#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s6l n ASP 22 N 0.00 -0.52 0.00 0.00 9.92 -1.26 -4.86 116.55 119.82 1s6l n ASP 22 Ca 0.00 -2.43 0.00 0.00 -0.53 0.00 0.00 54.79 51.83 1s6l n ASP 22 Cb 0.00 -0.47 0.00 0.00 -0.64 0.00 0.00 41.12 40.01 1s6l n ASP 22 CO 0.00 0.00 0.00 -0.11 0.13 0.00 0.00 177.20 177.22 1s6l n LEU 23 N 2.66 0.00 0.00 0.64 0.00 -1.26 -5.15 117.00 113.88 1s6l n LEU 23 Ca 0.28 0.00 -0.28 0.00 0.00 0.00 0.00 56.01 56.01 1s6l n LEU 23 Cb 0.49 0.00 0.21 0.00 0.00 0.00 0.00 43.42 44.12 1s6l n LEU 23 CO 0.09 -0.00 0.75 0.18 0.00 0.00 0.00 177.39 178.41 1s6l n LEU 24 N -0.66 0.00 -4.31 -1.96 4.77 -1.26 -5.01 117.00 108.57 1s6l n LEU 24 Ca 0.00 -1.29 -0.46 0.00 -0.03 0.00 0.00 56.01 54.23 1s6l n LEU 24 Cb 0.00 -0.97 -0.04 0.00 -2.33 0.00 0.00 43.42 40.08 1s6l n LEU 24 CO 0.00 -1.66 0.24 0.68 -1.33 0.00 0.00 177.39 175.32 1s6l s VAL 25 N -3.46 5.32 0.37 4.08 -7.23 -1.26 -4.91 120.40 113.31 1s6l s VAL 25 Ca 0.71 -1.86 0.15 0.00 -1.81 0.00 0.00 61.98 59.17 1s6l s VAL 25 Cb -0.04 -4.37 0.13 0.00 0.56 0.00 0.00 36.38 32.66 1s6l s VAL 25 CO 0.51 -0.92 1.86 1.55 -0.31 0.00 0.00 175.10 177.79 1s6l h PRO 26 N 8.48 0.00 0.36 4.82 0.13 -1.98 -3.21 132.00 140.60 1s6l h PRO 26 Ca -0.15 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.97 1s6l h PRO 26 Cb 1.08 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.18 1s6l h PRO 26 CO 0.93 0.32 -0.39 1.25 -0.23 0.00 0.00 178.00 179.89 1s6l h LEU 27 N 0.00 -1.07 -2.18 1.56 6.46 -1.98 -1.52 115.31 116.58 1s6l h LEU 27 Ca -0.00 0.09 0.06 0.00 -0.12 0.00 0.00 57.88 57.91 1s6l h LEU 27 Cb 0.60 0.37 -0.01 0.00 -0.73 0.00 0.00 40.66 40.89 1s6l h LEU 27 CO 0.04 -0.53 0.18 -0.07 -0.62 0.00 0.00 178.44 177.44 1s6l h LEU 28 N -0.78 0.00 0.24 2.25 3.38 -1.95 1.03 115.31 119.46 1s6l h LEU 28 Ca -0.03 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 1s6l h LEU 28 Cb 0.71 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.46 1s6l h LEU 28 CO -0.08 0.00 -0.11 0.03 0.09 0.00 0.00 178.44 178.36 1s6l h ARG 29 N 0.00 -0.31 0.00 1.13 2.47 -1.32 0.84 114.38 117.20 1s6l h ARG 29 Ca 0.09 0.02 -0.15 0.00 -1.26 0.00 0.00 59.98 58.68 1s6l h ARG 29 Cb 0.44 0.07 -0.02 0.00 -1.65 0.00 0.00 29.97 28.81 1s6l h ARG 29 CO -0.00 -0.01 -0.71 1.49 0.56 0.00 0.00 179.97 181.30 1s6l h GLU 30 N -0.60 0.00 0.10 0.04 4.57 -0.81 -3.19 114.58 114.69 1s6l h GLU 30 Ca -0.03 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.14 1s6l h GLU 30 Cb 0.44 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.03 1s6l h GLU 30 CO 0.05 0.71 -0.05 1.25 -1.18 0.00 0.00 179.01 179.80 1s6l h LEU 31 N 0.00 -0.11 -2.04 1.64 7.12 0.12 -3.05 115.31 118.98 1s6l h LEU 31 Ca -0.01 -0.42 0.10 0.00 0.13 0.00 0.00 57.88 57.68 1s6l h LEU 31 Cb 1.40 0.03 -0.01 0.00 -0.53 0.00 0.00 40.66 41.55 1s6l h LEU 31 CO 0.09 0.40 0.38 0.00 -0.13 0.00 0.00 178.44 179.18 1s6l h ALA 32 N 0.11 2.02 0.00 1.25 0.00 0.64 0.85 119.26 124.14 1s6l h ALA 32 Ca -0.01 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1s6l h ALA 32 Cb 0.53 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 1s6l h ALA 32 CO 0.02 -0.55 -0.08 0.87 0.00 0.00 0.00 179.25 179.51 1s6l h LYS 33 N 0.00 0.00 -5.66 0.00 1.57 -1.52 -3.47 116.57 107.49 1s6l h LYS 33 Ca 0.16 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 58.59 1s6l h LYS 33 Cb 0.91 0.00 0.16 0.00 0.08 0.00 0.00 32.23 33.38 1s6l h LYS 33 CO -0.00 0.08 -0.73 0.41 -0.57 0.00 0.00 179.45 178.64 1s6l n GLY 34 N -0.16 -0.41 3.27 3.86 0.00 0.30 -5.02 105.19 107.02 1s6l n GLY 34 Ca -0.00 0.14 -0.16 0.00 0.00 0.00 0.00 46.02 46.00 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 -5.65 1.10 -0.25 1.61 1.81 -1.26 -5.10 118.95 111.22 1s6l s ARG 35 Ca 0.19 -1.42 -0.28 0.00 -1.72 0.00 0.00 55.73 52.49 1s6l s ARG 35 Cb -0.08 -0.80 -0.04 0.00 -0.45 0.00 0.00 34.95 33.59 1s6l s ARG 35 CO 0.72 0.12 2.00 -1.25 -0.68 0.00 0.00 175.30 176.21 1s6l s PRO 36 N -3.44 3.30 -0.26 3.54 0.04 -1.26 -4.64 135.00 132.29 1s6l s PRO 36 Ca 0.16 1.79 0.02 0.00 0.04 0.00 0.00 61.00 63.00 1s6l s PRO 36 Cb -0.00 -4.27 0.05 0.00 0.04 0.00 0.00 34.50 30.32 1s6l s PRO 36 CO 0.02 -1.90 -0.10 0.54 0.04 0.00 0.00 177.00 175.61 1s6l s VAL 37 N 7.36 2.32 0.96 -0.36 0.11 -0.64 -4.94 120.40 125.21 1s6l s VAL 37 Ca 0.90 -1.52 -0.16 0.00 -2.93 0.00 0.00 61.98 58.27 1s6l s VAL 37 Cb -0.29 -2.32 0.23 0.00 -1.53 0.00 0.00 36.38 32.47 1s6l s VAL 37 CO 0.34 0.01 1.10 -1.54 -3.33 0.00 0.00 175.10 171.68 1s6l n SER 38 N 4.48 -0.75 0.09 3.54 3.41 -1.26 -2.48 113.62 120.65 1s6l n SER 38 Ca -0.15 -1.29 -0.16 0.00 -0.26 0.00 0.00 58.87 57.02 1s6l n SER 38 Cb 0.43 -0.90 -0.09 0.00 -0.26 0.00 0.00 64.21 63.39 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 0.37 0.00 4.33 -0.00 -1.97 -1.48 114.38 115.62 1s6l h ARG 39 Ca -0.38 -0.50 -0.03 0.00 -0.50 0.00 0.00 59.98 58.57 1s6l h ARG 39 Cb 1.08 0.17 -0.00 0.00 0.00 0.00 0.00 29.97 31.21 1s6l h ARG 39 CO 0.26 1.19 -0.15 1.79 0.00 0.00 0.00 179.97 183.05 1s6l h THR 40 N 0.16 0.60 0.13 2.04 1.35 -1.96 1.57 112.91 116.81 1s6l h THR 40 Ca -0.12 -0.68 -0.30 0.00 -0.55 0.00 0.00 66.41 64.77 1s6l h THR 40 Cb 1.79 1.44 -0.00 0.00 -1.73 0.00 0.00 68.15 69.65 1s6l h THR 40 CO 0.19 0.15 -1.51 0.74 -0.25 0.00 0.00 175.52 174.84 1s6l h THR 41 N 0.00 0.99 -0.49 6.82 2.02 -1.92 1.20 112.91 121.53 1s6l h THR 41 Ca -0.00 -2.42 -0.05 0.00 0.77 0.00 0.00 66.41 64.71 1s6l h THR 41 Cb 0.43 2.71 -0.02 0.00 -1.74 0.00 0.00 68.15 69.53 1s6l h THR 41 CO 0.02 0.74 0.11 0.25 0.37 0.00 0.00 175.52 177.01 1s6l h LEU 42 N -0.21 0.69 -0.08 2.58 5.85 -0.92 2.06 115.31 125.29 1s6l h LEU 42 Ca -0.32 -0.12 -0.18 0.00 0.84 0.00 0.00 57.88 58.10 1s6l h LEU 42 Cb 1.84 -0.18 0.01 0.00 0.37 0.00 0.00 40.66 42.70 1s6l h LEU 42 CO 0.08 0.69 -0.65 0.00 -0.34 0.00 0.00 178.44 178.23 1s6l h ALA 43 N 1.40 0.19 0.00 1.25 0.00 0.22 0.14 119.26 122.47 1s6l h ALA 43 Ca 0.16 -0.56 -0.08 0.00 0.00 0.00 0.00 54.91 54.42 1s6l h ALA 43 Cb 0.29 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1s6l h ALA 43 CO -0.00 0.48 -0.40 0.78 0.00 0.00 0.00 179.25 180.11 1s6l h GLY 44 N 0.20 0.00 1.07 0.00 0.00 0.23 0.29 103.07 104.86 1s6l h GLY 44 Ca -0.06 0.00 -0.28 0.00 0.00 0.00 0.00 47.33 47.00 1s6l h GLY 44 CO 0.13 0.00 -1.19 -2.22 0.00 0.00 0.00 176.54 173.27 1s6l h ILE 45 N 0.00 