#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 4.03 0.19 -4.62 1.43 -1.26 -5.07 118.68 113.38 2q4s s LEU 6 Ca 0.00 0.04 0.04 0.00 -1.03 0.00 0.00 54.13 53.18 2q4s s LEU 6 Cb 0.00 -2.17 -0.03 0.00 0.03 0.00 0.00 46.19 44.02 2q4s s LEU 6 CO 0.00 -0.07 0.30 -0.76 0.23 0.00 0.00 176.35 176.05 2q4s s LEU 7 N 1.79 4.27 -0.23 1.79 1.02 -1.26 -5.06 118.68 121.00 2q4s s LEU 7 Ca 0.08 0.09 -0.29 0.00 0.02 0.00 0.00 54.13 54.03 2q4s s LEU 7 Cb -0.16 -2.83 -0.01 0.00 0.02 0.00 0.00 46.19 43.22 2q4s s LEU 7 CO 0.11 -0.00 1.28 -0.75 0.02 0.00 0.00 176.35 177.01 2q4s s LYS 8 N -3.57 4.08 0.04 1.70 2.20 -1.26 -4.96 119.74 117.97 2q4s s LYS 8 Ca 0.34 1.47 -0.30 0.00 -0.36 0.00 0.00 55.97 57.11 2q4s s LYS 8 Cb -0.10 -3.82 -0.07 0.00 -1.51 0.00 0.00 37.83 32.33 2q4s s LYS 8 CO 0.28 -0.91 1.61 -2.14 -0.36 0.00 0.00 175.35 173.83 2q4s s PRO 9 N 3.83 4.21 0.00 4.03 0.02 -1.26 -4.85 135.00 140.98 2q4s s PRO 9 Ca 0.56 2.24 0.27 0.00 0.02 0.00 0.00 61.00 64.09 2q4s s PRO 9 Cb -0.19 -3.65 0.81 0.00 0.02 0.00 0.00 34.50 31.48 2q4s s PRO 9 CO 0.19 -0.72 1.60 0.54 -0.33 0.00 0.00 177.00 178.28 2q4s n ARG 10 N 5.79 1.66 -3.53 5.54 1.74 -1.26 -4.32 116.66 122.28 2q4s n ARG 10 Ca 0.16 -1.09 -0.11 0.00 -0.77 0.00 0.00 57.85 56.04 2q4s n ARG 10 Cb 0.41 -1.48 -0.03 0.00 -1.02 0.00 0.00 32.46 30.35 2q4s n ARG 10 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 2q4s s THR 11 N -2.09 0.03 0.35 0.55 -4.23 -1.26 -4.95 115.64 104.05 2q4s s THR 11 Ca 0.34 -0.28 0.03 0.00 -1.18 0.00 0.00 61.69 60.60 2q4s s THR 11 Cb 0.20 -1.11 0.23 0.00 1.34 0.00 0.00 72.50 73.16 2q4s s THR 11 CO 0.36 -0.12 1.97 0.25 -0.54 0.00 0.00 174.62 176.54 2q4s h LEU 12 N 2.15 0.63 -0.56 4.79 5.85 -1.91 -1.66 115.31 124.59 2q4s h LEU 12 Ca -0.33 -0.05 0.04 0.00 0.84 0.00 0.00 57.88 58.38 2q4s h LEU 12 Cb 1.29 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 42.11 2q4s h LEU 12 CO 0.41 0.52 0.31 0.00 -0.34 0.00 0.00 178.44 179.34 2q4s h ALA 13 N 1.58 0.72 -0.35 1.25 0.00 -1.96 -1.94 119.26 118.57 2q4s h ALA 13 Ca 0.18 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 2q4s h ALA 13 Cb 0.04 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 2q4s h ALA 13 CO -0.03 -0.00 0.08 -0.44 0.00 0.00 0.00 179.25 178.86 2q4s h ASP 14 N 0.61 0.53 -0.32 0.00 3.32 -1.76 -1.76 116.42 117.04 2q4s h ASP 14 Ca 0.24 -0.23 0.07 0.00 0.02 0.00 0.00 57.03 57.12 2q4s h ASP 14 Cb 0.09 -0.14 -0.07 0.00 0.22 0.00 0.00 39.33 39.44 2q4s h ASP 14 CO -0.14 0.62 -0.13 0.25 -1.72 0.00 0.00 179.24 178.13 2q4s h LEU 15 N 0.41 -0.44 -0.56 1.55 5.85 -0.99 -0.35 115.31 120.77 2q4s h LEU 15 Ca 0.11 0.11 -0.02 0.00 0.84 0.00 0.00 57.88 58.92 2q4s h LEU 15 Cb 0.30 0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.56 2q4s h LEU 15 CO 0.00 -0.16 0.27 0.40 -0.34 0.00 0.00 178.44 178.61 2q4s h ILE 16 N -0.07 1.20 -0.40 4.05 2.04 -1.16 -0.18 117.51 122.99 2q4s h ILE 16 Ca 0.16 -0.57 0.07 0.00 1.00 0.00 0.00 64.86 65.53 2q4s h ILE 16 Cb 0.32 0.54 -0.06 0.00 -0.74 0.00 0.00 36.82 36.88 2q4s h ILE 16 CO -0.37 0.23 0.02 -0.09 0.00 0.00 0.00 178.15 177.94 2q4s h ARG 17 N 0.76 0.13 -0.35 2.37 2.43 -0.80 -1.34 114.38 117.57 2q4s h ARG 17 Ca 0.19 -0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.32 2q4s h ARG 17 Cb 0.11 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.62 2q4s h ARG 17 CO -0.02 0.09 0.08 0.82 -1.51 0.00 0.00 179.97 179.42 2q4s h ILE 18 N 0.14 1.23 -0.72 1.20 2.04 -0.79 -2.65 117.51 117.96 2q4s h ILE 18 Ca 0.20 -0.77 0.11 0.00 1.00 0.00 0.00 64.86 65.40 2q4s h ILE 18 Cb 0.27 1.06 -0.05 0.00 -0.74 0.00 0.00 36.82 37.36 2q4s h ILE 18 CO -0.31 0.26 0.47 -0.07 0.00 0.00 0.00 178.15 178.51 2q4s h LEU 19 N 0.42 0.48 -1.83 1.44 3.38 -0.46 0.37 115.31 119.11 2q4s h LEU 19 Ca 0.11 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.07 2q4s h LEU 19 Cb 0.31 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 40.98 2q4s h LEU 19 CO 0.00 0.27 -0.14 0.45 0.09 0.00 0.00 178.44 179.11 2q4s h HIS 20 N 0.52 0.00 0.04 1.13 3.86 -0.89 -1.88 115.15 117.94 2q4s h HIS 20 Ca 0.34 0.00 -0.08 0.00 -1.16 0.00 0.00 60.37 59.47 2q4s h HIS 20 Cb 0.60 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.08 2q4s h HIS 20 CO -0.00 0.14 -0.36 0.93 0.86 0.00 0.00 177.93 179.51 2q4s h GLU 21 N 0.00 0.09 -0.39 2.45 5.08 -0.29 -2.90 114.58 118.63 2q4s h GLU 21 Ca -0.00 -0.16 0.11 0.00 -1.00 0.00 0.00 59.36 58.31 2q4s h GLU 21 Cb 0.33 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.62 2q4s h GLU 21 CO 0.02 1.08 0.32 -0.07 -1.00 0.00 0.00 179.01 179.36 2q4s h LEU 22 N -0.80 0.00 -3.03 1.33 3.38 -0.90 0.46 115.31 115.74 2q4s h LEU 22 Ca -0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.90 2q4s h LEU 22 Cb 1.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.98 2q4s h LEU 22 CO 0.03 0.00 0.00 0.49 0.09 0.00 0.00 178.44 179.05 2q4s n PHE 23 N -4.14 1.04 -0.05 1.13 3.72 -0.73 -4.54 117.46 113.90 2q4s n PHE 23 Ca 0.06 -0.61 0.01 0.00 -0.05 0.00 0.00 57.45 56.87 2q4s n PHE 23 Cb 0.50 -0.16 0.33 0.00 -0.94 0.00 0.00 39.48 39.22 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 3.18 1.51 -3.33 4.37 0.00 0.14 -3.44 119.26 121.70 2q4s h ALA 24 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2q4s h ALA 24 Cb 1.18 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.79 2q4s h ALA 24 CO 0.13 0.39 0.00 0.41 0.00 0.00 0.00 179.25 180.18 2q4s n GLY 25 N -1.22 0.58 0.02 0.00 0.00 -1.26 -5.04 105.19 98.27 2q4s n GLY 25 Ca 0.04 -1.89 0.11 0.00 0.00 0.00 0.00 46.02 44.27 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 -1.84 0.64 -4.79 1.61 8.00 -1.26 -4.94 116.55 113.97 2q4s n ASP 26 Ca 0.00 -0.37 -0.22 0.00 0.71 0.00 0.00 54.79 54.91 2q4s n ASP 26 Cb 0.00 0.85 -0.05 0.00 -0.02 0.00 0.00 41.12 41.90 2q4s n ASP 26 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2q4s s GLU 27 N -3.15 2.49 -0.18 -1.24 0.41 -1.26 -5.12 118.70 110.66 2q4s s GLU 27 Ca 0.05 -1.49 0.01 0.00 -0.41 0.00 0.00 