#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bjk n LYS 14 N 0.00 0.65 0.00 1.43 5.02 -1.26 -5.12 118.16 118.88 3bjk n LYS 14 Ca 0.00 0.21 0.00 0.00 -2.02 0.00 0.00 58.31 56.50 3bjk n LYS 14 Cb 0.00 -1.72 0.00 0.00 -0.02 0.00 0.00 35.03 33.29 3bjk n LYS 14 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3bjk n GLY 15 N 1.60 -1.49 3.91 0.72 0.00 -1.26 -4.06 105.19 104.61 3bjk n GLY 15 Ca -0.21 -1.75 -0.29 0.00 0.00 0.00 0.00 46.02 43.77 3bjk n GLY 15 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3bjk s VAL 16 N 0.00 5.21 -0.16 1.61 -7.23 -0.36 -4.74 120.40 114.73 3bjk s VAL 16 Ca 0.00 -0.21 -0.29 0.00 -1.81 0.00 0.00 61.98 59.66 3bjk s VAL 16 Cb 0.00 -3.68 -0.01 0.00 0.56 0.00 0.00 36.38 33.25 3bjk s VAL 16 CO 0.00 -0.05 1.24 -0.22 -0.31 0.00 0.00 175.10 175.76 3bjk s LEU 17 N -2.96 4.18 -0.19 1.32 2.96 -1.26 -0.71 118.68 122.03 3bjk s LEU 17 Ca 0.39 1.68 -0.11 0.00 -0.22 0.00 0.00 54.13 55.87 3bjk s LEU 17 Cb -0.12 -3.54 -0.21 0.00 0.50 0.00 0.00 46.19 42.82 3bjk s LEU 17 CO 0.27 -0.74 0.14 0.18 -1.32 0.00 0.00 176.35 174.88 3bjk n LEU 18 N 6.46 2.39 -3.65 -0.68 4.77 0.72 -4.95 117.00 122.06 3bjk n LEU 18 Ca 0.13 0.23 -0.15 0.00 -0.03 0.00 0.00 56.01 56.19 3bjk n LEU 18 Cb 0.45 -1.01 -0.08 0.00 -2.33 0.00 0.00 43.42 40.46 3bjk n LEU 18 CO 0.55 0.67 0.24 -0.22 -1.33 0.00 0.00 177.39 177.30 3bjk s LEU 19 N -7.25 0.01 -0.16 2.23 0.20 -1.05 -4.84 118.68 107.82 3bjk s LEU 19 Ca -0.28 0.63 -0.08 0.00 0.69 0.00 0.00 54.13 55.09 3bjk s LEU 19 Cb 0.08 1.92 0.06 0.00 -0.43 0.00 0.00 46.19 47.82 3bjk s LEU 19 CO 0.66 -0.43 0.37 -0.60 -0.29 0.00 0.00 176.35 176.06 3bjk s ARG 20 N -0.78 0.32 0.33 1.98 3.52 -1.26 -0.60 118.95 122.46 3bjk s ARG 20 Ca -0.08 0.80 -0.15 0.00 -0.13 0.00 0.00 55.73 56.17 3bjk s ARG 20 Cb -0.03 0.03 0.03 0.00 -1.56 0.00 0.00 34.95 33.42 3bjk s ARG 20 CO 0.05 -0.19 0.67 -0.08 -0.81 0.00 0.00 175.30 174.94 3bjk s THR 21 N 1.73 0.00 -0.14 4.11 -1.32 -0.13 -5.01 115.64 114.89 3bjk s THR 21 Ca -0.07 -1.16 -0.04 0.00 -1.21 0.00 0.00 61.69 59.21 3bjk s THR 21 Cb -0.10 -2.48 -0.03 0.00 -1.51 0.00 0.00 72.50 68.38 3bjk s THR 21 CO -0.12 0.00 0.00 -0.22 -2.21 0.00 0.00 174.62 172.07 3bjk s LEU 22 N -3.05 3.51 0.02 9.08 2.96 -1.26 -0.09 118.68 129.84 3bjk s LEU 22 Ca 0.18 0.02 -0.30 0.00 -0.22 0.00 0.00 54.13 53.80 3bjk s LEU 22 Cb -0.04 -1.84 -0.06 0.00 0.50 0.00 0.00 46.19 44.75 3bjk s LEU 22 CO 0.11 0.24 1.43 0.00 -1.32 0.00 0.00 176.35 176.82 3bjk s ALA 23 N -0.06 3.59 0.13 5.97 0.00 -0.36 -4.94 121.76 126.09 3bjk s ALA 23 Ca 0.03 0.94 0.06 0.00 0.00 0.00 0.00 51.96 53.00 3bjk s ALA 23 Cb -0.13 -3.60 -0.04 0.00 0.00 0.00 0.00 23.12 19.35 3bjk s ALA 23 CO 0.02 -0.91 -0.02 -1.64 0.00 0.00 0.00 175.76 173.21 3bjk s MET 24 N 2.32 2.40 0.52 0.00 -1.94 -1.26 -0.85 119.30 120.49 3bjk s MET 24 Ca 0.65 -0.99 0.17 0.00 -1.71 0.00 0.00 55.69 53.81 3bjk s MET 24 Cb -0.33 -2.42 1.27 0.00 2.01 0.00 0.00 34.83 35.37 3bjk s MET 24 CO 0.28 0.50 2.12 -1.35 -0.01 0.00 0.00 175.02 176.55 3bjk h PRO 25 N 3.15 0.03 -0.04 2.03 0.11 -1.97 -2.18 132.00 133.13 3bjk h PRO 25 Ca -0.48 -0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.64 3bjk h PRO 25 Cb 1.18 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.28 3bjk h PRO 25 CO 0.57 0.02 0.13 0.66 -0.21 0.00 0.00 178.00 179.17 3bjk h SER 26 N 0.03 0.00 -0.64 -2.05 4.64 -2.02 -2.46 113.55 111.06 3bjk h SER 26 Ca 0.05 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.24 3bjk h SER 26 Cb 0.18 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 62.19 3bjk h SER 26 CO -0.00 0.00 0.16 0.47 -0.87 0.00 0.00 176.83 176.59 3bjk n ASP 27 N -3.24 4.91 -4.87 4.97 8.00 -0.82 -4.98 116.55 120.53 3bjk n ASP 27 Ca -0.02 -3.15 -0.30 0.00 0.71 0.00 0.00 54.79 52.03 3bjk n ASP 27 Cb 0.20 -0.71 -0.02 0.00 -0.02 0.00 0.00 41.12 40.57 3bjk n ASP 27 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3bjk s THR 28 N -2.94 4.74 0.64 -3.53 -4.23 -0.93 -0.40 115.64 108.99 3bjk s THR 28 Ca 0.54 0.71 0.06 0.00 -1.18 0.00 0.00 61.69 61.81 3bjk s THR 28 Cb 0.43 -3.78 0.12 0.00 1.34 0.00 0.00 72.50 70.60 3bjk s THR 28 CO 0.13 -0.72 0.88 -0.46 -0.54 0.00 0.00 174.62 173.91 3bjk n ASN 29 N -1.76 1.81 0.28 3.99 0.23 0.10 -4.53 115.26 115.38 3bjk n ASN 29 Ca 0.03 -2.38 0.16 0.00 -0.53 0.00 0.00 54.58 51.87 3bjk n ASN 29 Cb 0.54 -0.51 0.81 0.00 -2.08 0.00 0.00 39.78 38.54 3bjk n ASN 29 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3bjk h ALA 30 N -0.17 1.13 0.00 -2.53 0.00 -1.99 -0.37 119.26 115.33 3bjk h ALA 30 Ca -0.29 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.55 