#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 -0.17 0.52 0.00 2.15 -1.26 -5.02 116.67 112.89 1s6l s ASP 22 Ca 0.00 0.19 0.16 0.00 0.43 0.00 0.00 52.55 53.34 1s6l s ASP 22 Cb 0.00 0.14 1.29 0.00 -0.30 0.00 0.00 42.92 44.05 1s6l s ASP 22 CO 0.00 -0.16 2.15 -0.07 -0.17 0.00 0.00 175.17 176.92 1s6l h LEU 23 N 2.28 0.00 0.00 -1.34 3.38 -2.07 -3.48 115.31 114.08 1s6l h LEU 23 Ca -0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.85 1s6l h LEU 23 Cb 1.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.93 1s6l h LEU 23 CO 0.26 0.00 0.00 -0.11 0.09 0.00 0.00 178.44 178.68 1s6l n LEU 24 N -4.52 0.00 -4.12 1.67 7.94 -1.26 -4.89 117.00 111.81 1s6l n LEU 24 Ca -0.03 0.00 -0.35 0.00 -1.11 0.00 0.00 56.01 54.52 1s6l n LEU 24 Cb 0.10 0.00 -0.04 0.00 0.53 0.00 0.00 43.42 44.01 1s6l n LEU 24 CO 0.34 -1.05 -0.30 1.33 -1.11 0.00 0.00 177.39 176.59 1s6l n VAL 25 N -1.21 -2.33 0.33 1.96 0.24 -1.26 -4.82 118.33 111.24 1s6l n VAL 25 Ca 0.00 -0.57 0.15 0.00 -2.04 0.00 0.00 64.34 61.87 1s6l n VAL 25 Cb 0.00 -1.99 0.63 0.00 -1.47 0.00 0.00 33.84 31.01 1s6l n VAL 25 CO 0.00 0.00 0.00 1.55 -2.14 0.00 0.00 176.83 176.24 1s6l h PRO 26 N -2.07 0.00 0.25 7.34 0.13 -2.00 -3.24 132.00 132.41 1s6l h PRO 26 Ca -0.67 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.46 1s6l h PRO 26 Cb 1.39 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.49 1s6l h PRO 26 CO 0.62 0.00 -0.40 1.25 -0.23 0.00 0.00 178.00 179.23 1s6l h LEU 27 N 0.00 -1.15 -1.87 1.56 7.12 -1.99 0.20 115.31 119.18 1s6l h LEU 27 Ca 0.00 0.11 -0.03 0.00 0.13 0.00 0.00 57.88 58.10 1s6l h LEU 27 Cb 0.35 0.41 -0.00 0.00 -0.53 0.00 0.00 40.66 40.88 1s6l h LEU 27 CO 0.00 -0.51 -0.13 0.25 -0.13 0.00 0.00 178.44 177.92 1s6l h LEU 28 N -0.73 0.00 0.20 2.25 5.85 -1.95 0.81 115.31 121.74 1s6l h LEU 28 Ca -0.00 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 1s6l h LEU 28 Cb 0.70 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.73 1s6l h LEU 28 CO -0.15 0.13 -0.09 -0.09 -0.34 0.00 0.00 178.44 177.89 1s6l h ARG 29 N 0.00 -0.25 0.00 1.25 2.43 -1.36 0.33 114.38 116.77 1s6l h ARG 29 Ca -0.00 0.02 -0.13 0.00 -0.81 0.00 0.00 59.98 59.06 1s6l h ARG 29 Cb 0.29 0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.88 1s6l h ARG 29 CO 0.02 0.11 -0.61 0.93 -1.51 0.00 0.00 179.97 178.91 1s6l h GLU 30 N -0.69 0.00 -0.24 0.20 4.39 -0.43 -3.14 114.58 114.68 1s6l h GLU 30 Ca -0.03 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.62 1s6l h GLU 30 Cb 0.48 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.13 1s6l h GLU 30 CO 0.04 0.61 -0.05 1.25 -1.16 0.00 0.00 179.01 179.71 1s6l h LEU 31 N 0.00 0.45 -2.18 1.33 6.46 0.71 -2.66 115.31 119.42 1s6l h LEU 31 Ca -0.01 -0.36 0.04 0.00 -0.12 0.00 0.00 57.88 57.44 1s6l h LEU 31 Cb 1.10 -0.12 -0.01 0.00 -0.73 0.00 0.00 40.66 40.90 1s6l h LEU 31 CO 0.08 0.70 0.28 0.00 -0.62 0.00 0.00 178.44 178.88 1s6l h ALA 32 N 0.76 1.62 0.00 1.25 0.00 -0.29 0.69 119.26 123.30 1s6l h ALA 32 Ca 0.06 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 1s6l h ALA 32 Cb 0.50 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 1s6l h ALA 32 CO 0.02 -0.36 -0.15 -0.22 0.00 0.00 0.00 179.25 178.55 1s6l h LYS 33 N 0.00 0.00 -5.22 0.00 3.11 -1.50 -3.47 116.57 109.49 1s6l h LYS 33 Ca 0.07 0.00 -0.35 0.00 -2.81 0.00 0.00 60.65 57.56 1s6l h LYS 33 Cb 0.63 0.00 0.12 0.00 -1.00 0.00 0.00 32.23 31.98 1s6l h LYS 33 CO -0.00 0.15 -0.60 0.41 -2.81 0.00 0.00 179.45 176.60 1s6l n GLY 34 N 0.08 -0.38 3.29 5.01 0.00 0.24 -5.02 105.19 108.42 1s6l n GLY 34 Ca 0.00 0.14 -0.15 0.00 0.00 0.00 0.00 46.02 46.01 1s6l n GLY 34 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1s6l s ARG 35 N -6.13 1.26 -0.26 1.61 0.52 -1.26 -5.11 118.95 109.58 1s6l s ARG 35 Ca 0.51 -1.64 -0.29 0.00 -0.52 0.00 0.00 55.73 53.79 1s6l s ARG 35 Cb -0.22 -0.40 -0.02 0.00 0.52 0.00 0.00 34.95 34.83 1s6l s ARG 35 CO 0.63 -0.15 1.71 -1.25 0.02 0.00 0.00 175.30 176.25 1s6l s PRO 36 N -3.92 3.59 -0.32 3.54 0.04 -1.26 -4.90 135.00 131.77 1s6l s PRO 36 Ca 0.29 1.58 -0.04 0.00 0.04 0.00 0.00 61.00 62.86 1s6l s PRO 36 Cb 0.06 -4.11 0.04 0.00 0.04 0.00 0.00 34.50 30.53 1s6l s PRO 36 CO 0.08 -1.55 0.05 0.08 0.04 0.00 0.00 177.00 175.70 1s6l s VAL 37 N 5.96 3.37 0.00 -0.36 1.01 -1.26 -5.09 120.40 124.04 1s6l s VAL 37 Ca 0.76 -1.26 0.00 0.00 0.00 0.00 0.00 61.98 61.47 1s6l s VAL 37 Cb -0.24 -2.93 0.00 0.00 0.00 0.00 0.00 36.38 33.21 1s6l s VAL 37 CO 0.32 -0.14 0.00 -1.54 0.00 0.00 0.00 175.10 173.73 1s6l n SER 38 N 4.71 0.00 0.10 3.32 3.41 -1.26 -2.94 113.62 120.96 1s6l n SER 38 Ca -0.13 -0.84 -0.20 0.00 -0.26 0.00 0.00 58.87 57.44 1s6l n SER 38 Cb 0.44 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 64.27 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 0.53 0.00 4.33 0.11 -1.97 -1.38 114.38 116.00 1s6l h ARG 39 Ca 0.00 -0.72 -0.02 0.00 0.10 0.00 0.00 59.98 59.33 1s6l h ARG 39 Cb 0.00 0.24 -0.00 0.00 1.11 0.00 0.00 29.97 31.32 1s6l h ARG 39 CO 0.00 1.32 -0.11 1.79 0.10 0.00 0.00 179.97 183.07 1s6l h THR 40 N 0.23 0.61 0.12 0.08 1.35 -1.96 1.77 112.91 115.11 1s6l h THR 40 Ca -0.17 -0.46 -0.28 0.00 -0.55 0.00 0.00 66.41 64.95 1s6l h THR 40 Cb 1.90 1.29 -0.00 0.00 -1.73 0.00 0.00 68.15 69.61 1s6l h THR 40 CO 0.23 0.11 -1.43 0.74 -0.25 0.00 0.00 175.52 174.91 1s6l h THR 41 N 0.00 1.02 -0.45 6.82 2.02 -1.94 0.98 112.91 121.37 1s6l h THR 41 Ca -0.00 -2.40 -0.04 0.00 0.77 0.00 0.00 66.41 64.74 1s6l h THR 41 Cb 0.28 2.71 -0.02 0.00 -1.74 0.00 0.00 68.15 69.38 1s6l h THR 41 CO 0.01 0.71 0.12 0.25 0.37 0.00 0.00 175.52 176.98 1s6l h LEU 42 N -0.29 0.61 -0.07 2.58 5.85 -0.79 1.85 115.31 125.05 1s6l h LEU 42 Ca -0.31 -0.09 -0.17 0.00 0.84 0.00 0.00 57.88 58.15 1s6l h LEU 42 Cb 1.77 -0.16 0.01 0.00 0.37 0.00 0.00 40.66 42.65 1s6l h LEU 42 CO 0.06 0.60 -0.61 0.00 -0.34 0.00 0.00 178.44 178.15 1s6l h ALA 43 N 1.49 0.18 -0.05 1.25 0.00 0.26 0.61 119.26 123.00 1s6l h ALA 43 Ca 0.15 -0.55 -0.09 0.00 0.00 0.00 0.00 54.91 54.42 1s6l h ALA 43 Cb 0.23 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1s6l h ALA 43 CO -0.01 0.44 -0.39 0.78 0.00 0.00 0.00 179.25 180.08 1s6l h GLY 44 N 0.15 0.11 0.72 0.00 0.00 0.19 0.40 103.07 104.63 1s6l h GLY 44 Ca -0.06 -0.09 -0.18 0.00 0.00 0.00 0.00 47.33 47.01 1s6l h GLY 44 CO 0.12 0.08 -0.75 -2.22 0.00 