#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 -9.25 -1.49 0.00 8.00 -1.26 -4.93 116.55 107.63 1s6l n ASP 22 Ca 0.00 1.71 0.16 0.00 0.71 0.00 0.00 54.79 57.36 1s6l n ASP 22 Cb 0.00 -5.07 -0.09 0.00 -0.02 0.00 0.00 41.12 35.95 1s6l n ASP 22 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1s6l n LEU 23 N 1.80 -1.15 -4.93 0.64 4.32 -1.26 -4.93 117.00 111.49 1s6l n LEU 23 Ca 0.00 2.54 -0.26 0.00 -0.02 0.00 0.00 56.01 58.27 1s6l n LEU 23 Cb 0.00 -3.11 -0.03 0.00 -1.62 0.00 0.00 43.42 38.65 1s6l n LEU 23 CO 0.00 -2.00 -0.11 -0.76 -1.22 0.00 0.00 177.39 173.30 1s6l s LEU 24 N -7.09 4.28 -0.37 2.23 1.43 -1.26 -5.01 118.68 112.88 1s6l s LEU 24 Ca 0.00 0.13 -0.31 0.00 -1.03 0.00 0.00 54.13 52.93 1s6l s LEU 24 Cb 0.00 -2.85 -0.09 0.00 0.03 0.00 0.00 46.19 43.28 1s6l s LEU 24 CO 0.00 0.05 2.28 0.52 0.23 0.00 0.00 176.35 179.43 1s6l n VAL 25 N -0.54 0.18 0.33 -1.59 0.31 -1.26 -4.80 118.33 110.95 1s6l n VAL 25 Ca -0.07 -0.43 0.22 0.00 -0.01 0.00 0.00 64.34 64.05 1s6l n VAL 25 Cb 0.54 -2.15 1.16 0.00 -0.91 0.00 0.00 33.84 32.48 1s6l n VAL 25 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 1s6l h PRO 26 N 14.83 0.00 0.36 5.55 0.11 -1.97 -2.64 132.00 148.24 1s6l h PRO 26 Ca -0.30 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.81 1s6l h PRO 26 Cb 1.28 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.36 1s6l h PRO 26 CO 1.05 0.00 -0.41 1.25 -0.21 0.00 0.00 178.00 179.68 1s6l h LEU 27 N 0.00 -1.12 0.00 2.35 6.46 -1.98 0.90 115.31 121.93 1s6l h LEU 27 Ca 0.00 0.10 -0.16 0.00 -0.12 0.00 0.00 57.88 57.70 1s6l h LEU 27 Cb 0.05 0.38 -0.02 0.00 -0.73 0.00 0.00 40.66 40.34 1s6l h LEU 27 CO 0.00 -0.54 -0.76 0.25 -0.62 0.00 0.00 178.44 176.77 1s6l h LEU 28 N -0.80 0.00 0.15 2.25 7.12 -1.94 -2.28 115.31 119.81 1s6l h LEU 28 Ca -0.03 0.00 -0.01 0.00 0.13 0.00 0.00 57.88 57.98 1s6l h LEU 28 Cb 0.73 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.86 1s6l h LEU 28 CO -0.09 0.74 -0.07 -0.09 -0.13 0.00 0.00 178.44 178.79 1s6l h ARG 29 N 0.00 -0.20 0.00 1.25 2.43 -1.29 -1.45 114.38 115.12 1s6l h ARG 29 Ca -0.01 0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.13 1s6l h ARG 29 Cb 1.57 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 31.16 1s6l h ARG 29 CO 0.09 0.23 -0.18 1.49 -1.51 0.00 0.00 179.97 180.10 1s6l h GLU 30 N -0.75 0.00 -0.01 0.20 4.57 0.73 -2.04 114.58 117.27 1s6l h GLU 30 Ca -0.02 0.00 -0.13 0.00 -1.18 0.00 0.00 59.36 58.03 1s6l h GLU 30 Cb 0.52 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.10 1s6l h GLU 30 CO 0.03 0.18 -0.60 1.25 -1.18 0.00 0.00 179.01 178.69 1s6l h LEU 31 N 0.00 0.05 -2.00 1.64 5.85 -1.29 -2.95 115.31 116.61 1s6l h LEU 31 Ca -0.00 -0.03 0.15 0.00 0.84 0.00 0.00 57.88 58.84 1s6l h LEU 31 Cb 0.46 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.46 1s6l h LEU 31 CO 0.02 0.64 0.45 0.00 -0.34 0.00 0.00 178.44 179.21 1s6l h ALA 32 N 1.36 2.35 0.00 1.25 0.00 -0.49 0.86 119.26 124.59 1s6l h ALA 32 Ca -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1s6l h ALA 32 Cb 1.07 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1s6l h ALA 32 CO 0.08 -0.71 0.00 0.87 0.00 0.00 0.00 179.25 179.49 1s6l h LYS 33 N 0.00 0.00 -5.38 0.00 1.79 -1.64 -3.46 116.57 107.88 1s6l h LYS 33 Ca 0.25 0.00 -0.32 0.00 -2.18 0.00 0.00 60.65 58.40 1s6l h LYS 33 Cb 1.14 0.00 0.15 0.00 -1.58 0.00 0.00 32.23 31.94 1s6l h LYS 33 CO -0.00 0.00 -0.69 0.41 -1.08 0.00 0.00 179.45 178.09 1s6l n GLY 34 N -0.56 -0.33 3.10 3.86 0.00 0.30 -5.03 105.19 106.54 1s6l n GLY 34 Ca -0.01 0.08 -0.19 0.00 0.00 0.00 0.00 46.02 45.90 1s6l n GLY 34 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1s6l s ARG 35 N -5.49 0.89 -0.86 1.61 6.06 -1.26 -5.06 118.95 114.84 1s6l s ARG 35 Ca 0.13 -0.62 -0.20 0.00 -2.50 0.00 0.00 55.73 52.54 1s6l s ARG 35 Cb -0.06 -0.86 -0.22 0.00 0.06 0.00 0.00 34.95 33.87 1s6l s ARG 35 CO 0.67 0.22 2.33 -2.30 -2.50 0.00 0.00 175.30 173.72 1s6l n PRO 36 N 2.20 0.35 -3.19 5.12 -0.02 -1.26 -4.87 135.00 133.33 1s6l n PRO 36 Ca -0.17 -0.44 -0.42 0.00 -2.02 0.00 0.00 63.50 60.45 1s6l n PRO 36 Cb 0.55 -2.56 -0.07 0.00 -0.02 0.00 0.00 33.50 31.40 1s6l n PRO 36 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1s6l s VAL 37 N 8.81 4.94 0.57 -1.45 1.01 -1.24 -4.99 120.40 128.05 1s6l s VAL 37 Ca 1.10 0.15 -0.05 0.00 0.00 0.00 0.00 61.98 63.18 1s6l s VAL 37 Cb -0.46 -4.09 0.12 0.00 0.00 0.00 0.00 36.38 31.96 1s6l s VAL 37 CO 0.30 -0.42 0.78 -1.54 0.00 0.00 0.00 175.10 174.22 1s6l n SER 38 N 5.96 0.53 0.06 3.32 3.41 -1.26 -2.17 113.62 123.46 1s6l n SER 38 Ca -0.04 -1.57 -0.15 0.00 -0.26 0.00 0.00 58.87 56.86 1s6l n SER 38 Cb 0.48 -0.55 -0.05 0.00 -0.26 0.00 0.00 64.21 63.83 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 0.48 0.00 4.33 0.11 -1.97 0.19 114.38 117.52 1s6l h ARG 39 Ca -0.25 -0.51 -0.05 0.00 0.10 0.00 0.00 59.98 59.27 1s6l h ARG 39 Cb 0.81 0.14 -0.01 0.00 1.11 0.00 0.00 29.97 32.03 1s6l h ARG 39 CO 0.22 1.15 -0.24 1.79 0.10 0.00 0.00 179.97 183.00 1s6l h THR 40 N 0.28 0.90 0.15 0.08 1.35 -1.95 1.51 112.91 115.22 1s6l h THR 40 Ca -0.09 -0.90 -0.29 0.00 -0.55 0.00 0.00 66.41 64.58 1s6l h THR 40 Cb 1.58 1.53 0.01 0.00 -1.73 0.00 0.00 68.15 69.53 1s6l h THR 40 CO 0.17 0.23 -1.46 0.74 -0.25 0.00 0.00 175.52 174.95 1s6l h THR 41 N 0.00 1.06 -0.56 6.82 2.02 -1.93 0.99 112.91 121.31 1s6l h THR 41 Ca -0.00 -2.46 -0.03 0.00 0.77 0.00 0.00 66.41 64.68 1s6l h THR 41 Cb 0.51 2.79 -0.03 0.00 -1.74 0.00 0.00 68.15 69.68 1s6l h THR 41 CO 0.03 0.76 0.21 0.25 0.37 0.00 0.00 175.52 177.13 1s6l h LEU 42 N -0.17 0.75 -0.15 2.58 6.46 -0.65 1.88 115.31 126.01 1s6l h LEU 42 Ca -0.30 -0.10 -0.14 0.00 -0.12 0.00 0.00 57.88 57.22 1s6l h LEU 42 Cb 1.87 -0.19 0.00 0.00 -0.73 0.00 0.00 40.66 41.61 1s6l h LEU 42 CO 0.11 0.69 -0.47 0.00 -0.62 0.00 0.00 178.44 178.15 1s6l h ALA 43 N 1.42 0.26 -0.08 1.25 0.00 0.21 0.17 119.26 122.49 1s6l h ALA 43 Ca 0.19 -0.49 -0.09 0.00 0.00 0.00 0.00 54.91 54.52 1s6l h ALA 43 Cb 0.19 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1s6l h ALA 43 CO -0.01 0.42 -0.38 0.78 0.00 0.00 0.00 179.25 180.06 1s6l h GLY 44 N 0.24 0.19 0.54 0.00 0.00 0.20 0.46 103.07 104.69 1s6l h GLY 44 Ca -0.02 -0.17 -0.12 0.00 0.00 0.00 0.00 47.33 47.03 1s6l h GLY 44 CO 0.10 0.15 -0.49 -2.22 0.00 0.00 0.00 176.54 174.08 1s6l