#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 4.43 0.39 -4.62 1.43 -1.26 -5.04 118.68 114.02 2q4s s LEU 6 Ca 0.00 -0.38 0.03 0.00 -1.03 0.00 0.00 54.13 52.75 2q4s s LEU 6 Cb 0.00 -2.77 -0.01 0.00 0.03 0.00 0.00 46.19 43.44 2q4s s LEU 6 CO 0.00 -0.93 0.58 -0.76 0.23 0.00 0.00 176.35 175.47 2q4s s LEU 7 N 3.15 3.81 -0.26 1.79 1.43 -1.26 -5.05 118.68 122.29 2q4s s LEU 7 Ca 0.25 0.10 -0.29 0.00 -1.03 0.00 0.00 54.13 53.16 2q4s s LEU 7 Cb -0.14 -3.00 0.00 0.00 0.03 0.00 0.00 46.19 43.08 2q4s s LEU 7 CO 0.19 -0.56 1.19 -0.75 0.23 0.00 0.00 176.35 176.65 2q4s s LYS 8 N -4.38 4.08 0.07 1.70 2.20 -1.26 -4.96 119.74 117.19 2q4s s LYS 8 Ca 0.46 1.31 -0.31 0.00 -0.36 0.00 0.00 55.97 57.08 2q4s s LYS 8 Cb -0.10 -3.78 -0.09 0.00 -1.51 0.00 0.00 37.83 32.36 2q4s s LYS 8 CO 0.35 -0.89 1.71 -2.14 -0.36 0.00 0.00 175.35 174.02 2q4s s PRO 9 N 3.72 4.18 0.11 4.03 0.02 -1.24 -4.86 135.00 140.96 2q4s s PRO 9 Ca 0.51 2.40 -0.01 0.00 0.02 0.00 0.00 61.00 63.92 2q4s s PRO 9 Cb -0.16 -3.65 -0.19 0.00 0.02 0.00 0.00 34.50 30.52 2q4s s PRO 9 CO 0.16 -0.77 1.24 0.00 -0.33 0.00 0.00 177.00 177.30 2q4s h ARG 10 N 8.56 0.23 -5.02 5.54 3.08 -1.93 -3.41 114.38 121.43 2q4s h ARG 10 Ca -0.43 -0.33 -0.43 0.00 0.07 0.00 0.00 59.98 58.86 2q4s h ARG 10 Cb 1.21 0.11 -0.14 0.00 0.08 0.00 0.00 29.97 31.23 2q4s h ARG 10 CO 0.94 1.11 -0.59 0.95 -1.07 0.00 0.00 179.97 181.30 2q4s s THR 11 N -2.86 0.74 0.33 2.04 -4.23 -1.26 -4.80 115.64 105.60 2q4s s THR 11 Ca -0.03 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 58.51 2q4s s THR 11 Cb 0.08 -2.63 0.16 0.00 1.34 0.00 0.00 72.50 71.45 2q4s s THR 11 CO 0.86 0.00 1.87 0.25 -0.54 0.00 0.00 174.62 177.06 2q4s h LEU 12 N 2.18 0.55 -0.44 4.79 5.85 -1.91 -1.45 115.31 124.88 2q4s h LEU 12 Ca -0.38 -0.10 0.04 0.00 0.84 0.00 0.00 57.88 58.28 2q4s h LEU 12 Cb 1.25 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 42.09 2q4s h LEU 12 CO 0.62 0.60 0.20 0.00 -0.34 0.00 0.00 178.44 179.51 2q4s h ALA 13 N 1.47 0.54 -0.34 1.25 0.00 -1.96 -0.97 119.26 119.26 2q4s h ALA 13 Ca 0.12 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 2q4s h ALA 13 Cb 0.32 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 2q4s h ALA 13 CO 0.01 -0.17 0.13 -0.44 0.00 0.00 0.00 179.25 178.77 2q4s h ASP 14 N 0.39 0.48 -0.40 0.00 3.32 -1.81 -1.39 116.42 117.01 2q4s h ASP 14 Ca 0.20 -0.18 0.07 0.00 0.02 0.00 0.00 57.03 57.14 2q4s h ASP 14 Cb 0.14 -0.12 -0.06 0.00 0.22 0.00 0.00 39.33 39.50 2q4s h ASP 14 CO -0.16 0.53 0.02 0.25 -1.72 0.00 0.00 179.24 178.15 2q4s h LEU 15 N 0.40 -0.13 -0.65 1.55 5.85 -0.89 -0.09 115.31 121.36 2q4s h LEU 15 Ca 0.11 0.09 0.01 0.00 0.84 0.00 0.00 57.88 58.93 2q4s h LEU 15 Cb 0.21 0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.35 2q4s h LEU 15 CO -0.01 -0.03 0.42 0.40 -0.34 0.00 0.00 178.44 178.89 2q4s h ILE 16 N 0.13 1.15 -0.34 4.05 2.04 -0.78 0.22 117.51 123.98 2q4s h ILE 16 Ca 0.20 -0.29 0.04 0.00 1.00 0.00 0.00 64.86 65.80 2q4s h ILE 16 Cb 0.27 0.21 -0.04 0.00 -0.74 0.00 0.00 36.82 36.53 2q4s h ILE 16 CO -0.31 0.16 0.11 -0.09 0.00 0.00 0.00 178.15 178.01 2q4s h ARG 17 N 0.86 0.24 -0.62 2.37 2.43 -0.49 -1.24 114.38 117.93 2q4s h ARG 17 Ca 0.24 -0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 59.33 2q4s h ARG 17 Cb -0.07 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.40 2q4s h ARG 17 CO -0.06 0.16 0.12 0.82 -1.51 0.00 0.00 179.97 179.50 2q4s h ILE 18 N 0.24 1.26 -0.90 1.20 2.04 -0.63 -2.31 117.51 118.41 2q4s h ILE 18 Ca 0.15 -0.97 0.05 0.00 1.00 0.00 0.00 64.86 65.10 2q4s h ILE 18 Cb 0.14 0.69 -0.06 0.00 -0.74 0.00 0.00 36.82 36.85 2q4s h ILE 18 CO -0.17 0.36 0.59 -0.07 0.00 0.00 0.00 178.15 178.86 2q4s h LEU 19 N 0.92 0.94 -1.20 1.44 3.38 -0.46 0.21 115.31 120.55 2q4s h LEU 19 Ca 0.19 -0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.10 2q4s h LEU 19 Cb 0.40 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 2q4s h LEU 19 CO 0.01 0.63 -0.06 0.45 0.09 0.00 0.00 178.44 179.56 2q4s h HIS 20 N 1.08 0.50 -0.49 1.13 3.86 -0.72 -1.26 115.15 119.25 2q4s h HIS 20 Ca 0.37 -0.06 -0.12 0.00 -1.16 0.00 0.00 60.37 59.41 2q4s h HIS 20 Cb 0.10 -0.14 -0.01 0.00 1.06 0.00 0.00 27.41 28.42 2q4s h HIS 20 CO -0.00 0.54 -0.15 0.93 0.86 0.00 0.00 177.93 180.11 2q4s h GLU 21 N 0.45 0.98 -0.23 2.45 5.08 -0.20 -2.91 114.58 120.20 2q4s h GLU 21 Ca 0.09 -0.39 -0.09 0.00 -1.00 0.00 0.00 59.36 57.98 2q4s h GLU 21 Cb 0.39 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 2q4s h GLU 21 CO 0.02 1.06 -0.24 -0.07 -1.00 0.00 0.00 179.01 178.78 2q4s h LEU 22 N 0.83 0.42 -3.26 1.33 3.38 -0.39 -2.96 115.31 114.66 2q4s h LEU 22 Ca 0.12 -0.13 -0.07 0.00 0.09 0.00 0.00 57.88 57.89 2q4s h LEU 22 Cb 0.72 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 41.32 2q4s h LEU 22 CO 0.06 0.66 0.09 0.49 0.09 0.00 0.00 178.44 179.82 2q4s n PHE 23 N -4.14 1.91 0.09 1.13 3.72 -0.51 -4.42 117.46 115.24 2q4s n PHE 23 Ca -0.00 -0.78 -0.03 0.00 -0.05 0.00 0.00 57.45 56.59 2q4s n PHE 23 Cb 0.38 -0.51 0.17 0.00 -0.94 0.00 0.00 39.48 38.58 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 3.32 0.99 -3.63 4.37 0.00 -1.34 -3.46 119.26 119.51 2q4s h ALA 24 Ca 0.08 -0.48 -0.09 0.00 0.00 0.00 0.00 54.91 54.42 2q4s h ALA 24 Cb 1.89 -0.09 0.03 0.00 0.00 0.00 0.00 17.79 19.62 2q4s h ALA 24 CO 0.50 0.66 0.05 0.41 0.00 0.00 0.00 179.25 180.87 2q4s n GLY 25 N 0.03 -0.18 0.09 0.00 0.00 -1.26 -5.02 105.19 98.85 2q4s n GLY 25 Ca -0.02 -1.83 0.12 0.00 0.00 0.00 0.00 46.02 44.29 2q4s n GLY 25 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2q4s h ASP 26 N -0.24 0.00 -2.39 1.61 3.32 -1.95 -3.47 116.42 113.30 2q4s h ASP 26 Ca -0.08 -0.14 0.00 0.00 0.02 0.00 0.00 57.03 56.83 2q4s h ASP 26 Cb 0.25 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.80 2q4s h ASP 26 CO 0.07 0.07 0.00 -0.62 -1.72 0.00 0.00 179.24 177.04 2q4s n GLU 27 N -2.27 2.09 -3.72 3.56 -0.58 -1.26 -5.17 120.64 113.30 2q4s n GLU 27 Ca 0.03 0.00 -0.14 0.00 -0.42 0.00 0.00 57.16 56.64 2q4s n GLU 27 Cb 0.46 