#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 4.08 0.24 -4.62 1.43 -1.26 -5.08 118.68 113.47 2q4s s LEU 6 Ca 0.00 0.12 0.09 0.00 -1.03 0.00 0.00 54.13 53.31 2q4s s LEU 6 Cb 0.00 -2.08 -0.04 0.00 0.03 0.00 0.00 46.19 44.10 2q4s s LEU 6 CO 0.00 0.10 0.03 -0.76 0.23 0.00 0.00 176.35 175.95 2q4s s LEU 7 N 0.86 3.31 0.07 1.79 1.43 -1.26 -5.08 118.68 119.81 2q4s s LEU 7 Ca 0.07 -0.53 -0.31 0.00 -1.03 0.00 0.00 54.13 52.33 2q4s s LEU 7 Cb -0.13 -1.86 -0.08 0.00 0.03 0.00 0.00 46.19 44.15 2q4s s LEU 7 CO 0.03 0.01 1.50 -0.75 0.23 0.00 0.00 176.35 177.37 2q4s s LYS 8 N -3.55 4.26 0.21 1.70 2.20 -1.26 -4.94 119.74 118.35 2q4s s LYS 8 Ca 0.31 2.17 -0.31 0.00 -0.36 0.00 0.00 55.97 57.77 2q4s s LYS 8 Cb -0.07 -3.44 -0.10 0.00 -1.51 0.00 0.00 37.83 32.70 2q4s s LYS 8 CO 0.20 -0.60 1.54 -2.14 -0.36 0.00 0.00 175.35 174.00 2q4s s PRO 9 N 1.97 4.21 0.33 4.03 0.02 -1.26 -4.89 135.00 139.42 2q4s s PRO 9 Ca 0.68 2.38 0.22 0.00 0.02 0.00 0.00 61.00 64.30 2q4s s PRO 9 Cb -0.37 -3.12 0.18 0.00 0.02 0.00 0.00 34.50 31.21 2q4s s PRO 9 CO 0.30 -0.56 1.37 0.00 -0.33 0.00 0.00 177.00 177.78 2q4s h ARG 10 N 5.99 0.00 -3.01 5.54 3.08 -1.92 -3.43 114.38 120.63 2q4s h ARG 10 Ca -0.44 0.00 0.05 0.00 0.07 0.00 0.00 59.98 59.66 2q4s h ARG 10 Cb 1.21 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 31.22 2q4s h ARG 10 CO 0.86 0.08 0.23 0.95 -1.07 0.00 0.00 179.97 181.01 2q4s s THR 11 N -3.21 0.00 0.17 2.04 -4.23 -1.26 -4.98 115.64 104.17 2q4s s THR 11 Ca 0.04 -1.01 -0.15 0.00 -1.18 0.00 0.00 61.69 59.39 2q4s s THR 11 Cb 0.07 -2.14 0.05 0.00 1.34 0.00 0.00 72.50 71.81 2q4s s THR 11 CO 0.72 0.00 1.83 0.25 -0.54 0.00 0.00 174.62 176.88 2q4s h LEU 12 N 2.00 0.57 -1.61 4.79 5.85 -1.93 0.54 115.31 125.52 2q4s h LEU 12 Ca -0.21 -0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.46 2q4s h LEU 12 Cb 1.25 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 42.13 2q4s h LEU 12 CO 0.26 0.41 -0.05 0.00 -0.34 0.00 0.00 178.44 178.72 2q4s h ALA 13 N 1.18 1.68 -0.04 1.25 0.00 -1.96 -0.13 119.26 121.24 2q4s h ALA 13 Ca 0.18 -0.13 -0.12 0.00 0.00 0.00 0.00 54.91 54.84 2q4s h ALA 13 Cb -0.07 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 17.66 2q4s h ALA 13 CO -0.04 0.24 -0.45 0.22 0.00 0.00 0.00 179.25 179.22 2q4s h ASP 14 N 0.18 0.47 -0.54 0.00 3.58 -1.56 -1.00 116.42 117.54 2q4s h ASP 14 Ca 0.04 -0.71 0.07 0.00 0.42 0.00 0.00 57.03 56.86 2q4s h ASP 14 Cb 0.22 -0.14 -0.03 0.00 1.72 0.00 0.00 39.33 41.09 2q4s h ASP 14 CO 0.01 1.11 0.36 0.25 -2.88 0.00 0.00 179.24 178.09 2q4s h LEU 15 N -0.13 0.38 -0.16 2.28 5.85 0.48 -1.58 115.31 122.42 2q4s h LEU 15 Ca -0.05 0.00 -0.23 0.00 0.84 0.00 0.00 57.88 58.45 2q4s h LEU 15 Cb 1.14 -0.08 0.01 0.00 0.37 0.00 0.00 40.66 42.10 2q4s h LEU 15 CO 0.09 0.24 -0.84 0.40 -0.34 0.00 0.00 178.44 177.99 2q4s h ILE 16 N 0.43 1.30 -0.86 4.05 2.04 -0.85 -2.07 117.51 121.55 2q4s h ILE 16 Ca 0.24 -2.09 0.05 0.00 1.00 0.00 0.00 64.86 64.07 2q4s h ILE 16 Cb 0.40 2.11 -0.06 0.00 -0.74 0.00 0.00 36.82 38.53 2q4s h ILE 16 CO -0.06 0.65 0.54 -0.09 0.00 0.00 0.00 178.15 179.19 2q4s h ARG 17 N 0.45 0.98 -0.60 2.37 2.43 -0.32 -1.56 114.38 118.14 2q4s h ARG 17 Ca -0.07 -0.06 -0.09 0.00 -0.81 0.00 0.00 59.98 58.95 2q4s h ARG 17 Cb 1.47 -0.22 -0.02 0.00 -0.42 0.00 0.00 29.97 30.77 2q4s h ARG 17 CO 0.17 0.65 0.02 0.82 -1.51 0.00 0.00 179.97 180.11 2q4s h ILE 18 N 1.01 1.26 -0.95 1.20 2.04 -1.20 -2.82 117.51 118.06 2q4s h ILE 18 Ca 0.37 -1.12 0.02 0.00 1.00 0.00 0.00 64.86 65.12 2q4s h ILE 18 Cb 0.12 0.80 -0.05 0.00 -0.74 0.00 0.00 36.82 36.95 2q4s h ILE 18 CO -0.16 0.41 0.63 -0.07 0.00 0.00 0.00 178.15 178.96 2q4s h LEU 19 N 0.94 1.07 -1.82 1.44 3.38 -0.59 -0.19 115.31 119.55 2q4s h LEU 19 Ca 0.17 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.09 2q4s h LEU 19 Cb 0.54 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 41.02 2q4s h LEU 19 CO 0.03 0.76 -0.12 0.45 0.09 0.00 0.00 178.44 179.65 2q4s h HIS 20 N 1.26 0.00 -0.05 1.13 3.86 -1.09 -1.32 115.15 118.94 2q4s h HIS 20 Ca 0.36 0.00 -0.16 0.00 -1.16 0.00 0.00 60.37 59.41 2q4s h HIS 20 Cb -0.10 0.00 0.01 0.00 1.06 0.00 0.00 27.41 28.38 2q4s h HIS 20 CO -0.00 0.12 -0.58 0.93 0.86 0.00 0.00 177.93 179.27 2q4s h GLU 21 N 0.00 0.48 0.00 2.45 5.08 -0.98 -2.96 114.58 118.65 2q4s h GLU 21 Ca -0.00 -0.45 -0.03 0.00 -1.00 0.00 0.00 59.36 57.88 2q4s h GLU 21 Cb 0.23 0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.59 2q4s h GLU 21 CO 0.02 1.09 -0.13 -0.07 -1.00 0.00 0.00 179.01 178.91 2q4s h LEU 22 N 0.04 0.00 -3.43 1.33 3.38 -0.69 -2.46 115.31 113.48 2q4s h LEU 22 Ca -0.06 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.80 2q4s h LEU 22 Cb 1.25 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.93 2q4s h LEU 22 CO 0.12 0.13 0.07 0.49 0.09 0.00 0.00 178.44 179.34 2q4s n PHE 23 N -3.72 1.45 0.21 1.13 3.72 -0.54 -4.60 117.46 115.11 2q4s n PHE 23 Ca -0.02 -1.18 0.08 0.00 -0.05 0.00 0.00 57.45 56.29 2q4s n PHE 23 Cb 0.24 -0.48 0.44 0.00 -0.94 0.00 0.00 39.48 38.75 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 1.82 1.07 -3.52 4.37 0.00 -1.26 -3.45 119.26 118.29 2q4s h ALA 24 Ca 0.14 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2q4s h ALA 24 Cb 1.78 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.52 2q4s h ALA 24 CO 0.43 0.35 0.00 0.41 0.00 0.00 0.00 179.25 180.44 2q4s n GLY 25 N 0.02 1.41 0.00 0.00 0.00 -1.26 -5.04 105.19 100.32 2q4s n GLY 25 Ca -0.00 -2.02 0.11 0.00 0.00 0.00 0.00 46.02 44.10 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 -1.88 0.81 -4.73 1.61 8.00 -1.26 -4.95 116.55 114.14 2q4s n ASP 26 Ca 0.00 -0.71 -0.29 0.00 0.71 0.00 0.00 54.79 54.49 2q4s n ASP 26 Cb 0.00 0.76 -0.04 0.00 -0.02 0.00 0.00 41.12 41.83 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 -1.53 0.73 -3.97 -1.24 -0.58 -1.26 -5.14 120.64 107.65 2q4s n GLU 27 Ca 0.04 -3.56 -0.20 0.00 -0.42 0.00 0.00 57.16 53.03 2q4s n GLU 27 Cb 0.34 0.70 -0.17 