#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s6l s ASP 22 N 0.00 3.47 -0.14 0.00 2.15 -1.26 -4.91 116.67 115.99 1s6l s ASP 22 Ca 0.00 -2.77 0.09 0.00 0.43 0.00 0.00 52.55 50.30 1s6l s ASP 22 Cb 0.00 -0.99 -0.15 0.00 -0.30 0.00 0.00 42.92 41.48 1s6l s ASP 22 CO 0.00 -0.24 0.00 0.18 -0.17 0.00 0.00 175.17 174.94 1s6l n LEU 23 N 3.34 0.68 -4.90 -1.34 4.77 -1.26 -5.03 117.00 113.25 1s6l n LEU 23 Ca 0.12 -0.02 -0.25 0.00 -0.03 0.00 0.00 56.01 55.83 1s6l n LEU 23 Cb 0.36 0.12 -0.01 0.00 -2.33 0.00 0.00 43.42 41.56 1s6l n LEU 23 CO 0.22 0.43 0.06 -0.76 -1.33 0.00 0.00 177.39 176.01 1s6l s LEU 24 N -5.20 2.80 -0.75 2.23 1.02 -1.26 -5.08 118.68 112.43 1s6l s LEU 24 Ca -0.10 -1.17 -0.10 0.00 0.02 0.00 0.00 54.13 52.77 1s6l s LEU 24 Cb 0.04 -1.30 0.20 0.00 0.02 0.00 0.00 46.19 45.15 1s6l s LEU 24 CO 0.51 -1.06 0.65 -0.69 0.02 0.00 0.00 176.35 175.78 1s6l s VAL 25 N -2.73 4.97 0.10 -1.59 1.01 -1.26 -4.92 120.40 115.98 1s6l s VAL 25 Ca 0.37 -2.60 -0.16 0.00 0.00 0.00 0.00 61.98 59.60 1s6l s VAL 25 Cb -0.02 -4.12 -0.07 0.00 0.00 0.00 0.00 36.38 32.17 1s6l s VAL 25 CO 0.23 -0.97 1.48 1.55 0.00 0.00 0.00 175.10 177.38 1s6l h PRO 26 N 7.57 0.65 0.03 2.72 0.13 -1.99 -2.47 132.00 138.64 1s6l h PRO 26 Ca 0.05 -0.28 0.03 0.00 -0.87 0.00 0.00 66.00 64.94 1s6l h PRO 26 Cb 1.01 -0.02 -0.05 0.00 0.13 0.00 0.00 31.00 32.07 1s6l h PRO 26 CO 0.75 0.86 -0.40 1.37 -0.23 0.00 0.00 178.00 180.34 1s6l h LEU 27 N 0.41 -1.21 -1.94 1.56 8.10 -1.98 -0.45 115.31 119.79 1s6l h LEU 27 Ca 0.07 0.15 -0.02 0.00 0.11 0.00 0.00 57.88 58.18 1s6l h LEU 27 Cb 0.66 0.47 -0.00 0.00 -0.44 0.00 0.00 40.66 41.34 1s6l h LEU 27 CO 0.04 -0.45 -0.11 -0.07 -4.11 0.00 0.00 178.44 173.74 1s6l h LEU 28 N -0.58 0.00 0.31 0.17 3.38 -1.97 0.14 115.31 116.76 1s6l h LEU 28 Ca 0.04 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 1s6l h LEU 28 Cb 0.64 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.40 1s6l h LEU 28 CO -0.29 0.11 -0.15 -0.09 0.09 0.00 0.00 178.44 178.11 1s6l h ARG 29 N 0.00 -0.40 0.00 1.13 2.43 -0.61 1.08 114.38 118.01 1s6l h ARG 29 Ca -0.00 0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.16 1s6l h ARG 29 Cb 0.25 0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 29.88 1s6l h ARG 29 CO 0.01 -0.26 -0.16 0.93 -1.51 0.00 0.00 179.97 178.99 1s6l h GLU 30 N -0.43 0.00 0.05 0.20 4.39 -1.10 -3.20 114.58 114.49 1s6l h GLU 30 Ca -0.04 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.65 1s6l h GLU 30 Cb 0.33 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.98 1s6l h GLU 30 CO 0.07 0.16 -0.03 1.25 -1.16 0.00 0.00 179.01 179.30 1s6l h LEU 31 N 0.00 -0.06 -1.37 1.33 5.85 -0.32 -3.21 115.31 117.53 1s6l h LEU 31 Ca -0.00 -0.59 0.15 0.00 0.84 0.00 0.00 57.88 58.27 1s6l h LEU 31 Cb 0.89 0.02 -0.06 0.00 0.37 0.00 0.00 40.66 41.87 1s6l h LEU 31 CO 0.02 0.63 0.56 0.00 -0.34 0.00 0.00 178.44 179.31 1s6l h ALA 32 N -0.04 1.93 0.00 1.25 0.00 0.11 0.57 119.26 123.07 1s6l h ALA 32 Ca -0.01 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1s6l h ALA 32 Cb 0.65 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1s6l h ALA 32 CO 0.01 -0.16 0.00 1.57 0.00 0.00 0.00 179.25 180.67 1s6l h LYS 33 N 0.60 0.00 -4.76 0.00 2.10 -1.63 -3.47 116.57 109.41 1s6l h LYS 33 Ca 0.43 0.00 -0.20 0.00 -2.00 0.00 0.00 60.65 58.88 1s6l h LYS 33 Cb 0.78 0.00 0.14 0.00 -0.90 0.00 0.00 32.23 32.25 1s6l h LYS 33 CO -0.18 0.00 -0.61 0.41 -2.00 0.00 0.00 179.45 177.07 1s6l n GLY 34 N -0.19 -0.47 3.44 0.07 0.00 0.20 -5.06 105.19 103.19 1s6l n GLY 34 Ca 0.00 0.23 -0.21 0.00 0.00 0.00 0.00 46.02 46.04 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 -4.33 1.58 -0.26 1.61 3.00 -1.23 -5.10 118.95 114.23 1s6l s ARG 35 Ca 0.23 -1.82 -0.29 0.00 0.00 0.00 0.00 55.73 53.86 1s6l s ARG 35 Cb -0.03 -1.12 -0.02 0.00 0.00 0.00 0.00 34.95 33.78 1s6l s ARG 35 CO 0.54 -0.00 1.53 -1.25 0.00 0.00 0.00 175.30 176.12 1s6l s PRO 36 N -3.75 3.79 -0.22 3.54 0.04 -1.26 -4.87 135.00 132.26 1s6l s PRO 36 Ca 0.31 1.50 0.00 0.00 0.04 0.00 0.00 61.00 62.84 1s6l s PRO 36 Cb 0.05 -4.00 0.06 0.00 0.04 0.00 0.00 34.50 30.65 1s6l s PRO 36 CO 0.13 -1.29 -0.04 0.08 0.04 0.00 0.00 177.00 175.91 1s6l s VAL 37 N 5.07 1.39 0.00 -0.36 1.01 -1.26 -5.10 120.40 121.14 1s6l s VAL 37 Ca 0.67 -1.10 0.00 0.00 0.00 0.00 0.00 61.98 61.55 1s6l s VAL 37 Cb -0.22 -1.67 0.00 0.00 0.00 0.00 0.00 36.38 34.49 1s6l s VAL 37 CO 0.28 -0.09 0.00 -1.54 0.00 0.00 0.00 175.10 173.75 1s6l n SER 38 N 4.73 0.00 0.09 3.32 3.41 -1.26 -3.04 113.62 120.88 1s6l n SER 38 Ca -0.12 -0.98 -0.19 0.00 -0.26 0.00 0.00 58.87 57.32 1s6l n SER 38 Cb 0.45 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.28 1s6l n SER 38 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 1s6l h ARG 39 N 0.00 0.49 0.00 4.33 3.08 -1.97 -0.20 114.38 120.12 1s6l h ARG 39 Ca 0.00 -0.67 -0.05 0.00 0.07 0.00 0.00 59.98 59.32 1s6l h ARG 39 Cb 0.00 0.23 -0.01 0.00 0.08 0.00 0.00 29.97 30.27 1s6l h ARG 39 CO 0.00 1.29 -0.26 1.79 -1.07 0.00 0.00 179.97 181.72 1s6l h THR 40 N 0.21 1.10 0.16 2.04 1.35 -1.95 1.60 112.91 117.41 1s6l h THR 40 Ca -0.16 -0.91 -0.27 0.00 -0.55 0.00 0.00 66.41 64.52 1s6l h THR 40 Cb 1.88 1.50 0.01 0.00 -1.73 0.00 0.00 68.15 69.81 1s6l h THR 40 CO 0.22 0.25 -1.32 0.74 -0.25 0.00 0.00 175.52 175.16 1s6l h THR 41 N 0.00 1.18 -0.59 6.82 2.02 -1.94 0.96 112.91 121.36 1s6l h THR 41 Ca -0.00 -2.50 -0.03 0.00 0.77 0.00 0.00 66.41 64.65 1s6l h THR 41 Cb 0.48 2.90 -0.03 0.00 -1.74 0.00 0.00 68.15 69.77 1s6l h THR 41 CO 0.03 0.75 0.26 -0.07 0.37 0.00 0.00 175.52 176.86 1s6l h LEU 42 N -0.19 0.76 -0.20 2.58 3.38 -0.69 1.90 115.31 122.84 1s6l h LEU 42 Ca -0.26 -0.08 -0.13 0.00 0.09 0.00 0.00 57.88 57.49 1s6l h LEU 42 Cb 1.85 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 42.40 1s6l h LEU 42 CO 0.14 0.67 -0.38 0.00 0.09 0.00 0.00 178.44 178.95 1s6l h ALA 43 N 1.45 0.32 -0.07 1.53 0.00 0.23 0.16 119.26 122.88 1s6l h ALA 43 Ca 0.20 -0.45 -0.11 0.00 0.00 0.00 0.00 54.91 54.55 1s6l h ALA 43 Cb 0.12 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1s6l h ALA 43 CO -0.02 0.41 -0.47 0.78 0.00 0.00 0.00 179.25 179.94 1s6l h GLY 44 N 0.31 0.19 0.63 0.00 0.00 0.20 0.24 103.07 104.63 1s6l h GLY 44 Ca 0.01 -0.19 -0.13 0.00 0.00 0.00 0.00 47.33 47.01 1s6l h GLY 44 CO 0.09 0.18 -0.55 -2.22 0.00 0.00 0.00 176.54 174.03 1s6l h ILE 