1.35 0.00 2.60 2.04 0.34 -3.11 117.51 120.72 1s6l h ILE 45 Ca -0.00 -2.54 0.00 0.00 1.00 0.00 0.00 64.86 63.31 1s6l h ILE 45 Cb 0.75 2.95 0.00 0.00 -0.74 0.00 0.00 36.82 39.78 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 -3.88 0.00 -1.59 1.44 4.32 0.03 -4.84 117.00 112.48 1s6l n LEU 46 Ca -0.15 0.50 -0.19 0.00 -0.02 0.00 0.00 56.01 56.14 1s6l n LEU 46 Cb 0.97 -0.50 -0.07 0.00 -1.62 0.00 0.00 43.42 42.20 1s6l n LEU 46 CO 0.56 -0.07 -0.19 -0.67 -1.22 0.00 0.00 177.39 175.80 1s6l n ASP 47 N -1.50 -5.38 -4.71 -1.43 -0.08 0.73 -4.96 116.55 99.23 1s6l n ASP 47 Ca 0.06 0.41 -0.24 0.00 -1.51 0.00 0.00 54.79 53.52 1s6l n ASP 47 Cb 0.29 -4.57 -0.06 0.00 2.34 0.00 0.00 41.12 39.11 1s6l n ASP 47 CO 0.00 0.00 0.00 0.26 0.12 0.00 0.00 177.20 177.58 1s6l s TRP 48 N -2.76 2.87 0.40 -0.67 0.23 0.37 -4.99 118.94 114.39 1s6l s TRP 48 Ca 0.00 -0.16 -0.26 0.00 -2.03 0.00 0.00 56.10 53.65 1s6l s TRP 48 Cb 0.00 -1.32 -0.09 0.00 0.03 0.00 0.00 33.47 32.10 1s6l s TRP 48 CO 0.00 0.56 1.22 -1.25 0.96 0.00 0.00 176.95 178.44 1s6l s PRO 49 N -3.50 4.04 0.45 4.98 0.04 -1.26 -4.31 135.00 135.45 1s6l s PRO 49 Ca 0.31 1.97 0.17 0.00 0.04 0.00 0.00 61.00 63.49 1s6l s PRO 49 Cb -0.08 -2.73 0.94 0.00 0.04 0.00 0.00 34.50 32.67 1s6l s PRO 49 CO 0.21 -0.37 1.46 0.00 0.04 0.00 0.00 177.00 178.34 1s6l h ALA 50 N 2.71 1.30 0.05 8.56 0.00 -1.91 0.23 119.26 130.20 1s6l h ALA 50 Ca -0.49 0.00 -0.23 0.00 0.00 0.00 0.00 54.91 54.19 1s6l h ALA 50 Cb 1.24 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.01 1s6l h ALA 50 CO 0.63 -0.30 -1.08 1.05 0.00 0.00 0.00 179.25 179.55 1s6l h GLU 51 N 0.00 0.11 -0.37 0.00 4.11 -1.98 -1.52 114.58 114.94 1s6l h GLU 51 Ca 0.00 -0.18 -0.12 0.00 0.07 0.00 0.00 59.36 59.12 1s6l h GLU 51 Cb 0.73 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.04 1s6l h GLU 51 CO 0.00 1.07 -0.25 0.00 0.07 0.00 0.00 179.01 179.90 1s6l h ARG 52 N 0.03 0.82 -0.27 1.06 -0.00 -0.90 0.23 114.38 115.34 1s6l h ARG 52 Ca -0.06 -0.39 -0.02 0.00 -0.50 0.00 0.00 59.98 59.01 1s6l h ARG 52 Cb 1.82 -0.01 -0.01 0.00 0.00 0.00 0.00 29.97 31.77 1s6l h ARG 52 CO 0.16 1.02 0.09 0.28 0.00 0.00 0.00 179.97 181.52 1s6l h VAL 53 N 0.61 1.20 -0.26 2.04 2.07 -1.56 -2.82 116.25 117.53 1s6l h VAL 53 Ca 0.07 -0.62 0.05 0.00 0.82 0.00 0.00 66.70 67.02 1s6l h VAL 53 Cb 0.82 1.10 -0.05 0.00 -1.52 0.00 0.00 31.29 31.63 1s6l h VAL 53 CO 0.07 0.21 -0.07 0.00 0.02 0.00 0.00 177.57 177.79 1s6l h ALA 54 N 0.92 0.16 -1.00 1.67 0.00 -1.04 -1.14 119.26 118.83 1s6l h ALA 54 Ca 0.09 0.10 0.24 0.00 0.00 0.00 0.00 54.91 55.34 1s6l h ALA 54 Cb 0.23 0.21 -0.08 0.00 0.00 0.00 0.00 17.79 18.15 1s6l h ALA 54 CO -0.00 -0.47 0.65 0.00 0.00 0.00 0.00 179.25 179.42 1s6l h ALA 55 N 1.25 2.23 -0.05 0.00 0.00 -0.34 0.51 119.26 122.87 1s6l h ALA 55 Ca 0.13 0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.98 1s6l h ALA 55 Cb 0.20 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1s6l h ALA 55 CO -0.27 -0.59 -0.42 0.28 0.00 0.00 0.00 179.25 178.25 1s6l h VAL 56 N 0.40 1.31 0.00 0.00 2.07 -0.97 -2.63 116.25 116.43 1s6l h VAL 56 Ca 0.55 -1.50 0.00 0.00 0.82 0.00 0.00 66.70 66.57 1s6l h VAL 56 Cb 1.39 1.75 0.00 0.00 -1.52 0.00 0.00 31.29 32.91 1s6l h VAL 56 CO -0.25 0.44 -0.09 -0.07 0.02 0.00 0.00 177.57 177.62 1s6l h LEU 57 N 0.09 0.00 -2.57 2.57 4.07 0.21 -3.22 115.31 116.47 1s6l h LEU 57 Ca 0.01 -0.02 0.00 0.00 0.08 0.00 0.00 57.88 57.95 1s6l h LEU 57 Cb 0.78 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.52 1s6l h LEU 57 CO 0.06 0.01 0.07 -0.33 -1.08 0.00 0.00 178.44 177.17 1s6l h GLU 58 N 0.00 0.00 0.00 1.13 5.08 -0.88 -1.86 114.58 118.05 1s6l h GLU 58 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1s6l h GLU 58 Cb 0.86 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.11 1s6l h GLU 58 CO 0.00 0.00 -0.25 0.94 -1.00 0.00 0.00 179.01 178.70 1s6l n GLN 59 N -2.92 0.60 -3.32 2.33 -0.06 -1.23 -4.90 117.38 107.88 1s6l n GLN 59 Ca -0.03 -1.43 -0.33 0.00 -2.00 0.00 0.00 57.00 53.22 1s6l n GLN 59 Cb 0.13 -0.83 -0.05 0.00 -4.06 0.00 0.00 30.24 25.43 1s6l n GLN 59 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1s6l n ALA 60 N -0.46 4.38 0.26 1.69 0.00 -0.70 -4.85 120.51 120.84 1s6l n ALA 60 Ca 0.05 -4.77 0.12 0.00 0.00 0.00 0.00 53.44 48.84 1s6l n ALA 60 Cb 0.62 -1.41 0.60 0.00 0.00 0.00 0.00 19.45 19.26 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 3.35 0.00 -0.76 0.00 1.35 -1.91 -2.47 112.91 112.48 1s6l h THR 61 Ca 0.20 -0.10 -0.45 0.00 -0.55 0.00 0.00 66.41 65.50 1s6l h THR 61 Cb 0.66 0.72 -0.23 0.00 -1.73 0.00 0.00 68.15 67.57 1s6l h THR 61 CO 0.99 0.00 0.58 -0.24 -0.25 0.00 0.00 175.52 176.60 1s6l n SER 62 N -2.33 5.25 -4.50 5.36 2.88 -1.26 -4.87 113.62 114.14 1s6l n SER 62 Ca -0.00 -3.33 -0.43 0.00 -1.33 0.00 0.00 58.87 53.78 1s6l n SER 62 Cb 0.12 -0.88 -0.08 0.00 -0.75 0.00 0.00 64.21 62.61 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 -3.05 5.06 -0.10 2.46 2.01 -0.93 -5.05 115.64 116.04 1s6l s THR 63 Ca 0.46 -0.20 -0.27 0.00 0.31 0.00 0.00 61.69 61.99 1s6l s THR 63 Cb 0.38 -4.03 -0.02 0.00 0.01 0.00 0.00 72.50 68.83 1s6l s THR 63 CO 0.04 -0.40 0.90 -0.70 -0.69 0.00 0.00 174.62 173.78 1s6l s GLU 64 N 2.23 4.41 0.27 4.92 2.12 -1.26 -5.05 118.70 126.34 1s6l s GLU 64 Ca 0.14 1.21 0.09 0.00 0.36 0.00 0.00 54.97 56.76 1s6l s GLU 64 Cb -0.16 -3.52 -0.04 0.00 0.26 0.00 0.00 34.13 30.66 1s6l s GLU 64 CO 0.14 -0.21 0.06 0.71 -0.54 0.00 0.00 175.26 175.43 1s6l s TYR 65 N 1.67 2.82 -0.09 5.30 2.02 -1.26 -3.05 117.35 124.76 1s6l s TYR 65 Ca 0.44 -0.20 -0.14 0.00 -0.37 0.00 0.00 57.07 56.81 1s6l s TYR 65 Cb -0.18 -1.28 0.03 0.00 -0.40 0.00 0.00 41.96 40.13 1s6l s TYR 65 CO 0.18 0.58 0.35 0.34 -1.57 0.00 0.00 175.55 175.43 1s6l s ASP 66 N -3.73 -0.32 0.74 2.29 2.15 0.22 -4.63 116.67 113.38 1s6l s ASP 66 Ca 0.32 0.49 0.00 0.00 0.43 0.00 0.00 52.55 53.80 1s6l s ASP 66 Cb -0.07 0.58 0.00 0.00 -0.30 0.00 0.00 42.92 43.13 1s6l s ASP 66 CO 0.22 -0.26 0.00 1.17 -0.17 0.00 0.00 175.17 176.13 1s6l n LYS 67 N 2.25 0.00 0.00 4.34 4.81 -1.26 -1.84 118.16 126.45 1s6l n LYS 67 Ca -0.16 0.00 0.11 0.00 -0.87 0.00 0.00 58.31 57.39 1s6l n LYS 67 Cb 0.57 0.00 0.10 0.00 0.02 0.00 0.00 35.03 35.72 1s6l n LYS 67 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1s6l n ASP 68 N 7.86 0.68 0.00 3.14 9.92 -1.26 -4.91 116.55 131.98 1s6l n ASP 68 Ca 0.00 -0.50 0.00 0.00 -0.53 0.00 0.00 54.79 53.76 1s6l n ASP 68 Cb 0.00 0.56 0.00 0.00 -0.64 0.00 0.00 41.12 41.04 1s6l n ASP 68 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1s6l n GLY 69 N 1.49 1.26 3.91 0.44 0.00 -0.77 -5.15 105.19 106.37 1s6l n GLY 69 Ca 0.05 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.49 6.43 -0.11 1.61 0.01 -0.85 -4.69 114.94 115.85 1s6l s ASN 70 Ca 0.00 0.60 -0.30 0.00 -0.71 0.00 0.00 52.86 52.46 1s6l s ASN 70 Cb 0.00 -2.10 -0.01 0.00 0.41 0.00 0.00 41.25 39.55 1s6l s ASN 70 CO 0.00 -0.13 1.02 -0.63 -1.51 0.00 0.00 177.10 175.85 1s6l s ILE 71 N -1.98 4.75 0.00 0.60 1.01 -1.03 -0.61 121.20 123.94 1s6l s ILE 71 Ca 0.42 2.02 0.00 0.00 0.00 0.00 0.00 60.65 63.09 1s6l s ILE 71 Cb -0.11 -4.30 0.00 0.00 0.01 0.00 0.00 42.46 38.06 1s6l s ILE 71 CO 0.29 -0.00 0.00 0.00 0.00 0.00 0.00 174.94 175.23 1s6l n ILE 72 N 4.59 0.00 -1.81 2.92 0.00 -1.17 -1.61 119.36 122.27 1s6l n ILE 72 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 62.75 62.43 1s6l n ILE 72 Cb 0.48 0.00 -0.01 0.00 0.00 0.00 0.00 39.64 40.12 1s6l n ILE 72 CO 0.00 0.00 0.00 -0.83 0.00 0.00 0.00 176.55 175.72 1s6l s GLY 73 N -0.87 2.61 0.00 4.50 0.00 -1.24 -4.90 107.32 107.42 1s6l s GLY 73 Ca 0.00 1.55 0.00 0.00 0.00 0.00 0.00 44.72 46.27 1s6l s GLY 73 CO 0.00 2.36 0.00 -1.72 0.00 0.00 0.00 173.10 173.74 1s6l n TYR 74 N 1.18 -0.10 0.00 1.90 4.01 -1.26 -4.28 117.16 118.62 1s6l n TYR 74 Ca 0.04 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.78 1s6l n TYR 74 Cb 0.39 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.42 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 0.00 1.56 5.09 2.72 0.00 -1.26 -4.94 105.19 108.35 1s6l n GLY 75 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -4.91 0.99 4.77 -1.26 -4.29 117.00 112.31 1s6l n LEU 76 Ca 0.00 0.00 -0.22 0.00 -0.03 0.00 0.00 56.01 55.76 1s6l n LEU 76 Cb 0.00 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.06 1s6l n LEU 76 CO 0.00 0.00 -0.10 0.28 -1.33 0.00 0.00 177.39 176.24 1s6l s THR 77 N 0.00 4.94 -0.02 -5.08 -1.32 -1.26 -5.04 115.64 107.86 1s6l s THR 77 Ca 0.00 -1.10 -0.15 0.00 -1.21 0.00 0.00 61.69 59.22 1s6l s THR 77 Cb 0.00 -3.65 -0.33 0.00 -1.51 0.00 0.00 72.50 67.01 1s6l s THR 77 CO 0.00 -0.30 0.84 0.25 -2.21 0.00 0.00 174.62 173.21 1s6l h LEU 78 N 1.47 0.70-10.04 9.08 6.46 -1.96 -3.47 115.31 117.56 1s6l h LEU 78 Ca -0.50 -0.93 -0.55 0.00 -0.12 0.00 0.00 57.88 55.79 1s6l h LEU 78 Cb 1.23 -0.23 -0.02 0.00 -0.73 0.00 0.00 40.66 40.91 1s6l h LEU 78 CO 0.62 1.69 -0.34 -0.13 -0.62 0.00 0.00 178.44 179.66 1s6l s ARG 79 N -2.56 3.53 0.08 1.25 0.52 -1.26 -5.05 118.95 115.46 1s6l s ARG 79 Ca -0.13 -0.31 -0.31 0.00 -0.52 0.00 0.00 55.73 54.47 1s6l s ARG 79 Cb 0.04 -2.85 -0.08 0.00 0.52 0.00 0.00 34.95 32.58 1s6l s ARG 79 CO 0.89 0.42 1.56 -2.00 0.02 0.00 0.00 175.30 176.19 1s6l s GLU 80 N -3.18 4.23 0.14 3.54 2.12 -1.26 -4.99 118.70 119.30 1s6l s GLU 80 Ca 0.39 2.24 0.01 0.00 0.36 0.00 0.00 54.97 57.97 1s6l s GLU 80 Cb -0.11 -3.46 0.01 0.00 0.26 0.00 0.00 34.13 30.83 1s6l s GLU 80 CO 0.28 -0.64 0.10 0.25 -0.54 0.00 0.00 175.26 174.70 1s6l n THR 81 N 4.47 0.00 -0.05 -1.70 -2.24 -1.26 -5.07 114.28 108.43 1s6l n THR 81 Ca 0.14 -0.56 -0.12 0.00 -2.27 0.00 0.00 64.05 61.24 1s6l n THR 81 Cb 0.41 -0.35 -0.14 0.00 -2.10 0.00 0.00 70.33 68.15 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 -1.90 0.96 -4.60 3.42 3.41 -1.26 -4.83 113.62 108.81 1s6l n SER 82 Ca -0.01 0.19 -0.43 0.00 -0.26 0.00 0.00 58.87 58.36 1s6l n SER 82 Cb 0.16 0.07 -0.02 0.00 -0.26 0.00 0.00 64.21 64.16 1s6l n SER 82 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 1s6l s TYR 83 N -2.55 2.79 -0.14 7.33 1.51 -1.24 -4.63 117.35 120.43 1s6l s TYR 83 Ca -0.13 0.76 -0.05 0.00 -1.01 0.00 0.00 57.07 56.64 1s6l s TYR 83 Cb 0.07 -4.35 -0.04 0.00 -0.11 0.00 0.00 41.96 37.54 1s6l s TYR 83 CO 0.79 -1.32 0.04 0.08 -1.11 0.00 0.00 175.55 174.04 1s6l s VAL 84 N 4.50 4.66 -0.26 0.71 1.01 -0.45 0.26 120.40 130.83 1s6l s VAL 84 Ca 0.49 -0.10 0.00 0.00 0.00 0.00 0.00 61.98 62.38 1s6l s VAL 84 Cb -0.08 -3.03 0.07 0.00 0.00 0.00 0.00 36.38 33.33 1s6l s VAL 84 CO 0.30 0.54 0.00 0.12 0.00 0.00 0.00 175.10 176.07 1s6l s PHE 85 N -0.29 2.23 -0.17 5.22 5.36 0.21 0.01 117.98 130.55 1s6l s PHE 85 Ca 0.08 -1.78 -0.08 0.00 -0.96 0.00 0.00 56.93 54.18 1s6l s PHE 85 Cb -0.12 -1.70 -0.04 0.00 -0.34 0.00 0.00 43.02 40.81 1s6l s PHE 85 CO 0.02 -0.80 0.10 -1.21 -1.46 0.00 0.00 175.22 171.88 1s6l s GLU 86 N 1.44 3.91 -0.03 10.12 2.02 0.32 0.98 118.70 137.45 1s6l s GLU 86 Ca 0.00 -0.25 -0.01 0.00 0.02 0.00 0.00 54.97 54.73 1s6l s GLU 86 Cb -0.18 -3.28 0.03 0.00 0.10 0.00 0.00 34.13 30.80 1s6l s GLU 86 CO -0.11 0.41 0.05 0.96 0.02 0.00 0.00 175.26 176.60 1s6l s ILE 87 N 0.01 -0.10 0.00 -1.63 -4.36 -0.94 0.13 121.20 114.31 1s6l s ILE 87 Ca 0.08 0.36 0.00 0.00 -0.26 0.00 0.00 60.65 60.84 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 0.00 0.15 0.00 -0.67 0.24 0.00 0.00 174.94 174.66 1s6l n ASP 88 N 4.96 0.00 -1.62 4.36 2.03 -1.26 -0.92 116.55 124.10 1s6l n ASP 88 Ca -0.11 0.00 -0.03 0.00 0.52 0.00 0.00 54.79 55.17 1s6l n ASP 88 Cb 0.50 0.00 0.03 0.00 -0.72 0.00 0.00 41.12 40.93 1s6l n ASP 88 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1s6l n ASP 89 N 0.19 -0.86 -3.70 1.67 2.03 -1.26 -5.10 116.55 109.52 1s6l n ASP 89 Ca 0.00 -1.62 -0.26 0.00 0.52 0.00 0.00 54.79 53.43 1s6l n ASP 89 Cb 0.00 0.35 -0.17 0.00 -0.72 0.00 0.00 41.12 40.58 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 0.05 0.45 -0.19 -0.67 1.81 -0.10 -5.12 118.95 115.19 1s6l s ARG 90 Ca 0.03 -0.21 -0.29 0.00 -1.72 0.00 0.00 55.73 53.54 1s6l s ARG 90 Cb 0.17 -1.79 -0.00 0.00 -0.45 0.00 0.00 34.95 32.87 1s6l s ARG 90 CO -0.05 -0.58 1.13 1.03 -0.68 0.00 0.00 175.30 176.15 1s6l s ARG 91 N 1.97 4.26 0.34 3.54 3.00 -1.26 -2.22 118.95 128.58 1s6l s ARG 91 Ca 0.01 1.50 0.09 0.00 0.00 0.00 0.00 55.73 57.33 1s6l s ARG 91 Cb -0.16 -3.68 -0.06 0.00 0.00 0.00 0.00 34.95 31.06 1s6l s ARG 91 CO -0.08 -0.63 -0.01 -0.51 0.00 0.00 0.00 175.30 174.07 1s6l s LEU 92 N 3.19 2.92 0.20 2.53 1.43 0.27 -4.97 118.68 124.25 1s6l s LEU 92 Ca 0.49 -1.06 0.02 0.00 -1.03 0.00 0.00 54.13 52.56 1s6l s LEU 92 Cb -0.18 -1.25 -0.05 0.00 0.03 0.00 0.00 46.19 44.74 1s6l