h ILE 45 N 0.15 1.55 0.00 2.60 2.04 0.29 -3.16 117.51 120.99 1s6l h ILE 45 Ca 0.02 -2.26 0.00 0.00 1.00 0.00 0.00 64.86 63.62 1s6l h ILE 45 Cb 0.74 2.99 0.00 0.00 -0.74 0.00 0.00 36.82 39.82 1s6l h ILE 45 CO 0.06 0.63 0.00 0.18 0.00 0.00 0.00 178.15 179.01 1s6l n LEU 46 N -4.32 0.00 -1.71 1.44 4.32 0.60 -4.83 117.00 112.49 1s6l n LEU 46 Ca -0.11 0.48 -0.21 0.00 -0.02 0.00 0.00 56.01 56.14 1s6l n LEU 46 Cb 0.65 -0.48 -0.08 0.00 -1.62 0.00 0.00 43.42 41.90 1s6l n LEU 46 CO 0.43 -0.11 -0.21 -0.67 -1.22 0.00 0.00 177.39 175.62 1s6l n ASP 47 N -1.48 -5.56 -4.92 -1.43 2.03 0.13 -4.95 116.55 100.38 1s6l n ASP 47 Ca 0.06 0.42 -0.21 0.00 0.52 0.00 0.00 54.79 55.58 1s6l n ASP 47 Cb 0.26 -4.82 -0.03 0.00 -0.72 0.00 0.00 41.12 35.80 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 3.31 0.28 -0.67 0.52 0.41 -4.99 118.94 115.00 1s6l s TRP 48 Ca 0.00 -0.07 -0.29 0.00 0.02 0.00 0.00 56.10 55.76 1s6l s TRP 48 Cb 0.00 -1.55 -0.10 0.00 -1.15 0.00 0.00 33.47 30.68 1s6l s TRP 48 CO 0.00 0.43 1.20 -1.25 0.02 0.00 0.00 176.95 177.35 1s6l s PRO 49 N -3.95 4.50 0.66 4.98 0.04 -1.26 -4.40 135.00 135.57 1s6l s PRO 49 Ca 0.34 1.98 0.22 0.00 0.04 0.00 0.00 61.00 63.58 1s6l s PRO 49 Cb -0.09 -3.15 1.18 0.00 0.04 0.00 0.00 34.50 32.48 1s6l s PRO 49 CO 0.28 0.00 1.66 0.00 0.04 0.00 0.00 177.00 178.98 1s6l h ALA 50 N 3.95 1.56 0.04 8.56 0.00 -1.91 0.41 119.26 131.87 1s6l h ALA 50 Ca -0.47 -0.00 -0.22 0.00 0.00 0.00 0.00 54.91 54.22 1s6l h ALA 50 Cb 1.22 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 1s6l h ALA 50 CO 0.68 -0.54 -1.02 0.93 0.00 0.00 0.00 179.25 179.29 1s6l h GLU 51 N 0.00 0.14 -0.51 0.00 3.07 -1.97 -1.89 114.58 113.42 1s6l h GLU 51 Ca 0.01 -0.20 -0.11 0.00 -0.50 0.00 0.00 59.36 58.56 1s6l h GLU 51 Cb 1.07 0.07 -0.02 0.00 -0.84 0.00 0.00 28.75 29.03 1s6l h GLU 51 CO -0.00 1.04 -0.12 0.00 -1.40 0.00 0.00 179.01 178.53 1s6l h ARG 52 N 0.05 0.97 -0.18 2.33 2.47 -0.54 0.23 114.38 119.72 1s6l h ARG 52 Ca -0.06 -0.37 -0.01 0.00 -1.26 0.00 0.00 59.98 58.28 1s6l h ARG 52 Cb 1.73 -0.06 -0.01 0.00 -1.65 0.00 0.00 29.97 29.99 1s6l h ARG 52 CO 0.15 1.04 0.07 0.28 0.56 0.00 0.00 179.97 182.08 1s6l h VAL 53 N 0.83 1.15 -0.17 2.04 2.07 -1.52 0.14 116.25 120.79 1s6l h VAL 53 Ca 0.13 -0.45 0.05 0.00 0.82 0.00 0.00 66.70 67.25 1s6l h VAL 53 Cb 0.68 1.12 -0.06 0.00 -1.52 0.00 0.00 31.29 31.52 1s6l h VAL 53 CO 0.05 0.14 -0.19 0.00 0.02 0.00 0.00 177.57 177.59 1s6l h ALA 54 N 0.92 -0.10 -0.16 1.67 0.00 -1.01 0.71 119.26 121.29 1s6l h ALA 54 Ca 0.06 0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.05 1s6l h ALA 54 Cb 0.16 0.39 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 1s6l h ALA 54 CO -0.01 -0.63 0.05 0.00 0.00 0.00 0.00 179.25 178.66 1s6l h ALA 55 N 0.83 0.18 0.00 0.00 0.00 -0.31 -1.31 119.26 118.64 1s6l h ALA 55 Ca 0.11 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 1s6l h ALA 55 Cb 0.39 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1s6l h ALA 55 CO -0.30 -0.39 -0.23 -0.24 0.00 0.00 0.00 179.25 178.10 1s6l h VAL 56 N 0.13 0.84 -0.04 0.00 3.04 -0.19 -2.40 116.25 117.63 1s6l h VAL 56 Ca 0.07 -0.88 -0.14 0.00 -1.01 0.00 0.00 66.70 64.74 1s6l h VAL 56 Cb 0.05 1.52 -0.01 0.00 -2.01 0.00 0.00 31.29 30.84 1s6l h VAL 56 CO -0.08 0.22 -0.61 -0.07 -1.01 0.00 0.00 177.57 176.03 1s6l h LEU 57 N 0.00 0.17 -2.29 3.16 -0.00 0.12 -2.91 115.31 113.57 1s6l h LEU 57 Ca -0.00 -0.10 0.04 0.00 -0.00 0.00 0.00 57.88 57.81 1s6l h LEU 57 Cb 0.50 -0.05 -0.00 0.00 -0.00 0.00 0.00 40.66 41.11 1s6l h LEU 57 CO 0.03 0.74 0.22 -0.33 -0.00 0.00 0.00 178.44 179.10 1s6l h GLU 58 N 0.11 0.00 0.00 1.13 5.08 -0.73 0.43 114.58 120.60 1s6l h GLU 58 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1s6l h GLU 58 Cb 1.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.35 1s6l h GLU 58 CO 0.09 0.00 -0.70 0.37 -1.00 0.00 0.00 179.01 177.77 1s6l h GLN 59 N 0.00 0.00 -1.05 2.33 4.15 -1.63 -3.32 115.11 115.59 1s6l h GLN 59 Ca 0.06 0.00 -0.49 0.00 0.77 0.00 0.00 58.65 58.99 1s6l h GLN 59 Cb 0.49 0.00 -0.26 0.00 0.21 0.00 0.00 27.48 27.93 1s6l h GLN 59 CO -0.00 0.00 0.62 0.00 -1.93 0.00 0.00 178.83 177.52 1s6l n ALA 60 N -1.93 5.42 0.33 3.38 0.00 0.15 -4.53 120.51 123.34 1s6l n ALA 60 Ca 0.02 -2.62 0.21 0.00 0.00 0.00 0.00 53.44 51.05 1s6l n ALA 60 Cb 0.47 -1.48 1.13 0.00 0.00 0.00 0.00 19.45 19.57 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 0.90 0.07 0.00 0.00 1.35 -1.67 0.26 112.91 113.83 1s6l h THR 61 Ca 0.53 0.00 -0.04 0.00 -0.55 0.00 0.00 66.41 66.35 1s6l h THR 61 Cb 2.01 0.95 -0.01 0.00 -1.73 0.00 0.00 68.15 69.37 1s6l h THR 61 CO 1.08 0.00 -1.12 -1.20 -0.25 0.00 0.00 175.52 174.03 1s6l n SER 62 N -3.16 0.84 -4.77 5.36 7.64 -1.26 -4.92 113.62 113.35 1s6l n SER 62 Ca -0.03 0.34 -0.40 0.00 1.01 0.00 0.00 58.87 59.79 1s6l n SER 62 Cb 0.12 0.40 0.01 0.00 -1.01 0.00 0.00 64.21 63.72 1s6l n SER 62 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1s6l s THR 63 N -3.26 2.08 0.04 0.44 2.01 0.08 -4.95 115.64 112.08 1s6l s THR 63 Ca -0.01 0.08 -0.30 0.00 0.31 0.00 0.00 61.69 61.76 1s6l s THR 63 Cb 0.09 -3.05 -0.04 0.00 0.01 0.00 0.00 72.50 69.52 1s6l s THR 63 CO 0.80 0.01 1.01 -1.61 -0.69 0.00 0.00 174.62 174.14 1s6l s GLU 64 N -2.24 4.57 0.47 4.92 2.02 -1.25 -5.03 118.70 122.16 1s6l s GLU 64 Ca 0.56 1.49 0.08 0.00 0.02 0.00 0.00 54.97 57.12 1s6l s GLU 64 Cb -0.45 -3.42 0.02 0.00 0.10 0.00 0.00 34.13 30.38 1s6l s GLU 64 CO 0.60 -0.03 0.52 0.71 0.02 0.00 0.00 175.26 177.08 1s6l s TYR 65 N 0.78 2.30 -0.08 1.61 2.02 -1.26 -3.01 117.35 119.71 1s6l s TYR 65 Ca 0.52 -0.57 -0.18 0.00 -0.37 0.00 0.00 57.07 56.47 1s6l s TYR 65 Cb -0.23 -2.20 0.04 0.00 -0.40 0.00 0.00 41.96 39.17 1s6l s TYR 65 CO 0.29 -0.47 0.43 0.16 -1.57 0.00 0.00 175.55 174.39 1s6l s ASP 66 N -4.32 -0.38 1.06 2.29 -4.77 -0.98 -4.84 116.67 104.72 1s6l s ASP 66 Ca 0.51 0.50 0.00 0.00 -3.30 0.00 0.00 52.55 50.26 1s6l s ASP 66 Cb -0.05 0.57 0.00 0.00 -1.09 0.00 0.00 42.92 42.35 1s6l s ASP 66 CO 0.31 -0.38 0.00 1.17 0.70 0.00 0.00 175.17 176.97 1s6l n LYS 67 N 1.74 0.00 0.02 2.11 3.00 -1.26 -1.84 118.16 121.93 1s6l n LYS 67 Ca -0.18 0.00 0.12 0.00 -0.00 0.00 0.00 58.31 58.24 1s6l n LYS 67 Cb 0.56 0.00 0.13 0.00 0.00 0.00 0.00 35.03 35.72 1s6l n LYS 67 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1s6l n