3bjk h ALA 30 Cb 1.23 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.01 3bjk h ALA 30 CO 0.37 0.09 0.00 0.09 0.00 0.00 0.00 179.25 179.80 3bjk n ASN 31 N -3.36 0.78 0.00 0.00 3.02 -1.26 -4.93 115.26 109.51 3bjk n ASN 31 Ca -0.01 0.63 0.00 0.00 -0.03 0.00 0.00 54.58 55.16 3bjk n ASN 31 Cb 0.23 -0.82 0.00 0.00 -0.61 0.00 0.00 39.78 38.59 3bjk n ASN 31 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3bjk n GLY 32 N 0.68 0.42 3.96 7.41 0.00 -0.15 -5.07 105.19 112.44 3bjk n GLY 32 Ca 0.04 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.82 3bjk n GLY 32 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3bjk s ASP 33 N -2.51 4.67 0.22 1.61 1.01 -1.26 -4.73 116.67 115.69 3bjk s ASP 33 Ca 0.00 0.11 -0.30 0.00 0.71 0.00 0.00 52.55 53.07 3bjk s ASP 33 Cb 0.00 -0.71 -0.09 0.00 1.01 0.00 0.00 42.92 43.13 3bjk s ASP 33 CO 0.00 -1.65 1.34 -0.63 0.21 0.00 0.00 175.17 174.44 3bjk s ILE 34 N -3.15 3.04 0.15 0.77 -1.09 0.35 0.01 121.20 121.26 3bjk s ILE 34 Ca 0.62 0.88 -0.31 0.00 -2.23 0.00 0.00 60.65 59.60 3bjk s ILE 34 Cb -0.09 -3.56 -0.10 0.00 -1.58 0.00 0.00 42.46 37.14 3bjk s ILE 34 CO 0.44 0.14 1.63 0.12 -1.23 0.00 0.00 174.94 176.03 3bjk s PHE 35 N -0.05 2.83 0.44 3.97 5.36 0.46 -4.64 117.98 126.36 3bjk s PHE 35 Ca 0.56 0.47 0.15 0.00 -0.96 0.00 0.00 56.93 57.16 3bjk s PHE 35 Cb -0.38 -3.98 1.07 0.00 -0.34 0.00 0.00 43.02 39.39 3bjk s PHE 35 CO 0.41 -3.74 1.97 0.78 -1.46 0.00 0.00 175.22 173.18 3bjk h GLY 36 N 7.33 0.54 1.53 13.12 0.00 -1.92 0.45 103.07 124.11 3bjk h GLY 36 Ca -0.43 -0.15 -0.01 0.00 0.00 0.00 0.00 47.33 46.74 3bjk h GLY 36 CO 0.93 0.08 0.24 -1.33 0.00 0.00 0.00 176.54 176.46 3bjk h GLY 37 N 0.37 0.67 0.95 4.60 0.00 -1.96 -0.64 103.07 107.05 3bjk h GLY 37 Ca 0.29 -0.29 -0.13 0.00 0.00 0.00 0.00 47.33 47.20 3bjk h GLY 37 CO -0.08 0.28 -0.36 -0.25 0.00 0.00 0.00 176.54 176.13 3bjk h TRP 38 N 0.63 0.80 -0.30 5.60 7.01 -1.25 -1.50 115.95 126.94 3bjk h TRP 38 Ca 0.16 -0.27 0.03 0.00 2.11 0.00 0.00 58.89 60.92 3bjk h TRP 38 Cb 0.03 -0.16 -0.03 0.00 -2.10 0.00 0.00 29.16 26.91 3bjk h TRP 38 CO 0.00 1.02 0.12 0.82 -2.79 0.00 0.00 178.44 177.62 3bjk h ILE 39 N 0.35 0.95 -0.90 2.65 2.04 -1.17 -0.37 117.51 121.05 3bjk h ILE 39 Ca 0.02 -0.09 0.00 0.00 1.00 0.00 0.00 64.86 65.79 3bjk h ILE 39 Cb 0.94 0.66 -0.04 0.00 -0.74 0.00 0.00 36.82 37.64 3bjk h ILE 39 CO 0.08 0.05 0.57 0.24 0.00 0.00 0.00 178.15 179.09 3bjk h MET 40 N 0.26 1.20 -0.44 2.37 2.86 -1.02 -1.82 114.93 118.35 3bjk h MET 40 Ca 0.13 -0.09 0.02 0.00 -2.06 0.00 0.00 59.70 57.70 3bjk h MET 40 Cb 0.08 -0.26 -0.03 0.00 0.06 0.00 0.00 31.60 31.44 3bjk h MET 40 CO -0.11 0.82 0.25 0.77 1.06 0.00 0.00 176.91 179.70 3bjk h SER 41 N 1.23 0.40 -0.72 1.22 0.02 -1.00 -0.81 113.55 113.89 3bjk h SER 41 Ca 0.33 0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.28 3bjk h SER 41 Cb -0.10 -0.08 -0.03 0.00 0.14 0.00 0.00 62.40 62.33 3bjk h SER 41 CO -0.07 0.29 0.42 1.56 -1.14 0.00 0.00 176.83 177.89 3bjk h GLN 42 N 0.51 0.98 -0.54 3.45 1.08 -0.57 -1.59 115.11 118.42 3bjk h GLN 42 Ca 0.18 -0.10 -0.03 0.00 -1.45 0.00 0.00 58.65 57.25 3bjk h GLN 42 Cb 0.02 -0.20 -0.02 0.00 -0.05 0.00 0.00 27.48 27.23 3bjk h GLN 42 CO -0.09 0.71 0.23 0.52 -0.95 0.00 0.00 178.83 179.25 3bjk h MET 43 N 0.98 0.80 -0.33 1.46 2.86 -1.09 0.13 114.93 119.74 3bjk h MET 43 Ca 0.25 -0.14 -0.04 0.00 -2.06 0.00 0.00 59.70 57.71 3bjk h MET 43 Cb -0.01 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 31.51 3bjk h MET 43 CO -0.05 0.69 0.03 0.00 1.06 0.00 0.00 176.91 178.65 3bjk h ALA 44 N 1.07 0.44 -0.17 6.32 0.00 -1.00 -0.58 119.26 125.35 3bjk h ALA 44 Ca 0.18 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 3bjk h ALA 44 Cb 0.18 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3bjk h ALA 44 CO -0.02 0.17 0.09 1.98 0.00 0.00 0.00 179.25 181.47 3bjk h MET 45 N 0.38 0.23 -0.37 0.00 -1.53 -1.13 -1.05 114.93 111.46 3bjk h MET 45 Ca 0.10 -0.03 -0.08 0.00 -3.44 0.00 0.00 59.70 56.25 3bjk h MET 45 Cb 0.39 -0.04 -0.01 0.00 -0.55 0.00 0.00 31.60 31.38 3bjk h MET 45 CO 0.01 0.25 -0.08 0.78 0.14 0.00 0.00 176.91 178.01 3bjk h GLY 46 N 0.16 0.77 1.15 1.39 0.00 -0.92 -2.54 103.07 103.08 3bjk h GLY 46 Ca 0.06 -0.63 -0.08 0.00 0.00 0.00 0.00 47.33 46.68 3bjk h GLY 46 CO -0.01 0.57 0.08 -1.33 0.00 0.00 0.00 176.54 175.86 3bjk h GLY 47 N 0.51 1.12 1.91 4.60 0.00 -1.08 -2.67 103.07 107.47 3bjk h GLY 47 Ca 0.10 -0.75 -0.02 0.00 0.00 0.00 0.00 47.33 46.66 3bjk h GLY 47 CO 0.03 0.69 -0.06 0.00 0.00 0.00 0.00 176.54 177.21 3bjk h ALA 48 N 1.11 1.75 0.20 3.60 