N 1.13 0.51 3.96 0.27 0.00 -0.94 -5.06 105.19 105.06 1s6l n GLY 69 Ca 0.13 -0.78 -0.23 0.00 0.00 0.00 0.00 46.02 45.15 1s6l n GLY 69 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1s6l s ASN 70 N -2.71 5.49 -0.25 1.61 0.01 -1.26 -4.66 114.94 113.17 1s6l s ASN 70 Ca 0.00 0.20 -0.29 0.00 -0.71 0.00 0.00 52.86 52.06 1s6l s ASN 70 Cb 0.00 -1.22 0.01 0.00 0.41 0.00 0.00 41.25 40.45 1s6l s ASN 70 CO 0.00 -1.00 1.06 -0.63 -1.51 0.00 0.00 177.10 175.02 1s6l s ILE 71 N -2.74 4.63 -0.13 0.60 1.09 -0.88 0.17 121.20 123.93 1s6l s ILE 71 Ca 0.54 1.95 0.17 0.00 -1.10 0.00 0.00 60.65 62.20 1s6l s ILE 71 Cb -0.10 -4.32 -0.24 0.00 -1.06 0.00 0.00 42.46 36.73 1s6l s ILE 71 CO 0.39 -0.25 0.16 0.00 -0.10 0.00 0.00 174.94 175.15 1s6l n ILE 72 N 5.45 0.88 -3.31 2.92 3.06 -1.17 -3.44 119.36 123.75 1s6l n ILE 72 Ca 0.12 -0.67 0.06 0.00 -2.50 0.00 0.00 62.75 59.77 1s6l n ILE 72 Cb 0.46 -0.37 -0.02 0.00 0.54 0.00 0.00 39.64 40.26 1s6l n ILE 72 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1s6l n GLY 73 N 1.77 -1.51 1.47 4.50 0.00 -1.22 -4.85 105.19 105.35 1s6l n GLY 73 Ca -0.22 -1.15 0.09 0.00 0.00 0.00 0.00 46.02 44.74 1s6l n GLY 73 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1s6l n TYR 74 N -2.35 -3.99 0.00 1.61 4.01 -1.26 -4.87 117.16 110.31 1s6l n TYR 74 Ca 0.00 2.19 0.00 0.00 -0.16 0.00 0.00 57.90 59.93 1s6l n TYR 74 Cb 0.21 -3.50 0.00 0.00 -0.31 0.00 0.00 39.34 35.73 1s6l n TYR 74 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1s6l n GLY 75 N -3.50 -1.65 5.04 2.72 0.00 -1.26 -4.75 105.19 101.78 1s6l n GLY 75 Ca -0.05 0.72 0.00 0.00 0.00 0.00 0.00 46.02 46.69 1s6l n GLY 75 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1s6l n LEU 76 N 0.00 0.00 -4.35 0.99 4.32 -1.26 -4.56 117.00 112.14 1s6l n LEU 76 Ca 0.00 0.00 -0.19 0.00 -0.02 0.00 0.00 56.01 55.80 1s6l n LEU 76 Cb 0.00 0.00 -0.10 0.00 -1.62 0.00 0.00 43.42 41.70 1s6l n LEU 76 CO 0.00 0.00 -0.45 0.42 -1.22 0.00 0.00 177.39 176.14 1s6l s THR 77 N 0.00 1.78 -0.50 -5.08 -4.23 -1.26 -5.04 115.64 101.32 1s6l s THR 77 Ca 0.00 -2.18 -0.06 0.00 -1.18 0.00 0.00 61.69 58.27 1s6l s THR 77 Cb 0.00 -2.02 -0.11 0.00 1.34 0.00 0.00 72.50 71.70 1s6l s THR 77 CO 0.00 -0.55 3.17 0.18 -0.54 0.00 0.00 174.62 176.89 1s6l n LEU 78 N -0.30 6.38 -2.91 4.79 4.32 -1.26 -4.81 117.00 123.21 1s6l n LEU 78 Ca -0.09 -3.77 -0.01 0.00 -0.02 0.00 0.00 56.01 52.12 1s6l n LEU 78 Cb 0.60 -1.38 -0.01 0.00 -1.62 0.00 0.00 43.42 41.00 1s6l n LEU 78 CO 0.34 1.80 -0.41 0.54 -1.22 0.00 0.00 177.39 178.44 1s6l n ARG 79 N 2.13 -2.38 0.00 3.23 1.74 -1.26 -5.02 116.66 115.10 1s6l n ARG 79 Ca 0.52 2.04 0.00 0.00 -0.77 0.00 0.00 57.85 59.63 1s6l n ARG 79 Cb 0.65 -2.94 0.00 0.00 -1.02 0.00 0.00 32.46 29.15 1s6l n ARG 79 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 1s6l n GLU 80 N 1.63 0.00 -0.03 5.56 4.07 -1.26 -5.13 120.64 125.48 1s6l n GLU 80 Ca -0.11 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 56.99 1s6l n GLU 80 Cb 0.29 0.00 -0.00 0.00 -0.06 0.00 0.00 31.44 31.67 1s6l n GLU 80 CO 0.00 0.00 0.00 0.25 -0.06 0.00 0.00 177.13 177.32 1s6l n THR 81 N 0.00 0.00 0.02 6.31 -2.24 -1.26 -4.63 114.28 112.48 1s6l n THR 81 Ca 0.00 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 61.85 1s6l n THR 81 Cb 0.00 -0.01 -0.11 0.00 -2.10 0.00 0.00 70.33 68.11 1s6l n THR 81 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1s6l n SER 82 N -4.12 1.79 -4.61 3.42 3.41 -1.26 -4.92 113.62 107.33 1s6l n SER 82 Ca 0.00 -0.03 -0.43 0.00 -0.26 0.00 0.00 58.87 58.15 1s6l n SER 82 Cb 0.01 1.61 -0.02 0.00 -0.26 0.00 0.00 64.21 65.55 1s6l n SER 82 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 1s6l s TYR 83 N -2.94 2.61 -0.09 7.33 1.51 -1.26 -4.60 117.35 119.92 1s6l s TYR 83 Ca -0.05 0.74 -0.00 0.00 -1.01 0.00 0.00 57.07 56.75 1s6l s TYR 83 Cb 0.09 -4.25 -0.03 0.00 -0.11 0.00 0.00 41.96 37.66 1s6l s TYR 83 CO 0.57 -1.67 -0.06 0.08 -1.11 0.00 0.00 175.55 173.37 1s6l s VAL 84 N 4.87 3.77 -0.28 0.71 1.01 -0.37 -0.82 120.40 129.29 1s6l s VAL 84 Ca 0.56 -0.44 0.01 0.00 0.00 0.00 0.00 61.98 62.10 1s6l s VAL 84 Cb -0.12 -2.57 0.08 0.00 0.00 0.00 0.00 36.38 33.77 1s6l s VAL 84 CO 0.30 0.58 0.02 0.12 0.00 0.00 0.00 175.10 176.11 1s6l s PHE 85 N -0.54 2.41 -0.22 5.22 5.36 0.18 -0.47 117.98 129.90 1s6l s PHE 85 Ca 0.08 -1.96 -0.14 0.00 -0.96 0.00 0.00 56.93 53.96 1s6l s PHE 85 Cb -0.12 -1.87 -0.04 0.00 -0.34 0.00 0.00 43.02 40.65 1s6l s PHE 85 CO 0.02 -0.83 0.30 -1.21 -1.46 0.00 0.00 175.22 172.04 1s6l s GLU 86 N 1.38 4.12 -0.02 10.12 2.02 0.37 0.17 118.70 136.86 1s6l s GLU 86 Ca 0.02 -0.01 -0.00 0.00 0.02 0.00 0.00 54.97 55.00 1s6l s GLU 86 Cb -0.18 -3.55 0.03 0.00 0.10 0.00 0.00 34.13 30.53 1s6l s GLU 86 CO -0.12 -0.01 0.04 0.96 0.02 0.00 0.00 175.26 176.15 1s6l s ILE 87 N 1.25 -0.07 0.00 -1.63 -4.36 -0.17 0.11 121.20 116.34 1s6l s ILE 87 Ca 0.14 0.24 0.00 0.00 -0.26 0.00 0.00 60.65 60.77 1s6l s ILE 87 Cb -0.14 -0.10 0.00 0.00 1.25 0.00 0.00 42.46 43.47 1s6l s ILE 87 CO 0.07 0.10 0.00 0.47 0.24 0.00 0.00 174.94 175.82 1s6l n ASP 88 N 4.33 0.00 -2.28 4.36 9.92 -1.25 -1.25 116.55 130.38 1s6l n ASP 88 Ca -0.25 0.00 -0.03 0.00 -0.53 0.00 0.00 54.79 53.99 1s6l n ASP 88 Cb 0.50 0.00 0.07 0.00 -0.64 0.00 0.00 41.12 41.05 1s6l n ASP 88 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 1s6l n ASP 89 N 0.93 -0.84 -3.94 -2.24 2.03 -1.26 -5.12 116.55 106.12 1s6l n ASP 89 Ca 0.00 -2.14 -0.10 0.00 0.52 0.00 0.00 54.79 53.08 1s6l n ASP 89 Cb 0.00 0.40 -0.11 0.00 -0.72 0.00 0.00 41.12 40.69 1s6l n ASP 89 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1s6l s ARG 90 N -0.44 0.37 -0.70 -0.67 1.81 -0.38 -5.10 118.95 113.83 1s6l s ARG 90 Ca 0.11 -0.51 -0.01 0.00 -1.72 0.00 0.00 55.73 53.60 1s6l s ARG 90 Cb 0.33 0.14 0.18 0.00 -0.45 0.00 0.00 34.95 35.15 1s6l s ARG 90 CO -0.09 -0.07 0.52 -0.98 -0.68 0.00 0.00 175.30 174.00 1s6l s ARG 91 N -1.38 2.69 0.86 3.54 3.03 -1.26 -1.00 118.95 125.42 1s6l s ARG 91 Ca -0.15 -2.86 -0.11 0.00 2.03 0.00 0.00 55.73 54.63 1s6l s ARG 91 Cb -0.09 -3.71 0.11 0.00 -1.03 0.00 0.00 34.95 30.23 1s6l s ARG 91 CO -0.00 -1.21 1.09 -0.51 -1.13 0.00 0.00 175.30 173.55 1s6l s LEU 92 N -0.64 2.41 0.20 -1.89 1.02 0.46 -4.79 118.68 115.45 1s6l s LEU 92 Ca 0.21 1.45 0.02 0.00 0.02 0.00 0.00 54.13 55.83 1s6l s LEU 92 Cb -0.15 -3.95 -0.05 0.00 0.02 0.00 0.00 46.19 42.06 1s6l s LEU 92 CO -0.07 -2.39 0.01 -0.31 0.02 0.00 0.00 176.35 173.60 1s6l s TYR 93 N -3.00 1.36 0.19 0.29 1.51 -1.26 0.47 117.35 116.91 1s6l s TYR 93 Ca 0.62 -0.99 -0.12 0.00 -1.01 0.00 0.00 57.07 55.57 1s6l s TYR 93 Cb -0.17 -0.78 0.00 0.00 -0.11 0.00 0.00 41.96 40.91 1s6l s TYR 93 CO 0.56 -0.16 0.40 0.00 -1.11 0.00 0.00 175.55 175.24 1s6l s ALA 94 N -3.58 -0.32 -0.17 3.71 0.00 -0.00 -4.23 121.76 117.17 1s6l s ALA 94 Ca 0.27 -0.69 0.19 0.00 0.00 0.00 0.00 51.96 51.72 1s6l s ALA 94 Cb 0.06 0.91 -0.09 0.00 0.00 0.00 0.00 23.12 24.00 1s6l s ALA 94 CO 0.06 -0.74 0.88 0.91 0.00 0.00 0.00 175.76 176.88 1s6l n TRP 95 N -0.29 0.92 -3.96 0.00 7.02 -1.26 -3.98 117.44 115.89 1s6l n TRP 95 Ca -0.07 0.29 -0.10 0.00 -1.02 0.00 0.00 57.50 56.60 1s6l n TRP 95 Cb 0.63 -1.01 -0.03 0.00 -2.42 0.00 0.00 31.31 28.48 1s6l n TRP 95 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1s6l h ALA 97 N 2.11 1.50 0.00 0.00 0.00 -1.39 -2.47 119.26 119.01 1s6l h ALA 97 Ca -0.27 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.54 1s6l h ALA 97 Cb 1.25 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 1s6l h ALA 97 CO 0.36 -0.38 -0.52 1.25 0.00 0.00 0.00 179.25 179.97 1s6l h LEU 98 N 0.00 0.00 -1.74 0.00 7.12 -1.86 -3.35 115.31 115.48 1s6l h LEU 98 Ca 0.04 -0.63 0.17 0.00 0.13 0.00 0.00 57.88 57.59 1s6l h LEU 98 Cb 0.70 0.00 -0.02 0.00 -0.53 0.00 0.00 40.66 40.81 1s6l h LEU 98 CO -0.00 1.12 0.66 0.44 -0.13 0.00 0.00 178.44 180.53 1s6l h ASP 99 N -1.00 0.00 0.00 1.25 3.32 -1.74 0.31 116.42 118.57 1s6l h ASP 99 Ca -0.13 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 56.92 1s6l h ASP 99 Cb 0.98 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.53 1s6l h ASP 99 CO -0.08 0.00 -0.00 0.71 -1.72 0.00 0.00 179.24 178.15 1s6l h THR 100 N 0.00 0.90 -1.77 0.35 1.35 -1.68 -3.44 112.91 108.62 1s6l h THR 100 Ca 0.29 -0.01 0.10 0.00 -0.55 0.00 0.00 66.41 66.23 1s6l h THR 100 Cb 1.61 1.01 -0.05 0.00 -1.73 0.00 0.00 68.15 68.98 1s6l h THR 100 CO -0.00 0.00 -0.56 -0.11 -0.25 0.00 0.00 175.52 174.60 1s6l n LEU 101 N -4.39 -0.65 -2.79 3.87 7.94 0.11 -4.83 117.00 116.26 1s6l n LEU 101 Ca -0.03 1.29 -0.06 0.00 -1.11 0.00 0.00 56.01 56.09 1s6l n LEU 101 Cb 0.09 -1.29 0.01 0.00 0.53 0.00 0.00 43.42 42.76 1s6l n LEU 101 CO 0.33 -0.77 0.11 2.30 -1.11 0.00 0.00 177.39 178.25 1s6l n ILE 102 N -2.67 -0.06 -2.68 1.96 -5.35 -1.26 -5.03 119.36 104.26 1s6l n ILE 102 Ca -0.03 -1.28 -0.26 0.00 -0.27 0.00 0.00 62.75 60.92 1s6l n ILE 102 Cb 0.29 0.97 -0.02 0.00 -1.74 0.00 0.00 39.64 39.15 1s6l n ILE 102 CO 0.00 0.00 0.00 2.22 -1.76 0.00 0.00 176.55 177.01 1s6l n PHE 103 N 2.59 3.51 -0.18 4.28 -1.74 -1.26 -4.86 117.46 119.80 1s6l n PHE 103 Ca 0.16 -3.47 -0.02 0.00 -0.56 0.00 0.00 57.45 53.56 1s6l n PHE 103 Cb 0.57 -0.26 0.18 0.00 1.52 0.00 0.00 39.48 41.50 1s6l n PHE 103 CO 0.00 0.00 0.00 -1.00 -0.56 0.00 0.00 176.76 175.20 1s6l h PRO 104 N 2.76 0.93 -0.03 3.97 0.13 -1.82 -1.64 132.00 136.31 1s6l h PRO 104 Ca 0.21 -0.15 -0.04 0.00 -0.87 0.00 0.00 66.00 65.15 1s6l h PRO 104 Cb 0.77 -0.16 -0.01 0.00 0.13 0.00 0.00 31.00 31.73 1s6l h PRO 104 CO 0.82 0.76 -0.19 0.00 -0.23 0.00 0.00 178.00 179.16 1s6l h ALA 105 N 1.36 1.65 0.06 -0.56 0.00 -1.79 0.32 