45 N 0.14 1.51 0.00 2.60 2.04 0.30 -3.13 117.51 120.96 1s6l h ILE 45 Ca 0.01 -2.21 0.00 0.00 1.00 0.00 0.00 64.86 63.65 1s6l h ILE 45 Cb 0.89 2.88 0.00 0.00 -0.74 0.00 0.00 36.82 39.85 1s6l h ILE 45 CO 0.07 0.63 0.00 0.18 0.00 0.00 0.00 178.15 179.03 1s6l n LEU 46 N -4.28 0.00 -1.90 1.44 7.99 0.54 -4.84 117.00 115.95 1s6l n LEU 46 Ca -0.11 0.43 -0.20 0.00 -0.01 0.00 0.00 56.01 56.11 1s6l n LEU 46 Cb 0.67 -0.43 -0.05 0.00 -0.11 0.00 0.00 43.42 43.50 1s6l n LEU 46 CO 0.45 -0.07 -0.22 -0.67 -1.51 0.00 0.00 177.39 175.37 1s6l n ASP 47 N -1.43 -5.62 -4.55 -1.43 2.03 0.55 -4.96 116.55 101.13 1s6l n ASP 47 Ca 0.08 0.28 -0.34 0.00 0.52 0.00 0.00 54.79 55.34 1s6l n ASP 47 Cb 0.26 -4.80 -0.12 0.00 -0.72 0.00 0.00 41.12 35.74 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 -2.87 2.88 0.42 -0.67 0.23 0.44 -4.99 118.94 114.37 1s6l s TRP 48 Ca 0.00 -0.03 -0.24 0.00 -2.03 0.00 0.00 56.10 53.80 1s6l s TRP 48 Cb 0.00 -1.69 -0.11 0.00 0.03 0.00 0.00 33.47 31.69 1s6l s TRP 48 CO 0.00 0.29 0.81 -2.30 0.96 0.00 0.00 176.95 176.71 1s6l n PRO 49 N 2.27 0.98 0.23 4.98 -0.02 -1.26 -4.37 135.00 137.80 1s6l n PRO 49 Ca -0.18 0.36 0.11 0.00 -2.02 0.00 0.00 63.50 61.77 1s6l n PRO 49 Cb 0.53 -1.80 0.59 0.00 -0.02 0.00 0.00 33.50 32.80 1s6l n PRO 49 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1s6l h ALA 50 N 1.21 1.19 0.04 3.55 0.00 -1.90 -0.20 119.26 123.14 1s6l h ALA 50 Ca -0.42 0.00 -0.23 0.00 0.00 0.00 0.00 54.91 54.25 1s6l h ALA 50 Cb 1.37 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.16 1s6l h ALA 50 CO 0.55 -0.19 -1.02 1.05 0.00 0.00 0.00 179.25 179.64 1s6l h GLU 51 N 0.00 0.32 -0.45 0.00 4.11 -1.97 -0.42 114.58 116.17 1s6l h GLU 51 Ca 0.00 -0.40 -0.11 0.00 0.07 0.00 0.00 59.36 58.92 1s6l h GLU 51 Cb 0.46 0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.83 1s6l h GLU 51 CO 0.00 1.11 -0.14 0.00 0.07 0.00 0.00 179.01 180.05 1s6l h ARG 52 N 0.16 0.89 -0.15 1.06 3.08 -1.36 0.42 114.38 118.47 1s6l h ARG 52 Ca -0.09 -0.36 -0.01 0.00 0.07 0.00 0.00 59.98 59.59 1s6l h ARG 52 Cb 1.68 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 31.68 1s6l h ARG 52 CO 0.17 1.00 0.05 0.28 -1.07 0.00 0.00 179.97 180.41 1s6l h VAL 53 N 0.73 1.18 -0.16 2.04 2.07 -1.54 -2.70 116.25 117.86 1s6l h VAL 53 Ca 0.11 -0.54 0.05 0.00 0.82 0.00 0.00 66.70 67.14 1s6l h VAL 53 Cb 0.70 1.25 -0.06 0.00 -1.52 0.00 0.00 31.29 31.65 1s6l h VAL 53 CO 0.05 0.16 -0.19 0.00 0.02 0.00 0.00 177.57 177.61 1s6l h ALA 54 N 0.87 -0.12 -1.10 1.67 0.00 -0.76 -0.38 119.26 119.44 1s6l h ALA 54 Ca 0.05 0.06 0.30 0.00 0.00 0.00 0.00 54.91 55.32 1s6l h ALA 54 Cb 0.21 0.39 -0.09 0.00 0.00 0.00 0.00 17.79 18.30 1s6l h ALA 54 CO -0.00 -0.64 0.73 0.00 0.00 0.00 0.00 179.25 179.34 1s6l h ALA 55 N 0.80 2.48 -0.17 0.00 0.00 0.02 0.80 119.26 123.19 1s6l h ALA 55 Ca 0.11 0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 1s6l h ALA 55 Cb 0.39 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1s6l h ALA 55 CO -0.29 -0.90 -0.10 0.28 0.00 0.00 0.00 179.25 178.24 1s6l h VAL 56 N 0.27 1.17 -0.27 0.00 2.07 -0.74 -2.32 116.25 116.42 1s6l h VAL 56 Ca 0.61 -0.73 -0.09 0.00 0.82 0.00 0.00 66.70 67.31 1s6l h VAL 56 Cb 1.79 1.15 -0.01 0.00 -1.52 0.00 0.00 31.29 32.70 1s6l h VAL 56 CO -0.25 0.23 -0.20 -0.07 0.02 0.00 0.00 177.57 177.30 1s6l h LEU 57 N 0.26 0.49 -1.59 2.57 -0.00 0.73 0.48 115.31 118.25 1s6l h LEU 57 Ca 0.05 -0.15 0.11 0.00 -0.00 0.00 0.00 57.88 57.89 1s6l h LEU 57 Cb 0.34 -0.13 -0.04 0.00 -0.00 0.00 0.00 40.66 40.83 1s6l h LEU 57 CO 0.02 0.70 0.43 -0.08 -0.00 0.00 0.00 178.44 179.51 1s6l h GLU 58 N 0.45 0.44 0.00 1.13 4.81 -1.28 -0.54 114.58 119.59 1s6l h GLU 58 Ca 0.07 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 1s6l h GLU 58 Cb 0.60 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.88 1s6l h GLU 58 CO 0.04 0.29 -1.49 1.04 -0.73 0.00 0.00 179.01 178.16 1s6l n GLN 59 N -4.47 0.53 -1.12 1.92 3.00 -0.99 -4.20 117.38 112.05 1s6l n GLN 59 Ca 0.11 -0.06 -0.25 0.00 -0.01 0.00 0.00 57.00 56.78 1s6l n GLN 59 Cb 0.39 -1.62 0.10 0.00 0.00 0.00 0.00 30.24 29.11 1s6l n GLN 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1s6l n ALA 60 N -2.11 5.60 0.28 -1.58 0.00 0.12 -4.56 120.51 118.26 1s6l n ALA 60 Ca -0.01 -2.69 0.18 0.00 0.00 0.00 0.00 53.44 50.91 1s6l n ALA 60 Cb 0.52 -1.54 0.94 0.00 0.00 0.00 0.00 19.45 19.38 1s6l n ALA 60 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1s6l h THR 61 N 0.93 0.00 -0.75 0.00 1.35 -1.63 -1.18 112.91 111.63 1s6l h THR 61 Ca 0.52 0.00 -0.52 0.00 -0.55 0.00 0.00 66.41 65.86 1s6l h THR 61 Cb 1.54 0.76 -0.33 0.00 -1.73 0.00 0.00 68.15 68.39 1s6l h THR 61 CO 1.16 0.00 -0.18 -1.20 -0.25 0.00 0.00 175.52 175.05 1s6l n SER 62 N -2.75 5.28 -4.85 5.36 7.64 -1.26 -5.01 113.62 118.03 1s6l n SER 62 Ca -0.02 -3.77 -0.36 0.00 1.01 0.00 0.00 58.87 55.73 1s6l n SER 62 Cb 0.11 -0.58 -0.06 0.00 -1.01 0.00 0.00 64.21 62.66 1s6l n SER 62 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1s6l s THR 63 N -4.42 5.28 -0.06 0.44 2.01 -0.45 -5.07 115.64 113.37 1s6l s THR 63 Ca 0.54 0.03 -0.30 0.00 0.31 0.00 0.00 61.69 62.27 1s6l s THR 63 Cb 0.44 -3.33 -0.02 0.00 0.01 0.00 0.00 72.50 69.59 1s6l s THR 63 CO 0.02 0.54 1.06 -0.70 -0.69 0.00 0.00 174.62 174.84 1s6l s GLU 64 N -1.24 4.44 0.45 4.92 2.56 -1.26 -5.04 118.70 123.53 1s6l s GLU 64 Ca 0.18 1.48 0.05 0.00 0.00 0.00 0.00 54.97 56.69 1s6l s GLU 64 Cb -0.12 -3.51 -0.04 0.00 2.00 0.00 0.00 34.13 32.46 1s6l s GLU 64 CO 0.07 -0.28 0.10 0.71 -0.56 0.00 0.00 175.26 175.30 1s6l s TYR 65 N 1.75 2.28 -0.06 5.30 2.02 -1.26 -3.07 117.35 124.30 1s6l s TYR 65 Ca 0.51 -0.74 -0.17 0.00 -0.37 0.00 0.00 57.07 56.31 1s6l s TYR 65 Cb -0.21 -1.80 0.04 0.00 -0.40 0.00 0.00 41.96 39.58 1s6l s TYR 65 CO 0.22 0.22 0.39 -0.51 -1.57 0.00 0.00 175.55 174.30 1s6l s ASP 66 N -3.87 -0.33 1.00 2.29 1.11 -1.01 -4.86 116.67 111.00 1s6l s ASP 66 Ca 0.29 0.42 0.00 0.00 0.18 0.00 0.00 52.55 53.43 1s6l s ASP 66 Cb 0.05 0.52 0.00 0.00 1.07 0.00 0.00 42.92 44.56 1s6l s ASP 66 CO 0.16 -0.37 0.00 1.17 1.18 0.00 0.00 175.17 177.30 1s6l n LYS 67 N 1.74 0.00 0.02 8.23 4.81 -1.26 -1.97 118.16 129.73 1s6l n LYS 67 Ca -0.19 0.00 0.12 0.00 -0.87 0.00 0.00 58.31 57.38 1s6l n LYS 67 Cb 0.56 0.00 0.28 0.00 0.02 0.00 0.00 35.03 35.90 1s6l n LYS 67 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 