#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 5.83 -0.00 0.00 1.11 -1.26 -4.64 116.67 117.70 1s6l s ASP 22 Ca 0.00 -1.85 -0.04 0.00 0.18 0.00 0.00 52.55 50.84 1s6l s ASP 22 Cb 0.00 -2.06 0.01 0.00 1.07 0.00 0.00 42.92 41.94 1s6l s ASP 22 CO 0.00 -0.73 0.17 0.00 1.18 0.00 0.00 175.17 175.79 1s6l n LEU 23 N 5.00 0.00 -1.25 1.23 -0.00 -1.26 -5.11 117.00 115.61 1s6l n LEU 23 Ca -0.10 -0.07 0.15 0.00 -0.00 0.00 0.00 56.01 56.00 1s6l n LEU 23 Cb 0.41 0.26 -0.08 0.00 -0.00 0.00 0.00 43.42 44.01 1s6l n LEU 23 CO 0.46 -0.02 -0.52 -0.11 -0.00 0.00 0.00 177.39 177.20 1s6l n LEU 24 N 0.00 -0.87 -3.99 1.47 7.94 -1.26 -4.86 117.00 115.44 1s6l n LEU 24 Ca 0.01 2.01 -0.42 0.00 -1.11 0.00 0.00 56.01 56.50 1s6l n LEU 24 Cb 0.08 -3.05 0.02 0.00 0.53 0.00 0.00 43.42 41.00 1s6l n LEU 24 CO 0.02 -2.07 -0.16 1.33 -1.11 0.00 0.00 177.39 175.40 1s6l n VAL 25 N -4.05 -3.32 0.06 1.96 0.24 -1.26 -4.67 118.33 107.30 1s6l n VAL 25 Ca -0.07 -0.59 0.21 0.00 -2.04 0.00 0.00 64.34 61.85 1s6l n VAL 25 Cb 0.59 -2.70 0.73 0.00 -1.47 0.00 0.00 33.84 30.99 1s6l n VAL 25 CO 0.00 0.00 0.00 -0.65 -2.14 0.00 0.00 176.83 174.04 1s6l h PRO 26 N -2.28 0.00 0.06 7.34 0.11 -1.97 -1.92 132.00 133.34 1s6l h PRO 26 Ca -0.70 0.00 0.02 0.00 0.11 0.00 0.00 66.00 65.44 1s6l h PRO 26 Cb 1.40 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.46 1s6l h PRO 26 CO 0.50 0.00 -0.42 1.25 -0.21 0.00 0.00 178.00 179.12 1s6l h LEU 27 N 0.00 -1.24 0.00 2.35 6.46 -1.99 0.57 115.31 121.46 1s6l h LEU 27 Ca 0.22 0.14 -0.15 0.00 -0.12 0.00 0.00 57.88 57.97 1s6l h LEU 27 Cb 1.18 0.48 -0.02 0.00 -0.73 0.00 0.00 40.66 41.56 1s6l h LEU 27 CO -0.00 -0.47 -0.74 -0.07 -0.62 0.00 0.00 178.44 176.54 1s6l h LEU 28 N -0.61 0.00 0.25 2.25 3.38 -1.79 -2.72 115.31 116.06 1s6l h LEU 28 Ca 0.03 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 1s6l h LEU 28 Cb 0.66 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.42 1s6l h LEU 28 CO -0.28 0.73 -0.12 -0.09 0.09 0.00 0.00 178.44 178.77 1s6l h ARG 29 N 0.00 -0.33 0.00 1.13 1.12 -0.97 -0.84 114.38 114.50 1s6l h ARG 29 Ca -0.01 0.02 -0.02 0.00 -1.11 0.00 0.00 59.98 58.86 1s6l h ARG 29 Cb 1.56 0.07 -0.00 0.00 -0.01 0.00 0.00 29.97 31.60 1s6l h ARG 29 CO 0.09 -0.06 -0.10 0.93 -3.11 0.00 0.00 179.97 177.72 1s6l h GLU 30 N -0.57 0.00 -0.34 0.20 3.07 0.04 -2.41 114.58 114.58 1s6l h GLU 30 Ca -0.03 0.00 -0.15 0.00 -0.50 0.00 0.00 59.36 58.68 1s6l h GLU 30 Cb 0.42 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.32 1s6l h GLU 30 CO 0.06 0.10 -0.38 1.25 -1.40 0.00 0.00 179.01 178.64 1s6l h LEU 31 N 0.00 0.85 -1.98 1.33 7.12 -1.06 -2.87 115.31 118.70 1s6l h LEU 31 Ca -0.00 -0.38 0.11 0.00 0.13 0.00 0.00 57.88 57.74 1s6l h LEU 31 Cb 0.38 -0.24 -0.02 0.00 -0.53 0.00 0.00 40.66 40.25 1s6l h LEU 31 CO 0.01 1.13 0.43 0.00 -0.13 0.00 0.00 178.44 179.89 1s6l h ALA 32 N 0.91 2.08 0.00 1.25 0.00 -0.63 0.92 119.26 123.79 1s6l h ALA 32 Ca 0.06 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1s6l h ALA 32 Cb 0.94 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.75 1s6l h ALA 32 CO 0.09 -0.63 -0.03 0.87 0.00 0.00 0.00 179.25 179.54 1s6l h LYS 33 N 0.00 0.00 -4.54 0.00 6.56 -1.62 -3.39 116.57 113.58 1s6l h LYS 33 Ca 0.19 0.00 -0.28 0.00 -1.06 0.00 0.00 60.65 59.50 1s6l h LYS 33 Cb 1.05 0.00 0.11 0.00 -0.57 0.00 0.00 32.23 32.81 1s6l h LYS 33 CO -0.00 0.03 -0.51 0.41 -2.06 0.00 0.00 179.45 177.32 1s6l n GLY 34 N -0.33 -0.13 3.29 3.86 0.00 0.32 -5.02 105.19 107.17 1s6l n GLY 34 Ca -0.01 -0.02 -0.15 0.00 0.00 0.00 0.00 46.02 45.84 1s6l n GLY 34 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1s6l s ARG 35 N -5.71 1.25 -0.25 1.61 0.52 -1.26 -5.11 118.95 110.00 1s6l s ARG 35 Ca 0.32 -1.63 -0.29 0.00 -0.52 0.00 0.00 55.73 53.61 1s6l s ARG 35 Cb -0.14 -0.40 -0.02 0.00 0.52 0.00 0.00 34.95 34.91 1s6l s ARG 35 CO 0.53 -0.15 1.58 -1.25 0.02 0.00 0.00 175.30 176.03 1s6l s PRO 36 N -3.92 3.76 -0.29 3.54 0.04 -1.26 -4.90 135.00 131.97 1s6l s PRO 36 Ca 0.28 1.56 -0.01 0.00 0.04 0.00 0.00 61.00 62.87 1s6l s PRO 36 Cb 0.06 -4.03 0.05 0.00 0.04 0.00 0.00 34.50 30.62 1s6l s PRO 36 CO 0.07 -1.33 -0.02 0.08 0.04 0.00 0.00 177.00 175.84 1s6l s VAL 37 N 5.24 2.85 0.14 -0.36 1.01 -1.26 -5.10 120.40 122.93 1s6l s VAL 37 Ca 0.70 -1.41 -0.01 0.00 0.00 0.00 0.00 61.98 61.26 1s6l s VAL 37 Cb -0.23 -2.64 0.03 0.00 0.00 0.00 0.00 36.38 33.54 1s6l s VAL 37 CO 0.29 -0.08 0.19 -1.54 0.00 0.00 0.00 175.10 173.96 1s6l n SER 38 N 4.59 0.15 0.09 3.32 3.41 -1.26 -3.90 113.62 120.03 1s6l n SER 38 Ca -0.13 -1.15 -0.17 0.00 -0.26 0.00 0.00 58.87 57.15 1s6l n SER 38 Cb 0.43 -0.13 -0.10 0.00 -0.26 0.00 0.00 64.21 64.15 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 0.42 0.00 4.33 0.11 -1.97 -0.68 114.38 116.58 1s6l h ARG 39 Ca -0.06 -0.57 -0.06 0.00 0.10 0.00 0.00 59.98 59.39 1s6l h ARG 39 Cb 0.20 0.19 -0.01 0.00 1.11 0.00 0.00 29.97 31.47 1s6l h ARG 39 CO 0.06 1.23 -0.28 1.79 0.10 0.00 0.00 179.97 182.87 1s6l h THR 40 N 0.18 1.14 0.16 0.08 1.35 -1.96 1.54 112.91 115.40 1s6l h THR 40 Ca -0.13 -0.97 -0.28 0.00 -0.55 0.00 0.00 66.41 64.48 1s6l h THR 40 Cb 1.83 1.53 0.01 0.00 -1.73 0.00 0.00 68.15 69.79 1s6l h THR 40 CO 0.20 0.27 -1.34 0.74 -0.25 0.00 0.00 175.52 175.14 1s6l h THR 41 N 0.00 1.17 -0.56 6.82 2.02 -1.94 1.24 112.91 121.67 1s6l h THR 41 Ca -0.00 -2.50 -0.03 0.00 0.77 0.00 0.00 66.41 64.65 1s6l h THR 41 Cb 0.51 2.90 -0.03 0.00 -1.74 0.00 0.00 68.15 69.79 1s6l h THR 41 CO 0.04 0.75 0.22 -0.07 0.37 0.00 0.00 175.52 176.83 1s6l h LEU 42 N -0.17 0.74 -0.13 2.58 3.38 -0.83 1.75 115.31 122.63 1s6l h LEU 42 Ca -0.27 -0.09 -0.15 0.00 0.09 0.00 0.00 57.88 57.46 1s6l h LEU 42 Cb 1.86 -0.19 0.01 0.00 0.09 0.00 0.00 40.66 42.43 1s6l h LEU 42 CO 0.14 0.67 -0.50 0.00 0.09 0.00 0.00 178.44 178.83 1s6l h ALA 43 N 1.44 0.24 -0.09 1.53 0.00 0.22 0.17 119.26 122.77 1s6l h ALA 43 Ca 0.19 -0.50 -0.08 0.00 0.00 0.00 0.00 54.91 54.52 1s6l h ALA 43 Cb 0.17 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1s6l h ALA 43 CO -0.02 0.42 -0.32 0.78 0.00 0.00 0.00 179.25 180.11 1s6l h GLY 44 N 0.21 0.19 1.36 0.00 0.00 0.25 0.34 103.07 105.43 1s6l h GLY 44 Ca -0.02 -0.15 -0.31 0.00 0.00 0.00 0.00 47.33 46.84 1s6l h GLY 44 CO 0.11 0.14 -1.37 -2.22 0.00 0.00 0.00 176.54 173.19 1s6l h ILE 45 N 0.15 1.34 0.00 2.60 2.04 0.27 -3.09 117.51 120.83 1s6l h