#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 0.83 -0.24 0.00 -1.08 -1.26 -5.16 116.67 109.76 1s6l s ASP 22 Ca 0.00 -1.54 -0.03 0.00 -0.52 0.00 0.00 52.55 50.46 1s6l s ASP 22 Cb 0.00 0.44 0.13 0.00 -1.46 0.00 0.00 42.92 42.03 1s6l s ASP 22 CO 0.00 -0.92 0.39 -0.76 0.52 0.00 0.00 175.17 174.40 1s6l s LEU 23 N -3.26 -0.67 -0.53 -1.34 1.43 -1.26 -5.02 118.68 108.04 1s6l s LEU 23 Ca 0.39 0.36 0.01 0.00 -1.03 0.00 0.00 54.13 53.86 1s6l s LEU 23 Cb 0.05 1.19 0.50 0.00 0.03 0.00 0.00 46.19 47.97 1s6l s LEU 23 CO 0.18 -0.29 1.96 -0.11 0.23 0.00 0.00 176.35 178.32 1s6l n LEU 24 N 5.37 7.07 -3.18 1.79 0.00 -1.26 -4.89 117.00 121.90 1s6l n LEU 24 Ca -0.04 -3.84 -0.09 0.00 0.00 0.00 0.00 56.01 52.04 1s6l n LEU 24 Cb 0.50 -0.91 0.04 0.00 0.00 0.00 0.00 43.42 43.05 1s6l n LEU 24 CO 0.05 1.25 0.16 0.52 0.00 0.00 0.00 177.39 179.37 1s6l n VAL 25 N -0.86 -9.57 0.30 1.96 0.31 -1.26 -4.85 118.33 104.36 1s6l n VAL 25 Ca 0.57 -0.88 0.19 0.00 -0.01 0.00 0.00 64.34 64.21 1s6l n VAL 25 Cb 1.05 -6.68 1.00 0.00 -0.91 0.00 0.00 33.84 28.31 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 -0.44 0.00 0.05 5.55 0.11 -1.99 -2.89 132.00 132.39 1s6l h PRO 26 Ca -0.35 0.00 0.03 0.00 0.11 0.00 0.00 66.00 65.78 1s6l h PRO 26 Cb 1.18 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.24 1s6l h PRO 26 CO 0.38 0.00 -0.41 -0.07 -0.21 0.00 0.00 178.00 177.69 1s6l h LEU 27 N 0.00 -1.24 -0.97 2.35 3.38 -1.97 0.37 115.31 117.23 1s6l h LEU 27 Ca 0.02 0.15 -0.09 0.00 0.09 0.00 0.00 57.88 58.05 1s6l h LEU 27 Cb 0.27 0.48 -0.01 0.00 0.09 0.00 0.00 40.66 41.49 1s6l h LEU 27 CO -0.00 -0.47 -0.41 -0.07 0.09 0.00 0.00 178.44 177.58 1s6l h LEU 28 N -0.60 0.00 0.32 1.67 4.07 -1.88 -1.48 115.31 117.41 1s6l h LEU 28 Ca 0.04 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 57.98 1s6l h LEU 28 Cb 0.66 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.40 1s6l h LEU 28 CO -0.28 0.41 -0.15 -0.09 -1.08 0.00 0.00 178.44 177.24 1s6l h ARG 29 N 0.00 -0.41 0.00 1.13 2.43 -1.25 0.36 114.38 116.63 1s6l h ARG 29 Ca -0.00 0.03 -0.06 0.00 -0.81 0.00 0.00 59.98 59.14 1s6l h ARG 29 Cb 0.89 0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.53 1s6l h ARG 29 CO 0.05 -0.24 -0.28 1.49 -1.51 0.00 0.00 179.97 179.49 1s6l h GLU 30 N -0.48 0.00 -0.13 0.20 4.57 -0.95 -3.08 114.58 114.72 1s6l h GLU 30 Ca -0.04 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.11 1s6l h GLU 30 Cb 0.36 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.95 1s6l h GLU 30 CO 0.07 0.28 -0.02 1.25 -1.18 0.00 0.00 179.01 179.41 1s6l h LEU 31 N 0.00 0.25 -2.00 1.64 7.12 -0.49 -2.74 115.31 119.08 1s6l h LEU 31 Ca -0.00 -0.35 0.11 0.00 0.13 0.00 0.00 57.88 57.77 1s6l h LEU 31 Cb 0.76 -0.07 -0.02 0.00 -0.53 0.00 0.00 40.66 40.81 1s6l h LEU 31 CO 0.04 0.54 0.42 0.00 -0.13 0.00 0.00 178.44 179.30 1s6l h ALA 32 N 0.72 2.09 0.00 1.25 0.00 -0.22 0.88 119.26 123.98 1s6l h ALA 32 Ca 0.04 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1s6l h ALA 32 Cb 0.42 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 1s6l h ALA 32 CO 0.01 -0.61 -0.09 0.87 0.00 0.00 0.00 179.25 179.43 1s6l h LYS 33 N 0.00 0.00 -5.57 0.00 1.57 -1.54 -3.47 116.57 107.56 1s6l h LYS 33 Ca 0.18 0.00 -0.33 0.00 -1.87 0.00 0.00 60.65 58.63 1s6l h LYS 33 Cb 1.01 0.00 0.16 0.00 0.08 0.00 0.00 32.23 33.48 1s6l h LYS 33 CO -0.00 0.09 -0.73 0.41 -0.57 0.00 0.00 179.45 178.65 1s6l n GLY 34 N -0.28 -0.37 3.21 3.86 0.00 0.30 -5.03 105.19 106.89 1s6l n GLY 34 Ca -0.01 0.11 -0.18 0.00 0.00 0.00 0.00 46.02 45.95 1s6l n GLY 34 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1s6l s ARG 35 N -5.51 0.94 -0.30 1.61 0.52 -1.26 -5.09 118.95 109.85 1s6l s ARG 35 Ca 0.12 -1.13 -0.31 0.00 -0.52 0.00 0.00 55.73 53.88 1s6l s ARG 35 Cb -0.05 -0.85 -0.08 0.00 0.52 0.00 0.00 34.95 34.49 1s6l s ARG 35 CO 0.71 0.17 2.24 -2.30 0.02 0.00 0.00 175.30 176.13 1s6l n PRO 36 N 0.79 1.50 -3.94 3.54 -0.02 -1.26 -4.93 135.00 130.68 1s6l n PRO 36 Ca -0.17 0.38 -0.34 0.00 -2.02 0.00 0.00 63.50 61.35 1s6l n PRO 36 Cb 0.56 -2.92 -0.14 0.00 -0.02 0.00 0.00 33.50 30.99 1s6l n PRO 36 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1s6l s VAL 37 N 8.25 2.85 0.85 -1.45 0.11 -1.26 -5.06 120.40 124.70 1s6l s VAL 37 Ca 1.05 -1.41 -0.09 0.00 -2.93 0.00 0.00 61.98 58.60 1s6l s VAL 37 Cb -0.55 -2.64 0.16 0.00 -1.53 0.00 0.00 36.38 31.83 1s6l s VAL 37 CO 0.40 -0.08 1.18 -0.94 -3.33 0.00 0.00 175.10 172.33 1s6l s SER 38 N 1.23 3.69 0.18 3.54 1.04 -1.26 -2.99 113.70 119.13 1s6l s SER 38 Ca -0.06 0.01 -0.05 0.00 0.48 0.00 0.00 55.95 56.33 1s6l s SER 38 Cb -0.20 -0.22 0.07 0.00 0.10 0.00 0.00 66.02 65.77 1s6l s SER 38 CO -0.02 -2.33 1.49 0.03 0.98 0.00 0.00 173.24 173.39 1s6l h ARG 39 N -1.14 0.64 0.00 4.02 -0.00 -1.97 0.18 114.38 116.12 1s6l h ARG 39 Ca -0.41 -0.40 -0.04 0.00 -0.50 0.00 0.00 59.98 58.63 1s6l h ARG 39 Cb 1.25 0.04 -0.01 0.00 0.00 0.00 0.00 29.97 31.26 1s6l h ARG 39 CO 0.40 1.01 -0.20 1.79 0.00 0.00 0.00 179.97 182.97 1s6l h THR 40 N 0.50 0.79 0.14 2.04 1.35 -1.95 1.51 112.91 117.29 1s6l h THR 40 Ca 0.01 -0.81 -0.29 0.00 -0.55 0.00 0.00 66.41 64.77 1s6l h THR 40 Cb 1.09 1.49 0.00 0.00 -1.73 0.00 0.00 68.15 69.00 1s6l h THR 40 CO 0.11 0.20 -1.47 0.74 -0.25 0.00 0.00 175.52 174.84 1s6l h THR 41 N 0.00 1.04 -0.52 6.82 2.02 -1.88 1.08 112.91 121.47 1s6l h THR 41 Ca -0.00 -2.44 -0.04 0.00 0.77 0.00 0.00 66.41 64.69 1s6l h THR 41 Cb 0.47 2.76 -0.02 0.00 -1.74 0.00 0.00 68.15 69.62 1s6l h THR 41 CO 0.03 0.75 0.16 0.25 0.37 0.00 0.00 175.52 177.07 1s6l h LEU 42 N -0.18 0.71 -0.12 2.58 6.46 -0.31 1.86 115.31 126.31 1s6l h LEU 42 Ca -0.31 -0.11 -0.15 0.00 -0.12 0.00 0.00 57.88 57.19 1s6l h LEU 42 Cb 1.86 -0.18 0.01 0.00 -0.73 0.00 0.00 40.66 41.61 1s6l h LEU 42 CO 0.10 0.68 -0.53 0.00 -0.62 0.00 0.00 178.44 178.07 1s6l h ALA 43 N 1.42 0.23 -0.03 1.25 0.00 0.21 0.99 119.26 123.32 1s6l h ALA 43 Ca 0.17 -0.51 -0.09 0.00 0.00 0.00 0.00 54.91 54.48 1s6l h ALA 43 Cb 0.23 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1s6l h ALA 43 CO -0.01 0.43 -0.39 0.78 0.00 0.00 0.00 179.25 180.06 1s6l h GLY 44 N 0.20 0.07 1.06 0.00 0.00 0.21 0.30 103.07 104.90 1s6l h GLY 44 Ca -0.03 -0.06 -0.27 0.00 0.00 0.00 0.00 47.33 46.97 1s6l h GLY 44 CO 0.11 0.05 -1.18 -2.22 0.00 0.00 0.00 176.54 173.31 