#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 4.14 0.13 -4.62 1.43 -1.26 -5.06 118.68 113.45 2q4s s LEU 6 Ca 0.00 0.70 0.02 0.00 -1.03 0.00 0.00 54.13 53.82 2q4s s LEU 6 Cb 0.00 -2.74 -0.04 0.00 0.03 0.00 0.00 46.19 43.44 2q4s s LEU 6 CO 0.00 -0.20 0.24 -0.76 0.23 0.00 0.00 176.35 175.85 2q4s s LEU 7 N 1.71 4.23 -0.05 1.79 1.43 -1.26 -5.07 118.68 121.47 2q4s s LEU 7 Ca 0.25 0.13 -0.30 0.00 -1.03 0.00 0.00 54.13 53.18 2q4s s LEU 7 Cb -0.15 -2.82 -0.04 0.00 0.03 0.00 0.00 46.19 43.20 2q4s s LEU 7 CO 0.10 0.08 1.35 -0.75 0.23 0.00 0.00 176.35 177.36 2q4s s LYS 8 N -3.03 4.28 -0.07 1.70 2.20 -1.26 -4.98 119.74 118.58 2q4s s LYS 8 Ca 0.34 1.86 -0.30 0.00 -0.36 0.00 0.00 55.97 57.51 2q4s s LYS 8 Cb -0.11 -3.65 -0.03 0.00 -1.51 0.00 0.00 37.83 32.52 2q4s s LYS 8 CO 0.27 -0.60 1.24 -2.14 -0.36 0.00 0.00 175.35 173.77 2q4s s PRO 9 N 2.75 4.32 0.31 4.03 0.02 -1.26 -4.90 135.00 140.26 2q4s s PRO 9 Ca 0.61 1.72 0.18 0.00 0.02 0.00 0.00 61.00 63.53 2q4s s PRO 9 Cb -0.28 -3.61 0.13 0.00 0.02 0.00 0.00 34.50 30.77 2q4s s PRO 9 CO 0.23 -0.52 1.41 0.00 -0.33 0.00 0.00 177.00 177.79 2q4s h ARG 10 N 7.68 0.00 -4.45 5.54 3.08 -1.92 -3.39 114.38 120.92 2q4s h ARG 10 Ca -0.33 0.00 -0.24 0.00 0.07 0.00 0.00 59.98 59.47 2q4s h ARG 10 Cb 1.15 0.00 -0.13 0.00 0.08 0.00 0.00 29.97 31.07 2q4s h ARG 10 CO 0.90 0.27 -0.49 0.95 -1.07 0.00 0.00 179.97 180.53 2q4s s THR 11 N -3.07 0.00 0.39 2.04 -4.23 -1.26 -4.85 115.64 104.66 2q4s s THR 11 Ca 0.04 -1.88 0.09 0.00 -1.18 0.00 0.00 61.69 58.76 2q4s s THR 11 Cb 0.07 -2.46 0.18 0.00 1.34 0.00 0.00 72.50 71.63 2q4s s THR 11 CO 0.73 0.00 1.95 0.25 -0.54 0.00 0.00 174.62 177.01 2q4s h LEU 12 N 2.46 0.28 -0.26 4.79 5.85 -1.90 -0.44 115.31 126.10 2q4s h LEU 12 Ca -0.32 -0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.35 2q4s h LEU 12 Cb 1.25 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 42.19 2q4s h LEU 12 CO 0.47 0.38 0.15 0.00 -0.34 0.00 0.00 178.44 179.10 2q4s h ALA 13 N 1.66 0.33 0.00 1.25 0.00 -1.95 -0.27 119.26 120.28 2q4s h ALA 13 Ca 0.07 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 2q4s h ALA 13 Cb 0.28 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 2q4s h ALA 13 CO 0.01 -0.15 -0.21 -0.44 0.00 0.00 0.00 179.25 178.46 2q4s h ASP 14 N 0.32 0.00 -0.05 0.00 3.32 -1.71 0.28 116.42 118.57 2q4s h ASP 14 Ca 0.09 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 57.04 2q4s h ASP 14 Cb 0.04 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.60 2q4s h ASP 14 CO -0.02 0.21 -0.37 0.25 -1.72 0.00 0.00 179.24 177.59 2q4s h LEU 15 N 0.00 0.42 -0.87 1.55 5.85 -0.70 -2.77 115.31 118.79 2q4s h LEU 15 Ca -0.00 -0.68 0.08 0.00 0.84 0.00 0.00 57.88 58.11 2q4s h LEU 15 Cb 0.49 -0.12 -0.07 0.00 0.37 0.00 0.00 40.66 41.33 2q4s h LEU 15 CO 0.03 1.03 0.53 0.40 -0.34 0.00 0.00 178.44 180.09 2q4s h ILE 16 N -0.17 1.00 -0.06 4.05 2.04 -0.24 -1.46 117.51 122.67 2q4s h ILE 16 Ca -0.03 -0.32 0.04 0.00 1.00 0.00 0.00 64.86 65.54 2q4s h ILE 16 Cb 1.04 -0.02 -0.06 0.00 -0.74 0.00 0.00 36.82 37.04 2q4s h ILE 16 CO 0.08 0.17 -0.42 -0.09 0.00 0.00 0.00 178.15 177.89 2q4s h ARG 17 N 0.93 -0.52 -0.57 2.37 2.43 -0.95 -2.37 114.38 115.71 2q4s h ARG 17 Ca 0.39 0.04 -0.08 0.00 -0.81 0.00 0.00 59.98 59.52 2q4s h ARG 17 Cb 0.25 0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.89 2q4s h ARG 17 CO -0.20 -0.34 0.05 0.82 -1.51 0.00 0.00 179.97 178.79 2q4s h ILE 18 N -0.54 1.25 -0.86 1.20 2.04 -1.13 -2.89 117.51 116.59 2q4s h ILE 18 Ca 0.06 -1.02 0.04 0.00 1.00 0.00 0.00 64.86 64.94 2q4s h ILE 18 Cb 0.64 0.76 -0.05 0.00 -0.74 0.00 0.00 36.82 37.43 2q4s h ILE 18 CO -0.35 0.37 0.55 -0.07 0.00 0.00 0.00 178.15 178.65 2q4s h LEU 19 N 0.88 0.91 -1.61 1.44 3.38 -0.92 0.21 115.31 119.59 2q4s h LEU 19 Ca 0.17 -0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.10 2q4s h LEU 19 Cb 0.45 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 2q4s h LEU 19 CO 0.02 0.62 -0.20 0.45 0.09 0.00 0.00 178.44 179.41 2q4s h HIS 20 N 1.06 0.00 -0.19 1.13 3.86 -1.23 -1.64 115.15 118.14 2q4s h HIS 20 Ca 0.35 0.00 -0.12 0.00 -1.16 0.00 0.00 60.37 59.44 2q4s h HIS 20 Cb 0.03 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.50 2q4s h HIS 20 CO -0.02 0.20 -0.35 0.93 0.86 0.00 0.00 177.93 179.55 2q4s h GLU 21 N 0.00 0.57 -0.67 2.45 5.08 -0.61 -2.82 114.58 118.57 2q4s h GLU 21 Ca -0.00 -0.36 -0.02 0.00 -1.00 0.00 0.00 59.36 57.98 2q4s h GLU 21 Cb 0.37 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.63 2q4s h GLU 21 CO 0.03 0.97 0.33 -0.07 -1.00 0.00 0.00 179.01 179.27 2q4s h LEU 22 N 0.23 0.87 -2.08 1.33 3.38 -0.37 -2.34 115.31 116.33 2q4s h LEU 22 Ca 0.01 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.86 2q4s h LEU 22 Cb 0.94 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.47 2q4s h LEU 22 CO 0.08 0.75 0.00 0.49 0.09 0.00 0.00 178.44 179.84 2q4s n PHE 23 N -4.48 0.93 0.95 1.13 3.72 -0.65 -4.39 117.46 114.68 2q4s n PHE 23 Ca 0.05 -0.34 0.00 0.00 -0.05 0.00 0.00 57.45 57.11 2q4s n PHE 23 Cb 0.12 -0.24 0.00 0.00 -0.94 0.00 0.00 39.48 38.42 2q4s n PHE 23 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2q4s n ALA 24 N 0.39 2.07 -3.00 4.37 0.00 -0.88 -4.74 120.51 118.72 2q4s n ALA 24 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.58 2q4s n ALA 24 Cb 0.63 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.08 2q4s n ALA 24 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2q4s n GLY 25 N 0.17 5.40 0.01 0.00 0.00 -1.26 -5.09 105.19 104.41 2q4s n GLY 25 Ca 0.00 -1.32 0.11 0.00 0.00 0.00 0.00 46.02 44.81 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 0.00 0.03 -3.74 1.61 9.92 -1.26 -4.99 116.55 118.12 2q4s n ASP 26 Ca 0.00 -0.03 -0.19 0.00 -0.53 0.00 0.00 54.79 54.04 2q4s n ASP 26 Cb 0.00 1.97 -0.03 0.00 -0.64 0.00 0.00 41.12 42.42 2q4s n ASP 26 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 2q4s n GLU 27 N -2.24 1.14 -3.94 -1.24 -0.58 -1.26 -5.14 120.64 107.37 2q4s n GLU 27 Ca -0.04 -2.30 -0.21 0.00 -0.42 0.00 0.00 