#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 4.47 0.28 -4.62 1.43 -1.26 -5.04 118.68 113.94 2q4s s LEU 6 Ca 0.00 -0.49 0.06 0.00 -1.03 0.00 0.00 54.13 52.67 2q4s s LEU 6 Cb 0.00 -2.71 -0.02 0.00 0.03 0.00 0.00 46.19 43.49 2q4s s LEU 6 CO 0.00 -0.99 0.39 -0.76 0.23 0.00 0.00 176.35 175.22 2q4s s LEU 7 N 3.22 4.16 0.09 1.79 1.43 -1.26 -5.05 118.68 123.06 2q4s s LEU 7 Ca 0.24 -0.05 -0.31 0.00 -1.03 0.00 0.00 54.13 52.98 2q4s s LEU 7 Cb -0.15 -2.79 -0.08 0.00 0.03 0.00 0.00 46.19 43.20 2q4s s LEU 7 CO 0.17 -0.21 1.56 -0.75 0.23 0.00 0.00 176.35 177.36 2q4s s LYS 8 N -4.05 4.23 0.40 1.70 2.20 -1.26 -4.94 119.74 118.03 2q4s s LYS 8 Ca 0.38 2.25 -0.27 0.00 -0.36 0.00 0.00 55.97 57.97 2q4s s LYS 8 Cb -0.09 -3.45 -0.10 0.00 -1.51 0.00 0.00 37.83 32.69 2q4s s LYS 8 CO 0.30 -0.64 1.43 -2.14 -0.36 0.00 0.00 175.35 173.94 2q4s s PRO 9 N 2.05 3.95 0.10 4.03 0.02 -1.26 -4.89 135.00 139.01 2q4s s PRO 9 Ca 0.70 2.45 0.16 0.00 0.02 0.00 0.00 61.00 64.33 2q4s s PRO 9 Cb -0.39 -2.83 -0.10 0.00 0.02 0.00 0.00 34.50 31.19 2q4s s PRO 9 CO 0.31 -0.62 0.96 0.00 -0.33 0.00 0.00 177.00 177.32 2q4s h ARG 10 N 2.73 0.00 -3.22 5.54 3.08 -1.92 -3.45 114.38 117.15 2q4s h ARG 10 Ca -0.51 0.00 0.02 0.00 0.07 0.00 0.00 59.98 59.57 2q4s h ARG 10 Cb 1.25 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 31.24 2q4s h ARG 10 CO 0.63 0.36 0.12 0.95 -1.07 0.00 0.00 179.97 180.96 2q4s s THR 11 N -2.92 0.00 0.31 2.04 -4.23 -1.26 -5.01 115.64 104.58 2q4s s THR 11 Ca -0.01 -1.13 -0.01 0.00 -1.18 0.00 0.00 61.69 59.35 2q4s s THR 11 Cb 0.08 -2.12 0.25 0.00 1.34 0.00 0.00 72.50 72.06 2q4s s THR 11 CO 0.80 0.00 1.96 0.25 -0.54 0.00 0.00 174.62 177.09 2q4s h LEU 12 N 2.08 0.87 -0.59 4.79 5.85 -1.95 0.17 115.31 126.53 2q4s h LEU 12 Ca -0.22 -0.04 -0.11 0.00 0.84 0.00 0.00 57.88 58.35 2q4s h LEU 12 Cb 1.25 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 42.04 2q4s h LEU 12 CO 0.28 0.65 -0.09 0.00 -0.34 0.00 0.00 178.44 178.95 2q4s h ALA 13 N 1.50 0.79 -0.56 1.25 0.00 -1.96 -0.07 119.26 120.21 2q4s h ALA 13 Ca 0.27 -0.34 -0.11 0.00 0.00 0.00 0.00 54.91 54.73 2q4s h ALA 13 Cb -0.07 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 2q4s h ALA 13 CO -0.05 0.67 -0.06 0.22 0.00 0.00 0.00 179.25 180.02 2q4s h ASP 14 N 0.92 1.02 -0.48 0.00 1.82 -1.69 -1.54 116.42 116.47 2q4s h ASP 14 Ca 0.15 -0.33 0.07 0.00 -0.39 0.00 0.00 57.03 56.53 2q4s h ASP 14 Cb 0.65 -0.28 -0.06 0.00 0.68 0.00 0.00 39.33 40.32 2q4s h ASP 14 CO 0.05 1.11 0.13 0.25 -1.61 0.00 0.00 179.24 179.17 2q4s h LEU 15 N 0.91 0.09 -1.04 2.28 5.85 -0.38 0.17 115.31 123.19 2q4s h LEU 15 Ca 0.15 0.07 0.02 0.00 0.84 0.00 0.00 57.88 58.96 2q4s h LEU 15 Cb 0.63 0.08 -0.05 0.00 0.37 0.00 0.00 40.66 41.69 2q4s h LEU 15 CO 0.04 0.08 0.65 0.40 -0.34 0.00 0.00 178.44 179.27 2q4s h ILE 16 N 0.29 1.22 -0.26 4.05 2.04 -0.40 0.42 117.51 124.86 2q4s h ILE 16 Ca 0.24 -0.45 -0.02 0.00 1.00 0.00 0.00 64.86 65.64 2q4s h ILE 16 Cb 0.29 -0.19 -0.01 0.00 -0.74 0.00 0.00 36.82 36.16 2q4s h ILE 16 CO -0.28 0.24 0.10 -0.09 0.00 0.00 0.00 178.15 178.12 2q4s h ARG 17 N 1.30 0.40 -0.73 2.37 2.43 -0.28 0.31 114.38 120.18 2q4s h ARG 17 Ca 0.37 -0.07 -0.05 0.00 -0.81 0.00 0.00 59.98 59.42 2q4s h ARG 17 Cb -0.10 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.36 2q4s h ARG 17 CO -0.09 0.44 0.26 0.82 -1.51 0.00 0.00 179.97 179.88 2q4s h ILE 18 N 0.27 1.26 -0.52 1.20 2.04 -0.26 0.23 117.51 121.73 2q4s h ILE 18 Ca 0.09 -0.84 -0.08 0.00 1.00 0.00 0.00 64.86 65.03 2q4s h ILE 18 Cb 0.19 0.43 -0.02 0.00 -0.74 0.00 0.00 36.82 36.68 2q4s h ILE 18 CO -0.01 0.33 0.01 -0.07 0.00 0.00 0.00 178.15 178.42 2q4s h LEU 19 N 1.06 0.84 -1.27 1.44 3.38 0.11 0.82 115.31 121.68 2q4s h LEU 19 Ca 0.24 -0.21 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 2q4s h LEU 19 Cb 0.25 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 2q4s h LEU 19 CO -0.01 0.90 0.05 0.45 0.09 0.00 0.00 178.44 179.91 2q4s h HIS 20 N 0.81 0.55 -0.40 1.13 3.86 0.84 -1.29 115.15 120.65 2q4s h HIS 20 Ca 0.16 -0.04 -0.14 0.00 -1.16 0.00 0.00 60.37 59.19 2q4s h HIS 20 Cb 0.47 -0.16 -0.01 0.00 1.06 0.00 0.00 27.41 28.76 2q4s h HIS 20 CO 0.03 0.51 -0.28 0.93 0.86 0.00 0.00 177.93 179.98 2q4s h GLU 21 N 0.53 0.90 -0.48 2.45 5.08 0.65 -2.91 114.58 120.80 2q4s h GLU 21 Ca 0.12 -0.43 -0.05 0.00 -1.00 0.00 0.00 59.36 58.00 2q4s h GLU 21 Cb 0.27 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.49 2q4s h GLU 21 CO 0.00 1.09 0.11 -0.07 -1.00 0.00 0.00 179.01 179.14 2q4s h LEU 22 N 0.72 0.74 -2.45 1.33 3.38 -0.51 -2.76 115.31 115.77 2q4s h LEU 22 Ca 0.08 -0.24 -0.06 0.00 0.09 0.00 0.00 57.88 57.75 2q4s h LEU 22 Cb 0.86 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 41.38 2q4s h LEU 22 CO 0.08 0.78 0.08 0.49 0.09 0.00 0.00 178.44 179.96 2q4s n PHE 23 N -4.47 1.16 1.27 1.13 3.72 -0.52 -4.39 117.46 115.36 2q4s n PHE 23 Ca 0.01 -0.56 0.00 0.00 -0.05 0.00 0.00 57.45 56.85 2q4s n PHE 23 Cb 0.22 -0.38 0.00 0.00 -0.94 0.00 0.00 39.48 38.39 2q4s n PHE 23 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2q4s n ALA 24 N 0.16 2.21 -3.00 4.37 0.00 -1.04 -4.77 120.51 118.44 2q4s n ALA 24 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.62 2q4s n ALA 24 Cb 0.81 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.26 2q4s n ALA 24 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2q4s n GLY 25 N 0.21 4.22 0.08 0.00 0.00 -1.26 -5.08 105.19 103.36 2q4s n GLY 25 Ca 0.00 -1.59 0.12 0.00 0.00 0.00 0.00 46.02 44.55 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 0.00 0.00 -0.29 1.61 3.32 -1.95 -3.47 116.42 115.63 2q4s h ASP 26 Ca 0.00 -0.15 0.00 0.00 0.02 0.00 0.00 57.03 56.90 2q4s h ASP 26 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 2q4s h ASP 26 CO 0.00 0.07 0.00 -0.62 -1.72 0.00 0.00 179.24 176.97 2q4s n GLU 27 N -2.19 2.25 -3.62 3.56 -0.58 -1.26 -5.13 120.64 113.67 2q4s n GLU 27 Ca 0.04 0.00 -0.00 0.00 -0.42 0.00 0.00 57.16 56.77 2q4s n GLU 27 Cb 0.44 0.00 -0.01 0.00 -0.57 0.00 