#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 6.44 -0.06 0.00 1.01 -1.26 -5.02 116.67 117.78 1s6l s ASP 22 Ca 0.00 -0.03 0.01 0.00 0.71 0.00 0.00 52.55 53.24 1s6l s ASP 22 Cb 0.00 -2.40 0.02 0.00 1.01 0.00 0.00 42.92 41.55 1s6l s ASP 22 CO 0.00 -0.94 -0.07 -0.76 0.21 0.00 0.00 175.17 173.61 1s6l s LEU 23 N 3.39 1.36 -0.69 1.23 1.43 -1.26 -5.08 118.68 119.07 1s6l s LEU 23 Ca 0.32 -0.20 0.05 0.00 -1.03 0.00 0.00 54.13 53.27 1s6l s LEU 23 Cb -0.12 -0.61 0.19 0.00 0.03 0.00 0.00 46.19 45.68 1s6l s LEU 23 CO 0.23 -0.04 0.56 0.18 0.23 0.00 0.00 176.35 177.51 1s6l n LEU 24 N 4.16 3.15 -3.98 1.79 7.99 -1.26 -4.90 117.00 123.96 1s6l n LEU 24 Ca -0.21 -5.26 -0.43 0.00 -0.01 0.00 0.00 56.01 50.10 1s6l n LEU 24 Cb 0.51 -0.71 0.03 0.00 -0.11 0.00 0.00 43.42 43.14 1s6l n LEU 24 CO 0.22 1.84 -0.14 0.55 -1.51 0.00 0.00 177.39 178.35 1s6l n VAL 25 N 1.68 -3.56 0.05 4.08 3.14 -1.26 -4.81 118.33 117.64 1s6l n VAL 25 Ca 0.23 -0.70 0.18 0.00 -2.96 0.00 0.00 64.34 61.08 1s6l n VAL 25 Cb 0.37 -2.84 0.68 0.00 -1.06 0.00 0.00 33.84 30.99 1s6l n VAL 25 CO 0.00 0.00 0.00 -0.65 -6.46 0.00 0.00 176.83 169.72 1s6l h PRO 26 N -2.46 0.01 0.14 1.45 0.11 -2.00 -2.75 132.00 126.50 1s6l h PRO 26 Ca -0.70 -0.00 0.02 0.00 0.11 0.00 0.00 66.00 65.42 1s6l h PRO 26 Cb 1.40 -0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.46 1s6l h PRO 26 CO 0.51 0.00 -0.42 1.37 -0.21 0.00 0.00 178.00 179.26 1s6l h LEU 27 N 0.01 -1.22 -2.19 2.35 8.10 -1.97 -0.75 115.31 119.63 1s6l h LEU 27 Ca 0.20 0.13 -0.01 0.00 0.11 0.00 0.00 57.88 58.32 1s6l h LEU 27 Cb 0.80 0.45 -0.00 0.00 -0.44 0.00 0.00 40.66 41.48 1s6l h LEU 27 CO -0.00 -0.49 -0.03 -0.07 -4.11 0.00 0.00 178.44 173.73 1s6l h LEU 28 N -0.66 0.00 0.32 0.17 3.38 -1.85 0.31 115.31 116.98 1s6l h LEU 28 Ca 0.02 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 1s6l h LEU 28 Cb 0.68 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.44 1s6l h LEU 28 CO -0.23 0.03 -0.16 -0.09 0.09 0.00 0.00 178.44 178.09 1s6l h ARG 29 N 0.00 -0.42 0.00 1.13 9.65 -1.09 0.66 114.38 124.31 1s6l h ARG 29 Ca -0.00 0.03 -0.09 0.00 -1.10 0.00 0.00 59.98 58.82 1s6l h ARG 29 Cb 0.07 0.10 -0.01 0.00 -1.39 0.00 0.00 29.97 28.73 1s6l h ARG 29 CO 0.00 -0.28 -0.43 1.49 2.80 0.00 0.00 179.97 183.56 1s6l h GLU 30 N -0.44 0.00 0.14 0.20 4.22 -0.96 -3.27 114.58 114.47 1s6l h GLU 30 Ca -0.04 0.00 -0.01 0.00 0.08 0.00 0.00 59.36 59.39 1s6l h GLU 30 Cb 0.34 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.59 1s6l h GLU 30 CO 0.07 0.43 -0.07 1.25 -2.18 0.00 0.00 179.01 178.51 1s6l h LEU 31 N 0.00 -0.16 -2.08 1.64 5.85 0.15 -2.84 115.31 117.87 1s6l h LEU 31 Ca -0.00 -0.28 0.06 0.00 0.84 0.00 0.00 57.88 58.50 1s6l h LEU 31 Cb 1.17 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 42.23 1s6l h LEU 31 CO 0.06 0.21 0.34 0.00 -0.34 0.00 0.00 178.44 178.70 1s6l h ALA 32 N 0.23 1.75 0.00 1.25 0.00 0.26 0.73 119.26 123.49 1s6l h ALA 32 Ca -0.02 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 1s6l h ALA 32 Cb 0.43 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1s6l h ALA 32 CO 0.03 -0.45 -0.19 -0.22 0.00 0.00 0.00 179.25 178.42 1s6l h LYS 33 N 0.00 0.00 -5.27 0.00 3.11 -1.56 -3.48 116.57 109.38 1s6l h LYS 33 Ca 0.10 0.00 -0.30 0.00 -2.81 0.00 0.00 60.65 57.64 1s6l h LYS 33 Cb 0.77 0.00 0.15 0.00 -1.00 0.00 0.00 32.23 32.15 1s6l h LYS 33 CO -0.00 0.19 -0.68 0.41 -2.81 0.00 0.00 179.45 176.56 1s6l n GLY 34 N 0.07 -0.29 3.30 5.01 0.00 0.25 -5.03 105.19 108.51 1s6l n GLY 34 Ca 0.00 0.05 -0.16 0.00 0.00 0.00 0.00 46.02 45.91 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 -5.30 1.27 -0.21 1.61 0.52 -1.26 -5.11 118.95 110.48 1s6l s ARG 35 Ca 0.04 -1.64 -0.29 0.00 -0.52 0.00 0.00 55.73 53.32 1s6l s ARG 35 Cb -0.02 -0.43 -0.03 0.00 0.52 0.00 0.00 34.95 34.99 1s6l s ARG 35 CO 0.65 -0.15 1.62 -1.25 0.02 0.00 0.00 175.30 176.20 1s6l s PRO 36 N -3.91 3.81 -0.24 3.54 0.04 -1.26 -4.92 135.00 132.05 1s6l s PRO 36 Ca 0.29 1.69 0.01 0.00 0.04 0.00 0.00 61.00 63.03 1s6l s PRO 36 Cb 0.06 -4.03 0.06 0.00 0.04 0.00 0.00 34.50 30.63 1s6l s PRO 36 CO 0.08 -1.28 -0.07 0.54 0.04 0.00 0.00 177.00 176.32 1s6l s VAL 37 N 5.16 1.70 0.63 -0.36 0.11 -1.26 -5.07 120.40 121.30 1s6l s VAL 37 Ca 0.72 -1.34 -0.11 0.00 -2.93 0.00 0.00 61.98 58.32 1s6l s VAL 37 Cb -0.25 -1.93 0.15 0.00 -1.53 0.00 0.00 36.38 32.82 1s6l s VAL 37 CO 0.29 -0.09 0.83 -1.54 -3.33 0.00 0.00 175.10 171.26 1s6l n SER 38 N 4.61 -0.09 0.09 3.54 3.41 -1.26 -3.30 113.62 120.62 1s6l n SER 38 Ca -0.12 -1.27 -0.11 0.00 -0.26 0.00 0.00 58.87 57.10 1s6l n SER 38 Cb 0.43 -0.64 -0.08 0.00 -0.26 0.00 0.00 64.21 63.67 1s6l n SER 38 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 1s6l h ARG 39 N 0.00 0.22 0.00 4.33 -0.00 -1.97 -1.31 114.38 115.64 1s6l h ARG 39 Ca -0.27 -0.29 -0.06 0.00 -0.50 0.00 0.00 59.98 58.86 1s6l h ARG 39 Cb 0.75 0.10 -0.01 0.00 0.00 0.00 0.00 29.97 30.81 1s6l h ARG 39 CO 0.19 1.07 -0.27 1.79 0.00 0.00 0.00 179.97 182.75 1s6l h THR 40 N 0.09 1.00 0.17 2.04 1.35 -1.96 1.50 112.91 117.11 1s6l h THR 40 Ca -0.07 -0.98 -0.32 0.00 -0.55 0.00 0.00 66.41 64.49 1s6l h THR 40 Cb 1.72 1.56 0.01 0.00 -1.73 0.00 0.00 68.15 69.71 1s6l h THR 40 CO 0.16 0.26 -1.56 0.74 -0.25 0.00 0.00 175.52 174.88 1s6l h THR 41 N 0.00 1.04 -0.54 6.82 2.02 -1.93 1.23 112.91 121.56 1s6l h THR 41 Ca -0.00 -2.50 -0.04 0.00 0.77 0.00 0.00 66.41 64.63 1s6l h THR 41 Cb 0.54 2.81 -0.03 0.00 -1.74 0.00 0.00 68.15 69.73 1s6l h THR 41 CO 0.03 0.80 0.16 0.25 0.37 0.00 0.00 175.52 177.13 1s6l h LEU 42 N -0.04 0.76 -0.11 2.58 7.12 -0.92 2.03 115.31 126.72 1s6l h LEU 42 Ca -0.31 -0.12 -0.16 0.00 0.13 0.00 0.00 57.88 57.42 1s6l h LEU 42 Cb 1.98 -0.20 0.01 0.00 -0.53 0.00 0.00 40.66 41.92 1s6l h LEU 42 CO 0.15 0.73 -0.55 0.00 -0.13 0.00 0.00 178.44 178.64 1s6l h ALA 43 N 1.38 0.22 0.00 1.25 0.00 0.21 0.94 119.26 123.26 1s6l h ALA 43 Ca 0.18 -0.52 -0.08 0.00 0.00 0.00 0.00 54.91 54.49 1s6l h ALA 43 Cb 0.25 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1s6l h ALA 43 CO -0.01 0.43 -0.38 0.78 0.00 0.00 0.00 179.25 180.08 1s6l h GLY 44 N 0.20 0.00 0.98 0.00 0.00 0.24 0.45 103.07 104.94 1s6l h GLY 44 Ca -0.04 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 47.04 1s6l h GLY 44 CO 0.11 0.00 -1.06 -2.22 0.00 0.00 0.00 176.54 173.37 1s6l h ILE 