54.97 53.13 2q4s s GLU 27 Cb 0.15 -2.28 0.02 0.00 -1.78 0.00 0.00 34.13 30.24 2q4s s GLU 27 CO 0.81 0.05 -0.19 0.08 -0.49 0.00 0.00 175.26 175.52 2q4s s VAL 28 N -2.41 1.98 -0.87 2.63 1.01 -1.26 -4.84 120.40 116.64 2q4s s VAL 28 Ca 0.40 -0.90 -0.22 0.00 0.00 0.00 0.00 61.98 61.27 2q4s s VAL 28 Cb -0.03 -1.80 0.08 0.00 0.00 0.00 0.00 36.38 34.63 2q4s s VAL 28 CO 0.25 0.52 1.22 0.21 0.00 0.00 0.00 175.10 177.29 2q4s s ASN 29 N 1.32 6.42 0.19 3.32 3.84 -1.26 -4.89 114.94 123.87 2q4s s ASN 29 Ca 0.05 -1.38 -0.12 0.00 0.21 0.00 0.00 52.86 51.61 2q4s s ASN 29 Cb -0.13 -2.48 0.17 0.00 -0.55 0.00 0.00 41.25 38.25 2q4s s ASN 29 CO -0.13 -1.41 1.78 0.58 -2.79 0.00 0.00 177.10 175.14 2q4s h VAL 30 N 6.20 0.92 -0.37 -5.21 2.07 -2.00 -2.14 116.25 115.72 2q4s h VAL 30 Ca 0.01 -0.17 -0.08 0.00 0.82 0.00 0.00 66.70 67.28 2q4s h VAL 30 Cb 1.03 0.39 -0.02 0.00 -1.52 0.00 0.00 31.29 31.18 2q4s h VAL 30 CO 1.25 0.09 -0.11 -0.33 0.02 0.00 0.00 177.57 178.49 2q4s h GLU 31 N 0.49 0.65 -0.32 1.57 4.39 -1.99 -1.28 114.58 118.09 2q4s h GLU 31 Ca 0.24 -0.20 -0.04 0.00 0.34 0.00 0.00 59.36 59.70 2q4s h GLU 31 Cb 0.18 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.76 2q4s h GLU 31 CO -0.19 0.75 0.05 0.93 -1.16 0.00 0.00 179.01 179.40 2q4s h GLU 32 N 0.60 0.53 -0.51 2.33 5.08 -1.88 -1.65 114.58 119.08 2q4s h GLU 32 Ca 0.11 -0.14 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 2q4s h GLU 32 Cb 0.54 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.71 2q4s h GLU 32 CO 0.03 0.62 0.25 0.28 -1.00 0.00 0.00 179.01 179.20 2q4s h VAL 33 N 0.36 1.19 -0.12 3.13 2.07 -1.18 -1.14 116.25 120.55 2q4s h VAL 33 Ca 0.10 -0.52 -0.06 0.00 0.82 0.00 0.00 66.70 67.04 2q4s h VAL 33 Cb 0.35 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 30.71 2q4s h VAL 33 CO 0.01 0.21 -0.18 -0.61 0.02 0.00 0.00 177.57 177.02 2q4s h GLN 34 N 0.67 0.20 -0.03 1.57 4.15 -1.18 0.65 115.11 121.15 2q4s h GLN 34 Ca 0.18 -0.05 -0.26 0.00 0.77 0.00 0.00 58.65 59.28 2q4s h GLN 34 Cb 0.10 -0.02 0.02 0.00 0.21 0.00 0.00 27.48 27.78 2q4s h GLN 34 CO -0.02 0.38 -1.00 0.00 -1.93 0.00 0.00 178.83 176.26 2q4s h ALA 35 N 1.63 0.17 0.08 3.38 0.00 -0.96 -2.07 119.26 121.49 2q4s h ALA 35 Ca 0.04 -0.68 -0.26 0.00 0.00 0.00 0.00 54.91 54.00 2q4s h ALA 35 Cb 0.43 0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.28 2q4s h ALA 35 CO 0.03 0.69 -1.14 -0.24 0.00 0.00 0.00 179.25 178.59 2q4s h VAL 36 N 0.42 1.40 -0.46 0.00 3.04 -1.02 0.13 116.25 119.76 2q4s h VAL 36 Ca -0.12 -2.67 -0.03 0.00 -1.01 0.00 0.00 66.70 62.87 2q4s h VAL 36 Cb 1.64 2.69 -0.02 0.00 -2.01 0.00 0.00 31.29 33.59 2q4s h VAL 36 CO 0.20 0.79 0.17 -0.07 -1.01 0.00 0.00 177.57 177.65 2q4s h LEU 37 N 0.18 0.64 -1.27 3.16 3.38 -0.97 -1.86 115.31 118.58 2q4s h LEU 37 Ca -0.13 -0.18 -0.08 0.00 0.09 0.00 0.00 57.88 57.58 2q4s h LEU 37 Cb 1.82 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 42.39 2q4s h LEU 37 CO 0.20 0.65 -0.36 -0.08 0.09 0.00 0.00 178.44 178.93 2q4s h GLU 38 N 0.60 0.00 0.00 1.13 4.81 -1.30 -2.95 114.58 116.87 2q4s h GLU 38 Ca 0.15 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.33 2q4s h GLU 38 Cb 0.21 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.58 2q4s h GLU 38 CO -0.01 0.36 -0.26 0.00 -0.73 0.00 0.00 179.01 178.37 2q4s h ALA 39 N 1.64 1.03 -2.45 2.92 0.00 0.05 -3.44 119.26 119.01 2q4s h ALA 39 Ca -0.00 -0.23 -0.54 0.00 0.00 0.00 0.00 54.91 54.14 2q4s h ALA 39 Cb 0.66 -0.04 0.02 0.00 0.00 0.00 0.00 17.79 18.43 2q4s h ALA 39 CO 0.05 0.32 0.90 -0.47 0.00 0.00 0.00 179.25 180.05 2q4s s TYR 40 N -3.67 2.73 -0.39 0.00 5.04 -0.87 -4.65 117.35 115.54 2q4s s TYR 40 Ca 0.00 0.60 -0.24 0.00 -2.44 0.00 0.00 57.07 54.99 2q4s s TYR 40 Cb 0.11 -3.82 0.02 0.00 0.35 0.00 0.00 41.96 38.61 2q4s s TYR 40 CO 0.65 -3.15 0.85 -2.00 -1.34 0.00 0.00 175.55 170.55 2q4s s GLU 41 N 2.23 3.71 -0.02 4.97 2.12 -1.26 -4.94 118.70 125.50 2q4s s GLU 41 Ca 0.69 0.33 -0.37 0.00 0.36 0.00 0.00 54.97 55.98 2q4s s GLU 41 Cb -0.37 -3.84 -0.15 0.00 0.26 0.00 0.00 34.13 30.03 2q4s s GLU 41 CO 0.30 -0.97 1.58 0.45 -0.54 0.00 0.00 175.26 176.08 2q4s n SER 42 N 6.68 2.41 -3.95 -1.70 2.88 -1.26 -4.93 113.62 113.75 2q4s n SER 42 Ca 0.05 1.08 -0.31 0.00 -1.33 0.00 0.00 58.87 58.36 2q4s n SER 42 Cb 0.48 -1.25 -0.15 0.00 -0.75 0.00 0.00 64.21 62.54 2q4s n SER 42 CO 0.00 0.00 0.00 0.21 -1.23 0.00 0.00 175.04 174.02 2q4s s ASN 43 N 1.95 4.43 0.56 -3.46 3.84 -1.26 -5.00 114.94 115.99 2q4s s ASN 43 Ca 0.88 -1.80 0.32 0.00 0.21 0.00 0.00 52.86 52.47 2q4s s ASN 43 Cb -0.89 -1.39 1.47 0.00 -0.55 0.00 0.00 41.25 39.89 2q4s s ASN 43 CO 0.51 -0.34 1.84 -0.65 -2.79 0.00 0.00 177.10 175.67 2q4s h PRO 44 N 7.78 0.00 -0.84 0.43 0.11 -1.92 -1.48 132.00 136.08 2q4s h PRO 44 Ca -0.10 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.99 2q4s h PRO 44 Cb 1.03 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.10 2q4s h PRO 44 CO 0.49 0.00 0.45 0.00 -0.21 0.00 0.00 178.00 178.72 2q4s h ALA 45 N 1.45 1.20 0.00 -0.75 0.00 -2.01 -0.77 119.26 118.38 2q4s h ALA 45 Ca 0.41 -0.13 -0.10 0.00 0.00 0.00 0.00 54.91 55.08 2q4s h ALA 45 Cb 1.76 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 19.20 2q4s h ALA 45 CO -0.00 0.64 -0.48 0.93 0.00 0.00 0.00 179.25 180.33 2q4s h GLU 46 N 1.19 0.00 -0.01 0.00 5.08 -1.71 -3.31 114.58 115.82 2q4s h GLU 46 Ca 0.30 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.66 2q4s h GLU 46 Cb 0.