1s6l n ASP 68 N 8.89 0.49 0.00 3.14 2.03 -1.26 -4.90 116.55 124.94 1s6l n ASP 68 Ca 0.00 -0.02 0.00 0.00 0.52 0.00 0.00 54.79 55.29 1s6l n ASP 68 Cb 0.00 0.10 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 1.45 1.97 3.91 0.27 0.00 -0.83 -5.14 105.19 106.82 1s6l n GLY 69 Ca 0.05 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.79 1s6l n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s6l s ASN 70 N -2.00 4.68 -0.22 1.61 2.20 -1.09 -4.69 114.94 115.43 1s6l s ASN 70 Ca 0.00 0.73 -0.29 0.00 -0.94 0.00 0.00 52.86 52.36 1s6l s ASN 70 Cb 0.00 -1.29 0.01 0.00 -2.00 0.00 0.00 41.25 37.96 1s6l s ASN 70 CO 0.00 -1.77 1.05 -0.63 -2.94 0.00 0.00 177.10 172.82 1s6l s ILE 71 N -3.47 4.66 -0.10 0.54 1.09 -1.17 -2.39 121.20 120.36 1s6l s ILE 71 Ca 0.61 2.00 0.12 0.00 -1.10 0.00 0.00 60.65 62.28 1s6l s ILE 71 Cb -0.11 -4.29 -0.17 0.00 -1.06 0.00 0.00 42.46 36.83 1s6l s ILE 71 CO 0.48 -0.17 0.12 0.00 -0.10 0.00 0.00 174.94 175.26 1s6l n ILE 72 N 5.31 0.65 -1.79 2.92 3.06 -1.18 -4.35 119.36 123.97 1s6l n ILE 72 Ca 0.12 -0.49 0.00 0.00 -2.50 0.00 0.00 62.75 59.88 1s6l n ILE 72 Cb 0.46 -0.43 0.00 0.00 0.54 0.00 0.00 39.64 40.21 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 2.07 0.92 2.11 4.50 0.00 -1.25 -4.98 105.19 108.55 1s6l n GLY 73 Ca -0.16 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.27 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 0.00 -4.43 -0.93 1.61 4.01 -1.26 -4.63 117.16 111.53 1s6l n TYR 74 Ca 0.00 2.65 -0.32 0.00 -0.16 0.00 0.00 57.90 60.07 1s6l n TYR 74 Cb 0.00 -3.63 -0.04 0.00 -0.31 0.00 0.00 39.34 35.37 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 1.68 2.81 3.82 2.72 0.00 -1.26 -4.90 105.19 110.07 1s6l n GLY 75 Ca 0.00 -1.05 -0.36 0.00 0.00 0.00 0.00 46.02 44.62 1s6l n GLY 75 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1s6l s LEU 76 N 0.64 4.30 0.24 0.99 1.43 -1.26 -4.91 118.68 120.12 1s6l s LEU 76 Ca 0.48 1.42 0.08 0.00 -1.03 0.00 0.00 54.13 55.08 1s6l s LEU 76 Cb 0.12 -3.68 -0.04 0.00 0.03 0.00 0.00 46.19 42.62 1s6l s LEU 76 CO 0.04 -0.01 0.07 0.42 0.23 0.00 0.00 176.35 177.11 1s6l s THR 77 N -1.59 3.88 -0.44 5.49 -4.23 -1.26 -5.02 115.64 112.47 1s6l s THR 77 Ca 0.45 -1.64 -0.02 0.00 -1.18 0.00 0.00 61.69 59.31 1s6l s THR 77 Cb -0.16 -3.07 0.23 0.00 1.34 0.00 0.00 72.50 70.85 1s6l s THR 77 CO 0.21 -0.32 2.20 0.18 -0.54 0.00 0.00 174.62 176.34 1s6l n LEU 78 N -0.88 6.75 -3.66 4.79 4.77 -1.26 -4.81 117.00 122.71 1s6l n LEU 78 Ca -0.07 -3.73 -0.07 0.00 -0.03 0.00 0.00 56.01 52.11 1s6l n LEU 78 Cb 0.58 -1.08 -0.08 0.00 -2.33 0.00 0.00 43.42 40.50 1s6l n LEU 78 CO 0.41 1.41 0.14 -0.13 -1.33 0.00 0.00 177.39 177.89 1s6l s ARG 79 N -2.27 0.46 0.65 3.23 0.52 -1.26 -5.01 118.95 115.26 1s6l s ARG 79 Ca 0.45 1.11 0.38 0.00 -0.52 0.00 0.00 55.73 57.15 1s6l s ARG 79 Cb 0.33 0.36 2.09 0.00 0.52 0.00 0.00 34.95 38.25 1s6l s ARG 79 CO -0.07 -0.20 2.17 1.05 0.02 0.00 0.00 175.30 178.27 1s6l h GLU 80 N 7.74 0.00 0.00 3.54 9.09 -1.95 -3.43 114.58 129.57 1s6l h GLU 80 Ca -0.23 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.18 1s6l h GLU 80 Cb 1.14 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.24 1s6l h GLU 80 CO 0.16 0.00 0.00 0.25 0.05 0.00 0.00 179.01 179.47 1s6l n THR 81 N -2.97 0.00 -0.03 -1.06 -2.24 -1.26 -4.62 114.28 102.10 1s6l n THR 81 Ca -0.03 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.74 1s6l n THR 81 Cb 0.19 0.00 -0.08 0.00 -2.10 0.00 0.00 70.33 68.33 1s6l n THR 81 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1s6l n SER 82 N -3.38 2.50 -4.61 3.42 7.64 -1.26 -4.94 113.62 112.99 1s6l n SER 82 Ca 0.00 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.46 1s6l n SER 82 Cb 0.00 1.03 -0.05 0.00 -1.01 0.00 0.00 64.21 64.18 1s6l n SER 82 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1s6l s TYR 83 N -2.44 3.21 0.01 1.43 1.51 -1.26 -4.67 117.35 115.15 1s6l s TYR 83 Ca -0.05 0.75 0.03 0.00 -1.01 0.00 0.00 57.07 56.79 1s6l s TYR 83 Cb 0.04 -3.13 -0.04 0.00 -0.11 0.00 0.00 41.96 38.73 1s6l s TYR 83 CO 0.43 -0.53 -0.05 0.08 -1.11 0.00 0.00 175.55 174.38 1s6l s VAL 84 N 2.83 3.79 -0.22 0.71 1.01 -0.75 -0.69 120.40 127.07 1s6l s VAL 84 Ca 0.30 -0.77 -0.02 0.00 0.00 0.00 0.00 61.98 61.48 1s6l s VAL 84 Cb -0.14 -2.68 0.07 0.00 0.00 0.00 0.00 36.38 33.63 1s6l s VAL 84 CO 0.12 0.35 0.05 0.12 0.00 0.00 0.00 175.10 175.74 1s6l s PHE 85 N -1.05 1.15 -0.16 5.22 2.19 0.16 -0.09 117.98 125.40 1s6l s PHE 85 Ca 0.19 -1.06 -0.07 0.00 0.33 0.00 0.00 56.93 56.32 1s6l s PHE 85 Cb -0.11 -1.17 -0.04 0.00 -1.31 0.00 0.00 43.02 40.39 1s6l s PHE 85 CO 0.09 -0.68 0.09 -1.21 1.83 0.00 0.00 175.22 175.34 1s6l s GLU 86 N 1.81 3.81 -0.03 10.12 2.02 0.34 0.18 118.70 136.95 1s6l s GLU 86 Ca 0.02 -0.28 -0.01 0.00 0.02 0.00 0.00 54.97 54.71 1s6l s GLU 86 Cb -0.17 -3.21 0.03 0.00 0.10 0.00 0.00 34.13 30.88 1s6l s GLU 86 CO -0.13 0.43 0.05 0.96 0.02 0.00 0.00 175.26 176.59 1s6l s ILE 87 N -0.05 -0.09 0.00 -1.63 -4.36 -0.71 0.95 121.20 115.31 1s6l s ILE 87 Ca 0.08 0.34 0.00 0.00 -0.26 0.00 0.00 60.65 60.80 1s6l s ILE 87 Cb -0.12 -0.12 0.00 0.00 1.25 0.00 0.00 42.46 43.47 1s6l s ILE 87 CO 0.01 0.14 0.00 -0.67 0.24 0.00 0.00 174.94 174.66 1s6l n ASP 88 N 4.82 0.00 -1.71 4.36 2.03 -1.26 -1.27 116.55 123.51 1s6l n ASP 88 Ca -0.14 0.00 -0.03 0.00 0.52 0.00 0.00 54.79 55.14 1s6l n ASP 88 Cb 0.50 0.00 0.03 0.00 -0.72 0.00 0.00 41.12 40.93 1s6l n ASP 88 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1s6l n ASP 89 N 0.62 -0.84 -3.73 1.67 -0.08 -1.26 -5.11 116.55 107.82 1s6l n ASP 89 Ca 0.00 -1.61 -0.25 0.00 -1.51 0.00 0.00 54.79 51.42 1s6l n ASP 89 Cb 0.00 0.35 -0.17 0.00 2.34 0.00 0.00 41.12 43.64 1s6l n ASP 89 CO 0.00 0.00 0.00 -0.13 0.12 0.00 0.00 177.20 177.19 1s6l s ARG 90 N 0.05 0.55 -1.11 -0.67 1.81 -0.40 -5.07 118.95 114.10 1s6l s ARG 90 Ca 0.04 -0.13 -0.19 0.00 -1.72 0.00 0.00 55.73 53.73 1s6l s ARG 90 Cb 0.18 -1.53 0.09 0.00 -0.45 0.00 0.00 34.95 33.24 1s6l s ARG 90 CO -0.05 -0.49 1.47 -0.98 -0.68 0.00 0.00 175.30 174.57 1s6l s ARG 91 N 1.95 3.78 0.82 3.54 3.03 -1.26 -1.74 118.95 129.06 1s6l s ARG 91 Ca 0.02 -1.69 -0.12 0.00 2.03 0.00 0.00 55.73 55.97 1s6l s ARG 91 Cb -0.15 -5.29 0.08 0.00 -1.03 0.00 0.00 34.95 28.57 1s6l s ARG 91 CO -0.07 -2.08 1.10 -1.17 -1.13 0.00 0.00 175.30 171.95 1s6l s LEU 92 N 3.87 2.52 0.19 -1.89 2.96 0.46 -4.83 118.68 121.95 1s6l s LEU 92 Ca 0.45 1.32 0.02 0.00 -0.22 0.00 0.00 54.13 55.70 1s6l s LEU 92 Cb -0.00 -3.89 -0.05 0.00 0.50 0.00 0.00 46.19 42.75 1s6l s LEU 92 CO -0.03 -2.11 0.02 -0.31 -1.32 0.00 0.00 176.35 172.60 1s6l s TYR 93 N -3.13 1.26 0.24 5.38 1.51 -1.26 0.40 117.35 121.75 1s6l s TYR 93 Ca 0.61 -1.05 -0.13 0.00 -1.01 0.00 0.00 57.07 55.50 1s6l s TYR 93 Cb -0.15 -0.72 -0.00 0.00 -0.11 0.00 0.00 41.96 40.98 1s6l s TYR 93 CO 0.55 -0.24 0.47 0.00 -1.11 0.00 0.00 175.55 175.22 1s6l s ALA 94 N -3.68 -0.22 -0.14 3.71 0.00 0.13 -4.52 121.76 117.04 1s6l s ALA 94 Ca 0.26 -0.88 0.17 0.00 0.00 0.00 0.00 51.96 51.51 1s6l s ALA 94 Cb 0.06 1.07 -0.09 0.00 0.00 0.00 0.00 23.12 24.16 1s6l s ALA 94 CO 0.05 -0.84 0.95 -1.49 0.00 0.00 0.00 175.76 174.44 1s6l h TRP 95 N 2.27 0.00 -4.05 0.00 6.55 -1.88 -3.35 115.95 115.49 1s6l h TRP 95 Ca -0.26 0.00 -0.18 0.00 0.95 0.00 0.00 58.89 59.40 1s6l h TRP 95 Cb 1.25 0.00 -0.10 0.00 -0.86 0.00 0.00 29.16 29.45 1s6l h TRP 95 CO 0.40 0.52 -0.27 0.00 -1.05 0.00 0.00 178.44 178.04 1s6l h ALA 97 N 2.29 1.27 0.00 0.00 0.00 -1.94 -2.71 119.26 118.17 1s6l h ALA 97 Ca -0.29 -0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.48 1s6l h ALA 97 Cb 1.25 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.02 1s6l h ALA 97 CO 0.41 -0.19 -0.84 -0.07 0.00 0.00 0.00 179.25 178.55 1s6l h LEU 98 N 0.00 0.00 -1.74 0.00 3.38 -1.92 -3.36 115.31 111.66 1s6l h LEU 98 Ca 0.01 -0.53 0.13 0.00 0.09 0.00 0.00 57.88 57.59 1s6l h LEU 98 Cb 0.37 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 1s6l h LEU 98 CO -0.00 1.25 0.59 0.44 0.09 0.00 0.00 178.44 180.82 1s6l h ASP 99 N -1.00 0.00 -0.91 -0.43 3.32 -1.82 0.84 116.42 116.41 1s6l h ASP 99 Ca -0.22 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 56.83 1s6l h ASP 99 Cb 1.08 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.59 1s6l h ASP 99 CO -0.13 0.00 0.56 0.71 -1.72 0.00 0.00 179.24 178.66 1s6l h THR 100 N 0.00 1.25 -0.53 0.35 1.35 -1.68 -3.44 112.91 110.20 1s6l h THR 100 Ca 0.22 -0.53 -0.60 0.00 -0.55 0.00 0.00 66.41 64.95 1s6l h THR 100 Cb 1.41 -0.05 -0.07 0.00 -1.73 0.00 0.00 68.15 67.71 1s6l h THR 100 CO -0.00 0.26 -0.35 -1.48 -0.25 0.00 0.00 175.52 173.69 1s6l s LEU 101 N -9.98 2.62 0.00 3.87 0.05 0.29 -4.75 118.68 110.78 1s6l s LEU 101 Ca -0.12 -1.33 0.00 0.00 0.05 0.00 0.00 54.13 52.72 1s6l s LEU 101 Cb 0.17 -1.09 0.00 0.00 -2.05 0.00 0.00 46.19 43.22 1s6l s LEU 101 CO 0.82 -1.04 0.00 0.00 -0.55 0.00 0.00 176.35 175.57 1s6l n ILE 102 N -1.65 0.00 -3.09 1.48 3.06 -1.26 -4.95 119.36 112.95 1s6l n ILE 102 Ca -0.06 0.00 0.02 0.00 -2.50 0.00 0.00 62.75 60.21 1s6l n ILE 102 Cb 0.65 -0.03 -0.01 0.00 0.54 0.00 0.00 39.64 40.80 1s6l n ILE 102 CO 0.00 0.00 0.00 -0.36 -2.50 0.00 0.00 176.55 173.69 1s6l s PHE 103 N -1.53 -1.37 0.21 9.51 0.08 -1.26 -5.03 117.98 118.59 1s6l s PHE 103 Ca 0.00 0.26 0.02 0.00 0.12 0.00 0.00 56.93 57.33 1s6l s PHE 103 Cb 0.00 0.25 0.15 0.00 -0.57 0.00 0.00 43.02 42.85 1s6l s PHE 103 CO 0.00 -0.91 1.50 -1.00 -0.10 0.00 0.00 175.22 174.70 1s6l h PRO 104 N 6.67 0.31 0.00 0.24 0.13 -1.90 -1.77 132.00 135.67 1s6l h PRO 104 Ca 0.02 -0.23 -0.07 0.00 -0.87 0.00 0.00 66.00 64.84 1s6l h PRO 104 Cb 1.19 0.04 -0.01 0.00 0.13 0.00 0.00 31.00 32.36 1s6l h PRO 104 CO 0.05 0.87 -0.35 0.00 -0.23 0.00 0.00 178.00 178.34 1s6l h ALA 105 N 1.07 0.81 0.14 -0.56 0.00 -1.77 -3.21 119.26 115.75 1s6l h ALA 105 Ca -0.02 -0.32 -0.29 0.00 0.00 0.00 0.00 54.91 54.28 1s6l h ALA 105 Cb 1.21 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.95 1s6l h ALA 105 CO 0.11 0.44 -1.43 1.25 0.00 0.00 0.00 179.25 179.62 1s6l h LEU 106 N 0.00 0.47 -0.37 0.00 5.85 -1.88 -3.36 115.31 116.02 1s6l h LEU 106 Ca -0.00 -0.89 0.06 0.00 0.84 0.00 0.00 57.88 57.89 1s6l h LEU 106 Cb 1.18 -0.15 -0.06 0.00 0.37 0.00 0.00 40.66 42.00 1s6l h LEU 106 CO 0.05 1.64 0.03 -0.29 -0.34 0.00 0.00 178.44 179.53 1s6l h ILE 107 N -0.19 0.76 0.00 4.05 2.10 -1.41 -3.47 117.51 119.35 1s6l h ILE 107 Ca -0.29 -0.05 0.00 0.00 1.08 0.00 0.00 64.86 65.60 1s6l h ILE 107 Cb 1.85 0.61 0.00 0.00 -1.09 0.00 0.00 36.82 38.19 1s6l h ILE 107 CO 0.11 0.03 0.00 0.61 -1.08 0.00 0.00 178.15 177.82 1s6l n GLY 108 N -1.25 1.11 3.62 8.18 0.00 -1.21 -4.95 105.19 110.69 1s6l n GLY 108 Ca 0.02 -0.07 -0.12 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.30 1.98 0.44 1.61 1.81 -1.26 -5.04 118.95 118.19 1s6l s ARG 109 Ca 0.00 -1.57 -0.14 0.00 -1.72 0.00 0.00 55.73 52.30 1s6l s ARG 109 Cb 0.00 0.51 -0.08 0.00 -0.45 0.00 0.00 34.95 34.94 1s6l s ARG 109 CO 0.00 -0.86 0.85 0.99 -0.68 0.00 0.00 175.30 175.60 1s6l s THR 110 N -2.94 4.66 -0.18 0.02 2.01 -1.26 -4.07 115.64 113.86 1s6l s THR 110 Ca 0.24 0.93 -0.04 0.00 0.31 0.00 0.00 61.69 63.13 1s6l s THR 110 Cb -0.02 -3.70 0.06 0.00 0.01 0.00 0.00 72.50 68.85 1s6l s THR 110 CO 0.16 -0.53 0.06 0.00 -0.69 0.00 0.00 174.62 173.62 1s6l s ALA 111 N -2.40 0.74 -0.21 7.40 0.00 0.31 -4.24 121.76 123.35 1s6l s ALA 111 Ca 0.55 -0.52 -0.27 0.00 0.00 0.00 0.00 51.96 51.72 1s6l s ALA 111 Cb -0.10 -1.12 -0.00 0.00 0.00 0.00 0.00 23.12 21.90 1s6l s ALA 111 CO 0.28 -1.18 0.92 1.03 0.00 0.00 0.00 175.76 176.81 1s6l s ARG 112 N 1.99 4.25 -0.11 0.00 0.52 0.27 0.15 118.95 126.01 1s6l s ARG 112 Ca 0.01 1.14 0.00 0.00 -0.52 0.00 0.00 55.73 56.35 1s6l s ARG 112 Cb -0.17 -3.62 -0.02 0.00 0.52 0.00 0.00 34.95 31.66 1s6l s ARG 112 CO -0.09 -0.51 -0.12 0.08 0.02 0.00 0.00 175.30 174.69 1s6l s VAL 113 N 2.78 3.21 -0.03 3.52 1.01 0.30 0.13 120.40 131.32 1s6l s VAL 113 Ca 0.40 -0.62 0.07 0.00 0.00 0.00 0.00 61.98 61.83 1s6l s VAL 113 Cb -0.16 -2.34 -0.02 0.00 0.00 0.00 0.00 36.38 33.87 1s6l s VAL 113 CO 0.09 0.54 -0.25 -0.94 0.00 0.00 0.00 175.10 174.54 1s6l s SER 114 N 0.06 2.94 0.24 3.32 1.04 0.87 0.15 113.70 122.32 1s6l s SER 114 Ca -0.04 -0.46 0.01 0.00 0.48 0.00 0.00 55.95 55.94 1s6l s SER 114 Cb -0.14 -0.42 -0.03 0.00 0.10 0.00 0.00 66.02 65.52 1s6l s SER 114 CO 0.04 0.29 0.20 -0.44 0.98 0.00 0.00 173.24 174.31 1s6l s SER 115 N -0.50 0.60 -0.04 7.02 0.01 0.43 -1.81 113.70 119.41 1s6l s SER 115 Ca 0.07 -1.48 0.01 0.00 1.31 0.00 0.00 55.95 55.86 1s6l s SER 115 Cb -0.10 0.45 0.02 0.00 0.21 0.00 0.00 66.02 66.59 1s6l s SER 115 CO -0.00 -0.93 -0.06 -1.00 0.41 0.00 0.00 173.24 171.66 1s6l s HIS 116 N -3.92 0.83 0.04 2.43 3.76 -1.26 0.96 115.29 118.14 