ILE 45 Ca 0.02 -2.75 0.00 0.00 1.00 0.00 0.00 64.86 63.13 1s6l h ILE 45 Cb 0.65 2.95 0.00 0.00 -0.74 0.00 0.00 36.82 39.68 1s6l h ILE 45 CO 0.05 0.82 0.00 0.18 0.00 0.00 0.00 178.15 179.20 1s6l n LEU 46 N -3.68 0.00 -1.80 1.44 4.32 0.57 -4.85 117.00 113.01 1s6l n LEU 46 Ca -0.14 0.50 -0.20 0.00 -0.02 0.00 0.00 56.01 56.15 1s6l n LEU 46 Cb 1.06 -0.50 -0.07 0.00 -1.62 0.00 0.00 43.42 42.29 1s6l n LEU 46 CO 0.58 -0.05 -0.21 -0.67 -1.22 0.00 0.00 177.39 175.83 1s6l n ASP 47 N -1.50 -5.47 -4.76 -1.43 -0.08 0.98 -4.95 116.55 99.34 1s6l n ASP 47 Ca 0.06 0.37 -0.36 0.00 -1.51 0.00 0.00 54.79 53.36 1s6l n ASP 47 Cb 0.31 -4.77 -0.08 0.00 2.34 0.00 0.00 41.12 38.92 1s6l n ASP 47 CO 0.00 0.00 0.00 0.26 0.12 0.00 0.00 177.20 177.58 1s6l s TRP 48 N -2.80 3.39 0.40 -0.67 0.51 0.04 -5.00 118.94 114.80 1s6l s TRP 48 Ca 0.00 0.32 -0.25 0.00 -2.12 0.00 0.00 56.10 54.05 1s6l s TRP 48 Cb 0.00 -1.94 -0.11 0.00 -0.81 0.00 0.00 33.47 30.61 1s6l s TRP 48 CO 0.00 0.50 1.06 -0.35 -0.51 0.00 0.00 176.95 177.65 1s6l n PRO 49 N 2.48 1.48 0.31 4.98 -0.04 -1.26 -4.48 135.00 138.45 1s6l n PRO 49 Ca -0.19 0.53 0.14 0.00 -0.04 0.00 0.00 63.50 63.94 1s6l n PRO 49 Cb 0.54 -2.07 0.73 0.00 -0.04 0.00 0.00 33.50 32.65 1s6l n PRO 49 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1s6l h ALA 50 N 1.74 1.50 0.17 0.55 0.00 -1.93 0.52 119.26 121.80 1s6l h ALA 50 Ca -0.44 -0.00 -0.31 0.00 0.00 0.00 0.00 54.91 54.15 1s6l h ALA 50 Cb 1.33 0.00 0.03 0.00 0.00 0.00 0.00 17.79 19.16 1s6l h ALA 50 CO 0.58 -0.45 -1.33 0.93 0.00 0.00 0.00 179.25 178.98 1s6l h GLU 51 N 0.00 0.60 -0.42 0.00 5.08 -1.97 0.16 114.58 118.03 1s6l h GLU 51 Ca 0.03 -0.87 -0.12 0.00 -1.00 0.00 0.00 59.36 57.39 1s6l h GLU 51 Cb 0.87 0.30 -0.01 0.00 0.50 0.00 0.00 28.75 30.41 1s6l h GLU 51 CO -0.00 1.41 -0.22 0.00 -1.00 0.00 0.00 179.01 179.19 1s6l h ARG 52 N 0.24 0.85 -0.12 2.33 2.47 -1.26 0.45 114.38 119.32 1s6l h ARG 52 Ca -0.21 -0.35 -0.02 0.00 -1.26 0.00 0.00 59.98 58.14 1s6l h ARG 52 Cb 2.01 -0.04 -0.00 0.00 -1.65 0.00 0.00 29.97 30.29 1s6l h ARG 52 CO 0.25 0.98 0.01 0.28 0.56 0.00 0.00 179.97 182.06 1s6l h VAL 53 N 0.73 1.24 -0.14 2.04 2.07 -1.36 -1.75 116.25 119.08 1s6l h VAL 53 Ca 0.10 -0.76 0.05 0.00 0.82 0.00 0.00 66.70 66.91 1s6l h VAL 53 Cb 0.76 1.50 -0.06 0.00 -1.52 0.00 0.00 31.29 31.97 1s6l h VAL 53 CO 0.06 0.22 -0.29 0.00 0.02 0.00 0.00 177.57 177.58 1s6l h ALA 54 N 0.77 -0.30 -0.87 1.67 0.00 -0.27 -0.34 119.26 119.93 1s6l h ALA 54 Ca 0.04 0.03 0.14 0.00 0.00 0.00 0.00 54.91 55.12 1s6l h ALA 54 Cb 0.33 0.56 -0.09 0.00 0.00 0.00 0.00 17.79 18.58 1s6l h ALA 54 CO 0.00 -0.76 0.47 0.00 0.00 0.00 0.00 179.25 178.97 1s6l h ALA 55 N 0.52 1.32 -0.12 0.00 0.00 0.01 0.20 119.26 121.20 1s6l h ALA 55 Ca 0.10 0.08 -0.06 0.00 0.00 0.00 0.00 54.91 55.03 1s6l h ALA 55 Cb 0.51 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1s6l h ALA 55 CO -0.34 -0.05 -0.19 0.28 0.00 0.00 0.00 179.25 178.95 1s6l h VAL 56 N 0.67 1.20 -0.41 0.00 2.07 -0.27 -2.36 116.25 117.14 1s6l h VAL 56 Ca 0.47 -0.90 -0.04 0.00 0.82 0.00 0.00 66.70 67.05 1s6l h VAL 56 Cb 0.64 1.32 -0.02 0.00 -1.52 0.00 0.00 31.29 31.71 1s6l h VAL 56 CO -0.35 0.27 0.09 0.25 0.02 0.00 0.00 177.57 177.85 1s6l h LEU 57 N 0.18 0.57 -2.45 2.57 5.85 0.10 -1.53 115.31 120.60 1s6l h LEU 57 Ca 0.03 -0.09 0.02 0.00 0.84 0.00 0.00 57.88 58.69 1s6l h LEU 57 Cb 0.45 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 41.32 1s6l h LEU 57 CO 0.03 0.58 0.14 -0.33 -0.34 0.00 0.00 178.44 178.52 1s6l h GLU 58 N 0.60 0.00 0.00 1.25 3.07 -1.04 0.87 114.58 119.33 1s6l h GLU 58 Ca 0.14 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.97 1s6l h GLU 58 Cb 0.25 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.15 1s6l h GLU 58 CO -0.00 0.00 -1.68 1.04 -1.40 0.00 0.00 179.01 176.97 1s6l n GLN 59 N -3.42 0.64 -1.21 2.33 6.02 -0.61 -4.16 117.38 116.97 1s6l n GLN 59 Ca -0.01 -0.07 -0.25 0.00 -0.01 0.00 0.00 57.00 56.66 1s6l n GLN 59 Cb 0.23 -1.63 0.16 0.00 1.02 0.00 0.00 30.24 30.01 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 -2.26 5.66 0.17 -1.58 0.00 0.27 -4.43 120.51 118.34 1s6l n ALA 60 Ca -0.04 -2.92 0.03 0.00 0.00 0.00 0.00 53.44 50.51 1s6l n ALA 60 Cb 0.60 -1.50 0.30 0.00 0.00 0.00 0.00 19.45 18.85 1s6l n ALA 60 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1s6l h THR 61 N 0.97 1.09 0.00 0.00 1.35 -1.63 -2.89 112.91 111.80 1s6l h THR 61 Ca 0.61 -1.66 -0.09 0.00 -0.55 0.00 0.00 66.41 64.72 1s6l h THR 61 Cb 2.44 1.96 -0.01 0.00 -1.73 0.00 0.00 68.15 70.81 1s6l h THR 61 CO 1.17 0.44 -0.44 0.28 -0.25 0.00 0.00 175.52 176.71 1s6l h SER 62 N 0.00 0.00 -3.97 5.36 0.02 -1.90 -3.45 113.55 109.61 1s6l h SER 62 Ca -0.00 0.00 -0.54 0.00 -0.84 0.00 0.00 61.79 60.40 1s6l h SER 62 Cb 0.92 0.00 0.11 0.00 0.14 0.00 0.00 62.40 63.58 1s6l h SER 62 CO 0.06 0.44 0.75 -0.89 -1.14 0.00 0.00 176.83 176.04 1s6l s THR 63 N -3.29 2.04 0.10 -2.27 2.01 -1.09 -4.96 115.64 108.18 1s6l s THR 63 Ca 0.02 0.04 -0.30 0.00 0.31 0.00 0.00 61.69 61.75 1s6l s THR 63 Cb 0.09 -3.02 -0.06 0.00 0.01 0.00 0.00 72.50 69.53 1s6l s THR 63 CO 0.71 0.01 1.00 -1.83 -0.69 0.00 0.00 174.62 173.82 1s6l s GLU 64 N -2.26 4.64 0.47 4.92 -1.05 -1.26 -5.03 118.70 119.13 1s6l s GLU 64 Ca 0.57 1.51 0.08 0.00 -0.15 0.00 0.00 54.97 56.97 1s6l s GLU 64 Cb -0.45 -3.37 0.02 0.00 -0.44 0.00 0.00 34.13 29.88 1s6l s GLU 64 CO 0.60 0.12 0.49 0.71 0.95 0.00 0.00 175.26 178.13 1s6l s TYR 65 N 0.19 2.25 -0.06 4.83 2.02 -1.26 -3.03 117.35 122.29 1s6l s TYR 65 Ca 0.49 -0.60 -0.14 0.00 -0.37 0.00 0.00 57.07 56.45 1s6l s TYR 65 Cb -0.24 -2.16 0.03 0.00 -0.40 0.00 0.00 41.96 39.19 1s6l s TYR 65 CO 0.30 -0.44 0.33 0.34 -1.57 0.00 0.00 175.55 174.52 1s6l s ASP 66 N -4.30 -0.27 1.22 2.29 2.15 -0.69 -4.89 116.67 112.19 1s6l s ASP 66 Ca 0.49 0.35 0.00 0.00 0.43 0.00 0.00 52.55 53.81 1s6l s ASP 66 Cb -0.04 0.48 0.00 0.00 -0.30 0.00 0.00 42.92 43.06 1s6l s ASP 66 CO 0.29 -0.32 0.00 1.17 -0.17 0.00 0.00 175.17 176.14 1s6l n LYS 67 N 1.92 0.00 0.02 4.34 4.81 -1.26 -1.70 118.16 126.29 1s6l n LYS 67 Ca -0.18 0.00 0.12 0.00 -0.87 0.00 0.00 58.31 57.38 1s6l n LYS 67 Cb 0.57 0.00 0.32 0.00 0.02 0.00 0.00 35.03 35.93 1s6l n LYS 67 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1s6l n ASP 68 N 9.59 0.46 0.00 3.14 8.00 -1.26 -4.89 116.55 131.60 1s6l n ASP 68 Ca 0.00 0.05 