1s6l h ILE 45 N 0.05 1.36 0.00 2.60 2.04 0.29 -3.13 117.51 120.73 1s6l h ILE 45 Ca 0.00 -2.55 0.00 0.00 1.00 0.00 0.00 64.86 63.31 1s6l h ILE 45 Cb 0.71 2.97 0.00 0.00 -0.74 0.00 0.00 36.82 39.77 1s6l h ILE 45 CO 0.05 0.75 0.00 0.18 0.00 0.00 0.00 178.15 179.14 1s6l n LEU 46 N -3.89 0.00 -1.76 1.44 4.32 0.34 -4.84 117.00 112.61 1s6l n LEU 46 Ca -0.15 0.48 -0.21 0.00 -0.02 0.00 0.00 56.01 56.12 1s6l n LEU 46 Cb 0.97 -0.48 -0.07 0.00 -1.62 0.00 0.00 43.42 42.21 1s6l n LEU 46 CO 0.56 -0.07 -0.21 -0.67 -1.22 0.00 0.00 177.39 175.78 1s6l n ASP 47 N -1.48 -5.58 -4.71 -1.43 2.03 0.84 -4.95 116.55 101.26 1s6l n ASP 47 Ca 0.07 0.41 -0.24 0.00 0.52 0.00 0.00 54.79 55.55 1s6l n ASP 47 Cb 0.29 -4.87 -0.06 0.00 -0.72 0.00 0.00 41.12 35.75 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 -2.82 2.88 0.41 -0.67 0.23 0.09 -5.00 118.94 114.06 1s6l s TRP 48 Ca 0.00 -0.16 -0.26 0.00 -2.03 0.00 0.00 56.10 53.66 1s6l s TRP 48 Cb 0.00 -1.32 -0.09 0.00 0.03 0.00 0.00 33.47 32.09 1s6l s TRP 48 CO 0.00 0.56 1.30 -1.25 0.96 0.00 0.00 176.95 178.52 1s6l s PRO 49 N -3.50 3.95 0.45 4.98 0.04 -1.26 -4.37 135.00 135.30 1s6l s PRO 49 Ca 0.31 2.15 0.19 0.00 0.04 0.00 0.00 61.00 63.70 1s6l s PRO 49 Cb -0.08 -2.74 1.06 0.00 0.04 0.00 0.00 34.50 32.77 1s6l s PRO 49 CO 0.21 -0.50 1.54 0.00 0.04 0.00 0.00 177.00 178.28 1s6l h ALA 50 N 2.65 1.25 0.08 8.56 0.00 -1.91 0.11 119.26 130.01 1s6l h ALA 50 Ca -0.50 0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.16 1s6l h ALA 50 Cb 1.25 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.04 1s6l h ALA 50 CO 0.62 -0.25 -1.13 0.93 0.00 0.00 0.00 179.25 179.42 1s6l h GLU 51 N 0.00 0.26 -0.45 0.00 5.08 -1.97 -1.26 114.58 116.24 1s6l h GLU 51 Ca 0.00 -0.39 -0.10 0.00 -1.00 0.00 0.00 59.36 57.87 1s6l h GLU 51 Cb 0.62 0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.99 1s6l h GLU 51 CO 0.00 1.15 -0.12 0.00 -1.00 0.00 0.00 179.01 179.05 1s6l h ARG 52 N 0.09 0.87 -0.24 2.33 2.47 -1.13 0.21 114.38 118.99 1s6l h ARG 52 Ca -0.10 -0.34 -0.01 0.00 -1.26 0.00 0.00 59.98 58.26 1s6l h ARG 52 Cb 1.84 -0.05 -0.01 0.00 -1.65 0.00 0.00 29.97 30.10 1s6l h ARG 52 CO 0.18 0.98 0.09 0.28 0.56 0.00 0.00 179.97 182.06 1s6l h VAL 53 N 0.71 1.17 -0.27 2.04 2.07 -1.55 -2.73 116.25 117.70 1s6l h VAL 53 Ca 0.11 -0.53 0.06 0.00 0.82 0.00 0.00 66.70 67.16 1s6l h VAL 53 Cb 0.66 1.08 -0.06 0.00 -1.52 0.00 0.00 31.29 31.44 1s6l h VAL 53 CO 0.05 0.18 -0.15 0.00 0.02 0.00 0.00 177.57 177.66 1s6l h ALA 54 N 0.93 0.06 -1.03 1.67 0.00 -0.89 -0.35 119.26 119.65 1s6l h ALA 54 Ca 0.08 0.10 0.26 0.00 0.00 0.00 0.00 54.91 55.34 1s6l h ALA 54 Cb 0.19 0.34 -0.10 0.00 0.00 0.00 0.00 17.79 18.22 1s6l h ALA 54 CO -0.01 -0.55 0.64 0.00 0.00 0.00 0.00 179.25 179.34 1s6l h ALA 55 N 1.08 2.07 0.25 0.00 0.00 -0.34 0.95 119.26 123.27 1s6l h ALA 55 Ca 0.14 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 1s6l h ALA 55 Cb 0.33 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1s6l h ALA 55 CO -0.34 -0.50 -0.12 0.28 0.00 0.00 0.00 179.25 178.57 1s6l h VAL 56 N 0.47 0.80 0.00 0.00 2.07 -0.78 -2.77 116.25 116.04 1s6l h VAL 56 Ca 0.61 -0.35 0.00 0.00 0.82 0.00 0.00 66.70 67.78 1s6l h VAL 56 Cb 1.39 1.00 0.00 0.00 -1.52 0.00 0.00 31.29 32.16 1s6l h VAL 56 CO -0.35 0.08 0.00 0.17 0.02 0.00 0.00 177.57 177.48 1s6l h LEU 57 N -0.52 0.00 -2.60 2.57 8.10 -0.72 -3.05 115.31 119.09 1s6l h LEU 57 Ca -0.03 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.96 1s6l h LEU 57 Cb 0.38 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.60 1s6l h LEU 57 CO 0.06 0.00 0.09 -0.08 -4.11 0.00 0.00 178.44 174.40 1s6l h GLU 58 N 0.00 0.00 -0.01 0.17 4.81 0.12 0.60 114.58 120.27 1s6l h GLU 58 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1s6l h GLU 58 Cb 0.57 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.95 1s6l h GLU 58 CO 0.00 0.00 0.00 1.04 -0.73 0.00 0.00 179.01 179.32 1s6l n GLN 59 N -2.96 2.56 -3.67 1.92 1.13 -1.15 -4.82 117.38 110.39 1s6l n GLN 59 Ca -0.03 -1.79 -0.27 0.00 -1.94 0.00 0.00 57.00 52.97 1s6l n GLN 59 Cb 0.15 -1.13 -0.10 0.00 0.11 0.00 0.00 30.24 29.27 1s6l n GLN 59 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1s6l n ALA 60 N -0.73 3.51 0.04 -1.58 0.00 0.20 -4.85 120.51 117.11 1s6l n ALA 60 Ca 0.04 -4.41 -0.02 0.00 0.00 0.00 0.00 53.44 49.06 1s6l n ALA 60 Cb 0.35 -0.95 -0.08 0.00 0.00 0.00 0.00 19.45 18.77 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 3.91 0.75 0.00 0.00 1.35 -1.88 -3.31 112.91 113.74 1s6l h THR 61 Ca 0.17 -2.32 -0.01 0.00 -0.55 0.00 0.00 66.41 63.70 1s6l h THR 61 Cb 0.75 2.26 -0.00 0.00 -1.73 0.00 0.00 68.15 69.42 1s6l h THR 61 CO 0.71 0.43 -0.07 -1.28 -0.25 0.00 0.00 175.52 175.06 1s6l h SER 62 N 0.00 0.00 -3.79 5.36 0.87 -1.95 -3.45 113.55 110.59 1s6l h SER 62 Ca -0.15 0.00 -0.55 0.00 -1.23 0.00 0.00 61.79 59.86 1s6l h SER 62 Cb 1.66 0.00 0.12 0.00 -0.44 0.00 0.00 62.40 63.74 1s6l h SER 62 CO 0.06 0.07 0.67 0.41 -0.53 0.00 0.00 176.83 177.51 1s6l n THR 63 N -3.20 2.32 -2.93 2.23 -1.04 -1.25 -4.95 114.28 105.47 1s6l n THR 63 Ca 0.00 -0.50 -0.41 0.00 -2.04 0.00 0.00 64.05 61.11 1s6l n THR 63 Cb 0.33 -1.82 -0.04 0.00 -1.82 0.00 0.00 70.33 66.98 1s6l n THR 63 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 1s6l s GLU 64 N -2.19 4.39 0.48 -2.82 8.01 -1.26 -5.06 118.70 120.24 1s6l s GLU 64 Ca 0.57 1.01 0.09 0.00 0.01 0.00 0.00 54.97 56.65 1s6l s GLU 64 Cb -0.49 -3.51 0.04 0.00 -4.31 0.00 0.00 34.13 25.86 1s6l s GLU 64 CO 0.61 -0.14 0.64 0.71 0.01 0.00 0.00 175.26 177.09 1s6l s TYR 65 N 1.47 2.30 -0.13 1.61 2.02 -1.26 -2.99 117.35 120.36 1s6l s TYR 65 Ca 0.40 -0.52 -0.18 0.00 -0.37 0.00 0.00 57.07 56.40 1s6l s TYR 65 Cb -0.18 -2.31 0.04 0.00 -0.40 0.00 0.00 41.96 39.12 1s6l s TYR 65 CO 0.17 -0.67 0.46 0.34 -1.57 0.00 0.00 175.55 174.28 1s6l s ASP 66 N -4.45 -0.44 1.10 2.29 -1.08 -0.93 -4.76 116.67 108.39 1s6l s ASP 66 Ca 0.57 0.74 0.00 0.00 -0.52 0.00 0.00 52.55 53.33 1s6l s ASP 66 Cb -0.08 0.77 0.00 0.00 -1.46 0.00 0.00 42.92 42.15 1s6l s ASP 66 CO 0.35 -0.28 0.00 1.17 0.52 0.00 0.00 175.17 176.93 1s6l n LYS 67 N 2.27 0.00 0.02 4.34 3.00 -1.26 -1.83 118.16 124.70 1s6l n LYS 67 Ca -0.16 0.00 0.11 0.00 -0.00 0.00 0.00 58.31 58.27 1s6l n LYS 67 Cb 0.57 0.00 0.09 0.00 0.00 0.00 0.00 35.03 35.69 