119.26 120.30 1s6l h ALA 105 Ca 0.22 -0.18 -0.10 0.00 0.00 0.00 0.00 54.91 54.85 1s6l h ALA 105 Cb 0.18 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 17.93 1s6l h ALA 105 CO -0.02 0.27 -0.44 -0.07 0.00 0.00 0.00 179.25 178.98 1s6l h LEU 106 N 0.04 0.19 -0.46 0.00 -0.00 -1.82 -3.35 115.31 109.90 1s6l h LEU 106 Ca 0.01 -0.95 -0.11 0.00 -0.00 0.00 0.00 57.88 56.83 1s6l h LEU 106 Cb 0.35 -0.06 -0.01 0.00 -0.00 0.00 0.00 40.66 40.94 1s6l h LEU 106 CO 0.03 1.20 -0.15 -0.29 -0.00 0.00 0.00 178.44 179.23 1s6l h ILE 107 N -0.74 1.27 0.00 1.22 6.09 -1.21 -3.48 117.51 120.67 1s6l h ILE 107 Ca -0.09 -1.29 0.00 0.00 -1.37 0.00 0.00 64.86 62.12 1s6l h ILE 107 Cb 1.29 1.14 0.00 0.00 0.47 0.00 0.00 36.82 39.72 1s6l h ILE 107 CO 0.05 0.44 0.00 0.61 -3.07 0.00 0.00 178.15 176.18 1s6l n GLY 108 N -0.17 1.69 3.60 8.18 0.00 0.11 -5.05 105.19 113.55 1s6l n GLY 108 Ca -0.00 -0.10 -0.12 0.00 0.00 0.00 0.00 46.02 45.80 1s6l n GLY 108 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1s6l s ARG 109 N -1.16 1.96 0.49 1.61 1.81 -1.05 -5.05 118.95 117.56 1s6l s ARG 109 Ca 0.00 -1.59 -0.05 0.00 -1.72 0.00 0.00 55.73 52.37 1s6l s ARG 109 Cb 0.00 0.50 -0.03 0.00 -0.45 0.00 0.00 34.95 34.97 1s6l s ARG 109 CO 0.00 -0.85 0.79 0.99 -0.68 0.00 0.00 175.30 175.55 1s6l s THR 110 N -2.97 4.84 -0.19 0.02 2.01 -1.26 -4.22 115.64 113.87 1s6l s THR 110 Ca 0.25 0.18 -0.04 0.00 0.31 0.00 0.00 61.69 62.40 1s6l s THR 110 Cb -0.02 -3.84 0.06 0.00 0.01 0.00 0.00 72.50 68.71 1s6l s THR 110 CO 0.16 -0.83 0.06 0.00 -0.69 0.00 0.00 174.62 173.32 1s6l s ALA 111 N -2.75 0.79 -0.25 7.40 0.00 0.35 -3.93 121.76 123.37 1s6l s ALA 111 Ca 0.48 -0.57 -0.26 0.00 0.00 0.00 0.00 51.96 51.61 1s6l s ALA 111 Cb -0.10 -1.13 0.00 0.00 0.00 0.00 0.00 23.12 21.89 1s6l s ALA 111 CO 0.45 -1.18 0.92 1.03 0.00 0.00 0.00 175.76 176.98 1s6l s ARG 112 N 1.96 4.18 -0.16 0.00 0.52 0.31 0.14 118.95 125.90 1s6l s ARG 112 Ca 0.00 1.07 -0.03 0.00 -0.52 0.00 0.00 55.73 56.25 1s6l s ARG 112 Cb -0.17 -3.66 -0.02 0.00 0.52 0.00 0.00 34.95 31.62 1s6l s ARG 112 CO -0.09 -0.60 -0.05 0.08 0.02 0.00 0.00 175.30 174.66 1s6l s VAL 113 N 3.05 3.73 -0.04 3.52 1.01 0.32 0.14 120.40 132.13 1s6l s VAL 113 Ca 0.39 -0.41 0.06 0.00 0.00 0.00 0.00 61.98 62.02 1s6l s VAL 113 Cb -0.15 -2.63 -0.01 0.00 0.00 0.00 0.00 36.38 33.59 1s6l s VAL 113 CO 0.08 0.49 -0.23 -0.44 0.00 0.00 0.00 175.10 175.00 1s6l s SER 114 N 0.48 2.80 0.25 3.32 0.01 0.38 0.14 113.70 121.06 1s6l s SER 114 Ca -0.04 -0.45 0.00 0.00 1.31 0.00 0.00 55.95 56.76 1s6l s SER 114 Cb -0.14 -0.63 -0.03 0.00 0.21 0.00 0.00 66.02 65.42 1s6l s SER 114 CO 0.03 0.24 0.22 -0.44 0.41 0.00 0.00 173.24 173.70 1s6l s SER 115 N -0.24 0.58 -0.05 2.44 0.01 0.49 -1.24 113.70 115.69 1s6l s SER 115 Ca 0.00 -1.46 0.02 0.00 1.31 0.00 0.00 55.95 55.83 1s6l s SER 115 Cb -0.12 0.46 0.01 0.00 0.21 0.00 0.00 66.02 66.59 1s6l s SER 115 CO 0.02 -0.95 -0.09 -1.00 0.41 0.00 0.00 173.24 171.62 1s6l s HIS 116 N -3.89 1.15 0.07 2.43 0.09 -1.26 0.10 115.29 113.98 1s6l s HIS 116 Ca 0.38 -0.38 -0.33 0.00 -0.00 0.00 0.00 55.06 54.72 1s6l s HIS 116 Cb 0.05 -0.88 -0.12 0.00 -0.00 0.00 0.00 32.58 31.63 1s6l s HIS 116 CO 0.16 -0.22 1.74 0.00 -0.00 0.00 0.00 174.74 176.43 1s6l n ALA 118 N 5.01 1.81 -0.00 0.00 0.00 -0.43 -0.15 120.51 126.75 1s6l n ALA 118 Ca 0.19 -0.07 -0.01 0.00 0.00 0.00 0.00 53.44 53.56 1s6l n ALA 118 Cb 0.31 -1.25 -0.00 0.00 0.00 0.00 0.00 19.45 18.51 1s6l n ALA 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1s6l n ALA 119 N -1.35 2.94 0.65 0.00 0.00 -1.26 -4.76 120.51 116.73 1s6l n ALA 119 Ca 0.06 -0.03 0.12 0.00 0.00 0.00 0.00 53.44 53.59 1s6l n ALA 119 Cb 0.14 0.48 0.17 0.00 0.00 0.00 0.00 19.45 20.23 1s6l n ALA 119 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1s6l n THR 120 N -3.07 0.26 -1.06 0.00 -1.04 -1.25 -4.93 114.28 103.20 1s6l n THR 120 Ca -0.02 -0.22 -0.02 0.00 -2.04 0.00 0.00 64.05 61.75 1s6l n THR 120 Cb 0.48 -0.02 -0.01 0.00 -1.82 0.00 0.00 70.33 68.96 1s6l n THR 120 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1s6l n GLY 121 N 1.37 0.29 3.76 3.41 0.00 0.79 -4.91 105.19 109.90 1s6l n GLY 121 Ca 0.03 -0.03 -0.30 0.00 0.00 0.00 0.00 46.02 45.73 1s6l n GLY 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s6l s ALA 122 N -1.37 1.90 -0.49 4.61 0.00 -1.26 -4.51 121.76 120.64 1s6l s ALA 122 Ca 0.00 -0.09 -0.22 0.00 0.00 0.00 0.00 51.96 51.65 1s6l s ALA 122 Cb 0.00 -3.17 0.04 0.00 0.00 0.00 0.00 23.12 19.99 1s6l s ALA 122 CO 0.00 -2.04 0.78 -1.25 0.00 0.00 0.00 175.76 173.24 1s6l s PRO 123 N -5.02 3.31 0.01 0.00 0.05 -1.26 -0.92 135.00 131.17 1s6l s PRO 123 Ca 0.62 -0.34 0.00 0.00 0.05 0.00 0.00 61.00 61.33 1s6l s PRO 123 Cb -0.16 -4.00 -0.04 0.00 0.05 0.00 0.00 34.50 30.34 1s6l s PRO 123 CO 0.56 -1.22 0.07 