45 N 0.00 1.38 0.00 2.60 2.04 0.33 -3.11 117.51 120.75 1s6l h ILE 45 Ca -0.00 -2.49 0.00 0.00 1.00 0.00 0.00 64.86 63.36 1s6l h ILE 45 Cb 0.69 2.95 0.00 0.00 -0.74 0.00 0.00 36.82 39.72 1s6l h ILE 45 CO 0.05 0.73 0.00 0.18 0.00 0.00 0.00 178.15 179.11 1s6l n LEU 46 N -3.95 0.00 -1.56 1.44 4.32 0.32 -4.84 117.00 112.72 1s6l n LEU 46 Ca -0.14 0.49 -0.19 0.00 -0.02 0.00 0.00 56.01 56.15 1s6l n LEU 46 Cb 0.92 -0.49 -0.07 0.00 -1.62 0.00 0.00 43.42 42.15 1s6l n LEU 46 CO 0.54 -0.08 -0.19 -0.67 -1.22 0.00 0.00 177.39 175.77 1s6l n ASP 47 N -1.49 -5.33 -4.89 -1.43 2.03 0.13 -4.96 116.55 100.60 1s6l n ASP 47 Ca 0.06 0.41 -0.28 0.00 0.52 0.00 0.00 54.79 55.50 1s6l n ASP 47 Cb 0.28 -4.50 -0.04 0.00 -0.72 0.00 0.00 41.12 36.14 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 -2.74 3.41 0.28 -0.67 0.23 0.70 -4.99 118.94 115.16 1s6l s TRP 48 Ca 0.00 0.14 -0.29 0.00 -2.03 0.00 0.00 56.10 53.92 1s6l s TRP 48 Cb 0.00 -1.67 -0.10 0.00 0.03 0.00 0.00 33.47 31.73 1s6l s TRP 48 CO 0.00 0.54 1.21 -1.25 0.96 0.00 0.00 176.95 178.42 1s6l s PRO 49 N -2.84 4.49 0.61 4.98 0.04 -1.26 -4.35 135.00 136.67 1s6l s PRO 49 Ca 0.33 2.00 0.20 0.00 0.04 0.00 0.00 61.00 63.58 1s6l s PRO 49 Cb -0.12 -3.15 1.09 0.00 0.04 0.00 0.00 34.50 32.36 1s6l s PRO 49 CO 0.27 -0.02 1.59 0.00 0.04 0.00 0.00 177.00 178.88 1s6l h ALA 50 N 3.92 1.48 0.02 8.56 0.00 -1.92 0.31 119.26 131.63 1s6l h ALA 50 Ca -0.47 0.00 -0.21 0.00 0.00 0.00 0.00 54.91 54.23 1s6l h ALA 50 Cb 1.22 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.99 1s6l h ALA 50 CO 0.68 -0.48 -0.96 0.93 0.00 0.00 0.00 179.25 179.42 1s6l h GLU 51 N 0.00 0.07 -0.51 0.00 5.08 -1.99 -2.28 114.58 114.96 1s6l h GLU 51 Ca 0.00 -0.10 -0.12 0.00 -1.00 0.00 0.00 59.36 58.14 1s6l h GLU 51 Cb 1.00 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.27 1s6l h GLU 51 CO 0.00 0.97 -0.15 -0.09 -1.00 0.00 0.00 179.01 178.74 1s6l h ARG 52 N 0.03 1.00 -0.17 2.33 2.43 -0.74 0.94 114.38 120.19 1s6l h ARG 52 Ca -0.03 -0.39 -0.00 0.00 -0.81 0.00 0.00 59.98 58.74 1s6l h ARG 52 Cb 1.66 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 31.15 1s6l h ARG 52 CO 0.13 1.07 0.09 0.28 -1.51 0.00 0.00 179.97 180.04 1s6l h VAL 53 N 0.86 1.11 -0.17 0.20 2.07 -1.53 -1.45 116.25 117.34 1s6l h VAL 53 Ca 0.13 -0.29 0.05 0.00 0.82 0.00 0.00 66.70 67.40 1s6l h VAL 53 Cb 0.72 0.98 -0.06 0.00 -1.52 0.00 0.00 31.29 31.42 1s6l h VAL 53 CO 0.06 0.10 -0.20 0.00 0.02 0.00 0.00 177.57 177.55 1s6l h ALA 54 N 0.98 -0.12 -0.77 1.67 0.00 -1.09 0.81 119.26 120.75 1s6l h ALA 54 Ca 0.06 0.06 0.12 0.00 0.00 0.00 0.00 54.91 55.14 1s6l h ALA 54 Cb 0.08 0.41 -0.08 0.00 0.00 0.00 0.00 17.79 18.19 1s6l h ALA 54 CO -0.01 -0.64 0.38 0.00 0.00 0.00 0.00 179.25 178.98 1s6l h ALA 55 N 0.80 1.10 0.00 0.00 0.00 -0.56 0.13 119.26 120.73 1s6l h ALA 55 Ca 0.11 0.07 -0.15 0.00 0.00 0.00 0.00 54.91 54.95 1s6l h ALA 55 Cb 0.40 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1s6l h ALA 55 CO -0.30 -0.07 -0.70 0.28 0.00 0.00 0.00 179.25 178.45 1s6l h VAL 56 N 0.60 1.44 -0.40 0.00 2.07 -0.28 -3.19 116.25 116.49 1s6l h VAL 56 Ca 0.40 -2.46 -0.14 0.00 0.82 0.00 0.00 66.70 65.31 1s6l h VAL 56 Cb 0.49 2.35 -0.01 0.00 -1.52 0.00 0.00 31.29 32.60 1s6l h VAL 56 CO -0.32 0.69 -0.30 0.25 0.02 0.00 0.00 177.57 177.92 1s6l h LEU 57 N 0.00 0.91 -0.55 2.57 5.85 0.25 -2.72 115.31 121.63 1s6l h LEU 57 Ca -0.01 -0.37 0.04 0.00 0.84 0.00 0.00 57.88 58.38 1s6l h LEU 57 Cb 1.30 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 42.03 1s6l h LEU 57 CO 0.09 1.14 0.31 -0.33 -0.34 0.00 0.00 178.44 179.30 1s6l h GLU 58 N 0.74 0.58 0.00 1.25 5.08 -0.82 0.28 114.58 121.69 1s6l h GLU 58 Ca 0.08 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1s6l h GLU 58 Cb 0.86 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.98 1s6l h GLU 58 CO 0.08 0.38 0.00 1.04 -1.00 0.00 0.00 179.01 179.51 1s6l n GLN 59 N -4.82 0.13 -3.32 2.33 3.00 -1.18 -3.86 117.38 109.66 1s6l n GLN 59 Ca 0.05 0.12 -0.33 0.00 -0.01 0.00 0.00 57.00 56.83 1s6l n GLN 59 Cb 0.12 -1.50 -0.05 0.00 0.00 0.00 0.00 30.24 28.81 1s6l n GLN 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1s6l n ALA 60 N -1.41 4.40 1.13 -1.58 0.00 0.09 -4.82 120.51 118.31 1s6l n ALA 60 Ca 0.07 -4.77 0.12 0.00 0.00 0.00 0.00 53.44 48.86 1s6l n ALA 60 Cb 0.21 -1.42 0.61 0.00 0.00 0.00 0.00 19.45 18.86 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 1.12 0.22 -1.60 0.00 -2.24 -1.25 -3.25 114.28 107.27 1s6l n THR 61 Ca 0.28 0.06 -0.26 0.00 -2.27 0.00 0.00 64.05 61.86 1s6l n THR 61 Cb 0.38 -0.64 0.08 0.00 -2.10 0.00 0.00 70.33 68.05 1s6l n THR 61 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1s6l n SER 62 N -1.32 5.63 -4.84 3.42 2.88 -1.26 -5.00 113.62 113.13 1s6l n SER 62 Ca 0.11 -3.77 -0.37 0.00 -1.33 0.00 0.00 58.87 53.51 1s6l n SER 62 Cb 0.21 -0.68 -0.06 0.00 -0.75 0.00 0.00 64.21 62.93 1s6l n SER 62 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1s6l s THR 63 N -4.42 5.00 -0.06 2.46 2.01 -1.20 -5.05 115.64 114.37 1s6l s THR 63 Ca 0.56 0.81 -0.30 0.00 0.31 0.00 0.00 61.69 63.08 1s6l s THR 63 Cb 0.46 -3.72 -0.02 0.00 0.01 0.00 0.00 72.50 69.22 1s6l s THR 63 CO 0.02 0.50 1.05 -0.70 -0.69 0.00 0.00 174.62 174.80 1s6l s GLU 64 N -1.28 4.44 0.16 4.92 2.56 -1.26 -5.04 118.70 123.19 1s6l s GLU 64 Ca 0.27 1.47 0.09 0.00 0.00 0.00 0.00 54.97 56.79 1s6l s GLU 64 Cb -0.16 -3.52 -0.04 0.00 2.00 0.00 0.00 34.13 32.41 1s6l s GLU 64 CO 0.15 -0.28 -0.20 0.71 -0.56 0.00 0.00 175.26 175.09 1s6l s TYR 65 N 1.78 1.88 -0.08 5.30 2.02 -1.26 -3.03 117.35 123.96 1s6l s TYR 65 Ca 0.51 -0.45 -0.19 0.00 -0.37 0.00 0.00 57.07 56.58 1s6l s TYR 65 Cb -0.21 -0.95 0.04 0.00 -0.40 0.00 0.00 41.96 40.44 1s6l s TYR 65 CO 0.21 0.33 0.45 0.34 -1.57 0.00 0.00 175.55 175.31 1s6l s ASP 66 N -2.51 -0.41 0.87 2.29 2.15 -1.07 -4.83 116.67 113.16 1s6l s ASP 66 Ca 0.14 0.55 0.00 0.00 0.43 0.00 0.00 52.55 53.68 1s6l s ASP 66 Cb -0.07 0.61 0.00 0.00 -0.30 0.00 0.00 42.92 43.16 1s6l s ASP 66 CO 0.06 -0.37 0.00 1.17 -0.17 0.00 0.00 175.17 175.86 1s6l n LYS 67 N 1.80 0.00 0.05 4.34 4.81 -1.26 -1.84 118.16 126.05 1s6l n LYS 67 Ca -0.18 0.00 0.12 0.00 -0.87 0.00 0.00 58.31 57.38 1s6l n LYS 67 Cb 0.56 0.00 0.14 0.00 0.02 0.00 0.00 35.03 35.76 1s6l n LYS 67 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 