#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bjk s ARG 11 N 0.00 4.18 0.12 1.61 3.52 -1.26 -5.05 118.95 122.06 3bjk s ARG 11 Ca 0.00 2.13 0.08 0.00 -0.13 0.00 0.00 55.73 57.81 3bjk s ARG 11 Cb 0.00 -2.91 -0.04 0.00 -1.56 0.00 0.00 34.95 30.45 3bjk s ARG 11 CO 0.00 -0.31 -0.19 -0.65 -0.81 0.00 0.00 175.30 173.34 3bjk s GLN 12 N -2.01 1.13 0.37 5.12 -0.21 -1.26 -5.00 119.66 117.80 3bjk s GLN 12 Ca 0.53 -1.22 -0.26 0.00 0.02 0.00 0.00 55.36 54.43 3bjk s GLN 12 Cb -0.38 -1.30 -0.09 0.00 1.00 0.00 0.00 33.01 32.25 3bjk s GLN 12 CO 0.49 0.29 1.16 -1.54 -2.12 0.00 0.00 175.29 173.57 3bjk s SER 13 N -2.13 6.70 0.07 5.90 1.04 -1.26 -5.05 113.70 118.97 3bjk s SER 13 Ca 0.08 2.34 0.08 0.00 0.48 0.00 0.00 55.95 58.93 3bjk s SER 13 Cb -0.09 -2.62 -0.03 0.00 0.10 0.00 0.00 66.02 63.39 3bjk s SER 13 CO 0.05 -0.55 -0.21 -1.59 0.98 0.00 0.00 173.24 171.92 3bjk s LYS 14 N -2.11 1.27 0.10 4.02 -2.85 -1.26 -5.04 119.74 113.86 3bjk s LYS 14 Ca 0.54 -1.02 0.00 0.00 -1.00 0.00 0.00 55.97 54.49 3bjk s LYS 14 Cb -0.31 -1.44 0.00 0.00 -2.06 0.00 0.00 37.83 34.02 3bjk s LYS 14 CO 0.40 0.35 0.00 0.41 0.10 0.00 0.00 175.35 176.61 3bjk n GLY 15 N 1.55 -2.86 3.85 0.59 0.00 -1.26 -4.20 105.19 102.85 3bjk n GLY 15 Ca -0.18 -1.97 -0.34 0.00 0.00 0.00 0.00 46.02 43.53 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 -0.49 5.18 0.03 1.61 0.11 0.07 -4.67 120.40 122.24 3bjk s VAL 16 Ca 0.00 -0.16 -0.32 0.00 -2.93 0.00 0.00 61.98 58.57 3bjk s VAL 16 Cb 0.00 -3.36 -0.11 0.00 -1.53 0.00 0.00 36.38 31.38 3bjk s VAL 16 CO 0.00 0.41 1.89 -0.11 -3.33 0.00 0.00 175.10 173.96 3bjk n LEU 17 N 1.30 3.87 -0.12 2.54 7.94 -1.26 -0.78 117.00 130.48 3bjk n LEU 17 Ca -0.14 0.95 -0.25 0.00 -1.11 0.00 0.00 56.01 55.46 3bjk n LEU 17 Cb 0.53 -1.48 -0.11 0.00 0.53 0.00 0.00 43.42 42.89 3bjk n LEU 17 CO 0.39 0.10 -1.21 0.18 -1.11 0.00 0.00 177.39 175.73 3bjk n LEU 18 N 6.54 2.19 -3.80 -1.96 4.77 0.94 -4.92 117.00 120.76 3bjk n LEU 18 Ca 0.20 0.25 -0.12 0.00 -0.03 0.00 0.00 56.01 56.31 3bjk n LEU 18 Cb 0.36 -0.89 -0.09 0.00 -2.33 0.00 0.00 43.42 40.47 3bjk n LEU 18 CO 0.69 0.61 -0.05 -0.76 -1.33 0.00 0.00 177.39 176.55 3bjk s LEU 19 N -7.35 1.11 -0.09 2.23 1.43 -1.14 -4.91 118.68 109.96 3bjk s LEU 19 Ca -0.35 0.04 -0.04 0.00 -1.03 0.00 0.00 54.13 52.75 3bjk s LEU 19 Cb 0.11 1.02 0.04 0.00 0.03 0.00 0.00 46.19 47.40 3bjk s LEU 19 CO 0.55 -0.38 0.21 -0.60 0.23 0.00 0.00 176.35 176.36 3bjk s ARG 20 N -1.17 0.16 0.29 1.70 3.52 -1.26 -1.51 118.95 120.68 3bjk s ARG 20 Ca -0.12 0.49 -0.13 0.00 -0.13 0.00 0.00 55.73 55.83 3bjk s ARG 20 Cb -0.06 -0.14 0.01 0.00 -1.56 0.00 0.00 34.95 33.20 3bjk s ARG 20 CO 0.03 -0.18 0.58 -0.08 -0.81 0.00 0.00 175.30 174.84 3bjk s THR 21 N 1.34 0.00 -0.10 4.11 -1.32 -0.46 -5.01 115.64 114.20 3bjk s THR 21 Ca -0.08 -1.29 -0.02 0.00 -1.21 0.00 0.00 61.69 59.09 3bjk s THR 21 Cb -0.11 -2.33 -0.03 0.00 -1.51 0.00 0.00 72.50 68.52 3bjk s THR 21 CO -0.08 0.00 0.00 -0.22 -2.21 0.00 0.00 174.62 172.11 3bjk s LEU 22 N -3.04 3.56 -0.03 9.08 2.96 -1.26 -1.08 118.68 128.87 3bjk s LEU 22 Ca 0.20 0.11 -0.30 0.00 -0.22 0.00 0.00 54.13 53.92 3bjk s LEU 22 Cb -0.02 -1.82 -0.03 0.00 0.50 0.00 0.00 46.19 44.81 3bjk s LEU 22 CO 0.11 0.34 1.12 0.00 -1.32 0.00 0.00 176.35 176.60 3bjk s ALA 23 N -0.64 3.39 0.18 5.97 0.00 -0.55 -4.95 121.76 125.16 3bjk s ALA 23 Ca 0.10 0.61 0.09 0.00 0.00 0.00 0.00 51.96 52.77 3bjk s ALA 23 Cb -0.12 -3.45 -0.04 0.00 0.00 0.00 0.00 23.12 19.51 3bjk s ALA 23 CO 0.02 -0.55 -0.12 -1.64 0.00 0.00 0.00 175.76 173.47 3bjk s MET 24 N 1.66 1.97 0.41 0.00 -1.94 -1.26 -1.43 119.30 118.71 3bjk s MET 24 Ca 0.54 -1.31 0.15 0.00 -1.71 0.00 0.00 55.69 53.37 3bjk s MET 24 Cb -0.24 -2.11 1.01 0.00 2.01 0.00 0.00 34.83 35.50 3bjk s MET 24 CO 0.24 0.43 1.89 -1.35 -0.01 0.00 0.00 175.02 176.23 3bjk h PRO 25 N 2.99 0.46 0.00 2.03 0.11 -1.98 -2.05 132.00 133.56 3bjk h PRO 25 Ca -0.47 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3bjk h PRO 25 Cb 1.20 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.21 3bjk h PRO 25 CO 0.53 0.30 0.00 0.66 -0.21 0.00 0.00 178.00 179.28 3bjk h SER 26 N 0.47 0.00 -0.54 -2.05 4.64 -2.02 -2.86 113.55 111.19 3bjk h SER 26 Ca 0.41 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.63 3bjk h SER 26 Cb 0.90 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.93 3bjk h SER 26 CO -0.15 0.00 0.10 0.47 -0.87 0.00 0.00 176.83 176.38 3bjk n ASP 27 N -2.33 4.64 -4.91 4.97 8.00 -0.77 -4.99 116.55 121.15 3bjk n ASP 27 Ca 0.01 -3.15 -0.27 0.00 0.71 0.00 0.00 54.79 52.09 