#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bjk s LYS 14 N 0.00 3.63 0.00 1.43 2.20 -1.26 -4.95 119.74 120.79 3bjk s LYS 14 Ca 0.00 -0.54 0.00 0.00 -0.36 0.00 0.00 55.97 55.07 3bjk s LYS 14 Cb 0.00 -2.88 0.00 0.00 -1.51 0.00 0.00 37.83 33.44 3bjk s LYS 14 CO 0.00 0.23 0.00 0.41 -0.36 0.00 0.00 175.35 175.63 3bjk n GLY 15 N 3.55 -1.73 3.88 5.54 0.00 -1.26 -4.15 105.19 111.02 3bjk n GLY 15 Ca -0.17 -2.04 -0.33 0.00 0.00 0.00 0.00 46.02 43.48 3bjk n GLY 15 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3bjk s VAL 16 N 0.00 5.10 -0.07 1.61 0.11 -0.28 -4.73 120.40 122.14 3bjk s VAL 16 Ca 0.00 0.28 -0.30 0.00 -2.93 0.00 0.00 61.98 59.03 3bjk s VAL 16 Cb 0.00 -3.63 -0.04 0.00 -1.53 0.00 0.00 36.38 31.18 3bjk s VAL 16 CO 0.00 0.13 1.47 -0.22 -3.33 0.00 0.00 175.10 173.16 3bjk s LEU 17 N -2.35 4.28 -0.27 2.54 2.96 -1.26 -0.49 118.68 124.10 3bjk s LEU 17 Ca 0.38 2.05 -0.05 0.00 -0.22 0.00 0.00 54.13 56.29 3bjk s LEU 17 Cb -0.13 -3.54 -0.15 0.00 0.50 0.00 0.00 46.19 42.87 3bjk s LEU 17 CO 0.21 -0.82 -0.28 0.18 -1.32 0.00 0.00 176.35 174.32 3bjk n LEU 18 N 6.49 2.55 -3.76 -0.68 4.77 0.13 -4.94 117.00 121.56 3bjk n LEU 18 Ca 0.15 0.06 -0.13 0.00 -0.03 0.00 0.00 56.01 56.06 3bjk n LEU 18 Cb 0.44 -0.87 -0.09 0.00 -2.33 0.00 0.00 43.42 40.56 3bjk n LEU 18 CO 0.59 0.79 0.02 -0.76 -1.33 0.00 0.00 177.39 176.70 3bjk s LEU 19 N -6.94 0.84 -0.14 2.23 1.43 -1.02 -4.90 118.68 110.18 3bjk s LEU 19 Ca -0.37 0.17 -0.07 0.00 -1.03 0.00 0.00 54.13 52.84 3bjk s LEU 19 Cb 0.11 1.24 0.06 0.00 0.03 0.00 0.00 46.19 47.63 3bjk s LEU 19 CO 0.55 -0.40 0.32 -0.60 0.23 0.00 0.00 176.35 176.46 3bjk s ARG 20 N -1.10 0.28 0.37 1.70 3.52 -1.26 -0.91 118.95 121.55 3bjk s ARG 20 Ca -0.12 0.68 -0.10 0.00 -0.13 0.00 0.00 55.73 56.06 3bjk s ARG 20 Cb -0.05 -0.05 0.03 0.00 -1.56 0.00 0.00 34.95 33.32 3bjk s ARG 20 CO 0.04 -0.18 0.66 -0.08 -0.81 0.00 0.00 175.30 174.93 3bjk s THR 21 N 1.49 0.00 -0.12 4.11 -1.32 0.11 -5.00 115.64 114.90 3bjk s THR 21 Ca -0.08 -1.25 -0.03 0.00 -1.21 0.00 0.00 61.69 59.12 3bjk s THR 21 Cb -0.10 -2.78 -0.03 0.00 -1.51 0.00 0.00 72.50 68.08 3bjk s THR 21 CO -0.10 0.00 -0.02 -0.22 -2.21 0.00 0.00 174.62 172.07 3bjk s LEU 22 N -3.14 3.40 -0.01 9.08 2.96 -1.26 -0.01 118.68 129.70 3bjk s LEU 22 Ca 0.22 -0.00 -0.30 0.00 -0.22 0.00 0.00 54.13 53.83 3bjk s LEU 22 Cb -0.03 -1.80 -0.05 0.00 0.50 0.00 0.00 46.19 44.82 3bjk s LEU 22 CO 0.15 0.27 1.26 0.00 -1.32 0.00 0.00 176.35 176.71 3bjk s ALA 23 N -0.24 3.49 0.17 5.97 0.00 -0.50 -4.93 121.76 125.73 3bjk s ALA 23 Ca 0.05 0.76 0.11 0.00 0.00 0.00 0.00 51.96 52.88 3bjk s ALA 23 Cb -0.13 -3.52 -0.04 0.00 0.00 0.00 0.00 23.12 19.43 3bjk s ALA 23 CO 0.02 -0.71 -0.23 -1.64 0.00 0.00 0.00 175.76 173.20 3bjk s MET 24 N 1.93 1.57 0.34 0.00 1.00 -1.26 -0.11 119.30 122.77 3bjk s MET 24 Ca 0.59 -1.44 0.09 0.00 0.00 0.00 0.00 55.69 54.93 3bjk s MET 24 Cb -0.28 -1.91 0.82 0.00 0.00 0.00 0.00 34.83 33.47 3bjk s MET 24 CO 0.25 0.42 1.81 -1.35 0.00 0.00 0.00 175.02 176.15 3bjk h PRO 25 N 3.34 0.66 0.00 2.03 0.11 -1.97 -1.90 132.00 134.27 3bjk h PRO 25 Ca -0.48 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.59 3bjk h PRO 25 Cb 1.20 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.16 3bjk h PRO 25 CO 0.47 0.44 0.00 0.66 -0.21 0.00 0.00 178.00 179.36 3bjk h SER 26 N 0.68 0.00 -0.69 -2.05 4.64 -2.02 -2.41 113.55 111.71 3bjk h SER 26 Ca 0.53 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.70 3bjk h SER 26 Cb 0.92 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 62.92 3bjk h SER 26 CO -0.30 0.00 0.19 0.47 -0.87 0.00 0.00 176.83 176.32 3bjk n ASP 27 N -2.90 5.14 -4.89 4.97 8.00 -0.71 -4.99 116.55 121.16 3bjk n ASP 27 Ca -0.01 -3.14 -0.29 0.00 0.71 0.00 0.00 54.79 52.07 3bjk n ASP 27 Cb 0.18 -0.73 -0.01 0.00 -0.02 0.00 0.00 41.12 40.54 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 -2.93 4.85 0.40 -3.53 -4.23 -0.91 -0.78 115.64 108.51 3bjk s THR 28 Ca 0.55 0.40 0.06 0.00 -1.18 0.00 0.00 61.69 61.52 3bjk s THR 28 Cb 0.44 -3.81 0.07 0.00 1.34 0.00 0.00 72.50 70.53 3bjk s THR 28 CO 0.14 -0.73 0.55 -0.46 -0.54 0.00 0.00 174.62 173.58 3bjk n ASN 29 N -1.90 1.36 0.24 3.99 0.23 0.65 -4.53 115.26 115.30 3bjk n ASN 29 Ca 0.02 -2.00 0.07 0.00 -0.53 0.00 0.00 54.58 52.13 3bjk n ASN 29 Cb 0.55 -0.30 0.59 0.00 -2.08 0.00 0.00 39.78 38.53 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 0.15 1.89 0.00 -2.53 0.00 -2.00 -0.10 119.26 116.67 3bjk h ALA 30 Ca -0.19 