s LEU 92 CO 0.11 -0.24 0.01 -0.31 0.23 0.00 0.00 176.35 176.15 1s6l s TYR 93 N -2.55 1.36 0.28 0.29 2.02 -1.26 0.67 117.35 118.16 1s6l s TYR 93 Ca 0.34 -0.99 -0.10 0.00 -0.37 0.00 0.00 57.07 55.95 1s6l s TYR 93 Cb 0.01 -0.78 0.00 0.00 -0.40 0.00 0.00 41.96 40.79 1s6l s TYR 93 CO 0.19 -0.15 0.49 0.00 -1.57 0.00 0.00 175.55 174.50 1s6l s ALA 94 N -3.57 0.06 -1.09 3.71 0.00 0.14 -4.33 121.76 116.67 1s6l s ALA 94 Ca 0.26 -1.08 0.13 0.00 0.00 0.00 0.00 51.96 51.27 1s6l s ALA 94 Cb 0.06 1.08 -0.03 0.00 0.00 0.00 0.00 23.12 24.23 1s6l s ALA 94 CO 0.06 -0.84 0.71 0.91 0.00 0.00 0.00 175.76 176.61 1s6l n TRP 95 N -0.44 0.00 -3.56 0.00 7.02 -1.26 -3.72 117.44 115.49 1s6l n TRP 95 Ca -0.01 0.00 -0.10 0.00 -1.02 0.00 0.00 57.50 56.36 1s6l n TRP 95 Cb 0.62 0.00 -0.02 0.00 -2.42 0.00 0.00 31.31 29.49 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 2.00 1.84 0.00 0.00 0.00 -0.87 -2.14 119.26 120.10 1s6l h ALA 97 Ca -0.29 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.43 1s6l h ALA 97 Cb 1.29 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 19.07 1s6l h ALA 97 CO 0.33 -0.60 -1.01 1.25 0.00 0.00 0.00 179.25 179.22 1s6l h LEU 98 N 0.00 0.00 -1.74 0.00 5.85 -1.86 -3.37 115.31 114.19 1s6l h LEU 98 Ca 0.12 -0.47 0.50 0.00 0.84 0.00 0.00 57.88 58.87 1s6l h LEU 98 Cb 1.06 0.00 -0.07 0.00 0.37 0.00 0.00 40.66 42.02 1s6l h LEU 98 CO -0.00 1.32 1.37 0.47 -0.34 0.00 0.00 178.44 181.26 1s6l n ASP 99 N -4.48 0.00 -0.09 1.25 8.00 -0.81 0.10 116.55 120.52 1s6l n ASP 99 Ca -0.26 0.93 0.03 0.00 0.71 0.00 0.00 54.79 56.20 1s6l n ASP 99 Cb 0.59 -0.43 0.36 0.00 -0.02 0.00 0.00 41.12 41.61 1s6l n ASP 99 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 1s6l h THR 100 N 0.00 1.12 -3.19 -3.53 1.35 -1.71 -3.44 112.91 103.51 1s6l h THR 100 Ca 0.82 -0.25 -0.03 0.00 -0.55 0.00 0.00 66.41 66.40 1s6l h THR 100 Cb 3.55 0.33 -0.12 0.00 -1.73 0.00 0.00 68.15 70.18 1s6l h THR 100 CO -0.01 0.13 0.07 -0.22 -0.25 0.00 0.00 175.52 175.25 1s6l s LEU 101 N -9.63 -0.10 -0.07 3.87 2.96 0.28 -4.85 118.68 111.14 1s6l s LEU 101 Ca -0.09 -0.17 0.05 0.00 -0.22 0.00 0.00 54.13 53.70 1s6l s LEU 101 Cb 0.18 2.24 -0.08 0.00 0.50 0.00 0.00 46.19 49.03 1s6l s LEU 101 CO 0.75 -0.92 0.00 -0.38 -1.32 0.00 0.00 176.35 174.49 1s6l n ILE 102 N -0.31 0.46 -3.15 6.68 5.41 -1.26 -4.77 119.36 122.41 1s6l n ILE 102 Ca -0.16 -0.26 0.04 0.00 1.00 0.00 0.00 62.75 63.37 1s6l n ILE 102 Cb 0.64 -0.82 -0.00 0.00 -0.71 0.00 0.00 39.64 38.75 1s6l n ILE 102 CO 0.00 0.00 0.00 -0.36 0.00 0.00 0.00 176.55 176.19 1s6l s PHE 103 N -2.16 -1.69 0.19 1.39 0.08 -1.26 -5.02 117.98 109.50 1s6l s PHE 103 Ca -0.05 0.94 0.19 0.00 0.12 0.00 0.00 56.93 58.12 1s6l s PHE 103 Cb 0.02 0.29 0.69 0.00 -0.57 0.00 0.00 43.02 43.46 1s6l s PHE 103 CO 0.26 -1.00 1.74 -1.00 -0.10 0.00 0.00 175.22 175.12 1s6l h PRO 104 N 7.83 0.00 0.00 0.24 0.13 -1.93 -2.81 132.00 135.46 1s6l h PRO 104 Ca -0.02 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.04 1s6l h PRO 104 Cb 1.19 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.31 1s6l h PRO 104 CO 0.12 0.37 -0.34 0.00 -0.23 0.00 0.00 178.00 177.92 1s6l h ALA 105 N 1.63 0.79 0.23 -0.56 0.00 -1.80 -3.31 119.26 116.23 1s6l h ALA 105 Ca -0.00 -0.31 -0.33 0.00 0.00 0.00 0.00 54.91 54.27 1s6l h ALA 105 Cb 0.88 -0.05 0.03 0.00 0.00 0.00 0.00 17.79 18.64 1s6l h ALA 105 CO 0.05 0.42 -1.51 1.25 0.00 0.00 0.00 179.25 179.47 1s6l h LEU 106 N 0.00 0.75 -0.40 0.00 5.85 -1.88 -3.35 115.31 116.28 1s6l h LEU 106 Ca -0.00 -0.93 0.07 0.00 0.84 0.00 0.00 57.88 57.86 1s6l h LEU 106 Cb 1.23 -0.24 -0.06 0.00 0.37 0.00 0.00 40.66 41.96 1s6l h LEU 106 CO 0.04 1.71 0.05 -0.29 -0.34 0.00 0.00 178.44 179.61 1s6l h ILE 107 N 0.08 0.75 0.00 4.05 6.09 -1.59 -3.47 117.51 123.42 1s6l h ILE 107 Ca -0.28 -0.06 0.00 0.00 -1.37 0.00 0.00 64.86 63.16 1s6l h ILE 107 Cb 2.10 0.57 0.00 0.00 0.47 0.00 0.00 36.82 39.96 1s6l h ILE 107 CO 0.23 0.03 0.00 0.61 -3.07 0.00 0.00 178.15 175.95 1s6l n GLY 108 N -1.26 0.97 3.52 8.18 0.00 -1.25 -5.08 105.19 110.29 1s6l n GLY 108 Ca 0.03 -0.15 -0.11 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.36 1.65 0.50 1.61 1.81 -1.26 -5.02 118.95 117.89 1s6l s ARG 109 Ca 0.00 -1.46 -0.18 0.00 -1.72 0.00 0.00 55.73 52.37 1s6l s ARG 109 Cb 0.00 0.45 -0.08 0.00 -0.45 0.00 0.00 34.95 34.87 1s6l s ARG 109 CO 0.00 -0.68 1.00 0.99 -0.68 0.00 0.00 175.30 175.93 1s6l s THR 110 N -3.65 4.27 -0.18 0.02 2.01 -1.26 -4.19 115.64 112.64 1s6l s THR 110 Ca 0.27 1.21 -0.04 0.00 0.31 0.00 0.00 61.69 63.43 1s6l s THR 110 Cb 0.00 -3.59 0.06 0.00 0.01 0.00 0.00 72.50 68.98 1s6l s THR 110 CO 0.13 -0.50 0.06 0.00 -0.69 0.00 0.00 174.62 173.62 1s6l s ALA 111 N -2.40 0.73 -0.23 7.40 0.00 0.34 -4.03 121.76 123.57 1s6l s ALA 111 Ca 0.62 -0.52 -0.26 0.00 0.00 0.00 0.00 51.96 51.80 1s6l s ALA 111 Cb -0.12 -1.11 -0.00 0.00 0.00 0.00 0.00 23.12 21.89 1s6l s ALA 111 CO 0.26 -1.18 0.88 1.03 0.00 0.00 0.00 175.76 176.75 1s6l s ARG 112 N 1.99 4.22 -0.14 0.00 0.52 0.35 0.16 118.95 126.05 1s6l s ARG 112 Ca 0.01 1.05 -0.02 0.00 -0.52 0.00 0.00 55.73 56.25 1s6l s ARG 112 Cb -0.17 -3.63 -0.02 0.00 0.52 0.00 0.00 34.95 31.65 1s6l s ARG 112 CO -0.09 -0.51 -0.09 0.08 0.02 0.00 0.00 175.30 174.71 1s6l s VAL 113 N 2.82 3.43 -0.04 3.52 1.01 0.32 0.12 120.40 131.57 1s6l s VAL 113 Ca 0.38 -0.53 0.06 0.00 0.00 0.00 0.00 61.98 61.88 1s6l s VAL 113 Cb -0.15 -2.47 -0.01 0.00 0.00 0.00 0.00 36.38 33.75 1s6l s VAL 113 CO 0.08 0.52 -0.22 -0.44 0.00 0.00 0.00 175.10 175.03 1s6l s SER 114 N 0.28 2.69 0.25 3.32 0.01 0.10 0.14 113.70 120.49 1s6l s SER 114 Ca -0.07 -0.44 -0.00 0.00 1.31 0.00 0.00 55.95 56.75 1s6l s SER 114 Cb -0.15 -0.65 -0.03 0.00 0.21 0.00 0.00 66.02 65.40 1s6l s SER 114 CO 0.04 0.22 0.24 -0.44 0.41 0.00 0.00 173.24 173.71 1s6l s SER 115 N -0.17 0.59 -0.02 2.44 0.01 0.46 -1.34 113.70 115.67 1s6l s SER 115 Ca -0.01 -1.45 0.02 0.00 1.31 0.00 0.00 55.95 55.82 1s6l s SER 115 Cb -0.12 0.47 0.00 0.00 0.21 0.00 0.00 66.02 66.59 1s6l s SER 115 CO 0.02 -0.97 -0.06 -1.00 0.41 0.00 0.00 173.24 171.64 1s6l s HIS 116 N -3.86 0.66 0.24 2.43 3.76 -1.26 0.14 115.29 117.41 1s6l s HIS 116 Ca 0.37 -0.14 -0.30 0.00 -0.15 0.00 0.00 55.06 54.83 1s6l s HIS 116 Cb 0.04 -0.49 -0.10 0.00 1.11 0.00 0.00 32.58 33.15 1s6l s HIS 116 CO 0.17 -0.07 1.47 0.00 -0.85 