0.00 31.44 31.30 2q4s n GLU 27 CO 0.00 0.00 0.00 0.14 -0.48 0.00 0.00 177.13 176.79 2q4s s VAL 28 N 0.82 0.00 -0.35 2.62 -7.23 -1.26 -4.82 120.40 110.17 2q4s s VAL 28 Ca 0.00 -0.00 -0.07 0.00 -1.81 0.00 0.00 61.98 60.09 2q4s s VAL 28 Cb 0.00 -1.30 0.04 0.00 0.56 0.00 0.00 36.38 35.68 2q4s s VAL 28 CO 0.00 0.00 0.13 0.21 -0.31 0.00 0.00 175.10 175.13 2q4s s ASN 29 N -2.30 5.41 0.22 4.85 3.84 -1.26 -4.99 114.94 120.71 2q4s s ASN 29 Ca 0.13 -1.13 -0.14 0.00 0.21 0.00 0.00 52.86 51.93 2q4s s ASN 29 Cb 0.02 -1.90 0.25 0.00 -0.55 0.00 0.00 41.25 39.07 2q4s s ASN 29 CO -0.04 -0.35 1.60 0.58 -2.79 0.00 0.00 177.10 176.11 2q4s h VAL 30 N 6.12 0.26 -0.05 -5.21 2.07 -2.00 -1.42 116.25 116.01 2q4s h VAL 30 Ca -0.23 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.24 2q4s h VAL 30 Cb 1.09 0.26 -0.01 0.00 -1.52 0.00 0.00 31.29 31.10 2q4s h VAL 30 CO 0.62 0.00 -0.19 -0.33 0.02 0.00 0.00 177.57 177.69 2q4s h GLU 31 N -0.04 0.09 -0.32 1.57 4.39 -2.00 -1.05 114.58 117.22 2q4s h GLU 31 Ca 0.32 -0.02 -0.13 0.00 0.34 0.00 0.00 59.36 59.87 2q4s h GLU 31 Cb 0.53 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.16 2q4s h GLU 31 CO -0.73 0.28 -0.30 0.93 -1.16 0.00 0.00 179.01 178.03 2q4s h GLU 32 N 0.08 0.77 -0.60 2.33 5.08 -1.70 -2.48 114.58 118.06 2q4s h GLU 32 Ca 0.02 -0.40 -0.08 0.00 -1.00 0.00 0.00 59.36 57.90 2q4s h GLU 32 Cb 0.39 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.63 2q4s h GLU 32 CO 0.03 1.03 0.07 0.28 -1.00 0.00 0.00 179.01 179.41 2q4s h VAL 33 N 0.54 1.26 0.45 3.13 2.07 -0.99 -2.62 116.25 120.08 2q4s h VAL 33 Ca 0.05 -1.03 -0.02 0.00 0.82 0.00 0.00 66.70 66.52 2q4s h VAL 33 Cb 0.87 0.72 0.00 0.00 -1.52 0.00 0.00 31.29 31.37 2q4s h VAL 33 CO 0.08 0.38 -0.22 -0.61 0.02 0.00 0.00 177.57 177.22 2q4s h GLN 34 N 0.93 -0.59 -0.67 1.57 4.15 -1.18 -0.62 115.11 118.70 2q4s h GLN 34 Ca 0.18 0.04 0.14 0.00 0.77 0.00 0.00 58.65 59.78 2q4s h GLN 34 Cb 0.45 0.13 -0.10 0.00 0.21 0.00 0.00 27.48 28.17 2q4s h GLN 34 CO 0.02 -0.35 0.12 0.00 -1.93 0.00 0.00 178.83 176.69 2q4s h ALA 35 N -0.17 0.80 -0.04 3.38 0.00 -1.43 0.76 119.26 122.57 2q4s h ALA 35 Ca -0.06 0.16 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 2q4s h ALA 35 Cb 0.51 0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.54 2q4s h ALA 35 CO 0.10 -0.34 0.01 0.28 0.00 0.00 0.00 179.25 179.30 2q4s h VAL 36 N 0.23 1.20 -0.50 0.00 2.07 -1.41 0.55 116.25 118.39 2q4s h VAL 36 Ca 0.37 -0.58 0.04 0.00 0.82 0.00 0.00 66.70 67.35 2q4s h VAL 36 Cb 0.60 1.52 -0.04 0.00 -1.52 0.00 0.00 31.29 31.84 2q4s h VAL 36 CO -0.49 0.16 0.25 -0.07 0.02 0.00 0.00 177.57 177.44 2q4s h LEU 37 N -0.17 0.35 -1.07 2.57 3.38 -0.30 -1.78 115.31 118.29 2q4s h LEU 37 Ca 0.01 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 2q4s h LEU 37 Cb 0.25 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 2q4s h LEU 37 CO 0.00 0.24 0.35 -0.08 0.09 0.00 0.00 178.44 179.04 2q4s h GLU 38 N 0.48 1.00 0.00 1.13 4.81 0.97 -3.00 114.58 119.97 2q4s h GLU 38 Ca 0.22 -0.13 -0.03 0.00 -0.13 0.00 0.00 59.36 59.28 2q4s h GLU 38 Cb 0.13 -0.19 -0.00 0.00 0.63 0.00 0.00 28.75 29.32 2q4s h GLU 38 CO -0.16 0.77 -0.16 0.00 -0.73 0.00 0.00 179.01 178.72 2q4s h ALA 39 N 1.38 1.10 -2.35 2.92 0.00 0.97 -3.43 119.26 119.86 2q4s h ALA 39 Ca 0.25 -0.15 -0.54 0.00 0.00 0.00 0.00 54.91 54.46 2q4s h ALA 39 Cb 0.09 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 2q4s h ALA 39 CO -0.03 0.21 0.96 -0.47 0.00 0.00 0.00 179.25 179.91 2q4s s TYR 40 N -3.85 2.48 -0.38 0.00 5.04 -1.03 -4.74 117.35 114.86 2q4s s TYR 40 Ca -0.01 0.51 -0.25 0.00 -2.44 0.00 0.00 57.07 54.88 2q4s s TYR 40 Cb 0.11 -3.81 0.02 0.00 0.35 0.00 0.00 41.96 38.63 2q4s s TYR 40 CO 0.60 -3.19 0.89 -2.00 -1.34 0.00 0.00 175.55 170.52 2q4s s GLU 41 N 3.02 3.77 -0.16 4.97 2.12 -1.26 -4.97 118.70 126.18 2q4s s GLU 41 Ca 0.69 0.45 -0.38 0.00 0.36 0.00 0.00 54.97 56.08 2q4s s GLU 41 Cb -0.34 -3.82 -0.15 0.00 0.26 0.00 0.00 34.13 30.08 2q4s s GLU 41 CO 0.28 -0.97 1.71 0.45 -0.54 0.00 0.00 175.26 176.19 2q4s n SER 42 N 6.75 2.55 -3.92 -1.70 2.88 -1.26 -4.94 113.62 113.97 2q4s n SER 42 Ca 0.06 1.06 -0.30 0.00 -1.33 0.00 0.00 58.87 58.35 2q4s n SER 42 Cb 0.48 -1.21 -0.15 0.00 -0.75 0.00 0.00 64.21 62.58 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 3.09 4.18 0.56 -3.46 2.47 -1.26 -5.02 114.94 115.51 2q4s s ASN 43 Ca 0.94 -1.56 0.30 0.00 0.42 0.00 0.00 52.86 52.96 2q4s s ASN 43 Cb -0.95 -1.26 1.46 0.00 -1.45 0.00 0.00 41.25 39.05 2q4s s ASN 43 CO 0.59 -0.31 1.86 -0.65 -3.72 0.00 0.00 177.10 174.87 2q4s h PRO 44 N 7.88 0.00 -0.86 0.43 0.11 -1.92 -1.99 132.00 135.65 2q4s h PRO 44 Ca -0.13 0.00 0.08 0.00 0.11 0.00 0.00 66.00 66.06 2q4s h PRO 44 Cb 1.04 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.09 2q4s h PRO 44 CO 0.46 0.00 0.56 0.00 -0.21 0.00 0.00 178.00 178.80 2q4s h ALA 45 N 1.46 1.62 0.00 -0.75 0.00 -2.01 0.60 119.26 120.20 2q4s h ALA 45 Ca 0.34 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 55.13 2q4s h ALA 45 Cb 1.55 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 19.11 2q4s h ALA 45 CO -0.00 0.22 -0.52 0.93 0.00 0.00 0.00 179.25 179.88 2q4s h GLU 46 N 0.89 0.00 -0.08 0.00 5.08 -1.81 -3.33 114.58 115.33 2q4s h GLU 46 Ca 0.38 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.74 2q4s h GLU 46 Cb 0.