#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 nan 4.29 0.19 1.61 3.52 -1.26 -5.02 118.95 nan 3bjk s ARG 11 Ca nan 2.28 0.09 0.00 -0.13 0.00 0.00 55.73 nan 3bjk s ARG 11 Cb nan -3.10 -0.04 0.00 -1.56 0.00 0.00 34.95 nan 3bjk s ARG 11 CO nan -0.36 -0.18 -0.65 -0.81 0.00 0.00 175.30 nan 3bjk s GLN 12 N -0.79 1.36 0.52 5.12 -0.21 -1.26 -5.01 119.66 119.39 3bjk s GLN 12 Ca 0.56 -1.52 -0.21 0.00 0.02 0.00 0.00 55.36 54.21 3bjk s GLN 12 Cb -0.41 -1.34 -0.06 0.00 1.00 0.00 0.00 33.01 32.20 3bjk s GLN 12 CO 0.46 0.26 1.24 -1.54 -2.12 0.00 0.00 175.29 173.59 3bjk s SER 13 N -2.99 5.62 -0.06 5.90 1.04 -1.26 -5.06 113.70 116.90 3bjk s SER 13 Ca 0.20 2.48 0.04 0.00 0.48 0.00 0.00 55.95 59.14 3bjk s SER 13 Cb -0.04 -2.61 -0.02 0.00 0.10 0.00 0.00 66.02 63.44 3bjk s SER 13 CO 0.08 -1.31 -0.15 -0.54 0.98 0.00 0.00 173.24 172.30 3bjk s LYS 14 N -2.93 2.59 0.00 4.02 1.02 -1.26 -5.08 119.74 118.10 3bjk s LYS 14 Ca 0.70 -0.72 0.00 0.00 0.02 0.00 0.00 55.97 55.97 3bjk s LYS 14 Cb -0.33 -2.37 0.00 0.00 -0.52 0.00 0.00 37.83 34.61 3bjk s LYS 14 CO 0.39 0.56 0.00 0.41 -0.92 0.00 0.00 175.35 175.78 3bjk n GLY 15 N 2.50 -0.19 3.92 -3.33 0.00 -1.26 -4.30 105.19 102.53 3bjk n GLY 15 Ca -0.17 -2.28 -0.27 0.00 0.00 0.00 0.00 46.02 43.30 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 -0.85 5.13 -0.14 1.61 -7.23 0.47 -4.72 120.40 114.68 3bjk s VAL 16 Ca 0.00 -0.25 -0.29 0.00 -1.81 0.00 0.00 61.98 59.62 3bjk s VAL 16 Cb 0.00 -3.76 -0.02 0.00 0.56 0.00 0.00 36.38 33.17 3bjk s VAL 16 CO 0.00 -0.30 1.17 -0.22 -0.31 0.00 0.00 175.10 175.44 3bjk s LEU 17 N -3.60 4.20 -0.21 1.32 2.96 -1.26 -1.10 118.68 121.00 3bjk s LEU 17 Ca 0.40 1.65 -0.15 0.00 -0.22 0.00 0.00 54.13 55.82 3bjk s LEU 17 Cb -0.11 -3.55 -0.19 0.00 0.50 0.00 0.00 46.19 42.85 3bjk s LEU 17 CO 0.31 -0.65 0.09 0.18 -1.32 0.00 0.00 176.35 174.96 3bjk n LEU 18 N 5.93 2.15 -3.73 -0.68 4.77 0.15 -4.93 117.00 120.65 3bjk n LEU 18 Ca 0.12 0.31 -0.14 0.00 -0.03 0.00 0.00 56.01 56.27 3bjk n LEU 18 Cb 0.46 -0.97 -0.08 0.00 -2.33 0.00 0.00 43.42 40.50 3bjk n LEU 18 CO 0.54 0.52 0.08 -0.76 -1.33 0.00 0.00 177.39 176.44 3bjk s LEU 19 N -7.50 0.65 -0.12 2.23 1.43 -1.12 -4.89 118.68 109.35 3bjk s LEU 19 Ca -0.30 0.21 -0.06 0.00 -1.03 0.00 0.00 54.13 52.94 3bjk s LEU 19 Cb 0.08 1.43 0.05 0.00 0.03 0.00 0.00 46.19 47.78 3bjk s LEU 19 CO 0.61 -0.45 0.29 -0.60 0.23 0.00 0.00 176.35 176.44 3bjk s ARG 20 N -1.21 0.25 0.34 1.70 3.52 -1.26 -0.74 118.95 121.56 3bjk s ARG 20 Ca -0.12 0.61 -0.13 0.00 -0.13 0.00 0.00 55.73 55.96 3bjk s ARG 20 Cb -0.04 -0.09 0.03 0.00 -1.56 0.00 0.00 34.95 33.29 3bjk s ARG 20 CO 0.05 -0.17 0.66 -0.08 -0.81 0.00 0.00 175.30 174.95 3bjk s THR 21 N 1.36 