#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 5.30 0.31 0.00 1.11 -1.26 -5.14 116.67 117.00 1s6l s ASP 22 Ca 0.00 -0.69 0.06 0.00 0.18 0.00 0.00 52.55 52.10 1s6l s ASP 22 Cb 0.00 -0.06 -0.02 0.00 1.07 0.00 0.00 42.92 43.91 1s6l s ASP 22 CO 0.00 -1.12 0.23 0.18 1.18 0.00 0.00 175.17 175.64 1s6l n LEU 23 N -2.09 0.00 -1.24 1.23 4.77 -1.26 -5.08 117.00 113.33 1s6l n LEU 23 Ca 0.13 -2.84 -0.05 0.00 -0.03 0.00 0.00 56.01 53.22 1s6l n LEU 23 Cb 0.61 1.38 -0.04 0.00 -2.33 0.00 0.00 43.42 43.04 1s6l n LEU 23 CO 0.40 -0.46 0.32 0.00 -1.33 0.00 0.00 177.39 176.31 1s6l n LEU 24 N 0.00 -0.67 -2.91 2.23 -0.00 -1.26 -5.01 117.00 109.39 1s6l n LEU 24 Ca 0.04 -2.11 -0.14 0.00 -0.00 0.00 0.00 56.01 53.81 1s6l n LEU 24 Cb 0.55 0.01 0.01 0.00 -0.00 0.00 0.00 43.42 43.99 1s6l n LEU 24 CO 0.28 1.35 0.02 1.33 -0.00 0.00 0.00 177.39 180.37 1s6l n VAL 25 N -0.05 -0.25 0.19 1.47 0.24 -1.26 -4.98 118.33 113.69 1s6l n VAL 25 Ca -0.21 -2.39 0.05 0.00 -2.04 0.00 0.00 64.34 59.75 1s6l n VAL 25 Cb 0.79 0.26 0.34 0.00 -1.47 0.00 0.00 33.84 33.76 1s6l n VAL 25 CO 0.00 0.00 0.00 1.55 -2.14 0.00 0.00 176.83 176.24 1s6l h PRO 26 N 4.02 0.00 0.25 7.34 0.13 -1.99 -3.22 132.00 138.53 1s6l h PRO 26 Ca -0.07 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 65.07 1s6l h PRO 26 Cb 0.98 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.07 1s6l h PRO 26 CO 0.37 0.38 -0.41 -0.07 -0.23 0.00 0.00 178.00 178.04 1s6l h LEU 27 N 0.00 -1.16 -1.94 1.56 4.07 -1.98 0.13 115.31 115.99 1s6l h LEU 27 Ca -0.00 0.12 -0.02 0.00 0.08 0.00 0.00 57.88 58.05 1s6l h LEU 27 Cb 0.88 0.41 -0.00 0.00 1.08 0.00 0.00 40.66 43.03 1s6l h LEU 27 CO 0.05 -0.51 -0.11 -0.07 -1.08 0.00 0.00 178.44 176.71 1s6l h LEU 28 N -0.73 0.00 0.19 1.67 3.38 -1.96 0.85 115.31 118.71 1s6l h LEU 28 Ca -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1s6l h LEU 28 Cb 0.70 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.45 1s6l h LEU 28 CO -0.16 0.11 -0.09 0.03 0.09 0.00 0.00 178.44 178.42 1s6l h ARG 29 N 0.00 -0.24 -0.02 1.13 2.47 -1.28 0.89 114.38 117.33 1s6l h ARG 29 Ca -0.00 0.02 -0.14 0.00 -1.26 0.00 0.00 59.98 58.60 1s6l h ARG 29 Cb 0.24 0.06 -0.02 0.00 -1.65 0.00 0.00 29.97 28.60 1s6l h ARG 29 CO 0.01 0.13 -0.64 0.93 0.56 0.00 0.00 179.97 180.97 1s6l h GLU 30 N -0.69 0.06 -0.01 0.04 3.07 -0.54 -3.07 114.58 113.45 1s6l h GLU 30 Ca -0.03 -0.05 -0.00 0.00 -0.50 0.00 0.00 59.36 58.78 1s6l h GLU 30 Cb 0.49 0.01 -0.00 0.00 -0.84 0.00 0.00 28.75 28.40 1s6l h GLU 30 CO 0.04 0.68 -0.01 1.25 -1.40 0.00 0.00 179.01 179.57 1s6l h LEU 31 N 0.05 0.02 -2.02 1.33 6.46 0.78 -3.05 115.31 118.89 1s6l h LEU 31 Ca -0.01 -0.54 0.14 0.00 -0.12 0.00 0.00 57.88 57.35 1s6l h LEU 31 Cb 1.14 -0.01 -0.02 0.00 -0.73 0.00 0.00 40.66 41.04 1s6l h LEU 31 CO 0.09 0.56 0.41 0.00 -0.62 0.00 0.00 178.44 178.88 1s6l h ALA 32 N 0.47 2.29 0.00 1.25 0.00 0.81 0.88 119.26 124.95 1s6l h ALA 32 Ca 0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1s6l h ALA 32 Cb 0.55 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 1s6l h ALA 32 CO 0.00 -0.66 -0.04 -0.22 0.00 0.00 0.00 179.25 178.34 1s6l h LYS 33 N 0.00 0.00 -5.75 0.00 3.64 -1.43 -3.47 116.57 109.56 1s6l h LYS 33 Ca 0.23 0.00 -0.36 0.00 -1.27 0.00 0.00 60.65 59.24 1s6l h LYS 33 Cb 1.05 0.00 0.15 0.00 -0.41 0.00 0.00 32.23 33.02 1s6l h LYS 33 CO -0.00 0.04 -0.74 0.41 -2.27 0.00 0.00 179.45 176.89 1s6l n GLY 34 N -0.34 -0.44 3.19 5.01 0.00 0.31 -5.02 105.19 107.90 1s6l n GLY 34 Ca -0.01 0.17 -0.17 0.00 0.00 0.00 0.00 46.02 46.01 1s6l n GLY 34 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1s6l s ARG 35 N -5.77 0.88 -0.82 1.61 1.70 -1.26 -5.06 118.95 110.23 1s6l s ARG 35 Ca 0.24 -1.08 -0.24 0.00 -0.47 0.00 0.00 55.73 54.18 1s6l s ARG 35 Cb -0.11 -0.78 -0.16 0.00 -0.57 0.00 0.00 34.95 33.33 1s6l s ARG 35 CO 0.73 0.16 2.38 -2.30 -1.08 0.00 0.00 175.30 175.19 1s6l n PRO 36 N 0.89 0.49 -3.37 3.89 -0.02 -1.26 -4.84 135.00 130.78 1s6l n PRO 36 Ca -0.18 -0.80 -0.43 0.00 -2.02 0.00 0.00 63.50 60.07 1s6l n PRO 36 Cb 0.56 -3.43 -0.09 0.00 -0.02 0.00 0.00 33.50 30.51 1s6l n PRO 36 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1s6l s VAL 37 N 13.45 5.14 0.27 -1.45 1.01 -1.24 -4.99 120.40 132.58 1s6l s VAL 37 Ca 0.96 -0.38 -0.03 0.00 0.00 0.00 0.00 61.98 62.54 1s6l s VAL 37 Cb -0.20 -3.98 0.06 0.00 0.00 0.00 0.00 36.38 32.25 1s6l s VAL 37 CO 0.13 -0.35 0.36 -1.54 0.00 0.00 0.00 175.10 173.70 1s6l n SER 38 N 5.46 0.20 0.09 3.32 3.41 -1.26 -2.05 113.62 122.78 1s6l n SER 38 Ca -0.08 -1.23 -0.15 0.00 -0.26 0.00 0.00 58.87 57.14 1s6l n SER 38 Cb 0.48 -0.26 -0.09 0.00 -0.26 0.00 0.00 64.21 64.07 1s6l n SER 38 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 175.04 174.96 1s6l h ARG 39 N 0.00 0.34 0.00 4.33 -0.00 -1.97 -1.18 114.38 115.90 1s6l h ARG 39 Ca -0.12 -0.47 -0.04 0.00 -0.00 0.00 0.00 59.98 59.35 1s6l h ARG 39 Cb 0.37 0.16 -0.01 0.00 -0.00 0.00 0.00 29.97 30.49 1s6l h ARG 39 CO 0.10 1.17 -0.21 1.79 -0.00 0.00 0.00 179.97 182.83 1s6l h THR 40 N 0.15 0.87 0.14 0.08 1.35 -1.96 1.63 112.91 115.17 1s6l h THR 40 Ca -0.11 -0.79 -0.29 0.00 -0.55 0.00 0.00 66.41 64.67 1s6l h THR 40 Cb 1.79 1.46 0.00 0.00 -1.73 0.00 0.00 68.15 69.68 1s6l h THR 40 CO 0.19 0.20 -1.46 0.74 -0.25 0.00 0.00 175.52 174.94 1s6l h THR 41 N 0.00 1.05 -0.48 6.82 2.02 -1.93 0.99 112.91 121.37 1s6l h THR 41 Ca -0.00 -2.45 -0.04 0.00 0.77 0.00 0.00 66.41 64.69 1s6l h THR 41 Cb 0.45 2.78 -0.02 0.00 -1.74 0.00 0.00 68.15 69.61 1s6l h THR 41 CO 0.03 0.75 0.14 0.25 0.37 0.00 0.00 175.52 177.06 1s6l h LEU 42 N -0.19 0.66 -0.12 2.58 5.85 -0.87 1.83 115.31 125.06 1s6l h LEU 42 Ca -0.30 -0.10 -0.16 0.00 0.84 0.00 0.00 57.88 58.17 1s6l h LEU 42 Cb 1.85 -0.17 0.01 0.00 0.37 0.00 0.00 40.66 42.72 1s6l h LEU 42 CO 0.10 0.64 -0.54 0.00 -0.34 0.00 0.00 178.44 178.31 1s6l h ALA 43 N 1.46 0.22 -0.07 1.25 0.00 0.23 0.12 119.26 122.46 1s6l h ALA 43 Ca 0.16 -0.52 -0.09 0.00 0.00 0.00 0.00 54.91 54.46 1s6l h ALA 43 Cb 0.23 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1s6l h ALA 43 CO -0.01 0.43 -0.38 0.78 0.00 0.00 0.00 179.25 180.08 1s6l h GLY 44 N 0.19 0.16 0.73 0.00 0.00 0.19 0.41 103.07 104.76 1s6l h GLY 44 Ca -0.03 -0.14 -0.18 0.00 0.00 0.00 0.00 47.33 46.97 1s6l h GLY 44 CO 0.11 0.13 -0.77 -2.22 0.00 0.00 0.00 176.54 