#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 1.26 -4.44 0.00 8.00 -1.26 -4.97 116.55 115.14 1s6l n ASP 22 Ca 0.00 0.19 -0.40 0.00 0.71 0.00 0.00 54.79 55.30 1s6l n ASP 22 Cb 0.00 -0.50 -0.11 0.00 -0.02 0.00 0.00 41.12 40.49 1s6l n ASP 22 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1s6l s LEU 23 N -7.01 4.40 0.15 0.64 1.43 -1.26 -4.97 118.68 112.07 1s6l s LEU 23 Ca -0.12 -0.66 -0.12 0.00 -1.03 0.00 0.00 54.13 52.20 1s6l s LEU 23 Cb 0.02 -2.04 0.00 0.00 0.03 0.00 0.00 46.19 44.20 1s6l s LEU 23 CO 0.18 -0.27 1.56 0.25 0.23 0.00 0.00 176.35 178.31 1s6l h LEU 24 N 8.41 0.91 -3.43 1.79 6.46 -2.01 -3.48 115.31 123.96 1s6l h LEU 24 Ca -0.30 -0.36 -0.25 0.00 -0.12 0.00 0.00 57.88 56.85 1s6l h LEU 24 Cb 1.13 -0.25 0.01 0.00 -0.73 0.00 0.00 40.66 40.83 1s6l h LEU 24 CO 0.64 1.06 -1.12 1.33 -0.62 0.00 0.00 178.44 179.72 1s6l n VAL 25 N -4.24 -3.69 0.32 1.05 0.24 -1.26 -4.82 118.33 105.93 1s6l n VAL 25 Ca 0.00 0.27 0.15 0.00 -2.04 0.00 0.00 64.34 62.72 1s6l n VAL 25 Cb 0.39 -3.56 0.64 0.00 -1.47 0.00 0.00 33.84 29.84 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 2.59 0.00 0.12 7.34 0.13 -1.99 -3.23 132.00 136.95 1s6l h PRO 26 Ca -0.36 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 64.79 1s6l h PRO 26 Cb 1.24 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.33 1s6l h PRO 26 CO 0.15 0.00 -0.41 1.25 -0.23 0.00 0.00 178.00 178.76 1s6l h LEU 27 N 0.00 -1.22 -1.14 1.56 5.85 -2.00 -0.16 115.31 118.21 1s6l h LEU 27 Ca 0.00 0.14 -0.07 0.00 0.84 0.00 0.00 57.88 58.78 1s6l h LEU 27 Cb 0.34 0.46 -0.01 0.00 0.37 0.00 0.00 40.66 41.81 1s6l h LEU 27 CO 0.00 -0.49 -0.36 -0.07 -0.34 0.00 0.00 178.44 177.19 1s6l h LEU 28 N -0.65 0.00 0.31 2.25 -0.00 -1.91 -1.15 115.31 114.16 1s6l h LEU 28 Ca 0.02 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.89 1s6l h LEU 28 Cb 0.68 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.34 1s6l h LEU 28 CO -0.24 0.36 -0.16 -0.09 -0.00 0.00 0.00 178.44 178.31 1s6l h ARG 29 N 0.00 -0.42 0.00 1.13 1.12 -1.36 0.93 114.38 115.78 1s6l h ARG 29 Ca -0.00 0.03 -0.05 0.00 -1.11 0.00 0.00 59.98 58.85 1s6l h ARG 29 Cb 0.78 0.10 -0.01 0.00 -0.01 0.00 0.00 29.97 30.83 1s6l h ARG 29 CO 0.05 -0.28 -0.23 1.49 -3.11 0.00 0.00 179.97 177.89 1s6l h GLU 30 N -0.44 0.00 -0.08 0.20 4.22 -1.01 -3.12 114.58 114.36 1s6l h GLU 30 Ca -0.04 0.00 -0.00 0.00 0.08 0.00 0.00 59.36 59.40 1s6l h GLU 30 Cb 0.34 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.59 1s6l h GLU 30 CO 0.06 0.23 0.03 1.25 -2.18 0.00 0.00 179.01 178.40 1s6l h LEU 31 N 0.00 0.11 -2.25 1.64 6.46 -0.25 -2.16 115.31 118.86 1s6l h LEU 31 Ca -0.00 -0.16 0.03 0.00 -0.12 0.00 0.00 57.88 57.63 1s6l h LEU 31 Cb 0.79 -0.03 -0.00 0.00 -0.73 0.00 0.00 40.66 40.69 1s6l h LEU 31 CO 0.03 0.24 0.25 0.00 -0.62 0.00 0.00 178.44 178.34 1s6l h ALA 32 N 0.88 1.47 0.00 1.25 0.00 -0.78 0.58 119.26 122.66 1s6l h ALA 32 Ca 0.03 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 1s6l h ALA 32 Cb 0.16 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1s6l h ALA 32 CO -0.00 -0.30 -0.26 -0.22 0.00 0.00 0.00 179.25 178.47 1s6l h LYS 33 N 0.00 0.00 -5.58 0.00 3.64 -1.47 -3.46 116.57 109.70 1s6l h LYS 33 Ca 0.04 0.00 -0.39 0.00 -1.27 0.00 0.00 60.65 59.04 1s6l h LYS 33 Cb 0.54 0.00 0.13 0.00 -0.41 0.00 0.00 32.23 32.49 1s6l h LYS 33 CO -0.00 0.26 -0.65 0.41 -2.27 0.00 0.00 179.45 177.19 1s6l n GLY 34 N 0.20 -0.50 3.12 5.01 0.00 0.20 -5.01 105.19 108.20 1s6l n GLY 34 Ca 0.00 0.22 -0.16 0.00 0.00 0.00 0.00 46.02 46.08 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 -6.23 0.68 -0.41 1.61 1.81 -1.26 -5.09 118.95 110.06 1s6l s ARG 35 Ca 0.55 -0.86 -0.31 0.00 -1.72 0.00 0.00 55.73 53.38 1s6l s ARG 35 Cb -0.24 -0.56 -0.10 0.00 -0.45 0.00 0.00 34.95 33.60 1s6l s ARG 35 CO 0.68 0.12 2.29 -2.30 -0.68 0.00 0.00 175.30 175.41 1s6l n PRO 36 N 1.36 1.16 -3.45 3.54 -0.02 -1.26 -4.92 135.00 131.40 1s6l n PRO 36 Ca -0.22 0.25 -0.42 0.00 -2.02 0.00 0.00 63.50 61.09 1s6l n PRO 36 Cb 0.54 -2.74 -0.10 0.00 -0.02 0.00 0.00 33.50 31.19 1s6l n PRO 36 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1s6l s VAL 37 N 8.70 5.23 0.65 -1.45 0.11 -1.26 -5.07 120.40 127.31 1s6l s VAL 37 Ca 1.08 -0.41 0.01 0.00 -2.93 0.00 0.00 61.98 59.73 1s6l s VAL 37 Cb -0.65 -3.87 0.10 0.00 -1.53 0.00 0.00 36.38 30.43 1s6l s VAL 37 CO 0.41 -0.22 0.90 -0.94 -3.33 0.00 0.00 175.10 171.93 1s6l s SER 38 N 1.72 4.71 0.19 3.54 1.04 -1.26 -3.12 113.70 120.50 1s6l s SER 38 Ca 0.07 -0.33 -0.09 0.00 0.48 0.00 0.00 55.95 56.08 1s6l s SER 38 Cb -0.18 -0.22 0.09 0.00 0.10 0.00 0.00 66.02 65.81 1s6l s SER 38 CO 0.11 -1.59 1.68 0.03 0.98 0.00 0.00 173.24 174.45 1s6l h ARG 39 N -0.27 1.09 0.00 4.02 -0.00 -1.97 0.54 114.38 117.79 1s6l h ARG 39 Ca -0.37 -0.30 -0.03 0.00 -0.50 0.00 0.00 59.98 58.78 1s6l h ARG 39 Cb 1.28 -0.12 -0.00 0.00 0.00 0.00 0.00 29.97 31.12 1s6l h ARG 39 CO 0.44 1.00 -0.14 1.79 0.00 0.00 0.00 179.97 183.06 1s6l h THR 40 N 1.01 0.61 0.12 2.04 1.35 -1.95 1.61 112.91 117.70 1s6l h THR 40 Ca 0.20 -0.62 -0.29 0.00 -0.55 0.00 0.00 66.41 65.16 1s6l h THR 40 Cb 0.45 1.39 -0.00 0.00 -1.73 0.00 0.00 68.15 68.26 1s6l h THR 40 CO 0.01 0.14 -1.46 0.74 -0.25 0.00 0.00 175.52 174.70 1s6l h THR 41 N 0.00 1.01 -0.52 6.82 2.02 -1.77 0.95 112.91 121.41 1s6l h THR 41 Ca -0.00 -2.41 -0.04 0.00 0.77 0.00 0.00 66.41 64.74 1s6l h THR 41 Cb 0.38 2.71 -0.03 0.00 -1.74 0.00 0.00 68.15 69.48 1s6l h THR 41 CO 0.02 0.72 0.18 0.25 0.37 0.00 0.00 175.52 177.06 1s6l h LEU 42 N -0.26 0.70 -0.12 2.58 5.85 0.45 1.95 115.31 126.46 1s6l h LEU 42 Ca -0.31 -0.10 -0.15 0.00 0.84 0.00 0.00 57.88 58.16 1s6l h LEU 42 Cb 1.80 -0.18 0.01 0.00 0.37 0.00 0.00 40.66 42.65 1s6l h LEU 42 CO 0.07 0.66 -0.53 0.00 -0.34 0.00 0.00 178.44 178.30 1s6l h ALA 43 N 1.45 0.23 -0.03 1.25 0.00 0.23 0.77 119.26 123.15 1s6l h ALA 43 Ca 0.18 -0.51 -0.10 0.00 0.00 0.00 0.00 54.91 54.48 1s6l h ALA 43 Cb 0.20 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1s6l h ALA 43 CO -0.01 0.43 -0.43 0.78 0.00 0.00 0.00 179.25 180.02 1s6l h GLY 44 N 0.20 0.07 0.69 0.00 0.00 0.19 0.27 103.07 104.49 1s6l h GLY 44 Ca -0.03 -0.07 -0.16 0.00 0.00 0.00 0.00 47.33 47.06 1s6l h GLY 44 CO 0.11 0.06 -0.69 -2.22 0.00 0.00 0.00 176.54 173.80 1s6l h ILE 45 N 0.06 1.50 0.00 2.60 2.04 0.31 -3.15 117.51 