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.67 3bjk h ALA 30 Cb 0.83 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.61 3bjk h ALA 30 CO 0.26 0.08 0.00 0.09 0.00 0.00 0.00 179.25 179.68 3bjk n ASN 31 N -4.47 0.21 0.00 0.00 3.02 -1.26 -4.90 115.26 107.86 3bjk n ASN 31 Ca -0.03 0.53 0.00 0.00 -0.03 0.00 0.00 54.58 55.06 3bjk n ASN 31 Cb 0.14 -0.58 0.00 0.00 -0.61 0.00 0.00 39.78 38.72 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 0.80 0.72 3.95 7.41 0.00 -0.05 -5.07 105.19 112.96 3bjk n GLY 32 Ca 0.05 0.00 -0.25 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 -2.83 4.56 0.16 1.61 1.01 -1.26 -4.59 116.67 115.32 3bjk s ASP 33 Ca 0.00 0.14 -0.30 0.00 0.71 0.00 0.00 52.55 53.10 3bjk s ASP 33 Cb 0.00 -0.68 -0.07 0.00 1.01 0.00 0.00 42.92 43.18 3bjk s ASP 33 CO 0.00 -1.73 1.08 -0.63 0.21 0.00 0.00 175.17 174.10 3bjk s ILE 34 N -3.22 3.99 0.27 0.77 -1.09 0.05 -0.26 121.20 121.71 3bjk s ILE 34 Ca 0.63 1.69 -0.30 0.00 -2.23 0.00 0.00 60.65 60.44 3bjk s ILE 34 Cb -0.08 -4.08 -0.11 0.00 -1.58 0.00 0.00 42.46 36.61 3bjk s ILE 34 CO 0.45 0.28 1.50 0.12 -1.23 0.00 0.00 174.94 176.05 3bjk s PHE 35 N -0.13 2.92 0.33 3.97 5.36 0.04 -4.68 117.98 125.79 3bjk s PHE 35 Ca 0.49 0.93 0.07 0.00 -0.96 0.00 0.00 56.93 57.46 3bjk s PHE 35 Cb -0.28 -3.91 0.74 0.00 -0.34 0.00 0.00 43.02 39.23 3bjk s PHE 35 CO 0.34 -3.02 1.85 0.78 -1.46 0.00 0.00 175.22 173.70 3bjk h GLY 36 N 4.97 1.39 0.81 13.12 0.00 -1.92 -2.33 103.07 119.09 3bjk h GLY 36 Ca -0.46 -0.34 0.06 0.00 0.00 0.00 0.00 47.33 46.59 3bjk h GLY 36 CO 0.78 0.09 0.63 -1.33 0.00 0.00 0.00 176.54 176.72 3bjk h GLY 37 N 0.78 1.46 0.92 4.60 0.00 -1.97 -1.30 103.07 107.56 3bjk h GLY 37 Ca 0.48 -0.46 -0.04 0.00 0.00 0.00 0.00 47.33 47.31 3bjk h GLY 37 CO -0.24 0.35 0.09 -0.25 0.00 0.00 0.00 176.54 176.49 3bjk h TRP 38 N 1.16 0.61 -0.38 5.60 7.01 -1.77 -0.12 115.95 128.07 3bjk h TRP 38 Ca 0.41 -0.07 -0.04 0.00 2.11 0.00 0.00 58.89 61.30 3bjk h TRP 38 Cb 0.14 -0.17 -0.02 0.00 -2.10 0.00 0.00 29.16 27.01 3bjk h TRP 38 CO -0.00 0.61 0.08 0.82 -2.79 0.00 0.00 178.44 177.16 3bjk h ILE 39 N 0.44 1.23 -0.80 2.65 2.04 -1.40 0.60 117.51 122.28 3bjk h ILE 39 Ca 0.12 -0.80 0.05 0.00 1.00 0.00 0.00 64.86 65.23 3bjk h ILE 39 Cb 0.30 1.03 -0.06 0.00 -0.74 0.00 0.00 36.82 37.35 3bjk h ILE 39 CO 0.00 0.27 0.49 0.24 0.00 0.00 0.00 178.15 179.15 3bjk h MET 40 N 0.47 0.88 -0.38 2.37 2.86 -1.18 -1.29 114.93 118.66 3bjk h MET 40 Ca 0.12 -0.05 -0.05 0.00 -2.06 0.00 0.00 59.70 57.66 3bjk h MET 40 Cb 0.32 -0.20 -0.02 0.00 0.06 0.00 0.00 31.60 31.77 3bjk h MET 40 CO 0.00 0.58 0.06 0.77 1.06 0.00 0.00 176.91 179.39 3bjk h SER 41 N 0.90 0.61 -0.23 1.22 0.02 -0.23 -1.46 113.55 114.39 3bjk h SER 41 Ca 0.34 -0.26 0.03 0.00 -0.84 0.00 0.00 61.79 61.07 3bjk h SER 41 Cb 0.14 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 62.48 3bjk h SER 41 CO -0.16 0.71 0.03 1.56 -1.14 0.00 0.00 176.83 177.83 3bjk h GLN 42 N 0.48 0.11 -0.81 3.45 1.08 -0.63 -1.70 115.11 117.08 3bjk h GLN 42 Ca 0.12 -0.01 0.09 0.00 -1.45 0.00 0.00 58.65 57.41 3bjk h GLN 42 Cb 0.36 -0.02 -0.07 0.00 -0.05 0.00 0.00 27.48 27.70 3bjk h GLN 42 CO 0.01 0.07 0.46 0.52 -0.95 0.00 0.00 178.83 178.94 3bjk h MET 43 N 0.11 0.75 -0.19 1.46 2.86 -1.04 -0.36 114.93 118.52 3bjk h MET 43 Ca 0.11 -0.05 -0.13 0.00 -2.06 0.00 0.00 59.70 57.57 3bjk h MET 43 Cb 0.12 -0.17 0.00 0.00 0.06 0.00 0.00 31.60 31.61 3bjk h MET 43 CO -0.16 0.50 -0.40 0.00 1.06 0.00 0.00 176.91 177.91 3bjk h ALA 44 N 1.45 0.30 -0.51 6.32 0.00 -1.09 -0.76 119.26 124.97 3bjk h ALA 44 Ca 0.39 -0.46 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 3bjk h ALA 44 Cb 0.37 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 3bjk h ALA 44 CO -0.25 0.40 0.29 1.98 0.00 0.00 0.00 179.25 181.68 3bjk h MET 45 N 0.27 0.71 -0.17 0.00 -1.53 -1.07 -0.75 114.93 112.40 3bjk h MET 45 Ca 0.00 -0.08 -0.05 0.00 -3.44 0.00 0.00 59.70 56.14 3bjk h MET 45 Cb 1.01 -0.14 -0.00 0.00 -0.55 0.00 0.00 31.60 31.91 3bjk h MET 45 CO 0.09 0.54 -0.09 0.78 0.14 0.00 0.00 176.91 178.37 3bjk h GLY 46 N 0.69 0.38 0.78 1.39 0.00 -1.01 -2.11 103.07 103.19 3bjk h GLY 46 Ca 0.18 -0.35 0.04 0.00 0.00 0.00 0.00 47.33 47.21 3bjk h GLY 46 CO -0.03 0.32 0.33 -1.33 0.00 0.00 0.00 176.54 175.83 3bjk h GLY 47 N 0.03 0.84 1.60 4.60 0.00 -1.12 -2.26 103.07 106.76 3bjk h GLY 47 Ca 0.04 -0.24 -0.06 0.00 0.00 0.00 0.00 47.33 47.06 3bjk h GLY 47 CO 0.03 0.17 -0.09 0.00 0.00 0.00 0.00 176.54 176.65 3bjk h ALA 48 N 