0.00 0.00 0.71 0.00 0.00 54.79 55.55 1s6l n ASP 68 Cb 0.00 0.01 0.00 0.00 -0.02 0.00 0.00 41.12 41.11 1s6l n ASP 68 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1s6l n GLY 69 N 1.45 1.73 3.85 0.44 0.00 -0.69 -5.14 105.19 106.83 1s6l n GLY 69 Ca 0.05 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.73 5.99 -0.08 1.61 4.22 -0.93 -4.64 114.94 119.38 1s6l s ASN 70 Ca 0.00 1.53 -0.30 0.00 -2.14 0.00 0.00 52.86 51.96 1s6l s ASN 70 Cb 0.00 -2.49 -0.02 0.00 1.28 0.00 0.00 41.25 40.03 1s6l s ASN 70 CO 0.00 -1.03 1.01 -0.63 -2.04 0.00 0.00 177.10 174.42 1s6l s ILE 71 N -3.00 4.77 0.25 0.54 1.09 -1.25 -1.70 121.20 121.89 1s6l s ILE 71 Ca 0.57 2.02 0.13 0.00 -1.10 0.00 0.00 60.65 62.27 1s6l s ILE 71 Cb -0.12 -4.30 0.02 0.00 -1.06 0.00 0.00 42.46 37.00 1s6l s ILE 71 CO 0.50 0.03 1.65 -0.29 -0.10 0.00 0.00 174.94 176.73 1s6l h ILE 72 N 5.03 1.29 0.00 2.92 -0.00 -1.88 -3.44 117.51 121.43 1s6l h ILE 72 Ca -0.33 -1.93 0.00 0.00 -0.00 0.00 0.00 64.86 62.60 1s6l h ILE 72 Cb 1.16 2.07 0.00 0.00 -0.00 0.00 0.00 36.82 40.05 1s6l h ILE 72 CO 0.84 0.53 0.00 0.61 -0.00 0.00 0.00 178.15 180.13 1s6l n GLY 73 N 0.22 1.52 3.44 8.18 0.00 -1.26 -4.94 105.19 112.35 1s6l n GLY 73 Ca -0.01 -0.44 -0.32 0.00 0.00 0.00 0.00 46.02 45.25 1s6l n GLY 73 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1s6l n TYR 74 N 0.00 -1.08 -3.06 1.61 9.36 -1.26 -4.93 117.16 117.81 1s6l n TYR 74 Ca 0.00 0.23 -0.40 0.00 3.32 0.00 0.00 57.90 61.05 1s6l n TYR 74 Cb 0.00 -1.78 -0.05 0.00 -0.63 0.00 0.00 39.34 36.88 1s6l n TYR 74 CO 0.00 0.00 0.00 0.20 0.22 0.00 0.00 176.86 177.28 1s6l s GLY 75 N -2.11 2.23 0.10 2.98 0.00 -1.26 -5.06 107.32 104.20 1s6l s GLY 75 Ca 0.59 -0.09 0.08 0.00 0.00 0.00 0.00 44.72 45.30 1s6l s GLY 75 CO 0.66 1.33 -0.21 -2.27 0.00 0.00 0.00 173.10 172.60 1s6l s LEU 76 N 1.60 2.29 -0.04 0.66 2.96 -1.26 -4.63 118.68 120.26 1s6l s LEU 76 Ca 0.33 -0.68 0.04 0.00 -0.22 0.00 0.00 54.13 53.60 1s6l s LEU 76 Cb -0.16 -0.92 -0.03 0.00 0.50 0.00 0.00 46.19 45.58 1s6l s LEU 76 CO 0.13 0.08 -0.13 0.42 -1.32 0.00 0.00 176.35 175.52 1s6l s THR 77 N -1.12 3.14 0.61 3.68 -4.23 -1.26 -5.00 115.64 111.47 1s6l s THR 77 Ca 0.07 -0.75 0.34 0.00 -1.18 0.00 0.00 61.69 60.17 1s6l s THR 77 Cb -0.10 -2.26 0.38 0.00 1.34 0.00 0.00 72.50 71.86 1s6l s THR 77 CO 0.04 0.55 2.28 -0.07 -0.54 0.00 0.00 174.62 176.88 1s6l h LEU 78 N 5.18 0.00 -9.09 4.79 4.07 -2.01 -3.40 115.31 114.85 1s6l h LEU 78 Ca -0.47 0.00 -0.60 0.00 0.08 0.00 0.00 57.88 56.89 1s6l h LEU 78 Cb 1.16 0.00 -0.11 0.00 1.08 0.00 0.00 40.66 42.78 1s6l h LEU 78 CO 0.50 0.00 -0.10 -0.13 -1.08 0.00 0.00 178.44 177.63 1s6l s ARG 79 N -4.50 4.15 0.45 1.13 0.52 -1.26 -4.94 118.95 114.50 1s6l s ARG 79 Ca -0.05 0.30 0.30 0.00 -0.52 0.00 0.00 55.73 55.76 1s6l s ARG 79 Cb 0.14 -3.57 1.62 0.00 0.52 0.00 0.00 34.95 33.66 1s6l s ARG 79 CO 0.51 -0.15 1.93 1.05 0.02 0.00 0.00 175.30 178.65 1s6l h GLU 80 N 7.57 0.00 0.00 3.54 4.11 -1.95 -3.43 114.58 124.42 1s6l h GLU 80 Ca -0.34 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.09 1s6l h GLU 80 Cb 1.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.41 1s6l h GLU 80 CO 0.72 0.00 0.00 0.25 0.07 0.00 0.00 179.01 180.05 1s6l n THR 81 N -2.57 0.00 -0.04 -1.06 -2.24 -1.26 -4.59 114.28 102.52 1s6l n THR 81 Ca -0.02 0.00 0.01 0.00 -2.27 0.00 0.00 64.05 61.77 1s6l n THR 81 Cb 0.06 0.00 -0.11 0.00 -2.10 0.00 0.00 70.33 68.18 1s6l n THR 81 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1s6l n SER 82 N -3.49 1.52 -4.63 3.42 2.88 -1.26 -4.92 113.62 107.14 1s6l n SER 82 Ca 0.00 0.00 -0.43 0.00 -1.33 0.00 0.00 58.87 57.11 1s6l n SER 82 Cb 0.00 1.28 -0.02 0.00 -0.75 0.00 0.00 64.21 64.72 1s6l n SER 82 CO 0.00 0.00 0.00 -0.31 -1.23 0.00 0.00 175.04 173.50 1s6l s TYR 83 N -2.71 3.07 -0.12 0.66 1.51 -1.26 -4.69 117.35 113.82 1s6l s TYR 83 Ca -0.06 1.03 -0.03 0.00 -1.01 0.00 0.00 57.07 56.99 1s6l s TYR 83 Cb 0.07 -3.82 -0.03 0.00 -0.11 0.00 0.00 41.96 38.06 1s6l s TYR 83 CO 0.61 -0.87 0.00 0.08 -1.11 0.00 0.00 175.55 174.26 1s6l s VAL 84 N 3.77 4.31 -0.28 0.71 1.01 -0.61 -2.07 120.40 127.25 1s6l s VAL 84 Ca 0.45 -0.23 0.00 0.00 0.00 0.00 0.00 61.98 62.19 1s6l s VAL 84 Cb -0.11 -2.85 0.08 0.00 0.00 0.00 0.00 36.38 33.50 1s6l s VAL 84 CO 0.19 0.56 0.03 0.12 0.00 0.00 0.00 175.10 176.00 1s6l s PHE 85 N -0.41 2.20 -0.18 5.22 5.36 -0.31 0.03 117.98 129.90 1s6l s PHE 85 Ca 0.08 -1.85 -0.11 0.00 -0.96 0.00 0.00 56.93 54.09 1s6l s PHE 85 Cb -0.12 -1.79 -0.05 0.00 -0.34 0.00 0.00 43.02 40.72 1s6l s PHE 85 CO 0.02 -0.82 0.19 -1.21 -1.46 0.00 0.00 175.22 171.94 1s6l s GLU 86 N 1.45 4.14 -0.03 10.12 2.02 0.36 0.15 118.70 136.91 1s6l s GLU 86 Ca 0.03 -0.10 -0.01 0.00 0.02 0.00 0.00 54.97 54.91 1s6l s GLU 86 Cb -0.18 -3.40 0.03 0.00 0.10 0.00 0.00 34.13 30.68 1s6l s GLU 86 CO -0.14 0.33 0.05 0.96 0.02 0.00 0.00 175.26 176.49 1s6l s ILE 87 N 0.24 -0.10 0.00 -1.63 -4.36 -0.09 0.13 121.20 115.40 1s6l s ILE 87 Ca 0.12 0.37 0.00 0.00 -0.26 0.00 0.00 60.65 60.87 1s6l s ILE 87 Cb -0.12 -0.13 0.00 0.00 1.25 0.00 0.00 42.46 43.46 1s6l s ILE 87 CO 0.01 0.15 0.00 -0.67 0.24 0.00 0.00 174.94 174.67 1s6l n ASP 88 N 4.97 0.00 -2.20 4.36 -0.08 -1.26 -1.17 116.55 121.18 1s6l n ASP 88 Ca -0.10 0.00 -0.03 0.00 -1.51 0.00 0.00 54.79 53.14 1s6l n ASP 88 Cb 0.50 0.00 0.07 0.00 2.34 0.00 0.00 41.12 44.03 1s6l n ASP 88 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 1s6l n ASP 89 N 0.46 -1.23 -3.94 1.67 -0.08 -1.26 -5.12 116.55 107.04 1s6l n ASP 89 Ca 0.00 -2.15 -0.10 0.00 -1.51 0.00 0.00 54.79 51.02 1s6l n ASP 89 Cb 0.00 0.54 -0.12 0.00 2.34 0.00 0.00 41.12 43.88 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 -0.01 0.20 -0.76 -0.67 1.81 -0.32 -4.94 118.95 114.26 1s6l s ARG 90 Ca 0.07 -0.37 -0.04 0.00 -1.72 0.00 0.00 55.73 53.67 1s6l s ARG 90 Cb 0.32 0.04 0.19 0.00 -0.45 0.00 0.00 34.95 35.06 1s6l s ARG 90 CO -0.09 -0.02 0.62 -0.98 -0.68 0.00 0.00 175.30 174.14 1s6l s ARG 91 N -0.87 2.99 0.86 3.54 3.03 -1.26 -0.91 118.95 126.33 1s6l s ARG 91 Ca -0.09 -2.81 -0.11 0.00 2.03 0.00 0.00 55.73 54.74 1s6l s ARG 91 Cb -0.06 -3.92 0.11 0.00 -1.03 0.00 0.00 34.95 30.05 1s6l s ARG 91 CO -0.01 -1.22 1.09 -0.51 -1.13 0.00 0.00 175.30 173.52 1s6l s LEU 92 N -0.54 2.39 0.15 -1.89 2.01 0.40 -4.84 118.68 116.36 1s6l s LEU 92 Ca 0.21 1.45 0.05 0.00 0.01 0.00 0.00 54.13 