#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dxk n ILE 2 N 0.00 0.86 -3.65 1.12 5.41 -1.26 -4.95 119.36 116.89 3dxk n ILE 2 Ca 0.00 -0.28 -0.37 0.00 1.00 0.00 0.00 62.75 63.10 3dxk n ILE 2 Cb 0.00 -1.31 -0.07 0.00 -0.71 0.00 0.00 39.64 37.55 3dxk n ILE 2 CO 0.00 0.00 0.00 -0.76 0.00 0.00 0.00 176.55 175.79 3dxk s LEU 3 N -6.28 4.35 0.33 1.39 1.43 -1.26 -5.02 118.68 113.62 3dxk s LEU 3 Ca -0.21 0.59 -0.29 0.00 -1.03 0.00 0.00 54.13 53.20 3dxk s LEU 3 Cb 0.07 -2.31 -0.10 0.00 0.03 0.00 0.00 46.19 43.87 3dxk s LEU 3 CO 0.32 0.26 1.31 -0.76 0.23 0.00 0.00 176.35 177.70 3dxk s LEU 4 N -0.41 4.43 0.65 1.79 1.43 -1.26 -4.98 118.68 120.32 3dxk s LEU 4 Ca 0.17 2.68 -0.14 0.00 -1.03 0.00 0.00 54.13 55.81 3dxk s LEU 4 Cb -0.13 -3.65 -0.01 0.00 0.03 0.00 0.00 46.19 42.43 3dxk s LEU 4 CO 0.06 -0.53 1.07 -1.61 0.23 0.00 0.00 176.35 175.57 3dxk s GLU 5 N -1.75 2.99 -0.12 1.70 2.02 -1.26 -4.98 118.70 117.30 3dxk s GLU 5 Ca 0.49 1.20 0.09 0.00 0.02 0.00 0.00 54.97 56.77 3dxk s GLU 5 Cb -0.40 -1.99 -0.23 0.00 0.10 0.00 0.00 34.13 31.61 3dxk s GLU 5 CO 0.53 -1.07 0.35 0.28 0.02 0.00 0.00 175.26 175.37 3dxk n VAL 6 N -2.51 1.57 -2.07 2.63 0.31 -1.26 -4.97 118.33 112.03 3dxk n VAL 6 Ca 0.09 -0.76 -0.29 0.00 -0.01 0.00 0.00 64.34 63.36 3dxk n VAL 6 Cb 0.53 -1.05 0.03 0.00 -0.91 0.00 0.00 33.84 32.44 3dxk n VAL 6 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 3dxk s ASN 7 N -6.14 5.79 -0.33 4.52 0.01 -1.26 -4.79 114.94 112.74 3dxk s ASN 7 Ca -0.13 1.11 -0.10 0.00 -0.71 0.00 0.00 52.86 53.03 3dxk s ASN 7 Cb 0.07 -2.08 -0.00 0.00 0.41 0.00 0.00 41.25 39.66 3dxk s ASN 7 CO 0.79 -1.06 0.17 0.21 -1.51 0.00 0.00 177.10 175.70 3dxk s ASN 8 N -4.27 5.65 0.34 -1.22 3.84 -0.06 -4.98 114.94 114.24 3dxk s ASN 8 Ca 0.55 -0.62 0.04 0.00 0.21 0.00 0.00 52.86 53.03 3dxk s ASN 8 Cb -0.11 -2.02 0.63 0.00 -0.55 0.00 0.00 41.25 39.20 3dxk s ASN 8 CO 0.50 -0.24 1.93 0.03 -2.79 0.00 0.00 177.10 176.53 3dxk h ARG 9 N 8.39 0.63 -0.48 0.43 3.08 -1.96 -2.03 114.38 122.44 3dxk h ARG 9 Ca -0.30 -0.09 -0.07 0.00 0.07 0.00 0.00 59.98 59.59 3dxk h ARG 9 Cb 1.14 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 31.06 3dxk h ARG 9 CO 0.63 0.54 0.04 0.82 -1.07 0.00 0.00 179.97 180.94 3dxk h ILE 10 N 0.63 1.26 0.28 2.04 2.04 -1.99 0.12 117.51 121.88 3dxk h ILE 10 Ca 0.15 -0.99 -0.01 0.00 1.00 0.00 0.00 64.86 65.01 3dxk h ILE 10 Cb 0.17 0.95 0.00 0.00 -0.74 0.00 0.00 36.82 37.20 3dxk h ILE 10 CO -0.01 0.35 -0.13 0.40 0.00 0.00 0.00 178.15 178.75 3dxk h ILE 11 N 0.69 0.74 -0.22 -0.67 2.04 -1.88 -1.07 117.51 117.13 3dxk h ILE 11 Ca 0.14 -0.09 0.01 0.00 1.00 0.00 0.00 64.86 65.92 3dxk h ILE 11 Cb 0.45 0.79 -0.02 0.00 -0.74 0.00 0.00 36.82 37.30 3dxk h ILE 11 CO 0.02 0.02 0.12 -0.33 0.00 0.00 0.00 178.15 177.98 3dxk h GLU 12 N -0.42 0.25 -0.57 2.37 5.08 -1.24 -2.06 114.58 117.99 3dxk h GLU 12 Ca -0.04 -0.01 -0.11 0.00 -1.00 0.00 0.00 59.36 58.20 3dxk h GLU 12 Cb 0.32 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.50 3dxk h GLU 12 CO 0.06 0.16 -0.07 0.93 -1.00 0.00 0.00 179.01 179.09 3dxk h GLU 13 N 0.25 1.05 -0.77 2.33 5.08 -0.74 -2.24 114.58 119.54 3dxk h GLU 13 Ca 0.09 -0.37 -0.03 0.00 -1.00 0.00 0.00 59.36 58.04 3dxk h GLU 13 Cb 0.00 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.14 3dxk h GLU 13 CO -0.05 1.07 0.35 1.15 -1.00 0.00 0.00 179.01 180.54 3dxk h THR 14 N 0.94 1.25 0.07 1.13 2.02 -1.04 -2.23 112.91 115.05 3dxk h THR 14 Ca 0.15 -0.73 -0.00 0.00 0.77 0.00 0.00 66.41 66.60 3dxk h THR 14 Cb 0.64 0.29 0.00 0.00 -1.74 0.00 0.00 68.15 67.35 3dxk h THR 14 CO 0.04 0.30 -0.03 -0.07 0.37 0.00 0.00 175.52 176.13 3dxk h LEU 15 N 1.10 -0.08 -0.86 2.58 3.38 -1.29 -2.92 115.31 117.21 3dxk h LEU 15 Ca 0.26 -0.28 0.15 0.00 0.09 0.00 0.00 57.88 58.11 3dxk h LEU 15 Cb 0.15 0.02 -0.10 0.00 0.09 0.00 0.00 40.66 40.82 3dxk h LEU 15 CO -0.03 0.24 0.45 0.00 0.09 0.00 0.00 178.44 179.19 3dxk h ALA 16 N 0.50 1.32 0.00 1.53 0.00 -1.31 0.37 119.26 121.66 3dxk h ALA 16 Ca -0.01 0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 3dxk h ALA 16 Cb 0.35 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 3dxk h ALA 16 CO 0.02 -0.10 -0.27 1.25 0.00 0.00 0.00 179.25 180.15 3dxk h LEU 17 N 0.62 0.00 0.04 0.00 5.85 -1.36 0.11 115.31 120.56 3dxk h LEU 17 Ca 0.48 0.00 -0.28 0.00 0.84 0.00 0.00 57.88 58.92 3dxk h LEU 17 Cb 0.70 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.70 3dxk h LEU 17 CO -0.37 0.27 -1.51 0.11 -0.34 0.00 0.00 178.44 176.59 3dxk h LYS 18 N 0.00 0.09 -0.07 1.25 1.79 -0.65 -3.04 116.57 115.94 3dxk h LYS 18 Ca -0.00 -0.15 -0.21 0.00 -2.18 0.00 0.00 60.65 58.10 3dxk h LYS 18 Cb 0.64 0.06 0.00 0.00 -1.58 0.00 0.00 32.23 31.35 3dxk h LYS 18 CO 0.03 0.84 -0.82 0.74 -1.08 0.00 0.00 179.45 179.16 3dxk h PHE 19 N 0.02 0.76 -0.41 -1.35 0.04 -0.19 -1.92 116.94 113.89 3dxk h PHE 19 Ca -0.22 -0.36 -0.14 0.00 2.80 0.00 0.00 57.97 60.05 3dxk h PHE 19 Cb 1.96 -0.11 -0.01 0.00 2.20 0.00 0.00 35.95 39.99 3dxk h PHE 19 CO 0.02 1.16 -0.31 1.49 -0.60 0.00 0.00 178.31 180.07 3dxk h GLU 20 N 0.35 0.93 0.00 1.51 4.81 -1.10 -2.13 114.58 118.95 3dxk h GLU 20 Ca -0.06 -0.45 -0.10 0.00 -0.13 0.00 0.00 59.36 58.62 3dxk h GLU 20 Cb 1.44 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.80 3dxk h GLU 20 CO 0.15 1.11 -0.47 -0.91 -0.73 0.00 0.00 179.01 178.16 3dxk h ASN 21 N 0.75 0.00 -0.25 1.04 2.35 -1.52 -1.73 115.58 116.23 3dxk h ASN 21 Ca 0.08 0.00 -0.20 0.00 -0.55 0.00 0.00 56.30 55.63 3dxk h ASN 21 Cb 0.89 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.27 3dxk h ASN 21 CO 0.08 0.47 -0.61 0.00 -1.65 0.00 0.00 177.43 175.72 3dxk h ALA 22 N 1.53 0.41 -0.44 -0.83 0.00 -1.22 -2.66 119.26 116.06 3dxk h ALA 22 Ca -0.00 -0.54 -0.08 0.00 0.00 0.00 0.00 54.91 54.29 3dxk h ALA 22 Cb 0.83 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 3dxk h ALA 22 CO 0.06 0.68 -0.04 0.00 0.00 0.00 0.00 179.25 179.95 3dxk h ALA 23 N 0.64 0.60 -0.86 0.00 0.00 -1.22 -3.00 119.26 115.43 3dxk h ALA 23 Ca -0.01 -0.29 0.07 0.00 0.00 0.00 0.00 54.91 54.68 3dxk h ALA 23 Cb 1.23 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 18.80 3dxk h ALA 23 CO 0.13 0.43 0.56 0.00 0.00 0.00 0.00 179.25 180.37 3dxk h ALA 24 N 0.89 1.57 0.00 0.00 0.00 -1.28 -3.46 119.26 116.97 3dxk h ALA 24 Ca 0.12 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3dxk h ALA 24 Cb 0.55 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3dxk h ALA 24 CO 0.03 0.30 0.00 0.41 0.00 0.00 0.00 179.25 179.99 3dxk n GLY 25 N -1.41 0.99 3.65 0.00 0.00 -1.09 -5.12 105.19 102.21 3dxk n GLY 25 Ca 0.13 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.84 3dxk n GLY 25 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3dxk s ASN 26 N -0.78 2.68 -0.15 1.61 0.01 -1.02 -4.97 114.94 112.32 3dxk s ASN 26 Ca 0.00 2.07 -0.25 0.00 -0.71 0.00 0.00 52.86 53.96 3dxk s ASN 26 Cb 0.00 -2.52 -0.02 0.00 0.41 0.00 0.00 41.25 39.12 3dxk s ASN 26 CO 0.00 -3.23 0.83 -0.54 -1.51 0.00 0.00 177.10 172.64 3dxk s LYS 27 N -4.63 4.33 0.17 -0.60 -0.14 -1.26 -4.75 119.74 112.85 3dxk s LYS 27 Ca 0.67 1.03 -0.34 0.00 -1.36 0.00 0.00 55.97 55.97 3dxk s LYS 27 Cb -0.23 -3.55 -0.14 0.00 -1.68 0.00 0.00 37.83 32.22 3dxk s LYS 27 CO 0.59 -0.27 1.49 -0.35 -0.76 0.00 0.00 175.35 176.04 3dxk n PRO 28 N 5.01 1.94 -3.23 -1.68 -0.04 -1.26 -5.01 135.00 130.74 3dxk n PRO 28 Ca 0.04 0.70 -0.30 0.00 -0.04 0.00 0.00 63.50 63.89 3dxk n PRO 28 Cb 0.49 -2.41 -0.04 0.00 -0.04 0.00 0.00 33.50 31.50 3dxk n PRO 28 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 3dxk s GLU 29 N 0.50 3.76 0.73 0.54 0.41 -1.26 -4.94 118.70 118.43 3dxk s GLU 29 Ca 0.77 0.28 -0.11 0.00 -0.41 0.00 0.00 54.97 55.50 3dxk s GLU 29 Cb -0.72 -2.56 0.03 0.00 -1.78 0.00 0.00 34.13 29.10 3dxk s GLU 29 CO 0.42 0.18 1.07 0.00 -0.49 0.00 0.00 175.26 176.45 3dxk s ALA 30 N -2.05 2.51 -0.07 5.21 0.00 -1.26 -4.96 121.76 121.15 3dxk s ALA 30 Ca 0.48 0.14 -0.05 0.00 0.00 0.00 0.00 51.96 52.53 3dxk s ALA 30 Cb -0.11 -3.21 0.02 0.00 0.00 0.00 0.00 23.12 19.83 3dxk s ALA 30 CO 0.26 -1.43 0.17 0.54 0.00 0.00 0.00 175.76 175.29 3dxk s VAL 31 N -3.00 -0.02 -0.25 0.00 0.11 -1.26 -5.10 120.40 110.89 3dxk s VAL 31 Ca 0.59 0.06 -0.02 0.00 -2.93 0.00 0.00 61.98 59.68 3dxk s VAL 31 Cb -0.15 -0.25 0.12 0.00 -1.53 0.00 0.00 36.38 34.57 3dxk s VAL 31 CO 0.55 0.02 0.27 -0.70 -3.33 0.00 0.00 175.10 171.92 3dxk s GLU 32 N 0.46 0.27 -0.02 1.54 2.56 -1.26 -3.54 118.70 118.71 3dxk s GLU 32 Ca -0.03 0.05 0.01 0.00 0.00 0.00 0.00 54.97 55.00 3dxk s GLU 32 Cb -0.05 -0.88 0.02 0.00 2.00 0.00 0.00 34.13 35.22 3dxk s GLU 32 CO -0.02 -0.84 -0.03 0.08 -0.56 0.00 0.00 175.26 173.89 3dxk s VAL 33 N 2.36 0.33 -0.15 3.70 1.01 0.01 -4.99 120.40 122.67 3dxk s VAL 33 Ca 0.09 -0.06 0.01 0.00 0.00 0.00 0.00 61.98 62.02 3dxk s VAL 33 Cb -0.15 -0.35 0.02 0.00 0.00 0.00 0.00 36.38 35.90 3dxk s VAL 33 CO -0.23 0.15 -0.18 -0.89 0.00 0.00 0.00 175.10 173.95 3dxk s THR 34 N 0.59 1.82 0.32 3.92 2.01 -1.26 -1.37 115.64 121.67 3dxk s THR 34 Ca -0.06 -0.81 -0.03 0.00 0.31 0.00 0.00 61.69 61.09 3dxk s THR 34 Cb -0.10 -1.65 -0.00 0.00 0.01 0.00 0.00 72.50 70.76 3dxk s THR 34 CO -0.01 0.50 0.43 0.72 -0.69 0.00 0.00 174.62 175.58 3dxk s PHE 35 N 1.17 1.01 0.14 4.92 -0.12 -1.17 -5.02 117.98 118.91 3dxk s PHE 35 Ca -0.00 -1.24 0.01 0.00 -0.05 0.00 0.00 56.93 55.65 3dxk s PHE 35 Cb -0.14 -0.13 -0.00 0.00 -0.63 0.00 0.00 43.02 42.12 3dxk s PHE 35 CO -0.07 -1.05 0.03 0.00 -0.05 0.00 0.00 175.22 174.07 3dxk n ALA 36 N -0.51 0.17 -3.03 1.99 0.00 -1.26 -0.84 120.51 117.03 3dxk n ALA 36 Ca 0.01 -0.67 -0.11 0.00 0.00 0.00 0.00 53.44 52.67 3dxk n ALA 36 Cb 0.62 0.42 -0.05 0.00 0.00 0.00 