173.80 1s6l h ILE 45 N 0.13 1.49 0.00 2.60 2.04 0.28 -3.16 117.51 120.89 1s6l h ILE 45 Ca 0.01 -2.41 0.00 0.00 1.00 0.00 0.00 64.86 63.46 1s6l h ILE 45 Cb 0.73 3.03 0.00 0.00 -0.74 0.00 0.00 36.82 39.84 1s6l h ILE 45 CO 0.05 0.69 0.00 0.18 0.00 0.00 0.00 178.15 179.07 1s6l n LEU 46 N -4.14 0.00 -1.76 1.44 4.32 0.41 -4.84 117.00 112.42 1s6l n LEU 46 Ca -0.13 0.48 -0.20 0.00 -0.02 0.00 0.00 56.01 56.14 1s6l n LEU 46 Cb 0.79 -0.48 -0.07 0.00 -1.62 0.00 0.00 43.42 42.03 1s6l n LEU 46 CO 0.48 -0.08 -0.21 -0.67 -1.22 0.00 0.00 177.39 175.69 1s6l n ASP 47 N -1.48 -5.43 -4.76 -1.43 2.03 0.12 -4.95 116.55 100.65 1s6l n ASP 47 Ca 0.06 0.39 -0.33 0.00 0.52 0.00 0.00 54.79 55.44 1s6l n ASP 47 Cb 0.28 -4.75 -0.07 0.00 -0.72 0.00 0.00 41.12 35.85 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 -2.78 3.25 0.34 -0.67 0.51 0.07 -4.99 118.94 114.67 1s6l s TRP 48 Ca 0.00 0.19 -0.28 0.00 -2.12 0.00 0.00 56.10 53.89 1s6l s TRP 48 Cb 0.00 -1.73 -0.12 0.00 -0.81 0.00 0.00 33.47 30.80 1s6l s TRP 48 CO 0.00 0.54 1.27 -2.30 -0.51 0.00 0.00 176.95 175.95 1s6l n PRO 49 N 1.30 2.07 0.28 4.98 -0.02 -1.26 -4.46 135.00 137.89 1s6l n PRO 49 Ca -0.14 0.73 0.12 0.00 -2.02 0.00 0.00 63.50 62.19 1s6l n PRO 49 Cb 0.53 -2.29 0.63 0.00 -0.02 0.00 0.00 33.50 32.34 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 2.51 1.33 0.04 3.55 0.00 -1.91 0.18 119.26 124.96 1s6l h ALA 50 Ca -0.46 0.00 -0.22 0.00 0.00 0.00 0.00 54.91 54.23 1s6l h ALA 50 Cb 1.29 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 1s6l h ALA 50 CO 0.62 -0.33 -1.01 1.05 0.00 0.00 0.00 179.25 179.58 1s6l h GLU 51 N 0.00 0.15 -0.50 0.00 4.11 -1.98 -1.95 114.58 114.40 1s6l h GLU 51 Ca 0.00 -0.21 -0.10 0.00 0.07 0.00 0.00 59.36 59.12 1s6l h GLU 51 Cb 0.72 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 30.03 1s6l h GLU 51 CO 0.00 1.03 -0.09 0.00 0.07 0.00 0.00 179.01 180.02 1s6l h ARG 52 N 0.06 0.95 -0.13 1.06 2.47 -0.97 0.28 114.38 118.10 1s6l h ARG 52 Ca -0.06 -0.35 -0.00 0.00 -1.26 0.00 0.00 59.98 58.31 1s6l h ARG 52 Cb 1.71 -0.06 -0.01 0.00 -1.65 0.00 0.00 29.97 29.96 1s6l h ARG 52 CO 0.15 1.01 0.07 0.28 0.56 0.00 0.00 179.97 182.04 1s6l h VAL 53 N 0.81 1.11 -0.09 2.04 2.07 -1.53 0.57 116.25 121.23 1s6l h VAL 53 Ca 0.13 -0.30 0.04 0.00 0.82 0.00 0.00 66.70 67.39 1s6l h VAL 53 Cb 0.64 1.07 -0.05 0.00 -1.52 0.00 0.00 31.29 31.43 1s6l h VAL 53 CO 0.04 0.10 -0.22 0.00 0.02 0.00 0.00 177.57 177.51 1s6l h ALA 54 N 0.95 -0.21 -0.46 1.67 0.00 -1.01 0.60 119.26 120.80 1s6l h ALA 54 Ca 0.04 0.03 0.06 0.00 0.00 0.00 0.00 54.91 55.05 1s6l h ALA 54 Cb 0.10 0.42 -0.05 0.00 0.00 0.00 0.00 17.79 18.25 1s6l h ALA 54 CO -0.01 -0.69 0.16 0.00 0.00 0.00 0.00 179.25 178.71 1s6l h ALA 55 N 0.65 0.55 -0.11 0.00 0.00 -0.21 -0.90 119.26 119.24 1s6l h ALA 55 Ca 0.09 0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.99 1s6l h ALA 55 Cb 0.43 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1s6l h ALA 55 CO -0.27 -0.23 -0.26 0.28 0.00 0.00 0.00 179.25 178.77 1s6l h VAL 56 N 0.33 1.24 -0.19 0.00 2.07 -0.18 -2.43 116.25 117.08 1s6l h VAL 56 Ca 0.22 -1.11 -0.02 0.00 0.82 0.00 0.00 66.70 66.60 1s6l h VAL 56 Cb 0.22 1.45 -0.01 0.00 -1.52 0.00 0.00 31.29 31.43 1s6l h VAL 56 CO -0.23 0.33 0.02 -0.07 0.02 0.00 0.00 177.57 177.64 1s6l h LEU 57 N 0.18 0.25 -2.29 2.57 3.38 0.16 -1.29 115.31 118.27 1s6l h LEU 57 Ca 0.03 -0.03 0.04 0.00 0.09 0.00 0.00 57.88 58.01 1s6l h LEU 57 Cb 0.57 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 1s6l h LEU 57 CO 0.04 0.29 0.19 -0.08 0.09 0.00 0.00 178.44 178.97 1s6l h GLU 58 N 0.27 0.00 0.00 1.13 4.22 -0.89 0.17 114.58 119.48 1s6l h GLU 58 Ca 0.07 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.51 1s6l h GLU 58 Cb 0.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.41 1s6l h GLU 58 CO 0.00 0.00 -1.45 1.04 -2.18 0.00 0.00 179.01 176.42 1s6l n GLN 59 N -3.64 0.50 -1.23 1.92 6.02 -0.51 -4.15 117.38 116.29 1s6l n GLN 59 Ca 0.01 -0.06 -0.25 0.00 -0.01 0.00 0.00 57.00 56.69 1s6l n GLN 59 Cb 0.30 -1.61 0.15 0.00 1.02 0.00 0.00 30.24 30.11 1s6l n GLN 59 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1s6l n ALA 60 N -2.08 5.66 0.35 -1.58 0.00 0.56 -4.53 120.51 118.89 1s6l n ALA 60 Ca -0.01 -3.09 0.10 0.00 0.00 0.00 0.00 53.44 50.44 1s6l n ALA 60 Cb 0.51 -1.44 0.46 0.00 0.00 0.00 0.00 19.45 18.98 1s6l n ALA 60 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1s6l n THR 61 N -1.08 0.96 0.09 0.00 -2.24 -0.99 -1.99 114.28 109.04 1s6l n THR 61 Ca 0.58 0.34 0.06 0.00 -2.27 0.00 0.00 64.05 62.77 1s6l n THR 61 Cb 1.34 -1.26 -0.02 0.00 -2.10 0.00 0.00 70.33 68.29 1s6l n THR 61 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1s6l h SER 62 N 0.00 0.00 -3.62 3.42 4.64 -1.89 -3.47 113.55 112.62 1s6l h SER 62 Ca 0.00 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 60.76 1s6l h SER 62 Cb 0.26 0.00 0.12 0.00 -0.31 0.00 0.00 62.40 62.46 1s6l h SER 62 CO 0.00 0.27 0.59 0.41 -0.87 0.00 0.00 176.83 177.22 1s6l n THR 63 N -2.84 2.32 -2.65 2.95 -1.04 -0.84 -4.93 114.28 107.24 1s6l n THR 63 Ca -0.03 -0.50 -0.42 0.00 -2.04 0.00 0.00 64.05 61.05 1s6l n THR 63 Cb 0.68 -1.70 -0.03 0.00 -1.82 0.00 0.00 70.33 67.46 1s6l n THR 63 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 1s6l s GLU 64 N -2.13 4.45 0.47 -2.82 2.02 -1.26 -5.04 118.70 114.40 1s6l s GLU 64 Ca 0.58 1.46 0.08 0.00 0.02 0.00 0.00 54.97 57.11 1s6l s GLU 64 Cb -0.51 -3.51 0.03 0.00 0.10 0.00 0.00 34.13 30.24 1s6l s GLU 64 CO 0.60 -0.25 0.60 0.71 0.02 0.00 0.00 175.26 176.94 1s6l s TYR 65 N 1.69 2.30 -0.06 1.61 2.02 -1.26 -3.04 117.35 120.60 1s6l s TYR 65 Ca 0.51 -0.54 -0.17 0.00 -0.37 0.00 0.00 57.07 56.50 1s6l s TYR 65 Cb -0.20 -2.27 0.03 0.00 -0.40 0.00 0.00 41.96 39.12 1s6l s TYR 65 CO 0.22 -0.60 0.39 0.34 -1.57 0.00 0.00 175.55 174.33 1s6l s ASP 66 N -4.41 -0.32 0.92 2.29 -1.08 -0.85 -4.81 116.67 108.41 1s6l s ASP 66 Ca 0.55 0.39 0.00 0.00 -0.52 0.00 0.00 52.55 52.97 1s6l s ASP 66 Cb -0.07 0.50 0.00 0.00 -1.46 0.00 0.00 42.92 41.89 1s6l s ASP 66 CO 0.33 -0.38 0.00 1.17 0.52 0.00 0.00 175.17 176.82 1s6l n LYS 67 N 1.71 0.00 0.00 4.34 4.81 -1.26 -1.95 118.16 125.81 1s6l n LYS 67 Ca -0.19 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 0.18 0.00 0.02 0.00 0.00 35.03 35.79 1s6l n LYS 67 