55.85 1s6l s LEU 92 Cb -0.14 -3.93 -0.04 0.00 0.01 0.00 0.00 46.19 42.08 1s6l s LEU 92 CO -0.07 -2.42 -0.10 -0.31 1.01 0.00 0.00 176.35 174.45 1s6l s TYR 93 N -3.00 1.31 0.11 0.29 2.02 -1.26 -1.16 117.35 115.66 1s6l s TYR 93 Ca 0.63 -0.74 -0.08 0.00 -0.37 0.00 0.00 57.07 56.50 1s6l s TYR 93 Cb -0.17 -0.66 -0.01 0.00 -0.40 0.00 0.00 41.96 40.73 1s6l s TYR 93 CO 0.56 0.11 0.20 0.00 -1.57 0.00 0.00 175.55 174.84 1s6l s ALA 94 N -3.30 -0.10 -0.14 3.71 0.00 -0.88 -4.31 121.76 116.75 1s6l s ALA 94 Ca 0.17 -0.74 0.18 0.00 0.00 0.00 0.00 51.96 51.57 1s6l s ALA 94 Cb 0.02 0.58 -0.12 0.00 0.00 0.00 0.00 23.12 23.60 1s6l s ALA 94 CO 0.01 -0.54 0.84 0.91 0.00 0.00 0.00 175.76 176.98 1s6l n TRP 95 N -0.09 0.94 -4.09 0.00 8.01 -1.26 -4.09 117.44 116.86 1s6l n TRP 95 Ca -0.13 0.31 -0.12 0.00 -1.31 0.00 0.00 57.50 56.25 1s6l n TRP 95 Cb 0.63 -1.05 -0.06 0.00 -2.01 0.00 0.00 31.31 28.81 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 2.32 1.51 0.00 0.00 0.00 -1.30 -2.56 119.26 119.23 1s6l h ALA 97 Ca -0.29 -0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.48 1s6l h ALA 97 Cb 1.25 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.02 1s6l h ALA 97 CO 0.41 -0.38 -0.79 1.25 0.00 0.00 0.00 179.25 179.74 1s6l h LEU 98 N 0.00 0.00 -1.46 0.00 5.85 -1.89 -3.36 115.31 114.44 1s6l h LEU 98 Ca 0.05 -0.56 0.23 0.00 0.84 0.00 0.00 57.88 58.43 1s6l h LEU 98 Cb 0.71 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.71 1s6l h LEU 98 CO -0.00 1.24 0.89 0.44 -0.34 0.00 0.00 178.44 180.67 1s6l h ASP 99 N -1.00 0.00 -0.66 1.25 5.19 -1.84 0.30 116.42 119.66 1s6l h ASP 99 Ca -0.20 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.21 1s6l h ASP 99 Cb 1.08 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 40.55 1s6l h ASP 99 CO -0.12 0.00 0.42 0.71 -3.12 0.00 0.00 179.24 177.13 1s6l h THR 100 N 0.00 1.18 -4.13 0.35 1.35 -1.70 -3.44 112.91 106.52 1s6l h THR 100 Ca 0.37 -0.36 -0.25 0.00 -0.55 0.00 0.00 66.41 65.63 1s6l h THR 100 Cb 2.15 0.22 -0.15 0.00 -1.73 0.00 0.00 68.15 68.64 1s6l h THR 100 CO -0.00 0.18 -0.65 -1.48 -0.25 0.00 0.00 175.52 173.32 1s6l s LEU 101 N -9.74 1.80 0.00 3.87 2.34 0.11 -4.82 118.68 112.23 1s6l s LEU 101 Ca -0.10 -1.24 0.00 0.00 0.06 0.00 0.00 54.13 52.85 1s6l s LEU 101 Cb 0.17 0.15 0.00 0.00 -0.56 0.00 0.00 46.19 45.96 1s6l s LEU 101 CO 0.77 -0.69 0.00 -0.38 -1.06 0.00 0.00 176.35 175.00 1s6l n ILE 102 N -0.21 0.00 -3.17 1.48 -0.00 -1.26 -4.86 119.36 111.34 1s6l n ILE 102 Ca -0.04 0.00 -0.21 0.00 -0.00 0.00 0.00 62.75 62.50 1s6l n ILE 102 Cb 0.64 -0.28 -0.05 0.00 -0.00 0.00 0.00 39.64 39.96 1s6l n ILE 102 CO 0.00 0.00 0.00 0.49 -0.00 0.00 0.00 176.55 177.04 1s6l n PHE 103 N -2.18 -0.31 0.12 1.39 3.72 -1.26 -4.96 117.46 113.99 1s6l n PHE 103 Ca 0.00 -3.57 0.12 0.00 -0.05 0.00 0.00 57.45 53.95 1s6l n PHE 103 Cb 0.00 -0.27 0.63 0.00 -0.94 0.00 0.00 39.48 38.90 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 3.58 0.07 0.00 -1.08 0.11 -1.94 -0.41 132.00 132.34 1s6l h PRO 104 Ca 0.07 -0.00 -0.07 0.00 0.11 0.00 0.00 66.00 66.10 1s6l h PRO 104 Cb 0.93 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.01 1s6l h PRO 104 CO 0.46 0.05 -0.35 0.00 -0.21 0.00 0.00 178.00 177.95 1s6l h ALA 105 N 1.86 0.78 0.07 -0.75 0.00 -1.82 -3.31 119.26 116.09 1s6l h ALA 105 Ca 0.12 -0.32 -0.30 0.00 0.00 0.00 0.00 54.91 54.42 1s6l h ALA 105 Cb 0.40 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1s6l h ALA 105 CO -0.01 0.44 -1.56 1.25 0.00 0.00 0.00 179.25 179.36 1s6l h LEU 106 N 0.00 0.24 -0.45 0.00 6.46 -1.48 -3.36 115.31 116.72 1s6l h LEU 106 Ca -0.00 -0.38 0.07 0.00 -0.12 0.00 0.00 57.88 57.45 1s6l h LEU 106 Cb 1.24 -0.08 -0.06 0.00 -0.73 0.00 0.00 40.66 41.03 1s6l h LEU 106 CO 0.05 1.32 0.10 -0.29 -0.62 0.00 0.00 178.44 179.00 1s6l h ILE 107 N 0.04 0.77 0.00 4.05 6.09 -1.34 -3.46 117.51 123.66 1s6l h ILE 107 Ca -0.25 -0.08 0.00 0.00 -1.37 0.00 0.00 64.86 63.16 1s6l h ILE 107 Cb 1.99 0.51 0.00 0.00 0.47 0.00 0.00 36.82 39.79 1s6l h ILE 107 CO 0.13 0.04 0.00 0.61 -3.07 0.00 0.00 178.15 175.86 1s6l n GLY 108 N -1.26 0.94 3.56 8.18 0.00 -1.26 -4.72 105.19 110.63 1s6l n GLY 108 Ca 0.04 -0.22 -0.11 0.00 0.00 0.00 0.00 46.02 45.73 1s6l n GLY 108 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1s6l s ARG 109 N -0.51 1.71 0.48 1.61 1.81 -1.26 -4.69 118.95 118.10 1s6l s ARG 109 Ca 0.00 -1.45 -0.19 0.00 -1.72 0.00 0.00 55.73 52.37 1s6l s ARG 109 Cb 0.00 0.47 -0.09 0.00 -0.45 0.00 0.00 34.95 34.88 1s6l s ARG 109 CO 0.00 -0.71 0.98 0.99 -0.68 0.00 0.00 175.30 175.88 1s6l s THR 110 N -3.57 4.31 -0.19 0.02 2.01 -1.26 -4.08 115.64 112.88 1s6l s THR 110 Ca 0.25 1.30 -0.04 0.00 0.31 0.00 0.00 61.69 63.52 1s6l s THR 110 Cb -0.01 -3.60 0.06 0.00 0.01 0.00 0.00 72.50 68.96 1s6l s THR 110 CO 0.13 -0.44 0.06 0.00 -0.69 0.00 0.00 174.62 173.68 1s6l s ALA 111 N -2.32 0.73 -0.24 7.40 0.00 0.42 -4.04 121.76 123.71 1s6l s ALA 111 Ca 0.62 -0.53 -0.27 0.00 0.00 0.00 0.00 51.96 51.78 1s6l s ALA 111 Cb -0.11 -1.12 0.00 0.00 0.00 0.00 0.00 23.12 21.90 1s6l s ALA 111 CO 0.22 -1.19 0.94 1.03 0.00 0.00 0.00 175.76 176.76 1s6l s ARG 112 N 1.99 4.20 -0.14 0.00 0.52 0.35 0.15 118.95 126.02 1s6l s ARG 112 Ca 0.01 1.13 -0.02 0.00 -0.52 0.00 0.00 55.73 56.33 1s6l s ARG 112 Cb -0.17 -3.65 -0.02 0.00 0.52 0.00 0.00 34.95 31.63 1s6l s ARG 112 CO -0.09 -0.60 -0.09 0.08 0.02 0.00 0.00 175.30 174.62 1s6l s VAL 113 N 3.07 3.47 -0.04 3.52 1.01 0.32 0.14 120.40 131.88 1s6l s VAL 113 Ca 0.40 -0.51 0.06 0.00 0.00 0.00 0.00 61.98 61.92 1s6l s VAL 113 Cb -0.15 -2.49 -0.01 0.00 0.00 0.00 0.00 36.38 33.73 1s6l s VAL 113 CO 0.07 0.51 -0.22 -0.44 0.00 0.00 0.00 175.10 175.02 1s6l s SER 114 N 0.30 2.71 0.25 3.32 0.01 0.10 0.12 113.70 120.51 1s6l s SER 114 Ca -0.07 -0.44 -0.00 0.00 1.31 0.00 0.00 55.95 56.75 1s6l s SER 114 Cb -0.15 -0.58 -0.03 0.00 0.21 0.00 0.00 66.02 65.47 1s6l s SER 114 CO 0.04 0.24 0.22 -0.44 0.41 0.00 0.00 173.24 173.71 1s6l s SER 115 N -0.25 0.55 -0.02 2.44 0.01 0.58 -1.57 113.70 115.43 1s6l s SER 115 Ca 0.01 -1.44 0.01 0.00 1.31 0.00 0.00 55.95 55.84 1s6l s SER 115 Cb -0.11 0.46 0.01 0.00 0.21 0.00 0.00 66.02 66.59 1s6l s SER 115 CO 0.02 -0.95 -0.03 -1.00 0.41 0.00 0.00 173.24 171.69 1s6l s HIS 116 N -3.90 0.42 0.23 2.43 3.76 -1.26 0.12 115.29 117.09 1s6l s HIS 116 Ca 0.37 -0.07 -0.31 0.00 -0.15 0.00 