0.14 0.05 0.00 0.00 177.00 176.60 1s6l s VAL 124 N 3.27 4.63 -0.13 -0.36 -7.23 0.29 -4.53 120.40 116.34 1s6l s VAL 124 Ca 0.26 -0.50 -0.15 0.00 -1.81 0.00 0.00 61.98 59.78 1s6l s VAL 124 Cb -0.14 -3.13 0.04 0.00 0.56 0.00 0.00 36.38 33.71 1s6l s VAL 124 CO 0.19 0.31 0.41 -0.94 -0.31 0.00 0.00 175.10 174.75 1s6l s SER 125 N -1.85 -0.40 0.07 4.85 1.04 0.24 0.18 113.70 117.83 1s6l s SER 125 Ca 0.24 0.72 0.03 0.00 0.48 0.00 0.00 55.95 57.42 1s6l s SER 125 Cb -0.12 0.76 -0.03 0.00 0.10 0.00 0.00 66.02 66.73 1s6l s SER 125 CO 0.15 -0.20 -0.09 -0.76 0.98 0.00 0.00 173.24 173.32 1s6l s LEU 126 N -0.04 2.33 -0.28 2.42 2.01 0.36 -0.06 118.68 125.42 1s6l s LEU 126 Ca -0.02 -0.68 -0.04 0.00 0.01 0.00 0.00 54.13 53.39 1s6l s LEU 126 Cb -0.03 -0.25 0.02 0.00 0.01 0.00 0.00 46.19 45.94 1s6l s LEU 126 CO 0.01 -0.23 0.02 -0.89 1.01 0.00 0.00 176.35 176.28 1s6l s THR 127 N -1.91 3.46 -0.40 5.49 2.01 -0.71 0.12 115.64 123.71 1s6l s THR 127 Ca -0.02 -0.90 -0.17 0.00 0.31 0.00 0.00 61.69 60.91 1s6l s THR 127 Cb -0.06 -2.80 0.01 0.00 0.01 0.00 0.00 72.50 69.66 1s6l s THR 127 CO -0.00 0.09 0.45 -0.69 -0.69 0.00 0.00 174.62 173.78 1s6l s VAL 128 N 1.41 5.08 0.46 3.82 1.01 0.36 -2.10 120.40 130.44 1s6l s VAL 128 Ca 0.01 -0.14 0.08 0.00 0.00 0.00 0.00 61.98 61.92 1s6l s VAL 128 Cb -0.17 -4.00 0.01 0.00 0.00 0.00 0.00 36.38 32.22 1s6l s VAL 128 CO -0.00 -0.34 0.46 -0.44 0.00 0.00 0.00 175.10 174.78 1s6l s SER 129 N 1.80 5.04 0.57 3.32 0.01 0.16 0.13 113.70 124.74 1s6l s SER 129 Ca 0.14 -0.82 0.36 0.00 1.31 0.00 0.00 55.95 56.94 1s6l s SER 129 Cb -0.17 -0.26 1.63 0.00 0.21 0.00 0.00 66.02 67.43 1s6l s SER 129 CO 0.14 -0.85 2.08 1.55 0.41 0.00 0.00 173.24 176.56 1s6l h PRO 130 N 0.81 0.00 0.00 12.44 0.13 -1.78 -3.23 132.00 140.37 1s6l h PRO 130 Ca -0.39 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.65 1s6l h PRO 130 Cb 1.28 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.39 1s6l h PRO 130 CO 0.54 0.00 -1.47 0.45 -0.23 0.00 0.00 178.00 177.29 1s6l n SER 131 N -3.06 3.14 0.00 1.44 2.88 -1.26 -4.34 113.62 112.42 1s6l n SER 131 Ca -0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1s6l n SER 131 Cb 0.24 0.91 0.00 0.00 -0.75 0.00 0.00 64.21 64.61 1s6l n SER 131 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 1s6l n GLU 132 N -2.11 -0.11 -3.08 -1.46 0.28 -1.22 -5.16 120.64 107.77 1s6l n GLU 132 Ca -0.09 0.00 -0.25 0.00 -0.16 0.00 0.00 57.16 56.66 1s6l n GLU 132 Cb 0.57 0.00 -0.01 0.00 1.43 0.00 0.00 31.44 33.43 1s6l n GLU 132 CO 0.00 0.00 0.00 0.96 -0.16 0.00 0.00 177.13 177.93 1s6l s ILE 133 N -3.00 4.91 0.00 3.84 -4.36 -1.26 0.40 121.20 121.74 1s6l s ILE 133 Ca 0.00 -0.24 0.00 0.00 -0.26 0.00 0.00 60.65 60.15 1s6l s ILE 133 Cb 0.00 -3.82 0.00 0.00 1.25 0.00 0.00 42.46 39.89 1s6l s ILE 133 CO 0.00 -0.63 0.64 1.67 0.24 0.00 0.00 174.94 176.86 1s6l n GLN 134 N -1.98 0.00 -2.78 0.37 -0.06 -0.89 -4.88 117.38 107.14 1s6l n GLN 134 Ca -0.02 -0.44 -0.01 0.00 -2.00 0.00 0.00 57.00 54.53 1s6l n GLN 134 Cb 0.56 -0.25 0.01 0.00 -4.06 0.00 0.00 30.24 26.51 1s6l n GLN 134 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1s6l s ALA 135 N 0.00 -3.93 -0.26 1.69 0.00 -1.26 -4.88 121.76 113.12 1s6l s ALA 135 Ca 0.00 0.69 -0.11 0.00 0.00 0.00 0.00 51.96 52.54 1s6l s ALA 135 Cb 0.00 -2.94 -0.05 0.00 0.00 0.00 0.00 23.12 20.14 1s6l s ALA 135 CO 0.00 -2.44 0.19 0.08 0.00 0.00 0.00 175.76 173.59 1s6l s VAL 136 N 1.46 5.33 -0.13 0.00 1.01 -1.26 -1.74 120.40 125.07 1s6l s VAL 136 Ca 0.20 0.21 -0.04 0.00 0.00 0.00 0.00 61.98 62.35 1s6l s VAL 136 Cb 0.05 -3.53 0.06 0.00 0.00 0.00 0.00 36.38 32.97 1s6l s VAL 136 CO -0.11 0.30 0.24 -0.70 0.00 0.00 0.00 175.10 174.82 1s6l s GLU 137 N 1.38 0.13 0.73 2.72 2.12 0.91 -3.44 118.70 123.25 1s6l s GLU 137 Ca 0.08 0.65 -0.11 0.00 0.36 0.00 0.00 54.97 55.95 1s6l s GLU 137 Cb -0.15 -0.21 0.03 0.00 0.26 0.00 0.00 34.13 34.06 1s6l s GLU 137 CO 0.07 -0.33 1.08 -1.25 -0.54 0.00 0.00 175.26 174.29 1s6l s PRO 138 N 2.39 2.63 -1.20 4.30 0.04 -1.26 0.81 135.00 142.71 1s6l s PRO 138 Ca 0.02 1.08 -0.20 0.00 0.04 0.00 0.00 61.00 61.94 1s6l s PRO 138 Cb -0.12 -1.95 -0.03 0.00 0.04 0.00 0.00 34.50 32.44 1s6l s PRO 138 CO -0.08 -1.34 1.89 0.00 0.04 0.00 0.00 177.00 177.50 1s6l n ALA 139 N -3.25 2.91 0.00 8.56 0.00 -1.22 -2.64 120.51 124.87 1s6l n ALA 139 Ca 0.08 -3.42 0.00 0.00 0.00 0.00 0.00 53.44 50.11 1s6l n ALA 139 Cb 0.53 -3.55 0.00 0.00 0.00 0.00 0.00 19.45 16.43 1s6l n ALA 139 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1s6l n GLY 140 N 5.36 -0.11 3.69 0.00 0.00 -1.26 -5.16 105.19 107.71 1s6l n GLY 140 Ca 0.47 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.20 1s6l n GLY 140 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1s6l s MET 141 N 0.00 1.04 0.13 1.61 0.00 -1.08 -4.30 