57.16 54.19 2q4s n GLU 27 Cb 0.56 0.50 -0.17 0.00 -0.57 0.00 0.00 31.44 31.77 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 -2.02 0.40 -0.82 2.62 1.01 -1.26 -4.86 120.40 115.45 2q4s s VAL 28 Ca 0.06 0.03 -0.19 0.00 0.00 0.00 0.00 61.98 61.88 2q4s s VAL 28 Cb -0.01 -0.49 0.13 0.00 0.00 0.00 0.00 36.38 36.01 2q4s s VAL 28 CO 0.04 0.23 0.99 0.21 0.00 0.00 0.00 175.10 176.56 2q4s s ASN 29 N 1.41 6.51 0.51 3.32 3.84 -1.26 -4.85 114.94 124.42 2q4s s ASN 29 Ca -0.04 -1.90 0.19 0.00 0.21 0.00 0.00 52.86 51.33 2q4s s ASN 29 Cb -0.13 -2.36 1.27 0.00 -0.55 0.00 0.00 41.25 39.48 2q4s s ASN 29 CO -0.03 -1.05 2.06 0.58 -2.79 0.00 0.00 177.10 175.87 2q4s h VAL 30 N 5.72 0.88 0.13 -5.21 2.07 -2.00 -2.17 116.25 115.68 2q4s h VAL 30 Ca 0.02 -0.03 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 2q4s h VAL 30 Cb 1.04 0.80 0.00 0.00 -1.52 0.00 0.00 31.29 31.62 2q4s h VAL 30 CO 1.07 0.01 -0.06 -0.33 0.02 0.00 0.00 177.57 178.28 2q4s h GLU 31 N 0.07 -0.17 -0.01 1.57 4.39 -2.00 -2.21 114.58 116.22 2q4s h GLU 31 Ca 0.14 0.01 -0.12 0.00 0.34 0.00 0.00 59.36 59.73 2q4s h GLU 31 Cb 0.48 0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.15 2q4s h GLU 31 CO -0.01 -0.05 -0.57 0.93 -1.16 0.00 0.00 179.01 178.15 2q4s h GLU 32 N -0.25 0.02 -0.27 2.33 5.08 -1.83 -2.87 114.58 116.79 2q4s h GLU 32 Ca -0.02 -0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.29 2q4s h GLU 32 Cb 0.20 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 2q4s h GLU 32 CO 0.03 0.58 0.02 0.28 -1.00 0.00 0.00 179.01 178.92 2q4s h VAL 33 N 0.01 1.25 -0.04 3.13 2.07 -1.35 -2.07 116.25 119.25 2q4s h VAL 33 Ca -0.01 -0.86 -0.06 0.00 0.82 0.00 0.00 66.70 66.59 2q4s h VAL 33 Cb 1.01 1.29 -0.01 0.00 -1.52 0.00 0.00 31.29 32.06 2q4s h VAL 33 CO 0.07 0.27 -0.28 -0.61 0.02 0.00 0.00 177.57 177.05 2q4s h GLN 34 N 0.25 0.07 -0.11 1.57 4.15 -1.36 -0.31 115.11 119.37 2q4s h GLN 34 Ca 0.08 -0.02 -0.22 0.00 0.77 0.00 0.00 58.65 59.26 2q4s h GLN 34 Cb 0.38 -0.01 0.01 0.00 0.21 0.00 0.00 27.48 28.08 2q4s h GLN 34 CO 0.01 0.34 -0.79 0.00 -1.93 0.00 0.00 178.83 176.47 2q4s h ALA 35 N 1.66 0.24 0.06 3.38 0.00 -1.40 -1.86 119.26 121.35 2q4s h ALA 35 Ca 0.01 -0.61 -0.26 0.00 0.00 0.00 0.00 54.91 54.05 2q4s h ALA 35 Cb 0.53 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.33 2q4s h ALA 35 CO 0.04 0.62 -1.10 -0.24 0.00 0.00 0.00 179.25 178.57 2q4s h VAL 36 N 0.42 1.37 -0.49 0.00 3.04 -1.22 0.34 116.25 119.71 2q4s h VAL 36 Ca -0.07 -2.55 -0.02 0.00 -1.01 0.00 0.00 66.70 63.06 2q4s h VAL 36 Cb 1.43 2.59 -0.02 0.00 -2.01 0.00 0.00 31.29 33.28 2q4s h VAL 36 CO 0.16 0.76 0.24 -0.07 -1.01 0.00 0.00 177.57 177.65 2q4s h LEU 37 N 0.23 0.64 -1.24 3.16 3.38 -1.14 0.11 115.31 120.45 2q4s h LEU 37 Ca -0.13 -0.13 -0.07 0.00 0.09 0.00 0.00 57.88 57.65 2q4s h LEU 37 Cb 1.76 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 42.33 2q4s h LEU 37 CO 0.20 0.59 -0.19 -0.08 0.09 0.00 0.00 178.44 179.04 2q4s h GLU 38 N 0.65 0.28 0.00 1.13 4.81 -1.23 -2.92 114.58 117.30 2q4s h GLU 38 Ca 0.17 -0.08 -0.10 0.00 -0.13 0.00 0.00 59.36 59.22 2q4s h GLU 38 Cb 0.12 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.45 2q4s h GLU 38 CO -0.02 0.47 -0.46 0.00 -0.73 0.00 0.00 179.01 178.27 2q4s h ALA 39 N 1.54 1.08 -2.27 2.92 0.00 0.11 -3.42 119.26 119.22 2q4s h ALA 39 Ca 0.05 -0.42 -0.55 0.00 0.00 0.00 0.00 54.91 53.99 2q4s h ALA 39 Cb 0.50 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 2q4s h ALA 39 CO 0.03 0.58 1.01 -0.47 0.00 0.00 0.00 179.25 180.40 2q4s s TYR 40 N -3.75 2.29 -0.21 0.00 5.04 -0.12 -4.59 117.35 116.02 2q4s s TYR 40 Ca -0.01 0.44 -0.23 0.00 -2.44 0.00 0.00 57.07 54.83 2q4s s TYR 40 Cb 0.12 -3.81 -0.02 0.00 0.35 0.00 0.00 41.96 38.61 2q4s s TYR 40 CO 0.72 -3.27 0.73 -1.21 -1.34 0.00 0.00 175.55 171.18 2q4s s GLU 41 N 3.60 4.21 0.18 4.97 0.41 -1.26 -4.98 118.70 125.83 2q4s s GLU 41 Ca 0.69 0.78 -0.33 0.00 -0.41 0.00 0.00 54.97 55.70 2q4s s GLU 41 Cb -0.31 -3.60 -0.14 0.00 -1.78 0.00 0.00 34.13 28.29 2q4s s GLU 41 CO 0.27 -0.35 1.40 0.45 -0.49 0.00 0.00 175.26 176.54 2q4s n SER 42 N 5.39 2.41 -3.83 -0.19 2.88 -1.26 -4.89 113.62 114.13 2q4s n SER 42 Ca 0.02 1.12 -0.30 0.00 -1.33 0.00 0.00 58.87 58.38 2q4s n SER 42 Cb 0.49 -1.35 -0.15 0.00 -0.75 0.00 0.00 64.21 62.45 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 0.45 3.96 0.42 -3.46 3.84 -1.26 -5.03 114.94 113.86 2q4s s ASN 43 Ca 0.75 -1.50 0.21 0.00 0.21 0.00 0.00 52.86 52.53 2q4s s ASN 43 Cb -0.75 -1.03 1.18 0.00 -0.55 0.00 0.00 41.25 40.10 2q4s s ASN 43 CO 0.46 -0.35 1.79 -0.65 -2.79 0.00 0.00 177.10 175.56 2q4s h PRO 44 N 8.00 0.32 0.00 0.43 0.11 -1.93 0.19 132.00 139.12 2q4s h PRO 44 Ca -0.13 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 65.91 2q4s h PRO 44 Cb 1.04 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.08 2q4s h PRO 44 CO 0.45 0.21 -0.21 0.00 -0.21 0.00 0.00 178.00 178.23 2q4s h ALA 45 N 1.59 1.08 0.00 -0.75 0.00 -2.00 -1.46 119.26 117.72 2q4s h ALA 45 Ca 0.57 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 55.24 2q4s h ALA 45 Cb 1.58 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.33 2q4s h ALA 45 CO -0.24 0.27 -0.21 0.93 0.00 0.00 0.00 179.25 180.00 2q4s h GLU 46 N 0.00 0.00 0.00 0.00 5.08 -1.39 -3.34 114.58 114.93 2q4s h GLU 46 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2q4s h GLU 46 Cb 0.66 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.91 2q4s h GLU 46 CO 0.03 0.21 0.00 -2.67 -1.00 0.00 0.00 179.01 175.58 2q4s n TRP 47 N -3.21 0.00 0.01 4.33 4.27 -1.15 -4.77 117.44 116.91 2q4s n TRP 47 Ca 0.02 -0.10 0.22 0.00 -3.89 0.00 0.00 57.50 53.75 2q4s n TRP 47 Cb 0.54 -0.01 0.73 0.00 -1.36 0.00 0.00 31.31 31.21 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 2.39 0.00 -1.67 0.00 -1.39 0.17 119.26 118.75 2q4s h ALA 48 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2q4s h ALA 48 Cb 0.24 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.07 2q4s h ALA 48 CO 0.00 -0.76 0.00 1.25 0.00 0.00 0.00 179.25 