0.00 55.06 54.90 1s6l s HIS 116 Cb 0.05 -0.36 -0.11 0.00 1.11 0.00 0.00 32.58 33.26 1s6l s HIS 116 CO 0.16 -0.07 1.62 0.00 -0.85 0.00 0.00 174.74 175.59 1s6l n ALA 118 N 3.24 2.02 0.00 0.00 0.00 -1.22 -0.54 120.51 124.02 1s6l n ALA 118 Ca 0.12 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.47 1s6l n ALA 118 Cb 0.37 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.53 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 -1.19 3.00 0.06 0.00 0.00 -1.26 -4.80 120.51 116.32 1s6l n ALA 119 Ca 0.10 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.57 1s6l n ALA 119 Cb 0.11 0.42 -0.05 0.00 0.00 0.00 0.00 19.45 19.94 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 0.40 0.00 0.00 2.02 -1.95 -3.48 112.91 109.90 1s6l h THR 120 Ca 0.00 -1.76 0.00 0.00 0.77 0.00 0.00 66.41 65.42 1s6l h THR 120 Cb 0.82 1.94 0.00 0.00 -1.74 0.00 0.00 68.15 69.17 1s6l h THR 120 CO 0.00 0.23 0.00 0.61 0.37 0.00 0.00 175.52 176.73 1s6l n GLY 121 N 1.32 0.57 3.67 2.16 0.00 0.30 -4.92 105.19 108.29 1s6l n GLY 121 Ca -0.06 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.59 1s6l n GLY 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s6l n ALA 122 N 1.00 0.45 -2.63 4.61 0.00 -1.26 -4.33 120.51 118.35 1s6l n ALA 122 Ca 0.00 -0.07 -0.43 0.00 0.00 0.00 0.00 53.44 52.94 1s6l n ALA 122 Cb 0.06 -2.21 -0.04 0.00 0.00 0.00 0.00 19.45 17.26 1s6l n ALA 122 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1s6l s PRO 123 N -3.25 3.38 -0.01 0.00 0.05 -1.26 -1.24 135.00 132.66 1s6l s PRO 123 Ca 0.78 -0.12 -0.01 0.00 0.05 0.00 0.00 61.00 61.70 1s6l s PRO 123 Cb -0.37 -4.04 -0.04 0.00 0.05 0.00 0.00 34.50 30.09 1s6l s PRO 123 CO 0.45 -1.55 0.11 0.14 0.05 0.00 0.00 177.00 176.20 1s6l s VAL 124 N 4.24 4.91 -0.13 -0.36 -7.23 0.32 -4.52 120.40 117.63 1s6l s VAL 124 Ca 0.34 -0.34 -0.15 0.00 -1.81 0.00 0.00 61.98 60.02 1s6l s VAL 124 Cb -0.11 -3.25 0.04 0.00 0.56 0.00 0.00 36.38 33.61 1s6l s VAL 124 CO 0.21 0.35 0.41 -0.94 -0.31 0.00 0.00 175.10 174.82 1s6l s SER 125 N -1.77 -0.41 0.07 4.85 1.04 0.28 0.22 113.70 117.97 1s6l s SER 125 Ca 0.24 0.73 0.03 0.00 0.48 0.00 0.00 55.95 57.42 1s6l s SER 125 Cb -0.12 0.76 -0.03 0.00 0.10 0.00 0.00 66.02 66.73 1s6l s SER 125 CO 0.15 -0.20 -0.09 -0.76 0.98 0.00 0.00 173.24 173.32 1s6l s LEU 126 N -0.03 2.34 -0.29 2.42 2.01 0.33 -0.49 118.68 124.96 1s6l s LEU 126 Ca -0.02 -0.69 -0.05 0.00 0.01 0.00 0.00 54.13 53.38 1s6l s LEU 126 Cb -0.03 -0.21 0.03 0.00 0.01 0.00 0.00 46.19 45.98 1s6l s LEU 126 CO 0.01 -0.25 0.03 -0.89 1.01 0.00 0.00 176.35 176.27 1s6l s THR 127 N -2.00 3.50 -0.40 5.49 2.01 -0.75 0.12 115.64 123.61 1s6l s THR 127 Ca -0.02 -0.97 -0.17 0.00 0.31 0.00 0.00 61.69 60.84 1s6l s THR 127 Cb -0.06 -2.86 0.01 0.00 0.01 0.00 0.00 72.50 69.61 1s6l s THR 127 CO -0.00 0.04 0.46 -0.69 -0.69 0.00 0.00 174.62 173.73 1s6l s VAL 128 N 1.40 5.06 0.51 3.82 1.01 0.39 -2.68 120.40 129.92 1s6l s VAL 128 Ca -0.00 -0.13 0.08 0.00 0.00 0.00 0.00 61.98 61.93 1s6l s VAL 128 Cb -0.18 -4.00 0.04 0.00 0.00 0.00 0.00 36.38 32.23 1s6l s VAL 128 CO 0.00 -0.35 0.53 -0.44 0.00 0.00 0.00 175.10 174.84 1s6l s SER 129 N 1.81 4.97 0.31 3.32 0.01 0.12 0.16 113.70 124.40 1s6l s SER 129 Ca 0.14 -0.92 0.25 0.00 1.31 0.00 0.00 55.95 56.73 1s6l s SER 129 Cb -0.16 0.03 1.06 0.00 0.21 0.00 0.00 66.02 67.16 1s6l s SER 129 CO 0.14 -1.03 1.76 -0.65 0.41 0.00 0.00 173.24 173.87 1s6l h PRO 130 N 0.63 0.00 0.00 12.44 0.11 -1.72 -3.28 132.00 140.18 1s6l h PRO 130 Ca -0.36 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.75 1s6l h PRO 130 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 1s6l h PRO 130 CO 0.51 0.00 -0.99 0.43 -0.21 0.00 0.00 178.00 177.74 1s6l n SER 131 N -2.39 4.97 0.00 -2.05 7.64 -1.26 -4.65 113.62 115.88 1s6l n SER 131 Ca 0.02 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.90 1s6l n SER 131 Cb 0.24 0.69 0.00 0.00 -1.01 0.00 0.00 64.21 64.13 1s6l n SER 131 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 1s6l n GLU 132 N -1.79 -0.30 -3.51 1.43 0.28 -1.24 -5.17 120.64 110.35 1s6l n GLU 132 Ca 0.00 0.00 -0.22 0.00 -0.16 0.00 0.00 57.16 56.78 1s6l n GLU 132 Cb 0.30 0.00 -0.01 0.00 1.43 0.00 0.00 31.44 33.16 1s6l n GLU 132 CO 0.00 0.00 0.00 0.96 -0.16 0.00 0.00 177.13 177.93 1s6l s ILE 133 N -3.00 4.85 0.00 3.84 -4.36 -1.25 0.12 121.20 121.39 1s6l s ILE 133 Ca 0.00 -0.70 0.00 0.00 -0.26 0.00 0.00 60.65 59.69 1s6l s ILE 133 Cb 0.00 -3.74 0.00 0.00 1.25 0.00 0.00 42.46 39.97 1s6l s ILE 133 CO 0.00 -0.40 0.73 0.00 0.24 0.00 0.00 174.94 175.50 1s6l n GLN 134 N -1.70 0.00 -2.80 0.37 6.02 -1.09 -4.92 117.38 113.25 1s6l n GLN 134 Ca -0.04 -0.51 -0.00 0.00 -0.01 0.00 0.00 57.00 56.43 1s6l n GLN 134 Cb 0.57 -0.27 0.01 0.00 1.02 0.00 0.00 30.24 31.57 1s6l n GLN 134 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1s6l s ALA 135 N 0.00 -3.94 -0.27 -1.58 0.00 -1.26 -4.91 121.76 109.79 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 -0.02 0.00 0.00 0.00 0.00 23.12 20.16 1s6l s ALA 135 CO 0.00 -2.44 0.11 0.08 0.00 0.00 0.00 175.76 173.51 1s6l s VAL 136 N 1.57 4.49 -0.15 0.00 1.01 -1.26 -1.81 120.40 124.26 1s6l s VAL 136 Ca 0.19 -0.24 -0.04 0.00 0.00 0.00 0.00 61.98 61.88 1s6l s VAL 136 Cb 0.05 -3.18 0.07 0.00 0.00 0.00 0.00 36.38 33.32 1s6l s VAL 136 CO -0.12 0.23 0.24 -0.70 0.00 0.00 0.00 175.10 174.76 1s6l s GLU 137 N 1.62 0.15 0.48 2.72 2.12 0.35 -2.76 118.70 123.39 1s6l s GLU 137 Ca 0.06 0.58 -0.22 0.00 0.36 0.00 0.00 54.97 55.75 1s6l s GLU 137 Cb -0.16 -0.37 -0.07 0.00 0.26 0.00 0.00 34.13 33.79 1s6l s GLU 137 CO 0.05 -0.39 1.16 -2.14 -0.54 0.00 0.00 175.26 173.40 1s6l s PRO 138 N 2.39 3.67 0.44 4.30 0.02 -1.26 1.00 135.00 145.56 1s6l s PRO 138 Ca 0.03 1.76 0.18 0.00 0.02 0.00 0.00 61.00 63.00 1s6l s PRO 138 Cb -0.13 -2.34 1.13 0.00 0.02 0.00 0.00 34.50 33.18 1s6l s PRO 138 CO -0.09 -0.62 1.90 0.00 -0.33 0.00 0.00 177.00 177.85 1s6l h ALA 139 N 1.89 2.24 -0.91 -1.55 0.00 -1.87 0.36 119.26 119.42 1s6l h ALA 139 Ca -0.49 0.00 -0.44 0.00 0.00 0.00 0.00 54.91 53.98 1s6l h ALA 139 Cb 1.25 -0.03 -0.26 0.00 0.00 0.00 0.00 17.79 18.75 1s6l h ALA 139 CO 0.60 -0.48 0.56 0.41 0.00 0.00 0.00 179.25 180.34 1s6l n GLY 140 N -1.55 4.22 3.73 0.00 0.00 -1.26 -5.00 105.19 105.33 1s6l n GLY 140 Ca 0.16 -1.02 -0.33 0.00 0.00 0.00 0.00 46.02 44.84 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 -3.08 2.07 0.10 1.61 0.00 0.11 -3.83 119.30 116.29 1s6l s MET 141 Ca 0.54 1.53 0.06 0.00 0.00 0.00 0.00 55.69 57.82 1s6l s MET 141 Cb 0.45 -1.85 -0.03 0.00 0.00 0.00 0.00 34.83 33.40 1s6l s MET 141 CO 0.11 -1.84 -0.16 0.00 0.00 0.00 0.00 175.02 173.13 1s6l s ALA 142 N -2.36 1.48 0.11 3.16 0.00 0.33 -3.92 121.76 120.57 1s6l s ALA 142 Ca 0.69 -1.20 0.07 0.00 0.00 0.00 0.00 51.96 51.52 1s6l s ALA 142 Cb -0.24 -0.12 -0.04 0.00 0.00 0.00 0.00 23.12 22.72 1s6l s ALA 142 CO 0.49 0.18 -0.08 0.08 0.00 0.00 0.00 175.76 176.43 1s6l s VAL 143 N -1.67 3.44 -0.02 0.00 1.01 0.47 0.22 120.40 123.85 1s6l s VAL 143 Ca 0.05 -1.29 0.08 0.00 0.00 0.00 0.00 61.98 60.83 1s6l s VAL 143 Cb -0.08 -2.63 -0.02 0.00 0.00 0.00 0.00 36.38 33.65 1s6l s VAL 143 CO 0.03 0.08 -0.26 -0.94 0.00 0.00 0.00 175.10 174.01 1s6l s SER 144 N -2.33 3.08 0.30 3.32 1.04 0.37 0.55 113.70 120.04 1s6l s SER 144 Ca 0.23 -0.47 0.05 0.00 0.48 0.00 0.00 55.95 56.23 1s6l s SER 144 Cb -0.11 -0.35 -0.03 0.00 0.10 0.00 0.00 66.02 65.63 1s6l s SER 144 CO 0.15 0.32 0.22 -0.76 0.98 0.00 0.00 173.24 174.14 1s6l s LEU 145 N -0.67 1.60 0.15 2.42 1.43 0.18 -2.28 118.68 121.52 1s6l s LEU 145 Ca 0.10 -1.64 0.08 0.00 -1.03 0.00 0.00 54.13 51.65 1s6l s LEU 145 Cb -0.10 0.44 -0.04 0.00 0.03 0.00 0.00 46.19 46.52 1s6l s LEU 145 CO -0.01 -0.98 -0.19 0.68 0.23 0.00 0.00 176.35 176.09 1s6l s VAL 146 N -3.64 1.80 -0.21 -1.59 -7.23 -1.25 0.64 120.40 108.94 1s6l s VAL 146 Ca 0.39 -1.86 -0.07 0.00 -1.81 0.00 0.00 61.98 58.63 1s6l s VAL 146 Cb 0.04 -1.80 0.03 0.00 0.56 0.00 0.00 36.38 35.21 1s6l s VAL 146 CO 0.22 -0.28 0.14 -0.11 -0.31 0.00 0.00 175.10 174.76 1s6l n LEU 147 N 0.42 -6.29 0.27 1.32 -0.00 -1.25 -4.12 117.00 107.34 1s6l n LEU 147 Ca -0.14 1.76 0.18 0.00 -0.00 0.00 0.00 56.01 57.81 1s6l n LEU 147 Cb 0.56 -3.05 0.75 0.00 -0.00 0.00 0.00 43.42 41.69 1s6l n LEU 147 CO 0.28 -3.32 1.01 1.55 -0.00 0.00 0.00 177.39 176.91 1s6l h PRO 148 N 3.27 0.00 -6.62 1.96 0.13 -1.91 -3.45 132.00 125.38 1s6l h PRO 148 Ca -0.32 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.23 1s6l h PRO 148 Cb 0.72 0.00 0.10 0.00 0.13 0.00 0.00 31.00 31.95 1s6l h PRO 148 CO 0.04 0.00 0.46 1.04 -0.23 0.00 0.00 178.00 179.31 1s6l n GLN 149 N -2.99 1.90 0.27 0.86 1.13 -1.26 -4.86 117.38 112.44 1s6l n GLN 149 Ca 0.00 0.67 0.13 0.00 -1.94 0.00 0.00 57.00 55.86 1s6l n GLN 149 Cb 0.25 -2.24 0.77 0.00 0.11 0.00 0.00 30.24 29.14 1s6l n GLN 149 CO 0.00 0.00 0.00 0.93 -1.44 0.00 0.00 177.06 176.55 1s6l h GLU 150 N 3.08 0.00 0.00 -1.09 3.07 -2.01 -3.07 114.58 114.55 1s6l h GLU 150 Ca -0.44 0.00 -0.16 0.00 -0.50 0.00 0.00 59.36 58.26 1s6l h GLU 150 Cb 1.29 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 29.17 1s6l h GLU 150 CO 0.67 0.09 -1.65 0.00 -1.40 0.00 0.00 179.01 176.72 1s6l n ALA 151 N -2.30 1.82 -2.40 3.43 0.00 -1.26 -5.00 120.51 114.79 1s6l n ALA 151 Ca -0.02 -0.60 -0.12 0.00 0.00 0.00 0.00 53.44 52.69 1s6l n ALA 151 Cb 0.19 0.01 -0.01 0.00 0.00 0.00 0.00 19.45 19.64 1s6l n ALA 151 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1s6l n ALA 152 N -2.31 -0.75 -1.23 0.00 0.00 -1.16 -4.61 120.51 110.44 1s6l n ALA 152 Ca -0.15 0.10 0.10 0.00 0.00 0.00 0.00 53.44 53.50 1s6l n ALA 152 Cb 0.77 -1.50 -0.02 0.00 0.00 0.00 0.00 19.45 18.70 1s6l n ALA 152 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1s6l n ASP 153 N -1.75 -7.31 -3.76 0.00 8.00 -1.26 -4.36 116.55 106.11 1s6l n ASP 153 Ca -0.15 0.79 -0.36 0.00 0.71 0.00 0.00 54.79 55.79 1s6l n ASP 153 Cb 0.60 -2.22 -0.03 0.00 -0.02 0.00 0.00 41.12 39.45 1s6l n ASP 153 CO 0.00 0.00 0.00 0.55 -0.39 0.00 0.00 177.20 177.36 1s6l n VAL 154 N -3.13 3.89 -2.07 2.53 3.14 -1.26 -4.59 118.33 116.83 1s6l n VAL 154 Ca 0.00 -5.57 -0.01 0.00 -2.96 0.00 0.00 64.34 55.80 1s6l n VAL 154 Cb 0.33 -2.11 -0.02 0.00 -1.06 0.00 0.00 33.84 30.99 1s6l n VAL 154 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 1s6l n ARG 155 N 1.19 0.00 -2.88 1.45 1.74 -1.26 -5.08 116.66 111.82 1s6l n ARG 155 Ca 0.27 -0.76 -0.02 0.00 -0.77 0.00 0.00 57.85 56.57 1s6l n ARG 155 Cb 0.37 0.05 0.00 0.00 -1.02 0.00 0.00 32.46 31.86 1s6l n ARG 155 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1s6l n GLN 156 N 0.07 -2.57 -3.24 5.56 6.02 -1.26 -4.99 117.38 116.97 1s6l n GLN 156 Ca -0.07 2.20 -0.24 0.00 -0.01 0.00 0.00 57.00 58.87 1s6l n GLN 156 Cb 0.69 -4.23 -0.07 0.00 1.02 0.00 0.00 30.24 27.65 1s6l n GLN 156 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 1s6l n SER 157 N 0.72 1.42 0.11 1.08 3.41 -1.26 -4.71 113.62 114.39 1s6l n SER 157 Ca 0.01 -2.98 0.00 0.00 -0.26 0.00 0.00 58.87 55.64 1s6l n SER 157 Cb 0.19 -0.64 0.00 0.00 -0.26 0.00 0.00 64.21 63.50 1s6l n SER 157 CO 0.00 0.00 0.00 2.22 -0.16 0.00 0.00 175.04 177.10 1s6l n PHE 158 N 1.05 -3.44 0.54 7.33 -1.74 -1.26 -4.08 117.46 115.85 1s6l n PHE 158 Ca 0.24 0.78 0.13 0.00 -0.56 0.00 0.00 57.45 58.04 1s6l n PHE 158 Cb 0.51 2.16 0.32 0.00 1.52 0.00 0.00 39.48 43.99 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 -4.51 -1.93 -3.75 0.00 -0.00 -1.25 -5.06 115.22 98.73 1s6l n HIS 161 Ca 0.24 -2.63 -0.37 0.00 -0.00 0.00 0.00 57.72 54.96 1s6l n HIS 161 Cb 0.91 0.80 -0.12 0.00 -0.00 0.00 0.00 29.99 31.58 1s6l n HIS 161 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.34 176.88 1s6l s VAL 162 N -0.40 3.99 0.33 3.57 0.11 -1.22 -4.41 120.40 122.38 1s6l s VAL 162 Ca 0.31 -0.70 0.05 0.00 -2.93 0.00 0.00 61.98 58.71 1s6l s VAL 162 Cb 0.25 -3.07 -0.06 0.00 -1.53 0.00 0.00 36.38 31.97 1s6l s VAL 162 CO -0.14 0.06 0.04 -1.00 -3.33 0.00 0.00 175.10 170.73 1s6l s HIS 163 N 1.50 2.03 0.11 1.54 3.76 -0.96 -0.77 115.29 122.50 1s6l s HIS 163 Ca 0.02 -0.89 0.04 0.00 -0.15 0.00 0.00 55.06 54.09 1s6l s HIS 163 Cb -0.17 -1.32 -0.04 0.00 1.11 0.00 0.00 32.58 32.16 1s6l s HIS 163 CO 0.03 0.10 0.08 -0.06 -0.85 0.00 0.00 174.74 174.04 1s6l s PHE 164 N -3.19 3.14 -0.03 1.40 0.08 -1.26 0.14 117.98 118.26 1s6l s PHE 164 Ca 0.35 0.03 0.03 0.00 0.12 0.00 0.00 56.93 57.46 1s6l s PHE 164 Cb 0.08 -1.57 0.00 0.00 -0.57 0.00 0.00 43.02 40.97 1s6l s PHE 164 CO 0.15 0.52 -0.11 -0.06 -0.10 0.00 0.00 175.22 175.62 1s6l s PHE 165 N -1.50 1.08 0.59 0.36 0.40 0.59 -3.39 117.98 116.11 1s6l s PHE 165 Ca 0.29 -0.27 0.32 0.00 -0.60 0.00 0.00 56.93 56.67 1s6l s PHE 165 Cb -0.11 -0.75 1.22 0.00 0.51 0.00 0.00 43.02 