0.00 -1.01 -0.12 119.26 124.79 3bjk h ALA 48 Ca 0.19 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 3bjk h ALA 48 Cb 0.45 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.19 3bjk h ALA 48 CO 0.01 0.19 -0.10 0.82 0.00 0.00 0.00 179.25 180.18 3bjk h ILE 49 N 0.11 0.87 -0.39 0.00 2.04 -1.10 0.31 117.51 119.36 3bjk h ILE 49 Ca 0.03 -0.38 0.04 0.00 1.00 0.00 0.00 64.86 65.55 3bjk h ILE 49 Cb 0.19 1.10 -0.04 0.00 -0.74 0.00 0.00 36.82 37.32 3bjk h ILE 49 CO 0.01 0.09 0.15 0.25 0.00 0.00 0.00 178.15 178.64 3bjk h LEU 50 N -0.45 0.17 -0.69 1.44 5.85 -1.42 -0.56 115.31 119.64 3bjk h LEU 50 Ca -0.03 0.04 0.05 0.00 0.84 0.00 0.00 57.88 58.78 3bjk h LEU 50 Cb 0.35 0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.34 3bjk h LEU 50 CO 0.05 0.14 0.40 0.00 -0.34 0.00 0.00 178.44 178.68 3bjk h ALA 51 N 1.25 0.92 -0.70 1.25 0.00 -0.85 -1.91 119.26 119.21 3bjk h ALA 51 Ca 0.18 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.05 3bjk h ALA 51 Cb 0.15 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 3bjk h ALA 51 CO -0.17 0.11 0.25 0.87 0.00 0.00 0.00 179.25 180.30 3bjk h LYS 52 N 0.75 1.05 -0.14 0.00 1.57 0.06 0.13 116.57 120.00 3bjk h LYS 52 Ca 0.30 -0.20 -0.00 0.00 -1.87 0.00 0.00 60.65 58.88 3bjk h LYS 52 Cb 0.15 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 3bjk h LYS 52 CO -0.16 0.88 0.08 0.93 -0.57 0.00 0.00 179.45 180.60 3bjk h GLU 53 N 1.02 0.19 -0.73 3.15 5.08 -0.64 -1.57 114.58 121.09 3bjk h GLU 53 Ca 0.23 -0.02 -0.06 0.00 -1.00 0.00 0.00 59.36 58.51 3bjk h GLU 53 Cb 0.24 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.42 3bjk h GLU 53 CO -0.01 0.20 0.23 0.82 -1.00 0.00 0.00 179.01 179.24 3bjk h ILE 54 N 0.13 1.26 -0.00 3.13 2.04 -1.26 -3.05 117.51 119.75 3bjk h ILE 54 Ca 0.05 -0.90 0.00 0.00 1.00 0.00 0.00 64.86 65.01 3bjk h ILE 54 Cb 0.07 0.45 0.00 0.00 -0.74 0.00 0.00 36.82 36.60 3bjk h ILE 54 CO -0.01 0.35 -0.04 0.00 0.00 0.00 0.00 178.15 178.46 3bjk n ALA 55 N -2.45 2.51 -3.21 1.87 0.00 0.45 -4.43 120.51 115.25 3bjk n ALA 55 Ca 0.06 -0.15 -0.23 0.00 0.00 0.00 0.00 53.44 53.12 3bjk n ALA 55 Cb 0.23 -1.45 0.02 0.00 0.00 0.00 0.00 19.45 18.25 3bjk n ALA 55 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3bjk n HIS 56 N -1.34 -1.91 -1.72 0.00 8.25 -0.62 -4.59 115.22 113.28 3bjk n HIS 56 Ca 0.11 0.51 0.00 0.00 -0.26 0.00 0.00 57.72 58.09 3bjk n HIS 56 Cb 0.29 -3.76 0.00 0.00 1.12 0.00 0.00 29.99 27.64 3bjk n HIS 56 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3bjk n GLY 57 N -1.37 -0.54 3.77 -1.41 0.00 -1.02 -5.07 105.19 99.55 3bjk n GLY 57 Ca -0.06 -0.81 -0.40 0.00 0.00 0.00 0.00 46.02 44.75 3bjk n GLY 57 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3bjk s ARG 58 N -1.52 3.79 0.18 1.61 0.52 -1.26 -4.36 118.95 117.91 3bjk s ARG 58 Ca 0.00 2.34 0.02 0.00 -0.52 0.00 0.00 55.73 57.56 3bjk s ARG 58 Cb 0.00 -2.70 -0.05 0.00 0.52 0.00 0.00 34.95 32.72 3bjk s ARG 58 CO 0.00 -0.70 0.02 0.14 0.02 0.00 0.00 175.30 174.78 3bjk s VAL 59 N -1.22 0.63 0.12 3.52 -7.23 -1.26 -1.57 120.40 113.39 3bjk s VAL 59 Ca 0.59 -1.98 0.07 0.00 -1.81 0.00 0.00 61.98 58.85 3bjk s VAL 59 Cb -0.42 -2.18 -0.04 0.00 0.56 0.00 0.00 36.38 34.30 3bjk s VAL 59 CO 0.54 -0.41 -0.17 0.68 -0.31 0.00 0.00 175.10 175.43 3bjk s VAL 60 N -3.69 1.52 -0.03 1.32 -7.23 -0.42 -4.89 120.40 106.99 3bjk s VAL 60 Ca 0.26 -1.63 -0.26 0.00 -1.81 0.00 0.00 61.98 58.54 3bjk s VAL 60 Cb 0.06 -1.52 -0.04 0.00 0.56 0.00 0.00 36.38 35.44 3bjk s VAL 60 CO 0.05 -0.25 0.81 -0.89 -0.31 0.00 0.00 175.10 174.51 3bjk s THR 61 N -1.65 4.94 -0.02 5.32 2.01 -1.26 -1.13 115.64 123.84 3bjk s THR 61 Ca 0.08 1.69 0.06 0.00 0.31 0.00 0.00 61.69 63.82 3bjk s THR 61 Cb -0.08 -4.15 -0.09 0.00 0.01 0.00 0.00 72.50 68.19 3bjk s THR 61 CO 0.04 0.24 0.11 1.33 -0.69 0.00 0.00 174.62 175.65 3bjk n VAL 62 N 3.67 0.11 -3.49 3.82 0.24 0.08 -4.94 118.33 117.81 3bjk n VAL 62 Ca 0.01 -0.17 -0.16 0.00 -2.04 0.00 0.00 64.34 61.98 3bjk n VAL 62 Cb 0.51 0.04 -0.05 0.00 -1.47 0.00 0.00 33.84 32.87 3bjk n VAL 62 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3bjk s ALA 63 N -2.37 -1.73 -0.02 2.33 0.00 -1.07 -4.99 121.76 113.91 3bjk s ALA 63 Ca -0.03 1.07 0.02 0.00 0.00 0.00 0.00 51.96 53.02 3bjk s ALA 63 Cb 0.03 0.25 0.01 0.00 0.00 0.00 0.00 23.12 23.41 3bjk s ALA 63 CO 0.26 -0.50 -0.05 0.08 0.00 0.00 0.00 175.76 175.55 3bjk s VAL 64 N -2.01 0.51 0.11 0.00 1.01 -1.26 -0.81 120.40 117.95 3bjk s VAL 64 Ca -0.07 -0.19 0.04 0.00 0.00 0.00 0.00 61.98 61.77 3bjk s VAL 64 Cb -0.00 -0.48 -0.04 0.00 0.00 0.00 0.00 36.38 35.86 3bjk s VAL 64 CO 