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 1s6l n ASP 68 N 8.60 0.59 0.00 3.14 5.68 -1.26 -4.91 116.55 128.39 1s6l n ASP 68 Ca 0.00 -0.39 0.00 0.00 -0.50 0.00 0.00 54.79 53.90 1s6l n ASP 68 Cb 0.00 0.39 0.00 0.00 -1.14 0.00 0.00 41.12 40.37 1s6l n ASP 68 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1s6l n GLY 69 N 1.50 1.86 3.95 6.12 0.00 -0.82 -5.14 105.19 112.65 1s6l n GLY 69 Ca 0.05 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.90 4.88 -0.37 1.61 -0.87 -1.01 -4.71 114.94 112.56 1s6l s ASN 70 Ca 0.00 0.26 -0.29 0.00 -1.57 0.00 0.00 52.86 51.26 1s6l s ASN 70 Cb 0.00 -0.95 0.02 0.00 -0.02 0.00 0.00 41.25 40.30 1s6l s ASN 70 CO 0.00 -1.51 1.11 -0.63 -2.57 0.00 0.00 177.10 173.50 1s6l s ILE 71 N -3.11 4.39 -0.09 0.60 1.09 -0.87 -2.01 121.20 121.20 1s6l s ILE 71 Ca 0.60 1.55 0.09 0.00 -1.10 0.00 0.00 60.65 61.80 1s6l s ILE 71 Cb -0.10 -4.47 -0.13 0.00 -1.06 0.00 0.00 42.46 36.70 1s6l s ILE 71 CO 0.43 -0.66 0.06 0.00 -0.10 0.00 0.00 174.94 174.67 1s6l n ILE 72 N 6.21 0.63 -0.08 2.92 3.06 -1.17 -3.68 119.36 127.25 1s6l n ILE 72 Ca 0.12 -0.42 0.00 0.00 -2.50 0.00 0.00 62.75 59.95 1s6l n ILE 72 Cb 0.48 -0.62 0.00 0.00 0.54 0.00 0.00 39.64 40.04 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 2.31 -3.75 2.46 4.50 0.00 -1.20 -4.86 105.19 104.65 1s6l n GLY 73 Ca -0.15 -1.98 -0.16 0.00 0.00 0.00 0.00 46.02 43.73 1s6l n GLY 73 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 1s6l n TYR 74 N -0.21 -1.66 -1.29 1.61 4.11 -1.26 -4.54 117.16 113.92 1s6l n TYR 74 Ca 0.00 -2.78 0.02 0.00 -0.00 0.00 0.00 57.90 55.14 1s6l n TYR 74 Cb 0.00 0.57 0.21 0.00 -0.00 0.00 0.00 39.34 40.13 1s6l n TYR 74 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 1s6l n GLY 75 N 1.18 4.67 3.24 -7.48 0.00 -1.26 -5.00 105.19 100.54 1s6l n GLY 75 Ca 0.15 -1.17 -0.11 0.00 0.00 0.00 0.00 46.02 44.90 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 -3.09 1.02 0.23 0.99 1.02 -1.26 -3.54 118.68 114.04 1s6l s LEU 76 Ca 0.42 -0.31 0.05 0.00 0.02 0.00 0.00 54.13 54.31 1s6l s LEU 76 Cb 0.37 1.27 -0.03 0.00 0.02 0.00 0.00 46.19 47.82 1s6l s LEU 76 CO 0.02 -0.64 0.31 0.28 0.02 0.00 0.00 176.35 176.34 1s6l s THR 77 N -2.88 5.10 0.12 5.49 -1.32 -1.26 -5.01 115.64 115.88 1s6l s THR 77 Ca -0.03 -1.02 -0.15 0.00 -1.21 0.00 0.00 61.69 59.29 1s6l s THR 77 Cb 0.00 -3.74 -0.03 0.00 -1.51 0.00 0.00 72.50 67.22 1s6l s THR 77 CO -0.05 -0.29 1.56 -0.07 -2.21 0.00 0.00 174.62 173.55 1s6l h LEU 78 N 1.42 0.66 -9.66 9.08 3.38 -2.02 -3.44 115.31 114.73 1s6l h LEU 78 Ca -0.51 -0.31 -0.64 0.00 0.09 0.00 0.00 57.88 56.50 1s6l h LEU 78 Cb 1.22 -0.18 -0.08 0.00 0.09 0.00 0.00 40.66 41.71 1s6l h LEU 78 CO 0.62 0.82 -0.56 -0.13 0.09 0.00 0.00 178.44 179.27 1s6l s ARG 79 N -4.97 3.11 0.18 1.13 0.52 -1.26 -5.06 118.95 112.59 1s6l s ARG 79 Ca -0.13 -0.52 -0.32 0.00 -0.52 0.00 0.00 55.73 54.24 1s6l s ARG 79 Cb 0.10 -2.87 -0.11 0.00 0.52 0.00 0.00 34.95 32.58 1s6l s ARG 79 CO 0.79 0.62 1.73 -2.00 0.02 0.00 0.00 175.30 176.46 1s6l s GLU 80 N -2.05 4.14 0.26 3.54 2.12 -1.26 -5.00 118.70 120.44 1s6l s GLU 80 Ca 0.27 2.57 0.03 0.00 0.36 0.00 0.00 54.97 58.20 1s6l s GLU 80 Cb -0.12 -3.24 0.03 0.00 0.26 0.00 0.00 34.13 31.06 1s6l s GLU 80 CO 0.19 -0.76 0.24 0.25 -0.54 0.00 0.00 175.26 174.64 1s6l n THR 81 N 4.21 0.00 -0.05 -1.70 -2.24 -1.26 -5.06 114.28 108.17 1s6l n THR 81 Ca 0.16 -0.97 -0.14 0.00 -2.27 0.00 0.00 64.05 60.83 1s6l n THR 81 Cb 0.36 -0.43 -0.14 0.00 -2.10 0.00 0.00 70.33 68.02 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 -2.16 1.20 -4.60 3.42 7.64 -1.26 -4.83 113.62 113.04 1s6l n SER 82 Ca 0.02 0.16 -0.43 0.00 1.01 0.00 0.00 58.87 59.63 1s6l n SER 82 Cb 0.28 -0.08 -0.02 0.00 -1.01 0.00 0.00 64.21 63.38 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 -2.55 2.86 -0.11 1.43 1.51 -1.26 -4.61 117.35 114.62 1s6l s TYR 83 Ca -0.16 0.67 -0.04 0.00 -1.01 0.00 0.00 57.07 56.53 1s6l s TYR 83 Cb 0.07 -4.29 -0.03 0.00 -0.11 0.00 0.00 41.96 37.60 1s6l s TYR 83 CO 0.77 -1.20 0.03 0.08 -1.11 0.00 0.00 175.55 174.12 1s6l s VAL 84 N 4.25 4.53 -0.27 0.71 1.01 -0.69 -1.30 120.40 128.64 1s6l s VAL 84 Ca 0.45 -0.15 0.01 0.00 0.00 0.00 0.00 61.98 62.29 1s6l s VAL 84 Cb -0.08 -2.95 0.08 0.00 0.00 0.00 0.00 36.38 33.43 1s6l s VAL 84 CO 0.30 0.57 0.01 0.12 0.00 0.00 0.00 175.10 176.10 1s6l s PHE 85 N -0.56 2.38 -0.22 5.22 5.36 -0.12 0.09 117.98 130.13 1s6l s PHE 85 Ca 0.10 -1.92 -0.12 0.00 -0.96 0.00 0.00 56.93 54.03 1s6l s PHE 85 Cb -0.12 -1.83 -0.05 0.00 -0.34 0.00 0.00 43.02 40.69 1s6l s PHE 85 CO 0.02 -0.82 0.21 -1.21 -1.46 0.00 0.00 175.22 171.96 1s6l s GLU 86 N 1.39 4.13 -0.03 10.12 2.02 0.34 0.14 118.70 136.82 1s6l s GLU 86 Ca 0.02 -0.14 -0.01 0.00 0.02 0.00 0.00 54.97 54.86 1s6l s GLU 86 Cb -0.18 -3.50 0.03 0.00 0.10 0.00 0.00 34.13 30.57 1s6l s GLU 86 CO -0.11 0.11 0.04 0.96 0.02 0.00 0.00 175.26 176.27 1s6l s ILE 87 N 0.91 -0.07 0.00 -1.63 -4.36 -0.95 0.98 121.20 116.07 1s6l s ILE 87 Ca 0.11 0.28 0.00 0.00 -0.26 0.00 0.00 60.65 60.77 1s6l s ILE 87 Cb -0.13 -0.10 0.00 0.00 1.25 0.00 0.00 42.46 43.48 1s6l s ILE 87 CO 0.04 0.11 0.00 0.47 0.24 0.00 0.00 174.94 175.80 1s6l n ASP 88 N 4.50 0.00 -1.89 4.36 8.00 -1.26 -0.83 116.55 129.44 1s6l n ASP 88 Ca -0.21 0.00 -0.04 0.00 0.71 0.00 0.00 54.79 55.25 1s6l n ASP 88 Cb 0.50 0.00 0.04 0.00 -0.02 0.00 0.00 41.12 41.64 1s6l n ASP 88 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1s6l n ASP 89 N 0.70 -1.24 -3.67 -2.24 -0.08 -1.26 -5.09 116.55 103.66 1s6l n ASP 89 Ca 0.00 -2.11 -0.24 0.00 -1.51 0.00 0.00 54.79 50.93 1s6l n ASP 89 Cb 0.00 0.51 -0.17 0.00 2.34 0.00 0.00 41.12 43.79 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 0.07 0.20 -1.10 -0.67 1.81 -0.01 -5.08 118.95 114.18 1s6l s ARG 90 Ca 0.05 0.01 -0.22 0.00 -1.72 0.00 0.00 55.73 53.85 1s6l s ARG 90 Cb 0.24 -1.41 0.03 0.00 -0.45 0.00 0.00 34.95 33.36 1s6l s ARG 90 CO -0.07 -0.52 1.64 1.03 -0.68 0.00 0.00 175.30 176.69 1s6l s ARG 91 N 2.08 3.48 0.86 3.54 3.00 -1.26 -2.25 118.95 128.39 1s6l s ARG 91 Ca 0.03 -1.26 -0.11 0.00 0.00 0.00 0.00 55.73 54.38 1s6l s ARG 91 Cb -0.15 -5.36 0.10 0.00 0.00 0.00 0.00 34.95 29.55 1s6l s ARG 91 CO -0.07 -2.52 1.09 -0.51 0.00 0.00 0.00 175.30 173.30 1s6l s LEU 92 N 5.93 2.40 0.13 2.53 1.02 0.38 -4.87 118.68 126.20 1s6l s LEU 92 Ca 0.53 1.42 0.01 0.00 