ASP 68 N 9.01 0.62 0.00 3.14 8.00 -1.26 -4.91 116.55 131.15 1s6l n ASP 68 Ca 0.00 -0.24 0.00 0.00 0.71 0.00 0.00 54.79 55.26 1s6l n ASP 68 Cb 0.00 0.48 0.00 0.00 -0.02 0.00 0.00 41.12 41.58 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 1.43 1.45 3.93 0.44 0.00 -0.77 -5.15 105.19 106.52 1s6l n GLY 69 Ca 0.04 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.80 1s6l n GLY 69 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1s6l s ASN 70 N -1.54 5.11 -0.33 1.61 0.01 -0.99 -4.73 114.94 114.08 1s6l s ASN 70 Ca 0.00 0.55 -0.29 0.00 -0.71 0.00 0.00 52.86 52.41 1s6l s ASN 70 Cb 0.00 -1.33 0.02 0.00 0.41 0.00 0.00 41.25 40.35 1s6l s ASN 70 CO 0.00 -1.40 1.09 -0.63 -1.51 0.00 0.00 177.10 174.65 1s6l s ILE 71 N -3.15 4.47 -0.07 0.60 1.09 -0.92 -2.33 121.20 120.89 1s6l s ILE 71 Ca 0.58 1.68 0.10 0.00 -1.10 0.00 0.00 60.65 61.90 1s6l s ILE 71 Cb -0.11 -4.43 -0.14 0.00 -1.06 0.00 0.00 42.46 36.72 1s6l s ILE 71 CO 0.45 -0.53 0.12 0.00 -0.10 0.00 0.00 174.94 174.87 1s6l n ILE 72 N 5.98 0.41 -0.80 2.92 3.06 -1.16 -3.71 119.36 126.05 1s6l n ILE 72 Ca 0.12 -0.35 0.00 0.00 -2.50 0.00 0.00 62.75 60.02 1s6l n ILE 72 Cb 0.47 -0.34 0.00 0.00 0.54 0.00 0.00 39.64 40.31 1s6l n ILE 72 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1s6l n GLY 73 N 2.18 0.63 2.91 4.50 0.00 -1.21 -4.82 105.19 109.38 1s6l n GLY 73 Ca -0.11 -1.10 0.03 0.00 0.00 0.00 0.00 46.02 44.85 1s6l n GLY 73 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1s6l s TYR 74 N 0.00 -0.33 0.00 1.61 6.14 -1.26 -3.90 117.35 119.61 1s6l s TYR 74 Ca 0.00 0.11 0.04 0.00 0.64 0.00 0.00 57.07 57.85 1s6l s TYR 74 Cb 0.00 0.06 0.06 0.00 0.42 0.00 0.00 41.96 42.50 1s6l s TYR 74 CO 0.00 -0.21 0.90 0.41 0.64 0.00 0.00 175.55 177.29 1s6l n GLY 75 N 4.22 0.69 3.15 8.97 0.00 -1.26 -5.05 105.19 115.91 1s6l n GLY 75 Ca 0.07 -0.12 -0.12 0.00 0.00 0.00 0.00 46.02 45.84 1s6l n GLY 75 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1s6l s LEU 76 N 0.00 1.10 0.23 0.99 1.43 -1.25 -2.02 118.68 119.16 1s6l s LEU 76 Ca 0.05 0.28 0.06 0.00 -1.03 0.00 0.00 54.13 53.48 1s6l s LEU 76 Cb 0.06 0.91 -0.03 0.00 0.03 0.00 0.00 46.19 47.15 1s6l s LEU 76 CO -0.02 -0.22 0.27 0.42 0.23 0.00 0.00 176.35 177.02 1s6l s THR 77 N -0.47 4.88 0.13 5.49 -4.23 -1.26 -4.97 115.64 115.21 1s6l s THR 77 Ca -0.06 -1.13 -0.18 0.00 -1.18 0.00 0.00 61.69 59.14 1s6l s THR 77 Cb -0.04 -3.62 -0.03 0.00 1.34 0.00 0.00 72.50 70.15 1s6l s THR 77 CO 0.01 -0.29 1.76 0.25 -0.54 0.00 0.00 174.62 175.81 1s6l h LEU 78 N 1.51 0.17 -9.54 4.79 6.46 -2.00 -3.43 115.31 113.27 1s6l h LEU 78 Ca -0.50 0.01 -0.59 0.00 -0.12 0.00 0.00 57.88 56.68 1s6l h LEU 78 Cb 1.23 -0.02 -0.11 0.00 -0.73 0.00 0.00 40.66 41.04 1s6l h LEU 78 CO 0.62 0.13 -0.65 -0.13 -0.62 0.00 0.00 178.44 177.79 1s6l s ARG 79 N -6.17 2.43 0.17 1.25 0.52 -1.26 -5.07 118.95 110.82 1s6l s ARG 79 Ca -0.13 -1.13 -0.33 0.00 -0.52 0.00 0.00 55.73 53.62 1s6l s ARG 79 Cb 0.10 -2.36 -0.13 0.00 0.52 0.00 0.00 34.95 33.08 1s6l s ARG 79 CO 0.70 0.44 1.65 -1.91 0.02 0.00 0.00 175.30 176.21 1s6l n GLU 80 N -0.25 2.41 -2.10 3.54 2.13 -1.26 -4.99 120.64 120.12 1s6l n GLU 80 Ca -0.09 0.87 -0.07 0.00 0.66 0.00 0.00 57.16 58.53 1s6l n GLU 80 Cb 0.56 -2.68 0.00 0.00 0.27 0.00 0.00 31.44 29.59 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 3.74 0.00 -0.06 6.31 -2.24 -1.26 -5.07 114.28 115.69 1s6l n THR 81 Ca 0.17 -0.60 -0.21 0.00 -2.27 0.00 0.00 64.05 61.14 1s6l n THR 81 Cb 0.31 -0.40 -0.13 0.00 -2.10 0.00 0.00 70.33 68.01 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 -2.02 2.05 -4.59 3.42 7.64 -1.26 -4.82 113.62 114.03 1s6l n SER 82 Ca -0.00 0.11 -0.43 0.00 1.01 0.00 0.00 58.87 59.56 1s6l n SER 82 Cb 0.17 -0.71 -0.02 0.00 -1.01 0.00 0.00 64.21 62.64 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 -2.53 2.62 -0.06 1.43 2.02 -1.26 -4.54 117.35 115.04 1s6l s TYR 83 Ca -0.28 0.60 0.00 0.00 -0.37 0.00 0.00 57.07 57.02 1s6l s TYR 83 Cb 0.08 -4.43 -0.03 0.00 -0.40 0.00 0.00 41.96 37.17 1s6l s TYR 83 CO 0.68 -1.57 -0.03 0.08 -1.57 0.00 0.00 175.55 173.13 1s6l s VAL 84 N 4.96 3.98 -0.23 0.71 1.01 -0.44 -1.45 120.40 128.94 1s6l s VAL 84 Ca 0.50 -0.44 -0.01 0.00 0.00 0.00 0.00 61.98 62.03 1s6l s VAL 84 Cb -0.09 -2.67 0.07 0.00 0.00 0.00 0.00 36.38 33.69 1s6l s VAL 84 CO 0.30 0.56 0.02 0.12 0.00 0.00 0.00 175.10 176.09 1s6l s PHE 85 N -0.89 1.63 -0.14 5.22 5.36 -0.37 -0.46 117.98 128.33 1s6l s PHE 85 Ca 0.14 -1.34 -0.07 0.00 -0.96 0.00 0.00 56.93 54.70 1s6l s PHE 85 Cb -0.11 -1.36 -0.04 0.00 -0.34 0.00 0.00 43.02 41.17 1s6l s PHE 85 CO 0.03 -0.72 0.10 -1.21 -1.46 0.00 0.00 175.22 171.97 1s6l s GLU 86 N 1.65 3.58 -0.04 10.12 8.01 0.33 0.76 118.70 143.11 1s6l s GLU 86 Ca -0.00 -0.23 -0.01 0.00 0.01 0.00 0.00 54.97 54.74 1s6l s GLU 86 Cb -0.18 -3.17 0.03 0.00 -4.31 0.00 0.00 34.13 26.51 1s6l s GLU 86 CO -0.11 0.61 0.04 0.96 0.01 0.00 0.00 175.26 176.77 1s6l s ILE 87 N -0.55 0.04 0.00 -1.63 -4.36 -0.75 0.13 121.20 114.08 1s6l s ILE 87 Ca 0.12 0.29 0.00 0.00 -0.26 0.00 0.00 60.65 60.79 1s6l s ILE 87 Cb -0.12 -0.23 0.00 0.00 1.25 0.00 0.00 42.46 43.36 1s6l s ILE 87 CO 0.02 0.18 0.00 -0.67 0.24 0.00 0.00 174.94 174.71 1s6l n ASP 88 N 4.93 0.00 -1.64 4.36 2.03 -1.24 -0.74 116.55 124.25 1s6l n ASP 88 Ca -0.11 0.00 -0.03 0.00 0.52 0.00 0.00 54.79 55.17 1s6l n ASP 88 Cb 0.50 0.00 0.02 0.00 -0.72 0.00 0.00 41.12 40.92 1s6l n ASP 88 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1s6l n ASP 89 N 0.00 -0.93 -3.67 1.67 -0.08 -1.26 -5.10 116.55 107.18 1s6l n ASP 89 Ca 0.00 -1.71 -0.26 0.00 -1.51 0.00 0.00 54.79 51.31 1s6l n ASP 89 Cb 0.00 0.37 -0.17 0.00 2.34 0.00 0.00 41.12 43.66 1s6l n ASP 89 CO 0.00 0.00 0.00 -0.13 0.12 0.00 0.00 177.20 177.19 1s6l s ARG 90 N 0.05 0.29 -0.20 -0.67 1.81 0.08 -5.12 118.95 115.19 1s6l s ARG 90 Ca 0.03 -0.14 -0.29 0.00 -1.72 0.00 0.00 55.73 53.61 1s6l s ARG 90 Cb 0.17 -1.74 -0.00 0.00 -0.45 0.00 0.00 34.95 32.93 1s6l s ARG 90 CO -0.05 -0.60 1.14 1.03 -0.68 0.00 0.00 175.30 176.14 1s6l s ARG 91 N 2.03 4.25 0.34 3.54 3.00 -1.26 -1.81 118.95 129.04 1s6l s ARG 91 Ca 0.02 1.49 0.08 0.00 0.00 0.00 0.00 55.73 57.32 1s6l s ARG 91 Cb -0.16 -3.69 -0.04 0.00 0.00 0.00 0.00 34.95 31.06 1s6l s ARG 91 CO -0.08 -0.66 0.19 -0.51 0.00 0.00 0.00 175.30 174.24 1s6l s LEU 92 N 3.31 3.37 0.20 2.53 