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.57 2q4s h GLU 46 CO -0.15 0.52 0.00 -2.67 -1.00 0.00 0.00 179.01 175.71 2q4s n TRP 47 N -3.56 0.10 -0.26 4.33 4.27 -0.89 -4.66 117.44 116.77 2q4s n TRP 47 Ca -0.00 -0.16 0.04 0.00 -3.89 0.00 0.00 57.50 53.49 2q4s n TRP 47 Cb 0.61 -0.01 0.18 0.00 -1.36 0.00 0.00 31.31 30.72 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 1.44 1.10 -0.90 -1.67 0.00 -1.01 -0.05 119.26 118.17 2q4s h ALA 48 Ca 0.00 0.08 0.24 0.00 0.00 0.00 0.00 54.91 55.23 2q4s h ALA 48 Cb 0.43 0.01 -0.13 0.00 0.00 0.00 0.00 17.79 18.09 2q4s h ALA 48 CO 0.00 -0.11 0.35 1.25 0.00 0.00 0.00 179.25 180.74 2q4s h LEU 49 N 0.55 0.22 0.00 0.00 5.85 -1.83 0.16 115.31 120.27 2q4s h LEU 49 Ca 0.41 0.18 0.00 0.00 0.84 0.00 0.00 57.88 59.30 2q4s h LEU 49 Cb 0.54 0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.76 2q4s h LEU 49 CO -0.34 -0.08 -0.18 -1.22 -0.34 0.00 0.00 178.44 176.28 2q4s n TYR 50 N -5.12 0.41 -2.29 1.25 4.01 -0.08 -4.63 117.16 110.71 2q4s n TYR 50 Ca 0.23 0.12 -0.36 0.00 -0.16 0.00 0.00 57.90 57.72 2q4s n TYR 50 Cb 0.71 -0.64 -0.04 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 s ALA 51 N -3.06 2.29 -0.37 -0.72 0.00 0.57 -4.80 121.76 115.67 2q4s s ALA 51 Ca 0.11 -1.47 0.01 0.00 0.00 0.00 0.00 51.96 50.61 2q4s s ALA 51 Cb 0.16 -4.42 0.12 0.00 0.00 0.00 0.00 23.12 18.97 2q4s s ALA 51 CO 0.61 -3.95 0.16 0.15 0.00 0.00 0.00 175.76 172.73 2q4s s LYS 52 N 6.21 0.97 0.31 0.00 1.02 -1.26 -4.98 119.74 122.01 2q4s s LYS 52 Ca 0.55 -1.51 -0.04 0.00 0.02 0.00 0.00 55.97 54.99 2q4s s LYS 52 Cb -0.07 -2.14 -0.05 0.00 -0.52 0.00 0.00 37.83 35.06 2q4s s LYS 52 CO 0.05 -1.07 0.57 -0.06 -0.92 0.00 0.00 175.35 173.92 2q4s s PHE 53 N 1.03 3.49 0.26 3.18 0.08 -1.26 -4.65 117.98 120.10 2q4s s PHE 53 Ca 0.14 0.62 0.10 0.00 0.12 0.00 0.00 56.93 57.91 2q4s s PHE 53 Cb -0.21 -2.09 -0.04 0.00 -0.57 0.00 0.00 43.02 40.11 2q4s s PHE 53 CO -0.12 0.13 -0.08 0.34 -0.10 0.00 0.00 175.22 175.39 2q4s s ASP 54 N -3.34 4.18 0.07 1.36 2.15 -1.26 -5.04 116.67 114.80 2q4s s ASP 54 Ca 0.44 -0.76 0.08 0.00 0.43 0.00 0.00 52.55 52.74 2q4s s ASP 54 Cb -0.10 -0.65 -0.22 0.00 -0.30 0.00 0.00 42.92 41.65 2q4s s ASP 54 CO 0.32 0.03 1.11 -0.61 -0.17 0.00 0.00 175.17 175.84 2q4s h GLN 55 N 2.18 0.00 0.00 4.34 4.15 -2.00 -3.39 115.11 120.40 2q4s h GLN 55 Ca -0.43 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 58.98 2q4s h GLN 55 Cb 1.25 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.94 2q4s h GLN 55 CO 0.59 0.86 -0.93 0.66 -1.93 0.00 0.00 178.83 178.08 2q4s n TYR 56 N -3.27 0.00 -3.54 3.99 4.01 -1.26 -4.96 117.16 112.13 2q4s n TYR 56 Ca -0.05 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.60 2q4s n TYR 56 Cb 0.97 -0.01 -0.02 0.00 -0.31 0.00 0.00 39.34 39.97 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 -2.83 1.27 0.51 -0.72 1.70 -1.26 -5.04 118.95 112.57 2q4s s ARG 57 Ca 0.07 -0.54 -0.21 0.00 -0.47 0.00 0.00 55.73 54.57 2q4s s ARG 57 Cb 0.14 0.53 -0.06 0.00 -0.57 0.00 0.00 34.95 35.00 2q4s s ARG 57 CO 0.79 -0.56 1.17 1.52 -1.08 0.00 0.00 175.30 177.13 2q4s s TYR 58 N -3.61 2.72 0.08 5.89 -0.85 -1.26 -4.11 117.35 116.22 2q4s s TYR 58 Ca 0.05 1.53 0.04 0.00 -0.52 0.00 0.00 57.07 58.16 2q4s s TYR 58 Cb -0.02 -3.39 -0.04 0.00 0.38 0.00 0.00 41.96 38.89 2q4s s TYR 58 CO -0.07 -1.68 0.05 0.95 -1.52 0.00 0.00 175.55 173.28 2q4s s THR 59 N -1.61 4.37 -0.24 -3.49 -4.23 -0.47 -4.93 115.64 105.05 2q4s s THR 59 Ca 0.68 -0.83 0.02 0.00 -1.18 0.00 0.00 61.69 60.38 2q4s s THR 59 Cb -0.28 -3.10 0.05 0.00 1.34 0.00 0.00 72.50 70.51 2q4s s THR 59 CO 0.33 0.13 -0.11 -0.13 -0.54 0.00 0.00 174.62 174.29 2q4s s ARG 60 N -2.36 2.23 -0.12 3.99 0.52 -1.26 -1.67 118.95 120.28 2q4s s ARG 60 Ca 0.28 -1.18 -0.01 0.00 -0.52 0.00 0.00 55.73 54.30 2q4s s ARG 60 Cb -0.12 -2.76 -0.02 0.00 0.52 0.00 0.00 34.95 32.57 2q4s s ARG 60 CO 0.21 -0.51 -0.08 -0.80 0.02 0.00 0.00 175.30 174.13 2q4s s ASN 61 N 1.20 4.47 -0.16 0.23 0.01 -0.58 -1.43 114.94 118.69 2q4s s ASN 61 Ca -0.06 -0.16 -0.26 0.00 -0.71 0.00 0.00 52.86 51.67 2q4s s ASN 61 Cb -0.19 -1.50 -0.01 0.00 0.41 0.00 0.00 41.25 39.96 2q4s s ASN 61 CO -0.07 0.23 0.85 -0.22 -1.51 0.00 0.00 177.10 176.39 2q4s s LEU 62 N -0.04 4.19 -0.25 0.60 2.96 -0.71 -1.07 118.68 124.36 2q4s s LEU 62 Ca -0.01 1.23 -0.17 0.00 -0.22 0.00 0.00 54.13 54.96 2q4s s LEU 62 Cb -0.14 -3.28 -0.15 0.00 0.50 0.00 0.00 46.19 43.12 2q4s s LEU 62 CO 0.03 -0.40 -0.12 0.52 -1.32 0.00 0.00 176.35 175.07 2q4s n VAL 63 N 4.67 1.53 -3.80 1.68 0.31 -0.42 -0.42 118.33 121.88 2q4s n VAL 63 Ca 0.05 -0.23 -0.12 0.00 -0.01 0.00 0.00 64.34 64.02 2q4s n VAL 63 Cb 0.49 -1.95 -0.11 0.00 -0.91 0.00 0.00 33.84 31.36 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 -7.23 -0.19 0.00 4.52 2.15 -0.89 -4.68 116.67 110.35 2q4s s ASP 64 Ca -0.35 0.29 0.29 0.00 0.43 0.00 0.00 52.55 53.21 2q4s s ASP 64 Cb 0.11 0.41 1.33 0.00 -0.30 0.00 0.00 42.92 44.47 2q4s s ASP 64 CO 0.53 -0.20 1.91 0.00 -0.17 0.00 0.00 175.17 177.24 2q4s n GLN 65 N 2.39 0.96 -0.93 4.34 6.02 -1.26 -1.36 117.38 127.53 2q4s n GLN 65 Ca -0.16 -0.34 0.00 0.00 -0.01 0.00 0.00 57.00 56.49 2q4s n GLN 65 Cb 0.57 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 30.34 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 1.20 0.32 2.41 1.08 0.00 -0.94 -3.66 105.19 105.59 2q4s n GLY 66 Ca 0.17 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.36 -5.08 0.00 1.61 4.13 -1.26 -3.51 115.26 110.78 2q4s n ASN 67 Ca 0.00 0.22 0.00 0.00 1.68 0.00 0.00 54.58 56.48 2q4s n ASN 67 Cb 0.18 -4.37 0.00 0.00 -1.54 0.00 0.00 39.78 34.05 2q4s n ASN 67 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2q4s n GLY 68 N -0.69 3.26 1.00 7.41 0.00 -1.24 -4.96 105.19 109.98 2q4s n GLY 68 Ca -0.20 -1.05 0.08 0.00 0.00 0.00 0.00 46.02 44.85 2q4s n GLY 68 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2q4s n LYS 69 N 0.00 3.15 -3.57 1.61 2.85 -1.23 -4.74 118.16 116.23 2q4s n LYS 69 Ca 0.00 -2.55 -0.05 0.00 -1.05 0.00 0.00 58.31 54.65 2q4s n LYS 69 Cb 0.00 -1.64 -0.02 0.00 -0.65 0.00 0.00 35.03 32.73 2q4s n LYS 69 CO 0.00 0.00 0.00 -0.59 -0.05 0.00 0.00 177.40 176.76 2q4s s PHE 70 N -1.82 -0.21 0.03 5.58 -0.12 -1.26 -4.20 117.98 115.99 2q4s s PHE 70 Ca 0.38 0.10 0.02 0.00 -0.05 0.00 0.00 56.93 57.37 2q4s s PHE 70 Cb 0.25 0.54 -0.02 0.00 -0.63 0.00 0.00 43.02 43.16 2q4s s PHE 70 CO 0.16 -0.39 -0.06 -0.80 -0.05 0.00 0.00 175.22 174.08 2q4s s ASN 71 N -2.42 0.66 0.26 1.98 0.01 -0.75 -2.22 114.94 112.47 2q4s s ASN 71 Ca 0.08 -0.51 0.11 0.00 -0.71 0.00 0.00 52.86 51.84 2q4s s ASN 71 Cb -0.01 0.05 -0.05 0.00 0.41 0.00 0.00 41.25 41.66 2q4s s ASN 71 CO -0.06 -0.22 -0.18 -0.22 -1.51 0.00 0.00 177.10 174.92 2q4s s LEU 72 N -1.46 2.65 -0.22 0.60 2.96 -0.46 -0.59 118.68 122.16 2q4s s LEU 72 Ca -0.11 -0.93 -0.05 0.00 -0.22 0.00 0.00 54.13 52.82 2q4s s LEU 72 Cb -0.10 -1.22 0.11 0.00 0.50 0.00 0.00 46.19 45.49 2q4s s LEU 72 CO -0.00 0.05 0.40 -0.63 -1.32 0.00 0.00 176.35 174.85 2q4s s ILE 74 N -2.29 -0.63 -0.08 6.68 1.01 -0.24 -1.30 121.20 124.35 2q4s s ILE 74 Ca 0.28 0.06 -0.11 0.00 0.00 0.00 0.00 60.65 60.87 2q4s s ILE 74 Cb -0.06 -0.74 -0.05 0.00 0.01 0.00 0.00 42.46 41.62 2q4s s ILE 74 CO 0.15 -0.02 0.27 -0.76 0.00 0.00 0.00 174.94 174.58 2q4s s LEU 75 N 2.58 4.40 -0.21 2.97 1.02 0.67 -1.52 118.68 128.59 2q4s s LEU 75 Ca 0.06 0.67 0.01 0.00 0.02 0.00 0.00 54.13 54.89 2q4s s LEU 75 Cb -0.14 -2.33 0.03 0.00 0.02 0.00 0.00 46.19 43.77 2q4s s LEU 75 CO -0.14 0.32 -0.15 0.00 0.02 0.00 0.00 176.35 176.40 2q4s s TRP 77 N 1.27 3.04 0.90 0.00 0.52 0.46 -1.36 118.94 123.76 2q4s s TRP 77 Ca 0.01 -1.23 -0.12 0.00 0.02 0.00 0.00 56.10 54.79 2q4s s TRP 77 Cb -0.15 -2.11 0.13 0.00 -1.15 0.00 0.00 33.47 30.19 2q4s s TRP 77 CO -0.10 -0.64 1.10 0.20 0.02 0.00 0.00 176.95 177.54 2q4s s GLY 78 N 1.41 1.60 0.22 0.98 0.00 -1.26 0.47 107.32 110.74 2q4s s GLY 78 Ca 0.03 -0.28 -0.32 0.00 0.00 0.00 0.00 44.72 44.15 2q4s s GLY 78 CO -0.03 0.24 1.43 1.18 0.00 0.00 0.00 173.10 175.93 2q4s n GLU 79 N -3.81 2.02 -0.10 2.90 4.71 -1.26 -1.49 120.64 123.60 2q4s n GLU 79 Ca 0.06 0.72 0.00 0.00 -0.01 0.00 0.00 57.16 57.93 2q4s n GLU 79 Cb 0.57 -2.40 0.00 0.00 -1.01 0.00 0.00 31.44 28.60 2q4s n GLU 79 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2q4s n GLY 80 N 2.41 2.37 3.75 0.62 0.00 -0.63 -4.96 105.19 108.76 2q4s n GLY 80 Ca 0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.75 2q4s n GLY 80 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2q4s s HIS 81 N -2.80 3.72 0.21 1.61 3.76 -0.56 -4.73 115.29 116.51 2q4s s HIS 81 Ca 0.00 1.77 -0.03 0.00 -0.15 0.00 0.00 55.06 56.65 2q4s s HIS 81 Cb 0.00 -3.18 -0.03 0.00 1.11 0.00 0.00 32.58 30.48 2q4s s HIS 81 CO 0.00 -0.20 0.20 0.20 -0.85 0.00 0.00 174.74 174.09 2q4s s GLY 82 N -0.93 1.30 0.56 -2.22 0.00 -1.26 -0.67 107.32 104.09 2q4s s GLY 82 Ca 0.44 -1.56 0.07 0.00 0.00 0.00 0.00 44.72 43.66 2q4s s GLY 82 CO 0.38 -1.26 0.77 -1.35 0.00 0.00 0.00 173.10 171.64 2q4s s SER 83 N -3.14 5.13 0.82 1.64 1.04 -0.69 -4.82 113.70 113.69 2q4s s SER 83 Ca 0.36 -0.57 -0.12 0.00 0.48 0.00 0.00 55.95 56.10 2q4s s SER 83 Cb 0.05 -0.12 0.09 0.00 0.10 0.00 0.00 66.02 66.14 2q4s s SER 83 CO 0.12 -1.27 1.13 -0.94 0.98 0.00 0.00 173.24 173.26 2q4s s SER 84 N -4.57 4.31 -0.02 7.02 1.04 -1.26 -4.72 113.70 115.49 2q4s s SER 84 Ca 0.60 1.03 -0.30 0.00 0.48 0.00 0.00 55.95 57.76 2q4s s SER 84 Cb -0.07 -1.65 -0.04 0.00 0.10 0.00 0.00 66.02 64.36 2q4s s SER 84 CO 0.38 -2.05 1.16 -0.63 0.98 0.00 0.00 173.24 173.08 2q4s s ILE 85 N -3.34 4.30 0.13 -1.02 1.01 -1.26 -4.35 121.20 116.68 2q4s s ILE 85 Ca 0.62 1.64 -0.07 0.00 0.00 0.00 0.00 60.65 62.83 2q4s s ILE 85 Cb -0.13 -4.05 -0.01 0.00 0.01 0.00 0.00 42.46 38.28 2q4s s ILE 85 CO 0.52 0.05 0.20 -1.38 0.00 0.00 0.00 174.94 174.33 2q4s s HIS 86 N 1.78 0.38 0.51 3.97 -3.43 0.35 -1.03 115.29 117.81 2q4s s HIS 86 Ca 0.56 -0.78 0.08 0.00 -0.80 0.00 0.00 55.06 54.12 2q4s s HIS 86 Cb -0.25 -0.13 0.04 0.00 -1.43 0.00 0.00 32.58 30.81 2q4s s HIS 86 CO 0.24 -0.61 0.54 0.16 -2.00 0.00 0.00 174.74 173.07 2q4s s ASP 87 N -2.94 4.98 -0.17 7.38 -4.77 -1.15 -3.05 116.67 116.95 2q4s s ASP 87 Ca 0.13 -0.92 0.15 0.00 -3.30 0.00 0.00 52.55 48.60 2q4s s ASP 87 Cb 0.05 0.05 0.43 0.00 -1.09 0.00 0.00 42.92 42.35 2q4s s ASP 87 CO -0.04 -1.04 1.20 1.41 0.70 0.00 0.00 175.17 177.39 2q4s n HIS 88 N -1.88 0.36 -3.75 2.11 8.25 -1.26 -4.53 115.22 114.52 2q4s n HIS 88 Ca 0.06 -1.38 -0.23 0.00 -0.26 0.00 0.00 57.72 55.92 2q4s n HIS 88 Cb 0.62 -0.24 -0.05 0.00 1.12 0.00 0.00 29.99 31.45 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 -0.68 -0.89 -1.26 1.59 -1.04 -1.26 -0.63 114.28 110.11 2q4s n THR 89 Ca 0.18 -0.34 -0.06 0.00 -2.04 0.00 0.00 64.05 61.80 2q4s n THR 89 Cb 0.83 -0.83 -0.02 0.00 -1.82 0.00 0.00 70.33 68.49 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 -1.60 -3.57 -4.67 8.00 8.00 -1.26 -5.02 116.55 116.43 2q4s n ASP 90 Ca -0.18 0.13 -0.23 0.00 0.71 0.00 0.00 54.79 55.22 2q4s n ASP 90 Cb 0.43 -1.72 -0.07 0.00 -0.02 0.00 0.00 41.12 39.74 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 -2.92 4.64 -0.21 -2.24 0.01 0.20 -4.69 113.70 108.49 2q4s s SER 91 Ca 0.00 -0.62 -0.23 0.00 1.31 0.00 0.00 55.95 56.41 2q4s s SER 91 Cb 0.00 -0.88 -0.02 0.00 0.21 0.00 0.00 66.02 65.33 2q4s s SER 91 CO 0.00 -0.03 0.73 -1.00 0.41 0.00 0.00 173.24 173.35 2q4s s HIS 92 N -2.32 3.36 -0.26 2.43 3.76 0.25 -4.31 115.29 118.21 2q4s s HIS 92 Ca 0.32 1.04 0.01 0.00 -0.15 0.00 0.00 55.06 56.28 2q4s s HIS 92 Cb -0.06 -2.92 0.07 0.00 1.11 0.00 0.00 32.58 30.78 2q4s s HIS 92 CO 0.21 -0.26 -0.02 0.00 -0.85 0.00 0.00 174.74 173.81 2q4s s PHE 94 N 1.36 3.52 -0.12 0.00 0.08 -0.79 -2.19 117.98 119.84 2q4s s PHE 94 Ca -0.02 0.61 -0.04 0.00 0.12 0.00 0.00 56.93 57.60 2q4s s PHE 94 Cb -0.19 -2.03 0.05 0.00 -0.57 0.00 0.00 43.02 40.28 2q4s s PHE 94 CO -0.09 0.49 0.11 -1.17 -0.10 0.00 0.00 175.22 174.46 2q4s s LEU 95 N -2.32 0.14 -0.13 -0.37 0.20 -0.29 -1.14 118.68 114.77 2q4s s LEU 95 Ca 0.37 -0.16 0.03 0.00 0.69 0.00 0.00 54.13 55.06 2q4s s LEU 95 Cb -0.13 -0.03 0.00 0.00 -0.43 0.00 0.00 46.19 45.61 2q4s s LEU 95 CO 0.22 -0.29 -0.21 -0.75 -0.29 0.00 0.00 176.35 175.02 2q4s s LYS 96 N 2.20 3.07 0.24 1.98 2.20 0.79 0.07 119.74 130.30 2q4s s LYS 96 Ca 0.04 -0.84 -0.30 0.00 -0.36 0.00 0.00 55.97 54.51 2q4s s LYS 96 Cb -0.14 -2.42 -0.09 0.00 -1.51 0.00 0.00 37.83 33.67 2q4s s LYS 96 CO -0.07 0.06 1.24 -0.51 -0.36 0.00 0.00 175.35 175.72 2q4s s LEU 97 N 0.63 4.45 -0.05 5.43 2.01 -0.31 -0.59 118.68 130.27 2q4s s LEU 97 Ca -0.11 2.40 0.15 0.00 0.01 0.00 0.00 54.13 56.57 2q4s s LEU 97 Cb -0.16 -3.62 -0.22 0.00 0.01 0.00 