119.30 116.69 1s6l s MET 141 Ca 0.00 0.95 0.08 0.00 0.00 0.00 0.00 55.69 56.73 1s6l s MET 141 Cb 0.00 -1.77 -0.04 0.00 0.00 0.00 0.00 34.83 33.02 1s6l s MET 141 CO 0.00 -2.43 -0.20 0.00 0.00 0.00 0.00 175.02 172.39 1s6l s ALA 142 N -2.83 1.90 0.11 3.16 0.00 0.39 -3.91 121.76 120.57 1s6l s ALA 142 Ca 0.64 -1.35 0.07 0.00 0.00 0.00 0.00 51.96 51.33 1s6l s ALA 142 Cb -0.19 -0.22 -0.04 0.00 0.00 0.00 0.00 23.12 22.66 1s6l s ALA 142 CO 0.58 0.31 -0.10 0.08 0.00 0.00 0.00 175.76 176.63 1s6l s VAL 143 N -1.53 3.35 -0.03 0.00 1.01 0.49 0.19 120.40 123.89 1s6l s VAL 143 Ca 0.10 -1.31 0.07 0.00 0.00 0.00 0.00 61.98 60.84 1s6l s VAL 143 Cb -0.08 -2.58 -0.02 0.00 0.00 0.00 0.00 36.38 33.70 1s6l s VAL 143 CO 0.05 0.09 -0.23 -0.94 0.00 0.00 0.00 175.10 174.07 1s6l s SER 144 N -2.28 3.34 0.32 3.32 1.04 0.32 0.48 113.70 120.24 1s6l s SER 144 Ca 0.22 -0.39 -0.05 0.00 0.48 0.00 0.00 55.95 56.20 1s6l s SER 144 Cb -0.11 -0.49 0.00 0.00 0.10 0.00 0.00 66.02 65.53 1s6l s SER 144 CO 0.14 0.32 0.48 -1.48 0.98 0.00 0.00 173.24 173.69 1s6l s LEU 145 N -0.67 0.82 -0.26 2.42 0.05 0.40 -2.49 118.68 118.94 1s6l s LEU 145 Ca 0.11 -1.35 0.00 0.00 0.05 0.00 0.00 54.13 52.93 1s6l s LEU 145 Cb -0.10 1.57 0.04 0.00 -2.05 0.00 0.00 46.19 45.65 1s6l s LEU 145 CO -0.00 -1.28 -0.08 0.54 -0.55 0.00 0.00 176.35 174.98 1s6l s VAL 146 N -3.23 2.60 0.06 1.48 0.11 -1.26 -0.89 120.40 119.26 1s6l s VAL 146 Ca 0.28 -1.30 -0.31 0.00 -2.93 0.00 0.00 61.98 57.73 1s6l s VAL 146 Cb -0.00 -2.41 -0.16 0.00 -1.53 0.00 0.00 36.38 32.28 1s6l s VAL 146 CO 0.17 0.09 1.47 -0.07 -3.33 0.00 0.00 175.10 173.43 1s6l h LEU 147 N 7.93 -1.03 -9.99 2.54 3.38 -1.92 -3.43 115.31 112.79 1s6l h LEU 147 Ca -0.27 0.06 -0.50 0.00 0.09 0.00 0.00 57.88 57.25 1s6l h LEU 147 Cb 1.08 0.30 0.06 0.00 0.09 0.00 0.00 40.66 42.18 1s6l h LEU 147 CO 0.53 -0.64 0.48 -2.16 0.09 0.00 0.00 178.44 176.75 1s6l s PRO 148 N -5.43 3.86 -0.16 1.13 0.04 -1.26 -5.05 135.00 128.14 1s6l s PRO 148 Ca -0.16 1.76 -0.04 0.00 0.04 0.00 0.00 61.00 62.61 1s6l s PRO 148 Cb 0.02 -2.48 0.08 0.00 0.04 0.00 0.00 34.50 32.16 1s6l s PRO 148 CO 0.50 -0.46 0.22 1.14 0.04 0.00 0.00 177.00 178.43 1s6l s GLN 149 N -2.59 0.15 -0.05 4.56 -2.07 -1.26 -5.00 119.66 113.38 1s6l s GLN 149 Ca 0.62 0.44 0.21 0.00 -1.82 0.00 0.00 55.36 54.81 1s6l s GLN 149 Cb -0.28 -0.65 -0.32 0.00 -1.09 0.00 0.00 33.01 30.66 1s6l s GLN 149 CO 0.35 -0.47 0.42 -1.91 -1.32 0.00 0.00 175.29 172.35 1s6l n GLU 150 N 5.33 0.66 -3.40 9.60 4.07 -1.26 -4.69 120.64 130.95 1s6l n GLU 150 Ca -0.05 -0.17 -0.26 0.00 -0.06 0.00 0.00 57.16 56.61 1s6l n GLU 150 Cb 0.50 -1.51 -0.09 0.00 -0.06 0.00 0.00 31.44 30.28 1s6l n GLU 150 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1s6l n ALA 151 N -2.30 3.03 0.03 4.31 0.00 -1.26 -4.90 120.51 119.41 1s6l n ALA 151 Ca -0.07 -3.75 0.00 0.00 0.00 0.00 0.00 53.44 49.61 1s6l n ALA 151 Cb 0.63 -0.84 0.00 0.00 0.00 0.00 0.00 19.45 19.24 1s6l n ALA 151 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1s6l n ALA 152 N 1.81 0.97 0.00 0.00 0.00 -1.26 -3.69 120.51 118.33 1s6l n ALA 152 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.69 1s6l n ALA 152 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.91 1s6l n ALA 152 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1s6l n ASP 153 N -2.64 0.00 0.00 0.00 2.03 -1.26 -1.93 116.55 112.75 1s6l n ASP 153 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1s6l n ASP 153 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 1s6l n ASP 153 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 1s6l n VAL 154 N 0.00 0.00 -2.71 5.18 0.24 -1.26 -5.01 118.33 114.78 1s6l n VAL 154 Ca 0.00 0.00 -0.07 0.00 -2.04 0.00 0.00 64.34 62.23 1s6l n VAL 154 Cb 0.00 -0.31 0.11 0.00 -1.47 0.00 0.00 33.84 32.17 1s6l n VAL 154 CO 0.00 0.00 0.00 -1.14 -2.14 0.00 0.00 176.83 173.55 1s6l n ARG 155 N -2.21 1.11 -0.05 7.34 0.63 -1.10 -4.97 116.66 117.41 1s6l n ARG 155 Ca 0.00 -1.80 -0.14 0.00 -0.92 0.00 0.00 57.85 54.98 1s6l n ARG 155 Cb 0.00 -0.30 -0.14 0.00 0.45 0.00 0.00 32.46 32.47 1s6l n ARG 155 CO 0.00 0.00 0.00 1.04 -2.51 0.00 0.00 177.63 176.16 1s6l n GLN 156 N -0.33 0.68 -0.62 -0.14 6.02 -0.81 -4.96 117.38 117.22 1s6l n GLN 156 Ca -0.01 0.19 -0.13 0.00 -0.01 0.00 0.00 57.00 57.03 1s6l n GLN 156 Cb 0.80 -1.66 0.11 0.00 1.02 0.00 0.00 30.24 30.51 1s6l n GLN 156 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1s6l n SER 157 N -3.14 -0.92 0.00 1.08 2.88 -1.24 -4.92 113.62 107.35 1s6l n SER 157 Ca -0.30 -0.95 0.00 0.00 -1.33 0.00 0.00 58.87 56.28 1s6l n SER 157 Cb 1.06 -0.46 0.00 0.00 -0.75 0.00 0.00 64.21 64.07 1s6l n SER 157 CO 0.00 0.00 0.00 2.22 -1.23 0.00 0.00 175.04 176.03 1s6l n PHE 158 N -3.29 -0.20 0.01 0.66 -1.74 -1.26 -4.93 117.46 106.70 1s6l n PHE 158 Ca 0.07 