0.00 0.00 176.54 173.78 1s6l h ILE 45 N 0.08 1.49 0.00 2.60 2.04 0.29 -3.16 117.51 120.84 1s6l h ILE 45 Ca 0.01 -2.40 0.00 0.00 1.00 0.00 0.00 64.86 63.47 1s6l h ILE 45 Cb 0.73 3.02 0.00 0.00 -0.74 0.00 0.00 36.82 39.82 1s6l h ILE 45 CO 0.05 0.68 0.00 0.18 0.00 0.00 0.00 178.15 179.07 1s6l n LEU 46 N -4.15 0.00 -1.80 1.44 4.32 0.20 -4.84 117.00 112.17 1s6l n LEU 46 Ca -0.13 0.49 -0.19 0.00 -0.02 0.00 0.00 56.01 56.16 1s6l n LEU 46 Cb 0.78 -0.49 -0.06 0.00 -1.62 0.00 0.00 43.42 42.03 1s6l n LEU 46 CO 0.48 -0.08 -0.20 -0.67 -1.22 0.00 0.00 177.39 175.70 1s6l n ASP 47 N -1.49 -5.17 -4.86 -1.43 2.03 0.12 -4.94 116.55 100.81 1s6l n ASP 47 Ca 0.06 0.34 -0.37 0.00 0.52 0.00 0.00 54.79 55.34 1s6l n ASP 47 Cb 0.28 -4.52 -0.06 0.00 -0.72 0.00 0.00 41.12 36.10 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 -2.72 3.63 0.30 -0.67 0.23 -0.14 -5.00 118.94 114.58 1s6l s TRP 48 Ca 0.00 0.67 -0.29 0.00 -2.03 0.00 0.00 56.10 54.45 1s6l s TRP 48 Cb 0.00 -2.06 -0.13 0.00 0.03 0.00 0.00 33.47 31.31 1s6l s TRP 48 CO 0.00 0.69 1.38 -2.30 0.96 0.00 0.00 176.95 177.69 1s6l n PRO 49 N 1.99 2.20 0.16 4.98 -0.02 -1.26 -4.57 135.00 138.47 1s6l n PRO 49 Ca -0.18 0.78 0.17 0.00 -2.02 0.00 0.00 63.50 62.25 1s6l n PRO 49 Cb 0.54 -2.42 0.60 0.00 -0.02 0.00 0.00 33.50 32.20 1s6l n PRO 49 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1s6l h ALA 50 N 3.50 1.99 0.09 3.55 0.00 -1.94 0.41 119.26 126.86 1s6l h ALA 50 Ca -0.46 -0.01 -0.26 0.00 0.00 0.00 0.00 54.91 54.17 1s6l h ALA 50 Cb 1.27 0.02 0.01 0.00 0.00 0.00 0.00 17.79 19.09 1s6l h ALA 50 CO 0.70 -0.79 -1.16 1.05 0.00 0.00 0.00 179.25 179.05 1s6l h GLU 51 N 0.00 0.38 -0.54 0.00 4.11 -1.98 -0.85 114.58 115.70 1s6l h GLU 51 Ca 0.15 -0.53 -0.11 0.00 0.07 0.00 0.00 59.36 58.94 1s6l h GLU 51 Cb 1.41 0.18 -0.02 0.00 0.50 0.00 0.00 28.75 30.82 1s6l h GLU 51 CO -0.00 1.21 -0.09 0.00 0.07 0.00 0.00 179.01 180.20 1s6l h ARG 52 N 0.15 1.01 -0.17 1.06 3.08 -0.55 0.31 114.38 119.28 1s6l h ARG 52 Ca -0.13 -0.37 -0.01 0.00 0.07 0.00 0.00 59.98 59.54 1s6l h ARG 52 Cb 1.84 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 31.82 1s6l h ARG 52 CO 0.20 1.05 0.07 0.28 -1.07 0.00 0.00 179.97 180.50 1s6l h VAL 53 N 0.89 1.15 -0.10 2.04 2.07 -1.40 0.82 116.25 121.72 1s6l h VAL 53 Ca 0.14 -0.44 0.04 0.00 0.82 0.00 0.00 66.70 67.26 1s6l h VAL 53 Cb 0.65 1.14 -0.05 0.00 -1.52 0.00 0.00 31.29 31.51 1s6l h VAL 53 CO 0.05 0.14 -0.25 0.00 0.02 0.00 0.00 177.57 177.53 1s6l h ALA 54 N 0.92 -0.26 -0.32 1.67 0.00 -0.76 0.68 119.26 121.19 1s6l h ALA 54 Ca 0.06 0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.04 1s6l h ALA 54 Cb 0.16 0.47 -0.04 0.00 0.00 0.00 0.00 17.79 18.38 1s6l h ALA 54 CO -0.01 -0.72 0.07 0.00 0.00 0.00 0.00 179.25 178.60 1s6l h ALA 55 N 0.59 0.35 -0.14 0.00 0.00 -0.17 -1.20 119.26 118.68 1s6l h ALA 55 Ca 0.09 0.06 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 1s6l h ALA 55 Cb 0.47 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1s6l h ALA 55 CO -0.29 -0.33 -0.13 0.28 0.00 0.00 0.00 179.25 178.77 1s6l h VAL 56 N 0.19 1.18 -0.13 0.00 2.07 -0.16 -2.02 116.25 117.37 1s6l h VAL 56 Ca 0.15 -0.78 -0.01 0.00 0.82 0.00 0.00 66.70 66.88 1s6l h VAL 56 Cb 0.16 1.22 -0.01 0.00 -1.52 0.00 0.00 31.29 31.14 1s6l h VAL 56 CO -0.19 0.24 0.03 0.25 0.02 0.00 0.00 177.57 177.92 1s6l h LEU 57 N 0.22 0.16 -2.59 2.57 5.85 0.16 -0.89 115.31 120.78 1s6l h LEU 57 Ca 0.04 -0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.76 1s6l h LEU 57 Cb 0.37 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.36 1s6l h LEU 57 CO 0.02 0.17 0.10 -0.08 -0.34 0.00 0.00 178.44 178.31 1s6l h GLU 58 N 0.18 0.00 0.00 1.25 4.81 -0.93 0.77 114.58 120.66 1s6l h GLU 58 Ca 0.05 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 1s6l h GLU 58 Cb 0.08 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.46 1s6l h GLU 58 CO -0.00 0.00 -1.58 1.04 -0.73 0.00 0.00 179.01 177.74 1s6l n GLN 59 N -3.29 0.61 -1.24 1.92 6.02 -0.35 -4.15 117.38 116.90 1s6l n GLN 59 Ca -0.02 -0.07 -0.26 0.00 -0.01 0.00 0.00 57.00 56.64 1s6l n GLN 59 Cb 0.18 -1.63 0.16 0.00 1.02 0.00 0.00 30.24 29.96 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 -2.20 5.73 0.41 -1.58 0.00 0.24 -4.48 120.51 118.64 1s6l n ALA 60 Ca -0.02 -2.98 0.10 0.00 0.00 0.00 0.00 53.44 50.54 1s6l n ALA 60 Cb 0.55 -1.51 0.43 0.00 0.00 0.00 0.00 19.45 18.92 1s6l n ALA 60 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1s6l n THR 61 N -1.08 0.91 0.06 0.00 -2.24 -1.08 -2.21 114.28 108.64 1s6l n THR 61 Ca 0.60 0.26 0.05 0.00 -2.27 0.00 0.00 64.05 62.69 1s6l n THR 61 Cb 1.46 -1.13 -0.05 0.00 -2.10 0.00 0.00 70.33 68.50 1s6l n THR 61 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1s6l n SER 62 N -1.98 0.79 -4.71 3.42 3.41 -1.26 -4.93 113.62 108.36 1s6l n SER 62 Ca 0.02 0.33 -0.42 0.00 -0.26 0.00 0.00 58.87 58.54 1s6l n SER 62 Cb 0.20 0.41 0.00 0.00 -0.26 0.00 0.00 64.21 64.56 1s6l n SER 62 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1s6l n THR 63 N -2.76 2.26 -2.63 6.66 -1.04 -0.94 -4.93 114.28 110.90 1s6l n THR 63 Ca -0.06 -0.50 -0.42 0.00 -2.04 0.00 0.00 64.05 61.03 1s6l n THR 63 Cb 0.71 -1.60 -0.03 0.00 -1.82 0.00 0.00 70.33 67.59 1s6l n THR 63 CO 0.00 0.00 0.00 -0.70 -0.64 0.00 0.00 175.07 173.73 1s6l s GLU 64 N -2.05 4.45 0.48 -2.82 -6.30 -1.26 -5.05 118.70 106.14 1s6l s GLU 64 Ca 0.58 1.48 0.08 0.00 -2.50 0.00 0.00 54.97 54.61 1s6l s GLU 64 Cb -0.53 -3.51 0.03 0.00 0.00 0.00 0.00 34.13 30.12 1s6l s GLU 64 CO 0.60 -0.26 0.59 0.71 0.02 0.00 0.00 175.26 176.92 1s6l s TYR 65 N 1.71 2.28 -0.07 5.30 2.02 -1.26 -3.09 117.35 124.24 1s6l s TYR 65 Ca 0.51 -0.55 -0.19 0.00 -0.37 0.00 0.00 57.07 56.48 1s6l s TYR 65 Cb -0.21 -2.25 0.04 0.00 -0.40 0.00 0.00 41.96 39.14 1s6l s TYR 65 CO 0.22 -0.59 0.43 0.34 -1.57 0.00 0.00 175.55 174.39 1s6l s ASP 66 N -4.40 -0.38 1.08 2.29 -1.08 -0.67 -4.82 116.67 108.69 1s6l s ASP 66 Ca 0.54 0.47 0.00 0.00 -0.52 0.00 0.00 52.55 53.04 1s6l s ASP 66 Cb -0.07 0.54 0.00 0.00 -1.46 0.00 0.00 42.92 41.94 1s6l s ASP 66 CO 0.33 -0.40 0.00 1.17 0.52 0.00 0.00 175.17 176.79 1s6l n LYS 67 N 1.65 0.00 0.01 4.34 3.00 -1.26 -1.86 118.16 124.04 1s6l n LYS 67 Ca -0.19 0.00 0.12 0.00 -0.00 0.00 0.00 58.31 58.25 1s6l n LYS 67 Cb 0.56 0.00 0.27 0.00 0.00 0.00 0.00 35.03 35.86 