#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 -4.11 -2.85 0.00 5.68 -1.26 -5.07 116.55 108.94 1s6l n ASP 22 Ca 0.00 -0.88 -0.10 0.00 -0.50 0.00 0.00 54.79 53.31 1s6l n ASP 22 Cb 0.00 -0.98 0.02 0.00 -1.14 0.00 0.00 41.12 39.01 1s6l n ASP 22 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1s6l n LEU 23 N 0.00 0.00 -1.41 -2.12 -0.00 -1.26 -5.15 117.00 107.06 1s6l n LEU 23 Ca 0.14 -2.67 0.17 0.00 -0.00 0.00 0.00 56.01 53.65 1s6l n LEU 23 Cb 0.59 3.59 -0.09 0.00 -0.00 0.00 0.00 43.42 47.51 1s6l n LEU 23 CO 0.39 -0.82 -0.63 0.18 -0.00 0.00 0.00 177.39 176.51 1s6l n LEU 24 N 0.00 -1.02 -3.70 1.47 4.32 -1.26 -4.87 117.00 111.95 1s6l n LEU 24 Ca -0.07 2.37 -0.30 0.00 -0.02 0.00 0.00 56.01 57.99 1s6l n LEU 24 Cb 0.60 -3.07 -0.13 0.00 -1.62 0.00 0.00 43.42 39.20 1s6l n LEU 24 CO 0.28 -2.14 -0.26 0.68 -1.22 0.00 0.00 177.39 174.74 1s6l s VAL 25 N -4.24 1.29 0.30 4.08 -7.23 -1.26 -4.99 120.40 108.36 1s6l s VAL 25 Ca 0.00 -2.43 0.06 0.00 -1.81 0.00 0.00 61.98 57.80 1s6l s VAL 25 Cb 0.00 -1.91 0.30 0.00 0.56 0.00 0.00 36.38 35.32 1s6l s VAL 25 CO 0.00 -0.89 1.76 -0.65 -0.31 0.00 0.00 175.10 175.01 1s6l h PRO 26 N 6.84 0.67 0.11 4.82 0.11 -1.96 0.86 132.00 143.45 1s6l h PRO 26 Ca -0.01 -0.04 0.02 0.00 0.11 0.00 0.00 66.00 66.08 1s6l h PRO 26 Cb 0.94 -0.15 -0.05 0.00 0.11 0.00 0.00 31.00 31.85 1s6l h PRO 26 CO 0.47 0.44 -0.40 -0.07 -0.21 0.00 0.00 178.00 178.23 1s6l h LEU 27 N 0.69 -1.19 -0.08 2.35 4.07 -1.95 0.78 115.31 119.97 1s6l h LEU 27 Ca 0.58 0.13 -0.15 0.00 0.08 0.00 0.00 57.88 58.53 1s6l h LEU 27 Cb 0.95 0.45 -0.02 0.00 1.08 0.00 0.00 40.66 43.12 1s6l h LEU 27 CO -0.41 -0.47 -0.69 0.25 -1.08 0.00 0.00 178.44 176.04 1s6l h LEU 28 N -0.63 0.00 0.21 1.67 6.46 -1.83 -2.17 115.31 119.03 1s6l h LEU 28 Ca 0.03 0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.78 1s6l h LEU 28 Cb 0.66 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.59 1s6l h LEU 28 CO -0.24 0.69 -0.10 -0.09 -0.62 0.00 0.00 178.44 178.08 1s6l h ARG 29 N 0.00 -0.28 0.00 1.25 2.43 0.11 0.17 114.38 118.06 1s6l h ARG 29 Ca -0.01 0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 59.13 1s6l h ARG 29 Cb 1.50 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 31.10 1s6l h ARG 29 CO 0.09 0.06 -0.23 1.49 -1.51 0.00 0.00 179.97 179.87 1s6l h GLU 30 N -0.66 0.00 -0.18 0.20 4.57 0.46 -2.49 114.58 116.49 1s6l h GLU 30 Ca -0.03 0.00 -0.17 0.00 -1.18 0.00 0.00 59.36 57.98 1s6l h GLU 30 Cb 0.47 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.06 1s6l h GLU 30 CO 0.05 0.23 -0.60 1.25 -1.18 0.00 0.00 179.01 178.76 1s6l h LEU 31 N 0.00 0.67 -2.00 1.64 5.85 -1.13 -2.98 115.31 117.36 1s6l h LEU 31 Ca -0.00 -0.38 0.18 0.00 0.84 0.00 0.00 57.88 58.52 1s6l h LEU 31 Cb 0.53 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.34 1s6l h LEU 31 CO 0.03 1.11 0.48 0.00 -0.34 0.00 0.00 178.44 179.72 1s6l h ALA 32 N 0.90 2.55 0.00 1.25 0.00 -0.18 0.90 119.26 124.68 1s6l h ALA 32 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1s6l h ALA 32 Cb 1.16 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1s6l h ALA 32 CO 0.11 -0.80 0.00 0.87 0.00 0.00 0.00 179.25 179.44 1s6l h LYS 33 N 0.00 0.00 -4.90 0.00 6.56 -1.59 -3.46 116.57 113.18 1s6l h LYS 33 Ca 0.30 0.00 -0.25 0.00 -1.06 0.00 0.00 60.65 59.64 1s6l h LYS 33 Cb 1.25 0.00 0.14 0.00 -0.57 0.00 0.00 32.23 33.04 1s6l h LYS 33 CO -0.00 0.00 -0.62 0.41 -2.06 0.00 0.00 179.45 177.18 1s6l n GLY 34 N -0.66 -0.29 3.41 3.86 0.00 0.31 -5.05 105.19 106.78 1s6l n GLY 34 Ca -0.01 0.05 -0.20 0.00 0.00 0.00 0.00 46.02 45.86 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 -4.90 1.51 -0.26 1.61 0.52 -1.26 -5.09 118.95 111.07 1s6l s ARG 35 Ca 0.06 -1.78 -0.29 0.00 -0.52 0.00 0.00 55.73 53.21 1s6l s ARG 35 Cb -0.01 -0.97 -0.03 0.00 0.52 0.00 0.00 34.95 34.46 1s6l s ARG 35 CO 0.58 -0.04 1.86 -1.25 0.02 0.00 0.00 175.30 176.47 1s6l s PRO 36 N -3.79 3.43 -0.24 3.54 0.04 -1.26 -4.95 135.00 131.77 1s6l s PRO 36 Ca 0.30 1.68 0.01 0.00 0.04 0.00 0.00 61.00 63.03 1s6l s PRO 36 Cb 0.05 -4.20 0.06 0.00 0.04 0.00 0.00 34.50 30.45 1s6l s PRO 36 CO 0.12 -1.74 -0.05 0.54 0.04 0.00 0.00 177.00 175.91 1s6l s VAL 37 N 6.70 1.51 0.00 -0.36 0.11 -1.26 -5.08 120.40 122.03 1s6l s VAL 37 Ca 0.83 -1.22 0.00 0.00 -2.93 0.00 0.00 61.98 58.66 1s6l s VAL 37 Cb -0.26 -1.79 0.00 0.00 -1.53 0.00 0.00 36.38 32.80 1s6l s VAL 37 CO 0.34 -0.12 0.01 -0.24 -3.33 0.00 0.00 175.10 171.76 1s6l n SER 38 N 4.68 0.01 -0.02 3.54 2.88 -1.26 -2.63 113.62 120.81 1s6l n SER 38 Ca -0.12 -1.01 -0.14 0.00 -1.33 0.00 0.00 58.87 56.27 1s6l n SER 38 Cb 0.44 -0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.87 1s6l n SER 38 CO 0.00 0.00 0.00 0.08 -1.23 0.00 0.00 175.04 173.89 1s6l h ARG 39 N 0.00 0.73 -0.06 -1.46 0.11 -1.97 0.30 114.38 112.02 1s6l h ARG 39 Ca -0.00 -0.54 -0.06 0.00 0.10 0.00 0.00 59.98 59.48 1s6l h ARG 39 Cb 0.01 0.09 -0.01 0.00 1.11 0.00 0.00 29.97 31.17 1s6l h ARG 39 CO 0.00 1.16 -0.25 1.79 0.10 0.00 0.00 179.97 182.77 1s6l h THR 40 N 0.53 1.21 0.18 0.08 1.35 -1.96 1.55 112.91 115.85 1s6l h THR 40 Ca -0.02 -1.00 -0.30 0.00 -0.55 0.00 0.00 66.41 64.54 1s6l h THR 40 Cb 1.28 1.45 0.02 0.00 -1.73 0.00 0.00 68.15 69.17 1s6l h THR 40 CO 0.14 0.30 -1.41 0.74 -0.25 0.00 0.00 175.52 175.04 1s6l h THR 41 N 0.10 1.17 -0.58 6.82 2.02 -1.92 1.06 112.91 121.57 1s6l h THR 41 Ca 0.02 -2.53 -0.03 0.00 0.77 0.00 0.00 66.41 64.63 1s6l h THR 41 Cb 0.51 2.91 -0.03 0.00 -1.74 0.00 0.00 68.15 69.81 1s6l h THR 41 CO 0.04 0.78 0.25 0.25 0.37 0.00 0.00 175.52 177.21 1s6l h LEU 42 N -0.09 0.75 -0.15 2.58 5.85 -0.11 1.90 115.31 126.05 1s6l h LEU 42 Ca -0.27 -0.08 -0.14 0.00 0.84 0.00 0.00 57.88 58.22 1s6l h LEU 42 Cb 1.94 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 42.78 1s6l h LEU 42 CO 0.17 0.66 -0.46 0.00 -0.34 0.00 0.00 178.44 178.47 1s6l h ALA 43 N 1.45 0.26 -0.09 1.25 0.00 0.22 0.25 119.26 122.60 1s6l h ALA 43 Ca 0.20 -0.48 -0.09 0.00 0.00 0.00 0.00 54.91 54.54 1s6l h ALA 43 Cb 0.13 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1s6l h ALA 43 CO -0.02 0.40 -0.34 0.78 0.00 0.00 0.00 179.25 180.07 1s6l h GLY 44 N 0.22 0.19 0.76 0.00 0.00 0.22 0.53 103.07 104.99 1s6l h GLY 44 Ca -0.01 -0.16 -0.19 0.00 0.00 0.00 0.00 47.33 46.97 1s6l h GLY 44 CO 0.10 0.14 -0.82 -2.22 0.00 0.00 0.00 176.54 173.75 1s6l h ILE 45 