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.30 2q4s h GLU 46 CO -0.05 0.48 -0.00 -2.67 -1.00 0.00 0.00 179.01 175.77 2q4s n TRP 47 N -3.75 0.00 -0.33 4.33 4.27 -1.15 -4.64 117.44 116.17 2q4s n TRP 47 Ca -0.01 0.00 0.16 0.00 -3.89 0.00 0.00 57.50 53.76 2q4s n TRP 47 Cb 0.53 0.00 0.38 0.00 -1.36 0.00 0.00 31.31 30.87 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 1.74 1.85 -0.95 -1.67 0.00 -1.23 0.38 119.26 119.38 2q4s h ALA 48 Ca 0.00 0.07 0.17 0.00 0.00 0.00 0.00 54.91 55.15 2q4s h ALA 48 Cb 0.37 -0.05 -0.08 0.00 0.00 0.00 0.00 17.79 18.02 2q4s h ALA 48 CO 0.00 -0.22 0.60 1.25 0.00 0.00 0.00 179.25 180.88 2q4s h LEU 49 N 0.64 0.68 0.00 0.00 5.85 -1.82 -2.13 115.31 118.53 2q4s h LEU 49 Ca 0.57 0.06 0.00 0.00 0.84 0.00 0.00 57.88 59.35 2q4s h LEU 49 Cb 1.05 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.01 2q4s h LEU 49 CO -0.34 0.30 -0.64 -1.22 -0.34 0.00 0.00 178.44 176.21 2q4s n TYR 50 N -4.62 0.42 -2.51 1.25 4.01 0.10 -4.66 117.16 111.15 2q4s n TYR 50 Ca 0.20 0.12 -0.43 0.00 -0.16 0.00 0.00 57.90 57.63 2q4s n TYR 50 Cb 0.54 -0.56 0.00 0.00 -0.31 0.00 0.00 39.34 39.01 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 -1.76 4.24 -3.04 -0.72 0.00 -0.80 -4.77 120.51 113.66 2q4s n ALA 51 Ca 0.04 -4.04 -0.42 0.00 0.00 0.00 0.00 53.44 49.01 2q4s n ALA 51 Cb 0.42 -3.34 -0.09 0.00 0.00 0.00 0.00 19.45 16.44 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 2.72 2.81 0.35 0.00 1.02 -1.26 -5.02 119.74 120.36 2q4s s LYS 52 Ca 0.47 -1.37 -0.09 0.00 0.02 0.00 0.00 55.97 55.00 2q4s s LYS 52 Cb 0.04 -3.95 -0.06 0.00 -0.52 0.00 0.00 37.83 33.34 2q4s s LYS 52 CO 0.02 -0.97 0.68 -0.06 -0.92 0.00 0.00 175.35 174.10 2q4s s PHE 53 N 1.54 3.46 0.04 3.18 0.08 -1.26 -4.72 117.98 120.31 2q4s s PHE 53 Ca 0.03 0.90 0.07 0.00 0.12 0.00 0.00 56.93 58.06 2q4s s PHE 53 Cb -0.23 -2.32 -0.03 0.00 -0.57 0.00 0.00 43.02 39.88 2q4s s PHE 53 CO 0.05 0.03 -0.21 0.34 -0.10 0.00 0.00 175.22 175.33 2q4s s ASP 54 N -3.06 2.49 0.42 1.36 2.15 -1.26 -5.06 116.67 113.71 2q4s s ASP 54 Ca 0.49 -0.52 0.19 0.00 0.43 0.00 0.00 52.55 53.13 2q4s s ASP 54 Cb -0.10 -0.21 0.93 0.00 -0.30 0.00 0.00 42.92 43.24 2q4s s ASP 54 CO 0.29 0.16 1.88 -0.61 -0.17 0.00 0.00 175.17 176.72 2q4s h GLN 55 N 4.87 0.00 0.03 4.34 4.15 -2.00 -3.36 115.11 123.13 2q4s h GLN 55 Ca -0.43 0.00 -0.36 0.00 0.77 0.00 0.00 58.65 58.64 2q4s h GLN 55 Cb 1.16 0.00 -0.05 0.00 0.21 0.00 0.00 27.48 28.80 2q4s h GLN 55 CO 0.44 0.29 -2.19 0.66 -1.93 0.00 0.00 178.83 176.10 2q4s n TYR 56 N -3.82 0.49 -4.08 3.99 4.01 -1.26 -5.00 117.16 111.49 2q4s n TYR 56 Ca -0.01 0.14 -0.14 0.00 -0.16 0.00 0.00 57.90 57.72 2q4s n TYR 56 Cb 0.38 -1.08 -0.04 0.00 -0.31 0.00 0.00 39.34 38.29 2q4s n TYR 56 CO 0.00 0.00 0.00 -0.98 -0.46 0.00 0.00 176.86 175.42 2q4s s ARG 57 N -2.54 1.87 0.58 -0.72 1.70 -1.26 -4.99 118.95 113.59 2q4s s ARG 57 Ca -0.19 -1.71 -0.16 0.00 -0.47 0.00 0.00 55.73 53.20 2q4s s ARG 57 Cb 0.07 0.44 -0.04 0.00 -0.57 0.00 0.00 34.95 34.85 2q4s s ARG 57 CO 0.75 -0.77 1.04 1.52 -1.08 0.00 0.00 175.30 176.76 2q4s s TYR 58 N -3.15 3.11 0.17 5.89 -0.85 -1.26 -4.32 117.35 116.93 2q4s s TYR 58 Ca 0.30 1.49 0.08 0.00 -0.52 0.00 0.00 57.07 58.42 2q4s s TYR 58 Cb -0.00 -2.95 -0.04 0.00 0.38 0.00 0.00 41.96 39.35 2q4s s TYR 58 CO 0.19 -0.94 -0.06 0.95 -1.52 0.00 0.00 175.55 174.17 2q4s s THR 59 N -2.53 3.41 -0.22 -3.49 -4.23 -0.45 -4.93 115.64 103.20 2q4s s THR 59 Ca 0.62 -1.51 -0.02 0.00 -1.18 0.00 0.00 61.69 59.60 2q4s s THR 59 Cb -0.14 -2.69 0.00 0.00 1.34 0.00 0.00 72.50 71.01 2q4s s THR 59 CO 0.37 -0.07 -0.08 -0.13 -0.54 0.00 0.00 174.62 174.16 2q4s s ARG 60 N -2.77 3.19 -0.28 3.99 0.52 -1.26 -1.82 118.95 120.52 2q4s s ARG 60 Ca 0.25 -0.74 0.02 0.00 -0.52 0.00 0.00 55.73 54.74 2q4s s ARG 60 Cb -0.09 -2.91 0.08 0.00 0.52 0.00 0.00 34.95 32.54 2q4s s ARG 60 CO 0.16 -0.24 -0.01 -0.80 0.02 0.00 0.00 175.30 174.43 2q4s s ASN 61 N 1.41 4.25 0.18 0.23 0.01 -0.37 0.25 114.94 120.91 2q4s s ASN 61 Ca 0.05 -1.56 -0.31 0.00 -0.71 0.00 0.00 52.86 50.32 2q4s s ASN 61 Cb -0.14 -1.34 -0.09 0.00 0.41 0.00 0.00 41.25 40.09 2q4s s ASN 61 CO -0.06 -0.29 1.45 -0.22 -1.51 0.00 0.00 177.10 176.47 2q4s s LEU 62 N 1.23 4.38 -0.17 0.60 2.96 -0.07 -0.77 118.68 126.84 2q4s s LEU 62 Ca 0.00 2.53 -0.09 0.00 -0.22 0.00 0.00 54.13 56.36 2q4s s LEU 62 Cb -0.19 -3.60 -0.07 0.00 0.50 0.00 0.00 46.19 42.83 2q4s s LEU 62 CO -0.09 -0.71 -0.22 0.52 -1.32 0.00 0.00 176.35 174.53 2q4s n VAL 63 N 3.29 0.94 -4.03 1.68 0.31 0.79 -1.33 118.33 119.97 2q4s n VAL 63 Ca 0.10 -0.23 -0.17 0.00 -0.01 0.00 0.00 64.34 64.04 2q4s n VAL 63 Cb 0.40 -1.74 -0.16 0.00 -0.91 0.00 0.00 33.84 31.44 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 -6.51 0.54 0.00 4.52 2.15 -0.67 -4.70 116.67 112.01 2q4s s ASP 64 Ca -0.23 -0.06 0.30 0.00 0.43 0.00 0.00 52.55 52.98 2q4s s ASP 64 Cb 0.09 -0.22 1.44 0.00 -0.30 0.00 0.00 42.92 43.93 2q4s s ASP 64 CO 0.30 -0.04 1.98 0.00 -0.17 0.00 0.00 175.17 177.24 2q4s n GLN 65 N 3.75 0.71 -1.88 4.34 1.13 -1.26 -1.02 117.38 123.15 2q4s n GLN 65 Ca -0.22 -0.15 -0.19 0.00 -1.94 0.00 0.00 57.00 54.49 2q4s n GLN 65 Cb 0.53 -1.50 -0.05 0.00 0.11 0.00 0.00 30.24 29.33 2q4s n GLN 65 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2q4s n GLY 66 N 1.22 0.95 4.17 1.08 0.00 -1.09 -3.07 105.19 108.46 2q4s n GLY 66 Ca 0.16 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 2q4s n GLY 66 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2q4s n ASN 67 N -1.48 -3.18 -0.01 1.61 5.15 -1.26 -2.11 115.26 113.97 2q4s n ASN 67 Ca -0.21 -0.99 -0.00 0.00 -0.60 0.00 0.00 54.58 52.78 2q4s n ASN 67 Cb 0.65 -2.89 -0.00 0.00 -0.53 0.00 0.00 39.78 37.00 2q4s n ASN 67 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2q4s n GLY 68 N -1.49 0.47 0.01 8.20 0.00 -1.18 -4.89 105.19 106.32 2q4s n GLY 68 Ca 0.04 -0.13 0.01 0.00 0.00 0.00 0.00 46.02 45.93 2q4s n GLY 68 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2q4s n LYS 69 N -2.75 1.12 -3.51 1.61 4.76 -0.90 -4.87 118.16 113.61 2q4s n LYS 69 Ca -0.00 -0.03 -0.12 0.00 -2.87 0.00 0.00 58.31 55.28 2q4s n LYS 69 Cb 0.04 -1.10 -0.04 0.00 -1.84 0.00 0.00 35.03 32.08 2q4s n LYS 69 CO 0.00 0.00 0.00 -0.59 -1.37 0.00 0.00 177.40 175.44 2q4s s PHE 70 N -2.24 -0.48 -0.09 2.13 -0.12 -1.25 -4.28 117.98 111.65 2q4s s PHE 70 Ca -0.02 0.62 -0.01 0.00 -0.05 0.00 0.00 56.93 57.47 2q4s s PHE 70 Cb 0.02 0.48 -0.03 0.00 -0.63 0.00 0.00 43.02 42.86 2q4s s PHE 70 CO 0.18 -0.56 -0.02 -0.80 -0.05 0.00 0.00 175.22 173.96 2q4s s ASN 71 N -1.77 5.01 0.06 1.98 0.01 0.09 -2.66 114.94 117.65 2q4s s ASN 71 Ca -0.02 0.06 0.08 0.00 -0.71 0.00 0.00 52.86 52.27 2q4s s ASN 71 Cb -0.01 -1.42 -0.03 0.00 0.41 0.00 0.00 41.25 40.21 2q4s s ASN 71 CO -0.01 0.35 -0.23 -0.22 -1.51 0.00 0.00 177.10 175.47 2q4s s LEU 72 N -0.71 2.20 -0.13 0.60 2.96 -0.19 -0.72 118.68 122.69 2q4s s LEU 72 Ca 0.11 -0.59 -0.06 0.00 -0.22 0.00 0.00 54.13 53.37 2q4s s LEU 72 Cb -0.12 -1.09 0.06 0.00 0.50 0.00 0.00 46.19 45.55 2q4s s LEU 72 CO 0.02 0.18 0.29 -0.63 -1.32 0.00 0.00 176.35 174.89 2q4s s ILE 74 N -0.87 -0.22 -0.12 6.68 1.01 0.05 -0.15 121.20 127.58 2q4s s ILE 74 Ca 0.09 0.19 -0.06 0.00 0.00 0.00 0.00 60.65 60.88 2q4s s ILE 74 Cb -0.09 -0.46 -0.04 0.00 0.01 0.00 0.00 42.46 41.88 2q4s s ILE 74 CO 0.03 0.08 0.09 -0.76 0.00 0.00 0.00 174.94 174.38 2q4s s LEU 75 N 1.81 4.10 -0.21 2.97 1.02 0.20 -1.24 118.68 127.34 2q4s s LEU 75 Ca -0.05 0.33 -0.00 0.00 0.02 0.00 0.00 54.13 54.42 2q4s s LEU 75 Cb -0.11 -1.99 0.02 0.00 0.02 0.00 0.00 46.19 44.13 2q4s s LEU 75 CO -0.09 0.36 -0.13 0.00 0.02 0.00 0.00 176.35 176.50 2q4s s TRP 77 N 1.32 3.44 1.31 0.00 0.52 -0.71 -1.35 118.94 123.48 2q4s s TRP 77 Ca 0.03 -2.18 -0.18 0.00 0.02 0.00 0.00 56.10 53.79 2q4s s TRP 77 Cb -0.14 -2.66 0.33 0.00 -1.15 0.00 0.00 33.47 29.85 2q4s s TRP 77 CO -0.09 -0.88 0.97 0.20 0.02 0.00 0.00 176.95 177.17 2q4s s GLY 78 N 1.48 1.47 0.22 0.98 0.00 -1.26 -1.78 107.32 108.42 2q4s s GLY 78 Ca 0.02 -0.53 -0.32 0.00 0.00 0.00 0.00 44.72 43.89 2q4s s GLY 78 CO -0.03 0.36 1.63 1.18 0.00 0.00 0.00 173.10 176.23 2q4s n GLU 79 N -5.32 2.54 -0.30 2.90 4.71 -1.26 -1.63 120.64 122.28 2q4s n GLU 79 Ca 0.08 0.91 0.00 0.00 -0.01 0.00 0.00 57.16 58.14 2q4s n GLU 79 Cb 0.58 -2.71 0.00 0.00 -1.01 0.00 0.00 31.44 28.30 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 3.22 2.40 3.76 0.62 0.00 -0.79 -5.00 105.19 109.40 2q4s n GLY 80 Ca 0.14 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.77 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 -3.29 3.66 0.36 1.61 3.76 -0.64 -4.70 115.29 116.04 2q4s s HIS 81 Ca 0.00 1.77 -0.10 0.00 -0.15 0.00 0.00 55.06 56.58 2q4s s HIS 81 Cb 0.00 -3.09 0.03 0.00 1.11 0.00 0.00 32.58 30.62 2q4s s HIS 81 CO 0.00 -0.12 0.63 0.20 -0.85 0.00 0.00 174.74 174.60 2q4s s GLY 82 N -1.24 0.89 0.54 -2.22 0.00 -1.26 0.10 107.32 104.13 2q4s s GLY 82 Ca 0.47 -1.10 0.08 0.00 0.00 0.00 0.00 44.72 44.17 2q4s s GLY 82 CO 0.32 -0.64 0.60 -1.35 0.00 0.00 0.00 173.10 172.04 2q4s s SER 83 N -3.14 4.95 0.89 1.64 1.04 0.14 -4.79 113.70 114.43 2q4s s SER 83 Ca 0.23 -0.96 -0.11 0.00 0.48 0.00 0.00 55.95 55.58 2q4s s SER 83 Cb -0.03 0.22 0.18 0.00 0.10 0.00 0.00 66.02 66.49 2q4s s SER 83 CO 0.15 -1.16 1.22 -0.44 0.98 0.00 0.00 173.24 173.99 2q4s s SER 84 N -4.46 3.48 -0.00 7.02 0.01 -1.26 -4.55 113.70 113.93 2q4s s SER 84 Ca 0.50 0.02 -0.28 0.00 1.31 0.00 0.00 55.95 57.50 2q4s s SER 84 Cb -0.04 -0.15 -0.04 0.00 0.21 0.00 0.00 66.02 66.00 2q4s s SER 84 CO 0.31 -2.47 0.90 -0.63 0.41 0.00 0.00 173.24 171.76 2q4s s ILE 85 N -3.65 4.87 0.17 1.44 1.01 -1.25 -4.21 121.20 119.59 2q4s s ILE 85 Ca 0.72 1.89 -0.11 0.00 0.00 0.00 0.00 60.65 63.14 2q4s s ILE 85 Cb -0.04 -4.24 0.00 0.00 0.01 0.00 0.00 42.46 38.19 2q4s s ILE 85 CO 0.50 0.21 0.35 -1.38 0.00 0.00 0.00 174.94 174.62 2q4s s HIS 86 N 0.81 0.25 0.36 3.97 -3.43 0.18 -1.46 115.29 115.97 2q4s s HIS 86 Ca 0.47 -0.61 0.05 0.00 -0.80 0.00 0.00 55.06 54.17 2q4s s HIS 86 Cb -0.20 0.07 0.05 0.00 -1.43 0.00 0.00 32.58 31.07 2q4s s HIS 86 CO 0.26 -0.78 0.43 -0.40 -2.00 0.00 0.00 174.74 172.25 2q4s n ASP 87 N -0.25 1.55 -0.92 7.38 5.68 -1.12 -2.39 116.55 126.49 2q4s n ASP 87 Ca -0.08 -2.03 0.05 0.00 -0.50 0.00 0.00 54.79 52.23 2q4s n ASP 87 Cb 0.63 -0.20 0.10 0.00 -1.14 0.00 0.00 41.12 40.51 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 -1.65 0.00 -3.80 2.11 8.25 -1.26 -4.59 115.22 114.28 2q4s n HIS 88 Ca 0.07 -0.85 -0.24 0.00 -0.26 0.00 0.00 57.72 56.44 2q4s n HIS 88 Cb 0.38 -0.17 0.01 0.00 1.12 0.00 0.00 29.99 31.33 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 -0.33 -4.07 -1.95 1.59 -1.04 -1.26 -1.34 114.28 105.87 2q4s n THR 89 Ca 0.11 -0.55 -0.17 0.00 -2.04 0.00 0.00 64.05 61.40 2q4s n THR 89 Cb 0.88 -3.40 -0.04 0.00 -1.82 0.00 0.00 70.33 65.95 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 -3.00 -4.70 -4.60 8.00 8.00 -1.26 -4.95 116.55 114.04 2q4s n ASP 90 Ca -0.28 0.25 -0.23 0.00 0.71 0.00 0.00 54.79 55.23 2q4s n ASP 90 Cb 0.67 -4.10 -0.08 0.00 -0.02 0.00 0.00 41.12 37.60 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 -2.24 4.23 0.04 -2.24 0.01 -0.45 -4.80 113.70 108.26 2q4s s SER 91 Ca 0.00 -0.80 -0.29 0.00 1.31 0.00 0.00 55.95 56.17 2q4s s SER 91 Cb 0.00 -0.65 -0.04 0.00 0.21 0.00 0.00 66.02 65.54 2q4s s SER 91 CO 0.00 -0.02 0.94 -1.00 0.41 0.00 0.00 173.24 173.57 2q4s s HIS 92 N -2.40 3.72 -0.11 2.43 3.76 -0.14 -4.52 115.29 118.03 2q4s s HIS 92 Ca 0.32 1.70 0.02 0.00 -0.15 0.00 0.00 55.06 56.94 2q4s s HIS 92 Cb -0.05 -3.06 0.02 0.00 1.11 0.00 0.00 32.58 30.60 2q4s s HIS 92 CO 0.19 0.10 -0.14 0.00 -0.85 0.00 0.00 174.74 174.03 2q4s s PHE 94 N 1.04 2.52 -0.26 0.00 0.08 -0.77 -1.42 117.98 119.17 2q4s s PHE 94 Ca -0.06 -0.36 -0.00 0.00 0.12 0.00 0.00 56.93 56.63 2q4s s PHE 94 Cb -0.15 -1.58 0.08 0.00 -0.57 0.00 0.00 43.02 40.80 2q4s s PHE 94 CO -0.02 0.03 0.02 -1.17 -0.10 0.00 0.00 175.22 173.98 2q4s s LEU 95 N -0.58 2.35 -0.21 -0.37 0.20 -0.15 -1.95 118.68 117.97 2q4s s LEU 95 Ca 0.08 -1.32 -0.06 0.00 0.69 0.00 0.00 54.13 53.52 2q4s s LEU 95 Cb -0.11 -0.99 -0.03 0.00 -0.43 0.00 0.00 46.19 44.63 2q4s s LEU 95 CO 0.00 -0.32 0.04 -0.75 -0.29 0.00 0.00 176.35 175.03 2q4s s LYS 96 N 1.52 3.71 -0.06 1.98 2.20 0.67 -0.85 119.74 128.92 2q4s s LYS 96 Ca 0.02 -0.47 -0.30 0.00 -0.36 0.00 0.00 55.97 54.86 2q4s s LYS 96 Cb -0.18 -3.20 -0.03 0.00 -1.51 0.00 0.00 37.83 32.91 2q4s s LYS 