120.87 1s6l h ILE 45 Ca 0.00 -2.35 0.00 0.00 1.00 0.00 0.00 64.86 63.51 1s6l h ILE 45 Cb 0.78 2.99 0.00 0.00 -0.74 0.00 0.00 36.82 39.86 1s6l h ILE 45 CO 0.06 0.67 0.00 0.18 0.00 0.00 0.00 178.15 179.06 1s6l n LEU 46 N -4.19 0.00 -1.76 1.44 4.32 0.26 -4.83 117.00 112.24 1s6l n LEU 46 Ca -0.12 0.49 -0.21 0.00 -0.02 0.00 0.00 56.01 56.15 1s6l n LEU 46 Cb 0.75 -0.49 -0.07 0.00 -1.62 0.00 0.00 43.42 41.98 1s6l n LEU 46 CO 0.47 -0.11 -0.21 -0.67 -1.22 0.00 0.00 177.39 175.65 1s6l n ASP 47 N -1.49 -5.54 -4.65 -1.43 2.03 0.73 -4.95 116.55 101.26 1s6l n ASP 47 Ca 0.06 0.41 -0.32 0.00 0.52 0.00 0.00 54.79 55.46 1s6l n ASP 47 Cb 0.26 -4.83 -0.09 0.00 -0.72 0.00 0.00 41.12 35.74 1s6l n ASP 47 CO 0.00 0.00 0.00 0.26 -1.92 0.00 0.00 177.20 175.54 1s6l s TRP 48 N -2.81 2.98 0.41 -0.67 0.51 0.03 -4.99 118.94 114.39 1s6l s TRP 48 Ca 0.00 0.01 -0.25 0.00 -2.12 0.00 0.00 56.10 53.74 1s6l s TRP 48 Cb 0.00 -1.61 -0.11 0.00 -0.81 0.00 0.00 33.47 30.94 1s6l s TRP 48 CO 0.00 0.44 1.05 -2.30 -0.51 0.00 0.00 176.95 175.63 1s6l n PRO 49 N 1.22 1.45 0.23 4.98 -0.02 -1.26 -4.42 135.00 137.17 1s6l n PRO 49 Ca -0.14 0.52 0.10 0.00 -2.02 0.00 0.00 63.50 61.96 1s6l n PRO 49 Cb 0.52 -2.08 0.56 0.00 -0.02 0.00 0.00 33.50 32.49 1s6l n PRO 49 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1s6l h ALA 50 N 1.67 1.23 0.06 3.55 0.00 -1.90 0.87 119.26 124.74 1s6l h ALA 50 Ca -0.45 0.00 -0.24 0.00 0.00 0.00 0.00 54.91 54.23 1s6l h ALA 50 Cb 1.33 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.12 1s6l h ALA 50 CO 0.58 -0.23 -1.08 1.05 0.00 0.00 0.00 179.25 179.56 1s6l h GLU 51 N 0.00 0.22 -0.44 0.00 4.11 -1.97 -1.27 114.58 115.22 1s6l h GLU 51 Ca 0.00 -0.32 -0.11 0.00 0.07 0.00 0.00 59.36 59.00 1s6l h GLU 51 Cb 0.58 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.92 1s6l h GLU 51 CO 0.00 1.11 -0.17 0.00 0.07 0.00 0.00 179.01 180.02 1s6l h ARG 52 N 0.08 0.90 -0.19 1.06 3.08 -1.16 0.27 114.38 118.43 1s6l h ARG 52 Ca -0.08 -0.37 -0.01 0.00 0.07 0.00 0.00 59.98 59.58 1s6l h ARG 52 Cb 1.78 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 31.79 1s6l h ARG 52 CO 0.17 1.02 0.07 0.28 -1.07 0.00 0.00 179.97 180.45 1s6l h VAL 53 N 0.73 1.16 -0.17 2.04 2.07 -1.55 -2.53 116.25 118.01 1s6l h VAL 53 Ca 0.11 -0.49 0.05 0.00 0.82 0.00 0.00 66.70 67.18 1s6l h VAL 53 Cb 0.73 1.14 -0.06 0.00 -1.52 0.00 0.00 31.29 31.58 1s6l h VAL 53 CO 0.06 0.16 -0.18 0.00 0.02 0.00 0.00 177.57 177.62 1s6l h ALA 54 N 0.91 -0.09 -1.01 1.67 0.00 -0.94 -0.67 119.26 119.13 1s6l h ALA 54 Ca 0.06 0.06 0.25 0.00 0.00 0.00 0.00 54.91 55.28 1s6l h ALA 54 Cb 0.18 0.38 -0.09 0.00 0.00 0.00 0.00 17.79 18.25 1s6l h ALA 54 CO -0.00 -0.63 0.65 0.00 0.00 0.00 0.00 179.25 179.27 1s6l h ALA 55 N 0.84 2.16 -0.61 0.00 0.00 -0.24 0.32 119.26 121.73 1s6l h ALA 55 Ca 0.11 0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.10 1s6l h ALA 55 Cb 0.38 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 1s6l h ALA 55 CO -0.29 -0.54 0.41 0.28 0.00 0.00 0.00 179.25 179.10 1s6l h VAL 56 N 0.44 1.12 -0.23 0.00 2.07 -0.69 -1.25 116.25 117.71 1s6l h VAL 56 Ca 0.58 -0.26 -0.01 0.00 0.82 0.00 0.00 66.70 67.82 1s6l h VAL 56 Cb 1.38 0.28 -0.01 0.00 -1.52 0.00 0.00 31.29 31.42 1s6l h VAL 56 CO -0.29 0.14 0.10 -0.07 0.02 0.00 0.00 177.57 177.47 1s6l h LEU 57 N 0.77 0.28 -1.52 2.57 4.07 -0.27 0.72 115.31 121.93 1s6l h LEU 57 Ca 0.24 -0.02 0.04 0.00 0.08 0.00 0.00 57.88 58.22 1s6l h LEU 57 Cb -0.00 -0.07 -0.03 0.00 1.08 0.00 0.00 40.66 41.64 1s6l h LEU 57 CO -0.06 0.25 0.37 -0.08 -1.08 0.00 0.00 178.44 177.84 1s6l h GLU 58 N 0.32 0.60 0.00 1.13 4.57 -1.22 -0.25 114.58 119.73 1s6l h GLU 58 Ca 0.08 -0.04 -0.02 0.00 -1.18 0.00 0.00 59.36 58.21 1s6l h GLU 58 Cb 0.05 -0.13 -0.00 0.00 -0.16 0.00 0.00 28.75 28.50 1s6l h GLU 58 CO -0.01 0.39 -2.01 0.00 -1.18 0.00 0.00 179.01 176.21 1s6l n GLN 59 N -4.47 0.66 -1.24 1.92 10.64 -0.58 -4.29 117.38 120.02 1s6l n GLN 59 Ca 0.07 -0.19 -0.25 0.00 -1.83 0.00 0.00 57.00 54.80 1s6l n GLN 59 Cb 0.16 -1.52 0.15 0.00 -0.86 0.00 0.00 30.24 28.17 1s6l n GLN 59 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1s6l n ALA 60 N -2.27 5.64 0.33 2.61 0.00 0.24 -4.55 120.51 122.51 1s6l n ALA 60 Ca -0.05 -3.15 0.10 0.00 0.00 0.00 0.00 53.44 50.34 1s6l n ALA 60 Cb 0.59 -1.41 0.47 0.00 0.00 0.00 0.00 19.45 19.10 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 -1.06 0.97 0.08 0.00 -2.24 -0.16 -1.96 114.28 109.92 1s6l n THR 61 Ca 0.57 0.37 0.05 0.00 -2.27 0.00 0.00 64.05 62.76 1s6l n THR 61 Cb 1.26 -1.30 -0.03 0.00 -2.10 0.00 0.00 70.33 68.16 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 -3.72 3.42 4.64 -1.86 -3.47 113.55 112.55 1s6l h SER 62 Ca 0.00 0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 60.77 1s6l h SER 62 Cb 0.24 0.00 0.12 0.00 -0.31 0.00 0.00 62.40 62.45 1s6l h SER 62 CO 0.00 0.36 0.63 0.41 -0.87 0.00 0.00 176.83 177.36 1s6l n THR 63 N -2.89 2.38 -2.63 2.95 -1.04 -0.83 -4.94 114.28 107.29 1s6l n THR 63 Ca -0.04 -0.50 -0.42 0.00 -2.04 0.00 0.00 64.05 61.04 1s6l n THR 63 Cb 0.72 -1.76 -0.03 0.00 -1.82 0.00 0.00 70.33 67.45 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 -2.19 4.45 0.47 -2.82 2.12 -1.26 -5.03 118.70 114.44 1s6l s GLU 64 Ca 0.58 1.48 0.08 0.00 0.36 0.00 0.00 54.97 57.47 1s6l s GLU 64 Cb -0.49 -3.51 0.03 0.00 0.26 0.00 0.00 34.13 30.42 1s6l s GLU 64 CO 0.60 -0.26 0.58 0.71 -0.54 0.00 0.00 175.26 176.35 1s6l s TYR 65 N 1.70 2.29 0.19 5.30 2.02 -1.26 -2.90 117.35 124.69 1s6l s TYR 65 Ca 0.52 -0.55 0.02 0.00 -0.37 0.00 0.00 57.07 56.69 1s6l s TYR 65 Cb -0.21 -2.25 0.03 0.00 -0.40 0.00 0.00 41.96 39.13 1s6l s TYR 65 CO 0.22 -0.58 0.26 -3.47 -1.57 0.00 0.00 175.55 170.42 1s6l n ASP 66 N -1.90 0.54 0.02 2.29 -0.08 0.19 -4.65 116.55 112.97 1s6l n ASP 66 Ca 0.09 -1.41 -0.04 0.00 -1.51 0.00 0.00 54.79 51.91 1s6l n ASP 66 Cb 0.61 -0.15 0.18 0.00 2.34 0.00 0.00 41.12 44.10 1s6l n ASP 66 CO 0.00 0.00 0.00 0.07 0.12 0.00 0.00 177.20 177.39 1s6l h LYS 67 N 0.00 0.46 -0.07 -0.67 -0.00 -1.97 -2.50 116.57 111.82 1s6l h LYS 67 Ca -0.09 -0.19 0.00 0.00 -0.00 0.00 0.00 60.65 60.37 1s6l h LYS 67 Cb 0.37 -0.02 0.00 0.00 -0.00 0.00 0.00 32.23 32.58 1s6l h LYS 67 CO 0.11 0.72 0.00 -3.47 -0.00 0.00 0.00 179.45 176.82 1s6l n ASP 68 N -4.08 1.47 0.00 7.07 -0.08 -1.26 -4.91 116.55 114.76 1s6l n