0.02 -0.19 0.00 -0.56 0.00 0.00 57.45 56.79 1s6l n PHE 158 Cb 0.26 0.51 -0.14 0.00 1.52 0.00 0.00 39.48 41.63 1s6l n PHE 158 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 1s6l n HIS 161 N -2.00 -1.83 -3.62 0.00 8.25 -1.26 -4.61 115.22 110.15 1s6l n HIS 161 Ca 0.00 0.81 -0.40 0.00 -0.26 0.00 0.00 57.72 57.87 1s6l n HIS 161 Cb 0.00 -3.35 -0.11 0.00 1.12 0.00 0.00 29.99 27.65 1s6l n HIS 161 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1s6l s VAL 162 N -3.46 4.49 0.39 1.59 1.01 -1.26 -3.76 120.40 119.42 1s6l s VAL 162 Ca 0.54 -0.85 0.07 0.00 0.00 0.00 0.00 61.98 61.74 1s6l s VAL 162 Cb -0.29 -3.50 -0.08 0.00 0.00 0.00 0.00 36.38 32.52 1s6l s VAL 162 CO 0.90 -0.21 0.00 -1.00 0.00 0.00 0.00 175.10 174.80 1s6l s HIS 163 N 1.54 2.45 0.15 5.22 3.76 -1.04 -1.02 115.29 126.35 1s6l s HIS 163 Ca 0.02 -0.68 0.09 0.00 -0.15 0.00 0.00 55.06 54.34 1s6l s HIS 163 Cb -0.19 -1.69 -0.04 0.00 1.11 0.00 0.00 32.58 31.77 1s6l s HIS 163 CO 0.06 0.42 -0.13 -0.06 -0.85 0.00 0.00 174.74 174.18 1s6l s PHE 164 N -2.76 2.60 -0.01 1.40 0.08 -1.26 0.12 117.98 118.14 1s6l s PHE 164 Ca 0.35 -0.23 0.02 0.00 0.12 0.00 0.00 56.93 57.19 1s6l s PHE 164 Cb 0.09 -1.31 -0.00 0.00 -0.57 0.00 0.00 43.02 41.23 1s6l s PHE 164 CO 0.18 0.47 -0.07 -0.06 -0.10 0.00 0.00 175.22 175.63 1s6l s PHE 165 N -1.49 0.71 0.58 0.36 0.40 0.50 -1.31 117.98 117.71 1s6l s PHE 165 Ca 0.22 -0.15 0.37 0.00 -0.60 0.00 0.00 56.93 56.77 1s6l s PHE 165 Cb -0.09 -0.49 1.41 0.00 0.51 0.00 0.00 43.02 44.35 1s6l s PHE 165 CO 0.13 -0.05 1.59 0.00 0.70 0.00 0.00 175.22 177.60 1s6l h ALA 166 N 6.21 3.17 -2.47 5.36 0.00 -1.93 1.12 119.26 130.72 1s6l h ALA 166 Ca -0.31 -0.04 0.15 0.00 0.00 0.00 0.00 54.91 54.70 1s6l h ALA 166 Cb 1.18 0.10 -0.06 0.00 0.00 0.00 0.00 17.79 19.00 1s6l h ALA 166 CO 0.49 -1.75 0.47 -1.12 0.00 0.00 0.00 179.25 177.35 1s6l s SER 167 N -4.25 -0.13 0.26 0.00 0.01 -1.26 -3.58 113.70 104.74 1s6l s SER 167 Ca -0.04 -0.53 0.02 0.00 1.31 0.00 0.00 55.95 56.72 1s6l s SER 167 Cb 0.20 0.53 0.32 0.00 0.21 0.00 0.00 66.02 67.29 1s6l s SER 167 CO 0.69 -1.01 1.64 0.58 0.41 0.00 0.00 173.24 175.55 1s6l h VAL 168 N 2.00 1.31 -0.12 3.43 2.07 -1.84 1.08 116.25 124.18 1s6l h VAL 168 Ca -0.25 -1.57 -0.20 0.00 0.82 0.00 0.00 66.70 65.50 1s6l h VAL 168 Cb 1.23 1.64 0.00 0.00 -1.52 0.00 0.00 31.29 32.64 1s6l h VAL 168 CO 0.28 0.48 -0.74 -0.65 0.02 0.00 0.00 177.57 176.96 1s6l h PRO 169 N 0.33 0.60 0.04 1.57 0.11 -1.95 0.81 132.00 133.51 1s6l h PRO 169 Ca 0.03 -0.48 -0.28 0.00 0.11 0.00 0.00 66.00 65.38 1s6l h PRO 169 Cb 0.87 0.10 0.02 0.00 0.11 0.00 0.00 31.00 32.11 1s6l h PRO 169 CO 0.07 1.11 -1.12 1.15 -0.21 0.00 0.00 178.00 179.00 1s6l h THR 170 N 0.41 1.28 -0.39 -1.15 2.02 -1.93 5.12 112.91 118.27 1s6l h THR 170 Ca -0.04 -2.32 -0.01 0.00 0.77 0.00 0.00 66.41 64.82 1s6l h THR 170 Cb 1.34 2.49 -0.02 0.00 -1.74 0.00 0.00 68.15 70.22 1s6l h THR 170 CO 0.14 0.71 0.23 0.00 0.37 0.00 0.00 175.52 176.97 1s6l h ALA 171 N 0.36 0.50 0.00 6.16 0.00 0.13 1.17 119.26 127.58 1s6l h ALA 171 Ca -0.15 -0.07 -0.15 0.00 0.00 0.00 0.00 54.91 54.54 1s6l h ALA 171 Cb 1.78 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 19.39 1s6l h ALA 171 CO 0.22 0.02 -0.70 0.93 0.00 0.00 0.00 179.25 179.71 1s6l h GLU 172 N 0.51 0.00 0.27 0.00 5.08 0.73 0.44 114.58 121.61 1s6l h GLU 172 Ca 0.14 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.49 1s6l h GLU 172 Cb 0.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.29 1s6l h GLU 172 CO -0.02 0.70 -0.13 0.22 -1.00 0.00 0.00 179.01 178.78 1s6l h ASP 173 N 0.00 -0.31 0.26 1.42 3.58 1.11 -0.28 116.42 122.21 1s6l h ASP 173 Ca -0.01 -0.21 -0.04 0.00 0.42 0.00 0.00 57.03 57.19 1s6l h ASP 173 Cb 1.48 0.08 -0.01 0.00 1.72 0.00 0.00 39.33 42.60 1s6l h ASP 173 CO 0.09 0.17 -0.20 -0.25 -2.88 0.00 0.00 179.24 176.17 1s6l h TRP 174 N -0.92 0.00 -0.57 0.28 2.91 0.13 -1.65 115.95 116.13 1s6l h TRP 174 Ca -0.04 0.00 -0.08 0.00 1.13 0.00 0.00 58.89 59.90 1s6l h TRP 174 Cb 0.50 0.00 -0.02 0.00 -0.51 0.00 0.00 29.16 29.13 1s6l h TRP 174 CO 0.05 0.20 0.04 0.00 -1.03 0.00 0.00 178.44 177.69 1s6l h ALA 175 N 1.80 0.99 -0.62 2.65 0.00 -0.80 -2.08 119.26 121.21 1s6l h ALA 175 Ca -0.00 -0.28 0.11 0.00 0.00 0.00 0.00 54.91 54.74 1s6l h ALA 175 Cb 0.38 -0.22 -0.08 0.00 0.00 0.00 0.00 17.79 17.87 1s6l h ALA 175 CO 0.03 0.63 0.16 1.03 0.00 0.00 0.00 179.25 181.09 1s6l h SER 176 N 0.89 0.06 -0.67 0.00 0.87 -0.03 0.22 113.55 114.89 1s6l h SER 176 Ca 0.17 0.11 -0.20 0.00 -1.23 0.00 0.00 61.79 60.64 1s6l h SER 176 Cb 0.47 0.13 -0.12 0.00 -0.44 0.00 0.00 62.40 62.45 1s6l h SER 176 CO 0.02 0.04 0.25 0.29 -0.53 0.00 0.00 176.83 176.90 1s6l n LYS 177 N -5.10 3.43 -2.70 2.24 4.76 -1.09 -4.21 118.16 115.50 1s6l n LYS 177 Ca 0.09 -2.73 -0.05 0.00 -2.87 0.00 0.00 