3bjk n ASP 27 Cb 0.18 -0.67 -0.01 0.00 -0.02 0.00 0.00 41.12 40.59 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 -2.92 4.96 0.38 -3.53 -4.23 -1.08 -0.86 115.64 108.36 3bjk s THR 28 Ca 0.51 0.06 0.05 0.00 -1.18 0.00 0.00 61.69 61.13 3bjk s THR 28 Cb 0.41 -3.83 0.07 0.00 1.34 0.00 0.00 72.50 70.48 3bjk s THR 28 CO 0.12 -0.67 0.53 -0.46 -0.54 0.00 0.00 174.62 173.60 3bjk n ASN 29 N -1.85 1.24 0.25 3.99 0.23 0.12 -4.59 115.26 114.64 3bjk n ASN 29 Ca -0.01 -1.92 0.10 0.00 -0.53 0.00 0.00 54.58 52.22 3bjk n ASN 29 Cb 0.55 -0.29 0.64 0.00 -2.08 0.00 0.00 39.78 38.59 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 0.10 1.40 0.00 -2.53 0.00 -2.00 -1.01 119.26 115.22 3bjk h ALA 30 Ca -0.18 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.59 3bjk h ALA 30 Cb 0.78 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.55 3bjk h ALA 30 CO 0.24 0.20 0.00 0.09 0.00 0.00 0.00 179.25 179.78 3bjk n ASN 31 N -3.86 0.59 0.00 0.00 3.02 -1.26 -4.91 115.26 108.84 3bjk n ASN 31 Ca -0.02 0.59 0.00 0.00 -0.03 0.00 0.00 54.58 55.12 3bjk n ASN 31 Cb 0.25 -0.73 0.00 0.00 -0.61 0.00 0.00 39.78 38.69 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 0.78 0.80 3.93 7.41 0.00 -0.38 -5.06 105.19 112.67 3bjk n GLY 32 Ca 0.04 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.95 4.69 0.12 1.61 1.01 -1.26 -4.55 116.67 115.34 3bjk s ASP 33 Ca 0.00 0.49 -0.30 0.00 0.71 0.00 0.00 52.55 53.44 3bjk s ASP 33 Cb 0.00 -1.08 -0.07 0.00 1.01 0.00 0.00 42.92 42.78 3bjk s ASP 33 CO 0.00 -1.70 1.24 -0.63 0.21 0.00 0.00 175.17 174.29 3bjk s ILE 34 N -3.33 3.70 0.34 0.77 -1.09 0.05 0.12 121.20 121.76 3bjk s ILE 34 Ca 0.61 1.29 -0.29 0.00 -2.23 0.00 0.00 60.65 60.04 3bjk s ILE 34 Cb -0.10 -3.83 -0.12 0.00 -1.58 0.00 0.00 42.46 36.83 3bjk s ILE 34 CO 0.46 0.14 1.43 0.33 -1.23 0.00 0.00 174.94 176.07 3bjk n PHE 35 N 3.36 2.63 -0.16 3.97 7.35 -0.04 -4.68 117.46 129.90 3bjk n PHE 35 Ca 0.08 0.45 -0.02 0.00 -0.76 0.00 0.00 57.45 57.20 3bjk n PHE 35 Cb 0.45 -2.49 0.21 0.00 0.35 0.00 0.00 39.48 37.99 3bjk n PHE 35 CO 0.00 0.00 0.00 0.78 -0.76 0.00 0.00 176.76 176.78 3bjk h GLY 36 N 3.24 0.94 1.34 7.13 0.00 -1.93 -1.73 103.07 112.06 3bjk h GLY 36 Ca -0.48 -0.48 0.03 0.00 0.00 0.00 0.00 47.33 46.40 3bjk h GLY 36 CO 0.67 0.45 0.39 -1.33 0.00 0.00 0.00 176.54 176.72 3bjk h GLY 37 N 0.98 0.80 0.97 4.60 0.00 -1.97 -1.23 103.07 107.21 3bjk h GLY 37 Ca 0.21 -0.28 -0.06 0.00 0.00 0.00 0.00 47.33 47.20 3bjk h GLY 37 CO -0.02 0.26 0.08 -0.25 0.00 0.00 0.00 176.54 176.60 3bjk h TRP 38 N 0.72 0.84 -0.34 5.60 7.01 -1.67 -1.10 115.95 127.01 3bjk h TRP 38 Ca 0.23 -0.12 -0.03 0.00 2.11 0.00 0.00 58.89 61.09 3bjk h TRP 38 Cb 0.04 -0.23 -0.01 0.00 -2.10 0.00 0.00 29.16 26.85 3bjk h TRP 38 CO -0.00 0.78 0.10 0.82 -2.79 0.00 0.00 178.44 177.35 3bjk h ILE 39 N 0.65 1.21 -0.91 2.65 2.04 -1.27 -1.50 117.51 120.38 3bjk h ILE 39 Ca 0.14 -0.68 0.07 0.00 1.00 0.00 0.00 64.86 65.40 3bjk h ILE 39 Cb 0.39 1.02 -0.06 0.00 -0.74 0.00 0.00 36.82 37.43 3bjk h ILE 39 CO 0.01 0.23 0.59 0.24 0.00 0.00 0.00 178.15 179.23 3bjk h MET 40 N 0.39 0.98 -0.47 2.37 2.86 -1.22 -1.24 114.93 118.59 3bjk h MET 40 Ca 0.11 -0.06 -0.12 0.00 -2.06 0.00 0.00 59.70 57.57 3bjk h MET 40 Cb 0.26 -0.22 -0.01 0.00 0.06 0.00 0.00 31.60 31.68 3bjk h MET 40 CO -0.00 0.65 -0.19 0.77 1.06 0.00 0.00 176.91 179.20 3bjk h SER 41 N 1.01 0.98 -0.41 1.22 0.02 -0.85 -1.25 113.55 114.27 3bjk h SER 41 Ca 0.40 -0.39 -0.04 0.00 -0.84 0.00 0.00 61.79 60.92 3bjk h SER 41 Cb 0.25 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.51 3bjk h SER 41 CO -0.16 1.15 0.09 1.56 -1.14 0.00 0.00 176.83 178.33 3bjk h GLN 42 N 0.81 0.66 -0.52 3.45 1.08 -0.91 -1.65 115.11 118.03 3bjk h GLN 42 Ca 0.11 -0.17 0.01 0.00 -1.45 0.00 0.00 58.65 57.15 3bjk h GLN 42 Cb 0.76 -0.08 -0.03 0.00 -0.05 0.00 0.00 27.48 28.08 3bjk h GLN 42 CO 0.06 0.69 0.35 0.52 -0.95 0.00 0.00 178.83 179.50 3bjk h MET 43 N 0.53 0.69 -0.45 1.46 2.86 -1.05 -0.89 114.93 118.08 3bjk h MET 43 Ca 0.13 -0.04 -0.03 0.00 -2.06 0.00 0.00 59.70 57.69 3bjk h MET 43 Cb 0.33 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 31.82 3bjk h MET 43 CO 0.00 0.46 0.15 0.00 1.06 0.00 0.00 176.91 178.58 3bjk h ALA 44 N 1.19 0.59 -0.66 6.32 0.00 -1.16 -0.03 119.26 125.50 3bjk h ALA 44 Ca 0.19 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 3bjk h ALA 44 Cb -0.08 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 3bjk h ALA 44 CO -0.04 0.22 0.15 1.98 0.00 0.00 0.00 179.25 181.56 3bjk h MET 45 N 0.58 1.07 -0.09 0.00 -1.53 -1.10 -1.23 