0.00 46.19 42.20 2q4s s LEU 97 CO 0.02 -0.42 0.27 0.18 1.01 0.00 0.00 176.35 177.41 2q4s n LEU 98 N 1.94 0.00 -3.64 1.79 4.77 -0.08 -1.12 117.00 120.66 2q4s n LEU 98 Ca 0.03 0.00 -0.05 0.00 -0.03 0.00 0.00 56.01 55.96 2q4s n LEU 98 Cb 0.43 0.08 -0.06 0.00 -2.33 0.00 0.00 43.42 41.54 2q4s n LEU 98 CO 0.57 0.08 0.35 -1.58 -1.33 0.00 0.00 177.39 175.47 2q4s s GLN 99 N -2.89 0.66 1.64 3.23 0.74 -0.89 -4.82 119.66 117.33 2q4s s GLN 99 Ca -0.06 1.25 0.00 0.00 0.05 0.00 0.00 55.36 56.60 2q4s s GLN 99 Cb 0.08 0.30 0.00 0.00 1.10 0.00 0.00 33.01 34.50 2q4s s GLN 99 CO 0.61 -0.16 0.00 0.41 -0.55 0.00 0.00 175.29 175.61 2q4s n GLY 100 N 4.55 -1.25 3.15 2.59 0.00 -1.26 -1.28 105.19 111.69 2q4s n GLY 100 Ca -0.18 -1.45 -0.11 0.00 0.00 0.00 0.00 46.02 44.28 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 0.01 0.07 1.61 0.01 -1.26 -2.39 114.94 108.99 2q4s s ASN 101 Ca 0.00 -0.25 0.06 0.00 -0.71 0.00 0.00 52.86 51.96 2q4s s ASN 101 Cb 0.00 0.25 -0.03 0.00 0.41 0.00 0.00 41.25 41.89 2q4s s ASN 101 CO 0.00 -0.46 -0.15 -0.76 -1.51 0.00 0.00 177.10 174.21 2q4s s LEU 102 N -1.70 2.25 -0.19 0.60 1.43 -0.67 -4.64 118.68 115.76 2q4s s LEU 102 Ca -0.10 -0.59 -0.14 0.00 -1.03 0.00 0.00 54.13 52.26 2q4s s LEU 102 Cb -0.04 -0.61 -0.04 0.00 0.03 0.00 0.00 46.19 45.53 2q4s s LEU 102 CO -0.01 -0.02 0.32 -0.75 0.23 0.00 0.00 176.35 176.12 2q4s s LYS 103 N -1.62 4.19 -0.19 1.70 2.20 0.15 -0.99 119.74 125.18 2q4s s LYS 103 Ca 0.00 0.09 -0.04 0.00 -0.36 0.00 0.00 55.97 55.66 2q4s s LYS 103 Cb -0.09 -3.49 -0.02 0.00 -1.51 0.00 0.00 37.83 32.71 2q4s s LYS 103 CO 0.02 0.08 -0.04 -2.00 -0.36 0.00 0.00 175.35 173.05 2q4s s GLU 104 N 0.94 3.50 -0.20 4.03 2.12 -0.06 0.26 118.70 129.29 2q4s s GLU 104 Ca 0.16 -0.59 -0.04 0.00 0.36 0.00 0.00 54.97 54.87 2q4s s GLU 104 Cb -0.14 -2.95 -0.02 0.00 0.26 0.00 0.00 34.13 31.28 2q4s s GLU 104 CO 0.06 0.01 -0.03 0.99 -0.54 0.00 0.00 175.26 175.75 2q4s s THR 105 N 0.96 3.67 -0.07 -1.70 2.01 0.11 -1.66 115.64 118.95 2q4s s THR 105 Ca 0.00 -0.41 -0.11 0.00 0.31 0.00 0.00 61.69 61.48 2q4s s THR 105 Cb -0.15 -2.65 -0.05 0.00 0.01 0.00 0.00 72.50 69.67 2q4s s THR 105 CO 0.01 0.44 0.28 -0.76 -0.69 0.00 0.00 174.62 173.90 2q4s s LEU 106 N 1.05 4.40 -0.02 4.42 1.43 0.80 -1.21 118.68 129.55 2q4s s LEU 106 Ca 0.01 0.69 0.03 0.00 -1.03 0.00 0.00 54.13 53.83 2q4s s LEU 106 Cb -0.15 -2.34 -0.00 0.00 0.03 0.00 0.00 46.19 43.73 2q4s s LEU 106 CO 0.01 0.32 -0.12 -0.36 0.23 0.00 0.00 176.35 176.43 2q4s s PHE 107 N -0.81 1.17 0.80 0.29 0.08 -1.09 0.78 117.98 119.19 2q4s s PHE 107 Ca 0.19 -0.28 -0.12 0.00 0.12 0.00 0.00 56.93 56.84 2q4s s PHE 107 Cb -0.14 -0.80 0.07 0.00 -0.57 0.00 0.00 43.02 41.59 2q4s s PHE 107 CO 0.08 -0.09 1.15 -0.51 -0.10 0.00 0.00 175.22 175.75 2q4s s ASP 108 N 0.01 4.56 0.60 1.36 1.01 -1.26 0.66 116.67 123.61 2q4s s ASP 108 Ca -0.01 0.92 -0.20 0.00 0.71 0.00 0.00 52.55 53.97 2q4s s ASP 108 Cb -0.08 -1.51 -0.03 0.00 1.01 0.00 0.00 42.92 42.31 2q4s s ASP 108 CO 0.01 -1.89 1.31 0.26 0.21 0.00 0.00 175.17 175.07 2q4s s TRP 109 N -3.46 2.20 0.04 4.23 0.52 -1.26 -4.58 118.94 116.64 2q4s s TRP 109 Ca 0.61 1.44 0.00 0.00 0.02 0.00 0.00 56.10 58.18 2q4s s TRP 109 Cb -0.12 -3.72 -0.04 0.00 -1.15 0.00 0.00 33.47 28.44 2q4s s TRP 109 CO 0.51 -2.84 0.15 -1.25 0.02 0.00 0.00 176.95 173.53 2q4s s PRO 110 N -3.16 3.22 0.83 4.98 0.04 -1.26 -5.07 135.00 134.57 2q4s s PRO 110 Ca 0.77 -0.50 -0.13 0.00 0.04 0.00 0.00 61.00 61.18 2q4s s PRO 110 Cb -0.38 -2.93 0.08 0.00 0.04 0.00 0.00 34.50 31.31 2q4s s PRO 110 CO 0.42 0.62 1.10 -0.25 0.04 0.00 0.00 177.00 178.93 2q4s n ASP 111 N 0.60 0.60 0.04 6.66 8.00 -1.26 -4.84 116.55 126.36 2q4s n ASP 111 Ca -0.08 0.55 0.06 0.00 0.71 0.00 0.00 54.79 56.03 2q4s n ASP 111 Cb 0.52 -1.47 0.29 0.00 -0.02 0.00 0.00 41.12 40.44 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 -3.13 0.05 -2.67 -1.24 4.76 -1.26 -4.50 118.16 110.17 2q4s n LYS 112 Ca 0.13 0.41 -0.43 0.00 -2.87 0.00 0.00 58.31 55.55 2q4s n LYS 112 Cb 0.51 -1.63 -0.02 0.00 -1.84 0.00 0.00 35.03 32.05 2q4s n LYS 112 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 2q4s s LYS 113 N -3.13 4.14 -0.28 1.97 2.36 -1.26 -4.94 119.74 118.60 2q4s s LYS 113 Ca 0.03 1.15 -0.35 0.00 -2.55 0.00 0.00 55.97 54.25 2q4s s LYS 113 Cb 0.06 -3.70 -0.11 0.00 -1.05 0.00 0.00 37.83 33.03 2q4s s LYS 113 CO 0.20 -0.78 2.08 0.45 1.55 0.00 0.00 175.35 178.86 2q4s n SER 114 N 6.60 2.53 -3.44 1.43 2.88 -1.26 -4.87 113.62 117.49 2q4s n SER 114 Ca 0.11 0.58 -0.11 0.00 -1.33 0.00 0.00 58.87 58.12 2q4s n SER 114 Cb 0.47 -1.30 -0.02 0.00 -0.75 0.00 0.00 64.21 62.61 2q4s n SER 114 CO 0.00 0.00 0.00 0.20 -1.23 0.00 0.00 175.04 174.01 2q4s s ASN 115 N 6.36 -0.52 0.00 -3.46 0.01 -0.99 -5.01 114.94 111.33 2q4s s ASN 115 Ca 1.04 0.01 0.00 0.00 -0.71 0.00 0.00 52.86 53.20 2q4s s ASN 115 Cb -0.80 0.54 0.00 0.00 0.41 0.00 0.00 41.25 41.40 2q4s s ASN 115 CO 0.50 -0.87 0.00 1.21 -1.51 0.00 0.00 177.10 176.43 2q4s n GLU 116 N -0.32 2.94 -3.65 -0.60 2.13 -1.14 -3.24 120.64 116.77 2q4s n GLU 116 Ca -0.15 0.00 -0.12 0.00 0.66 0.00 0.00 57.16 57.55 2q4s n GLU 116 Cb 0.64 0.00 -0.07 0.00 0.27 0.00 0.00 31.44 32.28 2q4s n GLU 116 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 2q4s s ILE 118 N 0.00 -0.00 0.48 6.31 -1.09 -1.26 -4.93 121.20 120.70 2q4s s ILE 118 Ca 0.00 0.00 -0.22 0.00 -2.23 0.00 0.00 60.65 58.20 2q4s s ILE 118 Cb 0.00 -0.94 -0.07 0.00 -1.58 0.00 0.00 42.46 39.87 2q4s s ILE 118 CO 0.00 0.00 1.16 -1.59 -1.23 0.00 0.00 174.94 173.28 2q4s s LYS 119 N 0.64 3.67 -0.17 2.79 -2.85 -1.26 -4.43 119.74 118.13 2q4s s LYS 119 Ca -0.02 1.75 -0.06 0.00 -1.00 0.00 0.00 55.97 56.64 2q4s s LYS 119 Cb -0.05 -2.33 -0.23 0.00 -2.06 0.00 0.00 37.83 33.17 2q4s s LYS 119 CO -0.04 -0.62 0.17 1.17 0.10 0.00 0.00 175.35 176.13 2q4s n LYS 120 N -0.65 0.71 -3.73 1.78 4.81 0.23 -4.98 118.16 116.34 2q4s n LYS 120 Ca 0.08 0.26 -0.02 0.00 -0.87 0.00 0.00 58.31 57.76 2q4s n LYS 120 Cb 0.49 -1.65 -0.01 0.00 0.02 0.00 