0.00 -0.09 0.00 -0.57 0.00 0.00 31.44 31.24 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 -0.72 0.01 -0.51 2.62 1.01 -1.26 -4.86 120.40 116.69 2q4s s VAL 28 Ca 0.00 -0.11 -0.14 0.00 0.00 0.00 0.00 61.98 61.73 2q4s s VAL 28 Cb 0.00 -0.64 0.12 0.00 0.00 0.00 0.00 36.38 35.85 2q4s s VAL 28 CO 0.00 -0.06 0.44 0.21 0.00 0.00 0.00 175.10 175.69 2q4s s ASN 29 N -0.26 6.04 0.19 3.32 3.84 -1.26 -4.97 114.94 121.84 2q4s s ASN 29 Ca -0.04 -1.77 -0.19 0.00 0.21 0.00 0.00 52.86 51.07 2q4s s ASN 29 Cb -0.03 -2.15 0.14 0.00 -0.55 0.00 0.00 41.25 38.66 2q4s s ASN 29 CO 0.02 -0.78 1.59 0.58 -2.79 0.00 0.00 177.10 175.72 2q4s h VAL 30 N 5.95 0.21 -0.34 -5.21 2.07 -1.99 -0.63 116.25 116.30 2q4s h VAL 30 Ca -0.27 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.24 2q4s h VAL 30 Cb 1.09 0.21 -0.02 0.00 -1.52 0.00 0.00 31.29 31.05 2q4s h VAL 30 CO 0.97 0.00 0.17 -0.33 0.02 0.00 0.00 177.57 178.40 2q4s h GLU 31 N -0.14 0.47 -0.03 1.57 4.39 -1.99 0.20 114.58 119.05 2q4s h GLU 31 Ca 0.24 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.89 2q4s h GLU 31 Cb 0.54 -0.10 -0.00 0.00 -0.10 0.00 0.00 28.75 29.09 2q4s h GLU 31 CO -0.66 0.36 -0.02 0.93 -1.16 0.00 0.00 179.01 178.46 2q4s h GLU 32 N 0.48 0.07 -0.44 2.33 5.08 -1.58 -1.34 114.58 119.17 2q4s h GLU 32 Ca 0.12 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.42 2q4s h GLU 32 Cb 0.04 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.27 2q4s h GLU 32 CO -0.02 0.47 0.15 0.28 -1.00 0.00 0.00 179.01 178.89 2q4s h VAL 33 N -0.33 1.18 -0.16 3.13 2.07 -0.82 -2.37 116.25 118.94 2q4s h VAL 33 Ca 0.01 -0.59 -0.03 0.00 0.82 0.00 0.00 66.70 66.91 2q4s h VAL 33 Cb 0.45 0.68 -0.01 0.00 -1.52 0.00 0.00 31.29 30.89 2q4s h VAL 33 CO 0.00 0.22 -0.00 -0.61 0.02 0.00 0.00 177.57 177.21 2q4s h GLN 34 N 0.63 0.29 -0.68 1.57 4.15 -0.94 -2.37 115.11 117.76 2q4s h GLN 34 Ca 0.15 -0.09 0.01 0.00 0.77 0.00 0.00 58.65 59.49 2q4s h GLN 34 Cb 0.17 -0.03 -0.04 0.00 0.21 0.00 0.00 27.48 27.80 2q4s h GLN 34 CO -0.01 0.51 0.45 0.00 -1.93 0.00 0.00 178.83 177.85 2q4s h ALA 35 N 0.77 1.54 0.00 3.38 0.00 -0.95 0.15 119.26 124.14 2q4s h ALA 35 Ca 0.05 -0.04 -0.18 0.00 0.00 0.00 0.00 54.91 54.73 2q4s h ALA 35 Cb 0.38 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 2q4s h ALA 35 CO 0.01 0.42 -0.85 -0.24 0.00 0.00 0.00 179.25 178.59 2q4s h VAL 36 N 0.90 1.54 -0.27 0.00 3.04 -1.41 -0.20 116.25 119.85 2q4s h VAL 36 Ca 0.26 -2.97 -0.08 0.00 -1.01 0.00 0.00 66.70 62.91 2q4s h VAL 36 Cb -0.06 2.63 -0.01 0.00 -2.01 0.00 0.00 31.29 31.84 2q4s h VAL 36 CO -0.06 0.83 -0.12 -0.07 -1.01 0.00 0.00 177.57 177.14 2q4s h LEU 37 N 0.00 0.58 -1.10 3.16 3.38 -0.87 -2.62 115.31 117.84 2q4s h LEU 37 Ca -0.01 -0.40 -0.05 0.00 0.09 0.00 0.00 57.88 57.51 2q4s h LEU 37 Cb 1.56 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 42.13 2q4s h LEU 37 CO 0.11 0.86 0.08 -0.08 0.09 0.00 0.00 178.44 179.50 2q4s h GLU 38 N 0.31 0.71 -0.93 1.13 4.81 -0.92 -2.69 114.58 116.99 2q4s h GLU 38 Ca 0.06 -0.15 0.00 0.00 -0.13 0.00 0.00 59.36 59.14 2q4s h GLU 38 Cb 0.63 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.91 2q4s h GLU 38 CO 0.04 0.67 0.00 0.00 -0.73 0.00 0.00 179.01 178.99 2q4s n ALA 39 N -2.47 2.26 -3.30 2.92 0.00 -0.09 -4.63 120.51 115.20 2q4s n ALA 39 Ca 0.03 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.12 2q4s n ALA 39 Cb 0.23 -1.00 -0.14 0.00 0.00 0.00 0.00 19.45 18.55 2q4s n ALA 39 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 2q4s s TYR 40 N -0.64 2.96 -0.42 0.00 5.04 -1.02 -3.73 117.35 119.54 2q4s s TYR 40 Ca 0.00 -0.73 -0.25 0.00 -2.44 0.00 0.00 57.07 53.65 2q4s s TYR 40 Cb 0.00 -2.05 0.02 0.00 0.35 0.00 0.00 41.96 40.28 2q4s s TYR 40 CO 0.00 -0.38 0.89 -1.21 -1.34 0.00 0.00 175.55 173.50 2q4s s GLU 41 N 1.10 3.63 -0.21 4.97 0.41 -1.26 -4.97 118.70 122.36 2q4s s GLU 41 Ca 0.01 0.26 -0.29 0.00 -0.41 0.00 0.00 54.97 54.54 2q4s s GLU 41 Cb -0.15 -3.88 -0.06 0.00 -1.78 0.00 0.00 34.13 28.26 2q4s s GLU 41 CO -0.00 -1.09 2.20 0.45 -0.49 0.00 0.00 175.26 176.33 2q4s n SER 42 N 6.91 3.19 -4.08 -0.19 2.88 -1.26 -4.94 113.62 116.12 2q4s n SER 42 Ca 0.05 0.29 -0.33 0.00 -1.33 0.00 0.00 58.87 57.55 2q4s n SER 42 Cb 0.48 -1.52 -0.14 0.00 -0.75 0.00 0.00 64.21 62.29 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 7.85 4.89 0.50 -3.46 3.84 -1.26 -4.98 114.94 122.32 2q4s s ASN 43 Ca 1.01 -1.87 0.39 0.00 0.21 0.00 0.00 52.86 52.61 2q4s s ASN 43 Cb -0.41 -1.69 1.58 0.00 -0.55 0.00 0.00 41.25 40.17 2q4s s ASN 43 CO 0.38 -0.38 1.61 -0.65 -2.79 0.00 0.00 177.10 175.27 2q4s h PRO 44 N 7.83 0.03 0.00 0.43 0.11 -1.92 0.11 132.00 138.59 2q4s h PRO 44 Ca -0.12 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.99 2q4s h PRO 44 Cb 1.04 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.14 2q4s h PRO 44 CO 0.57 0.02 0.00 0.00 -0.21 0.00 0.00 178.00 178.38 2q4s h ALA 45 N 1.34 1.00 0.00 -0.75 0.00 -2.01 -2.14 119.26 116.70 2q4s h ALA 45 Ca 0.86 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.77 2q4s h ALA 45 Cb 3.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 20.87 2q4s h ALA 45 CO -0.22 0.00 -0.84 0.39 0.00 0.00 0.00 179.25 178.58 2q4s n GLU 46 N -2.64 0.19 0.00 0.00 1.02 0.37 -4.35 120.64 115.24 2q4s n GLU 46 Ca 0.00 0.