114.93 112.63 3bjk h MET 45 Ca 0.15 -0.27 -0.05 0.00 -3.44 0.00 0.00 59.70 56.09 3bjk h MET 45 Cb 0.24 -0.14 -0.00 0.00 -0.55 0.00 0.00 31.60 31.16 3bjk h MET 45 CO -0.01 0.97 -0.13 0.78 0.14 0.00 0.00 176.91 178.66 3bjk h GLY 46 N 1.00 0.28 0.48 1.39 0.00 -1.04 -2.51 103.07 102.66 3bjk h GLY 46 Ca 0.21 -0.31 0.06 0.00 0.00 0.00 0.00 47.33 47.29 3bjk h GLY 46 CO 0.00 0.28 0.05 -1.33 0.00 0.00 0.00 176.54 175.54 3bjk h GLY 47 N -0.18 0.42 1.04 4.60 0.00 -1.02 -2.41 103.07 105.51 3bjk h GLY 47 Ca 0.01 0.00 0.03 0.00 0.00 0.00 0.00 47.33 47.38 3bjk h GLY 47 CO 0.03 -0.06 0.58 0.00 0.00 0.00 0.00 176.54 177.09 3bjk h ALA 48 N 1.30 1.44 -0.31 3.60 0.00 -1.22 -1.65 119.26 122.41 3bjk h ALA 48 Ca 0.18 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 3bjk h ALA 48 Cb 0.23 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 3bjk h ALA 48 CO -0.27 0.48 0.19 0.82 0.00 0.00 0.00 179.25 180.47 3bjk h ILE 49 N 1.11 1.11 -0.61 0.00 2.04 -0.97 0.00 117.51 120.19 3bjk h ILE 49 Ca 0.34 -0.26 -0.08 0.00 1.00 0.00 0.00 64.86 65.86 3bjk h ILE 49 Cb -0.00 0.72 -0.02 0.00 -0.74 0.00 0.00 36.82 36.77 3bjk h ILE 49 CO -0.10 0.11 0.06 0.25 0.00 0.00 0.00 178.15 178.47 3bjk h LEU 50 N 0.40 0.99 -0.63 1.44 5.85 -1.22 -0.30 115.31 121.85 3bjk h LEU 50 Ca 0.11 -0.25 0.02 0.00 0.84 0.00 0.00 57.88 58.60 3bjk h LEU 50 Cb 0.01 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 40.74 3bjk h LEU 50 CO -0.02 1.01 0.41 0.00 -0.34 0.00 0.00 178.44 179.50 3bjk h ALA 51 N 1.10 0.81 -0.52 1.25 0.00 -1.09 -0.02 119.26 120.79 3bjk h ALA 51 Ca 0.18 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.96 3bjk h ALA 51 Cb 0.47 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 3bjk h ALA 51 CO 0.02 0.19 -0.07 0.87 0.00 0.00 0.00 179.25 180.26 3bjk h LYS 52 N 0.82 0.93 0.06 0.00 1.57 -0.56 0.17 116.57 119.57 3bjk h LYS 52 Ca 0.24 -0.31 -0.00 0.00 -1.87 0.00 0.00 60.65 58.71 3bjk h LYS 52 Cb -0.05 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.19 3bjk h LYS 52 CO -0.07 0.97 -0.03 0.93 -0.57 0.00 0.00 179.45 180.67 3bjk h GLU 53 N 0.85 -0.08 -0.58 3.15 5.08 -0.65 0.57 114.58 122.92 3bjk h GLU 53 Ca 0.14 0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.47 3bjk h GLU 53 Cb 0.59 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.83 3bjk h GLU 53 CO 0.04 0.07 0.21 0.82 -1.00 0.00 0.00 179.01 179.15 3bjk h ILE 54 N -0.21 1.21 -0.01 3.13 2.04 -0.91 -3.08 117.51 119.69 3bjk h ILE 54 Ca -0.01 -0.69 0.00 0.00 1.00 0.00 0.00 64.86 65.16 3bjk h ILE 54 Cb 0.18 0.55 0.00 0.00 -0.74 0.00 0.00 36.82 36.81 3bjk h ILE 54 CO 0.01 0.27 -0.25 0.00 0.00 0.00 0.00 178.15 178.18 3bjk n ALA 55 N -2.45 3.05 -3.74 1.87 0.00 0.58 -4.42 120.51 115.39 3bjk n ALA 55 Ca 0.05 -0.35 -0.28 0.00 0.00 0.00 0.00 53.44 52.86 3bjk n ALA 55 Cb 0.18 -1.19 0.04 0.00 0.00 0.00 0.00 19.45 18.48 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 -0.88 -2.40 -0.93 0.00 8.25 0.15 -4.56 115.22 114.85 3bjk n HIS 56 Ca 0.11 0.88 0.00 0.00 -0.26 0.00 0.00 57.72 58.46 3bjk n HIS 56 Cb 0.33 -4.21 0.00 0.00 1.12 0.00 0.00 29.99 27.23 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 -1.73 -0.25 3.75 -1.41 0.00 -0.96 -5.06 105.19 99.54 3bjk n GLY 57 Ca 0.02 -1.02 -0.38 0.00 0.00 0.00 0.00 46.02 44.63 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 3.27 0.21 1.61 0.52 -1.26 -4.46 118.95 116.84 3bjk s ARG 58 Ca 0.00 2.23 0.01 0.00 -0.52 0.00 0.00 55.73 57.45 3bjk s ARG 58 Cb 0.00 -2.33 -0.05 0.00 0.52 0.00 0.00 34.95 33.10 3bjk s ARG 58 CO 0.00 -1.09 0.05 0.14 0.02 0.00 0.00 175.30 174.42 3bjk s VAL 59 N -1.31 0.57 0.10 3.52 -7.23 -1.26 -1.39 120.40 113.40 3bjk s VAL 59 Ca 0.69 -1.99 0.07 0.00 -1.81 0.00 0.00 61.98 58.95 3bjk s VAL 59 Cb -0.40 -2.35 -0.03 0.00 0.56 0.00 0.00 36.38 34.16 3bjk s VAL 59 CO 0.48 -0.25 -0.19 0.54 -0.31 0.00 0.00 175.10 175.37 3bjk s VAL 60 N -3.74 1.54 -0.08 1.32 0.11 -0.00 -4.84 120.40 114.72 3bjk s VAL 60 Ca 0.30 -1.51 -0.23 0.00 -2.93 0.00 0.00 61.98 57.62 3bjk s VAL 60 Cb 0.07 -1.44 -0.04 0.00 -1.53 0.00 0.00 36.38 33.44 3bjk s VAL 60 CO 0.08 -0.13 0.68 -0.89 -3.33 0.00 0.00 175.10 171.51 3bjk s THR 61 N -1.28 5.05 -0.03 5.04 2.01 -1.26 -1.21 115.64 123.96 3bjk s THR 61 Ca 0.05 1.40 0.04 0.00 0.31 0.00 0.00 61.69 63.49 3bjk s THR 61 Cb -0.10 -4.02 -0.06 0.00 0.01 0.00 0.00 72.50 68.33 3bjk s THR 61 CO 0.04 0.25 0.05 1.33 -0.69 0.00 0.00 174.62 175.59 3bjk n VAL 62 N 3.81 0.19 -3.65 3.82 0.24 -0.26 -4.97 118.33 117.52 3bjk n VAL 62 Ca -0.02 -0.16 -0.13 0.00 -2.04 0.00 0.00 64.34 61.99 3bjk n VAL 62 