179.74 2q4s h LEU 49 N 0.00 0.00 0.00 0.00 5.85 -1.86 -2.88 115.31 116.42 2q4s h LEU 49 Ca 0.26 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.98 2q4s h LEU 49 Cb 1.20 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.23 2q4s h LEU 49 CO -0.00 0.00 -1.07 -1.22 -0.34 0.00 0.00 178.44 175.81 2q4s n TYR 50 N -2.32 0.00 -2.49 1.25 4.01 0.04 -4.37 117.16 113.29 2q4s n TYR 50 Ca 0.01 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.32 2q4s n TYR 50 Cb 0.17 -0.14 0.00 0.00 -0.31 0.00 0.00 39.34 39.07 2q4s n TYR 50 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2q4s n ALA 51 N -1.61 5.10 -2.78 -0.72 0.00 -1.09 -4.75 120.51 114.66 2q4s n ALA 51 Ca 0.00 -4.34 -0.44 0.00 0.00 0.00 0.00 53.44 48.66 2q4s n ALA 51 Cb 0.26 -2.95 -0.07 0.00 0.00 0.00 0.00 19.45 16.69 2q4s n ALA 51 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2q4s s LYS 52 N 0.37 3.06 0.54 0.00 1.02 -1.26 -5.01 119.74 118.46 2q4s s LYS 52 Ca 0.39 -1.07 -0.18 0.00 0.02 0.00 0.00 55.97 55.13 2q4s s LYS 52 Cb 0.07 -4.10 -0.06 0.00 -0.52 0.00 0.00 37.83 33.22 2q4s s LYS 52 CO 0.01 -1.11 1.06 -0.06 -0.92 0.00 0.00 175.35 174.33 2q4s s PHE 53 N 2.18 2.94 -0.08 3.18 0.08 -1.26 -4.90 117.98 120.12 2q4s s PHE 53 Ca 0.10 1.54 0.00 0.00 0.12 0.00 0.00 56.93 58.70 2q4s s PHE 53 Cb -0.21 -3.07 0.02 0.00 -0.57 0.00 0.00 43.02 39.19 2q4s s PHE 53 CO 0.10 -1.06 -0.07 0.34 -0.10 0.00 0.00 175.22 174.43 2q4s s ASP 54 N -2.31 1.74 0.45 1.36 2.15 -1.26 -5.06 116.67 113.74 2q4s s ASP 54 Ca 0.66 -0.24 0.20 0.00 0.43 0.00 0.00 52.55 53.61 2q4s s ASP 54 Cb -0.17 -0.70 1.17 0.00 -0.30 0.00 0.00 42.92 42.92 2q4s s ASP 54 CO 0.28 -0.08 1.89 -0.61 -0.17 0.00 0.00 175.17 176.48 2q4s h GLN 55 N 7.67 0.30 0.00 4.34 4.15 -2.02 -3.33 115.11 126.22 2q4s h GLN 55 Ca -0.30 -0.02 -0.07 0.00 0.77 0.00 0.00 58.65 59.03 2q4s h GLN 55 Cb 1.15 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 28.76 2q4s h GLN 55 CO 0.42 0.20 -0.40 1.88 -1.93 0.00 0.00 178.83 178.99 2q4s h TYR 56 N 0.31 0.00 -1.29 3.99 0.05 -2.00 -3.49 116.97 114.53 2q4s h TYR 56 Ca 0.42 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.20 2q4s h TYR 56 Cb 1.18 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.92 2q4s h TYR 56 CO -0.00 1.08 0.00 2.89 -1.05 0.00 0.00 178.16 181.08 2q4s n ARG 57 N -4.56 0.00 -2.93 4.88 1.85 -1.25 -4.96 116.66 109.69 2q4s n ARG 57 Ca -0.16 0.00 -0.20 0.00 -1.00 0.00 0.00 57.85 56.48 2q4s n ARG 57 Cb 0.51 0.00 0.02 0.00 -1.05 0.00 0.00 32.46 31.94 2q4s n ARG 57 CO 0.00 0.00 0.00 1.52 -0.01 0.00 0.00 177.63 179.14 2q4s s TYR 58 N -1.61 2.99 0.17 2.89 -0.85 -1.26 -4.56 117.35 115.11 2q4s s TYR 58 Ca 0.00 -0.05 0.01 0.00 -0.52 0.00 0.00 57.07 56.51 2q4s s TYR 58 Cb 0.00 -2.45 -0.04 0.00 0.38 0.00 0.00 41.96 39.84 2q4s s TYR 58 CO 0.00 -0.52 0.02 0.95 -1.52 0.00 0.00 175.55 174.48 2q4s s THR 59 N -2.54 0.51 -0.10 -3.49 -4.23 -1.26 -5.06 115.64 99.48 2q4s s THR 59 Ca 0.53 -1.96 0.04 0.00 -1.18 0.00 0.00 61.69 59.11 2q4s s THR 59 Cb -0.10 -2.13 0.00 0.00 1.34 0.00 0.00 72.50 71.61 2q4s s THR 59 CO 0.36 -0.44 -0.24 -0.13 -0.54 0.00 0.00 174.62 173.63 2q4s s ARG 60 N -3.96 3.04 -0.28 3.99 0.52 -1.26 -4.06 118.95 116.94 2q4s s ARG 60 Ca 0.25 -0.88 0.01 0.00 -0.52 0.00 0.00 55.73 54.59 2q4s s ARG 60 Cb 0.07 -2.30 0.08 0.00 0.52 0.00 0.00 34.95 33.32 2q4s s ARG 60 CO 0.04 0.18 0.03 -0.80 0.02 0.00 0.00 175.30 174.76 2q4s s ASN 61 N 0.34 4.10 0.31 0.23 0.01 -0.06 0.77 114.94 120.65 2q4s s ASN 61 Ca -0.19 -1.56 -0.29 0.00 -0.71 0.00 0.00 52.86 50.11 2q4s s ASN 61 Cb -0.18 -1.17 -0.10 0.00 0.41 0.00 0.00 41.25 40.21 2q4s s ASN 61 CO 0.09 -0.33 1.43 -0.22 -1.51 0.00 0.00 177.10 176.56 2q4s s LEU 62 N 1.36 4.38 -0.08 0.60 2.96 -0.23 -0.82 118.68 126.85 2q4s s LEU 62 Ca 0.04 2.80 0.01 0.00 -0.22 0.00 0.00 54.13 56.76 2q4s s LEU 62 Cb -0.18 -3.64 -0.06 0.00 0.50 0.00 0.00 46.19 42.81 2q4s s LEU 62 CO -0.13 -0.72 -0.06 0.52 -1.32 0.00 0.00 176.35 174.64 2q4s n VAL 63 N 1.47 0.46 -3.65 1.68 0.31 -0.45 -1.68 118.33 116.48 2q4s n VAL 63 Ca 0.04 -0.19 -0.10 0.00 -0.01 0.00 0.00 64.34 64.07 2q4s n VAL 63 Cb 0.40 -0.80 -0.07 0.00 -0.91 0.00 0.00 33.84 32.46 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 -4.61 -0.81 0.00 4.52 2.15 -1.05 -4.74 116.67 112.12 2q4s s ASP 64 Ca -0.10 1.41 0.17 0.00 0.43 0.00 0.00 52.55 54.46 2q4s s ASP 64 Cb 0.03 1.34 0.62 0.00 -0.30 0.00 0.00 42.92 44.61 2q4s s ASP 64 CO 0.20 -0.23 1.46 0.00 -0.17 0.00 0.00 175.17 176.42 2q4s n GLN 65 N 3.62 1.69 -3.89 4.34 6.02 -1.26 -0.32 117.38 127.58 2q4s n GLN 65 Ca -0.18 -1.05 -0.31 0.00 -0.01 0.00 0.00 57.00 55.45 2q4s n GLN 65 Cb 0.57 -1.34 0.01 0.00 1.02 0.00 0.00 30.24 30.49 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 1.07 -0.48 3.31 1.08 0.00 -0.93 -1.38 105.19 107.86 2q4s n GLY 66 Ca 0.14 0.16 -0.21 0.00 0.00 0.00 0.00 46.02 46.11 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 -2.68 -2.92 0.00 1.61 4.13 -1.26 -0.11 115.26 114.03 2q4s n ASN 67 Ca 0.04 -0.31 0.00 0.00 1.68 0.00 0.00 54.58 55.99 2q4s n ASN 67 Cb 0.52 -2.47 0.00 0.00 -1.54 0.00 0.00 39.78 36.29 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 -1.00 2.26 0.13 7.41 0.00 -0.48 -4.88 105.19 108.63 2q4s n GLY 68 Ca -0.00 0.00 0.03 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 2.49 0.00 -2.44 1.61 1.79 -0.67 -3.43 116.57 115.93 2q4s h LYS 69 Ca 0.00 0.00 0.09 0.00 -2.18 0.00 0.00 60.65 58.56 2q4s h LYS 69 Cb 0.00 0.00 -0.14 0.00 -1.58 0.00 0.00 32.23 30.51 2q4s h LYS 69 CO 0.00 0.36 0.43 -0.59 -1.08 0.00 0.00 179.45 178.57 2q4s s PHE 70 N -3.01 -0.37 -0.25 -1.35 -0.12 -1.25 -4.21 117.98 107.42 2q4s s PHE 70 Ca 0.02 0.21 -0.02 0.00 -0.05 0.00 0.00 56.93 57.09 2q4s s PHE 70 Cb 0.08 0.55 0.02 0.00 -0.63 0.00 0.00 43.02 43.04 2q4s s PHE 70 CO 0.76 -0.63 -0.04 -0.80 -0.05 0.00 0.00 175.22 174.46 2q4s s ASN 71 N -2.57 4.44 0.37 1.98 0.01 -0.96 -2.19 114.94 116.03 2q4s s ASN 71 Ca 0.05 -0.83 0.00 0.00 -0.71 0.00 0.00 52.86 51.37 2q4s s ASN 71 Cb -0.01 -1.70 -0.03 0.00 