0.00 0.00 174.74 175.46 1s6l n ALA 118 N 2.51 1.93 0.01 0.00 0.00 -1.25 -1.99 120.51 121.72 1s6l n ALA 118 Ca 0.08 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1s6l n ALA 118 Cb 0.40 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.57 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 -1.29 3.00 0.07 0.00 0.00 -1.26 -4.82 120.51 116.21 1s6l n ALA 119 Ca 0.08 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.44 1s6l n ALA 119 Cb 0.14 0.31 0.03 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 1.43 -1.83 0.00 2.02 -1.94 -3.47 112.91 109.13 1s6l h THR 120 Ca 0.00 -2.33 -0.14 0.00 0.77 0.00 0.00 66.41 64.71 1s6l h THR 120 Cb 0.60 2.26 0.02 0.00 -1.74 0.00 0.00 68.15 69.29 1s6l h THR 120 CO 0.00 0.69 -0.21 0.61 0.37 0.00 0.00 175.52 176.98 1s6l n GLY 121 N 0.65 0.26 3.96 2.16 0.00 -0.84 -4.97 105.19 106.41 1s6l n GLY 121 Ca -0.04 -0.47 -0.21 0.00 0.00 0.00 0.00 46.02 45.30 1s6l n GLY 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s6l s ALA 122 N -2.73 3.93 -0.49 4.61 0.00 -1.26 -4.79 121.76 121.02 1s6l s ALA 122 Ca 0.10 -1.26 -0.23 0.00 0.00 0.00 0.00 51.96 50.57 1s6l s ALA 122 Cb -0.04 -1.70 0.03 0.00 0.00 0.00 0.00 23.12 21.41 1s6l s ALA 122 CO 0.12 0.22 0.85 -1.25 0.00 0.00 0.00 175.76 175.70 1s6l s PRO 123 N -3.98 3.37 -0.01 0.00 0.05 -1.26 -1.65 135.00 131.51 1s6l s PRO 123 Ca 0.35 -0.20 -0.01 0.00 0.05 0.00 0.00 61.00 61.18 1s6l s PRO 123 Cb -0.09 -3.99 -0.04 0.00 0.05 0.00 0.00 34.50 30.43 1s6l s PRO 123 CO 0.29 -1.28 0.08 0.14 0.05 0.00 0.00 177.00 176.28 1s6l s VAL 124 N 3.53 4.72 -0.07 -0.36 -7.23 0.37 -4.68 120.40 116.68 1s6l s VAL 124 Ca 0.30 -0.38 -0.10 0.00 -1.81 0.00 0.00 61.98 59.99 1s6l s VAL 124 Cb -0.13 -3.15 0.02 0.00 0.56 0.00 0.00 36.38 33.69 1s6l s VAL 124 CO 0.21 0.37 0.25 -0.94 -0.31 0.00 0.00 175.10 174.68 1s6l s SER 125 N -1.67 -0.22 0.05 4.85 1.04 -0.12 0.17 113.70 117.81 1s6l s SER 125 Ca 0.22 0.36 0.02 0.00 0.48 0.00 0.00 55.95 57.03 1s6l s SER 125 Cb -0.12 0.45 -0.03 0.00 0.10 0.00 0.00 66.02 66.43 1s6l s SER 125 CO 0.13 -0.18 -0.07 -0.76 0.98 0.00 0.00 173.24 173.34 1s6l s LEU 126 N -0.28 2.31 -0.28 2.42 1.02 0.36 -0.97 118.68 123.27 1s6l s LEU 126 Ca -0.04 -0.65 -0.04 0.00 0.02 0.00 0.00 54.13 53.42 1s6l s LEU 126 Cb -0.03 -0.10 0.02 0.00 0.02 0.00 0.00 46.19 46.11 1s6l s LEU 126 CO 0.01 -0.28 0.01 -0.89 0.02 0.00 0.00 176.35 175.22 1s6l s THR 127 N -1.94 3.35 -0.39 5.49 2.01 -0.45 0.12 115.64 123.83 1s6l s THR 127 Ca -0.06 -0.96 -0.17 0.00 0.31 0.00 0.00 61.69 60.81 1s6l s THR 127 Cb -0.06 -2.75 0.01 0.00 0.01 0.00 0.00 72.50 69.70 1s6l s THR 127 CO -0.01 0.09 0.43 -0.69 -0.69 0.00 0.00 174.62 173.75 1s6l s VAL 128 N 1.38 5.09 0.37 3.82 1.01 0.41 -2.28 120.40 130.20 1s6l s VAL 128 Ca 0.00 -0.15 0.08 0.00 0.00 0.00 0.00 61.98 61.90 1s6l s VAL 128 Cb -0.17 -3.98 -0.02 0.00 0.00 0.00 0.00 36.38 32.20 1s6l s VAL 128 CO -0.01 -0.32 0.33 -0.55 0.00 0.00 0.00 175.10 174.55 1s6l s SER 129 N 1.79 5.18 0.40 3.32 0.15 0.24 0.13 113.70 124.91 1s6l s SER 129 Ca 0.13 -0.60 0.28 0.00 0.70 0.00 0.00 55.95 56.46 1s6l s SER 129 Cb -0.17 -0.79 1.37 0.00 -1.71 0.00 0.00 66.02 64.73 1s6l s SER 129 CO 0.13 -0.49 1.86 -0.65 1.20 0.00 0.00 173.24 175.30 1s6l h PRO 130 N 1.15 0.00 0.00 5.44 0.11 -1.73 -3.13 132.00 133.84 1s6l h PRO 130 Ca -0.43 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.64 1s6l h PRO 130 Cb 1.26 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.36 1s6l h PRO 130 CO 0.58 0.00 -1.20 0.45 -0.21 0.00 0.00 178.00 177.62 1s6l n SER 131 N -2.54 4.18 0.00 -2.05 2.88 -1.26 -4.50 113.62 110.33 1s6l n SER 131 Ca -0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1s6l n SER 131 Cb 0.15 0.84 0.00 0.00 -0.75 0.00 0.00 64.21 64.44 1s6l n SER 131 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 1s6l n GLU 132 N -1.90 -0.25 -3.54 -1.46 0.28 -1.18 -5.16 120.64 107.41 1s6l n GLU 132 Ca -0.03 0.00 -0.23 0.00 -0.16 0.00 0.00 57.16 56.74 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 5.12 0.00 3.84 -4.36 -1.26 0.79 121.20 122.33 1s6l s ILE 133 Ca 0.00 -0.62 0.00 0.00 -0.26 0.00 0.00 60.65 59.77 1s6l s ILE 133 Cb 0.00 -3.85 0.00 0.00 1.25 0.00 0.00 42.46 39.86 1s6l s ILE 133 CO 0.00 -0.48 0.76 1.67 0.24 0.00 0.00 174.94 177.12 1s6l n GLN 134 N -1.68 0.00 -2.81 0.37 7.27 -0.97 -4.89 117.38 114.67 1s6l n GLN 134 Ca -0.06 -0.61 -0.00 0.00 0.07 0.00 0.00 57.00 56.40 1s6l n GLN 134 Cb 0.56 -0.32 0.01 0.00 2.41 0.00 0.00 30.24 32.90 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 -3.92 -0.25 1.69 0.00 -1.26 -4.89 121.76 113.13 1s6l s ALA 135 Ca 0.00 0.79 -0.08 0.00 0.00 0.00 0.00 51.96 52.67 1s6l s ALA 135 Cb 0.00 -2.94 -0.03 0.00 0.00 0.00 0.00 23.12 20.15 1s6l s ALA 135 CO 0.00 -2.44 0.09 0.08 0.00 0.00 0.00 175.76 173.49 1s6l s VAL 136 N 1.60 4.49 -0.10 0.00 1.01 -1.26 -1.34 120.40 124.81 1s6l s VAL 136 Ca 0.18 -0.11 -0.04 0.00 0.00 0.00 0.00 61.98 62.01 1s6l s VAL 136 Cb 0.04 -3.10 0.05 0.00 0.00 0.00 0.00 36.38 33.37 1s6l s VAL 136 CO -0.12 0.34 0.21 -1.61 0.00 0.00 0.00 175.10 173.92 1s6l s GLU 137 N 1.54 0.13 0.85 2.72 0.41 -0.14 -3.86 118.70 120.35 1s6l s GLU 137 Ca 0.06 0.54 -0.12 0.00 -0.41 0.00 0.00 54.97 55.04 1s6l s GLU 137 Cb -0.15 -0.15 0.10 0.00 -1.78 0.00 0.00 34.13 32.15 1s6l s GLU 137 CO 0.05 -0.22 1.10 -1.25 -0.49 0.00 0.00 175.26 174.45 1s6l s PRO 138 N 1.66 1.68 -1.14 0.39 0.04 -1.26 -0.94 135.00 135.43 1s6l s PRO 138 Ca -0.05 0.66 -0.22 0.00 0.04 0.00 0.00 61.00 61.43 1s6l s PRO 138 Cb -0.11 -1.87 -0.07 0.00 0.04 0.00 0.00 34.50 32.48 1s6l s PRO 138 CO -0.07 -1.90 1.91 0.00 0.04 0.00 0.00 177.00 176.97 1s6l n ALA 139 N -3.63 2.45 0.00 8.56 0.00 -1.25 -2.37 120.51 124.27 1s6l n ALA 139 Ca 0.07 -3.22 0.00 0.00 0.00 0.00 0.00 53.44 50.28 1s6l n ALA 139 Cb 0.56 -3.53 0.00 0.00 0.00 0.00 0.00 19.45 16.48 1s6l n ALA 139 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1s6l n GLY 140 N 5.46 -0.05 3.66 0.00 0.00 -1.26 -5.15 105.19 107.84 1s6l n GLY 140 Ca 0.47 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.18 1s6l n GLY 140 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1s6l s MET 141 N 0.00 0.89 0.12 1.61 0.00 -1.00 -3.87 119.30 117.05 1s6l s MET 141 Ca 0.00 1.46 0.07 0.00 0.00 0.00 0.00 55.69 57.22 1s6l s MET 141 Cb 0.00 -1.72 -0.04 0.00 0.00 0.00 0.00 