0.02 0.00 0.00 54.13 56.12 1s6l s LEU 92 Cb 0.00 -3.92 -0.04 0.00 0.02 0.00 0.00 46.19 42.24 1s6l s LEU 92 CO -0.02 -2.37 -0.01 -0.31 0.02 0.00 0.00 176.35 173.66 1s6l s TYR 93 N -3.02 0.97 0.20 0.29 2.02 -1.23 -0.95 117.35 115.64 1s6l s TYR 93 Ca 0.62 -1.04 -0.11 0.00 -0.37 0.00 0.00 57.07 56.17 1s6l s TYR 93 Cb -0.17 -0.57 -0.00 0.00 -0.40 0.00 0.00 41.96 40.82 1s6l s TYR 93 CO 0.56 -0.28 0.37 0.00 -1.57 0.00 0.00 175.55 174.63 1s6l s ALA 94 N -3.76 -0.12 -1.20 3.71 0.00 -0.42 -4.43 121.76 115.54 1s6l s ALA 94 Ca 0.19 -0.86 0.22 0.00 0.00 0.00 0.00 51.96 51.51 1s6l s ALA 94 Cb 0.06 0.97 -0.10 0.00 0.00 0.00 0.00 23.12 24.06 1s6l s ALA 94 CO -0.00 -0.74 0.99 0.91 0.00 0.00 0.00 175.76 176.92 1s6l n TRP 95 N -0.30 0.00 -3.83 0.00 7.02 -1.26 -4.05 117.44 115.01 1s6l n TRP 95 Ca -0.05 0.00 -0.07 0.00 -1.02 0.00 0.00 57.50 56.36 1s6l n TRP 95 Cb 0.63 -0.02 -0.01 0.00 -2.42 0.00 0.00 31.31 29.49 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 2.00 1.74 0.06 0.00 0.00 -1.91 -2.44 119.26 118.70 1s6l h ALA 97 Ca -0.24 -0.01 -0.37 0.00 0.00 0.00 0.00 54.91 54.30 1s6l h ALA 97 Cb 1.25 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 19.01 1s6l h ALA 97 CO 0.29 -0.38 -2.17 1.47 0.00 0.00 0.00 179.25 178.46 1s6l n LEU 98 N -3.56 2.34 0.26 0.00 -0.00 -1.26 -4.23 117.00 110.55 1s6l n LEU 98 Ca 0.02 0.09 0.17 0.00 -0.00 0.00 0.00 56.01 56.29 1s6l n LEU 98 Cb 0.39 -0.76 0.82 0.00 -0.00 0.00 0.00 43.42 43.87 1s6l n LEU 98 CO 0.24 0.80 1.15 0.44 -0.00 0.00 0.00 177.39 180.02 1s6l h ASP 99 N 0.03 0.00 -0.51 1.45 5.19 -1.82 -0.05 116.42 120.72 1s6l h ASP 99 Ca -0.48 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.94 1s6l h ASP 99 Cb 2.00 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 41.49 1s6l h ASP 99 CO 0.02 0.00 0.33 0.71 -3.12 0.00 0.00 179.24 177.18 1s6l h THR 100 N 0.00 1.13 -1.52 0.35 1.35 -1.72 -3.44 112.91 109.07 1s6l h THR 100 Ca 0.06 -0.25 0.09 0.00 -0.55 0.00 0.00 66.41 65.75 1s6l h THR 100 Cb 0.73 0.39 -0.24 0.00 -1.73 0.00 0.00 68.15 67.30 1s6l h THR 100 CO -0.00 0.13 0.56 -0.22 -0.25 0.00 0.00 175.52 175.74 1s6l s LEU 101 N -9.59 -0.35 -0.17 3.87 1.98 -0.03 -4.88 118.68 109.51 1s6l s LEU 101 Ca -0.09 0.48 -0.02 0.00 -2.89 0.00 0.00 54.13 51.61 1s6l s LEU 101 Cb 0.17 1.79 -0.10 0.00 0.66 0.00 0.00 46.19 48.71 1s6l s LEU 101 CO 0.75 -0.26 -0.17 0.00 -1.89 0.00 0.00 176.35 174.77 1s6l n ILE 102 N 1.12 0.95 -3.40 6.68 3.06 -1.26 -4.80 119.36 121.71 1s6l n ILE 102 Ca -0.10 -0.33 -0.26 0.00 -2.50 0.00 0.00 62.75 59.56 1s6l n ILE 102 Cb 0.57 -1.29 -0.08 0.00 0.54 0.00 0.00 39.64 39.38 1s6l n ILE 102 CO 0.00 0.00 0.00 0.49 -2.50 0.00 0.00 176.55 174.54 1s6l n PHE 103 N -3.23 1.62 0.32 9.51 3.72 -1.26 -4.93 117.46 123.20 1s6l n PHE 103 Ca -0.31 -3.86 0.20 0.00 -0.05 0.00 0.00 57.45 53.43 1s6l n PHE 103 Cb 0.79 -0.40 1.04 0.00 -0.94 0.00 0.00 39.48 39.98 1s6l n PHE 103 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 1s6l h PRO 104 N 4.44 0.00 0.00 -1.08 0.11 -1.92 -1.42 132.00 132.12 1s6l h PRO 104 Ca 0.16 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 66.20 1s6l h PRO 104 Cb 0.78 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.88 1s6l h PRO 104 CO 0.63 0.01 -0.32 0.00 -0.21 0.00 0.00 178.00 178.11 1s6l h ALA 105 N 1.99 0.80 0.00 -0.75 0.00 -1.85 -3.29 119.26 116.15 1s6l h ALA 105 Ca -0.00 -0.30 -0.11 0.00 0.00 0.00 0.00 54.91 54.50 1s6l h ALA 105 Cb 0.13 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1s6l h ALA 105 CO 0.00 0.41 -0.96 1.25 0.00 0.00 0.00 179.25 179.94 1s6l h LEU 106 N 0.00 0.00 -0.28 0.00 5.85 -1.62 -3.36 115.31 115.89 1s6l h LEU 106 Ca -0.00 0.00 0.03 0.00 0.84 0.00 0.00 57.88 58.74 1s6l h LEU 106 Cb 1.23 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.23 1s6l h LEU 106 CO 0.04 0.44 0.11 -0.29 -0.34 0.00 0.00 178.44 178.41 1s6l h ILE 107 N 0.00 0.95 0.00 4.05 6.09 -1.60 -3.47 117.51 123.53 1s6l h ILE 107 Ca -0.08 -0.09 0.00 0.00 -1.37 0.00 0.00 64.86 63.33 1s6l h ILE 107 Cb 1.40 0.68 0.00 0.00 0.47 0.00 0.00 36.82 39.37 1s6l h ILE 107 CO 0.04 0.05 0.00 0.61 -3.07 0.00 0.00 178.15 175.78 1s6l n GLY 108 N -1.19 0.90 3.63 8.18 0.00 -1.26 -5.08 105.19 110.37 1s6l n GLY 108 Ca -0.01 -0.17 -0.11 0.00 0.00 0.00 0.00 46.02 45.74 1s6l n GLY 108 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1s6l s ARG 109 N -0.36 1.89 0.45 1.61 6.06 -1.26 -5.00 118.95 122.33 1s6l s ARG 109 Ca 0.00 -1.47 -0.21 0.00 -2.50 0.00 0.00 55.73 51.55 1s6l s ARG 109 Cb 0.00 0.51 -0.10 0.00 0.06 0.00 0.00 34.95 35.42 1s6l s ARG 109 CO 0.00 -0.82 0.97 0.99 -2.50 0.00 0.00 175.30 173.94 1s6l s THR 110 N -3.20 4.25 -0.18 4.11 2.01 -1.26 -4.05 115.64 117.32 1s6l s THR 110 Ca 0.23 1.39 -0.04 0.00 0.31 0.00 0.00 61.69 63.58 1s6l s THR 110 Cb -0.02 -3.57 0.06 0.00 0.01 0.00 0.00 72.50 68.98 1s6l s THR 110 CO 0.14 -0.31 0.06 0.00 -0.69 0.00 0.00 174.62 173.82 1s6l s ALA 111 N -2.15 0.73 -0.23 7.40 0.00 0.28 -4.05 121.76 123.74 1s6l s ALA 111 Ca 0.63 -0.51 -0.28 0.00 0.00 0.00 0.00 51.96 51.80 1s6l s ALA 111 Cb -0.11 -1.11 0.01 0.00 0.00 0.00 0.00 23.12 21.91 1s6l s ALA 111 CO 0.15 -1.17 0.99 1.03 0.00 0.00 0.00 175.76 176.76 1s6l s ARG 112 N 1.99 4.25 -0.13 0.00 0.52 0.28 0.14 118.95 125.99 1s6l s ARG 112 Ca 0.00 1.26 -0.02 0.00 -0.52 0.00 0.00 55.73 56.45 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 -0.59 -0.08 0.08 0.02 0.00 0.00 175.30 174.64 1s6l s VAL 113 N 3.07 3.48 -0.04 3.52 1.01 0.40 0.13 120.40 131.96 1s6l s VAL 113 Ca 0.42 -0.51 0.07 0.00 0.00 0.00 0.00 61.98 61.95 1s6l s VAL 113 Cb -0.15 -2.49 -0.02 0.00 0.00 0.00 0.00 36.38 33.72 1s6l s VAL 113 CO 0.07 0.52 -0.25 -0.44 0.00 0.00 0.00 175.10 175.00 1s6l s SER 114 N 0.23 3.13 0.24 3.32 0.01 0.11 0.16 113.70 120.90 1s6l s SER 114 Ca -0.06 -0.47 0.01 0.00 1.31 0.00 0.00 55.95 56.74 1s6l s SER 114 Cb -0.15 -0.63 -0.03 0.00 0.21 0.00 0.00 66.02 65.42 1s6l s SER 114 CO 0.04 0.28 0.19 -0.44 0.41 0.00 0.00 173.24 173.73 1s6l s SER 115 N -0.39 0.55 -0.03 2.44 0.01 0.46 -1.71 113.70 115.04 1s6l s SER 115 Ca 0.03 -1.47 0.01 0.00 1.31 0.00 0.00 55.95 55.84 1s6l s SER 115 Cb -0.12 0.44 0.02 0.00 0.21 0.00 0.00 66.02 66.57 1s6l s SER 115 CO 0.01 -0.92 -0.04 -2.28 0.41 0.00 0.00 173.24 170.43 1s6l s HIS 116 N -3.94 0.59 0.04 2.43 2.46 -1.26 0.88 115.29 116.49 