ASP 68 Ca -0.01 -1.56 0.00 0.00 -1.51 0.00 0.00 54.79 51.72 1s6l n ASP 68 Cb 0.45 -0.04 0.00 0.00 2.34 0.00 0.00 41.12 43.87 1s6l n ASP 68 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1s6l n GLY 69 N 1.14 0.70 3.83 0.27 0.00 -0.94 -5.06 105.19 105.13 1s6l n GLY 69 Ca 0.18 -0.27 -0.34 0.00 0.00 0.00 0.00 46.02 45.59 1s6l n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s6l s ASN 70 N -2.24 6.90 0.30 1.61 4.22 -1.26 -4.65 114.94 119.81 1s6l s ASN 70 Ca 0.00 1.28 -0.27 0.00 -2.14 0.00 0.00 52.86 51.73 1s6l s ASN 70 Cb 0.00 -2.37 -0.10 0.00 1.28 0.00 0.00 41.25 40.06 1s6l s ASN 70 CO 0.00 -0.04 0.95 -0.63 -2.04 0.00 0.00 177.10 175.33 1s6l s ILE 71 N -1.69 4.15 0.00 0.54 1.09 -1.18 0.57 121.20 124.67 1s6l s ILE 71 Ca 0.46 1.87 0.00 0.00 -1.10 0.00 0.00 60.65 61.88 1s6l s ILE 71 Cb -0.14 -4.08 0.00 0.00 -1.06 0.00 0.00 42.46 37.18 1s6l s ILE 71 CO 0.19 0.23 0.00 0.00 -0.10 0.00 0.00 174.94 175.26 1s6l n ILE 72 N 0.78 0.00 0.00 2.92 0.00 -1.14 -4.30 119.36 117.61 1s6l n ILE 72 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 62.75 62.76 1s6l n ILE 72 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 39.64 40.13 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 -1.28 0.29 0.92 4.50 0.00 -1.24 -2.70 105.19 105.68 1s6l n GLY 73 Ca 0.00 0.54 0.00 0.00 0.00 0.00 0.00 46.02 46.56 1s6l n GLY 73 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1s6l n TYR 74 N 0.00 0.00 -2.47 1.61 4.01 -1.26 -4.75 117.16 114.30 1s6l n TYR 74 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1s6l n TYR 74 Cb 0.00 0.17 0.00 0.00 -0.31 0.00 0.00 39.34 39.20 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 2.19 3.87 0.05 2.72 0.00 -1.10 -4.94 105.19 107.99 1s6l n GLY 75 Ca 0.00 -1.05 -0.06 0.00 0.00 0.00 0.00 46.02 44.91 1s6l n GLY 75 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1s6l n LEU 76 N 0.00 1.01 -4.69 0.99 4.77 -1.26 -4.92 117.00 112.89 1s6l n LEU 76 Ca 0.00 -0.02 -0.23 0.00 -0.03 0.00 0.00 56.01 55.73 1s6l n LEU 76 Cb 0.00 0.01 -0.07 0.00 -2.33 0.00 0.00 43.42 41.04 1s6l n LEU 76 CO 0.00 0.39 -0.29 0.42 -1.33 0.00 0.00 177.39 176.59 1s6l s THR 77 N -2.23 3.73 -0.46 -5.08 -4.23 -1.26 -5.01 115.64 101.09 1s6l s THR 77 Ca -0.09 -1.74 0.03 0.00 -1.18 0.00 0.00 61.69 58.71 1s6l s THR 77 Cb 0.03 -2.99 0.21 0.00 1.34 0.00 0.00 72.50 71.10 1s6l s THR 77 CO 0.35 -0.35 1.06 0.18 -0.54 0.00 0.00 174.62 175.32 1s6l n LEU 78 N -0.90 3.21 -2.85 4.79 4.77 -1.26 -4.94 117.00 119.83 1s6l n LEU 78 Ca -0.07 -1.65 -0.02 0.00 -0.03 0.00 0.00 56.01 54.24 1s6l n LEU 78 Cb 0.58 -0.58 -0.02 0.00 -2.33 0.00 0.00 43.42 41.08 1s6l n LEU 78 CO 0.41 0.51 -0.44 0.54 -1.33 0.00 0.00 177.39 177.08 1s6l n ARG 79 N 0.10 -2.83 0.00 3.23 1.74 -1.26 -5.01 116.66 112.64 1s6l n ARG 79 Ca 0.13 2.32 0.00 0.00 -0.77 0.00 0.00 57.85 59.53 1s6l n ARG 79 Cb 0.68 -3.40 0.00 0.00 -1.02 0.00 0.00 32.46 28.72 1s6l n ARG 79 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 1s6l n GLU 80 N 1.63 0.00 -0.93 5.56 2.13 -1.26 -5.14 120.64 122.63 1s6l n GLU 80 Ca -0.15 0.00 -0.36 0.00 0.66 0.00 0.00 57.16 57.31 1s6l n GLU 80 Cb 0.32 0.00 0.07 0.00 0.27 0.00 0.00 31.44 32.10 1s6l n GLU 80 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 1s6l n THR 81 N -0.52 0.00 1.37 6.31 -2.24 -1.26 -4.85 114.28 113.08 1s6l n THR 81 Ca 0.00 -0.29 0.14 0.00 -2.27 0.00 0.00 64.05 61.63 1s6l n THR 81 Cb 0.00 -0.17 0.67 0.00 -2.10 0.00 0.00 70.33 68.73 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 2.14 0.20 -4.55 3.42 7.64 -1.26 -4.75 113.62 116.45 1s6l n SER 82 Ca -0.00 -0.26 -0.32 0.00 1.01 0.00 0.00 58.87 59.29 1s6l n SER 82 Cb 0.62 -0.20 -0.04 0.00 -1.01 0.00 0.00 64.21 63.58 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 -2.59 1.48 0.01 1.43 2.02 -1.26 -4.44 117.35 113.99 1s6l s TYR 83 Ca 0.27 1.10 0.03 0.00 -0.37 0.00 0.00 57.07 58.09 1s6l s TYR 83 Cb 0.20 -3.87 -0.03 0.00 -0.40 0.00 0.00 41.96 37.85 1s6l s TYR 83 CO 0.48 -2.16 -0.04 0.08 -1.57 0.00 0.00 175.55 172.34 1s6l s VAL 84 N 10.77 3.85 -0.23 0.71 1.01 -0.57 -0.60 120.40 135.34 1s6l s VAL 84 Ca 0.78 -0.72 -0.01 0.00 0.00 0.00 0.00 61.98 62.03 1s6l s VAL 84 Cb -0.13 -2.70 0.07 0.00 0.00 0.00 0.00 36.38 33.62 1s6l s VAL 84 CO 0.16 0.37 0.02 0.12 0.00 0.00 0.00 175.10 175.78 1s6l s PHE 85 N -1.05 1.62 -0.17 5.22 2.19 0.12 -0.41 117.98 125.51 1s6l s PHE 85 Ca 0.18 -1.35 -0.07 0.00 0.33 0.00 0.00 56.93 56.02 1s6l s PHE 85 Cb -0.11 -1.37 -0.04 0.00 -1.31 0.00 0.00 43.02 40.18 1s6l s PHE 85 CO 0.09 -0.72 0.08 -1.21 1.83 0.00 0.00 175.22 175.29 1s6l s GLU 86 N 1.65 3.84 -0.04 10.12 8.01 0.33 0.11 118.70 142.73 1s6l s GLU 86 Ca 0.00 -0.29 -0.01 0.00 0.01 0.00 0.00 54.97 54.68 1s6l s GLU 86 Cb -0.18 -3.21 0.03 0.00 -4.31 0.00 0.00 34.13 26.46 1s6l s GLU 86 CO -0.11 0.40 0.03 0.96 0.01 0.00 0.00 175.26 176.55 1s6l s ILE 87 N 0.03 0.04 0.00 -1.63 -4.36 -0.80 0.14 121.20 114.62 1s6l s ILE 87 Ca 0.07 0.28 0.00 0.00 -0.26 0.00 0.00 60.65 60.74 1s6l s ILE 87 Cb -0.12 -0.24 0.00 0.00 1.25 0.00 0.00 42.46 43.35 1s6l s ILE 87 CO 0.00 0.18 0.00 0.47 0.24 0.00 0.00 174.94 175.83 1s6l n ASP 88 N 4.92 0.00 -1.45 4.36 9.92 -1.26 -0.96 116.55 132.09 1s6l n ASP 88 Ca -0.11 0.00 -0.03 0.00 -0.53 0.00 0.00 54.79 54.12 1s6l n ASP 88 Cb 0.50 0.00 0.02 0.00 -0.64 0.00 0.00 41.12 41.00 1s6l n ASP 88 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 1s6l n ASP 89 N 0.42 -0.70 -3.73 -2.24 8.00 -1.26 -5.11 116.55 111.94 1s6l n ASP 89 Ca 0.00 -1.41 -0.26 0.00 0.71 0.00 0.00 54.79 53.83 1s6l n ASP 89 Cb 0.00 0.28 -0.17 0.00 -0.02 0.00 0.00 41.12 41.21 1s6l n ASP 89 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1s6l s ARG 90 N 0.04 0.56 -0.14 -1.24 1.81 -0.13 -5.12 118.95 114.73 1s6l s ARG 90 Ca 0.02 -0.24 -0.27 0.00 -1.72 0.00 0.00 55.73 53.52 1s6l s ARG 90 Cb 0.12 -1.79 -0.01 0.00 -0.45 0.00 0.00 34.95 32.82 1s6l s ARG 90 CO -0.04 -0.56 0.92 1.03 -0.68 0.00 0.00 175.30 175.97 1s6l s ARG 91 N 1.93 4.36 0.34 3.54 3.00 -1.26 -1.91 118.95 128.96 1s6l s ARG 91 Ca 0.01 1.21 0.09 0.00 0.00 0.00 0.00 55.73 57.04 1s6l s ARG 91 Cb -0.16 -3.56 -0.05 0.00 0.00 0.00 0.00 34.95 31.18 1s6l s ARG 91 CO -0.07 -0.32 0.03 -0.51 0.00 0.00 0.00 175.30 174.43 1s6l s LEU 92 N 2.07 3.01 0.24 2.53 2.01 0.30 -4.94 118.68 123.91 1s6l s LEU 92 Ca 0.43 -0.98 0.04 0.00 