96 CO -0.12 -0.01 1.16 -0.51 -0.36 0.00 0.00 175.35 175.51 2q4s s LEU 97 N 1.10 4.28 -0.09 5.43 2.01 -0.55 -0.19 118.68 130.67 2q4s s LEU 97 Ca 0.03 1.77 0.20 0.00 0.01 0.00 0.00 54.13 56.15 2q4s s LEU 97 Cb -0.14 -3.56 -0.30 0.00 0.01 0.00 0.00 46.19 42.20 2q4s s LEU 97 CO 0.03 -0.55 0.32 0.18 1.01 0.00 0.00 176.35 177.34 2q4s n LEU 98 N 5.06 0.00 -3.64 1.79 4.77 0.19 0.10 117.00 125.27 2q4s n LEU 98 Ca 0.10 0.00 -0.03 0.00 -0.03 0.00 0.00 56.01 56.06 2q4s n LEU 98 Cb 0.47 0.18 -0.05 0.00 -2.33 0.00 0.00 43.42 41.68 2q4s n LEU 98 CO 0.55 0.18 0.31 -1.58 -1.33 0.00 0.00 177.39 175.51 2q4s s GLN 99 N -3.10 0.60 0.93 3.23 0.74 -0.74 -4.83 119.66 116.49 2q4s s GLN 99 Ca -0.08 1.35 0.00 0.00 0.05 0.00 0.00 55.36 56.68 2q4s s GLN 99 Cb 0.11 0.64 0.00 0.00 1.10 0.00 0.00 33.01 34.86 2q4s s GLN 99 CO 0.85 -0.18 0.00 0.41 -0.55 0.00 0.00 175.29 175.82 2q4s n GLY 100 N 5.08 -1.74 3.13 2.59 0.00 -1.26 -0.61 105.19 112.39 2q4s n GLY 100 Ca -0.14 -1.67 -0.09 0.00 0.00 0.00 0.00 46.02 44.12 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 0.84 0.03 1.61 0.01 -1.26 -2.69 114.94 109.48 2q4s s ASN 101 Ca 0.00 -0.99 0.02 0.00 -0.71 0.00 0.00 52.86 51.18 2q4s s ASN 101 Cb 0.00 0.14 -0.02 0.00 0.41 0.00 0.00 41.25 41.78 2q4s s ASN 101 CO 0.00 -0.51 -0.07 -0.76 -1.51 0.00 0.00 177.10 174.25 2q4s s LEU 102 N -2.94 2.21 -0.18 0.60 1.43 -0.83 -4.71 118.68 114.27 2q4s s LEU 102 Ca 0.09 -0.45 -0.18 0.00 -1.03 0.00 0.00 54.13 52.56 2q4s s LEU 102 Cb 0.06 -0.16 -0.04 0.00 0.03 0.00 0.00 46.19 46.08 2q4s s LEU 102 CO -0.07 -0.16 0.49 -0.75 0.23 0.00 0.00 176.35 176.09 2q4s s LYS 103 N -1.28 4.23 -0.18 1.70 2.20 0.26 -1.75 119.74 124.92 2q4s s LYS 103 Ca -0.08 0.39 -0.01 0.00 -0.36 0.00 0.00 55.97 55.91 2q4s s LYS 103 Cb -0.08 -3.52 0.00 0.00 -1.51 0.00 0.00 37.83 32.72 2q4s s LYS 103 CO 0.00 -0.04 -0.12 -2.00 -0.36 0.00 0.00 175.35 172.83 2q4s s GLU 104 N 1.27 3.22 -0.14 4.03 2.12 -0.61 -0.14 118.70 128.45 2q4s s GLU 104 Ca 0.24 -0.72 -0.01 0.00 0.36 0.00 0.00 54.97 54.83 2q4s s GLU 104 Cb -0.15 -2.75 -0.02 0.00 0.26 0.00 0.00 34.13 31.47 2q4s s GLU 104 CO 0.09 -0.11 -0.11 0.99 -0.54 0.00 0.00 175.26 175.59 2q4s s THR 105 N 1.16 3.23 -0.03 -1.70 2.01 0.59 -2.16 115.64 118.75 2q4s s THR 105 Ca 0.01 -0.59 -0.14 0.00 0.31 0.00 0.00 61.69 61.29 2q4s s THR 105 Cb -0.14 -2.38 -0.05 0.00 0.01 0.00 0.00 72.50 69.93 2q4s s THR 105 CO -0.05 0.51 0.37 -0.76 -0.69 0.00 0.00 174.62 174.00 2q4s s LEU 106 N 0.45 4.45 0.10 4.42 1.43 -0.28 -1.13 118.68 128.12 2q4s s LEU 106 Ca -0.08 0.87 0.07 0.00 -1.03 0.00 0.00 54.13 53.96 2q4s s LEU 106 Cb -0.15 -2.50 -0.03 0.00 0.03 0.00 0.00 46.19 43.53 2q4s s LEU 106 CO 0.04 0.32 -0.17 -0.36 0.23 0.00 0.00 176.35 176.41 2q4s s PHE 107 N -0.96 1.54 0.41 0.29 0.08 0.12 -1.12 117.98 118.34 2q4s s PHE 107 Ca 0.22 -0.46 -0.16 0.00 0.12 0.00 0.00 56.93 56.65 2q4s s PHE 107 Cb -0.16 -0.84 -0.09 0.00 -0.57 0.00 0.00 43.02 41.37 2q4s s PHE 107 CO 0.12 0.16 0.86 -0.51 -0.10 0.00 0.00 175.22 175.75 2q4s s ASP 108 N -2.01 6.75 0.13 1.36 1.01 -1.26 -0.74 116.67 121.90 2q4s s ASP 108 Ca 0.05 1.44 -0.31 0.00 0.71 0.00 0.00 52.55 54.44 2q4s s ASP 108 Cb -0.09 -2.45 -0.10 0.00 1.01 0.00 0.00 42.92 41.30 2q4s s ASP 108 CO 0.04 -0.37 1.63 0.26 0.21 0.00 0.00 175.17 176.93 2q4s s TRP 109 N -2.26 2.75 0.00 4.23 0.52 -1.26 -4.80 118.94 118.12 2q4s s TRP 109 Ca 0.57 0.44 0.00 0.00 0.02 0.00 0.00 56.10 57.14 2q4s s TRP 109 Cb -0.10 -3.97 0.00 0.00 -1.15 0.00 0.00 33.47 28.25 2q4s s TRP 109 CO 0.22 -3.76 0.00 -2.30 0.02 0.00 0.00 176.95 171.13 2q4s n PRO 110 N 4.70 -1.06 -2.88 4.98 -0.02 -1.26 -5.10 135.00 134.36 2q4s n PRO 110 Ca 0.15 0.00 -0.10 0.00 -2.02 0.00 0.00 63.50 61.53 2q4s n PRO 110 Cb 0.39 0.00 -0.02 0.00 -0.02 0.00 0.00 33.50 33.85 2q4s n PRO 110 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2q4s n ASP 111 N -2.42 1.83 0.04 2.55 8.00 -1.26 -5.01 116.55 120.28 2q4s n ASP 111 Ca 0.00 -1.76 0.13 0.00 0.71 0.00 0.00 54.79 53.87 2q4s n ASP 111 Cb 0.00 0.23 0.49 0.00 -0.02 0.00 0.00 41.12 41.82 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 -0.38 0.11 -0.36 -1.24 4.76 -1.26 -4.83 118.16 114.96 2q4s n LYS 112 Ca -0.05 0.08 -0.06 0.00 -2.87 0.00 0.00 58.31 55.41 2q4s n LYS 112 Cb 0.22 -1.62 0.04 0.00 -1.84 0.00 0.00 35.03 31.83 2q4s n LYS 112 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2q4s n LYS 113 N -1.81 -0.39 -4.05 1.97 4.76 -1.26 -5.06 118.16 112.32 2q4s n LYS 113 Ca 0.06 -0.41 -0.32 0.00 -2.87 0.00 0.00 58.31 54.78 2q4s n LYS 113 Cb 0.38 -0.28 -0.15 0.00 -1.84 0.00 0.00 35.03 33.13 2q4s n LYS 113 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 2q4s s SER 114 N -1.99 3.88 0.00 4.39 0.15 -1.26 -4.80 113.70 114.06 2q4s s SER 114 Ca 0.15 -1.11 -0.10 0.00 0.70 0.00 0.00 55.95 55.59 2q4s s SER 114 Cb -0.01 -1.43 0.01 0.00 -1.71 0.00 0.00 66.02 62.88 2q4s s SER 114 CO 0.11 -0.14 0.21 0.20 1.20 0.00 0.00 173.24 174.81 2q4s s ASN 115 N 1.23 -0.05 0.00 5.45 0.01 -1.23 -5.00 114.94 115.35 2q4s s ASN 115 Ca -0.04 -0.12 0.00 0.00 -0.71 0.00 0.00 52.86 51.99 2q4s s ASN 115 Cb -0.18 0.26 0.00 0.00 0.41 0.00 0.00 41.25 41.74 2q4s s ASN 115 CO -0.08 -0.43 0.00 1.21 -1.51 0.00 0.00 177.10 176.30 2q4s n GLU 116 N 1.27 3.22 -3.64 -0.60 4.07 -1.25 -3.70 120.64 120.00 2q4s n GLU 116 Ca -0.22 0.00 -0.05 0.00 -0.06 0.00 0.00 57.16 56.83 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 0.42 6.31 -1.09 -1.26 -5.00 121.20 120.59 2q4s s ILE 118 Ca 0.00 0.00 -0.26 0.00 -2.23 0.00 0.00 60.65 58.16 2q4s s ILE 118 Cb 0.00 -1.00 -0.09 0.00 -1.58 0.00 0.00 42.46 39.79 2q4s s ILE 118 CO 0.00 0.00 1.42 2.29 -1.23 0.00 0.00 174.94 177.42 2q4s n LYS 119 N 2.63 2.32 0.04 2.79 2.85 -1.26 -4.64 118.16 122.89 2q4s n LYS 119 Ca -0.14 0.82 0.02 0.00 -1.05 0.00 0.00 58.31 57.96 2q4s n LYS 119 Cb 0.57 -2.60 -0.07 0.00 -0.65 0.00 0.00 35.03 32.28 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 0.03 0.62 0.00 -1.58 