34.83 33.07 1s6l s MET 141 CO 0.00 -2.69 -0.18 0.00 0.00 0.00 0.00 175.02 172.15 1s6l s ALA 142 N -2.65 1.68 0.07 3.16 0.00 0.33 -3.77 121.76 120.59 1s6l s ALA 142 Ca 0.67 -1.27 0.07 0.00 0.00 0.00 0.00 51.96 51.42 1s6l s ALA 142 Cb -0.23 -0.17 -0.04 0.00 0.00 0.00 0.00 23.12 22.69 1s6l s ALA 142 CO 0.58 0.25 -0.12 0.08 0.00 0.00 0.00 175.76 176.55 1s6l s VAL 143 N -1.59 3.21 -0.05 0.00 1.01 0.48 0.21 120.40 123.66 1s6l s VAL 143 Ca 0.08 -1.19 0.05 0.00 0.00 0.00 0.00 61.98 60.92 1s6l s VAL 143 Cb -0.08 -2.45 -0.02 0.00 0.00 0.00 0.00 36.38 33.84 1s6l s VAL 143 CO 0.04 0.22 -0.20 -0.94 0.00 0.00 0.00 175.10 174.22 1s6l s SER 144 N -1.87 3.51 0.30 3.32 1.04 0.28 0.56 113.70 120.84 1s6l s SER 144 Ca 0.19 -0.37 0.00 0.00 0.48 0.00 0.00 55.95 56.25 1s6l s SER 144 Cb -0.11 -0.80 -0.02 0.00 0.10 0.00 0.00 66.02 65.19 1s6l s SER 144 CO 0.10 0.29 0.34 -0.22 0.98 0.00 0.00 173.24 174.73 1s6l s LEU 145 N -0.42 1.22 -0.27 2.42 0.20 0.73 -2.57 118.68 120.00 1s6l s LEU 145 Ca 0.04 -1.50 0.01 0.00 0.69 0.00 0.00 54.13 53.37 1s6l s LEU 145 Cb -0.12 0.97 0.07 0.00 -0.43 0.00 0.00 46.19 46.69 1s6l s LEU 145 CO 0.02 -1.11 -0.02 0.54 -0.29 0.00 0.00 176.35 175.49 1s6l s VAL 146 N -3.50 1.61 0.10 1.68 0.11 -1.26 0.67 120.40 119.81 1s6l s VAL 146 Ca 0.35 -1.48 -0.25 0.00 -2.93 0.00 0.00 61.98 57.67 1s6l s VAL 146 Cb 0.02 -1.97 -0.11 0.00 -1.53 0.00 0.00 36.38 32.79 1s6l s VAL 146 CO 0.20 -0.27 1.69 0.25 -3.33 0.00 0.00 175.10 173.64 1s6l h LEU 147 N 7.90 -0.36-10.02 2.54 7.12 -1.92 -3.44 115.31 117.13 1s6l h LEU 147 Ca -0.15 0.04 -0.52 0.00 0.13 0.00 0.00 57.88 57.38 1s6l h LEU 147 Cb 1.05 0.13 0.21 0.00 -0.53 0.00 0.00 40.66 41.52 1s6l h LEU 147 CO 0.44 -0.20 -0.21 -2.65 -0.13 0.00 0.00 178.44 175.70 1s6l n PRO 148 N -5.26 -0.56 -1.45 5.25 -0.02 -1.26 -4.78 135.00 126.92 1s6l n PRO 148 Ca -0.07 -0.11 0.00 0.00 -2.02 0.00 0.00 63.50 61.30 1s6l n PRO 148 Cb 0.18 -2.10 0.00 0.00 -0.02 0.00 0.00 33.50 31.55 1s6l n PRO 148 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1s6l n GLN 149 N -3.07 -3.93 -0.03 -0.52 3.00 -1.26 -4.85 117.38 106.71 1s6l n GLN 149 Ca 0.09 3.01 0.01 0.00 -0.01 0.00 0.00 57.00 60.09 1s6l n GLN 149 Cb 0.53 -3.63 -0.10 0.00 0.00 0.00 0.00 30.24 27.04 1s6l n GLN 149 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.06 175.15 1s6l n GLU 150 N -1.98 1.13 -0.01 -1.09 4.07 -1.26 -4.64 120.64 116.86 1s6l n GLU 150 Ca 0.00 -0.07 0.02 0.00 -0.06 0.00 0.00 57.16 57.05 1s6l n GLU 150 Cb 0.30 -1.31 -0.06 0.00 -0.06 0.00 0.00 31.44 30.30 1s6l n GLU 150 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1s6l n ALA 151 N -2.18 2.18 -3.45 4.31 0.00 -1.26 -5.04 120.51 115.07 1s6l n ALA 151 Ca -0.10 -0.28 -0.19 0.00 0.00 0.00 0.00 53.44 52.87 1s6l n ALA 151 Cb 0.59 -0.19 0.06 0.00 0.00 0.00 0.00 19.45 19.92 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 -1.91 -2.30 -3.93 0.00 0.00 -1.26 -4.55 120.51 106.55 1s6l n ALA 152 Ca -0.04 -0.02 -0.29 0.00 0.00 0.00 0.00 53.44 53.08 1s6l n ALA 152 Cb 0.35 -4.05 -0.16 0.00 0.00 0.00 0.00 19.45 15.59 1s6l n ALA 152 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1s6l s ASP 153 N -3.81 2.90 0.00 0.00 -1.08 -1.23 -1.98 116.67 111.47 1s6l s ASP 153 Ca 0.27 -0.67 0.00 0.00 -0.52 0.00 0.00 52.55 51.63 1s6l s ASP 153 Cb -0.05 -1.00 0.00 0.00 -1.46 0.00 0.00 42.92 40.40 1s6l s ASP 153 CO 0.77 -0.16 0.00 1.33 0.52 0.00 0.00 175.17 177.63 1s6l n VAL 154 N 4.83 0.00 0.02 1.11 0.24 -1.12 -5.04 118.33 118.36 1s6l n VAL 154 Ca -0.13 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.17 1s6l n VAL 154 Cb 0.48 -0.02 0.00 0.00 -1.47 0.00 0.00 33.84 32.83 1s6l n VAL 154 CO 0.00 0.00 0.00 -1.14 -2.14 0.00 0.00 176.83 173.55 1s6l n ARG 155 N -2.31 0.00 -0.02 7.34 3.00 -1.26 -4.99 116.66 118.42 1s6l n ARG 155 Ca 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 57.85 57.72 1s6l n ARG 155 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 32.46 32.37 1s6l n ARG 155 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.63 178.00 1s6l h GLN 156 N 0.00 0.10 -5.51 -0.14 4.15 -1.98 -3.43 115.11 108.30 1s6l h GLN 156 Ca 0.00 -0.05 -0.64 0.00 0.77 0.00 0.00 58.65 58.73 1s6l h GLN 156 Cb 0.00 -0.00 -0.15 0.00 0.21 0.00 0.00 27.48 27.54 1s6l h GLN 156 CO 0.00 0.50 -0.58 -1.12 -1.93 0.00 0.00 178.83 175.71 1s6l s SER 157 N -5.75 5.56 0.02 -0.69 0.01 -1.26 -4.97 113.70 106.62 1s6l s SER 157 Ca -0.15 0.13 0.00 0.00 1.31 0.00 0.00 55.95 57.24 1s6l s SER 157 Cb 0.03 -1.84 0.00 0.00 0.21 0.00 0.00 66.02 64.42 1s6l s SER 157 CO 0.69 0.26 0.00 0.33 0.41 0.00 0.00 173.24 174.93 1s6l n PHE 158 N 2.96 -0.11 0.01 2.43 7.35 -0.84 -2.81 117.46 126.46 1s6l n PHE 158 Ca -0.18 0.02 -0.19 0.00 -0.76 0.00 0.00 57.45 56.35 1s6l n PHE 158 Cb 0.53 0.14 -0.14 0.00 0.35 0.00 0.00 39.48 40.36 1s6l n PHE 158 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1s6l n HIS 161 N 0.00 -1.13 -4.25 0.00 -0.00 -1.26 -4.72 115.22 103.86 1s6l n HIS 161 Ca 0.00 0.40 -0.34 0.00 0.46 0.00 0.00 57.72 58.24 1s6l n HIS 161 Cb 0.00 -3.20 -0.14 0.00 -0.12 0.00 0.00 29.99 26.53 1s6l n HIS 161 CO 0.00 0.00 0.00 0.08 0.46 0.00 0.00 176.34 176.88 1s6l s VAL 162 N -3.16 3.35 0.35 3.57 1.01 -1.26 -4.67 120.40 119.59 1s6l s VAL 162 Ca 0.19 -0.52 0.09 0.00 0.00 0.00 0.00 61.98 61.74 1s6l s VAL 162 Cb -0.03 -2.48 -0.07 0.00 0.00 0.00 0.00 36.38 33.81 1s6l s VAL 162 CO 0.33 0.47 -0.07 -1.00 0.00 0.00 0.00 175.10 174.83 1s6l s HIS 163 N 0.95 2.39 -0.03 5.22 3.76 -1.06 -0.11 115.29 126.41 1s6l s HIS 163 Ca -0.01 -0.55 0.05 0.00 -0.15 0.00 0.00 55.06 54.40 1s6l s HIS 163 Cb -0.15 -1.44 -0.03 0.00 1.11 0.00 0.00 32.58 32.08 1s6l s HIS 163 CO 0.00 0.53 -0.17 -0.06 -0.85 0.00 0.00 174.74 174.19 1s6l s PHE 164 N -2.66 2.61 -0.05 1.40 0.08 -1.26 0.10 117.98 118.20 1s6l s PHE 164 Ca 0.33 -0.22 0.05 0.00 0.12 0.00 0.00 56.93 57.21 1s6l s PHE 164 Cb 0.04 -1.58 -0.02 0.00 -0.57 0.00 0.00 43.02 40.89 1s6l s PHE 164 CO 0.16 0.15 -0.21 -0.06 -0.10 0.00 0.00 175.22 175.17 1s6l s PHE 165 N -0.73 2.52 0.59 0.36 0.40 0.56 -3.75 117.98 117.93 1s6l s PHE 165 Ca 0.12 -0.44 0.30 0.00 -0.60 0.00 0.00 56.93 56.31 1s6l s PHE 165 Cb -0.10 -1.60 1.25 0.00 0.51 0.00 0.00 43.02 43.08 1s6l s PHE 165 CO 0.01 -0.03 1.59 0.00 0.70 0.00 0.00 175.22 177.49 1s6l h ALA 166 N 5.69 2.75 -2.27 5.36 0.00 -1.92 0.95 