58.31 52.76 1s6l n LYS 177 Cb 0.32 -2.12 0.11 0.00 -1.84 0.00 0.00 35.03 31.50 1s6l n LYS 177 CO 0.00 0.00 0.00 1.58 -1.37 0.00 0.00 177.40 177.61 1s6l n HIS 178 N -0.10 -1.73 -3.11 2.13 -0.00 0.61 -5.06 115.22 107.96 1s6l n HIS 178 Ca 0.37 -1.95 -0.40 0.00 0.46 0.00 0.00 57.72 56.20 1s6l n HIS 178 Cb 1.29 1.28 -0.05 0.00 -0.12 0.00 0.00 29.99 32.38 1s6l n HIS 178 CO 0.00 0.00 0.00 -0.65 0.46 0.00 0.00 176.34 176.15 1s6l s GLN 179 N -0.42 4.28 0.00 1.57 -0.21 -0.23 -3.71 119.66 120.93 1s6l s GLN 179 Ca 0.18 0.68 0.00 0.00 0.02 0.00 0.00 55.36 56.25 1s6l s GLN 179 Cb 0.42 -3.54 0.00 0.00 1.00 0.00 0.00 33.01 30.89 1s6l s GLN 179 CO -0.09 -0.15 0.00 0.41 -2.12 0.00 0.00 175.29 173.34 1s6l n GLY 180 N 3.58 3.28 3.49 3.09 0.00 -1.26 -4.97 105.19 112.40 1s6l n GLY 180 Ca -0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.57 1s6l n GLY 180 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1s6l s LEU 181 N 0.00 4.64 -0.77 0.99 1.43 -1.24 -4.47 118.68 119.26 1s6l s LEU 181 Ca 0.00 -2.16 -0.01 0.00 -1.03 0.00 0.00 54.13 50.93 1s6l s LEU 181 Cb 0.00 -2.45 -0.00 0.00 0.03 0.00 0.00 46.19 43.77 1s6l s LEU 181 CO 0.00 -1.09 0.70 -0.62 0.23 0.00 0.00 176.35 175.57 1s6l n GLU 182 N 6.98 -1.39 0.00 1.70 1.02 -1.26 -4.84 120.64 122.84 1s6l n GLU 182 Ca 0.31 1.37 0.00 0.00 -0.02 0.00 0.00 57.16 58.81 1s6l n GLU 182 Cb 0.48 -5.35 0.00 0.00 -0.02 0.00 0.00 31.44 26.55 1s6l n GLU 182 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1s6l n GLY 183 N -1.73 0.91 0.43 0.62 0.00 -1.25 -4.75 105.19 99.42 1s6l n GLY 183 Ca -0.04 -0.70 0.12 0.00 0.00 0.00 0.00 46.02 45.40 1s6l n GLY 183 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1s6l n LEU 184 N 0.00 1.62 -4.07 0.99 -0.00 -0.77 -4.17 117.00 110.60 1s6l n LEU 184 Ca 0.00 -0.54 -0.20 0.00 -0.00 0.00 0.00 56.01 55.27 1s6l n LEU 184 Cb 0.00 -0.05 -0.15 0.00 -0.00 0.00 0.00 43.42 43.22 1s6l n LEU 184 CO 0.00 0.29 -0.45 0.00 -0.00 0.00 0.00 177.39 177.23 1s6l s ALA 185 N -2.39 0.95 0.26 1.47 0.00 -0.07 -4.72 121.76 117.26 1s6l s ALA 185 Ca 0.24 -0.54 0.07 0.00 0.00 0.00 0.00 51.96 51.72 1s6l s ALA 185 Cb 0.19 -0.22 -0.03 0.00 0.00 0.00 0.00 23.12 23.06 1s6l s ALA 185 CO 0.50 0.22 0.26 0.42 0.00 0.00 0.00 175.76 177.15 1s6l s ILE 186 N -0.39 4.47 0.18 0.00 -1.09 -1.26 -0.45 121.20 122.65 1s6l s ILE 186 Ca 0.03 -1.30 -0.23 0.00 -2.23 0.00 0.00 60.65 56.93 1s6l s ILE 186 Cb -0.05 -3.46 0.06 0.00 -1.58 0.00 0.00 42.46 37.43 1s6l s ILE 186 CO -0.00 -0.31 0.66 0.68 -1.23 0.00 0.00 174.94 174.73 1s6l s VAL 187 N -2.13 0.00 -0.06 2.92 -7.23 0.18 -4.92 120.40 109.16 1s6l s VAL 187 Ca 0.35 -0.25 -0.17 0.00 -1.81 0.00 0.00 61.98 60.09 1s6l s VAL 187 Cb -0.08 -1.26 -0.05 0.00 0.56 0.00 0.00 36.38 35.55 1s6l s VAL 187 CO 0.26 0.00 0.46 -0.44 -0.31 0.00 0.00 175.10 175.07 1s6l s SER 188 N -2.78 6.75 0.66 4.85 0.01 -1.26 0.19 113.70 122.12 1s6l s SER 188 Ca 0.04 0.90 0.14 0.00 1.31 0.00 0.00 55.95 58.33 1s6l s SER 188 Cb -0.02 -2.28 0.74 0.00 0.21 0.00 0.00 66.02 64.67 1s6l s SER 188 CO -0.08 0.13 1.41 -0.37 0.41 0.00 0.00 173.24 174.75 1s6l h VAL 189 N 4.30 0.01 -0.16 3.43 -1.51 -1.90 1.06 116.25 121.48 1s6l h VAL 189 Ca -0.45 0.00 -0.09 0.00 -1.23 0.00 0.00 66.70 64.93 1s6l h VAL 189 Cb 1.19 0.29 -0.00 0.00 -2.13 0.00 0.00 31.29 30.65 1s6l h VAL 189 CO 0.70 0.00 -0.24 0.45 -1.23 0.00 0.00 177.57 177.25 1s6l h HIS 190 N 0.00 0.54 0.00 5.19 3.86 -1.91 -2.06 115.15 120.77 1s6l h HIS 190 Ca 0.02 -0.18 -0.02 0.00 -1.16 0.00 0.00 60.37 59.03 1s6l h HIS 190 Cb 1.45 -0.11 -0.00 0.00 1.06 0.00 0.00 27.41 29.81 1s6l h HIS 190 CO 0.00 0.86 -0.32 0.93 0.86 0.00 0.00 177.93 180.26 1s6l h GLU 191 N 0.06 0.00 0.00 2.45 5.08 0.63 -3.25 114.58 119.55 1s6l h GLU 191 Ca 0.01 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.28 1s6l h GLU 191 Cb 0.81 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.04 1s6l h GLU 191 CO 0.05 0.08 -0.45 0.00 -1.00 0.00 0.00 179.01 177.70 1s6l h ALA 192 N 1.91 0.80 0.00 3.43 0.00 -0.66 -2.46 119.26 122.28 1s6l h ALA 192 Ca -0.01 -0.41 -0.11 0.00 0.00 0.00 0.00 54.91 54.39 1s6l h ALA 192 Cb 1.07 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 1s6l h ALA 192 CO 0.01 0.56 -0.61 0.35 0.00 0.00 0.00 179.25 179.56 1s6l h PHE 193 N 0.00 0.00 0.00 0.00 3.57 -1.40 -1.49 116.94 117.61 1s6l h PHE 193 Ca -0.00 0.00 -0.22 0.00 3.53 0.00 0.00 57.97 61.28 1s6l h PHE 193 Cb 1.18 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.89 1s6l h PHE 193 CO 0.00 0.49 -1.13 0.78 -2.23 0.00 0.00 178.31 176.22 1s6l h GLY 194 N 3.55 0.00 1.77 2.40 0.00 -1.58 0.30 103.07 109.50 1s6l h GLY 194 Ca -0.02 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 47.11 1s6l h GLY 194 CO 0.06 0.00 -1.02 1.41 0.00 0.00 0.00 176.54 176.99 1s6l h LEU 195 N 0.00 0.00 0.00 3.11 