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 9.16 0.49 0.00 3.14 8.00 -1.26 -4.89 116.55 131.18 1s6l n ASP 68 Ca 0.00 -0.09 0.00 0.00 0.71 0.00 0.00 54.79 55.41 1s6l n ASP 68 Cb 0.00 0.16 0.00 0.00 -0.02 0.00 0.00 41.12 41.26 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 1.46 1.90 3.93 0.44 0.00 -0.78 -5.14 105.19 107.00 1s6l n GLY 69 Ca 0.05 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.82 1s6l n GLY 69 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1s6l s ASN 70 N -1.90 5.10 -0.22 1.61 0.01 -1.01 -4.68 114.94 113.86 1s6l s ASN 70 Ca 0.00 0.47 -0.29 0.00 -0.71 0.00 0.00 52.86 52.33 1s6l s ASN 70 Cb 0.00 -1.25 0.01 0.00 0.41 0.00 0.00 41.25 40.42 1s6l s ASN 70 CO 0.00 -1.39 1.05 -0.63 -1.51 0.00 0.00 177.10 174.63 1s6l s ILE 71 N -3.11 4.66 -0.10 0.60 1.09 -1.15 -1.68 121.20 121.51 1s6l s ILE 71 Ca 0.58 1.99 0.11 0.00 -1.10 0.00 0.00 60.65 62.23 1s6l s ILE 71 Cb -0.11 -4.29 -0.16 0.00 -1.06 0.00 0.00 42.46 36.85 1s6l s ILE 71 CO 0.44 -0.16 0.09 0.00 -0.10 0.00 0.00 174.94 175.21 1s6l n ILE 72 N 5.27 0.66 -2.97 2.92 3.06 -1.18 -4.41 119.36 122.71 1s6l n ILE 72 Ca 0.12 -0.46 0.00 0.00 -2.50 0.00 0.00 62.75 59.90 1s6l n ILE 72 Cb 0.46 -0.50 0.00 0.00 0.54 0.00 0.00 39.64 40.14 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 2.16 -1.10 3.15 4.50 0.00 -1.25 -4.86 105.19 107.80 1s6l n GLY 73 Ca -0.16 -1.42 0.01 0.00 0.00 0.00 0.00 46.02 44.46 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 -1.56 0.00 1.61 5.04 -1.26 -4.71 117.35 116.48 1s6l s TYR 74 Ca 0.00 0.29 0.00 0.00 -2.44 0.00 0.00 57.07 54.92 1s6l s TYR 74 Cb 0.00 0.28 0.00 0.00 0.35 0.00 0.00 41.96 42.59 1s6l s TYR 74 CO 0.00 -1.04 0.00 0.41 -1.34 0.00 0.00 175.55 173.58 1s6l n GLY 75 N 4.41 0.00 3.83 8.97 0.00 -1.26 -5.09 105.19 116.04 1s6l n GLY 75 Ca 0.10 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.79 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 -4.24 3.92 0.11 0.99 2.01 -1.26 -4.75 118.68 115.46 1s6l s LEU 76 Ca 0.00 1.62 0.01 0.00 0.01 0.00 0.00 54.13 55.78 1s6l s LEU 76 Cb 0.00 -4.48 -0.04 0.00 0.01 0.00 0.00 46.19 41.69 1s6l s LEU 76 CO 0.00 -0.37 0.24 0.28 1.01 0.00 0.00 176.35 177.51 1s6l s THR 77 N -2.21 5.31 0.08 5.49 -1.32 -1.26 -5.03 115.64 116.70 1s6l s THR 77 Ca 0.61 -0.57 -0.19 0.00 -1.21 0.00 0.00 61.69 60.33 1s6l s THR 77 Cb -0.09 -3.66 -0.09 0.00 -1.51 0.00 0.00 72.50 67.14 1s6l s THR 77 CO 0.16 0.02 1.49 0.25 -2.21 0.00 0.00 174.62 174.32 1s6l h LEU 78 N 2.60 0.43 -9.67 9.08 6.46 -2.01 -3.44 115.31 118.76 1s6l h LEU 78 Ca -0.47 -0.34 -0.64 0.00 -0.12 0.00 0.00 57.88 56.31 1s6l h LEU 78 Cb 1.18 -0.12 -0.08 0.00 -0.73 0.00 0.00 40.66 40.91 1s6l h LEU 78 CO 0.72 0.67 -0.56 0.00 -0.62 0.00 0.00 178.44 178.64 1s6l s ARG 79 N -4.86 3.11 0.24 1.25 1.70 -1.26 -5.06 118.95 114.07 1s6l s ARG 79 Ca -0.14 -0.52 -0.31 0.00 -0.47 0.00 0.00 55.73 54.29 1s6l s ARG 79 Cb 0.07 -2.88 -0.12 0.00 -0.57 0.00 0.00 34.95 31.45 1s6l s ARG 79 CO 0.75 0.62 1.66 -1.91 -1.08 0.00 0.00 175.30 175.34 1s6l n GLU 80 N 0.78 2.70 -2.37 3.89 2.13 -1.26 -5.00 120.64 121.50 1s6l n GLU 80 Ca -0.10 0.97 -0.10 0.00 0.66 0.00 0.00 57.16 58.59 1s6l n GLU 80 Cb 0.52 -2.78 -0.00 0.00 0.27 0.00 0.00 31.44 29.45 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 3.15 0.00 -0.04 6.31 -2.24 -1.26 -5.07 114.28 115.12 1s6l n THR 81 Ca 0.13 -0.81 -0.15 0.00 -2.27 0.00 0.00 64.05 60.94 1s6l n THR 81 Cb 0.35 -0.32 -0.14 0.00 -2.10 0.00 0.00 70.33 68.13 1s6l n THR 81 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1s6l n SER 82 N -1.93 1.43 -4.60 3.42 3.41 -1.26 -4.82 113.62 109.28 1s6l n SER 82 Ca -0.01 0.17 -0.43 0.00 -0.26 0.00 0.00 58.87 58.34 1s6l n SER 82 Cb 0.23 -0.28 -0.02 0.00 -0.26 0.00 0.00 64.21 63.89 1s6l n SER 82 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 1s6l s TYR 83 N -2.55 2.72 -0.11 7.33 2.02 -1.26 -4.59 117.35 120.91 1s6l s TYR 83 Ca -0.18 0.68 -0.04 0.00 -0.37 0.00 0.00 57.07 57.17 1s6l s TYR 83 Cb 0.07 -4.43 -0.03 0.00 -0.40 0.00 0.00 41.96 37.17 1s6l s TYR 83 CO 0.76 -1.42 0.03 0.08 -1.57 0.00 0.00 175.55 173.43 1s6l s VAL 84 N 4.68 4.53 -0.25 0.71 1.01 -0.25 -1.43 120.40 129.41 1s6l s VAL 84 Ca 0.50 -0.15 -0.02 0.00 0.00 0.00 0.00 61.98 62.31 1s6l s VAL 84 Cb -0.08 -2.95 0.08 0.00 0.00 0.00 0.00 36.38 33.43 1s6l s VAL 84 CO 0.32 0.58 0.05 0.12 0.00 0.00 0.00 175.10 176.16 1s6l s PHE 85 N -0.60 1.45 -0.15 5.22 2.19 -0.18 -0.22 117.98 125.69 1s6l s PHE 85 Ca 0.10 -1.32 -0.07 0.00 0.33 0.00 0.00 56.93 55.98 1s6l s PHE 85 Cb -0.12 -1.36 -0.04 0.00 -1.31 0.00 0.00 43.02 40.19 1s6l s PHE 85 CO 0.02 -0.74 0.09 -1.21 1.83 0.00 0.00 175.22 175.21 1s6l s GLU 86 N 1.71 3.64 -0.03 10.12 2.02 0.32 0.15 118.70 136.63 1s6l s GLU 86 Ca 0.03 -0.27 -0.01 0.00 0.02 0.00 0.00 54.97 54.75 1s6l s GLU 86 Cb -0.17 -3.16 0.03 0.00 0.10 0.00 0.00 34.13 30.93 1s6l s GLU 86 CO -0.15 0.53 0.04 0.96 0.02 0.00 0.00 175.26 176.66 1s6l s ILE 87 N -0.34 -0.08 0.00 -1.63 -4.36 -0.26 0.12 121.20 114.65 1s6l s ILE 87 Ca 0.10 0.29 0.00 0.00 -0.26 0.00 0.00 60.65 60.78 1s6l s ILE 87 Cb -0.12 -0.11 0.00 0.00 1.25 0.00 0.00 42.46 43.48 1s6l s ILE 87 CO 0.01 0.12 0.00 -0.67 0.24 0.00 0.00 174.94 174.65 1s6l n ASP 88 N 4.57 0.00 -2.31 4.36 2.03 -1.26 -1.47 116.55 122.47 1s6l n ASP 88 Ca -0.19 0.00 -0.03 0.00 0.52 0.00 0.00 54.79 55.09 1s6l n ASP 88 Cb 0.50 0.00 0.08 0.00 -0.72 0.00 0.00 41.12 40.98 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 0.63 -1.09 -3.96 1.67 -0.08 -1.26 -5.12 116.55 107.34 1s6l n ASP 89 Ca 0.00 -2.15 -0.10 0.00 -1.51 0.00 0.00 54.79 51.03 1s6l n ASP 89 Cb 0.00 0.50 -0.11 0.00 2.34 0.00 0.00 41.12 43.85 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 -0.20 0.28 -0.73 -0.67 1.81 -0.54 -5.11 118.95 113.79 1s6l s ARG 90 Ca 0.09 -0.52 -0.02 0.00 -1.72 0.00 0.00 55.73 53.56 1s6l s ARG 90 Cb 0.35 0.10 0.18 0.00 -0.45 0.00 0.00 34.95 35.13 1s6l s ARG 90 CO -0.10 -0.05 0.58 -0.98 -0.68 0.00 0.00 175.30 174.07 1s6l s ARG 91 N -1.27 2.85 0.85 3.54 3.03 -1.26 -1.10 118.95 125.59 1s6l s ARG 91 Ca -0.14 -2.85 -0.11 0.00 2.03 0.00 0.00 55.73 54.65 1s6l s ARG 91 Cb -0.09 -3.82 0.10 0.00 -1.03 0.00 0.00 34.95 30.12 1s6l s ARG 91 CO -0.01 -1.22 1.09 -1.17 -1.13 0.00 0.00 175.30 172.87 1s6l s LEU 92 N -0.61 2.42 0.19 -1.89 2.96 0.39 -4.86 118.68 