0.01 0.00 0.00 54.13 53.64 1s6l s LEU 92 Cb -0.17 -1.39 -0.05 0.00 0.01 0.00 0.00 46.19 44.59 1s6l s LEU 92 CO 0.15 -0.26 -0.02 -0.31 1.01 0.00 0.00 176.35 176.92 1s6l s TYR 93 N -2.51 1.65 0.27 0.29 1.51 -1.26 0.13 117.35 117.42 1s6l s TYR 93 Ca 0.35 -0.86 -0.14 0.00 -1.01 0.00 0.00 57.07 55.41 1s6l s TYR 93 Cb -0.00 -0.95 0.00 0.00 -0.11 0.00 0.00 41.96 40.90 1s6l s TYR 93 CO 0.20 0.05 0.54 0.00 -1.11 0.00 0.00 175.55 175.22 1s6l s ALA 94 N -3.31 -0.38 -0.31 3.71 0.00 0.23 -4.44 121.76 117.26 1s6l s ALA 94 Ca 0.28 -0.81 0.22 0.00 0.00 0.00 0.00 51.96 51.66 1s6l s ALA 94 Cb 0.05 1.02 -0.12 0.00 0.00 0.00 0.00 23.12 24.07 1s6l s ALA 94 CO 0.09 -0.89 0.83 0.91 0.00 0.00 0.00 175.76 176.70 1s6l n TRP 95 N -0.42 0.37 -3.88 0.00 8.01 -1.26 -4.40 117.44 115.87 1s6l n TRP 95 Ca -0.02 0.11 -0.09 0.00 -1.31 0.00 0.00 57.50 56.18 1s6l n TRP 95 Cb 0.61 -0.60 -0.05 0.00 -2.01 0.00 0.00 31.31 29.26 1s6l n TRP 95 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 1s6l h ALA 97 N 2.30 1.43 0.00 0.00 0.00 -1.44 -2.49 119.26 119.05 1s6l h ALA 97 Ca -0.28 -0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.49 1s6l h ALA 97 Cb 1.25 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.02 1s6l h ALA 97 CO 0.39 -0.34 -0.79 1.25 0.00 0.00 0.00 179.25 179.76 1s6l h LEU 98 N 0.00 0.00 -1.67 0.00 6.46 -1.89 -3.36 115.31 114.84 1s6l h LEU 98 Ca 0.03 -0.54 0.09 0.00 -0.12 0.00 0.00 57.88 57.34 1s6l h LEU 98 Cb 0.64 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.55 1s6l h LEU 98 CO -0.00 1.23 0.57 -0.78 -0.62 0.00 0.00 178.44 178.83 1s6l h ASP 99 N -1.00 0.00 -0.26 1.25 3.58 -1.79 0.13 116.42 118.32 1s6l h ASP 99 Ca -0.20 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.25 1s6l h ASP 99 Cb 1.06 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.10 1s6l h ASP 99 CO -0.12 0.00 0.17 0.71 -2.88 0.00 0.00 179.24 177.12 1s6l h THR 100 N 0.00 1.07 -4.26 2.25 1.35 -1.68 -3.45 112.91 108.19 1s6l h THR 100 Ca 0.15 -0.14 -0.14 0.00 -0.55 0.00 0.00 66.41 65.73 1s6l h THR 100 Cb 1.28 0.68 -0.15 0.00 -1.73 0.00 0.00 68.15 68.24 1s6l h THR 100 CO -0.00 0.07 -0.63 -0.22 -0.25 0.00 0.00 175.52 174.49 1s6l s LEU 101 N -9.34 2.08 0.00 3.87 2.96 0.44 -4.69 118.68 113.99 1s6l s LEU 101 Ca -0.07 -1.05 0.00 0.00 -0.22 0.00 0.00 54.13 52.79 1s6l s LEU 101 Cb 0.17 0.34 0.00 0.00 0.50 0.00 0.00 46.19 47.20 1s6l s LEU 101 CO 0.71 -0.67 0.00 2.30 -1.32 0.00 0.00 176.35 177.37 1s6l n ILE 102 N 0.01 0.00 -3.15 6.68 -6.64 -1.26 -4.86 119.36 110.13 1s6l n ILE 102 Ca -0.11 0.00 0.04 0.00 -1.77 0.00 0.00 62.75 60.92 1s6l n ILE 102 Cb 0.62 -0.38 -0.00 0.00 -1.44 0.00 0.00 39.64 38.43 1s6l n ILE 102 CO 0.00 0.00 0.00 0.12 -1.77 0.00 0.00 176.55 174.90 1s6l s PHE 103 N -1.74 -1.50 0.20 4.28 2.19 -1.26 -5.04 117.98 115.11 1s6l s PHE 103 Ca 0.00 1.09 0.05 0.00 0.33 0.00 0.00 56.93 58.40 1s6l s PHE 103 Cb 0.00 0.34 0.10 0.00 -1.31 0.00 0.00 43.02 42.15 1s6l s PHE 103 CO 0.00 -0.86 1.45 -1.00 1.83 0.00 0.00 175.22 176.65 1s6l h PRO 104 N 7.89 0.13 0.00 10.12 0.13 -1.92 -2.62 132.00 145.73 1s6l h PRO 104 Ca -0.09 -0.13 -0.08 0.00 -0.87 0.00 0.00 66.00 64.84 1s6l h PRO 104 Cb 1.18 0.03 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 1s6l h PRO 104 CO 0.12 0.84 -0.37 0.00 -0.23 0.00 0.00 178.00 178.37 1s6l h ALA 105 N 1.11 0.78 0.21 -0.56 0.00 -1.77 -3.27 119.26 115.76 1s6l h ALA 105 Ca -0.02 -0.33 -0.32 0.00 0.00 0.00 0.00 54.91 54.23 1s6l h ALA 105 Cb 1.37 -0.06 0.02 0.00 0.00 0.00 0.00 17.79 19.12 1s6l h ALA 105 CO 0.11 0.46 -1.50 1.25 0.00 0.00 0.00 179.25 179.57 1s6l h LEU 106 N 0.00 0.69 -0.43 0.00 7.12 -1.91 -3.35 115.31 117.43 1s6l h LEU 106 Ca -0.00 -0.93 0.05 0.00 0.13 0.00 0.00 57.88 57.13 1s6l h LEU 106 Cb 1.24 -0.22 -0.05 0.00 -0.53 0.00 0.00 40.66 41.09 1s6l h LEU 106 CO 0.05 1.70 0.15 -0.29 -0.13 0.00 0.00 178.44 179.91 1s6l h ILE 107 N 0.03 0.86 0.00 4.05 6.09 -1.55 -3.47 117.51 123.52 1s6l h ILE 107 Ca -0.28 -0.11 0.00 0.00 -1.37 0.00 0.00 64.86 63.10 1s6l h ILE 107 Cb 2.05 0.52 0.00 0.00 0.47 0.00 0.00 36.82 39.86 1s6l h ILE 107 CO 0.21 0.06 0.00 0.61 -3.07 0.00 0.00 178.15 175.96 1s6l n GLY 108 N -1.24 1.03 3.60 8.18 0.00 -1.23 -5.08 105.19 110.44 1s6l n GLY 108 Ca 0.03 -0.16 -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 -1.60 0.00 0.00 0.00 173.32 171.72 1s6l s ARG 109 N -0.46 1.81 0.47 1.61 6.06 -1.26 -5.04 118.95 122.15 1s6l s ARG 109 Ca 0.00 -1.46 -0.19 0.00 -2.50 0.00 0.00 55.73 51.58 1s6l s ARG 109 Cb 0.00 0.49 -0.09 0.00 0.06 0.00 0.00 34.95 35.41 1s6l s ARG 109 CO 0.00 -0.78 0.97 0.99 -2.50 0.00 0.00 175.30 173.99 1s6l s THR 110 N -3.35 4.38 -0.18 4.11 2.01 -1.26 -4.19 115.64 117.15 1s6l s THR 110 Ca 0.24 1.34 -0.04 0.00 0.31 0.00 0.00 61.69 63.54 1s6l s THR 110 Cb -0.02 -3.63 0.06 0.00 0.01 0.00 0.00 72.50 68.93 1s6l s THR 110 CO 0.14 -0.45 0.06 0.00 -0.69 0.00 0.00 174.62 173.67 1s6l s ALA 111 N -2.34 0.74 -0.20 7.40 0.00 0.29 -4.14 121.76 123.51 1s6l s ALA 111 Ca 0.61 -0.52 -0.27 0.00 0.00 0.00 0.00 51.96 51.78 1s6l s ALA 111 Cb -0.10 -1.12 -0.00 0.00 0.00 0.00 0.00 23.12 21.90 1s6l s ALA 111 CO 0.21 -1.18 0.94 1.03 0.00 0.00 0.00 175.76 176.76 1s6l s ARG 112 N 1.98 4.27 -0.13 0.00 0.52 0.36 0.14 118.95 126.11 1s6l s ARG 112 Ca 0.00 1.18 -0.00 0.00 -0.52 0.00 0.00 55.73 56.40 1s6l s ARG 112 Cb -0.17 -3.61 -0.02 0.00 0.52 0.00 0.00 34.95 31.68 1s6l s ARG 112 CO -0.09 -0.49 -0.12 0.08 0.02 0.00 0.00 175.30 174.70 1s6l s VAL 113 N 2.70 3.13 -0.04 3.52 1.01 0.28 0.12 120.40 131.13 1s6l s VAL 113 Ca 0.41 -0.64 0.07 0.00 0.00 0.00 0.00 61.98 61.82 1s6l s VAL 113 Cb -0.16 -2.31 -0.01 0.00 0.00 0.00 0.00 36.38 33.89 1s6l s VAL 113 CO 0.10 0.53 -0.24 -0.44 0.00 0.00 0.00 175.10 175.04 1s6l s SER 114 N 0.26 2.88 0.25 3.32 0.01 0.45 0.12 113.70 120.99 1s6l s SER 114 Ca -0.09 -0.46 0.01 0.00 1.31 0.00 0.00 55.95 56.72 1s6l s SER 114 Cb -0.15 -0.57 -0.03 0.00 0.21 0.00 0.00 66.02 65.47 1s6l s SER 114 CO 0.05 0.26 0.21 -0.55 0.41 0.00 0.00 173.24 173.62 1s6l s SER 115 N -0.33 0.60 -0.05 2.44 0.15 0.43 -1.51 113.70 115.44 1s6l s SER 115 Ca 0.02 -1.47 0.02 0.00 0.70 0.00 0.00 55.95 55.22 1s6l s SER 115 Cb -0.11 0.45 0.01 0.00 -1.71 0.00 0.00 66.02 64.66 1s6l s SER 115 CO 0.01 -0.94 -0.09 -2.28 1.20 0.00 0.00 173.24 171.14 1s6l s HIS 116 N -3.90 1.14 0.04 3.44 2.46 -1.26 0.11 115.29 117.32 1s6l s HIS 116 Ca 0.38 -0.38 -0.33 0.00 0.47 0.00 0.00 55.06 55.20 1s6l s HIS 116 Cb 0.05 -0.87 -0.12 0.00 -0.13 0.00 0.00 32.58 31.51 1s6l s HIS 116 CO 0.17 -0.22 1.80 0.00 -2.47 0.00 0.00 174.74 174.02 1s6l n ALA 118 N 5.62 1.54 0.00 0.00 0.00 -0.60 -1.01 120.51 126.07 1s6l n ALA 118 Ca 0.20 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.60 1s6l n ALA 118 Cb 0.32 -1.18 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 -1.47 3.00 0.22 0.00 0.00 -1.26 -4.77 120.51 116.23 1s6l n ALA 119 Ca 0.03 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.59 1s6l n ALA 119 Cb 0.13 0.43 0.29 0.00 0.00 0.00 0.00 19.45 20.30 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 0.17 -3.68 0.00 2.02 -1.94 -3.47 112.91 106.02 1s6l h THR 120 Ca 0.00 -1.07 -0.37 0.00 0.77 0.00 0.00 66.41 65.73 1s6l h THR 120 Cb 0.84 1.93 0.03 0.00 -1.74 0.00 0.00 68.15 69.21 1s6l h THR 120 CO 0.00 0.09 -0.53 0.61 0.37 0.00 0.00 175.52 176.05 1s6l n GLY 121 N 0.80 -0.42 3.97 2.16 0.00 -0.18 -4.94 105.19 106.58 1s6l n GLY 121 Ca 0.03 0.01 -0.18 0.00 0.00 0.00 0.00 46.02 45.87 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 -3.07 4.34 -0.47 4.61 0.00 -1.26 -4.79 121.76 121.13 1s6l s ALA 122 Ca 0.19 -1.70 -0.20 0.00 0.00 0.00 0.00 51.96 50.26 1s6l s ALA 122 Cb -0.08 -1.46 0.04 0.00 0.00 0.00 0.00 23.12 21.61 1s6l s ALA 122 CO 0.24 -0.22 0.63 -1.25 0.00 0.00 0.00 175.76 175.15 1s6l s PRO 123 N -4.25 3.20 0.01 0.00 0.04 -1.26 -1.22 135.00 131.52 1s6l s PRO 123 Ca 0.51 -0.59 0.01 0.00 0.04 0.00 0.00 61.00 60.97 1s6l s PRO 123 Cb -0.08 -4.01 -0.04 0.00 0.04 0.00 0.00 34.50 30.41 1s6l s PRO 123 CO 0.31 -1.09 0.06 0.14 0.04 0.00 0.00 177.00 176.46 1s6l s VAL 124 N 2.73 4.55 -0.09 -0.36 -7.23 0.30 -4.68 120.40 115.62 1s6l s VAL 124 Ca 0.19 -0.53 -0.12 0.00 -1.81 0.00 0.00 61.98 59.71 1s6l s VAL 124 Cb -0.16 -3.09 0.03 0.00 0.56 0.00 0.00 36.38 33.71 1s6l s VAL 124 CO 0.16 0.31 0.32 -0.94 -0.31 0.00 0.00 175.10 174.63 1s6l s SER 125 N -1.84 -0.29 0.03 4.85 1.04 0.42 0.16 113.70 118.08 1s6l s SER 125 Ca 0.23 0.50 0.00 0.00 0.48 0.00 0.00 55.95 57.17 1s6l s SER 125 Cb -0.12 0.57 -0.02 0.00 0.10 0.00 0.00 66.02 66.55 1s6l s SER 125 CO 0.15 -0.19 -0.04 -0.76 0.98 0.00 0.00 173.24 173.37 1s6l s LEU 126 N -0.21 2.29 -0.31 2.42 1.02 0.34 -1.35 118.68 122.89 1s6l s LEU 126 Ca -0.03 -0.60 -0.07 0.00 0.02 0.00 0.00 54.13 53.44 1s6l s LEU 126 Cb -0.03 0.06 0.01 0.00 0.02 0.00 0.00 46.19 46.25 1s6l s LEU 126 CO 0.01 -0.33 0.10 -0.89 0.02 0.00 0.00 176.35 175.26 1s6l s THR 127 N -1.89 4.08 -0.39 5.49 2.01 -0.70 0.10 115.64 124.33 1s6l s THR 127 Ca -0.10 -0.72 -0.17 0.00 0.31 0.00 0.00 61.69 61.01 1s6l s THR 127 Cb -0.07 -3.13 0.01 0.00 0.01 0.00 0.00 72.50 69.32 1s6l s THR 127 CO -0.02 0.03 0.42 -0.69 -0.69 0.00 0.00 174.62 173.67 1s6l s VAL 128 N 1.51 5.10 0.45 3.82 1.01 0.38 -2.32 120.40 130.35 1s6l s VAL 128 Ca 0.02 -0.19 0.07 0.00 0.00 0.00 0.00 61.98 61.89 1s6l s VAL 128 Cb -0.18 -3.98 -0.00 0.00 0.00 0.00 0.00 36.38 32.23 1s6l s VAL 128 CO 0.03 -0.32 0.42 -0.44 0.00 0.00 0.00 175.10 174.79 1s6l s SER 129 N 1.79 4.99 0.26 3.32 0.01 0.13 0.11 113.70 124.31 1s6l s SER 129 Ca 0.13 -0.84 0.23 0.00 1.31 0.00 0.00 55.95 56.78 1s6l s SER 129 Cb -0.17 -0.33 1.00 0.00 0.21 0.00 0.00 66.02 66.73 1s6l s SER 129 CO 0.13 -0.79 1.70 -2.65 0.41 0.00 0.00 173.24 172.04 1s6l n PRO 130 N -1.65 0.19 -0.01 12.44 -0.02 -1.25 -3.42 135.00 141.28 1s6l n PRO 130 Ca 0.04 0.45 -0.00 0.00 -2.02 0.00 0.00 63.50 61.96 1s6l n PRO 130 Cb 0.62 -1.88 -0.02 0.00 -0.02 0.00 0.00 33.50 32.20 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 -2.24 4.46 0.00 2.55 2.88 -1.26 -4.37 113.62 115.64 1s6l n SER 131 Ca 0.02 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.56 1s6l n SER 131 Cb 0.21 0.75 0.00 0.00 -0.75 0.00 0.00 64.21 64.42 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 -1.90 -0.27 -3.45 -1.46 0.28 -1.22 -5.15 120.64 107.46 1s6l n GLU 132 Ca -0.02 0.00 -0.24 0.00 -0.16 0.00 0.00 57.16 56.73 1s6l n GLU 132 Cb 0.39 0.00 -0.02 0.00 1.43 0.00 0.00 31.44 33.25 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 5.12 0.00 3.84 -4.36 -1.26 0.22 121.20 121.76 1s6l s ILE 133 Ca 0.00 -0.46 0.00 0.00 -0.26 0.00 0.00 60.65 59.93 1s6l s ILE 133 Cb 0.00 -3.84 0.00 0.00 1.25 0.00 0.00 42.46 39.87 1s6l s ILE 133 CO 0.00 -0.50 0.83 1.67 0.24 0.00 0.00 174.94 177.18 1s6l n GLN 134 N -1.61 0.00 -2.81 0.37 7.27 -0.98 -4.91 117.38 114.71 1s6l n GLN 134 Ca -0.05 -0.69 -0.00 0.00 0.07 0.00 0.00 57.00 56.33 1s6l n GLN 134 Cb 0.56 -0.36 0.01 0.00 2.41 0.00 0.00 30.24 32.86 1s6l n GLN 134 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1s6l s ALA 135 N 0.00 -3.92 -0.32 1.69 0.00 -1.26 -4.88 121.76 113.08 1s6l s ALA 135 Ca 0.00 0.78 -0.11 0.00 0.00 0.00 0.00 51.96 52.63 1s6l s ALA 135 Cb 0.00 -2.94 -0.02 0.00 0.00 0.00 0.00 23.12 20.17 1s6l s ALA 135 CO 0.00 -2.44 0.19 0.08 0.00 0.00 0.00 175.76 173.59 1s6l s VAL 136 N 1.59 4.90 -0.12 0.00 1.01 -1.26 -1.73 120.40 124.79 1s6l s VAL 136 Ca 0.19 -0.29 -0.05 0.00 0.00 0.00 0.00 61.98 61.83 1s6l s VAL 136 Cb 0.04 -3.49 0.06 0.00 0.00 0.00 0.00 36.38 33.00 1s6l s VAL 136 CO -0.12 0.06 0.25 -1.61 0.00 0.00 0.00 175.10 173.68 1s6l s GLU 137 N 1.67 0.14 0.63 2.72 2.02 -0.46 -3.45 118.70 121.97 1s6l s GLU 137 Ca 0.05 0.69 -0.15 0.00 0.02 0.00 0.00 54.97 55.59 1s6l s GLU 137 Cb -0.17 -0.08 -0.02 0.00 0.10 0.00 0.00 34.13 33.97 1s6l s GLU 137 CO 0.08 -0.27 1.08 -1.25 0.02 0.00 0.00 175.26 174.92 1s6l s PRO 138 N 2.23 3.07 -1.09 0.39 0.04 -1.26 -0.43 135.00 137.95 1s6l s PRO 138 Ca -0.00 1.25 -0.23 0.00 0.04 0.00 0.00 61.00 62.06 1s6l s PRO 138 Cb -0.12 -1.99 -0.13 0.00 0.04 0.00 0.00 34.50 32.30 1s6l s PRO 138 CO -0.08 -1.02 1.95 0.00 0.04 0.00 0.00 177.00 177.88 1s6l n ALA 139 N -2.30 1.76 0.00 8.56 0.00 -1.22 -2.12 120.51 125.20 1s6l n ALA 139 Ca 0.09 -2.95 0.00 0.00 0.00 0.00 0.00 53.44 50.59 1s6l n ALA 139 Cb 0.53 -3.49 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 5.65 -0.25 3.69 0.00 0.00 -1.26 -5.15 105.19 107.86 1s6l n GLY 140 Ca 0.45 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.15 1s6l n GLY 140 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1s6l s MET 141 N 0.00 1.38 0.10 1.61 0.00 -0.90 -3.89 119.30 117.60 1s6l s MET 141 