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.15 2q4s n GLU 46 Cb 0.19 -1.58 0.00 0.00 -0.02 0.00 0.00 31.44 30.03 2q4s n GLU 46 CO 0.00 0.00 0.00 -2.67 1.18 0.00 0.00 177.13 175.64 2q4s n TRP 47 N -1.83 0.00 -0.23 -0.32 4.27 -1.11 -4.80 117.44 113.41 2q4s n TRP 47 Ca 0.03 -0.17 0.21 0.00 -3.89 0.00 0.00 57.50 53.68 2q4s n TRP 47 Cb 0.40 -0.02 0.55 0.00 -1.36 0.00 0.00 31.31 30.89 2q4s n TRP 47 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2q4s h ALA 48 N 0.00 2.32 -0.27 -1.67 0.00 -1.59 0.02 119.26 118.07 2q4s h ALA 48 Ca 0.00 0.01 0.08 0.00 0.00 0.00 0.00 54.91 55.00 2q4s h ALA 48 Cb 0.45 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 2q4s h ALA 48 CO 0.00 -0.60 0.20 1.25 0.00 0.00 0.00 179.25 180.10 2q4s h LEU 49 N 0.33 0.00 0.00 0.00 5.85 -1.88 -2.35 115.31 117.26 2q4s h LEU 49 Ca 0.47 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.19 2q4s h LEU 49 Cb 1.28 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.31 2q4s h LEU 49 CO -0.15 0.00 -1.28 -1.22 -0.34 0.00 0.00 178.44 175.45 2q4s n TYR 50 N -4.38 0.12 -2.31 1.25 4.01 -0.02 -4.57 117.16 111.26 2q4s n TYR 50 Ca 0.03 0.04 -0.43 0.00 -0.16 0.00 0.00 57.90 57.38 2q4s n TYR 50 Cb 0.36 -0.33 0.00 0.00 -0.31 0.00 0.00 39.34 39.06 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 -1.85 4.77 -2.56 -0.72 0.00 -0.89 -4.76 120.51 114.50 2q4s n ALA 51 Ca 0.01 -4.07 -0.43 0.00 0.00 0.00 0.00 53.44 48.95 2q4s n ALA 51 Cb 0.44 -3.30 -0.09 0.00 0.00 0.00 0.00 19.45 16.50 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 2.28 2.97 0.33 0.00 1.02 -1.26 -5.01 119.74 120.07 2q4s s LYS 52 Ca 0.46 -1.10 -0.07 0.00 0.02 0.00 0.00 55.97 55.27 2q4s s LYS 52 Cb 0.08 -4.02 -0.06 0.00 -0.52 0.00 0.00 37.83 33.31 2q4s s LYS 52 CO -0.01 -0.82 0.63 -0.06 -0.92 0.00 0.00 175.35 174.17 2q4s s PHE 53 N 1.67 3.47 0.03 3.18 0.08 -1.26 -4.73 117.98 120.42 2q4s s PHE 53 Ca 0.05 0.79 0.06 0.00 0.12 0.00 0.00 56.93 57.95 2q4s s PHE 53 Cb -0.20 -2.22 -0.02 0.00 -0.57 0.00 0.00 43.02 40.00 2q4s s PHE 53 CO 0.09 0.08 -0.18 0.34 -0.10 0.00 0.00 175.22 175.44 2q4s s ASP 54 N -3.15 2.20 0.53 1.36 2.15 -1.26 -5.06 116.67 113.44 2q4s s ASP 54 Ca 0.47 -0.47 0.32 0.00 0.43 0.00 0.00 52.55 53.29 2q4s s ASP 54 Cb -0.11 -0.18 1.32 0.00 -0.30 0.00 0.00 42.92 43.65 2q4s s ASP 54 CO 0.30 0.14 1.97 -0.61 -0.17 0.00 0.00 175.17 176.80 2q4s h GLN 55 N 5.01 0.00 0.00 4.34 4.15 -2.00 -3.36 115.11 123.25 2q4s h GLN 55 Ca -0.40 0.00 -0.38 0.00 0.77 0.00 0.00 58.65 58.64 2q4s h GLN 55 Cb 1.16 0.00 -0.07 0.00 0.21 0.00 0.00 27.48 28.78 2q4s h GLN 55 CO 0.44 0.05 -2.41 0.66 -1.93 0.00 0.00 178.83 175.65 2q4s n TYR 56 N -3.17 0.04 -4.03 3.99 4.01 -1.26 -4.98 117.16 111.77 2q4s n TYR 56 Ca 0.00 0.01 -0.13 0.00 -0.16 0.00 0.00 57.90 57.62 2q4s n TYR 56 Cb 0.32 -1.01 -0.03 0.00 -0.31 0.00 0.00 39.34 38.31 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 -2.51 1.93 0.58 -0.72 1.70 -1.26 -4.92 118.95 113.77 2q4s s ARG 57 Ca -0.20 -1.66 -0.16 0.00 -0.47 0.00 0.00 55.73 53.24 2q4s s ARG 57 Cb 0.07 0.48 -0.04 0.00 -0.57 0.00 0.00 34.95 34.89 2q4s s ARG 57 CO 0.74 -0.82 1.04 1.52 -1.08 0.00 0.00 175.30 176.70 2q4s s TYR 58 N -3.01 3.08 0.14 5.89 -0.85 -1.26 -4.35 117.35 116.99 2q4s s TYR 58 Ca 0.27 1.50 0.08 0.00 -0.52 0.00 0.00 57.07 58.40 2q4s s TYR 58 Cb -0.01 -2.96 -0.04 0.00 0.38 0.00 0.00 41.96 39.33 2q4s s TYR 58 CO 0.18 -0.99 -0.13 0.95 -1.52 0.00 0.00 175.55 174.04 2q4s s THR 59 N -2.52 3.09 -0.19 -3.49 -4.23 0.92 -4.91 115.64 104.32 2q4s s THR 59 Ca 0.62 -1.50 -0.02 0.00 -1.18 0.00 0.00 61.69 59.61 2q4s s THR 59 Cb -0.15 -2.47 -0.00 0.00 1.34 0.00 0.00 72.50 71.22 2q4s s THR 59 CO 0.37 0.03 -0.10 -0.13 -0.54 0.00 0.00 174.62 174.25 2q4s s ARG 60 N -2.41 3.29 -0.19 3.99 0.52 -1.26 -0.97 118.95 121.93 2q4s s ARG 60 Ca 0.21 -0.68 0.01 0.00 -0.52 0.00 0.00 55.73 54.75 2q4s s ARG 60 Cb -0.10 -2.82 0.03 0.00 0.52 0.00 0.00 34.95 32.58 2q4s s ARG 60 CO 0.13 -0.10 -0.14 -0.80 0.02 0.00 0.00 175.30 174.40 2q4s s ASN 61 N 1.17 3.27 0.06 0.23 0.01 0.11 0.28 114.94 120.07 2q4s s ASN 61 Ca 0.02 -0.78 -0.31 0.00 -0.71 0.00 0.00 52.86 51.08 2q4s s ASN 61 Cb -0.14 -1.34 -0.06 0.00 0.41 0.00 0.00 41.25 40.12 2q4s s ASN 61 CO -0.03 -0.08 1.18 -0.22 -1.51 0.00 0.00 177.10 176.44 2q4s s LEU 62 N 1.35 4.38 -0.18 0.60 2.96 -0.17 0.01 118.68 127.62 2q4s s LEU 62 Ca 0.01 2.00 0.02 0.00 -0.22 0.00 0.00 54.13 55.95 2q4s s LEU 62 Cb -0.15 -3.58 -0.12 0.00 0.50 0.00 0.00 46.19 42.84 2q4s s LEU 62 CO -0.10 -0.45 -0.15 0.52 -1.32 0.00 0.00 176.35 174.85 2q4s n VAL 63 N 3.84 1.03 -3.68 1.68 0.31 -0.17 -0.92 118.33 120.42 2q4s n VAL 63 Ca 0.08 -0.40 -0.13 0.00 -0.01 0.00 0.00 64.34 63.88 2q4s n VAL 63 Cb 0.47 -1.12 -0.09 0.00 -0.91 0.00 0.00 33.84 32.19 2q4s n VAL 63 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2q4s s ASP 64 N -5.71 -0.59 0.00 4.52 2.15 -0.91 -4.73 116.67 111.40 2q4s s ASP 64 Ca -0.24 1.13 0.28 0.00 0.43 0.00 0.00 52.55 54.15 2q4s s ASP 64 Cb 0.06 1.14 1.23 0.00 -0.30 0.00 0.00 42.92 45.06 2q4s s ASP 64 CO 0.42 -0.20 1.84 0.00 -0.17 0.00 0.00 175.17 177.07 2q4s n GLN 65 N 2.84 1.48 -2.02 4.34 6.02 -1.26 -1.20 117.38 127.56 2q4s n GLN 65 Ca -0.14 -0.69 -0.20 0.00 -0.01 0.00 0.00 57.00 55.96 2q4s n GLN 65 Cb 0.56 -1.47 -0.04 0.00 1.02 0.00 0.00 30.24 30.31 2q4s n GLN 65 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2q4s n GLY 66 N 1.11 0.61 2.87 1.08 0.00 -1.12 -2.40 105.19 107.34 2q4s n GLY 66 Ca 0.20 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.03 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 -1.65 -4.25 0.00 1.61 4.13 -1.26 -1.51 115.26 112.32 2q4s n ASN 67 Ca -0.22 -0.10 0.00 0.00 1.68 0.00 0.00 54.58 55.94 2q4s n ASN 67 Cb 0.67 -3.54 0.00 0.00 -1.54 0.00 0.00 39.78 35.37 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 -1.06 2.04 0.08 7.41 0.00 -1.01 -4.90 105.19 107.75 2q4s n GLY 68 Ca -0.10 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.00 0.63 -3.88 1.61 4.76 -0.57 -4.72 118.16 113.99 2q4s n LYS 69 Ca 0.00 0.26 -0.09 0.00 -2.87 0.00 0.00 58.31 55.61 2q4s n LYS 69 Cb 0.00 -1.78 -0.04 0.00 -1.84 0.00 0.00 35.03 31.37 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 -2.67 0.09 -0.09 2.13 -0.12 -1.25 -4.22 117.98 111.86 2q4s s PHE 70 Ca -0.05 -0.46 0.03 0.00 -0.05 0.00 0.00 56.93 56.40 2q4s s PHE 70 Cb 0.08 0.35 0.01 0.00 -0.63 0.00 0.00 43.02 42.83 2q4s s PHE 70 CO 0.82 -1.00 -0.19 -0.80 -0.05 0.00 0.00 175.22 174.01 2q4s s ASN 71 N -2.95 2.51 0.18 1.98 -0.87 -0.31 -2.77 114.94 112.70 2q4s s ASN 71 Ca 0.15 -0.44 0.07 0.00 -1.57 0.00 0.00 52.86 51.07 2q4s s ASN 71 Cb -0.02 -1.15 -0.04 0.00 -0.02 0.00 0.00 41.25 40.02 2q4s s ASN 71 CO 0.04 0.10 0.02 -0.22 -2.57 0.00 0.00 177.10 174.46 2q4s s LEU 72 N 