0.00 19.45 20.45 3dxk n ALA 36 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3dxk s ASP 37 N -1.81 0.29 0.86 0.00 -1.08 -0.01 -4.88 116.67 110.04 3dxk s ASP 37 Ca 0.04 -1.18 -0.11 0.00 -0.52 0.00 0.00 52.55 50.79 3dxk s ASP 37 Cb 0.00 0.61 0.11 0.00 -1.46 0.00 0.00 42.92 42.19 3dxk s ASP 37 CO 0.03 -1.20 1.15 -0.36 0.52 0.00 0.00 175.17 175.31 3dxk s PHE 38 N -3.59 1.85 -0.99 -5.34 0.40 -1.26 -3.21 117.98 105.83 3dxk s PHE 38 Ca 0.26 1.72 -0.06 0.00 -0.60 0.00 0.00 56.93 58.26 3dxk s PHE 38 Cb -0.00 -3.32 0.01 0.00 0.51 0.00 0.00 43.02 40.21 3dxk s PHE 38 CO 0.13 -2.62 0.76 -0.25 0.70 0.00 0.00 175.22 173.95 3dxk n ASP 39 N -3.86 -5.06 -1.80 1.36 8.00 -1.26 -3.39 116.55 110.55 3dxk n ASP 39 Ca 0.12 -0.35 -0.19 0.00 0.71 0.00 0.00 54.79 55.08 3dxk n ASP 39 Cb 0.52 -3.70 -0.05 0.00 -0.02 0.00 0.00 41.12 37.87 3dxk n ASP 39 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3dxk n GLY 40 N -1.52 0.83 3.71 0.44 0.00 -1.25 -4.83 105.19 102.57 3dxk n GLY 40 Ca -0.01 -0.09 -0.42 0.00 0.00 0.00 0.00 46.02 45.51 3dxk n GLY 40 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dxk s VAL 41 N -2.83 4.78 -0.08 1.61 1.01 -1.20 -4.67 120.40 119.03 3dxk s VAL 41 Ca 0.00 2.04 0.03 0.00 0.00 0.00 0.00 61.98 64.05 3dxk s VAL 41 Cb 0.00 -4.30 -0.02 0.00 0.00 0.00 0.00 36.38 32.06 3dxk s VAL 41 CO 0.00 0.18 -0.18 -0.22 0.00 0.00 0.00 175.10 174.88 3dxk s LEU 42 N 0.86 2.45 0.28 3.92 2.96 -0.87 -0.83 118.68 127.45 3dxk s LEU 42 Ca 0.52 -0.37 0.10 0.00 -0.22 0.00 0.00 54.13 54.16 3dxk s LEU 42 Cb -0.22 -1.50 -0.05 0.00 0.50 0.00 0.00 46.19 44.92 3dxk s LEU 42 CO 0.28 0.24 -0.16 -0.31 -1.32 0.00 0.00 176.35 175.09 3dxk s TYR 43 N -0.14 2.18 -0.19 5.38 1.51 -0.02 0.52 117.35 126.60 3dxk s TYR 43 Ca -0.03 -0.43 -0.08 0.00 -1.01 0.00 0.00 57.07 55.52 3dxk s TYR 43 Cb -0.14 -1.04 0.08 0.00 -0.11 0.00 0.00 41.96 40.75 3dxk s TYR 43 CO 0.04 0.60 0.43 -1.58 -1.11 0.00 0.00 175.55 173.92 3dxk s HIS 44 N -2.65 -0.73 -0.11 2.71 2.46 -0.16 -3.03 115.29 113.79 3dxk s HIS 44 Ca 0.29 1.45 0.01 0.00 0.47 0.00 0.00 55.06 57.29 3dxk s HIS 44 Cb -0.02 0.31 -0.01 0.00 -0.13 0.00 0.00 32.58 32.72 3dxk s HIS 44 CO 0.14 -0.42 -0.16 0.42 -2.47 0.00 0.00 174.74 172.24 3dxk s ILE 45 N 2.02 2.77 0.16 0.89 1.01 -0.47 -0.54 121.20 127.04 3dxk s ILE 45 Ca -0.06 -0.77 -0.24 0.00 0.00 0.00 0.00 60.65 59.58 3dxk s ILE 45 Cb -0.10 -2.13 0.06 0.00 0.01 0.00 0.00 42.46 40.31 3dxk s ILE 45 CO -0.13 0.54 0.97 -0.94 0.00 0.00 0.00 174.94 175.38 3dxk s SER 46 N 0.22 -0.15 -0.50 3.58 1.04 -0.64 -0.81 113.70 116.45 3dxk s SER 46 Ca -0.10 -0.46 -0.18 0.00 0.48 0.00 0.00 55.95 55.69 3dxk s SER 46 Cb -0.16 0.50 0.06 0.00 0.10 0.00 0.00 66.02 66.52 3dxk s SER 46 CO 0.06 -0.93 0.55 0.20 0.98 0.00 0.00 173.24 174.10 3dxk s ASN 47 N -3.00 6.20 -0.04 7.02 0.02 -1.23 -1.09 114.94 122.82 3dxk s ASN 47 Ca 0.14 -1.07 -0.31 0.00 -1.02 0.00 0.00 52.86 50.59 3dxk s ASN 47 Cb -0.02 -2.25 -0.10 0.00 0.02 0.00 0.00 41.25 38.90 3dxk s ASN 47 CO 0.03 -0.82 1.97 -0.81 0.02 0.00 0.00 177.10 177.49 3dxk n PRO 48 N 5.85 2.52 -2.81 -0.60 -0.04 -1.26 -1.68 135.00 136.98 3dxk n PRO 48 Ca -0.09 0.91 -0.19 0.00 -0.04 0.00 0.00 63.50 64.09 3dxk n PRO 48 Cb 0.45 -2.89 0.02 0.00 -0.04 0.00 0.00 33.50 31.04 3dxk n PRO 48 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3dxk n ASN 49 N 7.61 -5.50 0.00 3.54 4.13 -1.26 -2.66 115.26 121.12 3dxk n ASN 49 Ca 0.22 -0.21 0.00 0.00 1.68 0.00 0.00 54.58 56.27 3dxk n ASN 49 Cb 0.37 -4.38 0.00 0.00 -1.54 0.00 0.00 39.78 34.23 3dxk n ASN 49 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3dxk n GLY 50 N -1.35 0.47 3.55 7.41 0.00 -0.68 -4.94 105.19 109.65 3dxk n GLY 50 Ca -0.12 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.51 3dxk n GLY 50 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3dxk s ASP 51 N -2.43 5.70 0.00 1.61 3.68 -1.09 -4.85 116.67 119.29 3dxk s ASP 51 Ca 0.00 -0.12 0.03 0.00 2.13 0.00 0.00 52.55 54.59 3dxk s ASP 51 Cb 0.00 -2.55 0.15 0.00 -1.45 0.00 0.00 42.92 39.08 3dxk s ASP 51 CO 0.00 -2.13 1.01 0.29 0.13 0.00 0.00 175.17 174.47 3dxk n LYS 52 N 9.25 0.02 -0.01 4.34 5.02 -1.26 -1.88 118.16 133.64 3dxk n LYS 52 Ca 0.14 0.35 0.13 0.00 -2.02 0.00 0.00 58.31 56.91 3dxk n LYS 52 Cb 0.50 -1.50 0.48 0.00 -0.02 0.00 0.00 35.03 34.49 3dxk n LYS 52 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 3dxk n THR 53 N -1.39 0.03 -4.57 -0.18 -2.24 -1.26 -4.71 114.28 99.96 3dxk n THR 53 Ca 0.01 -0.28 -0.22 0.00 -2.27 0.00 0.00 64.05 61.29 3dxk n THR 53 Cb 0.03 0.56 -0.15 0.00 -2.10 0.00 0.00 70.33 68.67 3dxk n THR 53 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3dxk s LYS 54 N -1.97 1.16 -0.13 -0.78 3.01 -0.79 -1.42 119.74 118.82 3dxk s LYS 54 Ca 0.37 -0.44 0.02 0.00 -1.01 0.00 0.00 55.97 54.91 3dxk s LYS 54 Cb 0.21 -1.08 0.01 0.00 -1.01 0.00 0.00 37.83 35.96 3dxk s LYS 54 CO 0.32 0.22 -0.19 0.08 0.51 0.00 0.00 175.35 176.29 3dxk s VAL 55 N -0.07 1.80 -0.11 3.17 1.01 -0.15 -4.31 120.40 121.74 3dxk s VAL 55 Ca 0.01 -0.82 -0.01 0.00 0.00 0.00 0.00 61.98 61.16 3dxk s VAL 55 Cb -0.07 -1.62 -0.03 0.00 0.00 0.00 0.00 36.38 34.66 3dxk s VAL 55 CO 0.00 0.50 -0.06 -0.32 0.00 0.00 0.00 175.10 175.22 3dxk s MET 56 N 0.94 3.19 -0.20 2.72 1.75 -0.25 -0.80 119.30 126.65 3dxk s MET 56 Ca -0.06 -0.55 -0.01 0.00 -1.25 0.00 0.00 55.69 53.82 3dxk s MET 56 Cb -0.15 -2.72 0.01 0.00 2.84 0.00 0.00 34.83 34.81 3dxk s MET 56 CO -0.03 0.45 -0.13 0.08 -0.65 0.00 0.00 175.02 174.74 3dxk s VAL 57 N -0.21 2.56 0.07 10.11 1.01 -0.17 -1.62 120.40 132.15 3dxk s VAL 57 Ca 0.03 -0.84 0.09 0.00 0.00 0.00 0.00 61.98 61.25 3dxk s VAL 57 Cb -0.13 -2.15 -0.03 0.00 0.00 0.00 0.00 36.38 34.07 3dxk s VAL 57 CO 0.03 0.44 -0.23 -0.44 0.00 0.00 0.00 175.10 174.89 3dxk s SER 58 N 1.34 2.82 0.05 3.32 0.01 0.29 -0.59 113.70 120.95 3dxk s SER 58 Ca 0.04 -0.62 0.06 0.00 1.31 0.00 0.00 55.95 56.74 3dxk s SER 58 Cb -0.14 -0.21 -0.03 0.00 0.21 0.00 0.00 66.02 65.85 3dxk s SER 58 CO -0.09 0.17 -0.18 -0.51 0.41 0.00 0.00 173.24 173.04 3dxk s ILE 59 N -0.93 1.45 -0.12 1.44 2.07 -0.79 -0.99 121.20 123.33 3dxk s ILE 59 Ca 0.10 -1.18 -0.00 0.00 -1.41 0.00 0.00 60.65 58.16 3dxk s ILE 59 Cb -0.10 -1.29 0.02 0.00 0.13 0.00 0.00 42.46 41.23 3dxk s ILE 59 CO 0.03 0.08 -0.09 -0.55 -1.91 0.00 0.00 174.94 172.49 3dxk s SER 60 N -1.29 2.25 -0.14 4.50 0.15 0.19 -0.82 113.70 118.53 3dxk s SER 60 Ca 0.05 -0.34 0.01 0.00 0.70 0.00 0.00 55.95 56.36 3dxk s SER 60 Cb -0.09 -0.91 0.02 0.00 -1.71 0.00 0.00 66.02 63.33 3dxk s SER 60 CO 0.02 -0.09 -0.14 -0.76 1.20 0.00 0.00 173.24 173.46 3dxk s LEU 61 N 1.57 1.69 0.61 3.45 1.02 -1.26 -2.05 118.68 123.71 3dxk s LEU 61 Ca 0.03 -0.48 0.29 0.00 0.02 0.00 0.00 54.13 53.99 3dxk s LEU 61 Cb -0.13 -1.17 1.54 0.00 0.02 0.00 0.00 46.19 46.45 3dxk s LEU 61 CO -0.08 -0.05 1.92 0.11 0.02 0.00 0.00 176.35 178.28 3dxk h LYS 62 N 7.96 0.00 -0.43 1.70 1.57 -1.91 -0.84 116.57 124.62 3dxk h LYS 62 Ca -0.37 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.25 3dxk h LYS 62 Cb 1.14 0.00 -0.09 0.00 0.08 0.00 0.00 32.23 33.36 3dxk h LYS 62 CO 0.52 0.00 0.06 1.97 -0.57 0.00 0.00 179.45 181.44 3dxk n PHE 63 N -3.47 1.40 -0.08 -1.35 1.16 -1.26 -4.74 117.46 109.12 3dxk n PHE 63 Ca 0.04 -1.33 -0.09 0.00 -1.87 0.00 0.00 57.45 54.21 3dxk n PHE 63 Cb 0.54 -0.50 -0.02 0.00 -1.61 0.00 0.00 39.48 37.89 3dxk n PHE 63 CO 0.00 0.00 0.00 -0.92 -1.87 0.00 0.00 176.76 173.97 3dxk h TYR 64 N 1.49 0.37 -0.99 2.97 3.20 -1.56 -2.84 116.97 119.62 3dxk h TYR 64 Ca 0.19 0.01 0.32 0.00 3.14 0.00 0.00 58.73 62.40 3dxk h TYR 64 Cb 1.79 -0.13 -0.15 0.00 1.54 0.00 0.00 36.73 39.78 3dxk h TYR 64 CO 0.94 0.23 0.50 0.87 -1.64 0.00 0.00 178.16 179.06 3dxk h LYS 65 N 0.40 0.24 -0.35 1.82 1.79 -1.85 0.38 116.57 118.99 3dxk h LYS 65 Ca 0.11 -0.01 -0.10 0.00 -2.18 0.00 0.00 60.65 58.47 3dxk h LYS 65 Cb -0.04 -0.05 -0.02 0.00 -1.58 0.00 0.00 32.23 30.54 3dxk h LYS 65 CO -0.03 0.16 -0.20 0.93 -1.08 0.00 0.00 179.45 179.23 3dxk h GLU 66 N 0.25 0.67 0.00 3.15 5.08 -1.88 -2.30 114.58 119.54 3dxk h GLU 66 Ca 0.73 -0.25 -0.10 0.00 -1.00 0.00 0.00 59.36 58.73 3dxk h GLU 66 Cb 1.68 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.87 3dxk h GLU 66 CO -0.65 0.82 -0.49 -0.07 -1.00 0.00 0.00 179.01 177.62 3dxk h LEU 67 N 0.59 0.00 -0.83 1.33 3.38 -0.41 -3.17 115.31 116.20 3dxk h LEU 67 Ca 0.09 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.96 3dxk h LEU 67 Cb 0.66 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 3dxk h LEU 67 CO 0.05 0.49 -0.22 -0.61 0.09 0.00 0.00 178.44 178.24 3dxk h GLN 68 N 0.00 0.63 -0.35 1.13 4.15 -0.50 -1.93 115.11 118.25 3dxk h GLN 68 Ca -0.00 -0.24 0.00 0.00 0.77 0.00 0.00 58.65 59.18 3dxk h GLN 68 Cb 1.30 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 28.95 3dxk h GLN 68 CO 0.06 0.80 0.00 0.00 -1.93 0.00 0.00 178.83 177.77 3dxk n ALA 69 N -2.49 2.38 -2.56 3.38 0.00 -0.89 -3.38 120.51 116.95 3dxk n ALA 69 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.46 3dxk n ALA 69 Cb 0.41 -1.00 0.04 0.00 0.00 0.00 0.00 19.45 18.90 3dxk n ALA 69 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3dxk n HIS 70 N -0.29 0.52 -0.57 0.00 8.25 -0.76 -4.99 115.22 117.38 3dxk n HIS 70 Ca 0.00 -1.17 0.00 0.00 -0.26 0.00 0.00 57.72 56.29 3dxk n HIS 70 Cb 0.09 -0.19 0.00 0.00 1.12 0.00 0.00 29.99 31.01 3dxk n HIS 70 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3dxk n GLY 71 N 0.00 0.73 0.13 -1.41 0.00 -1.22 -3.47 105.19 99.96 3dxk n GLY 71 Ca 0.08 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.05 3dxk n GLY 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dxk h ALA 72 N 0.00 -0.75 -0.77 4.61 0.00 -1.60 0.63 119.26 121.39 3dxk h ALA 72 Ca 0.00 -0.04 0.17 0.00 0.00 0.00 0.00 54.91 55.04 3dxk h ALA 72 Cb 0.00 0.49 -0.11 0.00 0.00 0.00 0.00 17.79 18.17 3dxk h ALA 72 CO 0.00 -0.78 0.20 -0.44 0.00 0.00 0.00 179.25 178.23 3dxk h ASP 73 N -0.24 0.04 -0.07 0.00 3.32 -1.85 -0.28 116.42 117.34 3dxk h ASP 73 Ca -0.01 0.15 -0.00 0.00 0.02 0.00 0.00 57.03 57.19 3dxk h ASP 73 Cb 0.22 0.20 -0.00 0.00 0.22 0.00 0.00 39.33 39.97 3dxk h ASP 73 CO -0.05 -0.04 0.03 -0.33 -1.72 0.00 0.00 179.24 177.13 3dxk h GLU 74 N 0.28 0.10 -0.15 3.56 3.07 -1.90 -0.79 114.58 118.75 3dxk h GLU 74 Ca 0.44 -0.02 0.01 0.00 -0.50 0.00 0.00 59.36 59.29 3dxk h GLU 74 Cb 0.77 -0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.65 3dxk h GLU 74 CO -0.53 0.20 0.09 1.25 -1.40 0.00 0.00 179.01 178.62 3dxk h LEU 75 N -0.01 0.14 -0.61 1.33 6.46 -0.12 -2.19 115.31 120.31 3dxk h LEU 75 Ca 0.02 0.00 0.11 0.00 -0.12 0.00 0.00 57.88 57.90 3dxk h LEU 75 Cb 0.13 -0.03 -0.08 0.00 -0.73 0.00 0.00 40.66 39.95 3dxk h LEU 75 CO -0.00 0.10 0.17 -0.07 -0.62 0.00 0.00 178.44 178.02 3dxk h LEU 76 N 0.18 0.09 -0.51 2.25 3.38 -0.92 -2.07 115.31 117.70 3dxk h LEU 76 Ca 0.06 0.10 -0.02 0.00 0.09 0.00 0.00 57.88 58.11 3dxk h LEU 76 Cb -0.00 0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 3dxk h LEU 76 CO -0.03 0.05 0.26 0.50 0.09 0.00 0.00 178.44 179.31 3dxk h LYS 77 N 0.31 0.73 -1.01 1.13 1.63 -0.74 -0.24 116.57 118.38 3dxk h LYS 77 Ca 0.32 -0.10 0.06 0.00 -0.85 0.00 0.00 60.65 60.08 3dxk h LYS 77 Cb 0.45 -0.14 -0.07 0.00 -0.60 0.00 0.00 32.23 31.88 3dxk h LYS 77 CO -0.37 0.59 0.65 0.00 -3.45 0.00 0.00 179.45 176.87 3dxk h ARG 78 N 0.69 1.16 0.22 1.90 3.08 -0.79 0.76 114.38 121.39 3dxk h ARG 78 Ca 0.18 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 60.15 3dxk h ARG 78 Cb 0.09 -0.26 0.00 0.00 0.08 0.00 0.00 29.97 29.88 3dxk h ARG 78 CO -0.02 0.77 -0.10 0.28 -1.07 0.00 0.00 179.97 179.82 3dxk h VAL 79 N 1.19 0.48 0.00 2.04 2.07 -0.98 -3.38 116.25 117.68 3dxk h VAL 79 Ca 0.43 -0.98 0.00 0.00 0.82 0.00 0.00 66.70 66.97 3dxk h VAL 79 Cb 0.14 0.83 0.00 0.00 -1.52 0.00 0.00 31.29 30.74 3dxk h VAL 79 CO -0.17 0.13 -0.92 -1.22 0.02 0.00 0.00 177.57 175.42 3dxk n TYR 80 N -4.96 0.58 0.00 1.57 4.02 -0.14 -4.98 117.16 113.25 3dxk n TYR 80 Ca -0.06 0.17 0.00 0.00 -0.01 0.00 0.00 57.90 58.00 3dxk n TYR 80 Cb 0.22 -0.68 0.00 0.00 -0.02 0.00 0.00 39.34 38.86 3dxk n TYR 80 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3dxk n GLY 81 N 1.29 2.23 0.00 2.72 0.00 0.27 -0.43 105.19 111.27 3dxk n GLY 81 Ca 0.02 0.34 0.03 0.00 0.00 0.00 0.00 46.02 46.41 3dxk n GLY 81 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3dxk n SER 82 N 2.73 0.00 0.05 1.61 3.41 -1.26 -1.39 113.62 118.76 3dxk n SER 82 Ca 0.00 -0.05 0.06 0.00 -0.26 0.00 0.00 58.87 58.61 3dxk n SER 82 Cb 0.00 -0.11 -0.07 0.00 -0.26 0.00 0.00 64.21 63.77 3dxk n SER 82 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 3dxk n TYR 83 N -1.11 0.76 -2.55 7.33 4.02 0.43 -4.85 117.16 121.19 3dxk n TYR 83 Ca 0.04 0.24 -0.41 0.00 -0.01 0.00 0.00 57.90 57.76 3dxk n TYR 83 Cb 0.03 -0.93 -0.04 0.00 -0.02 0.00 0.00 39.34 38.38 3dxk n TYR 83 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 176.86 174.68 3dxk s LEU 84 N -5.38 4.47 0.36 7.72 0.20 -0.49 -0.22 118.68 125.34 3dxk s LEU 84 Ca -0.03 2.01 0.07 0.00 0.69 0.00 0.00 54.13 56.87 3dxk s LEU 84 Cb 0.10 -3.60 -0.03 0.00 -0.43 0.00 0.00 46.19 42.23 3dxk s LEU 84 CO 0.82 -0.22 0.25 0.68 -0.29 0.00 0.00 176.35 177.59 3dxk s VAL 85 N -0.01 0.13 0.17 1.68 -7.23 -0.55 -4.91 120.40 109.68 3dxk s VAL 85 Ca 0.50 -2.00 -0.32 0.00 -1.81 0.00 0.00 61.98 58.36 3dxk s VAL 85 Cb -0.28 -2.44 -0.11 0.00 0.56 0.00 0.00 36.38 34.10 3dxk s VAL 85 CO 0.33 0.00 1.77 0.20 -0.31 0.00 0.00 175.10 177.09 3dxk s ASN 86 N -3.44 6.40 0.05 4.85 0.01 -1.26 -4.26 114.94 117.28 3dxk s ASN 86 Ca 0.36 2.82 -0.33 0.00 -0.71 0.00 0.00 52.86 55.00 3dxk s ASN 86 Cb 0.02 -2.58 -0.12 0.00 0.41 0.00 0.00 41.25 38.98 3dxk s ASN 86 CO 0.25 -0.99 1.80 -0.81 -1.51 0.00 0.00 177.10 175.84 3dxk n PRO 87 N 4.80 2.40 -1.64 -0.60 -0.04 -1.26 -4.76 135.00 133.90 3dxk n PRO 87 Ca 0.17 0.88 -0.44 0.00 -0.04 0.00 0.00 63.50 64.07 3dxk n PRO 87 Cb 0.37 -2.73 -0.01 0.00 -0.04 0.00 0.00 33.50 31.09 3dxk n PRO 87 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 3dxk n GLU 88 N 5.61 1.69 -1.66 0.54 2.13 -1.26 -4.83 120.64 122.86 3dxk n GLU 88 Ca 0.20 0.59 -0.45 0.00 0.66 0.00 0.00 57.16 58.16 3dxk n GLU 88 Cb 0.32 -2.06 -0.04 0.00 0.27 0.00 0.00 31.44 29.94 3dxk n GLU 88 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 3dxk n SER 89 N 1.01 3.77 0.00 4.31 2.88 -1.26 -0.81 113.62 123.52 3dxk n SER 89 Ca 0.07 0.86 0.00 0.00 -1.33 0.00 0.00 58.87 58.48 3dxk n SER 89 Cb 0.34 -1.46 0.00 0.00 -0.75 0.00 0.00 64.21 62.34 3dxk n SER 89 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3dxk n GLY 90 N 4.64 0.76 3.31 0.46 0.00 -1.26 -5.08 105.19 108.02 3dxk n GLY 90 Ca 0.22 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.08 3dxk n GLY 90 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3dxk s TYR 91 N -2.00 1.50 -0.21 1.61 1.51 0.01 -4.78 117.35 114.99 3dxk s TYR 91 Ca 0.00 -0.96 0.11 0.00 -1.01 0.00 0.00 57.07 55.21 3dxk s TYR 91 Cb 0.00 -0.87 -0.22 0.00 -0.11 0.00 0.00 41.96 40.76 3dxk s TYR 91 CO 0.00 -0.09 0.02 0.09 -1.11 0.00 0.00 175.55 174.45 3dxk n ASN 92 N -0.39 0.81 -4.04 2.29 4.13 -0.00 -4.49 115.26 113.56 3dxk n ASN 92 Ca -0.05 -0.01 -0.20 0.00 1.68 0.00 0.00 54.58 56.00 3dxk n ASN 92 Cb 0.64 0.38 -0.15 0.00 -1.54 0.00 0.00 39.78 39.11 3dxk n ASN 92 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 3dxk s VAL 93 N -2.51 0.82 -0.05 2.41 1.01 -1.19 -4.63 120.40 116.27 3dxk s VAL 93 Ca -0.19 -0.44 0.01 0.00 0.00 0.00 0.00 61.98 61.37 3dxk s VAL 93 Cb 0.07 -0.69 0.02 0.00 0.00 0.00 0.00 36.38 35.78 3dxk s VAL 93 CO 0.75 0.23 -0.05 -0.44 0.00 0.00 0.00 175.10 175.59 3dxk s SER 94 N -0.20 1.04 -0.13 3.32 0.01 -1.26 -1.88 113.70 114.60 3dxk s SER 94 Ca 0.03 -0.15 -0.03 0.00 1.31 0.00 0.00 55.95 57.11 3dxk s SER 94 Cb -0.04 -0.49 -0.03 0.00 0.21 0.00 0.00 66.02 65.66 3dxk s SER 94 CO -0.00 -0.05 -0.01 -0.76 0.41 0.00 0.00 173.24 172.83 3dxk s LEU 95 N 0.90 3.44 -0.21 2.44 1.43 0.24 -1.48 118.68 125.43 3dxk s LEU 95 Ca -0.11 0.01 0.01 0.00 -1.03 0.00 0.00 54.13 53.01 3dxk s LEU 95 Cb -0.14 -1.81 0.03 0.00 0.03 0.00 0.00 46.19 44.29 3dxk s LEU 95 CO 0.00 0.26 -0.16 -0.22 0.23 0.00 0.00 176.35 176.47 3dxk s LEU 96 N -0.20 2.59 -0.15 1.79 2.96 0.69 -1.00 118.68 125.37 3dxk s LEU 96 Ca 0.05 -0.86 -0.03 0.00 -0.22 0.00 0.00 54.13 53.07 3dxk s LEU 96 Cb -0.13 -1.52 -0.03 0.00 0.50 0.00 0.00 46.19 45.01 3dxk s LEU 96 CO 0.02 -0.06 -0.05 -0.31 -1.32 0.00 0.00 176.35 174.63 3dxk s TYR 97 N 1.25 3.01 -0.40 5.38 1.51 0.02 -4.72 117.35 123.40 3dxk s TYR 97 Ca 0.01 -0.30 -0.15 0.00 -1.01 0.00 0.00 57.07 55.62 3dxk s TYR 97 Cb -0.15 -1.93 0.02 0.00 -0.11 0.00 0.00 41.96 39.78 3dxk s TYR 97 CO -0.10 -0.02 0.33 0.34 -1.11 0.00 0.00 175.55 174.99 3dxk s ASP 98 N 0.28 6.13 0.59 2.29 -1.08 -1.26 -0.98 116.67 122.64 3dxk s ASP 98 Ca -0.04 -0.76 0.35 0.00 -0.52 0.00 0.00 52.55 51.58 3dxk s ASP 98 Cb -0.14 -2.18 1.93 0.00 -1.46 0.00 0.00 42.92 41.07 3dxk s ASP 98 CO 0.03 -0.46 2.08 -0.07 0.52 0.00 0.00 175.17 177.27 3dxk h LEU 99 N 8.73 0.00 -1.75 -1.34 3.38 -1.63 0.20 115.31 122.91 3dxk h LEU 99 Ca -0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.70 3dxk h LEU 99 Cb 1.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.87 3dxk h LEU 99 CO 0.74 0.00 0.00 -0.62 0.09 0.00 0.00 178.44 178.65 3dxk n GLU 100 N -2.84 2.16 -2.80 1.13 1.02 -1.26 -4.43 120.64 113.61 3dxk n GLU 100 Ca -0.02 -1.73 -0.11 0.00 -0.02 0.00 0.00 57.16 55.28 3dxk n GLU 100 Cb 0.16 -1.47 0.03 0.00 -0.02 0.00 0.00 31.44 30.14 3dxk n GLU 100 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 3dxk n ASN 101 N 0.99 0.69 -4.81 1.62 5.15 0.70 -5.12 115.26 114.48 3dxk n ASN 101 Ca 0.17 -2.81 -0.37 0.00 -0.60 0.00 0.00 54.58 50.98 3dxk n ASN 101 Cb 0.50 -0.24 -0.06 0.00 -0.53 0.00 0.00 39.78 39.45 3dxk n ASN 101 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 3dxk s LEU 102 N -2.91 4.40 1.07 1.20 1.43 -1.21 -4.73 118.68 117.93 3dxk s LEU 102 Ca 0.29 1.38 -0.12 0.00 -1.03 0.00 0.00 54.13 54.66 3dxk s LEU 102 Cb 0.42 -3.41 0.23 0.00 0.03 0.00 0.00 46.19 43.45 3dxk s LEU 102 CO -0.01 0.10 1.07 -2.16 0.23 0.00 0.00 176.35 175.58 3dxk s PRO 103 N -1.75 -0.17 0.08 1.29 0.04 -1.26 -4.94 135.00 128.29 3dxk s PRO 103 Ca 0.39 1.08 -0.26 0.00 0.04 0.00 0.00 61.00 62.25 3dxk s PRO 103 Cb -0.18 -1.62 -0.16 0.00 0.04 0.00 0.00 34.50 32.58 3dxk s PRO 103 CO 0.21 -3.29 1.69 0.00 0.04 0.00 0.00 177.00 175.65 3dxk h ALA 104 N -2.32 -0.32 -2.59 8.56 0.00 -2.07 -3.31 119.26 117.21 3dxk h ALA 104 Ca -0.55 -0.07 -0.78 0.00 0.00 0.00 0.00 54.91 53.51 3dxk h ALA 104 Cb 1.31 0.12 -0.25 0.00 0.00 0.00 0.00 17.79 18.97 3dxk h ALA 104 CO 0.48 -0.67 0.35 0.45 0.00 0.00 0.00 179.25 179.85 3dxk s SER 105 N -4.92 6.90 0.41 0.00 0.15 -1.26 -4.88 113.70 110.09 3dxk s SER 105 Ca -0.15 -2.84 0.28 0.00 0.70 0.00 0.00 55.95 53.94 3dxk s SER 105 Cb 0.05 -2.24 1.41 0.00 -1.71 0.00 0.00 66.02 63.52 3dxk s SER 105 CO 0.64 -0.58 1.86 0.11 1.20 0.00 0.00 173.24 176.48 3dxk h LYS 106 N 7.61 0.00 -0.11 5.44 1.57 -1.95 -2.87 116.57 126.25 3dxk h LYS 106 Ca 0.14 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.78 3dxk h LYS 106 Cb 0.99 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.29 3dxk h LYS 106 CO 0.89 0.00 -0.56 0.22 -0.57 0.00 0.00 179.45 179.42 3dxk h ASP 107 N 0.00 0.39 -0.60 0.86 1.82 -1.94 -3.00 116.42 113.96 