0.02 0.18 -0.11 -1.61 0.00 0.00 0.00 175.10 173.58 3bjk s GLU 65 N 0.38 0.93 -1.35 2.72 2.02 0.29 -4.93 118.70 118.75 3bjk s GLU 65 Ca -0.05 -1.22 -0.06 0.00 0.02 0.00 0.00 54.97 53.66 3bjk s GLU 65 Cb -0.09 -0.66 0.02 0.00 0.10 0.00 0.00 34.13 33.51 3bjk s GLU 65 CO -0.00 0.11 0.99 0.43 0.02 0.00 0.00 175.26 176.81 3bjk n SER 66 N 0.44 -3.90 -4.68 -0.19 7.64 -1.26 -0.67 113.62 111.00 3bjk n SER 66 Ca -0.15 -0.68 -0.43 0.00 1.01 0.00 0.00 58.87 58.63 3bjk n SER 66 Cb 0.58 -4.57 -0.02 0.00 -1.01 0.00 0.00 64.21 59.18 3bjk n SER 66 CO 0.00 0.00 0.00 -0.32 -3.01 0.00 0.00 175.04 171.71 3bjk s MET 67 N -6.10 4.35 -0.11 1.43 1.75 -1.26 -4.04 119.30 115.32 3bjk s MET 67 Ca 0.35 1.45 0.02 0.00 -1.25 0.00 0.00 55.69 56.25 3bjk s MET 67 Cb -0.16 -3.59 0.01 0.00 2.84 0.00 0.00 34.83 33.93 3bjk s MET 67 CO 0.77 -0.45 -0.16 -0.80 -0.65 0.00 0.00 175.02 173.73 3bjk s ASN 68 N 1.25 2.56 -0.31 1.11 0.01 -0.24 -4.99 114.94 114.32 3bjk s ASN 68 Ca 0.49 -0.46 -0.14 0.00 -0.71 0.00 0.00 52.86 52.03 3bjk s ASN 68 Cb -0.19 -1.15 -0.03 0.00 0.41 0.00 0.00 41.25 40.29 3bjk s ASN 68 CO 0.15 0.03 0.34 -0.36 -1.51 0.00 0.00 177.10 175.75 3bjk s PHE 69 N 0.94 3.22 -0.22 2.20 0.08 -1.26 -2.05 117.98 120.90 3bjk s PHE 69 Ca -0.07 0.14 -0.16 0.00 0.12 0.00 0.00 56.93 56.95 3bjk s PHE 69 Cb -0.15 -2.59 -0.12 0.00 -0.57 0.00 0.00 43.02 39.59 3bjk s PHE 69 CO -0.01 -0.32 -0.15 -0.89 -0.10 0.00 0.00 175.22 173.75 3bjk n ILE 70 N 5.17 1.51 -4.06 0.64 5.41 0.17 -4.99 119.36 123.21 3bjk n ILE 70 Ca -0.10 -0.09 -0.08 0.00 1.00 0.00 0.00 62.75 63.49 3bjk n ILE 70 Cb 0.50 -2.09 -0.10 0.00 -0.71 0.00 0.00 39.64 37.23 3bjk n ILE 70 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 176.55 176.01 3bjk s LYS 71 N -2.49 0.53 0.62 0.38 1.02 -1.07 -5.05 119.74 113.68 3bjk s LYS 71 Ca -0.30 -1.03 -0.14 0.00 0.02 0.00 0.00 55.97 54.51 3bjk s LYS 71 Cb 0.08 0.15 -0.03 0.00 -0.52 0.00 0.00 37.83 37.51 3bjk s LYS 71 CO 0.47 -0.08 1.05 -1.25 -0.92 0.00 0.00 175.35 174.62 3bjk s PRO 72 N -3.13 3.27 -0.05 -1.68 0.04 -1.26 -4.75 135.00 127.44 3bjk s PRO 72 Ca -0.00 1.11 -0.07 0.00 0.04 0.00 0.00 61.00 62.07 3bjk s PRO 72 Cb 0.02 -2.03 -0.04 0.00 0.04 0.00 0.00 34.50 32.49 3bjk s PRO 72 CO -0.07 -0.84 0.22 0.42 0.04 0.00 0.00 177.00 176.77 3bjk s ILE 73 N -2.65 5.37 0.08 0.56 1.01 -1.26 -5.01 121.20 119.30 3bjk s ILE 73 Ca 0.61 0.24 0.05 0.00 0.00 0.00 0.00 60.65 61.56 3bjk s ILE 73 Cb -0.15 -3.51 -0.04 0.00 0.01 0.00 0.00 42.46 38.77 3bjk s ILE 73 CO 0.42 0.50 -0.04 -0.44 0.00 0.00 0.00 174.94 175.38 3bjk s SER 74 N -1.35 4.77 0.11 3.58 0.01 -1.26 -0.50 113.70 119.06 3bjk s SER 74 Ca 0.22 -0.24 -0.36 0.00 1.31 0.00 0.00 55.95 56.88 3bjk s SER 74 Cb -0.13 -1.06 -0.16 0.00 0.21 0.00 0.00 66.02 64.87 3bjk s SER 74 CO 0.11 0.19 1.32 0.52 0.41 0.00 0.00 173.24 175.78 3bjk n VAL 75 N 0.73 0.21 0.00 3.43 0.31 -1.26 -1.68 118.33 120.07 3bjk n VAL 75 Ca -0.12 -0.05 0.00 0.00 -0.01 0.00 0.00 64.34 64.16 3bjk n VAL 75 Cb 0.52 -0.88 0.00 0.00 -0.91 0.00 0.00 33.84 32.57 3bjk n VAL 75 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3bjk n GLY 76 N 2.46 1.67 3.77 2.92 0.00 -0.03 -5.00 105.19 110.98 3bjk n GLY 76 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 3bjk n GLY 76 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3bjk s ASP 77 N -2.68 6.08 0.00 1.61 1.01 -0.67 -4.69 116.67 117.33 3bjk s ASP 77 Ca 0.00 2.87 -0.25 0.00 0.71 0.00 0.00 52.55 55.87 3bjk s ASP 77 Cb 0.00 -2.65 -0.04 0.00 1.01 0.00 0.00 42.92 41.23 3bjk s ASP 77 CO 0.00 -1.03 0.79 -0.69 0.21 0.00 0.00 175.17 174.45 3bjk s VAL 78 N -1.20 4.85 -0.14 -1.27 1.01 -0.58 -1.22 120.40 121.85 3bjk s VAL 78 Ca 0.58 1.66 0.02 0.00 0.00 0.00 0.00 61.98 64.24 3bjk s VAL 78 Cb -0.43 -4.13 0.01 0.00 0.00 0.00 0.00 36.38 31.83 3bjk s VAL 78 CO 0.55 0.29 -0.20 -0.69 0.00 0.00 0.00 175.10 175.05 3bjk s VAL 79 N 0.40 1.93 -0.04 2.92 1.01 0.87 -1.57 120.40 125.92 3bjk s VAL 79 Ca 0.41 -0.89 0.07 0.00 0.00 0.00 0.00 61.98 61.56 3bjk s VAL 79 Cb -0.20 -1.73 -0.01 0.00 0.00 0.00 0.00 36.38 34.44 3bjk s VAL 79 CO 0.22 0.52 -0.25 0.00 0.00 0.00 0.00 175.10 175.60 3bjk s TYR 82 N -0.04 2.54 0.00 0.00 2.02 0.10 -0.20 117.35 121.78 3bjk s TYR 82 Ca 0.04 -0.26 0.01 0.00 -0.37 0.00 0.00 57.07 56.49 3bjk s TYR 82 Cb -0.13 -1.35 -0.01 0.00 -0.40 0.00 0.00 41.96 40.07 3bjk s TYR 82 CO 0.02 0.38 -0.05 0.20 -1.57 0.00 0.00 175.55 174.53 3bjk s GLY 83 N -2.11 0.24 -0.11 0.71 0.00 0.11 -1.34 107.32 104.82 3bjk s GLY 83 Ca 0.18 -0.26 -0.01 0.00 0.00 0.00 0.00 44.72 44.63 3bjk s GLY 83 CO 0.10 -0.23 -0.02 1.62 0.00 