1s6l s HIS 116 Ca 0.39 -0.24 -0.33 0.00 -0.15 0.00 0.00 55.06 54.73 1s6l s HIS 116 Cb 0.05 -0.70 -0.11 0.00 1.11 0.00 0.00 32.58 32.93 1s6l s HIS 116 CO 0.17 -0.19 1.84 0.00 -0.85 0.00 0.00 174.74 175.71 1s6l n ALA 118 N 5.97 1.52 0.00 0.00 0.00 -0.35 -0.99 120.51 126.66 1s6l n ALA 118 Ca 0.20 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.60 1s6l n ALA 118 Cb 0.34 -1.17 0.00 0.00 0.00 0.00 0.00 19.45 18.61 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 -1.46 3.00 0.23 0.00 0.00 -1.26 -4.76 120.51 116.25 1s6l n ALA 119 Ca 0.03 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.59 1s6l n ALA 119 Cb 0.12 0.42 0.35 0.00 0.00 0.00 0.00 19.45 20.34 1s6l n ALA 119 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1s6l h THR 120 N 0.00 0.19 -3.86 0.00 2.02 -1.94 -3.47 112.91 105.85 1s6l h THR 120 Ca 0.00 -1.02 -0.38 0.00 0.77 0.00 0.00 66.41 65.78 1s6l h THR 120 Cb 0.82 1.87 0.04 0.00 -1.74 0.00 0.00 68.15 69.14 1s6l h THR 120 CO 0.00 0.09 -0.55 0.61 0.37 0.00 0.00 175.52 176.04 1s6l n GLY 121 N 0.65 -0.44 3.95 2.16 0.00 -0.16 -4.95 105.19 106.40 1s6l n GLY 121 Ca 0.02 0.04 -0.19 0.00 0.00 0.00 0.00 46.02 45.89 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 -3.10 4.24 -0.43 4.61 0.00 -1.26 -4.80 121.76 121.02 1s6l s ALA 122 Ca 0.22 -1.65 -0.20 0.00 0.00 0.00 0.00 51.96 50.33 1s6l s ALA 122 Cb -0.10 -1.44 0.02 0.00 0.00 0.00 0.00 23.12 21.60 1s6l s ALA 122 CO 0.27 -0.15 0.58 -1.25 0.00 0.00 0.00 175.76 175.21 1s6l s PRO 123 N -4.20 3.23 0.06 0.00 0.04 -1.26 -1.27 135.00 131.60 1s6l s PRO 123 Ca 0.48 -0.48 0.04 0.00 0.04 0.00 0.00 61.00 61.08 1s6l s PRO 123 Cb -0.08 -3.95 -0.04 0.00 0.04 0.00 0.00 34.50 30.47 1s6l s PRO 123 CO 0.30 -0.96 -0.00 0.14 0.04 0.00 0.00 177.00 176.52 1s6l s VAL 124 N 2.62 4.06 -0.11 -0.36 -7.23 0.27 -4.68 120.40 114.97 1s6l s VAL 124 Ca 0.20 -0.87 -0.12 0.00 -1.81 0.00 0.00 61.98 59.38 1s6l s VAL 124 Cb -0.15 -2.89 0.03 0.00 0.56 0.00 0.00 36.38 33.93 1s6l s VAL 124 CO 0.17 0.20 0.33 -0.94 -0.31 0.00 0.00 175.10 174.55 1s6l s SER 125 N -2.07 -0.32 0.09 4.85 1.04 -0.11 0.16 113.70 117.34 1s6l s SER 125 Ca 0.24 0.58 0.04 0.00 0.48 0.00 0.00 55.95 57.29 1s6l s SER 125 Cb -0.12 0.62 -0.03 0.00 0.10 0.00 0.00 66.02 66.59 1s6l s SER 125 CO 0.16 -0.16 -0.11 -0.76 0.98 0.00 0.00 173.24 173.35 1s6l s LEU 126 N -0.04 2.37 -0.28 2.42 2.01 0.40 -1.75 118.68 123.81 1s6l s LEU 126 Ca -0.02 -0.75 -0.05 0.00 0.01 0.00 0.00 54.13 53.32 1s6l s LEU 126 Cb -0.03 -0.35 0.02 0.00 0.01 0.00 0.00 46.19 45.84 1s6l s LEU 126 CO 0.01 -0.21 0.03 -0.89 1.01 0.00 0.00 176.35 176.30 1s6l s THR 127 N -2.10 3.54 -0.39 5.49 2.01 -0.73 0.11 115.64 123.57 1s6l s THR 127 Ca 0.03 -0.86 -0.17 0.00 0.31 0.00 0.00 61.69 61.00 1s6l s THR 127 Cb -0.05 -2.84 0.01 0.00 0.01 0.00 0.00 72.50 69.63 1s6l s THR 127 CO 0.01 0.10 0.43 -0.69 -0.69 0.00 0.00 174.62 173.77 1s6l s VAL 128 N 1.42 5.10 0.40 3.82 1.01 0.39 -2.33 120.40 130.20 1s6l s VAL 128 Ca 0.01 -0.17 0.08 0.00 0.00 0.00 0.00 61.98 61.90 1s6l s VAL 128 Cb -0.17 -3.98 -0.02 0.00 0.00 0.00 0.00 36.38 32.21 1s6l s VAL 128 CO -0.00 -0.32 0.36 -0.94 0.00 0.00 0.00 175.10 174.20 1s6l s SER 129 N 1.79 5.11 0.56 3.32 1.04 0.20 0.11 113.70 125.82 1s6l s SER 129 Ca 0.13 -0.69 0.36 0.00 0.48 0.00 0.00 55.95 56.23 1s6l s SER 129 Cb -0.17 -0.66 1.70 0.00 0.10 0.00 0.00 66.02 67.00 1s6l s SER 129 CO 0.13 -0.59 2.08 1.55 0.98 0.00 0.00 173.24 177.40 1s6l h PRO 130 N 1.07 0.00 0.00 4.02 0.13 -1.70 -3.17 132.00 132.35 1s6l h PRO 130 Ca -0.42 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.63 1s6l h PRO 130 Cb 1.26 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.38 1s6l h PRO 130 CO 0.57 0.00 -1.44 -1.13 -0.23 0.00 0.00 178.00 175.77 1s6l n SER 131 N -2.97 3.22 0.00 1.44 3.41 -1.26 -4.06 113.62 113.41 1s6l n SER 131 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.60 1s6l n SER 131 Cb 0.20 0.94 0.00 0.00 -0.26 0.00 0.00 64.21 65.09 1s6l n SER 131 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 1s6l n GLU 132 N -2.07 -0.24 -3.41 4.33 0.28 -1.20 -5.14 120.64 113.19 1s6l n GLU 132 Ca -0.08 0.00 -0.25 0.00 -0.16 0.00 0.00 57.16 56.67 1s6l n GLU 132 Cb 0.53 0.00 -0.02 0.00 1.43 0.00 0.00 31.44 33.38 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 5.10 0.00 3.84 -4.36 -1.26 0.59 121.20 122.12 1s6l s ILE 133 Ca 0.00 -0.39 0.01 0.00 -0.26 0.00 0.00 60.65 60.01 1s6l s ILE 133 Cb 0.00 -3.83 0.01 0.00 1.25 0.00 0.00 42.46 39.89 1s6l s ILE 133 CO 0.00 -0.49 0.86 0.00 0.24 0.00 0.00 174.94 175.55 1s6l n GLN 134 N -1.56 0.00 -2.82 0.37 6.02 -0.98 -4.90 117.38 113.51 1s6l n GLN 134 Ca -0.04 -0.73 -0.00 0.00 -0.01 0.00 0.00 57.00 56.21 1s6l n GLN 134 Cb 0.56 -0.32 0.01 0.00 1.02 0.00 0.00 30.24 31.50 1s6l n GLN 134 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1s6l s ALA 135 N 0.00 -3.88 -0.35 -1.58 0.00 -1.26 -4.88 121.76 109.80 1s6l s ALA 135 Ca 0.01 0.76 -0.11 0.00 0.00 0.00 0.00 51.96 52.62 1s6l s ALA 135 Cb 0.01 -2.93 0.00 0.00 0.00 0.00 0.00 23.12 20.20 1s6l s ALA 135 CO -0.01 -2.43 0.20 0.08 0.00 0.00 0.00 175.76 173.61 1s6l s VAL 136 N 1.59 4.83 -0.12 0.00 1.01 -1.26 -1.77 120.40 124.67 1s6l s VAL 136 Ca 0.19 -0.52 -0.05 0.00 0.00 0.00 0.00 61.98 61.60 1s6l s VAL 136 Cb 0.04 -3.55 0.06 0.00 0.00 0.00 0.00 36.38 32.93 1s6l s VAL 136 CO -0.12 -0.07 0.24 -0.70 0.00 0.00 0.00 175.10 174.46 1s6l s GLU 137 N 1.63 0.14 0.72 2.72 -6.30 -0.72 -3.42 118.70 113.48 1s6l s GLU 137 Ca 0.04 0.68 -0.13 0.00 -2.50 0.00 0.00 54.97 53.07 1s6l s GLU 137 Cb -0.18 -0.08 0.03 0.00 0.00 0.00 0.00 34.13 33.90 1s6l s GLU 137 CO 0.08 -0.26 1.10 -1.25 0.02 0.00 0.00 175.26 174.95 1s6l s PRO 138 N 2.18 2.46 -1.22 4.30 0.04 -1.26 -0.93 135.00 140.56 1s6l s PRO 138 Ca -0.01 1.30 -0.21 0.00 0.04 0.00 0.00 61.00 62.12 1s6l s PRO 138 Cb -0.12 -1.91 -0.04 0.00 0.04 0.00 0.00 34.50 32.47 1s6l s PRO 138 CO -0.08 -1.50 1.87 0.00 0.04 0.00 0.00 177.00 177.32 1s6l s ALA 139 N -2.62 2.28 0.00 8.56 0.00 -1.22 -2.60 121.76 126.15 1s6l s ALA 139 Ca 0.64 -2.39 0.00 0.00 0.00 0.00 0.00 51.96 50.21 1s6l s ALA 139 Cb -0.19 -4.67 0.00 0.00 0.00 0.00 0.00 23.12 18.26 1s6l s ALA 139 CO 0.49 -4.62 0.00 0.41 0.00 0.00 0.00 175.76 172.04 1s6l n GLY 140 N 5.70 -0.23 3.69 0.00 0.00 -1.26 -5.15 105.19 107.93 1s6l n GLY 140 Ca 0.46 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.16 