#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 -7.76 -3.81 0.00 -0.08 -1.26 -5.05 116.55 98.59 1s6l n ASP 22 Ca 0.00 1.66 -0.09 0.00 -1.51 0.00 0.00 54.79 54.85 1s6l n ASP 22 Cb 0.00 -4.67 -0.06 0.00 2.34 0.00 0.00 41.12 38.72 1s6l n ASP 22 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 1s6l s LEU 23 N -5.69 1.07 0.00 -2.67 1.02 -1.26 -5.10 118.68 106.04 1s6l s LEU 23 Ca 0.00 -0.59 0.00 0.00 0.02 0.00 0.00 54.13 53.56 1s6l s LEU 23 Cb 0.00 1.29 0.00 0.00 0.02 0.00 0.00 46.19 47.50 1s6l s LEU 23 CO 0.00 -0.79 0.00 0.18 0.02 0.00 0.00 176.35 175.76 1s6l n LEU 24 N -0.13 0.00 -3.96 1.79 4.77 -1.26 -5.03 117.00 113.18 1s6l n LEU 24 Ca -0.14 0.00 -0.34 0.00 -0.03 0.00 0.00 56.01 55.50 1s6l n LEU 24 Cb 0.63 0.06 -0.07 0.00 -2.33 0.00 0.00 43.42 41.71 1s6l n LEU 24 CO 0.21 -0.20 0.32 0.52 -1.33 0.00 0.00 177.39 176.91 1s6l n VAL 25 N -1.60 2.92 0.21 4.08 0.31 -1.26 -4.88 118.33 118.11 1s6l n VAL 25 Ca 0.00 -5.17 0.08 0.00 -0.01 0.00 0.00 64.34 59.24 1s6l n VAL 25 Cb 0.00 -2.28 0.42 0.00 -0.91 0.00 0.00 33.84 31.07 1s6l n VAL 25 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 1s6l h PRO 26 N 5.55 0.00 0.32 5.55 0.13 -1.96 -2.41 132.00 139.18 1s6l h PRO 26 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 1s6l h PRO 26 Cb 0.76 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.86 1s6l h PRO 26 CO 0.88 0.27 -0.41 -0.07 -0.23 0.00 0.00 178.00 178.45 1s6l h LEU 27 N 0.00 -1.13 0.00 1.56 3.38 -1.97 0.94 115.31 118.08 1s6l h LEU 27 Ca -0.00 0.10 -0.16 0.00 0.09 0.00 0.00 57.88 57.92 1s6l h LEU 27 Cb 0.78 0.39 -0.02 0.00 0.09 0.00 0.00 40.66 41.91 1s6l h LEU 27 CO 0.04 -0.53 -0.75 -0.07 0.09 0.00 0.00 178.44 177.21 1s6l h LEU 28 N -0.77 0.00 0.15 1.67 -0.00 -1.97 -2.20 115.31 112.19 1s6l h LEU 28 Ca -0.02 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.85 1s6l h LEU 28 Cb 0.72 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.38 1s6l h LEU 28 CO -0.12 0.74 -0.07 -0.09 -0.00 0.00 0.00 178.44 178.90 1s6l h ARG 29 N 0.00 -0.19 0.00 1.13 1.12 -1.23 -0.68 114.38 114.53 1s6l h ARG 29 Ca -0.01 0.01 -0.04 0.00 -1.11 0.00 0.00 59.98 58.83 1s6l h ARG 29 Cb 1.57 0.04 -0.01 0.00 -0.01 0.00 0.00 29.97 31.57 1s6l h ARG 29 CO 0.09 0.25 -0.21 1.49 -3.11 0.00 0.00 179.97 178.48 1s6l h GLU 30 N -0.75 0.00 -0.00 0.20 4.57 0.79 -2.16 114.58 117.23 1s6l h GLU 30 Ca -0.02 0.00 -0.15 0.00 -1.18 0.00 0.00 59.36 58.01 1s6l h GLU 30 Cb 0.53 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.10 1s6l h GLU 30 CO 0.03 0.21 -0.69 -0.07 -1.18 0.00 0.00 179.01 177.32 1s6l h LEU 31 N 0.00 0.03 -2.00 1.64 3.38 -1.30 -3.04 115.31 114.02 1s6l h LEU 31 Ca -0.00 -0.02 0.17 0.00 0.09 0.00 0.00 57.88 58.12 1s6l h LEU 31 Cb 0.51 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.23 1s6l h LEU 31 CO 0.03 0.71 0.46 0.00 0.09 0.00 0.00 178.44 179.73 1s6l h ALA 32 N 1.29 2.47 0.00 1.53 0.00 -0.42 0.87 119.26 125.00 1s6l h ALA 32 Ca -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1s6l h ALA 32 Cb 1.22 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1s6l h ALA 32 CO 0.09 -0.76 0.00 -0.22 0.00 0.00 0.00 179.25 178.36 1s6l h LYS 33 N 0.00 0.00 -5.30 0.00 3.64 -1.64 -3.47 116.57 109.80 1s6l h LYS 33 Ca 0.28 0.00 -0.31 0.00 -1.27 0.00 0.00 60.65 59.35 1s6l h LYS 33 Cb 1.20 0.00 0.15 0.00 -0.41 0.00 0.00 32.23 33.17 1s6l h LYS 33 CO -0.00 0.00 -0.68 0.41 -2.27 0.00 0.00 179.45 176.91 1s6l n GLY 34 N -0.63 -0.30 3.35 5.01 0.00 0.30 -5.03 105.19 107.89 1s6l n GLY 34 Ca -0.01 0.06 -0.18 0.00 0.00 0.00 0.00 46.02 45.89 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 -5.37 1.37 -0.26 1.61 0.52 -1.26 -5.10 118.95 110.47 1s6l s ARG 35 Ca 0.08 -1.69 -0.28 0.00 -0.52 0.00 0.00 55.73 53.32 1s6l s ARG 35 Cb -0.04 -0.75 -0.03 0.00 0.52 0.00 0.00 34.95 34.65 1s6l s ARG 35 CO 0.66 -0.05 1.90 -1.25 0.02 0.00 0.00 175.30 176.58 1s6l s PRO 36 N -3.82 3.40 -0.26 3.54 0.04 -1.26 -4.96 135.00 131.68 1s6l s PRO 36 Ca 0.28 1.72 0.03 0.00 0.04 0.00 0.00 61.00 63.06 1s6l s PRO 36 Cb 0.05 -4.22 0.06 0.00 0.04 0.00 0.00 34.50 30.43 1s6l s PRO 36 CO 0.09 -1.78 -0.11 0.08 0.04 0.00 0.00 177.00 175.33 1s6l s VAL 37 N 6.86 2.13 0.21 -0.36 1.01 -1.26 -5.09 120.40 123.91 1s6l s VAL 37 Ca 0.85 -1.62 -0.00 0.00 0.00 0.00 0.00 61.98 61.21 1s6l s VAL 37 Cb -0.27 -2.25 0.04 0.00 0.00 0.00 0.00 36.38 33.90 1s6l s VAL 37 CO 0.34 -0.04 0.29 -1.54 0.00 0.00 0.00 175.10 174.15 1s6l n SER 38 N 4.44 0.35 0.03 3.32 3.41 -1.26 -2.72 113.62 121.19 1s6l n SER 38 Ca -0.14 -1.31 -0.15 0.00 -0.26 0.00 0.00 58.87 57.01 1s6l n SER 38 Cb 0.42 -0.19 -0.05 0.00 -0.26 0.00 0.00 64.21 64.13 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 0.60 0.00 4.33 3.08 -1.97 0.13 114.38 120.55 1s6l h ARG 39 Ca -0.09 -0.56 -0.05 0.00 0.07 0.00 0.00 59.98 59.35 1s6l h ARG 39 Cb 0.34 0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.52 1s6l h ARG 39 CO 0.10 1.17 -0.25 1.79 -1.07 0.00 0.00 179.97 181.71 1s6l h THR 40 N 0.38 1.00 0.15 2.04 1.35 -1.96 1.52 112.91 117.40 1s6l h THR 40 Ca -0.07 -0.91 -0.29 0.00 -0.55 0.00 0.00 66.41 64.59 1s6l h THR 40 Cb 1.49 1.51 0.01 0.00 -1.73 0.00 0.00 68.15 69.43 1s6l h THR 40 CO 0.16 0.24 -1.44 0.74 -0.25 0.00 0.00 175.52 174.97 1s6l h THR 41 N 0.00 1.09 -0.57 6.82 2.02 -1.92 1.01 112.91 121.35 1s6l h THR 41 Ca -0.00 -2.48 -0.03 0.00 0.77 0.00 0.00 66.41 64.67 1s6l h THR 41 Cb 0.49 2.82 -0.03 0.00 -1.74 0.00 0.00 68.15 69.70 1s6l h THR 41 CO 0.03 0.76 0.23 0.25 0.37 0.00 0.00 175.52 177.16 1s6l h LEU 42 N -0.15 0.76 -0.15 2.58 5.85 -0.41 1.91 115.31 125.70 1s6l h LEU 42 Ca -0.29 -0.10 -0.15 0.00 0.84 0.00 0.00 57.88 58.18 1s6l h LEU 42 Cb 1.89 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 42.73 1s6l h LEU 42 CO 0.13 0.68 -0.49 0.00 -0.34 0.00 0.00 178.44 178.42 1s6l h ALA 43 N 1.43 0.26 -0.10 1.25 0.00 0.21 0.19 119.26 122.50 1s6l h ALA 43 Ca 0.20 -0.49 -0.09 0.00 0.00 0.00 0.00 54.91 54.52 1s6l h ALA 43 Cb 0.16 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1s6l h ALA 43 CO -0.02 0.43 -0.34 0.78 0.00 0.00 0.00 179.25 180.10 1s6l h GLY 44 N 0.24 0.22 0.85 0.00 0.00 0.20 0.50 103.07 105.08 1s6l h GLY 44 Ca -0.02 -0.19 -0.21 0.00 0.00 0.00 0.00 47.33 46.91 1s6l h GLY 44 CO 0.10 0.17 -0.89 -2.22 0.00 0.00 0.00 176.54 173.70 1s6l h ILE 45 N 0.18 1.44 0.00 2.60 2.04 0.30 -3.15 117.51 120.92 1s6l h ILE 45 Ca 0.02 -2.43 0.00 0.00 1.00 0.00 0.00 64.86 63.45 1s6l h ILE 45 Cb 0.70 2.97 0.00 0.00 -0.74 0.00 0.00 36.82 39.74 1s6l h ILE 45 CO 0.05 0.70 0.00 0.18 0.00 0.00 0.00 178.15 179.09 1s6l n LEU 46 N -4.06 0.00 -1.81 1.44 4.32 0.67 -4.84 117.00 112.73 1s6l n LEU 46 Ca -0.13 0.37 -0.16 0.00 -0.02 0.00 0.00 56.01 56.07 1s6l n LEU 46 Cb 0.84 -0.37 -0.05 0.00 -1.62 0.00 0.00 43.42 42.22 1s6l n LEU 46 CO 0.51 -0.03 -0.17 -0.90 -1.22 0.00 0.00 177.39 175.58 1s6l n ASP 47 N -1.37 -4.33 -4.90 -1.43 5.68 0.16 -4.93 116.55 105.42 1s6l n ASP 47 Ca 0.11 0.29 -0.29 0.00 -0.50 0.00 0.00 54.79 54.39 1s6l n ASP 47 Cb 0.26 -3.83 -0.04 0.00 -1.14 0.00 0.00 41.12 36.37 1s6l n ASP 47 CO 0.00 0.00 0.00 0.26 -1.33 0.00 0.00 177.20 176.13 1s6l s TRP 48 N -2.49 3.44 0.29 2.11 0.52 -0.02 -4.99 118.94 117.80 1s6l s TRP 48 Ca 0.00 0.17 -0.29 0.00 0.02 0.00 0.00 56.10 55.99 1s6l s TRP 48 Cb 0.00 -1.69 -0.10 0.00 -1.15 0.00 0.00 33.47 30.52 1s6l s TRP 48 CO 0.00 0.55 1.41 -1.25 0.02 0.00 0.00 176.95 177.68 1s6l s PRO 49 N -2.79 4.27 0.65 4.98 0.04 -1.26 -4.52 135.00 136.38 1s6l s PRO 49 Ca 0.34 2.31 0.23 0.00 0.04 0.00 0.00 61.00 63.92 1s6l s PRO 49 Cb -0.12 -3.08 1.18 0.00 0.04 0.00 0.00 34.50 32.52 1s6l s PRO 49 CO 0.27 -0.37 1.66 0.00 0.04 0.00 0.00 177.00 178.61 1s6l h ALA 50 N 4.32 1.73 0.10 8.56 0.00 -1.92 0.30 119.26 132.34 1s6l h ALA 50 Ca -0.47 -0.00 -0.27 0.00 0.00 0.00 0.00 54.91 54.16 1s6l h ALA 50 Cb 1.22 0.01 0.01 0.00 0.00 0.00 0.00 17.79 19.04 1s6l h ALA 50 CO 0.73 -0.64 -1.16 0.93 0.00 0.00 0.00 179.25 179.10 1s6l h GLU 51 N 0.00 0.42 -0.55 0.00 5.08 -1.98 -0.80 114.58 116.74 1s6l h GLU 51 Ca 0.07 -0.58 -0.10 0.00 -1.00 0.00 0.00 59.36 57.75 1s6l h GLU 51 Cb 1.21 0.19 -0.02 0.00 0.50 0.00 0.00 28.75 30.63 1s6l h GLU 51 CO -0.00 1.23 -0.05 -0.09 -1.00 0.00 0.00 179.01 179.10 1s6l h ARG 52 N 0.18 1.01 -0.17 2.33 2.43 -0.78 0.31 114.38 119.70 1s6l h ARG 52 Ca -0.14 -0.35 -0.01 0.00 -0.81 0.00 0.00 59.98 58.67 1s6l h ARG 52 Cb 1.84 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 31.31 1s6l h ARG 52 CO 0.20 1.03 0.07 0.28 -1.51 0.00 0.00 179.97 180.05 1s6l h VAL 53 N 0.89 1.14 -0.13 0.20 2.07 -1.45 -0.40 116.25 118.58 1s6l h VAL 53 Ca 0.15 -0.43 0.05 0.00 0.82 0.00 0.00 66.70 67.29 1s6l h VAL 53 Cb 0.61 1.12 -0.06 0.00 -1.52 0.00 0.00 31.29 31.44 1s6l h VAL 53 CO 0.04 0.14 -0.25 0.00 0.02 0.00 0.00 177.57 177.51 1s6l h ALA 54 N 0.93 -0.24 -0.58 1.67 0.00 -0.72 0.26 119.26 120.57 1s6l h ALA 54 Ca 0.06 0.04 0.08 0.00 0.00 0.00 0.00 54.91 55.08 1s6l h ALA 54 Cb 0.15 0.49 -0.07 0.00 0.00 0.00 0.00 17.79 18.36 1s6l h ALA 54 CO -0.01 -0.72 0.23 0.00 0.00 0.00 0.00 179.25 178.75 1s6l h ALA 55 N 0.61 0.74 -0.34 0.00 0.00 -0.16 -0.65 119.26 119.46 1s6l h ALA 55 Ca 0.10 0.07 -0.06 0.00 0.00 0.00 0.00 54.91 55.02 1s6l h ALA 55 Cb 0.47 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 1s6l h ALA 55 CO -0.31 -0.18 -0.02 0.28 0.00 0.00 0.00 179.25 179.02 1s6l h VAL 56 N 0.42 1.21 -0.23 0.00 2.07 -0.18 -2.20 116.25 117.32 1s6l h VAL 56 Ca 0.28 -0.84 -0.02 0.00 0.82 0.00 0.00 66.70 66.94 1s6l h VAL 56 Cb 0.32 0.98 -0.01 0.00 -1.52 0.00 0.00 31.29 31.06 1s6l h VAL 56 CO -0.27 0.29 0.05 -0.07 0.02 0.00 0.00 177.57 177.59 1s6l h LEU 57 N 0.51 0.30 -2.51 2.57 -0.00 0.10 -1.14 115.31 115.14 1s6l h LEU 57 Ca 0.11 -0.03 0.02 0.00 -0.00 0.00 0.00 57.88 57.97 1s6l h LEU 57 Cb 0.37 -0.08 -0.00 0.00 -0.00 0.00 0.00 40.66 40.95 1s6l h LEU 57 CO 0.01 0.31 0.12 -0.08 -0.00 0.00 0.00 178.44 178.80 1s6l h GLU 58 N 0.33 0.00 0.00 1.13 4.81 -0.79 0.11 114.58 120.16 1s6l h GLU 58 Ca 0.08 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.31 1s6l h GLU 58 Cb 0.14 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.52 1s6l h GLU 58 CO -0.00 0.00 -1.42 0.94 -0.73 0.00 0.00 179.01 177.80 1s6l n GLN 59 N -3.38 0.62 -1.13 1.92 7.27 -0.45 -4.10 117.38 118.13 1s6l n GLN 59 Ca -0.02 -0.01 -0.24 0.00 0.07 0.00 0.00 57.00 56.81 1s6l n GLN 59 Cb 0.20 -1.69 0.14 0.00 2.41 0.00 0.00 30.24 31.29 1s6l n GLN 59 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1s6l n ALA 60 N -2.20 5.45 0.31 1.69 0.00 0.36 -4.50 120.51 121.61 1s6l n ALA 60 Ca -0.02 -2.69 0.20 0.00 0.00 0.00 0.00 53.44 50.93 1s6l n ALA 60 Cb 0.56 -1.47 1.02 0.00 0.00 0.00 0.00 19.45 19.56 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 0.91 0.00 0.00 0.00 1.35 -1.67 -0.95 112.91 112.54 1s6l h THR 61 Ca 0.56 -0.10 -0.06 0.00 -0.55 0.00 0.00 66.41 66.27 1s6l h THR 61 Cb 2.26 1.02 -0.01 0.00 -1.73 0.00 0.00 68.15 69.69 1s6l h THR 61 CO 1.08 0.00 -1.15 -1.20 -0.25 0.00 0.00 175.52 174.01 1s6l n SER 62 N -2.94 0.85 -4.77 5.36 7.64 -1.26 -4.92 113.62 113.58 1s6l n SER 62 Ca -0.02 0.35 -0.41 0.00 1.01 0.00 0.00 58.87 59.80 1s6l n SER 62 Cb 0.11 0.35 0.01 0.00 -1.01 0.00 0.00 64.21 63.67 1s6l n SER 62 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1s6l n THR 63 N -2.75 2.36 -2.66 0.44 -1.04 -0.36 -4.94 114.28 105.32 1s6l n THR 63 Ca -0.03 -0.50 -0.42 0.00 -2.04 0.00 0.00 64.05 61.06 1s6l n THR 63 Cb 0.65 -1.90 -0.03 0.00 -1.82 0.00 0.00 70.33 67.23 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 -2.25 4.56 0.47 -2.82 2.12 -1.26 -5.05 118.70 114.47 1s6l s GLU 64 Ca 0.57 1.50 0.08 0.00 0.36 0.00 0.00 54.97 57.47 1s6l s GLU 64 Cb -0.47 -3.42 0.01 0.00 0.26 0.00 0.00 34.13 30.52 1s6l s GLU 64 CO 0.61 -0.03 0.48 0.71 -0.54 0.00 0.00 175.26 176.49 1s6l s TYR 65 N 0.79 2.28 -0.07 5.30 2.02 -1.26 -3.09 117.35 123.32 1s6l s TYR 65 Ca 0.52 -0.59 -0.17 0.00 -0.37 0.00 0.00 57.07 56.46 1s6l s TYR 65 Cb -0.23 -2.16 0.03 0.00 -0.40 0.00 0.00 41.96 39.20 1s6l s TYR 65 CO 0.29 -0.41 0.39 -0.51 -1.57 0.00 0.00 175.55 173.73 1s6l s ASP 66 N -4.29 -0.33 1.02 2.29 1.11 -0.78 -4.81 116.67 110.89 1s6l s ASP 66 Ca 0.49 0.41 0.00 0.00 0.18 0.00 0.00 52.55 53.63 1s6l s ASP 66 Cb -0.04 0.52 0.00 0.00 1.07 0.00 0.00 42.92 44.46 1s6l s ASP 66 CO 0.29 -0.37 0.00 1.17 1.18 0.00 0.00 175.17 177.44 1s6l n LYS 67 N 1.75 0.00 0.01 8.23 4.81 -1.26 -1.90 118.16 129.80 1s6l n LYS 67 Ca -0.18 0.00 0.12 0.00 -0.87 0.00 0.00 58.31 57.37 1s6l n LYS 67 Cb 0.56 0.00 0.23 0.00 0.02 0.00 0.00 35.03 35.84 1s6l n LYS 67 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1s6l n ASP 68 N 8.95 0.53 0.00 3.14 8.00 -1.26 -4.90 116.55 131.02 