Cb 0.51 -0.42 -0.06 0.00 -1.47 0.00 0.00 33.84 32.40 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 -2.19 -1.09 -0.32 2.33 0.00 -0.99 -5.00 121.76 114.51 3bjk s ALA 63 Ca -0.02 0.40 -0.01 0.00 0.00 0.00 0.00 51.96 52.33 3bjk s ALA 63 Cb 0.02 0.33 0.10 0.00 0.00 0.00 0.00 23.12 23.57 3bjk s ALA 63 CO 0.19 -0.45 0.11 0.08 0.00 0.00 0.00 175.76 175.69 3bjk s VAL 64 N -2.36 0.76 0.16 0.00 1.01 -1.26 -0.51 120.40 118.19 3bjk s VAL 64 Ca -0.06 -1.38 0.15 0.00 0.00 0.00 0.00 61.98 60.69 3bjk s VAL 64 Cb -0.01 -1.58 0.05 0.00 0.00 0.00 0.00 36.38 34.84 3bjk s VAL 64 CO -0.01 -0.70 1.62 1.05 0.00 0.00 0.00 175.10 177.05 3bjk h GLU 65 N 8.03 0.00 -3.33 2.72 4.11 -1.89 -3.45 114.58 120.77 3bjk h GLU 65 Ca -0.13 0.00 -0.16 0.00 0.07 0.00 0.00 59.36 59.13 3bjk h GLU 65 Cb 1.01 0.00 -0.24 0.00 0.50 0.00 0.00 28.75 30.02 3bjk h GLU 65 CO 0.46 0.52 -0.48 0.45 0.07 0.00 0.00 179.01 180.04 3bjk s SER 66 N -6.59 -0.13 -0.17 3.06 0.15 -1.25 -5.01 113.70 103.77 3bjk s SER 66 Ca 0.00 0.18 -0.13 0.00 0.70 0.00 0.00 55.95 56.70 3bjk s SER 66 Cb 0.11 0.33 0.05 0.00 -1.71 0.00 0.00 66.02 64.80 3bjk s SER 66 CO 0.73 -0.19 0.43 -0.32 1.20 0.00 0.00 173.24 175.09 3bjk s MET 67 N -0.46 0.47 -0.12 5.44 1.75 -1.26 -1.28 119.30 123.85 3bjk s MET 67 Ca -0.05 0.67 -0.00 0.00 -1.25 0.00 0.00 55.69 55.06 3bjk s MET 67 Cb -0.04 0.16 0.02 0.00 2.84 0.00 0.00 34.83 37.81 3bjk s MET 67 CO 0.01 -0.09 -0.09 -0.80 -0.65 0.00 0.00 175.02 173.39 3bjk s ASN 68 N 0.64 2.25 -0.45 1.11 0.01 -0.25 -4.99 114.94 113.26 3bjk s ASN 68 Ca -0.03 -0.34 -0.19 0.00 -0.71 0.00 0.00 52.86 51.59 3bjk s ASN 68 Cb -0.05 -0.91 0.03 0.00 0.41 0.00 0.00 41.25 40.73 3bjk s ASN 68 CO -0.04 -0.09 0.57 -0.36 -1.51 0.00 0.00 177.10 175.67 3bjk s PHE 69 N 1.57 3.10 -0.22 2.20 0.08 -1.26 -1.68 117.98 121.75 3bjk s PHE 69 Ca 0.03 -0.29 -0.19 0.00 0.12 0.00 0.00 56.93 56.60 3bjk s PHE 69 Cb -0.13 -3.25 -0.16 0.00 -0.57 0.00 0.00 43.02 38.91 3bjk s PHE 69 CO -0.08 -0.86 0.05 -0.89 -0.10 0.00 0.00 175.22 173.35 3bjk n ILE 70 N 5.65 1.53 -3.96 0.64 5.41 0.21 -5.00 119.36 123.84 3bjk n ILE 70 Ca -0.05 -0.10 -0.08 0.00 1.00 0.00 0.00 62.75 63.52 3bjk n ILE 70 Cb 0.47 -2.02 -0.09 0.00 -0.71 0.00 0.00 39.64 37.28 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 -2.40 0.65 0.59 0.38 1.02 -0.72 -5.03 119.74 114.23 3bjk s LYS 71 Ca -0.31 -0.95 -0.15 0.00 0.02 0.00 0.00 55.97 54.59 3bjk s LYS 71 Cb 0.08 0.25 -0.04 0.00 -0.52 0.00 0.00 37.83 37.59 3bjk s LYS 71 CO 0.55 -0.16 1.03 -1.25 -0.92 0.00 0.00 175.35 174.60 3bjk s PRO 72 N -3.30 3.48 -0.08 -1.68 0.04 -1.26 -4.70 135.00 127.51 3bjk s PRO 72 Ca 0.01 1.04 -0.05 0.00 0.04 0.00 0.00 61.00 62.04 3bjk s PRO 72 Cb 0.03 -2.06 -0.04 0.00 0.04 0.00 0.00 34.50 32.47 3bjk s PRO 72 CO -0.08 -0.66 0.14 0.42 0.04 0.00 0.00 177.00 176.85 3bjk s ILE 73 N -2.68 5.32 0.12 0.56 1.01 -1.26 -5.01 121.20 119.25 3bjk s ILE 73 Ca 0.60 0.02 0.05 0.00 0.00 0.00 0.00 60.65 61.32 3bjk s ILE 73 Cb -0.13 -3.37 -0.04 0.00 0.01 0.00 0.00 42.46 38.93 3bjk s ILE 73 CO 0.40 0.51 0.05 -0.44 0.00 0.00 0.00 174.94 175.46 3bjk s SER 74 N -1.33 5.23 0.32 3.58 0.01 -1.26 -0.77 113.70 119.48 3bjk s SER 74 Ca 0.19 -0.16 -0.29 0.00 1.31 0.00 0.00 55.95 57.00 3bjk s SER 74 Cb -0.12 -1.30 -0.12 0.00 0.21 0.00 0.00 66.02 64.68 3bjk s SER 74 CO 0.09 0.14 1.37 0.52 0.41 0.00 0.00 173.24 175.77 3bjk n VAL 75 N 0.21 1.64 -0.01 3.43 0.31 -1.26 -2.04 118.33 120.61 3bjk n VAL 75 Ca -0.09 -0.41 0.00 0.00 -0.01 0.00 0.00 64.34 63.82 3bjk n VAL 75 Cb 0.53 -1.64 0.00 0.00 -0.91 0.00 0.00 33.84 31.82 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 1.22 2.51 3.72 2.92 0.00 -0.51 -5.01 105.19 110.03 3bjk n GLY 76 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 3bjk n GLY 76 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3bjk n ASP 77 N 0.00 2.97 -4.72 1.61 8.00 -0.87 -4.64 116.55 118.91 3bjk n ASP 77 Ca 0.00 1.16 -0.42 0.00 0.71 0.00 0.00 54.79 56.25 3bjk n ASP 77 Cb 0.00 -1.53 -0.04 0.00 -0.02 0.00 0.00 41.12 39.53 3bjk n ASP 77 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3bjk s VAL 78 N -1.15 4.66 -0.14 2.53 1.01 -0.49 -1.48 120.40 125.35 3bjk s VAL 78 Ca 0.58 2.04 0.03 0.00 0.00 0.00 0.00 61.98 64.62 3bjk s VAL 78 Cb -0.51 -4.30 0.01 0.00 0.00 0.00 0.00 36.38 31.57 3bjk s VAL 78 CO 0.60 0.23 -0.22 -0.69 0.00 0.00 0.00 175.10 175.02 3bjk s VAL 79 N 0.55 2.05 0.05 2.92 1.01 -0.24 -1.25 120.40 125.47 3bjk s VAL 79 Ca 0.50 -0.97 0.09 0.00 0.00 0.00 0.00 61.98 61.59 3bjk s VAL 79 Cb -0.22 -1.81 -0.03 0.00 0.00 0.00 0.00 