1s6l n ASP 68 N 8.32 0.66 0.00 3.14 5.75 -1.26 -4.92 116.55 128.24 1s6l n ASP 68 Ca 0.00 0.01 0.00 0.00 -0.01 0.00 0.00 54.79 54.79 1s6l n ASP 68 Cb 0.00 0.33 0.00 0.00 -1.03 0.00 0.00 41.12 40.42 1s6l n ASP 68 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1s6l n GLY 69 N 1.36 1.99 3.95 6.12 0.00 -0.77 -5.14 105.19 112.70 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 0.54 0.00 0.00 0.00 173.32 173.86 1s6l s ASN 70 N -1.99 4.58 -0.58 1.61 2.20 -1.12 -4.71 114.94 114.92 1s6l s ASN 70 Ca 0.00 0.18 -0.28 0.00 -0.94 0.00 0.00 52.86 51.82 1s6l s ASN 70 Cb 0.00 -0.73 0.03 0.00 -2.00 0.00 0.00 41.25 38.54 1s6l s ASN 70 CO 0.00 -1.72 1.22 -0.63 -2.94 0.00 0.00 177.10 173.03 1s6l s ILE 71 N -3.23 3.98 -0.03 0.54 1.01 -1.21 -2.60 121.20 119.67 1s6l s ILE 71 Ca 0.63 0.86 0.18 0.00 0.00 0.00 0.00 60.65 62.32 1s6l s ILE 71 Cb -0.09 -4.70 -0.28 0.00 0.01 0.00 0.00 42.46 37.41 1s6l s ILE 71 CO 0.45 -1.34 0.39 0.00 0.00 0.00 0.00 174.94 174.43 1s6l n ILE 72 N 6.69 0.00 -1.51 2.92 3.06 -1.17 -4.37 119.36 124.98 1s6l n ILE 72 Ca 0.09 -0.41 -0.31 0.00 -2.50 0.00 0.00 62.75 59.62 1s6l n ILE 72 Cb 0.49 0.10 -0.15 0.00 0.54 0.00 0.00 39.64 40.61 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 1.49 -0.38 0.00 4.50 0.00 -1.26 -4.79 105.19 104.76 1s6l n GLY 73 Ca -0.03 0.62 0.00 0.00 0.00 0.00 0.00 46.02 46.60 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 10.27 0.00 -0.74 1.61 4.02 -1.26 -5.03 117.16 126.03 1s6l n TYR 74 Ca 0.61 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.50 1s6l n TYR 74 Cb 0.17 -0.03 0.00 0.00 -0.02 0.00 0.00 39.34 39.46 1s6l n TYR 74 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1s6l n GLY 75 N 2.46 1.79 0.14 2.72 0.00 -1.26 -4.98 105.19 106.05 1s6l n GLY 75 Ca 0.00 -1.83 -0.22 0.00 0.00 0.00 0.00 46.02 43.97 1s6l n GLY 75 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1s6l h LEU 76 N 0.00 0.49 -7.97 0.99 7.12 -1.95 -3.49 115.31 110.50 1s6l h LEU 76 Ca 0.00 -0.91 -0.10 0.00 0.13 0.00 0.00 57.88 57.00 1s6l h LEU 76 Cb 0.00 -0.16 -0.15 0.00 -0.53 0.00 0.00 40.66 39.82 1s6l h LEU 76 CO 0.00 1.76 -0.50 0.28 -0.13 0.00 0.00 178.44 179.85 1s6l s THR 77 N -2.54 0.17 -0.52 1.05 -1.32 -1.26 -5.01 115.64 106.21 1s6l s THR 77 Ca -0.19 -1.40 -0.06 0.00 -1.21 0.00 0.00 61.69 58.83 1s6l s THR 77 Cb 0.05 -1.35 -0.13 0.00 -1.51 0.00 0.00 72.50 69.56 1s6l s THR 77 CO 0.80 -0.77 3.22 0.18 -2.21 0.00 0.00 174.62 175.84 1s6l n LEU 78 N 0.10 6.42 -2.23 9.08 4.32 -1.26 -4.55 117.00 128.87 1s6l n LEU 78 Ca -0.15 -3.74 0.00 0.00 -0.02 0.00 0.00 56.01 52.10 1s6l n LEU 78 Cb 0.61 -1.40 0.00 0.00 -1.62 0.00 0.00 43.42 41.01 1s6l n LEU 78 CO 0.24 1.81 -0.45 -1.14 -1.22 0.00 0.00 177.39 176.64 1s6l n ARG 79 N 2.30 -4.93 0.00 3.23 0.00 -1.26 -5.01 116.66 110.99 1s6l n ARG 79 Ca 0.53 3.53 0.00 0.00 -0.00 0.00 0.00 57.85 61.90 1s6l n ARG 79 Cb 0.65 -4.22 0.00 0.00 0.00 0.00 0.00 32.46 28.89 1s6l n ARG 79 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.63 175.72 1s6l n GLU 80 N 1.90 0.00 -2.11 -0.14 2.13 -1.26 -5.16 120.64 116.01 1s6l n GLU 80 Ca 0.00 0.00 -0.21 0.00 0.66 0.00 0.00 57.16 57.61 1s6l n GLU 80 Cb 0.00 0.00 0.12 0.00 0.27 0.00 0.00 31.44 31.83 1s6l n GLU 80 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 1s6l n THR 81 N -0.05 0.00 -0.05 6.31 -2.24 -1.26 -5.04 114.28 111.95 1s6l n THR 81 Ca 0.00 -1.21 -0.03 0.00 -2.27 0.00 0.00 64.05 60.54 1s6l n THR 81 Cb 0.00 -1.12 -0.15 0.00 -2.10 0.00 0.00 70.33 66.96 1s6l n THR 81 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1s6l n SER 82 N -3.12 0.20 -4.60 3.42 7.64 -1.26 -4.86 113.62 111.03 1s6l n SER 82 Ca 0.14 0.09 -0.43 0.00 1.01 0.00 0.00 58.87 59.68 1s6l n SER 82 Cb 0.50 1.03 -0.02 0.00 -1.01 0.00 0.00 64.21 64.70 1s6l n SER 82 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1s6l s TYR 83 N -2.81 2.56 -0.09 1.43 1.51 -1.26 -4.63 117.35 114.07 1s6l s TYR 83 Ca -0.08 0.72 -0.01 0.00 -1.01 0.00 0.00 57.07 56.69 1s6l s TYR 83 Cb 0.08 -4.29 -0.03 0.00 -0.11 0.00 0.00 41.96 37.62 1s6l s TYR 83 CO 0.85 -1.73 -0.03 0.08 -1.11 0.00 0.00 175.55 173.61 1s6l s VAL 84 N 5.01 4.08 -0.21 0.71 1.01 -0.35 -0.71 120.40 129.94 1s6l s VAL 84 Ca 0.57 -0.33 -0.03 0.00 0.00 0.00 0.00 61.98 62.18 1s6l s VAL 84 Cb -0.12 -2.70 0.07 0.00 0.00 0.00 0.00 36.38 33.62 1s6l s VAL 84 CO 0.31 0.59 0.07 0.12 0.00 0.00 0.00 175.10 176.19 1s6l s PHE 85 N -0.75 0.78 -0.12 5.22 2.19 0.44 -0.15 117.98 125.59 1s6l s PHE 85 Ca 0.12 -0.78 -0.05 0.00 0.33 0.00 0.00 56.93 56.54 1s6l s PHE 85 Cb -0.11 -0.98 -0.04 0.00 -1.31 0.00 0.00 43.02 40.58 1s6l s PHE 85 CO 0.02 -0.63 0.06 -1.21 1.83 0.00 0.00 175.22 175.30 1s6l s GLU 86 N 1.94 3.42 -0.03 10.12 2.02 0.35 0.13 118.70 136.65 1s6l s GLU 86 Ca 0.02 -0.30 -0.01 0.00 0.02 0.00 0.00 54.97 54.70 1s6l s GLU 86 Cb -0.17 -3.04 0.03 0.00 0.10 0.00 0.00 34.13 31.05 1s6l s GLU 86 CO -0.13 0.61 0.05 0.96 0.02 0.00 0.00 175.26 176.77 1s6l s ILE 87 N -0.58 -0.09 0.00 -1.63 -4.36 -0.66 0.12 121.20 114.00 1s6l s ILE 87 Ca 0.11 0.36 0.00 0.00 -0.26 0.00 0.00 60.65 60.86 1s6l s ILE 87 Cb -0.12 -0.13 0.00 0.00 1.25 0.00 0.00 42.46 43.46 1s6l s ILE 87 CO 0.02 0.15 0.00 -0.67 0.24 0.00 0.00 174.94 174.68 1s6l n ASP 88 N 4.93 0.00 -1.53 4.36 -0.08 -1.26 -1.25 116.55 121.73 1s6l n ASP 88 Ca -0.11 0.00 -0.03 0.00 -1.51 0.00 0.00 54.79 53.14 1s6l n ASP 88 Cb 0.50 0.00 0.02 0.00 2.34 0.00 0.00 41.12 43.98 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 0.73 -0.75 -3.77 1.67 2.03 -1.26 -5.11 116.55 110.10 1s6l n ASP 89 Ca 0.00 -1.48 -0.26 0.00 0.52 0.00 0.00 54.79 53.57 1s6l n ASP 89 Cb 0.00 0.30 -0.17 0.00 -0.72 0.00 0.00 41.12 40.53 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 0.75 -1.12 -0.67 1.81 -0.38 -5.07 118.95 114.30 1s6l s ARG 90 Ca 0.03 -0.29 -0.21 0.00 -1.72 0.00 0.00 55.73 53.54 1s6l s ARG 90 Cb 0.14 -1.79 0.06 0.00 -0.45 0.00 0.00 34.95 32.91 1s6l s ARG 90 CO -0.04 -0.52 1.55 1.03 -0.68 0.00 0.00 175.30 176.64 1s6l s ARG 91 N 1.86 3.74 0.78 3.54 3.00 -1.26 -1.66 118.95 128.96 1s6l s ARG 91 Ca 0.01 -1.47 -0.11 0.00 0.00 0.00 0.00 55.73 54.16 1s6l s ARG 91 Cb -0.15 -5.42 0.06 0.00 0.00 0.00 0.00 34.95 29.44 1s6l s ARG 91 CO -0.07 -2.22 1.10 -1.17 0.00 0.00 0.00 175.30 172.94 1s6l s LEU 92 N 4.64 2.64 0.17 2.53 2.96 0.36 -4.87 118.68 127.11 