1s6l n ASP 68 Ca 0.00 -0.18 0.00 0.00 0.71 0.00 0.00 54.79 55.32 1s6l n ASP 68 Cb 0.00 0.26 0.00 0.00 -0.02 0.00 0.00 41.12 41.36 1s6l n ASP 68 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1s6l n GLY 69 N 1.47 1.84 3.95 0.44 0.00 -0.80 -5.15 105.19 106.94 1s6l n GLY 69 Ca 0.05 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.84 4.66 -0.26 1.61 0.01 -0.99 -4.69 114.94 113.43 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 -0.79 0.01 0.00 0.41 0.00 0.00 41.25 40.88 1s6l s ASN 70 CO 0.00 -1.67 1.08 -0.63 -1.51 0.00 0.00 177.10 174.37 1s6l s ILE 71 N -3.20 4.57 -0.19 0.60 1.09 -1.10 -1.86 121.20 121.11 1s6l s ILE 71 Ca 0.62 1.86 0.12 0.00 -1.10 0.00 0.00 60.65 62.15 1s6l s ILE 71 Cb -0.09 -4.33 -0.23 0.00 -1.06 0.00 0.00 42.46 36.75 1s6l s ILE 71 CO 0.44 -0.31 0.10 0.00 -0.10 0.00 0.00 174.94 175.08 1s6l n ILE 72 N 5.57 1.47 0.00 2.92 0.00 -1.18 -4.28 119.36 123.86 1s6l n ILE 72 Ca 0.12 -0.77 0.00 0.00 0.00 0.00 0.00 62.75 62.10 1s6l n ILE 72 Cb 0.46 -0.86 0.00 0.00 0.00 0.00 0.00 39.64 39.25 1s6l n ILE 72 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1s6l n GLY 73 N 1.86 -0.96 1.35 4.50 0.00 -1.26 -4.97 105.19 105.71 1s6l n GLY 73 Ca -0.34 -2.25 -0.06 0.00 0.00 0.00 0.00 46.02 43.37 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 -0.59 -0.80 -0.02 1.61 4.01 -1.26 -4.57 117.16 115.54 1s6l n TYR 74 Ca 0.00 -0.96 0.00 0.00 -0.16 0.00 0.00 57.90 56.78 1s6l n TYR 74 Cb 0.00 0.21 0.00 0.00 -0.31 0.00 0.00 39.34 39.24 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 -0.23 1.77 3.13 2.72 0.00 -1.26 -5.11 105.19 106.21 1s6l n GLY 75 Ca 0.01 -0.01 -0.11 0.00 0.00 0.00 0.00 46.02 45.90 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 0.00 1.48 0.23 0.99 1.02 -1.26 -4.39 118.68 116.75 1s6l s LEU 76 Ca 0.00 -0.24 0.06 0.00 0.02 0.00 0.00 54.13 53.97 1s6l s LEU 76 Cb 0.00 0.77 -0.03 0.00 0.02 0.00 0.00 46.19 46.95 1s6l s LEU 76 CO 0.00 -0.43 0.23 0.42 0.02 0.00 0.00 176.35 176.59 1s6l s THR 77 N -1.72 4.67 -0.49 5.49 -4.23 -1.26 -5.02 115.64 113.09 1s6l s THR 77 Ca -0.12 -1.24 -0.03 0.00 -1.18 0.00 0.00 61.69 59.12 1s6l s THR 77 Cb -0.06 -3.51 0.11 0.00 1.34 0.00 0.00 72.50 70.39 1s6l s THR 77 CO 0.00 -0.30 2.64 0.18 -0.54 0.00 0.00 174.62 176.60 1s6l n LEU 78 N -1.09 6.60 -3.65 4.79 4.77 -1.26 -4.83 117.00 122.34 1s6l n LEU 78 Ca -0.08 -4.10 -0.02 0.00 -0.03 0.00 0.00 56.01 51.78 1s6l n LEU 78 Cb 0.57 -1.20 -0.07 0.00 -2.33 0.00 0.00 43.42 40.39 1s6l n LEU 78 CO 0.44 1.70 1.11 -0.13 -1.33 0.00 0.00 177.39 179.18 1s6l s ARG 79 N -2.00 0.07 -0.00 3.23 0.52 -1.26 -5.13 118.95 114.38 1s6l s ARG 79 Ca 0.57 0.09 -0.30 0.00 -0.52 0.00 0.00 55.73 55.57 1s6l s ARG 79 Cb 0.38 0.03 -0.07 0.00 0.52 0.00 0.00 34.95 35.81 1s6l s ARG 79 CO -0.23 -0.01 1.71 -2.00 0.02 0.00 0.00 175.30 174.80 1s6l s GLU 80 N 0.29 4.18 0.28 3.54 2.12 -1.26 -4.95 118.70 122.90 1s6l s GLU 80 Ca 0.03 2.31 0.03 0.00 0.36 0.00 0.00 54.97 57.70 1s6l s GLU 80 Cb -0.04 -3.92 0.03 0.00 0.26 0.00 0.00 34.13 30.45 1s6l s GLU 80 CO -0.14 -0.84 0.22 0.25 -0.54 0.00 0.00 175.26 174.21 1s6l n THR 81 N 5.30 0.00 -0.04 -1.70 -2.24 -1.26 -5.06 114.28 109.27 1s6l n THR 81 Ca 0.17 -1.09 -0.14 0.00 -2.27 0.00 0.00 64.05 60.72 1s6l n THR 81 Cb 0.42 -0.29 -0.14 0.00 -2.10 0.00 0.00 70.33 68.21 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 -1.97 1.26 -4.59 3.42 7.64 -1.26 -4.82 113.62 113.30 1s6l n SER 82 Ca -0.00 0.22 -0.43 0.00 1.01 0.00 0.00 58.87 59.66 1s6l n SER 82 Cb 0.31 -0.19 -0.04 0.00 -1.01 0.00 0.00 64.21 63.29 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 -2.56 2.99 -0.01 1.43 1.51 -1.26 -4.57 117.35 114.88 1s6l s TYR 83 Ca -0.15 0.65 0.01 0.00 -1.01 0.00 0.00 57.07 56.57 1s6l s TYR 83 Cb 0.07 -3.86 -0.04 0.00 -0.11 0.00 0.00 41.96 38.03 1s6l s TYR 83 CO 0.78 -0.97 -0.00 0.08 -1.11 0.00 0.00 175.55 174.33 1s6l s VAL 84 N 3.70 4.16 -0.25 0.71 1.01 -0.28 -1.37 120.40 128.08 1s6l s VAL 84 Ca 0.39 -0.57 -0.02 0.00 0.00 0.00 0.00 61.98 61.79 1s6l s VAL 84 Cb -0.11 -2.84 0.08 0.00 0.00 0.00 0.00 36.38 33.51 1s6l s VAL 84 CO 0.23 0.40 0.06 0.12 0.00 0.00 0.00 175.10 175.92 1s6l s PHE 85 N -1.06 1.24 -0.16 5.22 5.36 0.08 -0.85 117.98 127.81 1s6l s PHE 85 Ca 0.19 -1.20 -0.12 0.00 -0.96 0.00 0.00 56.93 54.83 1s6l s PHE 85 Cb -0.11 -1.27 -0.05 0.00 -0.34 0.00 0.00 43.02 41.24 1s6l s PHE 85 CO 0.09 -0.74 0.24 -1.21 -1.46 0.00 0.00 175.22 172.14 1s6l s GLU 86 N 1.78 4.12 -0.03 10.12 2.02 0.37 0.14 118.70 137.22 1s6l s GLU 86 Ca 0.04 0.00 -0.01 0.00 0.02 0.00 0.00 54.97 55.02 1s6l s GLU 86 Cb -0.17 -3.38 0.03 0.00 0.10 0.00 0.00 34.13 30.71 1s6l s GLU 86 CO -0.17 0.35 0.05 0.96 0.02 0.00 0.00 175.26 176.46 1s6l s ILE 87 N 0.16 -0.09 0.00 -1.63 -4.36 0.02 0.11 121.20 115.41 1s6l s ILE 87 Ca 0.14 0.34 0.00 0.00 -0.26 0.00 0.00 60.65 60.87 1s6l s ILE 87 Cb -0.13 -0.12 0.00 0.00 1.25 0.00 0.00 42.46 43.46 1s6l s ILE 87 CO 0.03 0.14 0.00 -0.67 0.24 0.00 0.00 174.94 174.68 1s6l n ASP 88 N 4.82 0.00 -1.86 4.36 -0.08 -1.25 -1.16 116.55 121.39 1s6l n ASP 88 Ca -0.14 0.00 -0.04 0.00 -1.51 0.00 0.00 54.79 53.10 1s6l n ASP 88 Cb 0.50 0.00 0.04 0.00 2.34 0.00 0.00 41.12 44.00 1s6l n ASP 88 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 1s6l n ASP 89 N 0.44 -1.18 -3.95 1.67 2.03 -1.26 -5.12 116.55 109.18 1s6l n ASP 89 Ca 0.00 -2.02 -0.14 0.00 0.52 0.00 0.00 54.79 53.15 1s6l n ASP 89 Cb 0.00 0.48 -0.14 0.00 -0.72 0.00 0.00 41.12 40.75 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 0.07 0.29 -0.85 -0.67 1.81 -0.31 -5.10 118.95 114.19 1s6l s ARG 90 Ca 0.05 -0.24 -0.08 0.00 -1.72 0.00 0.00 55.73 53.73 1s6l s ARG 90 Cb 0.23 -0.22 0.22 0.00 -0.45 0.00 0.00 34.95 34.73 1s6l s ARG 90 CO -0.07 0.05 0.76 1.03 -0.68 0.00 0.00 175.30 176.40 1s6l s ARG 91 N -0.41 3.42 0.85 3.54 3.00 -1.26 -0.80 118.95 127.31 1s6l s ARG 91 Ca -0.02 -2.79 -0.11 0.00 0.00 0.00 0.00 55.73 52.80 1s6l s ARG 91 Cb -0.03 -4.20 0.10 0.00 0.00 0.00 0.00 34.95 30.82 1s6l s ARG 91 CO -0.00 -1.25 1.09 -1.17 0.00 0.00 0.00 175.30 173.97 1s6l s LEU 92 N -0.48 2.42 0.17 2.53 2.96 0.38 -4.85 118.68 121.81 1s6l s LEU 92 Ca 0.22 1.44 0.02 0.00 -0.22 0.00 0.00 54.13 55.59 1s6l s LEU 92 Cb -0.12 -3.94 -0.05 0.00 0.50 0.00 0.00 46.19 42.58 1s6l s LEU 92 CO -0.08 -2.37 -0.00 -0.31 -1.32 0.00 0.00 176.35 172.27 1s6l