N 0.15 1.47 0.00 2.60 2.04 0.30 -3.16 117.51 120.92 1s6l h ILE 45 Ca 0.02 -2.44 0.00 0.00 1.00 0.00 0.00 64.86 63.44 1s6l h ILE 45 Cb 0.68 3.04 0.00 0.00 -0.74 0.00 0.00 36.82 39.80 1s6l h ILE 45 CO 0.05 0.70 0.00 0.18 0.00 0.00 0.00 178.15 179.08 1s6l n LEU 46 N -4.11 0.00 -1.75 1.44 4.32 0.86 -4.84 117.00 112.92 1s6l n LEU 46 Ca -0.13 0.47 -0.21 0.00 -0.02 0.00 0.00 56.01 56.12 1s6l n LEU 46 Cb 0.81 -0.47 -0.07 0.00 -1.62 0.00 0.00 43.42 42.07 1s6l n LEU 46 CO 0.49 -0.08 -0.21 -0.67 -1.22 0.00 0.00 177.39 175.70 1s6l n ASP 47 N -1.47 -5.60 -4.94 -1.43 2.03 0.16 -4.95 116.55 100.35 1s6l n ASP 47 Ca 0.07 0.42 -0.25 0.00 0.52 0.00 0.00 54.79 55.54 1s6l n ASP 47 Cb 0.27 -4.88 -0.03 0.00 -0.72 0.00 0.00 41.12 35.77 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 -2.83 3.46 0.30 -0.67 0.23 0.38 -4.99 118.94 114.83 1s6l s TRP 48 Ca 0.00 0.09 -0.29 0.00 -2.03 0.00 0.00 56.10 53.86 1s6l s TRP 48 Cb 0.00 -1.64 -0.10 0.00 0.03 0.00 0.00 33.47 31.76 1s6l s TRP 48 CO 0.00 0.50 1.18 -1.25 0.96 0.00 0.00 176.95 178.34 1s6l s PRO 49 N -3.37 4.54 0.61 4.98 0.04 -1.26 -4.43 135.00 136.11 1s6l s PRO 49 Ca 0.34 1.96 0.25 0.00 0.04 0.00 0.00 61.00 63.59 1s6l s PRO 49 Cb -0.11 -3.15 1.37 0.00 0.04 0.00 0.00 34.50 32.66 1s6l s PRO 49 CO 0.28 0.06 1.75 0.00 0.04 0.00 0.00 177.00 179.14 1s6l h ALA 50 N 3.67 1.36 0.07 8.56 0.00 -1.92 0.91 119.26 131.91 1s6l h ALA 50 Ca -0.48 0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.18 1s6l h ALA 50 Cb 1.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1s6l h ALA 50 CO 0.66 -0.36 -1.09 1.05 0.00 0.00 0.00 179.25 179.51 1s6l h GLU 51 N 0.00 0.35 -0.56 0.00 4.11 -1.98 -1.30 114.58 115.19 1s6l h GLU 51 Ca 0.00 -0.46 -0.10 0.00 0.07 0.00 0.00 59.36 58.86 1s6l h GLU 51 Cb 0.75 0.15 -0.02 0.00 0.50 0.00 0.00 28.75 30.14 1s6l h GLU 51 CO 0.00 1.16 -0.05 0.00 0.07 0.00 0.00 179.01 180.19 1s6l h ARG 52 N 0.15 1.03 -0.13 1.06 -0.00 -1.19 0.30 114.38 115.61 1s6l h ARG 52 Ca -0.11 -0.36 -0.00 0.00 -0.50 0.00 0.00 59.98 59.01 1s6l h ARG 52 Cb 1.77 -0.08 -0.01 0.00 0.00 0.00 0.00 29.97 31.65 1s6l h ARG 52 CO 0.18 1.05 0.06 0.28 0.00 0.00 0.00 179.97 181.54 1s6l h VAL 53 N 0.92 1.12 -0.08 2.04 2.07 -1.51 0.19 116.25 120.99 1s6l h VAL 53 Ca 0.15 -0.35 0.04 0.00 0.82 0.00 0.00 66.70 67.36 1s6l h VAL 53 Cb 0.61 1.12 -0.05 0.00 -1.52 0.00 0.00 31.29 31.45 1s6l h VAL 53 CO 0.04 0.11 -0.26 0.00 0.02 0.00 0.00 177.57 177.48 1s6l h ALA 54 N 0.93 -0.29 -0.50 1.67 0.00 -0.83 0.86 119.26 121.11 1s6l h ALA 54 Ca 0.05 0.02 0.07 0.00 0.00 0.00 0.00 54.91 55.04 1s6l h ALA 54 Cb 0.12 0.48 -0.06 0.00 0.00 0.00 0.00 17.79 18.33 1s6l h ALA 54 CO -0.01 -0.74 0.17 0.00 0.00 0.00 0.00 179.25 178.68 1s6l h ALA 55 N 0.53 0.60 -0.05 0.00 0.00 -0.19 -0.63 119.26 119.53 1s6l h ALA 55 Ca 0.09 0.07 -0.10 0.00 0.00 0.00 0.00 54.91 54.97 1s6l h ALA 55 Cb 0.48 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1s6l h ALA 55 CO -0.28 -0.22 -0.41 0.28 0.00 0.00 0.00 179.25 178.61 1s6l h VAL 56 N 0.34 1.31 -0.34 0.00 2.07 -0.23 -2.81 116.25 116.59 1s6l h VAL 56 Ca 0.24 -1.47 -0.09 0.00 0.82 0.00 0.00 66.70 66.20 1s6l h VAL 56 Cb 0.26 1.73 -0.02 0.00 -1.52 0.00 0.00 31.29 31.75 1s6l h VAL 56 CO -0.25 0.43 -0.15 -0.07 0.02 0.00 0.00 177.57 177.55 1s6l h LEU 57 N 0.09 0.60 -0.57 2.57 -0.00 0.21 -2.52 115.31 115.69 1s6l h LEU 57 Ca 0.01 -0.18 0.04 0.00 -0.00 0.00 0.00 57.88 57.75 1s6l h LEU 57 Cb 0.77 -0.16 -0.05 0.00 -0.00 0.00 0.00 40.66 41.22 1s6l h LEU 57 CO 0.06 0.77 0.31 -0.33 -0.00 0.00 0.00 178.44 179.25 1s6l h GLU 58 N 0.55 0.59 0.00 1.13 4.39 -0.91 0.05 114.58 120.38 1s6l h GLU 58 Ca 0.09 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.76 1s6l h GLU 58 Cb 0.57 -0.13 0.00 0.00 -0.10 0.00 0.00 28.75 29.09 1s6l h GLU 58 CO 0.04 0.39 0.00 1.04 -1.16 0.00 0.00 179.01 179.31 1s6l n GLN 59 N -4.82 0.02 -3.53 2.33 6.02 -1.11 -4.00 117.38 112.29 1s6l n GLN 59 Ca 0.06 0.08 -0.29 0.00 -0.01 0.00 0.00 57.00 56.83 1s6l n GLN 59 Cb 0.13 -1.50 -0.08 0.00 1.02 0.00 0.00 30.24 29.81 1s6l n GLN 59 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1s6l n ALA 60 N -1.49 3.98 -0.02 -1.58 0.00 0.00 -4.78 120.51 116.62 1s6l n ALA 60 Ca 0.06 -4.70 0.02 0.00 0.00 0.00 0.00 53.44 48.82 1s6l n ALA 60 Cb 0.28 -1.13 -0.13 0.00 0.00 0.00 0.00 19.45 18.46 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 1.31 0.74 0.21 0.00 -2.24 -1.23 -4.20 114.28 108.87 1s6l n THR 61 Ca 0.26 -0.66 0.08 0.00 -2.27 0.00 0.00 64.05 61.47 1s6l n THR 61 Cb 0.38 -0.33 0.45 0.00 -2.10 0.00 0.00 70.33 68.73 1s6l n THR 61 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1s6l h SER 62 N 0.00 0.00 -3.18 3.42 0.02 -1.92 -3.45 113.55 108.44 1s6l h SER 62 Ca -0.20 0.00 -0.58 0.00 -0.84 0.00 0.00 61.79 60.17 1s6l h SER 62 Cb 1.51 0.00 0.12 0.00 0.14 0.00 0.00 62.40 64.17 1s6l h SER 62 CO 0.02 0.28 0.38 0.41 -1.14 0.00 0.00 176.83 176.78 1s6l n THR 63 N -3.55 2.19 -2.64 -2.27 -1.04 -1.26 -4.92 114.28 100.79 1s6l n THR 63 Ca -0.01 -0.50 -0.42 0.00 -2.04 0.00 0.00 64.05 61.08 1s6l n THR 63 Cb 0.43 -1.41 -0.03 0.00 -1.82 0.00 0.00 70.33 67.50 1s6l n THR 63 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 1s6l s GLU 64 N -1.92 4.45 0.43 -2.82 2.02 -1.26 -5.05 118.70 114.56 1s6l s GLU 64 Ca 0.58 1.47 0.08 0.00 0.02 0.00 0.00 54.97 57.12 1s6l s GLU 64 Cb -0.58 -3.51 -0.00 0.00 0.10 0.00 0.00 34.13 30.14 1s6l s GLU 64 CO 0.60 -0.26 0.47 0.71 0.02 0.00 0.00 175.26 176.80 1s6l s TYR 65 N 1.72 2.62 -0.12 1.61 2.02 -1.26 -3.09 117.35 120.85 1s6l s TYR 65 Ca 0.51 -0.49 -0.23 0.00 -0.37 0.00 0.00 57.07 56.49 1s6l s TYR 65 Cb -0.21 -2.23 0.05 0.00 -0.40 0.00 0.00 41.96 39.17 1s6l s TYR 65 CO 0.22 -0.30 0.56 0.34 -1.57 0.00 0.00 175.55 174.80 1s6l s ASP 66 N -4.24 -0.54 1.04 2.29 -1.08 -0.99 -4.86 116.67 108.29 1s6l s ASP 66 Ca 0.51 0.80 0.00 0.00 -0.52 0.00 0.00 52.55 53.33 1s6l s ASP 66 Cb -0.06 0.79 0.00 0.00 -1.46 0.00 0.00 42.92 42.19 1s6l s ASP 66 CO 0.30 -0.39 0.00 1.17 0.52 0.00 0.00 175.17 176.77 1s6l n LYS 67 N 1.83 0.00 0.03 4.34 4.81 -1.26 -1.95 118.16 125.96 1s6l n LYS 67 Ca -0.17 0.00 0.11 0.00 -0.87 0.00 0.00 58.31 57.38 1s6l n LYS 67 Cb 0.56 0.00 0.09 0.00 0.02 0.00 0.00 35.03 35.71 1s6l n LYS 67 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 1s6l n ASP 68 N 9.05 0.63 0.00 3.14 -0.08 -1.26 -4.91 116.55 123.11 