0.00 -0.12 4.11 -1.32 0.08 -5.00 115.64 114.76 3bjk s THR 21 Ca -0.09 -1.21 -0.02 0.00 -1.21 0.00 0.00 61.69 59.16 3bjk s THR 21 Cb -0.10 -2.59 -0.03 0.00 -1.51 0.00 0.00 72.50 68.27 3bjk s THR 21 CO -0.10 0.00 -0.03 -0.22 -2.21 0.00 0.00 174.62 172.07 3bjk s LEU 22 N -3.08 3.36 -0.08 9.08 2.96 -1.26 -0.43 118.68 129.22 3bjk s LEU 22 Ca 0.19 -0.02 -0.30 0.00 -0.22 0.00 0.00 54.13 53.79 3bjk s LEU 22 Cb -0.03 -1.78 -0.03 0.00 0.50 0.00 0.00 46.19 44.84 3bjk s LEU 22 CO 0.13 0.27 1.30 0.00 -1.32 0.00 0.00 176.35 176.72 3bjk s ALA 23 N -0.23 3.58 0.14 5.97 0.00 -0.50 -4.95 121.76 125.77 3bjk s ALA 23 Ca 0.04 0.65 0.06 0.00 0.00 0.00 0.00 51.96 52.71 3bjk s ALA 23 Cb -0.13 -3.58 -0.04 0.00 0.00 0.00 0.00 23.12 19.37 3bjk s ALA 23 CO 0.02 -0.97 0.02 -1.64 0.00 0.00 0.00 175.76 173.19 3bjk s MET 24 N 2.80 2.53 0.39 0.00 -1.94 -1.26 -0.50 119.30 121.32 3bjk s MET 24 Ca 0.59 -0.96 0.15 0.00 -1.71 0.00 0.00 55.69 53.76 3bjk s MET 24 Cb -0.26 -2.48 1.01 0.00 2.01 0.00 0.00 34.83 35.12 3bjk s MET 24 CO 0.21 0.50 1.82 -1.35 -0.01 0.00 0.00 175.02 176.19 3bjk h PRO 25 N 2.97 0.47 0.00 2.03 0.11 -1.97 -1.01 132.00 134.61 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 1.19 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.19 3bjk h PRO 25 CO 0.59 0.31 0.00 0.66 -0.21 0.00 0.00 178.00 179.36 3bjk h SER 26 N 0.49 0.00 -0.64 -2.05 4.64 -2.02 -2.63 113.55 111.33 3bjk h SER 26 Ca 0.51 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.67 3bjk h SER 26 Cb 1.17 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 63.16 3bjk h SER 26 CO -0.24 0.00 0.19 0.47 -0.87 0.00 0.00 176.83 176.38 3bjk n ASP 27 N -2.83 4.70 -4.94 4.97 8.00 -0.38 -4.98 116.55 121.09 3bjk n ASP 27 Ca -0.01 -3.21 -0.24 0.00 0.71 0.00 0.00 54.79 52.04 3bjk n ASP 27 Cb 0.15 -0.71 0.02 0.00 -0.02 0.00 0.00 41.12 40.56 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 -2.97 3.79 0.52 -3.53 -4.23 -0.99 -0.49 115.64 107.74 3bjk s THR 28 Ca 0.53 -0.28 0.06 0.00 -1.18 0.00 0.00 61.69 60.83 3bjk s THR 28 Cb 0.43 -3.45 0.06 0.00 1.34 0.00 0.00 72.50 70.88 3bjk s THR 28 CO 0.12 -0.38 0.52 -0.46 -0.54 0.00 0.00 174.62 173.88 3bjk n ASN 29 N -2.31 2.39 0.17 3.99 0.23 0.59 -4.51 115.26 115.80 3bjk n ASN 29 Ca 0.03 -2.64 0.11 0.00 -0.53 0.00 0.00 54.58 51.55 3bjk n ASN 29 Cb 0.58 -0.17 0.64 0.00 -2.08 0.00 0.00 39.78 38.75 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 0.48 2.13 0.00 -2.53 0.00 -2.00 -1.10 119.26 116.24 3bjk h ALA 30 Ca -0.30 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.61 3bjk h ALA 30 Cb 1.