s TYR 93 N -3.01 1.19 0.20 5.38 2.02 -1.26 -0.75 117.35 121.13 1s6l s TYR 93 Ca 0.62 -1.01 -0.12 0.00 -0.37 0.00 0.00 57.07 56.19 1s6l s TYR 93 Cb -0.17 -0.68 0.00 0.00 -0.40 0.00 0.00 41.96 40.72 1s6l s TYR 93 CO 0.56 -0.21 0.41 0.00 -1.57 0.00 0.00 175.55 174.74 1s6l s ALA 94 N -3.66 -0.30 -0.22 3.71 0.00 -0.47 -4.52 121.76 116.30 1s6l s ALA 94 Ca 0.23 -0.74 0.22 0.00 0.00 0.00 0.00 51.96 51.68 1s6l s ALA 94 Cb 0.06 0.95 -0.14 0.00 0.00 0.00 0.00 23.12 23.99 1s6l s ALA 94 CO 0.04 -0.76 0.80 0.91 0.00 0.00 0.00 175.76 176.74 1s6l n TRP 95 N -0.31 0.43 -3.93 0.00 7.02 -1.26 -4.14 117.44 115.24 1s6l n TRP 95 Ca -0.06 0.12 -0.09 0.00 -1.02 0.00 0.00 57.50 56.45 1s6l n TRP 95 Cb 0.62 -0.66 -0.06 0.00 -2.42 0.00 0.00 31.31 28.79 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 2.40 1.54 0.00 0.00 0.00 -1.90 -2.24 119.26 119.06 1s6l h ALA 97 Ca -0.30 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.52 1s6l h ALA 97 Cb 1.24 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 1s6l h ALA 97 CO 0.43 -0.39 -0.54 -0.07 0.00 0.00 0.00 179.25 178.67 1s6l h LEU 98 N 0.00 0.00 -1.85 0.00 4.07 -1.95 -3.35 115.31 112.23 1s6l h LEU 98 Ca 0.05 -0.64 0.28 0.00 0.08 0.00 0.00 57.88 57.65 1s6l h LEU 98 Cb 0.73 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 42.43 1s6l h LEU 98 CO -0.00 1.14 0.82 0.44 -1.08 0.00 0.00 178.44 179.75 1s6l h ASP 99 N -1.00 0.00 -0.90 -0.43 3.32 -1.80 0.33 116.42 115.94 1s6l h ASP 99 Ca -0.14 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 56.91 1s6l h ASP 99 Cb 1.00 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.51 1s6l h ASP 99 CO -0.08 0.00 0.55 0.71 -1.72 0.00 0.00 179.24 178.70 1s6l h THR 100 N 0.00 1.24 -3.62 0.35 1.35 -1.67 -3.44 112.91 107.13 1s6l h THR 100 Ca 0.47 -0.52 -0.46 0.00 -0.55 0.00 0.00 66.41 65.35 1s6l h THR 100 Cb 2.10 -0.04 0.07 0.00 -1.73 0.00 0.00 68.15 68.55 1s6l h THR 100 CO -0.00 0.25 0.19 -0.76 -0.25 0.00 0.00 175.52 174.95 1s6l s LEU 101 N -9.96 2.97 0.00 3.87 1.43 0.12 -4.79 118.68 112.32 1s6l s LEU 101 Ca -0.12 0.49 0.00 0.00 -1.03 0.00 0.00 54.13 53.46 1s6l s LEU 101 Cb 0.17 -3.21 0.00 0.00 0.03 0.00 0.00 46.19 43.19 1s6l s LEU 101 CO 0.81 -1.41 0.00 2.30 0.23 0.00 0.00 176.35 178.29 1s6l n ILE 102 N -2.77 0.00 0.00 -0.59 -5.35 -1.26 -5.01 119.36 104.38 1s6l n ILE 102 Ca 0.07 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.55 1s6l n ILE 102 Cb 0.60 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.50 1s6l n ILE 102 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 1s6l n PHE 103 N -1.81 0.00 -0.10 4.28 3.72 -1.26 -5.03 117.46 117.26 1s6l n PHE 103 Ca 0.00 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.29 1s6l n PHE 103 Cb 0.00 0.00 0.02 0.00 -0.94 0.00 0.00 39.48 38.56 1s6l n PHE 103 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1s6l h PRO 104 N 0.00 0.86 0.00 -1.08 0.13 -1.90 0.19 132.00 130.20 1s6l h PRO 104 Ca 0.00 -0.42 -0.08 0.00 -0.87 0.00 0.00 66.00 64.64 1s6l h PRO 104 Cb 0.00 -0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.12 1s6l h PRO 104 CO 0.00 1.06 -0.37 0.00 -0.23 0.00 0.00 178.00 178.46 1s6l h ALA 105 N 0.90 0.78 0.19 -0.56 0.00 -1.79 -3.21 119.26 115.58 1s6l h ALA 105 Ca 0.07 -0.34 -0.33 0.00 0.00 0.00 0.00 54.91 54.32 1s6l h ALA 105 Cb 0.90 -0.06 0.02 0.00 0.00 0.00 0.00 17.79 18.64 1s6l h ALA 105 CO 0.08 0.46 -1.58 1.25 0.00 0.00 0.00 179.25 179.46 1s6l h LEU 106 N 0.00 0.63 -0.44 0.00 5.85 -1.91 -3.36 115.31 116.09 1s6l h LEU 106 Ca -0.00 -0.92 0.04 0.00 0.84 0.00 0.00 57.88 57.83 1s6l h LEU 106 Cb 1.22 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 42.01 1s6l h LEU 106 CO 0.05 1.72 0.21 -0.29 -0.34 0.00 0.00 178.44 179.79 1s6l h ILE 107 N 0.02 0.95 0.00 4.05 6.09 -1.04 -3.47 117.51 124.11 1s6l h ILE 107 Ca -0.31 -0.14 0.00 0.00 -1.37 0.00 0.00 64.86 63.04 1s6l h ILE 107 Cb 2.04 0.49 0.00 0.00 0.47 0.00 0.00 36.82 39.82 1s6l h ILE 107 CO 0.18 0.08 0.00 0.61 -3.07 0.00 0.00 178.15 175.95 1s6l n GLY 108 N -1.23 1.30 3.58 8.18 0.00 -1.21 -5.07 105.19 110.74 1s6l n GLY 108 Ca 0.03 -0.15 -0.11 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.86 1.75 0.51 1.61 1.81 -1.25 -5.06 118.95 117.46 1s6l s ARG 109 Ca 0.00 -1.44 -0.14 0.00 -1.72 0.00 0.00 55.73 52.43 1s6l s ARG 109 Cb 0.00 0.48 -0.07 0.00 -0.45 0.00 0.00 34.95 34.91 1s6l s ARG 109 CO 0.00 -0.74 0.95 0.99 -0.68 0.00 0.00 175.30 175.82 1s6l s THR 110 N -3.50 4.62 -0.18 0.02 2.01 -1.26 -4.32 115.64 113.02 1s6l s THR 110 Ca 0.24 1.01 -0.04 0.00 0.31 0.00 0.00 61.69 63.22 1s6l s THR 110 Cb -0.01 -3.75 0.06 0.00 0.01 0.00 0.00 72.50 68.81 1s6l s THR 110 CO 0.13 -0.74 0.06 0.00 -0.69 0.00 0.00 174.62 173.38 1s6l s ALA 111 N -2.68 0.73 -0.24 7.40 0.00 0.24 -3.88 121.76 123.33 1s6l s ALA 111 Ca 0.56 -0.51 -0.28 0.00 0.00 0.00 0.00 51.96 51.73 1s6l s ALA 111 Cb -0.10 -1.11 0.01 0.00 0.00 0.00 0.00 23.12 21.91 1s6l s ALA 111 CO 0.36 -1.17 0.99 1.03 0.00 0.00 0.00 175.76 176.96 1s6l s ARG 112 N 1.99 4.23 -0.14 0.00 0.52 0.30 0.14 118.95 126.00 1s6l s ARG 112 Ca 0.00 1.25 -0.02 0.00 -0.52 0.00 0.00 55.73 56.44 1s6l s ARG 112 Cb -0.17 -3.64 -0.02 0.00 0.52 0.00 0.00 34.95 31.64 1s6l s ARG 112 CO -0.08 -0.61 -0.09 0.08 0.02 0.00 0.00 175.30 174.61 1s6l s VAL 113 N 3.13 3.42 -0.03 3.52 1.01 0.34 0.14 120.40 131.92 1s6l s VAL 113 Ca 0.42 -0.53 0.06 0.00 0.00 0.00 0.00 61.98 61.93 1s6l s VAL 113 Cb -0.15 -2.47 -0.01 0.00 0.00 0.00 0.00 36.38 33.75 1s6l s VAL 113 CO 0.07 0.51 -0.20 -0.94 0.00 0.00 0.00 175.10 174.53 1s6l s SER 114 N 0.36 2.45 0.25 3.32 1.04 -0.02 0.13 113.70 121.23 1s6l s SER 114 Ca -0.08 -0.39 0.00 0.00 0.48 0.00 0.00 55.95 55.96 1s6l s SER 114 Cb -0.15 -0.47 -0.03 0.00 0.10 0.00 0.00 66.02 65.47 1s6l s SER 114 CO 0.04 0.22 0.22 -0.44 0.98 0.00 0.00 173.24 174.27 1s6l s SER 115 N -0.27 0.57 -0.03 7.02 0.01 0.49 -1.12 113.70 120.37 1s6l s SER 115 Ca 0.02 -1.45 0.01 0.00 1.31 0.00 0.00 55.95 55.85 1s6l s SER 115 Cb -0.10 0.46 0.01 0.00 0.21 0.00 0.00 66.02 66.60 1s6l s SER 115 CO 0.01 -0.95 -0.05 -1.00 0.41 0.00 0.00 173.24 171.65 1s6l s HIS 116 N -3.90 0.71 0.25 2.43 3.76 -1.26 0.11 115.29 117.40 1s6l s HIS 116 Ca 0.38 -0.17 -0.30 0.00 -0.15 0.00 0.00 55.06 54.81 1s6l s HIS 116 Cb 0.05 -0.57 -0.10 0.00 1.11 0.00 0.00 32.58 33.06 1s6l s HIS 116 CO 0.16 -0.13 1.48 0.00 -0.85 0.00 0.00 174.74 175.41 1s6l n ALA 118 N 2.43 2.05 0.01 0.00 0.00 -1.26 -0.69 120.51 123.05 1s6l n ALA 118 Ca 0.08 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1s6l n ALA 118 Cb 0.39 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.55 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 -1.18 3.00 0.03 0.00 0.00 -1.26 -4.81 120.51 116.29 1s6l n ALA 119 Ca 0.10 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.48 1s6l n ALA 119 Cb 0.11 0.39 -0.12 0.00 0.00 0.00 0.00 19.45 19.83 1s6l n ALA 119 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1s6l h THR 120 N 0.00 1.22 0.00 0.00 1.35 -1.95 -3.47 112.91 110.06 1s6l h THR 120 Ca 0.00 -2.96 0.00 0.00 -0.55 0.00 0.00 66.41 62.90 1s6l h THR 120 Cb 0.71 2.59 0.00 0.00 -1.73 0.00 0.00 68.15 69.72 1s6l h THR 120 CO 0.00 0.69 0.00 0.61 -0.25 0.00 0.00 175.52 176.57 1s6l n GLY 121 N 1.43 0.60 3.70 5.82 0.00 0.14 -4.93 105.19 111.96 1s6l n GLY 121 Ca -0.08 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.58 1s6l n GLY 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s6l n ALA 122 N 1.00 0.83 -2.62 4.61 0.00 -1.26 -4.34 120.51 118.73 1s6l n ALA 122 Ca 0.00 -0.05 -0.42 0.00 0.00 0.00 0.00 53.44 52.97 1s6l n ALA 122 Cb 0.05 -2.28 -0.03 0.00 0.00 0.00 0.00 19.45 17.19 1s6l n ALA 122 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1s6l s PRO 123 N -3.37 3.35 -0.00 0.00 0.05 -1.26 -1.57 135.00 132.20 1s6l s PRO 123 Ca 0.81 -0.10 -0.07 0.00 0.05 0.00 0.00 61.00 61.69 1s6l s PRO 123 Cb -0.37 -4.08 -0.05 0.00 0.05 0.00 0.00 34.50 30.05 1s6l s PRO 123 CO 0.43 -1.74 0.26 0.14 0.05 0.00 0.00 177.00 176.13 1s6l s VAL 124 N 4.76 5.32 -0.11 -0.36 -7.23 0.31 -4.65 120.40 118.43 1s6l s VAL 124 Ca 0.36 0.17 -0.14 0.00 -1.81 0.00 0.00 61.98 60.56 1s6l s VAL 124 Cb -0.10 -3.56 0.03 0.00 0.56 0.00 0.00 36.38 33.32 1s6l s VAL 124 CO 0.20 0.38 0.37 -0.94 -0.31 0.00 0.00 175.10 174.81 1s6l s SER 125 N -1.66 -0.36 0.03 4.85 1.04 0.53 0.19 113.70 118.32 1s6l s SER 125 Ca 0.27 0.62 0.00 0.00 0.48 0.00 0.00 55.95 57.32 1s6l s SER 125 Cb -0.13 0.67 -0.02 0.00 0.10 0.00 0.00 66.02 66.64 1s6l s SER 125 CO 0.15 -0.21 -0.03 -0.76 0.98 0.00 0.00 173.24 173.37 1s6l s LEU 126 N -0.16 2.28 -0.31 2.42 1.02 0.35 -1.35 118.68 122.94 1s6l s LEU 126 Ca -0.03 -0.59 -0.07 0.00 0.02 0.00 0.00 54.13 53.46 1s6l s LEU 126 Cb -0.03 0.09 0.01 0.00 0.02 0.00 0.00 46.19 46.28 1s6l s LEU 126 CO 0.02 -0.34 0.10 -0.89 0.02 0.00 0.00 176.35 175.25 1s6l s THR 127 N -1.85 4.04 -0.40 5.49 2.01 -0.58 0.13 115.64 124.47 1s6l s THR 127 Ca -0.12 -0.74 -0.17 0.00 0.31 0.00 0.00 61.69 60.97 1s6l s THR 127 Cb -0.07 -3.12 0.01 0.00 0.01 0.00 0.00 72.50 69.33 1s6l s THR 127 CO -0.02 0.02 0.45 -0.69 -0.69 0.00 0.00 174.62 173.69 1s6l s VAL 128 N 1.50 5.07 0.54 3.82 1.01 0.38 -2.28 120.40 130.45 1s6l s VAL 128 Ca 0.02 -0.13 0.07 0.00 0.00 0.00 0.00 61.98 61.93 1s6l s VAL 128 Cb -0.18 -4.00 0.05 0.00 0.00 0.00 0.00 36.38 32.25 1s6l s VAL 128 CO 0.03 -0.34 0.51 -0.94 0.00 0.00 0.00 175.10 174.36 1s6l s SER 129 N 1.80 4.80 0.52 3.32 1.04 0.71 0.81 113.70 126.70 1s6l s SER 129 Ca 0.14 -1.09 0.31 0.00 0.48 0.00 0.00 55.95 55.79 1s6l s SER 129 Cb -0.16 0.30 1.12 0.00 0.10 0.00 0.00 66.02 67.37 1s6l s SER 129 CO 0.14 -1.13 1.89 1.55 0.98 0.00 0.00 173.24 176.67 1s6l h PRO 130 N 0.61 0.00 0.00 4.02 0.13 -1.75 -3.30 132.00 131.71 1s6l h PRO 130 Ca -0.35 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.63 1s6l h PRO 130 Cb 1.30 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.40 1s6l h PRO 130 CO 0.53 0.01 -1.66 0.45 -0.23 0.00 0.00 178.00 177.09 1s6l n SER 131 N -3.10 2.49 0.00 1.44 2.88 -1.26 -4.50 113.62 111.57 1s6l n SER 131 Ca 0.01 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.55 1s6l n SER 131 Cb 0.36 0.90 0.00 0.00 -0.75 0.00 0.00 64.21 64.72 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 -2.28 -0.31 -3.66 -1.46 0.28 -1.24 -5.15 120.64 106.83 1s6l n GLU 132 Ca -0.14 0.00 -0.35 0.00 -0.16 0.00 0.00 57.16 56.51 1s6l n GLU 132 Cb 0.73 0.00 -0.05 0.00 1.43 0.00 0.00 31.44 33.54 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 5.19 -0.08 3.84 -4.36 -1.25 -0.21 121.20 121.33 1s6l s ILE 133 Ca 0.00 0.38 0.12 0.00 -0.26 0.00 0.00 60.65 60.88 1s6l s ILE 133 Cb 0.00 -3.61 0.20 0.00 1.25 0.00 0.00 42.46 40.30 1s6l s ILE 133 CO 0.00 0.38 1.10 0.00 0.24 0.00 0.00 174.94 176.66 1s6l n GLN 134 N 1.17 0.71 -2.84 0.37 1.13 -0.96 -4.92 117.38 112.03 1s6l n GLN 134 Ca -0.11 -1.99 0.00 0.00 -1.94 0.00 0.00 57.00 52.96 1s6l n GLN 134 Cb 0.53 -1.00 0.01 0.00 0.11 0.00 0.00 30.24 29.89 1s6l n GLN 134 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1s6l s ALA 135 N -1.56 -3.89 -0.31 -1.58 0.00 -1.26 -4.89 121.76 108.27 1s6l s ALA 135 Ca 0.20 0.84 -0.09 0.00 0.00 0.00 0.00 51.96 52.91 1s6l s ALA 135 Cb 0.19 -2.94 -0.01 0.00 0.00 0.00 0.00 23.12 20.37 1s6l s ALA 135 CO -0.01 -2.43 0.15 0.08 0.00 0.00 0.00 175.76 173.55 1s6l s VAL 136 N 1.70 4.56 -0.11 0.00 1.01 -1.26 -1.53 120.40 124.78 1s6l s VAL 136 Ca 0.17 -0.44 -0.05 0.00 0.00 0.00 0.00 61.98 61.67 1s6l s VAL 136 Cb 0.03 -3.33 0.06 0.00 0.00 0.00 0.00 36.38 33.14 1s6l s VAL 136 CO -0.12 0.07 0.24 -0.70 0.00 0.00 0.00 175.10 174.59 1s6l s GLU 137 N 1.61 0.16 0.69 2.72 2.12 -0.46 -3.60 118.70 121.94 1s6l s GLU 137 Ca 0.04 0.64 -0.13 0.00 0.36 0.00 0.00 54.97 55.88 1s6l s GLU 137 Cb -0.17 -0.09 0.02 0.00 0.26 0.00 0.00 34.13 34.14 1s6l s GLU 137 CO 0.06 -0.24 1.09 -2.14 -0.54 0.00 0.00 175.26 173.50 1s6l s PRO 138 N 1.92 2.69 -1.13 4.30 0.02 -1.26 -0.35 135.00 141.19 1s6l s PRO 138 Ca -0.03 1.25 -0.23 0.00 0.02 0.00 0.00 61.00 62.01 1s6l s PRO 138 Cb -0.11 -1.95 -0.11 0.00 0.02 0.00 0.00 34.50 32.35 1s6l s PRO 138 CO -0.08 -1.31 1.94 0.00 -0.33 0.00 0.00 177.00 177.22 1s6l n ALA 139 N -2.80 1.79 0.00 -1.55 0.00 -1.24 -2.08 120.51 114.63 1s6l n ALA 139 Ca 0.09 -2.97 0.00 0.00 0.00 0.00 0.00 53.44 50.56 1s6l n ALA 139 Cb 0.53 -3.48 0.00 0.00 0.00 0.00 0.00 19.45 16.49 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 5.70 -0.07 3.62 0.00 0.00 -1.26 -5.15 105.19 108.03 1s6l n GLY 140 Ca 0.45 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.14 1s6l n GLY 140 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1s6l n MET 141 N 0.00 0.04 -4.22 1.61 3.85 -0.88 -3.82 117.12 113.70 