1.43 0.23 -4.97 118.68 124.78 1s6l s LEU 92 Ca 0.49 -0.67 0.03 0.00 -1.03 0.00 0.00 54.13 52.94 1s6l s LEU 92 Cb -0.18 -1.89 -0.05 0.00 0.03 0.00 0.00 46.19 44.10 1s6l s LEU 92 CO 0.10 -0.30 0.00 -0.31 0.23 0.00 0.00 176.35 176.07 1s6l s TYR 93 N -2.38 1.37 0.25 0.29 1.51 -0.86 -1.23 117.35 116.30 1s6l s TYR 93 Ca 0.38 -0.98 -0.14 0.00 -1.01 0.00 0.00 57.07 55.32 1s6l s TYR 93 Cb -0.04 -0.78 -0.00 0.00 -0.11 0.00 0.00 41.96 41.03 1s6l s TYR 93 CO 0.24 -0.14 0.52 0.00 -1.11 0.00 0.00 175.55 175.05 1s6l s ALA 94 N -3.56 -0.41 -1.03 3.71 0.00 -0.53 -3.74 121.76 116.20 1s6l s ALA 94 Ca 0.26 -0.78 0.15 0.00 0.00 0.00 0.00 51.96 51.59 1s6l s ALA 94 Cb 0.06 1.03 -0.08 0.00 0.00 0.00 0.00 23.12 24.13 1s6l s ALA 94 CO 0.06 -0.89 0.71 0.91 0.00 0.00 0.00 175.76 176.56 1s6l n TRP 95 N -0.39 0.00 -3.66 0.00 8.01 -1.26 -4.28 117.44 115.85 1s6l n TRP 95 Ca -0.02 0.00 -0.10 0.00 -1.31 0.00 0.00 57.50 56.07 1s6l n TRP 95 Cb 0.61 0.00 -0.05 0.00 -2.01 0.00 0.00 31.31 29.86 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 2.42 2.17 0.00 0.00 0.00 -1.44 -1.84 119.26 120.57 1s6l h ALA 97 Ca -0.34 -0.02 -0.18 0.00 0.00 0.00 0.00 54.91 54.37 1s6l h ALA 97 Cb 1.25 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 19.05 1s6l h ALA 97 CO 0.48 -0.76 -0.99 1.25 0.00 0.00 0.00 179.25 179.23 1s6l h LEU 98 N 0.00 0.00 -0.86 0.00 6.46 -1.83 -3.36 115.31 115.71 1s6l h LEU 98 Ca 0.22 -0.59 0.12 0.00 -0.12 0.00 0.00 57.88 57.51 1s6l h LEU 98 Cb 1.27 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 41.18 1s6l h LEU 98 CO -0.00 1.37 0.93 0.44 -0.62 0.00 0.00 178.44 180.56 1s6l h ASP 99 N -1.00 0.00 -0.32 1.25 5.19 -1.72 0.32 116.42 120.14 1s6l h ASP 99 Ca -0.27 0.00 0.03 0.00 -0.62 0.00 0.00 57.03 56.17 1s6l h ASP 99 Cb 1.22 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.71 1s6l h ASP 99 CO -0.16 0.00 0.21 0.71 -3.12 0.00 0.00 179.24 176.88 1s6l h THR 100 N 0.00 1.01 0.00 0.35 1.35 -1.69 -3.43 112.91 110.49 1s6l h THR 100 Ca 0.20 -0.11 0.00 0.00 -0.55 0.00 0.00 66.41 65.95 1s6l h THR 100 Cb 2.06 0.67 0.00 0.00 -1.73 0.00 0.00 68.15 69.15 1s6l h THR 100 CO -0.00 0.06 0.00 -0.11 -0.25 0.00 0.00 175.52 175.21 1s6l n LEU 101 N -4.49 0.00 -4.01 3.87 7.94 0.11 -4.71 117.00 115.71 1s6l n LEU 101 Ca 0.03 0.00 -0.25 0.00 -1.11 0.00 0.00 56.01 54.67 1s6l n LEU 101 Cb 0.16 0.00 -0.17 0.00 0.53 0.00 0.00 43.42 43.94 1s6l n LEU 101 CO 0.35 0.00 -0.47 -0.63 -1.11 0.00 0.00 177.39 175.53 1s6l s ILE 102 N -1.92 1.16 -0.55 1.96 1.01 -1.26 -4.85 121.20 116.75 1s6l s ILE 102 Ca 0.00 -0.47 -0.01 0.00 0.00 0.00 0.00 60.65 60.16 1s6l s ILE 102 Cb 0.00 -1.07 -0.01 0.00 0.01 0.00 0.00 42.46 41.38 1s6l s ILE 102 CO 0.00 0.37 0.51 0.49 0.00 0.00 0.00 174.94 176.30 1s6l n PHE 103 N 3.98 -1.86 0.31 3.97 3.72 -1.26 -4.91 117.46 121.40 1s6l n PHE 103 Ca -0.21 0.69 0.20 0.00 -0.05 0.00 0.00 57.45 58.08 1s6l n PHE 103 Cb 0.51 -3.33 0.99 0.00 -0.94 0.00 0.00 39.48 36.71 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 -0.01 0.00 0.00 -1.08 0.11 -1.91 -1.81 132.00 127.30 1s6l h PRO 104 Ca -0.12 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.93 1s6l h PRO 104 Cb 1.06 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 1s6l h PRO 104 CO 0.23 0.02 -0.25 0.00 -0.21 0.00 0.00 178.00 177.78 1s6l h ALA 105 N 1.98 0.95 0.00 -0.75 0.00 -1.81 -3.07 119.26 116.56 1s6l h ALA 105 Ca -0.00 -0.23 -0.19 0.00 0.00 0.00 0.00 54.91 54.49 1s6l h ALA 105 Cb 0.20 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 1s6l h ALA 105 CO 0.00 0.32 -0.91 -0.07 0.00 0.00 0.00 179.25 178.59 1s6l h LEU 106 N 0.00 0.00 0.29 0.00 3.38 -1.67 -3.34 115.31 113.97 1s6l h LEU 106 Ca -0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1s6l h LEU 106 Cb 0.88 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.60 1s6l h LEU 106 CO 0.03 0.91 -0.47 0.40 0.09 0.00 0.00 178.44 179.40 1s6l h ILE 107 N 0.00 0.00 0.00 1.22 1.08 -1.57 -3.47 117.51 114.77 1s6l h ILE 107 Ca -0.01 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.46 1s6l h ILE 107 Cb 1.63 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 35.38 1s6l h ILE 107 CO 0.12 0.00 0.00 0.61 -0.69 0.00 0.00 178.15 178.19 1s6l n GLY 108 N -1.48 0.94 3.56 5.37 0.00 -1.25 -5.06 105.19 107.28 1s6l n GLY 108 Ca -0.09 -0.10 -0.14 0.00 0.00 0.00 0.00 46.02 45.69 1s6l n GLY 108 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1s6l n ARG 109 N -2.11 0.83 -3.01 1.61 3.00 -1.26 -4.94 116.66 110.79 1s6l n ARG 109 Ca 0.00 -2.74 -0.33 0.00 -0.00 0.00 0.00 57.85 54.78 1s6l n ARG 109 Cb 0.00 2.80 -0.06 0.00 0.00 0.00 0.00 32.46 35.19 1s6l n ARG 109 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.63 178.62 1s6l s THR 110 N -2.65 4.54 -0.18 5.15 2.01 -1.26 -3.50 115.64 119.75 1s6l s THR 110 Ca 0.27 1.22 -0.04 0.00 0.31 0.00 0.00 61.69 63.45 1s6l s THR 110 Cb -0.02 -3.66 0.06 0.00 0.01 0.00 0.00 72.50 68.89 1s6l s THR 110 CO 0.19 -0.16 0.06 0.00 -0.69 0.00 0.00 174.62 174.02 1s6l s ALA 111 N -1.97 0.73 -0.25 7.40 0.00 0.39 -3.68 121.76 124.38 1s6l s ALA 111 Ca 0.55 -0.50 -0.29 0.00 0.00 0.00 0.00 51.96 51.72 1s6l s ALA 111 Cb -0.11 -1.10 0.01 0.00 0.00 0.00 0.00 23.12 21.92 1s6l s ALA 111 CO 0.17 -1.15 1.07 1.03 0.00 0.00 0.00 175.76 176.88 1s6l s ARG 112 N 1.99 4.21 -0.14 0.00 0.52 0.34 0.15 118.95 126.02 1s6l s ARG 112 Ca 0.01 1.31 -0.02 0.00 -0.52 0.00 0.00 55.73 56.51 1s6l s ARG 112 Cb -0.16 -3.68 -0.02 0.00 0.52 0.00 0.00 34.95 31.60 1s6l s ARG 112 CO -0.08 -0.71 -0.06 0.08 0.02 0.00 0.00 175.30 174.54 1s6l s VAL 113 N 3.35 3.66 -0.04 3.52 1.01 0.39 0.12 120.40 132.42 1s6l s VAL 113 Ca 0.45 -0.45 0.06 0.00 0.00 0.00 0.00 61.98 62.04 1s6l s VAL 113 Cb -0.15 -2.57 -0.01 0.00 0.00 0.00 0.00 36.38 33.65 1s6l s VAL 113 CO 0.09 0.52 -0.22 -0.44 0.00 0.00 0.00 175.10 175.05 1s6l s SER 114 N 0.17 2.66 0.24 3.32 0.01 0.39 0.14 113.70 120.64 1s6l s SER 114 Ca -0.03 -0.43 0.01 0.00 1.31 0.00 0.00 55.95 56.80 1s6l s SER 114 Cb -0.14 -0.55 -0.03 0.00 0.21 0.00 0.00 66.02 65.51 1s6l s SER 114 CO 0.03 0.24 0.20 -0.94 0.41 0.00 0.00 173.24 173.18 1s6l s SER 115 N -0.27 0.57 -0.05 2.44 1.04 0.56 -1.33 113.70 116.66 1s6l s SER 115 Ca 0.02 -1.47 0.02 0.00 0.48 0.00 0.00 55.95 55.00 1s6l s SER 115 Cb -0.11 0.45 0.02 0.00 0.10 0.00 0.00 66.02 66.47 1s6l s SER 115 CO 0.01 -0.93 -0.08 -1.00 0.98 0.00 0.00 173.24 172.22 1s6l s HIS 116 N -3.92 1.05 0.02 5.02 0.09 -1.26 0.78 115.29 117.07 1s6l s HIS 116 Ca 0.38 -0.34 -0.33 0.00 -0.00 0.00 0.00 55.06 54.77 1s6l s HIS 116 Cb 0.05 -0.82 -0.12 0.00 -0.00 0.00 0.00 32.58 31.69 1s6l s HIS 116 CO 0.16 -0.21 1.79 0.00 -0.00 0.00 0.00 174.74 176.48 1s6l n ALA 118 N 5.56 1.76 -0.00 0.00 0.00 0.05 -0.05 120.51 127.83 1s6l n ALA 118 Ca 0.20 -0.06 -0.01 0.00 0.00 0.00 0.00 53.44 53.57 1s6l n ALA 118 Cb 0.31 -1.23 -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 -1.35 2.95 0.67 0.00 0.00 -1.26 -4.76 120.51 116.76 1s6l n ALA 119 Ca 0.06 -0.03 0.12 0.00 0.00 0.00 0.00 53.44 53.59 1s6l n ALA 119 Cb 0.13 0.48 0.18 0.00 0.00 0.00 0.00 19.45 20.23 1s6l n ALA 119 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1s6l n THR 120 N -3.06 0.25 -1.02 0.00 -1.04 -1.24 -4.93 114.28 103.24 1s6l n THR 120 Ca -0.01 -0.21 -0.01 0.00 -2.04 0.00 0.00 64.05 61.78 1s6l n THR 120 Cb 0.48 -0.02 -0.00 0.00 -1.82 0.00 0.00 70.33 68.97 1s6l n THR 120 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1s6l n GLY 121 N 1.38 0.16 3.71 3.41 0.00 0.93 -4.91 105.19 109.86 1s6l n GLY 121 Ca 0.04 -0.01 -0.29 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.26 1.24 -0.45 4.61 0.00 -1.26 -4.51 121.76 120.13 1s6l s ALA 122 Ca 0.00 -0.36 -0.19 0.00 0.00 0.00 0.00 51.96 51.40 1s6l s ALA 122 Cb 0.00 -3.10 0.03 0.00 0.00 0.00 0.00 23.12 20.05 1s6l s ALA 122 CO 0.00 -2.63 0.59 -1.25 0.00 0.00 0.00 175.76 172.47 1s6l s PRO 123 N -5.04 3.19 0.03 0.00 0.04 -1.26 -1.03 135.00 130.93 1s6l s PRO 123 Ca 0.65 -0.62 0.02 0.00 0.04 0.00 0.00 61.00 61.09 1s6l s PRO 123 Cb -0.17 -4.00 -0.04 0.00 0.04 0.00 0.00 34.50 30.33 1s6l s PRO 123 CO 0.56 -1.03 0.04 0.14 0.04 0.00 0.00 177.00 176.75 1s6l s VAL 124 N 2.61 4.37 -0.12 -0.36 -7.23 0.23 -4.56 120.40 115.34 1s6l s VAL 124 Ca 0.18 -0.64 -0.16 0.00 -1.81 0.00 0.00 61.98 59.55 1s6l s VAL 124 Cb -0.16 -3.02 0.04 0.00 0.56 0.00 0.00 36.38 33.80 1s6l s VAL 124 CO 0.16 0.28 0.41 -0.94 -0.31 0.00 0.00 175.10 174.69 1s6l s SER 125 N -1.90 -0.39 0.06 4.85 1.04 0.15 0.21 113.70 117.72 1s6l s SER 125 Ca 0.23 0.67 0.03 0.00 0.48 0.00 0.00 55.95 57.36 1s6l s SER 125 Cb -0.12 0.72 -0.03 0.00 0.10 0.00 0.00 66.02 66.69 1s6l s SER 125 CO 0.15 -0.24 -0.09 -0.76 0.98 0.00 0.00 173.24 173.28 1s6l s LEU 126 N -0.20 2.31 -0.31 2.42 1.02 0.38 -0.57 118.68 123.71 1s6l s LEU 126 Ca -0.04 -0.65 -0.08 0.00 0.02 0.00 0.00 54.13 53.39 1s6l s LEU 126 Cb -0.03 -0.25 0.01 0.00 0.02 0.00 0.00 46.19 45.94 1s6l s LEU 126 CO 0.02 -0.21 0.11 -0.89 0.02 0.00 0.00 176.35 175.40 1s6l s THR 127 N -1.73 4.08 -0.40 5.49 2.01 -0.65 0.15 115.64 124.60 1s6l s THR 127 Ca -0.04 -0.75 -0.17 0.00 0.31 0.00 0.00 61.69 61.04 1s6l s THR 127 Cb -0.08 -3.15 0.01 0.00 0.01 0.00 0.00 72.50 69.29 1s6l s THR 127 CO 0.00 -0.00 0.43 -0.69 -0.69 0.00 0.00 174.62 173.67 1s6l s VAL 128 N 1.50 5.10 0.41 3.82 1.01 0.39 -2.35 120.40 130.28 1s6l s VAL 128 Ca 0.02 -0.19 0.08 0.00 0.00 0.00 0.00 61.98 61.88 1s6l s VAL 128 Cb -0.18 -3.98 -0.02 0.00 0.00 0.00 0.00 36.38 32.20 1s6l s VAL 128 CO 0.03 -0.33 0.40 -0.44 0.00 0.00 0.00 175.10 174.77 1s6l s SER 129 N 1.79 5.16 0.27 3.32 0.01 0.19 0.15 113.70 124.58 1s6l s SER 129 Ca 0.13 -0.68 0.22 0.00 1.31 0.00 0.00 55.95 56.93 1s6l s SER 129 Cb -0.17 -0.60 1.02 0.00 0.21 0.00 0.00 66.02 66.48 1s6l s SER 129 CO 0.13 -0.66 1.68 -2.65 0.41 0.00 0.00 173.24 172.15 1s6l n PRO 130 N -1.59 0.17 -0.01 12.44 -0.02 -1.23 -3.27 135.00 141.50 1s6l n PRO 130 Ca 0.04 0.49 -0.00 0.00 -2.02 0.00 0.00 63.50 62.01 1s6l n PRO 130 Cb 0.61 -1.89 -0.01 0.00 -0.02 0.00 0.00 33.50 32.19 1s6l n PRO 130 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1s6l n SER 131 N -2.22 4.55 0.00 2.55 3.41 -1.26 -4.56 113.62 116.09 1s6l n SER 131 Ca 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.62 1s6l n SER 131 Cb 0.16 0.71 0.00 0.00 -0.26 0.00 0.00 64.21 64.82 1s6l n SER 131 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 1s6l n GLU 132 N -1.92 -0.31 -3.31 4.33 0.28 -1.20 -5.15 120.64 113.35 1s6l n GLU 132 Ca -0.02 0.00 -0.23 0.00 -0.16 0.00 0.00 57.16 56.75 1s6l n GLU 132 Cb 0.41 0.00 -0.00 0.00 1.43 0.00 0.00 31.44 33.27 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 4.59 0.00 3.84 -4.36 -1.25 0.53 121.20 121.55 1s6l s ILE 133 Ca 0.00 -0.60 0.00 0.00 -0.26 0.00 0.00 60.65 59.79 1s6l s ILE 133 Cb 0.00 -3.66 0.00 0.00 1.25 0.00 0.00 42.46 40.05 1s6l s ILE 133 CO 0.00 -0.40 0.71 0.00 0.24 0.00 0.00 174.94 175.49 1s6l n GLN 134 N -1.83 0.00 -2.80 0.37 6.02 -0.99 -4.90 117.38 113.24 1s6l n GLN 134 Ca -0.02 -0.43 -0.00 0.00 -0.01 0.00 0.00 57.00 56.53 1s6l n GLN 134 Cb 0.57 -0.21 0.01 0.00 1.02 0.00 0.00 30.24 31.63 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 -3.93 -0.25 -1.58 0.00 -1.26 -4.89 121.76 109.84 1s6l s ALA 135 Ca 0.00 0.76 -0.10 0.00 0.00 0.00 0.00 51.96 52.62 1s6l s ALA 135 Cb 0.00 -2.94 -0.05 0.00 0.00 0.00 0.00 23.12 20.14 1s6l s ALA 135 CO 0.00 -2.44 0.15 0.08 0.00 0.00 0.00 175.76 173.55 1s6l s VAL 136 N 1.56 5.15 -0.13 0.00 1.01 -1.26 -1.63 120.40 125.10 1s6l s VAL 136 Ca 0.19 0.11 -0.04 0.00 0.00 0.00 0.00 61.98 62.23 1s6l s VAL 136 Cb 0.05 -3.42 0.06 0.00 0.00 0.00 0.00 36.38 33.07 1s6l s VAL 136 CO -0.12 0.32 0.24 -0.70 0.00 0.00 0.00 175.10 174.84 1s6l s GLU 137 N 1.36 0.13 0.75 2.72 2.12 0.26 -3.65 118.70 122.38 1s6l s GLU 137 Ca 0.07 0.68 -0.11 0.00 0.36 0.00 0.00 54.97 55.97 1s6l s GLU 137 Cb -0.15 -0.16 0.04 0.00 0.26 0.00 0.00 34.13 34.13 1s6l s GLU 137 CO 0.07 -0.32 1.08 -1.25 -0.54 0.00 0.00 175.26 174.30 1s6l s PRO 138 N 2.39 2.49 -1.17 4.30 0.04 -1.26 0.33 135.00 142.11 1s6l s PRO 138 Ca 0.02 0.81 -0.21 0.00 0.04 0.00 0.00 61.00 61.66 1s6l s PRO 138 Cb -0.12 -1.95 -0.05 0.00 0.04 0.00 0.00 34.50 32.41 1s6l s PRO 138 CO -0.08 -1.38 1.90 0.00 0.04 0.00 0.00 177.00 177.48 1s6l n ALA 139 N -3.30 2.61 0.00 8.56 0.00 -1.24 -2.54 120.51 124.60 1s6l n ALA 139 Ca 0.07 -3.30 0.00 0.00 0.00 0.00 0.00 53.44 50.21 1s6l n ALA 139 Cb 0.55 -3.53 0.00 0.00 0.00 0.00 0.00 19.45 16.46 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 5.45 -0.26 3.68 0.00 0.00 -1.26 -5.15 105.19 107.65 1s6l n GLY 140 Ca 0.47 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.18 