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.97 3bjk h ALA 30 CO 0.45 -0.17 0.00 -1.71 0.00 0.00 0.00 179.25 177.82 3bjk n ASN 31 N -4.49 0.39 0.00 0.00 5.15 -1.26 -4.91 115.26 110.14 3bjk n ASN 31 Ca 0.01 0.54 0.00 0.00 -0.60 0.00 0.00 54.58 54.54 3bjk n ASN 31 Cb 0.24 -0.65 0.00 0.00 -0.53 0.00 0.00 39.78 38.84 3bjk n ASN 31 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3bjk n GLY 32 N 1.17 0.51 3.90 8.20 0.00 -0.41 -5.07 105.19 113.49 3bjk n GLY 32 Ca 0.06 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.40 5.23 0.16 1.61 1.01 -1.26 -4.62 116.67 116.39 3bjk s ASP 33 Ca 0.00 0.91 -0.32 0.00 0.71 0.00 0.00 52.55 53.85 3bjk s ASP 33 Cb 0.00 -1.67 -0.10 0.00 1.01 0.00 0.00 42.92 42.16 3bjk s ASP 33 CO 0.00 -1.42 1.62 -0.63 0.21 0.00 0.00 175.17 174.95 3bjk s ILE 34 N -3.32 2.56 0.00 0.77 -1.09 -0.32 -0.30 121.20 119.50 3bjk s ILE 34 Ca 0.58 0.35 -0.35 0.00 -2.23 0.00 0.00 60.65 59.00 3bjk s ILE 34 Cb -0.11 -3.23 -0.14 0.00 -1.58 0.00 0.00 42.46 37.41 3bjk s ILE 34 CO 0.49 0.02 1.64 0.33 -1.23 0.00 0.00 174.94 176.20 3bjk n PHE 35 N 4.26 2.10 -0.31 3.97 7.35 0.36 -4.71 117.46 130.48 3bjk n PHE 35 Ca 0.15 0.30 0.20 0.00 -0.76 0.00 0.00 57.45 57.34 3bjk n PHE 35 Cb 0.38 -2.52 0.47 0.00 0.35 0.00 0.00 39.48 38.16 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 6.81 1.27 0.96 7.13 0.00 -1.93 -1.04 103.07 116.27 3bjk h GLY 36 Ca -0.47 -0.23 0.05 0.00 0.00 0.00 0.00 47.33 46.68 3bjk h GLY 36 CO 0.89 -0.10 0.56 -1.33 0.00 0.00 0.00 176.54 176.56 3bjk h GLY 37 N 0.46 1.21 0.96 4.60 0.00 -1.97 -0.52 103.07 107.82 3bjk h GLY 37 Ca 0.57 -0.39 -0.11 0.00 0.00 0.00 0.00 47.33 47.40 3bjk h GLY 37 CO -0.29 0.31 -0.22 -0.25 0.00 0.00 0.00 176.54 176.08 3bjk h TRP 38 N 0.98 0.83 -0.08 5.60 7.01 -1.54 -2.05 115.95 126.70 3bjk h TRP 38 Ca 0.36 -0.23 -0.00 0.00 2.11 0.00 0.00 58.89 61.13 3bjk h TRP 38 Cb 0.15 -0.18 -0.00 0.00 -2.10 0.00 0.00 29.16 27.02 3bjk h TRP 38 CO -0.00 0.95 0.05 0.82 -2.79 0.00 0.00 178.44 177.48 3bjk h ILE 39 N 0.47 1.05 -0.76 2.65 2.04 -1.22 -1.20 117.51 120.54 3bjk h ILE 39 Ca 0.06 -0.11 0.10 0.00 1.00 0.00 0.00 64.86 65.91 3bjk h ILE 39 Cb 0.77 0.97 -0.07 0.00 -0.74 0.00 0.00 36.82 37.75 3bjk h ILE 39 CO 0.06 0.04 0.40 0.24 0.00 0.00 0.00 178.15 178.89 3bjk h MET 40 N 0.09 0.64 -0.54 2.37 2.86 -1.08 -1.05 114.93 118.21 3bjk h MET 40 Ca 0.03 -0.04 -0.02 0.00 -2.06 0.00 0.00 59.70 57.62 3bjk h MET 40 Cb 0.02 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 31.51 3bjk h MET 40 CO -0.01 0.43 0.27 0.77 1.06 0.00 0.00 176.91 179.43 3bjk h SER 41 N 0.66 0.69 -0.22 1.22 0.02 -1.08 0.84 113.55 115.68 3bjk h SER 41 Ca 0.38 -0.12 -0.00 0.00 -0.84 0.00 0.00 61.79 61.21 3bjk h SER 41 Cb 0.40 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.75 3bjk h SER 41 CO -0.27 0.61 0.14 1.56 -1.14 0.00 