3dxk h ASP 107 Ca 0.00 -0.21 -0.05 0.00 -0.39 0.00 0.00 57.03 56.38 3dxk h ASP 107 Cb 0.16 -0.11 -0.03 0.00 0.68 0.00 0.00 39.33 40.04 3dxk h ASP 107 CO 0.00 0.87 0.18 0.28 -1.61 0.00 0.00 179.24 178.97 3dxk h SER 108 N 0.27 0.87 1.37 2.28 0.02 -1.94 -2.66 113.55 113.75 3dxk h SER 108 Ca 0.00 -0.21 -0.10 0.00 -0.84 0.00 0.00 61.79 60.65 3dxk h SER 108 Cb 1.07 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 63.37 3dxk h SER 108 CO 0.09 0.85 -0.46 0.16 -1.14 0.00 0.00 176.83 176.33 3dxk h ILE 109 N 0.85 0.84 -0.11 3.27 3.07 -1.73 -3.07 117.51 120.62 3dxk h ILE 109 Ca 0.19 -2.04 -0.11 0.00 1.55 0.00 0.00 64.86 64.46 3dxk h ILE 109 Cb 0.29 2.31 -0.01 0.00 -0.27 0.00 0.00 36.82 39.14 3dxk h ILE 109 CO -0.01 0.45 -0.40 0.58 -1.05 0.00 0.00 178.15 177.73 3dxk h VAL 110 N 0.00 1.31 -0.40 0.16 2.07 -1.37 -1.84 116.25 116.18 3dxk h VAL 110 Ca -0.00 -1.50 -0.15 0.00 0.82 0.00 0.00 66.70 65.87 3dxk h VAL 110 Cb 1.27 1.66 -0.01 0.00 -1.52 0.00 0.00 31.29 32.70 3dxk h VAL 110 CO 0.06 0.45 -0.34 -0.74 0.02 0.00 0.00 177.57 177.02 3dxk h HIS 111 N 0.21 1.10 -0.08 1.57 -0.00 -1.43 -2.84 115.15 113.68 3dxk h HIS 111 Ca 0.02 -0.31 -0.17 0.00 -0.00 0.00 0.00 60.37 59.91 3dxk h HIS 111 Cb 0.80 -0.24 -0.01 0.00 -0.00 0.00 0.00 27.41 27.97 3dxk h HIS 111 CO 0.01 1.13 -0.67 1.96 -0.00 0.00 0.00 177.93 180.37 3dxk h GLN 112 N 0.77 0.32 -0.56 5.26 1.08 -1.42 -3.10 115.11 117.46 3dxk h GLN 112 Ca 0.07 -0.25 -0.03 0.00 -1.45 0.00 0.00 58.65 57.00 3dxk h GLN 112 Cb 0.93 0.05 -0.03 0.00 -0.05 0.00 0.00 27.48 28.38 3dxk h GLN 112 CO 0.09 0.88 0.23 0.00 -0.95 0.00 0.00 178.83 179.08 3dxk h ALA 113 N 1.06 0.73 0.00 3.87 0.00 -1.33 -1.35 119.26 122.24 3dxk h ALA 113 Ca -0.02 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3dxk h ALA 113 Cb 1.21 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.78 3dxk h ALA 113 CO 0.11 0.34 0.00 0.41 0.00 0.00 0.00 179.25 180.11 3dxk n GLY 114 N -0.83 -0.74 1.01 0.00 0.00 -1.08 -1.21 105.19 102.34 3dxk n GLY 114 Ca 0.03 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.13 3dxk n GLY 114 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3dxk n MET 115 N -1.60 3.07 -0.29 1.61 2.00 -0.52 -0.88 117.12 120.52 3dxk n MET 115 Ca 0.01 -2.48 -0.04 0.00 0.00 0.00 0.00 57.70 55.19 3dxk n MET 115 Cb 0.07 -1.56 0.01 0.00 0.00 0.00 0.00 33.22 31.74 3dxk n MET 115 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 175.97 177.22 3dxk h LEU 116 N 2.81 -1.38 -0.24 4.03 6.46 -1.08 0.20 115.31 126.10 3dxk h LEU 116 Ca 0.00 0.27 0.03 0.00 -0.12 0.00 0.00 57.88 58.06 3dxk h LEU 116 Cb 1.06 0.69 -0.03 0.00 -0.73 0.00 0.00 40.66 41.65 3dxk h LEU 116 CO 0.09 -0.30 0.05 0.50 -0.62 0.00 0.00 178.44 178.16 3dxk h LYS 117 N -0.10 0.14 -0.74 1.25 3.64 -1.85 -1.97 116.57 116.96 3dxk h LYS 117 Ca 0.27 -0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.68 3dxk h LYS 117 Cb 0.57 -0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 32.30 3dxk h LYS 117 CO -0.82 0.09 0.45 -0.09 -2.27 0.00 0.00 179.45 176.81 3dxk h ARG 118 N 0.15 0.83 0.00 1.90 1.12 -1.33 -2.02 114.38 115.03 3dxk h ARG 118 Ca 0.11 -0.05 -0.04 0.00 -1.11 0.00 0.00 59.98 58.89 3dxk h ARG 118 Cb 0.11 -0.19 -0.01 0.00 -0.01 0.00 0.00 29.97 29.87 3dxk h ARG 118 CO -0.14 0.55 -0.19 -0.91 -3.11 0.00 0.00 179.97 176.17 3dxk h ASN 119 N 0.86 0.00 0.23 -3.80 2.35 -0.14 -1.65 115.58 113.42 3dxk h ASN 119 Ca 0.31 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.97 3dxk h ASN 119 Cb 0.08 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.44 3dxk h ASN 119 CO -0.14 0.19 -0.35 0.00 -1.65 0.00 0.00 177.43 175.49 3dxk h PHE 121 N 0.15 0.28 -0.71 0.00 -1.00 -1.38 -3.39 116.94 110.90 3dxk h PHE 121 Ca 0.02 -0.21 0.11 0.00 2.81 0.00 0.00 57.97 60.70 3dxk h PHE 121 Cb 0.69 -0.01 -0.12 0.00 3.61 0.00 0.00 35.95 40.13 3dxk h PHE 121 CO 0.01 1.21 -0.27 0.00 -1.61 0.00 0.00 178.31 177.65 3dxk n ALA 122 N -2.54 -0.07 0.10 2.45 0.00 -0.67 -2.36 120.51 117.42 3dxk n ALA 122 Ca -0.10 0.71 -0.13 0.00 0.00 0.00 0.00 53.44 53.92 3dxk n ALA 122 Cb 1.01 -0.33 -0.06 0.00 0.00 0.00 0.00 19.45 20.08 3dxk n ALA 122 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3dxk h SER 123 N 0.00 -0.87 -1.03 0.00 4.64 -1.76 0.00 113.55 114.52 3dxk h SER 123 Ca 0.25 0.11 0.30 0.00 -0.47 0.00 0.00 61.79 61.98 3dxk h SER 123 Cb 0.43 0.34 -0.04 0.00 -0.31 0.00 0.00 62.40 62.82 3dxk h SER 123 CO -0.70 -0.38 0.78 1.62 -0.87 0.00 0.00 176.83 177.28 3dxk h VAL 124 N -0.50 0.41 0.05 0.95 3.04 -1.50 0.41 116.25 119.11 3dxk h VAL 124 Ca 0.04 0.00 -0.21 0.00 -1.01 0.00 0.00 66.70 65.52 3dxk h VAL 124 Cb 0.54 0.44 -0.02 0.00 -2.01 0.00 0.00 31.29 30.25 3dxk h VAL 124 CO -0.20 0.00 -1.10 -0.26 -1.01 0.00 0.00 177.57 174.99 3dxk h PHE 125 N 0.00 0.19 -0.56 3.17 0.05 -1.47 -3.24 116.94 115.09 3dxk h PHE 125 Ca 0.49 -0.14 0.07 0.00 3.82 0.00 0.00 57.97 62.21 3dxk h PHE 125 Cb 2.05 -0.01 -0.03 0.00 2.00 0.00 0.00 35.95 39.96 3dxk h PHE 125 CO 0.00 1.43 0.37 0.93 -0.18 0.00 0.00 178.31 180.86 3dxk h GLU 126 N -0.70 0.45 0.14 1.51 5.08 0.56 -0.97 114.58 120.66 3dxk h GLU 126 Ca -0.27 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.06 3dxk h GLU 126 Cb 1.45 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.60 3dxk h GLU 126 CO -0.06 0.30 -0.07 -0.22 -1.00 0.00 0.00 179.01 177.97 3dxk h LYS 127 N 0.47 -0.18 0.00 2.33 3.64 -0.40 -2.11 116.57 120.32 3dxk h LYS 127 Ca 0.25 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.64 3dxk h LYS 127 Cb 0.37 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.23 3dxk h LYS 127 CO -0.07 0.18 0.00 1.88 -2.27 0.00 0.00 179.45 179.18 3dxk h TYR 128 N -0.58 0.00 0.14 1.91 -1.99 -1.49 -1.67 116.97 113.29 3dxk h TYR 128 Ca -0.02 0.00 -0.29 0.00 2.00 0.00 0.00 58.73 60.42 3dxk h TYR 128 Cb 0.45 0.00 0.02 0.00 2.00 0.00 0.00 36.73 39.20 3dxk h TYR 128 CO 0.05 0.00 -1.26 0.74 -0.00 0.00 0.00 178.16 177.68 3dxk h PHE 129 N 0.00 0.73 -0.51 4.88 0.04 -1.19 -2.93 116.94 117.97 3dxk h PHE 129 Ca 0.00 -0.50 -0.04 0.00 2.80 0.00 0.00 57.97 60.23 3dxk h PHE 129 Cb 0.52 -0.04 -0.02 0.00 2.20 0.00 0.00 35.95 38.60 3dxk h PHE 129 CO 0.00 1.37 0.14 0.37 -0.60 0.00 0.00 178.31 179.59 3dxk h GLN 130 N 0.15 0.76 0.74 1.51 5.75 -0.68 -1.50 115.11 121.84 3dxk h GLN 130 Ca -0.17 -0.14 -0.04 0.00 -0.15 0.00 0.00 58.65 58.16 3dxk h GLN 130 Cb 1.96 -0.12 0.01 0.00 1.07 0.00 0.00 27.48 30.39 3dxk h GLN 130 CO 0.22 0.67 -0.35 0.74 -2.65 0.00 0.00 178.83 177.46 3dxk h PHE 131 N 0.74 -0.92 -0.31 3.99 0.05 -1.32 -2.69 116.94 116.49 3dxk h PHE 131 Ca 0.17 -0.02 0.06 0.00 3.82 0.00 0.00 57.97 62.00 3dxk h PHE 131 Cb 0.25 0.30 -0.08 0.00 2.00 0.00 0.00 35.95 38.42 3dxk h PHE 131 CO 0.01 -0.55 -0.40 0.37 -0.18 0.00 0.00 178.31 177.56 3dxk h GLN 132 N -1.06 -0.35 0.00 1.51 -0.00 -1.31 0.65 115.11 114.54 3dxk h GLN 132 Ca -0.10 0.02 0.00 0.00 -0.00 0.00 0.00 58.65 58.57 3dxk h GLN 132 Cb 0.77 0.08 0.00 0.00 0.00 0.00 0.00 27.48 28.33 3dxk h GLN 132 CO 0.17 -0.23 0.05 -1.91 0.00 0.00 0.00 178.83 176.91 3dxk n GLU 133 N -5.42 0.01 0.00 1.69 2.13 -0.58 -1.38 120.64 117.09 3dxk n GLU 133 Ca -0.01 0.46 0.03 0.00 0.66 0.00 0.00 57.16 58.30 3dxk n GLU 133 Cb 0.35 -1.59 0.00 0.00 0.27 0.00 0.00 31.44 30.47 3dxk n GLU 133 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 3dxk n GLU 134 N -1.51 2.00 0.00 5.31 1.02 0.13 -5.00 120.64 122.59 3dxk n GLU 134 Ca -0.00 -0.55 0.00 0.00 -0.02 0.00 0.00 57.16 56.59 3dxk n GLU 134 Cb 0.06 -1.00 0.00 0.00 -0.02 0.00 0.00 31.44 30.48 3dxk n GLU 134 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3dxk n GLY 135 N 0.71 3.14 3.50 0.62 0.00 -0.48 -4.97 105.19 107.71 3dxk n GLY 135 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 3dxk n GLY 135 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3dxk n LYS 136 N -1.60 0.75 -2.61 1.61 5.02 -1.16 -4.91 118.16 115.27 3dxk n LYS 136 Ca 0.00 0.09 -0.14 0.00 -2.02 0.00 0.00 58.31 56.24 3dxk n LYS 136 Cb 0.00 -2.56 0.01 0.00 -0.02 0.00 0.00 35.03 32.46 3dxk n LYS 136 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3dxk n GLU 137 N 8.60 0.95 0.00 1.97 1.02 -1.26 -4.53 120.64 127.39 3dxk n GLU 137 Ca 0.47 -1.90 0.00 0.00 -0.02 0.00 0.00 57.16 55.71 3dxk n GLU 137 Cb 0.29 0.11 0.00 0.00 -0.02 0.00 0.00 31.44 31.82 3dxk n GLU 137 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3dxk n GLY 138 N 1.16 1.69 3.55 0.62 0.00 -1.26 -4.94 105.19 106.01 3dxk n GLY 138 Ca 0.02 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.54 3dxk n GLY 138 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3dxk n GLU 139 N -1.39 0.92 -1.52 1.61 -0.58 -1.26 -4.89 120.64 113.52 3dxk n GLU 139 Ca 0.00 0.33 -0.36 0.00 -0.42 0.00 0.00 57.16 56.71 3dxk n GLU 139 Cb 0.00 -1.76 0.09 0.00 -0.57 0.00 0.00 31.44 29.20 3dxk n GLU 139 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 3dxk n ASN 140 N 1.91 1.57 -4.84 1.62 5.03 -1.26 -4.77 115.26 114.52 3dxk n ASN 140 Ca 0.16 0.75 -0.33 0.00 0.87 0.00 0.00 54.58 56.02 3dxk n ASN 140 Cb 0.23 -1.52 -0.06 0.00 -1.02 0.00 0.00 39.78 37.41 3dxk n ASN 140 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3dxk s ARG 141 N -3.54 4.08 0.29 3.52 1.70 -1.26 -4.91 118.95 118.83 3dxk s ARG 141 Ca 0.79 0.75 -0.26 0.00 -0.47 0.00 0.00 55.73 56.53 3dxk s ARG 141 Cb -0.35 -2.53 -0.09 0.00 -0.57 0.00 0.00 34.95 31.40 3dxk s ARG 141 CO 0.44 0.21 0.92 0.00 -1.08 0.00 0.00 175.30 175.79 3dxk s ALA 142 N -1.87 3.27 -0.32 7.88 0.00 0.23 -4.91 121.76 126.03 3dxk s ALA 142 Ca 0.52 0.51 -0.00 0.00 0.00 0.00 0.00 51.96 52.98 3dxk s ALA 142 Cb -0.12 -3.15 0.10 0.00 0.00 0.00 0.00 23.12 19.96 3dxk s ALA 142 CO 0.18 0.20 0.11 0.08 0.00 0.00 0.00 