1s6l n ASP 68 Ca 0.00 -0.18 0.00 0.00 -1.51 0.00 0.00 54.79 53.10 1s6l n ASP 68 Cb 0.00 0.56 0.00 0.00 2.34 0.00 0.00 41.12 44.02 1s6l n ASP 68 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1s6l n GLY 69 N 1.39 1.35 3.92 0.27 0.00 -0.82 -5.15 105.19 106.16 1s6l n GLY 69 Ca 0.03 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.41 5.80 -0.27 1.61 -0.87 -1.03 -4.74 114.94 114.04 1s6l s ASN 70 Ca 0.00 0.72 -0.29 0.00 -1.57 0.00 0.00 52.86 51.72 1s6l s ASN 70 Cb 0.00 -1.83 0.01 0.00 -0.02 0.00 0.00 41.25 39.41 1s6l s ASN 70 CO 0.00 -0.89 1.07 0.27 -2.57 0.00 0.00 177.10 174.98 1s6l s ILE 71 N -2.87 4.58 -0.12 0.60 -0.00 -1.08 -2.35 121.20 119.96 1s6l s ILE 71 Ca 0.51 1.87 0.18 0.00 -0.00 0.00 0.00 60.65 63.21 1s6l s ILE 71 Cb -0.10 -4.35 -0.19 0.00 -0.00 0.00 0.00 42.46 37.82 1s6l s ILE 71 CO 0.44 -0.32 0.60 0.00 -0.00 0.00 0.00 174.94 175.66 1s6l n ILE 72 N 5.59 1.08 0.00 8.37 0.00 -1.18 -4.39 119.36 128.83 1s6l n ILE 72 Ca 0.12 -0.70 0.00 0.00 0.00 0.00 0.00 62.75 62.17 1s6l n ILE 72 Cb 0.46 -0.58 0.00 0.00 0.00 0.00 0.00 39.64 39.52 1s6l n ILE 72 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1s6l n GLY 73 N 1.46 -0.63 3.82 4.50 0.00 -1.26 -5.01 105.19 108.07 1s6l n GLY 73 Ca -0.14 -2.21 -0.06 0.00 0.00 0.00 0.00 46.02 43.61 1s6l n GLY 73 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1s6l s TYR 74 N -0.08 -0.13 0.00 1.61 5.04 -1.26 -4.47 117.35 118.06 1s6l s TYR 74 Ca 0.00 -0.29 0.00 0.00 -2.44 0.00 0.00 57.07 54.34 1s6l s TYR 74 Cb 0.00 0.69 0.00 0.00 0.35 0.00 0.00 41.96 43.00 1s6l s TYR 74 CO 0.00 -1.10 0.00 0.41 -1.34 0.00 0.00 175.55 173.52 1s6l n GLY 75 N -0.48 2.48 3.92 8.97 0.00 -1.26 -4.99 105.19 113.83 1s6l n GLY 75 Ca -0.05 -0.52 -0.27 0.00 0.00 0.00 0.00 46.02 45.18 1s6l n GLY 75 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1s6l s LEU 76 N 0.00 3.07 0.20 0.99 2.34 -1.26 -4.91 118.68 119.11 1s6l s LEU 76 Ca 0.00 0.67 0.08 0.00 0.06 0.00 0.00 54.13 54.93 1s6l s LEU 76 Cb 0.00 -3.43 -0.05 0.00 -0.56 0.00 0.00 46.19 42.15 1s6l s LEU 76 CO 0.00 -1.26 -0.15 0.42 -1.06 0.00 0.00 176.35 174.30 1s6l s THR 77 N -3.11 1.75 0.00 5.48 -4.23 -1.25 -5.06 115.64 109.22 1s6l s THR 77 Ca 0.56 -2.19 0.00 0.00 -1.18 0.00 0.00 61.69 58.88 1s6l s THR 77 Cb -0.11 -2.03 0.00 0.00 1.34 0.00 0.00 72.50 71.71 1s6l s THR 77 CO 0.46 -0.57 0.17 0.18 -0.54 0.00 0.00 174.62 174.31 1s6l n LEU 78 N -0.33 0.00 -3.12 4.79 4.32 -1.26 -4.18 117.00 117.22 1s6l n LEU 78 Ca -0.08 0.17 0.05 0.00 -0.02 0.00 0.00 56.01 56.13 1s6l n LEU 78 Cb 0.60 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.40 1s6l n LEU 78 CO 0.34 0.00 0.48 -0.13 -1.22 0.00 0.00 177.39 176.86 1s6l s ARG 79 N -0.34 0.18 0.00 3.23 0.52 -1.26 -4.58 118.95 116.70 1s6l s ARG 79 Ca 0.00 0.15 0.00 0.00 -0.52 0.00 0.00 55.73 55.36 1s6l s ARG 79 Cb 0.00 0.07 0.00 0.00 0.52 0.00 0.00 34.95 35.54 1s6l s ARG 79 CO 0.00 -0.33 0.48 -0.85 0.02 0.00 0.00 175.30 174.62 1s6l n GLU 80 N 4.99 0.00 -3.02 3.54 0.28 -1.26 -5.15 120.64 120.02 1s6l n GLU 80 Ca 0.09 -0.25 -0.12 0.00 -0.16 0.00 0.00 57.16 56.71 1s6l n GLU 80 Cb 0.58 0.18 -0.03 0.00 1.43 0.00 0.00 31.44 33.60 1s6l n GLU 80 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 1s6l n THR 81 N 0.00 0.00 -0.06 3.84 -2.24 -1.26 -5.07 114.28 109.49 1s6l n THR 81 Ca -0.07 -0.92 -0.01 0.00 -2.27 0.00 0.00 64.05 60.78 1s6l n THR 81 Cb 0.43 0.18 -0.16 0.00 -2.10 0.00 0.00 70.33 68.69 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 -1.12 0.27 -4.60 3.42 3.41 -1.26 -4.89 113.62 108.84 1s6l n SER 82 Ca -0.08 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.11 1s6l n SER 82 Cb 0.25 1.38 -0.05 0.00 -0.26 0.00 0.00 64.21 65.52 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 -2.87 3.18 0.01 7.33 1.51 -1.26 -4.63 117.35 120.62 1s6l s TYR 83 Ca -0.09 0.69 0.03 0.00 -1.01 0.00 0.00 57.07 56.70 1s6l s TYR 83 Cb 0.09 -3.24 -0.03 0.00 -0.11 0.00 0.00 41.96 38.67 1s6l s TYR 83 CO 0.82 -0.60 -0.05 0.08 -1.11 0.00 0.00 175.55 174.69 1s6l s VAL 84 N 2.94 3.78 -0.25 0.71 1.01 -0.56 -1.62 120.40 126.41 1s6l s VAL 84 Ca 0.31 -0.77 -0.01 0.00 0.00 0.00 0.00 61.98 61.51 1s6l s VAL 84 Cb -0.14 -2.67 0.08 0.00 0.00 0.00 0.00 36.38 33.65 1s6l s VAL 84 CO 0.14 0.36 0.04 0.12 0.00 0.00 0.00 175.10 175.76 1s6l s PHE 85 N -1.04 1.59 -0.17 5.22 5.36 0.47 -0.40 117.98 129.01 1s6l s PHE 85 Ca 0.18 -1.41 -0.13 0.00 -0.96 0.00 0.00 56.93 54.62 1s6l s PHE 85 Cb -0.11 -1.43 -0.05 0.00 -0.34 0.00 0.00 43.02 41.09 1s6l s PHE 85 CO 0.09 -0.75 0.25 -1.21 -1.46 0.00 0.00 175.22 172.13 1s6l s GLU 86 N 1.66 4.24 -0.03 10.12 2.02 0.34 0.20 118.70 137.25 1s6l s GLU 86 Ca 0.03 0.00 -0.01 0.00 0.02 0.00 0.00 54.97 55.01 1s6l s GLU 86 Cb -0.17 -3.43 0.03 0.00 0.10 0.00 0.00 34.13 30.66 1s6l s GLU 86 CO -0.15 0.25 0.05 0.96 0.02 0.00 0.00 175.26 176.39 1s6l s ILE 87 N 0.47 -0.08 0.00 -1.63 -4.36 -0.10 0.92 121.20 116.42 1s6l s ILE 87 Ca 0.14 0.31 0.00 0.00 -0.26 0.00 0.00 60.65 60.84 1s6l s ILE 87 Cb -0.12 -0.11 0.00 0.00 1.25 0.00 0.00 42.46 43.47 1s6l s ILE 87 CO 0.02 0.13 0.00 0.47 0.24 0.00 0.00 174.94 175.80 1s6l n ASP 88 N 4.68 0.00 -2.32 4.36 8.00 -1.25 -0.90 116.55 129.12 1s6l n ASP 88 Ca -0.17 0.00 -0.02 0.00 0.71 0.00 0.00 54.79 55.31 1s6l n ASP 88 Cb 0.50 0.00 0.07 0.00 -0.02 0.00 0.00 41.12 41.67 1s6l n ASP 88 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1s6l n ASP 89 N 0.72 -0.57 -3.91 -2.24 2.03 -1.26 -5.11 116.55 106.21 1s6l n ASP 89 Ca 0.00 -2.12 -0.11 0.00 0.52 0.00 0.00 54.79 53.08 1s6l n ASP 89 Cb 0.00 0.30 -0.12 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 -0.73 0.24 -0.81 -0.67 1.81 -0.08 -5.10 118.95 113.61 1s6l s ARG 90 Ca 0.13 -0.29 -0.06 0.00 -1.72 0.00 0.00 55.73 53.79 1s6l s ARG 90 Cb 0.34 0.09 0.21 0.00 -0.45 0.00 0.00 34.95 35.14 1s6l s ARG 90 CO -0.09 -0.04 0.70 -0.98 -0.68 0.00 0.00 175.30 174.20 1s6l s ARG 91 N -0.83 3.23 0.86 3.54 3.03 -1.26 -0.92 118.95 126.60 1s6l s ARG 91 Ca -0.09 -2.79 -0.11 0.00 2.03 0.00 0.00 55.73 54.77 1s6l s ARG 91 Cb -0.06 -4.08 0.11 0.00 -1.03 0.00 0.00 34.95 29.89 1s6l s ARG 91 CO -0.00 -1.24 1.09 -0.51 -1.13 0.00 0.00 175.30 173.51 1s6l s LEU 92 N -0.47 2.41 0.13 -1.89 2.01 0.53 -4.83 118.68 116.56 1s6l s LEU 92 Ca 0.21 1.47 0.02 0.00 0.01 0.00 0.00 54.13 55.84 1s6l s LEU 92 Cb -0.13 -3.96 -0.04 0.00 0.01 0.00 0.00 46.19 