Ca 0.00 1.65 0.06 0.00 0.00 0.00 0.00 55.69 57.40 1s6l s MET 141 Cb 0.00 -1.76 -0.03 0.00 0.00 0.00 0.00 34.83 33.04 1s6l s MET 141 CO 0.00 -2.39 -0.16 0.00 0.00 0.00 0.00 175.02 172.48 1s6l s ALA 142 N -2.39 1.48 0.11 3.16 0.00 0.37 -3.74 121.76 120.76 1s6l s ALA 142 Ca 0.70 -1.19 0.08 0.00 0.00 0.00 0.00 51.96 51.55 1s6l s ALA 142 Cb -0.26 -0.13 -0.04 0.00 0.00 0.00 0.00 23.12 22.70 1s6l s ALA 142 CO 0.54 0.19 -0.12 0.08 0.00 0.00 0.00 175.76 176.45 1s6l s VAL 143 N -1.61 3.23 0.07 0.00 1.01 0.40 0.26 120.40 123.77 1s6l s VAL 143 Ca 0.05 -1.36 0.10 0.00 0.00 0.00 0.00 61.98 60.76 1s6l s VAL 143 Cb -0.08 -2.51 -0.03 0.00 0.00 0.00 0.00 36.38 33.75 1s6l s VAL 143 CO 0.03 0.09 -0.27 -0.94 0.00 0.00 0.00 175.10 174.01 1s6l s SER 144 N -2.26 3.21 0.23 3.32 1.04 0.23 0.09 113.70 119.57 1s6l s SER 144 Ca 0.21 -0.65 0.10 0.00 0.48 0.00 0.00 55.95 56.10 1s6l s SER 144 Cb -0.11 -0.26 -0.05 0.00 0.10 0.00 0.00 66.02 65.70 1s6l s SER 144 CO 0.13 0.23 -0.19 -0.76 0.98 0.00 0.00 173.24 173.63 1s6l s LEU 145 N -1.52 2.53 0.03 2.42 2.01 -0.15 -2.64 118.68 121.36 1s6l s LEU 145 Ca 0.12 -0.97 0.07 0.00 0.01 0.00 0.00 54.13 53.36 1s6l s LEU 145 Cb -0.10 -0.99 -0.02 0.00 0.01 0.00 0.00 46.19 45.09 1s6l s LEU 145 CO 0.03 0.00 -0.20 0.68 1.01 0.00 0.00 176.35 177.88 1s6l s VAL 146 N -2.36 1.58 -0.20 -1.59 -7.23 -1.26 -3.14 120.40 106.20 1s6l s VAL 146 Ca 0.24 -1.09 -0.18 0.00 -1.81 0.00 0.00 61.98 59.15 1s6l s VAL 146 Cb -0.05 -1.36 -0.14 0.00 0.56 0.00 0.00 36.38 35.39 1s6l s VAL 146 CO 0.11 0.25 0.03 -0.11 -0.31 0.00 0.00 175.10 175.07 1s6l n LEU 147 N 2.05 1.86 0.00 1.32 7.94 -1.26 -4.98 117.00 123.93 1s6l n LEU 147 Ca -0.17 0.46 0.00 0.00 -1.11 0.00 0.00 56.01 55.19 1s6l n LEU 147 Cb 0.53 -0.92 0.00 0.00 0.53 0.00 0.00 43.42 43.57 1s6l n LEU 147 CO 0.23 0.13 0.00 -2.65 -1.11 0.00 0.00 177.39 173.99 1s6l n PRO 148 N -4.45 1.20 -4.47 1.96 -0.02 -1.26 -5.05 135.00 122.90 1s6l n PRO 148 Ca -0.29 0.00 -0.31 0.00 -2.02 0.00 0.00 63.50 60.88 1s6l n PRO 148 Cb 0.61 0.00 -0.05 0.00 -0.02 0.00 0.00 33.50 34.04 1s6l n PRO 148 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1s6l n GLN 149 N 0.00 0.78 -3.17 -0.52 6.02 -1.26 -4.88 117.38 114.35 1s6l n GLN 149 Ca 0.00 -3.57 0.05 0.00 -0.01 0.00 0.00 57.00 53.46 1s6l n GLN 149 Cb 0.00 0.86 -0.02 0.00 1.02 0.00 0.00 30.24 32.11 1s6l n GLN 149 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 1s6l s GLU 150 N -3.86 0.25 -0.37 -1.09 2.02 -1.26 -5.06 118.70 109.33 1s6l s GLU 150 Ca 0.05 0.46 -0.11 0.00 0.02 0.00 0.00 54.97 55.39 1s6l s GLU 150 Cb -0.00 0.26 0.01 0.00 0.10 0.00 0.00 34.13 34.50 1s6l s GLU 150 CO 0.03 -0.26 0.38 0.00 0.02 0.00 0.00 175.26 175.43 1s6l n ALA 151 N 5.42 -3.10 -3.79 5.21 0.00 -1.26 -5.06 120.51 117.93 1s6l n ALA 151 Ca -0.06 0.86 -0.08 0.00 0.00 0.00 0.00 53.44 54.15 1s6l n ALA 151 Cb 0.53 -2.64 0.01 0.00 0.00 0.00 0.00 19.45 17.35 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 -2.15 -0.84 -0.08 0.00 0.00 -1.26 -5.07 121.76 112.36 1s6l s ALA 152 Ca 0.16 -0.64 0.04 0.00 0.00 0.00 0.00 51.96 51.52 1s6l s ALA 152 Cb -0.04 0.74 -0.07 0.00 0.00 0.00 0.00 23.12 23.75 1s6l s ALA 152 CO 0.75 -1.00 -0.02 -0.40 0.00 0.00 0.00 175.76 175.09 1s6l n ASP 153 N -1.13 3.30 -4.74 0.00 5.75 -1.26 -5.04 116.55 113.43 1s6l n ASP 153 Ca -0.07 -0.02 -0.31 0.00 -0.01 0.00 0.00 54.79 54.37 1s6l n ASP 153 Cb 0.60 0.29 0.10 0.00 -1.03 0.00 0.00 41.12 41.08 1s6l n ASP 153 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1s6l s VAL 154 N -2.17 2.95 0.09 2.12 0.11 -1.26 -4.96 120.40 117.27 1s6l s VAL 154 Ca -0.07 0.33 -0.24 0.00 -2.93 0.00 0.00 61.98 59.06 1s6l s VAL 154 Cb 0.03 -2.71 -0.16 0.00 -1.53 0.00 0.00 36.38 32.01 1s6l s VAL 154 CO 0.25 -0.38 1.72 0.03 -3.33 0.00 0.00 175.10 173.39 1s6l h ARG 155 N -1.12 -0.10 -2.18 1.54 -0.00 -2.07 -3.32 114.38 107.13 1s6l h ARG 155 Ca -0.44 0.01 -0.59 0.00 -0.50 0.00 0.00 59.98 58.45 1s6l h ARG 155 Cb 1.25 0.02 -0.42 0.00 0.00 0.00 0.00 29.97 30.82 1s6l h ARG 155 CO 0.49 -0.06 -0.65 0.94 0.00 0.00 0.00 179.97 180.69 1s6l n GLN 156 N -5.13 2.43 -2.07 0.04 7.27 -1.26 -5.02 117.38 113.64 1s6l n GLN 156 Ca -0.08 -4.56 -0.35 0.00 0.07 0.00 0.00 57.00 52.09 1s6l n GLN 156 Cb 0.07 -2.16 0.02 0.00 2.41 0.00 0.00 30.24 30.58 1s6l n GLN 156 CO 0.00 0.00 0.00 0.45 0.07 0.00 0.00 177.06 177.58 1s6l s SER 157 N -2.46 5.45 -0.32 1.69 0.15 -1.25 -4.97 113.70 111.98 1s6l s SER 157 Ca 0.40 2.16 0.02 0.00 0.70 0.00 0.00 55.95 59.23 1s6l s SER 157 Cb 0.17 -2.57 0.16 0.00 -1.71 0.00 0.00 66.02 62.06 1s6l s SER 157 CO -0.03 -1.41 1.19 2.22 1.20 0.00 0.00 173.24 176.42 1s6l n PHE 158 N -1.69 -0.36 -0.11 3.44 -1.74 -1.26 -4.51 117.46 111.24 1s6l n PHE 158 Ca 0.12 -0.70 -0.09 0.00 -0.56 0.00 0.00 57.45 56.21 1s6l n PHE 158 Cb 0.51 1.17 -0.01 0.00 1.52 0.00 0.00 39.48 42.67 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 -1.73 -1.86 -4.70 0.00 8.25 -1.26 -4.78 115.22 109.14 1s6l n HIS 161 Ca 0.00 0.67 -0.33 0.00 -0.26 0.00 0.00 57.72 57.80 1s6l n HIS 161 Cb 0.00 -3.09 -0.15 0.00 1.12 0.00 0.00 29.99 27.87 1s6l n HIS 161 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1s6l s VAL 162 N -3.12 2.75 0.40 1.59 1.01 -1.26 -4.00 120.40 117.76 1s6l s VAL 162 Ca 0.59 -0.76 0.08 0.00 0.00 0.00 0.00 61.98 61.89 1s6l s VAL 162 Cb -0.31 -2.15 -0.06 0.00 0.00 0.00 0.00 36.38 33.86 1s6l s VAL 162 CO 0.72 0.52 0.12 -1.00 0.00 0.00 0.00 175.10 175.47 1s6l s HIS 163 N 0.59 2.58 0.17 5.22 3.76 -1.08 -1.04 115.29 125.50 1s6l s HIS 163 Ca -0.09 -0.58 0.10 0.00 -0.15 0.00 0.00 55.06 54.34 1s6l s HIS 163 Cb -0.16 -1.85 -0.04 0.00 1.11 0.00 0.00 32.58 31.64 1s6l s HIS 163 CO 0.03 0.28 -0.17 -0.06 -0.85 0.00 0.00 174.74 173.97 1s6l s PHE 164 N -2.61 2.47 -0.02 1.40 0.40 -1.26 0.78 117.98 119.14 1s6l s PHE 164 Ca 0.39 -0.29 0.02 0.00 -0.60 0.00 0.00 56.93 56.45 1s6l s PHE 164 Cb 0.04 -1.23 0.00 0.00 0.51 0.00 0.00 43.02 42.34 1s6l s PHE 164 CO 0.21 0.48 -0.08 -0.06 0.70 0.00 0.00 175.22 176.47 1s6l s PHE 165 N -1.58 0.82 0.54 0.36 0.08 0.71 -1.56 117.98 117.35 1s6l s PHE 165 Ca 0.22 -0.18 0.44 0.00 0.12 0.00 0.00 56.93 57.52 1s6l s PHE 165 Cb -0.09 -0.57 1.50 0.00 -0.57 0.00 0.00 43.02 43.29 1s6l s PHE 165 CO 0.12 -0.06 1.43 0.00 -0.10 0.00 0.00 175.22 176.61 1s6l n ALA 166 N 3.16 1.64 -3.91 5.36 0.00 -1.26 