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 1.23 0.10 1.61 0.00 -1.07 -4.00 119.30 117.16 1s6l s MET 141 Ca 0.00 1.56 0.06 0.00 0.00 0.00 0.00 55.69 57.31 1s6l s MET 141 Cb 0.00 -1.75 -0.03 0.00 0.00 0.00 0.00 34.83 33.05 1s6l s MET 141 CO 0.00 -2.48 -0.15 0.00 0.00 0.00 0.00 175.02 172.39 1s6l s ALA 142 N -2.58 1.44 0.16 3.16 0.00 0.36 -3.85 121.76 120.45 1s6l s ALA 142 Ca 0.67 -1.18 0.09 0.00 0.00 0.00 0.00 51.96 51.55 1s6l s ALA 142 Cb -0.23 -0.12 -0.04 0.00 0.00 0.00 0.00 23.12 22.73 1s6l s ALA 142 CO 0.56 0.17 -0.13 0.08 0.00 0.00 0.00 175.76 176.45 1s6l s VAL 143 N -1.64 3.03 -0.00 0.00 1.01 0.43 0.22 120.40 123.45 1s6l s VAL 143 Ca 0.04 -1.63 0.08 0.00 0.00 0.00 0.00 61.98 60.48 1s6l s VAL 143 Cb -0.08 -2.47 -0.02 0.00 0.00 0.00 0.00 36.38 33.81 1s6l s VAL 143 CO 0.03 -0.04 -0.26 -0.44 0.00 0.00 0.00 175.10 174.39 1s6l s SER 144 N -2.60 3.08 0.30 3.32 0.01 0.37 0.38 113.70 118.56 1s6l s SER 144 Ca 0.22 -0.50 0.02 0.00 1.31 0.00 0.00 55.95 57.01 1s6l s SER 144 Cb -0.09 -0.33 -0.02 0.00 0.21 0.00 0.00 66.02 65.78 1s6l s SER 144 CO 0.13 0.30 0.29 -0.76 0.41 0.00 0.00 173.24 173.62 1s6l s LEU 145 N -0.77 1.38 0.03 2.44 1.02 0.99 -2.37 118.68 121.40 1s6l s LEU 145 Ca 0.10 -1.57 0.07 0.00 0.02 0.00 0.00 54.13 52.75 1s6l s LEU 145 Cb -0.10 0.76 -0.02 0.00 0.02 0.00 0.00 46.19 46.84 1s6l s LEU 145 CO -0.00 -1.06 -0.20 -0.69 0.02 0.00 0.00 176.35 174.42 1s6l s VAL 146 N -3.58 1.59 0.95 -1.59 1.01 -1.26 0.65 120.40 118.17 1s6l s VAL 146 Ca 0.37 -1.12 -0.11 0.00 0.00 0.00 0.00 61.98 61.13 1s6l s VAL 146 Cb 0.03 -1.38 0.15 0.00 0.00 0.00 0.00 36.38 35.18 1s6l s VAL 146 CO 0.21 0.23 1.06 0.00 0.00 0.00 0.00 175.10 176.60 1s6l n LEU 147 N 1.98 2.55 0.03 3.92 -0.00 -1.26 -4.84 117.00 119.38 1s6l n LEU 147 Ca -0.17 0.36 -0.12 0.00 -0.00 0.00 0.00 56.01 56.07 1s6l n LEU 147 Cb 0.53 -1.43 -0.08 0.00 -0.00 0.00 0.00 43.42 42.44 1s6l n LEU 147 CO 0.23 -2.40 0.51 -0.65 -0.00 0.00 0.00 177.39 175.08 1s6l h PRO 148 N -1.95 -0.49 0.00 1.47 0.11 -1.93 -3.45 132.00 125.75 1s6l h PRO 148 Ca -0.45 0.03 0.08 0.00 0.11 0.00 0.00 66.00 65.78 1s6l h PRO 148 Cb 1.28 0.11 -0.02 0.00 0.11 0.00 0.00 31.00 32.48 1s6l h PRO 148 CO 0.41 -0.33 -0.11 0.94 -0.21 0.00 0.00 178.00 178.70 1s6l n GLN 149 N -4.84 -0.63 -2.94 1.05 7.27 -1.26 -4.64 117.38 111.40 1s6l n GLN 149 Ca -0.06 0.41 -0.14 0.00 0.07 0.00 0.00 57.00 57.28 1s6l n GLN 149 Cb 0.31 -0.76 -0.00 0.00 2.41 0.00 0.00 30.24 32.19 1s6l n GLN 149 CO 0.00 0.00 0.00 0.39 0.07 0.00 0.00 177.06 177.52 1s6l n GLU 150 N -2.06 1.12 0.00 3.69 -0.58 -1.26 -4.85 120.64 116.70 1s6l n GLU 150 Ca 0.00 -3.36 0.00 0.00 -0.42 0.00 0.00 57.16 53.38 1s6l n GLU 150 Cb 0.14 -1.52 0.00 0.00 -0.57 0.00 0.00 31.44 29.50 1s6l n GLU 150 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1s6l n ALA 151 N 0.11 0.00 -2.78 0.62 0.00 -1.26 -5.13 120.51 112.07 1s6l n ALA 151 Ca 0.18 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.28 1s6l n ALA 151 Cb 0.73 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 20.08 1s6l n ALA 151 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1s6l s ALA 152 N -0.56 3.25 1.25 0.00 0.00 -1.26 -5.11 121.76 119.33 1s6l s ALA 152 Ca 0.00 -0.79 -0.15 0.00 0.00 0.00 0.00 51.96 51.01 1s6l s ALA 152 Cb 0.00 -1.58 0.32 0.00 0.00 0.00 0.00 23.12 21.85 1s6l s ALA 152 CO 0.00 0.42 0.99 0.34 0.00 0.00 0.00 175.76 177.52 1s6l s ASP 153 N -0.36 0.25 -0.09 0.00 2.15 -1.26 -4.73 116.67 112.63 1s6l s ASP 153 Ca 0.07 1.35 0.08 0.00 0.43 0.00 0.00 52.55 54.49 1s6l s ASP 153 Cb -0.12 -2.07 -0.11 0.00 -0.30 0.00 0.00 42.92 40.31 1s6l s ASP 153 CO 0.02 -4.63 0.03 0.55 -0.17 0.00 0.00 175.17 170.97 1s6l n VAL 154 N -5.19 0.65 -0.11 1.11 3.14 -1.26 -4.42 118.33 112.25 1s6l n VAL 154 Ca 0.04 -0.39 -0.15 0.00 -2.96 0.00 0.00 64.34 60.88 1s6l n VAL 154 Cb 0.56 -0.75 -0.10 0.00 -1.06 0.00 0.00 33.84 32.48 1s6l n VAL 154 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 1s6l n ARG 155 N -2.36 0.55 -3.34 1.45 1.74 -1.26 -4.58 116.66 108.86 1s6l n ARG 155 Ca -0.15 0.13 -0.26 0.00 -0.77 0.00 0.00 57.85 56.79 1s6l n ARG 155 Cb 0.80 -1.44 -0.09 0.00 -1.02 0.00 0.00 32.46 30.71 1s6l n ARG 155 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1s6l n GLN 156 N -3.15 0.29 0.00 5.56 3.00 -1.26 -4.62 117.38 117.19 1s6l n GLN 156 Ca -0.39 -3.16 0.00 0.00 -0.01 0.00 0.00 57.00 53.44 1s6l n GLN 156 Cb 0.91 -1.58 0.00 0.00 0.00 0.00 0.00 30.24 29.58 1s6l n GLN 156 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 1s6l n SER 157 N 2.57 0.00 0.00 1.08 2.88 -1.26 -4.66 113.62 114.23 1s6l n SER 157 Ca 0.28 0.46 0.00 0.00 -1.33 0.00 0.00 58.87 58.28 1s6l n SER 157 Cb 0.49 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.95 1s6l n SER 157 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 1s6l n PHE 158 N -0.48 0.00 0.01 0.66 3.72 -1.26 -4.64 117.46 115.46 1s6l n PHE 158 Ca 0.00 0.00 -0.19 0.00 -0.05 0.00 0.00 57.45 57.21 1s6l n PHE 158 Cb 0.00 0.14 -0.14 0.00 -0.94 0.00 0.00 39.48 38.54 1s6l n PHE 158 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1s6l n HIS 161 N -3.20 0.00 -3.74 0.00 -0.00 -1.26 -4.02 115.22 103.00 1s6l n HIS 161 Ca 0.00 0.00 -0.37 0.00 0.46 0.00 0.00 57.72 57.81 1s6l n HIS 161 Cb 0.00 0.00 -0.12 0.00 -0.12 0.00 0.00 29.99 29.75 1s6l n HIS 161 CO 0.00 0.00 0.00 0.54 0.46 0.00 0.00 176.34 177.34 1s6l s VAL 162 N 0.00 4.15 0.33 3.57 0.11 -1.26 -4.50 120.40 122.80 1s6l s VAL 162 Ca 0.00 -0.55 0.04 0.00 -2.93 0.00 0.00 61.98 58.54 1s6l s VAL 162 Cb 0.00 -3.11 -0.06 0.00 -1.53 0.00 0.00 36.38 31.68 1s6l s VAL 162 CO 0.00 0.12 0.04 -1.00 -3.33 0.00 0.00 175.10 170.93 1s6l s HIS 163 N 1.54 2.02 0.10 1.54 3.76 -1.00 -3.89 115.29 119.37 1s6l s HIS 163 Ca 0.04 -0.90 0.05 0.00 -0.15 0.00 0.00 55.06 54.10 1s6l s HIS 163 Cb -0.17 -1.32 -0.04 0.00 1.11 0.00 0.00 32.58 32.16 1s6l s HIS 163 CO 0.03 0.09 0.01 -0.06 -0.85 0.00 0.00 174.74 173.96 1s6l s PHE 164 N -3.20 3.00 -0.02 1.40 0.40 -1.26 0.14 117.98 118.43 1s6l s PHE 164 Ca 0.35 -0.03 0.02 0.00 -0.60 0.00 0.00 56.93 56.68 1s6l s PHE 164 Cb 0.08 -1.53 0.00 0.00 0.51 0.00 0.00 43.02 42.09 1s6l s PHE 164 CO 0.15 0.49 -0.08 -0.06 0.70 0.00 0.00 175.22 176.42 1s6l s PHE 165 N -1.38 0.86 0.55 0.36 0.40 0.59 -1.21 117.98 118.16 1s6l s PHE 165 Ca 0.26 -0.20 0.42 0.00 -0.60 0.00 0.00 56.93 