0.00 35.03 33.87 2q4s n LYS 120 CO 0.00 0.00 0.00 -1.54 1.17 0.00 0.00 177.40 177.03 2q4s s SER 121 N -6.91 -0.13 -0.02 3.14 1.04 -1.11 -5.01 113.70 104.71 2q4s s SER 121 Ca -0.27 -0.34 -0.09 0.00 0.48 0.00 0.00 55.95 55.73 2q4s s SER 121 Cb 0.08 0.39 0.01 0.00 0.10 0.00 0.00 66.02 66.60 2q4s s SER 121 CO 0.70 -0.73 0.19 -1.83 0.98 0.00 0.00 173.24 172.54 2q4s s GLU 122 N -2.97 0.48 0.12 4.02 -1.05 -1.26 -0.14 118.70 117.89 2q4s s GLU 122 Ca 0.13 -0.23 -0.09 0.00 -0.15 0.00 0.00 54.97 54.63 2q4s s GLU 122 Cb 0.00 0.21 -0.00 0.00 -0.44 0.00 0.00 34.13 33.90 2q4s s GLU 122 CO 0.01 -0.11 0.23 -0.98 0.95 0.00 0.00 175.26 175.35 2q4s s ARG 123 N -1.10 0.96 -0.28 -4.83 1.70 -0.67 -5.00 118.95 109.73 2q4s s ARG 123 Ca -0.12 -1.04 -0.10 0.00 -0.47 0.00 0.00 55.73 54.01 2q4s s ARG 123 Cb -0.06 0.36 -0.03 0.00 -0.57 0.00 0.00 34.95 34.64 2q4s s ARG 123 CO 0.02 -0.32 0.15 0.99 -1.08 0.00 0.00 175.30 175.05 2q4s s THR 124 N -3.90 4.83 -0.22 4.99 2.01 -1.26 -0.88 115.64 121.20 2q4s s THR 124 Ca 0.09 -0.10 -0.20 0.00 0.31 0.00 0.00 61.69 61.79 2q4s s THR 124 Cb 0.04 -3.34 -0.02 0.00 0.01 0.00 0.00 72.50 69.19 2q4s s THR 124 CO -0.07 0.22 0.60 -0.76 -0.69 0.00 0.00 174.62 173.92 2q4s s LEU 125 N 1.68 4.11 0.39 4.42 1.43 -0.16 -4.97 118.68 125.59 2q4s s LEU 125 Ca 0.06 0.74 0.08 0.00 -1.03 0.00 0.00 54.13 53.98 2q4s s LEU 125 Cb -0.16 -2.83 -0.01 0.00 0.03 0.00 0.00 46.19 43.22 2q4s s LEU 125 CO 0.07 -0.28 0.44 -0.13 0.23 0.00 0.00 176.35 176.68 2q4s s ARG 126 N 2.05 2.76 0.08 1.70 0.52 -1.26 -1.68 118.95 123.12 2q4s s ARG 126 Ca 0.26 -1.31 -0.37 0.00 -0.52 0.00 0.00 55.73 53.79 2q4s s ARG 126 Cb -0.16 -2.59 -0.17 0.00 0.52 0.00 0.00 34.95 32.55 2q4s s ARG 126 CO 0.10 -0.12 1.27 0.39 0.02 0.00 0.00 175.30 176.95 2q4s n GLU 127 N -1.62 0.92 -0.28 3.54 1.02 -1.00 -0.78 120.64 122.43 2q4s n GLU 127 Ca 0.03 0.33 0.00 0.00 -0.02 0.00 0.00 57.16 57.51 2q4s n GLU 127 Cb 0.60 -1.93 0.00 0.00 -0.02 0.00 0.00 31.44 30.09 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 2.29 0.00 -4.78 1.62 3.02 -0.28 -4.97 115.26 112.16 2q4s n ASN 128 Ca 0.18 0.00 -0.37 0.00 -0.03 0.00 0.00 54.58 54.37 2q4s n ASN 128 Cb 0.17 -0.47 -0.04 0.00 -0.61 0.00 0.00 39.78 38.84 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 -0.08 4.12 -0.15 3.52 0.74 0.04 -4.59 119.66 123.25 2q4s s GLN 129 Ca 0.00 1.55 0.01 0.00 0.05 0.00 0.00 55.36 56.97 2q4s s GLN 129 Cb 0.00 -2.53 0.02 0.00 1.10 0.00 0.00 33.01 31.60 2q4s s GLN 129 CO 0.00 -0.19 -0.18 0.00 -0.55 0.00 0.00 175.29 174.37 2q4s s ALA 131 N 1.20 4.14 0.01 0.00 0.00 0.11 -4.93 121.76 122.29 2q4s s ALA 131 Ca 0.01 -1.38 0.01 0.00 0.00 0.00 0.00 51.96 50.59 2q4s s ALA 131 Cb -0.14 -1.70 -0.01 0.00 0.00 0.00 0.00 23.12 21.28 2q4s s ALA 131 CO -0.08 0.06 -0.02 -0.47 0.00 0.00 0.00 175.76 175.25 2q4s s TYR 132 N -2.11 0.20 0.02 0.00 6.14 -1.26 -1.14 117.35 119.20 2q4s s TYR 132 Ca 0.41 -0.15 -0.15 0.00 0.64 0.00 0.00 57.07 57.83 2q4s s TYR 132 Cb -0.09 -0.13 0.02 0.00 0.42 0.00 0.00 41.96 42.18 2q4s s TYR 132 CO 0.30 -0.04 0.32 -1.50 0.64 0.00 0.00 175.55 175.27 2q4s s ILE 133 N -0.37 0.07 0.25 3.14 2.07 -0.93 -5.04 121.20 120.39 2q4s s ILE 133 Ca -0.03 -0.59 -0.09 0.00 -1.41 0.00 0.00 60.65 58.53 2q4s s ILE 133 Cb -0.03 -0.83 -0.01 0.00 0.13 0.00 0.00 42.46 41.72 2q4s s ILE 133 CO -0.00 -0.32 0.41 0.54 -1.91 0.00 0.00 174.94 173.65 2q4s s ASN 134 N -1.80 0.08 0.00 4.50 2.20 -1.26 -1.96 114.94 116.69 2q4s s ASN 134 Ca -0.08 -1.09 0.04 0.00 -0.94 0.00 0.00 52.86 50.79 2q4s s ASN 134 Cb -0.02 0.55 0.18 0.00 -2.00 0.00 0.00 41.25 39.96 2q4s s ASN 134 CO -0.01 -1.10 1.05 0.47 -2.94 0.00 0.00 177.10 174.57 2q4s n ASP 135 N -0.48 0.00 -0.01 3.54 9.92 -1.26 -1.71 116.55 126.54 2q4s n ASP 135 Ca -0.01 0.39 -0.11 0.00 -0.53 0.00 0.00 54.79 54.53 2q4s n ASP 135 Cb 0.63 -0.41 -0.14 0.00 -0.64 0.00 0.00 41.12 40.56 2q4s n ASP 135 CO 0.00 0.00 0.00 0.28 0.13 0.00 0.00 177.20 177.61 2q4s h SER 136 N 0.00 0.10 -0.35 -2.24 0.02 -1.96 -3.35 113.55 105.77 2q4s h SER 136 Ca 0.00 -0.22 -0.16 0.00 -0.84 0.00 0.00 61.79 60.57 2q4s h SER 136 Cb 0.05 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 62.55 2q4s h SER 136 CO 0.00 1.19 -0.41 0.40 -1.14 0.00 0.00 176.83 176.88 2q4s h ILE 137 N 0.02 1.27 0.00 3.27 2.04 -1.74 -3.50 117.51 118.87 2q4s h ILE 137 Ca -0.30 -1.58 0.00 0.00 1.00 0.00 0.00 64.86 63.98 2q4s h ILE 137 Cb 2.01 1.41 0.00 0.00 -0.74 0.00 0.00 36.82 39.51 2q4s h ILE 137 CO 0.09 0.53 0.00 0.61 0.00 0.00 0.00 178.15 179.37 2q4s n GLY 138 N 0.15 0.89 0.50 5.37 0.00 -1.12 -4.88 105.19 106.10 2q4s n GLY 138 Ca -0.02 -1.79 -0.03 0.00 0.00 0.00 0.00 46.02 44.18 2q4s n GLY 138 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2q4s n LEU 139 N 0.00 0.00 0.00 0.99 4.77 0.21 -4.54 117.00 118.43 2q4s n LEU 139 Ca 0.00 -0.32 0.00 0.00 -0.03 0.00 0.00 56.01 55.66 2q4s n LEU 139 Cb 0.00 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.03 2q4s n LEU 139 CO 0.00 -0.53 0.00 0.00 -1.33 0.00 0.00 177.39 175.53 2q4s n HIS 140 N -1.19 0.00 -4.27 -1.77 1.44 -1.17 -2.69 115.22 105.57 2q4s n HIS 140 Ca 0.02 0.00 -0.21 0.00 -2.01 0.00 0.00 57.72 55.52 2q4s n HIS 140 Cb 0.08 0.00 -0.13 0.00 0.12 0.00 0.00 29.99 30.06 2q4s n HIS 140 CO 0.00 0.00 0.00 0.50 -2.81 0.00 0.00 176.34 174.03 2q4s s ARG 141 N -2.00 0.97 -0.02 -1.40 3.52 -0.35 0.13 118.95 119.80 2q4s s ARG 141 Ca 0.00 -0.97 0.08 0.00 -0.13 0.00 0.00 55.73 54.70 2q4s s ARG 141 Cb 0.00 -1.06 -0.02 0.00 -1.56 0.00 0.00 34.95 32.32 2q4s s ARG 141 CO 0.00 0.25 -0.25 0.08 -0.81 0.00 0.00 175.30 174.57 2q4s s VAL 142 N -1.12 1.96 -0.01 7.11 1.01 -1.26 0.06 120.40 128.16 2q4s s VAL 142 Ca 0.02 -1.06 -0.04 0.00 0.00 0.00 0.00 61.98 60.90 2q4s s VAL 142 Cb -0.09 -1.63 -0.00 0.00 0.00 0.00 0.00 36.38 34.66 2q4s s VAL 142 CO 0.03 0.55 0.08 -1.61 0.00 0.00 0.00 175.10 174.15 2q4s s GLU 143 N -0.56 0.29 -0.67 2.72 2.02 0.14 -1.70 118.70 120.94 2q4s s GLU 143 Ca 0.09 -0.23 -0.20 0.00 0.02 0.00 0.00 54.97 54.65 2q4s s