1s6l n MET 141 Ca 0.00 0.08 -0.19 0.00 -1.00 0.00 0.00 57.70 56.60 1s6l n MET 141 Cb 0.00 -2.27 -0.12 0.00 -1.05 0.00 0.00 33.22 29.78 1s6l n MET 141 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1s6l s ALA 142 N -2.21 1.39 0.13 3.17 0.00 0.32 -3.15 121.76 121.41 1s6l s ALA 142 Ca 0.69 -1.16 0.09 0.00 0.00 0.00 0.00 51.96 51.57 1s6l s ALA 142 Cb -0.28 -0.10 -0.04 0.00 0.00 0.00 0.00 23.12 22.70 1s6l s ALA 142 CO 0.55 0.16 -0.15 0.08 0.00 0.00 0.00 175.76 176.40 1s6l s VAL 143 N -1.68 3.00 -0.01 0.00 1.01 0.29 0.30 120.40 123.31 1s6l s VAL 143 Ca 0.04 -1.51 0.06 0.00 0.00 0.00 0.00 61.98 60.57 1s6l s VAL 143 Cb -0.08 -2.41 -0.03 0.00 0.00 0.00 0.00 36.38 33.87 1s6l s VAL 143 CO 0.03 0.05 -0.20 -0.94 0.00 0.00 0.00 175.10 174.04 1s6l s SER 144 N -2.31 3.61 0.30 3.32 1.04 0.29 0.52 113.70 120.47 1s6l s SER 144 Ca 0.20 -0.36 0.04 0.00 0.48 0.00 0.00 55.95 56.32 1s6l s SER 144 Cb -0.10 -0.60 -0.03 0.00 0.10 0.00 0.00 66.02 65.39 1s6l s SER 144 CO 0.12 0.31 0.21 -0.76 0.98 0.00 0.00 173.24 174.10 1s6l s LEU 145 N -0.89 1.63 -0.14 2.42 1.02 0.21 -2.45 118.68 120.48 1s6l s LEU 145 Ca 0.12 -1.63 0.00 0.00 0.02 0.00 0.00 54.13 52.64 1s6l s LEU 145 Cb -0.10 0.38 0.02 0.00 0.02 0.00 0.00 46.19 46.51 1s6l s LEU 145 CO 0.01 -0.96 -0.14 0.68 0.02 0.00 0.00 176.35 175.96 1s6l s VAL 146 N -3.61 1.52 0.06 -1.59 -7.23 -1.26 0.02 120.40 108.31 1s6l s VAL 146 Ca 0.38 -0.60 -0.30 0.00 -1.81 0.00 0.00 61.98 59.65 1s6l s VAL 146 Cb 0.04 -1.43 -0.15 0.00 0.56 0.00 0.00 36.38 35.39 1s6l s VAL 146 CO 0.21 0.45 1.46 -0.07 -0.31 0.00 0.00 175.10 176.84 1s6l h LEU 147 N 8.05 -1.05 0.00 1.32 4.07 -1.88 -3.45 115.31 122.36 1s6l h LEU 147 Ca -0.37 0.06 0.00 0.00 0.08 0.00 0.00 57.88 57.65 1s6l h LEU 147 Cb 1.14 0.32 0.00 0.00 1.08 0.00 0.00 40.66 43.19 1s6l h LEU 147 CO 0.52 -0.61 0.00 -0.81 -1.08 0.00 0.00 178.44 176.46 1s6l n PRO 148 N -4.96 -0.25 -3.43 1.13 -0.04 -1.26 -5.07 135.00 121.11 1s6l n PRO 148 Ca -0.12 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.34 1s6l n PRO 148 Cb 0.41 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.83 1s6l n PRO 148 CO 0.00 0.00 0.00 1.14 -0.04 0.00 0.00 175.50 176.60 1s6l s GLN 149 N -2.45 0.53 0.00 0.54 0.00 -1.26 -4.88 119.66 112.14 1s6l s GLN 149 Ca 0.00 1.17 -0.02 0.00 -0.00 0.00 0.00 55.36 56.51 1s6l s GLN 149 Cb 0.00 0.59 -0.01 0.00 0.00 0.00 0.00 33.01 33.59 1s6l s GLN 149 CO 0.00 -0.41 0.03 -2.00 0.00 0.00 0.00 175.29 172.91 1s6l s GLU 150 N 2.83 0.25 -1.73 9.60 2.12 -1.26 -4.84 118.70 125.66 1s6l s GLU 150 Ca 0.07 -0.33 -0.01 0.00 0.36 0.00 0.00 54.97 55.06 1s6l s GLU 150 Cb -0.13 0.10 0.00 0.00 0.26 0.00 0.00 34.13 34.35 1s6l s GLU 150 CO -0.19 -0.05 0.15 0.00 -0.54 0.00 0.00 175.26 174.63 1s6l n ALA 151 N 2.10 -0.70 -3.39 6.30 0.00 -1.26 -4.93 120.51 118.64 1s6l n ALA 151 Ca -0.19 0.20 -0.41 0.00 0.00 0.00 0.00 53.44 53.04 1s6l n ALA 151 Cb 0.57 -2.61 -0.02 0.00 0.00 0.00 0.00 19.45 17.39 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 -2.38 4.23 -3.62 0.00 0.00 -1.26 -4.92 120.51 112.57 1s6l n ALA 152 Ca -0.22 -4.67 -0.28 0.00 0.00 0.00 0.00 53.44 48.27 1s6l n ALA 152 Cb 0.67 -2.11 -0.11 0.00 0.00 0.00 0.00 19.45 17.90 1s6l n ALA 152 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1s6l s ASP 153 N 0.12 2.99 0.00 0.00 2.15 -1.26 -4.80 116.67 115.88 1s6l s ASP 153 Ca 0.30 -3.20 0.00 0.00 0.43 0.00 0.00 52.55 50.09 1s6l s ASP 153 Cb -0.05 -0.93 0.00 0.00 -0.30 0.00 0.00 42.92 41.64 1s6l s ASP 153 CO -0.06 -0.17 0.00 0.55 -0.17 0.00 0.00 175.17 175.32 1s6l n VAL 154 N 2.75 0.00 0.02 1.11 3.14 -1.26 -5.07 118.33 119.03 1s6l n VAL 154 Ca 0.22 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.60 1s6l n VAL 154 Cb 0.41 -0.70 0.00 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 -2.45 0.00 -1.47 1.45 1.74 -1.26 -5.00 116.66 109.66 1s6l n ARG 155 Ca 0.00 0.00 -0.04 0.00 -0.77 0.00 0.00 57.85 57.04 1s6l n ARG 155 Cb 0.30 0.00 0.01 0.00 -1.02 0.00 0.00 32.46 31.75 1s6l n ARG 155 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1s6l n GLN 156 N -2.46 0.41 -2.27 5.56 10.64 -1.26 -5.12 117.38 122.87 1s6l n GLN 156 Ca 0.00 -0.78 -0.42 0.00 -1.83 0.00 0.00 57.00 53.97 1s6l n GLN 156 Cb 0.00 0.42 -0.03 0.00 -0.86 0.00 0.00 30.24 29.77 1s6l n GLN 156 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.06 173.69 1s6l s SER 157 N -0.76 6.88 0.00 2.61 1.04 -1.26 -4.96 113.70 117.25 1s6l s SER 157 Ca 0.03 2.01 0.00 0.00 0.48 0.00 0.00 55.95 58.47 1s6l s SER 157 Cb 0.13 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.70 1s6l s SER 157 CO -0.04 -0.73 0.00 0.49 0.98 0.00 0.00 173.24 173.94 1s6l n PHE 158 N 5.76 0.00 -0.00 5.02 3.72 -1.26 -4.67 117.46 126.03 1s6l n PHE 158 Ca 0.13 0.00 -0.17 0.00 -0.05 0.00 0.00 57.45 57.36 1s6l n PHE 158 Cb 0.44 -0.27 -0.12 0.00 -0.94 0.00 0.00 39.48 38.59 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 -2.01 -2.85 -4.05 0.00 -0.00 -1.26 -5.12 115.22 99.93 1s6l n HIS 161 Ca 0.00 -2.11 -0.34 0.00 0.46 0.00 0.00 57.72 55.73 1s6l n HIS 161 Cb 0.00 1.50 -0.15 0.00 -0.12 0.00 0.00 29.99 31.23 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 0.26 2.92 0.34 3.57 0.11 -1.26 -4.42 120.40 121.92 1s6l s VAL 162 Ca 0.26 -0.65 0.05 0.00 -2.93 0.00 0.00 61.98 58.71 1s6l s VAL 162 Cb 0.27 -2.29 -0.07 0.00 -1.53 0.00 0.00 36.38 32.76 1s6l s VAL 162 CO -0.11 0.47 0.03 -1.00 -3.33 0.00 0.00 175.10 171.16 1s6l s HIS 163 N 1.32 2.11 -0.14 1.54 3.76 -1.02 -3.02 115.29 119.84 1s6l s HIS 163 Ca 0.04 -0.85 -0.01 0.00 -0.15 0.00 0.00 55.06 54.09 1s6l s HIS 163 Cb -0.14 -1.39 -0.02 0.00 1.11 0.00 0.00 32.58 32.14 1s6l s HIS 163 CO -0.06 0.16 -0.11 -0.06 -0.85 0.00 0.00 174.74 173.83 1s6l s PHE 164 N -3.10 2.86 -0.06 1.40 0.40 -1.26 0.10 117.98 118.31 1s6l s PHE 164 Ca 0.35 -0.58 -0.00 0.00 -0.60 0.00 0.00 56.93 56.10 1s6l s PHE 164 Cb 0.08 -1.87 -0.03 0.00 0.51 0.00 0.00 43.02 41.71 1s6l s PHE 164 CO 0.16 -0.18 -0.03 -0.06 0.70 0.00 0.00 175.22 175.80 1s6l s PHE 165 N 0.38 3.05 0.59 0.36 0.40 0.88 -3.61 117.98 120.03 1s6l s PHE 165 Ca -0.09 0.10 0.30 0.00 -0.60 0.00 0.00 56.93 56.64 1s6l s PHE 165 Cb -0.16 -1.73 1.35 0.00 0.51 0.00 0.00 43.02 42.99 1s6l s PHE 165 CO 0.05 0.41 1.72 0.00 0.70 0.00 0.00 175.22 178.10 1s6l h ALA 166 N 5.06 2.53 -2.60 5.36 0.00 -1.90 0.91 119.26 128.62 1s6l