42.06 1s6l s LEU 92 CO -0.08 -2.42 -0.04 -0.31 1.01 0.00 0.00 176.35 174.52 1s6l s TYR 93 N -2.99 1.02 0.15 0.29 1.51 -1.26 -0.40 117.35 115.67 1s6l s TYR 93 Ca 0.63 -0.95 -0.10 0.00 -1.01 0.00 0.00 57.07 55.64 1s6l s TYR 93 Cb -0.17 -0.58 -0.00 0.00 -0.11 0.00 0.00 41.96 41.10 1s6l s TYR 93 CO 0.56 -0.17 0.28 0.00 -1.11 0.00 0.00 175.55 175.11 1s6l s ALA 94 N -3.63 -0.14 -0.34 3.71 0.00 -0.64 -3.81 121.76 116.91 1s6l s ALA 94 Ca 0.17 -0.75 0.22 0.00 0.00 0.00 0.00 51.96 51.60 1s6l s ALA 94 Cb 0.05 0.76 0.19 0.00 0.00 0.00 0.00 23.12 24.12 1s6l s ALA 94 CO -0.01 -0.62 1.36 -1.49 0.00 0.00 0.00 175.76 175.00 1s6l h TRP 95 N 2.57 0.00 -2.84 0.00 4.06 -1.89 -3.36 115.95 114.49 1s6l h TRP 95 Ca -0.32 0.00 -0.05 0.00 2.06 0.00 0.00 58.89 60.58 1s6l h TRP 95 Cb 1.22 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.38 1s6l h TRP 95 CO 0.40 0.02 0.17 0.00 -3.56 0.00 0.00 178.44 175.47 1s6l h ALA 97 N 1.99 1.00 0.00 0.00 0.00 -0.04 -3.05 119.26 119.16 1s6l h ALA 97 Ca -0.25 0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.53 1s6l h ALA 97 Cb 0.92 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 1s6l h ALA 97 CO 0.31 0.00 -0.76 1.25 0.00 0.00 0.00 179.25 180.05 1s6l h LEU 98 N 0.00 0.00 -2.49 0.00 6.46 -1.87 -3.37 115.31 114.04 1s6l h LEU 98 Ca 0.00 -0.56 0.01 0.00 -0.12 0.00 0.00 57.88 57.21 1s6l h LEU 98 Cb 0.06 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 39.99 1s6l h LEU 98 CO 0.00 1.22 0.15 0.44 -0.62 0.00 0.00 178.44 179.64 1s6l h ASP 99 N -1.00 0.00 -0.58 1.25 3.32 -1.84 -1.92 116.42 115.64 1s6l h ASP 99 Ca -0.20 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 56.76 1s6l h ASP 99 Cb 1.06 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.59 1s6l h ASP 99 CO -0.12 0.00 -0.00 0.71 -1.72 0.00 0.00 179.24 178.11 1s6l h THR 100 N 0.00 1.26 0.00 0.35 1.35 -1.71 -3.41 112.91 110.76 1s6l h THR 100 Ca 0.02 -1.15 0.00 0.00 -0.55 0.00 0.00 66.41 64.73 1s6l h THR 100 Cb 0.32 0.80 0.00 0.00 -1.73 0.00 0.00 68.15 67.55 1s6l h THR 100 CO -0.00 0.42 0.00 0.00 -0.25 0.00 0.00 175.52 175.69 1s6l n LEU 101 N -4.18 0.72 0.00 3.87 -0.00 -0.73 -4.81 117.00 111.87 1s6l n LEU 101 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.04 1s6l n LEU 101 Cb 0.35 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.77 1s6l n LEU 101 CO 0.44 0.00 0.00 -0.38 -0.00 0.00 0.00 177.39 177.45 1s6l n ILE 102 N -0.67 0.00 -2.94 1.47 2.08 -1.16 -4.20 119.36 113.93 1s6l n ILE 102 Ca 0.00 0.00 -0.14 0.00 0.56 0.00 0.00 62.75 63.17 1s6l n ILE 102 Cb 0.00 0.00 0.01 0.00 -0.75 0.00 0.00 39.64 38.90 1s6l n ILE 102 CO 0.00 0.00 0.00 0.49 0.56 0.00 0.00 176.55 177.60 1s6l n PHE 103 N 0.00 -1.85 0.16 1.39 3.72 -1.26 -4.98 117.46 114.65 1s6l n PHE 103 Ca 0.00 -2.67 0.02 0.00 -0.05 0.00 0.00 57.45 54.74 1s6l n PHE 103 Cb 0.00 0.73 0.26 0.00 -0.94 0.00 0.00 39.48 39.54 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 3.59 0.00 0.00 -1.08 0.11 -1.95 -2.96 132.00 129.71 1s6l h PRO 104 Ca -0.04 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 66.00 1s6l h PRO 104 Cb 1.00 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.10 1s6l h PRO 104 CO 0.35 0.49 -0.34 0.00 -0.21 0.00 0.00 178.00 178.29 1s6l h ALA 105 N 1.51 0.79 0.03 -0.75 0.00 -1.88 -3.30 119.26 115.66 1s6l h ALA 105 Ca -0.00 -0.31 -0.24 0.00 0.00 0.00 0.00 54.91 54.35 1s6l h ALA 105 Cb 0.94 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.65 1s6l h ALA 105 CO 0.06 0.43 -1.19 1.25 0.00 0.00 0.00 179.25 179.80 1s6l h LEU 106 N 0.00 0.10 -0.47 0.00 6.46 -1.92 -3.34 115.31 116.13 1s6l h LEU 106 Ca -0.00 -0.12 0.05 0.00 -0.12 0.00 0.00 57.88 57.69 1s6l h LEU 106 Cb 1.24 -0.03 -0.05 0.00 -0.73 0.00 0.00 40.66 41.09 1s6l h LEU 106 CO 0.04 1.10 0.21 -0.29 -0.62 0.00 0.00 178.44 178.88 1s6l h ILE 107 N 0.02 0.91 0.00 4.05 6.09 -1.60 -3.47 117.51 123.51 1s6l h ILE 107 Ca -0.09 -0.14 0.00 0.00 -1.37 0.00 0.00 64.86 63.26 1s6l h ILE 107 Cb 1.86 0.46 0.00 0.00 0.47 0.00 0.00 36.82 39.61 1s6l h ILE 107 CO 0.14 0.08 0.00 0.61 -3.07 0.00 0.00 178.15 175.90 1s6l n GLY 108 N -1.25 0.97 3.56 8.18 0.00 -1.26 -5.09 105.19 110.31 1s6l n GLY 108 Ca 0.04 -0.04 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 1s6l n GLY 108 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1s6l s ARG 109 N -0.14 1.91 0.50 1.61 6.06 -1.26 -5.03 118.95 122.61 1s6l s ARG 109 Ca 0.00 -1.63 -0.19 0.00 -2.50 0.00 0.00 55.73 51.41 1s6l s ARG 109 Cb 0.00 0.48 -0.08 0.00 0.06 0.00 0.00 34.95 35.41 1s6l s ARG 109 CO 0.00 -0.81 1.04 0.99 -2.50 0.00 0.00 175.30 174.02 1s6l s THR 110 N -3.07 3.83 -0.19 4.11 2.01 -1.26 -4.30 115.64 116.76 1s6l s THR 110 Ca 0.27 1.09 -0.04 0.00 0.31 0.00 0.00 61.69 63.32 1s6l s THR 110 Cb -0.01 -3.45 0.06 0.00 0.01 0.00 0.00 72.50 69.11 1s6l s THR 110 CO 0.17 -0.30 0.06 0.00 -0.69 0.00 0.00 174.62 173.87 1s6l s ALA 111 N -2.08 0.74 -0.22 7.40 0.00 0.32 -3.95 121.76 123.98 1s6l s ALA 111 Ca 0.66 -0.53 -0.25 0.00 0.00 0.00 0.00 51.96 51.84 1s6l s ALA 111 Cb -0.16 -1.12 -0.01 0.00 0.00 0.00 0.00 23.12 21.84 1s6l s ALA 111 CO 0.23 -1.18 0.85 1.03 0.00 0.00 0.00 175.76 176.69 1s6l s ARG 112 N 1.99 4.22 -0.13 0.00 0.52 0.26 0.15 118.95 125.96 1s6l s ARG 112 Ca 0.01 1.01 -0.01 0.00 -0.52 0.00 0.00 55.73 56.22 1s6l s ARG 112 Cb -0.17 -3.63 -0.02 0.00 0.52 0.00 0.00 34.95 31.66 1s6l s ARG 112 CO -0.09 -0.48 -0.10 0.08 0.02 0.00 0.00 175.30 174.73 1s6l s VAL 113 N 2.69 3.32 -0.04 3.52 1.01 0.29 0.13 120.40 131.32 1s6l s VAL 113 Ca 0.37 -0.57 0.06 0.00 0.00 0.00 0.00 61.98 61.84 1s6l s VAL 113 Cb -0.16 -2.41 -0.01 0.00 0.00 0.00 0.00 36.38 33.81 1s6l s VAL 113 CO 0.09 0.52 -0.23 -0.44 0.00 0.00 0.00 175.10 175.04 1s6l s SER 114 N 0.24 2.72 0.24 3.32 0.01 0.47 0.15 113.70 120.85 1s6l s SER 114 Ca -0.07 -0.44 0.00 0.00 1.31 0.00 0.00 55.95 56.76 1s6l s SER 114 Cb -0.15 -0.53 -0.03 0.00 0.21 0.00 0.00 66.02 65.52 1s6l s SER 114 CO 0.05 0.25 0.21 -0.94 0.41 0.00 0.00 173.24 173.21 1s6l s SER 115 N -0.31 0.57 -0.05 2.44 1.04 0.57 -1.49 113.70 116.47 1s6l s SER 115 Ca 0.02 -1.46 0.02 0.00 0.48 0.00 0.00 55.95 55.01 1s6l s SER 115 Cb -0.11 0.45 0.01 0.00 0.10 0.00 0.00 66.02 66.48 1s6l s SER 115 CO 0.01 -0.94 -0.08 -1.00 0.98 0.00 0.00 173.24 172.21 1s6l s HIS 116 N -3.91 1.01 0.11 5.02 3.76 -1.26 0.12 115.29 120.14 1s6l s HIS 116 Ca 0.38 -0.31 -0.32 