1s6l s LEU 92 Ca 0.49 1.26 0.01 0.00 -0.22 0.00 0.00 54.13 55.66 1s6l s LEU 92 Cb 0.01 -3.90 -0.05 0.00 0.50 0.00 0.00 46.19 42.76 1s6l s LEU 92 CO -0.03 -1.87 0.03 -0.31 -1.32 0.00 0.00 176.35 172.85 1s6l s TYR 93 N -3.20 1.16 0.24 5.38 2.02 -1.26 -0.42 117.35 121.27 1s6l s TYR 93 Ca 0.60 -1.10 -0.12 0.00 -0.37 0.00 0.00 57.07 56.08 1s6l s TYR 93 Cb -0.14 -0.66 -0.01 0.00 -0.40 0.00 0.00 41.96 40.75 1s6l s TYR 93 CO 0.54 -0.31 0.45 0.00 -1.57 0.00 0.00 175.55 174.65 1s6l s ALA 94 N -3.78 -0.11 -0.14 3.71 0.00 0.11 -3.93 121.76 117.62 1s6l s ALA 94 Ca 0.26 -0.95 0.19 0.00 0.00 0.00 0.00 51.96 51.46 1s6l s ALA 94 Cb 0.07 1.10 -0.15 0.00 0.00 0.00 0.00 23.12 24.14 1s6l s ALA 94 CO 0.05 -0.83 0.75 0.91 0.00 0.00 0.00 175.76 176.63 1s6l n TRP 95 N -0.37 0.70 -4.01 0.00 7.02 -1.26 -3.98 117.44 115.54 1s6l n TRP 95 Ca -0.01 0.22 -0.10 0.00 -1.02 0.00 0.00 57.50 56.59 1s6l n TRP 95 Cb 0.62 -0.94 -0.07 0.00 -2.42 0.00 0.00 31.31 28.51 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 2.49 1.73 0.00 0.00 0.00 0.34 -2.14 119.26 121.68 1s6l h ALA 97 Ca -0.31 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.47 1s6l h ALA 97 Cb 1.24 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.02 1s6l h ALA 97 CO 0.46 -0.55 -0.73 1.25 0.00 0.00 0.00 179.25 179.69 1s6l h LEU 98 N 0.00 0.00 -1.68 0.00 5.85 -1.88 -3.36 115.31 114.24 1s6l h LEU 98 Ca 0.09 -0.58 0.20 0.00 0.84 0.00 0.00 57.88 58.44 1s6l h LEU 98 Cb 0.98 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.98 1s6l h LEU 98 CO -0.00 1.21 0.75 0.44 -0.34 0.00 0.00 178.44 180.50 1s6l h ASP 99 N -1.00 0.00 -0.90 1.25 3.32 -1.69 0.23 116.42 117.62 1s6l h ASP 99 Ca -0.19 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.87 1s6l h ASP 99 Cb 1.06 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.56 1s6l h ASP 99 CO -0.11 0.00 0.58 0.71 -1.72 0.00 0.00 179.24 178.70 1s6l h THR 100 N 0.00 1.24 -1.81 0.35 1.35 -1.67 -3.44 112.91 108.92 1s6l h THR 100 Ca 0.33 -0.46 -0.44 0.00 -0.55 0.00 0.00 66.41 65.30 1s6l h THR 100 Cb 1.83 -0.08 0.01 0.00 -1.73 0.00 0.00 68.15 68.18 1s6l h THR 100 CO -0.00 0.24 -0.29 -1.48 -0.25 0.00 0.00 175.52 173.73 1s6l s LEU 101 N -9.99 3.84 0.00 3.87 2.34 0.80 -4.78 118.68 114.76 1s6l s LEU 101 Ca -0.12 -0.20 0.00 0.00 0.06 0.00 0.00 54.13 53.87 1s6l s LEU 101 Cb 0.18 -2.77 0.00 0.00 -0.56 0.00 0.00 46.19 43.04 1s6l s LEU 101 CO 0.81 -0.57 0.00 2.30 -1.06 0.00 0.00 176.35 177.83 1s6l n ILE 102 N -1.76 0.00 -2.73 1.48 -5.35 -1.26 -4.98 119.36 104.77 1s6l n ILE 102 Ca 0.02 0.00 -0.08 0.00 -0.27 0.00 0.00 62.75 62.43 1s6l n ILE 102 Cb 0.58 -0.02 0.08 0.00 -1.74 0.00 0.00 39.64 38.54 1s6l n ILE 102 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 1s6l n PHE 103 N -1.82 -2.69 -0.25 4.28 3.72 -1.26 -5.02 117.46 114.42 1s6l n PHE 103 Ca 0.00 -1.77 -0.05 0.00 -0.05 0.00 0.00 57.45 55.58 1s6l n PHE 103 Cb 0.00 1.54 0.05 0.00 -0.94 0.00 0.00 39.48 40.13 1s6l n PHE 103 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 1s6l h PRO 104 N 3.32 0.92 0.00 -1.08 0.11 -1.92 0.54 132.00 133.89 1s6l h PRO 104 Ca -0.15 -0.06 -0.08 0.00 0.11 0.00 0.00 66.00 65.83 1s6l h PRO 104 Cb 1.09 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 31.99 1s6l h PRO 104 CO 0.17 0.62 -0.36 0.00 -0.21 0.00 0.00 178.00 178.22 1s6l h ALA 105 N 1.25 0.78 0.18 -0.75 0.00 -1.81 -3.28 119.26 115.63 1s6l h ALA 105 Ca 0.25 -0.33 -0.34 0.00 0.00 0.00 0.00 54.91 54.50 1s6l h ALA 105 Cb -0.09 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 17.65 1s6l h ALA 105 CO -0.05 0.45 -1.64 1.25 0.00 0.00 0.00 179.25 179.26 1s6l h LEU 106 N 0.00 0.60 -0.51 0.00 7.12 -1.82 -3.35 115.31 117.34 1s6l h LEU 106 Ca -0.00 -0.82 0.05 0.00 0.13 0.00 0.00 57.88 57.23 1s6l h LEU 106 Cb 1.24 -0.19 -0.04 0.00 -0.53 0.00 0.00 40.66 41.13 1s6l h LEU 106 CO 0.05 1.68 0.26 -0.29 -0.13 0.00 0.00 178.44 180.01 1s6l h ILE 107 N 0.10 0.95 0.00 4.05 6.09 -0.02 -3.47 117.51 125.23 1s6l h ILE 107 Ca -0.30 -0.17 0.00 0.00 -1.37 0.00 0.00 64.86 63.02 1s6l h ILE 107 Cb 2.09 0.40 0.00 0.00 0.47 0.00 0.00 36.82 39.78 1s6l h ILE 107 CO 0.19 0.09 0.00 0.61 -3.07 0.00 0.00 178.15 175.97 1s6l n GLY 108 N -1.25 1.45 3.62 8.18 0.00 -1.24 -5.09 105.19 110.85 1s6l n GLY 108 Ca 0.05 -0.07 -0.11 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.71 1.80 0.56 1.61 1.81 -1.26 -5.07 118.95 117.69 1s6l s ARG 109 Ca 0.00 -1.42 -0.12 0.00 -1.72 0.00 0.00 55.73 52.47 1s6l s ARG 109 Cb 0.00 0.50 -0.05 0.00 -0.45 0.00 0.00 34.95 34.95 1s6l s ARG 109 CO 0.00 -0.77 0.98 0.99 -0.68 0.00 0.00 175.30 175.82 1s6l s THR 110 N -3.41 4.68 -0.19 0.02 2.01 -1.26 -4.33 115.64 113.17 1s6l s THR 110 Ca 0.23 0.89 -0.04 0.00 0.31 0.00 0.00 61.69 63.08 1s6l s THR 110 Cb -0.02 -3.82 0.06 0.00 0.01 0.00 0.00 72.50 68.73 1s6l s THR 110 CO 0.13 -0.95 0.06 0.00 -0.69 0.00 0.00 174.62 173.16 1s6l s ALA 111 N -2.93 0.78 -0.24 7.40 0.00 0.34 -4.04 121.76 123.06 1s6l s ALA 111 Ca 0.55 -0.56 -0.28 0.00 0.00 0.00 0.00 51.96 51.67 1s6l s ALA 111 Cb -0.11 -1.13 0.01 0.00 0.00 0.00 0.00 23.12 21.89 1s6l s ALA 111 CO 0.45 -1.19 0.97 1.03 0.00 0.00 0.00 175.76 177.03 1s6l s ARG 112 N 1.97 4.22 -0.14 0.00 0.52 0.32 0.16 118.95 126.00 1s6l s ARG 112 Ca 0.01 1.21 -0.02 0.00 -0.52 0.00 0.00 55.73 56.41 1s6l s ARG 112 Cb -0.17 -3.65 -0.02 0.00 0.52 0.00 0.00 34.95 31.64 1s6l s ARG 112 CO -0.09 -0.61 -0.09 0.08 0.02 0.00 0.00 175.30 174.60 1s6l s VAL 113 N 3.11 3.37 -0.03 3.52 1.01 0.29 0.13 120.40 131.79 1s6l s VAL 113 Ca 0.41 -0.55 0.05 0.00 0.00 0.00 0.00 61.98 61.90 1s6l s VAL 113 Cb -0.15 -2.44 -0.01 0.00 0.00 0.00 0.00 36.38 33.78 1s6l s VAL 113 CO 0.07 0.51 -0.20 -0.44 0.00 0.00 0.00 175.10 175.04 1s6l s SER 114 N 0.36 2.42 0.25 3.32 0.01 0.78 0.13 113.70 120.97 1s6l s SER 114 Ca -0.08 -0.39 0.00 0.00 1.31 0.00 0.00 55.95 56.79 1s6l s SER 114 Cb -0.15 -0.50 -0.03 0.00 0.21 0.00 0.00 66.02 65.55 1s6l s SER 114 CO 0.05 0.21 0.22 -0.44 0.41 0.00 0.00 173.24 173.69 1s6l s SER 115 N -0.22 0.59 -0.03 2.44 0.01 0.51 -1.21 113.70 115.79 1s6l s SER 115 Ca 0.01 -1.46 0.02 0.00 1.31 0.00 0.00 55.95 55.83 1s6l s SER 115 Cb -0.10 0.47 0.01 0.00 0.21 0.00 0.00 66.02 66.60 1s6l s SER 115 CO 0.01 -0.96 -0.06 -1.00 0.41 0.00 0.00 173.24 171.64 1s6l s HIS 116 N -3.88 0.75 0.24 2.43 3.76 -1.26 0.11 115.29 