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 1.11 0.09 1.61 0.00 -1.05 -3.85 119.30 117.21 1s6l s MET 141 Ca 0.00 1.41 0.05 0.00 0.00 0.00 0.00 55.69 57.15 1s6l s MET 141 Cb 0.00 -1.75 -0.03 0.00 0.00 0.00 0.00 34.83 33.05 1s6l s MET 141 CO 0.00 -2.52 -0.14 0.00 0.00 0.00 0.00 175.02 172.37 1s6l s ALA 142 N -2.69 1.26 0.19 3.16 0.00 0.37 -3.99 121.76 120.05 1s6l s ALA 142 Ca 0.66 -1.11 0.10 0.00 0.00 0.00 0.00 51.96 51.61 1s6l s ALA 142 Cb -0.22 -0.07 -0.04 0.00 0.00 0.00 0.00 23.12 22.79 1s6l s ALA 142 CO 0.58 0.12 -0.17 0.08 0.00 0.00 0.00 175.76 176.37 1s6l s VAL 143 N -1.68 2.74 0.08 0.00 1.01 0.34 0.29 120.40 123.18 1s6l s VAL 143 Ca 0.02 -1.88 0.09 0.00 0.00 0.00 0.00 61.98 60.21 1s6l s VAL 143 Cb -0.08 -2.34 -0.03 0.00 0.00 0.00 0.00 36.38 33.93 1s6l s VAL 143 CO 0.02 -0.13 -0.25 -0.94 0.00 0.00 0.00 175.10 173.80 1s6l s SER 144 N -2.79 3.06 0.24 3.32 1.04 0.46 0.43 113.70 119.46 1s6l s SER 144 Ca 0.23 -0.64 0.09 0.00 0.48 0.00 0.00 55.95 56.11 1s6l s SER 144 Cb -0.08 -0.24 -0.04 0.00 0.10 0.00 0.00 66.02 65.76 1s6l s SER 144 CO 0.13 0.20 -0.03 -1.48 0.98 0.00 0.00 173.24 173.03 1s6l s LEU 145 N -1.56 3.13 -0.21 2.42 0.05 0.21 0.55 118.68 123.26 1s6l s LEU 145 Ca 0.11 -0.63 0.01 0.00 0.05 0.00 0.00 54.13 53.67 1s6l s LEU 145 Cb -0.10 -1.69 0.05 0.00 -2.05 0.00 0.00 46.19 42.40 1s6l s LEU 145 CO 0.04 0.03 -0.08 0.54 -0.55 0.00 0.00 176.35 176.33 1s6l s VAL 146 N -2.16 1.56 -0.06 1.48 0.11 -1.26 -2.31 120.40 117.76 1s6l s VAL 146 Ca 0.30 -1.07 -0.05 0.00 -2.93 0.00 0.00 61.98 58.23 1s6l s VAL 146 Cb -0.07 -1.72 -0.03 0.00 -1.53 0.00 0.00 36.38 33.03 1s6l s VAL 146 CO 0.19 0.06 0.22 -0.07 -3.33 0.00 0.00 175.10 172.16 1s6l h LEU 147 N 7.97 -0.14 0.02 2.54 3.38 -1.86 -3.39 115.31 123.84 1s6l h LEU 147 Ca -0.23 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.74 1s6l h LEU 147 Cb 1.09 0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.87 1s6l h LEU 147 CO 0.44 0.24 -0.01 1.55 0.09 0.00 0.00 178.44 180.75 1s6l h PRO 148 N -0.85 -0.03 -3.38 1.13 0.13 -1.83 -3.42 132.00 123.75 1s6l h PRO 148 Ca -0.02 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.12 1s6l h PRO 148 Cb 0.13 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.26 1s6l h PRO 148 CO 0.03 0.45 -0.85 0.94 -0.23 0.00 0.00 178.00 178.34 1s6l n GLN 149 N -4.87 -3.95 -0.01 0.86 7.27 -1.26 -4.77 117.38 110.65 1s6l n GLN 149 Ca -0.08 3.00 0.04 0.00 0.07 0.00 0.00 57.00 60.03 1s6l n GLN 149 Cb 0.26 -3.56 -0.09 0.00 2.41 0.00 0.00 30.24 29.25 1s6l n GLN 149 CO 0.00 0.00 0.00 0.39 0.07 0.00 0.00 177.06 177.52 1s6l n GLU 150 N -1.72 0.64 -1.17 3.69 1.02 -1.26 -4.51 120.64 117.33 1s6l n GLU 150 Ca 0.00 -0.09 -0.24 0.00 -0.02 0.00 0.00 57.16 56.80 1s6l n GLU 150 Cb 0.22 -1.28 0.15 0.00 -0.02 0.00 0.00 31.44 30.51 1s6l n GLU 150 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1s6l n ALA 151 N -1.99 5.54 -3.96 0.62 0.00 -1.26 -4.81 120.51 114.65 1s6l n ALA 151 Ca -0.05 -2.81 -0.32 0.00 0.00 0.00 0.00 53.44 50.27 1s6l n ALA 151 Cb 0.39 -1.47 -0.14 0.00 0.00 0.00 0.00 19.45 18.23 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 -3.17 3.03 -0.55 0.00 0.00 -1.26 -4.95 121.76 114.84 1s6l s ALA 152 Ca 0.55 -2.68 0.01 0.00 0.00 0.00 0.00 51.96 49.83 1s6l s ALA 152 Cb 0.45 -2.10 0.53 0.00 0.00 0.00 0.00 23.12 22.01 1s6l s ALA 152 CO 0.08 -1.77 1.97 -0.40 0.00 0.00 0.00 175.76 175.64 1s6l n ASP 153 N 4.10 5.89 -0.01 0.00 5.75 -1.26 -4.30 116.55 126.72 1s6l n ASP 153 Ca 0.03 -3.67 -0.02 0.00 -0.01 0.00 0.00 54.79 51.13 1s6l n ASP 153 Cb 0.40 -0.91 -0.01 0.00 -1.03 0.00 0.00 41.12 39.57 1s6l n ASP 153 CO 0.00 0.00 0.00 1.33 -0.11 0.00 0.00 177.20 178.42 1s6l n VAL 154 N -0.96 0.10 0.02 2.12 0.24 -1.26 -5.08 118.33 113.50 1s6l n VAL 154 Ca 0.60 -0.03 0.00 0.00 -2.04 0.00 0.00 64.34 62.87 1s6l n VAL 154 Cb 1.10 -0.98 0.00 0.00 -1.47 0.00 0.00 33.84 32.49 1s6l n VAL 154 CO 0.00 0.00 0.00 -1.14 -2.14 0.00 0.00 176.83 173.55 1s6l n ARG 155 N -2.78 0.00 0.00 7.34 0.63 -1.26 -5.05 116.66 115.54 1s6l n ARG 155 Ca -0.03 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.90 1s6l n ARG 155 Cb 0.53 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.44 1s6l n ARG 155 CO 0.00 0.00 0.00 1.04 -2.51 0.00 0.00 177.63 176.16 1s6l n GLN 156 N -2.11 0.00 -1.37 -0.14 6.02 -1.26 -5.08 117.38 113.43 1s6l n GLN 156 Ca 0.00 0.00 0.14 0.00 -0.01 0.00 0.00 57.00 57.13 1s6l n GLN 156 Cb 0.00 -0.05 -0.08 0.00 1.02 0.00 0.00 30.24 31.13 1s6l n GLN 156 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 1s6l n SER 157 N -2.08 -7.43 -2.70 1.08 7.64 -1.26 -4.47 113.62 104.39 1s6l n SER 157 Ca 0.00 1.44 -0.04 0.00 1.01 0.00 0.00 58.87 61.28 1s6l n SER 157 Cb 0.00 -4.68 0.03 0.00 -1.01 0.00 0.00 64.21 58.55 1s6l n SER 157 CO 0.00 0.00 0.00 2.22 -3.01 0.00 0.00 175.04 174.25 1s6l n PHE 158 N -3.98 -1.88 0.17 1.43 -1.74 -1.26 -4.68 117.46 105.53 1s6l n PHE 158 Ca -0.08 -0.93 0.17 0.00 -0.56 0.00 0.00 57.45 56.05 1s6l n PHE 158 Cb 0.62 1.24 0.78 0.00 1.52 0.00 0.00 39.48 43.64 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 -2.01 0.00 -0.13 0.00 1.44 -1.23 -4.30 115.22 108.99 1s6l n HIS 161 Ca 0.00 0.00 -0.22 0.00 -2.01 0.00 0.00 57.72 55.49 1s6l n HIS 161 Cb 0.00 0.00 -0.10 0.00 0.12 0.00 0.00 29.99 30.01 1s6l n HIS 161 CO 0.00 0.00 0.00 1.55 -2.81 0.00 0.00 176.34 175.08 1s6l n VAL 162 N 0.00 1.41 -4.13 0.61 3.14 0.19 -3.91 118.33 115.64 1s6l n VAL 162 Ca 0.00 -0.45 -0.31 0.00 -2.96 0.00 0.00 64.34 60.62 1s6l n VAL 162 Cb 0.00 -1.60 -0.08 0.00 -1.06 0.00 0.00 33.84 31.10 1s6l n VAL 162 CO 0.00 0.00 0.00 -1.00 -6.46 0.00 0.00 176.83 169.37 1s6l s HIS 163 N -2.48 3.09 0.11 1.45 3.76 -1.13 -1.47 115.29 118.62 1s6l s HIS 163 Ca -0.35 0.05 0.06 0.00 -0.15 0.00 0.00 55.06 54.67 1s6l s HIS 163 Cb 0.11 -1.61 -0.04 0.00 1.11 0.00 0.00 32.58 32.15 1s6l s HIS 163 CO 0.51 0.49 -0.02 -0.06 -0.85 0.00 0.00 174.74 174.82 1s6l s PHE 164 N -1.28 2.92 -0.03 1.40 0.40 -1.26 0.17 117.98 120.31 1s6l s PHE 164 Ca 0.25 -0.07 0.03 0.00 -0.60 0.00 0.00 56.93 56.54 1s6l s PHE 164 Cb -0.12 -1.49 0.00 0.00 0.51 0.00 0.00 43.02 41.92 1s6l s PHE 164 CO 0.17 0.47 -0.10 -0.06 0.70 0.00 0.00 175.22 176.41 1s6l s PHE 165 N -1.35 0.99 0.57 0.36 0.40 0.84 -0.77 117.98 119.02 1s6l s PHE 165 Ca 0.25 -0.25 0.42 0.00 -0.60 0.00 0.00 56.93 56.75 1s6l s PHE 