117.28 1s6l s LEU 92 Ca 0.21 1.44 0.02 0.00 -0.22 0.00 0.00 54.13 55.58 1s6l s LEU 92 Cb -0.15 -3.94 -0.05 0.00 0.50 0.00 0.00 46.19 42.55 1s6l s LEU 92 CO -0.07 -2.37 0.01 -0.31 -1.32 0.00 0.00 176.35 172.29 1s6l s TYR 93 N -3.01 1.29 0.21 5.38 2.02 -1.26 -1.01 117.35 120.97 1s6l s TYR 93 Ca 0.62 -1.02 -0.12 0.00 -0.37 0.00 0.00 57.07 56.17 1s6l s TYR 93 Cb -0.17 -0.74 0.00 0.00 -0.40 0.00 0.00 41.96 40.66 1s6l s TYR 93 CO 0.56 -0.20 0.42 0.00 -1.57 0.00 0.00 175.55 174.76 1s6l s ALA 94 N -3.64 -0.30 -0.90 3.71 0.00 -0.51 -4.54 121.76 115.58 1s6l s ALA 94 Ca 0.26 -0.74 0.20 0.00 0.00 0.00 0.00 51.96 51.68 1s6l s ALA 94 Cb 0.06 0.96 -0.22 0.00 0.00 0.00 0.00 23.12 23.92 1s6l s ALA 94 CO 0.06 -0.77 0.83 0.91 0.00 0.00 0.00 175.76 176.78 1s6l n TRP 95 N -0.32 0.00 -3.64 0.00 7.02 -1.26 -4.15 117.44 115.09 1s6l n TRP 95 Ca -0.05 0.00 -0.10 0.00 -1.02 0.00 0.00 57.50 56.32 1s6l n TRP 95 Cb 0.62 -0.03 -0.05 0.00 -2.42 0.00 0.00 31.31 29.44 1s6l n TRP 95 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1s6l h ALA 97 N 2.38 1.75 0.00 0.00 0.00 -1.93 -1.77 119.26 119.69 1s6l h ALA 97 Ca -0.34 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.44 1s6l h ALA 97 Cb 1.25 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.04 1s6l h ALA 97 CO 0.47 -0.56 -0.70 1.25 0.00 0.00 0.00 179.25 179.72 1s6l h LEU 98 N 0.00 0.00 -1.69 0.00 7.12 -1.95 -3.36 115.31 115.44 1s6l h LEU 98 Ca 0.10 -0.61 0.35 0.00 0.13 0.00 0.00 57.88 57.84 1s6l h LEU 98 Cb 1.00 0.00 -0.05 0.00 -0.53 0.00 0.00 40.66 41.08 1s6l h LEU 98 CO -0.00 1.21 1.04 0.44 -0.13 0.00 0.00 178.44 181.00 1s6l h ASP 99 N -1.00 0.00 -0.91 1.25 3.32 -1.71 0.51 116.42 117.87 1s6l h ASP 99 Ca -0.18 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.87 1s6l h ASP 99 Cb 1.07 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.57 1s6l h ASP 99 CO -0.11 0.00 0.59 0.71 -1.72 0.00 0.00 179.24 178.71 1s6l h THR 100 N 0.00 1.24 -4.82 0.35 1.35 -1.68 -3.44 112.91 105.91 1s6l h THR 100 Ca 0.57 -0.47 -0.29 0.00 -0.55 0.00 0.00 66.41 65.67 1s6l h THR 100 Cb 2.65 -0.09 0.05 0.00 -1.73 0.00 0.00 68.15 69.03 1s6l h THR 100 CO -0.01 0.24 0.06 0.18 -0.25 0.00 0.00 175.52 175.74 1s6l n LEU 101 N -4.38 0.00 0.00 3.87 4.77 0.18 -4.78 117.00 116.65 1s6l n LEU 101 Ca 0.10 -1.36 0.00 0.00 -0.03 0.00 0.00 56.01 54.72 1s6l n LEU 101 Cb 0.03 -0.39 0.00 0.00 -2.33 0.00 0.00 43.42 40.73 1s6l n LEU 101 CO 0.37 -0.78 0.00 0.00 -1.33 0.00 0.00 177.39 175.65 1s6l n ILE 102 N -2.24 0.00 -2.69 -0.08 0.13 -1.26 -5.02 119.36 108.21 1s6l n ILE 102 Ca 0.10 0.00 -0.05 0.00 -1.10 0.00 0.00 62.75 61.70 1s6l n ILE 102 Cb 0.37 0.00 0.09 0.00 -0.84 0.00 0.00 39.64 39.26 1s6l n ILE 102 CO 0.00 0.00 0.00 0.49 2.80 0.00 0.00 176.55 179.84 1s6l n PHE 103 N -0.88 -1.25 -0.29 9.51 3.72 -1.26 -5.02 117.46 121.98 1s6l n PHE 103 Ca 0.00 -1.07 -0.04 0.00 -0.05 0.00 0.00 57.45 56.29 1s6l n PHE 103 Cb 0.00 1.27 0.08 0.00 -0.94 0.00 0.00 39.48 39.88 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 2.95 1.05 0.00 -1.08 0.11 -1.90 0.61 132.00 133.73 1s6l h PRO 104 Ca -0.23 -0.06 -0.08 0.00 0.11 0.00 0.00 66.00 65.74 1s6l h PRO 104 Cb 1.17 -0.24 -0.01 0.00 0.11 0.00 0.00 31.00 32.03 1s6l h PRO 104 CO -0.01 0.70 -0.37 0.00 -0.21 0.00 0.00 178.00 178.10 1s6l h ALA 105 N 1.30 0.78 0.16 -0.75 0.00 -1.80 -3.27 119.26 115.67 1s6l h ALA 105 Ca 0.30 -0.34 -0.34 0.00 0.00 0.00 0.00 54.91 54.53 1s6l h ALA 105 Cb -0.11 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.62 1s6l h ALA 105 CO -0.07 0.47 -1.68 1.25 0.00 0.00 0.00 179.25 179.22 1s6l h LEU 106 N 0.00 0.53 -0.50 0.00 7.12 -1.80 -3.36 115.31 117.31 1s6l h LEU 106 Ca -0.00 -0.78 0.04 0.00 0.13 0.00 0.00 57.88 57.27 1s6l h LEU 106 Cb 1.24 -0.17 -0.04 0.00 -0.53 0.00 0.00 40.66 41.15 1s6l h LEU 106 CO 0.05 1.66 0.25 -0.29 -0.13 0.00 0.00 178.44 179.98 1s6l h ILE 107 N 0.09 0.95 0.00 4.05 6.09 0.12 -3.47 117.51 125.35 1s6l h ILE 107 Ca -0.31 -0.17 0.00 0.00 -1.37 0.00 0.00 64.86 63.01 1s6l h ILE 107 Cb 2.07 0.42 0.00 0.00 0.47 0.00 0.00 36.82 39.78 1s6l h ILE 107 CO 0.17 0.09 0.00 0.61 -3.07 0.00 0.00 178.15 175.95 1s6l n GLY 108 N -1.25 1.17 3.55 8.18 0.00 -1.23 -5.09 105.19 110.52 1s6l n GLY 108 Ca 0.04 -0.17 -0.11 0.00 0.00 0.00 0.00 46.02 45.78 1s6l n GLY 108 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1s6l s ARG 109 N -0.73 1.71 0.52 1.61 1.81 -1.26 -5.06 118.95 117.55 1s6l s ARG 109 Ca 0.00 -1.47 -0.13 0.00 -1.72 0.00 0.00 55.73 52.41 1s6l s ARG 109 Cb 0.00 0.46 -0.06 0.00 -0.45 0.00 0.00 34.95 34.90 1s6l s ARG 109 CO 0.00 -0.71 0.95 0.99 -0.68 0.00 0.00 175.30 175.85 1s6l s THR 110 N -3.56 4.65 -0.19 0.02 2.01 -1.26 -4.33 115.64 112.99 1s6l s THR 110 Ca 0.26 0.94 -0.04 0.00 0.31 0.00 0.00 61.69 63.16 1s6l s THR 110 Cb -0.00 -3.78 0.06 0.00 0.01 0.00 0.00 72.50 68.79 1s6l s THR 110 CO 0.13 -0.80 0.06 0.00 -0.69 0.00 0.00 174.62 173.32 1s6l s ALA 111 N -2.75 0.77 -0.23 7.40 0.00 0.34 -4.12 121.76 123.16 1s6l s ALA 111 Ca 0.56 -0.54 -0.28 0.00 0.00 0.00 0.00 51.96 51.70 1s6l s ALA 111 Cb -0.10 -1.12 0.01 0.00 0.00 0.00 0.00 23.12 21.90 1s6l s ALA 111 CO 0.39 -1.18 0.99 1.03 0.00 0.00 0.00 175.76 176.99 1s6l s ARG 112 N 1.97 4.24 -0.17 0.00 0.52 0.33 0.15 118.95 125.99 1s6l s ARG 112 Ca 0.00 1.25 -0.03 0.00 -0.52 0.00 0.00 55.73 56.44 1s6l s ARG 112 Cb -0.17 -3.64 -0.02 0.00 0.52 0.00 0.00 34.95 31.64 1s6l s ARG 112 CO -0.08 -0.60 -0.06 0.08 0.02 0.00 0.00 175.30 174.66 1s6l s VAL 113 N 3.09 3.54 -0.04 3.52 1.01 0.27 0.12 120.40 131.92 1s6l s VAL 113 Ca 0.42 -0.47 0.06 0.00 0.00 0.00 0.00 61.98 61.99 1s6l s VAL 113 Cb -0.15 -2.55 -0.01 0.00 0.00 0.00 0.00 36.38 33.66 1s6l s VAL 113 CO 0.06 0.48 -0.22 -0.44 0.00 0.00 0.00 175.10 174.98 1s6l s SER 114 N 0.66 2.70 0.25 3.32 0.01 0.69 0.12 113.70 121.45 1s6l s SER 114 Ca -0.03 -0.43 -0.00 0.00 1.31 0.00 0.00 55.95 56.79 1s6l s SER 114 Cb -0.15 -0.53 -0.03 0.00 0.21 0.00 0.00 66.02 65.52 1s6l s SER 114 CO 0.02 0.24 0.22 -0.44 0.41 0.00 0.00 173.24 173.70 1s6l s SER 115 N -0.31 0.56 -0.03 2.44 0.01 0.44 -1.09 113.70 115.73 1s6l s SER 115 Ca 0.02 -1.45 0.02 0.00 1.31 0.00 0.00 55.95 55.85 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 0.01 -0.95 -0.06 -1.00 0.41 0.00 0.00 173.24 171.66 1s6l s HIS 116 N -3.90 0.72 0.21 2.43 3.76 -1.26 