43.89 1s6l s PHE 165 CO 0.22 -0.10 1.51 0.00 0.70 0.00 0.00 175.22 177.55 1s6l h ALA 166 N 6.29 2.95 -2.20 5.36 0.00 -1.90 0.95 119.26 130.71 1s6l h ALA 166 Ca -0.33 -0.04 0.21 0.00 0.00 0.00 0.00 54.91 54.75 1s6l h ALA 166 Cb 1.17 0.08 -0.08 0.00 0.00 0.00 0.00 17.79 18.97 1s6l h ALA 166 CO 0.49 -1.61 0.60 -1.54 0.00 0.00 0.00 179.25 177.18 1s6l s SER 167 N -4.03 -0.10 0.26 0.00 1.04 -1.26 -3.42 113.70 106.20 1s6l s SER 167 Ca -0.04 -0.42 0.03 0.00 0.48 0.00 0.00 55.95 56.00 1s6l s SER 167 Cb 0.17 0.41 0.35 0.00 0.10 0.00 0.00 66.02 67.06 1s6l s SER 167 CO 0.58 -0.78 1.66 0.58 0.98 0.00 0.00 173.24 176.25 1s6l h VAL 168 N 2.00 1.30 -0.15 5.02 2.07 -1.84 0.77 116.25 125.42 1s6l h VAL 168 Ca -0.26 -1.52 -0.19 0.00 0.82 0.00 0.00 66.70 65.55 1s6l h VAL 168 Cb 1.22 1.60 0.00 0.00 -1.52 0.00 0.00 31.29 32.59 1s6l h VAL 168 CO 0.29 0.47 -0.69 -0.65 0.02 0.00 0.00 177.57 177.01 1s6l h PRO 169 N 0.33 0.61 0.04 1.57 0.11 -1.95 0.92 132.00 133.64 1s6l h PRO 169 Ca 0.03 -0.46 -0.27 0.00 0.11 0.00 0.00 66.00 65.41 1s6l h PRO 169 Cb 0.84 0.08 0.02 0.00 0.11 0.00 0.00 31.00 32.06 1s6l h PRO 169 CO 0.07 1.08 -1.08 1.15 -0.21 0.00 0.00 178.00 179.02 1s6l h THR 170 N 0.43 1.29 -0.39 -1.15 2.02 -1.93 5.05 112.91 118.23 1s6l h THR 170 Ca -0.03 -2.31 -0.01 0.00 0.77 0.00 0.00 66.41 64.84 1s6l h THR 170 Cb 1.28 2.51 -0.02 0.00 -1.74 0.00 0.00 68.15 70.18 1s6l h THR 170 CO 0.13 0.71 0.20 0.00 0.37 0.00 0.00 175.52 176.93 1s6l h ALA 171 N 0.35 0.50 0.00 6.16 0.00 0.62 1.00 119.26 127.89 1s6l h ALA 171 Ca -0.15 -0.09 -0.15 0.00 0.00 0.00 0.00 54.91 54.52 1s6l h ALA 171 Cb 1.74 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 19.36 1s6l h ALA 171 CO 0.21 0.05 -0.72 0.93 0.00 0.00 0.00 179.25 179.72 1s6l h GLU 172 N 0.49 0.00 0.28 0.00 5.08 0.95 0.14 114.58 121.53 1s6l h GLU 172 Ca 0.14 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.48 1s6l h GLU 172 Cb 0.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.34 1s6l h GLU 172 CO -0.02 0.72 -0.13 0.22 -1.00 0.00 0.00 179.01 178.79 1s6l h ASP 173 N 0.00 -0.32 0.29 1.42 3.58 1.09 -0.40 116.42 122.09 1s6l h ASP 173 Ca -0.01 -0.21 -0.04 0.00 0.42 0.00 0.00 57.03 57.19 1s6l h ASP 173 Cb 1.50 0.08 -0.01 0.00 1.72 0.00 0.00 39.33 42.62 1s6l h ASP 173 CO 0.09 0.15 -0.21 -0.25 -2.88 0.00 0.00 179.24 176.15 1s6l h TRP 174 N -0.91 0.00 -0.73 0.28 -0.00 0.91 -1.78 115.95 113.72 1s6l h TRP 174 Ca -0.04 0.00 -0.05 0.00 -0.00 0.00 0.00 58.89 58.80 1s6l h TRP 174 Cb 0.51 0.00 -0.03 0.00 -0.00 0.00 0.00 29.16 29.63 1s6l h TRP 174 CO 0.05 0.21 0.26 0.00 -0.00 0.00 0.00 178.44 178.96 1s6l h ALA 175 N 1.79 0.95 -0.79 2.65 0.00 -0.84 -2.20 119.26 120.82 1s6l h ALA 175 Ca -0.00 -0.20 0.14 0.00 0.00 0.00 0.00 54.91 54.85 1s6l h ALA 175 Cb 0.41 -0.28 -0.09 0.00 0.00 0.00 0.00 17.79 17.82 1s6l h ALA 175 CO 0.03 0.60 0.36 0.66 0.00 0.00 0.00 179.25 180.90 1s6l h SER 176 N 1.06 0.39 -0.46 0.00 4.64 -0.14 0.40 113.55 119.44 1s6l h SER 176 Ca 0.24 0.10 -0.04 0.00 -0.47 0.00 0.00 61.79 61.62 1s6l h SER 176 Cb 0.25 0.05 -0.02 0.00 -0.31 0.00 0.00 62.40 62.37 1s6l h SER 176 CO -0.01 0.16 0.05 1.17 -0.87 0.00 0.00 176.83 177.32 1s6l n LYS 177 N -4.94 3.72 -0.69 4.77 3.00 -0.99 -3.91 118.16 119.12 1s6l n LYS 177 Ca 0.15 -2.34 0.06 0.00 -0.00 0.00 0.00 58.31 56.18 1s6l n LYS 177 Cb 0.42 -2.06 0.14 0.00 0.00 0.00 0.00 35.03 33.53 1s6l n LYS 177 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 1s6l n HIS 178 N 0.35 0.00 -2.91 5.64 8.25 0.14 -5.06 115.22 121.62 1s6l n HIS 178 Ca 0.23 -1.07 -0.18 0.00 -0.26 0.00 0.00 57.72 56.43 1s6l n HIS 178 Cb 1.00 -0.19 0.07 0.00 1.12 0.00 0.00 29.99 31.99 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 -0.74 0.45 0.00 -0.41 6.02 -1.16 -4.61 117.38 116.94 1s6l n GLN 179 Ca 0.14 -2.72 0.00 0.00 -0.01 0.00 0.00 57.00 54.41 1s6l n GLN 179 Cb 0.78 -0.32 0.00 0.00 1.02 0.00 0.00 30.24 31.72 1s6l n GLN 179 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1s6l n GLY 180 N -1.54 3.00 1.66 1.08 0.00 -1.26 -5.04 105.19 103.09 1s6l n GLY 180 Ca 0.15 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.02 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 -2.15 0.99 4.77 -1.26 -4.91 117.00 114.44 1s6l n LEU 181 Ca 0.00 -0.50 -0.25 0.00 -0.03 0.00 0.00 56.01 55.23 1s6l n LEU 181 Cb 0.00 -0.50 0.13 0.00 -2.33 0.00 0.00 43.42 40.72 1s6l n LEU 181 CO 0.00 -1.95 1.28 -0.62 -1.33 0.00 0.00 177.39 174.77 1s6l n GLU 182 N -3.63 2.26 0.00 3.23 4.71 -1.26 -4.88 120.64 121.06 1s6l n GLU 182 Ca 0.07 -2.79 0.00 0.00 -0.01 0.00 0.00 57.16 54.44 1s6l n GLU 182 Cb 0.30 -2.09 0.00 0.00 -1.01 0.00 0.00 31.44 28.64 1s6l n GLU 182 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1s6l n GLY 183 N -0.87 3.71 3.21 0.62 0.00 -1.26 -4.55 105.19 106.04 1s6l n GLY 183 Ca 0.55 -0.39 0.04 0.00 0.00 0.00 0.00 46.02 46.21 1s6l n GLY 183 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1s6l s LEU 184 N 0.00 -0.21 0.01 0.99 0.20 -1.26 -3.96 118.68 114.46 1s6l s LEU 184 Ca 0.00 0.23 -0.03 0.00 0.69 0.00 0.00 54.13 55.02 1s6l s LEU 184 Cb 0.00 1.21 -0.01 0.00 -0.43 0.00 0.00 46.19 46.96 1s6l s LEU 184 CO 0.00 -0.04 0.03 0.00 -0.29 0.00 0.00 176.35 176.05 1s6l s ALA 185 N 2.42 -0.04 0.24 5.97 0.00 0.21 -4.86 121.76 125.69 1s6l s ALA 185 Ca -0.02 -0.42 0.05 0.00 0.00 0.00 0.00 51.96 51.57 1s6l s ALA 185 Cb -0.04 0.13 -0.03 0.00 0.00 0.00 0.00 23.12 23.18 1s6l s ALA 185 CO -0.14 -0.17 0.36 0.42 0.00 0.00 0.00 175.76 176.23 1s6l s ILE 186 N -1.40 5.26 -0.10 0.00 -1.09 -1.26 0.48 121.20 123.08 1s6l s ILE 186 Ca -0.15 -0.94 -0.30 0.00 -2.23 0.00 0.00 60.65 57.03 1s6l s ILE 186 Cb -0.09 -3.85 0.07 0.00 -1.58 0.00 0.00 42.46 37.01 1s6l s ILE 186 CO -0.00 -0.32 0.69 0.68 -1.23 0.00 0.00 174.94 174.76 1s6l s VAL 187 N -1.97 0.00 -0.10 2.92 -7.23 0.19 -4.91 120.40 109.30 1s6l s VAL 187 Ca 0.34 0.00 -0.30 0.00 -1.81 0.00 0.00 61.98 60.22 1s6l s VAL 187 Cb -0.09 -1.00 -0.02 0.00 0.56 0.00 0.00 36.38 35.83 1s6l s VAL 187 CO 0.29 0.00 1.12 -0.44 -0.31 0.00 0.00 175.10 175.77 1s6l s SER 188 N -0.85 7.12 0.66 4.85 0.01 -1.26 0.18 113.70 124.40 1s6l s SER 188 Ca -0.09 1.67 0.17 0.00 1.31 0.00 0.00 55.95 59.02 1s6l s SER 188 Cb -0.01 -2.55 0.90 0.00 0.21 0.00 0.00 66.02 64.56 1s6l s SER 188 CO 0.08 -0.56 1.50 1.62 0.41 0.00 0.00 173.24 176.29 1s6l h VAL 189 N 5.11 0.02 -0.40 