0.00 -0.57 0.00 0.00 31.44 31.74 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 -2.77 0.35 -0.73 2.62 1.01 -1.26 -4.87 120.40 114.74 2q4s s VAL 28 Ca 0.14 0.03 -0.20 0.00 0.00 0.00 0.00 61.98 61.95 2q4s s VAL 28 Cb -0.01 -0.44 0.11 0.00 0.00 0.00 0.00 36.38 36.04 2q4s s VAL 28 CO 0.09 0.20 0.93 0.21 0.00 0.00 0.00 175.10 176.53 2q4s s ASN 29 N 1.25 6.35 0.20 3.32 3.84 -1.26 -4.89 114.94 123.75 2q4s s ASN 29 Ca -0.06 -1.56 -0.10 0.00 0.21 0.00 0.00 52.86 51.35 2q4s s ASN 29 Cb -0.13 -2.36 0.17 0.00 -0.55 0.00 0.00 41.25 38.38 2q4s s ASN 29 CO -0.02 -1.17 1.85 0.58 -2.79 0.00 0.00 177.10 175.55 2q4s h VAL 30 N 5.84 1.10 -0.84 -5.21 2.07 -1.99 -0.34 116.25 116.89 2q4s h VAL 30 Ca -0.13 -0.29 -0.03 0.00 0.82 0.00 0.00 66.70 67.07 2q4s h VAL 30 Cb 1.06 0.17 -0.04 0.00 -1.52 0.00 0.00 31.29 30.96 2q4s h VAL 30 CO 1.11 0.16 0.42 -0.33 0.02 0.00 0.00 177.57 178.94 2q4s h GLU 31 N 0.86 1.20 -0.19 1.57 4.39 -1.99 -0.01 114.58 120.41 2q4s h GLU 31 Ca 0.27 -0.17 -0.18 0.00 0.34 0.00 0.00 59.36 59.62 2q4s h GLU 31 Cb -0.00 -0.22 0.01 0.00 -0.10 0.00 0.00 28.75 28.43 2q4s h GLU 31 CO -0.10 0.91 -0.60 0.93 -1.16 0.00 0.00 179.01 178.99 2q4s h GLU 32 N 1.19 0.74 -0.66 2.33 5.08 -1.85 -1.33 114.58 120.09 2q4s h GLU 32 Ca 0.29 -0.54 -0.03 0.00 -1.00 0.00 0.00 59.36 58.08 2q4s h GLU 32 Cb 0.09 0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.41 2q4s h GLU 32 CO -0.04 1.16 0.29 0.28 -1.00 0.00 0.00 179.01 179.71 2q4s h VAL 33 N 0.46 1.23 -0.72 3.13 2.07 -0.81 -0.27 116.25 121.34 2q4s h VAL 33 Ca -0.02 -0.69 -0.06 0.00 0.82 0.00 0.00 66.70 66.75 2q4s h VAL 33 Cb 1.22 0.46 -0.03 0.00 -1.52 0.00 0.00 31.29 31.42 2q4s h VAL 33 CO 0.13 0.28 0.20 -0.61 0.02 0.00 0.00 177.57 177.59 2q4s h GLN 34 N 0.92 1.14 -0.73 1.57 4.15 -1.01 -2.22 115.11 118.92 2q4s h GLN 34 Ca 0.22 -0.26 -0.03 0.00 0.77 0.00 0.00 58.65 59.36 2q4s h GLN 34 Cb 0.16 -0.16 -0.03 0.00 0.21 0.00 0.00 27.48 27.66 2q4s h GLN 34 CO -0.02 0.99 0.35 0.00 -1.93 0.00 0.00 178.83 178.21 2q4s h ALA 35 N 1.12 0.95 -0.18 3.38 0.00 -0.47 -1.03 119.26 123.02 2q4s h ALA 35 Ca 0.23 -0.15 -0.16 0.00 0.00 0.00 0.00 54.91 54.83 2q4s h ALA 35 Cb 0.34 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 2q4s h ALA 35 CO -0.00 0.52 -0.55 -0.24 0.00 0.00 0.00 179.25 178.98 2q4s h VAL 36 N 1.03 1.32 -0.44 0.00 3.04 -0.92 -2.23 116.25 118.05 2q4s h VAL 36 Ca 0.25 -1.80 -0.04 0.00 -1.01 0.00 0.00 66.70 64.10 2q4s h VAL 36 Cb 0.13 1.77 -0.02 0.00 -2.01 0.00 0.00 31.29 31.16 2q4s h VAL 36 CO -0.03 0.56 0.12 -0.07 -1.01 0.00 0.00 177.57 177.13 2q4s h LEU 37 N 0.42 0.66 -1.27 3.16 3.38 -1.19 -2.68 115.31 117.78 2q4s h LEU 37 Ca 0.01 -0.22 -0.04 0.00 0.09 0.00 0.00 57.88 57.72 2q4s h LEU 37 Cb 1.09 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.65 2q4s h LEU 37 CO 0.10 0.71 0.10 -0.08 0.09 0.00 0.00 178.44 179.36 2q4s h GLU 38 N 0.58 0.60 0.00 1.13 4.81 -1.11 -2.99 114.58 117.60 2q4s h GLU 38 Ca 0.14 -0.10 -0.06 0.00 -0.13 0.00 0.00 59.36 59.21 2q4s h GLU 38 Cb 0.30 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.58 2q4s h GLU 38 CO -0.00 0.55 -0.27 0.00 -0.73 0.00 0.00 179.01 178.56 2q4s h ALA 39 N 1.53 1.21 -2.25 2.92 0.00 -1.06 -3.42 119.26 118.17 2q4s h ALA 39 Ca 0.14 -0.24 -0.55 0.00 0.00 0.00 0.00 54.91 54.25 2q4s h ALA 39 Cb 0.22 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 2q4s h ALA 39 CO -0.00 0.33 0.98 -0.47 0.00 0.00 0.00 179.25 180.09 2q4s s TYR 40 N -3.98 2.42 -0.48 0.00 5.04 -1.13 -4.69 117.35 114.53 2q4s s TYR 40 Ca -0.02 0.56 -0.23 0.00 -2.44 0.00 0.00 57.07 54.95 2q4s s TYR 40 Cb 0.13 -3.74 0.03 0.00 0.35 0.00 0.00 41.96 38.72 2q4s s TYR 40 CO 0.66 -2.93 0.80 -1.21 -1.34 0.00 0.00 175.55 171.52 2q4s s GLU 41 N 3.52 3.35 -0.01 4.97 0.41 -1.26 -4.93 118.70 124.74 2q4s s GLU 41 Ca 0.66 -0.24 -0.32 0.00 -0.41 0.00 0.00 54.97 54.66 2q4s s GLU 41 Cb -0.30 -3.98 -0.16 0.00 -1.78 0.00 0.00 34.13 27.91 2q4s s GLU 41 CO 0.24 -1.21 0.87 0.45 -0.49 0.00 0.00 175.26 175.13 2q4s n SER 42 N 6.81 0.01 -3.95 -0.19 2.88 -1.26 -4.95 113.62 112.98 2q4s n SER 42 Ca 0.01 0.93 -0.31 0.00 -1.33 0.00 0.00 58.87 58.18 2q4s n SER 42 Cb 0.48 -0.74 -0.15 0.00 -0.75 0.00 0.00 64.21 63.04 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 0.06 4.11 0.30 -3.46 3.84 -1.26 -5.03 114.94 113.49 2q4s s ASN 43 Ca 0.74 -1.43 0.05 0.00 0.21 0.00 0.00 52.86 52.42 2q4s s ASN 43 Cb -1.03 -1.27 0.76 0.00 -0.55 0.00 0.00 41.25 39.16 2q4s s ASN 43 CO 0.46 -0.27 1.69 -0.65 -2.79 0.00 0.00 177.10 175.54 2q4s h PRO 44 N 7.88 0.39 -0.35 0.43 0.11 -1.92 -1.31 132.00 137.24 2q4s h PRO 44 Ca -0.15 -0.02 0.04 0.00 0.11 0.00 0.00 66.00 65.98 2q4s h PRO 44 Cb 1.05 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 32.06 2q4s h PRO 44 CO 0.44 0.26 0.23 0.00 -0.21 0.00 0.00 178.00 178.73 2q4s h ALA 45 N 1.72 1.95 0.00 -0.75 0.00 -2.00 -1.28 119.26 118.90 2q4s h ALA 45 Ca 0.57 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.39 2q4s h ALA 45 Cb 1.10 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 2q4s h ALA 45 CO -0.53 -0.01 -0.38 0.93 0.00 0.00 0.00 179.25 179.26 2q4s h GLU 46 N 0.30 0.00 -0.09 0.00 5.08 -1.68 -3.28 114.58 114.91 2q4s h GLU 46 Ca 0.15 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 2q4s h GLU 46 Cb 0.