0.11 115.29 117.36 1s6l s HIS 116 Ca 0.38 -0.18 -0.31 0.00 -0.15 0.00 0.00 55.06 54.80 1s6l s HIS 116 Cb 0.05 -0.58 -0.11 0.00 1.11 0.00 0.00 32.58 33.05 1s6l s HIS 116 CO 0.16 -0.13 1.59 0.00 -0.85 0.00 0.00 174.74 175.51 1s6l n ALA 118 N 3.35 2.01 0.01 0.00 0.00 -1.26 -0.53 120.51 124.09 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 0.38 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.55 1s6l n ALA 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1s6l n ALA 119 N -1.18 3.00 0.07 0.00 0.00 -1.26 -4.80 120.51 116.34 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 0.40 -0.04 0.00 0.00 0.00 0.00 19.45 19.91 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 0.48 0.00 0.00 2.02 -1.94 -3.47 112.91 110.00 1s6l h THR 120 Ca 0.00 -1.86 0.00 0.00 0.77 0.00 0.00 66.41 65.32 1s6l h THR 120 Cb 0.75 2.03 0.00 0.00 -1.74 0.00 0.00 68.15 69.19 1s6l h THR 120 CO 0.00 0.28 0.00 0.61 0.37 0.00 0.00 175.52 176.78 1s6l n GLY 121 N 1.32 0.53 3.71 2.16 0.00 0.30 -4.93 105.19 108.29 1s6l n GLY 121 Ca -0.05 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.61 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 0.71 -2.65 4.61 0.00 -1.26 -4.36 120.51 118.56 1s6l n ALA 122 Ca 0.00 -0.13 -0.43 0.00 0.00 0.00 0.00 53.44 52.89 1s6l n ALA 122 Cb 0.08 -2.30 -0.04 0.00 0.00 0.00 0.00 19.45 17.19 1s6l n ALA 122 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1s6l s PRO 123 N -3.66 3.34 -0.03 0.00 0.05 -1.26 -1.36 135.00 132.09 1s6l s PRO 123 Ca 0.79 -0.20 -0.05 0.00 0.05 0.00 0.00 61.00 61.60 1s6l s PRO 123 Cb -0.35 -4.07 -0.04 0.00 0.05 0.00 0.00 34.50 30.10 1s6l s PRO 123 CO 0.44 -1.60 0.20 0.14 0.05 0.00 0.00 177.00 176.23 1s6l s VAL 124 N 4.29 5.42 -0.13 -0.36 -7.23 0.30 -4.60 120.40 118.07 1s6l s VAL 124 Ca 0.33 0.00 -0.15 0.00 -1.81 0.00 0.00 61.98 60.35 1s6l s VAL 124 Cb -0.11 -3.52 0.04 0.00 0.56 0.00 0.00 36.38 33.35 1s6l s VAL 124 CO 0.20 0.40 0.41 -0.94 -0.31 0.00 0.00 175.10 174.86 1s6l s SER 125 N -1.69 -0.41 0.04 4.85 1.04 0.31 0.17 113.70 118.01 1s6l s SER 125 Ca 0.25 0.74 0.01 0.00 0.48 0.00 0.00 55.95 57.42 1s6l s SER 125 Cb -0.13 0.77 -0.03 0.00 0.10 0.00 0.00 66.02 66.74 1s6l s SER 125 CO 0.15 -0.20 -0.05 -0.76 0.98 0.00 0.00 173.24 173.36 1s6l s LEU 126 N -0.03 2.30 -0.30 2.42 1.02 0.33 -1.34 118.68 123.07 1s6l s LEU 126 Ca -0.02 -0.62 -0.08 0.00 0.02 0.00 0.00 54.13 53.43 1s6l s LEU 126 Cb -0.03 0.03 0.00 0.00 0.02 0.00 0.00 46.19 46.21 1s6l s LEU 126 CO 0.01 -0.33 0.11 -0.89 0.02 0.00 0.00 176.35 175.27 1s6l s THR 127 N -1.93 4.22 -0.40 5.49 2.01 -0.68 0.97 115.64 125.32 1s6l s THR 127 Ca -0.09 -0.58 -0.17 0.00 0.31 0.00 0.00 61.69 61.16 1s6l s THR 127 Cb -0.06 -3.16 0.01 0.00 0.01 0.00 0.00 72.50 69.29 1s6l s THR 127 CO -0.02 0.08 0.44 -0.69 -0.69 0.00 0.00 174.62 173.74 1s6l s VAL 128 N 1.55 5.08 0.51 3.82 1.01 0.39 -2.32 120.40 130.43 1s6l s VAL 128 Ca 0.03 -0.15 0.07 0.00 0.00 0.00 0.00 61.98 61.93 1s6l s VAL 128 Cb -0.17 -3.99 0.03 0.00 0.00 0.00 0.00 36.38 32.25 1s6l s VAL 128 CO 0.04 -0.33 0.47 -0.44 0.00 0.00 0.00 175.10 174.84 1s6l s SER 129 N 1.80 4.86 0.30 3.32 0.01 0.11 0.13 113.70 124.22 1s6l s SER 129 Ca 0.13 -1.01 0.25 0.00 1.31 0.00 0.00 55.95 56.64 1s6l s SER 129 Cb -0.17 0.08 1.02 0.00 0.21 0.00 0.00 66.02 67.16 1s6l s SER 129 CO 0.13 -1.01 1.76 -0.65 0.41 0.00 0.00 173.24 173.89 1s6l h PRO 130 N 0.73 0.00 0.00 12.44 0.11 -1.75 -3.28 132.00 140.24 1s6l h PRO 130 Ca -0.37 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.73 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 0.54 0.00 -1.06 0.45 -0.21 0.00 0.00 178.00 177.72 1s6l n SER 131 N -2.37 4.74 0.00 -2.05 2.88 -1.26 -4.57 113.62 110.99 1s6l n SER 131 Ca 0.02 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.56 1s6l n SER 131 Cb 0.26 0.75 0.00 0.00 -0.75 0.00 0.00 64.21 64.47 1s6l n SER 131 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 1s6l n GLU 132 N -1.82 -0.22 -3.38 -1.46 0.28 -1.24 -5.16 120.64 107.64 1s6l n GLU 132 Ca -0.01 0.00 -0.27 0.00 -0.16 0.00 0.00 57.16 56.72 1s6l n GLU 132 Cb 0.32 0.00 -0.02 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 5.07 0.00 3.84 -4.36 -1.25 0.04 121.20 121.54 1s6l s ILE 133 Ca 0.00 -0.16 0.00 0.00 -0.26 0.00 0.00 60.65 60.23 1s6l s ILE 133 Cb 0.00 -3.78 0.00 0.00 1.25 0.00 0.00 42.46 39.93 1s6l s ILE 133 CO 0.00 -0.39 0.86 1.67 0.24 0.00 0.00 174.94 177.32 1s6l n GLN 134 N -1.21 0.00 -2.82 0.37 -0.06 -0.98 -4.91 117.38 107.77 1s6l n GLN 134 Ca -0.03 -0.80 -0.00 0.00 -2.00 0.00 0.00 57.00 54.16 1s6l n GLN 134 Cb 0.55 -0.43 0.01 0.00 -4.06 0.00 0.00 30.24 26.30 1s6l n GLN 134 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1s6l s ALA 135 N 0.00 -3.87 -0.32 1.69 0.00 -1.26 -4.88 121.76 113.11 1s6l s ALA 135 Ca 0.00 0.75 -0.11 0.00 0.00 0.00 0.00 51.96 52.60 1s6l s ALA 135 Cb 0.00 -2.93 -0.01 0.00 0.00 0.00 0.00 23.12 20.17 1s6l s ALA 135 CO 0.00 -2.43 0.19 0.08 0.00 0.00 0.00 175.76 173.60 1s6l s VAL 136 N 1.58 4.92 -0.12 0.00 1.01 -1.26 -1.68 120.40 124.86 1s6l s VAL 136 Ca 0.19 -0.30 -0.05 0.00 0.00 0.00 0.00 61.98 61.82 1s6l s VAL 136 Cb 0.04 -3.51 0.06 0.00 0.00 0.00 0.00 36.38 32.97 1s6l s VAL 136 CO -0.11 0.05 0.24 -1.61 0.00 0.00 0.00 175.10 173.67 1s6l s GLU 137 N 1.67 0.14 0.74 2.72 2.02 -0.45 -3.64 118.70 121.90 1s6l s GLU 137 Ca 0.05 0.67 -0.11 0.00 0.02 0.00 0.00 54.97 55.61 1s6l s GLU 137 Cb -0.17 -0.08 0.04 0.00 0.10 0.00 0.00 34.13 34.01 1s6l s GLU 137 CO 0.08 -0.26 1.08 -1.25 0.02 0.00 0.00 175.26 174.93 1s6l s PRO 138 N 2.14 2.53 -1.15 0.39 0.04 -1.26 -0.53 135.00 137.16 1s6l s PRO 138 Ca -0.01 1.06 -0.22 0.00 0.04 0.00 0.00 61.00 61.87 1s6l s PRO 138 Cb -0.12 -1.94 -0.08 0.00 0.04 0.00 0.00 34.50 32.40 1s6l s PRO 138 CO -0.08 -1.42 1.92 0.00 0.04 0.00 0.00 177.00 177.46 1s6l n ALA 139 N -3.36 2.13 0.00 8.56 0.00 -1.24 -2.32 120.51 124.28 1s6l n ALA 139 Ca 0.08 -3.12 0.00 0.00 0.00 0.00 0.00 53.44 50.40 1s6l n ALA 139 Cb 0.53 -3.51 0.00 0.00 0.00 0.00 0.00 19.45 16.48 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 5.60 -0.22 3.66 0.00 0.00 -1.26 -5.15 105.19 107.83 1s6l n GLY 140 Ca 0.46 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 46.14 1s6l n GLY 140 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1s6l n MET 141 N 0.00 0.30 -4.31 1.61 