#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2q4s s LEU 6 N 0.00 3.65 0.28 -4.62 1.43 -1.26 -5.01 118.68 113.15 2q4s s LEU 6 Ca 0.00 -0.27 0.04 0.00 -1.03 0.00 0.00 54.13 52.87 2q4s s LEU 6 Cb 0.00 -2.85 -0.03 0.00 0.03 0.00 0.00 46.19 43.34 2q4s s LEU 6 CO 0.00 -1.50 0.42 -0.76 0.23 0.00 0.00 176.35 174.74 2q4s s LEU 7 N 4.78 4.21 0.11 1.79 1.43 -1.26 -5.05 118.68 124.69 2q4s s LEU 7 Ca 0.35 0.15 -0.31 0.00 -1.03 0.00 0.00 54.13 53.29 2q4s s LEU 7 Cb -0.10 -2.97 -0.08 0.00 0.03 0.00 0.00 46.19 43.07 2q4s s LEU 7 CO 0.20 -0.16 1.47 -0.75 0.23 0.00 0.00 176.35 177.34 2q4s s LYS 8 N -4.09 4.27 0.31 1.70 2.20 -1.26 -4.95 119.74 117.92 2q4s s LYS 8 Ca 0.36 2.17 -0.29 0.00 -0.36 0.00 0.00 55.97 57.85 2q4s s LYS 8 Cb -0.09 -3.31 -0.10 0.00 -1.51 0.00 0.00 37.83 32.82 2q4s s LYS 8 CO 0.31 -0.54 1.41 -2.14 -0.36 0.00 0.00 175.35 174.03 2q4s s PRO 9 N 1.47 4.26 0.10 4.03 0.02 -1.26 -4.92 135.00 138.70 2q4s s PRO 9 Ca 0.67 2.34 0.03 0.00 0.02 0.00 0.00 61.00 64.06 2q4s s PRO 9 Cb -0.38 -3.06 -0.24 0.00 0.02 0.00 0.00 34.50 30.84 2q4s s PRO 9 CO 0.30 -0.36 1.20 0.00 -0.33 0.00 0.00 177.00 177.81 2q4s h ARG 10 N 3.99 0.10 0.00 5.54 3.08 -1.92 -3.43 114.38 121.73 2q4s h ARG 10 Ca -0.48 -0.17 -0.11 0.00 0.07 0.00 0.00 59.98 59.29 2q4s h ARG 10 Cb 1.23 0.06 -0.02 0.00 0.08 0.00 0.00 29.97 31.32 2q4s h ARG 10 CO 0.70 1.06 0.07 0.25 -1.07 0.00 0.00 179.97 180.99 2q4s n THR 11 N -3.40 0.00 -0.30 2.04 -2.24 -1.26 -4.97 114.28 104.15 2q4s n THR 11 Ca -0.04 -1.07 -0.05 0.00 -2.27 0.00 0.00 64.05 60.62 2q4s n THR 11 Cb 0.98 0.83 0.07 0.00 -2.10 0.00 0.00 70.33 70.10 2q4s n THR 11 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 2q4s h LEU 12 N 0.00 1.07 -0.83 3.22 5.85 -1.92 -0.73 115.31 121.97 2q4s h LEU 12 Ca -0.25 -0.15 -0.02 0.00 0.84 0.00 0.00 57.88 58.31 2q4s h LEU 12 Cb 0.98 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.69 2q4s h LEU 12 CO 0.32 0.92 0.44 0.00 -0.34 0.00 0.00 178.44 179.78 2q4s h ALA 13 N 1.19 1.07 -0.20 1.25 0.00 -1.96 -0.45 119.26 120.16 2q4s h ALA 13 Ca 0.27 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 2q4s h ALA 13 Cb 0.14 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 2q4s h ALA 13 CO -0.03 0.59 0.10 0.22 0.00 0.00 0.00 179.25 180.13 2q4s h ASP 14 N 1.16 0.26 -0.51 0.00 -0.00 -1.80 -1.50 116.42 114.04 2q4s h ASP 14 Ca 0.29 -0.12 0.09 0.00 -0.00 0.00 0.00 57.03 57.30 2q4s h ASP 14 Cb 0.05 -0.07 -0.08 0.00 -0.00 0.00 0.00 39.33 39.24 2q4s h ASP 14 CO -0.04 0.31 0.08 0.25 -0.00 0.00 0.00 179.24 179.83 2q4s h LEU 15 N 0.20 -0.05 -0.77 2.28 5.85 -0.65 0.09 115.31 122.25 2q4s h LEU 15 Ca 0.07 0.10 0.03 0.00 0.84 0.00 0.00 57.88 58.92 2q4s h LEU 15 Cb 0.11 0.15 -0.05 0.00 0.37 0.00 0.00 40.66 41.25 2q4s h LEU 15 CO -0.01 -0.00 0.49 0.40 -0.34 0.00 0.00 178.44 178.98 2q4s h ILE 16 N 0.21 1.11 -0.44 4.05 2.04 -0.59 0.15 117.51 124.03 2q4s h ILE 16 Ca 0.26 -0.33 0.00 0.00 1.00 0.00 0.00 64.86 65.80 2q4s h ILE 16 Cb 0.37 0.08 -0.02 0.00 -0.74 0.00 0.00 36.82 36.50 2q4s h ILE 16 CO -0.36 0.17 0.29 -0.09 0.00 0.00 0.00 178.15 178.16 2q4s h ARG 17 N 0.95 0.59 -0.48 2.37 2.43 -0.25 -0.60 114.38 119.38 2q4s h ARG 17 Ca 0.31 -0.04 -0.05 0.00 -0.81 0.00 0.00 59.98 59.39 2q4s h ARG 17 Cb 0.03 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.42 2q4s h ARG 17 CO -0.12 0.39 0.08 0.82 -1.51 0.00 0.00 179.97 179.64 2q4s h ILE 18 N 0.60 1.22 -0.43 1.20 2.04 -0.30 -2.62 117.51 119.22 2q4s h ILE 18 Ca 0.16 -0.83 -0.10 0.00 1.00 0.00 0.00 64.86 65.10 2q4s h ILE 18 Cb -0.06 0.77 -0.01 0.00 -0.74 0.00 0.00 36.82 36.78 2q4s h ILE 18 CO -0.03 0.30 -0.11 -0.07 0.00 0.00 0.00 178.15 178.23 2q4s h LEU 19 N 0.71 0.83 -2.21 1.44 3.38 -0.11 -2.34 115.31 117.02 2q4s h LEU 19 Ca 0.15 -0.37 0.01 0.00 0.09 0.00 0.00 57.88 57.77 2q4s h LEU 19 Cb 0.32 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.84 2q4s h LEU 19 CO 0.00 1.01 0.02 0.45 0.09 0.00 0.00 178.44 180.02 2q4s h HIS 20 N 0.65 0.00 -0.14 1.13 3.86 -0.77 -1.41 115.15 118.47 2q4s h HIS 20 Ca 0.11 0.00 -0.17 0.00 -1.16 0.00 0.00 60.37 59.15 2q4s h HIS 20 Cb 0.65 0.00 0.01 0.00 1.06 0.00 0.00 27.41 29.12 2q4s h HIS 20 CO 0.05 0.00 -0.57 0.93 0.86 0.00 0.00 177.93 179.20 2q4s h GLU 21 N 0.00 0.64 0.00 2.45 5.08 -1.22 -2.98 114.58 118.56 2q4s h GLU 21 Ca 0.01 -0.50 0.00 0.00 -1.00 0.00 0.00 59.36 57.88 2q4s h GLU 21 Cb 0.06 0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.41 2q4s h GLU 21 CO -0.00 1.12 0.00 1.28 -1.00 0.00 0.00 179.01 180.41 2q4s n LEU 22 N -4.13 0.00 -0.27 1.33 4.77 -0.60 -2.63 117.00 115.46 2q4s n LEU 22 Ca -0.07 0.48 0.08 0.00 -0.03 0.00 0.00 56.01 56.46 2q4s n LEU 22 Cb 0.64 -0.48 0.13 0.00 -2.33 0.00 0.00 43.42 41.38 2q4s n LEU 22 CO 0.48 -0.21 0.47 0.49 -1.33 0.00 0.00 177.39 177.30 2q4s n PHE 23 N -1.48 0.00 0.21 -1.77 3.72 -0.76 -4.69 117.46 112.70 2q4s n PHE 23 Ca 0.04 -0.94 0.09 0.00 -0.05 0.00 0.00 57.45 56.60 2q4s n PHE 23 Cb 0.18 -0.15 0.41 0.00 -0.94 0.00 0.00 39.48 38.98 2q4s n PHE 23 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2q4s h ALA 24 N 0.21 0.99 -3.53 4.37 0.00 -1.34 -3.45 119.26 116.51 2q4s h ALA 24 Ca -0.01 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.68 2q4s h ALA 24 Cb 1.09 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.84 2q4s h ALA 24 CO 0.00 0.31 0.00 0.41 0.00 0.00 0.00 179.25 179.97 2q4s n GLY 25 N 0.26 1.30 0.01 0.00 0.00 -1.26 -5.04 105.19 100.45 2q4s n GLY 25 Ca 0.00 -2.01 0.11 0.00 0.00 0.00 0.00 46.02 44.12 2q4s n GLY 25 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2q4s n ASP 26 N -2.02 0.76 -4.42 1.61 8.00 -1.26 -4.96 116.55 114.25 2q4s n ASP 26 Ca 0.00 -0.63 -0.26 0.00 0.71 0.00 0.00 54.79 54.61 2q4s n ASP 26 Cb 0.00 0.84 -0.03 0.00 -0.02 0.00 0.00 41.12 41.91 2q4s n ASP 26 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2q4s n GLU 27 N -1.62 0.85 -3.77 -1.24 -0.58 -1.26 -5.14 120.64 107.88 2q4s n GLU 27 Ca 0.04 -3.15 -0.15 0.00 -0.42 0.00 0.00 57.16 53.48 2q4s n GLU 27 Cb 0.36 0.61 -0.16 0.00 -0.57 0.00 0.00 31.44 31.69 2q4s n GLU 27 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 2q4s