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.46 2q4s h GLU 46 CO -0.03 0.38 0.00 -2.67 -1.00 0.00 0.00 179.01 175.69 2q4s n TRP 47 N -3.47 0.16 -0.11 4.33 4.27 -0.85 -4.71 117.44 117.06 2q4s n TRP 47 Ca 0.00 -0.59 -0.05 0.00 -3.89 0.00 0.00 57.50 52.97 2q4s n TRP 47 Cb 0.53 -0.07 0.01 0.00 -1.36 0.00 0.00 31.31 30.42 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 0.57 0.26 -1.07 -1.67 0.00 -1.32 -1.20 119.26 114.83 2q4s h ALA 48 Ca 0.00 0.14 0.32 0.00 0.00 0.00 0.00 54.91 55.38 2q4s h ALA 48 Cb 0.67 0.28 -0.13 0.00 0.00 0.00 0.00 17.79 18.61 2q4s h ALA 48 CO 0.01 -0.45 0.65 1.25 0.00 0.00 0.00 179.25 180.71 2q4s h LEU 49 N 0.01 0.47 -1.77 0.00 5.85 -1.84 0.20 115.31 118.22 2q4s h LEU 49 Ca 0.18 0.15 0.00 0.00 0.84 0.00 0.00 57.88 59.05 2q4s h LEU 49 Cb 0.27 0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.40 2q4s h LEU 49 CO -0.38 -0.06 0.00 -1.22 -0.34 0.00 0.00 178.44 176.43 2q4s n TYR 50 N -4.87 0.49 -1.94 1.25 4.01 -0.47 -4.63 117.16 111.00 2q4s n TYR 50 Ca 0.31 -0.24 -0.37 0.00 -0.16 0.00 0.00 57.90 57.44 2q4s n TYR 50 Cb 1.02 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 40.03 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 0.94 6.63 -2.64 -0.72 0.00 0.69 -4.85 120.51 120.56 2q4s n ALA 51 Ca 0.18 -3.88 -0.40 0.00 0.00 0.00 0.00 53.44 49.33 2q4s n ALA 51 Cb 0.45 -2.52 -0.11 0.00 0.00 0.00 0.00 19.45 17.28 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 -1.78 3.33 0.22 0.00 1.02 -1.26 -5.06 119.74 116.21 2q4s s LYS 52 Ca 0.54 -0.75 0.05 0.00 0.02 0.00 0.00 55.97 55.83 2q4s s LYS 52 Cb 0.25 -3.76 -0.03 0.00 -0.52 0.00 0.00 37.83 33.76 2q4s s LYS 52 CO -0.14 -0.50 0.29 -0.06 -0.92 0.00 0.00 175.35 174.02 2q4s s PHE 53 N 1.67 3.37 -0.05 3.18 0.08 -1.26 -4.77 117.98 120.21 2q4s s PHE 53 Ca 0.05 -0.01 0.06 0.00 0.12 0.00 0.00 56.93 57.16 2q4s s PHE 53 Cb -0.18 -1.55 -0.01 0.00 -0.57 0.00 0.00 43.02 40.71 2q4s s PHE 53 CO 0.09 0.48 -0.25 0.34 -0.10 0.00 0.00 175.22 175.78 2q4s s ASP 54 N -3.72 3.13 0.44 1.36 2.15 -1.26 -5.03 116.67 113.73 2q4s s ASP 54 Ca 0.34 -0.48 0.19 0.00 0.43 0.00 0.00 52.55 53.02 2q4s s ASP 54 Cb -0.09 -0.72 1.04 0.00 -0.30 0.00 0.00 42.92 42.84 2q4s s ASP 54 CO 0.28 0.27 1.94 -0.61 -0.17 0.00 0.00 175.17 176.87 2q4s h GLN 55 N 5.89 0.00 0.00 4.34 4.15 -1.99 -3.31 115.11 124.18 2q4s h GLN 55 Ca -0.35 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.07 2q4s h GLN 55 Cb 1.16 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.85 2q4s h GLN 55 CO 0.47 0.24 -1.86 0.66 -1.93 0.00 0.00 178.83 176.42 2q4s n TYR 56 N -3.91 0.08 -3.56 3.99 4.01 -1.26 -4.95 117.16 111.56 2q4s n TYR 56 Ca -0.02 0.02 -0.11 0.00 -0.16 0.00 0.00 57.90 57.64 2q4s n TYR 56 Cb 0.32 -0.51 -0.03 0.00 -0.31 0.00 0.00 39.34 38.82 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 -3.48 1.33 0.58 -0.72 1.70 -1.25 -5.04 118.95 112.09 2q4s s ARG 57 Ca -0.06 -0.64 -0.18 0.00 -0.47 0.00 0.00 55.73 54.37 2q4s s ARG 57 Cb 0.14 0.56 -0.04 0.00 -0.57 0.00 0.00 34.95 35.04 2q4s s ARG 57 CO 0.90 -0.58 1.13 1.52 -1.08 0.00 0.00 175.30 177.19 2q4s s TYR 58 N -3.80 2.62 0.14 5.89 -0.85 -1.26 -4.14 117.35 115.94 2q4s s TYR 58 Ca 0.04 1.54 0.08 0.00 -0.52 0.00 0.00 57.07 58.21 2q4s s TYR 58 Cb -0.01 -3.28 -0.04 0.00 0.38 0.00 0.00 41.96 39.01 2q4s s TYR 58 CO -0.09 -1.69 -0.08 0.95 -1.52 0.00 0.00 175.55 173.13 2q4s s THR 59 N -1.92 3.38 -0.24 -3.49 -4.23 -0.59 -4.93 115.64 103.62 2q4s s THR 59 Ca 0.72 -1.41 -0.03 0.00 -1.18 0.00 0.00 61.69 59.78 2q4s s THR 59 Cb -0.24 -2.63 0.01 0.00 1.34 0.00 0.00 72.50 70.98 2q4s s THR 59 CO 0.32 0.01 -0.03 -0.13 -0.54 0.00 0.00 174.62 174.25 2q4s s ARG 60 N -2.52 3.13 -0.32 3.99 0.52 -1.26 -1.69 118.95 120.79 2q4s s ARG 60 Ca 0.23 -0.79 0.03 0.00 -0.52 0.00 0.00 55.73 54.68 2q4s s ARG 60 Cb -0.10 -3.05 0.09 0.00 0.52 0.00 0.00 34.95 32.41 2q4s s ARG 60 CO 0.15 -0.31 0.02 -0.80 0.02 0.00 0.00 175.30 174.38 2q4s s ASN 61 N 1.42 4.72 0.24 0.23 -0.87 0.90 -0.41 114.94 121.18 2q4s s ASN 61 Ca 0.03 -1.93 -0.30 0.00 -1.57 0.00 0.00 52.86 49.09 2q4s s ASN 61 Cb -0.15 -1.62 -0.10 0.00 -0.02 0.00 0.00 41.25 39.35 2q4s s ASN 61 CO -0.03 -0.34 1.38 -0.22 -2.57 0.00 0.00 177.10 175.32 2q4s s LEU 62 N 0.98 4.40 -0.06 0.60 2.96 -0.57 -0.14 118.68 126.84 2q4s s LEU 62 Ca 0.05 2.57 -0.01 0.00 -0.22 0.00 0.00 54.13 56.53 2q4s s LEU 62 Cb -0.20 -3.62 -0.03 0.00 0.50 0.00 0.00 46.19 42.84 2q4s s LEU 62 CO -0.07 -0.62 -0.06 0.52 -1.32 0.00 0.00 176.35 174.80 2q4s n VAL 63 N 2.32 0.33 -3.82 1.68 0.31 0.81 -1.37 118.33 118.59 2q4s n VAL 63 Ca 0.06 -0.11 -0.12 0.00 -0.01 0.00 0.00 64.34 64.15 2q4s n VAL 63 Cb 0.41 -0.98 -0.11 0.00 -0.91 0.00 0.00 33.84 32.25 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 -4.87 -0.13 -0.13 4.52 2.15 -0.70 -4.68 116.67 112.84 2q4s s ASP 64 Ca -0.08 0.18 0.17 0.00 0.43 0.00 0.00 52.55 53.25 2q4s s ASP 64 Cb 0.02 0.33 0.69 0.00 -0.30 0.00 0.00 42.92 43.67 2q4s s ASP 64 CO 0.13 -0.19 1.60 0.00 -0.17 0.00 0.00 175.17 176.54 2q4s n GLN 65 N 2.38 3.74 -4.20 4.34 6.02 -1.26 -0.58 117.38 127.82 2q4s n GLN 65 Ca -0.16 -2.86 -0.36 0.00 -0.01 0.00 0.00 57.00 53.60 2q4s n GLN 65 Cb 0.57 -1.89 -0.05 0.00 1.02 0.00 0.00 30.24 29.89 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 0.87 -0.43 4.04 1.08 0.00 -1.06 -0.09 105.19 109.60 2q4s n GLY 66 Ca 0.25 0.08 -0.33 0.00 0.00 0.00 0.00 46.02 46.02 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 -2.41 -4.18 0.00 1.61 4.13 -1.26 -0.57 115.26 112.58 2q4s n ASN 67 Ca 0.09 -0.87 0.00 0.00 1.68 0.00 0.00 54.58 55.48 2q4s n ASN 67 Cb 0.47 -3.43 0.00 0.00 -1.54 0.00 0.00 39.78 35.28 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 -1.58 2.18 0.10 7.41 0.00 0.86 -4.87 105.19 109.29 2q4s n GLY 68 Ca 0.05 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.06 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 2.26 0.00 -3.27 1.61 1.79 -0.94 -3.43 116.57 114.60 2q4s h LYS 69 Ca 0.00 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.44 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 0.45 0.04 -0.59 -1.08 0.00 0.00 179.45 178.27 2q4s s PHE 70 N -2.86 -0.24 -0.19 -1.35 -0.12 -1.25 -4.21 117.98 107.76 2q4s s PHE 70 Ca -0.01 -0.06 -0.04 0.00 -0.05 0.00 0.00 56.93 56.76 2q4s s PHE 70 Cb 0.08 0.38 -0.02 0.00 -0.63 0.00 0.00 43.02 42.84 2q4s s PHE 70 CO 0.80 -0.83 -0.02 -0.80 -0.05 0.00 0.00 175.22 174.32 2q4s s ASN 71 N -2.82 4.76 0.01 1.98 0.01 0.13 -2.57 114.94 116.44 2q4s s ASN 71 Ca 0.05 -0.20 0.07 0.00 -0.71 0.00 0.00 52.86 52.07 2q4s s ASN 71 Cb -0.00 -1.80 -0.03 0.00 0.41 0.00 0.00 41.25 39.83 2q4s s ASN 71 CO -0.08 0.09 -0.20 -0.22 -1.51 0.00 0.00 177.10 175.18 2q4s s LEU 72 N 0.83 2.48 -0.08 0.60 2.96 0.25 -0.77 118.68 124.96 2q4s s LEU 72 Ca -0.00 -0.41 -0.03 0.00 -0.22 0.00 0.00 54.13 53.47 2q4s s LEU 72 Cb -0.14 -1.47 0.04 0.00 0.50 0.00 0.00 46.19 45.12 2q4s s LEU 72 CO 0.02 0.28 0.17 -0.63 -1.32 0.00 0.00 176.35 174.87 2q4s s ILE 74 N -0.82 -0.06 -0.13 6.68 1.01 0.80 -0.13 121.20 128.55 2q4s s ILE 74 Ca 0.13 0.18 -0.04 0.00 0.00 0.00 0.00 60.65 60.93 2q4s s ILE 74 Cb -0.10 -0.27 -0.03 0.00 0.01 0.00 0.00 42.46 42.06 2q4s s ILE 74 CO 0.03 0.08 -0.00 -0.76 0.00 0.00 0.00 174.94 174.28 2q4s s LEU 75 N 1.26 3.50 -0.22 2.97 1.02 0.18 -0.07 118.68 127.33 2q4s s LEU 75 Ca -0.09 0.03 -0.02 0.00 0.02 0.00 0.00 54.13 54.08 2q4s s LEU 75 Cb -0.11 -1.83 0.01 0.00 0.02 0.00 0.00 46.19 44.27 2q4s s LEU 75 CO -0.07 0.26 -0.09 0.00 0.02 0.00 0.00 176.35 176.48 2q4s s TRP 77 N 1.40 3.29 1.18 0.00 0.52 -0.52 -1.54 118.94 123.27 2q4s s TRP 77 Ca 0.04 -1.76 -0.15 0.00 0.02 0.00 0.00 56.10 54.25 2q4s s TRP 77 Cb -0.14 -2.27 0.28 0.00 -1.15 0.00 0.00 33.47 30.18 2q4s s TRP 77 CO -0.06 -0.79 1.04 0.20 0.02 0.00 0.00 176.95 177.35 2q4s s GLY 78 N 1.37 1.53 0.25 0.98 0.00 -1.26 -1.80 107.32 108.38 2q4s s GLY 78 Ca -0.03 -0.46 -0.31 0.00 0.00 0.00 0.00 44.72 43.92 2q4s s GLY 78 CO 0.00 0.31 1.53 1.18 0.00 0.00 0.00 173.10 176.12 2q4s n GLU 79 N -4.85 2.40 -0.02 2.90 4.71 -1.26 -1.42 120.64 123.09 2q4s n GLU 79 Ca 0.06 0.86 0.00 0.00 -0.01 0.00 0.00 57.16 58.07 2q4s n GLU 79 Cb 0.57 -2.59 0.00 0.00 -1.01 0.00 0.00 31.44 28.41 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 2.40 2.91 3.78 0.62 0.00 -0.26 -4.99 105.19 109.65 2q4s n GLY 80 Ca 0.11 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.76 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 -3.01 3.28 0.32 1.61 3.76 -0.51 -4.73 115.29 116.02 2q4s s HIS 81 Ca 0.00 1.64 -0.18 0.00 -0.15 0.00 0.00 55.06 56.37 2q4s s HIS 81 Cb 0.00 -3.14 0.05 0.00 1.11 0.00 0.00 32.58 30.61 2q4s s HIS 81 CO 0.00 -0.63 0.83 0.20 -0.85 0.00 0.00 174.74 174.29 2q4s s GLY 82 N -1.53 0.21 0.45 -2.22 0.00 -1.26 0.58 107.32 103.55 2q4s s GLY 82 Ca 0.57 -0.55 0.08 0.00 0.00 0.00 0.00 44.72 44.82 2q4s s GLY 82 CO 0.28 0.18 0.52 -1.35 0.00 0.00 0.00 173.10 172.72 2q4s s SER 83 N -3.09 5.28 0.86 1.64 1.04 0.22 -4.83 113.70 114.82 2q4s s SER 83 Ca 0.15 -0.66 -0.09 0.00 0.48 0.00 0.00 55.95 55.84 2q4s s SER 83 Cb -0.05 -0.42 0.17 0.00 0.10 0.00 0.00 66.02 65.82 2q4s s SER 83 CO 0.09 -0.82 1.18 -0.44 0.98 0.00 0.00 173.24 174.23 2q4s s SER 84 N -4.30 3.63 0.12 7.02 0.01 -1.26 -4.49 113.70 114.42 2q4s s SER 84 Ca 0.52 -0.07 -0.30 0.00 1.31 0.00 0.00 55.95 57.41 2q4s s SER 84 Cb -0.06 -0.10 -0.06 0.00 0.21 0.00 0.00 66.02 66.00 2q4s s SER 84 CO 0.31 -2.36 1.10 -0.63 0.41 0.00 0.00 173.24 172.06 2q4s s ILE 85 N -3.55 4.11 0.18 1.44 1.01 -1.26 -4.38 121.20 118.74 2q4s s ILE 85 Ca 0.71 1.68 -0.14 0.00 0.00 0.00 0.00 60.65 62.90 2q4s s ILE 85 Cb -0.04 -4.07 0.02 0.00 0.01 0.00 0.00 42.46 38.37 2q4s s ILE 85 CO 0.49 0.22 0.42 -1.38 0.00 0.00 0.00 174.94 174.70 2q4s s HIS 86 N 0.29 0.06 0.34 3.97 -3.43 -1.07 -1.71 115.29 113.74 2q4s s HIS 86 Ca 0.52 -0.41 0.05 0.00 -0.80 0.00 0.00 55.06 54.42 2q4s s HIS 86 Cb -0.28 0.22 0.05 0.00 -1.43 0.00 0.00 32.58 31.14 2q4s s HIS 86 CO 0.32 -0.82 0.41 -0.40 -2.00 0.00 0.00 174.74 172.24 2q4s n ASP 87 N -0.28 1.47 -0.69 7.38 5.68 -1.11 -2.58 116.55 126.42 2q4s n ASP 87 Ca -0.10 -1.96 0.04 0.00 -0.50 0.00 0.00 54.79 52.27 2q4s n ASP 87 Cb 0.63 -0.19 0.07 0.00 -1.14 0.00 0.00 41.12 40.49 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 -1.61 0.00 -3.56 2.11 8.25 -1.26 -4.59 115.22 114.57 2q4s n HIS 88 Ca 0.07 -0.62 -0.19 0.00 -0.26 0.00 0.00 57.72 56.71 2q4s n HIS 88 Cb 0.36 -0.13 0.06 0.00 1.12 0.00 0.00 29.99 31.39 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 -0.39 -5.44 -1.63 1.59 -1.04 -1.26 -2.08 114.28 104.03 2q4s n THR 89 Ca 0.09 -0.56 -0.14 0.00 -2.04 0.00 0.00 64.05 61.39 2q4s n THR 89 Cb 0.80 -4.48 -0.05 0.00 -1.82 0.00 0.00 70.33 64.79 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 -3.09 -3.88 -4.52 8.00 8.00 -1.26 -4.94 116.55 114.87 2q4s n ASP 90 Ca -0.28 0.31 -0.24 0.00 0.71 0.00 0.00 54.79 55.29 2q4s n ASP 90 Cb 0.67 -3.51 -0.09 0.00 -0.02 0.00 0.00 41.12 38.16 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 -2.17 3.82 0.47 -2.24 0.01 -0.88 -4.82 113.70 107.89 2q4s s SER 91 Ca 0.00 -0.95 -0.21 0.00 1.31 0.00 0.00 55.95 56.10 2q4s s SER 91 Cb 0.00 -0.43 -0.08 0.00 0.21 0.00 0.00 66.02 65.72 2q4s s SER 91 CO 0.00 0.02 1.06 -1.00 0.41 0.00 0.00 173.24 173.73 2q4s s HIS 92 N -2.47 3.01 -0.08 2.43 3.76 0.26 -4.60 115.29 117.59 2q4s s HIS 92 Ca 0.31 1.58 -0.03 0.00 -0.15 0.00 0.00 55.06 56.77 2q4s s HIS 92 Cb -0.05 -3.13 0.05 0.00 1.11 0.00 0.00 32.58 30.55 2q4s s HIS 92 CO 0.16 -0.93 0.16 0.00 -0.85 0.00 0.00 174.74 173.28 2q4s s PHE 94 N 2.00 2.64 -0.21 0.00 0.08 -0.07 -1.24 117.98 121.18 2q4s s PHE 94 Ca -0.00 -0.20 -0.02 0.00 0.12 0.00 0.00 56.93 56.82 2q4s s PHE 94 Cb -0.12 -1.55 0.06 0.00 -0.57 0.00 0.00 43.02 40.84 2q4s s PHE 94 CO -0.06 0.22 0.02 -1.17 -0.10 0.00 0.00 175.22 174.13 2q4s s LEU 95 N -1.11 1.50 -0.13 -0.37 0.20 0.37 -1.80 118.68 117.34 2q4s s LEU 95 Ca 0.13 -0.93 -0.02 0.00 0.69 0.00 0.00 54.13 54.00 2q4s s LEU 95 Cb -0.11 -0.72 -0.03 0.00 -0.43 0.00 0.00 46.19 44.90 2q4s s LEU 95 CO 0.03 -0.30 -0.05 -0.75 -0.29 0.00 0.00 176.35 175.00 2q4s s LYS 96 N 1.76 3.44 0.05 1.98 2.20 0.03 -0.73 119.74 128.46 2q4s s LYS 96 Ca -0.02 -0.53 -0.30 0.00 -0.36 0.00 0.00 55.97 54.77 2q4s s LYS 96 Cb -0.17 -2.82 -0.04 0.00 -1.51 0.00 0.00 37.83 33.28 2q4s s LYS 96 CO -0.08 0.35 0.96 -0.51 -0.36 0.00 0.00 175.35 175.71 2q4s s LEU 97 N 0.06 4.43 -0.13 5.43 2.01 -0.46 -0.71 118.68 129.31 2q4s s LEU 97 Ca -0.01 1.71 0.13 0.00 0.01 0.00 0.00 54.13 55.97 2q4s s LEU 97 Cb -0.14 -3.56 -0.18 0.00 0.01 0.00 0.00 46.19 42.32 2q4s s LEU 97 CO 0.03 -0.17 0.08 