3.85 -0.98 -3.78 117.12 113.82 1s6l n MET 141 Ca 0.00 0.17 -0.23 0.00 -1.00 0.00 0.00 57.70 56.64 1s6l n MET 141 Cb 0.00 -2.36 -0.12 0.00 -1.05 0.00 0.00 33.22 29.69 1s6l n MET 141 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1s6l s ALA 142 N -2.01 1.90 0.09 3.17 0.00 0.31 -3.64 121.76 121.58 1s6l s ALA 142 Ca 0.73 -1.34 0.07 0.00 0.00 0.00 0.00 51.96 51.42 1s6l s ALA 142 Cb -0.31 -0.23 -0.04 0.00 0.00 0.00 0.00 23.12 22.55 1s6l s ALA 142 CO 0.51 0.32 -0.10 0.08 0.00 0.00 0.00 175.76 176.57 1s6l s VAL 143 N -1.48 3.36 0.00 0.00 1.01 0.44 0.24 120.40 123.97 1s6l s VAL 143 Ca 0.10 -1.23 0.08 0.00 0.00 0.00 0.00 61.98 60.93 1s6l s VAL 143 Cb -0.08 -2.56 -0.02 0.00 0.00 0.00 0.00 36.38 33.72 1s6l s VAL 143 CO 0.05 0.14 -0.25 -0.44 0.00 0.00 0.00 175.10 174.60 1s6l s SER 144 N -2.12 3.00 0.32 3.32 0.01 0.35 0.57 113.70 119.15 1s6l s SER 144 Ca 0.21 -0.50 -0.02 0.00 1.31 0.00 0.00 55.95 56.95 1s6l s SER 144 Cb -0.11 -0.31 -0.01 0.00 0.21 0.00 0.00 66.02 65.80 1s6l s SER 144 CO 0.13 0.29 0.42 -1.48 0.41 0.00 0.00 173.24 173.01 1s6l s LEU 145 N -0.79 1.02 -0.09 2.44 2.34 0.78 -2.14 118.68 122.24 1s6l s LEU 145 Ca 0.10 -1.44 0.04 0.00 0.06 0.00 0.00 54.13 52.90 1s6l s LEU 145 Cb -0.10 1.29 -0.00 0.00 -0.56 0.00 0.00 46.19 46.82 1s6l s LEU 145 CO -0.00 -1.21 -0.24 0.68 -1.06 0.00 0.00 176.35 174.53 1s6l s VAL 146 N -3.33 2.10 -0.02 1.48 -7.23 -1.26 0.90 120.40 113.05 1s6l s VAL 146 Ca 0.31 -1.02 -0.12 0.00 -1.81 0.00 0.00 61.98 59.35 1s6l s VAL 146 Cb 0.01 -1.79 -0.07 0.00 0.56 0.00 0.00 36.38 35.09 1s6l s VAL 146 CO 0.19 0.56 0.66 -0.07 -0.31 0.00 0.00 175.10 176.13 1s6l h LEU 147 N 6.56 -0.37 0.00 1.32 4.07 -1.89 -3.47 115.31 121.54 1s6l h LEU 147 Ca -0.22 0.01 0.00 0.00 0.08 0.00 0.00 57.88 57.75 1s6l h LEU 147 Cb 1.22 0.10 0.00 0.00 1.08 0.00 0.00 40.66 43.06 1s6l h LEU 147 CO 0.47 -0.09 0.00 -0.81 -1.08 0.00 0.00 178.44 176.93 1s6l n PRO 148 N -4.15 -0.17 -3.23 1.13 -0.04 -1.26 -5.06 135.00 122.21 1s6l n PRO 148 Ca -0.05 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.44 1s6l n PRO 148 Cb 0.17 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.60 1s6l n PRO 148 CO 0.00 0.00 0.00 1.14 -0.04 0.00 0.00 175.50 176.60 1s6l s GLN 149 N -2.47 0.17 -0.03 0.54 -2.07 -1.26 -5.01 119.66 109.53 1s6l s GLN 149 Ca 0.00 0.36 0.14 0.00 -1.82 0.00 0.00 55.36 54.05 1s6l s GLN 149 Cb 0.00 0.21 0.25 0.00 -1.09 0.00 0.00 33.01 32.39 1s6l s GLN 149 CO 0.00 -0.11 1.11 -1.91 -1.32 0.00 0.00 175.29 173.06 1s6l n GLU 150 N 5.08 0.14 -1.38 9.60 0.00 -1.26 -4.90 120.64 127.91 1s6l n GLU 150 Ca -0.08 -1.62 -0.01 0.00 0.00 0.00 0.00 57.16 55.45 1s6l n GLU 150 Cb 0.54 0.15 0.01 0.00 0.00 0.00 0.00 31.44 32.14 1s6l n GLU 150 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1s6l n ALA 151 N 0.16 -0.54 -3.27 4.31 0.00 -1.26 -5.06 120.51 114.84 1s6l n ALA 151 Ca -0.09 -0.23 -0.25 0.00 0.00 0.00 0.00 53.44 52.87 1s6l n ALA 151 Cb 0.93 -0.47 -0.08 0.00 0.00 0.00 0.00 19.45 19.83 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 -0.25 2.56 -2.19 0.00 0.00 -1.26 -4.89 120.51 114.47 1s6l n ALA 152 Ca -0.05 -3.22 -0.05 0.00 0.00 0.00 0.00 53.44 50.12 1s6l n ALA 152 Cb 0.51 -0.79 -0.03 0.00 0.00 0.00 0.00 19.45 19.14 1s6l n ALA 152 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1s6l n ASP 153 N 2.09 -0.73 0.12 0.00 5.68 -1.26 -4.49 116.55 117.97 1s6l n ASP 153 Ca 0.25 -2.03 -0.03 0.00 -0.50 0.00 0.00 54.79 52.48 1s6l n ASP 153 Cb 0.51 0.25 0.11 0.00 -1.14 0.00 0.00 41.12 40.85 1s6l n ASP 153 CO 0.00 0.00 0.00 -0.37 -1.33 0.00 0.00 177.20 175.50 1s6l h VAL 154 N 5.14 1.49 0.00 2.12 -1.51 -1.90 -3.47 116.25 118.13 1s6l h VAL 154 Ca -0.50 -2.35 0.00 0.00 -1.23 0.00 0.00 66.70 62.62 1s6l h VAL 154 Cb 1.46 2.27 0.00 0.00 -2.13 0.00 0.00 31.29 32.88 1s6l h VAL 154 CO -0.21 0.67 0.00 0.54 -1.23 0.00 0.00 177.57 177.34 1s6l n ARG 155 N -3.73 0.00 -2.75 5.19 1.74 -1.26 -5.01 116.66 110.84 1s6l n ARG 155 Ca -0.01 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.07 1s6l n ARG 155 Cb 0.68 0.00 0.05 0.00 -1.02 0.00 0.00 32.46 32.17 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 -1.83 1.61 -3.45 5.56 6.02 -1.26 -5.06 117.38 118.98 1s6l n GLN 156 Ca 0.00 -3.33 -0.42 0.00 -0.01 0.00 0.00 57.00 53.24 1s6l n GLN 156 Cb 0.00 -1.43 -0.10 0.00 1.02 0.00 0.00 30.24 29.73 1s6l n GLN 156 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 1s6l s SER 157 N -3.60 6.12 -0.02 1.08 0.01 -1.26 -4.96 113.70 111.06 1s6l s SER 157 Ca 0.27 -0.73 -0.01 0.00 1.31 0.00 0.00 55.95 56.78 1s6l s SER 157 Cb 0.33 -2.17 -0.00 0.00 0.21 0.00 0.00 66.02 64.39 1s6l s SER 157 CO -0.05 -0.42 -0.03 0.33 0.41 0.00 0.00 173.24 173.48 1s6l n PHE 158 N 5.23 0.15 0.01 2.43 7.35 -1.26 -3.98 117.46 127.39 1s6l n PHE 158 Ca -0.11 0.07 -0.19 0.00 -0.76 0.00 0.00 57.45 56.46 1s6l n PHE 158 Cb 0.48 -0.33 -0.14 0.00 0.35 0.00 0.00 39.48 39.83 1s6l n PHE 158 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1s6l n HIS 161 N 0.00 3.15 -3.66 0.00 -0.00 -1.26 -4.96 115.22 108.49 1s6l n HIS 161 Ca 0.00 -2.68 -0.39 0.00 0.46 0.00 0.00 57.72 55.11 1s6l n HIS 161 Cb 0.00 -0.74 -0.12 0.00 -0.12 0.00 0.00 29.99 29.01 1s6l n HIS 161 CO 0.00 0.00 0.00 0.54 0.46 0.00 0.00 176.34 177.34 1s6l s VAL 162 N -5.18 4.28 0.31 3.57 0.11 -1.26 -4.33 120.40 117.90 1s6l s VAL 162 Ca 0.52 -0.93 0.04 0.00 -2.93 0.00 0.00 61.98 58.67 1s6l s VAL 162 Cb 0.43 -3.39 -0.06 0.00 -1.53 0.00 0.00 36.38 31.83 1s6l s VAL 162 CO -0.25 -0.20 0.05 -2.28 -3.33 0.00 0.00 175.10 169.09 1s6l s HIS 163 N 1.50 1.92 -0.16 1.54 2.46 -0.91 -3.36 115.29 118.28 1s6l s HIS 163 Ca 0.01 -0.95 -0.05 0.00 0.47 0.00 0.00 55.06 54.54 1s6l s HIS 163 Cb -0.19 -1.23 -0.03 0.00 -0.13 0.00 0.00 32.58 31.00 1s6l s HIS 163 CO 0.05 0.01 -0.01 -0.06 -2.47 0.00 0.00 174.74 172.26 1s6l s PHE 164 N -3.30 3.09 -0.08 3.88 0.08 -1.26 0.13 117.98 120.52 1s6l s PHE 164 Ca 0.36 -0.20 -0.01 0.00 0.12 0.00 0.00 56.93 57.20 1s6l s PHE 164 Cb 0.08 -2.00 -0.03 0.00 -0.57 0.00 0.00 43.02 40.50 1s6l s PHE 164 CO 0.15 0.01 -0.04 -0.06 -0.10 0.00 0.00 175.22 175.18 1s6l s PHE 165 N 0.39 3.04 0.58 0.36 0.40 0.66 -3.41 117.98 120.01 1s6l s PHE 165 Ca -0.02 0.09 0.31 0.00 -0.60 0.00 0.00 56.93 56.71 1s6l s PHE 165 Cb -0.14 -1.75 1.35 0.00 0.51 0.00 0.00 43.02 43.00 1s6l s PHE 165 CO 