0.00 -0.15 0.00 0.00 55.06 54.65 1s6l s HIS 116 Cb 0.05 -0.79 -0.12 0.00 1.11 0.00 0.00 32.58 32.83 1s6l s HIS 116 CO 0.16 -0.19 1.78 0.00 -0.85 0.00 0.00 174.74 175.64 1s6l n ALA 118 N 5.20 1.67 0.00 0.00 0.00 -0.96 0.21 120.51 126.63 1s6l n ALA 118 Ca 0.18 -0.05 -0.01 0.00 0.00 0.00 0.00 53.44 53.56 1s6l n ALA 118 Cb 0.34 -1.21 -0.00 0.00 0.00 0.00 0.00 19.45 18.58 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 -1.40 2.91 0.13 0.00 0.00 -1.26 -4.76 120.51 116.13 1s6l n ALA 119 Ca 0.05 -0.05 0.04 0.00 0.00 0.00 0.00 53.44 53.48 1s6l n ALA 119 Cb 0.13 0.44 0.03 0.00 0.00 0.00 0.00 19.45 20.05 1s6l n ALA 119 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1s6l h THR 120 N -0.05 0.58 0.00 0.00 1.35 -1.95 -3.47 112.91 109.38 1s6l h THR 120 Ca -0.03 -1.87 0.00 0.00 -0.55 0.00 0.00 66.41 63.96 1s6l h THR 120 Cb 0.87 2.21 0.00 0.00 -1.73 0.00 0.00 68.15 69.50 1s6l h THR 120 CO -0.02 0.33 0.00 0.61 -0.25 0.00 0.00 175.52 176.19 1s6l n GLY 121 N 1.23 0.32 3.74 5.82 0.00 0.13 -4.92 105.19 111.52 1s6l n GLY 121 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 1s6l n GLY 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s6l s ALA 122 N -1.80 1.99 -0.53 4.61 0.00 -1.26 -4.44 121.76 120.33 1s6l s ALA 122 Ca 0.00 0.37 -0.24 0.00 0.00 0.00 0.00 51.96 52.09 1s6l s ALA 122 Cb 0.00 -3.33 0.04 0.00 0.00 0.00 0.00 23.12 19.83 1s6l s ALA 122 CO 0.00 -2.10 0.92 -1.25 0.00 0.00 0.00 175.76 173.33 1s6l s PRO 123 N -4.82 3.36 0.01 0.00 0.05 -1.26 -0.94 135.00 131.40 1s6l s PRO 123 Ca 0.63 -0.20 -0.00 0.00 0.05 0.00 0.00 61.00 61.48 1s6l s PRO 123 Cb -0.19 -4.02 -0.04 0.00 0.05 0.00 0.00 34.50 30.30 1s6l s PRO 123 CO 0.57 -1.41 0.10 0.14 0.05 0.00 0.00 177.00 176.45 1s6l s VAL 124 N 3.82 4.82 -0.14 -0.36 -7.23 0.31 -4.71 120.40 116.92 1s6l s VAL 124 Ca 0.31 -0.44 -0.16 0.00 -1.81 0.00 0.00 61.98 59.87 1s6l s VAL 124 Cb -0.12 -3.24 0.04 0.00 0.56 0.00 0.00 36.38 33.62 1s6l s VAL 124 CO 0.20 0.30 0.44 -0.94 -0.31 0.00 0.00 175.10 174.79 1s6l s SER 125 N -1.92 -0.43 0.09 4.85 1.04 -0.68 0.21 113.70 116.85 1s6l s SER 125 Ca 0.25 0.76 0.04 0.00 0.48 0.00 0.00 55.95 57.49 1s6l s SER 125 Cb -0.12 0.80 -0.03 0.00 0.10 0.00 0.00 66.02 66.76 1s6l s SER 125 CO 0.17 -0.23 -0.12 -0.76 0.98 0.00 0.00 173.24 173.28 1s6l s LEU 126 N -0.10 2.36 -0.30 2.42 2.01 0.38 -1.85 118.68 123.60 1s6l s LEU 126 Ca -0.03 -0.73 -0.06 0.00 0.01 0.00 0.00 54.13 53.32 1s6l s LEU 126 Cb -0.03 -0.40 0.02 0.00 0.01 0.00 0.00 46.19 45.79 1s6l s LEU 126 CO 0.02 -0.18 0.06 -0.89 1.01 0.00 0.00 176.35 176.37 1s6l s THR 127 N -1.96 3.70 -0.36 5.49 2.01 -0.52 0.10 115.64 124.11 1s6l s THR 127 Ca 0.03 -0.92 -0.16 0.00 0.31 0.00 0.00 61.69 60.94 1s6l s THR 127 Cb -0.06 -2.98 -0.00 0.00 0.01 0.00 0.00 72.50 69.47 1s6l s THR 127 CO 0.01 0.00 0.40 -0.69 -0.69 0.00 0.00 174.62 173.65 1s6l s VAL 128 N 1.43 5.13 0.40 3.82 1.01 0.40 -1.73 120.40 130.85 1s6l s VAL 128 Ca 0.00 0.01 0.08 0.00 0.00 0.00 0.00 61.98 62.07 1s6l s VAL 128 Cb -0.18 -3.89 -0.02 0.00 0.00 0.00 0.00 36.38 32.29 1s6l s VAL 128 CO 0.01 -0.18 0.34 -0.94 0.00 0.00 0.00 175.10 174.34 1s6l s SER 129 N 1.75 5.04 0.56 3.32 1.04 0.20 0.12 113.70 125.74 1s6l s SER 129 Ca 0.13 -0.73 0.37 0.00 0.48 0.00 0.00 55.95 56.20 1s6l s SER 129 Cb -0.16 -0.64 1.73 0.00 0.10 0.00 0.00 66.02 67.05 1s6l s SER 129 CO 0.12 -0.59 2.09 1.55 0.98 0.00 0.00 173.24 177.40 1s6l h PRO 130 N 1.10 0.00 0.00 4.02 0.13 -1.79 -3.15 132.00 132.32 1s6l h PRO 130 Ca -0.42 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.58 1s6l h PRO 130 Cb 1.26 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.37 1s6l h PRO 130 CO 0.58 0.00 -1.60 0.45 -0.23 0.00 0.00 178.00 177.20 1s6l n SER 131 N -2.98 2.67 0.00 1.44 2.88 -1.26 -4.82 113.62 111.55 1s6l n SER 131 Ca -0.01 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.53 1s6l n SER 131 Cb 0.20 0.91 0.00 0.00 -0.75 0.00 0.00 64.21 64.57 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 -2.23 -0.49 -3.58 -1.46 0.28 -1.19 -5.16 120.64 106.80 1s6l n GLU 132 Ca -0.12 0.00 -0.30 0.00 -0.16 0.00 0.00 57.16 56.58 1s6l n GLU 132 Cb 0.67 0.00 -0.04 0.00 1.43 0.00 0.00 31.44 33.50 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 -0.01 3.84 -4.36 -1.26 0.62 121.20 122.15 1s6l s ILE 133 Ca 0.00 -0.02 0.06 0.00 -0.26 0.00 0.00 60.65 60.43 1s6l s ILE 133 Cb 0.00 -3.67 0.10 0.00 1.25 0.00 0.00 42.46 40.14 1s6l s ILE 133 CO 0.00 -0.10 1.04 0.00 0.24 0.00 0.00 174.94 176.12 1s6l n GLN 134 N -0.34 0.11 -2.83 0.37 1.13 -0.71 -4.91 117.38 110.20 1s6l n GLN 134 Ca -0.03 -1.32 0.00 0.00 -1.94 0.00 0.00 57.00 53.72 1s6l n GLN 134 Cb 0.53 -0.50 0.01 0.00 0.11 0.00 0.00 30.24 30.39 1s6l n GLN 134 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1s6l s ALA 135 N -0.25 -3.90 -0.32 -1.58 0.00 -1.26 -4.87 121.76 109.57 1s6l s ALA 135 Ca 0.09 0.83 -0.10 0.00 0.00 0.00 0.00 51.96 52.78 1s6l s ALA 135 Cb 0.09 -2.94 -0.01 0.00 0.00 0.00 0.00 23.12 20.27 1s6l s ALA 135 CO -0.03 -2.43 0.17 0.08 0.00 0.00 0.00 175.76 173.55 1s6l s VAL 136 N 1.68 4.70 -0.07 0.00 1.01 -1.26 -1.43 120.40 125.02 1s6l s VAL 136 Ca 0.18 -0.44 -0.03 0.00 0.00 0.00 0.00 61.98 61.69 1s6l s VAL 136 Cb 0.03 -3.42 0.04 0.00 0.00 0.00 0.00 36.38 33.04 1s6l s VAL 136 CO -0.12 0.03 0.15 -0.70 0.00 0.00 0.00 175.10 174.45 1s6l s GLU 137 N 1.62 0.04 0.81 2.72 2.12 -0.77 -3.54 118.70 121.71 1s6l s GLU 137 Ca 0.05 0.48 -0.11 0.00 0.36 0.00 0.00 54.97 55.74 1s6l s GLU 137 Cb -0.17 -0.25 0.08 0.00 0.26 0.00 0.00 34.13 34.04 1s6l s GLU 137 CO 0.07 -0.26 1.09 -1.25 -0.54 0.00 0.00 175.26 174.37 1s6l s PRO 138 N 1.86 1.97 -1.24 4.30 0.04 -1.26 -1.69 135.00 138.99 1s6l s PRO 138 Ca -0.01 0.97 -0.21 0.00 0.04 0.00 0.00 61.00 61.79 1s6l s PRO 138 Cb -0.12 -1.88 -0.02 0.00 0.04 0.00 0.00 34.50 32.52 1s6l s PRO 138 CO -0.06 -1.78 1.85 0.00 0.04 0.00 0.00 177.00 177.05 1s6l n ALA 139 N -3.59 2.59 0.00 8.56 0.00 -1.23 -2.65 120.51 124.18 1s6l n ALA 139 Ca 0.08 -3.38 0.00 0.00 0.00 0.00 0.00 53.44 50.14 1s6l n ALA 139 Cb 0.54 -3.54 0.00 0.00 0.00 0.00 0.00 19.45 16.46 1s6l n ALA 139 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1s6l n GLY 140 N 5.60 -0.12 3.63 0.00 0.00 -1.26 -5.16 105.19 107.89 1s6l n GLY 140 Ca 0.47 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.19 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 