119.26 129.81 1s6l h ALA 166 Ca -0.40 -0.03 0.19 0.00 0.00 0.00 0.00 54.91 54.67 1s6l h ALA 166 Cb 1.15 0.07 -0.08 0.00 0.00 0.00 0.00 17.79 18.93 1s6l h ALA 166 CO 0.49 -1.39 0.52 -1.54 0.00 0.00 0.00 179.25 177.33 1s6l s SER 167 N -4.28 -0.15 0.27 0.00 1.04 -1.26 -3.51 113.70 105.81 1s6l s SER 167 Ca -0.04 -0.41 0.03 0.00 0.48 0.00 0.00 55.95 56.01 1s6l s SER 167 Cb 0.16 0.46 0.39 0.00 0.10 0.00 0.00 66.02 67.13 1s6l s SER 167 CO 0.56 -0.86 1.69 0.58 0.98 0.00 0.00 173.24 176.19 1s6l h VAL 168 N 2.00 1.28 -0.17 5.02 2.07 -1.84 0.82 116.25 125.43 1s6l h VAL 168 Ca -0.25 -1.37 -0.19 0.00 0.82 0.00 0.00 66.70 65.71 1s6l h VAL 168 Cb 1.23 1.46 -0.00 0.00 -1.52 0.00 0.00 31.29 32.45 1s6l h VAL 168 CO 0.26 0.43 -0.65 -0.65 0.02 0.00 0.00 177.57 176.98 1s6l h PRO 169 N 0.38 0.63 0.03 1.57 0.11 -1.95 1.00 132.00 133.77 1s6l h PRO 169 Ca 0.05 -0.45 -0.26 0.00 0.11 0.00 0.00 66.00 65.44 1s6l h PRO 169 Cb 0.74 0.07 0.02 0.00 0.11 0.00 0.00 31.00 31.95 1s6l h PRO 169 CO 0.06 1.07 -1.05 1.15 -0.21 0.00 0.00 178.00 179.02 1s6l h THR 170 N 0.46 1.29 -0.32 -1.15 2.02 -1.92 5.50 112.91 118.78 1s6l h THR 170 Ca -0.02 -2.28 -0.01 0.00 0.77 0.00 0.00 66.41 64.88 1s6l h THR 170 Cb 1.23 2.47 -0.02 0.00 -1.74 0.00 0.00 68.15 70.10 1s6l h THR 170 CO 0.13 0.70 0.17 0.00 0.37 0.00 0.00 175.52 176.88 1s6l h ALA 171 N 0.36 0.42 0.00 6.16 0.00 0.74 0.91 119.26 127.85 1s6l h ALA 171 Ca -0.14 -0.08 -0.15 0.00 0.00 0.00 0.00 54.91 54.54 1s6l h ALA 171 Cb 1.71 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 19.35 1s6l h ALA 171 CO 0.20 -0.05 -0.71 0.93 0.00 0.00 0.00 179.25 179.63 1s6l h GLU 172 N 0.40 0.00 0.30 0.00 4.39 0.11 0.97 114.58 120.75 1s6l h GLU 172 Ca 0.11 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.80 1s6l h GLU 172 Cb 0.08 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.73 1s6l h GLU 172 CO -0.02 0.71 -0.14 0.22 -1.16 0.00 0.00 179.01 178.62 1s6l h ASP 173 N 0.00 -0.34 0.33 1.42 3.58 1.18 0.65 116.42 123.24 1s6l h ASP 173 Ca -0.01 -0.20 -0.05 0.00 0.42 0.00 0.00 57.03 57.19 1s6l h ASP 173 Cb 1.50 0.09 -0.01 0.00 1.72 0.00 0.00 39.33 42.63 1s6l h ASP 173 CO 0.09 0.10 -0.26 -0.25 -2.88 0.00 0.00 179.24 176.05 1s6l h TRP 174 N -0.89 0.00 -0.66 0.28 2.91 0.72 -1.87 115.95 116.44 1s6l h TRP 174 Ca -0.04 0.00 -0.07 0.00 1.13 0.00 0.00 58.89 59.91 1s6l h TRP 174 Cb 0.52 0.00 -0.03 0.00 -0.51 0.00 0.00 29.16 29.14 1s6l h TRP 174 CO 0.04 0.26 0.15 0.00 -1.03 0.00 0.00 178.44 177.86 1s6l h ALA 175 N 1.74 1.02 -0.68 2.65 0.00 -0.66 -2.25 119.26 121.09 1s6l h ALA 175 Ca -0.00 -0.24 0.12 0.00 0.00 0.00 0.00 54.91 54.79 1s6l h ALA 175 Cb 0.49 -0.25 -0.09 0.00 0.00 0.00 0.00 17.79 17.94 1s6l h ALA 175 CO 0.03 0.64 0.24 1.03 0.00 0.00 0.00 179.25 181.19 1s6l h SER 176 N 0.99 0.19 -0.52 0.00 0.87 0.01 0.96 113.55 116.05 1s6l h SER 176 Ca 0.21 0.10 -0.09 0.00 -1.23 0.00 0.00 61.79 60.78 1s6l h SER 176 Cb 0.37 0.10 -0.06 0.00 -0.44 0.00 0.00 62.40 62.37 1s6l h SER 176 CO 0.00 0.08 0.12 0.29 -0.53 0.00 0.00 176.83 176.79 1s6l n LYS 177 N -5.04 3.55 -2.26 2.24 4.76 -1.03 -4.05 118.16 116.33 1s6l n LYS 177 Ca 0.12 -2.41 -0.03 0.00 -2.87 0.00 0.00 58.31 53.12 1s6l n LYS 177 Cb 0.36 -2.05 0.08 0.00 -1.84 0.00 0.00 35.03 31.58 1s6l n LYS 177 CO 0.00 0.00 0.00 1.58 -1.37 0.00 0.00 177.40 177.61 1s6l n HIS 178 N 0.19 -1.56 0.63 2.13 -0.00 0.90 -4.93 115.22 112.58 1s6l n HIS 178 Ca 0.27 -1.39 0.07 0.00 0.46 0.00 0.00 57.72 57.13 1s6l n HIS 178 Cb 1.08 1.30 -0.09 0.00 -0.12 0.00 0.00 29.99 32.17 1s6l n HIS 178 CO 0.00 0.00 0.00 1.04 0.46 0.00 0.00 176.34 177.84 1s6l n GLN 179 N -1.17 1.95 -0.71 1.57 1.13 0.30 -4.42 117.38 116.03 1s6l n GLN 179 Ca -0.19 -0.01 -0.05 0.00 -1.94 0.00 0.00 57.00 54.80 1s6l n GLN 179 Cb 0.83 -1.21 0.20 0.00 0.11 0.00 0.00 30.24 30.17 1s6l n GLN 179 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1s6l n GLY 180 N 1.38 3.04 2.35 1.08 0.00 -1.26 -4.14 105.19 107.64 1s6l n GLY 180 Ca 0.02 -0.67 -0.32 0.00 0.00 0.00 0.00 46.02 45.05 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 -0.05 7.41 -2.25 0.99 4.77 -1.26 -4.59 117.00 122.02 1s6l n LEU 181 Ca 0.29 -4.27 -0.21 0.00 -0.03 0.00 0.00 56.01 51.79 1s6l n LEU 181 Cb 1.08 -1.40 -0.02 0.00 -2.33 0.00 0.00 43.42 40.75 1s6l n LEU 181 CO 0.31 1.93 -0.26 -0.62 -1.33 0.00 0.00 177.39 177.42 1s6l n GLU 182 N 2.16 -1.62 0.00 3.23 1.02 -1.26 -4.23 120.64 119.93 1s6l n GLU 182 Ca 0.60 1.04 0.00 0.00 -0.02 0.00 0.00 57.16 58.78 1s6l n GLU 182 Cb 0.43 -5.65 0.00 0.00 -0.02 0.00 0.00 31.44 26.20 1s6l n GLU 182 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1s6l n GLY 183 N -0.94 1.09 1.60 0.62 0.00 -1.26 -4.76 105.19 101.55 1s6l n GLY 183 Ca -0.24 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.15 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 -5.54 -3.93 0.99 0.00 -1.26 -4.50 117.00 102.77 1s6l n LEU 184 Ca 0.00 2.83 -0.10 0.00 0.00 0.00 0.00 56.01 58.74 1s6l n LEU 184 Cb 0.00 -2.60 -0.10 0.00 0.00 0.00 0.00 43.42 40.72 1s6l n LEU 184 CO 0.00 -0.47 -0.27 0.00 0.00 0.00 0.00 177.39 176.65 1s6l s ALA 185 N -2.00 -0.10 0.24 1.96 0.00 0.21 -4.88 121.76 117.20 1s6l s ALA 185 Ca 0.00 -0.37 0.06 0.00 0.00 0.00 0.00 51.96 51.64 1s6l s ALA 185 Cb 0.00 0.13 -0.03 0.00 0.00 0.00 0.00 23.12 23.22 1s6l s ALA 185 CO 0.00 -0.19 0.29 0.42 0.00 0.00 0.00 175.76 176.29 1s6l s ILE 186 N -1.45 4.92 0.17 0.00 -1.09 -1.26 -0.19 121.20 122.30 1s6l s ILE 186 Ca -0.15 -1.16 -0.23 0.00 -2.23 0.00 0.00 60.65 56.87 1s6l s ILE 186 Cb -0.09 -3.67 0.06 0.00 -1.58 0.00 0.00 42.46 37.18 1s6l s ILE 186 CO 0.00 -0.34 0.68 0.68 -1.23 0.00 0.00 174.94 174.73 1s6l s VAL 187 N -2.04 0.00 -0.16 2.92 -7.23 0.19 -4.92 120.40 109.16 1s6l s VAL 187 Ca 0.34 -0.28 -0.21 0.00 -1.81 0.00 0.00 61.98 60.02 1s6l s VAL 187 Cb -0.09 -1.29 -0.03 0.00 0.56 0.00 0.00 36.38 35.53 1s6l s VAL 187 CO 0.27 0.00 0.63 -0.44 -0.31 0.00 0.00 175.10 175.26 1s6l s SER 188 N -2.77 6.76 0.65 4.85 0.01 -1.26 0.18 113.70 122.12 1s6l s SER 188 Ca 0.04 0.92 0.18 0.00 1.31 0.00 0.00 55.95 58.40 1s6l s SER 188 Cb -0.02 -2.36 0.92 0.00 0.21 0.00 0.00 66.02 64.77 1s6l s SER 188 CO -0.07 -0.21 1.51 1.62 0.41 0.00 0.00 173.24 176.50 1s6l h VAL 189 N 5.03 0.03 -0.29 3.43 3.04 -1.87 1.62 116.25 127.24 1s6l h VAL 189 Ca -0.35 0.00 -0.10 0.00 -1.01 0.00 0.00 