0.02 0.39 1.70 0.00 0.70 0.00 0.00 175.22 178.03 1s6l h ALA 166 N 5.24 2.65 -2.56 5.36 0.00 -1.89 0.91 119.26 128.97 1s6l h ALA 166 Ca -0.49 -0.03 0.13 0.00 0.00 0.00 0.00 54.91 54.52 1s6l h ALA 166 Cb 1.18 0.06 -0.08 0.00 0.00 0.00 0.00 17.79 18.96 1s6l h ALA 166 CO 0.53 -1.22 0.40 -1.12 0.00 0.00 0.00 179.25 177.84 1s6l s SER 167 N -4.66 -0.23 0.27 0.00 0.01 -1.26 -3.45 113.70 104.39 1s6l s SER 167 Ca -0.04 -0.43 0.03 0.00 1.31 0.00 0.00 55.95 56.82 1s6l s SER 167 Cb 0.17 0.56 0.38 0.00 0.21 0.00 0.00 66.02 67.34 1s6l s SER 167 CO 0.59 -1.02 1.68 0.58 0.41 0.00 0.00 173.24 175.48 1s6l h VAL 168 N 2.00 1.29 -0.16 3.43 2.07 -1.84 0.89 116.25 123.93 1s6l h VAL 168 Ca -0.23 -1.44 -0.19 0.00 0.82 0.00 0.00 66.70 65.67 1s6l h VAL 168 Cb 1.24 1.53 -0.00 0.00 -1.52 0.00 0.00 31.29 32.53 1s6l h VAL 168 CO 0.25 0.44 -0.66 -0.65 0.02 0.00 0.00 177.57 176.97 1s6l h PRO 169 N 0.35 0.61 0.03 1.57 0.11 -1.95 0.99 132.00 133.71 1s6l h PRO 169 Ca 0.04 -0.45 -0.27 0.00 0.11 0.00 0.00 66.00 65.44 1s6l h PRO 169 Cb 0.78 0.08 0.02 0.00 0.11 0.00 0.00 31.00 31.99 1s6l h PRO 169 CO 0.06 1.07 -1.06 1.15 -0.21 0.00 0.00 178.00 179.01 1s6l h THR 170 N 0.44 1.29 -0.32 -1.15 2.02 -1.92 5.29 112.91 118.56 1s6l h THR 170 Ca -0.02 -2.29 -0.01 0.00 0.77 0.00 0.00 66.41 64.86 1s6l h THR 170 Cb 1.25 2.49 -0.01 0.00 -1.74 0.00 0.00 68.15 70.13 1s6l h THR 170 CO 0.13 0.70 0.17 0.00 0.37 0.00 0.00 175.52 176.89 1s6l h ALA 171 N 0.36 0.41 0.00 6.16 0.00 0.89 0.92 119.26 127.99 1s6l h ALA 171 Ca -0.14 -0.08 -0.16 0.00 0.00 0.00 0.00 54.91 54.53 1s6l h ALA 171 Cb 1.73 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 19.37 1s6l h ALA 171 CO 0.21 -0.05 -0.75 0.93 0.00 0.00 0.00 179.25 179.59 1s6l h GLU 172 N 0.39 0.00 0.31 0.00 4.39 0.11 0.80 114.58 120.58 1s6l h GLU 172 Ca 0.11 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.80 1s6l h GLU 172 Cb 0.08 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.73 1s6l h GLU 172 CO -0.02 0.75 -0.15 0.22 -1.16 0.00 0.00 179.01 178.65 1s6l h ASP 173 N 0.00 -0.35 0.34 1.42 1.82 1.14 0.54 116.42 121.32 1s6l h ASP 173 Ca -0.01 -0.19 -0.05 0.00 -0.39 0.00 0.00 57.03 56.39 1s6l h ASP 173 Cb 1.52 0.09 -0.01 0.00 0.68 0.00 0.00 39.33 41.62 1s6l h ASP 173 CO 0.10 0.09 -0.24 -0.25 -1.61 0.00 0.00 179.24 177.33 1s6l h TRP 174 N -0.90 0.00 -0.75 0.28 2.91 0.74 -1.85 115.95 116.38 1s6l h TRP 174 Ca -0.04 0.00 -0.06 0.00 1.13 0.00 0.00 58.89 59.92 1s6l h TRP 174 Cb 0.52 0.00 -0.03 0.00 -0.51 0.00 0.00 29.16 29.14 1s6l h TRP 174 CO 0.04 0.24 0.24 0.00 -1.03 0.00 0.00 178.44 177.93 1s6l h ALA 175 N 1.76 1.00 -0.78 2.65 0.00 -0.67 -2.23 119.26 120.98 1s6l h ALA 175 Ca -0.00 -0.23 0.14 0.00 0.00 0.00 0.00 54.91 54.82 1s6l h ALA 175 Cb 0.47 -0.29 -0.09 0.00 0.00 0.00 0.00 17.79 17.87 1s6l h ALA 175 CO 0.03 0.67 0.35 1.03 0.00 0.00 0.00 179.25 181.34 1s6l h SER 176 N 1.12 0.38 -0.53 0.00 0.87 -0.00 0.40 113.55 115.79 1s6l h SER 176 Ca 0.24 0.10 -0.10 0.00 -1.23 0.00 0.00 61.79 60.81 1s6l h SER 176 Cb 0.30 0.05 -0.06 0.00 -0.44 0.00 0.00 62.40 62.26 1s6l h SER 176 CO -0.01 0.16 0.12 1.17 -0.53 0.00 0.00 176.83 177.74 1s6l n LYS 177 N -4.94 3.55 -1.35 2.24 0.00 -0.98 -3.92 118.16 112.76 1s6l n LYS 177 Ca 0.15 -2.43 0.01 0.00 0.00 0.00 0.00 58.31 56.03 1s6l n LYS 177 Cb 0.41 -2.06 -0.01 0.00 0.00 0.00 0.00 35.03 33.38 1s6l n LYS 177 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.40 178.98 1s6l n HIS 178 N 0.18 0.00 0.17 5.64 -0.00 0.12 -4.85 115.22 116.49 1s6l n HIS 178 Ca 0.28 -0.49 0.06 0.00 0.46 0.00 0.00 57.72 58.02 1s6l n HIS 178 Cb 1.10 0.04 -0.09 0.00 -0.12 0.00 0.00 29.99 30.92 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 0.35 1.17 0.30 1.57 6.02 -0.29 -4.47 117.38 122.02 1s6l n GLN 179 Ca -0.04 -0.08 0.18 0.00 -0.01 0.00 0.00 57.00 57.05 1s6l n GLN 179 Cb 1.02 -1.23 0.91 0.00 1.02 0.00 0.00 30.24 31.95 1s6l n GLN 179 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.06 176.83 1s6l h GLY 180 N 2.50 0.00 -0.66 1.08 0.00 -1.86 -3.43 103.07 100.70 1s6l h GLY 180 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 47.11 1s6l h GLY 180 CO 0.00 0.00 -0.11 1.04 0.00 0.00 0.00 176.54 177.47 1s6l n LEU 181 N -3.13 0.00 -2.25 3.11 4.77 -1.26 -4.89 117.00 113.35 1s6l n LEU 181 Ca -0.01 -0.52 -0.30 0.00 -0.03 0.00 0.00 56.01 55.15 1s6l n LEU 181 Cb 0.32 -0.64 0.11 0.00 -2.33 0.00 0.00 43.42 40.88 1s6l n LEU 181 CO 0.18 -2.34 1.33 -0.62 -1.33 0.00 0.00 177.39 174.61 1s6l n GLU 182 N -3.69 2.57 0.00 3.23 1.02 -1.26 -4.87 120.64 117.64 1s6l n GLU 182 Ca 0.08 -3.24 0.00 0.00 -0.02 0.00 0.00 57.16 53.98 1s6l n GLU 182 Cb 0.36 -2.24 0.00 0.00 -0.02 0.00 0.00 31.44 29.54 1s6l n GLU 182 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1s6l n GLY 183 N -0.99 2.91 3.52 0.62 0.00 -1.26 -4.64 105.19 105.35 1s6l n GLY 183 Ca 0.60 -0.06 0.03 0.00 0.00 0.00 0.00 46.02 46.59 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 -0.07 0.01 0.99 0.20 -1.26 -4.61 118.68 113.95 1s6l s LEU 184 Ca 0.00 0.10 -0.02 0.00 0.69 0.00 0.00 54.13 54.90 1s6l s LEU 184 Cb 0.00 1.09 -0.01 0.00 -0.43 0.00 0.00 46.19 46.84 1s6l s LEU 184 CO 0.00 -0.02 0.03 0.00 -0.29 0.00 0.00 176.35 176.07 1s6l s ALA 185 N 1.32 -0.04 0.25 5.97 0.00 0.26 -4.85 121.76 124.68 1s6l s ALA 185 Ca -0.06 -0.39 0.06 0.00 0.00 0.00 0.00 51.96 51.58 1s6l s ALA 185 Cb -0.02 0.12 -0.03 0.00 0.00 0.00 0.00 23.12 23.19 1s6l s ALA 185 CO -0.12 -0.16 0.31 0.42 0.00 0.00 0.00 175.76 176.21 1s6l s ILE 186 N -1.31 4.86 0.19 0.00 -1.09 -1.26 -0.15 121.20 122.44 1s6l s ILE 186 Ca -0.14 -1.14 -0.23 0.00 -2.23 0.00 0.00 60.65 56.91 1s6l s ILE 186 Cb -0.08 -3.66 0.05 0.00 -1.58 0.00 0.00 42.46 37.19 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 -2.05 0.00 -0.13 2.92 -7.23 0.19 -4.94 120.40 109.17 1s6l s VAL 187 Ca 0.34 -0.40 -0.20 0.00 -1.81 0.00 0.00 61.98 59.92 1s6l s VAL 187 Cb -0.09 -1.42 -0.04 0.00 0.56 0.00 0.00 36.38 35.40 1s6l s VAL 187 CO 0.28 0.00 0.58 -0.44 -0.31 0.00 0.00 175.10 175.21 1s6l s SER 188 N -2.80 6.77 0.66 4.85 0.01 -1.26 0.17 113.70 122.09 1s6l s SER 188 Ca 0.06 0.92 0.16 0.00 1.31 0.00 0.00 55.95 58.40 1s6l s SER 188 Cb -0.03 -2.34 0.85 0.00 0.21 0.00 0.00 66.02 64.71 1s6l s SER 188 CO -0.05 -0.11 1.47 -0.37 0.41 0.00 0.00 173.24 174.59 1s6l h VAL 189 N 4.87 0.02 -0.14 