0.53 0.10 1.61 0.00 -1.08 -4.21 119.30 116.24 1s6l s MET 141 Ca 0.00 1.12 0.06 0.00 0.00 0.00 0.00 55.69 56.87 1s6l s MET 141 Cb 0.00 -1.70 -0.03 0.00 0.00 0.00 0.00 34.83 33.09 1s6l s MET 141 CO 0.00 -2.83 -0.15 0.00 0.00 0.00 0.00 175.02 172.04 1s6l s ALA 142 N -2.68 1.43 0.15 3.16 0.00 0.31 -3.73 121.76 120.40 1s6l s ALA 142 Ca 0.66 -1.17 0.09 0.00 0.00 0.00 0.00 51.96 51.54 1s6l s ALA 142 Cb -0.22 -0.11 -0.04 0.00 0.00 0.00 0.00 23.12 22.75 1s6l s ALA 142 CO 0.60 0.17 -0.15 0.08 0.00 0.00 0.00 175.76 176.46 1s6l s VAL 143 N -1.64 2.95 0.03 0.00 1.01 0.42 0.21 120.40 123.37 1s6l s VAL 143 Ca 0.04 -1.60 0.09 0.00 0.00 0.00 0.00 61.98 60.51 1s6l s VAL 143 Cb -0.08 -2.40 -0.03 0.00 0.00 0.00 0.00 36.38 33.88 1s6l s VAL 143 CO 0.03 0.00 -0.25 -0.44 0.00 0.00 0.00 175.10 174.44 1s6l s SER 144 N -2.45 3.00 0.23 3.32 0.01 0.29 0.16 113.70 118.27 1s6l s SER 144 Ca 0.21 -0.54 0.10 0.00 1.31 0.00 0.00 55.95 57.03 1s6l s SER 144 Cb -0.10 -0.29 -0.05 0.00 0.21 0.00 0.00 66.02 65.80 1s6l s SER 144 CO 0.12 0.26 -0.17 -0.76 0.41 0.00 0.00 173.24 173.10 1s6l s LEU 145 N -1.03 2.56 -0.07 2.44 2.01 0.60 -2.61 118.68 122.58 1s6l s LEU 145 Ca 0.11 -1.01 0.03 0.00 0.01 0.00 0.00 54.13 53.27 1s6l s LEU 145 Cb -0.10 -0.89 0.00 0.00 0.01 0.00 0.00 46.19 45.22 1s6l s LEU 145 CO 0.01 -0.06 -0.17 -0.69 1.01 0.00 0.00 176.35 176.45 1s6l s VAL 146 N -2.67 1.48 -0.31 -1.59 1.01 -1.26 -1.87 120.40 115.19 1s6l s VAL 146 Ca 0.25 -0.70 -0.05 0.00 0.00 0.00 0.00 61.98 61.49 1s6l s VAL 146 Cb -0.03 -1.31 0.01 0.00 0.00 0.00 0.00 36.38 35.05 1s6l s VAL 146 CO 0.10 0.43 0.15 -0.11 0.00 0.00 0.00 175.10 175.67 1s6l n LEU 147 N 3.54 -7.49 -4.10 3.92 0.00 -1.09 -4.63 117.00 107.14 1s6l n LEU 147 Ca -0.20 1.12 -0.36 0.00 0.00 0.00 0.00 56.01 56.56 1s6l n LEU 147 Cb 0.52 -3.17 -0.06 0.00 0.00 0.00 0.00 43.42 40.72 1s6l n LEU 147 CO 0.26 -2.81 1.83 -0.81 0.00 0.00 0.00 177.39 175.86 1s6l n PRO 148 N 0.52 1.62 -3.56 1.96 -0.04 -1.26 -4.91 135.00 129.33 1s6l n PRO 148 Ca 0.02 -2.19 -0.20 0.00 -0.04 0.00 0.00 63.50 61.09 1s6l n PRO 148 Cb 0.16 -3.32 -0.02 0.00 -0.04 0.00 0.00 33.50 30.28 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 5.64 2.77 -0.03 0.54 -1.52 -1.26 -5.04 119.66 120.75 1s6l s GLN 149 Ca 0.62 -1.29 0.12 0.00 -1.95 0.00 0.00 55.36 52.86 1s6l s GLN 149 Cb 0.07 -2.56 -0.18 0.00 -0.22 0.00 0.00 33.01 30.12 1s6l s GLN 149 CO 0.12 -0.04 0.23 0.39 -0.25 0.00 0.00 175.29 175.74 1s6l n GLU 150 N -1.54 0.67 0.00 2.91 4.71 -1.26 -4.88 120.64 121.24 1s6l n GLU 150 Ca 0.01 -0.09 0.00 0.00 -0.01 0.00 0.00 57.16 57.07 1s6l n GLU 150 Cb 0.60 -1.29 0.00 0.00 -1.01 0.00 0.00 31.44 29.74 1s6l n GLU 150 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1s6l n ALA 151 N -2.00 0.07 -0.97 0.62 0.00 -1.26 -5.10 120.51 111.87 1s6l n ALA 151 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.39 1s6l n ALA 151 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.86 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 -1.85 0.00 -2.56 0.00 0.00 -1.26 -4.89 120.51 109.95 1s6l n ALA 152 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.24 1s6l n ALA 152 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1s6l n ALA 152 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1s6l n ASP 153 N -2.89 -5.72 0.04 0.00 8.00 -1.26 -4.89 116.55 109.83 1s6l n ASP 153 Ca 0.00 -0.10 -0.11 0.00 0.71 0.00 0.00 54.79 55.29 1s6l n ASP 153 Cb 0.00 -4.69 -0.13 0.00 -0.02 0.00 0.00 41.12 36.28 1s6l n ASP 153 CO 0.00 0.00 0.00 -0.37 -0.39 0.00 0.00 177.20 176.44 1s6l h VAL 154 N -0.41 1.24 0.00 2.53 -1.51 -1.99 -3.47 116.25 112.63 1s6l h VAL 154 Ca -0.48 -2.97 0.00 0.00 -1.23 0.00 0.00 66.70 62.03 1s6l h VAL 154 Cb 1.35 2.68 0.00 0.00 -2.13 0.00 0.00 31.29 33.19 1s6l h VAL 154 CO 0.55 0.77 0.00 -1.14 -1.23 0.00 0.00 177.57 176.52 1s6l n ARG 155 N -3.30 0.00 -2.79 5.19 0.00 -1.26 -5.04 116.66 109.46 1s6l n ARG 155 Ca -0.11 0.00 -0.10 0.00 -0.00 0.00 0.00 57.85 57.64 1s6l n ARG 155 Cb 1.01 0.00 0.05 0.00 0.00 0.00 0.00 32.46 33.52 1s6l n ARG 155 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.63 178.57 1s6l n GLN 156 N -1.01 0.82 -0.61 -0.14 0.00 -1.26 -5.15 117.38 110.03 1s6l n GLN 156 Ca 0.00 -1.91 -0.17 0.00 -0.00 0.00 0.00 57.00 54.92 1s6l n GLN 156 Cb 0.00 -1.37 0.14 0.00 0.00 0.00 0.00 30.24 29.01 1s6l n GLN 156 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.06 175.93 1s6l n SER 157 N 1.36 -1.50 -1.12 1.69 3.41 -1.26 -4.98 113.62 111.22 1s6l n SER 157 Ca 0.10 -0.90 -0.04 0.00 -0.26 0.00 0.00 58.87 57.78 1s6l n SER 157 Cb 0.64 -0.56 0.20 0.00 -0.26 0.00 0.00 64.21 64.23 1s6l n SER 157 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1s6l n PHE 158 N -3.76 1.00 0.47 7.33 3.72 -1.26 -4.62 117.46 120.34 1s6l n PHE 158 Ca 0.08 -1.60 0.13 0.00 -0.05 0.00 0.00 57.45 56.01 1s6l n PHE 158 Cb 0.33 -0.48 0.43 0.00 -0.94 0.00 0.00 39.48 38.82 1s6l n PHE 158 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1s6l n HIS 161 N 0.48 3.06 -3.54 0.00 -0.00 -1.09 -4.19 115.22 109.94 1s6l n HIS 161 Ca 0.18 -2.51 -0.41 0.00 -0.00 0.00 0.00 57.72 54.98 1s6l n HIS 161 Cb 0.41 -1.12 -0.11 0.00 -0.00 0.00 0.00 29.99 29.18 1s6l n HIS 161 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.34 176.42 1s6l s VAL 162 N -5.07 5.10 0.40 1.59 1.01 -1.26 -4.16 120.40 118.00 1s6l s VAL 162 Ca 0.54 -0.42 0.07 0.00 0.00 0.00 0.00 61.98 62.17 1s6l s VAL 162 Cb 0.45 -3.69 -0.06 0.00 0.00 0.00 0.00 36.38 33.07 1s6l s VAL 162 CO -0.32 -0.09 0.08 -1.00 0.00 0.00 0.00 175.10 173.77 1s6l s HIS 163 N 1.68 2.56 0.18 5.22 3.76 -1.07 0.72 115.29 128.33 1s6l s HIS 163 Ca 0.05 -0.60 0.11 0.00 -0.15 0.00 0.00 55.06 54.47 1s6l s HIS 163 Cb -0.18 -1.81 -0.04 0.00 1.11 0.00 0.00 32.58 31.66 1s6l s HIS 163 CO 0.09 0.34 -0.21 -0.06 -0.85 0.00 0.00 174.74 174.05 1s6l s PHE 164 N -2.63 2.38 -0.02 1.40 0.40 -1.26 0.11 117.98 118.35 1s6l s PHE 164 Ca 0.38 -0.33 0.02 0.00 -0.60 0.00 0.00 56.93 56.40 1s6l s PHE 164 Cb 0.06 -1.19 0.00 0.00 0.51 0.00 0.00 43.02 42.39 1s6l s PHE 164 CO 0.20 0.48 -0.09 -0.06 0.70 0.00 0.00 175.22 176.45 1s6l s PHE 165 N -1.58 0.90 0.58 0.36 0.40 0.57 -2.26 117.98 116.95 1s6l s PHE 165 Ca 0.21 -0.22 0.38 0.00 -0.60 0.00 0.00 56.93 56.69 1s6l s PHE 165 Cb -0.08 -0.64 1.36 0.00 0.51 0.00 0.00 43.02 44.16 1s6l s PHE 165 CO 0.10 -0.09 1.51 0.00 0.70 0.00 0.00 175.22 177.44 1s6l h ALA 166 N 6.36 3.30 -2.55 5.36 0.00 -1.94 0.91 119.26 130.70 1s6l h ALA 166 Ca -0.33 -0.05 0.14 0.00 0.00 0.00 0.00 54.91 54.67 1s6l h ALA 166 Cb 1.17 0.10 -0.05 0.00 0.00 0.00 0.00 17.79 19.01 1s6l h ALA 166 CO 0.49 -1.93 0.46 -1.12 0.00 0.00 0.00 179.25 177.15 1s6l s SER 167 N -3.94 -0.11 0.25 0.00 0.01 -1.26 -3.65 113.70 105.01 1s6l s SER 167 Ca -0.04 -0.60 0.03 0.00 1.31 0.00 0.00 55.95 56.65 1s6l s SER 167 Cb 0.20 0.57 0.31 0.00 0.21 0.00 0.00 66.02 67.31 1s6l s SER 167 CO 0.68 -1.08 1.62 0.58 0.41 0.00 0.00 173.24 175.45 1s6l h VAL 168 N 2.00 1.33 -0.13 3.43 2.07 -1.83 0.88 116.25 123.99 1s6l h VAL 168 Ca -0.26 -1.67 -0.20 0.00 0.82 0.00 0.00 66.70 65.40 1s6l h VAL 168 Cb 1.23 1.73 0.00 0.00 -1.52 0.00 0.00 31.29 32.73 1s6l h VAL 168 CO 0.30 0.50 -0.73 -0.65 0.02 0.00 0.00 177.57 177.02 1s6l h PRO 169 N 0.28 0.60 0.06 1.57 0.11 -1.95 0.77 132.00 133.45 1s6l h PRO 169 Ca 0.02 -0.47 -0.28 0.00 0.11 0.00 0.00 66.00 65.38 1s6l h PRO 169 Cb 0.93 0.09 0.03 0.00 0.11 0.00 0.00 31.00 32.16 1s6l h PRO 169 CO 0.08 1.10 -1.12 1.15 -0.21 0.00 0.00 178.00 178.99 1s6l h THR 170 N 0.41 1.29 -0.48 -1.15 2.02 -1.94 5.07 112.91 118.14 1s6l h THR 170 Ca -0.03 -2.35 -0.01 0.00 0.77 0.00 0.00 66.41 64.79 1s6l h THR 170 Cb 1.32 2.56 -0.02 0.00 -1.74 0.00 0.00 68.15 70.27 1s6l h THR 170 CO 0.14 0.72 0.28 0.00 0.37 0.00 0.00 175.52 177.02 1s6l h ALA 171 N 0.33 0.61 0.00 6.16 0.00 0.85 1.21 119.26 128.42 1s6l h ALA 171 Ca -0.16 -0.07 -0.14 0.00 0.00 0.00 0.00 54.91 54.53 1s6l h ALA 171 Cb 1.79 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 19.37 1s6l h ALA 171 CO 0.22 0.11 -0.68 0.93 0.00 0.00 0.00 179.25 179.83 1s6l h GLU 172 N 0.63 0.00 0.27 0.00 5.08 0.66 0.04 114.58 121.26 1s6l h GLU 172 Ca 0.17 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.52 1s6l h GLU 172 Cb 0.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.27 1s6l h GLU 172 CO -0.03 0.68 -0.13 0.22 -1.00 0.00 0.00 179.01 178.75 1s6l h ASP 173 N 0.00 -0.31 0.28 1.42 1.82 1.12 -0.27 116.42 120.47 1s6l h ASP 173 Ca -0.01 -0.21 -0.04 0.00 -0.39 0.00 0.00 57.03 56.38 1s6l h ASP 173 Cb 1.48 0.08 -0.01 0.00 0.68 0.00 0.00 39.33 41.56 1s6l h ASP 173 CO 0.09 0.17 -0.18 -0.25 -1.61 0.00 0.00 179.24 177.45 1s6l h TRP 174 N -0.92 0.00 -0.67 0.28 2.91 0.13 -1.73 115.95 115.96 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 0.50 0.00 -0.03 0.00 -0.51 0.00 0.00 29.16 29.13 1s6l h TRP 174 CO 0.05 0.18 0.12 0.00 -1.03 0.00 0.00 178.44 177.77 1s6l h ALA 175 N 1.82 0.88 -0.82 2.65 0.00 -0.87 -2.43 119.26 120.49 1s6l h ALA 175 Ca -0.00 -0.26 0.16 0.00 0.00 0.00 0.00 54.91 54.80 1s6l h ALA 175 Cb 0.37 -0.25 -0.10 0.00 0.00 0.00 0.00 17.79 17.81 1s6l h ALA 175 CO 0.02 0.64 0.38 1.03 0.00 0.00 0.00 179.25 181.32 1s6l h SER 176 N 1.02 0.40 -0.52 0.00 0.87 -0.08 0.47 113.55 115.71 1s6l h SER 176 Ca 0.20 0.11 -0.08 0.00 -1.23 0.00 0.00 61.79 60.80 1s6l h SER 176 Cb 0.42 0.06 -0.05 0.00 -0.44 0.00 0.00 62.40 62.39 1s6l h SER 176 CO 0.01 0.14 0.10 0.29 -0.53 0.00 0.00 176.83 176.84 1s6l n LYS 177 N -4.95 3.72 -0.76 2.24 5.02 -1.04 -3.95 118.16 118.44 1s6l n LYS 177 Ca 0.17 -2.48 0.05 0.00 -2.02 0.00 0.00 58.31 54.03 1s6l n LYS 177 Cb 0.46 -2.08 0.12 0.00 -0.02 0.00 0.00 35.03 33.51 1s6l n LYS 177 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1s6l n HIS 178 N 0.26 0.00 -2.97 2.13 8.25 0.16 -5.07 115.22 117.98 1s6l n HIS 178 Ca 0.27 -0.99 -0.20 0.00 -0.26 0.00 0.00 57.72 56.54 1s6l n HIS 178 Cb 1.09 -0.19 0.07 0.00 1.12 0.00 0.00 29.99 32.08 1s6l n HIS 178 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 1s6l s GLN 179 N -1.93 2.25 0.00 -0.41 -1.52 -1.15 -4.59 119.66 112.30 1s6l s GLN 179 Ca 0.32 -1.55 0.00 0.00 -1.95 0.00 0.00 55.36 52.18 1s6l s GLN 179 Cb 0.32 -2.61 0.00 0.00 -0.22 0.00 0.00 33.01 30.50 1s6l s GLN 179 CO -0.08 -0.91 0.00 0.41 -0.25 0.00 0.00 175.29 174.46 1s6l n GLY 180 N -2.30 3.06 2.30 3.09 0.00 -1.26 -5.04 105.19 105.03 1s6l n GLY 180 Ca 0.15 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.96 1s6l n GLY 180 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1s6l n LEU 181 N 0.00 0.00 -3.15 0.99 4.77 -1.26 -4.84 117.00 113.51 1s6l n LEU 181 Ca 0.00 -0.70 -0.35 0.00 -0.03 0.00 0.00 56.01 54.92 1s6l n LEU 181 Cb 0.00 -0.69 -0.04 0.00 -2.33 0.00 0.00 43.42 40.36 1s6l n LEU 181 CO 0.00 -2.13 2.89 -0.62 -1.33 0.00 0.00 177.39 176.21 1s6l n GLU 182 N -4.24 3.64 0.00 3.23 1.02 -1.26 -4.82 120.64 118.21 1s6l n GLU 182 Ca 0.10 -2.34 0.00 0.00 -0.02 0.00 0.00 57.16 54.90 1s6l n GLU 182 Cb 0.41 -2.63 0.00 0.00 -0.02 0.00 0.00 31.44 29.20 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 2.92 2.18 3.42 0.62 0.00 -1.26 -3.73 105.19 109.35 1s6l n GLY 183 Ca 0.70 -1.63 0.03 0.00 0.00 0.00 0.00 46.02 45.12 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 -0.05 0.01 0.99 0.20 -1.26 -2.67 118.68 115.90 1s6l s LEU 184 Ca 0.00 0.07 -0.03 0.00 0.69 0.00 0.00 54.13 54.86 1s6l s LEU 184 Cb 0.00 1.06 -0.01 0.00 -0.43 0.00 0.00 46.19 46.81 1s6l s LEU 184 CO 0.00 -0.01 0.04 0.00 -0.29 0.00 0.00 176.35 176.09 1s6l s ALA 185 N 1.51 -0.06 0.25 5.97 0.00 -0.78 -4.96 121.76 123.69 1s6l s ALA 185 Ca -0.04 -0.41 0.05 0.00 0.00 0.00 0.00 51.96 51.56 1s6l s ALA 185 Cb -0.01 0.14 -0.03 0.00 0.00 0.00 0.00 23.12 23.21 1s6l s ALA 185 CO -0.13 -0.18 0.34 0.42 0.00 0.00 0.00 175.76 176.21 1s6l s ILE 186 N -1.46 5.04 0.13 0.00 -1.09 -1.26 -0.29 121.20 122.27 1s6l s ILE 186 Ca -0.15 -1.05 -0.24 0.00 -2.23 0.00 0.00 60.65 56.97 1s6l s ILE 186 Cb -0.09 -3.76 0.07 0.00 -1.58 0.00 0.00 42.46 37.11 1s6l s ILE 186 CO -0.00 -0.32 0.63 0.68 -1.23 0.00 0.00 174.94 174.70 1s6l s VAL 187 N -2.02 0.00 -0.15 2.92 -7.23 0.12 -4.93 120.40 109.11 1s6l s VAL 187 Ca 0.35 0.00 -0.24 0.00 -1.81 0.00 0.00 61.98 60.28 1s6l s VAL 187 Cb -0.09 -1.00 -0.02 0.00 0.56 0.00 0.00 36.38 35.83 1s6l s VAL 187 CO 0.29 0.00 0.75 -0.44 -0.31 0.00 0.00 175.10 175.39 1s6l s SER 188 N -2.60 6.90 0.66 4.85 0.01 -1.26 0.16 113.70 122.41 1s6l s SER 188 Ca 0.00 1.09 0.19 0.00 1.31 0.00 0.00 55.95 58.54 1s6l s SER 188 Cb -0.01 -2.42 1.00 0.00 0.21 0.00 0.00 66.02 64.80 1s6l s SER 188 CO -0.11 -0.31 1.56 1.62 0.41 0.00 0.00 173.24 176.41 1s6l h VAL 189 N 5.10 0.02 -0.36 3.43 3.04 -1.88 1.61 116.25 127.22 1s6l h VAL 189 