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 9.20 0.63 0.00 3.14 8.00 -1.26 -4.91 116.55 131.35 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 0.58 0.00 0.00 -0.02 0.00 0.00 41.12 41.68 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 1.41 1.02 3.94 0.44 0.00 -0.76 -5.15 105.19 106.09 1s6l n GLY 69 Ca 0.03 0.00 -0.25 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 -1.14 4.84 -0.49 1.61 -0.87 -0.89 -4.73 114.94 113.28 1s6l s ASN 70 Ca 0.00 0.32 -0.29 0.00 -1.57 0.00 0.00 52.86 51.32 1s6l s ASN 70 Cb 0.00 -0.99 0.03 0.00 -0.02 0.00 0.00 41.25 40.27 1s6l s ASN 70 CO 0.00 -1.55 1.16 -0.63 -2.57 0.00 0.00 177.10 173.51 1s6l s ILE 71 N -3.16 4.16 0.28 0.60 1.09 -1.16 -2.20 121.20 120.81 1s6l s ILE 71 Ca 0.60 1.16 0.04 0.00 -1.10 0.00 0.00 60.65 61.35 1s6l s ILE 71 Cb -0.10 -4.60 0.05 0.00 -1.06 0.00 0.00 42.46 36.74 1s6l s ILE 71 CO 0.44 -1.05 1.70 -0.29 -0.10 0.00 0.00 174.94 175.63 1s6l h ILE 72 N 6.24 1.29 0.00 2.92 -0.00 -1.83 -3.37 117.51 122.76 1s6l h ILE 72 Ca -0.24 -1.41 0.00 0.00 -0.00 0.00 0.00 64.86 63.21 1s6l h ILE 72 Cb 1.06 1.53 0.00 0.00 -0.00 0.00 0.00 36.82 39.42 1s6l h ILE 72 CO 1.14 0.43 0.00 0.61 -0.00 0.00 0.00 178.15 180.33 1s6l n GLY 73 N -0.25 0.97 0.24 8.18 0.00 -1.26 -4.89 105.19 108.18 1s6l n GLY 73 Ca -0.01 -1.41 -0.01 0.00 0.00 0.00 0.00 46.02 44.59 1s6l n GLY 73 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1s6l n TYR 74 N 0.00 -2.43 0.00 1.61 4.01 -1.26 -4.85 117.16 114.23 1s6l n TYR 74 Ca 0.00 -0.14 0.00 0.00 -0.16 0.00 0.00 57.90 57.60 1s6l n TYR 74 Cb 0.00 -0.03 0.00 0.00 -0.31 0.00 0.00 39.34 39.00 1s6l n TYR 74 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1s6l n GLY 75 N 4.57 0.27 5.26 2.72 0.00 -1.26 -5.07 105.19 111.67 1s6l n GLY 75 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1s6l n GLY 75 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1s6l n LEU 76 N 0.00 0.00 -4.29 0.99 7.99 -1.26 -4.45 117.00 115.98 1s6l n LEU 76 Ca 0.00 0.00 -0.16 0.00 -0.01 0.00 0.00 56.01 55.84 1s6l n LEU 76 Cb 0.00 0.00 -0.10 0.00 -0.11 0.00 0.00 43.42 43.21 1s6l n LEU 76 CO 0.00 0.00 -0.43 0.28 -1.51 0.00 0.00 177.39 175.73 1s6l s THR 77 N 0.00 1.41 -0.17 -5.08 -1.32 -1.26 -5.01 115.64 104.21 1s6l s THR 77 Ca 0.00 -2.10 -0.06 0.00 -1.21 0.00 0.00 61.69 58.32 1s6l s THR 77 Cb 0.00 -1.90 -0.22 0.00 -1.51 0.00 0.00 72.50 68.86 1s6l s THR 77 CO 0.00 -0.66 3.24 0.18 -2.21 0.00 0.00 174.62 175.17 1s6l n LEU 78 N -0.22 5.05 -3.21 9.08 4.77 -1.26 -4.74 117.00 126.47 1s6l n LEU 78 Ca -0.10 -3.03 -0.14 0.00 -0.03 0.00 0.00 56.01 52.72 1s6l n LEU 78 Cb 0.60 -1.29 0.01 0.00 -2.33 0.00 0.00 43.42 40.42 1s6l n LEU 78 CO 0.33 1.50 -0.37 -1.14 -1.33 0.00 0.00 177.39 176.37 1s6l n ARG 79 N 2.69 -1.43 -0.48 3.23 0.63 -1.26 -4.94 116.66 115.09 1s6l n ARG 79 Ca 0.42 1.37 -0.02 0.00 -0.92 0.00 0.00 57.85 58.71 1s6l n ARG 79 Cb 0.75 -2.33 -0.02 0.00 0.45 0.00 0.00 32.46 31.32 1s6l n ARG 79 CO 0.00 0.00 0.00 -0.85 -2.51 0.00 0.00 177.63 174.27 1s6l n GLU 80 N 0.57 0.00 -2.25 -0.14 0.28 -1.26 -5.15 120.64 112.68 1s6l n GLU 80 Ca -0.02 -0.22 -0.04 0.00 -0.16 0.00 0.00 57.16 56.73 1s6l n GLU 80 Cb 0.50 0.18 -0.01 0.00 1.43 0.00 0.00 31.44 33.54 1s6l n GLU 80 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 1s6l n THR 81 N 0.00 0.00 -0.07 3.84 -2.24 -1.26 -5.07 114.28 109.47 1s6l n THR 81 Ca -0.06 -0.27 -0.07 0.00 -2.27 0.00 0.00 64.05 61.39 1s6l n THR 81 Cb 0.38 0.01 -0.13 0.00 -2.10 0.00 0.00 70.33 68.49 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 -1.11 1.02 -4.61 3.42 3.41 -1.26 -4.90 113.62 109.58 1s6l n SER 82 Ca -0.02 0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 58.16 1s6l n SER 82 Cb 0.07 0.97 -0.02 0.00 -0.26 0.00 0.00 64.21 64.98 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 -2.46 2.84 -0.07 7.33 1.51 -1.26 -4.61 117.35 120.63 1s6l s TYR 83 Ca -0.08 0.83 -0.00 0.00 -1.01 0.00 0.00 57.07 56.81 1s6l s TYR 83 Cb 0.05 -4.22 -0.03 0.00 -0.11 0.00 0.00 41.96 37.65 1s6l s TYR 83 CO 0.67 -1.25 -0.03 0.08 -1.11 0.00 0.00 175.55 173.90 1s6l s VAL 84 N 4.36 4.03 -0.25 0.71 1.01 -0.54 -0.86 120.40 128.87 1s6l s VAL 84 Ca 0.49 -0.39 -0.01 0.00 0.00 0.00 0.00 61.98 62.07 1s6l s VAL 84 Cb -0.09 -2.69 0.07 0.00 0.00 0.00 0.00 36.38 33.67 1s6l s VAL 84 CO 0.28 0.58 0.03 0.12 0.00 0.00 0.00 175.10 176.10 1s6l s PHE 85 N -0.88 1.85 -0.19 5.22 5.36 0.98 -0.49 117.98 129.83 1s6l s PHE 85 Ca 0.14 -1.55 -0.10 0.00 -0.96 0.00 0.00 56.93 54.46 1s6l s PHE 85 Cb -0.11 -1.53 -0.05 0.00 -0.34 0.00 0.00 43.02 40.99 1s6l s PHE 85 CO 0.03 -0.77 0.13 -1.21 -1.46 0.00 0.00 175.22 171.94 1s6l s GLU 86 N 1.57 4.14 -0.03 10.12 2.02 0.32 0.10 118.70 136.95 1s6l s GLU 86 Ca 0.01 -0.22 -0.01 0.00 0.02 0.00 0.00 54.97 54.77 1s6l s GLU 86 Cb -0.18 -3.40 0.03 0.00 0.10 0.00 0.00 34.13 30.68 1s6l s GLU 86 CO -0.13 0.32 0.05 0.96 0.02 0.00 0.00 175.26 176.49 1s6l s ILE 87 N 0.28 -0.09 0.00 -1.63 -4.36 -0.95 0.14 121.20 114.60 1s6l s ILE 87 Ca 0.08 0.33 0.00 0.00 -0.26 0.00 0.00 60.65 60.80 1s6l s ILE 87 Cb -0.11 -0.12 0.00 0.00 1.25 0.00 0.00 42.46 43.48 1s6l s ILE 87 CO -0.02 0.14 0.00 -0.67 0.24 0.00 0.00 174.94 174.63 1s6l n ASP 88 N 4.79 0.00 -1.46 4.36 -0.08 -1.25 -0.72 116.55 122.18 1s6l n ASP 88 Ca -0.15 0.00 -0.03 0.00 -1.51 0.00 0.00 54.79 53.10 1s6l n ASP 88 Cb 0.50 0.00 0.01 0.00 2.34 0.00 0.00 41.12 43.97 1s6l n ASP 88 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 1s6l n ASP 89 N 0.07 -0.79 -3.67 1.67 2.03 -1.26 -5.10 116.55 109.49 1s6l n ASP 89 Ca 0.00 -1.52 -0.26 0.00 0.52 0.00 0.00 54.79 53.53 1s6l n ASP 89 Cb 0.00 0.31 -0.17 0.00 -0.72 0.00 0.00 41.12 40.54 1s6l n ASP 89 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1s6l s ARG 90 N 0.04 0.30 -0.17 -0.67 1.81 0.10 -5.12 118.95 115.24 1s6l s ARG 90 Ca 0.03 -0.13 -0.29 0.00 -1.72 0.00 0.00 55.73 53.61 1s6l s ARG 90 Cb 0.13 -1.72 -0.00 0.00 -0.45 0.00 0.00 34.95 32.91 1s6l s ARG 90 CO -0.04 -0.59 1.10 0.50 -0.68 0.00 0.00 175.30 175.59 1s6l s ARG 91 N 2.03 4.29 0.34 3.54 6.06 -1.26 -2.24 118.95 131.71 1s6l s ARG 91 Ca 0.02 1.47 0.09 0.00 -2.50 0.00 0.00 55.73 54.80 1s6l s ARG 91 Cb -0.16 -3.64 -0.05 0.00 0.06 0.00 0.00 34.95 31.16 1s6l s ARG 91 CO -0.08 -0.57 0.06 -0.51 -2.50 0.00 0.00 175.30 171.70 1s6l s LEU 92 N 2.95 3.08 0.23 -0.88 2.01 0.29 -4.97 118.68 121.39 1s6l s LEU 92 Ca 0.49 -0.91 0.04 0.00 0.01 0.00 0.00 54.13 53.76 1s6l s LEU 92 Cb -0.18 -1.49 -0.05 0.00 0.01 0.00 0.00 46.19 44.47 1s6l s LEU 92 CO 0.12 -0.25 -0.02 -0.31 1.01 0.00 0.00 176.35 176.90 1s6l s TYR 93 N -2.48 1.57 0.25 0.29 1.51 -1.26 -0.01 117.35 117.21 1s6l s TYR 93 Ca 0.36 -0.89 -0.13 0.00 -1.01 0.00 0.00 57.07 55.40 1s6l s TYR 93 Cb -0.01 -0.90 -0.00 0.00 -0.11 0.00 0.00 41.96 40.94 1s6l s TYR 93 CO 0.20 -0.01 0.48 0.00 -1.11 0.00 0.00 175.55 175.12 1s6l s ALA 94 N -3.38 -0.23 -0.18 3.71 0.00 -0.03 -4.07 121.76 117.57 1s6l s ALA 94 Ca 0.28 -0.89 0.22 0.00 0.00 0.00 0.00 51.96 51.57 1s6l s ALA 94 Cb 0.05 1.07 -0.28 0.00 0.00 0.00 0.00 23.12 23.96 1s6l s ALA 94 CO 0.08 -0.86 0.60 0.91 0.00 0.00 0.00 175.76 176.50 1s6l n TRP 95 N -0.39 0.10 -3.90 0.00 7.02 -1.26 -4.05 117.44 114.97 1s6l n TRP 95 Ca -0.02 0.03 -0.09 0.00 -1.02 0.00 0.00 57.50 56.40 1s6l n TRP 95 Cb 0.62 -0.49 -0.07 0.00 -2.42 0.00 0.00 31.31 28.95 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 2.63 1.75 0.00 0.00 0.00 0.04 -1.91 119.26 121.77 1s6l h ALA 97 Ca -0.33 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.46 1s6l h ALA 97 Cb 1.22 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.00 1s6l h ALA 97 CO 0.52 -0.55 -0.67 1.25 0.00 0.00 0.00 179.25 179.79 1s6l h LEU 98 N 0.00 0.00 -1.77 0.00 5.85 -1.90 -3.36 115.31 114.14 1s6l h LEU 98 Ca 0.10 -0.60 0.35 0.00 0.84 0.00 0.00 57.88 58.57 1s6l h LEU 98 Cb 0.99 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.97 1s6l h LEU 98 CO -0.00 1.19 1.01 0.44 -0.34 0.00 0.00 178.44 180.74 1s6l h ASP 99 N -1.00 0.00 -0.89 1.25 3.32 -1.72 0.49 116.42 117.86 1s6l h ASP 99 Ca -0.17 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.88 1s6l h ASP 99 Cb 1.04 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.55 1s6l h ASP 99 CO -0.11 0.00 0.57 0.71 -1.72 0.00 0.00 179.24 178.69 1s6l h THR 100 N 0.00 1.24 -1.26 0.35 1.35 -1.67 -3.45 112.91 109.47 1s6l h THR 100 Ca 0.57 -0.48 -0.63 0.00 -0.55 0.00 0.00 66.41 65.32 1s6l h THR 100 Cb 2.58 -0.06 -0.13 0.00 -1.73 0.00 0.00 68.15 68.81 1s6l h THR 100 CO -0.01 0.24 -0.55 -1.48 -0.25 0.00 0.00 175.52 173.47 1s6l s LEU 101 N -9.97 2.44 0.00 3.87 2.34 0.17 -4.77 118.68 112.75 1s6l s LEU 101 Ca -0.12 -1.54 0.00 0.00 0.06 0.00 0.00 54.13 52.53 1s6l s LEU 101 Cb 0.18 -0.68 0.00 0.00 -0.56 0.00 0.00 46.19 45.12 1s6l s LEU 101 CO 0.81 -0.71 0.00 -0.38 -1.06 0.00 0.00 176.35 175.01 1s6l n ILE 102 N -1.08 0.00 -2.85 1.48 5.41 -1.26 -4.88 119.36 116.18 1s6l n ILE 102 Ca -0.12 0.00 -0.08 0.00 1.00 0.00 0.00 62.75 63.56 1s6l n ILE 102 Cb 0.67 -0.14 -0.00 0.00 -0.71 0.00 0.00 39.64 39.45 1s6l n ILE 102 CO 0.00 0.00 0.00 0.49 0.00 0.00 0.00 176.55 177.04 1s6l n PHE 103 N -2.14 -3.35 -0.35 1.39 3.72 -1.26 -5.02 117.46 110.44 1s6l n PHE 103 Ca 0.00 -1.70 -0.03 0.00 -0.05 0.00 0.00 57.45 55.67 1s6l n PHE 103 Cb 0.00 1.30 0.10 0.00 -0.94 0.00 0.00 39.48 39.94 1s6l n PHE 103 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1s6l h PRO 104 N 4.99 1.28 0.00 -1.08 0.13 -1.93 -2.00 132.00 133.39 1s6l h PRO 104 Ca 0.07 -0.11 -0.04 0.00 -0.87 0.00 0.00 66.00 65.05 1s6l h PRO 104 Cb 1.07 -0.27 -0.01 0.00 0.13 0.00 0.00 31.00 31.93 1s6l h PRO 104 CO 0.09 0.89 -0.19 0.00 -0.23 0.00 0.00 178.00 178.57 1s6l h ALA 105 N 1.32 1.29 0.00 -0.56 0.00 -1.80 -2.21 119.26 117.30 1s6l h ALA 105 Ca 0.34 -0.17 -0.14 0.00 0.00 0.00 0.00 54.91 54.95 1s6l h ALA 105 Cb -0.07 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1s6l h ALA 105 CO -0.07 0.23 -0.64 1.25 0.00 0.00 0.00 179.25 180.02 1s6l h LEU 106 N 0.00 0.00 0.70 0.00 5.85 -1.74 -3.34 115.31 116.78 1s6l h LEU 106 Ca -0.00 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.68 1s6l h LEU 106 Cb 0.45 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.49 1s6l h LEU 106 CO 0.02 0.64 -0.34 0.40 -0.34 0.00 0.00 178.44 178.83 1s6l h ILE 107 N 0.00 0.13 0.00 4.05 1.08 -0.96 -3.48 117.51 118.33 1s6l h ILE 107 Ca -0.01 -0.26 0.00 0.00 -0.39 0.00 0.00 64.86 64.20 1s6l h ILE 107 Cb 1.49 0.17 0.00 0.00 -3.07 0.00 0.00 36.82 35.41 1s6l h ILE 107 CO 0.08 0.02 0.00 0.61 -0.69 0.00 0.00 178.15 178.17 1s6l n GLY 108 N -0.86 1.19 2.51 5.37 0.00 -1.15 -5.08 105.19 107.17 1s6l n GLY 108 Ca -0.13 -0.02 -0.10 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.80 0.58 -3.00 1.61 3.00 -1.26 -5.00 116.66 110.79 1s6l n ARG 109 Ca 0.00 -1.95 -0.30 0.00 -0.00 0.00 0.00 57.85 55.60 1s6l n ARG 109 Cb 0.00 1.98 -0.04 0.00 0.00 0.00 0.00 32.46 34.40 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 -2.64 4.83 -0.18 5.15 2.01 -1.26 -3.71 115.64 119.84 1s6l s THR 110 Ca 0.19 0.53 -0.04 0.00 0.31 0.00 0.00 61.69 62.69 1s6l s THR 110 Cb -0.01 -3.72 0.06 0.00 0.01 0.00 0.00 72.50 68.84 1s6l s THR 110 CO 0.14 -0.43 0.06 0.00 -0.69 0.00 0.00 174.62 173.69 1s6l s ALA 111 N -2.26 0.76 -0.23 7.40 0.00 0.25 -3.88 121.76 123.79 1s6l s ALA 111 Ca 0.50 -0.53 -0.29 0.00 0.00 0.00 0.00 51.96 51.64 1s6l s ALA 111 Cb -0.10 -1.12 0.01 0.00 0.00 0.00 0.00 23.12 21.91 1s6l s ALA 111 CO 0.29 -1.17 1.02 1.03 0.00 0.00 0.00 175.76 176.94 1s6l s ARG 112 N 1.98 4.25 -0.14 0.00 0.52 0.38 0.13 118.95 126.06 1s6l s ARG 112 Ca 0.00 1.32 -0.02 0.00 -0.52 0.00 0.00 55.73 56.52 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 -0.63 -0.09 0.08 0.02 0.00 0.00 175.30 174.60 1s6l s VAL 113 N 3.18 3.39 -0.03 3.52 1.01 0.30 0.12 120.40 131.89 1s6l s VAL 113 Ca 0.43 -0.54 0.06 0.00 0.00 0.00 0.00 61.98 61.94 1s6l s VAL 113 Cb -0.15 -2.45 -0.01 0.00 0.00 0.00 0.00 36.38 33.77 1s6l s VAL 113 CO 0.06 0.51 -0.22 -0.44 0.00 0.00 0.00 175.10 175.02 1s6l s SER 114 N 0.36 2.62 0.24 3.32 0.01 0.36 0.12 113.70 120.74 1s6l s SER 114 Ca -0.08 -0.42 0.00 0.00 1.31 0.00 0.00 55.95 56.76 1s6l s SER 114 Cb -0.15 -0.52 -0.03 0.00 0.21 0.00 0.00 66.02 65.53 1s6l s SER 114 CO 0.05 0.24 0.21 -0.44 0.41 0.00 0.00 173.24 173.71 1s6l s SER 115 N -0.29 0.56 -0.03 2.44 0.01 0.53 -1.47 113.70 115.46 1s6l s SER 115 Ca 0.02 -1.45 0.02 0.00 1.31 0.00 0.00 55.95 55.84 1s6l s SER 115 Cb -0.11 0.46 0.01 0.00 0.21 0.00 0.00 66.02 66.59 1s6l s SER 115 CO 0.01 -0.95 -0.05 -1.00 0.41 0.00 0.00 173.24 171.66 1s6l s HIS 116 N -3.91 0.69 0.19 2.43 0.09 -1.26 0.93 115.29 114.46 1s6l s HIS 116 Ca 0.38 -0.16 -0.32 