0.52 3.37 -0.02 0.60 2.96 -0.34 -1.61 118.68 124.15 2q4s s LEU 72 Ca -0.16 -0.37 -0.00 0.00 -0.22 0.00 0.00 54.13 53.37 2q4s s LEU 72 Cb -0.17 -2.01 0.03 0.00 0.50 0.00 0.00 46.19 44.54 2q4s s LEU 72 CO 0.06 0.08 0.04 -0.63 -1.32 0.00 0.00 176.35 174.59 2q4s s ILE 74 N -1.75 -0.05 -0.09 6.68 1.01 0.10 -1.00 121.20 126.10 2q4s s ILE 74 Ca 0.28 0.17 -0.01 0.00 0.00 0.00 0.00 60.65 61.09 2q4s s ILE 74 Cb -0.09 -0.09 -0.03 0.00 0.01 0.00 0.00 42.46 42.26 2q4s s ILE 74 CO 0.19 0.07 -0.05 -0.76 0.00 0.00 0.00 174.94 174.39 2q4s s LEU 75 N 0.88 3.23 -0.19 2.97 1.02 0.01 0.09 118.68 126.70 2q4s s LEU 75 Ca -0.07 -0.04 -0.01 0.00 0.02 0.00 0.00 54.13 54.04 2q4s s LEU 75 Cb -0.10 -1.73 0.01 0.00 0.02 0.00 0.00 46.19 44.39 2q4s s LEU 75 CO -0.03 0.31 -0.15 0.00 0.02 0.00 0.00 176.35 176.51 2q4s s TRP 77 N 1.26 3.11 0.72 0.00 0.52 0.43 -0.06 118.94 124.93 2q4s s TRP 77 Ca 0.03 -1.41 -0.11 0.00 0.02 0.00 0.00 56.10 54.63 2q4s s TRP 77 Cb -0.14 -2.13 0.03 0.00 -1.15 0.00 0.00 33.47 30.08 2q4s s TRP 77 CO -0.08 -0.69 1.07 0.20 0.02 0.00 0.00 176.95 177.48 2q4s s GLY 78 N 1.37 1.71 -0.12 0.98 0.00 -1.26 -1.43 107.32 108.58 2q4s s GLY 78 Ca 0.00 0.19 -0.38 0.00 0.00 0.00 0.00 44.72 44.54 2q4s s GLY 78 CO -0.02 0.52 1.66 1.18 0.00 0.00 0.00 173.10 176.44 2q4s n GLU 79 N -3.21 1.43 -0.85 2.90 4.71 -1.26 0.47 120.64 124.84 2q4s n GLU 79 Ca 0.08 0.52 0.00 0.00 -0.01 0.00 0.00 57.16 57.76 2q4s n GLU 79 Cb 0.53 -2.23 0.00 0.00 -1.01 0.00 0.00 31.44 28.73 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 3.77 1.09 3.77 0.62 0.00 0.94 -5.00 105.19 110.38 2q4s n GLY 80 Ca 0.23 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.87 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 -3.76 3.46 0.20 1.61 3.76 0.18 -4.83 115.29 115.90 2q4s s HIS 81 Ca 0.00 1.70 -0.12 0.00 -0.15 0.00 0.00 55.06 56.49 2q4s s HIS 81 Cb 0.00 -3.11 0.00 0.00 1.11 0.00 0.00 32.58 30.58 2q4s s HIS 81 CO 0.00 -0.38 0.39 0.20 -0.85 0.00 0.00 174.74 174.10 2q4s s GLY 82 N -1.40 0.40 0.53 -2.22 0.00 -1.26 -1.67 107.32 101.69 2q4s s GLY 82 Ca 0.52 -0.76 0.00 0.00 0.00 0.00 0.00 44.72 44.49 2q4s s GLY 82 CO 0.30 -0.66 0.76 -1.35 0.00 0.00 0.00 173.10 172.15 2q4s s SER 83 N -2.97 5.42 -0.22 1.64 1.04 -1.11 -4.78 113.70 112.72 2q4s s SER 83 Ca 0.18 0.11 -0.10 0.00 0.48 0.00 0.00 55.95 56.62 2q4s s SER 83 Cb 0.01 -1.09 -0.05 0.00 0.10 0.00 0.00 66.02 64.99 2q4s s SER 83 CO 0.02 -1.04 0.14 -0.94 0.98 0.00 0.00 173.24 172.40 2q4s s SER 84 N -4.37 6.01 -0.13 7.02 1.04 -1.26 -4.87 113.70 117.14 2q4s s SER 84 Ca 0.55 0.11 -0.12 0.00 0.48 0.00 0.00 55.95 56.96 2q4s s SER 84 Cb -0.10 -2.07 -0.05 0.00 0.10 0.00 0.00 66.02 63.89 2q4s s SER 84 CO 0.39 0.10 0.45 -0.38 0.98 0.00 0.00 173.24 174.77 2q4s n ILE 85 N 4.07 0.00 -4.22 -1.02 5.41 -1.26 -4.58 119.36 117.75 2q4s n ILE 85 Ca -0.15 0.00 -0.15 0.00 1.00 0.00 0.00 62.75 63.44 2q4s n ILE 85 Cb 0.52 -0.13 -0.09 0.00 -0.71 0.00 0.00 39.64 39.23 2q4s n ILE 85 CO 0.00 0.00 0.00 -1.38 0.00 0.00 0.00 176.55 175.17 2q4s s HIS 86 N 0.92 1.37 0.04 1.39 -3.43 -0.88 0.71 115.29 115.41 2q4s s HIS 86 Ca 0.29 -1.47 0.00 0.00 -0.80 0.00 0.00 55.06 53.08 2q4s s HIS 86 Cb -0.40 -0.57 0.00 0.00 -1.43 0.00 0.00 32.58 30.18 2q4s s HIS 86 CO 0.21 -0.77 0.03 -0.40 -2.00 0.00 0.00 174.74 171.80 2q4s n ASP 87 N -0.86 1.25 -1.29 7.38 5.68 -0.96 -3.62 116.55 124.12 2q4s n ASP 87 Ca 0.04 -1.14 0.04 0.00 -0.50 0.00 0.00 54.79 53.23 2q4s n ASP 87 Cb 0.64 0.00 0.07 0.00 -1.14 0.00 0.00 41.12 40.69 2q4s n ASP 87 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 2q4s n HIS 88 N -0.53 0.04 -4.01 2.11 8.25 -1.26 -4.65 115.22 115.17 2q4s n HIS 88 Ca -0.00 -0.80 -0.29 0.00 -0.26 0.00 0.00 57.72 56.37 2q4s n HIS 88 Cb 0.05 -0.18 -0.03 0.00 1.12 0.00 0.00 29.99 30.95 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 0.05 -2.92 -1.84 1.59 -1.04 -1.26 -0.79 114.28 108.07 2q4s n THR 89 Ca 0.10 -0.56 -0.15 0.00 -2.04 0.00 0.00 64.05 61.39 2q4s n THR 89 Cb 1.02 -2.47 -0.04 0.00 -1.82 0.00 0.00 70.33 67.02 2q4s n THR 89 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 2q4s n ASP 90 N -2.87 -4.29 -4.54 8.00 8.00 -1.26 -4.94 116.55 114.65 2q4s n ASP 90 Ca -0.28 0.28 -0.26 0.00 0.71 0.00 0.00 54.79 55.24 2q4s n ASP 90 Cb 0.67 -3.79 -0.10 0.00 -0.02 0.00 0.00 41.12 37.88 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 -2.20 4.03 -0.12 -2.24 0.01 0.03 -4.80 113.70 108.41 2q4s s SER 91 Ca 0.00 -0.70 -0.28 0.00 1.31 0.00 0.00 55.95 56.28 2q4s s SER 91 Cb 0.00 -0.58 -0.01 0.00 0.21 0.00 0.00 66.02 65.63 2q4s s SER 91 CO 0.00 0.09 0.93 -1.00 0.41 0.00 0.00 173.24 173.67 2q4s s HIS 92 N -1.86 3.49 -0.12 2.43 3.76 0.55 -4.69 115.29 118.85 2q4s s HIS 92 Ca 0.25 1.47 0.02 0.00 -0.15 0.00 0.00 55.06 56.65 2q4s s HIS 92 Cb -0.08 -3.11 -0.00 0.00 1.11 0.00 0.00 32.58 30.50 2q4s s HIS 92 CO 0.14 -0.21 -0.20 0.00 -0.85 0.00 0.00 174.74 173.62 2q4s s PHE 94 N 0.46 2.34 -0.12 0.00 0.08 0.35 -2.19 117.98 118.89 2q4s s PHE 94 Ca -0.14 -0.39 -0.09 0.00 0.12 0.00 0.00 56.93 56.43 2q4s s PHE 94 Cb -0.17 -1.33 0.03 0.00 -0.57 0.00 0.00 43.02 40.98 2q4s s PHE 94 CO 0.06 0.23 0.30 -1.17 -0.10 0.00 0.00 175.22 174.54 2q4s s LEU 95 N -1.64 0.70 0.08 -0.37 0.20 -0.71 0.81 118.68 117.76 2q4s s LEU 95 Ca 0.13 0.61 0.04 0.00 0.69 0.00 0.00 54.13 55.60 2q4s s LEU 95 Cb -0.10 1.00 -0.03 0.00 -0.43 0.00 0.00 46.19 46.63 2q4s s LEU 95 CO 0.04 -0.12 -0.10 -0.75 -0.29 0.00 0.00 176.35 175.13 2q4s s LYS 96 N 0.46 0.77 -0.31 1.98 2.20 0.20 -1.17 119.74 123.87 2q4s s LYS 96 Ca -0.02 -1.03 -0.17 0.00 -0.36 0.00 0.00 55.97 54.38 2q4s s LYS 96 Cb -0.04 -0.54 -0.02 0.00 -1.51 0.00 0.00 37.83 35.72 2q4s s LYS 96 CO -0.02 0.09 0.48 -0.51 -0.36 0.00 0.00 175.35 175.03 2q4s s LEU 97 N -2.11 4.21 0.09 5.43 2.01 -0.71 -0.42 118.68 127.18 2q4s s LEU 97 Ca 0.01 0.17 0.17 0.00 0.01 0.00 0.00 54.13 54.49 2q4s s LEU 97 Cb -0.06 -2.56 -0.11 0.00 0.01 0.00 0.00 46.19 43.47 2q4s s LEU 97 CO 0.00 -0.36 0.90 -0.07 1.01 0.00 0.00 176.35 177.83 2q4s h