175.76 176.33 3dxk s VAL 143 N -1.49 0.93 -0.31 0.00 1.01 -1.26 -1.90 120.40 117.39 3dxk s VAL 143 Ca 0.47 -1.52 -0.09 0.00 0.00 0.00 0.00 61.98 60.83 3dxk s VAL 143 Cb -0.20 -1.70 -0.00 0.00 0.00 0.00 0.00 36.38 34.47 3dxk s VAL 143 CO 0.26 -0.70 0.15 -0.63 0.00 0.00 0.00 175.10 174.17 3dxk s ILE 144 N 1.48 4.53 -1.23 2.22 -1.09 -0.65 -4.98 121.20 121.48 3dxk s ILE 144 Ca 0.11 -0.47 -0.14 0.00 -2.23 0.00 0.00 60.65 57.92 3dxk s ILE 144 Cb -0.18 -3.32 0.16 0.00 -1.58 0.00 0.00 42.46 37.54 3dxk s ILE 144 CO -0.22 0.06 1.48 -1.00 -1.23 0.00 0.00 174.94 174.03 3dxk s HIS 145 N 1.60 3.40 -0.92 3.97 3.76 -1.26 -0.86 115.29 124.98 3dxk s HIS 145 Ca 0.04 -2.08 0.11 0.00 -0.15 0.00 0.00 55.06 52.99 3dxk s HIS 145 Cb -0.17 -4.38 0.48 0.00 1.11 0.00 0.00 32.58 29.62 3dxk s HIS 145 CO 0.06 -1.45 1.34 2.48 -0.85 0.00 0.00 174.74 176.32 3dxk n TYR 146 N 6.03 0.11 -3.84 1.40 0.18 -1.18 -4.67 117.16 115.17 3dxk n TYR 146 Ca 0.39 0.05 -0.09 0.00 1.88 0.00 0.00 57.90 60.12 3dxk n TYR 146 Cb 0.43 -0.57 -0.08 0.00 -0.38 0.00 0.00 39.34 38.74 3dxk n TYR 146 CO 0.00 0.00 0.00 1.03 -2.08 0.00 0.00 176.86 175.81 3dxk s ARG 147 N -3.05 0.80 0.31 -3.48 0.52 -1.13 -4.75 118.95 108.16 3dxk s ARG 147 Ca 0.04 -0.83 0.07 0.00 -0.52 0.00 0.00 55.73 54.49 3dxk s ARG 147 Cb 0.06 0.33 0.84 0.00 0.52 0.00 0.00 34.95 36.70 3dxk s ARG 147 CO 0.19 -0.25 1.70 -0.44 0.02 0.00 0.00 175.30 176.52 3dxk h ASP 148 N 2.98 0.48 0.00 0.23 3.45 -1.96 -2.41 116.42 119.20 3dxk h ASP 148 Ca -0.33 0.15 -0.03 0.00 0.43 0.00 0.00 57.03 57.25 3dxk h ASP 148 Cb 1.20 0.10 -0.07 0.00 -0.56 0.00 0.00 39.33 40.00 3dxk h ASP 148 CO 0.53 0.02 -0.54 -0.90 -1.57 0.00 0.00 179.24 176.78 3dxk n ASP 149 N -4.99 1.60 -3.94 6.45 5.75 -1.26 -5.03 116.55 115.14 3dxk n ASP 149 Ca 0.25 -3.42 -0.14 0.00 -0.01 0.00 0.00 54.79 51.47 3dxk n ASP 149 Cb 0.74 -0.47 -0.14 0.00 -1.03 0.00 0.00 41.12 40.22 3dxk n ASP 149 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 3dxk s GLU 150 N -2.52 0.30 0.03 0.11 2.02 -0.91 -4.61 118.70 113.12 3dxk s GLU 150 Ca 0.35 -0.18 0.02 0.00 0.02 0.00 0.00 54.97 55.19 3dxk s GLU 150 Cb 0.35 -0.26 -0.02 0.00 0.10 0.00 0.00 34.13 34.30 3dxk s GLU 150 CO -0.07 0.07 -0.08 0.99 0.02 0.00 0.00 175.26 176.19 3dxk s THR 151 N -0.20 0.56 -0.08 3.63 2.01 -1.03 -2.83 115.64 117.70 3dxk s THR 151 Ca 0.00 -0.93 0.04 0.00 0.31 0.00 0.00 61.69 61.11 3dxk s THR 151 Cb -0.02 -0.60 -0.01 0.00 0.01 0.00 0.00 72.50 71.88 3dxk s THR 151 CO -0.00 -0.27 -0.21 -0.32 -0.69 0.00 0.00 174.62 173.13 3dxk s MET 152 N -1.30 2.82 -0.14 4.92 1.75 -0.04 0.73 119.30 128.03 3dxk s MET 152 Ca -0.07 -0.83 0.02 0.00 -1.25 0.00 0.00 55.69 53.55 3dxk s MET 152 Cb -0.08 -2.31 0.01 0.00 2.84 0.00 0.00 34.83 35.28 3dxk s MET 152 CO 0.00 0.33 -0.20 0.71 -0.65 0.00 0.00 175.02 175.22 3dxk s TYR 153 N -0.01 2.71 -0.14 4.11 1.51 0.20 -1.64 117.35 124.08 3dxk s TYR 153 Ca -0.07 -1.23 -0.01 0.00 -1.01 0.00 0.00 57.07 54.75 3dxk s TYR 153 Cb -0.15 -1.84 -0.01 0.00 -0.11 0.00 0.00 41.96 39.85 3dxk s TYR 153 CO 0.05 -0.56 -0.11 0.08 -1.11 0.00 0.00 175.55 173.89 3dxk s VAL 154 N 0.81 3.14 -0.09 0.71 1.01 -0.80 -0.48 120.40 124.70 3dxk s VAL 154 Ca -0.07 -0.62 -0.07 0.00 0.00 0.00 0.00 61.98 61.23 3dxk s VAL 154 Cb -0.15 -2.33 0.03 0.00 0.00 0.00 0.00 36.38 33.92 3dxk s VAL 154 CO -0.01 0.51 0.22 -0.70 0.00 0.00 0.00 175.10 175.12 3dxk s GLU 155 N 0.49 0.23 0.02 2.72 2.12 -0.58 -0.60 118.70 123.10 3dxk s GLU 155 Ca -0.08 0.37 -0.01 0.00 0.36 0.00 0.00 54.97 55.60 3dxk s GLU 155 Cb -0.16 0.03 -0.04 0.00 0.26 0.00 0.00 34.13 34.23 3dxk s GLU 155 CO 0.04 -0.08 0.17 0.45 -0.54 0.00 0.00 175.26 175.30 3dxk s SER 156 N 0.50 6.20 0.35 -1.70 0.15 -1.26 -0.61 113.70 117.33 3dxk s SER 156 Ca -0.03 0.27 0.06 0.00 0.70 0.00 0.00 55.95 56.94 3dxk s SER 156 Cb -0.05 -1.90 -0.03 0.00 -1.71 0.00 0.00 66.02 62.34 3dxk s SER 156 CO -0.03 0.23 0.22 -0.54 1.20 0.00 0.00 173.24 174.32 3dxk s LYS 157 N -2.13 1.78 0.14 5.44 1.02 -0.22 -4.69 119.74 121.08 3dxk s LYS 157 Ca 0.29 -2.05 -0.24 0.00 0.02 0.00 0.00 55.97 53.99 3dxk s LYS 157 Cb -0.13 -0.00 0.00 0.00 -0.52 0.00 0.00 37.83 37.18 3dxk s LYS 157 CO 0.21 -0.57 1.62 -0.22 -0.92 0.00 0.00 175.35 175.47 3dxk h LYS 158 N 2.05 -0.31 -0.37 1.68 1.63 -1.94 -3.23 116.57 116.08 3dxk h LYS 158 Ca -0.29 0.02 -0.26 0.00 -0.85 0.00 0.00 60.65 59.27 3dxk h LYS 158 Cb 1.25 0.07 -0.19 0.00 -0.60 0.00 0.00 32.23 32.76 3dxk h LYS 158 CO 0.44 -0.20 -0.51 -0.25 -3.45 0.00 0.00 179.45 175.48 3dxk n ASP 159 N -5.39 3.23 0.00 4.20 8.00 -1.26 -4.93 116.55 120.39 3dxk n ASP 159 Ca -0.02 -3.83 0.00 0.00 0.71 0.00 0.00 54.79 51.65 3dxk n ASP 159 Cb 0.31 -0.49 0.00 0.00 -0.02 0.00 0.00 41.12 40.92 3dxk n ASP 159 CO 0.00 0.00 0.00 -2.11 -0.39 0.00 0.00 177.20 174.70 3dxk n ARG 160 N -0.96 0.00 -4.64 -1.24 1.85 -1.22 -4.69 116.66 105.76 3dxk n ARG 160 Ca 0.32 0.00 -0.33 0.00 -1.00 0.00 0.00 57.85 56.84 3dxk n ARG 160 Cb 0.84 0.00 -0.13 0.00 -1.05 0.00 0.00 32.46 32.13 3dxk n ARG 160 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 3dxk s VAL 161 N -2.00 3.49 0.01 8.89 1.01 -0.77 -1.06 120.40 129.97 3dxk s VAL 161 Ca 0.00 -0.53 0.05 0.00 0.00 0.00 0.00 61.98 61.50 3dxk s VAL 161 Cb 0.00 -2.46 -0.03 0.00 0.00 0.00 0.00 36.38 33.89 3dxk s VAL 161 CO 0.00 0.55 -0.15 0.42 0.00 0.00 0.00 175.10 175.92 3dxk s THR 162 N -0.13 3.04 -0.15 3.92 -4.23 0.22 -0.40 115.64 117.91 3dxk s THR 162 Ca 0.01 -0.98 0.00 0.00 -1.18 0.00 0.00 61.69 59.54 3dxk s THR 162 Cb -0.13 -2.27 0.03 0.00 1.34 0.00 0.00 72.50 71.47 3dxk s THR 162 CO 0.03 0.41 -0.10 -0.69 -0.54 0.00 0.00 174.62 173.74 3dxk s VAL 163 N -0.89 1.36 0.06 2.29 1.01 -0.92 -1.53 120.40 121.79 3dxk s VAL 163 Ca 0.14 -0.63 0.04 0.00 0.00 0.00 0.00 61.98 61.53 3dxk s VAL 163 Cb -0.11 -1.39 -0.04 0.00 0.00 0.00 0.00 36.38 34.85 3dxk s VAL 163 CO 0.05 0.30 -0.03 -0.69 0.00 0.00 0.00 175.10 174.73 3dxk s VAL 164 N 1.55 3.83 -0.06 2.92 1.01 0.36 -0.38 120.40 129.64 3dxk s VAL 164 Ca 0.03 -0.93 0.03 0.00 0.00 0.00 0.00 61.98 61.10 3dxk s VAL 164 Cb -0.14 -2.77 0.01 0.00 0.00 0.00 0.00 36.38 33.48 3dxk s VAL 164 CO -0.09 0.22 -0.13 -0.36 0.00 0.00 0.00 175.10 174.74 3dxk s PHE 165 N -1.19 1.49 -0.47 5.22 0.40 0.11 -0.63 117.98 122.91 3dxk s PHE 165 Ca 0.22 -0.52 -0.12 0.00 -0.60 0.00 0.00 56.93 55.91 3dxk s PHE 165 Cb -0.11 -1.07 0.09 0.00 0.51 0.00 0.00 43.02 42.44 3dxk s PHE 165 CO 0.14 -0.25 0.36 0.45 0.70 0.00 0.00 175.22 176.62 3dxk s SER 166 N 0.51 5.91 -0.01 1.36 0.15 0.22 -1.84 113.70 120.00 3dxk s SER 166 Ca -0.12 -1.58 0.06 0.00 0.70 0.00 0.00 55.95 55.02 3dxk s SER 166 Cb -0.15 -2.09 -0.03 0.00 -1.71 0.00 0.00 66.02 62.05 3dxk s SER 166 CO 0.03 -0.66 -0.20 0.28 1.20 0.00 0.00 173.24 173.90 3dxk s THR 167 N 1.51 2.61 -0.13 6.45 -1.32 -0.45 -2.47 115.64 121.85 3dxk s THR 167 Ca 0.04 -1.02 -0.07 0.00 -1.21 0.00 0.00 61.69 59.43 3dxk s THR 167 Cb -0.25 -2.01 -0.04 0.00 -1.51 0.00 0.00 72.50 68.68 3dxk s THR 167 CO 0.03 0.50 0.13 -0.69 -2.21 0.00 0.00 174.62 172.39 3dxk s VAL 168 N -0.75 5.46 -0.58 5.08 1.01 -1.26 -1.00 120.40 128.35 3dxk s VAL 168 Ca 0.12 0.19 -0.03 0.00 0.00 0.00 0.00 61.98 62.26 3dxk s VAL 168 Cb -0.10 -3.39 0.15 0.00 0.00 0.00 0.00 36.38 33.03 3dxk s VAL 168 CO 0.01 0.59 0.40 -0.36 0.00 0.00 0.00 175.10 175.75 3dxk s PHE 169 N -0.82 3.46 0.21 5.22 0.40 -0.47 -4.96 117.98 121.01 3dxk s PHE 169 Ca 0.14 -2.60 -0.12 0.00 -0.60 0.00 0.00 56.93 53.75 3dxk s PHE 169 Cb -0.12 -3.24 0.27 0.00 0.51 0.00 0.00 43.02 40.44 3dxk s PHE 169 CO 0.03 -0.88 1.67 0.87 0.70 0.00 0.00 175.22 177.61 3dxk h LYS 170 N 7.31 0.12 -6.13 0.44 1.79 -1.97 -3.38 116.57 114.74 3dxk h LYS 170 Ca -0.04 -0.01 -0.57 0.00 -2.18 0.00 0.00 60.65 57.85 3dxk h LYS 170 Cb 0.98 -0.03 -0.05 0.00 -1.58 0.00 0.00 32.23 31.55 3dxk h LYS 170 CO 0.72 0.08 0.74 0.34 -1.08 0.00 0.00 179.45 180.25 3dxk s ASP 171 N -5.24 7.13 0.30 0.86 2.15 -1.26 -4.94 116.67 115.66 3dxk s ASP 171 Ca -0.13 1.44 0.05 0.00 0.43 0.00 0.00 52.55 54.33 3dxk s ASP 171 Cb 0.18 -2.54 0.69 0.00 -0.30 0.00 0.00 42.92 40.95 3dxk s ASP 171 CO 0.73 -0.62 1.78 0.44 -0.17 0.00 0.00 175.17 177.34 3dxk h ASP 172 N 7.39 0.78 1.48 -0.34 5.19 -2.01 0.82 116.42 129.73 3dxk h ASP 172 Ca -0.23 0.09 0.00 0.00 -0.62 0.00 0.00 57.03 56.27 3dxk h ASP 172 Cb 1.09 -0.05 0.00 0.00 0.18 0.00 0.00 39.33 40.55 3dxk h ASP 172 CO 0.95 0.30 0.00 0.44 -3.12 0.00 0.00 179.24 177.80 3dxk h ASP 173 N 0.78 0.00 0.57 6.45 3.32 -1.93 -2.96 116.42 122.64 3dxk h ASP 173 Ca 0.56 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.56 3dxk h ASP 173 Cb 0.82 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.37 3dxk h ASP 173 CO -0.37 0.00 -0.22 0.44 -1.72 0.00 0.00 179.24 177.37 3dxk h ASP 174 N 0.00 0.00 -0.44 6.45 5.19 -1.19 -2.68 116.42 123.76 3dxk h ASP 174 Ca 0.00 0.00 -0.05 0.00 -0.62 0.00 0.00 57.03 56.36 3dxk h ASP 174 Cb 0.74 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.23 3dxk h ASP 174 CO 0.00 0.22 0.07 0.58 -3.12 0.00 0.00 179.24 176.99 3dxk h VAL 175 N 0.00 1.25 -0.64 -1.35 2.07 -1.49 -0.08 116.25 116.00 3dxk h VAL 175 Ca -0.00 -0.90 -0.01 0.00 0.82 0.00 0.00 66.70 66.61 3dxk h VAL 175 Cb 0.57 0.98 -0.03 0.00 -1.52 0.00 0.00 31.29 31.29 3dxk h VAL 175 CO 0.03 0.31 0.36 0.58 0.02 0.00 0.00 177.57 178.87 3dxk h VAL 176 N 0.59 1.20 -0.32 2.57 2.07 -1.63 -1.31 116.25 119.43 3dxk h VAL 176 Ca 0.13 -0.51 -0.14 0.00 0.82 0.00 0.00 66.70 67.01 3dxk h VAL 176 Cb 0.38 0.36 -0.01 0.00 -1.52 0.00 0.00 31.29 30.51 3dxk h VAL 176 CO 0.01 0.22 -0.35 0.40 0.02 0.00 0.00 177.57 177.87 3dxk h ILE 177 N 0.88 1.28 -0.65 4.57 2.04 -1.44 -3.05 117.51 121.15 3dxk h ILE 177 Ca 0.23 -1.51 