0.00 0.00 173.10 174.57 3bjk s GLN 84 N -0.28 0.90 0.02 2.90 0.74 -0.17 -1.23 119.66 122.55 3bjk s GLN 84 Ca 0.00 -0.10 -0.30 0.00 0.05 0.00 0.00 55.36 55.01 3bjk s GLN 84 Cb -0.03 -1.36 -0.05 0.00 1.10 0.00 0.00 33.01 32.67 3bjk s GLN 84 CO -0.00 -0.35 1.26 0.00 -0.55 0.00 0.00 175.29 175.65 3bjk n LEU 86 N 4.55 0.00 -3.64 0.00 4.77 0.46 -4.65 117.00 118.49 3bjk n LEU 86 Ca 0.11 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.94 3bjk n LEU 86 Cb 0.45 0.45 -0.07 0.00 -2.33 0.00 0.00 43.42 41.92 3bjk n LEU 86 CO 0.56 0.45 0.34 -0.75 -1.33 0.00 0.00 177.39 176.66 3bjk s LYS 87 N -2.44 0.80 -0.07 3.23 2.20 -1.20 -4.97 119.74 117.29 3bjk s LYS 87 Ca -0.09 0.76 0.02 0.00 -0.36 0.00 0.00 55.97 56.30 3bjk s LYS 87 Cb 0.05 0.39 0.01 0.00 -1.51 0.00 0.00 37.83 36.77 3bjk s LYS 87 CO 0.75 -0.13 -0.12 0.08 -0.36 0.00 0.00 175.35 175.56 3bjk s VAL 88 N 0.04 1.17 0.00 4.02 1.01 -1.26 -1.15 120.40 124.23 3bjk s VAL 88 Ca -0.02 -0.48 0.00 0.00 0.00 0.00 0.00 61.98 61.47 3bjk s VAL 88 Cb -0.04 -1.08 0.00 0.00 0.00 0.00 0.00 36.38 35.26 3bjk s VAL 88 CO 0.02 0.37 0.00 0.61 0.00 0.00 0.00 175.10 176.10 3bjk n GLY 89 N 3.96 2.37 0.26 4.51 0.00 0.30 -4.99 105.19 111.60 3bjk n GLY 89 Ca -0.21 -1.99 -0.16 0.00 0.00 0.00 0.00 46.02 43.66 3bjk n GLY 89 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3bjk h ARG 90 N 0.00 -0.55 0.00 1.61 2.43 -1.96 -3.40 114.38 112.52 3bjk h ARG 90 Ca 0.00 0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 3bjk h ARG 90 Cb 0.00 0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.68 3bjk h ARG 90 CO 0.00 -0.37 -0.62 -1.13 -1.51 0.00 0.00 179.97 176.34 3bjk n SER 91 N -5.34 3.09 -4.88 -3.80 3.41 -1.26 -0.76 113.62 104.08 3bjk n SER 91 Ca -0.11 -0.16 -0.32 0.00 -0.26 0.00 0.00 58.87 58.02 3bjk n SER 91 Cb 0.25 0.94 -0.05 0.00 -0.26 0.00 0.00 64.21 65.09 3bjk n SER 91 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3bjk s SER 92 N -1.56 6.61 -0.08 4.04 1.04 -1.26 0.06 113.70 122.55 3bjk s SER 92 Ca 0.00 0.91 -0.03 0.00 0.48 0.00 0.00 55.95 57.31 3bjk s SER 92 Cb 0.00 -2.22 0.04 0.00 0.10 0.00 0.00 66.02 63.94 3bjk s SER 92 CO 0.00 -0.09 0.08 -0.63 0.98 0.00 0.00 173.24 173.59 3bjk s ILE 93 N -1.84 -0.13 -0.21 -1.02 1.01 0.66 -0.54 121.20 119.12 3bjk s ILE 93 Ca 0.47 0.26 -0.09 0.00 0.00 0.00 0.00 60.65 61.30 3bjk s ILE 93 Cb -0.11 -0.28 -0.04 0.00 0.01 0.00 0.00 42.46 42.03 3bjk s ILE 93 CO 0.22 0.06 0.11 -0.75 0.00 0.00 0.00 174.94 174.58 3bjk s LYS 94 N 2.18 4.01 -0.06 2.79 2.20 -0.30 -0.79 119.74 129.77 3bjk s LYS 94 Ca 0.04 -0.31 -0.01 0.00 -0.36 0.00 0.00 55.97 55.33 3bjk s LYS 94 Cb -0.13 -3.38 0.03 0.00 -1.51 0.00 0.00 37.83 32.83 3bjk s LYS 94 CO -0.05 0.14 -0.00 0.42 -0.36 0.00 0.00 175.35 175.50 3bjk s ILE 95 N 0.77 0.35 -0.10 5.43 1.01 0.73 -0.41 121.20 129.00 3bjk s ILE 95 Ca 0.06 0.09 -0.28 0.00 0.00 0.00 0.00 60.65 60.52 3bjk s ILE 95 Cb -0.13 -0.48 -0.02 0.00 0.01 0.00 0.00 42.46 41.84 3bjk s ILE 95 CO 0.02 0.24 0.93 -0.75 0.00 0.00 0.00 174.94 175.37 3bjk s LYS 96 N 1.69 4.42 -0.15 2.79 2.20 -0.27 -0.47 119.74 129.94 3bjk s LYS 96 Ca 0.00 1.25 -0.00 0.00 -0.36 0.00 0.00 55.97 56.86 3bjk s LYS 96 Cb -0.13 -3.52 -0.01 0.00 -1.51 0.00 0.00 37.83 32.66 3bjk s LYS 96 CO -0.04 -0.23 -0.13 0.08 -0.36 0.00 0.00 175.35 174.67 3bjk s VAL 97 N 1.73 2.89 -0.09 4.02 1.01 -0.10 -1.00 120.40 128.86 3bjk s VAL 97 Ca 0.45 -0.70 0.02 0.00 0.00 0.00 0.00 61.98 61.76 3bjk s VAL 97 Cb -0.18 -2.23 -0.02 0.00 0.00 0.00 0.00 36.38 33.95 3bjk s VAL 97 CO 0.18 0.51 -0.16 -1.61 0.00 0.00 0.00 175.10 174.02 3bjk s GLU 98 N 0.70 2.97 -0.21 2.72 2.02 -0.45 -1.48 118.70 124.96 3bjk s GLU 98 Ca -0.06 -0.73 -0.08 0.00 0.02 0.00 0.00 54.97 54.11 3bjk s GLU 98 Cb -0.15 -2.46 -0.04 0.00 0.10 0.00 0.00 34.13 31.57 3bjk s GLU 98 CO 0.02 0.36 0.10 0.08 0.02 0.00 0.00 175.26 175.84 3bjk s VAL 99 N -0.06 4.93 0.05 2.63 1.01 0.34 -0.72 120.40 128.58 3bjk s VAL 99 Ca -0.03 0.02 0.09 0.00 0.00 0.00 0.00 61.98 62.06 3bjk s VAL 99 Cb -0.14 -3.26 -0.03 0.00 0.00 0.00 0.00 36.38 32.95 3bjk s VAL 99 CO 0.04 0.41 -0.25 0.26 0.00 0.00 0.00 175.10 175.56 3bjk s TRP 100 N 0.75 2.36 0.17 5.22 0.52 0.04 -0.34 118.94 127.65 3bjk s TRP 100 Ca 0.05 -0.39 0.07 0.00 0.02 0.00 0.00 56.10 55.85 3bjk s TRP 100 Cb -0.13 -1.39 -0.04 0.00 -1.15 0.00 0.00 33.47 30.76 3bjk s TRP 100 CO 0.02 0.16 0.03 0.14 0.02 0.00 0.00 176.95 177.32 3bjk s VAL 101 N -0.85 3.90 -0.05 4.03 -7.23 -0.29 -0.79 120.40 119.13 3bjk s VAL 101 Ca 0.12 -1.32 0.02 0.00 -1.81 0.00 0.00 61.98 58.99 3bjk s VAL 101 Cb -0.10 -2.96 0.01 0.00 0.56 0.00 