GLU 143 Cb -0.10 0.12 0.10 0.00 0.10 0.00 0.00 34.13 34.35 2q4s s GLU 143 CO -0.01 -0.06 0.85 1.21 0.02 0.00 0.00 175.26 177.27 2q4s s ASN 144 N -0.81 6.27 0.00 -0.19 3.84 0.15 0.30 114.94 124.51 2q4s s ASN 144 Ca -0.09 -1.45 0.30 0.00 0.21 0.00 0.00 52.86 51.83 2q4s s ASN 144 Cb -0.05 -2.35 1.46 0.00 -0.55 0.00 0.00 41.25 39.76 2q4s s ASN 144 CO 0.00 -1.18 1.98 1.33 -2.79 0.00 0.00 177.10 176.44 2q4s n VAL 145 N 5.58 0.00 -2.35 -5.21 0.24 -1.26 -1.61 118.33 113.72 2q4s n VAL 145 Ca -0.02 -0.09 -0.41 0.00 -2.04 0.00 0.00 64.34 61.78 2q4s n VAL 145 Cb 0.44 -0.09 -0.03 0.00 -1.47 0.00 0.00 33.84 32.69 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 -2.14 7.04 0.06 -1.34 0.15 -1.26 -4.67 113.70 111.54 2q4s s SER 146 Ca 0.39 2.23 0.26 0.00 0.70 0.00 0.00 55.95 59.53 2q4s s SER 146 Cb 0.21 -2.60 0.63 0.00 -1.71 0.00 0.00 66.02 62.55 2q4s s SER 146 CO 0.39 -0.42 1.52 1.41 1.20 0.00 0.00 173.24 177.33 2q4s n HIS 147 N 2.80 0.26 -0.17 3.44 8.25 -1.26 -1.60 115.22 126.94 2q4s n HIS 147 Ca 0.06 0.08 0.00 0.00 -0.26 0.00 0.00 57.72 57.59 2q4s n HIS 147 Cb 0.44 -0.49 0.00 0.00 1.12 0.00 0.00 29.99 31.06 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 -1.76 0.00 -3.80 1.59 -2.24 -1.26 -4.90 114.28 101.90 2q4s n THR 148 Ca 0.05 -0.31 -0.29 0.00 -2.27 0.00 0.00 64.05 61.23 2q4s n THR 148 Cb 0.38 1.17 -0.16 0.00 -2.10 0.00 0.00 70.33 69.62 2q4s n THR 148 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2q4s s GLU 149 N -0.35 0.98 0.60 -0.78 0.41 -1.26 -5.03 118.70 113.28 2q4s s GLU 149 Ca 0.00 -0.85 -0.19 0.00 -0.41 0.00 0.00 54.97 53.52 2q4s s GLU 149 Cb 0.00 -2.26 -0.04 0.00 -1.78 0.00 0.00 34.13 30.06 2q4s s GLU 149 CO 0.00 -0.75 1.11 -2.30 -0.49 0.00 0.00 175.26 172.83 2q4s n PRO 150 N 4.85 1.07 -4.43 0.39 -0.02 -1.26 -4.59 135.00 131.00 2q4s n PRO 150 Ca -0.07 0.41 -0.29 0.00 -2.02 0.00 0.00 63.50 61.53 2q4s n PRO 150 Cb 0.44 -2.32 -0.13 0.00 -0.02 0.00 0.00 33.50 31.47 2q4s n PRO 150 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2q4s s ALA 151 N -1.44 2.38 -0.04 3.55 0.00 0.18 -4.52 121.76 121.86 2q4s s ALA 151 Ca 0.77 -1.45 0.02 0.00 0.00 0.00 0.00 51.96 51.30 2q4s s ALA 151 Cb -0.41 -0.40 0.01 0.00 0.00 0.00 0.00 23.12 22.32 2q4s s ALA 151 CO 0.46 0.54 -0.08 0.08 0.00 0.00 0.00 175.76 176.76 2q4s s VAL 152 N -1.04 0.75 0.28 0.00 1.01 -0.40 0.17 120.40 121.17 2q4s s VAL 152 Ca 0.14 -0.30 0.09 0.00 0.00 0.00 0.00 61.98 61.91 2q4s s VAL 152 Cb -0.10 -0.70 -0.06 0.00 0.00 0.00 0.00 36.38 35.53 2q4s s VAL 152 CO 0.06 0.25 -0.12 -0.94 0.00 0.00 0.00 175.10 174.35 2q4s s SER 153 N 0.49 3.18 -0.20 3.32 1.04 0.22 -0.90 113.70 120.85 2q4s s SER 153 Ca -0.08 -1.12 0.01 0.00 0.48 0.00 0.00 55.95 55.24 2q4s s SER 153 Cb -0.11 -0.24 0.04 0.00 0.10 0.00 0.00 66.02 65.80 2q4s s SER 153 CO 0.01 -0.18 -0.11 -0.22 0.98 0.00 0.00 173.24 173.71 2q4s s LEU 154 N -3.48 2.35 -0.03 2.42 2.96 0.24 -0.24 118.68 122.91 2q4s s LEU 154 Ca 0.29 -0.90 0.02 0.00 -0.22 0.00 0.00 54.13 53.32 2q4s s LEU 154 Cb 0.00 -1.28 -0.03 0.00 0.50 0.00 0.00 46.19 45.38 2q4s s LEU 154 CO 0.13 -0.13 -0.07 -1.00 -1.32 0.00 0.00 176.35 173.96 2q4s s HIS 155 N 1.36 2.91 -0.23 5.38 3.76 -1.26 -0.15 115.29 127.06 2q4s s HIS 155 Ca -0.01 -0.01 0.02 0.00 -0.15 0.00 0.00 55.06 54.90 2q4s s HIS 155 Cb -0.16 -1.66 0.05 0.00 1.11 0.00 0.00 32.58 31.93 2q4s s HIS 155 CO -0.08 0.35 -0.09 -1.17 -0.85 0.00 0.00 174.74 172.89 2q4s s LEU 156 N -1.14 2.81 -0.11 0.89 0.20 -0.29 -4.23 118.68 116.81 2q4s s LEU 156 Ca 0.15 -1.17 -0.11 0.00 0.69 0.00 0.00 54.13 53.70 2q4s s LEU 156 Cb -0.11 -1.35 -0.05 0.00 -0.43 0.00 0.00 46.19 44.26 2q4s s LEU 156 CO 0.05 -0.18 0.24 -0.31 -0.29 0.00 0.00 176.35 175.85 2q4s s TYR 157 N 1.28 3.57 -0.30 5.38 2.02 0.25 -1.88 117.35 127.66 2q4s s TYR 157 Ca -0.05 0.63 -0.13 0.00 -0.37 0.00 0.00 57.07 57.14 2q4s s TYR 157 Cb -0.18 -2.14 0.16 0.00 -0.40 0.00 0.00 41.96 39.39 2q4s s TYR 157 CO -0.07 0.54 0.90 -1.54 -1.57 0.00 0.00 175.55 173.82 2q4s s SER 158 N -0.52 -0.73 0.90 2.29 1.04 -0.17 -1.81 113.70 114.70 2q4s s SER 158 Ca 0.16 0.97 -0.10 0.00 0.48 0.00 0.00 55.95 57.46 2q4s s SER 158 Cb -0.13 1.82 0.14 0.00 0.10 0.00 0.00 66.02 67.95 2q4s s SER 158 CO 0.05 -0.14 1.15 -2.84 0.98 0.00 0.00 173.24 172.45 2q4s s PRO 159 N 2.59 1.11 0.46 4.02 0.02 -1.26 0.87 135.00 142.80 2q4s s PRO 159 Ca -0.03 1.57 -0.24 0.00 0.02 0.00 0.00 61.00 62.33 2q4s s PRO 159 Cb -0.08 -1.74 -0.07 0.00 0.02 0.00 0.00 34.50 32.63 2q4s s PRO 159 CO -0.18 -2.57 1.24 -2.14 -0.33 0.00 0.00 177.00 173.03 2q4s s PRO 160 N -4.59 3.72 0.05 5.54 0.02 -1.26 -4.77 135.00 133.71 2q4s s PRO 160 Ca 0.67 1.98 0.00 0.00 0.02 0.00 0.00 61.00 63.68 2q4s s PRO 160 Cb -0.23 -2.50 -0.03 0.00 0.02 0.00 0.00 34.50 31.75 2q4s s PRO 160 CO 0.57 -0.64 -0.05 -0.59 -0.33 0.00 0.00 177.00 175.96 2q4s s PHE 161 N -1.40 0.54 -0.74 6.54 -0.12 -1.26 -5.04 117.98 116.50 2q4s s PHE 161 Ca 0.63 -0.77 0.08 0.00 -0.05 0.00 0.00 56.93 56.82 2q4s s PHE 161 Cb -0.34 -0.36 -0.01 0.00 -0.63 0.00 0.00 43.02 41.69 2q4s s PHE 161 CO 0.42 -0.22 0.56 -0.40 -0.05 0.00 0.00 175.22 175.52 2q4s n ASP 162 N 0.80 1.06 -4.05 1.98 5.68 -1.26 -5.04 116.55 115.72 2q4s n ASP 162 Ca -0.18 -1.03 -0.09 0.00 -0.50 0.00 0.00 54.79 52.98 2q4s n ASP 162 Cb 0.58 0.49 -0.09 0.00 -1.14 0.00 0.00 41.12 40.96 2q4s n ASP 162 CO 0.00 0.00 0.00 0.42 -1.33 0.00 0.00 177.20 176.29 2q4s s THR 163 N -1.22 0.11 0.16 2.12 -4.23 -1.26 -4.50 115.64 106.82 2q4s s THR 163 Ca 0.07 -1.66 -0.07 0.00 -1.18 0.00 0.00 61.69 58.85 2q4s s THR 163 Cb 0.07 -1.83 0.03 0.00 1.34 0.00 0.00 72.50 72.10 2q4s s THR 163 CO 0.21 -0.51 0.37 0.00 -0.54 0.00 0.00 174.62 174.15 2q4s s HIS 165 N -5.69 2.26 0.08 0.00 3.76 -1.26 -0.95 115.29 113.49 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 -0.02 -1.40 -0.04 0.00 1.11 0.00 0.00 32.58 32.23 2q4s s HIS 165 CO 0.05 0.05 0.23 0.00 -0.85 0.00 0.00 174.74 174.22 2q4s s ALA 166 N -0.72 4.00 -0.09 -1.40 0.00 -0.22 -2.94 121.76 120.39 2q4s s ALA 