s VAL 28 N -2.51 -0.06 -0.59 2.62 1.01 -1.26 -4.87 120.40 114.75 2q4s s VAL 28 Ca 0.13 0.21 -0.20 0.00 0.00 0.00 0.00 61.98 62.13 2q4s s VAL 28 Cb -0.01 -0.09 0.09 0.00 0.00 0.00 0.00 36.38 36.37 2q4s s VAL 28 CO 0.08 0.09 0.73 0.21 0.00 0.00 0.00 175.10 176.21 2q4s s ASN 29 N 1.05 6.19 0.09 3.32 3.84 -1.26 -4.95 114.94 123.23 2q4s s ASN 29 Ca -0.09 -1.27 -0.26 0.00 0.21 0.00 0.00 52.86 51.45 2q4s s ASN 29 Cb -0.13 -2.32 -0.13 0.00 -0.55 0.00 0.00 41.25 38.13 2q4s s ASN 29 CO -0.03 -1.12 1.68 0.58 -2.79 0.00 0.00 177.10 175.42 2q4s h VAL 30 N 5.92 0.68 -0.26 -5.21 2.07 -1.99 -0.89 116.25 116.58 2q4s h VAL 30 Ca -0.29 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.21 2q4s h VAL 30 Cb 1.09 0.68 -0.01 0.00 -1.52 0.00 0.00 31.29 31.52 2q4s h VAL 30 CO 1.09 0.00 0.06 -0.33 0.02 0.00 0.00 177.57 178.41 2q4s h GLU 31 N -0.34 0.36 -0.08 1.57 4.39 -1.98 0.13 114.58 118.62 2q4s h GLU 31 Ca -0.01 -0.05 -0.06 0.00 0.34 0.00 0.00 59.36 59.58 2q4s h GLU 31 Cb 0.31 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 28.89 2q4s h GLU 31 CO -0.02 0.34 -0.19 0.93 -1.16 0.00 0.00 179.01 178.91 2q4s h GLU 32 N 0.36 0.28 -0.88 2.33 5.08 -1.93 -0.56 114.58 119.27 2q4s h GLU 32 Ca 0.09 -0.19 -0.02 0.00 -1.00 0.00 0.00 59.36 58.25 2q4s h GLU 32 Cb 0.14 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.38 2q4s h GLU 32 CO -0.00 0.79 0.48 0.28 -1.00 0.00 0.00 179.01 179.55 2q4s h VAL 33 N -0.19 1.25 -0.72 3.13 2.07 -0.68 -0.41 116.25 120.70 2q4s h VAL 33 Ca 0.00 -0.63 -0.06 0.00 0.82 0.00 0.00 66.70 66.83 2q4s h VAL 33 Cb 0.79 0.07 -0.03 0.00 -1.52 0.00 0.00 31.29 30.60 2q4s h VAL 33 CO 0.04 0.28 0.21 -0.61 0.02 0.00 0.00 177.57 177.52 2q4s h GLN 34 N 1.22 1.14 -0.79 1.57 4.15 -0.79 -2.01 115.11 119.59 2q4s h GLN 34 Ca 0.31 -0.25 -0.04 0.00 0.77 0.00 0.00 58.65 59.43 2q4s h GLN 34 Cb 0.03 -0.16 -0.04 0.00 0.21 0.00 0.00 27.48 27.52 2q4s h GLN 34 CO -0.05 0.98 0.32 0.00 -1.93 0.00 0.00 178.83 178.15 2q4s h ALA 35 N 1.10 1.03 -0.02 3.38 0.00 -0.03 -0.77 119.26 123.95 2q4s h ALA 35 Ca 0.23 -0.19 -0.18 0.00 0.00 0.00 0.00 54.91 54.77 2q4s h ALA 35 Cb 0.33 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2q4s h ALA 35 CO -0.00 0.65 -0.79 -0.24 0.00 0.00 0.00 179.25 178.87 2q4s h VAL 36 N 1.15 1.45 -0.38 0.00 3.04 -0.97 -1.76 116.25 118.79 2q4s h VAL 36 Ca 0.27 -2.40 -0.04 0.00 -1.01 0.00 0.00 66.70 63.51 2q4s h VAL 36 Cb 0.21 2.31 -0.01 0.00 -2.01 0.00 0.00 31.29 31.78 2q4s h VAL 36 CO -0.02 0.70 0.06 -0.07 -1.01 0.00 0.00 177.57 177.23 2q4s h LEU 37 N 0.14 0.61 -1.38 3.16 3.38 -1.16 -2.28 115.31 117.78 2q4s h LEU 37 Ca -0.03 -0.26 -0.05 0.00 0.09 0.00 0.00 57.88 57.62 2q4s h LEU 37 Cb 1.38 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.96 2q4s h LEU 37 CO 0.12 0.71 -0.18 -0.08 0.09 0.00 0.00 178.44 179.11 2q4s h GLU 38 N 0.48 0.19 0.00 1.13 4.81 -1.08 -2.91 114.58 117.19 2q4s h GLU 38 Ca 0.12 -0.05 -0.07 0.00 -0.13 0.00 0.00 59.36 59.23 2q4s h GLU 38 Cb 0.36 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.71 2q4s h GLU 38 CO 0.01 0.37 -0.33 0.00 -0.73 0.00 0.00 179.01 178.32 2q4s h ALA 39 N 1.64 1.13 -2.30 2.92 0.00 -0.76 -3.42 119.26 118.47 2q4s h ALA 39 Ca 0.03 -0.30 -0.55 0.00 0.00 0.00 0.00 54.91 54.09 2q4s h ALA 39 Cb 0.43 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 2q4s h ALA 39 CO 0.03 0.42 0.97 -0.47 0.00 0.00 0.00 179.25 180.19 2q4s s TYR 40 N -3.84 2.44 -0.29 0.00 5.04 -0.99 -4.63 117.35 115.08 2q4s s TYR 40 Ca -0.01 0.53 -0.24 0.00 -2.44 0.00 0.00 57.07 54.91 2q4s s TYR 40 Cb 0.12 -3.78 -0.00 0.00 0.35 0.00 0.00 41.96 38.65 2q4s s TYR 40 CO 0.68 -3.08 0.80 -1.21 -1.34 0.00 0.00 175.55 171.40 2q4s s GLU 41 N 3.28 4.02 0.13 4.97 0.41 -1.26 -4.98 118.70 125.27 2q4s s GLU 41 Ca 0.67 0.67 -0.35 0.00 -0.41 0.00 0.00 54.97 55.56 2q4s s GLU 41 Cb -0.32 -3.71 -0.16 0.00 -1.78 0.00 0.00 34.13 28.17 2q4s s GLU 41 CO 0.26 -0.64 1.32 0.45 -0.49 0.00 0.00 175.26 176.16 2q4s n SER 42 N 6.17 1.80 -3.91 -0.19 2.88 -1.26 -4.94 113.62 114.17 2q4s n SER 42 Ca 0.04 1.12 -0.30 0.00 -1.33 0.00 0.00 58.87 58.40 2q4s n SER 42 Cb 0.48 -1.24 -0.15 0.00 -0.75 0.00 0.00 64.21 62.54 2q4s n SER 42 CO 0.00 0.00 0.00 0.21 -1.23 0.00 0.00 175.04 174.02 2q4s s ASN 43 N 0.37 3.98 0.31 -3.46 3.84 -1.26 -5.03 114.94 113.69 2q4s s ASN 43 Ca 0.79 -1.38 0.08 0.00 0.21 0.00 0.00 52.86 52.56 2q4s s ASN 43 Cb -0.87 -1.17 0.82 0.00 -0.55 0.00 0.00 41.25 39.48 2q4s s ASN 43 CO 0.48 -0.29 1.74 -0.65 -2.79 0.00 0.00 177.10 175.59 2q4s h PRO 44 N 7.94 0.61 -0.04 0.43 0.11 -1.92 -0.86 132.00 138.26 2q4s h PRO 44 Ca -0.15 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.91 2q4s h PRO 44 Cb 1.06 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 32.02 2q4s h PRO 44 CO 0.43 0.41 -0.03 0.00 -0.21 0.00 0.00 178.00 178.60 2q4s h ALA 45 N 1.70 1.88 0.00 -0.75 0.00 -2.01 -0.07 119.26 120.02 2q4s h ALA 45 Ca 0.61 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 55.41 2q4s h ALA 45 Cb 1.09 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 2q4s h ALA 45 CO -0.45 0.09 -0.29 0.93 0.00 0.00 0.00 179.25 179.54 2q4s h GLU 46 N 0.06 0.00 0.00 0.00 5.08 -1.59 -3.33 114.58 114.80 2q4s h GLU 46 Ca 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 2q4s h GLU 46 Cb 0.