1s6l s HIS 116 Ca 0.39 -0.13 -0.33 0.00 0.47 0.00 0.00 55.06 55.46 1s6l s HIS 116 Cb 0.05 -0.53 -0.12 0.00 -0.13 0.00 0.00 32.58 31.85 1s6l s HIS 116 CO 0.16 -0.14 1.82 0.00 -2.47 0.00 0.00 174.74 174.11 1s6l n ALA 118 N 5.82 1.58 0.00 0.00 0.00 -0.14 -1.09 120.51 126.68 1s6l n ALA 118 Ca 0.20 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.59 1s6l n ALA 118 Cb 0.33 -1.19 0.00 0.00 0.00 0.00 0.00 19.45 18.59 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 -1.45 3.00 0.23 0.00 0.00 -1.26 -4.77 120.51 116.27 1s6l n ALA 119 Ca 0.04 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.61 1s6l n ALA 119 Cb 0.13 0.42 0.33 0.00 0.00 0.00 0.00 19.45 20.33 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 0.06 -3.67 0.00 2.02 -1.94 -3.47 112.91 105.92 1s6l h THR 120 Ca 0.00 -0.91 -0.38 0.00 0.77 0.00 0.00 66.41 65.88 1s6l h THR 120 Cb 0.82 1.87 0.03 0.00 -1.74 0.00 0.00 68.15 69.13 1s6l h THR 120 CO 0.00 0.03 -0.54 0.61 0.37 0.00 0.00 175.52 175.99 1s6l n GLY 121 N 0.76 -0.44 3.98 2.16 0.00 -0.25 -4.94 105.19 106.45 1s6l n GLY 121 Ca 0.03 0.02 -0.18 0.00 0.00 0.00 0.00 46.02 45.88 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 -3.08 4.36 -0.41 4.61 0.00 -1.26 -4.80 121.76 121.18 1s6l s ALA 122 Ca 0.18 -1.66 -0.18 0.00 0.00 0.00 0.00 51.96 50.30 1s6l s ALA 122 Cb -0.08 -1.52 0.02 0.00 0.00 0.00 0.00 23.12 21.54 1s6l s ALA 122 CO 0.22 -0.20 0.52 -1.25 0.00 0.00 0.00 175.76 175.05 1s6l s PRO 123 N -4.26 3.27 0.09 0.00 0.04 -1.26 -1.29 135.00 131.59 1s6l s PRO 123 Ca 0.51 -0.51 0.05 0.00 0.04 0.00 0.00 61.00 61.10 1s6l s PRO 123 Cb -0.09 -3.93 -0.04 0.00 0.04 0.00 0.00 34.50 30.49 1s6l s PRO 123 CO 0.31 -0.85 -0.05 0.14 0.04 0.00 0.00 177.00 176.59 1s6l s VAL 124 N 2.41 3.73 -0.11 -0.36 -7.23 0.25 -4.61 120.40 114.49 1s6l s VAL 124 Ca 0.17 -1.07 -0.12 0.00 -1.81 0.00 0.00 61.98 59.14 1s6l s VAL 124 Cb -0.16 -2.75 0.03 0.00 0.56 0.00 0.00 36.38 34.06 1s6l s VAL 124 CO 0.15 0.15 0.33 -0.94 -0.31 0.00 0.00 175.10 174.48 1s6l s SER 125 N -2.17 -0.32 0.07 4.85 1.04 0.17 0.18 113.70 117.52 1s6l s SER 125 Ca 0.23 0.57 0.04 0.00 0.48 0.00 0.00 55.95 57.26 1s6l s SER 125 Cb -0.11 0.62 -0.03 0.00 0.10 0.00 0.00 66.02 66.59 1s6l s SER 125 CO 0.15 -0.18 -0.10 -0.76 0.98 0.00 0.00 173.24 173.33 1s6l s LEU 126 N -0.10 2.33 -0.29 2.42 2.01 0.41 -0.32 118.68 125.14 1s6l s LEU 126 Ca -0.02 -0.69 -0.04 0.00 0.01 0.00 0.00 54.13 53.39 1s6l s LEU 126 Cb -0.03 -0.31 0.03 0.00 0.01 0.00 0.00 46.19 45.89 1s6l s LEU 126 CO 0.01 -0.20 0.02 -0.89 1.01 0.00 0.00 176.35 176.30 1s6l s THR 127 N -1.84 3.39 -0.39 5.49 2.01 -0.64 0.15 115.64 123.80 1s6l s THR 127 Ca -0.01 -1.02 -0.17 0.00 0.31 0.00 0.00 61.69 60.80 1s6l s THR 127 Cb -0.07 -2.81 0.01 0.00 0.01 0.00 0.00 72.50 69.64 1s6l s THR 127 CO 0.01 0.03 0.43 -0.69 -0.69 0.00 0.00 174.62 173.71 1s6l s VAL 128 N 1.38 5.09 0.51 3.82 1.01 0.37 -2.50 120.40 130.07 1s6l s VAL 128 Ca -0.01 -0.16 0.07 0.00 0.00 0.00 0.00 61.98 61.89 1s6l s VAL 128 Cb -0.18 -3.98 0.03 0.00 0.00 0.00 0.00 36.38 32.25 1s6l s VAL 128 CO -0.00 -0.33 0.49 -0.94 0.00 0.00 0.00 175.10 174.32 1s6l s SER 129 N 1.79 4.88 0.19 3.32 1.04 0.90 0.10 113.70 125.93 1s6l s SER 129 Ca 0.13 -0.99 0.21 0.00 0.48 0.00 0.00 55.95 55.78 1s6l s SER 129 Cb -0.17 0.08 0.88 0.00 0.10 0.00 0.00 66.02 66.92 1s6l s SER 129 CO 0.13 -1.02 1.65 -2.65 0.98 0.00 0.00 173.24 172.33 1s6l n PRO 130 N -1.81 0.14 0.00 4.02 -0.02 -1.26 -3.60 135.00 132.47 1s6l n PRO 130 Ca 0.04 0.37 0.00 0.00 -2.02 0.00 0.00 63.50 61.89 1s6l n PRO 130 Cb 0.63 -1.77 0.00 0.00 -0.02 0.00 0.00 33.50 32.34 1s6l n PRO 130 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1s6l n SER 131 N -2.04 4.92 0.00 2.55 2.88 -1.26 -4.74 113.62 115.93 1s6l n SER 131 Ca 0.03 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.57 1s6l n SER 131 Cb 0.22 0.61 0.00 0.00 -0.75 0.00 0.00 64.21 64.28 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 -1.86 -0.30 -3.68 -1.46 0.28 -1.24 -5.16 120.64 107.22 1s6l n GLU 132 Ca 0.00 0.00 -0.27 0.00 -0.16 0.00 0.00 57.16 56.73 1s6l n GLU 132 Cb 0.38 0.00 -0.03 0.00 1.43 0.00 0.00 31.44 33.22 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 5.20 0.00 3.84 -4.36 -1.25 -0.07 121.20 121.55 1s6l s ILE 133 Ca 0.00 -0.38 0.00 0.00 -0.26 0.00 0.00 60.65 60.01 1s6l s ILE 133 Cb 0.00 -3.75 0.00 0.00 1.25 0.00 0.00 42.46 39.96 1s6l s ILE 133 CO 0.00 -0.21 0.90 0.00 0.24 0.00 0.00 174.94 175.87 1s6l n GLN 134 N -0.76 0.00 -2.80 0.37 1.13 -1.04 -4.94 117.38 109.33 1s6l n GLN 134 Ca -0.05 -0.83 -0.00 0.00 -1.94 0.00 0.00 57.00 54.18 1s6l n GLN 134 Cb 0.54 -0.43 0.01 0.00 0.11 0.00 0.00 30.24 30.47 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 0.00 -3.95 -0.24 -1.58 0.00 -1.26 -4.90 121.76 109.83 1s6l s ALA 135 Ca 0.00 0.77 -0.08 0.00 0.00 0.00 0.00 51.96 52.65 1s6l s ALA 135 Cb 0.00 -2.94 -0.03 0.00 0.00 0.00 0.00 23.12 20.15 1s6l s ALA 135 CO 0.00 -2.44 0.08 0.08 0.00 0.00 0.00 175.76 173.48 1s6l s VAL 136 N 1.56 4.54 -0.11 0.00 1.01 -1.26 -1.62 120.40 124.53 1s6l s VAL 136 Ca 0.19 -0.10 -0.05 0.00 0.00 0.00 0.00 61.98 62.02 1s6l s VAL 136 Cb 0.05 -3.11 0.05 0.00 0.00 0.00 0.00 36.38 33.37 1s6l s VAL 136 CO -0.12 0.35 0.24 -1.61 0.00 0.00 0.00 175.10 173.96 1s6l s GLU 137 N 1.38 0.15 0.71 2.72 0.41 0.56 -3.63 118.70 120.99 1s6l s GLU 137 Ca 0.05 0.63 -0.12 0.00 -0.41 0.00 0.00 54.97 55.12 1s6l s GLU 137 Cb -0.15 -0.10 0.02 0.00 -1.78 0.00 0.00 34.13 32.12 1s6l s GLU 137 CO 0.04 -0.24 1.08 -1.25 -0.49 0.00 0.00 175.26 174.40 1s6l s PRO 138 N 1.92 2.72 -1.13 0.39 0.04 -1.26 0.45 135.00 138.13 1s6l s PRO 138 Ca -0.03 1.12 -0.22 0.00 0.04 0.00 0.00 61.00 61.91 1s6l s PRO 138 Cb -0.11 -1.96 -0.09 0.00 0.04 0.00 0.00 34.50 32.38 1s6l s PRO 138 CO -0.08 -1.28 1.92 0.00 0.04 0.00 0.00 177.00 177.60 1s6l n ALA 139 N -3.04 2.13 0.00 8.56 0.00 -1.24 -2.27 120.51 124.65 1s6l n ALA 139 Ca 0.09 -3.10 0.00 0.00 0.00 0.00 0.00 53.44 50.42 1s6l n ALA 139 Cb 0.53 -3.51 0.00 0.00 0.00 0.00 0.00 19.45 16.47 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 5.57 -0.14 3.65 0.00 0.00 -1.26 -5.15 105.19 107.86 1s6l n GLY 140 Ca 0.46 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.17 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 0.81 0.08 1.61 0.00 -0.96 -4.01 