36.38 34.32 3bjk s VAL 79 CO 0.29 0.55 -0.25 0.00 0.00 0.00 0.00 175.10 175.69 3bjk s TYR 82 N 0.65 2.56 -0.02 0.00 1.51 0.51 -0.04 117.35 122.52 3bjk s TYR 82 Ca -0.08 -0.26 0.04 0.00 -1.01 0.00 0.00 57.07 55.77 3bjk s TYR 82 Cb -0.16 -1.48 -0.01 0.00 -0.11 0.00 0.00 41.96 40.21 3bjk s TYR 82 CO 0.02 0.24 -0.14 0.20 -1.11 0.00 0.00 175.55 174.76 3bjk s GLY 83 N -1.36 0.71 -0.17 0.71 0.00 0.04 -1.21 107.32 106.03 3bjk s GLY 83 Ca 0.14 -0.59 0.00 0.00 0.00 0.00 0.00 44.72 44.28 3bjk s GLY 83 CO 0.05 -0.43 -0.09 1.62 0.00 0.00 0.00 173.10 174.25 3bjk s GLN 84 N -0.20 1.80 -0.10 2.90 0.74 0.36 -0.75 119.66 124.40 3bjk s GLN 84 Ca 0.03 -0.64 -0.30 0.00 0.05 0.00 0.00 55.36 54.50 3bjk s GLN 84 Cb -0.07 -2.17 -0.03 0.00 1.10 0.00 0.00 33.01 31.85 3bjk s GLN 84 CO -0.00 -0.40 1.31 0.00 -0.55 0.00 0.00 175.29 175.65 3bjk n LEU 86 N 6.10 0.61 -3.62 0.00 4.77 0.41 -4.69 117.00 120.58 3bjk n LEU 86 Ca 0.13 0.28 -0.12 0.00 -0.03 0.00 0.00 56.01 56.28 3bjk n LEU 86 Cb 0.45 0.22 -0.07 0.00 -2.33 0.00 0.00 43.42 41.69 3bjk n LEU 86 CO 0.57 0.34 0.62 -0.75 -1.33 0.00 0.00 177.39 176.84 3bjk s LYS 87 N -2.70 0.66 -0.09 3.23 2.20 -1.19 -4.95 119.74 116.91 3bjk s LYS 87 Ca -0.06 0.64 0.00 0.00 -0.36 0.00 0.00 55.97 56.20 3bjk s LYS 87 Cb 0.08 0.32 0.02 0.00 -1.51 0.00 0.00 37.83 36.74 3bjk s LYS 87 CO 0.83 -0.11 -0.08 0.08 -0.36 0.00 0.00 175.35 175.71 3bjk s VAL 88 N 0.01 0.92 0.00 4.02 1.01 -1.26 -1.48 120.40 123.62 3bjk s VAL 88 Ca 0.01 -0.27 0.00 0.00 0.00 0.00 0.00 61.98 61.71 3bjk s VAL 88 Cb -0.04 -0.92 0.00 0.00 0.00 0.00 0.00 36.38 35.42 3bjk s VAL 88 CO -0.02 0.33 0.00 0.61 0.00 0.00 0.00 175.10 176.02 3bjk n GLY 89 N 4.54 0.97 0.11 4.51 0.00 0.12 -4.97 105.19 110.48 3bjk n GLY 89 Ca -0.16 -1.91 -0.10 0.00 0.00 0.00 0.00 46.02 43.84 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 0.27 0.00 1.61 2.43 -1.96 -3.39 114.38 113.35 3bjk h ARG 90 Ca 0.00 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 3bjk h ARG 90 Cb 0.00 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.49 3bjk h ARG 90 CO 0.00 0.23 -0.71 -1.13 -1.51 0.00 0.00 179.97 176.85 3bjk n SER 91 N -4.91 3.54 -4.88 -3.80 3.41 -1.26 -0.51 113.62 105.20 3bjk n SER 91 Ca -0.03 -0.14 -0.32 0.00 -0.26 0.00 0.00 58.87 58.12 3bjk n SER 91 Cb 0.06 0.98 -0.05 0.00 -0.26 0.00 0.00 64.21 64.93 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 -1.69 6.57 -0.06 4.04 1.04 -1.26 -0.61 113.70 121.73 3bjk s SER 92 Ca 0.00 0.79 -0.01 0.00 0.48 0.00 0.00 55.95 57.22 3bjk s SER 92 Cb 0.00 -2.17 0.03 0.00 0.10 0.00 0.00 66.02 63.97 3bjk s SER 92 CO 0.00 -0.03 -0.00 -0.63 0.98 0.00 0.00 173.24 173.56 3bjk s ILE 93 N -1.76 0.37 -0.21 -1.02 1.01 0.29 0.16 121.20 120.05 3bjk s ILE 93 Ca 0.45 0.09 -0.09 0.00 0.00 0.00 0.00 60.65 61.10 3bjk s ILE 93 Cb -0.12 -0.51 -0.04 0.00 0.01 0.00 0.00 42.46 41.81 3bjk s ILE 93 CO 0.23 0.24 0.10 -0.75 0.00 0.00 0.00 174.94 174.76 3bjk s LYS 94 N 1.71 4.01 -0.05 2.79 2.20 -0.55 -0.38 119.74 129.47 3bjk s LYS 94 Ca 0.01 -0.32 0.00 0.00 -0.36 0.00 0.00 55.97 55.30 3bjk s LYS 94 Cb -0.13 -3.35 0.03 0.00 -1.51 0.00 0.00 37.83 32.87 3bjk s LYS 94 CO -0.04 0.18 -0.02 0.42 -0.36 0.00 0.00 175.35 175.53 3bjk s ILE 95 N 0.67 0.39 -0.09 5.43 1.01 0.46 -0.44 121.20 128.63 3bjk s ILE 95 Ca 0.05 0.02 -0.23 0.00 0.00 0.00 0.00 60.65 60.48 3bjk s ILE 95 Cb -0.13 -0.49 -0.03 0.00 0.01 0.00 0.00 42.46 41.83 3bjk s ILE 95 CO 0.01 0.22 0.71 -0.75 0.00 0.00 0.00 174.94 175.14 3bjk s LYS 96 N 1.33 4.40 -0.15 2.79 2.20 -0.23 -0.39 119.74 129.68 3bjk s LYS 96 Ca -0.05 0.88 -0.01 0.00 -0.36 0.00 0.00 55.97 56.42 3bjk s LYS 96 Cb -0.13 -3.48 -0.02 0.00 -1.51 0.00 0.00 37.83 32.69 3bjk s LYS 96 CO -0.02 -0.02 -0.10 0.08 -0.36 0.00 0.00 175.35 174.92 3bjk s VAL 97 N 1.11 3.27 -0.07 4.02 1.01 0.18 -0.49 120.40 129.43 3bjk s VAL 97 Ca 0.37 -0.58 0.01 0.00 0.00 0.00 0.00 61.98 61.78 3bjk s VAL 97 Cb -0.17 -2.40 -0.03 0.00 0.00 0.00 0.00 36.38 33.78 3bjk s VAL 97 CO 0.17 0.51 -0.08 -1.61 0.00 0.00 0.00 175.10 174.08 3bjk s GLU 98 N 0.50 2.77 -0.20 2.72 2.02 -0.35 -0.96 118.70 125.19 3bjk s GLU 98 Ca -0.07 -0.57 -0.08 0.00 0.02 0.00 0.00 54.97 54.26 3bjk s GLU 98 Cb -0.15 -2.57 -0.04 0.00 0.10 0.00 0.00 34.13 31.46 3bjk s GLU 98 CO 0.04 0.63 0.09 0.08 0.02 0.00 0.00 175.26 176.12 3bjk s VAL 99 N -0.72 4.93 0.12 2.63 1.01 0.70 -0.36 120.40 128.71 3bjk s VAL 99 Ca 0.11 0.02 0.11 0.00 0.00 0.00 0.00 61.98 62.22 3bjk s VAL 99 Cb -0.11 -3.25 -0.04 0.00 0.00 0.00 0.00 36.38 32.98 3bjk s VAL 99 CO 0.01 0.42 -0.26 0.26 0.00 0.00 0.00 