0.14 120.51 125.64 1s6l n ALA 166 Ca -0.16 0.56 -0.01 0.00 0.00 0.00 0.00 53.44 53.83 1s6l n ALA 166 Cb 0.55 -0.98 0.01 0.00 0.00 0.00 0.00 19.45 19.03 1s6l n ALA 166 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1s6l s SER 167 N -3.78 -0.00 0.28 0.00 1.04 -1.26 -3.35 113.70 106.63 1s6l s SER 167 Ca -0.04 -0.45 0.05 0.00 0.48 0.00 0.00 55.95 55.98 1s6l s SER 167 Cb 0.23 0.34 0.40 0.00 0.10 0.00 0.00 66.02 67.09 1s6l s SER 167 CO 0.77 -0.67 1.68 0.58 0.98 0.00 0.00 173.24 176.57 1s6l h VAL 168 N 2.00 1.31 -0.17 5.02 2.07 -1.84 0.72 116.25 125.36 1s6l h VAL 168 Ca -0.25 -1.54 -0.21 0.00 0.82 0.00 0.00 66.70 65.51 1s6l h VAL 168 Cb 1.20 1.66 0.01 0.00 -1.52 0.00 0.00 31.29 32.64 1s6l h VAL 168 CO 0.34 0.47 -0.73 -0.65 0.02 0.00 0.00 177.57 177.01 1s6l h PRO 169 N 0.25 0.77 0.03 1.57 0.11 -1.95 0.87 132.00 133.65 1s6l h PRO 169 Ca 0.02 -0.59 -0.27 0.00 0.11 0.00 0.00 66.00 65.27 1s6l h PRO 169 Cb 0.84 0.11 0.02 0.00 0.11 0.00 0.00 31.00 32.08 1s6l h PRO 169 CO 0.07 1.21 -1.08 1.15 -0.21 0.00 0.00 178.00 179.14 1s6l h THR 170 N 0.54 1.29 -0.35 -1.15 2.02 -1.94 4.86 112.91 118.18 1s6l h THR 170 Ca -0.04 -2.32 -0.01 0.00 0.77 0.00 0.00 66.41 64.81 1s6l h THR 170 Cb 1.34 2.45 -0.02 0.00 -1.74 0.00 0.00 68.15 70.19 1s6l h THR 170 CO 0.15 0.71 0.19 0.00 0.37 0.00 0.00 175.52 176.94 1s6l h ALA 171 N 0.42 0.45 0.00 6.16 0.00 0.50 1.15 119.26 127.95 1s6l h ALA 171 Ca -0.14 -0.09 -0.15 0.00 0.00 0.00 0.00 54.91 54.54 1s6l h ALA 171 Cb 1.74 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 19.36 1s6l h ALA 171 CO 0.21 -0.01 -0.72 0.93 0.00 0.00 0.00 179.25 179.66 1s6l h GLU 172 N 0.44 0.00 0.26 0.00 5.08 0.86 0.58 114.58 121.81 1s6l h GLU 172 Ca 0.12 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.47 1s6l h GLU 172 Cb 0.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.33 1s6l h GLU 172 CO -0.02 0.72 -0.13 0.22 -1.00 0.00 0.00 179.01 178.81 1s6l h ASP 173 N 0.00 -0.30 0.28 1.42 3.58 1.04 -0.16 116.42 122.28 1s6l h ASP 173 Ca -0.01 -0.22 -0.04 0.00 0.42 0.00 0.00 57.03 57.18 1s6l h ASP 173 Cb 1.50 0.08 -0.01 0.00 1.72 0.00 0.00 39.33 42.62 1s6l h ASP 173 CO 0.09 0.18 -0.20 -0.25 -2.88 0.00 0.00 179.24 176.18 1s6l h TRP 174 N -0.90 0.00 -0.67 0.28 -0.00 0.12 -1.76 115.95 113.01 1s6l h TRP 174 Ca -0.04 0.00 -0.07 0.00 -0.00 0.00 0.00 58.89 58.78 1s6l h TRP 174 Cb 0.51 0.00 -0.03 0.00 -0.00 0.00 0.00 29.16 29.64 1s6l h TRP 174 CO 0.05 0.20 0.13 0.00 -0.00 0.00 0.00 178.44 178.82 1s6l h ALA 175 N 1.80 0.89 -0.86 2.65 0.00 -0.77 -2.49 119.26 120.48 1s6l h ALA 175 Ca -0.00 -0.26 0.17 0.00 0.00 0.00 0.00 54.91 54.82 1s6l h ALA 175 Cb 0.40 -0.26 -0.11 0.00 0.00 0.00 0.00 17.79 17.83 1s6l h ALA 175 CO 0.03 0.64 0.41 1.03 0.00 0.00 0.00 179.25 181.35 1s6l h SER 176 N 1.02 0.43 -0.63 0.00 0.87 -0.08 0.52 113.55 115.69 1s6l h SER 176 Ca 0.21 0.12 -0.16 0.00 -1.23 0.00 0.00 61.79 60.72 1s6l h SER 176 Cb 0.41 0.06 -0.10 0.00 -0.44 0.00 0.00 62.40 62.34 1s6l h SER 176 CO 0.01 0.13 0.21 1.17 -0.53 0.00 0.00 176.83 177.81 1s6l n LYS 177 N -4.95 3.52 -2.71 2.24 4.81 -1.02 -4.18 118.16 115.87 1s6l n LYS 177 Ca 0.19 -2.66 -0.05 0.00 -0.87 0.00 0.00 58.31 54.92 1s6l n LYS 177 Cb 0.51 -2.11 0.09 0.00 0.02 0.00 0.00 35.03 33.55 1s6l n LYS 177 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 1s6l n HIS 178 N 0.00 -1.04 0.29 5.64 8.25 0.18 -4.90 115.22 123.64 1s6l n HIS 178 Ca 0.34 -2.05 0.04 0.00 -0.26 0.00 0.00 57.72 55.79 1s6l n HIS 178 Cb 1.23 0.91 -0.05 0.00 1.12 0.00 0.00 29.99 33.20 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 -0.80 3.20 0.20 -0.41 6.02 -0.72 -4.55 117.38 120.32 1s6l n GLN 179 Ca -0.04 -0.02 0.18 0.00 -0.01 0.00 0.00 57.00 57.11 1s6l n GLN 179 Cb 0.85 -0.98 0.79 0.00 1.02 0.00 0.00 30.24 31.92 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 1.89 0.00 -6.01 1.08 0.00 -1.89 0.64 103.07 98.78 1s6l h GLY 180 Ca 0.00 0.00 -0.54 0.00 0.00 0.00 0.00 47.33 46.79 1s6l h GLY 180 CO 0.00 0.00 2.50 1.04 0.00 0.00 0.00 176.54 180.08 1s6l n LEU 181 N -3.43 4.66 -2.11 3.11 4.77 -1.26 -4.17 117.00 118.58 1s6l n LEU 181 Ca 0.03 -2.99 -0.20 0.00 -0.03 0.00 0.00 56.01 52.83 1s6l n LEU 181 Cb 0.49 -1.14 -0.04 0.00 -2.33 0.00 0.00 43.42 40.40 1s6l n LEU 181 CO 0.22 0.16 -0.23 1.21 -1.33 0.00 0.00 177.39 177.42 1s6l n GLU 182 N 5.77 -1.65 -2.55 3.23 2.13 -1.24 -3.60 120.64 122.73 1s6l n GLU 182 Ca 0.48 1.03 -0.05 0.00 0.66 0.00 0.00 57.16 59.27 1s6l n GLU 182 Cb 0.29 -5.58 0.01 0.00 0.27 0.00 0.00 31.44 26.42 1s6l n GLU 182 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1s6l n GLY 183 N -0.77 -1.62 3.56 8.31 0.00 0.22 -4.88 105.19 110.02 1s6l n GLY 183 Ca -0.22 0.88 -0.29 0.00 0.00 0.00 0.00 46.02 46.39 1s6l n GLY 183 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1s6l s LEU 184 N -2.13 0.75 0.01 0.99 1.43 -1.23 -4.86 118.68 113.63 1s6l s LEU 184 Ca 0.17 1.03 0.02 0.00 -1.03 0.00 0.00 54.13 54.32 1s6l s LEU 184 Cb -0.05 -2.91 -0.01 0.00 0.03 0.00 0.00 46.19 43.26 1s6l s LEU 184 CO 0.61 -3.99 -0.07 0.00 0.23 0.00 0.00 176.35 173.13 1s6l s ALA 185 N -2.78 0.56 0.26 4.21 0.00 -1.19 -4.99 121.76 117.83 1s6l s ALA 185 Ca 0.68 -0.41 0.06 0.00 0.00 0.00 0.00 51.96 52.29 1s6l s ALA 185 Cb -0.17 -0.09 -0.03 0.00 0.00 0.00 0.00 23.12 22.83 1s6l s ALA 185 CO 0.59 0.10 0.33 0.42 0.00 0.00 0.00 175.76 177.20 1s6l s ILE 186 N -0.47 4.84 0.10 0.00 -1.09 -1.26 -0.97 121.20 122.35 1s6l s ILE 186 Ca -0.01 -1.11 -0.23 0.00 -2.23 0.00 0.00 60.65 57.07 1s6l s ILE 186 Cb -0.04 -3.67 0.06 0.00 -1.58 0.00 0.00 42.46 37.23 1s6l s ILE 186 CO 0.00 -0.31 0.58 0.68 -1.23 0.00 0.00 174.94 174.66 1s6l s VAL 187 N -2.06 0.01 -0.10 2.92 -7.23 0.11 -4.95 120.40 109.11 1s6l s VAL 187 Ca 0.35 -0.10 -0.24 0.00 -1.81 0.00 0.00 61.98 60.18 1s6l s VAL 187 Cb -0.09 -1.01 -0.03 0.00 0.56 0.00 0.00 36.38 35.81 1s6l s VAL 187 CO 0.28 -0.06 0.74 -0.44 -0.31 0.00 0.00 175.10 175.31 1s6l s SER 188 N -2.37 6.97 0.65 4.85 0.01 -1.26 0.15 113.70 122.71 1s6l s SER 188 Ca -0.02 1.18 0.17 0.00 1.31 0.00 0.00 55.95 58.59 1s6l s SER 188 Cb -0.00 -2.42 0.86 0.00 0.21 0.00 0.00 66.02 64.66 1s6l s SER 188 CO -0.07 -0.20 1.47 -0.37 0.41 0.00 0.00 173.24 174.48 1s6l h VAL 189 N 4.90 0.03 -0.10 3.43 -1.51 -1.89 1.18 116.25 122.29 1s6l h VAL 189 Ca -0.38 0.00 -0.15 0.00 -1.23 0.00 0.00 66.70 64.94 