LEU 98 N 8.90 0.00 -7.04 1.79 3.38 -1.48 0.90 115.31 121.76 2q4s h LEU 98 Ca -0.29 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.65 2q4s h LEU 98 Cb 1.14 0.00 -0.21 0.00 0.09 0.00 0.00 40.66 41.67 2q4s h LEU 98 CO 0.73 0.52 0.05 -1.58 0.09 0.00 0.00 178.44 178.25 2q4s s GLN 99 N -2.96 0.75 2.22 1.13 0.74 -0.95 -4.75 119.66 115.83 2q4s s GLN 99 Ca -0.02 1.02 0.00 0.00 0.05 0.00 0.00 55.36 56.41 2q4s s GLN 99 Cb 0.09 0.30 0.00 0.00 1.10 0.00 0.00 33.01 34.50 2q4s s GLN 99 CO 0.80 -0.11 0.00 0.41 -0.55 0.00 0.00 175.29 175.84 2q4s n GLY 100 N 3.22 -1.05 3.33 2.59 0.00 -1.26 -2.12 105.19 109.90 2q4s n GLY 100 Ca -0.16 -1.22 -0.17 0.00 0.00 0.00 0.00 46.02 44.47 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 2.12 -0.03 1.61 0.01 -1.26 -1.79 114.94 111.60 2q4s s ASN 101 Ca 0.00 -1.12 -0.03 0.00 -0.71 0.00 0.00 52.86 51.00 2q4s s ASN 101 Cb 0.00 -0.05 0.01 0.00 0.41 0.00 0.00 41.25 41.62 2q4s s ASN 101 CO 0.00 -0.37 0.09 -0.76 -1.51 0.00 0.00 177.10 174.55 2q4s s LEU 102 N -3.30 1.51 -0.34 0.60 1.43 0.17 -4.77 118.68 113.98 2q4s s LEU 102 Ca 0.24 0.18 -0.17 0.00 -1.03 0.00 0.00 54.13 53.35 2q4s s LEU 102 Cb 0.03 0.27 -0.01 0.00 0.03 0.00 0.00 46.19 46.51 2q4s s LEU 102 CO 0.07 -0.05 0.45 -0.75 0.23 0.00 0.00 176.35 176.30 2q4s s LYS 103 N 0.28 3.64 -0.25 1.70 2.20 -0.29 -0.29 119.74 126.73 2q4s s LYS 103 Ca -0.02 -0.22 -0.09 0.00 -0.36 0.00 0.00 55.97 55.28 2q4s s LYS 103 Cb -0.03 -3.79 -0.04 0.00 -1.51 0.00 0.00 37.83 32.46 2q4s s LYS 103 CO -0.01 -0.57 0.13 -2.00 -0.36 0.00 0.00 175.35 172.54 2q4s s GLU 104 N 2.24 3.91 -0.12 4.03 2.12 0.66 -1.31 118.70 130.21 2q4s s GLU 104 Ca 0.16 -0.35 -0.01 0.00 0.36 0.00 0.00 54.97 55.13 2q4s s GLU 104 Cb -0.16 -3.47 -0.02 0.00 0.26 0.00 0.00 34.13 30.74 2q4s s GLU 104 CO 0.12 -0.05 -0.09 0.99 -0.54 0.00 0.00 175.26 175.69 2q4s s THR 105 N 1.33 3.40 -0.02 -1.70 2.01 -1.26 -0.81 115.64 118.58 2q4s s THR 105 Ca 0.06 -0.55 0.01 0.00 0.31 0.00 0.00 61.69 61.52 2q4s s THR 105 Cb -0.15 -2.44 -0.04 0.00 0.01 0.00 0.00 72.50 69.89 2q4s s THR 105 CO 0.06 0.53 0.01 -0.76 -0.69 0.00 0.00 174.62 173.77 2q4s s LEU 106 N 0.12 3.56 0.09 4.42 1.43 -0.28 -3.38 118.68 124.63 2q4s s LEU 106 Ca -0.04 0.04 0.01 0.00 -1.03 0.00 0.00 54.13 53.11 2q4s s LEU 106 Cb -0.14 -2.00 -0.04 0.00 0.03 0.00 0.00 46.19 44.04 2q4s s LEU 106 CO 0.04 0.30 -0.06 -0.36 0.23 0.00 0.00 176.35 176.50 2q4s s PHE 107 N -1.05 0.81 0.33 0.29 0.08 -1.08 -0.26 117.98 117.11 2q4s s PHE 107 Ca 0.18 -0.90 0.02 0.00 0.12 0.00 0.00 56.93 56.35 2q4s s PHE 107 Cb -0.12 -0.48 -0.03 0.00 -0.57 0.00 0.00 43.02 41.82 2q4s s PHE 107 CO 0.09 -0.18 0.51 -0.51 -0.10 0.00 0.00 175.22 175.03 2q4s s ASP 108 N -2.88 6.25 0.42 1.36 1.01 -1.26 -2.39 116.67 119.18 2q4s s ASP 108 Ca 0.09 0.32 -0.26 0.00 0.71 0.00 0.00 52.55 53.41 2q4s s ASP 108 Cb 0.04 -1.91 -0.09 0.00 1.01 0.00 0.00 42.92 41.96 2q4s s ASP 108 CO -0.05 -0.28 1.44 0.79 0.21 0.00 0.00 175.17 177.28 2q4s n TRP 109 N -1.72 2.77 -2.45 4.23 7.02 -1.26 -4.86 117.44 121.17 2q4s n TRP 109 Ca -0.05 0.45 -0.33 0.00 -1.02 0.00 0.00 57.50 56.55 2q4s n TRP 109 Cb 0.57 -2.48 -0.03 0.00 -2.42 0.00 0.00 31.31 26.94 2q4s n TRP 109 CO 0.00 0.00 0.00 -2.14 -2.02 0.00 0.00 177.69 173.53 2q4s s PRO 110 N -2.31 3.89 0.09 -0.99 0.02 -1.26 -5.09 135.00 129.34 2q4s s PRO 110 Ca 0.58 1.09 -0.01 0.00 0.02 0.00 0.00 61.00 62.69 2q4s s PRO 110 Cb -0.46 -2.12 0.02 0.00 0.02 0.00 0.00 34.50 31.95 2q4s s PRO 110 CO 0.60 -0.33 0.12 -0.25 -0.33 0.00 0.00 177.00 176.81 2q4s n ASP 111 N -1.36 0.10 -0.05 2.53 8.00 -1.26 -5.04 116.55 119.47 2q4s n ASP 111 Ca 0.07 -1.10 -0.12 0.00 0.71 0.00 0.00 54.79 54.35 2q4s n ASP 111 Cb 0.54 -0.09 -0.11 0.00 -0.02 0.00 0.00 41.12 41.44 2q4s n ASP 111 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 2q4s h LYS 112 N 0.00 -0.02 -6.41 -1.24 1.79 -1.98 -3.45 116.57 105.27 2q4s h LYS 112 Ca -0.04 0.00 -0.63 0.00 -2.18 0.00 0.00 60.65 57.80 2q4s h LYS 112 Cb 0.13 0.00 0.07 0.00 -1.58 0.00 0.00 32.23 30.86 2q4s h LYS 112 CO 0.04 0.77 0.43 1.63 -1.08 0.00 0.00 179.45 181.25 2q4s n LYS 113 N -4.69 1.49 -2.26 3.15 4.76 -1.26 -4.86 118.16 114.49 2q4s n LYS 113 Ca -0.09 0.53 -0.41 0.00 -2.87 0.00 0.00 58.31 55.47 2q4s n LYS 113 Cb 0.39 -2.11 -0.03 0.00 -1.84 0.00 0.00 35.03 31.43 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 0.22 6.95 0.07 4.39 0.15 -1.26 -4.96 113.70 119.27 2q4s s SER 114 Ca 0.74 2.37 -0.26 0.00 0.70 0.00 0.00 55.95 59.50 2q4s s SER 114 Cb -0.80 -2.61 0.09 0.00 -1.71 0.00 0.00 66.02 60.99 2q4s s SER 114 CO 0.50 -0.47 0.81 0.20 1.20 0.00 0.00 173.24 175.47 2q4s s ASN 115 N 0.18 -0.39 0.00 5.45 0.01 -1.21 -4.99 114.94 113.99 2q4s s ASN 115 Ca 0.55 -0.07 0.00 0.00 -0.71 0.00 0.00 52.86 52.62 2q4s s ASN 115 Cb -0.36 0.47 0.00 0.00 0.41 0.00 0.00 41.25 41.77 2q4s s ASN 115 CO 0.39 -0.78 0.00 1.21 -1.51 0.00 0.00 177.10 176.41 2q4s n GLU 116 N -0.32 2.95 -3.68 -0.60 4.07 -1.18 -3.07 120.64 118.81 2q4s n GLU 116 Ca -0.10 0.00 -0.09 0.00 -0.06 0.00 0.00 57.16 56.90 2q4s n GLU 116 Cb 0.62 0.00 -0.10 0.00 -0.06 0.00 0.00 31.44 31.90 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 -0.23 1.08 6.31 -1.09 -1.26 -5.01 121.20 121.01 2q4s s ILE 118 Ca 0.00 0.11 -0.12 0.00 -2.23 0.00 0.00 60.65 58.40 2q4s s ILE 118 Cb 0.00 -0.67 0.24 0.00 -1.58 0.00 0.00 42.46 40.45 2q4s s ILE 118 CO 0.00 0.04 1.06 -1.59 -1.23 0.00 0.00 174.94 173.22 2q4s s LYS 119 N 1.81 -0.29 0.00 2.79 -2.85 -1.26 -4.35 119.74 115.59 2q4s s LYS 119 Ca -0.07 0.88 0.00 0.00 -1.00 0.00 0.00 55.97 55.77 2q4s s LYS 119 Cb -0.09 -1.62 0.00 0.00 -2.06 0.00 0.00 37.83 34.05 2q4s s LYS 119 CO -0.14 -3.31 0.00 0.36 0.10 0.00 0.00 175.35 172.36 2q4s n LYS 120 N -4.63 2.77 -3.63 1.78 2.85 0.65 -4.94 118.16 113.00 2q4s n LYS 120 Ca 0.05 0.00 0.03 0.00 -1.05 0.00 0.00 58.31 57.34 2q4s n LYS 120 Cb 0.54 -0.78 -0.00 0.00 -0.65 0.00 0.00 35.03 34.14 2q4s n LYS 120 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 177.40 175.81 2q4s s SER 121 N -1.54 -0.02 -0.27 -5.58 1.04 -1.23 -5.02 113.70 101.07 2q4s s SER 121 Ca 0.00 -0.07 -0.20 0.00 0.48 0.00 0.00 55.95 56.17 2q4s s SER 121 Cb 0.00 0.07 0.07 0.00 0.10 0.00 0.00 66.02 66.27 2q4s s SER 121 CO 0.00 -0.13 0.69 -1.83 0.98 0.00 0.00 173.24 172.95 2q4s s GLU 122 N -2.16 0.75 0.22 4.02 -1.05 -1.26 -1.13 118.70 118.09 2q4s s GLU 122 Ca 0.17 1.11 0.06 0.00 -0.15 0.00 0.00 54.97 56.15 2q4s s GLU 122 Cb 0.06 0.25 -0.05 0.00 -0.44 0.00 0.00 34.13 33.95 2q4s s GLU 122 CO -0.05 -0.13 -0.07 -0.98 0.95 0.00 0.00 175.26 174.98 2q4s s ARG 123 N 1.07 1.35 -0.34 -4.83 1.70 0.01 -4.99 118.95 112.91 2q4s s ARG 123 Ca -0.06 -1.65 0.00 0.00 -0.47 0.00 0.00 55.73 53.56 2q4s s ARG 123 Cb -0.05 -0.89 0.09 0.00 -0.57 0.00 0.00 34.95 33.53 2q4s s ARG 123 CO -0.10 0.04 0.07 0.99 -1.08 0.00 0.00 175.30 175.21 2q4s s THR 124 N -3.18 2.75 0.26 4.99 2.01 -1.26 -0.25 115.64 120.95 2q4s s THR 124 Ca 0.25 -1.96 -0.30 0.00 0.31 0.00 0.00 61.69 60.00 2q4s s THR 124 Cb 0.03 -2.83 -0.09 0.00 0.01 0.00 0.00 72.50 69.62 2q4s s THR 124 CO 0.08 -0.45 1.05 -0.76 -0.69 0.00 0.00 174.62 173.84 2q4s s LEU 125 N 1.08 4.58 0.43 4.42 1.43 0.61 -4.87 118.68 126.35 2q4s s LEU 125 Ca 0.04 2.15 0.05 0.00 -1.03 0.00 0.00 54.13 55.34 2q4s s LEU 125 Cb -0.21 -3.62 -0.06 0.00 0.03 0.00 0.00 46.19 42.33 2q4s s LEU 125 CO -0.05 -0.05 0.01 -0.13 0.23 0.00 0.00 176.35 176.36 2q4s s ARG 126 N -1.25 1.99 0.07 1.70 0.52 -1.26 -0.65 118.95 120.07 2q4s s ARG 126 Ca 0.44 -2.16 -0.37 0.00 -0.52 0.00 0.00 55.73 53.12 2q4s s ARG 126 Cb -0.30 -1.55 -0.18 0.00 0.52 0.00 0.00 34.95 33.44 2q4s s ARG 126 CO 0.37 -0.13 1.04 0.39 0.02 0.00 0.00 175.30 176.99 2q4s n GLU 127 N -1.02 0.35 -0.59 3.54 1.02 -0.74 -0.64 120.64 122.56 2q4s n GLU 127 Ca -0.08 0.13 0.00 0.00 -0.02 0.00 0.00 57.16 57.19 2q4s n GLU 127 Cb 0.67 -1.57 0.00 0.00 -0.02 0.00 0.00 31.44 30.52 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 1.81 0.00 -4.58 1.62 3.02 0.31 -4.96 115.26 112.48 2q4s n ASN 128 Ca 0.19 0.00 -0.29 0.00 -0.03 0.00 0.00 54.58 54.45 2q4s n ASN 128 Cb 0.15 -0.71 0.21 0.00 -0.61 0.00 0.00 39.78 38.82 2q4s n ASN 128 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 2q4s s GLN 129 N -0.23 -0.13 -0.06 3.52 -0.21 0.19 -4.60 119.66 118.15 2q4s s GLN 129 Ca 0.00 0.88 0.00 0.00 0.02 0.00 0.00 55.36 56.26 2q4s s GLN 129 Cb 0.00 -1.64 0.02 0.00 1.00 0.00 0.00 33.01 32.39 2q4s s GLN 129 CO 0.00 -3.21 -0.04 0.00 -2.12 0.00 0.00 175.29 169.93 2q4s s ALA 131 N 1.20 1.63 -0.06 0.00 0.00 -0.32 -5.03 121.76 119.18 2q4s s ALA 131 Ca -0.07 -1.37 -0.03 0.00 0.00 0.00 0.00 51.96 50.50 2q4s s ALA 131 Cb -0.14 -0.09 0.04 0.00 0.00 0.00 0.00 23.12 22.93 2q4s s ALA 131 CO -0.02 0.12 0.14 -0.47 0.00 0.00 0.00 175.76 175.53 2q4s s TYR 132 N -2.24 -0.15 0.21 0.00 6.14 -1.26 -1.73 117.35 118.31 2q4s s TYR 132 Ca 0.12 0.47 0.10 0.00 0.64 0.00 0.00 57.07 58.40 2q4s s TYR 132 Cb -0.04 -0.12 -0.05 0.00 0.42 0.00 0.00 41.96 42.17 2q4s s TYR 132 CO 0.04 -0.17 -0.20 -1.50 0.64 0.00 0.00 175.55 174.35 2q4s s ILE 133 N 1.31 2.14 -0.19 3.14 2.07 -0.93 -5.05 121.20 123.69 2q4s s ILE 133 Ca -0.08 -2.12 -0.27 0.00 -1.41 0.00 0.00 60.65 56.77 2q4s s ILE 133 Cb -0.12 -2.08 0.08 0.00 0.13 0.00 0.00 42.46 40.47 2q4s s ILE 133 CO -0.06 -0.32 0.74 0.54 -1.91 0.00 0.00 174.94 173.94 2q4s s ASN 134 N -2.98 -0.68 0.60 4.50 2.20 -1.26 -3.01 114.94 114.32 2q4s s ASN 134 Ca 0.22 1.10 0.28 0.00 -0.94 0.00 0.00 52.86 53.51 2q4s s ASN 134 Cb -0.06 1.04 1.25 0.00 -2.00 0.00 0.00 41.25 41.48 2q4s s ASN 134 CO 0.10 -0.37 1.66 0.44 -2.94 0.00 0.00 177.10 175.98 2q4s h ASP 135 N 4.11 0.00 -0.05 3.54 3.32 -1.84 0.29 116.42 125.80 2q4s h ASP 135 Ca -0.28 0.00 0.01 0.00 0.02 0.00 0.00 57.03 56.78 2q4s h ASP 135 Cb 1.15 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.69 2q4s h ASP 135 CO 0.19 0.00 -0.02 0.28 -1.72 0.00 0.00 179.24 177.97 2q4s h SER 136 N 0.00 -0.07 -0.32 6.45 0.02 -1.99 -2.56 113.55 115.09 2q4s h SER 136 Ca 0.30 0.02 -0.07 0.00 -0.84 0.00 0.00 61.79 61.20 2q4s h SER 136 Cb 1.83 0.04 -0.02 0.00 0.14 0.00 0.00 62.40 64.39 2q4s h SER 136 CO -0.00 -0.03 -0.03 0.40 -1.14 0.00 0.00 176.83 176.03 2q4s h ILE 137 N -0.02 1.23 0.00 3.27 2.04 -0.85 -3.49 117.51 119.70 2q4s h ILE 137 Ca 0.03 -0.98 0.00 0.00 1.00 0.00 0.00 64.86 64.91 2q4s h ILE 137 Cb 0.06 0.95 0.00 0.00 -0.74 0.00 0.00 36.82 37.08 2q4s h ILE 137 CO -0.06 0.34 0.00 0.61 0.00 0.00 0.00 178.15 179.04 2q4s n GLY 138 N -0.67 0.71 3.08 5.37 0.00 -0.92 -4.84 105.19 107.92 2q4s n GLY 138 Ca 0.02 -1.89 -0.13 0.00 0.00 0.00 0.00 46.02 44.01 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 2.28 0.00 0.99 1.43 -1.00 -3.93 118.68 118.44 2q4s s LEU 139 Ca 0.00 -0.59 0.00 0.00 -1.03 0.00 0.00 54.13 52.51 2q4s s LEU 139 Cb 0.00 -0.20 0.00 0.00 0.03 0.00 0.00 46.19 46.02 2q4s s LEU 139 CO 0.00 -0.21 0.00 0.00 0.23 0.00 0.00 176.35 176.37 2q4s n HIS 140 N 1.32 0.00 -2.04 0.29 1.44 -1.24 -2.62 115.22 112.37 2q4s n HIS 140 Ca -0.22 0.00 -0.03 0.00 -2.01 0.00 0.00 57.72 55.46 2q4s n HIS 140 Cb 0.55 0.00 -0.03 0.00 0.12 0.00 0.00 29.99 30.63 2q4s n HIS 140 CO 0.00 0.00 0.00 -2.13 -2.81 0.00 0.00 176.34 171.40 2q4s n ARG 141 N 0.00 0.00 0.00 -1.40 0.63 -1.22 -2.07 116.66 112.60 2q4s n ARG 141 Ca 0.00 -0.73 0.00 0.00 -0.92 0.00 0.00 57.85 56.20 2q4s n ARG 141 Cb 0.00 0.21 0.00 0.00 0.45 0.00 0.00 32.46 33.12 2q4s n ARG 141 CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 2q4s n VAL 142 N 0.04 0.00 -4.04 5.15 0.31 -1.26 -3.80 118.33 114.74 2q4s n VAL 142 Ca -0.13 0.00 -0.10 0.00 -0.01 0.00 0.00 64.34 64.10 2q4s n VAL 142 Cb 0.67 0.00 -0.11 0.00 -0.91 0.00 0.00 33.84 33.49 2q4s n VAL 142 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 2q4s s GLU 143 N 0.00 0.48 -0.57 5.55 2.02 -0.43 -2.75 118.70 123.00 2q4s s GLU 143 Ca 0.00 -0.81 -0.15 0.00 0.02 0.00 0.00 54.97 54.03 2q4s s GLU 143 Cb 0.00 -0.05 0.14 0.00 0.10 0.00 0.00 34.13 34.32 2q4s s GLU 143 CO 0.00 -0.02 0.52 1.21 0.02 0.00 0.00 175.26 176.99 2q4s s ASN 144 N -1.83 6.22 