56.81 1s6l s PHE 165 Cb -0.11 -0.61 1.46 0.00 0.51 0.00 0.00 43.02 44.26 1s6l s PHE 165 CO 0.19 -0.09 1.43 0.00 0.70 0.00 0.00 175.22 177.46 1s6l n ALA 166 N 3.27 1.60 -3.86 5.36 0.00 -1.26 0.14 120.51 125.75 1s6l n ALA 166 Ca -0.18 0.55 -0.01 0.00 0.00 0.00 0.00 53.44 53.81 1s6l n ALA 166 Cb 0.55 -0.96 0.01 0.00 0.00 0.00 0.00 19.45 19.05 1s6l n ALA 166 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1s6l s SER 167 N -3.74 -0.02 0.26 0.00 0.15 -1.26 -3.41 113.70 105.67 1s6l s SER 167 Ca -0.04 -0.42 0.02 0.00 0.70 0.00 0.00 55.95 56.21 1s6l s SER 167 Cb 0.22 0.34 0.33 0.00 -1.71 0.00 0.00 66.02 65.21 1s6l s SER 167 CO 0.75 -0.67 1.65 0.58 1.20 0.00 0.00 173.24 176.75 1s6l h VAL 168 N 2.00 1.30 -0.18 4.45 2.07 -1.84 0.86 116.25 124.91 1s6l h VAL 168 Ca -0.26 -1.52 -0.20 0.00 0.82 0.00 0.00 66.70 65.54 1s6l h VAL 168 Cb 1.21 1.59 0.00 0.00 -1.52 0.00 0.00 31.29 32.57 1s6l h VAL 168 CO 0.32 0.47 -0.68 -0.65 0.02 0.00 0.00 177.57 177.06 1s6l h PRO 169 N 0.35 0.70 0.04 1.57 0.11 -1.95 0.85 132.00 133.67 1s6l h PRO 169 Ca 0.03 -0.52 -0.28 0.00 0.11 0.00 0.00 66.00 65.35 1s6l h PRO 169 Cb 0.84 0.09 0.02 0.00 0.11 0.00 0.00 31.00 32.07 1s6l h PRO 169 CO 0.07 1.14 -1.11 1.15 -0.21 0.00 0.00 178.00 179.04 1s6l h THR 170 N 0.51 1.28 -0.43 -1.15 2.02 -1.94 5.36 112.91 118.57 1s6l h THR 170 Ca -0.02 -2.32 -0.01 0.00 0.77 0.00 0.00 66.41 64.83 1s6l h THR 170 Cb 1.28 2.48 -0.02 0.00 -1.74 0.00 0.00 68.15 70.15 1s6l h THR 170 CO 0.14 0.71 0.24 0.00 0.37 0.00 0.00 175.52 176.98 1s6l h ALA 171 N 0.37 0.55 0.00 6.16 0.00 0.81 1.10 119.26 128.25 1s6l h ALA 171 Ca -0.15 -0.07 -0.15 0.00 0.00 0.00 0.00 54.91 54.53 1s6l h ALA 171 Cb 1.77 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 19.36 1s6l h ALA 171 CO 0.22 0.06 -0.73 0.93 0.00 0.00 0.00 179.25 179.73 1s6l h GLU 172 N 0.56 0.00 0.29 0.00 5.08 0.82 0.03 114.58 121.36 1s6l h GLU 172 Ca 0.15 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.50 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 -0.03 0.73 -0.14 0.22 -1.00 0.00 0.00 179.01 178.79 1s6l h ASP 173 N 0.00 -0.33 0.31 1.42 1.82 1.17 0.25 116.42 121.07 1s6l h ASP 173 Ca -0.01 -0.20 -0.04 0.00 -0.39 0.00 0.00 57.03 56.39 1s6l h ASP 173 Cb 1.52 0.09 -0.01 0.00 0.68 0.00 0.00 39.33 41.61 1s6l h ASP 173 CO 0.09 0.12 -0.21 -0.25 -1.61 0.00 0.00 179.24 177.39 1s6l h TRP 174 N -0.90 0.00 -0.41 0.28 7.01 0.11 -1.62 115.95 120.42 1s6l h TRP 174 Ca -0.04 0.00 -0.10 0.00 2.11 0.00 0.00 58.89 60.86 1s6l h TRP 174 Cb 0.51 0.00 -0.02 0.00 -2.10 0.00 0.00 29.16 27.56 1s6l h TRP 174 CO 0.04 0.21 -0.14 0.00 -2.79 0.00 0.00 178.44 175.76 1s6l h ALA 175 N 1.79 0.99 -0.58 2.65 0.00 -0.85 -2.43 119.26 120.82 1s6l h ALA 175 Ca -0.00 -0.33 0.10 0.00 0.00 0.00 0.00 54.91 54.68 1s6l h ALA 175 Cb 0.42 -0.16 -0.08 0.00 0.00 0.00 0.00 17.79 17.97 1s6l h ALA 175 CO 0.03 0.60 0.16 1.03 0.00 0.00 0.00 179.25 181.07 1s6l h SER 176 N 0.68 0.09 -0.53 0.00 0.87 0.09 0.16 113.55 114.92 1s6l h SER 176 Ca 0.11 0.09 -0.11 0.00 -1.23 0.00 0.00 61.79 60.65 1s6l h SER 176 Cb 0.62 0.11 -0.07 0.00 -0.44 0.00 0.00 62.40 62.62 1s6l h SER 176 CO 0.04 0.06 0.14 0.29 -0.53 0.00 0.00 176.83 176.84 1s6l n LYS 177 N -5.07 3.42 -2.71 2.24 4.76 -1.11 -4.11 118.16 115.58 1s6l n LYS 177 Ca 0.08 -2.37 -0.05 0.00 -2.87 0.00 0.00 58.31 53.10 1s6l n LYS 177 Cb 0.28 -2.04 0.09 0.00 -1.84 0.00 0.00 35.03 31.53 1s6l n LYS 177 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 1s6l n HIS 178 N 0.14 -1.04 -4.29 2.13 8.25 0.47 -5.07 115.22 115.80 1s6l n HIS 178 Ca 0.28 -2.07 -0.28 0.00 -0.26 0.00 0.00 57.72 55.39 1s6l n HIS 178 Cb 1.09 0.91 -0.03 0.00 1.12 0.00 0.00 29.99 33.08 1s6l n HIS 178 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 1s6l n GLN 179 N -0.78 0.75 -2.36 -0.41 6.02 -0.54 -4.71 117.38 115.36 1s6l n GLN 179 Ca -0.03 -3.46 -0.19 0.00 -0.01 0.00 0.00 57.00 53.30 1s6l n GLN 179 Cb 0.84 0.65 -0.01 0.00 1.02 0.00 0.00 30.24 32.74 1s6l n GLN 179 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1s6l n GLY 180 N -1.17 -0.37 2.66 1.08 0.00 -1.26 -4.88 105.19 101.24 1s6l n GLY 180 Ca -0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.50 1s6l n GLY 180 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1s6l n LEU 181 N -2.93 7.39 -2.09 0.99 4.77 -1.26 -4.70 117.00 119.17 1s6l n LEU 181 Ca -0.22 -5.21 -0.17 0.00 -0.03 0.00 0.00 56.01 50.38 1s6l n LEU 181 Cb 0.67 -1.25 -0.03 0.00 -2.33 0.00 0.00 43.42 40.48 1s6l n LEU 181 CO 0.26 1.98 -0.19 1.21 -1.33 0.00 0.00 177.39 179.32 1s6l n GLU 182 N 0.75 -1.75 0.00 3.23 4.07 -1.26 -4.62 120.64 121.05 1s6l n GLU 182 Ca 0.48 0.86 0.00 0.00 -0.06 0.00 0.00 57.16 58.44 1s6l n GLU 182 Cb 0.27 -5.38 0.00 0.00 -0.06 0.00 0.00 31.44 26.27 1s6l n GLU 182 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1s6l n GLY 183 N -0.70 3.30 3.63 8.31 0.00 -1.26 -4.81 105.19 113.66 1s6l n GLY 183 Ca -0.19 -1.30 0.02 0.00 0.00 0.00 0.00 46.02 44.55 1s6l n GLY 183 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1s6l s LEU 184 N 0.00 -0.15 0.02 0.99 2.96 -1.26 -4.39 118.68 116.84 1s6l s LEU 184 Ca 0.00 0.23 -0.02 0.00 -0.22 0.00 0.00 54.13 54.12 1s6l s LEU 184 Cb 0.00 1.21 -0.01 0.00 0.50 0.00 0.00 46.19 47.89 1s6l s LEU 184 CO 0.00 -0.04 0.02 0.00 -1.32 0.00 0.00 176.35 175.02 1s6l s ALA 185 N 1.15 -0.02 0.23 5.97 0.00 0.21 -4.88 121.76 124.42 1s6l s ALA 185 Ca -0.08 -0.45 0.05 0.00 0.00 0.00 0.00 51.96 51.48 1s6l s ALA 185 Cb -0.02 0.14 -0.03 0.00 0.00 0.00 0.00 23.12 23.21 1s6l s ALA 185 CO -0.11 -0.18 0.36 0.42 0.00 0.00 0.00 175.76 176.25 1s6l s ILE 186 N -1.47 5.26 0.16 0.00 -1.09 -1.26 -0.01 121.20 122.79 1s6l s ILE 186 Ca -0.15 -0.94 -0.23 0.00 -2.23 0.00 0.00 60.65 57.10 1s6l s ILE 186 Cb -0.09 -3.85 0.07 0.00 -1.58 0.00 0.00 42.46 37.01 1s6l s ILE 186 CO -0.00 -0.31 0.67 0.68 -1.23 0.00 0.00 174.94 174.74 1s6l s VAL 187 N -1.97 0.00 -0.11 2.92 -7.23 0.16 -4.93 120.40 109.25 1s6l s VAL 187 Ca 0.34 -0.19 -0.19 0.00 -1.81 0.00 0.00 61.98 60.13 1s6l s VAL 187 Cb -0.09 -1.20 -0.04 0.00 0.56 0.00 0.00 36.38 35.60 1s6l s VAL 187 CO 0.29 0.00 0.52 -0.44 -0.31 0.00 0.00 175.10 175.16 1s6l s SER 188 N -2.75 6.74 0.66 4.85 0.01 -1.26 0.16 113.70 122.10 1s6l s SER 188 Ca 0.04 0.88 0.16 0.00 1.31 0.00 0.00 55.95 58.33 1s6l s SER 188 Cb -0.02 -2.31 0.85 0.00 0.21 0.00 0.00 66.02 64.75 1s6l