0.41 0.00 0.00 41.25 39.92 2q4s s ASN 71 CO -0.09 -0.13 0.59 -0.22 -1.51 0.00 0.00 177.10 175.73 2q4s s LEU 72 N 1.36 3.93 -0.00 0.60 2.96 0.56 -2.99 118.68 125.10 2q4s s LEU 72 Ca 0.01 0.47 0.00 0.00 -0.22 0.00 0.00 54.13 54.39 2q4s s LEU 72 Cb -0.17 -3.34 0.00 0.00 0.50 0.00 0.00 46.19 43.18 2q4s s LEU 72 CO -0.03 -0.37 -0.00 -0.63 -1.32 0.00 0.00 176.35 173.99 2q4s s ILE 74 N -2.39 0.04 -0.28 6.68 1.01 0.00 -1.34 121.20 124.92 2q4s s ILE 74 Ca 0.42 -0.01 0.01 0.00 0.00 0.00 0.00 60.65 61.06 2q4s s ILE 74 Cb -0.10 -0.05 0.08 0.00 0.01 0.00 0.00 42.46 42.40 2q4s s ILE 74 CO 0.37 0.02 0.03 -0.76 0.00 0.00 0.00 174.94 174.60 2q4s s LEU 75 N 0.06 2.78 0.72 2.97 1.02 0.15 -0.88 118.68 125.50 2q4s s LEU 75 Ca -0.00 -1.52 -0.11 0.00 0.02 0.00 0.00 54.13 52.52 2q4s s LEU 75 Cb -0.01 -1.10 0.03 0.00 0.02 0.00 0.00 46.19 45.12 2q4s s LEU 75 CO -0.00 -0.34 1.07 0.00 0.02 0.00 0.00 176.35 177.10 2q4s s TRP 77 N -2.95 0.07 0.92 0.00 0.52 0.65 -4.23 118.94 113.92 2q4s s TRP 77 Ca 0.60 0.08 -0.14 0.00 0.02 0.00 0.00 56.10 56.66 2q4s s TRP 77 Cb -0.15 -0.53 0.15 0.00 -1.15 0.00 0.00 33.47 31.78 2q4s s TRP 77 CO 0.54 -0.33 1.20 0.20 0.02 0.00 0.00 176.95 178.58 2q4s s GLY 78 N 2.18 1.64 0.17 0.98 0.00 -1.26 0.13 107.32 111.16 2q4s s GLY 78 Ca 0.04 -0.80 -0.32 0.00 0.00 0.00 0.00 44.72 43.64 2q4s s GLY 78 CO -0.06 -0.17 1.76 1.18 0.00 0.00 0.00 173.10 175.81 2q4s n GLU 79 N -3.71 2.75 -0.27 2.90 4.71 -1.25 -1.38 120.64 124.39 2q4s n GLU 79 Ca 0.10 1.00 0.00 0.00 -0.01 0.00 0.00 57.16 58.25 2q4s n GLU 79 Cb 0.60 -2.86 0.00 0.00 -1.01 0.00 0.00 31.44 28.17 2q4s n GLU 79 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2q4s n GLY 80 N 4.05 2.10 3.76 0.62 0.00 0.40 -4.95 105.19 111.17 2q4s n GLY 80 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 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 -3.14 3.20 0.32 1.61 3.76 -0.48 -4.73 115.29 115.83 2q4s s HIS 81 Ca 0.00 1.45 -0.18 0.00 -0.15 0.00 0.00 55.06 56.17 2q4s s HIS 81 Cb 0.00 -3.58 0.03 0.00 1.11 0.00 0.00 32.58 30.14 2q4s s HIS 81 CO 0.00 -1.57 0.72 0.20 -0.85 0.00 0.00 174.74 173.24 2q4s s GLY 82 N -0.44 0.15 0.46 -2.22 0.00 -1.26 0.10 107.32 104.11 2q4s s GLY 82 Ca 0.49 -0.53 0.08 0.00 0.00 0.00 0.00 44.72 44.76 2q4s s GLY 82 CO 0.48 -0.22 0.53 -1.35 0.00 0.00 0.00 173.10 172.53 2q4s s SER 83 N -2.99 5.23 0.78 1.64 1.04 0.30 -4.76 113.70 114.94 2q4s s SER 83 Ca 0.14 -0.71 -0.04 0.00 0.48 0.00 0.00 55.95 55.82 2q4s s SER 83 Cb -0.05 -0.33 0.08 0.00 0.10 0.00 0.00 66.02 65.82 2q4s s SER 83 CO 0.09 -0.87 0.49 -1.54 0.98 0.00 0.00 173.24 172.39 2q4s n SER 84 N -1.81 0.29 -4.71 7.02 3.41 -1.26 -4.51 113.62 112.05 2q4s n SER 84 Ca 0.07 -1.33 -0.40 0.00 -0.26 0.00 0.00 58.87 56.95 2q4s n SER 84 Cb 0.61 -0.35 -0.04 0.00 -0.26 0.00 0.00 64.21 64.17 2q4s n SER 84 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2q4s s ILE 85 N -1.70 5.00 0.30 -1.33 1.01 -1.25 -4.48 121.20 118.74 2q4s s ILE 85 Ca 0.29 1.53 0.01 0.00 0.00 0.00 0.00 60.65 62.48 2q4s s ILE 85 Cb -0.01 -4.08 -0.02 0.00 0.01 0.00 0.00 42.46 38.36 2q4s s ILE 85 CO 0.20 0.21 0.32 -1.38 0.00 0.00 0.00 174.94 174.29 2q4s s HIS 86 N 1.04 1.28 0.00 3.97 -3.43 -1.00 0.11 115.29 117.26 2q4s s HIS 86 Ca 0.39 -1.40 0.00 0.00 -0.80 0.00 0.00 55.06 53.25 2q4s s HIS 86 Cb -0.18 -0.40 0.00 0.00 -1.43 0.00 0.00 32.58 30.57 2q4s s HIS 86 CO 0.18 -0.91 0.00 -0.40 -2.00 0.00 0.00 174.74 171.61 2q4s n ASP 87 N -1.11 1.76 -2.73 7.38 5.68 -1.13 -3.20 116.55 123.19 2q4s n ASP 87 Ca 0.03 -0.92 -0.03 0.00 -0.50 0.00 0.00 54.79 53.37 2q4s n ASP 87 Cb 0.63 0.00 0.05 0.00 -1.14 0.00 0.00 41.12 40.65 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 -0.11 1.46 -4.22 2.11 8.25 -1.26 -4.75 115.22 116.70 2q4s n HIS 88 Ca 0.00 -2.15 -0.36 0.00 -0.26 0.00 0.00 57.72 54.95 2q4s n HIS 88 Cb 0.00 -0.24 -0.06 0.00 1.12 0.00 0.00 29.99 30.81 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 -0.61 -1.72 -1.44 1.59 -1.04 -1.26 -0.88 114.28 108.91 2q4s n THR 89 Ca 0.12 -0.54 -0.12 0.00 -2.04 0.00 0.00 64.05 61.47 2q4s n THR 89 Cb 0.82 -1.54 -0.05 0.00 -1.82 0.00 0.00 70.33 67.74 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 -2.67 -3.34 -4.61 8.00 8.00 -1.26 -4.93 116.55 115.74 2q4s n ASP 90 Ca -0.26 0.30 -0.25 0.00 0.71 0.00 0.00 54.79 55.29 2q4s n ASP 90 Cb 0.66 -3.12 -0.09 0.00 -0.02 0.00 0.00 41.12 38.54 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 -2.06 4.05 0.57 -2.24 0.01 -0.06 -4.84 113.70 109.13 2q4s s SER 91 Ca 0.00 -1.08 -0.17 0.00 1.31 0.00 0.00 55.95 56.01 2q4s s SER 91 Cb 0.00 -0.47 -0.05 0.00 0.21 0.00 0.00 66.02 65.71 2q4s s SER 91 CO 0.00 -0.26 1.05 -1.00 0.41 0.00 0.00 173.24 173.44 2q4s s HIS 92 N -2.56 3.00 -0.08 2.43 3.76 0.18 -4.55 115.29 117.47 2q4s s HIS 92 Ca 0.35 1.52 -0.03 0.00 -0.15 0.00 0.00 55.06 56.75 2q4s s HIS 92 Cb 0.02 -3.02 0.05 0.00 1.11 0.00 0.00 32.58 30.73 2q4s s HIS 92 CO 0.19 -1.05 0.15 0.00 -0.85 0.00 0.00 174.74 173.17 2q4s s PHE 94 N 2.27 2.42 -0.10 0.00 0.08 0.54 -0.73 117.98 122.45 2q4s s PHE 94 Ca 0.03 -0.61 -0.01 0.00 0.12 0.00 0.00 56.93 56.46 2q4s s PHE 94 Cb -0.12 -1.57 0.03 0.00 -0.57 0.00 0.00 43.02 40.79 2q4s s PHE 94 CO -0.05 -0.15 -0.01 -1.17 -0.10 0.00 0.00 175.22 173.74 2q4s s LEU 95 N -0.32 0.84 -0.09 -0.37 0.20 0.10 -0.27 118.68 118.77 2q4s s LEU 95 Ca 0.01 -0.27 0.03 0.00 0.69 0.00 0.00 54.13 54.60 2q4s s LEU 95 Cb -0.12 -0.57 -0.01 0.00 -0.43 0.00 0.00 46.19 45.06 2q4s s LEU 95 CO 0.02 -0.20 -0.20 -0.75 -0.29 0.00 0.00 176.35 174.94 2q4s s LYS 96 N 1.89 2.95 0.09 1.98 2.20 0.17 -0.45 119.74 128.57 2q4s s LYS 96 Ca 0.04 -0.81 -0.30 0.00 -0.36 0.00 0.00 55.97 54.54 2q4s s LYS 96 Cb -0.13 -2.37 -0.05 0.00 -1.51 0.00 0.00 37.83 33.76 2q4s s LYS 96 CO -0.06 0.30 1.04 -0.51 -0.36 0.00 0.00 175.35 175.75 2q4s s LEU 97 N 0.08 4.44 -0.06 5.43 2.01 -0.52 0.32 118.68 130.38 2q4s s LEU 97 Ca -0.09 1.87 0.18 0.00 0.01 0.00 0.00 54.13 56.10 2q4s s LEU 97 Cb -0.15 -3.59 -0.28 0.00 0.01 0.00 0.00 46.19 42.18 2q4s s LEU 