2.85 -0.28 -5.02 118.16 114.78 2q4s n LYS 120 Ca 0.04 0.19 0.00 0.00 -1.05 0.00 0.00 58.31 57.49 2q4s n LYS 120 Cb 0.40 -1.80 0.00 0.00 -0.65 0.00 0.00 35.03 32.98 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 -2.83 0.00 -4.07 -5.58 3.41 -1.25 -5.02 113.62 98.28 2q4s n SER 121 Ca -0.08 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.40 2q4s n SER 121 Cb 0.79 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.65 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 1.32 0.00 4.33 -1.05 -1.26 -1.13 118.70 118.91 2q4s s GLU 122 Ca 0.00 -1.61 -0.29 0.00 -0.15 0.00 0.00 54.97 52.92 2q4s s GLU 122 Cb 0.00 0.31 0.10 0.00 -0.44 0.00 0.00 34.13 34.10 2q4s s GLU 122 CO 0.00 -0.46 0.96 -0.98 0.95 0.00 0.00 175.26 175.73 2q4s s ARG 123 N -4.05 0.81 -0.26 -4.83 1.70 -0.92 -5.00 118.95 106.40 2q4s s ARG 123 Ca 0.36 -0.34 -0.09 0.00 -0.47 0.00 0.00 55.73 55.19 2q4s s ARG 123 Cb 0.05 0.34 -0.04 0.00 -0.57 0.00 0.00 34.95 34.74 2q4s s ARG 123 CO 0.13 -0.36 0.13 0.99 -1.08 0.00 0.00 175.30 175.11 2q4s s THR 124 N -3.03 4.84 -0.20 4.99 2.01 -1.26 -1.57 115.64 121.42 2q4s s THR 124 Ca 0.07 0.01 -0.18 0.00 0.31 0.00 0.00 61.69 61.90 2q4s s THR 124 Cb -0.01 -3.28 -0.03 0.00 0.01 0.00 0.00 72.50 69.19 2q4s s THR 124 CO -0.06 0.31 0.50 -0.76 -0.69 0.00 0.00 174.62 173.92 2q4s s LEU 125 N 1.57 4.15 0.31 4.42 1.43 -0.71 -4.95 118.68 124.89 2q4s s LEU 125 Ca 0.06 0.66 0.07 0.00 -1.03 0.00 0.00 54.13 53.89 2q4s s LEU 125 Cb -0.15 -2.68 -0.03 0.00 0.03 0.00 0.00 46.19 43.36 2q4s s LEU 125 CO 0.07 -0.16 0.29 -0.13 0.23 0.00 0.00 176.35 176.65 2q4s s ARG 126 N 1.56 2.85 0.15 1.70 0.52 -1.26 -1.96 118.95 122.50 2q4s s ARG 126 Ca 0.23 -1.18 -0.33 0.00 -0.52 0.00 0.00 55.73 53.94 2q4s s ARG 126 Cb -0.15 -2.55 -0.17 0.00 0.52 0.00 0.00 34.95 32.60 2q4s s ARG 126 CO 0.09 0.19 0.97 0.39 0.02 0.00 0.00 175.30 176.96 2q4s n GLU 127 N -1.35 0.62 0.00 3.54 1.02 -1.10 -1.53 120.64 121.85 2q4s n GLU 127 Ca -0.04 0.22 0.00 0.00 -0.02 0.00 0.00 57.16 57.33 2q4s n GLU 127 Cb 0.59 -1.58 0.00 0.00 -0.02 0.00 0.00 31.44 30.43 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 1.84 0.00 -4.75 1.62 3.02 0.11 -4.95 115.26 112.16 2q4s n ASN 128 Ca 0.16 0.00 -0.34 0.00 -0.03 0.00 0.00 54.58 54.37 2q4s n ASN 128 Cb 0.22 -0.19 0.05 0.00 -0.61 0.00 0.00 39.78 39.24 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 2.73 -0.17 3.52 0.74 -0.58 -4.37 119.66 121.52 2q4s s GLN 129 Ca 0.00 1.63 0.00 0.00 0.05 0.00 0.00 55.36 57.04 2q4s s GLN 129 Cb 0.00 -1.92 0.03 0.00 1.10 0.00 0.00 33.01 32.22 2q4s s GLN 129 CO 0.00 -1.35 -0.11 0.00 -0.55 0.00 0.00 175.29 173.28 2q4s s ALA 131 N 1.47 3.94 0.01 0.00 0.00 -0.03 -4.91 121.76 122.25 2q4s s ALA 131 Ca 0.01 -1.20 0.02 0.00 0.00 0.00 0.00 51.96 50.79 2q4s s ALA 131 Cb -0.15 -1.86 -0.01 0.00 0.00 0.00 0.00 23.12 21.10 2q4s s ALA 131 CO -0.09 0.01 -0.07 -0.47 0.00 0.00 0.00 175.76 175.14 2q4s s TYR 132 N -2.19 0.61 0.00 0.00 6.14 -1.26 -0.98 117.35 119.67 2q4s s TYR 132 Ca 0.41 -0.23 -0.12 0.00 0.64 0.00 0.00 57.07 57.77 2q4s s TYR 132 Cb -0.09 -0.38 0.01 0.00 0.42 0.00 0.00 41.96 41.92 2q4s s TYR 132 CO 0.32 -0.03 0.24 -1.50 0.64 0.00 0.00 175.55 175.23 2q4s s ILE 133 N -0.53 0.07 0.27 3.14 2.07 -0.51 -5.03 121.20 120.68 2q4s s ILE 133 Ca -0.01 -0.61 -0.07 0.00 -1.41 0.00 0.00 60.65 58.55 2q4s s ILE 133 Cb -0.05 -0.63 -0.01 0.00 0.13 0.00 0.00 42.46 41.91 2q4s s ILE 133 CO 0.00 -0.34 0.40 0.54 -1.91 0.00 0.00 174.94 173.64 2q4s s ASN 134 N -1.51 0.29 0.43 4.50 2.20 -1.26 -1.95 114.94 117.64 2q4s s ASN 134 Ca -0.12 -1.21 0.18 0.00 -0.94 0.00 0.00 52.86 50.77 2q4s s ASN 134 Cb -0.05 0.57 1.00 0.00 -2.00 0.00 0.00 41.25 40.77 2q4s s ASN 134 CO 0.02 -1.13 1.92 0.44 -2.94 0.00 0.00 177.10 175.41 2q4s h ASP 135 N 2.28 0.00 0.43 3.54 3.32 -1.79 -1.95 116.42 122.25 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 0.25 0.00 -1.20 -1.72 0.00 0.00 179.24 176.98 2q4s n SER 136 N -3.93 0.00 -0.10 6.45 7.64 -1.26 -2.67 113.62 119.75 2q4s n SER 136 Ca -0.02 0.03 -0.10 0.00 1.01 0.00 0.00 58.87 59.79 2q4s n SER 136 Cb 0.33 -0.31 -0.15 0.00 -1.01 0.00 0.00 64.21 63.08 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 -1.31 1.34 0.00 0.44 5.41 -0.75 -5.11 119.36 119.37 2q4s n ILE 137 Ca 0.10 -0.81 0.00 0.00 1.00 0.00 0.00 62.75 63.04 2q4s n ILE 137 Cb 0.18 -0.53 0.00 0.00 -0.71 0.00 0.00 39.64 38.58 2q4s n ILE 137 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2q4s n GLY 138 N 1.83 0.98 3.90 7.39 0.00 -1.09 -5.00 105.19 113.20 2q4s n GLY 138 Ca -0.32 -1.92 -0.20 0.00 0.00 0.00 0.00 46.02 43.58 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 3.47 0.15 0.99 1.43 0.08 -4.45 118.68 120.35 2q4s s LEU 139 Ca 0.00 -0.65 -0.24 0.00 -1.03 0.00 0.00 54.13 52.21 2q4s s LEU 139 Cb 0.00 -2.20 0.07 0.00 0.03 0.00 0.00 46.19 44.09 2q4s s LEU 139 CO 0.00 -0.65 0.68 -1.38 0.23 0.00 0.00 176.35 175.23 2q4s s HIS 140 N -2.43 -0.45 -0.05 0.29 -3.43 -1.00 -0.70 115.29 107.52 2q4s s HIS 140 Ca 0.49 0.21 0.06 0.00 -0.80 0.00 0.00 55.06 55.02 2q4s s HIS 140 Cb -0.05 0.58 -0.01 0.00 -1.43 0.00 0.00 32.58 31.67 2q4s s HIS 140 CO 0.29 -0.85 -0.24 0.50 -2.00 0.00 0.00 174.74 172.44 2q4s s ARG 141 N -3.65 2.30 -0.08 -0.38 3.52 -0.28 0.49 118.95 120.86 2q4s s ARG 141 Ca 0.03 -0.85 0.05 0.00 -0.13 0.00 0.00 55.73 54.83 2q4s s ARG 141 Cb -0.02 -2.01 -0.01 0.00 -1.56 0.00 0.00 34.95 31.36 2q4s s ARG 141 CO -0.09 0.40 -0.24 0.08 -0.81 0.00 0.00 175.30 174.63 2q4s s VAL 142 N -0.23 2.11 -0.01 7.11 1.01 -1.26 -0.30 120.40 128.84 2q4s s VAL 142 Ca -0.01 -1.03 -0.02 0.00 0.00 0.00 0.00 61.98 60.93 2q4s s VAL 142 Cb -0.12 -1.78 -0.00 0.00 0.00 0.00 0.00 36.38 34.47 2q4s s VAL 142 CO 0.02 0.56 0.05 -1.61 0.00 0.00 0.00 175.10 174.13 2q4s s GLU 143 N 0.05 0.18 -0.57 2.72 2.02 0.80 0.28 118.70 124.17 2q4s s GLU 143 Ca -0.10 -0.14 -0.19 0.00 0.02 0.00 0.00 54.97 54.56 2q4s s GLU 143 Cb -0.15 0.07 0.09 0.00 0.10 0.00 0.00 34.13 34.23 