1s6l h VAL 189 Cb 1.18 0.32 0.01 0.00 -2.13 0.00 0.00 31.29 30.67 1s6l h VAL 189 CO 0.77 0.00 -0.54 -0.74 -1.23 0.00 0.00 177.57 175.83 1s6l h HIS 190 N 0.00 0.73 0.00 5.19 6.17 -1.91 -2.84 115.15 122.49 1s6l h HIS 190 Ca 0.06 -0.33 -0.02 0.00 0.71 0.00 0.00 60.37 60.79 1s6l h HIS 190 Cb 1.47 -0.11 -0.00 0.00 2.52 0.00 0.00 27.41 31.29 1s6l h HIS 190 CO 0.00 1.11 -0.32 0.93 0.71 0.00 0.00 177.93 180.37 1s6l h GLU 191 N 0.13 0.00 0.00 5.26 5.08 0.78 -3.23 114.58 122.61 1s6l h GLU 191 Ca -0.04 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.25 1s6l h GLU 191 Cb 1.19 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.43 1s6l h GLU 191 CO 0.11 0.08 -0.33 0.00 -1.00 0.00 0.00 179.01 177.87 1s6l h ALA 192 N 1.91 1.00 0.02 3.43 0.00 -0.25 0.24 119.26 125.61 1s6l h ALA 192 Ca -0.01 -0.30 -0.24 0.00 0.00 0.00 0.00 54.91 54.37 1s6l h ALA 192 Cb 1.07 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.78 1s6l h ALA 192 CO 0.01 0.41 -1.17 0.74 0.00 0.00 0.00 179.25 179.24 1s6l h PHE 193 N 0.00 0.09 0.08 0.00 -1.00 -1.52 -1.20 116.94 113.39 1s6l h PHE 193 Ca -0.00 -0.06 -0.27 0.00 2.81 0.00 0.00 57.97 60.44 1s6l h PHE 193 Cb 0.86 -0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.40 1s6l h PHE 193 CO 0.00 1.06 -1.36 0.78 -1.61 0.00 0.00 178.31 177.18 1s6l h GLY 194 N 2.82 0.19 2.00 -1.45 0.00 -1.54 0.22 103.07 105.30 1s6l h GLY 194 Ca -0.08 -0.47 -0.17 0.00 0.00 0.00 0.00 47.33 46.61 1s6l h GLY 194 CO 0.13 0.42 -0.80 -2.00 0.00 0.00 0.00 176.54 174.29 1s6l h LEU 195 N 0.04 0.00 0.00 3.11 6.46 -0.61 0.14 115.31 124.46 1s6l h LEU 195 Ca -0.17 0.00 -0.17 0.00 -0.12 0.00 0.00 57.88 57.42 1s6l h LEU 195 Cb 1.95 0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 41.85 1s6l h LEU 195 CO 0.15 0.80 -1.05 1.23 -0.62 0.00 0.00 178.44 178.96 1s6l h GLY 196 N 2.53 0.00 1.73 3.75 0.00 -1.25 -3.22 103.07 106.61 1s6l h GLY 196 Ca -0.01 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.26 1s6l h GLY 196 CO 0.10 0.00 -0.52 -1.61 0.00 0.00 0.00 176.54 174.52 1s6l h GLN 197 N 0.00 0.00 0.00 4.80 -0.00 -0.41 -3.27 115.11 116.23 1s6l h GLN 197 Ca -0.09 0.00 -0.06 0.00 -0.00 0.00 0.00 58.65 58.50 1s6l h GLN 197 Cb 1.61 0.00 -0.01 0.00 0.00 0.00 0.00 27.48 29.08 1s6l h GLN 197 CO 0.07 0.23 -0.29 0.93 0.00 0.00 0.00 178.83 179.78 1s6l h GLU 198 N 0.00 0.00 -0.55 1.69 4.39 -0.77 -3.26 114.58 116.08 1s6l h GLU 198 Ca -0.02 0.00 0.16 0.00 0.34 0.00 0.00 59.36 59.84 1s6l h GLU 198 Cb 1.22 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.85 1s6l h GLU 198 CO 0.03 0.29 0.52 0.74 -1.16 0.00 0.00 179.01 179.43 1s6l h PHE 199 N 0.00 0.00 0.00 4.33 0.04 -1.60 0.85 116.94 120.56 1s6l h PHE 199 Ca -0.00 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.75 1s6l h PHE 199 Cb 1.19 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.34 1s6l h PHE 199 CO 0.00 0.00 -0.11 -0.91 -0.60 0.00 0.00 178.31 176.69 1s6l h ASN 200 N 0.00 0.00 -0.32 2.17 4.21 -1.79 -3.24 115.58 116.61 1s6l h ASN 200 Ca 0.26 -0.54 -0.05 0.00 1.21 0.00 0.00 56.30 57.19 1s6l h ASN 200 Cb 1.31 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 38.50 1s6l h ASN 200 CO -0.00 0.83 0.01 -0.09 -1.29 0.00 0.00 177.43 176.88 1s6l h ARG 201 N -1.00 0.56 -0.59 0.81 9.65 -1.50 -2.80 114.38 119.50 1s6l h ARG 201 Ca -0.02 -0.17 0.17 0.00 -1.10 0.00 0.00 59.98 58.85 1s6l h ARG 201 Cb 0.62 -0.05 -0.02 0.00 -1.39 0.00 0.00 29.97 29.12 1s6l h ARG 201 CO -0.01 0.69 0.42 1.25 2.80 0.00 0.00 179.97 185.12 1s6l h HIS 202 N 0.36 0.01 -0.00 2.20 2.76 0.52 0.14 115.15 121.14 1s6l h HIS 202 Ca 0.09 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.26 1s6l h HIS 202 Cb 0.43 -0.00 -0.00 0.00 1.55 0.00 0.00 27.41 29.39 1s6l h HIS 202 CO 0.03 0.00 0.00 -0.07 -1.30 0.00 0.00 177.93 176.60 1s6l h LEU 203 N 0.01 0.00 -0.91 0.26 -0.00 -1.52 -1.11 115.31 112.04 1s6l h LEU 203 Ca 0.28 0.00 -0.11 0.00 -0.00 0.00 0.00 57.88 58.05 1s6l h LEU 203 Cb 1.11 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.76 1s6l h LEU 203 CO -0.01 0.00 -0.46 0.25 -0.00 0.00 0.00 178.44 178.23 1s6l h LEU 204 N 0.00 0.20 -0.48 1.67 5.85 -0.83 -3.49 115.31 118.23 1s6l h LEU 204 Ca 0.00 -0.09 0.34 0.00 0.84 0.00 0.00 57.88 58.97 1s6l h LEU 204 Cb 0.00 -0.06 -0.16 0.00 0.37 0.00 0.00 40.66 40.82 1s6l h LEU 204 CO -0.00 0.64 -1.00 0.00 -0.34 0.00 0.00 178.44 177.74 1s6l n GLN 205 N -3.99 -3.03 -3.78 1.25 6.02 -0.42 -5.05 117.38 108.39 1s6l n GLN 205 Ca -0.02 2.36 -0.15 0.00 -0.01 0.00 0.00 57.00 59.18 1s6l n GLN 205 Cb 0.51 -3.58 -0.06 0.00 1.02 0.00 0.00 30.24 28.13 1s6l n GLN 205 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 1s6l n THR 206 N -4.21 0.00 -0.21 5.09 -2.24 -1.26 -5.06 114.28 106.39 1s6l n THR 206 Ca -0.06 -1.91 0.00 0.00 -2.27 0.00 0.00 64.05 59.82 1s6l n THR 206 Cb 0.64 0.98 0.00 0.00 -2.10 0.00 0.00 70.33 69.85 1s6l n THR 206 CO 0.00 0.00 0.00 0.80 -0.57 0.00 0.00 175.07 175.30 1s6l n MET 207 N -0.51 -1.47 0.00 -0.78 1.56 -1.26 -5.03 117.12 109.63 1s6l n MET 207 Ca 0.05 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.48 1s6l n MET 207 Cb 0.49 0.00 0.00 0.00 2.15 0.00 0.00 33.22 35.86 1s6l n MET 207 CO 0.00 0.00 0.00 0.45 -0.73 0.00 0.00 175.97 175.69 1s6l n SER 208 N -2.89 2.12 -3.12 6.12 2.88 -1.26 -5.08 113.62 112.40 1s6l n SER 208 Ca 0.00 0.00 -0.15 0.00 -1.33 0.00 0.00 58.87 57.39 1s6l n SER 208 Cb 0.00 0.00 0.15 0.00 -0.75 0.00 0.00 64.21 63.61 1s6l n SER 208 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1s6l n SER 209 N -2.52 -3.10 -2.70 -3.46 3.41 -1.26 -4.71 113.62 99.29 1s6l n SER 209 Ca 0.00 -0.44 -0.02 0.00 -0.26 0.00 0.00 58.87 58.15 1s6l n SER 209 Cb 0.41 -0.51 0.00 0.00 -0.26 0.00 0.00 64.21 63.85 1s6l n SER 209 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1s6l n ARG 210 N -3.87 -3.13 0.09 4.33 5.12 -1.26 -4.95 116.66 112.99 1s6l n ARG 210 Ca 0.07 2.56 -0.14 0.00 -1.93 0.00 0.00 57.85 58.42 1s6l n ARG 210 Cb 0.30 -5.29 -0.10 0.00 -1.16 0.00 0.00 32.46 26.21 1s6l n ARG 210 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1s6l h THR 211 N 2.69 1.49 0.00 0.55 1.03 -2.04 -3.53 112.91 113.11 1s6l h THR 211 Ca 0.00 -2.90 0.00 0.00 -0.01 0.00 0.00 66.41 63.50 1s6l h THR 211 Cb 0.22 2.76 0.00 0.00 -1.07 0.00 0.00 68.15 70.07 1s6l h THR 211 CO 0.12 0.85 0.00 -2.65 -0.01 0.00 0.00 175.52 173.83