1.29 1.30 -0.35 3.60 0.00 -1.07 -1.01 119.26 123.02 3bjk h ALA 48 Ca 0.25 -0.25 0.03 0.00 0.00 0.00 0.00 54.91 54.94 3bjk h ALA 48 Cb 0.10 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 3bjk h ALA 48 CO -0.14 0.47 0.16 0.82 0.00 0.00 0.00 179.25 180.56 3bjk h ILE 49 N 0.45 0.96 -0.42 0.00 2.04 -0.79 0.11 117.51 119.86 3bjk h ILE 49 Ca 0.09 -0.11 -0.12 0.00 1.00 0.00 0.00 64.86 65.71 3bjk h ILE 49 Cb 0.44 0.60 -0.01 0.00 -0.74 0.00 0.00 36.82 37.11 3bjk h ILE 49 CO 0.02 0.06 -0.23 0.25 0.00 0.00 0.00 178.15 178.26 3bjk h LEU 50 N 0.33 0.88 -0.59 1.44 5.85 -1.27 0.03 115.31 121.98 3bjk h LEU 50 Ca 0.15 -0.33 -0.02 0.00 0.84 0.00 0.00 57.88 58.53 3bjk h LEU 50 Cb 0.08 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 40.84 3bjk h LEU 50 CO -0.12 1.07 0.30 0.00 -0.34 0.00 0.00 178.44 179.35 3bjk h ALA 51 N 0.99 0.76 -0.83 1.25 0.00 -0.89 -1.09 119.26 119.45 3bjk h ALA 51 Ca 0.10 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 3bjk h ALA 51 Cb 0.77 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.29 3bjk h ALA 51 CO 0.06 0.30 0.42 0.87 0.00 0.00 0.00 179.25 180.90 3bjk h LYS 52 N 0.80 1.17 0.22 0.00 1.57 -0.19 0.10 116.57 120.24 3bjk h LYS 52 Ca 0.21 -0.16 -0.01 0.00 -1.87 0.00 0.00 60.65 58.82 3bjk h LYS 52 Cb 0.08 -0.22 -0.00 0.00 0.08 0.00 0.00 32.23 32.17 3bjk h LYS 52 CO -0.03 0.88 -0.13 0.93 -0.57 0.00 0.00 179.45 180.53 3bjk h GLU 53 N 1.17 -0.33 -0.59 3.15 5.08 -0.80 -1.08 114.58 121.18 3bjk h GLU 53 Ca 0.29 0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.67 3bjk h GLU 53 Cb 0.08 0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.38 3bjk h GLU 53 CO -0.04 -0.22 0.39 0.82 -1.00 0.00 0.00 179.01 178.96 3bjk h ILE 54 N -0.34 1.15 0.00 3.13 2.04 -1.04 -2.88 117.51 119.58 3bjk h ILE 54 Ca -0.02 -0.28 0.00 0.00 1.00 0.00 0.00 64.86 65.56 3bjk h ILE 54 Cb 0.28 0.29 0.00 0.00 -0.74 0.00 0.00 36.82 36.65 3bjk h ILE 54 CO 0.03 0.15 0.00 0.00 0.00 0.00 0.00 178.15 178.32 3bjk n ALA 55 N -2.26 2.31 -3.58 1.87 0.00 0.34 -4.58 120.51 114.60 3bjk n ALA 55 Ca 0.04 -0.11 -0.26 0.00 0.00 0.00 0.00 53.44 53.11 3bjk n ALA 55 Cb 0.02 -1.45 0.04 0.00 0.00 0.00 0.00 19.45 18.06 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 -1.42 -2.32 -1.28 0.00 8.25 -0.47 -4.62 115.22 113.36 3bjk n HIS 56 Ca 0.09 0.80 0.00 0.00 -0.26 0.00 0.00 57.72 58.35 3bjk n HIS 56 Cb 0.29 -4.21 0.00 0.00 1.12 0.00 0.00 29.99 27.19 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 -1.67 -0.44 3.76 -1.41 0.00 -0.82 -5.05 105.19 99.56 3bjk n GLY 57 Ca -0.00 -0.92 -0.39 0.00 0.00 0.00 0.00 46.02 44.70 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 -2.00 3.37 0.17 1.61 0.52 -1.26 -4.47 118.95 116.90 3bjk s ARG 58 Ca 0.00 2.28 0.01 0.00 -0.52 0.00 0.00 55.73 57.50 3bjk s ARG 58 Cb 0.00 -2.42 -0.04 0.00 0.52 0.00 0.00 34.95 33.01 3bjk s ARG 58 CO 0.00 -1.02 0.04 0.14 0.02 0.00 0.00 175.30 174.48 3bjk s VAL 59 N -1.27 0.44 0.15 3.52 -7.23 -1.26 -1.30 120.40 113.44 3bjk s VAL 59 Ca 0.67 -1.96 0.10 0.00 -1.81 0.00 0.00 61.98 58.98 3bjk s VAL 59 Cb -0.41 -2.19 -0.04 0.00 0.56 0.00 0.00 36.38 34.30 3bjk s VAL 59 CO 0.50 -0.38 -0.23 0.68 -0.31 0.00 0.00 175.10 175.37 3bjk s VAL 60 N -3.83 2.07 -0.26 1.32 -7.23 0.25 -4.85 120.40 107.87 3bjk s VAL 60 Ca 0.27 -1.83 -0.16 0.00 -1.81 0.00 0.00 61.98 58.45 3bjk s VAL 60 Cb 0.07 -1.90 -0.03 0.00 0.56 0.00 0.00 36.38 35.07 3bjk s VAL 60 CO 0.05 -0.10 0.42 -0.89 -0.31 0.00 0.00 175.10 174.28 3bjk s THR 61 N -1.50 5.14 -0.03 5.32 2.01 -1.26 -1.13 115.64 124.19 3bjk s THR 61 Ca 0.15 0.69 0.03 0.00 0.31 0.00 0.00 61.69 62.87 3bjk s THR 61 Cb -0.08 -3.75 -0.04 0.00 0.01 0.00 0.00 72.50 68.64 3bjk s THR 61 CO 0.07 0.15 0.01 1.33 -0.69 0.00 0.00 174.62 175.49 3bjk n VAL 62 N 5.03 0.22 -3.55 3.82 0.24 -0.28 -5.01 118.33 118.80 3bjk n VAL 62 Ca -0.07 -0.14 -0.12 0.00 -2.04 0.00 0.00 64.34 61.98 3bjk n VAL 62 Cb 0.50 -0.89 -0.04 0.00 -1.47 0.00 0.00 33.84 31.95 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 -2.08 -1.24 0.01 2.33 0.00 -1.08 -5.00 121.76 114.70 3bjk s ALA 63 Ca -0.02 0.28 0.04 0.00 0.00 0.00 0.00 51.96 52.26 3bjk s ALA 63 Cb 0.01 0.69 -0.01 0.00 0.00 0.00 0.00 23.12 23.80 3bjk s ALA 63 CO 0.13 -0.65 -0.12 0.08 0.00 0.00 0.00 175.76 175.20 3bjk s VAL 64 N -3.47 0.97 0.02 0.00 1.01 -1.26 -0.88 120.40 116.79 3bjk s VAL 64 Ca 0.00 -0.72 0.01 0.00 0.00 0.00 0.00 61.98 61.28 3bjk s VAL 64 Cb 0.00 -0.85 -0.02 0.00 0.00 0.00 0.00 36.38 35.51 3bjk s VAL 64 CO -0.10 