97 CO 0.06 -0.22 0.34 0.18 1.01 0.00 0.00 176.35 177.72 2q4s n LEU 98 N 3.17 0.00 -3.64 1.79 4.77 0.21 -1.02 117.00 122.28 2q4s n LEU 98 Ca 0.04 0.00 -0.02 0.00 -0.03 0.00 0.00 56.01 56.00 2q4s n LEU 98 Cb 0.48 0.09 -0.05 0.00 -2.33 0.00 0.00 43.42 41.62 2q4s n LEU 98 CO 0.53 0.09 0.30 -1.58 -1.33 0.00 0.00 177.39 175.40 2q4s s GLN 99 N -3.13 0.60 0.96 3.23 0.74 -0.41 -4.84 119.66 116.80 2q4s s GLN 99 Ca -0.07 1.37 0.00 0.00 0.05 0.00 0.00 55.36 56.70 2q4s s GLN 99 Cb 0.11 0.67 0.00 0.00 1.10 0.00 0.00 33.01 34.89 2q4s s GLN 99 CO 0.78 -0.18 0.00 0.41 -0.55 0.00 0.00 175.29 175.74 2q4s n GLY 100 N 5.13 -1.74 3.16 2.59 0.00 -1.26 -0.35 105.19 112.72 2q4s n GLY 100 Ca -0.14 -1.65 -0.10 0.00 0.00 0.00 0.00 46.02 44.13 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 0.88 0.02 1.61 0.01 -1.26 -1.86 114.94 110.35 2q4s s ASN 101 Ca 0.00 -1.07 0.01 0.00 -0.71 0.00 0.00 52.86 51.09 2q4s s ASN 101 Cb 0.00 0.15 -0.02 0.00 0.41 0.00 0.00 41.25 41.80 2q4s s ASN 101 CO 0.00 -0.56 -0.05 -0.76 -1.51 0.00 0.00 177.10 174.22 2q4s s LEU 102 N -3.04 2.18 -0.01 0.60 1.43 -0.52 -4.61 118.68 114.70 2q4s s LEU 102 Ca 0.15 -0.40 -0.18 0.00 -1.03 0.00 0.00 54.13 52.66 2q4s s LEU 102 Cb 0.06 -0.08 -0.05 0.00 0.03 0.00 0.00 46.19 46.15 2q4s s LEU 102 CO -0.03 -0.17 0.52 -0.75 0.23 0.00 0.00 176.35 176.14 2q4s s LYS 103 N -1.14 4.20 -0.19 1.70 2.20 0.51 -0.79 119.74 126.23 2q4s s LYS 103 Ca -0.09 0.59 0.01 0.00 -0.36 0.00 0.00 55.97 56.12 2q4s s LYS 103 Cb -0.08 -3.31 0.03 0.00 -1.51 0.00 0.00 37.83 32.96 2q4s s LYS 103 CO -0.00 0.46 -0.15 -2.00 -0.36 0.00 0.00 175.35 173.29 2q4s s GLU 104 N -0.41 2.52 -0.27 4.03 2.12 -0.28 -0.55 118.70 125.85 2q4s s GLU 104 Ca 0.28 -0.83 -0.09 0.00 0.36 0.00 0.00 54.97 54.69 2q4s s GLU 104 Cb -0.17 -2.46 -0.03 0.00 0.26 0.00 0.00 34.13 31.73 2q4s s GLU 104 CO 0.15 -0.31 0.12 0.99 -0.54 0.00 0.00 175.26 175.68 2q4s s THR 105 N 1.34 4.65 0.00 -1.70 2.01 -0.41 -2.62 115.64 118.92 2q4s s THR 105 Ca 0.02 -0.14 -0.18 0.00 0.31 0.00 0.00 61.69 61.70 2q4s s THR 105 Cb -0.14 -3.24 -0.06 0.00 0.01 0.00 0.00 72.50 69.07 2q4s s THR 105 CO -0.10 0.25 0.50 -0.76 -0.69 0.00 0.00 174.62 173.82 2q4s s LEU 106 N 1.65 4.45 0.06 4.42 1.43 0.66 -0.40 118.68 130.95 2q4s s LEU 106 Ca 0.06 1.07 0.03 0.00 -1.03 0.00 0.00 54.13 54.26 2q4s s LEU 106 Cb -0.16 -2.76 -0.03 0.00 0.03 0.00 0.00 46.19 43.27 2q4s s LEU 106 CO 0.06 0.22 -0.09 -0.36 0.23 0.00 0.00 176.35 176.41 2q4s s PHE 107 N -0.65 0.83 0.36 0.29 0.08 -1.00 0.61 117.98 118.50 2q4s s PHE 107 Ca 0.27 -0.53 -0.04 0.00 0.12 0.00 0.00 56.93 56.74 2q4s s PHE 107 Cb -0.18 -0.48 -0.05 0.00 -0.57 0.00 0.00 43.02 41.75 2q4s s PHE 107 CO 0.15 -0.05 0.63 -0.51 -0.10 0.00 0.00 175.22 175.34 2q4s s ASP 108 N -1.79 6.38 0.30 1.36 1.01 -1.26 -1.21 116.67 121.46 2q4s s ASP 108 Ca -0.06 0.75 -0.30 0.00 0.71 0.00 0.00 52.55 53.66 2q4s s ASP 108 Cb -0.08 -2.16 -0.12 0.00 1.01 0.00 0.00 42.92 41.56 2q4s s ASP 108 CO 0.00 -0.33 1.52 0.79 0.21 0.00 0.00 175.17 177.36 2q4s n TRP 109 N -1.49 2.71 -1.39 4.23 7.02 -1.26 -4.82 117.44 122.43 2q4s n TRP 109 Ca -0.01 0.34 -0.34 0.00 -1.02 0.00 0.00 57.50 56.46 2q4s n TRP 109 Cb 0.55 -2.55 0.10 0.00 -2.42 0.00 0.00 31.31 26.99 2q4s n TRP 109 CO 0.00 0.00 0.00 -2.14 -2.02 0.00 0.00 177.69 173.53 2q4s s PRO 110 N -0.84 2.06 0.00 -0.99 0.02 -1.26 -5.01 135.00 128.98 2q4s s PRO 110 Ca 0.62 1.82 0.00 0.00 0.02 0.00 0.00 61.00 63.46 2q4s s PRO 110 Cb -0.53 -1.82 0.00 0.00 0.02 0.00 0.00 34.50 32.18 2q4s s PRO 110 CO 0.52 -1.91 0.00 -0.25 -0.33 0.00 0.00 177.00 175.03 2q4s n ASP 111 N -2.74 0.00 0.00 2.53 8.00 -1.26 -5.01 116.55 118.06 2q4s n ASP 111 Ca 0.14 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.64 2q4s n ASP 111 Cb 0.50 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.60 2q4s n ASP 111 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2q4s n LYS 112 N 0.00 1.00 -1.66 -1.24 4.76 -1.26 -5.12 118.16 114.64 2q4s n LYS 112 Ca 0.00 0.00 -0.32 0.00 -2.87 0.00 0.00 58.31 55.12 2q4s n LYS 112 Cb 0.00 -0.17 0.05 0.00 -1.84 0.00 0.00 35.03 33.07 2q4s n LYS 112 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 2q4s s LYS 113 N -0.51 2.76 0.00 1.97 -0.14 -1.26 -4.88 119.74 117.68 2q4s s LYS 113 Ca 0.00 1.25 -0.06 0.00 -1.36 0.00 0.00 55.97 55.81 2q4s s LYS 113 Cb 0.00 -1.95 -0.25 0.00 -1.68 0.00 0.00 37.83 33.94 2q4s s LYS 113 CO 0.00 -1.26 3.48 0.45 -0.76 0.00 0.00 175.35 177.26 2q4s n SER 114 N -2.72 5.11 -4.90 2.83 2.88 -1.26 -4.82 113.62 110.74 2q4s n SER 114 Ca 0.09 -2.45 -0.28 0.00 -1.33 0.00 0.00 58.87 54.90 2q4s n SER 114 Cb 0.53 -1.37 -0.01 0.00 -0.75 0.00 0.00 64.21 62.60 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 2.03 6.34 0.00 -3.46 0.01 -1.11 -4.58 114.94 114.18 2q4s s ASN 115 Ca 0.62 0.95 0.00 0.00 -0.71 0.00 0.00 52.86 53.72 2q4s s ASN 115 Cb 0.30 -2.25 0.00 0.00 0.41 0.00 0.00 41.25 39.71 2q4s s ASN 115 CO 0.00 -0.49 0.00 1.21 -1.51 0.00 0.00 177.10 176.31 2q4s n GLU 116 N -1.90 2.83 -3.64 -0.60 2.13 -0.98 -2.93 120.64 115.55 2q4s n GLU 116 Ca 0.01 0.00 -0.09 0.00 0.66 0.00 0.00 57.16 57.73 2q4s n GLU 116 Cb 0.55 0.00 -0.07 0.00 0.27 0.00 0.00 31.44 32.19 2q4s n GLU 116 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 2q4s s ILE 118 N 0.00 0.00 0.47 6.31 -1.09 -1.26 -4.89 121.20 120.74 2q4s s ILE 118 Ca 0.00 0.00 -0.24 0.00 -2.23 0.00 0.00 60.65 58.18 2q4s s ILE 118 Cb 0.00 -1.00 -0.08 0.00 -1.58 0.00 0.00 42.46 39.80 2q4s s ILE 118 CO 0.00 0.00 1.26 2.29 -1.23 0.00 0.00 174.94 177.26 2q4s n LYS 119 N 3.15 1.76 0.00 2.79 2.85 -1.26 -4.62 118.16 122.83 2q4s n LYS 119 Ca -0.16 0.64 0.09 0.00 -1.05 0.00 0.00 58.31 57.83 2q4s n LYS 119 Cb 0.57 -2.41 -0.03 0.00 -0.65 0.00 0.00 35.03 32.50 2q4s n LYS 119 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 177.40 177.71 2q4s n LYS 120 N -0.35 1.34 0.00 -1.58 2.85 0.20 -4.99 118.16 115.64 2q4s n LYS 120 Ca 0.08 -0.65 0.00 0.00 -1.05 0.00 0.00 58.31 56.69 2q4s n LYS 120 Cb 0.42 -1.37 0.00 0.00 -0.65 0.00 