119.30 116.82 1s6l s MET 141 Ca 0.00 1.45 0.04 0.00 0.00 0.00 0.00 55.69 57.19 1s6l s MET 141 Cb 0.00 -1.71 -0.03 0.00 0.00 0.00 0.00 34.83 33.09 1s6l s MET 141 CO 0.00 -2.74 -0.12 0.00 0.00 0.00 0.00 175.02 172.16 1s6l s ALA 142 N -2.63 1.08 0.10 3.16 0.00 0.36 -3.82 121.76 120.01 1s6l s ALA 142 Ca 0.67 -1.05 0.06 0.00 0.00 0.00 0.00 51.96 51.64 1s6l s ALA 142 Cb -0.23 -0.03 -0.04 0.00 0.00 0.00 0.00 23.12 22.82 1s6l s ALA 142 CO 0.59 0.06 -0.03 0.08 0.00 0.00 0.00 175.76 176.46 1s6l s VAL 143 N -1.74 3.80 0.08 0.00 1.01 0.41 0.20 120.40 124.16 1s6l s VAL 143 Ca -0.00 -1.12 0.08 0.00 0.00 0.00 0.00 61.98 60.95 1s6l s VAL 143 Cb -0.07 -2.82 -0.03 0.00 0.00 0.00 0.00 36.38 33.46 1s6l s VAL 143 CO 0.01 0.09 -0.22 -0.44 0.00 0.00 0.00 175.10 174.54 1s6l s SER 144 N -2.35 2.71 0.15 3.32 0.01 0.93 0.29 113.70 118.76 1s6l s SER 144 Ca 0.25 -0.62 0.06 0.00 1.31 0.00 0.00 55.95 56.94 1s6l s SER 144 Cb -0.11 -0.19 -0.04 0.00 0.21 0.00 0.00 66.02 65.88 1s6l s SER 144 CO 0.17 0.14 -0.13 -0.22 0.41 0.00 0.00 173.24 173.61 1s6l s LEU 145 N -1.58 2.49 0.01 2.44 0.20 0.78 -2.76 118.68 120.25 1s6l s LEU 145 Ca 0.09 -0.93 0.06 0.00 0.69 0.00 0.00 54.13 54.04 1s6l s LEU 145 Cb -0.10 -0.52 -0.02 0.00 -0.43 0.00 0.00 46.19 45.12 1s6l s LEU 145 CO 0.03 -0.21 -0.19 -0.69 -0.29 0.00 0.00 176.35 175.00 1s6l s VAL 146 N -2.74 1.52 -0.39 1.68 1.01 -1.20 -1.72 120.40 118.55 1s6l s VAL 146 Ca 0.15 -0.95 0.08 0.00 0.00 0.00 0.00 61.98 61.26 1s6l s VAL 146 Cb -0.01 -1.29 0.26 0.00 0.00 0.00 0.00 36.38 35.34 1s6l s VAL 146 CO 0.03 0.31 0.57 -0.11 0.00 0.00 0.00 175.10 175.91 1s6l n LEU 147 N 2.30 0.05 -4.84 3.92 7.94 -1.26 -4.73 117.00 120.38 1s6l n LEU 147 Ca -0.16 -4.64 -0.35 0.00 -1.11 0.00 0.00 56.01 49.75 1s6l n LEU 147 Cb 0.54 0.66 -0.06 0.00 0.53 0.00 0.00 43.42 45.09 1s6l n LEU 147 CO 0.23 2.09 0.33 -2.16 -1.11 0.00 0.00 177.39 176.78 1s6l s PRO 148 N -1.21 4.06 -2.11 1.96 0.04 -1.26 -2.66 135.00 133.81 1s6l s PRO 148 Ca 0.35 0.64 0.00 0.00 0.04 0.00 0.00 61.00 62.03 1s6l s PRO 148 Cb 0.20 -2.79 0.00 0.00 0.04 0.00 0.00 34.50 31.95 1s6l s PRO 148 CO -0.11 0.37 0.00 1.04 0.04 0.00 0.00 177.00 178.34 1s6l n GLN 149 N 0.46 -1.47 -2.56 4.56 6.02 -1.26 -3.56 117.38 119.56 1s6l n GLN 149 Ca -0.02 1.18 -0.02 0.00 -0.01 0.00 0.00 57.00 58.12 1s6l n GLN 149 Cb 0.52 -5.58 0.00 0.00 1.02 0.00 0.00 30.24 26.20 1s6l n GLN 149 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1s6l n GLU 150 N -2.40 -2.63 -2.22 -1.09 -0.58 -1.25 -4.79 120.64 105.67 1s6l n GLU 150 Ca -0.21 2.25 -0.02 0.00 -0.42 0.00 0.00 57.16 58.76 1s6l n GLU 150 Cb 0.67 -4.82 -0.01 0.00 -0.57 0.00 0.00 31.44 26.70 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 0.27 -2.63 -3.84 0.62 0.00 -1.23 -4.97 120.51 108.72 1s6l n ALA 151 Ca 0.04 0.94 -0.34 0.00 0.00 0.00 0.00 53.44 54.08 1s6l n ALA 151 Cb 0.14 -2.13 -0.12 0.00 0.00 0.00 0.00 19.45 17.33 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 -0.52 3.33 -0.01 0.00 0.00 -1.25 -4.96 121.76 118.34 1s6l s ALA 152 Ca -0.08 -3.03 -0.01 0.00 0.00 0.00 0.00 51.96 48.84 1s6l s ALA 152 Cb 0.01 -2.37 -0.01 0.00 0.00 0.00 0.00 23.12 20.75 1s6l s ALA 152 CO 0.21 -1.97 0.23 0.22 0.00 0.00 0.00 175.76 174.45 1s6l h ASP 153 N 7.14 -0.04 -3.20 0.00 3.58 -1.93 -3.47 116.42 118.49 1s6l h ASP 153 Ca -0.06 0.00 -0.28 0.00 0.42 0.00 0.00 57.03 57.11 1s6l h ASP 153 Cb 0.96 0.01 -0.35 0.00 1.72 0.00 0.00 39.33 41.68 1s6l h ASP 153 CO 0.68 0.04 -0.63 0.54 -2.88 0.00 0.00 179.24 176.99 1s6l s VAL 154 N -1.59 -0.19 0.01 2.25 0.11 -1.26 -4.94 120.40 114.79 1s6l s VAL 154 Ca -0.01 0.30 0.00 0.00 -2.93 0.00 0.00 61.98 59.35 1s6l s VAL 154 Cb 0.00 -0.27 0.00 0.00 -1.53 0.00 0.00 36.38 34.58 1s6l s VAL 154 CO 0.02 0.13 0.00 -1.14 -3.33 0.00 0.00 175.10 170.78 1s6l n ARG 155 N 4.97 0.00 -1.55 1.54 0.00 -1.26 -5.00 116.66 115.35 1s6l n ARG 155 Ca -0.12 0.00 -0.04 0.00 -0.00 0.00 0.00 57.85 57.69 1s6l n ARG 155 Cb 0.50 0.00 -0.00 0.00 0.00 0.00 0.00 32.46 32.96 1s6l n ARG 155 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.63 178.57 1s6l n GLN 156 N -1.89 0.43 -3.26 -0.14 -0.06 -1.26 -5.03 117.38 106.16 1s6l n GLN 156 Ca 0.00 -1.24 -0.21 0.00 -2.00 0.00 0.00 57.00 53.55 1s6l n GLN 156 Cb 0.00 0.36 -0.08 0.00 -4.06 0.00 0.00 30.24 26.46 1s6l n GLN 156 CO 0.00 0.00 0.00 -1.12 -0.20 0.00 0.00 177.06 175.74 1s6l s SER 157 N -1.23 0.87 -0.00 1.69 0.01 -1.26 -4.94 113.70 108.84 1s6l s SER 157 Ca 0.06 -2.55 0.23 0.00 1.31 0.00 0.00 55.95 55.00 1s6l s SER 157 Cb 0.16 0.18 0.38 0.00 0.21 0.00 0.00 66.02 66.96 1s6l s SER 157 CO -0.05 -0.16 1.15 2.22 0.41 0.00 0.00 173.24 176.81 1s6l n PHE 158 N 3.11 0.00 0.04 2.43 -1.74 -1.26 -4.87 117.46 115.17 1s6l n PHE 158 Ca 0.24 -0.47 -0.20 0.00 -0.56 0.00 0.00 57.45 56.47 1s6l n PHE 158 Cb 0.49 -0.14 -0.12 0.00 1.52 0.00 0.00 39.48 41.22 1s6l n PHE 158 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 1s6l n HIS 161 N -1.14 0.00 -3.70 0.00 -0.00 -1.26 -4.89 115.22 104.23 1s6l n HIS 161 Ca 0.00 0.00 -0.39 0.00 0.46 0.00 0.00 57.72 57.79 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 0.08 0.46 0.00 0.00 176.34 176.88 1s6l s VAL 162 N 0.00 4.09 0.35 3.57 1.01 -1.26 -3.23 120.40 124.92 1s6l s VAL 162 Ca 0.00 -0.96 0.05 0.00 0.00 0.00 0.00 61.98 61.08 1s6l s VAL 162 Cb 0.00 -3.27 -0.07 0.00 0.00 0.00 0.00 36.38 33.05 1s6l s VAL 162 CO 0.00 -0.15 0.02 -1.00 0.00 0.00 0.00 175.10 173.97 1s6l s HIS 163 N 1.47 2.18 0.14 5.22 0.09 -1.11 -3.08 115.29 120.20 1s6l s HIS 163 Ca 0.00 -0.81 0.07 0.00 -0.00 0.00 0.00 55.06 54.32 1s6l s HIS 163 Cb -0.19 -1.45 -0.04 0.00 -0.00 0.00 0.00 32.58 30.90 1s6l s HIS 163 CO 0.04 0.22 -0.02 -0.06 -0.00 0.00 0.00 174.74 174.92 1s6l s PHE 164 N -3.03 2.87 -0.02 1.40 0.08 -1.26 -0.05 117.98 117.96 1s6l s PHE 164 Ca 0.35 -0.11 0.02 0.00 0.12 0.00 0.00 56.93 57.31 1s6l s PHE 164 Cb 0.08 -1.43 0.00 0.00 -0.57 0.00 0.00 43.02 41.11 1s6l s PHE 164 CO 0.16 0.49 -0.06 -0.06 -0.10 0.00 0.00 175.22 175.65 1s6l s PHE 165 N -1.52 0.65 0.49 0.36 0.40 0.53 -0.96 117.98 117.92 1s6l s PHE 165 Ca 0.26 -0.14 0.44 0.00 -0.60 0.00 0.00 56.93 56.89 1s6l s PHE 165 Cb -0.10 -0.47 1.54 0.00 0.51 0.00 0.00 43.02 44.50 1s6l s PHE 165 CO 0.18 -0.06 1.41 0.00 0.70 0.00 0.00 175.22 177.44 1s6l n ALA 166 N 3.23 1.67 -3.96 5.36 0.00 -1.26 0.14 