0.13 -0.05 -1.61 0.00 0.00 0.00 175.10 173.47 3bjk s GLU 65 N -0.67 0.38 -1.30 2.72 2.02 0.50 -4.96 118.70 117.40 3bjk s GLU 65 Ca 0.03 -0.54 -0.01 0.00 0.02 0.00 0.00 54.97 54.47 3bjk s GLU 65 Cb -0.06 -0.15 -0.00 0.00 0.10 0.00 0.00 34.13 34.02 3bjk s GLU 65 CO 0.00 0.02 0.68 0.43 0.02 0.00 0.00 175.26 176.41 3bjk n SER 66 N 1.92 -1.41 -4.71 -0.19 7.64 -1.26 -0.70 113.62 114.91 3bjk n SER 66 Ca -0.20 -0.85 -0.41 0.00 1.01 0.00 0.00 58.87 58.41 3bjk n SER 66 Cb 0.56 -3.94 -0.03 0.00 -1.01 0.00 0.00 64.21 59.79 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 -6.00 4.52 -0.11 1.43 1.75 -1.26 -4.04 119.30 115.60 3bjk s MET 67 Ca 0.04 1.28 0.02 0.00 -1.25 0.00 0.00 55.69 55.78 3bjk s MET 67 Cb -0.01 -3.46 0.01 0.00 2.84 0.00 0.00 34.83 34.21 3bjk s MET 67 CO 0.82 -0.04 -0.15 -0.80 -0.65 0.00 0.00 175.02 174.20 3bjk s ASN 68 N 0.96 2.42 -0.45 1.11 0.01 0.35 -4.99 114.94 114.37 3bjk s ASN 68 Ca 0.48 -0.42 -0.16 0.00 -0.71 0.00 0.00 52.86 52.05 3bjk s ASN 68 Cb -0.20 -1.08 0.05 0.00 0.41 0.00 0.00 41.25 40.43 3bjk s ASN 68 CO 0.25 0.02 0.39 -0.36 -1.51 0.00 0.00 177.10 175.88 3bjk s PHE 69 N 0.97 3.22 -0.22 2.20 0.08 -1.26 -1.74 117.98 121.23 3bjk s PHE 69 Ca -0.07 -0.72 -0.20 0.00 0.12 0.00 0.00 56.93 56.06 3bjk s PHE 69 Cb -0.15 -2.97 -0.17 0.00 -0.57 0.00 0.00 43.02 39.16 3bjk s PHE 69 CO -0.01 -0.73 0.09 -0.89 -0.10 0.00 0.00 175.22 173.58 3bjk n ILE 70 N 5.24 1.53 -4.02 0.64 5.41 0.12 -5.00 119.36 123.29 3bjk n ILE 70 Ca -0.11 -0.08 -0.08 0.00 1.00 0.00 0.00 62.75 63.48 3bjk n ILE 70 Cb 0.45 -2.03 -0.10 0.00 -0.71 0.00 0.00 39.64 37.25 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 -2.39 0.50 0.47 0.38 1.02 -0.69 -5.04 119.74 113.99 3bjk s LYS 71 Ca -0.30 -0.90 -0.21 0.00 0.02 0.00 0.00 55.97 54.57 3bjk s LYS 71 Cb 0.07 0.18 -0.08 0.00 -0.52 0.00 0.00 37.83 37.48 3bjk s LYS 71 CO 0.56 -0.10 1.06 -1.25 -0.92 0.00 0.00 175.35 174.70 3bjk s PRO 72 N -2.75 3.85 0.02 -1.68 0.04 -1.26 -4.70 135.00 128.52 3bjk s PRO 72 Ca -0.04 1.45 -0.13 0.00 0.04 0.00 0.00 61.00 62.31 3bjk s PRO 72 Cb -0.00 -2.22 -0.06 0.00 0.04 0.00 0.00 34.50 32.26 3bjk s PRO 72 CO -0.06 -0.40 0.40 0.42 0.04 0.00 0.00 177.00 177.41 3bjk s ILE 73 N -1.85 5.05 0.04 0.56 1.01 -1.26 -5.00 121.20 119.74 3bjk s ILE 73 Ca 0.65 0.74 0.02 0.00 0.00 0.00 0.00 60.65 62.05 3bjk s ILE 73 Cb -0.19 -3.69 -0.04 0.00 0.01 0.00 0.00 42.46 38.55 3bjk s ILE 73 CO 0.23 0.50 0.06 -0.44 0.00 0.00 0.00 174.94 175.30 3bjk s SER 74 N -1.25 5.50 0.15 3.58 0.01 -1.26 -0.77 113.70 119.66 3bjk s SER 74 Ca 0.26 0.04 -0.34 0.00 1.31 0.00 0.00 55.95 57.22 3bjk s SER 74 Cb -0.16 -1.51 -0.15 0.00 0.21 0.00 0.00 66.02 64.41 3bjk s SER 74 CO 0.14 0.23 1.39 0.52 0.41 0.00 0.00 173.24 175.93 3bjk n VAL 75 N 0.87 0.31 0.00 3.43 0.31 -1.26 -1.86 118.33 120.12 3bjk n VAL 75 Ca -0.11 -0.08 0.00 0.00 -0.01 0.00 0.00 64.34 64.14 3bjk n VAL 75 Cb 0.52 -1.13 0.00 0.00 -0.91 0.00 0.00 33.84 32.32 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 2.63 1.61 3.77 2.92 0.00 0.85 -5.00 105.19 111.96 3bjk n GLY 76 Ca 0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.36 6.04 -0.03 1.61 1.01 -0.78 -4.71 116.67 117.45 3bjk s ASP 77 Ca 0.00 2.75 -0.30 0.00 0.71 0.00 0.00 52.55 55.71 3bjk s ASP 77 Cb 0.00 -2.64 -0.03 0.00 1.01 0.00 0.00 42.92 41.26 3bjk s ASP 77 CO 0.00 -1.05 0.98 -0.69 0.21 0.00 0.00 175.17 174.62 3bjk s VAL 78 N -1.26 4.85 -0.19 -1.27 1.01 -0.49 -1.41 120.40 121.65 3bjk s VAL 78 Ca 0.60 2.05 -0.03 0.00 0.00 0.00 0.00 61.98 64.60 3bjk s VAL 78 Cb -0.40 -4.32 -0.01 0.00 0.00 0.00 0.00 36.38 31.65 3bjk s VAL 78 CO 0.51 0.12 -0.07 -0.69 0.00 0.00 0.00 175.10 174.97 3bjk s VAL 79 N 1.26 3.28 -0.05 2.92 1.01 0.98 -1.20 120.40 128.61 3bjk s VAL 79 Ca 0.51 -0.54 0.06 0.00 0.00 0.00 0.00 61.98 62.01 3bjk s VAL 79 Cb -0.20 -2.45 -0.01 0.00 0.00 0.00 0.00 36.38 33.71 3bjk s VAL 79 CO 0.25 0.46 -0.25 0.00 0.00 0.00 0.00 175.10 175.57 3bjk s TYR 82 N 0.23 2.64 -0.07 0.00 2.02 -0.05 0.20 117.35 122.33 3bjk s TYR 82 Ca -0.07 -0.20 0.03 0.00 -0.37 0.00 0.00 57.07 56.47 3bjk s TYR 82 Cb -0.15 -1.50 0.00 0.00 -0.40 0.00 0.00 41.96 39.91 3bjk s TYR 82 CO 0.04 0.28 -0.18 0.20 -1.57 0.00 0.00 175.55 174.33 3bjk s GLY 83 N -1.43 1.03 -0.24 0.71 0.00 0.36 -1.30 107.32 106.46 3bjk s GLY 83 Ca 0.15 -0.69 0.03 0.00 0.00 0.00 0.00 44.72 44.21 3bjk s GLY 83 CO 0.06 -0.16 -0.13 1.20 0.00 0.00 0.00 173.10 174.06 3bjk s GLN 84 N 0.39 2.41 0.24 2.90 -0.21 -0.20 -1.13 119.66 124.06 