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.34 2q4s h GLU 46 CO 0.00 0.29 0.00 -2.67 -1.00 0.00 0.00 179.01 175.63 2q4s n TRP 47 N -3.35 0.00 -0.34 4.33 4.27 -0.88 -4.74 117.44 116.74 2q4s n TRP 47 Ca 0.01 -0.09 0.13 0.00 -3.89 0.00 0.00 57.50 53.65 2q4s n TRP 47 Cb 0.51 -0.01 0.31 0.00 -1.36 0.00 0.00 31.31 30.76 2q4s n TRP 47 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2q4s h ALA 48 N 0.00 1.60 -0.99 -1.67 0.00 -1.14 0.21 119.26 117.28 2q4s h ALA 48 Ca 0.00 0.09 0.21 0.00 0.00 0.00 0.00 54.91 55.22 2q4s h ALA 48 Cb 0.11 -0.04 -0.10 0.00 0.00 0.00 0.00 17.79 17.77 2q4s h ALA 48 CO 0.00 -0.11 0.62 1.25 0.00 0.00 0.00 179.25 181.00 2q4s h LEU 49 N 0.68 0.64 0.00 0.00 5.85 -1.85 -1.54 115.31 119.09 2q4s h LEU 49 Ca 0.57 0.09 0.00 0.00 0.84 0.00 0.00 57.88 59.38 2q4s h LEU 49 Cb 0.92 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.93 2q4s h LEU 49 CO -0.41 0.21 -0.62 -1.22 -0.34 0.00 0.00 178.44 176.06 2q4s n TYR 50 N -4.70 0.40 -2.73 1.25 4.01 0.04 -4.63 117.16 110.80 2q4s n TYR 50 Ca 0.23 0.12 -0.43 0.00 -0.16 0.00 0.00 57.90 57.66 2q4s n TYR 50 Cb 0.67 -0.55 -0.01 0.00 -0.31 0.00 0.00 39.34 39.14 2q4s n TYR 50 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2q4s s ALA 51 N -3.13 3.48 -0.40 -0.72 0.00 -0.58 -4.80 121.76 115.61 2q4s s ALA 51 Ca 0.07 -2.98 -0.05 0.00 0.00 0.00 0.00 51.96 49.00 2q4s s ALA 51 Cb 0.14 -4.42 0.09 0.00 0.00 0.00 0.00 23.12 18.94 2q4s s ALA 51 CO 0.72 -3.14 0.20 0.15 0.00 0.00 0.00 175.76 173.69 2q4s s LYS 52 N 3.32 2.26 0.41 0.00 1.02 -1.26 -5.00 119.74 120.49 2q4s s LYS 52 Ca 0.48 -1.64 -0.09 0.00 0.02 0.00 0.00 55.97 54.74 2q4s s LYS 52 Cb 0.01 -3.60 -0.06 0.00 -0.52 0.00 0.00 37.83 33.66 2q4s s LYS 52 CO 0.02 -0.98 0.76 -0.06 -0.92 0.00 0.00 175.35 174.17 2q4s s PHE 53 N 1.25 3.49 0.05 3.18 0.08 -1.26 -4.76 117.98 120.00 2q4s s PHE 53 Ca 0.05 0.98 0.08 0.00 0.12 0.00 0.00 56.93 58.16 2q4s s PHE 53 Cb -0.23 -2.40 -0.03 0.00 -0.57 0.00 0.00 43.02 39.80 2q4s s PHE 53 CO -0.02 -0.13 -0.23 0.34 -0.10 0.00 0.00 175.22 175.09 2q4s s ASP 54 N -3.34 2.70 0.38 1.36 2.15 -1.26 -5.06 116.67 113.60 2q4s s ASP 54 Ca 0.50 -0.55 0.14 0.00 0.43 0.00 0.00 52.55 53.06 2q4s s ASP 54 Cb -0.10 -0.23 0.76 0.00 -0.30 0.00 0.00 42.92 43.05 2q4s s ASP 54 CO 0.34 0.19 1.83 -0.61 -0.17 0.00 0.00 175.17 176.75 2q4s h GLN 55 N 4.79 0.00 0.05 4.34 4.15 -2.00 -3.36 115.11 123.07 2q4s h GLN 55 Ca -0.44 0.00 -0.35 0.00 0.77 0.00 0.00 58.65 58.63 2q4s h GLN 55 Cb 1.16 0.00 -0.05 0.00 0.21 0.00 0.00 27.48 28.80 2q4s h GLN 55 CO 0.43 0.36 -2.11 0.66 -1.93 0.00 0.00 178.83 176.25 2q4s n TYR 56 N -4.04 0.70 -4.11 3.99 4.01 -1.26 -4.95 117.16 111.49 2q4s n TYR 56 Ca -0.02 0.18 -0.15 0.00 -0.16 0.00 0.00 57.90 57.75 2q4s n TYR 56 Cb 0.40 -1.10 -0.05 0.00 -0.31 0.00 0.00 39.34 38.28 2q4s n TYR 56 CO 0.00 0.00 0.00 -0.98 -0.46 0.00 0.00 176.86 175.42 2q4s s ARG 57 N -2.55 1.89 0.56 -0.72 1.70 -1.26 -4.89 118.95 113.69 2q4s s ARG 57 Ca -0.19 -1.79 -0.15 0.00 -0.47 0.00 0.00 55.73 53.12 2q4s s ARG 57 Cb 0.07 0.43 -0.06 0.00 -0.57 0.00 0.00 34.95 34.83 2q4s s ARG 57 CO 0.75 -0.78 1.02 1.52 -1.08 0.00 0.00 175.30 176.74 2q4s s TYR 58 N -3.10 3.30 0.16 5.89 -0.85 -1.26 -4.31 117.35 117.17 2q4s s TYR 58 Ca 0.32 1.46 0.09 0.00 -0.52 0.00 0.00 57.07 58.42 2q4s s TYR 58 Cb -0.00 -2.86 -0.04 0.00 0.38 0.00 0.00 41.96 39.44 2q4s s TYR 58 CO 0.21 -0.69 -0.12 0.95 -1.52 0.00 0.00 175.55 174.38 2q4s s THR 59 N -2.64 3.09 -0.19 -3.49 -4.23 -0.67 -4.95 115.64 102.56 2q4s s THR 59 Ca 0.60 -1.60 -0.02 0.00 -1.18 0.00 0.00 61.69 59.49 2q4s s THR 59 Cb -0.12 -2.49 -0.01 0.00 1.34 0.00 0.00 72.50 71.22 2q4s s THR 59 CO 0.37 -0.04 -0.09 -0.13 -0.54 0.00 0.00 174.62 174.18 2q4s s ARG 60 N -2.59 3.32 -0.19 3.99 0.52 -1.26 -2.01 118.95 120.72 2q4s s ARG 60 Ca 0.23 -0.67 0.01 0.00 -0.52 0.00 0.00 55.73 54.77 2q4s s ARG 60 Cb -0.09 -2.83 0.04 0.00 0.52 0.00 0.00 34.95 32.59 2q4s s ARG 60 CO 0.14 -0.08 -0.11 -0.80 0.02 0.00 0.00 175.30 174.46 2q4s s ASN 61 N 1.12 3.27 0.05 0.23 0.01 0.98 0.53 114.94 121.14 2q4s s ASN 61 Ca 0.01 -0.81 -0.31 0.00 -0.71 0.00 0.00 52.86 51.04 2q4s s ASN 61 Cb -0.14 -1.24 -0.05 0.00 0.41 0.00 0.00 41.25 40.22 2q4s s ASN 61 CO -0.02 -0.12 1.22 -0.22 -1.51 0.00 0.00 177.10 176.44 2q4s s LEU 62 N 1.40 4.36 -0.18 0.60 2.96 -0.19 0.77 118.68 128.39 2q4s s LEU 62 Ca 0.00 2.01 0.05 0.00 -0.22 0.00 0.00 54.13 55.98 2q4s s LEU 62 Cb -0.16 -3.58 -0.15 0.00 0.50 0.00 0.00 46.19 42.81 2q4s s LEU 62 CO -0.09 -0.50 -0.10 0.52 -1.32 0.00 0.00 176.35 174.86 2q4s n VAL 63 N 4.02 1.10 -3.64 1.68 0.31 -0.70 -0.94 118.33 120.17 2q4s n VAL 63 Ca 0.09 -0.50 -0.09 0.00 -0.01 0.00 0.00 64.34 63.83 2q4s n VAL 63 Cb 0.46 -1.00 -0.07 0.00 -0.91 0.00 0.00 33.84 32.32 2q4s n VAL 63 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2q4s s ASP 64 N -5.58 -0.76 0.00 4.52 2.15 -1.10 -4.76 116.67 111.15 2q4s s ASP 64 Ca -0.20 1.33 0.15 0.00 0.43 0.00 0.00 52.55 54.25 2q4s s ASP 64 Cb 0.06 1.33 0.47 0.00 -0.30 0.00 0.00 42.92 44.48 2q4s s ASP 64 CO 0.51 -0.22 1.37 0.00 -0.17 0.00 0.00 175.17 176.66 2q4s n GLN 65 N 3.39 1.87 -4.12 4.34 6.02 -1.26 -0.66 117.38 126.95 2q4s n GLN 65 Ca -0.17 -1.33 -0.34 0.00 -0.01 0.00 0.00 57.00 55.15 2q4s n GLN 65 Cb 0.57 -1.34 -0.01 0.00 1.02 0.00 0.00 30.24 30.48 2q4s n GLN 65 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2q4s n GLY 66 N 1.13 -0.44 3.05 1.08 0.00 -1.13 -0.88 105.19 108.01 2q4s n GLY 66 Ca 0.14 0.15 -0.16 0.00 0.00 0.00 0.00 46.02 46.16 2q4s n GLY 66 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2q4s n ASN 67 N -2.73 -2.47 0.00 1.61 4.13 -1.26 0.14 115.26 114.68 2q4s n ASN 67 Ca 0.03 -0.08 0.00 0.00 1.68 0.00 0.00 54.58 56.21 2q4s n ASN 67 Cb 0.52 -2.13 0.00 0.00 -1.54 0.00 0.00 39.78 36.62 2q4s n ASN 67 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2q4s n GLY 68 N -0.84 1.59 0.14 7.41 0.00 -0.06 -4.91 105.19 108.52 2q4s n GLY 68 Ca -0.01 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.05 2q4s n GLY 68 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2q4s h LYS 69 N 2.99 0.00 -2.66 1.61 1.79 -0.44 -3.42 116.57 116.43 2q4s h LYS 69 Ca 0.00 0.00 0.07 0.00 -2.18 0.00 0.00 60.65 58.54 2q4s h LYS 69 Cb 0.00 0.00 -0.11 0.00 -1.58 0.00 0.00 32.23 30.54 2q4s h LYS 69 CO 0.00 0.35 0.35 -0.59 -1.08 0.00 0.00 179.45 178.48 2q4s s PHE 70 N -3.02 -0.36 -0.42 -1.35 -0.12 -1.25 -4.20 117.98 107.27 2q4s s PHE 70 Ca 0.03 0.12 -0.02 0.00 -0.05 0.00 0.00 56.93 57.01 2q4s s PHE 70 Cb 0.08 0.59 0.11 0.00 -0.63 0.00 0.00 43.02 43.17 2q4s s PHE 70 CO 0.75 -0.81 0.20 -0.80 -0.05 0.00 0.00 175.22 174.52 2q4s s ASN 71 N -2.72 5.20 0.57 1.98 0.01 -0.89 -2.85 114.94 116.24 2q4s s ASN 71 Ca 0.06 -2.10 -0.11 0.00 -0.71 0.00 0.00 52.86 50.00 2q4s s ASN 71 Cb -0.02 -1.81 -0.05 0.00 0.41 0.00 0.00 41.25 39.79 2q4s s ASN 71 CO -0.06 -0.52 0.97 -0.22 -1.51 0.00 0.00 177.10 175.76 2q4s s LEU 72 N 1.03 3.38 -0.04 0.60 2.96 0.16 -3.25 118.68 