0.00 -0.19 3.84 -0.67 -1.14 114.94 121.16 2q4s s ASN 144 Ca -0.08 -1.91 0.25 0.00 0.21 0.00 0.00 52.86 51.32 2q4s s ASN 144 Cb -0.06 -2.19 0.49 0.00 -0.55 0.00 0.00 41.25 38.94 2q4s s ASN 144 CO -0.02 -0.81 1.40 1.33 -2.79 0.00 0.00 177.10 176.21 2q4s n VAL 145 N 5.06 0.00 -1.71 -5.21 0.24 -1.26 -0.04 118.33 115.41 2q4s n VAL 145 Ca -0.10 -0.05 -0.38 0.00 -2.04 0.00 0.00 64.34 61.77 2q4s n VAL 145 Cb 0.41 0.40 0.06 0.00 -1.47 0.00 0.00 33.84 33.24 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 -1.18 1.98 -0.00 -1.34 2.88 -1.26 -4.65 113.62 110.04 2q4s n SER 146 Ca 0.08 0.87 0.10 0.00 -1.33 0.00 0.00 58.87 58.58 2q4s n SER 146 Cb 0.34 -1.53 -0.13 0.00 -0.75 0.00 0.00 64.21 62.15 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 -1.61 0.00 0.00 0.66 8.25 -1.26 -3.08 115.22 118.18 2q4s n HIS 147 Ca 0.14 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.60 2q4s n HIS 147 Cb 0.47 -0.15 0.00 0.00 1.12 0.00 0.00 29.99 31.43 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 -1.71 0.00 -5.06 1.59 -2.24 -1.26 -4.95 114.28 100.66 2q4s n THR 148 Ca 0.01 0.00 -0.32 0.00 -2.27 0.00 0.00 64.05 61.47 2q4s n THR 148 Cb 0.39 -0.15 -0.15 0.00 -2.10 0.00 0.00 70.33 68.31 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 -1.86 2.66 1.00 -0.78 0.41 -1.26 -5.06 118.70 113.81 2q4s s GLU 149 Ca 0.00 -0.80 -0.12 0.00 -0.41 0.00 0.00 54.97 53.64 2q4s s GLU 149 Cb 0.00 -2.31 0.19 0.00 -1.78 0.00 0.00 34.13 30.22 2q4s s GLU 149 CO 0.00 0.44 1.10 -1.25 -0.49 0.00 0.00 175.26 175.06 2q4s s PRO 150 N -0.28 0.44 0.02 0.39 0.04 -1.26 -4.60 135.00 129.75 2q4s s PRO 150 Ca 0.01 0.46 0.06 0.00 0.04 0.00 0.00 61.00 61.58 2q4s s PRO 150 Cb -0.13 -1.74 -0.02 0.00 0.04 0.00 0.00 34.50 32.65 2q4s s PRO 150 CO 0.03 -2.72 -0.19 0.00 0.04 0.00 0.00 177.00 174.16 2q4s s ALA 151 N -3.01 1.63 -0.06 8.56 0.00 -0.51 -4.35 121.76 124.02 2q4s s ALA 151 Ca 0.65 -0.94 -0.02 0.00 0.00 0.00 0.00 51.96 51.65 2q4s s ALA 151 Cb -0.18 -0.35 0.04 0.00 0.00 0.00 0.00 23.12 22.63 2q4s s ALA 151 CO 0.57 0.37 0.11 0.08 0.00 0.00 0.00 175.76 176.90 2q4s s VAL 152 N -0.67 -0.13 0.15 0.00 1.01 -0.90 -0.43 120.40 119.44 2q4s s VAL 152 Ca 0.07 0.28 0.07 0.00 0.00 0.00 0.00 61.98 62.40 2q4s s VAL 152 Cb -0.08 -0.21 -0.04 0.00 0.00 0.00 0.00 36.38 36.05 2q4s s VAL 152 CO 0.01 0.12 -0.16 -0.94 0.00 0.00 0.00 175.10 174.13 2q4s s SER 153 N 1.66 2.33 -0.24 3.32 1.04 -0.00 -1.17 113.70 120.63 2q4s s SER 153 Ca -0.03 -0.86 -0.04 0.00 0.48 0.00 0.00 55.95 55.50 2q4s s SER 153 Cb -0.12 -0.11 0.01 0.00 0.10 0.00 0.00 66.02 65.89 2q4s s SER 153 CO -0.05 -0.11 -0.02 -0.22 0.98 0.00 0.00 173.24 173.82 2q4s s LEU 154 N -2.67 3.17 0.11 2.42 2.96 0.44 -0.81 118.68 124.30 2q4s s LEU 154 Ca 0.14 -0.60 0.04 0.00 -0.22 0.00 0.00 54.13 53.49 2q4s s LEU 154 Cb -0.04 -1.74 -0.04 0.00 0.50 0.00 0.00 46.19 44.86 2q4s s LEU 154 CO 0.05 -0.09 0.07 -1.00 -1.32 0.00 0.00 176.35 174.07 2q4s s HIS 155 N 1.44 3.12 -0.06 5.38 3.76 -1.26 0.58 115.29 128.25 2q4s s HIS 155 Ca 0.04 0.02 0.01 0.00 -0.15 0.00 0.00 55.06 54.97 2q4s s HIS 155 Cb -0.16 -1.56 0.02 0.00 1.11 0.00 0.00 32.58 32.00 2q4s s HIS 155 CO -0.03 0.51 -0.05 -1.17 -0.85 0.00 0.00 174.74 173.16 2q4s s LEU 156 N -2.61 1.20 -0.05 0.89 0.20 0.24 -4.41 118.68 114.14 2q4s s LEU 156 Ca 0.29 -0.15 0.03 0.00 0.69 0.00 0.00 54.13 54.99 2q4s s LEU 156 Cb -0.11 -0.52 0.01 0.00 -0.43 0.00 0.00 46.19 45.14 2q4s s LEU 156 CO 0.21 -0.08 -0.12 -0.31 -0.29 0.00 0.00 176.35 175.76 2q4s s TYR 157 N 1.17 1.38 -0.18 5.38 2.02 -0.63 0.13 117.35 126.61 2q4s s TYR 157 Ca -0.07 -0.46 -0.07 0.00 -0.37 0.00 0.00 57.07 56.11 2q4s s TYR 157 Cb -0.14 -0.99 0.08 0.00 -0.40 0.00 0.00 41.96 40.51 2q4s s TYR 157 CO -0.01 -0.22 0.39 0.45 -1.57 0.00 0.00 175.55 174.59 2q4s s SER 158 N 0.47 -0.18 0.77 2.29 0.15 -0.16 -1.17 113.70 115.88 2q4s s SER 158 Ca -0.10 0.91 -0.11 0.00 0.70 0.00 0.00 55.95 57.35 2q4s s SER 158 Cb -0.14 1.17 0.06 0.00 -1.71 0.00 0.00 66.02 65.40 2q4s s SER 158 CO 0.03 -0.23 1.10 -2.84 1.20 0.00 0.00 173.24 172.50 2q4s s PRO 159 N 2.44 2.19 0.76 5.44 0.02 -1.26 -0.33 135.00 144.26 2q4s s PRO 159 Ca -0.02 1.23 -0.12 0.00 0.02 0.00 0.00 61.00 62.11 2q4s s PRO 159 Cb -0.12 -1.89 0.05 0.00 0.02 0.00 0.00 34.50 32.57 2q4s s PRO 159 CO -0.12 -1.70 1.12 -2.14 -0.33 0.00 0.00 177.00 173.83 2q4s s PRO 160 N -4.79 2.21 0.05 5.54 0.02 -1.25 -4.80 135.00 131.97 2q4s s PRO 160 Ca 0.62 1.36 -0.05 0.00 0.02 0.00 0.00 61.00 62.96 2q4s s PRO 160 Cb -0.18 -1.88 -0.02 0.00 0.02 0.00 0.00 34.50 32.44 2q4s s PRO 160 CO 0.55 -1.71 0.08 -0.59 -0.33 0.00 0.00 177.00 175.00 2q4s s PHE 161 N -2.59 0.26 -0.71 6.54 -0.12 -1.26 -5.04 117.98 115.06 2q4s s PHE 161 Ca 0.65 -0.63 0.13 0.00 -0.05 0.00 0.00 56.93 57.03 2q4s s PHE 161 Cb -0.20 -0.18 -0.12 0.00 -0.63 0.00 0.00 43.02 41.88 2q4s s PHE 161 CO 0.51 -0.39 0.59 -0.40 -0.05 0.00 0.00 175.22 175.48 2q4s n ASP 162 N 0.55 0.75 -4.08 1.98 5.68 -1.26 -5.02 116.55 115.14 2q4s n ASP 162 Ca -0.18 -0.87 -0.08 0.00 -0.50 0.00 0.00 54.79 53.16 2q4s n ASP 162 Cb 0.59 0.92 -0.10 0.00 -1.14 0.00 0.00 41.12 41.40 2q4s n ASP 162 CO 0.00 0.00 0.00 0.42 -1.33 0.00 0.00 177.20 176.29 2q4s s THR 163 N -2.14 0.17 0.11 2.12 -4.23 -1.26 -4.61 115.64 105.79 2q4s s THR 163 Ca 0.06 -1.76 -0.01 0.00 -1.18 0.00 0.00 61.69 58.79 2q4s s THR 163 Cb 0.10 -1.69 0.01 0.00 1.34 0.00 0.00 72.50 72.26 2q4s s THR 163 CO 0.50 -0.76 0.16 0.00 -0.54 0.00 0.00 174.62 173.99 2q4s s HIS 165 N -4.85 2.28 -0.03 0.00 3.76 -1.26 -0.75 115.29 114.44 2q4s s HIS 165 Ca 0.08 -0.42 0.01 0.00 -0.15 0.00 0.00 55.06 54.58 2q4s s HIS 165 Cb -0.01 -1.40 -0.03 0.00 1.11 0.00 0.00 32.58 32.25 2q4s s HIS 165 CO 0.06 0.08 -0.01 0.00 -0.85 0.00 0.00 174.74 174.02 2q4s s ALA 166 N -0.75 3.25 -0.03 -1.40 0.00 0.07 -2.26 121.76 120.65 2q4s s ALA 166 Ca 0.11 -0.91 0.08 0.00 0.00 0.00 0.00 51.96 51.24 2q4s s ALA 166 Cb -0.10 -1.36 -0.02 0.00 0.00 0.00 0.00 23.12 21.64 2q4s s ALA 166 CO 0.01 0.63 -0.25 -0.06 0.00 0.00 0.00 175.76 