0.06 0.00 1.00 0.00 0.00 64.86 64.64 3dxk h ILE 177 Cb 0.04 1.42 -0.05 0.00 -0.74 0.00 0.00 36.82 37.48 3dxk h ILE 177 CO -0.04 0.49 0.36 1.23 0.00 0.00 0.00 178.15 180.19 3dxk h GLY 178 N 0.96 0.95 0.93 5.37 0.00 -0.39 -2.42 103.07 108.47 3dxk h GLY 178 Ca 0.06 -0.25 0.01 0.00 0.00 0.00 0.00 47.33 47.15 3dxk h GLY 178 CO 0.08 0.15 0.03 0.50 0.00 0.00 0.00 176.54 177.29 3dxk h LYS 179 N 0.66 0.07 -0.93 4.80 1.57 -1.16 0.48 116.57 122.07 3dxk h LYS 179 Ca 0.29 -0.00 0.24 0.00 -1.87 0.00 0.00 60.65 59.31 3dxk h LYS 179 Cb 0.18 -0.01 -0.13 0.00 0.08 0.00 0.00 32.23 32.35 3dxk h LYS 179 CO -0.18 0.04 0.44 0.28 -0.57 0.00 0.00 179.45 179.46 3dxk h VAL 180 N 0.07 0.45 -0.05 0.50 2.07 -1.36 0.19 116.25 118.12 3dxk h VAL 180 Ca 0.04 -0.14 -0.25 0.00 0.82 0.00 0.00 66.70 67.16 3dxk h VAL 180 Cb 0.02 0.01 0.02 0.00 -1.52 0.00 0.00 31.29 29.82 3dxk h VAL 180 CO -0.04 0.08 -0.96 -0.26 0.02 0.00 0.00 177.57 176.40 3dxk h PHE 181 N 0.41 1.06 -0.67 1.57 -1.00 -1.08 -3.22 116.94 114.01 3dxk h PHE 181 Ca 0.59 -0.54 -0.00 0.00 2.81 0.00 0.00 57.97 60.83 3dxk h PHE 181 Cb 1.16 -0.13 -0.03 0.00 3.61 0.00 0.00 35.95 40.56 3dxk h PHE 181 CO -0.11 1.38 0.40 0.52 -1.61 0.00 0.00 178.31 178.89 3dxk h MET 182 N 0.44 0.91 -0.95 1.51 2.86 0.14 -2.34 114.93 117.51 3dxk h MET 182 Ca -0.11 -0.08 0.10 0.00 -2.06 0.00 0.00 59.70 57.55 3dxk h MET 182 Cb 1.61 -0.19 -0.07 0.00 0.06 0.00 0.00 31.60 33.00 3dxk h MET 182 CO 0.19 0.65 0.61 0.37 1.06 0.00 0.00 176.91 179.79 3dxk h GLN 183 N 0.91 0.93 0.00 1.72 5.75 -0.82 0.47 115.11 124.07 3dxk h GLN 183 Ca 0.24 -0.06 0.00 0.00 -0.15 0.00 0.00 58.65 58.68 3dxk h GLN 183 Cb -0.03 -0.21 0.00 0.00 1.07 0.00 0.00 27.48 28.31 3dxk h GLN 183 CO -0.05 0.62 0.00 0.39 -2.65 0.00 0.00 178.83 177.14 3dxk n GLU 184 N -4.55 0.16 0.03 1.69 -0.58 -0.90 -2.44 120.64 114.04 3dxk n GLU 184 Ca 0.17 0.28 -0.20 0.00 -0.42 0.00 0.00 57.16 56.99 3dxk n GLU 184 Cb 0.31 -1.75 -0.14 0.00 -0.57 0.00 0.00 31.44 29.29 3dxk n GLU 184 CO 0.00 0.00 0.00 0.74 -0.48 0.00 0.00 177.13 177.39 3dxk h PHE 185 N 0.00 0.51 -0.14 -0.32 -1.00 -0.70 -3.08 116.94 112.21 3dxk h PHE 185 Ca 0.00 -0.37 0.04 0.00 2.81 0.00 0.00 57.97 60.45 3dxk h PHE 185 Cb 0.47 -0.02 -0.01 0.00 3.61 0.00 0.00 35.95 40.01 3dxk h PHE 185 CO 0.00 1.64 0.12 -0.22 -1.61 0.00 0.00 178.31 178.25 3dxk h LYS 186 N 0.08 0.00 -0.34 1.51 1.63 -0.88 -1.07 116.57 117.50 3dxk h LYS 186 Ca -0.37 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.43 3dxk h LYS 186 Cb 2.05 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 33.68 3dxk h LYS 186 CO 0.12 0.00 0.00 0.39 -3.45 0.00 0.00 179.45 176.51 3dxk n GLU 187 N -4.09 3.05 0.26 1.90 1.02 -1.02 -4.67 120.64 117.09 3dxk n GLU 187 Ca 0.00 -2.57 0.10 0.00 -0.02 0.00 0.00 57.16 54.68 3dxk n GLU 187 Cb 0.24 -1.65 0.68 0.00 -0.02 0.00 0.00 31.44 30.69 3dxk n GLU 187 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 3dxk h GLY 188 N 2.17 0.00 1.88 0.62 0.00 -1.09 -2.38 103.07 104.27 3dxk h GLY 188 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 47.33 47.34 3dxk h GLY 188 CO 0.15 0.00 0.05 3.21 0.00 0.00 0.00 176.54 179.95 3dxk h ARG 189 N 0.00 0.00 0.00 4.80 3.08 -1.81 0.98 114.38 121.44 3dxk h ARG 189 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3dxk h ARG 189 Cb 0.19 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.24 3dxk h ARG 189 CO 0.01 0.00 0.00 0.54 -1.07 0.00 0.00 179.97 179.45 3dxk n ARG 190 N -3.64 0.58 0.00 0.04 5.12 -0.90 -2.61 116.66 115.25 3dxk n ARG 190 Ca -0.02 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.90 3dxk n ARG 190 Cb 0.14 -1.15 0.00 0.00 -1.16 0.00 0.00 32.46 30.28 3dxk n ARG 190 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3dxk n ALA 191 N -0.65 0.66 -3.27 7.54 0.00 0.28 -4.98 120.51 120.09 3dxk n ALA 191 Ca 0.04 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.36 3dxk n ALA 191 Cb 0.02 0.02 -0.05 0.00 0.00 0.00 0.00 19.45 19.43 3dxk n ALA 191 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3dxk s SER 192 N -0.72 0.28 0.63 0.00 0.01 -0.85 -5.02 113.70 108.03 3dxk s SER 192 Ca 0.00 -1.54 0.39 0.00 1.31 0.00 0.00 55.95 56.11 3dxk s SER 192 Cb 0.00 0.95 2.09 0.00 0.21 0.00 0.00 66.02 69.27 3dxk s SER 192 CO 0.00 -0.21 2.27 1.12 0.41 0.00 0.00 173.24 176.83 3dxk h HIS 193 N 6.71 0.00 0.15 2.43 2.07 -1.79 -2.58 115.15 122.15 3dxk h HIS 193 Ca 0.07 0.00 -0.32 0.00 -2.85 0.00 0.00 60.37 57.27 3dxk h HIS 193 Cb 1.08 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.06 3dxk h HIS 193 CO 0.26 0.01 -1.59 1.79 -3.07 0.00 0.00 177.93 175.33 3dxk h THR 194 N 0.00 1.10 -3.52 6.12 1.35 -1.95 -3.48 112.91 112.53 3dxk h THR 194 Ca -0.00 -2.70 -0.51 0.00 -0.55 0.00 0.00 66.41 62.65 3dxk h THR 194 Cb 0.11 2.79 0.21 0.00 -1.73 0.00 0.00 68.15 69.54 3dxk h THR 194 CO 0.00 0.83 -0.31 0.00 -0.25 0.00 0.00 175.52 175.79 3dxk n ALA 195 N -2.73 -2.27 -1.59 6.62 0.00 -0.97 -4.92 120.51 114.64 3dxk n ALA 195 Ca -0.19 -0.76 -0.44 0.00 0.00 0.00 0.00 53.44 52.06 3dxk n ALA 195 Cb 1.06 -1.92 -0.01 0.00 0.00 0.00 0.00 19.45 18.58 3dxk n ALA 195 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3dxk n PRO 196 N -2.99 1.37 -2.89 0.00 -0.02 -1.26 -4.93 135.00 124.27 3dxk n PRO 196 Ca 0.07 0.48 -0.36 0.00 -2.02 0.00 0.00 63.50 61.68 3dxk n PRO 196 Cb 0.54 -1.89 -0.06 0.00 -0.02 0.00 0.00 33.50 32.07 3dxk n PRO 196 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 3dxk s GLN 197 N -1.65 4.40 -0.10 -0.52 0.74 -1.20 -4.83 119.66 116.50 3dxk s GLN 197 Ca 0.59 1.14 0.01 0.00 0.05 0.00 0.00 55.36 57.15 3dxk s GLN 197 Cb -0.66 -2.68 0.02 0.00 1.10 0.00 0.00 33.01 30.79 3dxk s GLN 197 CO 0.60 0.24 -0.10 0.08 -0.55 0.00 0.00 175.29 175.56 3dxk s VAL 198 N -1.72 1.09 0.37 1.34 1.01 -1.26 -1.69 120.40 119.53 3dxk s VAL 198 Ca 0.51 -0.37 0.08 0.00 0.00 0.00 0.00 61.98 62.19 3dxk s VAL 198 Cb -0.16 -1.06 -0.03 0.00 0.00 0.00 0.00 36.38 35.13 3dxk s VAL 198 CO 0.21 0.37 0.32 -0.76 0.00 0.00 0.00 175.10 175.23 3dxk s LEU 199 N 1.32 3.49 -0.19 3.92 1.02 0.39 -4.01 118.68 124.63 3dxk s LEU 199 Ca -0.02 -0.62 -0.10 0.00 0.02 0.00 0.00 54.13 53.42 3dxk s LEU 199 Cb -0.14 -2.12 0.07 0.00 0.02 0.00 0.00 46.19 44.02 3dxk s LEU 199 CO -0.04 -0.48 0.44 0.12 0.02 0.00 0.00 176.35 176.41 3dxk s PHE 200 N -2.38 -0.68 -0.07 0.29 5.36 -1.26 -1.89 117.98 117.34 3dxk s PHE 200 Ca 0.44 1.41 0.04 0.00 -0.96 0.00 0.00 56.93 57.86 3dxk s PHE 200 Cb -0.04 0.31 0.00 0.00 -0.34 0.00 0.00 43.02 42.95 3dxk s PHE 200 CO 0.27 -0.38 -0.19 0.45 -1.46 0.00 0.00 175.22 173.90 3dxk s SER 201 N 1.59 2.53 -0.18 6.13 0.15 0.33 -4.99 113.70 119.27 3dxk s SER 201 Ca -0.09 -0.44 -0.08 0.00 0.70 0.00 0.00 55.95 56.04 3dxk s SER 201 Cb -0.09 -1.01 -0.04 0.00 -1.71 0.00 0.00 66.02 63.17 3dxk s SER 201 CO -0.14 0.13 0.09 -2.28 1.20 0.00 0.00 173.24 172.25 3dxk s HIS 202 N 0.30 3.32 0.00 3.44 2.46 -1.26 0.14 115.29 123.69 3dxk s HIS 202 Ca -0.13 0.19 0.00 0.00 0.47 0.00 0.00 55.06 55.59 3dxk s HIS 202 Cb -0.15 -2.08 0.00 0.00 -0.13 0.00 0.00 32.58 30.21 3dxk s HIS 202 CO 0.05 0.25 0.00 -2.13 -2.47 0.00 0.00 174.74 170.44 3dxk n ARG 203 N 3.38 0.00 -4.21 2.88 0.63 -0.88 -4.95 116.66 113.50 3dxk n ARG 203 Ca -0.17 0.00 -0.18 0.00 -0.92 0.00 0.00 57.85 56.59 3dxk n ARG 203 Cb 0.52 0.00 -0.12 0.00 0.45 0.00 0.00 32.46 33.31 3dxk n ARG 203 CO 0.00 0.00 0.00 -1.21 -2.51 0.00 0.00 177.63 173.91 3dxk s GLU 204 N 0.00 0.78 0.90 -0.14 2.02 -1.26 -1.54 118.70 119.45 3dxk s GLU 204 Ca 0.00 -0.81 -0.12 0.00 0.02 0.00 0.00 54.97 54.06 3dxk s GLU 204 Cb 0.00 -0.74 0.13 0.00 0.10 0.00 0.00 34.13 33.62 3dxk s GLU 204 CO 0.00 0.17 1.10 -1.25 0.02 0.00 0.00 175.26 175.31 3dxk s PRO 205 N -1.43 1.27 0.23 0.39 0.04 -1.26 -4.68 135.00 129.57 3dxk s PRO 205 Ca -0.02 0.57 -0.30 0.00 0.04 0.00 0.00 61.00 61.29 3dxk s PRO 205 Cb -0.09 -1.83 -0.09 0.00 0.04 0.00 0.00 34.50 32.53 3dxk s PRO 205 CO 0.01 -2.17 1.28 -2.14 0.04 0.00 0.00 177.00 174.03 3dxk s PRO 206 N -5.09 4.41 0.16 0.56 0.02 -1.26 -4.78 135.00 129.03 3dxk s PRO 206 Ca 0.63 2.05 0.07 0.00 0.02 0.00 0.00 61.00 63.77 3dxk s PRO 206 Cb -0.16 -3.17 0.53 0.00 0.02 0.00 0.00 34.50 31.72 3dxk s PRO 206 CO 0.55 -0.18 0.74 1.28 -0.33 0.00 0.00 177.00 179.06 3dxk n LEU 207 N 2.12 0.08 0.23 -5.54 4.77 -1.26 0.07 117.00 117.48 3dxk n LEU 207 Ca 0.04 0.79 0.18 0.00 -0.03 0.00 0.00 56.01 56.98 3dxk n LEU 207 Cb 0.43 -0.35 0.80 0.00 -2.33 0.00 0.00 43.42 41.97 3dxk n LEU 207 CO 0.58 -0.85 1.15 -0.33 -1.33 0.00 0.00 177.39 176.61 3dxk h GLU 208 N 0.00 0.00 -0.19 3.23 3.07 -2.04 -0.64 114.58 118.00 3dxk h GLU 208 Ca 0.36 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.22 3dxk h GLU 208 Cb 0.88 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.79 3dxk h GLU 208 CO -0.39 0.00 0.00 1.28 -1.40 0.00 0.00 179.01 178.50 3dxk n LEU 209 N -3.30 2.44 0.08 1.33 4.77 0.11 -4.52 117.00 117.91 3dxk n LEU 209 Ca 0.02 -1.62 0.11 0.00 -0.03 0.00 0.00 56.01 54.48 3dxk n LEU 209 Cb 0.46 -0.13 0.43 0.00 -2.33 0.00 0.00 43.42 41.85 3dxk n LEU 209 CO 0.20 0.57 0.82 1.17 -1.33 0.00 0.00 177.39 178.83 3dxk n LYS 210 N 0.45 0.12 0.04 3.23 4.81 -0.25 -1.72 118.16 124.84 3dxk n LYS 210 Ca 0.08 0.32 0.08 0.00 -0.87 0.00 0.00 58.31 57.93 3dxk n LYS 210 Cb 0.34 -1.72 -0.09 0.00 0.02 0.00 0.00 35.03 33.59 3dxk n LYS 210 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 3dxk n ASP 211 N -1.95 0.48 -4.94 3.14 -0.08 -1.26 -4.92 116.55 107.02 3dxk n ASP 211 Ca 0.03 0.19 -0.25 0.00 -1.51 0.00 0.00 54.79 53.25 3dxk n ASP 211 Cb 0.24 1.03 0.03 0.00 2.34 0.00 0.00 41.12 44.76 3dxk n ASP 211 CO 0.00 0.00 0.00 0.42 0.12 0.00 0.00 177.20 177.74 3dxk s THR 212 N -3.31 3.52 -0.75 5.18 -4.23 -0.70 -4.95 115.64 110.40 3dxk s THR 212 Ca -0.04 -0.25 0.00 0.00 -1.18 0.00 0.00 61.69 60.22 3dxk s THR 212 Cb 0.11 -3.37 0.00 0.00 1.34 0.00 0.00 72.50 70.58 3dxk s THR 212 CO 0.84 -0.33 0.33 -0.90 -0.54 0.00 0.00 174.62 174.02 3dxk n ASP 213 N -2.43 0.79 -4.43 3.99 5.75 -1.26 -4.89 116.55 114.07 3dxk n ASP 213 Ca 0.04 -1.05 -0.36 0.00 -0.01 0.00 0.00 54.79 53.41 3dxk n ASP 213 Cb 0.58 -0.26 0.08 0.00 -1.03 0.00 0.00 41.12 40.48 3dxk n ASP 213 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3dxk n ALA 214 N 0.36 -1.94 -2.01 2.12 0.00 -1.26 -4.93 120.51 112.85 3dxk n ALA 214 Ca 0.00 -0.32 -0.32 0.00 0.00 0.00 0.00 53.44 52.80 3dxk n ALA 214 Cb 0.16 -1.80 -0.04 0.00 0.00 0.00 0.00 19.45 17.78 3dxk n ALA 214 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3dxk s ALA 215 N -2.01 3.21 -0.01 0.00 0.00 -1.26 -5.01 121.76 116.69 3dxk s ALA 215 Ca 0.62 0.03 -0.01 0.00 0.00 0.00 0.00 51.96 52.61 3dxk s ALA 215 Cb -0.32 -2.91 -0.00 0.00 0.00 0.00 0.00 23.12 19.89 3dxk s ALA 215 CO 0.61 -0.04 0.02 0.08 0.00 0.00 0.00 175.76 176.43 3dxk s VAL 216 N -2.40 0.01 0.00 0.00 1.01 -1.26 -4.29 120.40 113.47 3dxk s VAL 216 Ca 0.56 -0.12 0.00 0.00 0.00 0.00 0.00 61.98 62.42 3dxk s VAL 216 Cb -0.10 -0.08 0.00 0.00 0.00 0.00 0.00 36.38 36.20 3dxk s VAL 216 CO 0.28 -0.07 0.00 0.61 0.00 0.00 0.00 175.10 175.92 3dxk n GLY 217 N 2.87 2.54 0.36 4.51 0.00 -0.59 -4.95 105.19 109.92 3dxk n GLY 217 Ca -0.14 -0.94 0.18 0.00 0.00 0.00 0.00 46.02 45.12 3dxk n GLY 217 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3dxk h ASP 218 N 0.00 0.00 -0.18 1.61 3.32 -1.99 -2.34 116.42 116.85 3dxk h ASP 218 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3dxk h ASP 218 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3dxk h ASP 218 CO 0.00 0.00 0.00 0.59 -1.72 0.00 0.00 179.24 178.11 3dxk n ASN 219 N -4.36 3.12 -4.88 6.45 4.13 -1.26 -4.78 115.26 113.67 3dxk n ASN 219 Ca 0.07 -1.96 -0.30 0.00 1.68 0.00 0.00 54.58 54.06 3dxk n ASN 219 Cb 0.50 -0.10 -0.04 0.00 -1.54 0.00 0.00 39.78 38.60 3dxk n ASN 219 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 3dxk s ILE 220 N -1.71 4.91 -0.17 2.41 1.09 -0.88 -1.37 121.20 125.48 3dxk s ILE 220 Ca 0.31 0.40 -0.08 0.00 -1.10 0.00 0.00 60.65 60.18 3dxk s ILE 220 Cb 0.20 -3.68 0.07 0.00 -1.06 0.00 0.00 42.46 37.99 3dxk s ILE 220 CO 0.29 -0.28 0.40 -0.83 -0.10 0.00 0.00 174.94 174.42 3dxk s GLY 221 N -2.82 -0.31 -0.13 6.18 0.00 -0.17 -2.08 107.32 107.98 3dxk s GLY 221 Ca 0.48 1.46 -0.06 0.00 0.00 0.00 0.00 44.72 46.59 3dxk s GLY 221 CO 0.26 1.91 0.10 -0.19 0.00 0.00 0.00 173.10 175.18 3dxk s TYR 222 N 1.84 3.44 -0.05 1.90 1.51 0.12 -1.34 117.35 124.77 3dxk s TYR 222 Ca -0.06 0.38 0.02 0.00 -1.01 0.00 0.00 57.07 56.40 3dxk s TYR 222 Cb -0.10 -1.95 0.01 0.00 -0.11 0.00 0.00 41.96 39.81 3dxk s TYR 222 CO -0.12 0.56 -0.12 0.42 -1.11 0.00 0.00 175.55 175.18 3dxk s ILE 223 N -0.66 1.06 -0.12 2.71 1.09 -0.77 -0.51 121.20 123.99 3dxk s ILE 223 Ca 0.12 -0.46 0.03 0.00 -1.10 0.00 0.00 60.65 59.24 3dxk s ILE 223 Cb -0.12 -0.96 0.01 0.00 -1.06 0.00 0.00 42.46 40.33 3dxk s ILE 223 CO 0.02 0.33 -0.21 -0.89 -0.10 0.00 0.00 174.94 174.10 3dxk s THR 224 N 0.50 1.93 0.11 2.92 2.01 -0.79 0.06 115.64 122.37 3dxk s THR 224 Ca -0.11 -0.91 0.03 0.00 0.31 0.00 0.00 61.69 61.01 3dxk s THR 224 Cb -0.14 -1.71 -0.04 0.00 0.01 0.00 0.00 72.50 70.63 3dxk s THR 224 CO 0.03 0.53 0.16 -0.36 -0.69 0.00 0.00 174.62 174.29 3dxk s PHE 225 N 0.76 3.32 -0.31 4.92 0.40 0.48 -0.46 117.98 127.10 3dxk s PHE 225 Ca -0.09 0.11 -0.00 0.00 -0.60 0.00 0.00 56.93 56.35 3dxk s PHE 225 Cb -0.16 -1.64 0.10 0.00 0.51 0.00 0.00 43.02 41.83 3dxk s PHE 225 CO 0.00 0.54 0.09 0.08 0.70 0.00 0.00 175.22 176.63 3dxk s VAL 226 N -1.56 1.08 0.15 -0.44 1.01 -0.68 -2.15 120.40 117.79 3dxk s VAL 226 Ca 0.32 -1.51 -0.21 0.00 0.00 0.00 0.00 61.98 60.58 3dxk s VAL 226 Cb -0.12 -1.80 -0.08 0.00 0.00 0.00 0.00 36.38 34.39 3dxk s VAL 226 CO 0.25 -0.65 0.68 -0.76 0.00 0.00 0.00 175.10 174.63 3dxk s LEU 227 N 1.52 4.50 0.28 3.92 1.43 0.47 -3.24 118.68 127.55 3dxk s LEU 227 Ca 0.09 1.43 0.09 0.00 -1.03 0.00 0.00 54.13 54.72 3dxk s LEU 227 Cb -0.17 -3.23 -0.04 0.00 0.03 0.00 0.00 46.19 42.77 3dxk s LEU 227 CO -0.22 0.18 0.08 -0.36 0.23 0.00 0.00 176.35 176.26 3dxk s PHE 228 N -1.24 2.80 0.45 0.29 0.40 -1.26 -1.85 117.98 117.57 3dxk s PHE 228 Ca 0.35 -0.23 0.32 0.00 -0.60 0.00 0.00 56.93 56.77 3dxk s PHE 228 Cb -0.20 -1.35 1.44 0.00 0.51 0.00 0.00 43.02 43.42 3dxk s PHE 228 CO 0.22 0.53 1.64 -1.35 0.70 0.00 0.00 175.22 176.96 3dxk h PRO 229 N 1.70 0.09 0.00 0.24 0.11 -1.97 0.80 132.00 132.98 3dxk h PRO 229 Ca -0.45 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3dxk h PRO 229 Cb 1.25 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.34 3dxk h PRO 229 CO 0.61 0.06 0.00 2.89 -0.21 0.00 0.00 178.00 181.35 3dxk n ARG 230 N -4.58 0.13 -0.09 1.05 1.85 -1.26 -0.66 116.66 113.10 3dxk n ARG 230 Ca 0.37 0.45 -0.14 0.00 -1.00 0.00 0.00 57.85 57.52 3dxk n ARG 230 Cb 1.45 -1.80 -0.08 0.00 -1.05 0.00 0.00 32.46 30.98 3dxk n ARG 230 CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 177.63 178.34 3dxk n HIS 231 N -2.06 0.00 0.19 2.89 8.25 0.27 -4.60 115.22 120.17 3dxk n HIS 231 Ca 0.01 0.00 0.08 0.00 -0.26 0.00 0.00 57.72 57.55 3dxk n HIS 231 Cb 0.16 -0.69 0.28 0.00 1.12 0.00 0.00 29.99 30.86 3dxk n HIS 231 CO 0.00 0.00 0.00 1.79 0.64 0.00 0.00 176.34 178.77 3dxk h THR 232 N -0.13 0.61 -3.33 1.59 1.35 -1.26 -2.83 112.91 108.90 3dxk h THR 232 Ca -0.42 -1.48 -0.52 0.00 -0.55 0.00 0.00 66.41 63.45 3dxk h THR 232 Cb 1.58 2.01 0.22 0.00 -1.73 0.00 0.00 68.15 70.23 3dxk h THR 232 CO -0.11 0.29 -0.56 -0.46 -0.25 0.00 0.00 175.52 174.43 3dxk n ASN 233 N -3.31 -1.92 0.00 5.36 0.23 0.16 -4.46 115.26 111.33 3dxk n ASN 233 Ca 0.01 0.27 0.00 0.00 -0.53 0.00 0.00 54.58 54.33 3dxk n ASN 233 Cb 0.54 -1.20 0.03 0.00 -2.08 0.00 0.00 39.78 37.07 3dxk n ASN 233 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3dxk n ALA 234 N -3.79 1.88 -0.05 -2.53 0.00 -1.26 -1.97 120.51 112.79 3dxk n ALA 234 Ca 0.06 -0.01 -0.02 0.00 0.00 0.00 0.00 53.44 53.47 3dxk n ALA 234 Cb 0.55 -1.02 -0.11 0.00 0.00 0.00 0.00 19.45 18.87 3dxk n ALA 234 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3dxk n SER 235 N -0.54 1.49 -0.04 0.00 2.88 -1.26 -4.61 113.62 111.54 3dxk n SER 235 Ca 0.01 0.00 -0.02 0.00 -1.33 0.00 0.00 58.87 57.53 3dxk n SER 235 Cb 0.00 1.11 -0.10 0.00 -0.75 0.00 0.00 64.21 64.48 3dxk n SER 235 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3dxk n ALA 236 N -2.37 1.98 -0.02 -1.46 0.00 -1.10 -4.82 120.51 112.71 3dxk n ALA 236 Ca -0.17 -0.65 -0.01 0.00 0.00 0.00 0.00 53.44 52.62 3dxk n ALA 236 Cb 0.79 -0.17 -0.01 0.00 0.00 0.00 0.00 19.45 20.06 3dxk n ALA 236 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3dxk n ARG 237 N -2.29 -0.02 0.27 0.00 0.63 -0.83 -0.99 116.66 113.43 3dxk n ARG 237 Ca -0.14 0.12 -0.17 0.00 -0.92 0.00 0.00 57.85 56.74 3dxk n ARG 237 Cb 0.71 -0.17 -0.09 0.00 0.45 0.00 0.00 32.46 33.36 3dxk n ARG 237 CO 0.00 0.00 0.00 -0.44 -2.51 0.00 0.00 177.63 174.68 3dxk h ASP 238 N 0.00 -1.31 -0.99 6.15 3.32 -1.89 0.35 116.42 122.06 3dxk h ASP 238 Ca 0.01 0.11 0.18 0.00 0.02 0.00 0.00 57.03 57.35 3dxk h ASP 238 Cb 0.02 0.43 -0.10 0.00 0.22 0.00 0.00 39.33 39.91 3dxk h ASP 238 CO -0.05 -0.62 0.61 -1.13 -1.72 0.00 0.00 179.24 176.33 3dxk h ASN 239 N -0.94 0.74 -0.60 6.45 -1.24 -1.52 0.49 115.58 118.96 3dxk h ASN 239 Ca -0.06 0.08 -0.07 0.00 0.71 0.00 0.00 56.30 56.96 3dxk h ASN 239 Cb 0.82 -0.06 -0.02 0.00 0.73 0.00 0.00 38.32 39.79 3dxk h ASN 239 CO -0.06 0.29 0.10 0.74 -1.29 0.00 0.00 177.43 177.21 3dxk h THR 240 N 0.73 1.26 -0.72 -3.57 2.02 -0.25 -2.09 112.91 110.28 3dxk h THR 240 Ca 0.55 -0.99 -0.06 0.00 0.77 0.00 0.00 66.41 66.68 3dxk h THR 240 Cb 0.89 0.73 -0.03 0.00 -1.74 0.00 0.00 68.15 68.00 3dxk h THR 240 CO -0.33 0.36 0.20 0.40 0.37 0.00 0.00 175.52 176.53 3dxk h ILE 241 N 0.90 1.26 -0.78 3.11 2.04 0.31 -1.56 117.51 122.80 3dxk h ILE 241 Ca 0.18 -0.94 -0.00 0.00 1.00 0.00 0.00 64.86 65.10 3dxk h ILE 241 Cb 0.42 0.50 -0.04 0.00 -0.74 0.00 0.00 36.82 36.96 3dxk h ILE 241 CO 0.01 0.37 0.48 0.78 0.00 0.00 0.00 178.15 179.79 3dxk h ASN 242 N 1.08 0.92 0.01 1.72 2.35 0.08 -2.26 115.58 119.49 3dxk h ASN 242 Ca 0.23 -0.05 -0.00 0.00 -0.55 0.00 0.00 56.30 55.93 3dxk h ASN 242 Cb 0.34 -0.23 0.00 0.00 0.05 0.00 0.00 38.32 38.48 3dxk h ASN 242 CO -0.00 0.70 -0.01 -0.07 -1.65 0.00 0.00 177.43 176.40 3dxk h LEU 243 N 1.07 -0.02 -1.23 1.61 3.38 -1.13 -3.35 115.31 115.66 3dxk h LEU 243 Ca 0.28 -0.74 0.01 0.00 0.09 0.00 0.00 57.88 57.52 3dxk h LEU 243 Cb -0.06 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.65 3dxk h LEU 243 CO -0.05 0.83 0.52 -0.29 0.09 0.00 0.00 178.44 179.54 3dxk h ILE 244 N -0.95 1.20 0.00 1.22 6.09 -1.30 -2.21 117.51 121.56 3dxk h ILE 244 Ca -0.00 -0.37 0.00 0.00 -1.37 0.00 0.00 64.86 63.12 3dxk h ILE 244 Cb 0.75 0.04 0.00 0.00 0.47 0.00 0.00 36.82 38.08 3dxk h ILE 244 CO 0.00 0.20 0.00 0.00 -3.07 0.00 0.00 178.15 175.28 3dxk n HIS 245 N -4.42 0.00 0.52 2.19 1.44 -0.85 -2.69 115.22 111.41 3dxk n HIS 245 Ca 0.09 0.00 0.06 0.00 -2.01 0.00 0.00 57.72 55.86 3dxk n HIS 245 Cb 0.03 -0.22 0.05 0.00 0.12 0.00 0.00 29.99 29.97 3dxk n HIS 245 CO 0.00 0.00 0.00 0.25 -2.81 0.00 0.00 176.34 173.78 3dxk n THR 246 N -1.22 0.00 0.01 0.61 -2.24 -0.86 -4.72 114.28 105.87 3dxk n THR 246 Ca 0.14 -0.48 -0.10 0.00 -2.27 0.00 0.00 64.05 61.34 3dxk n THR 246 Cb 0.18 1.24 -0.03 0.00 -2.10 0.00 0.00 70.33 69.62 3dxk n THR 246 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 3dxk h PHE 247 N 2.30 -0.39 -0.40 4.78 3.57 -1.27 0.23 116.94 125.76 3dxk h PHE 247 Ca 0.00 0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.59 3dxk h PHE 247 Cb 0.50 0.19 -0.07 0.00 2.79 0.00 0.00 35.95 39.37 3dxk h PHE 247 CO 0.00 -0.22 -0.01 -0.09 -2.23 0.00 0.00 178.31 175.75 3dxk h ARG 248 N -0.21 0.09 -0.22 1.11 1.12 -1.84 0.28 114.38 114.71 3dxk h ARG 248 Ca 0.08 -0.01 -0.11 0.00 -1.11 0.00 0.00 59.98 58.84 3dxk h ARG 248 Cb 0.32 -0.02 -0.01 0.00 -0.01 0.00 0.00 29.97 30.25 3dxk h ARG 248 CO -0.22 0.06 -0.34 -0.44 -3.11 0.00 0.00 179.97 175.93 3dxk h ASP 249 N 0.09 0.47 -0.92 -3.80 3.32 -1.83 -2.61 116.42 111.14 3dxk h ASP 249 Ca 0.20 -0.18 0.04 0.00 0.02 0.00 0.00 57.03 57.10 3dxk h ASP 249 Cb 0.28 -0.13 -0.05 0.00 0.22 0.00 0.00 39.33 39.65 3dxk h ASP 249 CO -0.34 0.78 0.60 0.22 -1.72 0.00 0.00 179.24 178.78 3dxk h TYR 250 N 0.39 1.12 0.02 4.55 3.20 0.78 0.61 116.97 127.63 3dxk h TYR 250 Ca 0.05 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.94 3dxk h TYR 250 Cb 0.78 -0.37 0.00 0.00 1.54 0.00 0.00 36.73 38.68 3dxk h TYR 250 CO 0.02 0.64 -0.01 1.25 -1.64 0.00 0.00 178.16 178.42 3dxk h LEU 251 N 1.15 -0.02 -0.97 2.82 5.85 -0.75 -2.67 115.31 120.73 3dxk h LEU 251 Ca 0.37 -0.46 -0.08 0.00 0.84 0.00 0.00 57.88 58.55 3dxk h LEU 251 Cb 0.02 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.03 3dxk h LEU 251 CO -0.12 0.45 -0.09 0.45 -0.34 0.00 0.00 178.44 178.79 3dxk h HIS 252 N -0.50 0.70 -0.49 1.25 3.86 -1.35 -2.17 115.15 116.45 3dxk h HIS 252 Ca -0.00 -0.11 -0.01 0.00 -1.16 0.00 0.00 60.37 59.09 3dxk h HIS 252 Cb 0.48 -0.19 -0.02 0.00 1.06 0.00 0.00 27.41 28.74 3dxk h HIS 252 CO 0.09 0.72 0.27 -0.92 0.86 0.00 0.00 177.93 178.95 3dxk h TYR 253 N 0.60 0.67 0.00 2.45 3.20 -0.90 -2.47 116.97 120.51 3dxk h TYR 253 Ca 0.11 -0.01 -0.08 0.00 3.14 0.00 0.00 58.73 61.88 3dxk h TYR 253 Cb 0.51 -0.21 -0.01 0.00 1.54 0.00 0.00 36.73 38.56 3dxk h TYR 253 CO 0.02 0.49 -0.40 0.45 -1.64 0.00 0.00 178.16 177.08 3dxk h HIS 254 N 0.65 0.00 -0.42 -3.82 3.86 -1.27 -1.51 115.15 112.64 3dxk h HIS 254 Ca 0.17 0.00 -0.11 0.00 -1.16 0.00 0.00 60.37 59.27 3dxk h HIS 254 Cb 0.04 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.50 3dxk h HIS 254 CO -0.02 0.40 -0.18 0.82 0.86 0.00 0.00 177.93 179.81 3dxk h ILE 255 N 0.00 1.27 -0.11 2.45 2.04 -1.18 -1.52 117.51 120.46 3dxk h ILE 255 Ca -0.00 -1.29 -0.09 0.00 1.00 0.00 0.00 64.86 64.48 3dxk h ILE 255 Cb 0.88 1.14 0.00 0.00 -0.74 0.00 0.00 36.82 38.10 3dxk h ILE 255 CO 0.05 0.43 -0.28 0.11 0.00 0.00 0.00 178.15 178.47 3dxk h LYS 256 N 0.71 0.38 0.00 2.37 1.57 -1.02 -2.73 116.57 117.85 3dxk h LYS 256 Ca 0.11 -0.27 -0.02 0.00 -1.87 0.00 0.00 60.65 58.60 3dxk h LYS 256 Cb 0.69 0.04 -0.00 0.00 0.08 0.00 0.00 32.23 33.04 3dxk h LYS 256 CO 0.05 0.88 -0.08 0.00 -0.57 0.00 0.00 179.45 179.73 3dxk h SER 258 N 0.00 0.84 -0.09 0.00 0.87 -1.13 -1.69 113.55 112.34 3dxk h SER 258 Ca -0.00 -0.40 -0.13 0.00 -1.23 0.00 0.00 61.79 60.03 3dxk h SER 258 Cb 0.20 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 61.92 3dxk h SER 258 CO 0.01 1.05 -0.38 0.11 -0.53 0.00 0.00 176.83 177.09 3dxk h LYS 259 N 0.62 0.61 -0.94 2.24 1.57 -0.97 -1.80 116.57 117.90 3dxk h LYS 259 Ca 0.09 -0.30 0.01 0.00 -1.87 0.00 0.00 60.65 58.58 3dxk h LYS 259 Cb 0.73 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.99 3dxk h LYS 259 CO 0.06 0.89 0.61 0.00 -0.57 0.00 0.00 179.45 180.44 3dxk h ALA 260 N 1.08 1.31 -0.32 3.86 0.00 -1.07 -1.00 119.26 123.12 3dxk h ALA 260 Ca 0.05 -0.07 -0.12 0.00 0.00 0.00 0.00 54.91 54.77 3dxk h ALA 260 Cb 0.88 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 3dxk h ALA 260 CO 0.08 0.63 -0.26 -0.92 0.00 0.00 0.00 179.25 178.78 3dxk h TYR 261 N 1.28 0.88 -0.53 0.00 3.20 -1.00 -2.79 116.97 118.02 3dxk h TYR 261 Ca 0.34 -0.25 0.01 0.00 3.14 0.00 0.00 58.73 61.97 3dxk h TYR 261 Cb -0.13 -0.19 -0.03 0.00 1.54 0.00 0.00 36.73 37.92 3dxk h TYR 261 CO 0.00 1.00 0.35 0.82 -1.64 0.00 0.00 178.16 178.69 3dxk h ILE 262 N 0.51 1.13 -0.82 1.81 1.08 -0.89 -1.57 117.51 118.75 3dxk h ILE 262 Ca 0.06 -0.24 -0.01 0.00 -0.39 0.00 0.00 64.86 64.28 3dxk h ILE 262 Cb 0.83 0.36 -0.04 0.00 -3.07 0.00 0.00 36.82 34.90 3dxk h ILE 262 CO 0.07 0.13 0.46 0.45 -0.69 0.00 0.00 178.15 178.57 3dxk h HIS 263 N 0.70 1.10 0.00 1.37 3.86 -0.94 -0.26 115.15 120.99 3dxk h HIS 263 Ca 0.19 -0.02 -0.08 0.00 -1.16 0.00 0.00 60.37 59.31 3dxk h HIS 263 Cb -0.07 -0.36 -0.01 0.00 1.06 0.00 0.00 27.41 28.03 3dxk h HIS 263 CO -0.00 0.76 -0.37 1.79 0.86 0.00 0.00 177.93 180.96 3dxk h THR 264 N 1.13 1.09 -0.24 2.45 1.35 -1.05 0.48 112.91 118.12 3dxk h THR 264 Ca 0.29 -1.37 -0.06 0.00 -0.55 0.00 0.00 66.41 64.72 3dxk h THR 264 Cb 0.00 1.77 -0.01 0.00 -1.73 0.00 0.00 68.15 68.19 3dxk h THR 264 CO -0.05 0.37 -0.10 0.03 -0.25 0.00 0.00 175.52 175.52 3dxk h ARG 265 N 0.00 0.48 -0.62 4.72 3.08 -0.96 -2.06 114.38 119.03 3dxk h ARG 265 Ca -0.00 -0.21 -0.03 0.00 0.07 0.00 0.00 59.98 59.81 3dxk h ARG 265 Cb 0.74 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.75 3dxk h ARG 265 CO 0.05 0.74 0.26 0.52 -1.07 0.00 0.00 179.97 180.47 3dxk h MET 266 N 0.21 0.89 -0.36 0.04 2.86 -0.49 0.94 114.93 119.03 3dxk h MET 266 Ca 0.05 -0.14 -0.04 0.00 -2.06 0.00 0.00 59.70 57.52 3dxk h MET 266 Cb 0.59 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 32.08 3dxk h MET 266 CO 0.03 0.72 0.08 0.00 1.06 0.00 0.00 176.91 178.80 3dxk h ARG 267 N 0.88 0.58 -0.48 1.72 3.08 -0.78 0.43 114.38 119.82 3dxk h ARG 267 Ca 0.21 -0.15 -0.05 0.00 0.07 0.00 0.00 59.98 60.07 3dxk h ARG 267 Cb 0.16 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.11 3dxk h ARG 267 CO -0.02 0.63 0.12 0.00 -1.07 0.00 0.00 179.97 179.63 3dxk h ALA 268 N 0.92 0.63 0.01 0.04 0.00 -0.95 -0.08 119.26 119.83 3dxk h ALA 268 Ca 0.11 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 3dxk h ALA 268 Cb 0.32 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3dxk h ALA 268 CO 0.00 0.31 -0.00 -0.22 0.00 0.00 0.00 179.25 179.34 3dxk h LYS 269 N 0.65 -0.01 -0.71 0.00 1.63 -0.65 -1.62 116.57 115.85 3dxk h LYS 269 Ca 0.15 0.00 0.07 0.00 -0.85 0.00 0.00 60.65 60.02 3dxk h LYS 269 Cb 0.32 0.00 -0.06 0.00 -0.60 0.00 0.00 32.23 31.89 3dxk h LYS 269 CO 0.00 0.31 0.40 1.15 -3.45 0.00 0.00 179.45 177.86 3dxk h THR 270 N -0.33 0.94 -0.72 1.00 2.02 -0.89 -0.68 112.91 114.26 3dxk h THR 270 Ca -0.00 -0.24 0.05 0.00 0.77 0.00 0.00 66.41 66.99 3dxk h THR 270 Cb 0.32 0.17 -0.05 0.00 -1.74 0.00 0.00 68.15 66.85 3dxk h THR 270 CO 0.00 0.13 0.43 -1.28 0.37 0.00 0.00 175.52 175.17 3dxk h SER 271 N 0.71 0.66 -0.36 4.18 0.87 -0.86 -0.78 113.55 117.96 3dxk h SER 271 Ca 0.33 0.02 -0.04 0.00 -1.23 0.00 0.00 61.79 60.87 3dxk h SER 271 Cb 0.24 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 62.07 3dxk h SER 271 CO -0.21 0.43 0.06 0.44 -0.53 0.00 0.00 176.83 177.03 3dxk h ASP 272 N 0.79 0.58 -0.87 6.23 3.45 -0.23 -1.99 116.42 124.38 3dxk h ASP 272 Ca 0.31 -0.26 0.06 0.00 0.43 0.00 0.00 57.03 57.58 3dxk h ASP 272 Cb 0.15 -0.15 -0.06 0.00 -0.56 0.00 0.00 39.33 38.70 3dxk h ASP 272 CO -0.16 0.68 0.54 -0.26 -1.57 0.00 0.00 179.24 178.47 3dxk h PHE 273 N 0.44 0.99 -0.15 4.55 0.05 -0.71 -0.27 116.94 121.85 3dxk h PHE 273 Ca 0.11 0.03 -0.07 0.00 3.82 0.00 0.00 57.97 61.86 3dxk h PHE 273 Cb 0.35 -0.32 -0.01 0.00 2.00 0.00 0.00 35.95 37.97 3dxk h PHE 273 CO 0.02 0.50 -0.23 -0.07 -0.18 0.00 0.00 178.31 178.35 3dxk h LEU 274 N 0.97 0.25 -0.40 1.54 3.38 -0.84 -0.30 115.31 119.91 3dxk h LEU 274 Ca 0.38 -0.07 -0.10 0.00 0.09 0.00 0.00 57.88 58.18 3dxk h LEU 274 Cb 0.18 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 3dxk h LEU 274 CO -0.18 0.50 -0.15 0.11 0.09 0.00 0.00 178.44 178.81 3dxk h LYS 275 N 0.24 0.81 0.27 1.13 1.57 -0.35 -1.61 116.57 118.63 3dxk h LYS 275 Ca 0.04 -0.34 -0.01 0.00 -1.87 0.00 0.00 60.65 58.47 3dxk h LYS 275 Cb 0.54 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.82 3dxk h LYS 275 CO 0.04 0.96 -0.13 0.28 -0.57 0.00 0.00 179.45 180.03 3dxk h VAL 276 N 0.62 0.77 -0.77 0.50 2.07 -0.80 -2.55 116.25 116.10 3dxk h VAL 276 Ca 0.09 -0.41 0.18 0.00 0.82 0.00 0.00 66.70 67.38 3dxk h VAL 276 Cb 0.70 1.00 -0.12 0.00 -1.52 0.00 0.00 31.29 31.34 3dxk h VAL 276 CO 0.05 0.09 0.13 -0.07 0.02 0.00 0.00 177.57 177.79 3dxk h LEU 277 N -0.59 -0.12 -0.67 2.57 3.38 -1.02 0.18 115.31 119.04 3dxk h LEU 277 Ca -0.04 0.17 0.00 0.00 0.09 0.00 0.00 57.88 58.11 3dxk h LEU 277 Cb 0.42 0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.44 3dxk h LEU 277 CO 0.06 -0.11 0.00 0.59 0.09 0.00 0.00 178.44 179.07 3dxk n ASN 278 N -5.24 0.66 -0.31 -0.43 3.02 -0.61 -1.79 115.26 110.57 3dxk n ASN 278 Ca 0.15 0.66 0.12 0.00 -0.03 0.00 0.00 54.58 55.48 3dxk n ASN 278 Cb 0.51 -0.80 0.55 0.00 -0.61 0.00 0.00 39.78 39.43 3dxk n ASN 278 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3dxk n ARG 279 N -2.23 1.41 0.00 3.52 1.74 0.62 -2.94 116.66 118.78 3dxk n ARG 279 Ca 0.02 -0.61 0.13 0.00 -0.77 0.00 0.00 57.85 56.62 3dxk n ARG 279 Cb 0.23 -1.41 0.34 0.00 -1.02 0.00 0.00 32.46 30.61 3dxk n ARG 279 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3dxk n ALA 280 N -0.21 2.71 -2.27 7.54 0.00 -0.74 -4.88 120.51 122.66 3dxk n ALA 280 Ca 0.18 -0.52 -0.38 0.00 0.00 0.00 0.00 53.44 52.72 3dxk n ALA 280 Cb 0.23 -1.03 -0.06 0.00 0.00 0.00 0.00 19.45 18.59 3dxk n ALA 280 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3dxk s ARG 281 N -2.12 4.17 0.00 0.00 0.52 -1.15 -5.15 118.95 115.21 3dxk s ARG 281 Ca 0.31 0.71 0.05 0.00 -0.52 0.00 0.00 55.73 56.28 3dxk s ARG 281 Cb 0.20 -3.15 0.30 0.00 0.52 0.00 0.00 34.95 32.82 3dxk s ARG 281 CO 0.38 0.59 0.77 -2.30 0.02 0.00 0.00 175.30 174.75