0.18 1.01 0.00 0.00 176.35 177.48 2q4s n LEU 98 N 3.38 0.00 -3.67 1.79 4.77 0.31 -0.21 117.00 123.38 2q4s n LEU 98 Ca 0.04 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.88 2q4s n LEU 98 Cb 0.50 0.31 -0.08 0.00 -2.33 0.00 0.00 43.42 41.82 2q4s n LEU 98 CO 0.51 0.31 0.24 -1.58 -1.33 0.00 0.00 177.39 175.55 2q4s s GLN 99 N -2.41 0.71 2.82 3.23 0.74 -0.85 -4.84 119.66 119.06 2q4s s GLN 99 Ca -0.07 0.58 0.00 0.00 0.05 0.00 0.00 55.36 55.92 2q4s s GLN 99 Cb 0.05 0.34 0.00 0.00 1.10 0.00 0.00 33.01 34.50 2q4s s GLN 99 CO 0.58 -0.13 0.00 0.41 -0.55 0.00 0.00 175.29 175.61 2q4s n GLY 100 N 2.33 -0.11 3.12 2.59 0.00 -1.26 -0.95 105.19 110.92 2q4s n GLY 100 Ca -0.15 -1.01 -0.09 0.00 0.00 0.00 0.00 46.02 44.77 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 0.16 0.01 1.61 0.01 -1.26 -3.48 114.94 107.99 2q4s s ASN 101 Ca 0.00 -0.51 0.03 0.00 -0.71 0.00 0.00 52.86 51.67 2q4s s ASN 101 Cb 0.00 0.23 -0.01 0.00 0.41 0.00 0.00 41.25 41.88 2q4s s ASN 101 CO 0.00 -0.51 -0.09 -0.76 -1.51 0.00 0.00 177.10 174.23 2q4s s LEU 102 N -2.10 2.07 -0.10 0.60 1.43 -0.83 -4.69 118.68 115.06 2q4s s LEU 102 Ca -0.05 -0.25 -0.14 0.00 -1.03 0.00 0.00 54.13 52.67 2q4s s LEU 102 Cb -0.01 -0.43 -0.05 0.00 0.03 0.00 0.00 46.19 45.73 2q4s s LEU 102 CO -0.04 0.06 0.33 -0.75 0.23 0.00 0.00 176.35 176.17 2q4s s LYS 103 N -0.51 4.03 -0.03 1.70 2.20 0.15 -0.33 119.74 126.96 2q4s s LYS 103 Ca 0.01 0.20 0.03 0.00 -0.36 0.00 0.00 55.97 55.86 2q4s s LYS 103 Cb -0.05 -3.32 -0.03 0.00 -1.51 0.00 0.00 37.83 32.92 2q4s s LYS 103 CO 0.00 0.46 -0.11 -2.00 -0.36 0.00 0.00 175.35 173.34 2q4s s GLU 104 N -0.24 2.53 -0.10 4.03 2.12 0.35 -0.81 118.70 126.57 2q4s s GLU 104 Ca 0.20 -0.70 -0.01 0.00 0.36 0.00 0.00 54.97 54.82 2q4s s GLU 104 Cb -0.14 -2.45 0.03 0.00 0.26 0.00 0.00 34.13 31.83 2q4s s GLU 104 CO 0.08 0.62 -0.06 0.99 -0.54 0.00 0.00 175.26 176.35 2q4s s THR 105 N -0.85 0.87 0.21 -1.70 2.01 -0.59 -1.87 115.64 113.72 2q4s s THR 105 Ca 0.14 -0.19 -0.17 0.00 0.31 0.00 0.00 61.69 61.78 2q4s s THR 105 Cb -0.11 -0.92 -0.08 0.00 0.01 0.00 0.00 72.50 71.40 2q4s s THR 105 CO 0.03 0.34 0.66 -0.76 -0.69 0.00 0.00 174.62 174.20 2q4s s LEU 106 N 1.77 4.31 0.04 4.42 1.43 -0.31 -1.18 118.68 129.16 2q4s s LEU 106 Ca 0.05 1.27 0.03 0.00 -1.03 0.00 0.00 54.13 54.45 2q4s s LEU 106 Cb -0.12 -3.53 -0.02 0.00 0.03 0.00 0.00 46.19 42.55 2q4s s LEU 106 CO -0.08 0.03 -0.10 -0.36 0.23 0.00 0.00 176.35 176.08 2q4s s PHE 107 N -1.56 0.85 0.40 0.29 0.08 0.25 -1.51 117.98 116.79 2q4s s PHE 107 Ca 0.42 -0.41 -0.15 0.00 0.12 0.00 0.00 56.93 56.92 2q4s s PHE 107 Cb -0.15 -0.50 -0.08 0.00 -0.57 0.00 0.00 43.02 41.71 2q4s s PHE 107 CO 0.20 -0.02 0.83 -0.51 -0.10 0.00 0.00 175.22 175.61 2q4s s ASP 108 N -1.34 6.68 0.42 1.36 1.01 -1.26 -1.02 116.67 122.53 2q4s s ASP 108 Ca -0.05 1.35 -0.26 0.00 0.71 0.00 0.00 52.55 54.30 2q4s s ASP 108 Cb -0.09 -2.41 -0.10 0.00 1.01 0.00 0.00 42.92 41.34 2q4s s ASP 108 CO 0.01 -0.37 1.33 0.79 0.21 0.00 0.00 175.17 177.14 2q4s n TRP 109 N -0.96 2.34 -0.72 4.23 7.02 -1.26 -4.82 117.44 123.27 2q4s n TRP 109 Ca 0.04 0.48 -0.02 0.00 -1.02 0.00 0.00 57.50 56.98 2q4s n TRP 109 Cb 0.54 -2.41 0.02 0.00 -2.42 0.00 0.00 31.31 27.04 2q4s n TRP 109 CO 0.00 0.00 0.00 -0.35 -2.02 0.00 0.00 177.69 175.32 2q4s n PRO 110 N 0.03 -0.80 -4.30 -0.99 -0.04 -1.26 -5.10 135.00 122.53 2q4s n PRO 110 Ca 0.06 -0.14 -0.16 0.00 -0.04 0.00 0.00 63.50 63.22 2q4s n PRO 110 Cb 0.40 -0.11 -0.10 0.00 -0.04 0.00 0.00 33.50 33.64 2q4s n PRO 110 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2q4s s ASP 111 N -1.60 1.39 0.65 3.54 1.01 -1.26 -5.01 116.67 115.40 2q4s s ASP 111 Ca 0.05 -1.29 0.40 0.00 0.71 0.00 0.00 52.55 52.43 2q4s s ASP 111 Cb -0.00 0.10 2.17 0.00 1.01 0.00 0.00 42.92 46.20 2q4s s ASP 111 CO 0.04 -0.63 2.22 0.11 0.21 0.00 0.00 175.17 177.12 2q4s h LYS 112 N 2.48 0.00 -6.88 8.23 1.79 -1.97 -3.42 116.57 116.79 2q4s h LYS 112 Ca -0.38 0.00 -0.47 0.00 -2.18 0.00 0.00 60.65 57.62 2q4s h LYS 112 Cb 1.23 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.86 2q4s h LYS 112 CO 0.63 0.00 0.36 0.15 -1.08 0.00 0.00 179.45 179.50 2q4s s LYS 113 N -4.10 4.56 -0.44 3.15 -0.14 -1.26 -5.00 119.74 116.50 2q4s s LYS 113 Ca -0.04 1.37 -0.29 0.00 -1.36 0.00 0.00 55.97 55.65 2q4s s LYS 113 Cb 0.12 -2.81 0.03 0.00 -1.68 0.00 0.00 37.83 33.48 2q4s s LYS 113 CO 0.36 0.25 1.11 0.45 -0.76 0.00 0.00 175.35 176.76 2q4s s SER 114 N -1.56 6.69 0.02 2.83 0.15 -1.26 -4.84 113.70 115.72 2q4s s SER 114 Ca 0.50 0.57 -0.03 0.00 0.70 0.00 0.00 55.95 57.69 2q4s s SER 114 Cb -0.20 -2.54 -0.01 0.00 -1.71 0.00 0.00 66.02 61.56 2q4s s SER 114 CO 0.25 -1.17 0.04 0.20 1.20 0.00 0.00 173.24 173.76 2q4s s ASN 115 N 2.28 0.17 0.00 5.45 0.01 -1.22 -4.99 114.94 116.64 2q4s s ASN 115 Ca 0.47 -0.41 0.00 0.00 -0.71 0.00 0.00 52.86 52.20 2q4s s ASN 115 Cb -0.08 0.15 0.00 0.00 0.41 0.00 0.00 41.25 41.72 2q4s s ASN 115 CO 0.28 -0.35 0.00 1.21 -1.51 0.00 0.00 177.10 176.73 2q4s n GLU 116 N 1.45 3.15 -3.64 -0.60 4.07 -1.26 -3.70 120.64 120.11 2q4s n GLU 116 Ca -0.23 0.00 -0.02 0.00 -0.06 0.00 0.00 57.16 56.85 2q4s n GLU 116 Cb 0.56 0.00 -0.07 0.00 -0.06 0.00 0.00 31.44 31.87 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 0.13 6.31 -1.09 -1.26 -5.00 121.20 120.29 2q4s s ILE 118 Ca 0.00 0.00 -0.32 0.00 -2.23 0.00 0.00 60.65 58.10 2q4s s ILE 118 Cb 0.00 -1.00 -0.11 0.00 -1.58 0.00 0.00 42.46 39.77 2q4s s ILE 118 CO 0.00 0.00 1.81 2.29 -1.23 0.00 0.00 174.94 177.81 2q4s n LYS 119 N 3.34 2.71 0.11 2.79 2.85 -1.26 -4.68 118.16 124.02 2q4s n LYS 119 Ca -0.17 0.99 0.00 0.00 -1.05 0.00 0.00 58.31 58.07 2q4s n LYS 119 Cb 0.57 -2.86 -0.02 0.00 -0.65 0.00 0.00 35.03 32.07 2q4s n LYS 119 CO 0.00 0.00 0.00 1.57 -0.05 0.00 0.00 177.40 178.92 2q4s h LYS 120 N 8.16 0.00 -1.58 -1.58 2.10 -1.65 -3.49 116.57 118.54 2q4s h LYS 120 Ca -0.46 0.00 0.27 0.00 -2.00 0.00 0.00 60.65 58.46 2q4s h LYS 120 Cb 1.22 0.00 -0.15 0.00 -0.90 