4.07 -1.48 -1.77 115.31 119.24 1s6l h LEU 195 Ca -0.08 0.00 -0.21 0.00 0.08 0.00 0.00 57.88 57.67 1s6l h LEU 195 Cb 1.78 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 43.48 1s6l h LEU 195 CO 0.11 0.84 -1.21 1.23 -1.08 0.00 0.00 178.44 178.33 1s6l h GLY 196 N 3.25 0.00 1.92 0.83 0.00 -1.28 -3.29 103.07 104.49 1s6l h GLY 196 Ca -0.06 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.23 1s6l h GLY 196 CO 0.10 0.00 -0.27 -1.61 0.00 0.00 0.00 176.54 174.76 1s6l h GLN 197 N 0.00 0.00 0.00 4.80 4.15 -0.42 -3.21 115.11 120.43 1s6l h GLN 197 Ca -0.12 0.00 -0.05 0.00 0.77 0.00 0.00 58.65 59.25 1s6l h GLN 197 Cb 1.74 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 29.43 1s6l h GLN 197 CO 0.09 0.19 -0.23 1.49 -1.93 0.00 0.00 178.83 178.43 1s6l h GLU 198 N 0.00 0.00 -0.96 1.69 4.81 -1.39 -3.23 114.58 115.50 1s6l h GLU 198 Ca -0.01 0.00 0.18 0.00 -0.13 0.00 0.00 59.36 59.41 1s6l h GLU 198 Cb 1.15 0.00 -0.09 0.00 0.63 0.00 0.00 28.75 30.45 1s6l h GLU 198 CO 0.02 0.23 0.61 0.35 -0.73 0.00 0.00 179.01 179.49 1s6l h PHE 199 N 0.00 0.86 0.00 0.92 3.04 -1.63 0.41 116.94 120.54 1s6l h PHE 199 Ca -0.00 0.03 -0.05 0.00 3.98 0.00 0.00 57.97 61.93 1s6l h PHE 199 Cb 0.97 -0.26 -0.01 0.00 2.56 0.00 0.00 35.95 39.20 1s6l h PHE 199 CO 0.00 0.23 -0.23 -0.91 -2.02 0.00 0.00 178.31 175.38 1s6l h ASN 200 N 0.65 0.00 -0.40 0.41 2.35 -1.78 -2.39 115.58 114.43 1s6l h ASN 200 Ca 0.52 0.00 0.03 0.00 -0.55 0.00 0.00 56.30 56.30 1s6l h ASN 200 Cb 0.95 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 39.28 1s6l h ASN 200 CO -0.28 0.23 0.20 -0.09 -1.65 0.00 0.00 177.43 175.85 1s6l h ARG 201 N 0.00 0.40 0.14 0.81 9.65 -0.35 -0.22 114.38 124.81 1s6l h ARG 201 Ca -0.00 -0.02 -0.28 0.00 -1.10 0.00 0.00 59.98 58.58 1s6l h ARG 201 Cb 0.66 -0.09 0.01 0.00 -1.39 0.00 0.00 29.97 29.16 1s6l h ARG 201 CO 0.03 0.27 -1.26 1.25 2.80 0.00 0.00 179.97 183.06 1s6l h HIS 202 N 0.41 0.52 -0.11 2.20 2.76 -1.54 -3.27 115.15 116.13 1s6l h HIS 202 Ca 0.17 -0.38 -0.01 0.00 -2.20 0.00 0.00 60.37 57.94 1s6l h HIS 202 Cb 0.07 -0.02 -0.01 0.00 1.55 0.00 0.00 27.41 29.00 1s6l h HIS 202 CO -0.10 1.30 0.01 1.25 -1.30 0.00 0.00 177.93 179.09 1s6l h LEU 203 N 0.08 0.14 -1.09 0.26 5.85 -1.17 -2.11 115.31 117.26 1s6l h LEU 203 Ca -0.14 -0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.59 1s6l h LEU 203 Cb 1.98 -0.03 -0.05 0.00 0.37 0.00 0.00 40.66 42.93 1s6l h LEU 203 CO 0.21 0.16 0.62 0.25 -0.34 0.00 0.00 178.44 179.34 1s6l h LEU 204 N 0.15 1.05 -1.79 2.25 5.85 -1.08 -3.49 115.31 118.25 1s6l h LEU 204 Ca 0.04 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.74 1s6l h LEU 204 Cb 0.10 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.86 1s6l h LEU 204 CO 0.00 0.74 -1.10 1.67 -0.34 0.00 0.00 178.44 179.41 1s6l n GLN 205 N -4.42 -5.18 -3.32 1.25 7.27 -0.80 -5.02 117.38 107.17 1s6l n GLN 205 Ca 0.12 3.77 -0.25 0.00 0.07 0.00 0.00 57.00 60.71 1s6l n GLN 205 Cb 0.06 -4.84 -0.09 0.00 2.41 0.00 0.00 30.24 27.78 1s6l n GLN 205 CO 0.00 0.00 0.00 0.25 0.07 0.00 0.00 177.06 177.38 1s6l n THR 206 N 1.83 -1.09 -0.10 1.69 -2.24 -1.26 -4.98 114.28 108.14 1s6l n THR 206 Ca -0.07 -3.29 -0.11 0.00 -2.27 0.00 0.00 64.05 58.31 1s6l n THR 206 Cb 0.11 -1.47 -0.04 0.00 -2.10 0.00 0.00 70.33 66.83 1s6l n THR 206 CO 0.00 0.00 0.00 0.80 -0.57 0.00 0.00 175.07 175.30 1s6l n MET 207 N 2.72 0.53 -2.17 -0.78 0.00 -1.26 -5.11 117.12 111.05 1s6l n MET 207 Ca 0.28 0.24 -0.04 0.00 0.00 0.00 0.00 57.70 58.19 1s6l n MET 207 Cb 0.49 -1.46 0.01 0.00 0.00 0.00 0.00 33.22 32.26 1s6l n MET 207 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 175.97 174.84 1s6l n SER 208 N -4.44 -0.92 -2.45 6.12 3.41 -1.26 -5.11 113.62 108.98 1s6l n SER 208 Ca -0.19 -1.66 -0.03 0.00 -0.26 0.00 0.00 58.87 56.73 1s6l n SER 208 Cb 0.55 1.53 -0.02 0.00 -0.26 0.00 0.00 64.21 66.01 1s6l n SER 208 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1s6l n SER 209 N -1.27 -5.04 -1.20 4.04 7.64 -1.26 -4.98 113.62 111.56 1s6l n SER 209 Ca -0.03 1.59 0.02 0.00 1.01 0.00 0.00 58.87 61.46 1s6l n SER 209 Cb 0.24 -5.18 0.11 0.00 -1.01 0.00 0.00 64.21 58.37 1s6l n SER 209 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1s6l n ARG 210 N 1.75 1.18 0.00 1.43 3.00 -1.26 -4.90 116.66 117.86 1s6l n ARG 210 Ca -0.21 -2.91 0.00 0.00 -0.01 0.00 0.00 57.85 54.73 1s6l n ARG 210 Cb 0.32 -1.07 0.00 0.00 0.00 0.00 0.00 32.46 31.71 1s6l n ARG 210 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.63 180.04 1s6l n THR 211 N -0.45 0.00 0.00 0.55 -1.04 -1.26 -5.25 114.28 106.83 1s6l n THR 211 Ca 0.15 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.16 1s6l n THR 211 Cb 0.89 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.40 1s6l n THR 211 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78