166 Ca 0.11 -0.89 0.02 0.00 0.00 0.00 0.00 51.96 51.20 2q4s s ALA 166 Cb -0.10 -1.82 0.01 0.00 0.00 0.00 0.00 23.12 21.22 2q4s s ALA 166 CO 0.01 0.76 -0.17 -0.06 0.00 0.00 0.00 175.76 176.30 2q4s s PHE 167 N -1.57 1.96 -0.20 0.00 0.08 -0.20 -1.23 117.98 116.82 2q4s s PHE 167 Ca 0.35 -0.83 -0.29 0.00 0.12 0.00 0.00 56.93 56.28 2q4s s PHE 167 Cb -0.12 -1.38 -0.02 0.00 -0.57 0.00 0.00 43.02 40.93 2q4s s PHE 167 CO 0.28 -0.40 1.36 0.34 -0.10 0.00 0.00 175.22 176.71 2q4s s ASP 168 N 0.71 6.75 0.65 1.36 2.15 -0.99 -4.30 116.67 122.99 2q4s s ASP 168 Ca -0.13 1.59 0.40 0.00 0.43 0.00 0.00 52.55 54.85 2q4s s ASP 168 Cb -0.16 -2.54 2.25 0.00 -0.30 0.00 0.00 42.92 42.18 2q4s s ASP 168 CO 0.03 -0.94 2.33 -0.61 -0.17 0.00 0.00 175.17 175.81 2q4s h GLN 169 N 9.02 0.00 0.00 4.34 4.15 -1.96 0.16 115.11 130.83 2q4s h GLN 169 Ca -0.29 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.13 2q4s h GLN 169 Cb 1.12 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.81 2q4s h GLN 169 CO 0.99 0.00 -0.76 0.00 -1.93 0.00 0.00 178.83 177.13 2q4s h ARG 170 N 0.00 0.00 0.00 1.69 2.47 -1.90 -3.42 114.38 113.22 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 0.02 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.34 2q4s h ARG 170 CO -0.00 0.00 -0.17 0.25 0.56 0.00 0.00 179.97 180.61 2q4s n THR 171 N -2.64 0.00 -0.72 2.04 -2.24 -0.85 -2.87 114.28 107.00 2q4s n THR 171 Ca 0.01 -0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.74 2q4s n THR 171 Cb 0.53 0.45 0.00 0.00 -2.10 0.00 0.00 70.33 69.21 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 0.53 1.14 3.63 3.38 0.00 0.52 -2.35 105.19 112.03 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 -1.58 0.00 0.00 0.00 173.32 171.74 2q4s s HIS 173 N -3.55 1.39 0.35 1.61 5.04 -1.26 -4.65 115.29 114.22 2q4s s HIS 173 Ca 0.00 0.17 -0.15 0.00 -1.54 0.00 0.00 55.06 53.53 2q4s s HIS 173 Cb 0.00 -4.06 -0.09 0.00 0.04 0.00 0.00 32.58 28.47 2q4s s HIS 173 CO 0.00 -4.42 0.78 -1.59 -2.34 0.00 0.00 174.74 167.17 2q4s s LYS 174 N 5.33 4.00 -0.01 2.88 -2.85 -1.26 -2.35 119.74 125.49 2q4s s LYS 174 Ca 0.90 0.72 -0.01 0.00 -1.00 0.00 0.00 55.97 56.58 2q4s s LYS 174 Cb -0.35 -2.38 0.01 0.00 -2.06 0.00 0.00 37.83 33.05 2q4s s LYS 174 CO 0.36 0.09 0.02 0.54 0.10 0.00 0.00 175.35 176.47 2q4s s ASN 175 N -2.39 -0.01 0.28 0.03 4.22 -0.36 -4.97 114.94 111.74 2q4s s ASN 175 Ca 0.55 0.05 -0.28 0.00 -2.14 0.00 0.00 52.86 51.03 2q4s s ASN 175 Cb -0.10 0.03 -0.09 0.00 1.28 0.00 0.00 41.25 42.36 2q4s s ASN 175 CO 0.19 -0.03 0.97 -0.75 -2.04 0.00 0.00 177.10 175.44 2q4s s LYS 176 N 0.19 4.71 0.09 3.55 2.20 -1.26 -1.06 119.74 128.15 2q4s s LYS 176 Ca -0.01 1.49 0.01 0.00 -0.36 0.00 0.00 55.97 57.09 2q4s s LYS 176 Cb -0.02 -3.09 -0.04 0.00 -1.51 0.00 0.00 37.83 33.17 2q4s s LYS 176 CO -0.01 0.37 -0.04 0.08 -0.36 0.00 0.00 175.35 175.39 2q4s s VAL 177 N -1.33 0.51 0.00 4.02 1.01 -0.13 -4.92 120.40 119.56 2q4s s VAL 177 Ca 0.45 -1.90 0.00 0.00 0.00 0.00 0.00 61.98 60.53 2q4s s VAL 177 Cb -0.24 -1.67 0.00 0.00 0.00 0.00 0.00 36.38 34.46 2q4s s VAL 177 CO 0.31 -0.87 0.00 0.41 0.00 0.00 0.00 175.10 174.94 2q4s n THR 178 N -0.01 0.00 0.00 3.92 -1.04 -1.26 -2.31 114.28 113.58 2q4s n THR 178 Ca -0.12 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.89 2q4s n THR 178 Cb 0.61 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.12 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 -3.79 12.58 -2.24 -1.26 -4.93 114.28 114.64 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 -0.11 0.00 -2.10 0.00 0.00 70.33 68.12 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 -1.78 3.18 -1.27 4.78 0.08 -1.26 -4.78 117.98 116.92 2q4s s PHE 181 Ca 0.00 -0.11 0.00 0.00 0.12 0.00 0.00 56.93 56.95 2q4s s PHE 181 Cb 0.00 -2.23 0.02 0.00 -0.57 0.00 0.00 43.02 40.25 2q4s s PHE 181 CO 0.00 -0.13 0.88 1.58 -0.10 0.00 0.00 175.22 177.45 2q4s n HIS 182 N 4.50 0.00 0.00 0.36 -0.00 -0.51 -4.64 115.22 114.93 2q4s n HIS 182 Ca -0.16 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.56 2q4s n HIS 182 Cb 0.52 -0.37 0.00 0.00 -0.00 0.00 0.00 29.99 30.14 2q4s n HIS 182 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.34 175.21 2q4s n SER 183 N -1.37 0.00 -3.74 0.26 3.41 -1.25 -1.89 113.62 109.05 2q4s n SER 183 Ca 0.00 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.49 2q4s n SER 183 Cb 0.00 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 63.84 2q4s n SER 183 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2q4s s LYS 184 N -2.00 0.30 -1.40 4.33 1.02 -0.86 -1.74 119.74 119.40 2q4s s LYS 184 Ca 0.00 0.53 -0.09 0.00 0.02 0.00 0.00 55.97 56.43 2q4s s LYS 184 Cb 0.00 0.02 0.03 0.00 -0.52 0.00 0.00 37.83 37.37 2q4s s LYS 184 CO 0.00 -0.11 1.05 1.19 -0.92 0.00 0.00 175.35 176.56 2q4s n PHE 185 N 3.67 -2.51 -0.07 3.18 3.72 0.44 -1.52 117.46 124.38 2q4s n PHE 185 Ca -0.20 0.95 0.00 0.00 -0.05 0.00 0.00 57.45 58.16 2q4s n PHE 185 Cb 0.56 -4.61 0.00 0.00 -0.94 0.00 0.00 39.48 34.48 2q4s n PHE 185 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2q4s n GLY 186 N -1.76 2.39 3.44 1.37 0.00 -1.26 -5.00 105.19 104.37 2q4s n GLY 186 Ca -0.05 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.91 4.95 0.07 -0.61 -1.09 -0.58 -4.98 121.20 116.05 2q4s s ILE 187 Ca 0.00 -0.58 -0.36 0.00 -2.23 0.00 0.00 60.65 57.48 2q4s s ILE 187 Cb 0.00 -4.26 -0.15 0.00 -1.58 0.00 0.00 42.46 36.47 2q4s s ILE 187 CO 0.00 -0.75 1.51 -1.14 -1.23 0.00 0.00 174.94 173.33 2q4s n ARG 188 N 5.97 1.60 -3.85 2.79 3.00 -1.26 -2.02 116.66 122.89 2q4s n ARG 188 Ca -0.08 0.58 -0.30 0.00 -0.00 0.00 0.00 57.85 58.06 2q4s n ARG 188 Cb 0.45 -2.29 -0.14 0.00 0.00 0.00 0.00 32.46 30.49 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 1.20 2.09 -2.00 5.15 -4.23 -0.79 -4.91 115.64 112.15 2q4s s THR 189 Ca 0.84 -3.03 0.05 0.00 -1.18 0.00 0.00 61.69 58.38 2q4s s THR 189 Cb -0.84 -2.45 0.15 0.00 1.34 0.00 0.00 72.50 70.69 2q4s s THR 189 CO 0.46 -0.85 0.78 -2.65 -0.54 0.00 0.00 174.62 171.82