0.00 0.00 32.23 32.40 2q4s h LYS 120 CO 0.94 0.58 0.77 -1.54 -2.00 0.00 0.00 179.45 178.21 2q4s s SER 121 N -6.43 -0.12 0.07 7.07 1.04 -1.25 -5.01 113.70 109.06 2q4s s SER 121 Ca 0.02 -0.09 -0.16 0.00 0.48 0.00 0.00 55.95 56.21 2q4s s SER 121 Cb 0.08 0.19 0.03 0.00 0.10 0.00 0.00 66.02 66.42 2q4s s SER 121 CO 0.77 -0.34 0.37 -1.83 0.98 0.00 0.00 173.24 173.19 2q4s s GLU 122 N -2.53 0.94 0.23 4.02 -1.05 -1.26 -1.17 118.70 117.88 2q4s s GLU 122 Ca 0.11 -0.55 -0.16 0.00 -0.15 0.00 0.00 54.97 54.22 2q4s s GLU 122 Cb 0.01 0.41 0.01 0.00 -0.44 0.00 0.00 34.13 34.13 2q4s s GLU 122 CO -0.04 -0.33 0.53 -0.98 0.95 0.00 0.00 175.26 175.38 2q4s s ARG 123 N -3.04 1.50 -0.24 -4.83 1.70 -0.78 -4.99 118.95 108.27 2q4s s ARG 123 Ca -0.02 -1.05 -0.07 0.00 -0.47 0.00 0.00 55.73 54.12 2q4s s ARG 123 Cb 0.01 0.51 -0.03 0.00 -0.57 0.00 0.00 34.95 34.87 2q4s s ARG 123 CO -0.06 -0.64 0.06 0.99 -1.08 0.00 0.00 175.30 174.57 2q4s s THR 124 N -3.94 4.31 -0.19 4.99 2.01 -1.26 -0.50 115.64 121.06 2q4s s THR 124 Ca 0.15 -0.18 -0.19 0.00 0.31 0.00 0.00 61.69 61.79 2q4s s THR 124 Cb -0.01 -3.00 -0.03 0.00 0.01 0.00 0.00 72.50 69.46 2q4s s THR 124 CO 0.03 0.36 0.52 -0.76 -0.69 0.00 0.00 174.62 174.08 2q4s s LEU 125 N 1.47 4.16 0.32 4.42 1.43 0.55 -4.97 118.68 126.06 2q4s s LEU 125 Ca 0.06 0.70 0.07 0.00 -1.03 0.00 0.00 54.13 53.93 2q4s s LEU 125 Cb -0.15 -2.72 -0.02 0.00 0.03 0.00 0.00 46.19 43.33 2q4s s LEU 125 CO 0.03 -0.17 0.32 -0.13 0.23 0.00 0.00 176.35 176.63 2q4s s ARG 126 N 1.56 2.84 0.14 1.70 0.52 -1.26 -1.97 118.95 122.48 2q4s s ARG 126 Ca 0.25 -1.20 -0.34 0.00 -0.52 0.00 0.00 55.73 53.92 2q4s s ARG 126 Cb -0.15 -2.56 -0.17 0.00 0.52 0.00 0.00 34.95 32.59 2q4s s ARG 126 CO 0.10 0.13 1.04 0.39 0.02 0.00 0.00 175.30 176.98 2q4s n GLU 127 N -1.41 0.72 0.00 3.54 1.02 -1.23 -1.27 120.64 122.02 2q4s n GLU 127 Ca -0.02 0.26 0.00 0.00 -0.02 0.00 0.00 57.16 57.37 2q4s n GLU 127 Cb 0.59 -1.68 0.00 0.00 -0.02 0.00 0.00 31.44 30.33 2q4s n GLU 127 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2q4s n ASN 128 N 1.91 0.00 -4.76 1.62 3.02 0.71 -4.93 115.26 112.83 2q4s n ASN 128 Ca 0.17 0.00 -0.36 0.00 -0.03 0.00 0.00 54.58 54.36 2q4s n ASN 128 Cb 0.21 -0.29 0.02 0.00 -0.61 0.00 0.00 39.78 39.11 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 0.00 3.24 -0.17 3.52 -0.44 -0.39 -4.47 119.66 120.94 2q4s s GLN 129 Ca 0.00 1.79 0.00 0.00 -2.50 0.00 0.00 55.36 54.65 2q4s s GLN 129 Cb 0.00 -2.06 0.04 0.00 -1.64 0.00 0.00 33.01 29.35 2q4s s GLN 129 CO 0.00 -0.98 -0.10 0.00 0.50 0.00 0.00 175.29 174.71 2q4s s ALA 131 N 1.50 4.16 0.02 0.00 0.00 0.09 -4.90 121.76 122.62 2q4s s ALA 131 Ca 0.01 -1.41 0.01 0.00 0.00 0.00 0.00 51.96 50.57 2q4s s ALA 131 Cb -0.15 -1.68 -0.01 0.00 0.00 0.00 0.00 23.12 21.28 2q4s s ALA 131 CO -0.09 0.03 -0.04 -0.47 0.00 0.00 0.00 175.76 175.20 2q4s s TYR 132 N -2.13 0.38 0.02 0.00 6.14 -1.26 -0.48 117.35 120.01 2q4s s TYR 132 Ca 0.42 -0.28 -0.13 0.00 0.64 0.00 0.00 57.07 57.72 2q4s s TYR 132 Cb -0.09 -0.24 0.02 0.00 0.42 0.00 0.00 41.96 42.07 2q4s s TYR 132 CO 0.30 -0.07 0.29 -1.50 0.64 0.00 0.00 175.55 175.21 2q4s s ILE 133 N -0.74 0.08 0.27 3.14 2.07 -0.37 -5.03 121.20 120.62 2q4s s ILE 133 Ca -0.06 -0.62 -0.07 0.00 -1.41 0.00 0.00 60.65 58.49 2q4s s ILE 133 Cb -0.06 -0.77 -0.01 0.00 0.13 0.00 0.00 42.46 41.75 2q4s s ILE 133 CO -0.00 -0.34 0.42 0.54 -1.91 0.00 0.00 174.94 173.64 2q4s s ASN 134 N -1.72 0.28 0.48 4.50 2.20 -1.26 -2.24 114.94 117.18 2q4s s ASN 134 Ca -0.09 -1.20 0.21 0.00 -0.94 0.00 0.00 52.86 50.84 2q4s s ASN 134 Cb -0.03 0.58 1.22 0.00 -2.00 0.00 0.00 41.25 41.01 2q4s s ASN 134 CO 0.00 -1.14 2.02 0.44 -2.94 0.00 0.00 177.10 175.47 2q4s h ASP 135 N 2.27 0.00 0.42 3.54 3.32 -1.81 -1.78 116.42 122.37 2q4s h ASP 135 Ca -0.29 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.76 2q4s h ASP 135 Cb 1.25 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.80 2q4s h ASP 135 CO 0.40 0.17 0.00 -1.20 -1.72 0.00 0.00 179.24 176.89 2q4s n SER 136 N -3.92 0.00 -0.13 6.45 7.64 -1.26 -3.11 113.62 119.29 2q4s n SER 136 Ca -0.02 -0.01 -0.19 0.00 1.01 0.00 0.00 58.87 59.66 2q4s n SER 136 Cb 0.26 -0.29 -0.11 0.00 -1.01 0.00 0.00 64.21 63.06 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 -1.29 1.45 -2.95 0.44 5.41 -0.69 -5.12 119.36 116.61 2q4s n ILE 137 Ca 0.10 -0.54 0.00 0.00 1.00 0.00 0.00 62.75 63.32 2q4s n ILE 137 Cb 0.17 -1.44 0.00 0.00 -0.71 0.00 0.00 39.64 37.66 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 2.19 -0.42 3.40 7.39 0.00 -1.09 -5.00 105.19 111.66 2q4s n GLY 138 Ca -0.46 -1.36 -0.33 0.00 0.00 0.00 0.00 46.02 43.87 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 2.67 0.09 0.99 1.43 -0.19 -4.42 118.68 119.25 2q4s s LEU 139 Ca 0.00 -0.30 0.06 0.00 -1.03 0.00 0.00 54.13 52.86 2q4s s LEU 139 Cb 0.00 -1.57 -0.03 0.00 0.03 0.00 0.00 46.19 44.62 2q4s s LEU 139 CO 0.00 0.23 -0.14 -1.38 0.23 0.00 0.00 176.35 175.29 2q4s s HIS 140 N -0.07 1.32 0.02 0.29 -3.43 -1.07 0.87 115.29 113.24 2q4s s HIS 140 Ca -0.03 -0.50 0.00 0.00 -0.80 0.00 0.00 55.06 53.73 2q4s s HIS 140 Cb -0.14 -0.72 -0.04 0.00 -1.43 0.00 0.00 32.58 30.25 2q4s s HIS 140 CO 0.04 0.10 0.09 0.50 -2.00 0.00 0.00 174.74 173.47 2q4s s ARG 141 N -2.18 3.05 -0.03 -0.38 3.52 -0.33 -2.59 118.95 120.02 2q4s s ARG 141 Ca 0.03 -0.53 0.07 0.00 -0.13 0.00 0.00 55.73 55.18 2q4s s ARG 141 Cb -0.08 -2.84 -0.02 0.00 -1.56 0.00 0.00 34.95 30.46 2q4s s ARG 141 CO 0.03 0.63 -0.23 0.08 -0.81 0.00 0.00 175.30 174.99 2q4s s VAL 142 N -1.26 1.88 -0.10 7.11 1.01 -1.26 -1.54 120.40 126.24 2q4s s VAL 142 Ca 0.25 -1.00 -0.08 0.00 0.00 0.00 0.00 61.98 61.14 2q4s s VAL 142 Cb -0.12 -1.57 0.03 0.00 0.00 0.00 0.00 36.38 34.72 2q4s s VAL 142 CO 0.17 0.53 0.26 -1.61 0.00 0.00 0.00 175.10 174.45 2q4s s GLU 143 N -0.42 0.29 -0.91 2.72 2.02 0.01 0.69 118.70 123.10 2q4s s GLU 143 Ca 0.05 0.41 -0.12 0.00 0.02 0.00 0.00 54.97 55.33 2q4s s GLU 143 Cb -0.10 0.09 0.24 