165 Cb -0.11 -0.70 1.44 0.00 0.51 0.00 0.00 43.02 44.15 1s6l s PHE 165 CO 0.17 -0.10 1.46 0.00 0.70 0.00 0.00 175.22 177.45 1s6l n ALA 166 N 3.25 1.58 -3.85 5.36 0.00 -1.26 0.14 120.51 125.72 1s6l n ALA 166 Ca -0.18 0.54 -0.01 0.00 0.00 0.00 0.00 53.44 53.79 1s6l n ALA 166 Cb 0.54 -0.94 0.01 0.00 0.00 0.00 0.00 19.45 19.06 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 -3.71 -0.03 0.25 0.00 1.04 -1.26 -3.39 113.70 106.60 1s6l s SER 167 Ca -0.04 -0.47 0.02 0.00 0.48 0.00 0.00 55.95 55.94 1s6l s SER 167 Cb 0.22 0.39 0.32 0.00 0.10 0.00 0.00 66.02 67.04 1s6l s SER 167 CO 0.74 -0.75 1.63 0.58 0.98 0.00 0.00 173.24 176.42 1s6l h VAL 168 N 2.00 1.31 -0.15 5.02 2.07 -1.83 0.93 116.25 125.60 1s6l h VAL 168 Ca -0.26 -1.57 -0.20 0.00 0.82 0.00 0.00 66.70 65.49 1s6l h VAL 168 Cb 1.21 1.63 0.00 0.00 -1.52 0.00 0.00 31.29 32.61 1s6l h VAL 168 CO 0.32 0.48 -0.70 -0.65 0.02 0.00 0.00 177.57 177.05 1s6l h PRO 169 N 0.34 0.62 0.08 1.57 0.11 -1.95 0.77 132.00 133.55 1s6l h PRO 169 Ca 0.03 -0.48 -0.29 0.00 0.11 0.00 0.00 66.00 65.37 1s6l h PRO 169 Cb 0.88 0.09 0.03 0.00 0.11 0.00 0.00 31.00 32.10 1s6l h PRO 169 CO 0.07 1.10 -1.18 1.15 -0.21 0.00 0.00 178.00 178.93 1s6l h THR 170 N 0.44 1.28 -0.50 -1.15 2.02 -1.93 5.07 112.91 118.14 1s6l h THR 170 Ca -0.03 -2.40 -0.01 0.00 0.77 0.00 0.00 66.41 64.74 1s6l h THR 170 Cb 1.30 2.59 -0.02 0.00 -1.74 0.00 0.00 68.15 70.28 1s6l h THR 170 CO 0.14 0.73 0.28 0.00 0.37 0.00 0.00 175.52 177.04 1s6l h ALA 171 N 0.34 0.64 0.00 6.16 0.00 0.97 1.20 119.26 128.57 1s6l h ALA 171 Ca -0.17 -0.08 -0.16 0.00 0.00 0.00 0.00 54.91 54.50 1s6l h ALA 171 Cb 1.85 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 19.41 1s6l h ALA 171 CO 0.23 0.15 -0.76 0.93 0.00 0.00 0.00 179.25 179.80 1s6l h GLU 172 N 0.67 0.00 0.31 0.00 5.08 0.65 0.12 114.58 121.42 1s6l h GLU 172 Ca 0.18 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.52 1s6l h GLU 172 Cb 0.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.28 1s6l h GLU 172 CO -0.03 0.76 -0.15 0.22 -1.00 0.00 0.00 179.01 178.81 1s6l h ASP 173 N 0.00 -0.35 0.30 1.42 1.82 1.11 0.49 116.42 121.21 1s6l h ASP 173 Ca -0.01 -0.18 -0.04 0.00 -0.39 0.00 0.00 57.03 56.41 1s6l h ASP 173 Cb 1.54 0.09 -0.01 0.00 0.68 0.00 0.00 39.33 41.63 1s6l h ASP 173 CO 0.10 0.09 -0.19 -0.25 -1.61 0.00 0.00 179.24 177.38 1s6l h TRP 174 N -0.91 0.00 -0.51 0.28 2.91 0.13 -1.62 115.95 116.23 1s6l h TRP 174 Ca -0.04 0.00 -0.10 0.00 1.13 0.00 0.00 58.89 59.88 1s6l h TRP 174 Cb 0.52 0.00 -0.02 0.00 -0.51 0.00 0.00 29.16 29.15 1s6l h TRP 174 CO 0.04 0.19 -0.08 0.00 -1.03 0.00 0.00 178.44 177.56 1s6l h ALA 175 N 1.81 0.90 -0.75 2.65 0.00 -0.82 -2.56 119.26 120.49 1s6l h ALA 175 Ca -0.00 -0.32 0.14 0.00 0.00 0.00 0.00 54.91 54.72 1s6l h ALA 175 Cb 0.39 -0.19 -0.09 0.00 0.00 0.00 0.00 17.79 17.90 1s6l h ALA 175 CO 0.02 0.64 0.30 1.03 0.00 0.00 0.00 179.25 181.25 1s6l h SER 176 N 0.83 0.29 -0.51 0.00 0.87 0.13 0.52 113.55 115.68 1s6l h SER 176 Ca 0.14 0.11 -0.10 0.00 -1.23 0.00 0.00 61.79 60.71 1s6l h SER 176 Cb 0.60 0.08 -0.06 0.00 -0.44 0.00 0.00 62.40 62.58 1s6l h SER 176 CO 0.04 0.12 0.12 0.29 -0.53 0.00 0.00 176.83 176.87 1s6l n LYS 177 N -4.99 3.45 -1.33 2.24 4.76 -1.08 -3.88 118.16 117.34 1s6l n LYS 177 Ca 0.14 -2.35 -0.02 0.00 -2.87 0.00 0.00 58.31 53.22 1s6l n LYS 177 Cb 0.40 -2.03 -0.02 0.00 -1.84 0.00 0.00 35.03 31.54 1s6l n LYS 177 CO 0.00 0.00 0.00 1.58 -1.37 0.00 0.00 177.40 177.61 1s6l n HIS 178 N 0.17 -0.03 -3.65 2.13 -0.00 0.15 -5.07 115.22 108.92 1s6l n HIS 178 Ca 0.27 -0.58 -0.16 0.00 0.46 0.00 0.00 57.72 57.71 1s6l n HIS 178 Cb 1.07 0.21 0.01 0.00 -0.12 0.00 0.00 29.99 31.16 1s6l n HIS 178 CO 0.00 0.00 0.00 1.04 0.46 0.00 0.00 176.34 177.84 1s6l n GLN 179 N 0.17 0.95 -2.05 1.57 6.02 0.75 -4.66 117.38 120.13 1s6l n GLN 179 Ca -0.11 -2.13 -0.20 0.00 -0.01 0.00 0.00 57.00 54.54 1s6l n GLN 179 Cb 0.91 0.18 -0.04 0.00 1.02 0.00 0.00 30.24 32.31 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 0.81 0.55 2.43 1.08 0.00 -1.26 -4.86 105.19 103.93 1s6l n GLY 180 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.71 1s6l n GLY 180 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1s6l n LEU 181 N -2.72 7.24 -2.13 0.99 4.77 -1.26 -4.77 117.00 119.13 1s6l n LEU 181 Ca -0.22 -4.21 -0.18 0.00 -0.03 0.00 0.00 56.01 51.36 1s6l n LEU 181 Cb 0.68 -1.06 -0.00 0.00 -2.33 0.00 0.00 43.42 40.71 1s6l n LEU 181 CO 0.29 1.54 -0.19 1.21 -1.33 0.00 0.00 177.39 178.91 1s6l n GLU 182 N -0.30 -1.89 0.00 3.23 2.13 -1.26 -4.61 120.64 117.94 1s6l n GLU 182 Ca 0.52 0.85 0.00 0.00 0.66 0.00 0.00 57.16 59.19 1s6l n GLU 182 Cb 0.51 -5.35 0.00 0.00 0.27 0.00 0.00 31.44 26.87 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 -1.08 0.44 1.83 8.31 0.00 -1.26 -4.02 105.19 109.42 1s6l n GLY 183 Ca -0.19 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.06 1s6l n GLY 183 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1s6l n LEU 184 N 0.00 -5.77 -3.91 0.99 0.00 -1.26 -4.45 117.00 102.61 1s6l n LEU 184 Ca 0.00 2.94 -0.10 0.00 0.00 0.00 0.00 56.01 58.84 1s6l n LEU 184 Cb 0.00 -2.87 -0.10 0.00 0.00 0.00 0.00 43.42 40.45 1s6l n LEU 184 CO 0.00 -1.27 -0.23 0.00 0.00 0.00 0.00 177.39 175.89 1s6l s ALA 185 N -0.90 -0.17 0.26 1.96 0.00 -0.98 -4.90 121.76 117.03 1s6l s ALA 185 Ca 0.00 -0.30 0.05 0.00 0.00 0.00 0.00 51.96 51.71 1s6l s ALA 185 Cb 0.00 0.13 -0.03 0.00 0.00 0.00 0.00 23.12 23.23 1s6l s ALA 185 CO 0.00 -0.20 0.39 0.42 0.00 0.00 0.00 175.76 176.37 1s6l s ILE 186 N -1.50 5.06 0.07 0.00 -1.09 -1.26 0.65 121.20 123.14 1s6l s ILE 186 Ca -0.15 -0.96 -0.27 0.00 -2.23 0.00 0.00 60.65 57.05 1s6l s ILE 186 Cb -0.08 -3.79 0.08 0.00 -1.58 0.00 0.00 42.46 37.10 1s6l s ILE 186 CO 0.00 -0.32 0.85 0.68 -1.23 0.00 0.00 174.94 174.93 1s6l s VAL 187 N -2.03 0.00 -0.09 2.92 -7.23 0.17 -4.91 120.40 109.23 1s6l s VAL 187 Ca 0.36 -0.21 -0.21 0.00 -1.81 0.00 0.00 61.98 60.11 1s6l s VAL 187 Cb -0.09 -1.29 -0.04 0.00 0.56 0.00 0.00 36.38 35.52 1s6l s VAL 187 CO 0.30 0.00 0.59 -0.44 -0.31 0.00 0.00 175.10 175.24 1s6l s SER 188 N -2.66 6.84 0.66 4.85 0.01 -1.26 0.13 113.70 122.27 1s6l s SER 188 Ca 0.06 1.01 0.16 0.00 1.31 0.00 0.00 55.95 58.50 1s6l s SER 188 Cb -0.01 -2.35 0.84 0.00 0.21 0.00 0.00 66.02 64.71 1s6l s SER 188 CO -0.06 -0.05 1.47 -0.37 0.41 0.00 0.00 173.24 174.63 1s6l h VAL 189 N 4.71 0.02 -0.14 3.43 -1.51 -1.90 1.16 116.25 122.02 1s6l h VAL 189 Ca -0.41 0.00 -0.14 0.00 -1.23 0.00 0.00 66.70 64.92 1s6l h VAL 189 Cb 1.19 0.32 0.00 0.00 -2.13 0.00 0.00 31.29 30.68 1s6l h VAL 189 CO 0.75 0.00 -0.46 0.45 -1.23 0.00 0.00 177.57 177.08 1s6l h HIS 190 N 0.00 0.73 0.00 5.19 3.86 -1.91 -2.49 115.15 120.54 1s6l h HIS 190 Ca 0.04 -0.30 -0.02 0.00 -1.16 0.00 0.00 60.37 58.93 1s6l h HIS 190 Cb 1.42 -0.12 -0.00 0.00 1.06 0.00 0.00 27.41 29.77 1s6l h HIS 190 CO 0.00 1.07 -0.32 0.93 0.86 0.00 0.00 177.93 180.47 1s6l h GLU 191 N 0.19 0.00 0.00 2.45 5.08 0.80 -3.22 114.58 119.87 1s6l h GLU 191 Ca -0.02 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.26 1s6l h GLU 191 Cb 1.09 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.33 1s6l h GLU 191 CO 0.10 0.09 -0.38 0.00 -1.00 0.00 0.00 179.01 177.81 1s6l h ALA 192 N 1.90 0.89 0.00 3.43 0.00 -0.50 -2.25 119.26 122.73 1s6l h ALA 192 Ca -0.01 -0.35 -0.11 0.00 0.00 0.00 0.00 54.91 54.45 1s6l h ALA 192 Cb 1.08 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 1s6l h ALA 192 CO 0.01 0.48 -0.61 0.35 0.00 0.00 0.00 179.25 179.49 1s6l h PHE 193 N 0.00 0.00 0.00 0.00 3.57 -1.46 -1.68 116.94 117.37 1s6l h PHE 193 Ca -0.00 0.00 -0.23 0.00 3.53 0.00 0.00 57.97 61.27 1s6l h PHE 193 Cb 1.03 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 39.74 1s6l h PHE 193 CO 0.00 0.49 -1.18 0.78 -2.23 0.00 0.00 178.31 176.16 1s6l h GLY 194 N 3.55 0.00 1.84 2.40 0.00 -1.56 0.23 103.07 109.52 1s6l h GLY 194 Ca -0.02 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.13 1s6l h GLY 194 CO 0.06 0.00 -0.91 1.41 0.00 0.00 0.00 176.54 177.10 1s6l h LEU 195 N 0.00 0.00 0.00 3.11 3.38 -1.45 -1.74 115.31 118.61 1s6l h LEU 195 Ca -0.08 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.73 1s6l h LEU 195 Cb 1.83 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.56 1s6l h LEU 195 CO 0.12 0.79 -1.05 1.23 0.09 0.00 0.00 178.44 179.61 1s6l h GLY 196 N 3.28 0.00 1.80 0.83 0.00 -1.31 -3.29 103.07 104.38 1s6l h GLY 196 Ca -0.04 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.24 1s6l h GLY 196 CO 0.10 0.00 -0.39 1.46 0.00 0.00 0.00 176.54 177.71 1s6l h GLN 197 N 0.00 0.00 0.00 4.80 1.08 -0.52 -3.25 115.11 117.22 1s6l h GLN 197 Ca -0.09 0.00 -0.06 0.00 -1.45 0.00 0.00 58.65 57.04 1s6l h GLN 197 Cb 1.58 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 29.00 1s6l h GLN 197 CO 0.07 0.18 -0.31 1.49 -0.95 0.00 0.00 178.83 179.31 1s6l h GLU 198 N 0.00 0.00 -0.99 1.46 4.81 -1.38 -3.18 114.58 115.30 1s6l h GLU 198 Ca -0.01 0.00 0.13 0.00 -0.13 0.00 0.00 59.36 59.35 1s6l h GLU 198 Cb 1.17 0.00 -0.09 0.00 0.63 0.00 0.00 28.75 30.46 1s6l h GLU 198 CO 0.02 0.31 0.62 0.35 -0.73 0.00 0.00 179.01 179.58 1s6l h PHE 199 N 0.00 1.09 0.00 0.92 3.04 -1.65 0.00 116.94 120.34 1s6l h PHE 199 Ca -0.00 0.03 -0.11 0.00 3.98 0.00 0.00 57.97 61.87 1s6l h PHE 199 Cb 0.94 -0.34 -0.02 0.00 2.56 0.00 0.00 35.95 39.10 1s6l h PHE 199 CO 0.00 0.40 -0.60 -0.97 -2.02 0.00 0.00 178.31 175.12 1s6l h ASN 200 N 0.92 0.00 -0.79 0.41 -1.24 -1.77 -3.21 115.58 109.90 1s6l h ASN 200 Ca 0.50 0.00 0.10 0.00 0.71 0.00 0.00 56.30 57.61 1s6l h ASN 200 Cb 0.58 0.00 -0.07 0.00 0.73 0.00 0.00 38.32 39.56 1s6l h ASN 200 CO -0.27 0.50 0.43 -0.09 -1.29 0.00 0.00 177.43 176.71 1s6l h ARG 201 N 0.00 0.70 0.02 6.67 9.65 -1.02 0.87 114.38 131.28 1s6l h ARG 201 Ca -0.02 -0.04 -0.22 0.00 -1.10 0.00 0.00 59.98 58.60 1s6l h ARG 201 Cb 1.40 -0.16 -0.02 0.00 -1.39 0.00 0.00 29.97 29.79 1s6l h ARG 201 CO 0.06 0.47 -1.04 1.25 2.80 0.00 0.00 179.97 183.51 1s6l h HIS 202 N 0.73 0.08 0.00 2.20 2.76 -1.62 -3.05 115.15 116.26 1s6l h HIS 202 Ca 0.38 -0.06 0.00 0.00 -2.20 0.00 0.00 60.37 58.49 1s6l h HIS 202 Cb 0.37 -0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.33 1s6l h HIS 202 CO -0.08 1.05 0.00 1.25 -1.30 0.00 0.00 177.93 178.85 1s6l h LEU 203 N 0.01 0.00 0.00 0.26 5.85 -1.31 -3.32 115.31 116.80 1s6l h LEU 203 Ca -0.03 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.67 1s6l h LEU 203 Cb 1.80 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.83 1s6l h LEU 203 CO 0.14 0.00 -0.12 0.25 -0.34 0.00 0.00 178.44 178.37 1s6l h LEU 204 N 0.00 0.00 0.00 2.25 7.12 0.72 -3.47 115.31 121.93 1s6l h LEU 204 Ca 0.00 -0.76 -0.30 0.00 0.13 0.00 0.00 57.88 56.96 1s6l h LEU 204 Cb 0.91 0.00 0.13 0.00 -0.53 0.00 0.00 40.66 41.18 1s6l h LEU 204 CO 0.00 0.95 0.18 0.00 -0.13 0.00 0.00 178.44 179.43 1s6l n GLN 205 N -4.63 -1.86 -1.33 1.25 6.02 -1.15 -4.48 117.38 111.20 1s6l n GLN 205 Ca -0.10 -1.35 -0.31 0.00 -0.01 0.00 0.00 57.00 55.23 1s6l n GLN 205 Cb 0.41 -1.09 0.09 0.00 1.02 0.00 0.00 30.24 30.66 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 -2.71 3.39 0.40 5.09 -1.32 -1.26 -4.94 115.64 114.29 1s6l s THR 206 Ca 0.52 0.45 0.03 0.00 -1.21 0.00 0.00 61.69 61.49 1s6l s THR 206 Cb -0.03 -3.00 0.03 0.00 -1.51 0.00 0.00 72.50 67.99 1s6l s THR 206 CO 0.39 -0.59 0.28 0.23 -2.21 0.00 0.00 174.62 172.71 1s6l n MET 207 N -3.48 0.91 -0.84 7.08 2.81 -1.26 -4.97 117.12 117.38 1s6l n MET 207 Ca 0.08 -2.51 -0.32 0.00 -1.81 0.00 0.00 57.70 53.14 1s6l n MET 207 Cb 0.53 0.30 0.15 0.00 -0.71 0.00 0.00 33.22 33.50 1s6l n MET 207 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 1s6l s SER 208 N -3.32 3.12 -0.42 7.83 1.04 -1.26 -4.98 113.70 115.70 1s6l s SER 208 Ca 0.21 2.27 -0.10 0.00 0.48 0.00 0.00 55.95 58.81 1s6l s SER 208 Cb -0.02 -2.58 0.07 0.00 0.10 0.00 0.00 66.02 63.60 1s6l s SER 208 CO 0.13 -2.98 0.27 -0.44 0.98 0.00 0.00 173.24 171.20 1s6l s SER 209 N -2.46 5.70 0.00 7.02 0.01 -1.26 -4.87 113.70 117.85 1s6l s SER 209 Ca 0.69 -1.44 0.00 0.00 1.31 0.00 0.00 55.95 56.52 1s6l s SER 209 Cb -0.25 -2.01 0.00 0.00 0.21 0.00 0.00 66.02 63.97 1s6l s SER 209 CO 0.55 -0.54 0.00 0.54 0.41 0.00 0.00 173.24 174.21 1s6l n ARG 210 N 4.96 0.00 0.39 12.44 3.00 -1.26 -5.00 116.66 131.19 1s6l n ARG 210 Ca -0.10 0.00 -0.15 0.00 -0.01 0.00 0.00 57.85 57.58 1s6l n ARG 210 Cb 0.43 0.00 -0.07 0.00 0.00 0.00 0.00 32.46 32.82 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 0.00 0.00 0.00 0.55 2.02 -2.04 -3.57 112.91 109.87 1s6l h THR 211 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 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