0.00 36.38 33.89 3bjk s VAL 101 CO 0.03 -0.10 -0.10 -0.75 -0.31 0.00 0.00 175.10 173.87 3bjk s LYS 102 N -2.94 1.41 -0.30 4.82 2.20 -0.61 -2.06 119.74 122.26 3bjk s LYS 102 Ca 0.28 -0.34 -0.27 0.00 -0.36 0.00 0.00 55.97 55.28 3bjk s LYS 102 Cb -0.10 -1.22 0.01 0.00 -1.51 0.00 0.00 37.83 35.02 3bjk s LYS 102 CO 0.20 0.02 0.99 0.15 -0.36 0.00 0.00 175.35 176.35 3bjk s LYS 103 N 0.63 4.06 -0.01 4.03 -0.14 0.04 -1.52 119.74 126.83 3bjk s LYS 103 Ca -0.12 0.97 0.02 0.00 -1.36 0.00 0.00 55.97 55.48 3bjk s LYS 103 Cb -0.14 -3.72 -0.02 0.00 -1.68 0.00 0.00 37.83 32.26 3bjk s LYS 103 CO 0.02 -0.80 0.02 1.33 -0.76 0.00 0.00 175.35 175.16 3bjk n VAL 104 N 5.71 0.07 -1.84 3.17 0.24 -1.26 -0.04 118.33 124.38 3bjk n VAL 104 Ca 0.10 -0.06 0.03 0.00 -2.04 0.00 0.00 64.34 62.37 3bjk n VAL 104 Cb 0.47 -0.43 0.05 0.00 -1.47 0.00 0.00 33.84 32.47 3bjk n VAL 104 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3bjk n ALA 105 N -1.87 2.25 -2.83 2.33 0.00 -1.26 -4.88 120.51 114.25 3bjk n ALA 105 Ca -0.02 -1.79 -0.10 0.00 0.00 0.00 0.00 53.44 51.53 3bjk n ALA 105 Cb 0.36 -0.50 -0.08 0.00 0.00 0.00 0.00 19.45 19.23 3bjk n ALA 105 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3bjk s SER 106 N -1.78 0.03 0.36 0.00 1.04 -1.26 -5.10 113.70 106.98 3bjk s SER 106 Ca 0.16 -0.39 -0.25 0.00 0.48 0.00 0.00 55.95 55.95 3bjk s SER 106 Cb 0.16 0.31 -0.10 0.00 0.10 0.00 0.00 66.02 66.49 3bjk s SER 106 CO -0.03 -0.59 0.99 -1.61 0.98 0.00 0.00 173.24 172.98 3bjk s GLU 107 N -2.78 4.41 0.05 4.02 0.41 -1.26 -3.55 118.70 120.00 3bjk s GLU 107 Ca -0.03 1.41 -0.25 0.00 -0.41 0.00 0.00 54.97 55.68 3bjk s GLU 107 Cb -0.00 -2.68 -0.05 0.00 -1.78 0.00 0.00 34.13 29.61 3bjk s GLU 107 CO -0.05 0.10 0.79 -1.25 -0.49 0.00 0.00 175.26 174.36 3bjk s PRO 108 N -2.26 4.51 0.17 0.39 0.04 -1.26 -5.07 135.00 131.53 3bjk s PRO 108 Ca 0.53 1.10 -0.31 0.00 0.04 0.00 0.00 61.00 62.37 3bjk s PRO 108 Cb -0.20 -3.37 -0.09 0.00 0.04 0.00 0.00 34.50 30.88 3bjk s PRO 108 CO 0.25 0.26 1.43 0.42 0.04 0.00 0.00 177.00 179.40 3bjk s ILE 109 N -0.00 2.98 0.00 0.56 1.09 -1.23 -2.64 121.20 121.95 3bjk s ILE 109 Ca 0.40 0.75 0.00 0.00 -1.10 0.00 0.00 60.65 60.69 3bjk s ILE 109 Cb -0.21 -3.48 0.00 0.00 -1.06 0.00 0.00 42.46 37.72 3bjk s ILE 109 CO 0.24 0.08 0.00 0.61 -0.10 0.00 0.00 174.94 175.77 3bjk n GLY 110 N 3.03 2.39 3.68 6.18 0.00 0.95 -5.02 105.19 116.40 3bjk n GLY 110 Ca 0.10 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.67 3bjk n GLY 110 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3bjk n GLU 111 N -2.00 2.22 -4.39 1.61 2.13 -1.08 -4.72 120.64 114.40 3bjk n GLU 111 Ca 0.00 0.79 -0.19 0.00 0.66 0.00 0.00 57.16 58.42 3bjk n GLU 111 Cb 0.00 -2.52 -0.14 0.00 0.27 0.00 0.00 31.44 29.05 3bjk n GLU 111 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 3bjk s ARG 112 N 0.16 0.84 0.05 5.31 0.52 -1.26 -0.78 118.95 123.80 3bjk s ARG 112 Ca 0.72 -0.50 -0.27 0.00 -0.52 0.00 0.00 55.73 55.16 3bjk s ARG 112 Cb -0.63 -0.81 0.09 0.00 0.52 0.00 0.00 34.95 34.12 3bjk s ARG 112 CO 0.44 0.21 0.78 1.52 0.02 0.00 0.00 175.30 178.27 3bjk s TYR 113 N -0.48 -0.43 -0.06 -0.53 -0.85 -0.87 -5.00 117.35 109.13 3bjk s TYR 113 Ca 0.02 0.29 -0.24 0.00 -0.52 0.00 0.00 57.07 56.62 3bjk s TYR 113 Cb -0.05 0.54 -0.04 0.00 0.38 0.00 0.00 41.96 42.79 3bjk s TYR 113 CO 0.00 -0.66 0.71 0.00 -1.52 0.00 0.00 175.55 174.09 3bjk n VAL 115 N 3.70 0.16 -3.67 0.00 0.24 0.54 -4.61 118.33 114.68 3bjk n VAL 115 Ca -0.01 -0.24 -0.15 0.00 -2.04 0.00 0.00 64.34 61.90 3bjk n VAL 115 Cb 0.51 -0.01 -0.08 0.00 -1.47 0.00 0.00 33.84 32.80 3bjk n VAL 115 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 3bjk s THR 116 N -2.49 0.03 0.24 3.34 2.01 -1.17 0.46 115.64 118.06 3bjk s THR 116 Ca -0.03 -0.25 -0.07 0.00 0.31 0.00 0.00 61.69 61.65 3bjk s THR 116 Cb 0.05 -0.75 -0.02 0.00 0.01 0.00 0.00 72.50 71.79 3bjk s THR 116 CO 0.36 -0.13 0.34 1.51 -0.69 0.00 0.00 174.62 176.01 3bjk s ASP 117 N -1.04 0.16 -0.16 3.53 -4.77 -0.87 -0.50 116.67 113.02 3bjk s ASP 117 Ca -0.11 -1.19 -0.34 0.00 -3.30 0.00 0.00 52.55 47.61 3bjk s ASP 117 Cb -0.03 0.52 0.13 0.00 -1.09 0.00 0.00 42.92 42.45 3bjk s ASP 117 CO 0.06 -1.05 1.19 0.00 0.70 0.00 0.00 175.17 176.07 3bjk s ALA 118 N -3.94 -2.07 -0.21 2.11 0.00 -0.55 -1.08 121.76 116.02 3bjk s ALA 118 Ca 0.30 1.46 -0.03 0.00 0.00 0.00 0.00 51.96 53.70 3bjk s ALA 118 Cb 0.02 -0.03 -0.00 0.00 0.00 0.00 0.00 23.12 23.11 3bjk s ALA 118 CO 0.12 -0.65 -0.08 0.08 0.00 0.00 0.00 175.76 175.23 3bjk s VAL 119 N -2.47 3.05 -0.06 0.00 1.01 0.15 -0.92 120.40 121.16 3bjk s VAL 119 