123.52 2q4s s LEU 72 Ca 0.09 1.34 -0.01 0.00 -0.22 0.00 0.00 54.13 55.32 2q4s s LEU 72 Cb -0.22 -4.35 0.03 0.00 0.50 0.00 0.00 46.19 42.15 2q4s s LEU 72 CO -0.04 -0.76 0.09 -0.63 -1.32 0.00 0.00 176.35 173.68 2q4s s ILE 74 N -3.00 -0.05 -0.12 6.68 1.01 0.23 -1.72 121.20 124.23 2q4s s ILE 74 Ca 0.54 0.19 -0.02 0.00 0.00 0.00 0.00 60.65 61.36 2q4s s ILE 74 Cb -0.11 -0.16 -0.03 0.00 0.01 0.00 0.00 42.46 42.17 2q4s s ILE 74 CO 0.49 0.08 -0.04 -0.76 0.00 0.00 0.00 174.94 174.71 2q4s s LEU 75 N 1.10 3.30 -0.19 2.97 1.02 0.18 -0.01 118.68 127.04 2q4s s LEU 75 Ca -0.09 -0.04 -0.01 0.00 0.02 0.00 0.00 54.13 54.01 2q4s s LEU 75 Cb -0.12 -1.77 0.01 0.00 0.02 0.00 0.00 46.19 44.33 2q4s s LEU 75 CO -0.04 0.26 -0.15 0.00 0.02 0.00 0.00 176.35 176.45 2q4s s TRP 77 N 1.25 3.21 1.18 0.00 0.52 0.32 -1.67 118.94 123.74 2q4s s TRP 77 Ca 0.03 -1.62 -0.18 0.00 0.02 0.00 0.00 56.10 54.35 2q4s s TRP 77 Cb -0.14 -2.15 0.27 0.00 -1.15 0.00 0.00 33.47 30.31 2q4s s TRP 77 CO -0.07 -0.75 1.11 0.20 0.02 0.00 0.00 176.95 177.45 2q4s s GLY 78 N 1.32 1.58 0.04 0.98 0.00 -1.26 0.16 107.32 110.15 2q4s s GLY 78 Ca -0.03 -0.87 -0.30 0.00 0.00 0.00 0.00 44.72 43.52 2q4s s GLY 78 CO -0.01 -0.02 1.68 -0.54 0.00 0.00 0.00 173.10 174.22 2q4s s GLU 79 N -5.34 4.19 0.00 2.90 8.01 -1.26 -2.75 118.70 124.45 2q4s s GLU 79 Ca 0.70 2.33 0.00 0.00 0.01 0.00 0.00 54.97 58.01 2q4s s GLU 79 Cb -0.11 -3.72 0.00 0.00 -4.31 0.00 0.00 34.13 25.99 2q4s s GLU 79 CO 0.56 -0.78 0.00 0.41 0.01 0.00 0.00 175.26 175.47 2q4s n GLY 80 N 4.07 0.73 3.82 -1.39 0.00 0.15 -4.97 105.19 107.60 2q4s n GLY 80 Ca 0.16 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.85 2q4s n GLY 80 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2q4s s HIS 81 N -2.83 3.33 0.16 1.61 3.76 -1.11 -4.84 115.29 115.38 2q4s s HIS 81 Ca 0.00 1.58 -0.15 0.00 -0.15 0.00 0.00 55.06 56.33 2q4s s HIS 81 Cb 0.00 -2.82 0.02 0.00 1.11 0.00 0.00 32.58 30.89 2q4s s HIS 81 CO 0.00 -0.07 0.43 0.20 -0.85 0.00 0.00 174.74 174.44 2q4s s GLY 82 N -2.16 -0.06 0.64 -2.22 0.00 -1.26 -1.39 107.32 100.87 2q4s s GLY 82 Ca 0.61 -0.28 -0.03 0.00 0.00 0.00 0.00 44.72 45.01 2q4s s GLY 82 CO 0.14 -0.39 0.88 -1.14 0.00 0.00 0.00 173.10 172.59 2q4s n SER 83 N -0.27 0.91 -4.31 1.64 3.41 -0.98 -4.86 113.62 109.16 2q4s n SER 83 Ca -0.12 -1.83 -0.36 0.00 -0.26 0.00 0.00 58.87 56.30 2q4s n SER 83 Cb 0.63 -0.60 -0.13 0.00 -0.26 0.00 0.00 64.21 63.85 2q4s n SER 83 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2q4s s SER 84 N -4.49 4.74 -0.49 4.04 0.01 -1.26 -4.82 113.70 111.43 2q4s s SER 84 Ca 0.56 -0.62 -0.14 0.00 1.31 0.00 0.00 55.95 57.06 2q4s s SER 84 Cb -0.03 -1.80 -0.11 0.00 0.21 0.00 0.00 66.02 64.29 2q4s s SER 84 CO 0.38 -0.12 1.30 -0.38 0.41 0.00 0.00 173.24 174.83 2q4s n ILE 85 N 4.81 0.00 -4.60 1.44 5.41 -1.25 -4.56 119.36 120.61 2q4s n ILE 85 Ca -0.16 -0.03 -0.28 0.00 1.00 0.00 0.00 62.75 63.28 2q4s n ILE 85 Cb 0.49 -0.22 -0.08 0.00 -0.71 0.00 0.00 39.64 39.12 2q4s n ILE 85 CO 0.00 0.00 0.00 -1.38 0.00 0.00 0.00 176.55 175.17 2q4s s HIS 86 N 3.95 1.82 0.00 1.39 -3.43 -0.55 0.53 115.29 118.99 2q4s s HIS 86 Ca 0.67 -1.18 0.00 0.00 -0.80 0.00 0.00 55.06 53.75 2q4s s HIS 86 Cb -0.60 -1.31 0.00 0.00 -1.43 0.00 0.00 32.58 29.24 2q4s s HIS 86 CO 0.25 -0.13 0.00 -0.40 -2.00 0.00 0.00 174.74 172.46 2q4s n ASP 87 N -1.31 1.49 -1.98 7.38 5.68 -1.00 -2.93 116.55 123.88 2q4s n ASP 87 Ca -0.10 -1.00 -0.01 0.00 -0.50 0.00 0.00 54.79 53.17 2q4s n ASP 87 Cb 0.66 0.00 0.06 0.00 -1.14 0.00 0.00 41.12 40.69 2q4s n ASP 87 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 2q4s n HIS 88 N -0.25 0.90 -4.21 2.11 8.25 -1.26 -4.66 115.22 116.10 2q4s n HIS 88 Ca -0.00 -1.52 -0.34 0.00 -0.26 0.00 0.00 57.72 55.60 2q4s n HIS 88 Cb 0.00 -0.22 -0.06 0.00 1.12 0.00 0.00 29.99 30.83 2q4s n HIS 88 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 2q4s n THR 89 N -0.31 -1.72 -3.13 1.59 -1.04 -1.26 -0.11 114.28 108.29 2q4s n THR 89 Ca 0.14 -0.53 -0.23 0.00 -2.04 0.00 0.00 64.05 61.39 2q4s n THR 89 Cb 0.93 -1.55 0.03 0.00 -1.82 0.00 0.00 70.33 67.92 2q4s n THR 89 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 2q4s n ASP 90 N -2.74 -5.55 -4.40 8.00 8.00 -1.26 -4.98 116.55 113.63 2q4s n ASP 90 Ca -0.28 -0.32 -0.24 0.00 0.71 0.00 0.00 54.79 54.66 2q4s n ASP 90 Cb 0.67 -4.49 -0.11 0.00 -0.02 0.00 0.00 41.12 37.16 2q4s n ASP 90 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 2q4s s SER 91 N -2.73 3.19 -0.20 -2.24 0.01 0.84 -4.65 113.70 107.92 2q4s s SER 91 Ca 0.34 -0.92 -0.23 0.00 1.31 0.00 0.00 55.95 56.45 2q4s s SER 91 Cb -0.16 -0.23 -0.02 0.00 0.21 0.00 0.00 66.02 65.83 2q4s s SER 91 CO 0.42 0.03 0.76 -1.00 0.41 0.00 0.00 173.24 173.86 2q4s s HIS 92 N -2.08 3.37 -0.10 2.43 3.76 0.76 -4.49 115.29 118.94 2q4s s HIS 92 Ca 0.22 1.09 -0.01 0.00 -0.15 0.00 0.00 55.06 56.21 2q4s s HIS 92 Cb -0.06 -2.95 -0.03 0.00 1.11 0.00 0.00 32.58 30.66 2q4s s HIS 92 CO 0.10 -0.27 -0.06 0.00 -0.85 0.00 0.00 174.74 173.66 2q4s s PHE 94 N -0.31 2.08 -0.10 0.00 0.08 0.33 -1.51 117.98 118.54 2q4s s PHE 94 Ca 0.05 -0.42 -0.02 0.00 0.12 0.00 0.00 56.93 56.66 2q4s s PHE 94 Cb -0.13 -1.34 0.04 0.00 -0.57 0.00 0.00 43.02 41.02 2q4s s PHE 94 CO 0.02 -0.06 0.00 -1.17 -0.10 0.00 0.00 175.22 173.92 2q4s s LEU 95 N -0.49 0.76 -0.12 -0.37 0.20 -0.13 -1.03 118.68 117.50 2q4s s LEU 95 Ca 0.07 -0.27 0.01 0.00 0.69 0.00 0.00 54.13 54.64 2q4s s LEU 95 Cb -0.09 -0.50 -0.01 0.00 -0.43 0.00 0.00 46.19 45.15 2q4s s LEU 95 CO -0.00 -0.22 -0.17 -0.75 -0.29 0.00 0.00 176.35 174.92 2q4s s LYS 96 N 1.93 3.25 0.07 1.98 2.20 0.30 -0.14 119.74 129.32 2q4s s LYS 96 Ca 0.04 -0.76 -0.30 0.00 -0.36 0.00 0.00 55.97 54.58 2q4s s LYS 96 Cb -0.13 -2.51 -0.05 0.00 -1.51 0.00 0.00 37.83 33.63 2q4s s LYS 96 CO -0.06 0.18 1.03 -0.51 -0.36 0.00 0.00 175.35 175.63 2q4s s LEU 97 N 0.40 4.43 -0.12 5.43 2.01 0.09 0.83 118.68 131.74 2q4s s LEU 97 Ca -0.13 1.84 0.13 0.00 0.01 0.00 0.00 54.13 55.97 2q4s s LEU 97 Cb -0.17 -3.58 -0.19 0.00 0.01 0.00 0.00 46.19 42.26 2q4s s LEU 97 CO 0.06 -0.23 0.10 0.18 1.01 0.00 0.00 176.35 177.47 2q4s n LEU 98 N 