117.45 1s6l s HIS 116 Ca 0.37 -0.19 -0.31 0.00 -0.15 0.00 0.00 55.06 54.79 1s6l s HIS 116 Cb 0.05 -0.60 -0.11 0.00 1.11 0.00 0.00 32.58 33.03 1s6l s HIS 116 CO 0.17 -0.13 1.57 0.00 -0.85 0.00 0.00 174.74 175.49 1s6l n ALA 118 N 2.83 2.05 0.01 0.00 0.00 -1.26 -0.64 120.51 123.50 1s6l n ALA 118 Ca 0.10 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1s6l n ALA 118 Cb 0.38 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.53 1s6l n ALA 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1s6l n ALA 119 N -1.19 3.00 0.06 0.00 0.00 -1.26 -4.81 120.51 116.31 1s6l n ALA 119 Ca 0.11 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.58 1s6l n ALA 119 Cb 0.12 0.41 -0.05 0.00 0.00 0.00 0.00 19.45 19.93 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 0.37 0.00 0.00 2.02 -1.95 -3.48 112.91 109.88 1s6l h THR 120 Ca 0.00 -1.72 0.00 0.00 0.77 0.00 0.00 66.41 65.46 1s6l h THR 120 Cb 0.78 1.91 0.00 0.00 -1.74 0.00 0.00 68.15 69.10 1s6l h THR 120 CO 0.00 0.21 0.00 0.61 0.37 0.00 0.00 175.52 176.71 1s6l n GLY 121 N 1.33 0.55 3.69 2.16 0.00 0.19 -4.92 105.19 108.18 1s6l n GLY 121 Ca -0.06 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.58 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 0.83 -2.62 4.61 0.00 -1.26 -4.31 120.51 118.76 1s6l n ALA 122 Ca 0.00 0.02 -0.42 0.00 0.00 0.00 0.00 53.44 53.04 1s6l n ALA 122 Cb 0.07 -2.25 -0.03 0.00 0.00 0.00 0.00 19.45 17.24 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 -3.08 3.35 -0.02 0.00 0.05 -1.26 -1.39 135.00 132.65 1s6l s PRO 123 Ca 0.79 -0.11 -0.05 0.00 0.05 0.00 0.00 61.00 61.69 1s6l s PRO 123 Cb -0.40 -4.09 -0.04 0.00 0.05 0.00 0.00 34.50 30.02 1s6l s PRO 123 CO 0.44 -1.77 0.21 0.14 0.05 0.00 0.00 177.00 176.06 1s6l s VAL 124 N 4.83 5.40 -0.14 -0.36 -7.23 0.30 -4.58 120.40 118.63 1s6l s VAL 124 Ca 0.36 0.01 -0.15 0.00 -1.81 0.00 0.00 61.98 60.38 1s6l s VAL 124 Cb -0.10 -3.53 0.04 0.00 0.56 0.00 0.00 36.38 33.35 1s6l s VAL 124 CO 0.20 0.38 0.42 -0.94 -0.31 0.00 0.00 175.10 174.85 1s6l s SER 125 N -1.73 -0.42 0.03 4.85 1.04 0.80 0.19 113.70 118.47 1s6l s SER 125 Ca 0.26 0.75 0.01 0.00 0.48 0.00 0.00 55.95 57.44 1s6l s SER 125 Cb -0.13 0.78 -0.02 0.00 0.10 0.00 0.00 66.02 66.75 1s6l s SER 125 CO 0.16 -0.21 -0.04 -0.76 0.98 0.00 0.00 173.24 173.37 1s6l s LEU 126 N -0.04 2.28 -0.31 2.42 1.02 0.34 -1.37 118.68 123.03 1s6l s LEU 126 Ca -0.02 -0.58 -0.08 0.00 0.02 0.00 0.00 54.13 53.46 1s6l s LEU 126 Cb -0.03 0.04 0.00 0.00 0.02 0.00 0.00 46.19 46.21 1s6l s LEU 126 CO 0.01 -0.31 0.12 -0.89 0.02 0.00 0.00 176.35 175.31 1s6l s THR 127 N -1.77 4.34 -0.40 5.49 2.01 -0.67 0.10 115.64 124.75 1s6l s THR 127 Ca -0.11 -0.54 -0.17 0.00 0.31 0.00 0.00 61.69 61.18 1s6l s THR 127 Cb -0.08 -3.23 0.01 0.00 0.01 0.00 0.00 72.50 69.22 1s6l s THR 127 CO -0.02 0.07 0.44 -0.69 -0.69 0.00 0.00 174.62 173.73 1s6l s VAL 128 N 1.57 5.08 0.41 3.82 1.01 0.41 -2.29 120.40 130.40 1s6l s VAL 128 Ca 0.04 -0.15 0.08 0.00 0.00 0.00 0.00 61.98 61.94 1s6l s VAL 128 Cb -0.17 -4.00 -0.02 0.00 0.00 0.00 0.00 36.38 32.19 1s6l s VAL 128 CO 0.05 -0.34 0.36 -0.94 0.00 0.00 0.00 175.10 174.22 1s6l s SER 129 N 1.80 5.03 0.55 3.32 1.04 0.17 0.13 113.70 125.74 1s6l s SER 129 Ca 0.14 -0.74 0.36 0.00 0.48 0.00 0.00 55.95 56.18 1s6l s SER 129 Cb -0.17 -0.60 1.69 0.00 0.10 0.00 0.00 66.02 67.04 1s6l s SER 129 CO 0.14 -0.62 2.08 1.55 0.98 0.00 0.00 173.24 177.37 1s6l h PRO 130 N 1.07 0.00 0.00 4.02 0.13 -1.75 -3.18 132.00 132.29 1s6l h PRO 130 Ca -0.42 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.62 1s6l h PRO 130 Cb 1.26 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.38 1s6l h PRO 130 CO 0.58 0.00 -1.47 -1.13 -0.23 0.00 0.00 178.00 175.75 1s6l n SER 131 N -2.97 3.16 0.00 1.44 3.41 -1.26 -4.60 113.62 112.80 1s6l n SER 131 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.60 1s6l n SER 131 Cb 0.21 0.89 0.00 0.00 -0.26 0.00 0.00 64.21 65.05 1s6l n SER 131 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 1s6l n GLU 132 N -2.12 -0.26 -3.35 4.33 0.28 -1.20 -5.16 120.64 113.15 1s6l n GLU 132 Ca -0.09 0.00 -0.25 0.00 -0.16 0.00 0.00 57.16 56.66 1s6l n GLU 132 Cb 0.58 0.00 -0.02 0.00 1.43 0.00 0.00 31.44 33.43 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 5.08 0.00 3.84 -4.36 -1.25 0.41 121.20 121.92 1s6l s ILE 133 Ca 0.00 -0.31 0.00 0.00 -0.26 0.00 0.00 60.65 60.08 1s6l s ILE 133 Cb 0.00 -3.83 0.00 0.00 1.25 0.00 0.00 42.46 39.88 1s6l s ILE 133 CO 0.00 -0.50 0.86 1.67 0.24 0.00 0.00 174.94 177.21 1s6l n GLN 134 N -1.55 0.00 -2.82 0.37 7.27 -0.97 -4.90 117.38 114.78 1s6l n GLN 134 Ca -0.04 -0.75 -0.00 0.00 0.07 0.00 0.00 57.00 56.28 1s6l n GLN 134 Cb 0.55 -0.38 0.01 0.00 2.41 0.00 0.00 30.24 32.83 1s6l n GLN 134 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1s6l s ALA 135 N 0.00 -3.91 -0.34 1.69 0.00 -1.26 -4.88 121.76 113.06 1s6l s ALA 135 Ca 0.00 0.80 -0.11 0.00 0.00 0.00 0.00 51.96 52.65 1s6l s ALA 135 Cb 0.00 -2.94 0.00 0.00 0.00 0.00 0.00 23.12 20.19 1s6l s ALA 135 CO 0.00 -2.44 0.19 0.08 0.00 0.00 0.00 175.76 173.60 1s6l s VAL 136 N 1.62 4.77 -0.12 0.00 1.01 -1.26 -1.67 120.40 124.75 1s6l s VAL 136 Ca 0.18 -0.52 -0.05 0.00 0.00 0.00 0.00 61.98 61.59 1s6l s VAL 136 Cb 0.04 -3.52 0.06 0.00 0.00 0.00 0.00 36.38 32.96 1s6l s VAL 136 CO -0.12 -0.06 0.25 -0.70 0.00 0.00 0.00 175.10 174.47 1s6l s GLU 137 N 1.62 0.15 0.67 2.72 -6.30 -0.47 -3.51 118.70 113.58 1s6l s GLU 137 Ca 0.04 0.68 -0.14 0.00 -2.50 0.00 0.00 54.97 53.04 1s6l s GLU 137 Cb -0.18 -0.08 0.00 0.00 0.00 0.00 0.00 34.13 33.88 1s6l s GLU 137 CO 0.07 -0.25 1.10 -2.14 0.02 0.00 0.00 175.26 174.06 1s6l s PRO 138 N 2.10 2.79 -1.16 4.30 0.02 -1.26 -0.14 135.00 141.65 1s6l s PRO 138 Ca -0.02 1.32 -0.23 0.00 0.02 0.00 0.00 61.00 62.10 1s6l s PRO 138 Cb -0.12 -1.95 -0.10 0.00 0.02 0.00 0.00 34.50 32.35 1s6l s PRO 138 CO -0.08 -1.25 1.94 0.00 -0.33 0.00 0.00 177.00 177.28 1s6l n ALA 139 N -2.55 1.83 0.00 -1.55 0.00 -1.23 -2.17 120.51 114.84 1s6l n ALA 139 Ca 0.10 -3.00 0.00 0.00 0.00 0.00 0.00 53.44 50.53 1s6l n ALA 139 Cb 0.52 -3.48 0.00 0.00 0.00 0.00 0.00 19.45 16.49 1s6l n ALA 139 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1s6l n GLY 140 N 5.73 -0.18 3.63 0.00 0.00 -1.26 -5.15 105.19 107.96 1s6l n GLY 140 Ca 0.45 