h ALA 166 Ca -0.50 -0.03 0.13 0.00 0.00 0.00 0.00 54.91 54.52 1s6l h ALA 166 Cb 1.18 0.05 -0.07 0.00 0.00 0.00 0.00 17.79 18.95 1s6l h ALA 166 CO 0.54 -1.12 0.38 0.45 0.00 0.00 0.00 179.25 179.50 1s6l s SER 167 N -4.69 -0.22 0.25 0.00 0.15 -1.26 -3.48 113.70 104.44 1s6l s SER 167 Ca -0.04 -0.47 0.01 0.00 0.70 0.00 0.00 55.95 56.15 1s6l s SER 167 Cb 0.16 0.58 0.30 0.00 -1.71 0.00 0.00 66.02 65.35 1s6l s SER 167 CO 0.56 -1.07 1.64 0.58 1.20 0.00 0.00 173.24 176.16 1s6l h VAL 168 N 2.00 1.29 -0.17 4.45 2.07 -1.85 0.82 116.25 124.86 1s6l h VAL 168 Ca -0.22 -1.48 -0.18 0.00 0.82 0.00 0.00 66.70 65.64 1s6l h VAL 168 Cb 1.24 1.50 -0.00 0.00 -1.52 0.00 0.00 31.29 32.51 1s6l h VAL 168 CO 0.25 0.46 -0.64 -0.65 0.02 0.00 0.00 177.57 177.02 1s6l h PRO 169 N 0.43 0.62 0.00 1.57 0.11 -1.95 0.99 132.00 133.77 1s6l h PRO 169 Ca 0.05 -0.44 -0.24 0.00 0.11 0.00 0.00 66.00 65.48 1s6l h PRO 169 Cb 0.82 0.07 0.02 0.00 0.11 0.00 0.00 31.00 32.02 1s6l h PRO 169 CO 0.07 1.06 -0.92 1.15 -0.21 0.00 0.00 178.00 179.14 1s6l h THR 170 N 0.46 1.32 -0.40 -1.15 2.02 -1.93 5.36 112.91 118.59 1s6l h THR 170 Ca -0.01 -2.20 -0.01 0.00 0.77 0.00 0.00 66.41 64.96 1s6l h THR 170 Cb 1.22 2.45 -0.02 0.00 -1.74 0.00 0.00 68.15 70.06 1s6l h THR 170 CO 0.12 0.67 0.21 0.00 0.37 0.00 0.00 175.52 176.90 1s6l h ALA 171 N 0.37 0.51 0.00 6.16 0.00 0.74 1.04 119.26 128.08 1s6l h ALA 171 Ca -0.12 -0.09 -0.16 0.00 0.00 0.00 0.00 54.91 54.55 1s6l h ALA 171 Cb 1.60 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 19.20 1s6l h ALA 171 CO 0.18 0.04 -0.75 0.93 0.00 0.00 0.00 179.25 179.66 1s6l h GLU 172 N 0.51 0.00 0.28 0.00 5.08 0.11 0.18 114.58 120.74 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 0.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.32 1s6l h GLU 172 CO -0.02 0.75 -0.13 0.22 -1.00 0.00 0.00 179.01 178.82 1s6l h ASP 173 N 0.00 -0.32 0.27 1.42 1.82 1.16 -0.95 116.42 119.82 1s6l h ASP 173 Ca -0.01 -0.21 -0.04 0.00 -0.39 0.00 0.00 57.03 56.38 1s6l h ASP 173 Cb 1.51 0.08 -0.01 0.00 0.68 0.00 0.00 39.33 41.60 1s6l h ASP 173 CO 0.10 0.15 -0.21 -0.25 -1.61 0.00 0.00 179.24 177.42 1s6l h TRP 174 N -0.92 0.00 -0.84 0.28 2.91 0.99 -1.69 115.95 116.69 1s6l h TRP 174 Ca -0.04 0.00 -0.01 0.00 1.13 0.00 0.00 58.89 59.97 1s6l h TRP 174 Cb 0.51 0.00 -0.04 0.00 -0.51 0.00 0.00 29.16 29.12 1s6l h TRP 174 CO 0.05 0.21 0.49 0.00 -1.03 0.00 0.00 178.44 178.15 1s6l h ALA 175 N 1.79 1.07 -0.63 2.65 0.00 -0.83 -0.79 119.26 122.52 1s6l h ALA 175 Ca -0.00 -0.11 0.11 0.00 0.00 0.00 0.00 54.91 54.91 1s6l h ALA 175 Cb 0.41 -0.34 -0.08 0.00 0.00 0.00 0.00 17.79 17.77 1s6l h ALA 175 CO 0.03 0.56 0.18 0.77 0.00 0.00 0.00 179.25 180.79 1s6l h SER 176 N 1.16 0.10 -0.73 0.00 0.02 -0.18 0.27 113.55 114.18 1s6l h SER 176 Ca 0.30 0.10 -0.26 0.00 -0.84 0.00 0.00 61.79 61.09 1s6l h SER 176 Cb -0.01 0.12 -0.16 0.00 0.14 0.00 0.00 62.40 62.49 1s6l h SER 176 CO -0.05 0.05 0.33 0.29 -1.14 0.00 0.00 176.83 176.31 1s6l n LYS 177 N -5.08 3.20 -1.74 3.45 4.76 -0.91 -4.08 118.16 117.76 1s6l n LYS 177 Ca 0.10 -2.78 -0.02 0.00 -2.87 0.00 0.00 58.31 52.73 1s6l n LYS 177 Cb 0.33 -2.12 0.01 0.00 -1.84 0.00 0.00 35.03 31.41 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 -0.30 -0.33 0.39 2.13 -0.00 0.68 -4.90 115.22 112.89 1s6l n HIS 178 Ca 0.41 -1.00 0.11 0.00 0.46 0.00 0.00 57.72 57.70 1s6l n HIS 178 Cb 1.37 0.52 -0.14 0.00 -0.12 0.00 0.00 29.99 31.61 1s6l n HIS 178 CO 0.00 0.00 0.00 1.04 0.46 0.00 0.00 176.34 177.84 1s6l n GLN 179 N -0.33 0.40 0.34 1.57 6.02 0.35 -4.28 117.38 121.44 1s6l n GLN 179 Ca -0.14 -0.12 0.20 0.00 -0.01 0.00 0.00 57.00 56.93 1s6l n GLN 179 Cb 0.86 -1.52 1.05 0.00 1.02 0.00 0.00 30.24 31.64 1s6l n GLN 179 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.06 176.83 1s6l h GLY 180 N 4.40 0.00 -6.76 1.08 0.00 -1.85 -1.10 103.07 98.82 1s6l h GLY 180 Ca 0.00 0.00 -0.57 0.00 0.00 0.00 0.00 47.33 46.76 1s6l h GLY 180 CO 0.00 0.00 1.78 1.04 0.00 0.00 0.00 176.54 179.36 1s6l n LEU 181 N -2.99 2.90 -2.26 3.11 4.77 -1.26 -3.97 117.00 117.31 1s6l n LEU 181 Ca -0.03 -2.47 -0.15 0.00 -0.03 0.00 0.00 56.01 53.34 1s6l n LEU 181 Cb 0.20 -1.01 -0.02 0.00 -2.33 0.00 0.00 43.42 40.26 1s6l n LEU 181 CO 0.17 -1.17 -0.19 -0.62 -1.33 0.00 0.00 177.39 174.25 1s6l n GLU 182 N 7.49 -1.93 0.00 3.23 -0.58 -1.26 -2.79 120.64 124.80 1s6l n GLU 182 Ca 0.48 0.76 0.00 0.00 -0.42 0.00 0.00 57.16 57.98 1s6l n GLU 182 Cb 0.42 -5.32 0.00 0.00 -0.57 0.00 0.00 31.44 25.97 1s6l n GLU 182 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1s6l n GLY 183 N -0.77 2.12 1.42 0.62 0.00 -0.42 -4.43 105.19 103.72 1s6l n GLY 183 Ca -0.17 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.20 1s6l n GLY 183 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1s6l n LEU 184 N 0.00 -1.66 -3.94 0.99 7.94 -1.12 -4.51 117.00 114.70 1s6l n LEU 184 Ca 0.00 2.62 -0.10 0.00 -1.11 0.00 0.00 56.01 57.42 1s6l n LEU 184 Cb 0.00 -2.69 -0.11 0.00 0.53 0.00 0.00 43.42 41.15 1s6l n LEU 184 CO 0.00 -0.44 -0.30 0.00 -1.11 0.00 0.00 177.39 175.54 1s6l s ALA 185 N -4.78 -0.04 0.28 1.96 0.00 0.10 -4.84 121.76 114.44 1s6l s ALA 185 Ca 0.00 -0.38 0.06 0.00 0.00 0.00 0.00 51.96 51.64 1s6l s ALA 185 Cb 0.00 0.12 -0.03 0.00 0.00 0.00 0.00 23.12 23.21 1s6l s ALA 185 CO 0.00 -0.16 0.31 0.42 0.00 0.00 0.00 175.76 176.33 1s6l s ILE 186 N -1.29 4.51 0.08 0.00 -1.09 -1.26 0.65 121.20 122.80 1s6l s ILE 186 Ca -0.14 -1.19 -0.23 0.00 -2.23 0.00 0.00 60.65 56.87 1s6l s ILE 186 Cb -0.08 -3.52 0.06 0.00 -1.58 0.00 0.00 42.46 37.33 1s6l s ILE 186 CO -0.00 -0.28 0.55 0.68 -1.23 0.00 0.00 174.94 174.65 1s6l s VAL 187 N -2.12 0.02 -0.19 2.92 -7.23 0.18 -4.91 120.40 109.08 1s6l s VAL 187 Ca 0.37 -0.18 -0.27 0.00 -1.81 0.00 0.00 61.98 60.09 1s6l s VAL 187 Cb -0.08 -1.01 -0.01 0.00 0.56 0.00 0.00 36.38 35.84 1s6l s VAL 187 CO 0.28 -0.10 0.92 -0.44 -0.31 0.00 0.00 175.10 175.44 1s6l s SER 188 N -2.26 7.01 0.56 4.85 0.01 -1.26 0.10 113.70 122.72 1s6l s SER 188 Ca -0.03 1.25 0.46 0.00 1.31 0.00 0.00 55.95 58.95 1s6l s SER 188 Cb -0.00 -2.49 1.63 0.00 0.21 0.00 0.00 66.02 65.36 1s6l s SER 188 CO -0.06 -0.51 1.58 0.58 0.41 0.00 0.00 173.24 175.24 1s6l h VAL 189 N 5.30 0.06 -0.28 3.43 2.07 -1.86 2.42 116.25 127.39 1s6l h VAL 189 Ca -0.25 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.24 