0.00 -0.00 0.00 0.00 55.06 54.96 1s6l s HIS 116 Cb 0.05 -0.55 -0.11 0.00 -0.00 0.00 0.00 32.58 31.97 1s6l s HIS 116 CO 0.16 -0.11 1.64 0.00 -0.00 0.00 0.00 174.74 176.42 1s6l n ALA 118 N 3.85 2.06 0.00 0.00 0.00 -1.22 -0.28 120.51 124.92 1s6l n ALA 118 Ca 0.14 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.49 1s6l n ALA 118 Cb 0.37 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.52 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 2.99 0.03 0.00 0.00 -1.26 -4.80 120.51 116.28 1s6l n ALA 119 Ca 0.11 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.57 1s6l n ALA 119 Cb 0.12 0.46 -0.08 0.00 0.00 0.00 0.00 19.45 19.94 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 -2.95 1.00 -0.96 0.00 -1.04 -1.25 -4.95 114.28 104.13 1s6l n THR 120 Ca 0.00 -0.66 0.00 0.00 -2.04 0.00 0.00 64.05 61.35 1s6l n THR 120 Cb 0.46 -0.59 0.00 0.00 -1.82 0.00 0.00 70.33 68.38 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 1.37 0.59 3.69 3.41 0.00 0.61 -4.92 105.19 109.94 1s6l n GLY 121 Ca -0.09 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.55 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 0.86 -2.62 4.61 0.00 -1.26 -4.28 120.51 118.82 1s6l n ALA 122 Ca 0.00 0.03 -0.42 0.00 0.00 0.00 0.00 53.44 53.05 1s6l n ALA 122 Cb 0.05 -2.25 -0.03 0.00 0.00 0.00 0.00 19.45 17.22 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 -3.01 3.36 -0.03 0.00 0.05 -1.26 -1.24 135.00 132.87 1s6l s PRO 123 Ca 0.77 -0.09 -0.03 0.00 0.05 0.00 0.00 61.00 61.70 1s6l s PRO 123 Cb -0.41 -4.08 -0.04 0.00 0.05 0.00 0.00 34.50 30.02 1s6l s PRO 123 CO 0.45 -1.75 0.17 0.14 0.05 0.00 0.00 177.00 176.06 1s6l s VAL 124 N 4.80 5.42 -0.14 -0.36 -7.23 0.27 -4.61 120.40 118.56 1s6l s VAL 124 Ca 0.36 -0.10 -0.15 0.00 -1.81 0.00 0.00 61.98 60.29 1s6l s VAL 124 Cb -0.10 -3.50 0.04 0.00 0.56 0.00 0.00 36.38 33.38 1s6l s VAL 124 CO 0.20 0.38 0.41 -0.94 -0.31 0.00 0.00 175.10 174.85 1s6l s SER 125 N -1.75 -0.41 0.04 4.85 1.04 0.50 0.20 113.70 118.16 1s6l s SER 125 Ca 0.25 0.75 0.01 0.00 0.48 0.00 0.00 55.95 57.43 1s6l s SER 125 Cb -0.12 0.78 -0.03 0.00 0.10 0.00 0.00 66.02 66.75 1s6l s SER 125 CO 0.16 -0.20 -0.05 -0.76 0.98 0.00 0.00 173.24 173.37 1s6l s LEU 126 N -0.01 2.29 -0.32 2.42 1.02 0.33 -1.41 118.68 123.00 1s6l s LEU 126 Ca -0.02 -0.61 -0.08 0.00 0.02 0.00 0.00 54.13 53.44 1s6l s LEU 126 Cb -0.03 0.02 0.01 0.00 0.02 0.00 0.00 46.19 46.21 1s6l s LEU 126 CO 0.01 -0.32 0.13 -0.89 0.02 0.00 0.00 176.35 175.30 1s6l s THR 127 N -1.89 4.25 -0.40 5.49 2.01 -0.70 0.11 115.64 124.51 1s6l s THR 127 Ca -0.10 -0.70 -0.17 0.00 0.31 0.00 0.00 61.69 61.03 1s6l s THR 127 Cb -0.07 -3.25 0.01 0.00 0.01 0.00 0.00 72.50 69.20 1s6l s THR 127 CO -0.02 -0.02 0.44 -0.69 -0.69 0.00 0.00 174.62 173.63 1s6l s VAL 128 N 1.53 5.09 0.39 3.82 1.01 0.34 -2.57 120.40 130.01 1s6l s VAL 128 Ca 0.02 -0.17 0.08 0.00 0.00 0.00 0.00 61.98 61.92 1s6l s VAL 128 Cb -0.18 -3.99 -0.02 0.00 0.00 0.00 0.00 36.38 32.19 1s6l s VAL 128 CO 0.04 -0.33 0.36 -0.44 0.00 0.00 0.00 175.10 174.74 1s6l s SER 129 N 1.80 5.16 0.27 3.32 0.01 0.16 0.86 113.70 125.28 1s6l s SER 129 Ca 0.13 -0.65 0.22 0.00 1.31 0.00 0.00 55.95 56.96 1s6l s SER 129 Cb -0.17 -0.70 1.03 0.00 0.21 0.00 0.00 66.02 66.40 1s6l s SER 129 CO 0.13 -0.57 1.67 -2.65 0.41 0.00 0.00 173.24 172.24 1s6l n PRO 130 N -1.51 0.17 -0.00 12.44 -0.02 -1.24 -3.24 135.00 141.59 1s6l n PRO 130 Ca 0.02 0.51 -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 0.43 1.98 0.00 0.00 175.50 177.91 1s6l n SER 131 N -2.22 4.71 0.00 2.55 7.64 -1.26 -4.46 113.62 120.58 1s6l n SER 131 Ca 0.01 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.89 1s6l n SER 131 Cb 0.15 0.69 0.00 0.00 -1.01 0.00 0.00 64.21 64.04 1s6l n SER 131 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 1s6l n GLU 132 N -1.89 -0.34 -3.58 1.43 0.28 -1.20 -5.17 120.64 110.18 1s6l n GLU 132 Ca -0.01 0.00 -0.23 0.00 -0.16 0.00 0.00 57.16 56.76 1s6l n GLU 132 Cb 0.38 0.00 -0.01 0.00 1.43 0.00 0.00 31.44 33.24 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 5.06 0.00 3.84 -4.36 -1.25 0.40 121.20 121.88 1s6l s ILE 133 Ca 0.00 -0.68 0.01 0.00 -0.26 0.00 0.00 60.65 59.72 1s6l s ILE 133 Cb 0.00 -3.82 0.02 0.00 1.25 0.00 0.00 42.46 39.91 1s6l s ILE 133 CO 0.00 -0.45 0.82 0.00 0.24 0.00 0.00 174.94 175.55 1s6l n GLN 134 N -1.66 0.00 -2.82 0.37 1.13 -1.06 -4.91 117.38 108.43 1s6l n GLN 134 Ca -0.06 -0.67 -0.00 0.00 -1.94 0.00 0.00 57.00 54.34 1s6l n GLN 134 Cb 0.57 -0.26 0.01 0.00 0.11 0.00 0.00 30.24 30.67 1s6l n GLN 134 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1s6l s ALA 135 N 0.00 -3.92 -0.32 -1.58 0.00 -1.26 -4.90 121.76 109.78 1s6l s ALA 135 Ca 0.02 0.79 -0.10 0.00 0.00 0.00 0.00 51.96 52.67 1s6l s ALA 135 Cb 0.02 -2.94 -0.01 0.00 0.00 0.00 0.00 23.12 20.19 1s6l s ALA 135 CO -0.01 -2.44 0.17 0.08 0.00 0.00 0.00 175.76 173.56 1s6l s VAL 136 N 1.61 4.73 -0.12 0.00 1.01 -1.26 -1.72 120.40 124.64 1s6l s VAL 136 Ca 0.18 -0.40 -0.05 0.00 0.00 0.00 0.00 61.98 61.72 1s6l s VAL 136 Cb 0.04 -3.42 0.06 0.00 0.00 0.00 0.00 36.38 33.06 1s6l s VAL 136 CO -0.12 0.04 0.24 -1.61 0.00 0.00 0.00 175.10 173.66 1s6l s GLU 137 N 1.63 0.14 0.66 2.72 0.41 -0.50 -3.56 118.70 120.21 1s6l s GLU 137 Ca 0.05 0.67 -0.13 0.00 -0.41 0.00 0.00 54.97 55.15 1s6l s GLU 137 Cb -0.17 -0.09 -0.00 0.00 -1.78 0.00 0.00 34.13 32.09 1s6l s GLU 137 CO 0.07 -0.26 1.07 -1.25 -0.49 0.00 0.00 175.26 174.40 1s6l s PRO 138 N 2.14 2.95 -1.13 0.39 0.04 -1.26 -0.37 135.00 137.75 1s6l s PRO 138 Ca -0.01 1.17 -0.23 0.00 0.04 0.00 0.00 61.00 61.97 1s6l s PRO 138 Cb -0.12 -1.98 -0.12 0.00 0.04 0.00 0.00 34.50 32.32 1s6l s PRO 138 CO -0.08 -1.10 1.95 0.00 0.04 0.00 0.00 177.00 177.81 1s6l n ALA 139 N -2.63 1.70 0.00 8.56 0.00 -1.23 -2.12 120.51 124.79 1s6l n ALA 139 Ca 0.09 -2.94 0.00 0.00 0.00 0.00 0.00 53.44 50.59 1s6l n ALA 139 Cb 0.53 -3.48 0.00 0.00 0.00 0.00 0.00 19.45 16.50 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 5.73 -0.23 3.69 0.00 0.00 -1.26 -5.14 105.19 107.98 1s6l n GLY 140 Ca 0.45 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.14 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 1.53 0.12 1.61 0.00 -0.90 -3.67 119.30 117.99 1s6l s MET 141 Ca 0.00 1.74 0.08 0.00 0.00 0.00 0.00 55.69 57.51 1s6l s