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.15 1s6l n GLY 140 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1s6l n MET 141 N 0.00 -0.21 -4.24 1.61 3.85 -0.92 -3.85 117.12 113.36 1s6l n MET 141 Ca 0.00 0.01 -0.20 0.00 -1.00 0.00 0.00 57.70 56.51 1s6l n MET 141 Cb 0.00 -2.31 -0.12 0.00 -1.05 0.00 0.00 33.22 29.75 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 -2.42 1.51 0.06 3.17 0.00 0.33 -3.74 121.76 120.67 1s6l s ALA 142 Ca 0.68 -1.21 0.05 0.00 0.00 0.00 0.00 51.96 51.48 1s6l s ALA 142 Cb -0.25 -0.13 -0.04 0.00 0.00 0.00 0.00 23.12 22.70 1s6l s ALA 142 CO 0.57 0.19 -0.08 0.08 0.00 0.00 0.00 175.76 176.52 1s6l s VAL 143 N -1.67 3.54 0.05 0.00 1.01 0.50 0.26 120.40 124.10 1s6l s VAL 143 Ca 0.06 -1.05 0.09 0.00 0.00 0.00 0.00 61.98 61.08 1s6l s VAL 143 Cb -0.08 -2.61 -0.03 0.00 0.00 0.00 0.00 36.38 33.66 1s6l s VAL 143 CO 0.03 0.22 -0.26 -0.44 0.00 0.00 0.00 175.10 174.66 1s6l s SER 144 N -1.91 3.07 0.29 3.32 0.01 0.21 0.52 113.70 119.20 1s6l s SER 144 Ca 0.20 -0.59 0.04 0.00 1.31 0.00 0.00 55.95 56.90 1s6l s SER 144 Cb -0.11 -0.27 -0.04 0.00 0.21 0.00 0.00 66.02 65.81 1s6l s SER 144 CO 0.12 0.24 0.19 -1.48 0.41 0.00 0.00 173.24 172.72 1s6l s LEU 145 N -1.30 1.58 -0.14 2.44 0.05 0.10 -2.70 118.68 118.70 1s6l s LEU 145 Ca 0.11 -1.59 0.00 0.00 0.05 0.00 0.00 54.13 52.71 1s6l s LEU 145 Cb -0.10 0.35 0.02 0.00 -2.05 0.00 0.00 46.19 44.41 1s6l s LEU 145 CO 0.02 -0.93 -0.14 0.68 -0.55 0.00 0.00 176.35 175.43 1s6l s VAL 146 N -3.68 1.51 -0.34 1.48 -7.23 -1.26 -1.95 120.40 108.93 1s6l s VAL 146 Ca 0.38 -0.60 -0.03 0.00 -1.81 0.00 0.00 61.98 59.92 1s6l s VAL 146 Cb 0.05 -1.43 0.00 0.00 0.56 0.00 0.00 36.38 35.56 1s6l s VAL 146 CO 0.19 0.45 0.13 0.18 -0.31 0.00 0.00 175.10 175.74 1s6l n LEU 147 N 4.78 -8.03 -3.31 1.32 4.77 -1.21 -4.32 117.00 110.99 1s6l n LEU 147 Ca -0.17 1.25 -0.27 0.00 -0.03 0.00 0.00 56.01 56.79 1s6l n LEU 147 Cb 0.50 -3.37 -0.03 0.00 -2.33 0.00 0.00 43.42 38.18 1s6l n LEU 147 CO 0.21 -3.05 2.04 -0.81 -1.33 0.00 0.00 177.39 174.45 1s6l n PRO 148 N 0.49 1.49 -1.90 3.23 -0.04 -1.26 -4.76 135.00 132.25 1s6l n PRO 148 Ca 0.03 -1.42 -0.42 0.00 -0.04 0.00 0.00 63.50 61.65 1s6l n PRO 148 Cb 0.10 -2.54 -0.03 0.00 -0.04 0.00 0.00 33.50 31.00 1s6l n PRO 148 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 1s6l s GLN 149 N 4.35 4.20 -0.36 0.54 -0.21 -1.26 -4.91 119.66 122.01 1s6l s GLN 149 Ca 0.41 2.41 0.06 0.00 0.02 0.00 0.00 55.36 58.27 1s6l s GLN 149 Cb 0.10 -3.12 0.49 0.00 1.00 0.00 0.00 33.01 31.49 1s6l s GLN 149 CO 0.04 -0.59 1.50 -1.91 -2.12 0.00 0.00 175.29 172.21 1s6l n GLU 150 N 3.40 2.41 -1.36 2.91 2.13 -1.26 -4.32 120.64 124.55 1s6l n GLU 150 Ca 0.12 -3.45 -0.02 0.00 0.66 0.00 0.00 57.16 54.47 1s6l n GLU 150 Cb 0.38 -2.01 -0.02 0.00 0.27 0.00 0.00 31.44 30.06 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 -1.00 3.09 -0.33 4.31 0.00 -1.26 -5.01 120.51 120.31 1s6l n ALA 151 Ca 0.41 -1.48 0.00 0.00 0.00 0.00 0.00 53.44 52.37 1s6l n ALA 151 Cb 0.98 -0.55 0.00 0.00 0.00 0.00 0.00 19.45 19.89 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 0.11 0.00 -2.40 0.00 0.00 -1.26 -5.02 120.51 111.93 1s6l n ALA 152 Ca -0.12 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.13 1s6l n ALA 152 Cb 0.90 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.34 1s6l n ALA 152 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1s6l n ASP 153 N -1.59 -5.53 -3.38 0.00 -0.08 -1.26 -4.93 116.55 99.78 1s6l n ASP 153 Ca 0.00 0.03 -0.08 0.00 -1.51 0.00 0.00 54.79 53.22 1s6l n ASP 153 Cb 0.00 -4.62 -0.00 0.00 2.34 0.00 0.00 41.12 38.84 1s6l n ASP 153 CO 0.00 0.00 0.00 0.68 0.12 0.00 0.00 177.20 178.00 1s6l s VAL 154 N -2.96 0.00 -0.90 5.18 -7.23 -1.26 -4.87 120.40 108.36 1s6l s VAL 154 Ca 0.00 -1.05 -0.03 0.00 -1.81 0.00 0.00 61.98 59.09 1s6l s VAL 154 Cb 0.00 -2.47 -0.04 0.00 0.56 0.00 0.00 36.38 34.43 1s6l s VAL 154 CO 0.00 0.00 0.81 0.54 -0.31 0.00 0.00 175.10 176.14 1s6l n ARG 155 N -0.50 -1.79 -2.59 4.82 5.12 -1.26 -2.78 116.66 117.68 1s6l n ARG 155 Ca -0.06 1.17 -0.21 0.00 -1.93 0.00 0.00 57.85 56.83 1s6l n ARG 155 Cb 0.60 -5.79 0.00 0.00 -1.16 0.00 0.00 32.46 26.11 1s6l n ARG 155 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 1s6l n GLN 156 N -2.52 -2.61 0.00 5.56 6.02 -1.26 -4.93 117.38 117.64 1s6l n GLN 156 Ca -0.04 0.94 0.00 0.00 -0.01 0.00 0.00 57.00 57.89 1s6l n GLN 156 Cb 0.56 -5.65 0.00 0.00 1.02 0.00 0.00 30.24 26.17 1s6l n GLN 156 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1s6l n SER 157 N -2.14 0.00 0.00 1.08 2.88 -1.12 -4.70 113.62 109.63 1s6l n SER 157 Ca -0.20 0.43 0.00 0.00 -1.33 0.00 0.00 58.87 57.77 1s6l n SER 157 Cb 0.66 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.12 1s6l n SER 157 CO 0.00 0.00 0.00 2.22 -1.23 0.00 0.00 175.04 176.03 1s6l n PHE 158 N -0.43 0.00 0.54 0.66 1.16 -1.26 -4.77 117.46 113.36 1s6l n PHE 158 Ca 0.00 -0.14 0.13 0.00 -1.87 0.00 0.00 57.45 55.57 1s6l n PHE 158 Cb 0.00 -0.01 0.33 0.00 -1.61 0.00 0.00 39.48 38.19 1s6l n PHE 158 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1s6l n HIS 161 N -1.04 -1.79 -3.59 0.00 8.25 -1.21 -4.99 115.22 110.85 1s6l n HIS 161 Ca 0.22 -2.35 -0.41 0.00 -0.26 0.00 0.00 57.72 54.93 1s6l n HIS 161 Cb 0.13 1.09 -0.11 0.00 1.12 0.00 0.00 29.99 32.22 1s6l n HIS 161 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1s6l s VAL 162 N -0.56 4.60 0.26 1.59 1.01 -1.25 -4.34 120.40 121.72 1s6l s VAL 162 Ca 0.25 -0.89 0.12 0.00 0.00 0.00 0.00 61.98 61.46 1s6l s VAL 162 Cb 0.36 -3.59 -0.05 0.00 0.00 0.00 0.00 36.38 33.11 1s6l s VAL 162 CO -0.06 -0.26 -0.18 -1.00 0.00 0.00 0.00 175.10 173.60 1s6l s HIS 163 N 1.55 2.35 -0.14 5.22 3.76 -1.10 0.10 115.29 127.04 1s6l s HIS 163 Ca 0.02 -0.32 -0.02 0.00 -0.15 0.00 0.00 55.06 54.59 1s6l s HIS 163 Cb -0.19 -1.04 -0.02 0.00 1.11 0.00 0.00 32.58 32.43 1s6l s HIS 163 CO 0.07 0.67 -0.08 -0.06 -0.85 0.00 0.00 174.74 174.50 1s6l s PHE 164 N -2.36 2.93 -0.07 1.40 0.08 -1.26 0.68 117.98 119.38 1s6l s PHE 164 Ca 0.29 -0.41 -0.00 0.00 0.12 0.00 0.00 56.93 56.92 1s6l s PHE 164 Cb -0.06 -1.90 -0.03 0.00 -0.57 0.00 0.00 43.02 40.46 1s6l s PHE 164 CO 0.15 -0.08 -0.03 -0.06 -0.10 0.00 0.00 175.22 175.10 1s6l s PHE 165 N 0.28 3.06 0.58 0.36 0.40 0.73 -3.47 117.98 119.91 1s6l s PHE 165 Ca -0.06 0.11 0.35 0.00 -0.60 0.00 