1s6l h VAL 189 Cb 1.11 0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.93 1s6l h VAL 189 CO 0.89 0.00 0.07 -0.74 0.02 0.00 0.00 177.57 177.81 1s6l h HIS 190 N 0.00 0.47 0.00 1.57 -0.00 -1.90 -0.18 115.15 115.10 1s6l h HIS 190 Ca 0.84 -0.05 -0.02 0.00 -0.00 0.00 0.00 60.37 61.13 1s6l h HIS 190 Cb 3.47 -0.13 -0.00 0.00 -0.00 0.00 0.00 27.41 30.75 1s6l h HIS 190 CO 0.00 0.51 -0.29 0.93 -0.00 0.00 0.00 177.93 179.08 1s6l h GLU 191 N 0.29 0.00 0.00 5.26 5.08 0.31 -3.21 114.58 122.31 1s6l h GLU 191 Ca 0.09 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.37 1s6l h GLU 191 Cb 0.28 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 1s6l h GLU 191 CO 0.00 0.07 -0.38 0.00 -1.00 0.00 0.00 179.01 177.71 1s6l h ALA 192 N 1.92 0.96 0.00 3.43 0.00 0.17 -1.82 119.26 123.92 1s6l h ALA 192 Ca -0.01 -0.34 -0.11 0.00 0.00 0.00 0.00 54.91 54.45 1s6l h ALA 192 Cb 1.07 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 1s6l h ALA 192 CO 0.01 0.47 -0.63 0.35 0.00 0.00 0.00 179.25 179.45 1s6l h PHE 193 N 0.00 0.00 0.00 0.00 3.57 -1.05 -1.84 116.94 117.63 1s6l h PHE 193 Ca -0.00 0.00 -0.19 0.00 3.53 0.00 0.00 57.97 61.30 1s6l h PHE 193 Cb 0.94 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.65 1s6l h PHE 193 CO 0.00 0.49 -1.04 0.78 -2.23 0.00 0.00 178.31 176.32 1s6l h GLY 194 N 3.55 0.00 1.79 2.40 0.00 -1.54 0.34 103.07 109.61 1s6l h GLY 194 Ca -0.03 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 -0.99 -2.00 0.00 0.00 0.00 176.54 173.61 1s6l h LEU 195 N 0.00 0.00 0.00 3.11 5.85 -1.38 -2.41 115.31 120.48 1s6l h LEU 195 Ca -0.07 0.00 -0.22 0.00 0.84 0.00 0.00 57.88 58.43 1s6l h LEU 195 Cb 1.69 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 42.69 1s6l h LEU 195 CO 0.10 0.84 -1.25 1.23 -0.34 0.00 0.00 178.44 179.01 1s6l h GLY 196 N 3.25 0.00 2.00 3.75 0.00 -1.33 -3.27 103.07 107.47 1s6l h GLY 196 Ca -0.05 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.24 1s6l h GLY 196 CO 0.10 0.00 -0.16 1.46 0.00 0.00 0.00 176.54 177.94 1s6l h GLN 197 N 0.00 0.00 0.00 4.80 1.08 -0.33 -3.07 115.11 117.59 1s6l h GLN 197 Ca -0.13 0.00 -0.06 0.00 -1.45 0.00 0.00 58.65 57.01 1s6l h GLN 197 Cb 1.79 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 29.21 1s6l h GLN 197 CO 0.09 0.16 -0.38 0.93 -0.95 0.00 0.00 178.83 178.68 1s6l h GLU 198 N 0.00 0.00 -0.96 1.46 5.08 -1.49 -3.30 114.58 115.37 1s6l h GLU 198 Ca -0.00 0.00 0.19 0.00 -1.00 0.00 0.00 59.36 58.55 1s6l h GLU 198 Cb 0.93 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 30.10 1s6l h GLU 198 CO 0.02 0.27 0.61 0.74 -1.00 0.00 0.00 179.01 179.65 1s6l h PHE 199 N 0.00 0.81 0.45 4.33 -1.00 -1.58 0.07 116.94 120.02 1s6l h PHE 199 Ca -0.01 0.03 -0.02 0.00 2.81 0.00 0.00 57.97 60.78 1s6l h PHE 199 Cb 1.23 -0.25 -0.00 0.00 3.61 0.00 0.00 35.95 40.54 1s6l h PHE 199 CO 0.00 0.21 -0.26 -0.91 -1.61 0.00 0.00 178.31 175.73 1s6l h ASN 200 N 0.60 -0.65 0.34 2.17 2.35 -1.76 -2.44 115.58 116.20 1s6l h ASN 200 Ca 0.52 0.04 -0.04 0.00 -0.55 0.00 0.00 56.30 56.27 1s6l h ASN 200 Cb 1.01 0.19 -0.01 0.00 0.05 0.00 0.00 38.32 39.57 1s6l h ASN 200 CO -0.27 -0.42 -0.19 0.03 -1.65 0.00 0.00 177.43 174.93 1s6l h ARG 201 N -0.67 0.00 -0.78 0.81 -0.00 -1.55 -2.64 114.38 109.55 1s6l h ARG 201 Ca -0.05 0.00 0.13 0.00 -0.50 0.00 0.00 59.98 59.55 1s6l h ARG 201 Cb 0.55 0.00 -0.05 0.00 0.00 0.00 0.00 29.97 30.46 1s6l h ARG 201 CO 0.06 0.19 0.51 1.25 0.00 0.00 0.00 179.97 181.98 1s6l h HIS 202 N 0.00 0.65 0.00 3.04 2.76 -0.51 0.64 115.15 121.73 1s6l h HIS 202 Ca -0.00 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.17 1s6l h HIS 202 Cb 0.41 -0.21 -0.00 0.00 1.55 0.00 0.00 27.41 29.16 1s6l h HIS 202 CO 0.00 0.27 -0.07 -0.07 -1.30 0.00 0.00 177.93 176.76 1s6l h LEU 203 N 0.58 0.00 0.07 0.26 -0.00 -1.40 -3.37 115.31 111.46 1s6l h LEU 203 Ca 0.38 -0.96 -0.00 0.00 -0.00 0.00 0.00 57.88 57.30 1s6l h LEU 203 Cb 0.66 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.32 1s6l h LEU 203 CO -0.14 1.02 -0.04 0.25 -0.00 0.00 0.00 178.44 179.53 1s6l h LEU 204 N -1.00 -0.10 0.00 1.67 5.85 -1.40 -3.46 115.31 116.87 1s6l h LEU 204 Ca -0.02 0.01 -0.23 0.00 0.84 0.00 0.00 57.88 58.48 1s6l h LEU 204 Cb 1.00 0.03 -0.06 0.00 0.37 0.00 0.00 40.66 42.00 1s6l h LEU 204 CO -0.01 -0.07 -0.22 0.00 -0.34 0.00 0.00 178.44 177.80 1s6l n GLN 205 N -5.14 0.24 -4.36 1.25 6.02 0.22 -5.10 117.38 110.50 1s6l n GLN 205 Ca -0.08 -1.59 -0.18 0.00 -0.01 0.00 0.00 57.00 55.14 1s6l n GLN 205 Cb 0.07 1.27 -0.10 0.00 1.02 0.00 0.00 30.24 32.50 1s6l n GLN 205 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1s6l s THR 206 N -2.61 1.07 -1.13 5.09 -4.23 -1.26 -3.76 115.64 108.80 1s6l s THR 206 Ca 0.18 -2.03 -0.25 0.00 -1.18 0.00 0.00 61.69 58.41 1s6l s THR 206 Cb 0.01 -2.47 -0.16 0.00 1.34 0.00 0.00 72.50 71.22 1s6l s THR 206 CO 0.13 -0.23 2.02 1.15 -0.54 0.00 0.00 174.62 177.15 1s6l n MET 207 N -0.49 0.91 -3.46 3.99 0.00 -1.26 -4.85 117.12 111.96 1s6l n MET 207 Ca -0.04 -2.11 -0.43 0.00 0.00 0.00 0.00 57.70 55.12 1s6l n MET 207 Cb 0.65 -3.82 -0.06 0.00 0.00 0.00 0.00 33.22 29.98 1s6l n MET 207 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 175.97 174.43 1s6l s SER 208 N 7.41 6.03 0.97 3.17 1.04 -1.26 -5.07 113.70 125.99 1s6l s SER 208 Ca 0.74 -2.23 -0.14 0.00 0.48 0.00 0.00 55.95 54.80 1s6l s SER 208 Cb -0.02 -2.09 0.18 0.00 0.10 0.00 0.00 66.02 64.19 1s6l s SER 208 CO 0.16 -0.65 1.16 -0.44 0.98 0.00 0.00 173.24 174.45 1s6l s SER 209 N 2.46 2.95 0.38 7.02 0.01 -1.26 -5.10 113.70 120.16 1s6l s SER 209 Ca 0.10 0.79 0.04 0.00 1.31 0.00 0.00 55.95 58.19 1s6l s SER 209 Cb -0.22 -1.21 -0.02 0.00 0.21 0.00 0.00 66.02 64.78 1s6l s SER 209 CO -0.02 -2.88 0.15 0.54 0.41 0.00 0.00 173.24 171.43 1s6l n ARG 210 N -3.96 0.58 0.03 12.44 5.12 -1.26 -5.07 116.66 124.54 1s6l n ARG 210 Ca 0.09 -3.24 0.00 0.00 -1.93 0.00 0.00 57.85 52.78 1s6l n ARG 210 Cb 0.59 1.85 0.00 0.00 -1.16 0.00 0.00 32.46 33.74 1s6l n ARG 210 CO 0.00 0.00 0.00 2.41 -1.93 0.00 0.00 177.63 178.11 1s6l n THR 211 N -0.84 0.00 0.00 0.55 -1.04 -1.26 -5.35 114.28 106.34 1s6l n THR 211 Ca -0.04 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.97 1s6l n THR 211 Cb 0.58 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.09 1s6l n THR 211 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62