3.43 3.04 -1.89 1.93 116.25 127.50 1s6l h VAL 189 Ca -0.31 0.00 -0.15 0.00 -1.01 0.00 0.00 66.70 65.23 1s6l h VAL 189 Cb 1.14 0.35 -0.01 0.00 -2.01 0.00 0.00 31.29 30.76 1s6l h VAL 189 CO 0.89 0.00 -0.35 0.45 -1.01 0.00 0.00 177.57 177.55 1s6l h HIS 190 N 0.00 1.10 0.00 3.17 3.86 -1.89 -2.57 115.15 118.82 1s6l h HIS 190 Ca 0.04 -0.31 -0.19 0.00 -1.16 0.00 0.00 60.37 58.75 1s6l h HIS 190 Cb 1.39 -0.24 -0.03 0.00 1.06 0.00 0.00 27.41 29.59 1s6l h HIS 190 CO 0.00 1.13 -1.02 0.93 0.86 0.00 0.00 177.93 179.83 1s6l h GLU 191 N 0.77 0.00 0.00 2.45 5.08 0.25 -3.25 114.58 119.87 1s6l h GLU 191 Ca 0.07 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.41 1s6l h GLU 191 Cb 0.93 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.18 1s6l h GLU 191 CO 0.09 0.73 -0.09 0.00 -1.00 0.00 0.00 179.01 178.75 1s6l h ALA 192 N 1.16 1.33 0.00 3.43 0.00 -0.42 -1.07 119.26 123.69 1s6l h ALA 192 Ca -0.06 -0.08 -0.10 0.00 0.00 0.00 0.00 54.91 54.66 1s6l h ALA 192 Cb 1.69 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.46 1s6l h ALA 192 CO 0.10 0.11 -0.57 0.74 0.00 0.00 0.00 179.25 179.63 1s6l h PHE 193 N 0.00 0.00 0.01 0.00 -1.00 -1.50 -1.31 116.94 113.14 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 0.25 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 39.78 1s6l h PHE 193 CO 0.00 0.47 -1.19 0.78 -1.61 0.00 0.00 178.31 176.76 1s6l h GLY 194 N 3.56 0.02 1.78 -1.45 0.00 -1.34 0.32 103.07 105.96 1s6l h GLY 194 Ca -0.02 -0.04 -0.19 0.00 0.00 0.00 0.00 47.33 47.08 1s6l h GLY 194 CO 0.06 0.04 -1.01 -2.00 0.00 0.00 0.00 176.54 173.63 1s6l h LEU 195 N 0.00 0.00 0.00 3.11 6.46 -1.32 -1.30 115.31 122.26 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 1.84 0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 41.74 1s6l h LEU 195 CO 0.12 0.85 -1.17 1.23 -0.62 0.00 0.00 178.44 178.85 1s6l h GLY 196 N 3.25 0.00 1.78 3.75 0.00 -1.25 -3.27 103.07 107.32 1s6l h GLY 196 Ca -0.06 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.14 1s6l h GLY 196 CO 0.10 0.00 -0.76 -1.61 0.00 0.00 0.00 176.54 174.27 1s6l h GLN 197 N 0.00 0.00 0.00 4.80 4.15 -0.36 -3.25 115.11 120.44 1s6l h GLN 197 Ca -0.11 0.00 -0.05 0.00 0.77 0.00 0.00 58.65 59.26 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 0.52 -0.23 0.93 -1.93 0.00 0.00 178.83 178.20 1s6l h GLU 198 N 0.00 0.00 -0.74 1.69 5.08 -1.32 -2.99 114.58 116.30 1s6l h GLU 198 Ca -0.04 0.00 0.08 0.00 -1.00 0.00 0.00 59.36 58.40 1s6l h GLU 198 Cb 1.48 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.67 1s6l h GLU 198 CO 0.07 0.23 0.41 0.35 -1.00 0.00 0.00 179.01 179.07 1s6l h PHE 199 N 0.00 0.75 0.00 4.33 3.57 -1.61 0.32 116.94 124.31 1s6l h PHE 199 Ca -0.00 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.50 1s6l h PHE 199 Cb 0.87 -0.23 -0.00 0.00 2.79 0.00 0.00 35.95 39.38 1s6l h PHE 199 CO 0.00 0.33 -0.13 -0.97 -2.23 0.00 0.00 178.31 175.31 1s6l h ASN 200 N 0.73 0.00 -0.31 0.41 -1.24 -1.75 -3.29 115.58 110.13 1s6l h ASN 200 Ca 0.35 -0.94 0.09 0.00 0.71 0.00 0.00 56.30 56.50 1s6l h ASN 200 Cb 0.28 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.32 1s6l h ASN 200 CO -0.22 1.05 0.24 0.03 -1.29 0.00 0.00 177.43 177.24 1s6l h ARG 201 N -1.00 0.00 -0.09 6.67 2.47 -1.42 0.78 114.38 121.79 1s6l h ARG 201 Ca -0.04 0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 58.67 1s6l h ARG 201 Cb 1.02 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 29.34 1s6l h ARG 201 CO -0.02 0.00 -0.00 0.45 0.56 0.00 0.00 179.97 180.96 1s6l h HIS 202 N 0.00 0.18 0.17 3.04 3.86 -0.45 0.81 115.15 122.76 1s6l h HIS 202 Ca 0.15 -0.03 -0.26 0.00 -1.16 0.00 0.00 60.37 59.06 1s6l h HIS 202 Cb 0.63 -0.05 0.02 0.00 1.06 0.00 0.00 27.41 29.07 1s6l h HIS 202 CO 0.00 0.43 -1.24 -0.07 0.86 0.00 0.00 177.93 177.91 1s6l h LEU 203 N -0.12 0.56 0.05 2.43 -0.00 -1.41 -3.38 115.31 113.44 1s6l h LEU 203 Ca 0.03 -0.92 -0.00 0.00 -0.00 0.00 0.00 57.88 56.98 1s6l h LEU 203 Cb 0.36 -0.18 0.00 0.00 -0.00 0.00 0.00 40.66 40.84 1s6l h LEU 203 CO 0.01 1.57 -0.03 -0.07 -0.00 0.00 0.00 178.44 179.92 1s6l h LEU 204 N -0.18 -0.06 0.00 1.67 -0.00 0.46 -3.50 115.31 113.71 1s6l h LEU 204 Ca -0.23 -0.59 0.00 0.00 -0.00 0.00 0.00 57.88 57.06 1s6l h LEU 204 Cb 1.85 0.02 0.00 0.00 -0.00 0.00 0.00 40.66 42.53 1s6l h LEU 204 CO 0.16 0.62 0.00 0.00 -0.00 0.00 0.00 178.44 179.22 1s6l n GLN 205 N -4.79 0.00 -1.76 1.13 6.02 0.28 -4.74 117.38 113.51 1s6l n GLN 205 Ca -0.08 0.00 -0.38 0.00 -0.01 0.00 0.00 57.00 56.53 1s6l n GLN 205 Cb 0.32 0.00 0.05 0.00 1.02 0.00 0.00 30.24 31.63 1s6l n GLN 205 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.06 175.97 1s6l s THR 206 N 0.00 2.05 0.30 5.09 -1.32 -1.26 -4.96 115.64 115.53 1s6l s THR 206 Ca 0.00 0.03 0.02 0.00 -1.21 0.00 0.00 61.69 60.53 1s6l s THR 206 Cb 0.00 -3.02 0.02 0.00 -1.51 0.00 0.00 72.50 67.99 1s6l s THR 206 CO 0.00 -0.00 0.15 1.15 -2.21 0.00 0.00 174.62 173.71 1s6l n MET 207 N -1.31 1.13 -4.58 7.08 0.00 -1.26 -5.16 117.12 113.01 1s6l n MET 207 Ca 0.12 -1.97 -0.27 0.00 0.00 0.00 0.00 57.70 55.58 1s6l n MET 207 Cb 0.46 0.32 -0.09 0.00 0.00 0.00 0.00 33.22 33.91 1s6l n MET 207 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 175.97 174.85 1s6l s SER 208 N -2.72 3.18 -0.09 3.17 0.01 -1.26 -5.08 113.70 110.91 1s6l s SER 208 Ca 0.12 -1.58 0.05 0.00 1.31 0.00 0.00 55.95 55.85 1s6l s SER 208 Cb -0.01 0.30 -0.09 0.00 0.21 0.00 0.00 66.02 66.43 1s6l s SER 208 CO 0.07 -0.80 -0.02 -1.20 0.41 0.00 0.00 173.24 171.71 1s6l n SER 209 N -1.14 2.99 -2.22 2.44 7.64 -1.26 -5.12 113.62 116.96 1s6l n SER 209 Ca -0.09 -0.02 0.00 0.00 1.01 0.00 0.00 58.87 59.77 1s6l n SER 209 Cb 0.66 0.36 0.00 0.00 -1.01 0.00 0.00 64.21 64.22 1s6l n SER 209 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 1s6l n ARG 210 N -2.52 -5.14 0.27 1.43 3.00 -1.26 -4.94 116.66 107.51 1s6l n ARG 210 Ca -0.16 3.72 -0.11 0.00 -0.00 0.00 0.00 57.85 61.30 1s6l n ARG 210 Cb 0.75 -4.45 -0.05 0.00 0.00 0.00 0.00 32.46 28.70 1s6l n ARG 210 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.63 178.78 1s6l h THR 211 N 4.13 0.00 0.00 5.15 2.02 -2.08 -3.58 112.91 118.56 1s6l h THR 211 Ca 0.00 -0.21 0.00 0.00 0.77 0.00 0.00 66.41 66.97 1s6l h THR 211 Cb 0.00 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.41 1s6l h THR 211 CO 0.00 0.00 0.00 -0.81 0.37 0.00 0.00 175.52 175.08