0.00 0.10 0.00 0.00 34.13 34.46 2q4s s GLU 143 CO 0.00 -0.06 0.86 1.21 0.02 0.00 0.00 175.26 177.29 2q4s s ASN 144 N 0.38 6.86 0.00 -0.19 2.47 0.20 0.33 114.94 124.98 2q4s s ASN 144 Ca -0.02 -3.00 0.22 0.00 0.42 0.00 0.00 52.86 50.49 2q4s s ASN 144 Cb -0.04 -2.19 1.34 0.00 -1.45 0.00 0.00 41.25 38.91 2q4s s ASN 144 CO -0.02 -0.47 1.72 1.33 -3.72 0.00 0.00 177.10 175.95 2q4s n VAL 145 N 3.53 0.00 -1.74 -5.21 0.24 -1.26 -1.11 118.33 112.77 2q4s n VAL 145 Ca 0.17 0.00 -0.40 0.00 -2.04 0.00 0.00 64.34 62.07 2q4s n VAL 145 Cb 0.44 -0.60 0.02 0.00 -1.47 0.00 0.00 33.84 32.22 2q4s n VAL 145 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 2q4s n SER 146 N -0.97 3.12 0.00 -1.34 2.88 -1.26 -4.59 113.62 111.46 2q4s n SER 146 Ca 0.17 1.12 0.11 0.00 -1.33 0.00 0.00 58.87 58.94 2q4s n SER 146 Cb 0.08 -1.57 -0.02 0.00 -0.75 0.00 0.00 64.21 61.94 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 -0.17 0.04 -0.16 0.66 8.25 -1.26 -1.67 115.22 120.91 2q4s n HIS 147 Ca 0.05 0.01 0.00 0.00 -0.26 0.00 0.00 57.72 57.52 2q4s n HIS 147 Cb 0.41 -0.14 0.00 0.00 1.12 0.00 0.00 29.99 31.37 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 -1.61 0.00 -4.78 1.59 -2.24 -1.26 -4.93 114.28 101.05 2q4s n THR 148 Ca 0.04 -0.26 -0.27 0.00 -2.27 0.00 0.00 64.05 61.28 2q4s n THR 148 Cb 0.36 1.16 -0.17 0.00 -2.10 0.00 0.00 70.33 69.58 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 -0.35 2.10 0.31 -0.78 0.41 -1.26 -5.04 118.70 114.09 2q4s s GLU 149 Ca 0.00 -0.56 -0.23 0.00 -0.41 0.00 0.00 54.97 53.77 2q4s s GLU 149 Cb 0.00 -1.67 -0.10 0.00 -1.78 0.00 0.00 34.13 30.58 2q4s s GLU 149 CO 0.00 0.08 0.87 -1.25 -0.49 0.00 0.00 175.26 174.47 2q4s s PRO 150 N 0.54 4.39 0.21 0.39 0.04 -1.26 -4.50 135.00 134.81 2q4s s PRO 150 Ca -0.15 1.12 0.07 0.00 0.04 0.00 0.00 61.00 62.07 2q4s s PRO 150 Cb -0.16 -2.69 -0.04 0.00 0.04 0.00 0.00 34.50 31.65 2q4s s PRO 150 CO 0.05 0.25 0.12 0.00 0.04 0.00 0.00 177.00 177.46 2q4s s ALA 151 N -1.71 3.47 -0.04 8.56 0.00 -0.75 -3.99 121.76 127.30 2q4s s ALA 151 Ca 0.51 -1.37 -0.01 0.00 0.00 0.00 0.00 51.96 51.09 2q4s s ALA 151 Cb -0.16 -1.21 0.03 0.00 0.00 0.00 0.00 23.12 21.78 2q4s s ALA 151 CO 0.21 0.38 0.03 0.08 0.00 0.00 0.00 175.76 176.45 2q4s s VAL 152 N -1.96 0.07 0.02 0.00 1.01 -0.12 -1.44 120.40 117.98 2q4s s VAL 152 Ca 0.31 0.25 0.06 0.00 0.00 0.00 0.00 61.98 62.60 2q4s s VAL 152 Cb -0.09 -0.25 -0.02 0.00 0.00 0.00 0.00 36.38 36.02 2q4s s VAL 152 CO 0.23 0.18 -0.18 -0.94 0.00 0.00 0.00 175.10 174.39 2q4s s SER 153 N 1.69 2.08 -0.30 3.32 1.04 -0.10 0.11 113.70 121.54 2q4s s SER 153 Ca -0.01 -0.42 -0.10 0.00 0.48 0.00 0.00 55.95 55.91 2q4s s SER 153 Cb -0.13 -0.19 -0.02 0.00 0.10 0.00 0.00 66.02 65.78 2q4s s SER 153 CO -0.03 0.15 0.16 -0.22 0.98 0.00 0.00 173.24 174.28 2q4s s LEU 154 N -0.84 4.07 -0.10 2.42 2.96 0.11 0.49 118.68 127.79 2q4s s LEU 154 Ca 0.06 -0.36 0.01 0.00 -0.22 0.00 0.00 54.13 53.61 2q4s s LEU 154 Cb -0.08 -2.04 -0.02 0.00 0.50 0.00 0.00 46.19 44.56 2q4s s LEU 154 CO 0.01 -0.15 -0.12 -1.00 -1.32 0.00 0.00 176.35 173.76 2q4s s HIS 155 N 1.66 2.81 -0.14 5.38 3.76 -1.26 -0.79 115.29 126.71 2q4s s HIS 155 Ca 0.06 -0.40 0.02 0.00 -0.15 0.00 0.00 55.06 54.58 2q4s s HIS 155 Cb -0.17 -1.78 0.01 0.00 1.11 0.00 0.00 32.58 31.76 2q4s s HIS 155 CO 0.08 -0.03 -0.21 -1.17 -0.85 0.00 0.00 174.74 172.56 2q4s s LEU 156 N -0.08 2.08 -0.06 0.89 0.20 -0.74 -4.19 118.68 116.78 2q4s s LEU 156 Ca -0.02 -0.60 0.06 0.00 0.69 0.00 0.00 54.13 54.26 2q4s s LEU 156 Cb -0.14 -1.42 -0.01 0.00 -0.43 0.00 0.00 46.19 44.19 2q4s s LEU 156 CO 0.04 0.06 -0.24 -0.31 -0.29 0.00 0.00 176.35 175.61 2q4s s TYR 157 N 0.91 2.35 -0.14 5.38 2.02 0.05 -0.89 117.35 127.02 2q4s s TYR 157 Ca -0.05 -0.71 -0.05 0.00 -0.37 0.00 0.00 57.07 55.89 2q4s s TYR 157 Cb -0.15 -1.54 0.07 0.00 -0.40 0.00 0.00 41.96 39.93 2q4s s TYR 157 CO -0.04 -0.22 0.29 0.45 -1.57 0.00 0.00 175.55 174.46 2q4s s SER 158 N -0.12 0.24 0.83 2.29 0.15 -0.53 -0.69 113.70 115.87 2q4s s SER 158 Ca -0.04 0.67 -0.11 0.00 0.70 0.00 0.00 55.95 57.16 2q4s s SER 158 Cb -0.14 0.82 0.09 0.00 -1.71 0.00 0.00 66.02 65.09 2q4s s SER 158 CO 0.04 -0.24 1.09 -2.84 1.20 0.00 0.00 173.24 172.49 2q4s s PRO 159 N 2.46 1.76 0.69 5.44 0.02 -1.26 0.93 135.00 145.03 2q4s s PRO 159 Ca 0.01 0.97 -0.15 0.00 0.02 0.00 0.00 61.00 61.85 2q4s s PRO 159 Cb -0.12 -1.86 0.02 0.00 0.02 0.00 0.00 34.50 32.56 2q4s s PRO 159 CO -0.09 -1.93 1.14 -2.14 -0.33 0.00 0.00 177.00 173.64 2q4s s PRO 160 N -4.93 2.55 0.05 5.54 0.02 -1.25 -4.75 135.00 132.23 2q4s s PRO 160 Ca 0.62 1.50 -0.08 0.00 0.02 0.00 0.00 61.00 63.06 2q4s s PRO 160 Cb -0.17 -1.91 -0.00 0.00 0.02 0.00 0.00 34.50 32.43 2q4s s PRO 160 CO 0.56 -1.46 0.15 -0.59 -0.33 0.00 0.00 177.00 175.33 2q4s s PHE 161 N -2.26 0.15 -0.48 6.54 -0.12 -1.26 -5.01 117.98 115.53 2q4s s PHE 161 Ca 0.69 -0.45 0.05 0.00 -0.05 0.00 0.00 56.93 57.16 2q4s s PHE 161 Cb -0.23 -0.09 0.01 0.00 -0.63 0.00 0.00 43.02 42.08 2q4s s PHE 161 CO 0.43 -0.43 0.52 -0.40 -0.05 0.00 0.00 175.22 175.29 2q4s n ASP 162 N 0.52 1.06 -4.13 1.98 5.68 -1.26 -5.03 116.55 115.37 2q4s n ASP 162 Ca -0.18 -1.03 -0.10 0.00 -0.50 0.00 0.00 54.79 52.99 2q4s n ASP 162 Cb 0.60 0.28 -0.10 0.00 -1.14 0.00 0.00 41.12 40.76 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 -0.68 0.52 0.14 2.12 -4.23 -1.26 -4.55 115.64 107.70 2q4s s THR 163 Ca 0.04 -1.77 -0.03 0.00 -1.18 0.00 0.00 61.69 58.75 2q4s s THR 163 Cb 0.04 -1.47 0.01 0.00 1.34 0.00 0.00 72.50 72.42 2q4s s THR 163 CO 0.09 -0.85 0.24 0.00 -0.54 0.00 0.00 174.62 173.56 2q4s s HIS 165 N -5.17 2.40 -0.09 0.00 3.76 -1.26 -0.65 115.29 114.28 2q4s s HIS 165 Ca 0.09 -0.42 -0.03 0.00 -0.15 0.00 0.00 55.06 54.55 2q4s s HIS 165 Cb -0.01 -1.53 -0.03 0.00 1.11 0.00 0.00 32.58 32.12 2q4s s HIS 165 CO 0.07 -0.02 0.02 0.00 -0.85 0.00 0.00 174.74 173.96 2q4s s ALA 166 N -0.59 3.38 -0.09 -1.40 0.00 -0.39 -2.76 121.76 119.91 2q4s s ALA 166 Ca 0.09 -0.78 