3.32 0.00 -3.66 1.79 4.77 -0.42 -0.39 117.00 122.41 2q4s n LEU 98 Ca 0.05 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.89 2q4s n LEU 98 Cb 0.49 0.28 -0.08 0.00 -2.33 0.00 0.00 43.42 41.78 2q4s n LEU 98 CO 0.53 0.28 0.27 -1.58 -1.33 0.00 0.00 177.39 175.56 2q4s s GLN 99 N -2.48 0.73 2.76 3.23 0.74 -0.69 -4.81 119.66 119.14 2q4s s GLN 99 Ca -0.07 0.66 0.00 0.00 0.05 0.00 0.00 55.36 56.00 2q4s s GLN 99 Cb 0.05 0.35 0.00 0.00 1.10 0.00 0.00 33.01 34.51 2q4s s GLN 99 CO 0.59 -0.12 0.00 0.41 -0.55 0.00 0.00 175.29 175.62 2q4s n GLY 100 N 2.40 -0.27 3.03 2.59 0.00 -1.26 -2.19 105.19 109.49 2q4s n GLY 100 Ca -0.15 -1.04 -0.09 0.00 0.00 0.00 0.00 46.02 44.73 2q4s n GLY 100 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2q4s s ASN 101 N -4.00 0.44 -0.01 1.61 0.01 -1.26 -3.48 114.94 108.25 2q4s s ASN 101 Ca 0.00 -0.63 0.02 0.00 -0.71 0.00 0.00 52.86 51.54 2q4s s ASN 101 Cb 0.00 0.11 -0.00 0.00 0.41 0.00 0.00 41.25 41.77 2q4s s ASN 101 CO 0.00 -0.35 -0.08 -0.76 -1.51 0.00 0.00 177.10 174.40 2q4s s LEU 102 N -1.85 1.93 -0.06 0.60 1.43 -0.86 -4.78 118.68 115.09 2q4s s LEU 102 Ca -0.09 -0.15 -0.11 0.00 -1.03 0.00 0.00 54.13 52.75 2q4s s LEU 102 Cb -0.06 -0.43 -0.05 0.00 0.03 0.00 0.00 46.19 45.69 2q4s s LEU 102 CO -0.03 0.08 0.28 -0.75 0.23 0.00 0.00 176.35 176.16 2q4s s LYS 103 N -0.05 3.68 0.12 1.70 2.20 -0.66 -0.20 119.74 126.53 2q4s s LYS 103 Ca 0.01 0.14 0.09 0.00 -0.36 0.00 0.00 55.97 55.85 2q4s s LYS 103 Cb -0.05 -3.20 -0.04 0.00 -1.51 0.00 0.00 37.83 33.03 2q4s s LYS 103 CO -0.00 0.73 -0.18 -2.00 -0.36 0.00 0.00 175.35 173.54 2q4s s GLU 104 N -1.08 1.80 -0.14 4.03 2.12 0.90 -0.28 118.70 126.05 2q4s s GLU 104 Ca 0.20 -1.19 -0.04 0.00 0.36 0.00 0.00 54.97 54.30 2q4s s GLU 104 Cb -0.14 -2.12 0.05 0.00 0.26 0.00 0.00 34.13 32.18 2q4s s GLU 104 CO 0.09 0.48 0.08 0.99 -0.54 0.00 0.00 175.26 176.36 2q4s s THR 105 N -1.18 -0.05 0.31 -1.70 2.01 -0.50 -2.11 115.64 112.42 2q4s s THR 105 Ca 0.18 -0.03 -0.25 0.00 0.31 0.00 0.00 61.69 61.90 2q4s s THR 105 Cb -0.10 -0.49 -0.10 0.00 0.01 0.00 0.00 72.50 71.82 2q4s s THR 105 CO 0.10 -0.15 0.91 -0.76 -0.69 0.00 0.00 174.62 174.04 2q4s s LEU 106 N 2.13 4.35 0.05 4.42 1.43 -0.59 -2.30 118.68 128.16 2q4s s LEU 106 Ca 0.03 1.78 0.04 0.00 -1.03 0.00 0.00 54.13 54.95 2q4s s LEU 106 Cb -0.15 -3.95 -0.02 0.00 0.03 0.00 0.00 46.19 42.10 2q4s s LEU 106 CO -0.07 -0.05 -0.13 -0.36 0.23 0.00 0.00 176.35 175.97 2q4s s PHE 107 N -1.60 1.09 0.43 0.29 0.08 -0.25 -1.83 117.98 116.19 2q4s s PHE 107 Ca 0.49 -0.40 -0.13 0.00 0.12 0.00 0.00 56.93 57.01 2q4s s PHE 107 Cb -0.18 -0.63 -0.07 0.00 -0.57 0.00 0.00 43.02 41.56 2q4s s PHE 107 CO 0.23 0.02 0.83 -0.51 -0.10 0.00 0.00 175.22 175.69 2q4s s ASP 108 N -1.39 6.59 -0.01 1.36 1.01 -1.26 -0.90 116.67 122.07 2q4s s ASP 108 Ca -0.02 1.28 -0.30 0.00 0.71 0.00 0.00 52.55 54.23 2q4s s ASP 108 Cb -0.09 -2.39 -0.07 0.00 1.01 0.00 0.00 42.92 41.38 2q4s s ASP 108 CO 0.01 -0.43 1.87 0.26 0.21 0.00 0.00 175.17 177.10 2q4s s TRP 109 N -2.39 1.52 0.49 4.23 0.52 -1.26 -4.83 118.94 117.22 2q4s s TRP 109 Ca 0.54 -0.17 -0.08 0.00 0.02 0.00 0.00 56.10 56.41 2q4s s TRP 109 Cb -0.10 -4.12 0.13 0.00 -1.15 0.00 0.00 33.47 28.23 2q4s s TRP 109 CO 0.29 -4.87 0.29 -2.30 0.02 0.00 0.00 176.95 170.38 2q4s n PRO 110 N 7.48 -2.94 -1.65 4.98 -0.02 -1.26 -5.07 135.00 136.51 2q4s n PRO 110 Ca 0.19 -0.48 -0.07 0.00 -2.02 0.00 0.00 63.50 61.13 2q4s n PRO 110 Cb 0.42 -0.63 0.02 0.00 -0.02 0.00 0.00 33.50 33.29 2q4s n PRO 110 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2q4s n ASP 111 N -3.91 0.70 -0.05 2.55 8.00 -1.26 -5.05 116.55 117.53 2q4s n ASP 111 Ca 0.05 -1.51 -0.18 0.00 0.71 0.00 0.00 54.79 53.86 2q4s n ASP 111 Cb 0.20 -0.15 -0.13 0.00 -0.02 0.00 0.00 41.12 41.02 2q4s n ASP 111 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 2q4s h LYS 112 N 0.00 0.07 -7.18 -1.24 1.57 -1.96 -3.47 116.57 104.36 2q4s h LYS 112 Ca -0.09 -0.13 -0.51 0.00 -1.87 0.00 0.00 60.65 58.05 2q4s h LYS 112 Cb 0.42 0.05 0.11 0.00 0.08 0.00 0.00 32.23 32.89 2q4s h LYS 112 CO 0.13 1.06 0.38 0.15 -0.57 0.00 0.00 179.45 180.60 2q4s s LYS 113 N -2.32 2.70 0.21 3.15 1.02 -1.26 -4.86 119.74 118.38 2q4s s LYS 113 Ca -0.21 1.49 -0.32 0.00 0.02 0.00 0.00 55.97 56.95 2q4s s LYS 113 Cb 0.01 -1.93 -0.14 0.00 -0.52 0.00 0.00 37.83 35.25 2q4s s LYS 113 CO 0.70 -1.34 1.42 0.45 -0.92 0.00 0.00 175.35 175.65 2q4s n SER 114 N -2.38 2.64 -3.62 2.83 2.88 -1.26 -4.87 113.62 109.84 2q4s n SER 114 Ca 0.11 1.13 -0.15 0.00 -1.33 0.00 0.00 58.87 58.63 2q4s n SER 114 Cb 0.51 -1.39 -0.07 0.00 -0.75 0.00 0.00 64.21 62.51 2q4s n SER 114 CO 0.00 0.00 0.00 0.20 -1.23 0.00 0.00 175.04 174.01 2q4s s ASN 115 N 0.42 -0.70 0.00 -3.46 0.01 -0.99 -5.03 114.94 105.19 2q4s s ASN 115 Ca 0.72 1.25 0.00 0.00 -0.71 0.00 0.00 52.86 54.13 2q4s s ASN 115 Cb -0.69 1.24 0.00 0.00 0.41 0.00 0.00 41.25 42.21 2q4s s ASN 115 CO 0.47 -0.31 0.00 1.21 -1.51 0.00 0.00 177.10 176.96 2q4s n GLU 116 N 2.37 2.09 -3.63 -0.60 4.07 -1.26 -3.58 120.64 120.10 2q4s n GLU 116 Ca -0.15 0.00 -0.04 0.00 -0.06 0.00 0.00 57.16 56.91 2q4s n GLU 116 Cb 0.56 0.00 -0.05 0.00 -0.06 0.00 0.00 31.44 31.89 2q4s n GLU 116 CO 0.00 0.00 0.00 0.42 -0.06 0.00 0.00 177.13 177.49 2q4s s ILE 118 N 0.00 0.00 0.15 6.31 -1.09 -1.26 -5.04 121.20 120.28 2q4s s ILE 118 Ca 0.00 0.00 -0.30 0.00 -2.23 0.00 0.00 60.65 58.12 2q4s s ILE 118 Cb 0.00 -1.00 -0.07 0.00 -1.58 0.00 0.00 42.46 39.81 2q4s s ILE 118 CO 0.00 0.00 1.10 -1.59 -1.23 0.00 0.00 174.94 173.22 2q4s s LYS 119 N -0.83 4.57 -0.02 2.79 -2.85 -1.26 -4.49 119.74 117.66 2q4s s LYS 119 Ca 0.06 1.71 0.14 0.00 -1.00 0.00 0.00 55.97 56.88 2q4s s LYS 119 Cb -0.02 -3.30 -0.20 0.00 -2.06 0.00 0.00 37.83 32.25 2q4s s LYS 119 CO -0.07 0.03 0.69 0.36 0.10 0.00 0.00 175.35 176.45 2q4s n LYS 120 N 2.66 0.63 -3.58 1.78 2.85 -0.76 -5.02 118.16 116.71 2q4s n LYS 120 Ca 0.04 0.26 -0.05 0.00 -1.05 0.00 0.00 58.31 57.51 2q4s n LYS 120 Cb 0.46 -1.79 -0.02 0.00 -0.65 0.00 0.00 35.03 33.04 2q4s n LYS 120 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 177.40 175.81 2q4s s SER 121 N -5.97 -0.20 -0.14 -5.58 1.04 -1.26 -5.02 113.70 96.57 2q4s s SER 121 Ca -0.04 -0.05 -0.11 0.00 0.48 0.00 0.00 55.95 56.22 2q4s s SER 121 Cb 0.08 0.25 0.04 0.00 0.10 0.00 0.00 66.02 66.50 2q4s s SER 121 CO 0.82 -0.43 0.35 -1.83 0.98 0.00 0.00 173.24 173.14 2q4s s GLU 122 N -2.72 0.39 0.19 4.02 -1.05 -1.26 -1.54 118.70 116.72 2q4s s GLU 122 Ca 0.09 0.55 0.03 0.00 -0.15 0.00 0.00 54.97 55.49 2q4s s GLU 122 Cb -0.00 0.13 -0.05 0.00 -0.44 0.00 0.00 34.13 33.77 2q4s s GLU 122 CO -0.05 -0.08 -0.03 -0.98 0.95 0.00 0.00 175.26 175.07 2q4s s ARG 123 N 0.50 1.17 -0.27 -4.83 1.70 -0.90 -4.96 118.95 111.37 2q4s s ARG 123 Ca -0.03 -1.56 -0.07 0.00 -0.47 0.00 0.00 55.73 53.61 2q4s s ARG 123 Cb -0.04 -0.48 -0.01 0.00 -0.57 0.00 0.00 34.95 33.85 2q4s s ARG 123 CO -0.03 -0.07 0.06 0.99 -1.08 0.00 0.00 175.30 175.18 2q4s s THR 124 N -3.49 4.06 -0.12 4.99 2.01 -1.26 -0.07 115.64 121.75 2q4s s THR 124 Ca 0.23 -0.44 -0.22 0.00 0.31 0.00 0.00 61.69 61.58 2q4s s THR 124 Cb 0.05 -2.98 -0.03 0.00 0.01 0.00 0.00 72.50 69.55 2q4s s THR 124 CO 0.05 0.23 0.63 -0.76 -0.69 0.00 0.00 174.62 174.08 2q4s s LEU 125 N 1.55 4.25 0.42 4.42 1.43 0.72 -4.97 118.68 126.50 2q4s s LEU 125 Ca 0.05 0.99 0.08 0.00 -1.03 0.00 0.00 54.13 54.22 2q4s s LEU 125 Cb -0.16 -2.94 -0.02 0.00 0.03 0.00 0.00 46.19 43.10 2q4s s LEU 125 CO 0.02 -0.15 0.38 -0.13 0.23 0.00 0.00 176.35 176.71 2q4s s ARG 126 N 1.17 2.52 0.09 1.70 0.52 -1.26 -2.03 118.95 121.66 2q4s s ARG 126 Ca 0.32 -1.56 -0.36 0.00 -0.52 0.00 0.00 55.73 53.61 2q4s s ARG 126 Cb -0.16 -2.37 -0.17 0.00 0.52 0.00 0.00 34.95 32.77 2q4s s ARG 126 CO 0.14 -0.22 1.27 -1.91 0.02 0.00 0.00 175.30 174.59 2q4s n GLU 127 N -1.57 1.00 -0.38 3.54 2.13 -1.23 -0.70 120.64 123.43 2q4s n GLU 127 Ca 0.04 0.36 0.00 0.00 0.66 0.00 0.00 57.16 58.22 2q4s n GLU 127 Cb 0.62 -1.95 0.00 0.00 0.27 0.00 0.00 31.44 30.38 2q4s n GLU 127 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 2q4s n ASN 128 N 2.30 0.00 -4.78 4.31 3.02 0.47 -4.96 115.26 115.63 2q4s n ASN 128 Ca 0.18 0.00 -0.37 0.00 -0.03 0.00 0.00 54.58 54.36 2q4s n ASN 128 Cb 0.19 -0.65 -0.04 0.00 -0.61 0.00 0.00 39.78 38.66 2q4s n ASN 128 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 2q4s s GLN 129 N -0.15 4.27 -0.09 3.52 0.74 0.12 -4.67 119.66 123.39 2q4s s GLN 129 Ca 0.00 1.56 0.02 0.00 0.05 0.00 0.00 55.36 56.99 2q4s s GLN 129 Cb 0.00 -2.67 0.01 0.00 1.10 0.00 0.00 33.01 31.45 2q4s s GLN 129 CO 0.00 -0.06 -0.15 0.00 -0.55 0.00 0.00 175.29 174.53 2q4s s ALA 131 N 0.83 3.87 0.01 0.00 0.00 0.80 -4.93 121.76 122.34 2q4s s ALA 131 Ca -0.10 -1.85 -0.00 0.00 0.00 0.00 0.00 51.96 50.00 2q4s s ALA 131 Cb -0.15 -0.94 -0.01 0.00 0.00 0.00 0.00 23.12 22.02 2q4s s ALA 131 CO 0.01 -0.13 -0.01 -0.47 0.00 0.00 0.00 175.76 175.17 2q4s s TYR 132 N -2.44 0.16 0.03 0.00 6.14 -1.26 -0.96 117.35 119.02 2q4s s TYR 132 Ca 0.44 -0.33 -0.20 0.00 0.64 0.00 0.00 57.07 57.62 2q4s s TYR 132 Cb -0.03 -0.12 0.04 0.00 0.42 0.00 0.00 41.96 42.28 2q4s s TYR 132 CO 0.26 -0.13 0.46 -1.50 0.64 0.00 0.00 175.55 175.28 2q4s s ILE 133 N -0.97 0.04 0.29 3.14 2.07 -0.57 -5.02 121.20 120.19 2q4s s ILE 133 Ca -0.11 -0.35 -0.10 0.00 -1.41 0.00 0.00 60.65 58.69 2q4s s ILE 133 Cb -0.07 -0.93 0.00 0.00 0.13 0.00 0.00 42.46 41.60 2q4s s ILE 133 CO -0.01 -0.19 0.51 0.54 -1.91 0.00 0.00 174.94 173.88 2q4s s ASN 134 N -1.85 0.24 0.00 4.50 2.20 -1.26 -1.26 114.94 117.51 2q4s s ASN 134 Ca -0.07 -1.13 0.00 0.00 -0.94 0.00 0.00 52.86 50.72 2q4s s ASN 134 Cb -0.01 0.64 0.00 0.00 -2.00 0.00 0.00 41.25 39.88 2q4s s ASN 134 CO -0.00 -1.26 0.39 0.47 -2.94 0.00 0.00 177.10 173.76 2q4s n ASP 135 N -0.83 0.61 -0.00 3.54 8.00 -1.26 -1.90 116.55 124.72 2q4s n ASP 135 Ca -0.02 -1.39 0.01 0.00 0.71 0.00 0.00 54.79 54.10 2q4s n ASP 135 Cb 0.62 -0.31 -0.01 0.00 -0.02 0.00 0.00 41.12 41.40 2q4s n ASP 135 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 2q4s n SER 136 N 0.08 0.28 -0.06 -2.24 7.64 -1.26 -4.63 113.62 113.43 2q4s n SER 136 Ca 0.00 -0.52 -0.03 0.00 1.01 0.00 0.00 58.87 59.33 2q4s n SER 136 Cb 0.15 1.00 -0.13 0.00 -1.01 0.00 0.00 64.21 64.23 2q4s n SER 136 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 2q4s n ILE 137 N -1.06 0.77 0.00 0.44 5.41 -0.80 -5.11 119.36 119.00 2q4s n ILE 137 Ca 0.00 -0.59 0.00 0.00 1.00 0.00 0.00 62.75 63.16 2q4s n ILE 137 Cb 0.03 -0.37 0.00 0.00 -0.71 0.00 0.00 39.64 38.58 2q4s n ILE 137 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2q4s n GLY 138 N 1.87 1.00 3.92 7.39 0.00 -1.15 -4.99 105.19 113.23 2q4s n GLY 138 Ca -0.19 -1.94 -0.20 0.00 0.00 0.00 0.00 46.02 43.69 2q4s n GLY 138 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2q4s s LEU 139 N 0.00 3.57 0.26 0.99 1.43 -0.08 -4.54 118.68 120.32 2q4s s LEU 139 Ca 0.00 -0.54 -0.18 0.00 -1.03 0.00 0.00 54.13 52.38 2q4s s LEU 139 Cb 0.00 -2.32 0.01 0.00 0.03 0.00 0.00 46.19 43.91 2q4s s LEU 139 CO 0.00 -0.58 0.61 -1.38 0.23 0.00 0.00 176.35 175.23 2q4s s HIS 140 N -2.37 0.03 -0.06 0.29 -3.43 -1.15 -1.09 115.29 107.52 2q4s s HIS 140 Ca 0.48 -0.44 -0.02 0.00 -0.80 0.00 0.00 55.06 54.27 2q4s s HIS 140 Cb -0.06 0.48 0.03 0.00 -1.43 0.00 0.00 32.58 31.60 2q4s s HIS 140 CO 0.29 -1.12 0.04 0.50 -2.00 0.00 0.00 174.74 172.46 2q4s s ARG 141 N -3.95 0.16 0.11 -0.38 3.52 -0.97 -1.48 118.95 115.95 2q4s s ARG 141 Ca 0.15 0.27 0.05 0.00 -0.13 0.00 0.00 55.73 56.07 2q4s s ARG 141 Cb -0.04 -0.72 -0.04 0.00 -1.56 0.00 0.00 34.95 32.59 2q4s s ARG 141 CO 0.07 -0.34 0.04 0.08 -0.81 0.00 0.00 175.30 174.34 2q4s s VAL 142 N 2.10 4.16 0.15 7.11 1.01 -1.26 -1.40 120.40 132.26 2q4s s VAL 142 Ca 0.05 -1.01 -0.17 0.00 0.00 0.00 0.00 61.98 60.85 2q4s s VAL 142 Cb -0.12 -3.02 0.03 0.00 0.00 0.00 0.00 36.38 33.27 2q4s s VAL 142 CO -0.04 0.06 0.46 -1.83 0.00 0.00 0.00 175.10 173.74 2q4s s GLU 143 N -2.52 1.20 -0.55 2.72 -1.05 0.62 -2.32 118.70 116.79 2q4s s GLU 143 Ca 0.27 -0.76 -0.06 0.00 -0.15 0.00 0.00 54.97 54.28 2q4s s GLU 143 Cb -0.11 0.49 0.14 0.00 -0.44 0.00 0.00 34.13 34.22 2q4s s GLU 143 CO 0.20 -0.49 0.40 1.21 0.95 0.00 0.00 175.26 177.53 2q4s s ASN 144 N -2.83 5.55 0.20 0.83 2.47 -0.48 -1.65 