0.00 35.03 33.43 2q4s n LYS 120 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 177.40 176.22 2q4s n SER 121 N -0.44 0.00 -4.04 -5.58 3.41 -1.21 -4.98 113.62 100.77 2q4s n SER 121 Ca 0.07 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 58.59 2q4s n SER 121 Cb 0.37 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.23 2q4s n SER 121 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 2q4s s GLU 122 N -2.00 0.86 -0.06 4.33 -1.05 -1.26 -0.24 118.70 119.27 2q4s s GLU 122 Ca 0.00 -1.23 -0.31 0.00 -0.15 0.00 0.00 54.97 53.27 2q4s s GLU 122 Cb 0.00 0.28 0.12 0.00 -0.44 0.00 0.00 34.13 34.08 2q4s s GLU 122 CO 0.00 -0.25 1.11 -0.98 0.95 0.00 0.00 175.26 176.09 2q4s s ARG 123 N -3.96 0.57 -0.30 -4.83 1.70 -1.08 -5.00 118.95 106.05 2q4s s ARG 123 Ca 0.14 -0.25 -0.09 0.00 -0.47 0.00 0.00 55.73 55.06 2q4s s ARG 123 Cb 0.06 0.23 -0.01 0.00 -0.57 0.00 0.00 34.95 34.67 2q4s s ARG 123 CO -0.04 -0.25 0.13 0.99 -1.08 0.00 0.00 175.30 175.05 2q4s s THR 124 N -2.71 4.48 -0.22 4.99 2.01 -1.26 -1.12 115.64 121.80 2q4s s THR 124 Ca 0.10 -0.45 -0.29 0.00 0.31 0.00 0.00 61.69 61.36 2q4s s THR 124 Cb 0.00 -3.27 0.01 0.00 0.01 0.00 0.00 72.50 69.24 2q4s s THR 124 CO -0.05 0.09 1.02 -0.76 -0.69 0.00 0.00 174.62 174.23 2q4s s LEU 125 N 1.59 4.11 0.33 4.42 1.43 0.03 -4.92 118.68 125.68 2q4s s LEU 125 Ca 0.04 1.36 -0.07 0.00 -1.03 0.00 0.00 54.13 54.44 2q4s s LEU 125 Cb -0.17 -3.51 -0.06 0.00 0.03 0.00 0.00 46.19 42.48 2q4s s LEU 125 CO 0.05 -0.63 0.63 -0.13 0.23 0.00 0.00 176.35 176.50 2q4s s ARG 126 N 3.05 3.68 -0.06 1.70 1.81 -1.26 -1.44 118.95 126.43 2q4s s ARG 126 Ca 0.44 0.16 -0.36 0.00 -1.72 0.00 0.00 55.73 54.25 2q4s s ARG 126 Cb -0.15 -2.56 -0.14 0.00 -0.45 0.00 0.00 34.95 31.65 2q4s s ARG 126 CO 0.07 0.13 1.73 -1.91 -0.68 0.00 0.00 175.30 174.64 2q4s n GLU 127 N -1.08 1.84 -0.34 3.54 2.13 -0.77 -0.83 120.64 125.13 2q4s n GLU 127 Ca -0.00 0.67 0.00 0.00 0.66 0.00 0.00 57.16 58.49 2q4s n GLU 127 Cb 0.54 -2.44 0.00 0.00 0.27 0.00 0.00 31.44 29.81 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 5.23 0.00 -4.87 4.31 3.02 -0.18 -4.97 115.26 117.80 2q4s n ASN 128 Ca 0.22 0.00 -0.31 0.00 -0.03 0.00 0.00 54.58 54.46 2q4s n ASN 128 Cb 0.25 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.39 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 -0.40 3.77 -0.15 3.52 0.74 -0.01 -4.72 119.66 122.42 2q4s s GLN 129 Ca 0.00 0.62 0.00 0.00 0.05 0.00 0.00 55.36 56.03 2q4s s GLN 129 Cb 0.00 -2.27 0.03 0.00 1.10 0.00 0.00 33.01 31.87 2q4s s GLN 129 CO 0.00 -0.21 -0.10 0.00 -0.55 0.00 0.00 175.29 174.43 2q4s s ALA 131 N 1.54 4.15 0.01 0.00 0.00 0.40 -4.92 121.76 122.95 2q4s s ALA 131 Ca 0.03 -1.64 -0.01 0.00 0.00 0.00 0.00 51.96 50.34 2q4s s ALA 131 Cb -0.14 -1.39 -0.01 0.00 0.00 0.00 0.00 23.12 21.58 2q4s s ALA 131 CO -0.09 -0.11 -0.00 -0.47 0.00 0.00 0.00 175.76 175.09 2q4s s TYR 132 N -2.31 0.17 0.04 0.00 6.14 -1.26 -0.73 117.35 119.41 2q4s s TYR 132 Ca 0.46 -0.35 -0.17 0.00 0.64 0.00 0.00 57.07 57.65 2q4s s TYR 132 Cb -0.07 -0.13 0.03 0.00 0.42 0.00 0.00 41.96 42.21 2q4s s TYR 132 CO 0.30 -0.16 0.40 -1.50 0.64 0.00 0.00 175.55 175.22 2q4s s ILE 133 N -1.10 0.06 0.21 3.14 2.07 0.09 -5.01 121.20 120.65 2q4s s ILE 133 Ca -0.12 -0.49 -0.13 0.00 -1.41 0.00 0.00 60.65 58.50 2q4s s ILE 133 Cb -0.07 -0.95 0.00 0.00 0.13 0.00 0.00 42.46 41.57 2q4s s ILE 133 CO -0.01 -0.27 0.42 0.54 -1.91 0.00 0.00 174.94 173.72 2q4s s ASN 134 N -2.00 -0.09 0.17 4.50 2.20 -1.26 -1.89 114.94 116.57 2q4s s ASN 134 Ca -0.05 -0.80 -0.14 0.00 -0.94 0.00 0.00 52.86 50.92 2q4s s ASN 134 Cb -0.01 0.53 0.10 0.00 -2.00 0.00 0.00 41.25 39.87 2q4s s ASN 134 CO -0.02 -1.04 1.80 0.44 -2.94 0.00 0.00 177.10 175.33 2q4s h ASP 135 N 2.33 0.41 -0.79 3.54 5.19 -1.80 -2.06 116.42 123.24 2q4s h ASP 135 Ca -0.29 0.01 0.19 0.00 -0.62 0.00 0.00 57.03 56.32 2q4s h ASP 135 Cb 1.25 -0.07 -0.12 0.00 0.18 0.00 0.00 39.33 40.56 2q4s h ASP 135 CO 0.40 0.29 0.18 0.28 -3.12 0.00 0.00 179.24 177.27 2q4s h SER 136 N 0.53 -0.03 0.53 6.45 0.02 -1.97 -2.62 113.55 116.46 2q4s h SER 136 Ca 0.20 0.17 -0.03 0.00 -0.84 0.00 0.00 61.79 61.29 2q4s h SER 136 Cb 0.06 0.23 0.01 0.00 0.14 0.00 0.00 62.40 62.84 2q4s h SER 136 CO -0.11 -0.09 -0.26 0.40 -1.14 0.00 0.00 176.83 175.63 2q4s h ILE 137 N 0.24 0.38 0.00 3.27 2.04 -1.80 -3.50 117.51 118.14 2q4s h ILE 137 Ca 0.46 -0.33 0.00 0.00 1.00 0.00 0.00 64.86 65.99 2q4s h ILE 137 Cb 0.84 0.50 0.00 0.00 -0.74 0.00 0.00 36.82 37.42 2q4s h ILE 137 CO -0.58 0.05 0.00 0.61 0.00 0.00 0.00 178.15 178.23 2q4s n GLY 138 N -0.75 -1.10 4.01 5.37 0.00 -0.99 -4.92 105.19 106.81 2q4s n GLY 138 Ca -0.11 -1.20 -0.19 0.00 0.00 0.00 0.00 46.02 44.52 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 3.25 0.16 0.99 1.43 -0.35 -4.47 118.68 119.68 2q4s s LEU 139 Ca 0.00 -0.75 -0.24 0.00 -1.03 0.00 0.00 54.13 52.12 2q4s s LEU 139 Cb 0.00 -1.92 0.06 0.00 0.03 0.00 0.00 46.19 44.36 2q4s s LEU 139 CO 0.00 -1.13 0.69 -1.38 0.23 0.00 0.00 176.35 174.77 2q4s s HIS 140 N -2.57 -0.41 0.08 0.29 -3.43 -1.19 -2.38 115.29 105.67 2q4s s HIS 140 Ca 0.57 0.16 0.07 0.00 -0.80 0.00 0.00 55.06 55.07 2q4s s HIS 140 Cb -0.07 0.59 -0.04 0.00 -1.43 0.00 0.00 32.58 31.64 2q4s s HIS 140 CO 0.36 -0.88 -0.15 1.03 -2.00 0.00 0.00 174.74 173.10 2q4s s ARG 141 N -3.65 2.04 -0.03 -0.38 0.52 0.46 -2.37 118.95 115.53 2q4s s ARG 141 Ca 0.04 -1.03 0.07 0.00 -0.52 0.00 0.00 55.73 54.30 2q4s s ARG 141 Cb -0.02 -2.22 -0.02 0.00 0.52 0.00 0.00 34.95 33.21 2q4s s ARG 141 CO -0.07 0.52 -0.25 0.08 0.02 0.00 0.00 175.30 175.59 2q4s s VAL 142 N -1.07 2.03 -0.19 3.52 1.01 -1.26 -1.29 120.40 123.15 2q4s s VAL 142 Ca 0.18 -1.08 -0.11 0.00 0.00 0.00 0.00 61.98 60.96 2q4s s VAL 142 Cb -0.11 -1.69 0.06 0.00 0.00 0.00 0.00 36.38 34.64 2q4s s VAL 142 CO 0.09 0.57 0.46 -1.61 0.00 0.00 0.00 175.10 174.61 2q4s s GLU 143 N -0.43 0.46 -0.61 2.72 2.02 0.28 0.11 118.70 123.25 2q4s s GLU 143 Ca 0.05 0.83 -0.22 0.00 0.02 0.00 0.00 54.97 55.64 2q4s s GLU 143 Cb -0.11 0.04 