s SER 188 CO -0.09 -0.03 1.47 -0.37 0.41 0.00 0.00 173.24 174.63 1s6l h VAL 189 N 4.75 0.00 -0.21 3.43 -1.51 -1.89 1.12 116.25 121.94 1s6l h VAL 189 Ca -0.41 0.00 -0.16 0.00 -1.23 0.00 0.00 66.70 64.90 1s6l h VAL 189 Cb 1.18 0.35 0.00 0.00 -2.13 0.00 0.00 31.29 30.69 1s6l h VAL 189 CO 0.76 0.00 -0.49 0.45 -1.23 0.00 0.00 177.57 177.06 1s6l h HIS 190 N 0.00 0.91 0.00 5.19 3.86 -1.91 -2.45 115.15 120.75 1s6l h HIS 190 Ca 0.00 -0.34 -0.10 0.00 -1.16 0.00 0.00 60.37 58.77 1s6l h HIS 190 Cb 1.29 -0.16 -0.01 0.00 1.06 0.00 0.00 27.41 29.59 1s6l h HIS 190 CO 0.00 1.13 -0.61 0.93 0.86 0.00 0.00 177.93 180.24 1s6l h GLU 191 N 0.42 0.00 0.00 2.45 5.08 0.78 -3.24 114.58 120.08 1s6l h GLU 191 Ca -0.00 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.30 1s6l h GLU 191 Cb 1.10 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.34 1s6l h GLU 191 CO 0.11 0.38 -0.29 0.00 -1.00 0.00 0.00 179.01 178.20 1s6l h ALA 192 N 1.58 1.01 0.00 3.43 0.00 -0.83 -1.90 119.26 122.54 1s6l h ALA 192 Ca -0.03 -0.27 -0.12 0.00 0.00 0.00 0.00 54.91 54.49 1s6l h ALA 192 Cb 1.35 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.07 1s6l h ALA 192 CO 0.05 0.37 -0.67 0.35 0.00 0.00 0.00 179.25 179.35 1s6l h PHE 193 N 0.00 0.00 0.01 0.00 3.04 -1.46 -1.27 116.94 117.25 1s6l h PHE 193 Ca -0.00 0.00 -0.23 0.00 3.98 0.00 0.00 57.97 61.71 1s6l h PHE 193 Cb 0.83 0.00 -0.03 0.00 2.56 0.00 0.00 35.95 39.30 1s6l h PHE 193 CO 0.00 0.56 -1.20 0.78 -2.02 0.00 0.00 178.31 176.43 1s6l h GLY 194 N 3.48 0.01 1.79 2.40 0.00 -1.55 0.27 103.07 109.47 1s6l h GLY 194 Ca -0.03 -0.03 -0.19 0.00 0.00 0.00 0.00 47.33 47.08 1s6l h GLY 194 CO 0.07 0.03 -0.98 -2.00 0.00 0.00 0.00 176.54 173.66 1s6l h LEU 195 N 0.00 0.00 0.00 3.11 6.46 -1.40 -1.03 115.31 122.46 1s6l h LEU 195 Ca -0.09 0.00 -0.21 0.00 -0.12 0.00 0.00 57.88 57.46 1s6l h LEU 195 Cb 1.84 0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 41.74 1s6l h LEU 195 CO 0.12 0.82 -1.22 1.23 -0.62 0.00 0.00 178.44 178.77 1s6l h GLY 196 N 3.26 0.00 1.77 3.75 0.00 -1.25 -3.27 103.07 107.33 1s6l h GLY 196 Ca -0.05 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.18 1s6l h GLY 196 CO 0.10 0.00 -0.60 -1.61 0.00 0.00 0.00 176.54 174.43 1s6l h GLN 197 N 0.00 0.00 0.00 4.80 4.15 -0.47 -3.25 115.11 120.34 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 0.35 -0.23 1.49 -1.93 0.00 0.00 178.83 178.60 1s6l h GLU 198 N 0.00 0.00 -0.87 1.69 4.57 -1.26 -3.20 114.58 115.51 1s6l h GLU 198 Ca -0.03 0.00 0.22 0.00 -1.18 0.00 0.00 59.36 58.37 1s6l h GLU 198 Cb 1.33 0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 29.87 1s6l h GLU 198 CO 0.05 0.23 0.59 0.35 -1.18 0.00 0.00 179.01 179.05 1s6l h PHE 199 N 0.00 0.34 0.00 0.92 3.04 -1.61 0.40 116.94 120.03 1s6l h PHE 199 Ca -0.00 0.01 -0.11 0.00 3.98 0.00 0.00 57.97 61.85 1s6l h PHE 199 Cb 0.93 -0.10 -0.02 0.00 2.56 0.00 0.00 35.95 39.32 1s6l h PHE 199 CO 0.00 0.09 -0.59 -0.97 -2.02 0.00 0.00 178.31 174.82 1s6l h ASN 200 N 0.25 0.00 -0.27 0.41 -1.24 -1.78 -2.90 115.58 110.05 1s6l h ASN 200 Ca 0.44 0.00 0.03 0.00 0.71 0.00 0.00 56.30 57.48 1s6l h ASN 200 Cb 1.32 0.00 -0.03 0.00 0.73 0.00 0.00 38.32 40.34 1s6l h ASN 200 CO -0.11 0.51 0.07 -0.09 -1.29 0.00 0.00 177.43 176.52 1s6l h ARG 201 N 0.00 0.18 0.03 6.67 9.65 -0.33 0.46 114.38 131.03 1s6l h ARG 201 Ca -0.02 -0.01 -0.23 0.00 -1.10 0.00 0.00 59.98 58.62 1s6l h ARG 201 Cb 1.40 -0.04 -0.02 0.00 -1.39 0.00 0.00 29.97 29.92 1s6l h ARG 201 CO 0.06 0.12 -1.07 0.45 2.80 0.00 0.00 179.97 182.33 1s6l h HIS 202 N 0.18 0.13 0.00 2.20 3.86 -1.64 -2.99 115.15 116.89 1s6l h HIS 202 Ca 0.12 -0.09 -0.06 0.00 -1.16 0.00 0.00 60.37 59.18 1s6l h HIS 202 Cb 0.11 -0.01 -0.01 0.00 1.06 0.00 0.00 27.41 28.57 1s6l h HIS 202 CO -0.15 1.07 -0.27 1.25 0.86 0.00 0.00 177.93 180.70 1s6l h LEU 203 N 0.02 0.00 0.00 2.43 7.12 -1.26 -2.18 115.31 121.45 1s6l h LEU 203 Ca -0.04 0.00 -0.02 0.00 0.13 0.00 0.00 57.88 57.95 1s6l h LEU 203 Cb 1.82 0.00 -0.00 0.00 -0.53 0.00 0.00 40.66 41.95 1s6l h LEU 203 CO 0.15 0.27 -0.12 0.25 -0.13 0.00 0.00 178.44 178.86 1s6l h LEU 204 N 0.00 0.00 -5.03 2.25 6.46 -0.12 -3.45 115.31 115.42 1s6l h LEU 204 Ca -0.00 -0.78 -0.14 0.00 -0.12 0.00 0.00 57.88 56.84 1s6l h LEU 204 Cb 0.78 0.00 -0.16 0.00 -0.73 0.00 0.00 40.66 40.55 1s6l h LEU 204 CO 0.03 0.96 -0.46 -1.58 -0.62 0.00 0.00 178.44 176.77 1s6l s GLN 205 N -2.13 1.01 0.01 1.25 0.74 -1.13 -5.01 119.66 114.40 1s6l s GLN 205 Ca -0.17 -0.98 -0.07 0.00 0.05 0.00 0.00 55.36 54.19 1s6l s GLN 205 Cb -0.02 -0.04 -0.30 0.00 1.10 0.00 0.00 33.01 33.75 1s6l s GLN 205 CO 0.56 -1.25 0.90 0.00 -0.55 0.00 0.00 175.29 174.95 1s6l h THR 206 N 4.82 1.20 -2.57 -0.34 1.03 -1.56 -3.45 112.91 112.04 1s6l h THR 206 Ca 0.05 -2.77 -0.10 0.00 -0.01 0.00 0.00 66.41 63.58 1s6l h THR 206 Cb 1.12 2.85 -0.24 0.00 -1.07 0.00 0.00 68.15 70.81 1s6l h THR 206 CO 0.00 0.84 -0.18 -0.04 -0.01 0.00 0.00 175.52 176.14 1s6l s MET 207 N -2.61 0.53 -0.03 0.00 -1.94 -1.26 -5.07 119.30 108.92 1s6l s MET 207 Ca -0.09 0.71 -0.09 0.00 -1.71 0.00 0.00 55.69 54.51 1s6l s MET 207 Cb 0.06 0.21 0.01 0.00 2.01 0.00 0.00 34.83 37.12 1s6l s MET 207 CO 0.88 -0.09 0.20 0.45 -0.01 0.00 0.00 175.02 176.45 1s6l s SER 208 N 0.53 -0.11 0.35 3.03 0.15 -1.26 -5.12 113.70 111.27 1s6l s SER 208 Ca -0.02 0.08 0.00 0.00 0.70 0.00 0.00 55.95 56.70 1s6l s SER 208 Cb -0.04 0.31 0.00 0.00 -1.71 0.00 0.00 66.02 64.58 1s6l s SER 208 CO -0.03 -0.29 0.00 -0.24 1.20 0.00 0.00 173.24 173.88 1s6l n SER 209 N 1.92 -8.46 -2.11 5.45 2.88 -1.26 -4.92 113.62 107.13 1s6l n SER 209 Ca -0.19 0.63 -0.01 0.00 -1.33 0.00 0.00 58.87 57.97 1s6l n SER 209 Cb 0.57 -4.35 0.01 0.00 -0.75 0.00 0.00 64.21 59.69 1s6l n SER 209 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1s6l n ARG 210 N -4.21 0.42 0.00 -1.46 1.74 -1.26 -5.02 116.66 106.87 1s6l n ARG 210 Ca 0.00 -0.11 0.00 0.00 -0.77 0.00 0.00 57.85 56.97 1s6l n ARG 210 Cb 0.65 -0.04 0.00 0.00 -1.02 0.00 0.00 32.46 32.05 1s6l n ARG 210 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 1s6l n THR 211 N -1.61 0.00 0.00 0.55 -1.04 -1.26 -5.25 114.28 105.66 1s6l n THR 211 Ca 0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.02 1s6l n THR 211 Cb 0.03 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.54 1s6l n THR 211 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78