114.94 119.02 2q4s s ASN 144 Ca 0.05 -2.37 0.19 0.00 0.42 0.00 0.00 52.86 51.16 2q4s s ASN 144 Cb 0.01 -1.94 0.01 0.00 -1.45 0.00 0.00 41.25 37.88 2q4s s ASN 144 CO -0.09 -0.53 1.11 -0.37 -3.72 0.00 0.00 177.10 173.51 2q4s h VAL 145 N 5.72 0.34 -2.02 -5.21 -1.51 -1.89 0.42 116.25 112.10 2q4s h VAL 145 Ca -0.09 -1.58 -0.62 0.00 -1.23 0.00 0.00 66.70 63.18 2q4s h VAL 145 Cb 1.02 1.92 0.14 0.00 -2.13 0.00 0.00 31.29 32.24 2q4s h VAL 145 CO 0.76 0.19 -0.46 -0.24 -1.23 0.00 0.00 177.57 176.59 2q4s n SER 146 N -2.91 -1.05 -0.27 4.19 2.88 -1.26 -4.37 113.62 110.83 2q4s n SER 146 Ca -0.03 0.96 0.10 0.00 -1.33 0.00 0.00 58.87 58.57 2q4s n SER 146 Cb 0.69 -1.07 -0.05 0.00 -0.75 0.00 0.00 64.21 63.03 2q4s n SER 146 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 2q4s n HIS 147 N -0.63 0.00 -0.02 0.66 8.25 -1.26 -2.25 115.22 119.97 2q4s n HIS 147 Ca 0.12 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.56 2q4s n HIS 147 Cb 0.36 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.46 2q4s n HIS 147 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 2q4s n THR 148 N -0.67 0.17 -3.83 1.59 -2.24 -1.26 -4.96 114.28 103.08 2q4s n THR 148 Ca 0.07 -0.06 -0.36 0.00 -2.27 0.00 0.00 64.05 61.42 2q4s n THR 148 Cb 0.39 -0.68 -0.13 0.00 -2.10 0.00 0.00 70.33 67.81 2q4s n THR 148 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2q4s s GLU 149 N -2.06 3.34 0.54 -0.78 0.41 -1.26 -5.00 118.70 113.89 2q4s s GLU 149 Ca -0.04 -0.67 -0.19 0.00 -0.41 0.00 0.00 54.97 53.65 2q4s s GLU 149 Cb 0.01 -3.20 -0.06 0.00 -1.78 0.00 0.00 34.13 29.10 2q4s s GLU 149 CO 0.07 -0.28 1.10 -1.25 -0.49 0.00 0.00 175.26 174.41 2q4s s PRO 150 N 1.51 3.45 0.23 0.39 0.04 -1.26 -4.69 135.00 134.68 2q4s s PRO 150 Ca 0.05 1.51 0.07 0.00 0.04 0.00 0.00 61.00 62.67 2q4s s PRO 150 Cb -0.15 -2.03 -0.04 0.00 0.04 0.00 0.00 34.50 32.32 2q4s s PRO 150 CO 0.00 -0.75 0.11 0.00 0.04 0.00 0.00 177.00 176.41 2q4s s ALA 151 N -1.90 3.43 -0.06 8.56 0.00 0.43 -4.57 121.76 127.65 2q4s s ALA 151 Ca 0.70 -1.45 -0.03 0.00 0.00 0.00 0.00 51.96 51.19 2q4s s ALA 151 Cb -0.21 -1.14 0.03 0.00 0.00 0.00 0.00 23.12 21.80 2q4s s ALA 151 CO 0.26 0.32 0.14 0.08 0.00 0.00 0.00 175.76 176.55 2q4s s VAL 152 N -2.08 -0.04 0.05 0.00 1.01 -0.93 0.12 120.40 118.53 2q4s s VAL 152 Ca 0.32 0.15 0.02 0.00 0.00 0.00 0.00 61.98 62.46 2q4s s VAL 152 Cb -0.08 -0.22 -0.03 0.00 0.00 0.00 0.00 36.38 36.05 2q4s s VAL 152 CO 0.23 0.06 -0.07 -0.94 0.00 0.00 0.00 175.10 174.38 2q4s s SER 153 N 0.95 0.86 -0.21 3.32 1.04 0.55 -1.29 113.70 118.92 2q4s s SER 153 Ca -0.07 -0.67 -0.07 0.00 0.48 0.00 0.00 55.95 55.62 2q4s s SER 153 Cb -0.09 0.06 -0.04 0.00 0.10 0.00 0.00 66.02 66.05 2q4s s SER 153 CO -0.05 -0.29 0.07 -0.22 0.98 0.00 0.00 173.24 173.74 2q4s s LEU 154 N -1.95 3.66 -0.05 2.42 2.96 0.24 -0.65 118.68 125.31 2q4s s LEU 154 Ca -0.05 -0.04 0.06 0.00 -0.22 0.00 0.00 54.13 53.88 2q4s s LEU 154 Cb -0.06 -1.95 -0.01 0.00 0.50 0.00 0.00 46.19 44.67 2q4s s LEU 154 CO -0.01 0.08 -0.24 -1.00 -1.32 0.00 0.00 176.35 173.86 2q4s s HIS 155 N 0.94 2.29 -0.11 5.38 3.76 -1.26 0.11 115.29 126.40 2q4s s HIS 155 Ca 0.04 -0.63 0.02 0.00 -0.15 0.00 0.00 55.06 54.34 2q4s s HIS 155 Cb -0.14 -1.50 0.01 0.00 1.11 0.00 0.00 32.58 32.06 2q4s s HIS 155 CO 0.03 -0.18 -0.18 -1.17 -0.85 0.00 0.00 174.74 172.39 2q4s s LEU 156 N -0.22 1.88 -0.11 0.89 0.20 -0.20 -4.33 118.68 116.80 2q4s s LEU 156 Ca -0.01 -0.48 0.02 0.00 0.69 0.00 0.00 54.13 54.34 2q4s s LEU 156 Cb -0.13 -1.21 0.01 0.00 -0.43 0.00 0.00 46.19 44.44 2q4s s LEU 156 CO 0.03 0.06 -0.16 -0.31 -0.29 0.00 0.00 176.35 175.68 2q4s s TYR 157 N 0.79 2.04 -0.04 5.38 2.02 -1.20 -0.52 117.35 125.82 2q4s s TYR 157 Ca -0.10 -0.98 -0.02 0.00 -0.37 0.00 0.00 57.07 55.60 2q4s s TYR 157 Cb -0.16 -1.47 0.03 0.00 -0.40 0.00 0.00 41.96 39.97 2q4s s TYR 157 CO 0.01 -0.50 0.06 0.45 -1.57 0.00 0.00 175.55 173.99 2q4s s SER 158 N 1.01 0.88 0.84 2.29 0.15 -0.60 -2.10 113.70 116.17 2q4s s SER 158 Ca -0.06 0.08 -0.11 0.00 0.70 0.00 0.00 55.95 56.56 2q4s s SER 158 Cb -0.15 -0.11 0.09 0.00 -1.71 0.00 0.00 66.02 64.15 2q4s s SER 158 CO -0.02 -0.22 1.09 -2.84 1.20 0.00 0.00 173.24 172.45 2q4s s PRO 159 N 1.92 1.74 0.57 5.44 0.02 -1.26 -0.17 135.00 143.26 2q4s s PRO 159 Ca 0.02 0.84 -0.21 0.00 0.02 0.00 0.00 61.00 61.67 2q4s s PRO 159 Cb -0.12 -1.86 -0.05 0.00 0.02 0.00 0.00 34.50 32.49 2q4s s PRO 159 CO -0.03 -1.91 1.23 -2.30 -0.33 0.00 0.00 177.00 173.66 2q4s n PRO 160 N -3.66 1.39 -3.66 5.54 -0.02 -1.24 -4.82 135.00 128.54 2q4s n PRO 160 Ca 0.07 0.52 -0.14 0.00 -2.02 0.00 0.00 63.50 61.93 2q4s n PRO 160 Cb 0.55 -2.44 -0.08 0.00 -0.02 0.00 0.00 33.50 31.51 2q4s n PRO 160 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 2q4s s PHE 161 N -1.35 -0.60 -0.08 6.00 -0.12 -1.26 -5.03 117.98 115.54 2q4s s PHE 161 Ca 0.74 1.35 0.12 0.00 -0.05 0.00 0.00 56.93 59.09 2q4s s PHE 161 Cb -0.42 0.24 0.19 0.00 -0.63 0.00 0.00 43.02 42.40 2q4s s PHE 161 CO 0.48 -0.37 1.10 -0.40 -0.05 0.00 0.00 175.22 175.97 2q4s n ASP 162 N 2.28 1.40 -3.71 1.98 5.68 -1.26 -4.99 116.55 117.92 2q4s n ASP 162 Ca -0.15 -2.68 -0.14 0.00 -0.50 0.00 0.00 54.79 51.31 2q4s n ASP 162 Cb 0.56 -0.34 -0.14 0.00 -1.14 0.00 0.00 41.12 40.05 2q4s n ASP 162 CO 0.00 0.00 0.00 0.42 -1.33 0.00 0.00 177.20 176.29 2q4s s THR 163 N -1.72 -0.14 0.00 2.12 -4.23 -1.26 -4.69 115.64 105.71 2q4s s THR 163 Ca 0.20 0.24 0.00 0.00 -1.18 0.00 0.00 61.69 60.95 2q4s s THR 163 Cb 0.18 -0.29 0.00 0.00 1.34 0.00 0.00 72.50 73.73 2q4s s THR 163 CO 0.01 0.10 0.00 0.00 -0.54 0.00 0.00 174.62 174.19 2q4s s HIS 165 N -0.62 1.78 0.11 0.00 3.76 -1.26 -0.21 115.29 118.84 2q4s s HIS 165 Ca 0.00 -0.36 0.05 0.00 -0.15 0.00 0.00 55.06 54.60 2q4s s HIS 165 Cb 0.00 -1.15 -0.04 0.00 1.11 0.00 0.00 32.58 32.50 2q4s s HIS 165 CO 0.00 -0.05 0.00 0.00 -0.85 0.00 0.00 174.74 173.84 2q4s s ALA 166 N -0.39 3.28 -0.08 -1.40 0.00 0.47 -2.39 121.76 121.25 2q4s s ALA 166 Ca 0.06 -1.17 0.03 0.00 0.00 0.00 0.00 51.96 50.88 2q4s s ALA 166 Cb -0.08 -1.16 0.01 0.00 0.00 0.00 0.00 23.12 21.89 2q4s s ALA 166 CO -0.00 0.65 -0.19 -0.06 0.00 0.00 