Ca 0.10 -0.60 -0.02 0.00 0.00 0.00 0.00 61.98 61.46 3bjk s VAL 119 Cb -0.00 -2.37 -0.04 0.00 0.00 0.00 0.00 36.38 33.97 3bjk s VAL 119 CO -0.05 0.45 0.04 -0.36 0.00 0.00 0.00 175.10 175.18 3bjk s PHE 120 N 1.41 3.24 -0.13 5.22 0.40 0.38 -0.55 117.98 127.96 3bjk s PHE 120 Ca 0.05 0.23 0.02 0.00 -0.60 0.00 0.00 56.93 56.63 3bjk s PHE 120 Cb -0.14 -1.78 -0.00 0.00 0.51 0.00 0.00 43.02 41.60 3bjk s PHE 120 CO -0.05 0.52 -0.19 0.99 0.70 0.00 0.00 175.22 177.19 3bjk s THR 121 N -1.00 2.41 0.16 0.64 2.01 0.01 -0.19 115.64 119.69 3bjk s THR 121 Ca 0.16 -0.88 0.09 0.00 0.31 0.00 0.00 61.69 61.38 3bjk s THR 121 Cb -0.12 -1.97 -0.04 0.00 0.01 0.00 0.00 72.50 70.38 3bjk s THR 121 CO 0.06 0.54 -0.14 -0.36 -0.69 0.00 0.00 174.62 174.03 3bjk s PHE 122 N 0.53 2.56 -0.10 4.92 0.40 0.03 -0.74 117.98 125.57 3bjk s PHE 122 Ca -0.12 -0.25 0.02 0.00 -0.60 0.00 0.00 56.93 55.98 3bjk s PHE 122 Cb -0.17 -1.29 0.01 0.00 0.51 0.00 0.00 43.02 42.08 3bjk s PHE 122 CO 0.04 0.47 -0.18 0.08 0.70 0.00 0.00 175.22 176.33 3bjk s VAL 123 N -1.50 1.66 0.10 -0.44 1.01 -0.29 -0.25 120.40 120.70 3bjk s VAL 123 Ca 0.22 -0.76 -0.31 0.00 0.00 0.00 0.00 61.98 61.13 3bjk s VAL 123 Cb -0.09 -1.48 -0.09 0.00 0.00 0.00 0.00 36.38 34.71 3bjk s VAL 123 CO 0.13 0.47 1.72 0.00 0.00 0.00 0.00 175.10 177.42 3bjk s ALA 124 N 0.76 3.73 0.17 5.51 0.00 0.11 -1.30 121.76 130.73 3bjk s ALA 124 Ca -0.11 1.32 0.06 0.00 0.00 0.00 0.00 51.96 53.23 3bjk s ALA 124 Cb -0.16 -3.72 -0.05 0.00 0.00 0.00 0.00 23.12 19.20 3bjk s ALA 124 CO 0.02 -1.13 -0.12 0.14 0.00 0.00 0.00 175.76 174.67 3bjk s VAL 125 N 2.58 1.37 0.26 0.00 -7.23 -0.61 -0.44 120.40 116.33 3bjk s VAL 125 Ca 0.77 -2.12 -0.02 0.00 -1.81 0.00 0.00 61.98 58.80 3bjk s VAL 125 Cb -0.43 -1.92 0.05 0.00 0.56 0.00 0.00 36.38 34.65 3bjk s VAL 125 CO 0.34 -0.69 0.35 -0.90 -0.31 0.00 0.00 175.10 173.89 3bjk n ASP 126 N -0.26 0.32 0.13 4.85 5.68 0.13 -4.26 116.55 123.13 3bjk n ASP 126 Ca -0.09 -1.30 0.12 0.00 -0.50 0.00 0.00 54.79 53.01 3bjk n ASP 126 Cb 0.61 -0.24 0.49 0.00 -1.14 0.00 0.00 41.12 40.83 3bjk n ASP 126 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 3bjk n ASN 127 N -3.06 0.67 -1.05 -1.12 3.02 -1.26 -2.02 115.26 110.44 3bjk n ASN 127 Ca 0.05 0.66 0.10 0.00 -0.03 0.00 0.00 54.58 55.37 3bjk n ASN 127 Cb 0.19 -0.81 0.27 0.00 -0.61 0.00 0.00 39.78 38.82 3bjk n ASN 127 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3bjk n ASN 128 N -2.24 3.09 -0.18 6.41 3.02 -1.26 -4.96 115.26 119.14 3bjk n ASN 128 Ca 0.02 -1.97 -0.02 0.00 -0.03 0.00 0.00 54.58 52.58 3bjk n ASN 128 Cb 0.23 -0.33 -0.01 0.00 -0.61 0.00 0.00 39.78 39.06 3bjk n ASN 128 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3bjk n GLY 129 N 1.43 0.57 3.86 7.41 0.00 -0.86 -5.03 105.19 112.57 3bjk n GLY 129 Ca 0.19 -0.55 -0.37 0.00 0.00 0.00 0.00 46.02 45.29 3bjk n GLY 129 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3bjk s ARG 130 N -1.56 3.70 0.53 1.61 0.52 -1.26 -4.80 118.95 117.69 3bjk s ARG 130 Ca 0.00 0.16 -0.22 0.00 -0.52 0.00 0.00 55.73 55.14 3bjk s ARG 130 Cb 0.00 -3.19 -0.06 0.00 0.52 0.00 0.00 34.95 32.22 3bjk s ARG 130 CO 0.00 0.72 1.34 -1.13 0.02 0.00 0.00 175.30 176.25 3bjk n SER 131 N 1.80 2.66 -4.21 0.23 3.41 -1.26 0.21 113.62 116.46 3bjk n SER 131 Ca -0.16 1.00 -0.12 0.00 -0.26 0.00 0.00 58.87 59.32 3bjk n SER 131 Cb 0.53 -1.57 -0.10 0.00 -0.26 0.00 0.00 64.21 62.82 3bjk n SER 131 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3bjk s ARG 132 N -2.78 0.99 -0.05 4.33 1.70 0.42 -4.73 118.95 118.83 3bjk s ARG 132 Ca 0.70 -1.44 -0.29 0.00 -0.47 0.00 0.00 55.73 54.22 3bjk s ARG 132 Cb -0.43 -0.25 -0.02 0.00 -0.57 0.00 0.00 34.95 33.68 3bjk s ARG 132 CO 0.51 -0.07 0.98 0.99 -1.08 0.00 0.00 175.30 176.62 3bjk s THR 133 N -3.63 4.84 -0.03 4.99 2.01 -1.26 -4.25 115.64 118.30 3bjk s THR 133 Ca 0.18 2.02 -0.30 0.00 0.31 0.00 0.00 61.69 63.91 3bjk s THR 133 Cb 0.06 -4.30 -0.07 0.00 0.01 0.00 0.00 72.50 68.19 3bjk s THR 133 CO 0.00 0.09 1.91 -0.63 -0.69 0.00 0.00 174.62 175.30 3bjk s ILE 134 N 1.48 3.18 0.18 1.82 1.01 0.06 -4.92 121.20 124.01 3bjk s ILE 134 Ca 0.50 0.21 -0.31 0.00 0.00 0.00 0.00 60.65 61.04 3bjk s ILE 134 Cb -0.20 -3.15 -0.10 0.00 0.01 0.00 0.00 42.46 39.03 3bjk s ILE 134 CO 0.23 -0.03 1.55 -2.16 0.00 0.00 0.00 174.94 174.52 3bjk s PRO 135 N 4.62 4.22 0.38 2.79 0.04 -1.26 -4.91 135.00 140.89 3bjk s PRO 135 Ca 0.86 2.36 0.23 0.00 0.04 0.00 0.00 61.00 64.48 3bjk s PRO 135 Cb -0.38 -3.15 0.27 0.00 0.04 0.00 0.00 34.50 31.28 3bjk s PRO 135 CO 0.38 -0.58 1.48 0.00 0.04 0.00 0.00 177.00 178.32 3bjk h ARG 