2q4s s GLU 143 CO 0.06 -0.03 0.70 1.21 0.02 0.00 0.00 175.26 177.21 2q4s s ASN 144 N -0.50 6.20 0.00 -0.19 2.47 0.29 0.90 114.94 124.10 2q4s s ASN 144 Ca -0.06 -1.22 0.29 0.00 0.42 0.00 0.00 52.86 52.29 2q4s s ASN 144 Cb -0.04 -2.31 1.22 0.00 -1.45 0.00 0.00 41.25 38.68 2q4s s ASN 144 CO 0.00 -1.06 1.84 1.33 -3.72 0.00 0.00 177.10 175.49 2q4s n VAL 145 N 5.60 0.00 -1.98 -5.21 0.24 -1.26 -1.89 118.33 113.84 2q4s n VAL 145 Ca -0.08 -0.12 -0.41 0.00 -2.04 0.00 0.00 64.34 61.69 2q4s n VAL 145 Cb 0.44 0.10 -0.02 0.00 -1.47 0.00 0.00 33.84 32.88 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 -2.25 6.60 0.04 -1.34 0.15 -1.26 -4.68 113.70 110.97 2q4s s SER 146 Ca 0.34 2.74 0.24 0.00 0.70 0.00 0.00 55.95 59.97 2q4s s SER 146 Cb 0.21 -2.63 0.29 0.00 -1.71 0.00 0.00 66.02 62.17 2q4s s SER 146 CO 0.42 -0.72 1.25 1.41 1.20 0.00 0.00 173.24 176.80 2q4s n HIS 147 N 1.97 0.18 -0.08 3.44 8.25 -1.26 -2.22 115.22 125.50 2q4s n HIS 147 Ca 0.06 0.05 0.00 0.00 -0.26 0.00 0.00 57.72 57.57 2q4s n HIS 147 Cb 0.40 -0.36 0.00 0.00 1.12 0.00 0.00 29.99 31.15 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 -1.74 0.00 -4.86 1.59 -2.24 -1.26 -4.93 114.28 100.85 2q4s n THR 148 Ca 0.04 -0.28 -0.28 0.00 -2.27 0.00 0.00 64.05 61.26 2q4s n THR 148 Cb 0.38 1.08 -0.17 0.00 -2.10 0.00 0.00 70.33 69.53 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 -0.46 2.21 0.59 -0.78 0.41 -1.26 -5.04 118.70 114.37 2q4s s GLU 149 Ca 0.00 -0.61 -0.14 0.00 -0.41 0.00 0.00 54.97 53.81 2q4s s GLU 149 Cb 0.00 -1.76 -0.04 0.00 -1.78 0.00 0.00 34.13 30.55 2q4s s GLU 149 CO 0.00 0.12 1.02 -1.25 -0.49 0.00 0.00 175.26 174.66 2q4s s PRO 150 N 0.45 3.56 0.20 0.39 0.04 -1.26 -4.52 135.00 133.86 2q4s s PRO 150 Ca -0.15 0.94 0.10 0.00 0.04 0.00 0.00 61.00 61.94 2q4s s PRO 150 Cb -0.16 -2.08 -0.04 0.00 0.04 0.00 0.00 34.50 32.26 2q4s s PRO 150 CO 0.05 -0.60 -0.14 0.00 0.04 0.00 0.00 177.00 176.35 2q4s s ALA 151 N -2.82 2.82 -0.04 8.56 0.00 -0.74 -4.44 121.76 125.09 2q4s s ALA 151 Ca 0.58 -1.59 -0.01 0.00 0.00 0.00 0.00 51.96 50.95 2q4s s ALA 151 Cb -0.12 -0.56 0.03 0.00 0.00 0.00 0.00 23.12 22.47 2q4s s ALA 151 CO 0.43 0.42 0.03 0.08 0.00 0.00 0.00 175.76 176.71 2q4s s VAL 152 N -1.84 0.08 0.03 0.00 1.01 0.22 -1.74 120.40 118.15 2q4s s VAL 152 Ca 0.25 0.25 0.06 0.00 0.00 0.00 0.00 61.98 62.54 2q4s s VAL 152 Cb -0.08 -0.26 -0.02 0.00 0.00 0.00 0.00 36.38 36.02 2q4s s VAL 152 CO 0.14 0.18 -0.16 -0.94 0.00 0.00 0.00 175.10 174.32 2q4s s SER 153 N 1.73 1.92 -0.29 3.32 1.04 -0.33 0.56 113.70 121.64 2q4s s SER 153 Ca -0.00 -0.44 -0.10 0.00 0.48 0.00 0.00 55.95 55.89 2q4s s SER 153 Cb -0.13 -0.15 -0.02 0.00 0.10 0.00 0.00 66.02 65.82 2q4s s SER 153 CO -0.03 0.10 0.15 -0.22 0.98 0.00 0.00 173.24 174.22 2q4s s LEU 154 N -0.99 3.99 -0.10 2.42 2.96 0.74 0.62 118.68 128.31 2q4s s LEU 154 Ca 0.04 -0.33 0.02 0.00 -0.22 0.00 0.00 54.13 53.64 2q4s s LEU 154 Cb -0.08 -2.03 -0.02 0.00 0.50 0.00 0.00 46.19 44.57 2q4s s LEU 154 CO 0.01 -0.13 -0.15 -1.00 -1.32 0.00 0.00 176.35 173.76 2q4s s HIS 155 N 1.66 2.74 -0.17 5.38 3.76 -1.26 -0.24 115.29 127.15 2q4s s HIS 155 Ca 0.06 -0.54 0.01 0.00 -0.15 0.00 0.00 55.06 54.44 2q4s s HIS 155 Cb -0.16 -1.76 0.02 0.00 1.11 0.00 0.00 32.58 31.79 2q4s s HIS 155 CO 0.07 -0.11 -0.20 -1.17 -0.85 0.00 0.00 174.74 172.48 2q4s s LEU 156 N 0.01 2.11 -0.10 0.89 0.20 -0.82 -4.17 118.68 116.80 2q4s s LEU 156 Ca -0.05 -0.64 0.03 0.00 0.69 0.00 0.00 54.13 54.17 2q4s s LEU 156 Cb -0.14 -1.47 0.00 0.00 -0.43 0.00 0.00 46.19 44.15 2q4s s LEU 156 CO 0.04 0.01 -0.21 -0.31 -0.29 0.00 0.00 176.35 175.59 2q4s s TYR 157 N 1.23 2.34 -0.09 5.38 2.02 0.10 -1.84 117.35 126.48 2q4s s TYR 157 Ca 0.03 -0.97 -0.04 0.00 -0.37 0.00 0.00 57.07 55.73 2q4s s TYR 157 Cb -0.13 -1.58 0.05 0.00 -0.40 0.00 0.00 41.96 39.89 2q4s s TYR 157 CO -0.11 -0.41 0.19 0.45 -1.57 0.00 0.00 175.55 174.10 2q4s s SER 158 N 0.45 0.39 0.99 2.29 0.15 -0.87 -0.73 113.70 116.36 2q4s s SER 158 Ca -0.17 0.40 -0.12 0.00 0.70 0.00 0.00 55.95 56.76 2q4s s SER 158 Cb -0.17 0.36 0.18 0.00 -1.71 0.00 0.00 66.02 64.68 2q4s s SER 158 CO 0.07 -0.22 1.08 -2.84 1.20 0.00 0.00 173.24 172.54 2q4s s PRO 159 N 1.99 0.52 0.83 5.44 0.02 -1.26 -0.96 135.00 141.58 2q4s s PRO 159 Ca -0.01 0.72 -0.12 0.00 0.02 0.00 0.00 61.00 61.61 2q4s s PRO 159 Cb -0.12 -1.73 0.10 0.00 0.02 0.00 0.00 34.50 32.77 2q4s s PRO 159 CO -0.07 -2.72 1.18 -2.14 -0.33 0.00 0.00 177.00 172.92 2q4s s PRO 160 N -4.86 1.53 -0.26 5.54 0.02 -1.22 -4.79 135.00 130.96 2q4s s PRO 160 Ca 0.65 1.64 -0.13 0.00 0.02 0.00 0.00 61.00 63.19 2q4s s PRO 160 Cb -0.20 -1.78 0.09 0.00 0.02 0.00 0.00 34.50 32.64 2q4s s PRO 160 CO 0.58 -2.27 0.61 -0.59 -0.33 0.00 0.00 177.00 175.01 2q4s s PHE 161 N -2.35 -1.04 -0.44 6.54 -0.12 -1.26 -5.03 117.98 114.28 2q4s s PHE 161 Ca 0.70 2.00 0.19 0.00 -0.05 0.00 0.00 56.93 59.77 2q4s s PHE 161 Cb -0.26 0.59 -0.25 0.00 -0.63 0.00 0.00 43.02 42.47 2q4s s PHE 161 CO 0.53 -0.53 0.60 -0.40 -0.05 0.00 0.00 175.22 175.37 2q4s n ASP 162 N 4.69 0.73 -4.60 1.98 5.68 -1.26 -4.94 116.55 118.83 2q4s n ASP 162 Ca -0.17 -0.45 -0.30 0.00 -0.50 0.00 0.00 54.79 53.36 2q4s n ASP 162 Cb 0.55 1.46 -0.10 0.00 -1.14 0.00 0.00 41.12 41.89 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 -3.06 3.54 0.12 2.12 -4.23 -1.26 -4.47 115.64 108.39 2q4s s THR 163 Ca -0.00 -1.10 -0.03 0.00 -1.18 0.00 0.00 61.69 59.38 2q4s s THR 163 Cb 0.13 -2.63 0.01 0.00 1.34 0.00 0.00 72.50 71.36 2q4s s THR 163 CO 0.79 0.19 0.20 0.00 -0.54 0.00 0.00 174.62 175.26 2q4s s HIS 165 N -5.74 2.47 -0.09 0.00 3.76 -1.26 -0.53 115.29 113.91 2q4s s HIS 165 Ca 0.07 -0.32 -0.01 0.00 -0.15 0.00 0.00 55.06 54.65 2q4s s HIS 165 Cb -0.01 -1.49 -0.03 0.00 1.11 0.00 0.00 32.58 32.17 2q4s s HIS 165 CO 0.05 0.14 -0.05 0.00 -0.85 0.00 0.00 174.74 174.03 2q4s s ALA 166 N -0.79 3.03 0.04 -1.40 0.00 -0.21 -2.77 121.76 119.65 2q4s s ALA 166 Ca 0.12 -0.86 0.03 0.00 0.00 0.00 0.00 51.96 