0.02 0.00 0.00 0.00 0.00 51.96 51.30 2q4s s ALA 166 Cb -0.10 -1.57 -0.02 0.00 0.00 0.00 0.00 23.12 21.43 2q4s s ALA 166 CO -0.00 0.58 -0.16 -0.06 0.00 0.00 0.00 175.76 176.12 2q4s s PHE 167 N -0.85 2.70 -0.30 0.00 0.08 -0.69 -1.21 117.98 117.70 2q4s s PHE 167 Ca 0.13 -0.47 -0.29 0.00 0.12 0.00 0.00 56.93 56.42 2q4s s PHE 167 Cb -0.11 -1.72 0.00 0.00 -0.57 0.00 0.00 43.02 40.62 2q4s s PHE 167 CO 0.02 -0.05 1.31 0.34 -0.10 0.00 0.00 175.22 176.74 2q4s s ASP 168 N -0.17 6.66 0.63 1.36 2.15 0.04 -4.36 116.67 122.98 2q4s s ASP 168 Ca -0.01 1.20 0.38 0.00 0.43 0.00 0.00 52.55 54.55 2q4s s ASP 168 Cb -0.13 -2.54 2.15 0.00 -0.30 0.00 0.00 42.92 42.10 2q4s s ASP 168 CO 0.03 -1.09 2.31 -0.61 -0.17 0.00 0.00 175.17 175.65 2q4s h GLN 169 N 9.35 0.00 -0.00 4.34 4.15 -1.96 0.38 115.11 131.37 2q4s h GLN 169 Ca -0.26 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.16 2q4s h GLN 169 Cb 1.10 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.79 2q4s h GLN 169 CO 1.03 0.00 -0.53 0.54 -1.93 0.00 0.00 178.83 177.95 2q4s n ARG 170 N -3.40 0.17 0.00 1.69 5.12 -1.26 -4.55 116.66 114.43 2q4s n ARG 170 Ca -0.03 -0.11 0.00 0.00 -1.93 0.00 0.00 57.85 55.78 2q4s n ARG 170 Cb 0.08 -1.50 0.00 0.00 -1.16 0.00 0.00 32.46 29.89 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 -1.32 0.00 -0.08 0.55 -2.24 -0.93 -4.02 114.28 106.23 2q4s n THR 171 Ca 0.07 -0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.84 2q4s n THR 171 Cb 0.34 0.25 0.00 0.00 -2.10 0.00 0.00 70.33 68.82 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 0.07 2.21 3.71 3.38 0.00 0.13 -3.45 105.19 111.24 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 1.86 -4.25 1.61 -0.00 -1.26 -4.60 115.22 106.58 2q4s n HIS 173 Ca 0.00 0.43 -0.16 0.00 -0.00 0.00 0.00 57.72 57.99 2q4s n HIS 173 Cb 0.00 -2.28 -0.10 0.00 -0.00 0.00 0.00 29.99 27.61 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 -3.07 1.07 -0.03 1.57 -2.85 -1.26 -0.78 119.74 114.39 2q4s s LYS 174 Ca 0.77 -1.38 0.01 0.00 -1.00 0.00 0.00 55.97 54.37 2q4s s LYS 174 Cb -0.40 -0.78 0.02 0.00 -2.06 0.00 0.00 37.83 34.61 2q4s s LYS 174 CO 0.45 0.12 -0.04 0.54 0.10 0.00 0.00 175.35 176.52 2q4s s ASN 175 N -2.91 0.74 -0.59 0.03 4.22 -0.35 -4.96 114.94 111.13 2q4s s ASN 175 Ca 0.14 -0.10 -0.28 0.00 -2.14 0.00 0.00 52.86 50.49 2q4s s ASN 175 Cb -0.01 -0.32 0.03 0.00 1.28 0.00 0.00 41.25 42.24 2q4s s ASN 175 CO 0.02 -0.04 1.16 -0.75 -2.04 0.00 0.00 177.10 175.46 2q4s s LYS 176 N 0.72 3.47 0.27 3.55 2.20 -1.26 -1.26 119.74 127.42 2q4s s LYS 176 Ca -0.09 0.14 -0.05 0.00 -0.36 0.00 0.00 55.97 55.61 2q4s s LYS 176 Cb -0.12 -4.03 -0.05 0.00 -1.51 0.00 0.00 37.83 32.11 2q4s s LYS 176 CO -0.00 -1.69 0.54 0.08 -0.36 0.00 0.00 175.35 173.92 2q4s s VAL 177 N 4.86 5.02 0.00 4.02 1.01 0.18 -4.92 120.40 130.58 2q4s s VAL 177 Ca 0.41 0.10 0.00 0.00 0.00 0.00 0.00 61.98 62.49 2q4s s VAL 177 Cb -0.08 -3.71 0.00 0.00 0.00 0.00 0.00 36.38 32.59 2q4s s VAL 177 CO 0.24 -0.26 0.00 0.41 0.00 0.00 0.00 175.10 175.49 2q4s n THR 178 N -0.75 0.00 -3.54 3.92 -1.04 -1.26 -1.75 114.28 109.86 2q4s n THR 178 Ca -0.01 0.00 -0.07 0.00 -2.04 0.00 0.00 64.05 61.93 2q4s n THR 178 Cb 0.54 -0.35 -0.02 0.00 -1.82 0.00 0.00 70.33 68.68 2q4s n THR 178 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 2q4s s THR 180 N -0.17 0.00 -0.16 12.58 -4.23 -1.26 -5.01 115.64 117.39 2q4s s THR 180 Ca 0.00 -0.05 -0.16 0.00 -1.18 0.00 0.00 61.69 60.29 2q4s s THR 180 Cb 0.00 -1.10 -0.04 0.00 1.34 0.00 0.00 72.50 72.70 2q4s s THR 180 CO 0.00 0.00 0.41 -0.36 -0.54 0.00 0.00 174.62 174.13 2q4s s PHE 181 N -2.95 3.45 0.31 3.99 0.08 -1.26 -4.74 117.98 116.85 2q4s s PHE 181 Ca 0.07 0.72 0.05 0.00 0.12 0.00 0.00 56.93 57.89 2q4s s PHE 181 Cb -0.01 -2.49 0.52 0.00 -0.57 0.00 0.00 43.02 40.46 2q4s s PHE 181 CO -0.07 0.12 1.77 1.25 -0.10 0.00 0.00 175.22 178.19 2q4s h HIS 182 N 6.95 0.42 -3.47 0.36 -0.00 -0.99 -3.43 115.15 115.00 2q4s h HIS 182 Ca -0.39 -0.08 -0.06 0.00 -0.00 0.00 0.00 60.37 59.84 2q4s h HIS 182 Cb 1.17 -0.11 -0.13 0.00 -0.00 0.00 0.00 27.41 28.34 2q4s h HIS 182 CO 0.64 0.59 -0.14 0.45 -0.00 0.00 0.00 177.93 179.47 2q4s s SER 183 N -6.83 -0.16 -0.05 3.26 0.15 -1.19 -1.35 113.70 107.54 2q4s s SER 183 Ca -0.06 -0.37 -0.01 0.00 0.70 0.00 0.00 55.95 56.21 2q4s s SER 183 Cb 0.14 0.44 0.03 0.00 -1.71 0.00 0.00 66.02 64.92 2q4s s SER 183 CO 0.77 -0.81 0.01 -0.54 1.20 0.00 0.00 173.24 173.87 2q4s s LYS 184 N -3.74 0.34 -1.90 5.44 1.02 -0.09 -1.52 119.74 119.28 2q4s s LYS 184 Ca 0.03 0.15 0.00 0.00 0.02 0.00 0.00 55.97 56.17 2q4s s LYS 184 Cb 0.02 -0.67 0.00 0.00 -0.52 0.00 0.00 37.83 36.66 2q4s s LYS 184 CO -0.11 -0.24 0.00 1.19 -0.92 0.00 0.00 175.35 175.27 2q4s n PHE 185 N 4.76 -0.49 -0.03 3.18 3.72 -0.47 -1.61 117.46 126.52 2q4s n PHE 185 Ca -0.14 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.26 2q4s n PHE 185 Cb 0.50 -3.51 0.00 0.00 -0.94 0.00 0.00 39.48 35.53 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 -0.62 0.35 3.56 1.37 0.00 -1.26 -5.05 105.19 103.54 2q4s n GLY 186 Ca -0.21 0.00 -0.34 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 -2.08 3.97 0.35 -0.61 -1.09 -0.64 -4.93 121.20 116.17 2q4s s ILE 187 Ca 0.00 -0.35 -0.29 0.00 -2.23 0.00 0.00 60.65 57.78 2q4s s ILE 187 Cb 0.00 -2.70 -0.11 0.00 -1.58 0.00 0.00 42.46 38.07 2q4s s ILE 187 CO 0.00 0.54 1.48 -0.60 -1.23 0.00 0.00 174.94 175.14 2q4s s ARG 188 N -0.18 4.14 -0.44 2.79 6.06 -1.26 -0.92 118.95 129.15 2q4s s ARG 188 Ca 0.04 2.53 0.02 0.00 -2.50 0.00 0.00 55.73 55.81 2q4s s ARG 188 Cb -0.13 -2.99 0.15 0.00 0.06 0.00 0.00 34.95 32.04 2q4s s ARG 188 CO 0.02 -0.51 0.28 0.95 -2.50 0.00 0.00 175.30 173.55 2q4s s THR 189 N -0.89 0.94 0.00 4.11 -4.23 -0.45 -4.85 115.64 110.28 2q4s s THR 189 Ca 0.54 -2.53 0.00 0.00 -1.18 0.00 0.00 61.69 58.52 2q4s s THR 189 Cb -0.46 -1.66 0.00 0.00 1.34 0.00 0.00 72.50 71.73 2q4s s THR 189 CO 0.59 -1.02 0.00 -2.65 -0.54 0.00 0.00 174.62 171.00