3bjk s GLN 84 Ca -0.14 -1.22 -0.30 0.00 0.02 0.00 0.00 55.36 53.73 3bjk s GLN 84 Cb -0.16 -2.81 -0.09 0.00 1.00 0.00 0.00 33.01 30.95 3bjk s GLN 84 CO 0.05 -0.48 1.21 0.00 -2.12 0.00 0.00 175.29 173.95 3bjk n LEU 86 N 1.90 0.00 -3.64 0.00 4.77 0.32 -2.05 117.00 118.30 3bjk n LEU 86 Ca 0.02 -0.00 -0.07 0.00 -0.03 0.00 0.00 56.01 55.93 3bjk n LEU 86 Cb 0.44 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.46 3bjk n LEU 86 CO 0.56 0.00 0.79 -0.75 -1.33 0.00 0.00 177.39 176.67 3bjk s LYS 87 N -2.80 0.41 -0.11 3.23 2.20 -1.22 -4.85 119.74 116.61 3bjk s LYS 87 Ca -0.04 0.53 -0.01 0.00 -0.36 0.00 0.00 55.97 56.09 3bjk s LYS 87 Cb 0.07 0.18 0.03 0.00 -1.51 0.00 0.00 37.83 36.61 3bjk s LYS 87 CO 0.48 -0.06 -0.05 0.08 -0.36 0.00 0.00 175.35 175.45 3bjk s VAL 88 N 0.39 0.85 0.00 4.02 1.01 -1.26 -1.59 120.40 123.82 3bjk s VAL 88 Ca 0.02 -0.22 0.00 0.00 0.00 0.00 0.00 61.98 61.77 3bjk s VAL 88 Cb -0.05 -0.93 0.00 0.00 0.00 0.00 0.00 36.38 35.40 3bjk s VAL 88 CO -0.09 0.30 0.00 0.61 0.00 0.00 0.00 175.10 175.92 3bjk n GLY 89 N 4.99 1.05 0.28 4.51 0.00 0.17 -4.98 105.19 111.23 3bjk n GLY 89 Ca -0.11 -1.87 -0.16 0.00 0.00 0.00 0.00 46.02 43.88 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 -0.64 0.00 1.61 2.43 -1.96 -3.39 114.38 112.43 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 0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.70 3bjk h ARG 90 CO 0.00 -0.43 -0.52 -1.13 -1.51 0.00 0.00 179.97 176.39 3bjk n SER 91 N -5.38 2.50 -4.89 -3.80 3.41 -1.26 -0.64 113.62 103.57 3bjk n SER 91 Ca -0.12 -0.25 -0.32 0.00 -0.26 0.00 0.00 58.87 57.92 3bjk n SER 91 Cb 0.28 1.01 -0.05 0.00 -0.26 0.00 0.00 64.21 65.19 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 -1.54 6.54 -0.04 4.04 1.04 -1.26 -0.88 113.70 121.61 3bjk s SER 92 Ca -0.00 0.71 -0.01 0.00 0.48 0.00 0.00 55.95 57.13 3bjk s SER 92 Cb 0.00 -2.14 0.03 0.00 0.10 0.00 0.00 66.02 64.01 3bjk s SER 92 CO 0.01 0.02 0.03 -0.63 0.98 0.00 0.00 173.24 173.65 3bjk s ILE 93 N -1.70 0.07 -0.18 -1.02 1.01 -0.23 0.46 121.20 119.61 3bjk s ILE 93 Ca 0.43 0.23 -0.05 0.00 0.00 0.00 0.00 60.65 61.26 3bjk s ILE 93 Cb -0.12 -0.24 -0.03 0.00 0.01 0.00 0.00 42.46 42.08 3bjk s ILE 93 CO 0.23 0.17 -0.01 -0.54 0.00 0.00 0.00 174.94 174.79 3bjk s LYS 94 N 1.58 3.69 -0.12 2.79 1.02 -0.62 -0.98 119.74 127.10 3bjk s LYS 94 Ca -0.02 -0.49 0.01 0.00 0.02 0.00 0.00 55.97 55.49 3bjk s LYS 94 Cb -0.13 -3.03 0.02 0.00 -0.52 0.00 0.00 37.83 34.17 3bjk s LYS 94 CO -0.03 0.14 -0.14 0.42 -0.92 0.00 0.00 175.35 174.82 3bjk s ILE 95 N 0.66 1.48 -0.09 2.17 1.01 0.27 -0.52 121.20 126.17 3bjk s ILE 95 Ca -0.01 -0.61 -0.30 0.00 0.00 0.00 0.00 60.65 59.73 3bjk s ILE 95 Cb -0.14 -1.37 -0.02 0.00 0.01 0.00 0.00 42.46 40.93 3bjk s ILE 95 CO 0.02 0.44 1.13 -0.75 0.00 0.00 0.00 174.94 175.78 3bjk s LYS 96 N 1.17 4.37 -0.12 2.79 2.20 0.65 -0.66 119.74 130.13 3bjk s LYS 96 Ca -0.03 1.56 -0.01 0.00 -0.36 0.00 0.00 55.97 57.13 3bjk s LYS 96 Cb -0.14 -3.57 -0.02 0.00 -1.51 0.00 0.00 37.83 32.59 3bjk s LYS 96 CO -0.05 -0.42 -0.09 0.08 -0.36 0.00 0.00 175.35 174.51 3bjk s VAL 97 N 2.25 3.46 -0.10 4.02 1.01 0.63 -1.03 120.40 130.65 3bjk s VAL 97 Ca 0.53 -0.53 0.04 0.00 0.00 0.00 0.00 61.98 62.02 3bjk s VAL 97 Cb -0.22 -2.46 -0.00 0.00 0.00 0.00 0.00 36.38 33.70 3bjk s VAL 97 CO 0.19 0.53 -0.24 -1.61 0.00 0.00 0.00 175.10 173.98 3bjk s GLU 98 N 0.09 3.00 -0.23 2.72 2.02 -0.42 -1.08 118.70 124.80 3bjk s GLU 98 Ca -0.03 -0.87 -0.12 0.00 0.02 0.00 0.00 54.97 53.96 3bjk s GLU 98 Cb -0.14 -2.30 -0.05 0.00 0.10 0.00 0.00 34.13 31.75 3bjk s GLU 98 CO 0.04 0.21 0.23 0.08 0.02 0.00 0.00 175.26 175.83 3bjk s VAL 99 N 0.27 5.32 0.04 2.63 1.01 0.53 -0.87 120.40 129.32 3bjk s VAL 99 Ca -0.16 0.33 0.07 0.00 0.00 0.00 0.00 61.98 62.21 3bjk s VAL 99 Cb -0.17 -3.56 -0.03 0.00 0.00 0.00 0.00 36.38 32.61 3bjk s VAL 99 CO 0.08 0.32 -0.19 0.26 0.00 0.00 0.00 175.10 175.57 3bjk s TRP 100 N 1.13 2.53 0.04 5.22 0.52 0.36 -0.38 118.94 128.38 3bjk s TRP 100 Ca 0.11 -0.27 0.04 0.00 0.02 0.00 0.00 56.10 56.00 3bjk s TRP 100 Cb -0.14 -1.46 -0.04 0.00 -1.15 0.00 0.00 33.47 30.69 3bjk s TRP 100 CO 0.05 0.24 -0.05 0.08 0.02 0.00 0.00 176.95 177.29 3bjk s VAL 101 N -0.91 3.73 -0.08 4.03 1.01 -0.41 -0.81 120.40 126.97 3bjk s VAL 101 Ca 0.14 -0.90 0.02 0.00 0.00 0.00 0.00 61.98 61.24 3bjk s VAL 101 Cb -0.10 -2.69 0.02 0.00 0.00 0.00 0.00 36.38 33.60 3bjk s VAL 101 CO 0.05 0.27 -0.12 -0.75 0.00 0.00 0.00 175.10 174.56 3bjk s LYS 102 N -1.79 1.71 -0.41 2.72 2.20 -0.34 -1.90 119.74 121.92 3bjk s LYS 102 Ca 0.20 -0.40 -0.23 0.00 -0.36 0.00 0.00 55.97 55.18 3bjk s LYS 102 Cb -0.11 -1.48 0.02 0.00 -1.51 0.00 0.00 37.83 34.75 3bjk s LYS 102 CO 0.11 -0.03 0.79 0.15 -0.36 0.00 0.00 175.35 176.01 3bjk s LYS 103 N 0.88 3.58 -0.07 4.03 -0.14 -0.08 -1.39 119.74 126.55 3bjk s LYS 103 Ca -0.10 0.11 0.09 0.00 -1.36 0.00 0.00 55.97 54.70 3bjk s LYS 103 Cb -0.15 -3.87 -0.13 0.00 -1.68 0.00 0.00 37.83 32.00 3bjk s LYS 103 CO 0.01 -0.99 0.10 1.33 -0.76 0.00 0.00 175.35 175.04 3bjk n VAL 104 N 5.98 0.43 -1.93 3.17 0.24 -1.26 0.81 118.33 125.78 3bjk n VAL 104 Ca 0.03 -0.34 0.03 0.00 -2.04 0.00 0.00 64.34 62.01 3bjk n VAL 104 Cb 0.48 -0.41 0.04 0.00 -1.47 0.00 0.00 33.84 32.48 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 -2.18 2.23 -2.53 2.33 0.00 -1.26 -4.88 120.51 114.21 3bjk n ALA 105 Ca -0.11 -1.71 -0.13 0.00 0.00 0.00 0.00 53.44 51.49 3bjk n ALA 105 Cb 0.63 -0.52 -0.11 0.00 0.00 0.00 0.00 19.45 19.45 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 -1.67 1.11 0.21 0.00 1.04 -1.26 -5.11 113.70 108.01 3bjk s SER 106 Ca 0.15 -0.77 -0.18 0.00 0.48 0.00 0.00 55.95 55.63 3bjk s SER 106 Cb 0.15 0.05 -0.08 0.00 0.10 0.00 0.00 66.02 66.24 3bjk s SER 106 CO -0.04 -0.30 0.69 -1.61 0.98 0.00 0.00 173.24 172.96 3bjk s GLU 107 N -2.64 4.19 -0.00 4.02 0.41 -1.26 -3.35 118.70 120.07 3bjk s GLU 107 Ca 0.01 0.79 -0.19 0.00 -0.41 0.00 0.00 54.97 55.17 3bjk s GLU 107 Cb -0.03 -2.88 -0.06 0.00 -1.78 0.00 0.00 34.13 29.38 3bjk s GLU 107 CO -0.01 0.41 0.55 -1.25 -0.49 0.00 0.00 175.26 174.46 3bjk s PRO 108 N -1.99 4.24 0.18 0.39 0.04 -1.26 -5.10 135.00 131.50 3bjk s PRO 108 Ca 0.42 0.66 -0.30 0.00 0.04 0.00 0.00 61.00 61.82 3bjk s PRO 108 Cb -0.16 -3.32 -0.08 0.00 0.04 0.00 0.00 34.50 30.98 3bjk s PRO 108 CO 0.20 0.44 1.13 0.42 0.04 0.00 0.00 177.00 179.24 3bjk s ILE 109 N -0.39 3.75 0.00 0.56 1.01 -1.21 -2.55 121.20 122.37 3bjk s ILE 109 Ca 0.29 1.50 0.00 0.00 0.00 0.00 0.00 60.65 62.44 3bjk s ILE 109 Cb -0.18 -3.96 0.00 0.00 0.01 0.00 0.00 42.46 38.33 3bjk s ILE 109 CO 0.16 0.25 0.00 0.61 0.00 0.00 0.00 174.94 175.97 3bjk n GLY 110 N 2.07 2.12 3.71 6.18 0.00 0.24 -5.00 105.19 114.51 3bjk n GLY 110 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 3bjk n GLY 110 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3bjk s GLU 111 N -0.31 4.13 0.00 1.61 2.12 -1.06 -4.77 118.70 120.43 3bjk s GLU 111 Ca 0.00 2.59 0.05 0.00 0.36 0.00 0.00 54.97 57.97 3bjk s GLU 111 Cb 0.00 -3.24 -0.01 0.00 0.26 0.00 0.00 34.13 31.14 3bjk s GLU 111 CO 0.00 -0.78 -0.14 1.03 -0.54 0.00 0.00 175.26 174.83 3bjk s ARG 112 N 1.66 1.09 0.19 4.30 3.00 -1.26 -0.90 118.95 127.04 3bjk s ARG 112 Ca 0.76 -0.58 -0.23 0.00 0.00 0.00 0.00 55.73 55.69 3bjk s ARG 112 Cb -0.48 -1.07 0.05 0.00 0.00 0.00 0.00 34.95 33.45 3bjk s ARG 112 CO 0.33 0.29 0.67 1.52 0.00 0.00 0.00 175.30 178.11 3bjk s TYR 113 N -0.48 -0.39 -0.13 -0.53 -0.85 -0.80 -4.99 117.35 109.19 3bjk s TYR 113 Ca 0.04 0.09 -0.23 0.00 -0.52 0.00 0.00 57.07 56.45 3bjk s TYR 113 Cb -0.06 0.62 -0.03 0.00 0.38 0.00 0.00 41.96 42.87 3bjk s TYR 113 CO 0.00 -0.97 0.70 0.00 -1.52 0.00 0.00 175.55 173.76 3bjk n VAL 115 N 4.25 0.17 -3.66 0.00 0.24 0.49 -4.66 118.33 115.17 3bjk n VAL 115 Ca -0.00 -0.33 -0.15 0.00 -2.04 0.00 0.00 64.34 61.82 3bjk n VAL 115 Cb 0.50 0.02 -0.08 0.00 -1.47 0.00 0.00 33.84 32.82 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 -2.74 0.01 0.18 3.34 2.01 -1.20 0.13 115.64 117.37 3bjk s THR 116 Ca -0.05 -0.11 -0.05 0.00 0.31 0.00 0.00 61.69 61.80 3bjk s THR 116 Cb 0.07 -0.80 -0.03 0.00 0.01 0.00 0.00 72.50 71.75 3bjk s THR 116 CO 0.51 -0.06 0.19 1.51 -0.69 0.00 0.00 174.62 176.08 3bjk s ASP 117 N -0.50 0.14 -0.10 3.53 -4.77 -0.71 -0.35 116.67 113.90 3bjk s ASP 117 Ca -0.06 -1.15 -0.32 0.00 -3.30 0.00 0.00 52.55 47.72 3bjk s ASP 117 Cb -0.03 0.40 0.12 0.00 -1.09 0.00 0.00 42.92 42.32 3bjk s ASP 117 CO 0.04 -0.86 1.09 0.00 0.70 0.00 0.00 175.17 176.14 3bjk s ALA 118 N -4.06 -1.97 -0.23 2.11 0.00 -0.24 -0.49 121.76 116.87 3bjk s ALA 118 Ca 0.27 1.29 -0.03 0.00 0.00 0.00 0.00 51.96 53.49 3bjk s ALA 118 Cb 0.05 0.13 0.00 0.00 0.00 0.00 0.00 23.12 23.30 3bjk s ALA 118 CO 0.06 -0.67 -0.06 0.08 0.00 0.00 0.00 175.76 175.17 3bjk s VAL 119 N -2.71 3.15 -0.02 0.00 1.01 0.12 -0.27 120.40 121.69 3bjk s VAL 119 Ca 0.08 -0.66 -0.02 0.00 0.00 0.00 0.00 61.98 61.38 3bjk s VAL 119 Cb -0.01 -2.47 -0.04 0.00 0.00 0.00 0.00 36.38 