176.08 2q4s s PHE 167 N -1.01 2.36 -0.22 0.00 0.08 0.22 -0.65 117.98 118.76 2q4s s PHE 167 Ca 0.17 -0.47 -0.27 0.00 0.12 0.00 0.00 56.93 56.49 2q4s s PHE 167 Cb -0.11 -1.52 -0.00 0.00 -0.57 0.00 0.00 43.02 40.82 2q4s s PHE 167 CO 0.07 -0.05 0.93 0.34 -0.10 0.00 0.00 175.22 176.41 2q4s s ASP 168 N -0.56 6.99 0.57 1.36 2.15 0.17 -4.34 116.67 123.01 2q4s s ASP 168 Ca 0.08 1.23 0.31 0.00 0.43 0.00 0.00 52.55 54.60 2q4s s ASP 168 Cb -0.11 -2.49 1.75 0.00 -0.30 0.00 0.00 42.92 41.78 2q4s s ASP 168 CO -0.00 -0.56 2.20 -0.61 -0.17 0.00 0.00 175.17 176.03 2q4s h GLN 169 N 7.50 0.00 0.00 4.34 4.15 -1.93 0.59 115.11 129.76 2q4s h GLN 169 Ca -0.23 0.00 -0.07 0.00 0.77 0.00 0.00 58.65 59.12 2q4s h GLN 169 Cb 1.09 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.77 2q4s h GLN 169 CO 0.91 0.04 -0.69 0.00 -1.93 0.00 0.00 178.83 177.17 2q4s h ARG 170 N 0.00 0.00 0.00 1.69 2.47 -1.92 -3.37 114.38 113.25 2q4s h ARG 170 Ca -0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 2q4s h ARG 170 Cb 0.14 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.46 2q4s h ARG 170 CO 0.01 0.24 -0.80 0.25 0.56 0.00 0.00 179.97 180.22 2q4s n THR 171 N -3.01 0.00 -0.82 2.04 -2.24 -1.02 -3.11 114.28 106.12 2q4s n THR 171 Ca -0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 2q4s n THR 171 Cb 0.67 0.36 0.00 0.00 -2.10 0.00 0.00 70.33 69.26 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 2.02 0.95 3.67 3.38 0.00 0.20 -3.32 105.19 112.09 2q4s n GLY 172 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 2q4s n GLY 172 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2q4s s HIS 173 N -3.66 2.10 0.25 1.61 3.76 -1.24 -4.66 115.29 113.46 2q4s s HIS 173 Ca 0.00 1.15 -0.10 0.00 -0.15 0.00 0.00 55.06 55.97 2q4s s HIS 173 Cb 0.00 -3.20 -0.01 0.00 1.11 0.00 0.00 32.58 30.48 2q4s s HIS 173 CO 0.00 -2.78 0.42 -1.59 -0.85 0.00 0.00 174.74 169.94 2q4s s LYS 174 N -4.89 1.54 0.11 1.40 -2.85 -1.26 0.42 119.74 114.21 2q4s s LYS 174 Ca 0.65 -1.37 -0.24 0.00 -1.00 0.00 0.00 55.97 54.00 2q4s s LYS 174 Cb -0.19 0.44 0.07 0.00 -2.06 0.00 0.00 37.83 36.08 2q4s s LYS 174 CO 0.58 -0.62 0.60 0.54 0.10 0.00 0.00 175.35 176.55 2q4s s ASN 175 N -3.07 -0.56 0.73 0.03 4.22 0.18 -4.96 114.94 111.51 2q4s s ASN 175 Ca 0.26 0.13 -0.14 0.00 -2.14 0.00 0.00 52.86 50.97 2q4s s ASN 175 Cb 0.01 0.58 0.04 0.00 1.28 0.00 0.00 41.25 43.15 2q4s s ASN 175 CO 0.11 -0.88 1.15 -0.75 -2.04 0.00 0.00 177.10 174.69 2q4s s LYS 176 N -3.20 2.26 -0.07 3.55 2.20 -1.26 -0.75 119.74 122.48 2q4s s LYS 176 Ca -0.02 1.55 -0.03 0.00 -0.36 0.00 0.00 55.97 57.11 2q4s s LYS 176 Cb -0.01 -1.87 0.04 0.00 -1.51 0.00 0.00 37.83 34.48 2q4s s LYS 176 CO -0.08 -1.70 0.14 0.08 -0.36 0.00 0.00 175.35 173.43 2q4s s VAL 177 N -2.28 -0.11 0.00 4.02 1.01 0.07 -4.75 120.40 118.36 2q4s s VAL 177 Ca 0.69 0.24 0.00 0.00 0.00 0.00 0.00 61.98 62.91 2q4s s VAL 177 Cb -0.24 -0.24 0.00 0.00 0.00 0.00 0.00 36.38 35.90 2q4s s VAL 177 CO 0.46 0.10 0.00 0.41 0.00 0.00 0.00 175.10 176.07 2q4s n THR 178 N 4.53 0.00 0.00 3.92 -1.04 -1.26 -1.72 114.28 118.71 2q4s n THR 178 Ca -0.20 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.81 2q4s n THR 178 Cb 0.51 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.02 2q4s n THR 178 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 2q4s n THR 180 N 0.00 0.00 -4.05 12.58 -2.24 -1.26 -4.98 114.28 114.33 2q4s n THR 180 Ca 0.00 0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 61.42 2q4s n THR 180 Cb 0.00 0.00 -0.08 0.00 -2.10 0.00 0.00 70.33 68.15 2q4s n THR 180 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 2q4s s PHE 181 N -2.00 3.37 0.14 4.78 0.08 -1.26 -4.66 117.98 118.42 2q4s s PHE 181 Ca 0.00 0.31 -0.01 0.00 0.12 0.00 0.00 56.93 57.35 2q4s s PHE 181 Cb 0.00 -1.94 -0.09 0.00 -0.57 0.00 0.00 43.02 40.43 2q4s s PHE 181 CO 0.00 0.50 1.31 1.25 -0.10 0.00 0.00 175.22 178.18 2q4s h HIS 182 N 5.51 0.42 -3.45 0.36 -0.00 -0.46 -3.43 115.15 114.09 2q4s h HIS 182 Ca -0.49 -0.24 -0.05 0.00 -0.00 0.00 0.00 60.37 59.59 2q4s h HIS 182 Cb 1.20 -0.04 -0.12 0.00 -0.00 0.00 0.00 27.41 28.45 2q4s h HIS 182 CO 0.66 1.08 -0.08 -1.54 -0.00 0.00 0.00 177.93 178.05 2q4s s SER 183 N -7.01 -0.18 -0.03 3.26 1.04 -1.21 -1.42 113.70 108.15 2q4s s SER 183 Ca -0.04 -0.49 -0.00 0.00 0.48 0.00 0.00 55.95 55.90 2q4s s SER 183 Cb 0.09 0.50 0.03 0.00 0.10 0.00 0.00 66.02 66.74 2q4s s SER 183 CO 0.85 -0.93 0.03 -0.54 0.98 0.00 0.00 173.24 173.62 2q4s s LYS 184 N -3.86 0.08 -1.50 4.02 1.02 0.86 -1.00 119.74 119.35 2q4s s LYS 184 Ca 0.08 0.18 -0.12 0.00 0.02 0.00 0.00 55.97 56.13 2q4s s LYS 184 Cb 0.01 -0.38 0.08 0.00 -0.52 0.00 0.00 37.83 37.02 2q4s s LYS 184 CO -0.06 -0.19 0.88 1.19 -0.92 0.00 0.00 175.35 176.25 2q4s n PHE 185 N 4.38 -2.21 -0.37 3.18 3.72 -0.10 -0.75 117.46 125.32 2q4s n PHE 185 Ca -0.23 0.81 0.00 0.00 -0.05 0.00 0.00 57.45 57.98 2q4s n PHE 185 Cb 0.50 -3.87 0.00 0.00 -0.94 0.00 0.00 39.48 35.17 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 -1.61 1.76 3.59 1.37 0.00 -1.26 -5.02 105.19 104.02 2q4s n GLY 186 Ca 0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.68 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 -3.18 4.90 0.27 -0.61 -1.09 0.07 -4.94 121.20 116.62 2q4s s ILE 187 Ca 0.00 0.02 -0.30 0.00 -2.23 0.00 0.00 60.65 58.14 2q4s s ILE 187 Cb 0.00 -3.27 -0.11 0.00 -1.58 0.00 0.00 42.46 37.51 2q4s s ILE 187 CO 0.00 0.37 1.50 -0.60 -1.23 0.00 0.00 174.94 174.98 2q4s s ARG 188 N 1.05 4.21 -0.54 2.79 6.06 -1.26 -0.10 118.95 131.15 2q4s s ARG 188 Ca 0.06 2.42 0.04 0.00 -2.50 0.00 0.00 55.73 55.74 2q4s s ARG 188 Cb -0.14 -3.07 0.16 0.00 0.06 0.00 0.00 34.95 31.96 2q4s s ARG 188 CO 0.04 -0.51 0.37 0.95 -2.50 0.00 0.00 175.30 173.65 2q4s s THR 189 N -0.02 1.74 -2.00 4.11 -4.23 -0.51 -4.87 115.64 109.85 2q4s s THR 189 Ca 0.61 -3.31 0.05 0.00 -1.18 0.00 0.00 61.69 57.85 2q4s s THR 189 Cb -0.44 -2.17 0.15 0.00 1.34 0.00 0.00 72.50 71.37 2q4s s THR 189 CO 0.45 -1.04 0.78 -2.65 -0.54 0.00 0.00 174.62 171.63