175.10 175.53 3bjk s TRP 100 N 0.65 2.23 0.10 5.22 0.52 0.47 -0.77 118.94 127.37 3bjk s TRP 100 Ca 0.05 -0.39 0.09 0.00 0.02 0.00 0.00 56.10 55.87 3bjk s TRP 100 Cb -0.13 -1.22 -0.04 0.00 -1.15 0.00 0.00 33.47 30.94 3bjk s TRP 100 CO 0.01 0.31 -0.19 0.14 0.02 0.00 0.00 176.95 177.24 3bjk s VAL 101 N -1.06 2.76 -0.06 4.03 -7.23 -0.41 -0.96 120.40 117.46 3bjk s VAL 101 Ca 0.13 -1.48 0.03 0.00 -1.81 0.00 0.00 61.98 58.86 3bjk s VAL 101 Cb -0.10 -2.24 0.00 0.00 0.56 0.00 0.00 36.38 34.61 3bjk s VAL 101 CO 0.06 0.14 -0.16 -0.75 -0.31 0.00 0.00 175.10 174.08 3bjk s LYS 102 N -2.00 1.87 -0.43 4.82 2.20 -0.38 -2.00 119.74 123.82 3bjk s LYS 102 Ca 0.17 -0.55 -0.25 0.00 -0.36 0.00 0.00 55.97 54.98 3bjk s LYS 102 Cb -0.10 -1.56 0.02 0.00 -1.51 0.00 0.00 37.83 34.68 3bjk s LYS 102 CO 0.09 0.14 0.88 0.15 -0.36 0.00 0.00 175.35 176.24 3bjk s LYS 103 N 0.34 3.57 -0.03 4.03 -0.14 -0.46 -1.39 119.74 125.66 3bjk s LYS 103 Ca -0.10 0.17 0.05 0.00 -1.36 0.00 0.00 55.97 54.74 3bjk s LYS 103 Cb -0.14 -3.90 -0.08 0.00 -1.68 0.00 0.00 37.83 32.03 3bjk s LYS 103 CO 0.04 -1.12 0.08 1.33 -0.76 0.00 0.00 175.35 174.92 3bjk n VAL 104 N 6.23 0.15 -2.49 3.17 0.24 -1.26 0.12 118.33 124.48 3bjk n VAL 104 Ca 0.05 -0.17 0.02 0.00 -2.04 0.00 0.00 64.34 62.20 3bjk n VAL 104 Cb 0.48 -0.14 0.02 0.00 -1.47 0.00 0.00 33.84 32.73 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 -1.91 2.56 -3.16 2.33 0.00 -1.26 -4.89 120.51 114.18 3bjk n ALA 105 Ca -0.04 -2.19 -0.11 0.00 0.00 0.00 0.00 53.44 51.11 3bjk n ALA 105 Cb 0.37 -0.71 -0.04 0.00 0.00 0.00 0.00 19.45 19.07 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 -2.11 -0.31 -0.02 0.00 1.04 -1.26 -5.06 113.70 105.99 3bjk s SER 106 Ca 0.29 -0.30 -0.05 0.00 0.48 0.00 0.00 55.95 56.37 3bjk s SER 106 Cb 0.34 0.53 -0.04 0.00 0.10 0.00 0.00 66.02 66.94 3bjk s SER 106 CO -0.13 -0.93 0.22 -1.61 0.98 0.00 0.00 173.24 171.77 3bjk s GLU 107 N -3.81 3.51 0.06 4.02 0.41 -1.26 -2.42 118.70 119.21 3bjk s GLU 107 Ca 0.04 -0.18 -0.28 0.00 -0.41 0.00 0.00 54.97 54.15 3bjk s GLU 107 Cb 0.01 -3.10 -0.05 0.00 -1.78 0.00 0.00 34.13 29.20 3bjk s GLU 107 CO -0.10 0.68 0.87 -1.25 -0.49 0.00 0.00 175.26 174.97 3bjk s PRO 108 N -1.73 4.59 0.61 0.39 0.04 -1.26 -5.08 135.00 132.56 3bjk s PRO 108 Ca 0.26 1.26 -0.19 0.00 0.04 0.00 0.00 61.00 62.37 3bjk s PRO 108 Cb -0.13 -3.38 -0.03 0.00 0.04 0.00 0.00 34.50 31.00 3bjk s PRO 108 CO 0.15 0.20 1.31 0.42 0.04 0.00 0.00 177.00 179.13 3bjk s ILE 109 N 0.14 2.07 0.00 0.56 1.01 -1.01 -2.97 121.20 120.99 3bjk s ILE 109 Ca 0.44 0.04 0.00 0.00 0.00 0.00 0.00 60.65 61.13 3bjk s ILE 109 Cb -0.22 -3.02 0.00 0.00 0.01 0.00 0.00 42.46 39.23 3bjk s ILE 109 CO 0.26 -0.01 0.00 0.61 0.00 0.00 0.00 174.94 175.81 3bjk n GLY 110 N 0.82 2.95 3.77 6.18 0.00 0.32 -4.98 105.19 114.25 3bjk n GLY 110 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.16 4.13 0.01 1.61 2.12 -1.16 -4.69 118.70 120.56 3bjk s GLU 111 Ca 0.00 2.55 0.06 0.00 0.36 0.00 0.00 54.97 57.93 3bjk s GLU 111 Cb 0.00 -3.00 -0.02 0.00 0.26 0.00 0.00 34.13 31.37 3bjk s GLU 111 CO 0.00 -0.55 -0.17 1.03 -0.54 0.00 0.00 175.26 175.03 3bjk s ARG 112 N -1.34 1.29 0.16 4.30 0.52 -1.26 -1.36 118.95 121.26 3bjk s ARG 112 Ca 0.57 -0.69 -0.24 0.00 -0.52 0.00 0.00 55.73 54.85 3bjk s ARG 112 Cb -0.47 -1.28 0.06 0.00 0.52 0.00 0.00 34.95 33.78 3bjk s ARG 112 CO 0.55 0.34 0.73 1.52 0.02 0.00 0.00 175.30 178.47 3bjk s TYR 113 N -0.55 -0.36 -0.09 -0.53 -0.85 -0.85 -4.98 117.35 109.14 3bjk s TYR 113 Ca 0.06 0.08 -0.26 0.00 -0.52 0.00 0.00 57.07 56.43 3bjk s TYR 113 Cb -0.07 0.61 -0.02 0.00 0.38 0.00 0.00 41.96 42.85 3bjk s TYR 113 CO 0.00 -0.89 0.85 0.00 -1.52 0.00 0.00 175.55 173.99 3bjk n VAL 115 N 4.23 0.27 -3.63 0.00 0.24 0.05 -4.59 118.33 114.90 3bjk n VAL 115 Ca 0.04 -0.40 -0.13 0.00 -2.04 0.00 0.00 64.34 61.80 3bjk n VAL 115 Cb 0.50 -0.07 -0.07 0.00 -1.47 0.00 0.00 33.84 32.73 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 -2.82 0.00 0.22 3.34 2.01 -1.20 -0.62 115.64 116.58 3bjk s THR 116 Ca -0.06 0.00 0.01 0.00 0.31 0.00 0.00 61.69 61.96 3bjk s THR 116 Cb 0.08 -1.00 -0.05 0.00 0.01 0.00 0.00 72.50 71.54 3bjk s THR 116 CO 0.59 0.00 0.06 1.51 -0.69 0.00 0.00 174.62 176.09 3bjk s ASP 117 N 0.42 1.13 0.02 3.53 1.47 -0.68 -0.22 116.67 122.34 3bjk s ASP 117 Ca -0.00 -1.30 -0.28 0.00 1.18 0.00 0.00 52.55 52.15 3bjk s ASP 117 Cb -0.05 0.16 0.10 0.00 -0.34 0.00 0.00 42.92 42.78 3bjk s ASP 117 CO -0.01 -0.67 0.83 0.00 0.68 0.00 0.00 175.17 176.00 3bjk s ALA 118 N -3.74 -1.78 -0.16 2.11 0.00 -0.13 -1.09 121.76 116.96 3bjk s ALA 118 Ca 0.32 0.96 0.00 0.00 0.00 0.00 0.00 51.96 53.25 3bjk s ALA 118 Cb 0.07 0.41 0.03 0.00 0.00 0.00 0.00 23.12 23.63 3bjk s ALA 118 CO 0.10 -0.66 -0.12 0.08 0.00 0.00 0.00 175.76 175.16 3bjk s VAL 119 N -3.02 1.53 0.00 0.00 1.01 -0.40 -0.64 120.40 118.88 3bjk s VAL 119 Ca 0.03 -0.74 -0.00 0.00 0.00 0.00 0.00 61.98 61.27 3bjk s VAL 119 Cb -0.01 -1.52 -0.04 0.00 0.00 0.00 0.00 36.38 34.82 3bjk s VAL 119 CO -0.08 0.33 0.09 -0.36 0.00 0.00 0.00 175.10 175.08 3bjk s PHE 120 N 1.48 3.30 -0.15 5.22 0.40 0.47 -2.59 117.98 126.11 3bjk s PHE 120 Ca 0.03 0.21 0.02 0.00 -0.60 0.00 0.00 56.93 56.58 3bjk s PHE 120 Cb -0.14 -1.73 0.01 0.00 0.51 0.00 0.00 43.02 41.67 3bjk s PHE 120 CO -0.10 0.56 -0.21 0.99 0.70 0.00 0.00 175.22 177.16 3bjk s THR 121 N -1.22 2.01 0.20 0.64 2.01 0.33 -0.40 115.64 119.21 3bjk s THR 121 Ca 0.24 -0.94 0.09 0.00 0.31 0.00 0.00 61.69 61.39 3bjk s THR 121 Cb -0.12 -1.80 -0.04 0.00 0.01 0.00 0.00 72.50 70.55 3bjk s THR 121 CO 0.15 0.54 -0.07 -0.36 -0.69 0.00 0.00 174.62 174.19 3bjk s PHE 122 N 1.01 2.66 -0.07 4.92 0.40 0.49 -1.10 117.98 126.28 3bjk s PHE 122 Ca -0.02 -0.22 0.03 0.00 -0.60 0.00 0.00 56.93 56.11 3bjk s PHE 122 Cb -0.15 -1.26 0.01 0.00 0.51 0.00 0.00 43.02 42.13 3bjk s PHE 122 CO -0.06 0.55 -0.14 0.08 0.70 0.00 0.00 175.22 176.34 3bjk s VAL 123 N -1.88 1.31 0.20 -0.44 1.01 -0.35 -0.55 120.40 119.71 3bjk s VAL 123 Ca 0.27 -0.58 -0.30 0.00 0.00 0.00 0.00 61.98 61.37 3bjk s VAL 123 Cb -0.08 -1.18 -0.08 0.00 0.00 0.00 0.00 36.38 35.04 3bjk s VAL 123 CO 0.17 0.39 1.24 0.00 0.00 0.00 0.00 175.10 176.90 3bjk s ALA 124 N 0.63 3.47 0.12 5.51 0.00 0.22 -0.82 121.76 130.90 3bjk s ALA 124 Ca -0.15 1.02 0.03 0.00 0.00 0.00 0.00 51.96 52.87 3bjk s ALA 124 Cb -0.16 -3.44 -0.04 0.00 0.00 0.00 0.00 23.12 19.48 3bjk s ALA 124 CO 0.04 -0.44 -0.09 0.14 0.00 0.00 0.00 175.76 175.42 3bjk s VAL 125 N -0.08 0.97 0.36 0.00 -7.23 -0.49 -0.66 120.40 113.28 3bjk s VAL 125 Ca 0.54 -1.99 -0.04 0.00 -1.81 0.00 0.00 61.98 58.68 3bjk s VAL 125 Cb -0.34 -1.76 0.08 0.00 0.56 0.00 0.00 36.38 34.92 3bjk s VAL 125 CO 0.38 -0.79 0.50 -0.90 -0.31 0.00 0.00 175.10 173.98 3bjk n ASP 126 N -0.10 0.25 0.25 4.85 5.68 0.03 -4.15 116.55 123.36 3bjk n ASP 126 Ca -0.11 -1.31 0.15 0.00 -0.50 0.00 0.00 54.79 53.02 3bjk n ASP 126 Cb 0.61 -0.36 0.85 0.00 -1.14 0.00 0.00 41.12 41.07 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 -0.54 0.00 0.21 -1.12 2.35 -1.98 -1.58 115.58 112.93 3bjk h ASN 127 Ca -0.16 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.59 3bjk h ASN 127 Cb 0.50 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.87 3bjk h ASN 127 CO 0.13 0.00 -0.20 0.59 -1.65 0.00 0.00 177.43 176.31 3bjk n ASN 128 N -3.93 1.02 0.00 5.81 3.02 -1.26 -4.95 115.26 114.98 3bjk n ASN 128 Ca -0.01 -0.94 0.00 0.00 -0.03 0.00 0.00 54.58 53.60 3bjk n ASN 128 Cb 0.19 0.09 0.00 0.00 -0.61 0.00 0.00 39.78 39.45 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 1.31 0.62 3.91 7.41 0.00 -0.59 -5.05 105.19 112.79 3bjk n GLY 129 Ca 0.14 -0.36 -0.31 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.82 3.52 0.34 1.61 0.52 -1.26 -4.78 118.95 118.07 3bjk s ARG 130 Ca 0.00 -0.28 -0.27 0.00 -0.52 0.00 0.00 55.73 54.66 3bjk s ARG 130 Cb 0.00 -2.94 -0.13 0.00 0.52 0.00 0.00 34.95 32.40 3bjk s ARG 130 CO 0.00 0.53 1.02 0.45 0.02 0.00 0.00 175.30 177.33 3bjk n SER 131 N 0.14 1.37 -4.13 0.23 2.88 -1.26 -0.79 113.62 112.05 3bjk n SER 131 Ca -0.04 1.13 -0.14 0.00 -1.33 0.00 0.00 58.87 58.50 3bjk n SER 131 Cb 0.51 -1.32 -0.11 0.00 -0.75 0.00 0.00 64.21 62.54 3bjk n SER 131 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3bjk s ARG 132 N -1.72 0.72 -0.06 -1.46 1.70 0.16 -4.66 118.95 113.64 3bjk s ARG 132 Ca 0.60 -1.01 -0.30 0.00 -0.47 0.00 0.00 55.73 54.55 3bjk s ARG 132 Cb -0.64 -0.43 -0.04 0.00 -0.57 0.00 0.00 34.95 33.27 3bjk s ARG 132 CO 0.59 0.07 1.28 0.99 -1.08 0.00 0.00 175.30 177.15 3bjk s THR 133 N -2.07 4.09 0.08 4.99 2.01 -1.26 -4.35 115.64 119.13 3bjk s THR 133 Ca -0.00 1.42 -0.31 0.00 0.31 0.00 0.00 61.69 63.10 3bjk s THR 133 Cb -0.05 -3.91 -0.10 0.00 0.01 0.00 0.00 72.50 68.44 3bjk s THR 133 CO -0.00 -0.03 1.88 -0.38 -0.69 0.00 0.00 174.62 175.40 3bjk n ILE 134 N 4.78 0.50 -2.06 1.82 5.41 0.33 -4.91 119.36 125.22 3bjk n ILE 134 Ca 0.12 -0.09 -0.42 0.00 1.00 0.00 0.00 62.75 63.37 3bjk n ILE 134 Cb 0.45 -2.15 -0.03 0.00 -0.71 0.00 0.00 39.64 37.21 3bjk n ILE 134 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 3bjk s PRO 135 N 3.30 4.29 -0.20 0.38 0.04 -1.26 -4.92 135.00 136.63 3bjk s PRO 135 Ca 0.85 2.23 0.04 0.00 0.04 0.00 0.00 61.00 64.16 3bjk s PRO 135 Cb -0.49 -3.16 -0.21 0.00 0.04 0.00 0.00 34.50 30.68 3bjk s PRO 135 CO 0.40 -0.44 0.03 0.54 0.04 0.00 0.00 177.00 177.57 3bjk n ARG 136 N 3.07 0.68 -1.93 4.56 5.12 -1.26 -4.63 116.66 122.28 3bjk n ARG 136 Ca 0.09 0.15 -0.42 0.00 -1.93 0.00 0.00 57.85 55.74 3bjk n ARG 136 Cb 0.41 -1.58 -0.03 0.00 -1.16 0.00 0.00 32.46 30.10 3bjk n ARG 136 CO 0.00 0.00 0.00 -2.00 -1.93 0.00 0.00 177.63 173.70 3bjk s GLU 137 N -2.53 4.21 -1.63 5.56 2.56 -1.26 -3.06 118.70 122.55 3bjk s GLU 137 Ca -0.25 2.36 -0.06 0.00 0.00 0.00 0.00 54.97 57.02 3bjk s GLU 137 Cb 0.08 -3.29 0.06 0.00 2.00 0.00 0.00 34.13 32.98 3bjk s GLU 137 CO 0.70 -0.65 0.18 -1.71 -0.56 0.00 0.00 175.26 173.23 3bjk n ASN 138 N 4.46 0.13 -4.24 -1.70 4.05 -1.26 -4.93 115.26 111.77 3bjk n ASN 138 Ca 0.14 -1.26 -0.43 0.00 0.45 0.00 0.00 54.58 53.49 3bjk n ASN 138 Cb 0.39 -1.68 -0.05 0.00 1.23 0.00 0.00 39.78 39.67 3bjk n ASN 138 CO 0.00 0.00 0.00 0.21 -3.05 0.00 0.00 177.26 174.42 3bjk s ASN 139 N -4.09 6.17 0.33 1.20 3.84 -1.17 -4.93 114.94 116.30 3bjk s ASN 139 Ca 0.22 -2.70 0.16 0.00 0.21 0.00 0.00 52.86 50.75 3bjk s ASN 139 Cb -0.13 -2.08 0.53 0.00 -0.55 0.00 0.00 41.25 39.03 3bjk s ASN 139 CO 1.00 -0.51 1.67 1.56 -2.79 0.00 0.00 177.10 178.03 3bjk h GLN 140 N 7.56 0.00 -0.13 0.43 4.20 -1.91 -0.59 115.11 124.67 3bjk h GLN 140 Ca 0.04 0.00 -0.19 0.00 0.06 0.00 0.00 58.65 58.56 3bjk h GLN 140 Cb 1.01 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.79 3bjk h GLN 140 CO 0.75 0.46 -0.71 0.93 -0.67 0.00 0.00 178.83 179.60 3bjk h GLU 141 N 0.00 0.56 -0.38 1.46 4.39 -1.92 -2.30 114.58 116.39 3bjk h GLU 141 Ca -0.00 -0.44 -0.08 0.00 0.34 0.00 0.00 59.36 59.18 3bjk h GLU 141 Cb 1.00 0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.72 3bjk h GLU 141 CO 0.06 1.06 -0.07 1.25 -1.16 0.00 0.00 179.01 180.15 3bjk h LEU 142 N 0.39 0.73 -0.31 1.33 5.85 -1.71 -2.42 115.31 119.18 3bjk h LEU 142 Ca -0.03 -0.35 0.01 0.00 0.84 0.00 0.00 57.88 58.35 3bjk h LEU 142 Cb 1.30 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 42.10 3bjk h LEU 142 CO 0.13 0.91 0.18 -0.08 -0.34 0.00 0.00 178.44 179.24 3bjk h GLU 143 N 0.54 0.35 -0.92 1.25 4.81 -1.12 -1.18 114.58 118.31 3bjk h GLU 143 Ca 0.10 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.31 3bjk h GLU 143 Cb 0.58 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 29.84 3bjk h GLU 143 CO 0.03 0.23 0.58 -0.22 -0.73 0.00 0.00 179.01 178.90 3bjk h LYS 144 N 0.36 1.23 -0.40 1.92 3.64 -1.41 -1.58 116.57 120.34 3bjk h LYS 144 Ca 0.12 -0.10 -0.07 0.00 -1.27 0.00 0.00 60.65 59.33 3bjk h LYS 144 Cb 0.01 -0.27 -0.01 0.00 -0.41 0.00 0.00 32.23 31.55 3bjk h LYS 144 CO -0.06 0.84 -0.04 0.00 -2.27 0.00 0.00 179.45 177.92 3bjk h ALA 145 N 1.32 0.54 -0.44 5.00 0.00 -1.00 -2.91 119.26 121.76 3bjk h ALA 145 Ca 0.33 -0.28 -0.11 0.00 0.00 0.00 0.00 54.91 54.85 3bjk h ALA 145 Cb -0.09 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 3bjk h ALA 145 CO -0.07 0.35 -0.19 -0.07 0.00 0.00 0.00 179.25 179.28 3bjk h LEU 146 N 0.55 0.86 -1.22 0.00 3.38 -1.04 -1.39 115.31 116.45 3bjk h LEU 146 Ca 0.11 -0.30 -0.01 0.00 0.09 0.00 0.00 57.88 57.76 3bjk h LEU 146 Cb 0.53 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.01 3bjk h LEU 146 CO 0.03 1.03 0.34 0.00 0.09 0.00 0.00 178.44 179.93 3bjk h ALA 147 N 1.03 1.40 -0.25 1.53 0.00 -1.27 0.11 119.26 121.82 3bjk h ALA 147 Ca 0.11 -0.10 -0.18 0.00 0.00 0.00 0.00 54.91 54.74 3bjk h ALA 147 Cb 0.71 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 3bjk h ALA 147 CO 0.05 0.49 -0.56 -0.07 0.00 0.00 0.00 179.25 179.17 3bjk h LEU 148 N 0.88 0.84 -0.64 0.00 3.38 -1.26 -3.07 115.31 115.44 3bjk h LEU 148 Ca 0.22 -0.46 -0.02 0.00 0.09 0.00 0.00 57.88 57.72 3bjk h LEU 148 Cb 0.04 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.52 3bjk h LEU 148 CO -0.04 1.23 0.34 0.40 0.09 0.00 0.00 178.44 180.46 3bjk h ILE 149 N 0.58 1.21 -1.04 1.22 2.04 -0.55 -2.50 117.51 118.48 3bjk h ILE 149 Ca 0.01 -0.55 0.30 0.00 1.00 0.00 0.00 64.86 65.62 3bjk h ILE 149 Cb 1.14 0.40 -0.05 0.00 -0.74 0.00 0.00 36.82 37.57 3bjk h ILE 149 CO 0.12 0.23 0.74 0.28 0.00 0.00 0.00 178.15 179.52 3bjk h SER 150 N 0.88 0.05 0.00 1.72 0.02 -0.71 -3.51 113.55 111.99 3bjk h SER 150 Ca 0.22 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.18 3bjk h SER 150 Cb 0.07 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.61 3bjk h SER 150 CO -0.03 0.01 0.00 -1.84 -1.14 0.00 0.00 176.83 173.83