0.06 0.00 0.10 0.00 0.00 34.13 34.22 2q4s s GLU 143 CO 0.01 -0.14 0.91 1.21 0.02 0.00 0.00 175.26 177.26 2q4s s ASN 144 N 1.27 6.23 0.00 -0.19 2.47 0.28 0.19 114.94 125.19 2q4s s ASN 144 Ca -0.08 -0.82 0.12 0.00 0.42 0.00 0.00 52.86 52.49 2q4s s ASN 144 Cb -0.07 -2.40 0.62 0.00 -1.45 0.00 0.00 41.25 37.94 2q4s s ASN 144 CO -0.12 -1.30 1.23 1.33 -3.72 0.00 0.00 177.10 174.52 2q4s n VAL 145 N 5.95 0.50 -2.27 -5.21 0.24 -1.26 -2.87 118.33 113.41 2q4s n VAL 145 Ca -0.03 0.13 -0.37 0.00 -2.04 0.00 0.00 64.34 62.03 2q4s n VAL 145 Cb 0.46 -0.94 -0.01 0.00 -1.47 0.00 0.00 33.84 31.88 2q4s n VAL 145 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 2q4s s SER 146 N -2.40 6.17 0.02 -1.34 0.15 -1.26 -4.74 113.70 110.29 2q4s s SER 146 Ca 0.13 2.29 0.22 0.00 0.70 0.00 0.00 55.95 59.29 2q4s s SER 146 Cb 0.08 -2.60 -0.15 0.00 -1.71 0.00 0.00 66.02 61.64 2q4s s SER 146 CO 0.16 -0.92 0.83 1.41 1.20 0.00 0.00 173.24 175.92 2q4s n HIS 147 N -0.51 0.13 -1.99 3.44 8.25 -1.26 -0.46 115.22 122.81 2q4s n HIS 147 Ca 0.07 0.04 0.00 0.00 -0.26 0.00 0.00 57.72 57.57 2q4s n HIS 147 Cb 0.48 -0.34 0.00 0.00 1.12 0.00 0.00 29.99 31.25 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 -1.94 0.00 -4.12 1.59 -2.24 -1.26 -4.93 114.28 101.38 2q4s n THR 148 Ca 0.01 0.00 -0.18 0.00 -2.27 0.00 0.00 64.05 61.60 2q4s n THR 148 Cb 0.45 0.29 -0.16 0.00 -2.10 0.00 0.00 70.33 68.82 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 0.00 0.62 0.12 -0.78 0.41 -1.26 -5.00 118.70 112.81 2q4s s GLU 149 Ca 0.00 -0.09 -0.19 0.00 -0.41 0.00 0.00 54.97 54.28 2q4s s GLU 149 Cb 0.00 -0.66 -0.07 0.00 -1.78 0.00 0.00 34.13 31.62 2q4s s GLU 149 CO 0.00 -0.04 0.61 -1.25 -0.49 0.00 0.00 175.26 174.09 2q4s s PRO 150 N 0.68 4.22 0.20 0.39 0.04 -1.26 -3.91 135.00 135.36 2q4s s PRO 150 Ca -0.08 0.77 0.08 0.00 0.04 0.00 0.00 61.00 61.80 2q4s s PRO 150 Cb -0.12 -3.13 -0.04 0.00 0.04 0.00 0.00 34.50 31.25 2q4s s PRO 150 CO -0.00 0.57 -0.02 0.00 0.04 0.00 0.00 177.00 177.59 2q4s s ALA 151 N -1.24 3.14 -0.06 8.56 0.00 0.34 -4.65 121.76 127.86 2q4s s ALA 151 Ca 0.33 -1.45 0.01 0.00 0.00 0.00 0.00 51.96 50.85 2q4s s ALA 151 Cb -0.19 -0.89 0.02 0.00 0.00 0.00 0.00 23.12 22.06 2q4s s ALA 151 CO 0.20 0.43 -0.04 0.08 0.00 0.00 0.00 175.76 176.43 2q4s s VAL 152 N -1.86 0.58 -0.01 0.00 1.01 0.52 0.24 120.40 120.88 2q4s s VAL 152 Ca 0.28 -0.11 0.04 0.00 0.00 0.00 0.00 61.98 62.19 2q4s s VAL 152 Cb -0.09 -0.62 -0.01 0.00 0.00 0.00 0.00 36.38 35.66 2q4s s VAL 152 CO 0.18 0.25 -0.14 -0.94 0.00 0.00 0.00 175.10 174.45 2q4s s SER 153 N 1.16 1.68 -0.24 3.32 1.04 -1.01 0.63 113.70 120.27 2q4s s SER 153 Ca -0.07 -0.27 -0.10 0.00 0.48 0.00 0.00 55.95 55.98 2q4s s SER 153 Cb -0.14 -0.18 -0.05 0.00 0.10 0.00 0.00 66.02 65.75 2q4s s SER 153 CO -0.01 0.17 0.15 -0.22 0.98 0.00 0.00 173.24 174.30 2q4s s LEU 154 N -0.40 4.01 0.05 2.42 2.96 0.15 -0.67 118.68 127.20 2q4s s LEU 154 Ca 0.05 0.06 0.07 0.00 -0.22 0.00 0.00 54.13 54.09 2q4s s LEU 154 Cb -0.06 -2.08 -0.03 0.00 0.50 0.00 0.00 46.19 44.52 2q4s s LEU 154 CO -0.00 0.05 -0.15 -1.00 -1.32 0.00 0.00 176.35 173.92 2q4s s HIS 155 N 1.13 2.63 -0.09 5.38 3.76 -1.26 0.43 115.29 127.27 2q4s s HIS 155 Ca 0.07 -0.21 0.01 0.00 -0.15 0.00 0.00 55.06 54.78 2q4s s HIS 155 Cb -0.14 -1.47 0.02 0.00 1.11 0.00 0.00 32.58 32.10 2q4s s HIS 155 CO 0.05 0.30 -0.12 -1.17 -0.85 0.00 0.00 174.74 172.96 2q4s s LEU 156 N -1.59 1.54 -0.07 0.89 0.20 0.63 -4.42 118.68 115.87 2q4s s LEU 156 Ca 0.16 -0.34 0.01 0.00 0.69 0.00 0.00 54.13 54.66 2q4s s LEU 156 Cb -0.11 -0.90 0.02 0.00 -0.43 0.00 0.00 46.19 44.77 2q4s s LEU 156 CO 0.07 -0.01 -0.09 -0.31 -0.29 0.00 0.00 176.35 175.72 2q4s s TYR 157 N 1.04 1.22 -0.16 5.38 2.02 -1.16 -0.34 117.35 125.35 2q4s s TYR 157 Ca -0.07 -0.46 -0.07 0.00 -0.37 0.00 0.00 57.07 56.10 2q4s s TYR 157 Cb -0.15 -0.96 0.06 0.00 -0.40 0.00 0.00 41.96 40.52 2q4s s TYR 157 CO -0.01 -0.29 0.36 0.45 -1.57 0.00 0.00 175.55 174.49 2q4s s SER 158 N 0.92 -0.27 0.82 2.29 0.15 -1.00 -2.26 113.70 114.36 2q4s s SER 158 Ca -0.10 0.80 -0.10 0.00 0.70 0.00 0.00 55.95 57.24 2q4s s SER 158 Cb -0.15 0.83 0.09 0.00 -1.71 0.00 0.00 66.02 65.08 2q4s s SER 158 CO 0.01 -0.20 1.11 -2.84 1.20 0.00 0.00 173.24 172.51 2q4s s PRO 159 N 1.83 1.85 0.63 5.44 0.02 -1.26 0.49 135.00 143.99 2q4s s PRO 159 Ca -0.06 1.26 -0.19 0.00 0.02 0.00 0.00 61.00 62.03 2q4s s PRO 159 Cb -0.10 -1.84 -0.02 0.00 0.02 0.00 0.00 34.50 32.56 2q4s s PRO 159 CO -0.11 -1.96 1.28 -0.35 -0.33 0.00 0.00 177.00 175.53 2q4s n PRO 160 N -3.75 1.20 -3.72 5.54 -0.04 -1.24 -4.74 135.00 128.24 2q4s n PRO 160 Ca 0.10 0.46 -0.13 0.00 -0.04 0.00 0.00 63.50 63.89 2q4s n PRO 160 Cb 0.53 -2.52 -0.10 0.00 -0.04 0.00 0.00 33.50 31.37 2q4s n PRO 160 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 2q4s s PHE 161 N -1.38 -0.50 -0.08 0.54 -0.12 -1.26 -5.03 117.98 110.15 2q4s s PHE 161 Ca 0.81 1.19 0.08 0.00 -0.05 0.00 0.00 56.93 58.95 2q4s s PHE 161 Cb -0.39 0.18 -0.11 0.00 -0.63 0.00 0.00 43.02 42.06 2q4s s PHE 161 CO 0.42 -0.24 0.20 -0.40 -0.05 0.00 0.00 175.22 175.15 2q4s n ASP 162 N 2.98 2.62 -4.80 1.98 5.68 -1.26 -5.00 116.55 118.75 2q4s n ASP 162 Ca -0.14 -0.14 -0.30 0.00 -0.50 0.00 0.00 54.79 53.71 2q4s n ASP 162 Cb 0.57 1.28 -0.06 0.00 -1.14 0.00 0.00 41.12 41.77 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 -2.37 4.66 -0.04 2.12 -4.23 -1.26 -4.46 115.64 110.06 2q4s s THR 163 Ca -0.02 -0.77 -0.30 0.00 -1.18 0.00 0.00 61.69 59.42 2q4s s THR 163 Cb 0.05 -3.28 0.11 0.00 1.34 0.00 0.00 72.50 70.72 2q4s s THR 163 CO 0.32 0.08 0.97 0.00 -0.54 0.00 0.00 174.62 175.45 2q4s s HIS 165 N -2.96 3.49 0.08 0.00 3.76 -1.26 0.15 115.29 118.55 2q4s s HIS 165 Ca 0.06 0.39 0.09 0.00 -0.15 0.00 0.00 55.06 55.45 2q4s s HIS 165 Cb -0.01 -1.91 -0.04 0.00 1.11 0.00 0.00 32.58 31.73 2q4s s HIS 165 CO -0.08 0.21 -0.20 0.00 -0.85 0.00 0.00 174.74 173.82 2q4s s ALA 166 N -2.15 2.55 -0.07 -1.40 0.00 -0.12 -2.85 121.76 117.73 2q4s s ALA 166 Ca 0.40 -1.31 0.04 0.00 0.00 0.00 