Ca -0.32 0.00 -0.13 0.00 -1.01 0.00 0.00 66.70 65.23 1s6l h VAL 189 Cb 1.15 0.39 -0.01 0.00 -2.01 0.00 0.00 31.29 30.81 1s6l h VAL 189 CO 0.80 0.00 -0.29 0.45 -1.01 0.00 0.00 177.57 177.52 1s6l h HIS 190 N 0.00 0.98 0.00 3.17 3.86 -1.91 -1.90 115.15 119.36 1s6l h HIS 190 Ca 0.03 -0.28 -0.15 0.00 -1.16 0.00 0.00 60.37 58.82 1s6l h HIS 190 Cb 1.28 -0.21 -0.02 0.00 1.06 0.00 0.00 27.41 29.52 1s6l h HIS 190 CO 0.00 1.06 -0.85 0.93 0.86 0.00 0.00 177.93 179.93 1s6l h GLU 191 N 0.62 0.00 0.00 2.45 5.08 0.17 -3.24 114.58 119.66 1s6l h GLU 191 Ca 0.06 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.38 1s6l h GLU 191 Cb 0.87 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.11 1s6l h GLU 191 CO 0.08 0.56 -0.22 0.00 -1.00 0.00 0.00 179.01 178.43 1s6l h ALA 192 N 1.35 1.14 0.00 3.43 0.00 -0.19 -0.90 119.26 124.09 1s6l h ALA 192 Ca -0.05 -0.20 -0.14 0.00 0.00 0.00 0.00 54.91 54.52 1s6l h ALA 192 Cb 1.54 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.27 1s6l h ALA 192 CO 0.08 0.27 -0.75 0.35 0.00 0.00 0.00 179.25 179.20 1s6l h PHE 193 N 0.00 0.00 0.00 0.00 3.04 -1.37 -1.42 116.94 117.18 1s6l h PHE 193 Ca -0.00 0.00 -0.23 0.00 3.98 0.00 0.00 57.97 61.71 1s6l h PHE 193 Cb 0.61 0.00 -0.04 0.00 2.56 0.00 0.00 35.95 39.08 1s6l h PHE 193 CO 0.00 0.62 -1.21 0.78 -2.02 0.00 0.00 178.31 176.48 1s6l h GLY 194 N 3.43 0.00 1.79 2.40 0.00 -1.48 0.17 103.07 109.38 1s6l h GLY 194 Ca -0.03 -0.01 -0.17 0.00 0.00 0.00 0.00 47.33 47.12 1s6l h GLY 194 CO 0.08 0.01 -0.90 1.41 0.00 0.00 0.00 176.54 177.13 1s6l h LEU 195 N 0.00 0.00 0.00 3.11 3.38 -1.23 -1.57 115.31 119.00 1s6l h LEU 195 Ca -0.09 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.71 1s6l h LEU 195 Cb 1.84 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.57 1s6l h LEU 195 CO 0.12 0.74 -1.08 1.23 0.09 0.00 0.00 178.44 179.53 1s6l h GLY 196 N 3.34 0.00 1.81 0.83 0.00 -1.28 -3.30 103.07 104.48 1s6l h GLY 196 Ca -0.05 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.17 1s6l h GLY 196 CO 0.09 0.00 -0.65 1.46 0.00 0.00 0.00 176.54 177.44 1s6l h GLN 197 N 0.00 0.00 0.00 4.80 1.08 -0.65 -3.24 115.11 117.10 1s6l h GLN 197 Ca -0.10 0.00 -0.04 0.00 -1.45 0.00 0.00 58.65 57.07 1s6l h GLN 197 Cb 1.60 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 29.03 1s6l h GLN 197 CO 0.07 0.44 -0.17 1.49 -0.95 0.00 0.00 178.83 179.71 1s6l h GLU 198 N 0.00 0.00 -0.86 1.46 4.22 -1.36 -3.15 114.58 114.89 1s6l h GLU 198 Ca -0.03 0.00 0.15 0.00 0.08 0.00 0.00 59.36 59.56 1s6l h GLU 198 Cb 1.40 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 30.55 1s6l h GLU 198 CO 0.06 0.17 0.45 0.35 -2.18 0.00 0.00 179.01 177.85 1s6l h PHE 199 N 0.00 0.78 0.00 0.92 3.04 -1.65 -0.66 116.94 119.37 1s6l h PHE 199 Ca -0.00 0.03 -0.21 0.00 3.98 0.00 0.00 57.97 61.77 1s6l h PHE 199 Cb 0.69 -0.22 -0.03 0.00 2.56 0.00 0.00 35.95 38.96 1s6l h PHE 199 CO 0.00 0.18 -1.04 -0.97 -2.02 0.00 0.00 178.31 174.46 1s6l h ASN 200 N 0.62 0.00 -0.49 0.41 -1.24 -1.77 -3.27 115.58 109.84 1s6l h ASN 200 Ca 0.47 0.00 0.14 0.00 0.71 0.00 0.00 56.30 57.63 1s6l h ASN 200 Cb 0.68 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.71 1s6l h ASN 200 CO -0.37 0.96 0.42 -0.09 -1.29 0.00 0.00 177.43 177.06 1s6l h ARG 201 N 0.00 0.00 -0.20 6.67 1.12 -1.13 0.10 114.38 120.94 1s6l h ARG 201 Ca -0.04 0.00 0.06 0.00 -1.11 0.00 0.00 59.98 58.89 1s6l h ARG 201 Cb 1.76 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 31.72 1s6l h ARG 201 CO 0.12 0.00 0.14 1.25 -3.11 0.00 0.00 179.97 178.37 1s6l h HIS 202 N 0.00 0.00 0.00 2.20 2.76 -1.56 -0.73 115.15 117.81 1s6l h HIS 202 Ca 0.23 0.00 -0.23 0.00 -2.20 0.00 0.00 60.37 58.18 1s6l h HIS 202 Cb 1.08 0.00 -0.03 0.00 1.55 0.00 0.00 27.41 30.00 1s6l h HIS 202 CO 0.00 0.00 -1.14 1.25 -1.30 0.00 0.00 177.93 176.74 1s6l h LEU 203 N 0.00 0.00 -1.24 0.26 5.85 -1.03 -3.29 115.31 115.85 1s6l h LEU 203 Ca 0.09 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.82 1s6l h LEU 203 Cb 0.38 -0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.37 1s6l h LEU 203 CO -0.00 1.00 0.47 0.25 -0.34 0.00 0.00 178.44 179.82 1s6l h LEU 204 N 0.00 0.86 -0.42 2.25 7.12 -1.12 -3.48 115.31 120.52 1s6l h LEU 204 Ca -0.06 -0.03 0.36 0.00 0.13 0.00 0.00 57.88 58.27 1s6l h LEU 204 Cb 1.82 -0.22 -0.14 0.00 -0.53 0.00 0.00 40.66 41.59 1s6l h LEU 204 CO 0.12 0.64 -0.86 0.00 -0.13 0.00 0.00 178.44 178.21 1s6l n GLN 205 N -4.41 -3.01 -3.89 1.25 1.13 -1.10 -5.05 117.38 102.30 1s6l n GLN 205 Ca 0.08 2.24 -0.09 0.00 -1.94 0.00 0.00 57.00 57.29 1s6l n GLN 205 Cb 0.05 -3.59 -0.01 0.00 0.11 0.00 0.00 30.24 26.79 1s6l n GLN 205 CO 0.00 0.00 0.00 -0.08 -1.44 0.00 0.00 177.06 175.54 1s6l s THR 206 N -3.18 0.00 -0.42 5.09 -1.32 -1.26 -5.05 115.64 109.50 1s6l s THR 206 Ca 0.00 -1.13 -0.15 0.00 -1.21 0.00 0.00 61.69 59.20 1s6l s THR 206 Cb 0.00 -2.40 0.02 0.00 -1.51 0.00 0.00 72.50 68.61 1s6l s THR 206 CO 0.00 0.00 0.55 0.23 -2.21 0.00 0.00 174.62 173.19 1s6l n MET 207 N -0.48 -2.44 -4.43 7.08 2.81 -1.26 -5.04 117.12 113.36 1s6l n MET 207 Ca -0.05 2.16 -0.30 0.00 -1.81 0.00 0.00 57.70 57.70 1s6l n MET 207 Cb 0.60 -5.62 -0.11 0.00 -0.71 0.00 0.00 33.22 27.38 1s6l n MET 207 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 1s6l s SER 208 N -2.52 4.02 -0.50 7.83 1.04 -1.26 -5.03 113.70 117.28 1s6l s SER 208 Ca 0.23 -0.44 0.02 0.00 0.48 0.00 0.00 55.95 56.23 1s6l s SER 208 Cb -0.06 -0.67 0.55 0.00 0.10 0.00 0.00 66.02 65.93 1s6l s SER 208 CO 0.76 0.21 1.92 -0.24 0.98 0.00 0.00 173.24 176.88 1s6l n SER 209 N 1.11 5.14 -1.48 7.02 2.88 -1.26 -4.14 113.62 122.88 1s6l n SER 209 Ca -0.15 -3.57 -0.01 0.00 -1.33 0.00 0.00 58.87 53.80 1s6l n SER 209 Cb 0.52 -0.88 -0.01 0.00 -0.75 0.00 0.00 64.21 63.10 1s6l n SER 209 CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67 1s6l n ARG 210 N -0.93 0.24 0.22 -1.46 3.00 -1.26 -4.97 116.66 111.49 1s6l n ARG 210 Ca 0.57 -1.64 -0.09 0.00 -0.00 0.00 0.00 57.85 56.69 1s6l n ARG 210 Cb 1.25 0.12 -0.04 0.00 0.00 0.00 0.00 32.46 33.78 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 5.83 0.00 0.00 5.15 2.02 -2.02 -3.56 112.91 120.33 1s6l h THR 211 Ca -0.38 -0.28 0.00 0.00 0.77 0.00 0.00 66.41 66.52 1s6l h THR 211 Cb 1.60 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 68.01 1s6l h THR 211 CO -0.08 0.00 0.00 -0.81 0.37 0.00 0.00 175.52 175.00