3.43 -1.51 -1.88 1.17 116.25 122.21 1s6l h VAL 189 Ca -0.38 0.00 -0.15 0.00 -1.23 0.00 0.00 66.70 64.94 1s6l h VAL 189 Cb 1.17 0.33 0.01 0.00 -2.13 0.00 0.00 31.29 30.67 1s6l h VAL 189 CO 0.76 0.00 -0.50 0.45 -1.23 0.00 0.00 177.57 177.04 1s6l h HIS 190 N 0.00 0.78 0.00 5.19 3.86 -1.91 -2.64 115.15 120.43 1s6l h HIS 190 Ca 0.03 -0.32 -0.04 0.00 -1.16 0.00 0.00 60.37 58.87 1s6l h HIS 190 Cb 1.40 -0.13 -0.01 0.00 1.06 0.00 0.00 27.41 29.73 1s6l h HIS 190 CO 0.00 1.10 -0.41 0.93 0.86 0.00 0.00 177.93 180.42 1s6l h GLU 191 N 0.24 0.00 0.00 2.45 5.08 0.81 -3.22 114.58 119.94 1s6l h GLU 191 Ca -0.02 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.27 1s6l h GLU 191 Cb 1.13 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.37 1s6l h GLU 191 CO 0.11 0.17 -0.30 0.00 -1.00 0.00 0.00 179.01 177.98 1s6l h ALA 192 N 1.81 1.01 0.00 3.43 0.00 -0.46 -1.98 119.26 123.07 1s6l h ALA 192 Ca -0.01 -0.27 -0.11 0.00 0.00 0.00 0.00 54.91 54.51 1s6l h ALA 192 Cb 1.16 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.88 1s6l h ALA 192 CO 0.02 0.38 -0.59 0.35 0.00 0.00 0.00 179.25 179.41 1s6l h PHE 193 N 0.00 0.00 0.00 0.00 3.04 -1.48 -1.43 116.94 117.08 1s6l h PHE 193 Ca -0.00 0.00 -0.23 0.00 3.98 0.00 0.00 57.97 61.72 1s6l h PHE 193 Cb 0.82 0.00 -0.04 0.00 2.56 0.00 0.00 35.95 39.30 1s6l h PHE 193 CO 0.00 0.50 -1.19 0.78 -2.02 0.00 0.00 178.31 176.37 1s6l h GLY 194 N 3.53 0.00 1.79 2.40 0.00 -1.55 0.26 103.07 109.50 1s6l h GLY 194 Ca -0.02 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 47.12 1s6l h GLY 194 CO 0.06 0.00 -1.00 -2.00 0.00 0.00 0.00 176.54 173.60 1s6l h LEU 195 N 0.00 0.00 0.00 3.11 7.12 -1.41 -1.33 115.31 122.80 1s6l h LEU 195 Ca -0.09 0.00 -0.20 0.00 0.13 0.00 0.00 57.88 57.72 1s6l h LEU 195 Cb 1.83 0.00 -0.03 0.00 -0.53 0.00 0.00 40.66 41.93 1s6l h LEU 195 CO 0.11 0.85 -1.16 1.23 -0.13 0.00 0.00 178.44 179.34 1s6l h GLY 196 N 3.24 0.00 1.78 3.75 0.00 -1.28 -3.28 103.07 107.27 1s6l h GLY 196 Ca -0.06 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.23 1s6l h GLY 196 CO 0.10 0.00 -0.41 -1.61 0.00 0.00 0.00 176.54 174.62 1s6l h GLN 197 N 0.00 0.00 0.00 4.80 4.15 -0.49 -3.24 115.11 120.33 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 1.71 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 29.39 1s6l h GLN 197 CO 0.08 0.18 -0.25 1.49 -1.93 0.00 0.00 178.83 178.40 1s6l h GLU 198 N 0.00 0.00 -0.95 1.69 4.57 -1.30 -3.23 114.58 115.35 1s6l h GLU 198 Ca -0.01 0.00 0.19 0.00 -1.18 0.00 0.00 59.36 58.36 1s6l h GLU 198 Cb 1.17 0.00 -0.08 0.00 -0.16 0.00 0.00 28.75 29.67 1s6l h GLU 198 CO 0.02 0.25 0.61 0.74 -1.18 0.00 0.00 179.01 179.45 1s6l h PHE 199 N 0.00 0.78 0.00 0.92 0.04 -1.62 0.15 116.94 117.21 1s6l h PHE 199 Ca -0.00 0.02 -0.18 0.00 2.80 0.00 0.00 57.97 60.61 1s6l h PHE 199 Cb 1.00 -0.24 -0.03 0.00 2.20 0.00 0.00 35.95 38.88 1s6l h PHE 199 CO 0.00 0.20 -0.91 -0.91 -0.60 0.00 0.00 178.31 176.09 1s6l h ASN 200 N 0.59 0.00 -0.16 2.17 -0.26 -1.78 -3.26 115.58 112.88 1s6l h ASN 200 Ca 0.51 0.00 0.05 0.00 -0.56 0.00 0.00 56.30 56.30 1s6l h ASN 200 Cb 1.02 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 38.27 1s6l h ASN 200 CO -0.26 0.83 0.13 -0.09 -1.06 0.00 0.00 177.43 176.98 1s6l h ARG 201 N 0.00 0.00 -0.24 0.81 1.12 -0.80 -2.17 114.38 113.10 1s6l h ARG 201 Ca -0.03 0.00 0.03 0.00 -1.11 0.00 0.00 59.98 58.86 1s6l h ARG 201 Cb 1.66 0.00 -0.03 0.00 -0.01 0.00 0.00 29.97 31.59 1s6l h ARG 201 CO 0.10 0.00 0.07 1.25 -3.11 0.00 0.00 179.97 178.29 1s6l h HIS 202 N 0.00 0.13 -0.93 2.20 2.76 -1.54 -2.19 115.15 115.58 1s6l h HIS 202 Ca 0.07 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.26 1s6l h HIS 202 Cb 0.33 -0.02 -0.05 0.00 1.55 0.00 0.00 27.41 29.22 1s6l h HIS 202 CO 0.00 0.06 0.59 -0.07 -1.30 0.00 0.00 177.93 177.21 1s6l h LEU 203 N 0.18 1.09 -0.66 0.26 4.07 -1.60 -2.49 115.31 116.16 1s6l h LEU 203 Ca 0.11 -0.04 0.04 0.00 0.08 0.00 0.00 57.88 58.07 1s6l h LEU 203 Cb 0.08 -0.27 -0.05 0.00 1.08 0.00 0.00 40.66 41.50 1s6l h LEU 203 CO -0.12 0.81 0.39 0.25 -1.08 0.00 0.00 178.44 178.69 1s6l h LEU 204 N 1.27 0.61 0.00 1.67 6.46 -1.35 -3.48 115.31 120.49 1s6l h LEU 204 Ca 0.34 0.01 0.27 0.00 -0.12 0.00 0.00 57.88 58.38 1s6l h LEU 204 Cb -0.11 -0.11 -0.07 0.00 -0.73 0.00 0.00 40.66 39.64 1s6l h LEU 204 CO -0.07 0.41 -0.35 0.00 -0.62 0.00 0.00 178.44 177.81 1s6l n GLN 205 N -4.74 -1.97 -2.15 1.25 6.02 -0.89 -4.06 117.38 110.84 1s6l n GLN 205 Ca 0.07 1.30 -0.30 0.00 -0.01 0.00 0.00 57.00 58.06 1s6l n GLN 205 Cb 0.13 -2.40 -0.05 0.00 1.02 0.00 0.00 30.24 28.93 1s6l n GLN 205 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1s6l s THR 206 N -1.50 3.63 -0.29 5.09 -4.23 -1.26 -4.77 115.64 112.31 1s6l s THR 206 Ca 0.00 -1.07 -0.16 0.00 -1.18 0.00 0.00 61.69 59.28 1s6l s THR 206 Cb 0.00 -4.66 0.17 0.00 1.34 0.00 0.00 72.50 69.35 1s6l s THR 206 CO 0.00 -1.15 1.06 -0.32 -0.54 0.00 0.00 174.62 173.67 1s6l s MET 207 N 6.13 0.26 0.02 3.99 0.00 -1.26 -5.10 119.30 123.35 1s6l s MET 207 Ca 0.66 0.51 0.00 0.00 0.00 0.00 0.00 55.69 56.86 1s6l s MET 207 Cb -0.00 0.15 0.00 0.00 0.00 0.00 0.00 34.83 34.98 1s6l s MET 207 CO 0.12 -0.07 0.00 0.43 0.00 0.00 0.00 175.02 175.51 1s6l n SER 208 N 3.97 0.13 -3.65 1.11 7.64 -1.26 -5.00 113.62 116.56 1s6l n SER 208 Ca -0.15 0.04 -0.08 0.00 1.01 0.00 0.00 58.87 59.69 1s6l n SER 208 Cb 0.56 -0.02 -0.08 0.00 -1.01 0.00 0.00 64.21 63.66 1s6l n SER 208 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1s6l s SER 209 N -4.90 -0.85 -0.41 6.43 0.15 -1.26 -5.04 113.70 107.82 1s6l s SER 209 Ca 0.00 1.38 0.05 0.00 0.70 0.00 0.00 55.95 58.08 1s6l s SER 209 Cb 0.00 1.26 0.49 0.00 -1.71 0.00 0.00 66.02 66.06 1s6l s SER 209 CO 0.00 -0.23 1.58 -1.14 1.20 0.00 0.00 173.24 174.65 1s6l n ARG 210 N 4.25 2.62 0.04 5.44 0.00 -1.26 -4.67 116.66 123.07 1s6l n ARG 210 Ca -0.20 -3.49 -0.07 0.00 -0.00 0.00 0.00 57.85 54.08 1s6l n ARG 210 Cb 0.58 -2.11 0.10 0.00 0.00 0.00 0.00 32.46 31.03 1s6l n ARG 210 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1s6l h THR 211 N 1.35 1.34 0.00 5.15 1.03 -2.08 -3.57 112.91 116.12 1s6l h THR 211 Ca 0.41 -1.79 0.00 0.00 -0.01 0.00 0.00 66.41 65.02 1s6l h THR 211 Cb 1.50 1.81 0.00 0.00 -1.07 0.00 0.00 68.15 70.39 1s6l h THR 211 CO 0.89 0.55 0.00 -2.65 -0.01 0.00 0.00 175.52 174.30