136 N 6.50 0.00 -6.30 4.56 -0.00 -1.96 -3.43 114.38 113.75 3bjk h ARG 136 Ca -0.43 0.00 -0.54 0.00 -0.50 0.00 0.00 59.98 58.50 3bjk h ARG 136 Cb 1.21 0.00 -0.04 0.00 0.00 0.00 0.00 29.97 31.14 3bjk h ARG 136 CO 0.89 0.00 0.16 -1.83 0.00 0.00 0.00 179.97 179.19 3bjk s GLU 137 N -3.24 4.49 -1.36 0.04 1.03 -1.26 -4.19 118.70 114.21 3bjk s GLU 137 Ca 0.05 1.06 -0.01 0.00 0.03 0.00 0.00 54.97 56.11 3bjk s GLU 137 Cb 0.06 -3.36 0.01 0.00 -0.80 0.00 0.00 34.13 30.04 3bjk s GLU 137 CO 0.70 0.29 0.62 0.09 -1.33 0.00 0.00 175.26 175.62 3bjk n ASN 138 N 2.80 -1.06 -3.65 0.83 5.03 -1.26 -4.94 115.26 113.01 3bjk n ASN 138 Ca -0.02 -0.88 -0.29 0.00 0.87 0.00 0.00 54.58 54.25 3bjk n ASN 138 Cb 0.50 -3.70 -0.13 0.00 -1.02 0.00 0.00 39.78 35.44 3bjk n ASN 138 CO 0.00 0.00 0.00 0.21 -1.83 0.00 0.00 177.26 175.64 3bjk s ASN 139 N -4.30 3.49 0.19 6.41 3.84 -1.26 -4.97 114.94 118.33 3bjk s ASN 139 Ca 0.04 -2.52 0.26 0.00 0.21 0.00 0.00 52.86 50.85 3bjk s ASN 139 Cb -0.02 -0.88 0.71 0.00 -0.55 0.00 0.00 41.25 40.50 3bjk s ASN 139 CO 0.84 -0.28 1.67 0.00 -2.79 0.00 0.00 177.10 176.55 3bjk n GLN 140 N 3.66 0.27 -0.06 0.43 10.64 -1.26 -2.37 117.38 128.70 3bjk n GLN 140 Ca 0.09 0.19 -0.14 0.00 -1.83 0.00 0.00 57.00 55.31 3bjk n GLN 140 Cb 0.35 -1.78 -0.07 0.00 -0.86 0.00 0.00 30.24 27.89 3bjk n GLN 140 CO 0.00 0.00 0.00 0.93 -1.83 0.00 0.00 177.06 176.16 3bjk h GLU 141 N 0.00 0.48 -0.21 2.61 3.07 -1.92 -0.95 114.58 117.66 3bjk h GLU 141 Ca 0.00 -0.29 0.03 0.00 -0.50 0.00 0.00 59.36 58.60 3bjk h GLU 141 Cb 0.74 0.03 -0.03 0.00 -0.84 0.00 0.00 28.75 28.65 3bjk h GLU 141 CO 0.00 0.88 0.05 1.25 -1.40 0.00 0.00 179.01 179.79 3bjk h LEU 142 N 0.13 0.04 -0.40 1.33 5.85 -1.76 -1.70 115.31 118.78 3bjk h LEU 142 Ca 0.02 0.03 0.07 0.00 0.84 0.00 0.00 57.88 58.83 3bjk h LEU 142 Cb 0.83 0.03 -0.06 0.00 0.37 0.00 0.00 40.66 41.84 3bjk h LEU 142 CO 0.06 0.05 0.04 -0.08 -0.34 0.00 0.00 178.44 178.17 3bjk h GLU 143 N 0.14 0.15 -0.33 1.25 4.81 -1.44 0.14 114.58 119.31 3bjk h GLU 143 Ca 0.10 -0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.37 3bjk h GLU 143 Cb 0.08 -0.03 -0.05 0.00 0.63 0.00 0.00 28.75 29.38 3bjk h GLU 143 CO -0.12 0.10 0.04 -0.22 -0.73 0.00 0.00 179.01 178.08 3bjk h LYS 144 N 0.16 0.14 -0.51 1.92 3.64 -1.03 -1.08 116.57 119.80 3bjk h LYS 144 Ca 0.20 -0.01 -0.09 0.00 -1.27 0.00 0.00 60.65 59.48 3bjk h LYS 144 Cb 0.26 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.03 3bjk h LYS 144 CO -0.29 0.09 -0.01 0.00 -2.27 0.00 0.00 179.45 176.97 3bjk h ALA 145 N 1.26 0.69 0.00 5.00 0.00 -0.66 -2.74 119.26 122.81 3bjk h ALA 145 Ca 0.16 -0.30 -0.08 0.00 0.00 0.00 0.00 54.91 54.69 3bjk h ALA 145 Cb 0.19 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3bjk h ALA 145 CO -0.23 0.52 -0.38 -0.07 0.00 0.00 0.00 179.25 179.09 3bjk h LEU 146 N 0.78 0.00 -0.06 0.00 3.38 -0.87 -1.98 115.31 116.56 3bjk h LEU 146 Ca 0.14 0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.13 3bjk h LEU 146 Cb 0.54 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.27 3bjk h LEU 146 CO 0.03 0.38 -0.05 0.00 0.09 0.00 0.00 178.44 178.88 3bjk h ALA 147 N 1.62 -0.00 -0.35 1.53 0.00 -0.91 -0.61 119.26 120.53 3bjk h ALA 147 Ca -0.00 0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.80 3bjk h ALA 147 Cb 0.71 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 3bjk h ALA 147 CO 0.05 -0.53 -0.32 -0.07 0.00 0.00 0.00 179.25 178.39 3bjk h LEU 148 N -0.07 0.81 -0.92 0.00 3.38 -1.25 -2.68 115.31 114.58 3bjk h LEU 148 Ca 0.05 -0.33 0.01 0.00 0.09 0.00 0.00 57.88 57.69 3bjk h LEU 148 Cb 0.13 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 40.61 3bjk h LEU 148 CO -0.10 1.06 0.61 0.40 0.09 0.00 0.00 178.44 180.49 3bjk h ILE 149 N 0.65 1.24 -1.02 1.22 2.04 -1.27 -2.03 117.51 118.35 3bjk h ILE 149 Ca 0.07 -0.43 0.25 0.00 1.00 0.00 0.00 64.86 65.76 3bjk h ILE 149 Cb 0.85 -0.12 -0.12 0.00 -0.74 0.00 0.00 36.82 36.70 3bjk h ILE 149 CO 0.07 0.23 0.61 -1.28 0.00 0.00 0.00 178.15 177.79 3bjk h SER 150 N 1.24 0.62 -0.09 1.72 0.87 -0.75 -2.12 113.55 115.03 3bjk h SER 150 Ca 0.34 0.13 -0.09 0.00 -1.23 0.00 0.00 61.79 60.93 3bjk h SER 150 Cb -0.14 0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 61.83 3bjk h SER 150 CO -0.07 0.10 -0.23 -0.33 -0.53 0.00 0.00 176.83 175.76 3bjk h GLU 151 N 0.53 0.52 0.00 2.24 5.08 -1.32 -3.52 114.58 118.12 3bjk h GLU 151 Ca 0.64 -0.19 0.00 0.00 -1.00 0.00 0.00 59.36 58.81 3bjk h GLU 151 Cb 1.31 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.52 3bjk h GLU 151 CO -0.44 0.72 0.00 1.04 -1.00 0.00 0.00 179.01 179.33