0.00 175.76 176.16 2q4s s PHE 167 N -1.40 2.05 -0.43 0.00 0.08 0.19 -0.54 117.98 117.93 2q4s s PHE 167 Ca 0.26 -0.81 -0.29 0.00 0.12 0.00 0.00 56.93 56.21 2q4s s PHE 167 Cb -0.11 -1.41 0.02 0.00 -0.57 0.00 0.00 43.02 40.94 2q4s s PHE 167 CO 0.18 -0.35 1.34 0.34 -0.10 0.00 0.00 175.22 176.63 2q4s s ASP 168 N 0.48 6.41 0.62 1.36 2.15 -0.50 -4.39 116.67 122.82 2q4s s ASP 168 Ca -0.17 0.73 0.29 0.00 0.43 0.00 0.00 52.55 53.83 2q4s s ASP 168 Cb -0.17 -2.54 1.56 0.00 -0.30 0.00 0.00 42.92 41.47 2q4s s ASP 168 CO 0.07 -1.39 1.93 -0.61 -0.17 0.00 0.00 175.17 174.99 2q4s h GLN 169 N 10.31 0.00 0.00 4.34 4.15 -1.95 0.15 115.11 132.10 2q4s h GLN 169 Ca -0.26 0.00 -0.09 0.00 0.77 0.00 0.00 58.65 59.07 2q4s h GLN 169 Cb 1.09 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.77 2q4s h GLN 169 CO 1.10 0.00 -0.45 0.00 -1.93 0.00 0.00 178.83 177.55 2q4s h ARG 170 N 0.00 0.00 0.00 1.69 2.47 -1.90 -3.41 114.38 113.24 2q4s h ARG 170 Ca 0.11 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.83 2q4s h ARG 170 Cb 0.88 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.20 2q4s h ARG 170 CO -0.00 0.42 -0.44 0.25 0.56 0.00 0.00 179.97 180.76 2q4s n THR 171 N -3.20 0.00 0.00 2.04 -2.24 -0.86 -3.98 114.28 106.04 2q4s n THR 171 Ca 0.02 -0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 2q4s n THR 171 Cb 0.71 0.42 0.00 0.00 -2.10 0.00 0.00 70.33 69.35 2q4s n THR 171 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2q4s n GLY 172 N 1.21 1.78 3.61 3.38 0.00 0.46 -2.35 105.19 113.28 2q4s n GLY 172 Ca 0.00 0.00 -0.51 0.00 0.00 0.00 0.00 46.02 45.51 2q4s n GLY 172 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2q4s n HIS 173 N -2.00 1.68 -4.53 1.61 -0.00 -1.26 -4.60 115.22 106.13 2q4s n HIS 173 Ca 0.00 0.55 -0.33 0.00 -0.00 0.00 0.00 57.72 57.94 2q4s n HIS 173 Cb 0.00 -2.38 -0.13 0.00 -0.00 0.00 0.00 29.99 27.49 2q4s n HIS 173 CO 0.00 0.00 0.00 -1.59 -0.00 0.00 0.00 176.34 174.75 2q4s s LYS 174 N 0.57 3.47 0.05 1.57 -2.85 -1.26 -1.40 119.74 119.89 2q4s s LYS 174 Ca 0.83 -0.57 0.07 0.00 -1.00 0.00 0.00 55.97 55.31 2q4s s LYS 174 Cb -0.89 -2.80 -0.03 0.00 -2.06 0.00 0.00 37.83 32.06 2q4s s LYS 174 CO 0.45 0.29 -0.20 0.54 0.10 0.00 0.00 175.35 176.53 2q4s s ASN 175 N 0.19 2.42 0.66 0.03 4.22 0.30 -4.94 114.94 117.82 2q4s s ASN 175 Ca -0.04 -0.53 -0.17 0.00 -2.14 0.00 0.00 52.86 49.97 2q4s s ASN 175 Cb -0.14 -0.19 -0.00 0.00 1.28 0.00 0.00 41.25 42.19 2q4s s ASN 175 CO 0.03 0.14 1.24 -0.75 -2.04 0.00 0.00 177.10 175.73 2q4s s LYS 176 N -1.25 2.55 -0.11 3.55 2.20 -1.26 -0.39 119.74 125.02 2q4s s LYS 176 Ca 0.07 1.90 0.01 0.00 -0.36 0.00 0.00 55.97 57.58 2q4s s LYS 176 Cb -0.09 -1.87 0.02 0.00 -1.51 0.00 0.00 37.83 34.38 2q4s s LYS 176 CO 0.02 -1.56 -0.11 0.08 -0.36 0.00 0.00 175.35 173.42 2q4s s VAL 177 N -1.64 1.25 0.68 4.02 1.01 0.70 -4.73 120.40 121.70 2q4s s VAL 177 Ca 0.78 -0.47 0.03 0.00 0.00 0.00 0.00 61.98 62.32 2q4s s VAL 177 Cb -0.33 -1.20 0.12 0.00 0.00 0.00 0.00 36.38 34.98 2q4s s VAL 177 CO 0.39 0.40 0.94 -0.89 0.00 0.00 0.00 175.10 175.94 2q4s s THR 178 N 1.30 2.12 0.00 3.92 2.01 -1.26 -1.68 115.64 122.04 2q4s s THR 178 Ca -0.01 -0.72 0.00 0.00 0.31 0.00 0.00 61.69 61.26 2q4s s THR 178 Cb -0.14 -2.40 0.00 0.00 0.01 0.00 0.00 72.50 69.98 2q4s s THR 178 CO -0.05 0.00 0.00 0.35 -0.69 0.00 0.00 174.62 174.23 2q4s n THR 180 N -2.66 0.00 -4.33 -0.82 -2.24 -1.26 -5.03 114.28 97.93 2q4s n THR 180 Ca 0.15 0.00 -0.35 0.00 -2.27 0.00 0.00 64.05 61.59 2q4s n THR 180 Cb 0.61 0.00 -0.10 0.00 -2.10 0.00 0.00 70.33 68.74 2q4s n THR 180 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 2q4s s PHE 181 N -2.00 3.15 0.11 4.78 0.08 -1.26 -4.63 117.98 118.21 2q4s s PHE 181 Ca 0.00 0.09 -0.00 0.00 0.12 0.00 0.00 56.93 57.14 2q4s s PHE 181 Cb 0.00 -1.86 -0.17 0.00 -0.57 0.00 0.00 43.02 40.42 2q4s s PHE 181 CO 0.00 0.34 1.25 1.25 -0.10 0.00 0.00 175.22 177.96 2q4s h HIS 182 N 5.63 0.35 -3.41 0.36 -0.00 -0.20 -3.44 115.15 114.44 2q4s h HIS 182 Ca -0.45 -0.23 -0.04 0.00 -0.00 0.00 0.00 60.37 59.64 2q4s h HIS 182 Cb 1.19 -0.02 -0.12 0.00 -0.00 0.00 0.00 27.41 28.46 2q4s h HIS 182 CO 0.60 1.13 -0.05 -1.54 -0.00 0.00 0.00 177.93 178.07 2q4s s SER 183 N -6.99 -0.21 -0.05 3.26 1.04 -1.20 -0.89 113.70 108.65 2q4s s SER 183 Ca -0.03 -0.46 -0.01 0.00 0.48 0.00 0.00 55.95 55.93 2q4s s SER 183 Cb 0.09 0.52 0.03 0.00 0.10 0.00 0.00 66.02 66.75 2q4s s SER 183 CO 0.85 -0.95 0.03 -0.54 0.98 0.00 0.00 173.24 173.61 2q4s s LYS 184 N -3.86 0.24 -1.58 4.02 1.02 -0.67 -1.03 119.74 117.89 2q4s s LYS 184 Ca 0.08 0.24 0.00 0.00 0.02 0.00 0.00 55.97 56.30 2q4s s LYS 184 Cb 0.01 -0.70 0.00 0.00 -0.52 0.00 0.00 37.83 36.62 2q4s s LYS 184 CO -0.06 -0.30 0.00 1.19 -0.92 0.00 0.00 175.35 175.26 2q4s n PHE 185 N 5.12 -0.82 -0.64 3.18 3.72 -0.12 -2.37 117.46 125.53 2q4s n PHE 185 Ca -0.07 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.33 2q4s n PHE 185 Cb 0.50 -3.56 0.00 0.00 -0.94 0.00 0.00 39.48 35.48 2q4s n PHE 185 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2q4s n GLY 186 N -1.00 0.69 3.28 1.37 0.00 -1.26 -5.05 105.19 103.21 2q4s n GLY 186 Ca -0.21 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.47 2q4s n GLY 186 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2q4s s ILE 187 N -2.07 2.82 0.21 -0.61 -1.09 -1.00 -4.94 121.20 114.52 2q4s s ILE 187 Ca 0.00 -0.71 -0.32 0.00 -2.23 0.00 0.00 60.65 57.39 2q4s s ILE 187 Cb 0.00 -2.21 -0.13 0.00 -1.58 0.00 0.00 42.46 38.54 2q4s s ILE 187 CO 0.00 0.50 1.58 -1.14 -1.23 0.00 0.00 174.94 174.65 2q4s n ARG 188 N 4.15 2.36 -3.81 2.79 3.00 -1.26 -1.68 116.66 122.21 2q4s n ARG 188 Ca -0.19 0.85 -0.28 0.00 -0.00 0.00 0.00 57.85 58.22 2q4s n ARG 188 Cb 0.52 -2.61 -0.12 0.00 0.00 0.00 0.00 32.46 30.24 2q4s n ARG 188 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.63 178.58 2q4s s THR 189 N 0.63 2.26 -0.61 5.15 -4.23 -0.07 -4.88 115.64 113.89 2q4s s THR 189 Ca 0.73 -3.65 0.00 0.00 -1.18 0.00 0.00 61.69 57.60 2q4s s THR 189 Cb -0.60 -2.51 0.00 0.00 1.34 0.00 0.00 72.50 70.72 2q4s s THR 189 CO 0.41 -0.99 0.15 -2.65 -0.54 0.00 0.00 174.62 171.00