120.51 125.69 1s6l n ALA 166 Ca -0.17 0.61 0.13 0.00 0.00 0.00 0.00 53.44 54.01 1s6l n ALA 166 Cb 0.56 -1.02 0.02 0.00 0.00 0.00 0.00 19.45 19.00 1s6l n ALA 166 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1s6l n SER 167 N -3.82 -1.49 0.06 0.00 7.64 -1.26 -3.29 113.62 111.47 1s6l n SER 167 Ca 0.40 -1.59 -0.04 0.00 1.01 0.00 0.00 58.87 58.64 1s6l n SER 167 Cb 1.78 2.37 0.17 0.00 -1.01 0.00 0.00 64.21 67.53 1s6l n SER 167 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 1s6l h VAL 168 N 2.00 1.32 -0.17 0.44 2.07 -1.84 0.71 116.25 120.78 1s6l h VAL 168 Ca -0.24 -1.62 -0.21 0.00 0.82 0.00 0.00 66.70 65.44 1s6l h VAL 168 Cb 1.20 1.71 0.01 0.00 -1.52 0.00 0.00 31.29 32.68 1s6l h VAL 168 CO 0.34 0.49 -0.72 -0.65 0.02 0.00 0.00 177.57 177.05 1s6l h PRO 169 N 0.27 0.75 0.04 1.57 0.11 -1.95 0.83 132.00 133.62 1s6l h PRO 169 Ca 0.02 -0.58 -0.28 0.00 0.11 0.00 0.00 66.00 65.28 1s6l h PRO 169 Cb 0.90 0.11 0.02 0.00 0.11 0.00 0.00 31.00 32.14 1s6l h PRO 169 CO 0.07 1.19 -1.10 1.15 -0.21 0.00 0.00 178.00 179.10 1s6l h THR 170 N 0.53 1.29 -0.38 -1.15 2.02 -1.94 5.29 112.91 118.56 1s6l h THR 170 Ca -0.03 -2.32 -0.01 0.00 0.77 0.00 0.00 66.41 64.81 1s6l h THR 170 Cb 1.33 2.47 -0.02 0.00 -1.74 0.00 0.00 68.15 70.20 1s6l h THR 170 CO 0.15 0.71 0.21 0.00 0.37 0.00 0.00 175.52 176.96 1s6l h ALA 171 N 0.39 0.49 0.00 6.16 0.00 0.49 1.12 119.26 127.91 1s6l h ALA 171 Ca -0.14 -0.08 -0.15 0.00 0.00 0.00 0.00 54.91 54.54 1s6l h ALA 171 Cb 1.76 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 19.38 1s6l h ALA 171 CO 0.21 0.01 -0.70 0.93 0.00 0.00 0.00 179.25 179.71 1s6l h GLU 172 N 0.49 0.00 0.28 0.00 5.08 0.78 0.25 114.58 121.45 1s6l h GLU 172 Ca 0.13 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.48 1s6l h GLU 172 Cb 0.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.31 1s6l h GLU 172 CO -0.02 0.70 -0.14 0.22 -1.00 0.00 0.00 179.01 178.77 1s6l h ASP 173 N 0.00 -0.32 0.29 1.42 1.82 1.15 0.73 116.42 121.50 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 1.49 0.08 -0.01 0.00 0.68 0.00 0.00 39.33 41.58 1s6l h ASP 173 CO 0.09 0.14 -0.20 -0.25 -1.61 0.00 0.00 179.24 177.41 1s6l h TRP 174 N -0.91 0.00 -0.50 0.28 2.91 0.12 -1.68 115.95 116.17 1s6l h TRP 174 Ca -0.04 0.00 -0.10 0.00 1.13 0.00 0.00 58.89 59.88 1s6l h TRP 174 Cb 0.51 0.00 -0.02 0.00 -0.51 0.00 0.00 29.16 29.14 1s6l h TRP 174 CO 0.05 0.20 -0.10 0.00 -1.03 0.00 0.00 178.44 177.56 1s6l h ALA 175 N 1.80 0.87 -0.86 2.65 0.00 -0.82 -2.78 119.26 120.11 1s6l h ALA 175 Ca -0.00 -0.34 0.16 0.00 0.00 0.00 0.00 54.91 54.73 1s6l h ALA 175 Cb 0.40 -0.19 -0.10 0.00 0.00 0.00 0.00 17.79 17.90 1s6l h ALA 175 CO 0.03 0.64 0.43 1.03 0.00 0.00 0.00 179.25 181.38 1s6l h SER 176 N 0.83 0.50 -0.43 0.00 0.87 0.14 0.48 113.55 115.94 1s6l h SER 176 Ca 0.13 0.10 -0.02 0.00 -1.23 0.00 0.00 61.79 60.78 1s6l h SER 176 Cb 0.63 0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 62.61 1s6l h SER 176 CO 0.04 0.18 0.02 0.29 -0.53 0.00 0.00 176.83 176.84 1s6l n LYS 177 N -4.90 3.72 -0.99 2.24 5.02 -1.08 -3.88 118.16 118.29 1s6l n LYS 177 Ca 0.18 -2.26 0.05 0.00 -2.02 0.00 0.00 58.31 54.26 1s6l n LYS 177 Cb 0.47 -2.05 0.12 0.00 -0.02 0.00 0.00 35.03 33.56 1s6l n LYS 177 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1s6l n HIS 178 N 0.39 0.00 -1.81 2.13 8.25 0.17 -5.07 115.22 119.28 1s6l n HIS 178 Ca 0.21 -0.99 0.00 0.00 -0.26 0.00 0.00 57.72 56.68 1s6l n HIS 178 Cb 0.95 -0.20 0.00 0.00 1.12 0.00 0.00 29.99 31.87 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 -0.36 1.11 0.00 -0.41 1.13 -1.13 -4.65 117.38 113.07 1s6l n GLN 179 Ca 0.13 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.19 1s6l n GLN 179 Cb 0.90 0.00 0.00 0.00 0.11 0.00 0.00 30.24 31.25 1s6l n GLN 179 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1s6l n GLY 180 N 5.00 2.86 1.70 1.08 0.00 -1.26 -5.04 105.19 109.54 1s6l n GLY 180 Ca 0.00 -0.22 -0.16 0.00 0.00 0.00 0.00 46.02 45.65 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 0.00 0.00 -2.16 0.99 4.77 -1.26 -4.88 117.00 114.46 1s6l n LEU 181 Ca 0.00 -0.45 -0.25 0.00 -0.03 0.00 0.00 56.01 55.28 1s6l n LEU 181 Cb 0.00 -0.53 0.13 0.00 -2.33 0.00 0.00 43.42 40.69 1s6l n LEU 181 CO 0.00 -2.20 1.28 -0.62 -1.33 0.00 0.00 177.39 174.52 1s6l n GLU 182 N -3.84 2.26 0.00 3.23 1.02 -1.24 -4.91 120.64 117.17 1s6l n GLU 182 Ca 0.07 -2.80 0.00 0.00 -0.02 0.00 0.00 57.16 54.42 1s6l n GLU 182 Cb 0.31 -2.10 0.00 0.00 -0.02 0.00 0.00 31.44 29.63 1s6l n GLU 182 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1s6l n GLY 183 N -0.88 -1.07 2.00 0.62 0.00 -1.09 -4.52 105.19 100.25 1s6l n GLY 183 Ca 0.55 0.44 0.00 0.00 0.00 0.00 0.00 46.02 47.01 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 -5.87 -3.92 0.99 7.94 -1.26 -4.82 117.00 110.07 1s6l n LEU 184 Ca 0.00 3.01 -0.10 0.00 -1.11 0.00 0.00 56.01 57.81 1s6l n LEU 184 Cb 0.00 -3.02 -0.10 0.00 0.53 0.00 0.00 43.42 40.83 1s6l n LEU 184 CO 0.00 -1.77 -0.25 0.00 -1.11 0.00 0.00 177.39 174.26 1s6l s ALA 185 N -0.49 -0.14 0.25 1.96 0.00 -0.70 -4.94 121.76 117.70 1s6l s ALA 185 Ca 0.00 -0.33 0.05 0.00 0.00 0.00 0.00 51.96 51.68 1s6l s ALA 185 Cb 0.00 0.13 -0.03 0.00 0.00 0.00 0.00 23.12 23.22 1s6l s ALA 185 CO 0.00 -0.19 0.37 0.42 0.00 0.00 0.00 175.76 176.36 1s6l s ILE 186 N -1.46 5.18 0.10 0.00 -1.09 -1.26 -0.16 121.20 122.52 1s6l s ILE 186 Ca -0.15 -0.98 -0.22 0.00 -2.23 0.00 0.00 60.65 57.08 1s6l s ILE 186 Cb -0.08 -3.83 0.06 0.00 -1.58 0.00 0.00 42.46 37.02 1s6l s ILE 186 CO 0.00 -0.33 0.54 0.68 -1.23 0.00 0.00 174.94 174.61 1s6l s VAL 187 N -2.00 0.02 -0.16 2.92 -7.23 0.15 -4.95 120.40 109.15 1s6l s VAL 187 Ca 0.35 -0.20 -0.22 0.00 -1.81 0.00 0.00 61.98 60.10 1s6l s VAL 187 Cb -0.09 -1.03 -0.03 0.00 0.56 0.00 0.00 36.38 35.79 1s6l s VAL 187 CO 0.29 -0.11 0.65 -0.44 -0.31 0.00 0.00 175.10 175.18 1s6l s SER 188 N -2.42 6.78 0.65 4.85 0.01 -1.26 0.16 113.70 122.46 1s6l s SER 188 Ca -0.01 0.94 0.17 0.00 1.31 0.00 0.00 55.95 58.35 1s6l s SER 188 Cb -0.00 -2.37 0.83 0.00 0.21 0.00 0.00 66.02 64.69 1s6l s SER 188 CO -0.08 -0.23 1.45 1.62 0.41 0.00 0.00 173.24 176.41 1s6l h VAL 189 N 5.05 0.04 -0.52 3.43 3.04 -1.89 1.84 116.25 127.23 1s6l h VAL 189 Ca -0.34 0.00 -0.12 0.00 -1.01 0.00 0.00 66.70 65.23 1s6l h VAL 189 Cb 1.16 0.30 -0.02 0.00 -2.01 0.00 0.00 31.29 30.72 1s6l h VAL 189 CO 0.77 0.00 -0.15 0.45 -1.01 0.00 0.00 177.57 177.64 1s6l h HIS 190 N 0.00 1.16 0.00 3.17 3.86 -1.91 -2.65 115.15 118.77 1s6l h HIS 190 Ca 0.08 -0.26 -0.18 0.00 -1.16 0.00 0.00 60.37 58.86 1s6l h HIS 190 Cb 1.56 -0.28 -0.03 0.00 1.06 0.00 0.00 27.41 29.73 1s6l h HIS 190 CO 0.00 1.08 -0.95 0.93 0.86 0.00 0.00 177.93 179.86 1s6l h GLU 191 N 0.90 0.00 0.00 2.45 5.08 0.24 -3.25 114.58 119.99 1s6l h GLU 191 Ca 0.13 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.48 1s6l h GLU 191 Cb 0.72 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.97 1s6l h GLU 191 CO 0.06 0.68 -0.04 0.00 -1.00 0.00 0.00 179.01 178.70 1s6l h ALA 192 N 1.23 1.40 0.00 3.43 0.00 -0.64 -0.02 119.26 124.67 1s6l h ALA 192 Ca -0.06 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.72 1s6l h ALA 192 Cb 1.64 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.41 1s6l h ALA 192 CO 0.09 0.05 -0.46 0.74 0.00 0.00 0.00 179.25 179.67 1s6l h PHE 193 N 0.00 0.00 0.00 0.00 -1.00 -1.51 -0.89 116.94 113.55 1s6l h PHE 193 Ca -0.00 0.00 -0.23 0.00 2.81 0.00 0.00 57.97 60.55 1s6l h PHE 193 Cb 0.12 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 39.65 1s6l h PHE 193 CO 0.00 0.46 -1.18 0.78 -1.61 0.00 0.00 178.31 176.76 1s6l h GLY 194 N 3.40 0.00 1.77 -1.45 0.00 -1.17 0.26 103.07 105.89 1s6l h GLY 194 Ca -0.00 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 47.13 1s6l h GLY 194 CO 0.06 0.00 -1.02 -2.00 0.00 0.00 0.00 176.54 173.58 1s6l h LEU 195 N 0.00 0.00 0.00 3.11 6.46 -1.28 -1.08 115.31 122.52 1s6l h LEU 195 Ca -0.09 0.00 -0.20 0.00 -0.12 0.00 0.00 57.88 57.48 1s6l h LEU 195 Cb 1.82 0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 41.71 1s6l h LEU 195 CO 0.11 0.85 -1.17 1.23 -0.62 0.00 0.00 178.44 178.85 1s6l h GLY 196 N 3.24 0.00 1.78 3.75 0.00 -1.18 -3.09 103.07 107.57 1s6l h GLY 196 Ca -0.06 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.14 1s6l h GLY 196 CO 0.10 0.00 -0.73 -1.61 0.00 0.00 0.00 176.54 174.30 1s6l h GLN 197 N 0.00 0.00 0.00 4.80 4.15 -0.48 -3.26 115.11 120.32 1s6l h GLN 197 Ca -0.11 0.00 -0.06 0.00 0.77 0.00 0.00 58.65 59.24 1s6l h GLN 197 Cb 1.70 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 29.38 1s6l h GLN 197 CO 0.08 0.49 -0.39 0.93 -1.93 0.00 0.00 178.83 178.01 1s6l h GLU 198 N 0.00 0.00 -1.00 1.69 5.08 -1.27 -3.31 114.58 115.77 1s6l h GLU 198 Ca -0.04 0.00 0.18 0.00 -1.00 0.00 0.00 59.36 58.50 1s6l h GLU 198 Cb 1.45 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 30.60 1s6l h GLU 198 CO 0.07 0.28 0.62 0.35 -1.00 0.00 0.00 179.01 179.32 1s6l h PHE 199 N 0.00 1.05 0.00 4.33 3.04 -1.58 0.33 116.94 124.12 1s6l h PHE 199 Ca -0.01 0.03 -0.02 0.00 3.98 0.00 0.00 57.97 61.95 1s6l h PHE 199 Cb 1.24 -0.32 0.00 0.00 2.56 0.00 0.00 35.95 39.43 1s6l h PHE 199 CO 0.00 0.27 -0.07 -2.95 -2.02 0.00 0.00 178.31 173.54 1s6l h ASN 200 N 0.78 0.06 -0.97 0.41 7.08 -1.76 0.69 115.58 121.86 1s6l h ASN 200 Ca 0.56 -0.80 0.09 0.00 -3.08 0.00 0.00 56.30 53.06 1s6l h ASN 200 Cb 0.85 -0.02 -0.07 0.00 -2.08 0.00 0.00 38.32 37.00 1s6l h ASN 200 CO -0.35 0.86 0.63 0.03 -2.08 0.00 0.00 177.43 176.51 1s6l h ARG 201 N -0.73 1.02 0.14 4.14 -0.00 -1.51 -0.05 114.38 117.39 1s6l h ARG 201 Ca -0.01 -0.06 -0.18 0.00 -0.50 0.00 0.00 59.98 59.23 1s6l h ARG 201 Cb 0.87 -0.23 0.02 0.00 0.00 0.00 0.00 29.97 30.63 1s6l h ARG 201 CO 0.01 0.68 -0.78 1.25 0.00 0.00 0.00 179.97 181.13 1s6l h HIS 202 N 1.05 0.52 -0.03 3.04 2.76 -0.44 -3.07 115.15 118.99 1s6l h HIS 202 Ca 0.44 -0.38 0.01 0.00 -2.20 0.00 0.00 60.37 58.24 1s6l h HIS 202 Cb 0.31 -0.02 -0.00 0.00 1.55 0.00 0.00 27.41 29.25 1s6l h HIS 202 CO -0.00 1.30 0.05 1.25 -1.30 0.00 0.00 177.93 179.23 1s6l h LEU 203 N -0.40 0.00 0.00 0.26 5.85 -0.51 -2.64 115.31 117.87 1s6l h LEU 203 Ca -0.14 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.57 1s6l h LEU 203 Cb 1.61 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.64 1s6l h LEU 203 CO 0.15 0.00 -0.11 0.25 -0.34 0.00 0.00 178.44 178.38 1s6l h LEU 204 N 0.00 0.00 -7.79 2.25 5.85 -1.06 -3.41 115.31 111.15 1s6l h LEU 204 Ca 0.01 -0.75 -0.79 0.00 0.84 0.00 0.00 57.88 57.20 1s6l h LEU 204 Cb 0.12 0.00 -0.27 0.00 0.37 0.00 0.00 40.66 40.89 1s6l h LEU 204 CO -0.00 0.94 0.11 -1.58 -0.34 0.00 0.00 178.44 177.57 1s6l s GLN 205 N -2.10 3.62 0.00 1.25 -0.44 -0.99 -4.60 119.66 116.39 1s6l s GLN 205 Ca -0.16 -2.55 0.00 0.00 -2.50 0.00 0.00 55.36 50.15 1s6l s GLN 205 Cb -0.02 -4.41 0.00 0.00 -1.64 0.00 0.00 33.01 26.95 1s6l s GLN 205 CO 0.54 -1.28 0.00 0.25 0.50 0.00 0.00 175.29 175.30 1s6l n THR 206 N 3.80 0.00 -4.18 -0.34 -2.24 -1.24 -4.79 114.28 105.29 1s6l n THR 206 Ca 0.15 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.77 1s6l n THR 206 Cb 0.46 -0.26 -0.07 0.00 -2.10 0.00 0.00 70.33 68.36 1s6l n THR 206 CO 0.00 0.00 0.00 -0.32 -0.57 0.00 0.00 175.07 174.18 1s6l s MET 207 N -1.74 1.72 -0.01 -0.78 1.75 -1.26 -5.08 119.30 113.91 1s6l s MET 207 Ca 0.00 -1.81 -0.02 0.00 -1.25 0.00 0.00 55.69 52.61 1s6l s MET 207 Cb 0.00 0.37 0.01 0.00 2.84 0.00 0.00 34.83 38.05 1s6l s MET 207 CO 0.00 -0.67 0.03 0.43 -0.65 0.00 0.00 175.02 174.16 1s6l n SER 208 N -1.24 -8.34 -4.57 1.11 7.64 -1.26 -4.74 113.62 102.23 1s6l n SER 208 Ca 0.04 1.77 -0.36 0.00 1.01 0.00 0.00 58.87 61.33 1s6l n SER 208 Cb 0.63 -5.15 -0.03 0.00 -1.01 0.00 0.00 64.21 58.64 1s6l n SER 208 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1s6l s SER 209 N -0.60 6.00 0.03 6.43 0.01 -1.26 -4.58 113.70 119.74 1s6l s SER 209 Ca -0.04 -1.65 0.00 0.00 1.31 0.00 0.00 55.95 55.57 1s6l s SER 209 Cb 0.00 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.66 1s6l s SER 209 CO 0.10 -2.01 0.00 0.54 0.41 0.00 0.00 173.24 172.28 1s6l n ARG 210 N 8.60 -5.18 0.04 12.44 3.00 -1.26 -4.89 116.66 129.41 1s6l n ARG 210 Ca 0.42 3.76 -0.07 0.00 -0.01 0.00 0.00 57.85 61.95 1s6l n ARG 210 Cb 0.48 -4.66 0.10 0.00 0.00 0.00 0.00 32.46 28.38 1s6l n ARG 210 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1s6l h THR 211 N 4.22 1.34 0.00 0.55 1.03 -1.95 -3.55 112.91 114.55 1s6l h THR 211 Ca 0.00 -1.80 0.00 0.00 -0.01 0.00 0.00 66.41 64.60 1s6l h THR 211 Cb 0.00 1.81 0.00 0.00 -1.07 0.00 0.00 68.15 68.89 1s6l h THR 211 CO 0.00 0.55 0.00 -2.65 -0.01 0.00 0.00 175.52 173.41