0.00 56.93 56.73 1s6l s PHE 165 Cb -0.15 -1.74 1.39 0.00 0.51 0.00 0.00 43.02 43.04 1s6l s PHE 165 CO 0.04 0.41 1.64 0.00 0.70 0.00 0.00 175.22 178.01 1s6l h ALA 166 N 5.07 3.00 -2.54 5.36 0.00 -1.89 0.94 119.26 129.21 1s6l h ALA 166 Ca -0.50 -0.04 0.14 0.00 0.00 0.00 0.00 54.91 54.51 1s6l h ALA 166 Cb 1.18 0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.99 1s6l h ALA 166 CO 0.54 -1.56 0.43 -1.12 0.00 0.00 0.00 179.25 177.54 1s6l s SER 167 N -4.44 -0.16 0.28 0.00 0.01 -1.26 -3.47 113.70 104.66 1s6l s SER 167 Ca -0.04 -0.53 0.05 0.00 1.31 0.00 0.00 55.95 56.75 1s6l s SER 167 Cb 0.19 0.57 0.41 0.00 0.21 0.00 0.00 66.02 67.40 1s6l s SER 167 CO 0.67 -1.06 1.68 0.58 0.41 0.00 0.00 173.24 175.52 1s6l h VAL 168 N 2.00 1.31 -0.13 3.43 2.07 -1.84 0.70 116.25 123.79 1s6l h VAL 168 Ca -0.24 -1.56 -0.20 0.00 0.82 0.00 0.00 66.70 65.52 1s6l h VAL 168 Cb 1.23 1.69 0.00 0.00 -1.52 0.00 0.00 31.29 32.70 1s6l h VAL 168 CO 0.27 0.47 -0.74 -0.65 0.02 0.00 0.00 177.57 176.94 1s6l h PRO 169 N 0.23 0.63 0.05 1.57 0.11 -1.95 0.85 132.00 133.49 1s6l h PRO 169 Ca 0.02 -0.50 -0.28 0.00 0.11 0.00 0.00 66.00 65.35 1s6l h PRO 169 Cb 0.85 0.10 0.02 0.00 0.11 0.00 0.00 31.00 32.08 1s6l h PRO 169 CO 0.07 1.12 -1.11 1.15 -0.21 0.00 0.00 178.00 179.02 1s6l h THR 170 N 0.44 1.28 -0.40 -1.15 2.02 -1.93 5.09 112.91 118.26 1s6l h THR 170 Ca -0.04 -2.33 -0.01 0.00 0.77 0.00 0.00 66.41 64.81 1s6l h THR 170 Cb 1.34 2.52 -0.02 0.00 -1.74 0.00 0.00 68.15 70.25 1s6l h THR 170 CO 0.14 0.71 0.21 0.00 0.37 0.00 0.00 175.52 176.96 1s6l h ALA 171 N 0.35 0.51 0.00 6.16 0.00 0.46 1.02 119.26 127.76 1s6l h ALA 171 Ca -0.15 -0.09 -0.15 0.00 0.00 0.00 0.00 54.91 54.52 1s6l h ALA 171 Cb 1.78 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 19.39 1s6l h ALA 171 CO 0.22 0.05 -0.70 0.93 0.00 0.00 0.00 179.25 179.75 1s6l h GLU 172 N 0.51 0.00 0.27 0.00 5.08 0.81 0.01 114.58 121.27 1s6l h GLU 172 Ca 0.14 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.49 1s6l h GLU 172 Cb 0.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.33 1s6l h GLU 172 CO -0.02 0.70 -0.13 0.22 -1.00 0.00 0.00 179.01 178.78 1s6l h ASP 173 N 0.00 -0.31 0.26 1.42 3.58 1.10 -0.13 116.42 122.35 1s6l h ASP 173 Ca -0.01 -0.22 -0.04 0.00 0.42 0.00 0.00 57.03 57.19 1s6l h ASP 173 Cb 1.49 0.08 -0.01 0.00 1.72 0.00 0.00 39.33 42.61 1s6l h ASP 173 CO 0.09 0.16 -0.20 -0.25 -2.88 0.00 0.00 179.24 176.16 1s6l h TRP 174 N -0.90 0.00 -0.64 0.28 -0.00 0.95 -1.83 115.95 113.81 1s6l h TRP 174 Ca -0.04 0.00 -0.05 0.00 -0.00 0.00 0.00 58.89 58.80 1s6l h TRP 174 Cb 0.51 0.00 -0.03 0.00 -0.00 0.00 0.00 29.16 29.64 1s6l h TRP 174 CO 0.05 0.20 0.21 0.00 -0.00 0.00 0.00 178.44 178.90 1s6l h ALA 175 N 1.80 0.84 -0.89 2.65 0.00 -0.85 -2.38 119.26 120.43 1s6l h ALA 175 Ca -0.00 -0.20 0.18 0.00 0.00 0.00 0.00 54.91 54.88 1s6l h ALA 175 Cb 0.38 -0.25 -0.11 0.00 0.00 0.00 0.00 17.79 17.82 1s6l h ALA 175 CO 0.03 0.50 0.45 0.77 0.00 0.00 0.00 179.25 181.00 1s6l h SER 176 N 0.92 0.50 -0.58 0.00 0.02 -0.12 0.60 113.55 114.89 1s6l h SER 176 Ca 0.21 0.11 -0.12 0.00 -0.84 0.00 0.00 61.79 61.16 1s6l h SER 176 Cb 0.28 0.05 -0.07 0.00 0.14 0.00 0.00 62.40 62.79 1s6l h SER 176 CO -0.01 0.15 0.15 1.17 -1.14 0.00 0.00 176.83 177.15 1s6l n LYS 177 N -4.92 3.66 -1.67 3.45 3.00 -0.99 -4.00 118.16 116.69 1s6l n LYS 177 Ca 0.20 -2.60 0.02 0.00 -0.00 0.00 0.00 58.31 55.93 1s6l n LYS 177 Cb 0.53 -2.10 0.02 0.00 0.00 0.00 0.00 35.03 33.48 1s6l n LYS 177 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 1s6l n HIS 178 N 0.14 0.14 0.28 5.64 8.25 0.20 -4.83 115.22 125.04 1s6l n HIS 178 Ca 0.31 -0.77 0.06 0.00 -0.26 0.00 0.00 57.72 57.05 1s6l n HIS 178 Cb 1.17 -0.05 -0.09 0.00 1.12 0.00 0.00 29.99 32.14 1s6l n HIS 178 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 1s6l n GLN 179 N 0.23 1.48 0.25 -0.41 6.02 -0.77 -4.47 117.38 119.71 1s6l n GLN 179 Ca 0.02 -0.07 0.18 0.00 -0.01 0.00 0.00 57.00 57.12 1s6l n GLN 179 Cb 1.04 -1.22 0.84 0.00 1.02 0.00 0.00 30.24 31.93 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 2.70 0.00 -0.58 1.08 0.00 -1.87 -3.41 103.07 100.99 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 -3.28 0.00 -2.86 3.11 4.77 -1.26 -4.83 117.00 112.65 1s6l n LEU 181 Ca 0.01 -0.53 -0.31 0.00 -0.03 0.00 0.00 56.01 55.15 1s6l n LEU 181 Cb 0.40 -0.61 -0.05 0.00 -2.33 0.00 0.00 43.42 40.83 1s6l n LEU 181 CO 0.20 -2.32 2.11 -0.62 -1.33 0.00 0.00 177.39 175.43 1s6l n GLU 182 N -4.23 3.26 0.00 3.23 1.02 -1.26 -4.84 120.64 117.82 1s6l n GLU 182 Ca 0.08 -2.49 0.00 0.00 -0.02 0.00 0.00 57.16 54.73 1s6l n GLU 182 Cb 0.36 -2.37 0.00 0.00 -0.02 0.00 0.00 31.44 29.41 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 1.78 2.84 3.65 0.62 0.00 -1.26 -4.61 105.19 108.21 1s6l n GLY 183 Ca 0.57 -1.55 -0.00 0.00 0.00 0.00 0.00 46.02 45.04 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 -0.12 0.01 0.99 0.20 -1.26 -3.35 118.68 115.15 1s6l s LEU 184 Ca 0.00 0.21 -0.04 0.00 0.69 0.00 0.00 54.13 54.99 1s6l s LEU 184 Cb 0.00 1.20 -0.01 0.00 -0.43 0.00 0.00 46.19 46.95 1s6l s LEU 184 CO 0.00 -0.03 0.06 0.00 -0.29 0.00 0.00 176.35 176.08 1s6l s ALA 185 N 0.72 -0.10 0.28 5.97 0.00 -0.83 -4.81 121.76 122.98 1s6l s ALA 185 Ca -0.03 -0.37 0.06 0.00 0.00 0.00 0.00 51.96 51.63 1s6l s ALA 185 Cb -0.03 0.13 -0.03 0.00 0.00 0.00 0.00 23.12 23.19 1s6l s ALA 185 CO -0.12 -0.19 0.31 0.42 0.00 0.00 0.00 175.76 176.18 1s6l s ILE 186 N -1.45 4.48 0.18 0.00 -1.09 -1.26 -0.73 121.20 121.34 1s6l s ILE 186 Ca -0.15 -1.20 -0.21 0.00 -2.23 0.00 0.00 60.65 56.85 1s6l s ILE 186 Cb -0.09 -3.51 0.05 0.00 -1.58 0.00 0.00 42.46 37.33 1s6l s ILE 186 CO 0.00 -0.28 0.59 0.68 -1.23 0.00 0.00 174.94 174.70 1s6l s VAL 187 N -2.12 0.01 -0.13 2.92 -7.23 0.18 -4.95 120.40 109.08 1s6l s VAL 187 Ca 0.37 -0.37 -0.20 0.00 -1.81 0.00 0.00 61.98 59.97 1s6l s VAL 187 Cb -0.08 -1.29 -0.04 0.00 0.56 0.00 0.00 36.38 35.53 1s6l s VAL 187 CO 0.27 -0.05 0.56 -0.44 -0.31 0.00 0.00 175.10 175.13 1s6l s SER 188 N -2.81 6.74 0.66 4.85 0.01 -1.26 0.19 113.70 122.08 1s6l s SER 188 Ca 0.04 0.88 0.16 0.00 1.31 0.00 0.00 55.95 58.34 1s6l s SER 188 Cb -0.02 -2.33 0.84 0.00 0.21 0.00 0.00 66.02 64.73 1s6l s SER 188 CO -0.08 -0.10 1.47 -0.37 0.41 0.00 0.00 173.24 174.58 1s6l h VAL 189 N 4.86 0.00 -0.23 3.43 -1.51 -1.88 1.15 116.25 122.08 1s6l h VAL 189 Ca -0.38 0.00 -0.16 0.00 -1.23 0.00 0.00 66.70 64.93 1s6l h VAL 189 Cb 1.17 0.34 0.00 0.00 -2.13 0.00 0.00 31.29 30.67 1s6l h VAL 189 CO 0.76 0.00 -0.48 0.45 -1.23 0.00 0.00 177.57 177.07 1s6l h HIS 190 N 0.00 0.93 0.00 5.19 3.86 -1.91 -2.32 115.15 120.90 1s6l h HIS 190 Ca 0.01 -0.34 -0.13 0.00 -1.16 0.00 0.00 60.37 58.75 1s6l h HIS 190 Cb 1.34 -0.17 -0.02 0.00 1.06 0.00 0.00 27.41 29.62 1s6l h HIS 190 CO 0.00 1.13 -0.74 0.93 0.86 0.00 0.00 177.93 180.11 1s6l h GLU 191 N 0.46 0.00 0.00 2.45 5.08 0.85 -3.23 114.58 120.18 1s6l h GLU 191 Ca 0.01 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.31 1s6l h GLU 191 Cb 1.08 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.32 1s6l h GLU 191 CO 0.11 0.51 -0.26 0.00 -1.00 0.00 0.00 179.01 178.36 1s6l h ALA 192 N 1.43 1.05 0.00 3.43 0.00 -0.79 -1.92 119.26 122.47 1s6l h ALA 192 Ca -0.04 -0.24 -0.11 0.00 0.00 0.00 0.00 54.91 54.52 1s6l h ALA 192 Cb 1.46 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.20 1s6l h ALA 192 CO 0.07 0.33 -0.60 0.35 0.00 0.00 0.00 179.25 179.40 1s6l h PHE 193 N 0.00 0.00 0.00 0.00 3.04 -1.44 -1.23 116.94 117.31 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 0.74 0.00 -0.03 0.00 2.56 0.00 0.00 35.95 39.22 1s6l h PHE 193 CO 0.00 0.50 -1.18 0.78 -2.02 0.00 0.00 178.31 176.39 1s6l h GLY 194 N 3.53 0.00 1.76 2.40 0.00 -1.53 0.28 103.07 109.52 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 -1.01 1.41 0.00 0.00 0.00 176.54 177.01 1s6l h LEU 195 N 0.00 0.00 0.00 3.11 4.07 -1.39 -1.80 115.31 119.29 1s6l h LEU 195 Ca -0.08 0.00 -0.21 0.00 0.08 0.00 0.00 57.88 57.67 1s6l h LEU 195 Cb 1.82 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 43.53 1s6l h LEU 195 CO 0.11 0.83 -1.21 1.23 -1.08 0.00 0.00 178.44 178.32 1s6l h GLY 196 N 3.27 0.00 1.95 0.83 0.00 -1.24 -3.30 103.07 104.58 1s6l h GLY 196 Ca -0.06 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.20 1s6l h GLY 196 CO 0.10 0.00 -0.35 -1.61 0.00 0.00 0.00 176.54 174.68 1s6l h GLN 197 N 0.00 0.00 0.00 4.80 4.15 -0.44 -3.20 115.11 120.41 1s6l h GLN 197 Ca -0.12 0.00 -0.04 0.00 0.77 0.00 0.00 58.65 59.26 1s6l h GLN 197 Cb 1.74 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 29.43 1s6l h GLN 197 CO 0.09 0.29 -0.19 1.49 -1.93 0.00 0.00 178.83 178.57 1s6l h GLU 198 N 0.00 0.00 -0.94 1.69 4.81 -1.40 -3.17 114.58 115.57 1s6l h GLU 198 Ca -0.01 0.00 0.19 0.00 -0.13 0.00 0.00 59.36 59.41 1s6l h GLU 198 Cb 1.23 0.00 -0.08 0.00 0.63 0.00 0.00 28.75 30.53 1s6l h GLU 198 CO 0.04 0.19 0.60 0.74 -0.73 0.00 0.00 179.01 179.86 1s6l h PHE 199 N 0.00 0.76 0.00 0.92 0.04 -1.64 0.37 116.94 117.39 1s6l h PHE 199 Ca -0.00 0.02 -0.07 0.00 2.80 0.00 0.00 57.97 60.73 1s6l h PHE 199 Cb 0.82 -0.23 -0.01 0.00 2.20 0.00 0.00 35.95 38.73 1s6l h PHE 199 CO 0.00 0.20 -0.31 -0.97 -0.60 0.00 0.00 178.31 176.63 1s6l h ASN 200 N 0.57 0.00 -1.00 2.17 -1.24 -1.77 -3.14 115.58 111.17 1s6l h ASN 200 Ca 0.51 0.00 0.29 0.00 0.71 0.00 0.00 56.30 57.81 1s6l h ASN 200 Cb 1.02 0.00 -0.04 0.00 0.73 0.00 0.00 38.32 40.03 1s6l h ASN 200 CO -0.25 0.31 0.73 -0.09 -1.29 0.00 0.00 177.43 176.85 1s6l h ARG 201 N 0.00 0.00 0.04 6.67 9.65 -0.40 0.66 114.38 131.01 1s6l h ARG 201 Ca -0.00 0.00 -0.23 0.00 -1.10 0.00 0.00 59.98 58.65 1s6l h ARG 201 Cb 0.90 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 29.46 1s6l h ARG 201 CO 0.04 0.00 -1.08 1.25 2.80 0.00 0.00 179.97 182.98 1s6l h HIS 202 N 0.00 0.16 0.00 2.20 2.76 -1.64 -3.26 115.15 115.37 1s6l h HIS 202 Ca 0.47 -0.12 -0.05 0.00 -2.20 0.00 0.00 60.37 58.48 1s6l h HIS 202 Cb 1.94 -0.01 -0.01 0.00 1.55 0.00 0.00 27.41 30.89 1s6l h HIS 202 CO 0.00 1.09 -0.41 -0.07 -1.30 0.00 0.00 177.93 177.24 1s6l h LEU 203 N 0.02 0.00 -2.16 0.26 3.38 -0.02 -3.26 115.31 113.53 1s6l h LEU 203 Ca -0.05 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.94 1s6l h LEU 203 Cb 1.84 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.58 1s6l h LEU 203 CO 0.15 0.22 0.06 0.25 0.09 0.00 0.00 178.44 179.21 1s6l h LEU 204 N 0.00 0.00 -2.05 1.67 5.85 -0.52 -3.48 115.31 116.78 1s6l h LEU 204 Ca -0.01 0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.71 1s6l h LEU 204 Cb 1.18 0.00 -0.13 0.00 0.37 0.00 0.00 40.66 42.08 1s6l h LEU 204 CO 0.03 0.00 -1.55 0.00 -0.34 0.00 0.00 178.44 176.58 1s6l n GLN 205 N -4.25 -4.45 -2.89 1.25 1.13 -1.23 -5.05 117.38 101.90 1s6l n GLN 205 Ca -0.01 3.37 -0.09 0.00 -1.94 0.00 0.00 57.00 58.33 1s6l n GLN 205 Cb 0.17 -4.97 -0.01 0.00 0.11 0.00 0.00 30.24 25.54 1s6l n GLN 205 CO 0.00 0.00 0.00 2.41 -1.44 0.00 0.00 177.06 178.03 1s6l n THR 206 N 1.62 -0.25 0.49 5.09 -1.04 -1.26 -5.03 114.28 113.89 1s6l n THR 206 Ca -0.40 -1.52 -0.20 0.00 -2.04 0.00 0.00 64.05 59.88 1s6l n THR 206 Cb 0.63 0.47 -0.10 0.00 -1.82 0.00 0.00 70.33 69.51 1s6l n THR 206 CO 0.00 0.00 0.00 0.24 -0.64 0.00 0.00 175.07 174.67 1s6l h MET 207 N 5.08 -1.19 -5.32 -2.82 2.86 -2.00 -3.45 114.93 108.08 1s6l h MET 207 Ca 0.09 0.08 -0.42 0.00 -2.06 0.00 0.00 59.70 57.40 1s6l h MET 207 Cb 1.07 0.27 -0.14 0.00 0.06 0.00 0.00 31.60 32.85 1s6l h MET 207 CO 0.10 -0.79 -0.70 -1.12 1.06 0.00 0.00 176.91 175.46 1s6l s SER 208 N -4.11 2.27 -0.08 1.22 0.01 -1.26 -5.15 113.70 106.59 1s6l s SER 208 Ca -0.19 -1.11 -0.05 0.00 1.31 0.00 0.00 55.95 55.91 1s6l s SER 208 Cb 0.02 -0.08 -0.04 0.00 0.21 0.00 0.00 66.02 66.13 1s6l s SER 208 CO 0.61 -0.33 0.13 -0.94 0.41 0.00 0.00 173.24 173.12 1s6l s SER 209 N -3.31 6.23 1.00 2.44 1.04 -1.26 -5.11 113.70 114.73 1s6l s SER 209 Ca 0.24 0.39 -0.02 0.00 0.48 0.00 0.00 55.95 57.04 1s6l s SER 209 Cb 0.03 -1.97 0.02 0.00 0.10 0.00 0.00 66.02 64.20 1s6l s SER 209 CO 0.07 0.36 0.13 0.54 0.98 0.00 0.00 173.24 175.33 1s6l n ARG 210 N 1.70 -0.35 0.03 4.02 5.12 -1.26 -5.02 116.66 120.91 1s6l n ARG 210 Ca -0.17 -0.20 0.00 0.00 -1.93 0.00 0.00 57.85 55.54 1s6l n ARG 210 Cb 0.54 -0.14 0.00 0.00 -1.16 0.00 0.00 32.46 31.70 1s6l n ARG 210 CO 0.00 0.00 0.00 2.41 -1.93 0.00 0.00 177.63 178.11 1s6l n THR 211 N -2.30 0.00 0.00 0.55 -1.04 -1.26 -5.31 114.28 104.92 1s6l n THR 211 Ca 0.02 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.03 1s6l n THR 211 Cb 0.06 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.57 1s6l n THR 211 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62