MET 141 Cb 0.00 -1.76 -0.04 0.00 0.00 0.00 0.00 34.83 33.03 1s6l s MET 141 CO 0.00 -2.30 -0.20 0.00 0.00 0.00 0.00 175.02 172.53 1s6l s ALA 142 N -2.20 1.84 0.14 3.16 0.00 0.39 -3.80 121.76 121.28 1s6l s ALA 142 Ca 0.73 -1.32 0.08 0.00 0.00 0.00 0.00 51.96 51.44 1s6l s ALA 142 Cb -0.28 -0.21 -0.04 0.00 0.00 0.00 0.00 23.12 22.58 1s6l s ALA 142 CO 0.52 0.30 -0.08 0.08 0.00 0.00 0.00 175.76 176.58 1s6l s VAL 143 N -1.49 3.38 -0.01 0.00 1.01 0.48 0.22 120.40 123.99 1s6l s VAL 143 Ca 0.09 -1.42 0.08 0.00 0.00 0.00 0.00 61.98 60.73 1s6l s VAL 143 Cb -0.08 -2.63 -0.02 0.00 0.00 0.00 0.00 36.38 33.64 1s6l s VAL 143 CO 0.05 0.00 -0.25 -0.94 0.00 0.00 0.00 175.10 173.96 1s6l s SER 144 N -2.54 2.97 0.31 3.32 1.04 0.33 0.31 113.70 119.44 1s6l s SER 144 Ca 0.24 -0.48 0.04 0.00 0.48 0.00 0.00 55.95 56.22 1s6l s SER 144 Cb -0.10 -0.32 -0.04 0.00 0.10 0.00 0.00 66.02 65.67 1s6l s SER 144 CO 0.15 0.29 0.17 -0.22 0.98 0.00 0.00 173.24 174.61 1s6l s LEU 145 N -0.73 1.70 0.21 2.42 2.96 1.00 -2.60 118.68 123.64 1s6l s LEU 145 Ca 0.10 -1.58 0.09 0.00 -0.22 0.00 0.00 54.13 52.51 1s6l s LEU 145 Cb -0.10 0.21 -0.05 0.00 0.50 0.00 0.00 46.19 46.76 1s6l s LEU 145 CO -0.00 -0.91 -0.16 -0.69 -1.32 0.00 0.00 176.35 173.27 1s6l s VAL 146 N -3.57 1.89 0.25 1.68 1.01 -1.26 -0.01 120.40 120.38 1s6l s VAL 146 Ca 0.35 -2.18 -0.12 0.00 0.00 0.00 0.00 61.98 60.04 1s6l s VAL 146 Cb 0.05 -2.04 -0.08 0.00 0.00 0.00 0.00 36.38 34.31 1s6l s VAL 146 CO 0.18 -0.50 0.61 -0.76 0.00 0.00 0.00 175.10 174.63 1s6l s LEU 147 N -3.20 4.16 0.09 3.92 1.43 -1.11 -4.79 118.68 119.18 1s6l s LEU 147 Ca 0.22 1.05 -0.31 0.00 -1.03 0.00 0.00 54.13 54.06 1s6l s LEU 147 Cb -0.03 -3.76 -0.07 0.00 0.03 0.00 0.00 46.19 42.36 1s6l s LEU 147 CO 0.08 -0.09 1.37 -2.16 0.23 0.00 0.00 176.35 175.78 1s6l s PRO 148 N -2.77 4.33 0.07 1.29 0.04 -1.26 -4.82 135.00 131.87 1s6l s PRO 148 Ca 0.48 2.03 0.07 0.00 0.04 0.00 0.00 61.00 63.62 1s6l s PRO 148 Cb -0.11 -3.31 -0.04 0.00 0.04 0.00 0.00 34.50 31.08 1s6l s PRO 148 CO 0.20 -0.44 -0.13 -1.14 0.04 0.00 0.00 177.00 175.53 1s6l s GLN 149 N 1.28 2.15 -0.16 4.56 2.00 -1.26 -5.03 119.66 123.19 1s6l s GLN 149 Ca 0.64 -0.97 0.21 0.00 -2.00 0.00 0.00 55.36 53.24 1s6l s GLN 149 Cb -0.35 -2.28 0.47 0.00 0.80 0.00 0.00 33.01 31.64 1s6l s GLN 149 CO 0.30 0.53 1.15 -1.91 -0.50 0.00 0.00 175.29 174.86 1s6l n GLU 150 N 1.15 1.30 -2.62 1.67 2.13 -1.26 -4.82 120.64 118.19 1s6l n GLU 150 Ca -0.15 -3.02 -0.01 0.00 0.66 0.00 0.00 57.16 54.64 1s6l n GLU 150 Cb 0.52 -1.10 0.08 0.00 0.27 0.00 0.00 31.44 31.21 1s6l n GLU 150 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1s6l n ALA 151 N -0.26 2.78 -2.45 4.31 0.00 -1.26 -5.12 120.51 118.51 1s6l n ALA 151 Ca 0.12 -1.82 -0.22 0.00 0.00 0.00 0.00 53.44 51.52 1s6l n ALA 151 Cb 0.94 -0.82 -0.10 0.00 0.00 0.00 0.00 19.45 19.46 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 -1.62 2.52 1.27 0.00 0.00 -1.26 -5.15 121.76 117.52 1s6l s ALA 152 Ca 0.18 -1.89 -0.15 0.00 0.00 0.00 0.00 51.96 50.10 1s6l s ALA 152 Cb 0.37 -0.05 0.23 0.00 0.00 0.00 0.00 23.12 23.67 1s6l s ALA 152 CO -0.09 0.09 0.52 -0.40 0.00 0.00 0.00 175.76 175.88 1s6l n ASP 153 N -0.60 -3.30 -4.49 0.00 5.68 -1.26 -4.99 116.55 107.60 1s6l n ASP 153 Ca -0.06 -0.52 -0.35 0.00 -0.50 0.00 0.00 54.79 53.36 1s6l n ASP 153 Cb 0.62 -0.60 -0.12 0.00 -1.14 0.00 0.00 41.12 39.88 1s6l n ASP 153 CO 0.00 0.00 0.00 0.68 -1.33 0.00 0.00 177.20 176.55 1s6l s VAL 154 N -1.66 4.18 0.00 2.12 -7.23 -1.26 -4.74 120.40 111.81 1s6l s VAL 154 Ca 0.40 -0.24 0.00 0.00 -1.81 0.00 0.00 61.98 60.33 1s6l s VAL 154 Cb -0.07 -2.90 0.00 0.00 0.56 0.00 0.00 36.38 33.97 1s6l s VAL 154 CO 0.33 0.42 0.00 -1.14 -0.31 0.00 0.00 175.10 174.41 1s6l n ARG 155 N 4.19 0.00 0.00 4.82 0.63 -1.26 -5.02 116.66 120.03 1s6l n ARG 155 Ca -0.17 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.76 1s6l n ARG 155 Cb 0.52 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.43 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 0.00 0.00 -3.64 -0.14 6.02 -1.26 -5.05 117.38 113.31 1s6l n GLN 156 Ca 0.00 0.00 -0.23 0.00 -0.01 0.00 0.00 57.00 56.76 1s6l n GLN 156 Cb 0.00 0.00 0.06 0.00 1.02 0.00 0.00 30.24 31.32 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 -2.07 -3.61 -3.01 1.08 7.64 -1.26 -3.26 113.62 109.12 1s6l n SER 157 Ca 0.00 -0.68 -0.05 0.00 1.01 0.00 0.00 58.87 59.16 1s6l n SER 157 Cb 0.00 -4.61 0.02 0.00 -1.01 0.00 0.00 64.21 58.62 1s6l n SER 157 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1s6l n PHE 158 N -4.53 -2.61 0.16 1.43 3.72 -1.26 -4.86 117.46 109.50 1s6l n PHE 158 Ca -0.14 0.97 0.18 0.00 -0.05 0.00 0.00 57.45 58.41 1s6l n PHE 158 Cb 0.61 -3.96 0.78 0.00 -0.94 0.00 0.00 39.48 35.98 1s6l n PHE 158 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1s6l n HIS 161 N -1.70 -2.28 -3.49 0.00 -0.00 -1.26 -4.62 115.22 101.87 1s6l n HIS 161 Ca 0.00 0.78 -0.42 0.00 -0.00 0.00 0.00 57.72 58.07 1s6l n HIS 161 Cb 0.00 -4.18 -0.10 0.00 -0.00 0.00 0.00 29.99 25.71 1s6l n HIS 161 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.34 176.42 1s6l s VAL 162 N -3.22 5.19 0.40 3.57 1.01 -1.26 -4.51 120.40 121.58 1s6l s VAL 162 Ca 0.53 -0.61 0.08 0.00 0.00 0.00 0.00 61.98 61.97 1s6l s VAL 162 Cb -0.25 -3.85 -0.07 0.00 0.00 0.00 0.00 36.38 32.21 1s6l s VAL 162 CO 0.65 -0.25 0.07 -1.00 0.00 0.00 0.00 175.10 174.57 1s6l s HIS 163 N 1.67 2.55 0.17 5.22 3.76 -1.07 0.78 115.29 128.38 1s6l s HIS 163 Ca 0.05 -0.60 0.11 0.00 -0.15 0.00 0.00 55.06 54.47 1s6l s HIS 163 Cb -0.19 -1.79 -0.04 0.00 1.11 0.00 0.00 32.58 31.67 1s6l s HIS 163 CO 0.10 0.36 -0.23 -0.06 -0.85 0.00 0.00 174.74 174.05 1s6l s PHE 164 N -2.64 2.34 -0.04 1.40 0.40 -1.26 0.12 117.98 118.30 1s6l s PHE 164 Ca 0.37 -0.35 0.03 0.00 -0.60 0.00 0.00 56.93 56.38 1s6l s PHE 164 Cb 0.06 -1.19 0.00 0.00 0.51 0.00 0.00 43.02 42.40 1s6l s PHE 164 CO 0.20 0.45 -0.12 -0.06 0.70 0.00 0.00 175.22 176.39 1s6l s PHE 165 N -1.49 1.33 0.58 0.36 0.08 0.60 -3.38 117.98 116.06 1s6l s PHE 165 Ca 0.19 -0.40 0.37 0.00 0.12 0.00 0.00 56.93 57.21 1s6l s PHE 165 Cb -0.09 -0.94 1.33 0.00 -0.57 0.00 0.00 43.02 42.75 1s6l s PHE 165 CO 0.09 -0.18 1.49 0.00 -0.10 0.00 0.00 175.22 176.52 1s6l h ALA 166 N 6.55 3.30 -2.31 5.36 0.00 -1.90 1.12 119.26 131.38 1s6l h ALA 166 Ca -0.33 -0.05 0.20 0.00 0.00 0.00 0.00 54.91 54.73 1s6l h ALA 166 Cb 1.18 0.10 -0.06 0.00 0.00 0.00 0.00 17.79 19.01 1s6l h ALA 166 CO 0.48 -1.95 0.59 -1.54 0.00 0.00 0.00 179.25 176.83 1s6l s SER 167 N -3.86 -0.07 0.28 0.00 1.04 -1.26 -3.34 113.70 106.49 1s6l s SER 167 Ca -0.04 -0.49 0.04 0.00 0.48 0.00 0.00 55.95 55.94 1s6l s SER 167 Cb 0.20 0.44 0.41 0.00 0.10 0.00 0.00 66.02 67.17 1s6l s SER 167 CO 0.67 -0.85 1.69 0.58 0.98 0.00 0.00 173.24 176.31 1s6l h VAL 168 N 2.00 1.30 -0.18 5.02 2.07 -1.83 0.73 116.25 125.36 1s6l h VAL 168 Ca -0.26 -1.46 -0.19 0.00 0.82 0.00 0.00 66.70 65.60 1s6l h VAL 168 Cb 1.22 1.58 0.00 0.00 -1.52 0.00 0.00 31.29 32.57 1s6l h VAL 168 CO 0.31 0.45 -0.67 -0.65 0.02 0.00 0.00 177.57 177.02 1s6l h PRO 169 N 0.30 0.69 0.04 1.57 0.11 -1.95 0.94 132.00 133.70 1s6l h PRO 169 Ca 0.03 -0.50 -0.27 0.00 0.11 0.00 0.00 66.00 65.36 1s6l h PRO 169 Cb 0.79 0.09 0.02 0.00 0.11 0.00 0.00 31.00 32.01 1s6l h PRO 169 CO 0.06 1.12 -1.10 1.15 -0.21 0.00 0.00 178.00 179.03 1s6l h THR 170 N 0.50 1.29 -0.34 -1.15 2.02 -1.93 4.80 112.91 118.09 1s6l h THR 170 Ca -0.02 -2.34 -0.01 0.00 0.77 0.00 0.00 66.41 64.80 1s6l h THR 170 Cb 1.27 2.49 -0.02 0.00 -1.74 0.00 0.00 68.15 70.15 1s6l h THR 170 CO 0.13 0.72 0.16 0.00 0.37 0.00 0.00 175.52 176.90 1s6l h ALA 171 N 0.40 0.44 0.00 6.16 0.00 0.56 1.14 119.26 127.96 1s6l h ALA 171 Ca -0.14 -0.10 -0.16 0.00 0.00 0.00 0.00 54.91 54.50 1s6l h ALA 171 Cb 1.76 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 19.39 1s6l h ALA 171 CO 0.21 0.00 -0.76 0.93 0.00 0.00 0.00 179.25 179.63 1s6l h GLU 172 N 0.41 0.00 0.26 0.00 5.08 0.99 0.27 114.58 121.60 1s6l h GLU 172 Ca 0.12 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.46 1s6l h GLU 172 Cb 0.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.38 1s6l h GLU 172 CO -0.01 0.76 -0.12 0.22 -1.00 0.00 0.00 179.01 178.85 1s6l h ASP 173 N 0.00 -0.29 0.23 1.42 3.58 1.02 -0.85 116.42 121.53 1s6l h ASP 173 Ca -0.01 -0.23 -0.04 0.00 0.42 0.00 0.00 57.03 57.18 1s6l h ASP 173 Cb 1.53 0.08 -0.01 0.00 1.72 0.00 0.00 39.33 42.65 1s6l h ASP 173 CO 0.10 0.19 -0.17 -0.25 -2.88 0.00 0.00 179.24 176.23 1s6l h TRP 174 N -0.91 0.00 -0.64 0.28 2.91 0.12 -1.70 115.95 116.01 1s6l h TRP 174 Ca -0.04 0.00 -0.03 0.00 1.13 0.00 0.00 58.89 59.95 1s6l h TRP 174 Cb 0.50 0.00 -0.03 0.00 -0.51 0.00 0.00 29.16 29.12 1s6l h TRP 174 CO 0.05 0.17 0.27 0.00 -1.03 0.00 0.00 178.44 177.90 1s6l h ALA 175 N 1.83 0.83 -0.91 2.65 0.00 -0.82 -2.18 119.26 120.66 1s6l h ALA 175 Ca -0.00 -0.16 0.17 0.00 0.00 0.00 0.00 54.91 54.91 1s6l h ALA 175 Cb 0.33 -0.25 -0.10 0.00 0.00 0.00 0.00 17.79 17.77 1s6l h ALA 175 CO 0.02 0.43 0.49 0.77 0.00 0.00 0.00 179.25 180.96 1s6l h SER 176 N 0.89 0.59 -0.50 0.00 0.02 -0.18 0.52 113.55 114.90 1s6l h SER 176 Ca 0.21 0.10 -0.04 0.00 -0.84 0.00 0.00 61.79 61.22 1s6l h SER 176 Cb 0.18 0.01 -0.03 0.00 0.14 0.00 0.00 62.40 62.70 1s6l h SER 176 CO -0.02 0.21 0.05 0.29 -1.14 0.00 0.00 176.83 176.23 1s6l n LYS 177 N -4.86 3.91 -0.89 3.45 4.01 -0.95 -3.95 118.16 118.89 1s6l n LYS 177 Ca 0.20 -2.51 0.05 0.00 -0.51 0.00 0.00 58.31 55.54 1s6l n LYS 177 Cb 0.50 -2.10 0.12 0.00 -0.51 0.00 0.00 35.03 33.05 1s6l n LYS 177 CO 0.00 0.00 0.00 1.58 -1.11 0.00 0.00 177.40 177.87 1s6l n HIS 178 N 0.36 0.00 -2.54 2.13 -0.00 0.18 -5.07 115.22 110.29 1s6l n HIS 178 Ca 0.25 -1.02 -0.22 0.00 0.46 0.00 0.00 57.72 57.19 1s6l n HIS 178 Cb 1.06 -0.20 0.05 0.00 -0.12 0.00 0.00 29.99 30.78 1s6l n HIS 178 CO 0.00 0.00 0.00 -0.65 0.46 0.00 0.00 176.34 176.15 1s6l s GLN 179 N -1.85 2.35 0.00 1.57 -0.21 -1.14 -4.42 119.66 115.94 1s6l s GLN 179 Ca 0.34 -0.72 0.00 0.00 0.02 0.00 0.00 55.36 55.00 1s6l s GLN 179 Cb 0.35 -2.40 0.00 0.00 1.00 0.00 0.00 33.01 31.96 1s6l s GLN 179 CO -0.10 -0.93 0.00 0.41 -2.12 0.00 0.00 175.29 172.56 1s6l n GLY 180 N -2.53 3.05 2.07 3.09 0.00 -1.26 -5.04 105.19 104.57 1s6l n GLY 180 Ca 0.09 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.92 1s6l n GLY 180 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1s6l n LEU 181 N 0.00 0.00 -3.44 0.99 4.77 -1.26 -4.75 117.00 113.31 1s6l n LEU 181 Ca 0.00 -0.62 -0.34 0.00 -0.03 0.00 0.00 56.01 55.02 1s6l n LEU 181 Cb 0.00 -0.63 -0.04 0.00 -2.33 0.00 0.00 43.42 40.42 1s6l n LEU 181 CO 0.00 -2.12 2.20 -0.62 -1.33 0.00 0.00 177.39 175.52 1s6l n GLU 182 N -4.10 1.71 0.00 3.23 4.71 -1.26 -4.65 120.64 120.28 1s6l n GLU 182 Ca 0.09 -1.68 0.00 0.00 -0.01 0.00 0.00 57.16 55.56 1s6l n GLU 182 Cb 0.37 -2.73 0.00 0.00 -1.01 0.00 0.00 31.44 28.08 1s6l n GLU 182 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1s6l n GLY 183 N 4.22 1.60 1.87 0.62 0.00 -1.26 -2.75 105.19 109.50 1s6l n GLY 183 Ca 0.47 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 46.11 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 -5.78 -3.95 0.99 7.94 -1.26 -4.82 117.00 110.12 1s6l n LEU 184 Ca 0.00 2.98 -0.10 0.00 -1.11 0.00 0.00 56.01 57.78 1s6l n LEU 184 Cb 0.00 -2.92 -0.11 0.00 0.53 0.00 0.00 43.42 40.93 1s6l n LEU 184 CO 0.00 -1.39 -0.31 0.00 -1.11 0.00 0.00 177.39 174.58 1s6l s ALA 185 N -0.76 0.00 0.22 1.96 0.00 0.98 -4.90 121.76 119.26 1s6l s ALA 185 Ca 0.00 -0.47 0.05 0.00 0.00 0.00 0.00 51.96 51.53 1s6l s ALA 185 Cb 0.00 0.14 -0.03 0.00 0.00 0.00 0.00 23.12 23.23 1s6l s ALA 185 CO 0.00 -0.18 0.34 0.42 0.00 0.00 0.00 175.76 176.35 1s6l s ILE 186 N -1.46 5.25 0.15 0.00 -1.09 -1.26 -0.00 121.20 122.78 1s6l s ILE 186 Ca -0.15 -0.94 -0.24 0.00 -2.23 0.00 0.00 60.65 57.08 1s6l s ILE 186 Cb -0.09 -3.83 0.07 0.00 -1.58 0.00 0.00 42.46 37.03 1s6l s ILE 186 CO -0.00 -0.29 0.71 0.68 -1.23 0.00 0.00 174.94 174.81 1s6l s VAL 187 N -1.94 0.00 -0.09 2.92 -7.23 0.15 -4.92 120.40 109.28 1s6l s VAL 187 Ca 0.34 -0.23 -0.21 0.00 -1.81 0.00 0.00 61.98 60.07 1s6l s VAL 187 Cb -0.09 -1.26 -0.04 0.00 0.56 0.00 0.00 36.38 35.55 1s6l s VAL 187 CO 0.29 0.00 0.62 -0.44 -0.31 0.00 0.00 175.10 175.26 1s6l s SER 188 N -2.74 6.86 0.65 4.85 0.01 -1.26 0.18 113.70 122.26 1s6l s SER 188 Ca 0.04 1.04 0.16 0.00 1.31 0.00 0.00 55.95 58.51 1s6l s SER 188 Cb -0.02 -2.36 0.85 0.00 0.21 0.00 0.00 66.02 64.70 1s6l s SER 188 CO -0.07 -0.09 1.47 -0.37 0.41 0.00 0.00 173.24 174.59 1s6l h VAL 189 N 4.78 0.02 -0.11 3.43 -1.51 -1.89 1.27 116.25 122.25 1s6l h VAL 189 Ca -0.40 0.00 -0.18 0.00 -1.23 0.00 0.00 66.70 64.88 1s6l h VAL 189 Cb 1.19 0.32 0.01 0.00 -2.13 0.00 0.00 31.29 30.68 1s6l h VAL 189 CO 0.76 0.00 -0.65 -0.74 -1.23 0.00 0.00 177.57 175.70 1s6l h HIS 190 N 0.00 0.86 0.00 5.19 6.17 -1.91 -2.92 115.15 122.54 1s6l h HIS 190 Ca 0.05 -0.39 -0.03 0.00 0.71 0.00 0.00 60.37 60.71 1s6l h HIS 190 Cb 1.45 -0.13 -0.00 0.00 2.52 0.00 0.00 27.41 31.25 1s6l h HIS 190 CO 0.00 1.20 -0.34 0.93 0.71 0.00 0.00 177.93 180.43 1s6l h GLU 191 N 0.28 0.00 0.00 5.26 5.08 0.10 -3.21 114.58 122.09 1s6l h GLU 191 Ca -0.05 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.25 1s6l h GLU 191 Cb 1.30 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.54 1s6l h GLU 191 CO 0.13 0.11 -0.26 0.00 -1.00 0.00 0.00 179.01 177.99 1s6l h ALA 192 N 1.88 1.07 0.00 3.43 0.00 -0.45 -1.72 119.26 123.47 1s6l h ALA 192 Ca -0.01 -0.23 -0.11 0.00 0.00 0.00 0.00 54.91 54.56 1s6l h ALA 192 Cb 1.10 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 1s6l h ALA 192 CO 0.01 0.32 -0.59 0.35 0.00 0.00 0.00 179.25 179.35 1s6l h PHE 193 N 0.00 0.00 0.03 0.00 3.04 -1.51 -0.92 116.94 117.58 1s6l h PHE 193 Ca -0.00 0.00 -0.25 0.00 3.98 0.00 0.00 57.97 61.70 1s6l h PHE 193 Cb 0.72 0.00 -0.03 0.00 2.56 0.00 0.00 35.95 39.20 1s6l h PHE 193 CO 0.00 0.49 -1.25 0.78 -2.02 0.00 0.00 178.31 176.31 1s6l h GLY 194 N 3.54 0.07 1.79 2.40 0.00 -1.54 0.17 103.07 109.49 1s6l h GLY 194 Ca -0.02 -0.17 -0.21 0.00 0.00 0.00 0.00 47.33 46.93 1s6l h GLY 194 CO 0.06 0.15 -1.08 -2.00 0.00 0.00 0.00 176.54 173.68 1s6l h LEU 195 N 0.02 0.00 0.00 3.11 5.85 -1.37 -1.67 115.31 121.25 1s6l h LEU 195 Ca -0.11 0.00 -0.17 0.00 0.84 0.00 0.00 57.88 58.43 1s6l h LEU 195 Cb 1.88 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.88 1s6l h LEU 195 CO 0.13 0.93 -0.98 1.23 -0.34 0.00 0.00 178.44 179.40 1s6l h GLY 196 N 3.17 0.00 1.77 3.75 0.00 -1.20 -3.13 103.07 107.43 1s6l h GLY 196 Ca -0.06 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.22 1s6l h GLY 196 CO 0.11 0.00 -0.41 -1.61 0.00 0.00 0.00 176.54 174.63 1s6l h GLN 197 N 0.00 0.00 0.00 4.80 4.15 -0.66 -3.26 115.11 120.14 1s6l h GLN 197 Ca -0.07 0.00 -0.14 0.00 0.77 0.00 0.00 58.65 59.21 1s6l h GLN 197 Cb 1.63 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 29.30 1s6l h GLN 197 CO 0.09 0.17 -0.70 1.49 -1.93 0.00 0.00 178.83 177.94 1s6l h GLU 198 N 0.00 0.00 -0.75 1.69 4.81 -1.34 -3.28 114.58 115.72 1s6l h GLU 198 Ca -0.01 0.00 0.21 0.00 -0.13 0.00 0.00 59.36 59.43 1s6l h GLU 198 Cb 1.16 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.51 1s6l h GLU 198 CO 0.02 0.59 0.53 0.74 -0.73 0.00 0.00 179.01 180.16 1s6l h PHE 199 N 0.00 0.06 -0.15 0.92 0.04 -1.59 -1.94 116.94 114.28 1s6l h PHE 199 Ca -0.02 0.00 0.05 0.00 2.80 0.00 0.00 57.97 60.80 1s6l h PHE 199 Cb 1.49 -0.02 -0.06 0.00 2.20 0.00 0.00 35.95 39.56 1s6l h PHE 199 CO 0.00 0.02 -0.29 -0.91 -0.60 0.00 0.00 178.31 176.52 1s6l h ASN 200 N 0.04 -0.92 -0.31 2.17 2.35 -1.76 0.22 115.58 117.38 1s6l h ASN 200 Ca 0.36 0.14 0.04 0.00 -0.55 0.00 0.00 56.30 56.29 1s6l h ASN 200 Cb 1.36 0.40 -0.02 0.00 0.05 0.00 0.00 38.32 40.12 1s6l h ASN 200 CO -0.02 -0.34 0.21 -0.09 -1.65 0.00 0.00 177.43 175.54 1s6l h ARG 201 N -0.36 0.22 -0.21 0.81 2.43 -1.60 0.71 114.38 116.39 1s6l h ARG 201 Ca 0.10 -0.01 -0.20 0.00 -0.81 0.00 0.00 59.98 59.06 1s6l h ARG 201 Cb 0.52 -0.05 0.01 0.00 -0.42 0.00 0.00 29.97 30.02 1s6l h ARG 201 CO -0.35 0.15 -0.65 0.45 -1.51 0.00 0.00 179.97 178.06 1s6l h HIS 202 N 0.23 1.05 0.01 2.20 3.86 -1.02 -3.22 115.15 118.26 1s6l h HIS 202 Ca 0.13 -0.42 -0.21 0.00 -1.16 0.00 0.00 60.37 58.71 1s6l h HIS 202 Cb 0.25 -0.18 -0.03 0.00 1.06 0.00 0.00 27.41 28.51 1s6l h HIS 202 CO -0.00 1.25 -0.99 -0.07 0.86 0.00 0.00 177.93 178.98 1s6l h LEU 203 N 0.56 0.02 -1.92 2.43 3.38 0.26 -3.24 115.31 116.80 1s6l h LEU 203 Ca -0.02 -0.02 0.09 0.00 0.09 0.00 0.00 57.88 58.02 1s6l h LEU 203 Cb 1.27 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 42.00 1s6l h LEU 203 CO 0.14 0.99 0.26 0.25 0.09 0.00 0.00 178.44 180.18 1s6l h LEU 204 N 0.00 0.09 -9.32 1.67 6.46 0.39 -3.41 115.31 111.19 1s6l h LEU 204 Ca -0.02 0.00 -0.54 0.00 -0.12 0.00 0.00 57.88 57.20 1s6l h LEU 204 Cb 1.74 -0.02 0.00 0.00 -0.73 0.00 0.00 40.66 41.65 1s6l h LEU 204 CO 0.13 0.05 1.07 -1.10 -0.62 0.00 0.00 178.44 177.97 1s6l s GLN 205 N -5.12 4.19 0.15 1.25 -1.52 -1.22 -4.90 119.66 112.48 1s6l s GLN 205 Ca -0.06 2.25 -0.17 0.00 -1.95 0.00 0.00 55.36 55.43 1s6l s GLN 205 Cb 0.19 -3.90 -0.00 0.00 -0.22 0.00 0.00 33.01 29.08 1s6l s GLN 205 CO 0.72 -0.82 1.80 0.00 -0.25 0.00 0.00 175.29 176.74 1s6l h THR 206 N 5.38 1.07 -2.64 -0.19 1.03 -1.91 -3.46 112.91 112.20 1s6l h THR 206 Ca -0.41 -0.16 -0.02 0.00 -0.01 0.00 0.00 66.41 65.81 1s6l h THR 206 Cb 1.19 0.57 -0.14 0.00 -1.07 0.00 0.00 68.15 68.70 1s6l h THR 206 CO 0.94 0.08 0.23 -0.04 -0.01 0.00 0.00 175.52 176.72 1s6l s MET 207 N -6.16 1.18 0.56 0.00 -1.94 -1.26 -5.15 119.30 106.52 1s6l s MET 207 Ca -0.13 -0.23 0.00 0.00 -1.71 0.00 0.00 55.69 53.62 1s6l s MET 207 Cb 0.10 0.55 0.00 0.00 2.01 0.00 0.00 34.83 37.49 1s6l s MET 207 CO 0.72 -0.47 0.00 0.45 -0.01 0.00 0.00 175.02 175.70 1s6l n SER 208 N 0.03 -8.26 -3.25 3.03 2.88 -1.26 -4.93 113.62 101.86 1s6l n SER 208 Ca -0.17 1.24 -0.13 0.00 -1.33 0.00 0.00 58.87 58.48 1s6l n SER 208 Cb 0.62 -4.81 -0.06 0.00 -0.75 0.00 0.00 64.21 59.21 1s6l n SER 208 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1s6l s SER 209 N -7.25 0.35 -0.32 -3.46 1.04 -1.26 -4.95 113.70 97.84 1s6l s SER 209 Ca 0.00 -1.68 -0.18 0.00 0.48 0.00 0.00 55.95 54.57 1s6l s SER 209 Cb 0.00 0.87 -0.01 0.00 0.10 0.00 0.00 66.02 66.98 1s6l s SER 209 CO 0.00 -0.20 0.52 -0.13 0.98 0.00 0.00 173.24 174.41 1s6l s ARG 210 N 1.22 3.80 0.06 4.02 1.81 -1.26 -4.65 118.95 123.95 1s6l s ARG 210 Ca 0.21 0.03 0.00 0.00 -1.72 0.00 0.00 55.73 54.25 1s6l s ARG 210 Cb -0.09 -3.75 0.00 0.00 -0.45 0.00 0.00 34.95 30.66 1s6l s ARG 210 CO -0.06 -0.54 0.00 2.41 -0.68 0.00 0.00 175.30 176.44 1s6l n THR 211 N 5.34 0.00 0.00 0.02 -1.04 -1.26 -5.29 114.28 112.05 1s6l n THR 211 Ca -0.04 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.97 1s6l n THR 211 Cb 0.49 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.00 1s6l n THR 211 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62