66.70 65.24 1s6l h VAL 189 Cb 1.16 0.35 -0.01 0.00 -2.01 0.00 0.00 31.29 30.78 1s6l h VAL 189 CO 0.77 0.00 -0.23 -0.74 -1.01 0.00 0.00 177.57 176.36 1s6l h HIS 190 N 0.00 0.78 0.00 3.17 6.17 -1.91 -1.53 115.15 121.84 1s6l h HIS 190 Ca 0.06 -0.22 -0.10 0.00 0.71 0.00 0.00 60.37 60.81 1s6l h HIS 190 Cb 1.41 -0.17 -0.02 0.00 2.52 0.00 0.00 27.41 31.15 1s6l h HIS 190 CO 0.00 0.94 -0.67 0.93 0.71 0.00 0.00 177.93 179.84 1s6l h GLU 191 N 0.40 0.00 0.00 5.26 5.08 0.17 -3.19 114.58 122.30 1s6l h GLU 191 Ca 0.05 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.35 1s6l h GLU 191 Cb 0.78 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.02 1s6l h GLU 191 CO 0.06 0.39 -0.31 0.00 -1.00 0.00 0.00 179.01 178.15 1s6l h ALA 192 N 1.55 1.01 0.03 3.43 0.00 0.04 0.20 119.26 125.53 1s6l h ALA 192 Ca -0.04 -0.29 -0.24 0.00 0.00 0.00 0.00 54.91 54.35 1s6l h ALA 192 Cb 1.37 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.09 1s6l h ALA 192 CO 0.05 0.39 -1.19 0.35 0.00 0.00 0.00 179.25 178.86 1s6l h PHE 193 N 0.00 0.13 0.01 0.00 3.04 -1.31 -0.75 116.94 118.06 1s6l h PHE 193 Ca -0.00 -0.09 -0.24 0.00 3.98 0.00 0.00 57.97 61.61 1s6l h PHE 193 Cb 0.84 -0.01 -0.03 0.00 2.56 0.00 0.00 35.95 39.31 1s6l h PHE 193 CO 0.00 1.08 -1.24 0.78 -2.02 0.00 0.00 178.31 176.91 1s6l h GLY 194 N 2.70 0.02 1.90 2.40 0.00 -1.50 0.25 103.07 108.85 1s6l h GLY 194 Ca -0.09 -0.06 -0.18 0.00 0.00 0.00 0.00 47.33 47.00 1s6l h GLY 194 CO 0.14 0.05 -0.90 1.41 0.00 0.00 0.00 176.54 177.24 1s6l h LEU 195 N 0.01 0.00 0.00 3.11 3.38 -0.68 0.25 115.31 121.38 1s6l h LEU 195 Ca -0.11 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.64 1s6l h LEU 195 Cb 1.86 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 42.57 1s6l h LEU 195 CO 0.12 0.83 -1.26 1.23 0.09 0.00 0.00 178.44 179.44 1s6l h GLY 196 N 3.22 0.00 1.74 0.83 0.00 -1.16 -3.21 103.07 104.49 1s6l h GLY 196 Ca -0.03 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.23 1s6l h GLY 196 CO 0.10 0.00 -0.52 -1.61 0.00 0.00 0.00 176.54 174.51 1s6l h GLN 197 N 0.00 0.00 0.00 4.80 -0.00 -0.47 -3.26 115.11 116.19 1s6l h GLN 197 Ca -0.13 0.00 -0.06 0.00 -0.00 0.00 0.00 58.65 58.46 1s6l h GLN 197 Cb 1.81 0.00 -0.01 0.00 0.00 0.00 0.00 27.48 29.28 1s6l h GLN 197 CO 0.10 0.24 -0.26 0.93 0.00 0.00 0.00 178.83 179.84 1s6l h GLU 198 N 0.00 0.00 -0.72 1.69 5.08 -1.01 -3.26 114.58 116.36 1s6l h GLU 198 Ca -0.02 0.00 0.21 0.00 -1.00 0.00 0.00 59.36 58.55 1s6l h GLU 198 Cb 1.23 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.46 1s6l h GLU 198 CO 0.03 0.26 0.57 0.35 -1.00 0.00 0.00 179.01 179.23 1s6l h PHE 199 N 0.00 0.00 0.21 4.33 3.57 -1.59 0.49 116.94 123.95 1s6l h PHE 199 Ca -0.00 0.00 -0.29 0.00 3.53 0.00 0.00 57.97 61.21 1s6l h PHE 199 Cb 1.15 0.00 0.03 0.00 2.79 0.00 0.00 35.95 39.92 1s6l h PHE 199 CO 0.00 0.00 -1.32 -0.97 -2.23 0.00 0.00 178.31 173.79 1s6l h ASN 200 N 0.00 0.68 -0.16 0.41 -0.73 -1.79 -2.31 115.58 111.69 1s6l h ASN 200 Ca 0.34 -0.93 0.02 0.00 1.87 0.00 0.00 56.30 57.60 1s6l h ASN 200 Cb 1.48 -0.22 -0.02 0.00 0.27 0.00 0.00 38.32 39.83 1s6l h ASN 200 CO -0.00 1.63 0.04 0.03 -0.37 0.00 0.00 177.43 178.75 1s6l h ARG 201 N -0.04 0.10 -0.01 6.67 2.47 -1.10 -1.97 114.38 120.50 1s6l h ARG 201 Ca -0.24 -0.01 -0.14 0.00 -1.26 0.00 0.00 59.98 58.33 1s6l h ARG 201 Cb 1.98 -0.02 -0.02 0.00 -1.65 0.00 0.00 29.97 30.26 1s6l h ARG 201 CO 0.21 0.07 -0.65 0.45 0.56 0.00 0.00 179.97 180.61 1s6l h HIS 202 N 0.11 0.06 0.00 3.04 3.86 -1.41 -2.93 115.15 117.87 1s6l h HIS 202 Ca 0.07 -0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.25 1s6l h HIS 202 Cb 0.05 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 28.52 1s6l h HIS 202 CO -0.12 0.68 0.00 -0.07 0.86 0.00 0.00 177.93 179.28 1s6l h LEU 203 N 0.03 0.00 0.00 2.43 3.38 -0.94 -3.08 115.31 117.12 1s6l h LEU 203 Ca -0.01 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1s6l h LEU 203 Cb 1.16 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.90 1s6l h LEU 203 CO 0.09 0.00 -0.09 0.25 0.09 0.00 0.00 178.44 178.78 1s6l h LEU 204 N 0.00 0.00-10.27 1.67 6.46 -1.18 -3.47 115.31 108.53 1s6l h LEU 204 Ca 0.00 -0.78 -0.52 0.00 -0.12 0.00 0.00 57.88 56.46 1s6l h LEU 204 Cb 0.32 0.00 0.20 0.00 -0.73 0.00 0.00 40.66 40.45 1s6l h LEU 204 CO 0.00 0.94 0.23 0.00 -0.62 0.00 0.00 178.44 178.99 1s6l s GLN 205 N -2.11 1.03 -0.38 1.25 -2.07 -1.17 -5.03 119.66 111.18 1s6l s GLN 205 Ca -0.16 1.58 0.00 0.00 -1.82 0.00 0.00 55.36 54.96 1s6l s GLN 205 Cb -0.02 -1.73 0.19 0.00 -1.09 0.00 0.00 33.01 30.36 1s6l s GLN 205 CO 0.55 -2.63 0.83 0.95 -1.32 0.00 0.00 175.29 173.68 1s6l s THR 206 N -2.61 -0.64 0.09 3.63 -4.23 -1.26 -4.98 115.64 105.64 1s6l s THR 206 Ca 0.67 -0.12 -0.32 0.00 -1.18 0.00 0.00 61.69 60.75 1s6l s THR 206 Cb -0.23 0.00 -0.15 0.00 1.34 0.00 0.00 72.50 73.46 1s6l s THR 206 CO 0.57 0.00 1.61 -0.03 -0.54 0.00 0.00 174.62 176.23 1s6l h MET 207 N 5.98 -0.79 -3.95 3.99 4.05 -1.98 -3.35 114.93 118.88 1s6l h MET 207 Ca 0.01 0.05 -0.75 0.00 -0.28 0.00 0.00 59.70 58.74 1s6l h MET 207 Cb 1.19 0.18 -0.28 0.00 -0.80 0.00 0.00 31.60 31.89 1s6l h MET 207 CO 0.01 -0.53 -0.17 0.45 0.23 0.00 0.00 176.91 176.90 1s6l s SER 208 N -4.51 6.11 -0.01 1.39 0.15 -1.26 -5.03 113.70 110.54 1s6l s SER 208 Ca -0.17 -2.36 -0.00 0.00 0.70 0.00 0.00 55.95 54.12 1s6l s SER 208 Cb 0.05 -2.09 0.02 0.00 -1.71 0.00 0.00 66.02 62.28 1s6l s SER 208 CO 0.63 -0.62 0.02 -0.94 1.20 0.00 0.00 173.24 173.53 1s6l s SER 209 N 2.29 0.03 -1.70 5.45 1.04 -1.26 -4.83 113.70 114.73 1s6l s SER 209 Ca 0.12 0.03 -0.02 0.00 0.48 0.00 0.00 55.95 56.56 1s6l s SER 209 Cb -0.20 -0.03 0.00 0.00 0.10 0.00 0.00 66.02 65.89 1s6l s SER 209 CO -0.04 -0.07 0.21 0.54 0.98 0.00 0.00 173.24 174.86 1s6l n ARG 210 N 3.70 -2.77 0.23 4.02 3.00 -1.26 -4.93 116.66 118.66 1s6l n ARG 210 Ca -0.21 0.97 -0.09 0.00 -0.01 0.00 0.00 57.85 58.51 1s6l n ARG 210 Cb 0.54 -5.69 -0.04 0.00 0.00 0.00 0.00 32.46 27.26 1s6l n ARG 210 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.63 178.78 1s6l h THR 211 N -0.48 0.00 0.00 0.55 2.02 -1.97 -3.56 112.91 109.47 1s6l h THR 211 Ca -0.51 -0.27 0.00 0.00 0.77 0.00 0.00 66.41 66.40 1s6l h THR 211 Cb 1.37 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.78 1s6l h THR 211 CO 0.58 0.00 0.00 -0.81 0.37 0.00 0.00 175.52 175.66