33.87 3bjk s VAL 119 CO -0.06 0.37 0.11 -0.36 0.00 0.00 0.00 175.10 175.17 3bjk s PHE 120 N 1.43 3.39 -0.12 5.22 0.40 0.16 -0.37 117.98 128.09 3bjk s PHE 120 Ca 0.04 0.28 0.03 0.00 -0.60 0.00 0.00 56.93 56.68 3bjk s PHE 120 Cb -0.15 -1.79 0.00 0.00 0.51 0.00 0.00 43.02 41.60 3bjk s PHE 120 CO -0.04 0.59 -0.21 0.99 0.70 0.00 0.00 175.22 177.25 3bjk s THR 121 N -1.21 2.21 0.27 0.64 2.01 -0.06 -0.57 115.64 118.92 3bjk s THR 121 Ca 0.23 -0.95 0.12 0.00 0.31 0.00 0.00 61.69 61.40 3bjk s THR 121 Cb -0.12 -1.87 -0.05 0.00 0.01 0.00 0.00 72.50 70.46 3bjk s THR 121 CO 0.14 0.55 -0.20 -0.36 -0.69 0.00 0.00 174.62 174.06 3bjk s PHE 122 N 0.58 2.24 -0.07 4.92 0.40 -0.15 -1.12 117.98 124.78 3bjk s PHE 122 Ca -0.12 -0.35 0.01 0.00 -0.60 0.00 0.00 56.93 55.87 3bjk s PHE 122 Cb -0.17 -0.98 0.02 0.00 0.51 0.00 0.00 43.02 42.40 3bjk s PHE 122 CO 0.03 0.68 -0.09 0.08 0.70 0.00 0.00 175.22 176.62 3bjk s VAL 123 N -2.51 0.95 0.12 -0.44 1.01 -0.28 -1.07 120.40 118.17 3bjk s VAL 123 Ca 0.29 -0.34 -0.31 0.00 0.00 0.00 0.00 61.98 61.62 3bjk s VAL 123 Cb -0.05 -0.91 -0.08 0.00 0.00 0.00 0.00 36.38 35.34 3bjk s VAL 123 CO 0.14 0.32 1.44 0.00 0.00 0.00 0.00 175.10 177.00 3bjk s ALA 124 N 0.95 3.63 0.15 5.51 0.00 -0.06 -0.58 121.76 131.36 3bjk s ALA 124 Ca -0.10 1.17 0.06 0.00 0.00 0.00 0.00 51.96 53.09 3bjk s ALA 124 Cb -0.15 -3.56 -0.04 0.00 0.00 0.00 0.00 23.12 19.37 3bjk s ALA 124 CO 0.00 -0.67 -0.13 0.14 0.00 0.00 0.00 175.76 175.10 3bjk s VAL 125 N 1.19 1.41 0.68 0.00 -7.23 -0.42 -1.67 120.40 114.37 3bjk s VAL 125 Ca 0.66 -1.93 -0.09 0.00 -1.81 0.00 0.00 61.98 58.82 3bjk s VAL 125 Cb -0.38 -1.74 0.15 0.00 0.56 0.00 0.00 36.38 34.96 3bjk s VAL 125 CO 0.30 -0.53 0.92 -0.90 -0.31 0.00 0.00 175.10 174.58 3bjk n ASP 126 N 0.13 0.36 0.28 4.85 5.68 0.14 -4.29 116.55 123.70 3bjk n ASP 126 Ca -0.12 -1.51 0.12 0.00 -0.50 0.00 0.00 54.79 52.77 3bjk n ASP 126 Cb 0.59 -0.68 0.77 0.00 -1.14 0.00 0.00 41.12 40.66 3bjk n ASP 126 CO 0.00 0.00 0.00 0.78 -1.33 0.00 0.00 177.20 176.65 3bjk h ASN 127 N -1.04 0.00 -0.47 -1.12 2.35 -1.99 -1.24 115.58 112.07 3bjk h ASN 127 Ca -0.30 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.45 3bjk h ASN 127 Cb 0.90 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.27 3bjk h ASN 127 CO 0.24 0.02 0.00 0.59 -1.65 0.00 0.00 177.43 176.63 3bjk n ASN 128 N -4.13 4.78 -0.04 5.81 3.02 -1.26 -4.94 115.26 118.49 3bjk n ASN 128 Ca -0.03 -2.73 -0.01 0.00 -0.03 0.00 0.00 54.58 51.79 3bjk n ASN 128 Cb 0.11 -0.64 -0.00 0.00 -0.61 0.00 0.00 39.78 38.63 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 0.54 0.24 3.82 7.41 0.00 -0.47 -5.00 105.19 111.74 3bjk n GLY 129 Ca 0.22 -0.02 -0.33 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.32 4.20 0.58 1.61 0.52 -1.26 -4.74 118.95 118.53 3bjk s ARG 130 Ca 0.00 1.00 -0.20 0.00 -0.52 0.00 0.00 55.73 56.02 3bjk s ARG 130 Cb 0.00 -2.33 -0.04 0.00 0.52 0.00 0.00 34.95 33.10 3bjk s ARG 130 CO 0.00 0.07 1.23 -1.54 0.02 0.00 0.00 175.30 175.07 3bjk s SER 131 N -2.14 5.26 0.06 0.23 1.04 -1.26 0.26 113.70 117.15 3bjk s SER 131 Ca 0.58 2.45 0.00 0.00 0.48 0.00 0.00 55.95 59.46 3bjk s SER 131 Cb -0.10 -2.61 -0.04 0.00 0.10 0.00 0.00 66.02 63.37 3bjk s SER 131 CO 0.15 -1.55 -0.04 0.00 0.98 0.00 0.00 173.24 172.78 3bjk s ARG 132 N -3.21 0.61 0.05 4.02 1.70 -0.67 -4.68 118.95 116.77 3bjk s ARG 132 Ca 0.76 -1.11 -0.30 0.00 -0.47 0.00 0.00 55.73 54.60 3bjk s ARG 132 Cb -0.32 0.05 -0.05 0.00 -0.57 0.00 0.00 34.95 34.06 3bjk s ARG 132 CO 0.35 -0.06 1.14 0.99 -1.08 0.00 0.00 175.30 176.64 3bjk s THR 133 N -3.23 4.24 -0.03 4.99 2.01 -1.26 -4.19 115.64 118.17 3bjk s THR 133 Ca 0.03 1.61 -0.30 0.00 0.31 0.00 0.00 61.69 63.34 3bjk s THR 133 Cb 0.03 -4.03 -0.05 0.00 0.01 0.00 0.00 72.50 68.46 3bjk s THR 133 CO -0.06 0.13 1.41 -0.63 -0.69 0.00 0.00 174.62 174.78 3bjk s ILE 134 N 1.04 3.77 0.17 1.82 1.01 0.19 -4.94 121.20 124.26 3bjk s ILE 134 Ca 0.57 1.11 -0.30 0.00 0.00 0.00 0.00 60.65 62.02 3bjk s ILE 134 Cb -0.27 -3.71 -0.08 0.00 0.01 0.00 0.00 42.46 38.40 3bjk s ILE 134 CO 0.29 -0.03 1.34 -2.16 0.00 0.00 0.00 174.94 174.38 3bjk s PRO 135 N 2.73 4.36 0.24 2.79 0.04 -1.26 -4.92 135.00 138.97 3bjk s PRO 135 Ca 0.64 2.07 0.23 0.00 0.04 0.00 0.00 61.00 63.98 3bjk s PRO 135 Cb -0.30 -3.21 0.17 0.00 0.04 0.00 0.00 34.50 31.20 3bjk s PRO 135 CO 0.25 -0.32 1.25 0.00 0.04 0.00 0.00 177.00 178.22 3bjk h ARG 136 N 5.83 0.00 -6.65 4.56 -0.00 -1.97 -3.44 114.38 112.71 3bjk h ARG 136 Ca -0.44 0.00 -0.51 0.00 -0.50 0.00 0.00 59.98 58.53 3bjk h ARG 136 Cb 1.21 0.00 -0.03 0.00 0.00 0.00 0.00 29.97 31.16 3bjk h ARG 136 CO 0.80 0.00 0.26 -1.83 0.00 0.00 0.00 179.97 179.20 3bjk s GLU 137 N -3.28 4.67 -1.52 0.04 1.03 -1.26 -4.26 118.70 114.12 3bjk s GLU 137 Ca 0.03 1.29 -0.05 0.00 0.03 0.00 0.00 54.97 56.27 3bjk s GLU 137 Cb 0.09 -3.20 0.04 0.00 -0.80 0.00 0.00 34.13 30.26 3bjk s GLU 137 CO 0.74 0.52 0.41 0.09 -1.33 0.00 0.00 175.26 175.69 3bjk n ASN 138 N 1.41 -0.72 -3.74 0.83 3.02 -1.26 -4.89 115.26 109.90 3bjk n ASN 138 Ca -0.03 -1.07 -0.28 0.00 -0.03 0.00 0.00 54.58 53.16 3bjk n ASN 138 Cb 0.48 -2.63 -0.12 0.00 -0.61 0.00 0.00 39.78 36.90 3bjk n ASN 138 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 3bjk s ASN 139 N -4.11 3.72 0.38 6.41 3.84 -1.26 -4.93 114.94 119.00 3bjk s ASN 139 Ca 0.19 -3.41 0.10 0.00 0.21 0.00 0.00 52.86 49.94 3bjk s ASN 139 Cb -0.10 -1.23 0.76 0.00 -0.55 0.00 0.00 41.25 40.13 3bjk s ASN 139 CO 0.93 -0.14 1.89 -0.61 -2.79 0.00 0.00 177.10 176.37 3bjk h GLN 140 N 5.73 0.20 -0.13 0.43 4.15 -1.94 -2.10 115.11 121.44 3bjk h GLN 140 Ca 0.14 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.51 3bjk h GLN 140 Cb 0.83 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.49 3bjk h GLN 140 CO 0.59 0.38 0.09 0.93 -1.93 0.00 0.00 178.83 178.89 3bjk h GLU 141 N 0.18 0.17 -0.48 1.69 3.07 -1.91 -1.35 114.58 115.95 3bjk h GLU 141 Ca 0.03 -0.01 0.02 0.00 -0.50 0.00 0.00 59.36 58.90 3bjk h GLU 141 Cb 0.44 -0.04 -0.03 0.00 -0.84 0.00 0.00 28.75 28.28 3bjk h GLU 141 CO 0.03 0.12 0.29 1.25 -1.40 0.00 0.00 179.01 179.29 3bjk h LEU 142 N 0.17 0.47 -0.39 1.33 5.85 -1.76 -0.78 115.31 120.20 3bjk h LEU 142 Ca 0.05 0.00 0.07 0.00 0.84 0.00 0.00 57.88 58.84 3bjk h LEU 142 Cb -0.02 -0.10 -0.07 0.00 0.37 0.00 0.00 40.66 40.85 3bjk h LEU 142 CO -0.01 0.33 -0.04 -0.08 -0.34 0.00 0.00 178.44 178.30 3bjk h GLU 143 N 0.58 0.06 -0.43 1.25 4.81 -1.08 0.26 114.58 120.02 3bjk h GLU 143 Ca 0.19 -0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.35 3bjk h GLU 143 Cb 0.01 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.35 3bjk h GLU 143 CO -0.08 0.04 -0.01 0.87 -0.73 0.00 0.00 179.01 179.10 3bjk h LYS 144 N 0.06 0.70 -0.60 1.92 1.57 -1.05 -2.47 116.57 116.70 3bjk h LYS 144 Ca 0.19 -0.18 0.01 0.00 -1.87 0.00 0.00 60.65 58.80 3bjk h LYS 144 Cb 0.28 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.47 3bjk h LYS 144 CO -0.35 0.73 0.39 0.00 -0.57 0.00 0.00 179.45 179.64 3bjk h ALA 145 N 1.33 0.76 0.00 3.86 0.00 0.44 -2.61 119.26 123.04 3bjk h ALA 145 Ca 0.13 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.92 3bjk h ALA 145 Cb 0.43 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3bjk h ALA 145 CO 0.02 0.16 -0.40 -0.07 0.00 0.00 0.00 179.25 178.95 3bjk h LEU 146 N 0.78 0.00 -0.87 0.00 3.38 -0.23 -1.27 115.31 117.10 3bjk h LEU 146 Ca 0.23 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.11 3bjk h LEU 146 Cb -0.06 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 3bjk h LEU 146 CO -0.06 0.40 -0.05 0.00 0.09 0.00 0.00 178.44 178.82 3bjk h ALA 147 N 1.60 1.06 -0.19 1.53 0.00 -1.18 -2.57 119.26 119.51 3bjk h ALA 147 Ca -0.00 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 3bjk h ALA 147 Cb 0.87 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 3bjk h ALA 147 CO 0.05 0.58 0.08 -0.07 0.00 0.00 0.00 179.25 179.89 3bjk h LEU 148 N 0.71 0.25 -1.26 0.00 3.38 -0.99 -2.16 115.31 115.25 3bjk h LEU 148 Ca 0.13 -0.16 0.27 0.00 0.09 0.00 0.00 57.88 58.21 3bjk h LEU 148 Cb 0.52 -0.07 -0.10 0.00 0.09 0.00 0.00 40.66 41.09 3bjk h LEU 148 CO 0.03 0.34 0.66 0.40 0.09 0.00 0.00 178.44 179.96 3bjk h ILE 149 N 0.15 0.51 0.00 1.22 2.04 -0.66 -2.69 117.51 118.08 3bjk h ILE 149 Ca 0.06 -0.15 0.00 0.00 1.00 0.00 0.00 64.86 65.77 3bjk h ILE 149 Cb 0.17 0.04 0.00 0.00 -0.74 0.00 0.00 36.82 36.28 3bjk h ILE 149 CO -0.01 0.08 0.00 -1.20 0.00 0.00 0.00 178.15 177.02 3bjk n SER 150 N -4.71 0.00 -4.32 1.72 7.64 -0.81 -4.27 113.62 108.87 3bjk n SER 150 Ca 0.26 0.00 -0.34 0.00 1.01 0.00 0.00 58.87 59.81 3bjk n SER 150 Cb 0.87 0.00 -0.14 0.00 -1.01 0.00 0.00 64.21 63.92 3bjk n SER 150 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 3bjk s GLU 151 N -1.71 3.34 0.00 1.43 8.01 -1.02 -5.12 118.70 123.64 3bjk s GLU 151 Ca 0.00 -0.68 0.12 0.00 0.01 0.00 0.00 54.97 54.42 3bjk s GLU 151 Cb 0.00 -2.77 0.09 0.00 -4.31 0.00 0.00 34.13 27.14 3bjk s GLU 151 CO 0.00 0.01 0.87 0.00 0.01 0.00 0.00 175.26 176.15