0.00 51.96 51.09 2q4s s ALA 166 Cb -0.10 -0.62 0.00 0.00 0.00 0.00 0.00 23.12 22.40 2q4s s ALA 166 CO 0.33 0.57 -0.19 -0.06 0.00 0.00 0.00 175.76 176.41 2q4s s PHE 167 N -1.01 2.02 -0.21 0.00 0.08 0.30 -1.28 117.98 117.87 2q4s s PHE 167 Ca 0.15 -0.70 -0.29 0.00 0.12 0.00 0.00 56.93 56.21 2q4s s PHE 167 Cb -0.10 -1.37 0.00 0.00 -0.57 0.00 0.00 43.02 40.98 2q4s s PHE 167 CO 0.07 -0.27 1.13 0.34 -0.10 0.00 0.00 175.22 176.39 2q4s s ASP 168 N 0.23 7.02 0.23 1.36 2.15 -0.57 -3.93 116.67 123.16 2q4s s ASP 168 Ca -0.11 1.47 0.15 0.00 0.43 0.00 0.00 52.55 54.50 2q4s s ASP 168 Cb -0.15 -2.54 0.84 0.00 -0.30 0.00 0.00 42.92 40.77 2q4s s ASP 168 CO 0.05 -0.73 1.46 1.67 -0.17 0.00 0.00 175.17 177.45 2q4s n GLN 169 N 6.49 0.10 -0.00 4.34 7.27 -1.26 -1.01 117.38 133.31 2q4s n GLN 169 Ca 0.13 0.60 0.11 0.00 0.07 0.00 0.00 57.00 57.90 2q4s n GLN 169 Cb 0.46 -1.84 -0.13 0.00 2.41 0.00 0.00 30.24 31.13 2q4s n GLN 169 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 2q4s n ARG 170 N -2.04 0.31 0.00 3.69 5.12 -1.26 -4.64 116.66 117.83 2q4s n ARG 170 Ca -0.01 -0.09 0.00 0.00 -1.93 0.00 0.00 57.85 55.82 2q4s n ARG 170 Cb 0.04 -1.52 0.00 0.00 -1.16 0.00 0.00 32.46 29.82 2q4s n ARG 170 CO 0.00 0.00 0.00 0.25 -1.93 0.00 0.00 177.63 175.95 2q4s n THR 171 N -1.87 0.00 -0.28 0.55 -2.24 -0.75 -2.33 114.28 107.37 2q4s n THR 171 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2q4s n THR 171 Cb 0.44 0.13 0.00 0.00 -2.10 0.00 0.00 70.33 68.80 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 0.79 1.41 3.69 3.38 0.00 -0.18 -2.74 105.19 111.53 2q4s n GLY 172 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 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 1.65 -4.40 1.61 -0.00 -1.26 -4.68 115.22 106.15 2q4s n HIS 173 Ca 0.00 0.44 -0.23 0.00 -0.00 0.00 0.00 57.72 57.93 2q4s n HIS 173 Cb 0.00 -2.26 -0.13 0.00 -0.00 0.00 0.00 29.99 27.60 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 -2.92 1.11 0.00 1.57 -2.85 -1.26 -1.51 119.74 113.88 2q4s s LYS 174 Ca 0.75 -0.96 0.01 0.00 -1.00 0.00 0.00 55.97 54.78 2q4s s LYS 174 Cb -0.42 -1.23 -0.01 0.00 -2.06 0.00 0.00 37.83 34.12 2q4s s LYS 174 CO 0.46 0.30 -0.05 0.54 0.10 0.00 0.00 175.35 176.70 2q4s s ASN 175 N -1.46 0.55 0.12 0.03 4.22 -0.41 -4.95 114.94 113.05 2q4s s ASN 175 Ca 0.04 -0.12 -0.29 0.00 -2.14 0.00 0.00 52.86 50.35 2q4s s ASN 175 Cb -0.09 -0.05 -0.06 0.00 1.28 0.00 0.00 41.25 42.33 2q4s s ASN 175 CO 0.02 0.03 0.92 -0.75 -2.04 0.00 0.00 177.10 175.29 2q4s s LYS 176 N -0.24 4.69 -0.04 3.55 2.20 -1.26 -0.94 119.74 127.70 2q4s s LYS 176 Ca 0.01 1.39 0.04 0.00 -0.36 0.00 0.00 55.97 57.05 2q4s s LYS 176 Cb -0.03 -3.35 -0.00 0.00 -1.51 0.00 0.00 37.83 32.94 2q4s s LYS 176 CO -0.00 0.29 -0.16 0.08 -0.36 0.00 0.00 175.35 175.20 2q4s s VAL 177 N -0.24 1.31 0.04 4.02 1.01 0.12 -4.95 120.40 121.71 2q4s s VAL 177 Ca 0.44 -0.65 0.04 0.00 0.00 0.00 0.00 61.98 61.81 2q4s s VAL 177 Cb -0.23 -1.13 -0.04 0.00 0.00 0.00 0.00 36.38 34.98 2q4s s VAL 177 CO 0.29 0.38 -0.05 -0.89 0.00 0.00 0.00 175.10 174.83 2q4s s THR 178 N 0.07 3.75 0.10 3.92 2.01 -1.26 -0.81 115.64 123.41 2q4s s THR 178 Ca -0.04 -0.88 -0.25 0.00 0.31 0.00 0.00 61.69 60.83 2q4s s THR 178 Cb -0.11 -2.69 0.07 0.00 0.01 0.00 0.00 72.50 69.78 2q4s s THR 178 CO 0.02 0.28 0.65 0.42 -0.69 0.00 0.00 174.62 175.30 2q4s s THR 180 N -1.11 0.00 -0.27 -0.82 -4.23 -1.26 -4.96 115.64 102.98 2q4s s THR 180 Ca 0.20 0.00 -0.14 0.00 -1.18 0.00 0.00 61.69 60.57 2q4s s THR 180 Cb -0.11 -1.00 -0.04 0.00 1.34 0.00 0.00 72.50 72.69 2q4s s THR 180 CO 0.11 0.00 0.31 -0.36 -0.54 0.00 0.00 174.62 174.15 2q4s s PHE 181 N -3.11 3.24 0.16 3.99 0.08 -1.26 -4.47 117.98 116.61 2q4s s PHE 181 Ca -0.01 0.32 -0.16 0.00 0.12 0.00 0.00 56.93 57.20 2q4s s PHE 181 Cb -0.01 -2.51 0.04 0.00 -0.57 0.00 0.00 43.02 39.97 2q4s s PHE 181 CO -0.08 -0.20 1.81 1.25 -0.10 0.00 0.00 175.22 177.90 2q4s h HIS 182 N 8.22 0.51 -4.16 0.36 -0.00 0.08 -3.42 115.15 116.74 2q4s h HIS 182 Ca -0.33 0.01 -0.18 0.00 -0.00 0.00 0.00 60.37 59.87 2q4s h HIS 182 Cb 1.17 -0.17 -0.15 0.00 -0.00 0.00 0.00 27.41 28.26 2q4s h HIS 182 CO 0.76 0.31 -0.67 0.45 -0.00 0.00 0.00 177.93 178.78 2q4s s SER 183 N -5.56 0.65 -0.11 3.26 0.15 -1.13 -0.06 113.70 110.90 2q4s s SER 183 Ca -0.13 -1.10 -0.03 0.00 0.70 0.00 0.00 55.95 55.39 2q4s s SER 183 Cb 0.11 0.20 0.05 0.00 -1.71 0.00 0.00 66.02 64.68 2q4s s SER 183 CO 0.73 -0.62 0.15 -0.54 1.20 0.00 0.00 173.24 174.16 2q4s s LYS 184 N -3.95 0.05 -1.20 5.44 1.02 -0.62 -1.06 119.74 119.41 2q4s s LYS 184 Ca 0.16 0.43 -0.07 0.00 0.02 0.00 0.00 55.97 56.51 2q4s s LYS 184 Cb 0.07 -0.59 0.01 0.00 -0.52 0.00 0.00 37.83 36.80 2q4s s LYS 184 CO -0.03 -0.40 0.91 1.19 -0.92 0.00 0.00 175.35 176.11 2q4s n PHE 185 N 5.32 -2.31 -1.95 3.18 3.72 -0.68 -3.01 117.46 121.73 2q4s n PHE 185 Ca -0.05 0.78 -0.06 0.00 -0.05 0.00 0.00 57.45 58.07 2q4s n PHE 185 Cb 0.50 -4.37 -0.01 0.00 -0.94 0.00 0.00 39.48 34.66 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 -1.72 0.25 2.82 1.37 0.00 -1.26 -5.04 105.19 101.61 2q4s n GLY 186 Ca -0.01 -0.65 -0.18 0.00 0.00 0.00 0.00 46.02 45.17 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 -2.30 0.26 0.34 -0.61 -1.09 -1.17 -5.01 121.20 111.62 2q4s s ILE 187 Ca 0.00 0.06 -0.29 0.00 -2.23 0.00 0.00 60.65 58.19 2q4s s ILE 187 Cb 0.00 -0.35 -0.11 0.00 -1.58 0.00 0.00 42.46 40.42 2q4s s ILE 187 CO 0.00 0.17 1.50 -0.60 -1.23 0.00 0.00 174.94 174.78 2q4s s ARG 188 N 1.15 4.15 -0.50 2.79 6.06 -1.26 -1.59 118.95 129.74 2q4s s ARG 188 Ca -0.08 2.52 0.06 0.00 -2.50 0.00 0.00 55.73 55.72 2q4s s ARG 188 Cb -0.13 -3.01 0.21 0.00 0.06 0.00 0.00 34.95 32.08 2q4s s ARG 188 CO -0.02 -0.52 0.49 0.25 -2.50 0.00 0.00 175.30 173.01 2q4s n THR 189 N 1.15 0.10 0.00 4.11 -2.24 0.91 -4.88 114.28 113.44 2q4s n THR 189 Ca 0.03 -4.19 0.00 0.00 -2.27 0.00 0.00 64.05 57.63 2q4s n THR 189 Cb 0.39 -1.92 0.00 0.00 -2.10 0.00 0.00 70.33 66.70 2q4s n THR 189 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85