51.25 2q4s s ALA 166 Cb -0.10 -1.33 -0.04 0.00 0.00 0.00 0.00 23.12 21.65 2q4s s ALA 166 CO 0.02 0.50 -0.00 -0.06 0.00 0.00 0.00 175.76 176.21 2q4s s PHE 167 N -0.56 3.02 -0.39 0.00 0.08 -0.53 -1.04 117.98 118.56 2q4s s PHE 167 Ca 0.09 0.02 -0.24 0.00 0.12 0.00 0.00 56.93 56.92 2q4s s PHE 167 Cb -0.12 -1.60 0.02 0.00 -0.57 0.00 0.00 43.02 40.74 2q4s s PHE 167 CO 0.02 0.46 0.82 0.34 -0.10 0.00 0.00 175.22 176.76 2q4s s ASP 168 N -1.91 6.53 0.62 1.36 2.15 -0.18 -4.39 116.67 120.86 2q4s s ASP 168 Ca 0.22 0.26 0.35 0.00 0.43 0.00 0.00 52.55 53.81 2q4s s ASP 168 Cb -0.12 -2.41 2.02 0.00 -0.30 0.00 0.00 42.92 42.11 2q4s s ASP 168 CO 0.14 -0.83 2.28 -0.61 -0.17 0.00 0.00 175.17 175.98 2q4s h GLN 169 N 8.66 0.00 -0.01 4.34 4.15 -1.95 0.44 115.11 130.74 2q4s h GLN 169 Ca -0.24 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.18 2q4s h GLN 169 Cb 1.09 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.78 2q4s h GLN 169 CO 0.95 0.00 -0.48 0.54 -1.93 0.00 0.00 178.83 177.90 2q4s n ARG 170 N -3.57 0.48 0.00 1.69 5.12 -1.26 -4.53 116.66 114.58 2q4s n ARG 170 Ca -0.03 -0.32 0.00 0.00 -1.93 0.00 0.00 57.85 55.57 2q4s n ARG 170 Cb 0.10 -1.49 0.00 0.00 -1.16 0.00 0.00 32.46 29.91 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 -0.98 0.00 0.00 0.55 -2.24 -0.89 -3.97 114.28 106.75 2q4s n THR 171 Ca 0.08 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.86 2q4s n THR 171 Cb 0.36 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.59 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 0.03 1.89 3.70 3.38 0.00 0.15 -3.58 105.19 110.76 2q4s n GLY 172 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 2.34 -4.89 1.61 -0.00 -1.26 -4.55 115.22 106.48 2q4s n HIS 173 Ca 0.00 0.49 -0.30 0.00 -0.00 0.00 0.00 57.72 57.91 2q4s n HIS 173 Cb 0.00 -2.45 -0.15 0.00 -0.00 0.00 0.00 29.99 27.39 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 -1.39 1.76 -0.03 1.57 -2.85 -1.26 -1.01 119.74 116.52 2q4s s LYS 174 Ca 0.59 -1.08 0.05 0.00 -1.00 0.00 0.00 55.97 54.53 2q4s s LYS 174 Cb -0.58 -1.92 -0.01 0.00 -2.06 0.00 0.00 37.83 33.26 2q4s s LYS 174 CO 0.58 0.50 -0.19 0.54 0.10 0.00 0.00 175.35 176.87 2q4s s ASN 175 N -1.21 2.34 0.00 0.03 4.22 -0.20 -4.95 114.94 115.17 2q4s s ASN 175 Ca 0.11 -0.37 -0.30 0.00 -2.14 0.00 0.00 52.86 50.16 2q4s s ASN 175 Cb -0.10 -0.49 -0.03 0.00 1.28 0.00 0.00 41.25 41.91 2q4s s ASN 175 CO 0.02 0.20 1.03 -0.75 -2.04 0.00 0.00 177.10 175.56 2q4s s LYS 176 N -0.19 4.52 0.10 3.55 2.20 -1.26 -1.05 119.74 127.61 2q4s s LYS 176 Ca 0.01 1.49 0.09 0.00 -0.36 0.00 0.00 55.97 57.20 2q4s s LYS 176 Cb -0.10 -3.45 -0.04 0.00 -1.51 0.00 0.00 37.83 32.73 2q4s s LYS 176 CO 0.01 -0.12 -0.21 0.08 -0.36 0.00 0.00 175.35 174.74 2q4s s VAL 177 N 1.15 2.61 0.03 4.02 1.01 0.31 -4.95 120.40 124.58 2q4s s VAL 177 Ca 0.53 -1.51 0.00 0.00 0.00 0.00 0.00 61.98 61.00 2q4s s VAL 177 Cb -0.22 -2.16 0.00 0.00 0.00 0.00 0.00 36.38 34.00 2q4s s VAL 177 CO 0.27 0.16 0.02 0.41 0.00 0.00 0.00 175.10 175.96 2q4s n THR 178 N 1.04 0.00 -3.51 3.92 -1.04 -1.26 -1.77 114.28 111.66 2q4s n THR 178 Ca -0.16 -0.11 -0.09 0.00 -2.04 0.00 0.00 64.05 61.65 2q4s n THR 178 Cb 0.53 -0.45 -0.02 0.00 -1.82 0.00 0.00 70.33 68.56 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 -0.18 0.00 -0.21 12.58 -4.23 -1.26 -5.00 115.64 117.34 2q4s s THR 180 Ca 0.01 0.00 -0.14 0.00 -1.18 0.00 0.00 61.69 60.39 2q4s s THR 180 Cb -0.00 -1.00 -0.04 0.00 1.34 0.00 0.00 72.50 72.79 2q4s s THR 180 CO 0.01 0.00 0.29 -0.36 -0.54 0.00 0.00 174.62 174.02 2q4s s PHE 181 N -2.97 3.36 0.27 3.99 0.08 -1.26 -4.68 117.98 116.76 2q4s s PHE 181 Ca 0.04 0.46 -0.03 0.00 0.12 0.00 0.00 56.93 57.52 2q4s s PHE 181 Cb -0.01 -2.41 0.35 0.00 -0.57 0.00 0.00 43.02 40.38 2q4s s PHE 181 CO -0.08 0.04 1.83 1.25 -0.10 0.00 0.00 175.22 178.16 2q4s h HIS 182 N 7.35 0.96 -3.53 0.36 -0.00 -0.47 -3.43 115.15 116.38 2q4s h HIS 182 Ca -0.37 -0.07 -0.08 0.00 -0.00 0.00 0.00 60.37 59.85 2q4s h HIS 182 Cb 1.16 -0.29 -0.15 0.00 -0.00 0.00 0.00 27.41 28.14 2q4s h HIS 182 CO 0.67 0.76 -0.25 -1.54 -0.00 0.00 0.00 177.93 177.57 2q4s s SER 183 N -6.50 -0.06 -0.08 3.26 1.04 -1.16 -0.31 113.70 109.89 2q4s s SER 183 Ca -0.11 -0.41 -0.03 0.00 0.48 0.00 0.00 55.95 55.88 2q4s s SER 183 Cb 0.16 0.38 0.04 0.00 0.10 0.00 0.00 66.02 66.70 2q4s s SER 183 CO 0.81 -0.73 0.10 -0.54 0.98 0.00 0.00 173.24 173.86 2q4s s LYS 184 N -3.44 -0.01 -0.85 4.02 1.02 -0.99 -0.89 119.74 118.59 2q4s s LYS 184 Ca 0.01 0.35 -0.05 0.00 0.02 0.00 0.00 55.97 56.31 2q4s s LYS 184 Cb 0.02 -0.69 0.01 0.00 -0.52 0.00 0.00 37.83 36.65 2q4s s LYS 184 CO -0.09 -0.39 0.61 1.19 -0.92 0.00 0.00 175.35 175.75 2q4s n PHE 185 N 5.30 -1.58 -1.40 3.18 3.72 -0.44 -3.46 117.46 122.79 2q4s n PHE 185 Ca -0.04 0.52 -0.05 0.00 -0.05 0.00 0.00 57.45 57.83 2q4s n PHE 185 Cb 0.50 -3.34 -0.02 0.00 -0.94 0.00 0.00 39.48 35.68 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 -1.35 0.62 2.92 1.37 0.00 -1.26 -5.04 105.19 102.44 2q4s n GLY 186 Ca -0.02 -0.79 -0.24 0.00 0.00 0.00 0.00 46.02 44.97 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 -2.21 0.88 0.23 -0.61 -1.09 -1.22 -4.99 121.20 112.18 2q4s s ILE 187 Ca 0.00 -0.25 -0.32 0.00 -2.23 0.00 0.00 60.65 57.85 2q4s s ILE 187 Cb 0.00 -0.88 -0.12 0.00 -1.58 0.00 0.00 42.46 39.87 2q4s s ILE 187 CO 0.00 0.32 1.62 -1.14 -1.23 0.00 0.00 174.94 174.52 2q4s n ARG 188 N 4.51 2.56 -3.86 2.79 3.00 -1.26 -2.35 116.66 122.05 2q4s n ARG 188 Ca -0.17 0.92 -0.29 0.00 -0.00 0.00 0.00 57.85 58.31 2q4s n ARG 188 Cb 0.51 -2.71 -0.13 0.00 0.00 0.00 0.00 32.46 30.13 2q4s n ARG 188 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.63 178.58 2q4s s THR 189 N 0.63 2.35 -0.94 5.15 -4.23 0.57 -4.92 115.64 114.26 2q4s s THR 189 Ca 0.72 -3.47 0.00 0.00 -1.18 0.00 0.00 61.69 57.75 2q4s s THR 189 Cb -0.55 -2.60 0.00 0.00 1.34 0.00 0.00 72.50 70.69 2q4s s THR 189 CO 0.40 -0.91 0.23 -2.65 -0.54 0.00 0.00 174.62 171.15