0.00 176.83 177.73 3bjk h GLN 42 N 0.72 0.30 -0.68 3.45 1.08 -0.66 0.44 115.11 119.77 3bjk h GLN 42 Ca 0.19 -0.02 0.03 0.00 -1.45 0.00 0.00 58.65 57.39 3bjk h GLN 42 Cb 0.09 -0.06 -0.04 0.00 -0.05 0.00 0.00 27.48 27.41 3bjk h GLN 42 CO -0.03 0.23 0.42 0.52 -0.95 0.00 0.00 178.83 179.03 3bjk h MET 43 N 0.29 0.81 -0.25 1.46 2.86 -1.03 0.09 114.93 119.15 3bjk h MET 43 Ca 0.08 -0.05 -0.00 0.00 -2.06 0.00 0.00 59.70 57.67 3bjk h MET 43 Cb 0.00 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 31.47 3bjk h MET 43 CO -0.02 0.54 0.15 0.00 1.06 0.00 0.00 176.91 178.64 3bjk h ALA 44 N 1.29 0.32 -0.19 6.32 0.00 -0.49 0.91 119.26 127.41 3bjk h ALA 44 Ca 0.27 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 3bjk h ALA 44 Cb 0.01 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3bjk h ALA 44 CO -0.10 -0.18 0.02 1.98 0.00 0.00 0.00 179.25 180.97 3bjk h MET 45 N 0.32 0.32 0.39 0.00 -1.53 -0.72 -1.55 114.93 112.14 3bjk h MET 45 Ca 0.09 -0.09 -0.02 0.00 -3.44 0.00 0.00 59.70 56.24 3bjk h MET 45 Cb 0.01 -0.04 0.00 0.00 -0.55 0.00 0.00 31.60 31.03 3bjk h MET 45 CO -0.02 0.49 -0.19 0.78 0.14 0.00 0.00 176.91 178.12 3bjk h GLY 46 N 0.10 -0.54 0.19 1.39 0.00 -0.90 -2.10 103.07 101.21 3bjk h GLY 46 Ca 0.06 0.20 0.15 0.00 0.00 0.00 0.00 47.33 47.74 3bjk h GLY 46 CO 0.01 -0.20 0.42 -1.33 0.00 0.00 0.00 176.54 175.44 3bjk h GLY 47 N -0.57 1.37 1.45 4.60 0.00 -0.87 -2.17 103.07 106.89 3bjk h GLY 47 Ca -0.05 -0.24 -0.06 0.00 0.00 0.00 0.00 47.33 46.98 3bjk h GLY 47 CO 0.09 -0.06 0.03 0.00 0.00 0.00 0.00 176.54 176.60 3bjk h ALA 48 N 1.57 1.25 -0.05 3.60 0.00 -1.11 -1.64 119.26 122.87 3bjk h ALA 48 Ca 0.47 -0.22 0.02 0.00 0.00 0.00 0.00 54.91 55.17 3bjk h ALA 48 Cb 0.68 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 3bjk h ALA 48 CO -0.38 0.51 -0.07 0.82 0.00 0.00 0.00 179.25 180.13 3bjk h ILE 49 N 0.65 0.79 -0.54 0.00 2.04 -0.71 0.31 117.51 120.07 3bjk h ILE 49 Ca 0.14 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.96 3bjk h ILE 49 Cb 0.36 0.79 -0.02 0.00 -0.74 0.00 0.00 36.82 37.21 3bjk h ILE 49 CO 0.01 0.00 0.18 0.25 0.00 0.00 0.00 178.15 178.59 3bjk h LEU 50 N -0.10 0.77 -0.40 1.44 6.46 -1.39 -0.79 115.31 121.29 3bjk h LEU 50 Ca 0.05 -0.20 0.02 0.00 -0.12 0.00 0.00 57.88 57.64 3bjk h LEU 50 Cb 0.17 -0.20 -0.03 0.00 -0.73 0.00 0.00 40.66 39.87 3bjk h LEU 50 CO -0.12 0.76 0.22 0.00 -0.62 0.00 0.00 178.44 178.68 3bjk h ALA 51 N 1.04 0.50 -0.43 1.25 0.00 -1.07 -1.72 119.26 118.83 3bjk h ALA 51 Ca 0.17 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.04 3bjk h ALA 51 Cb 0.26 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 3bjk h ALA 51 CO -0.01 -0.13 0.06 0.87 0.00 0.00 0.00 179.25 180.04 3bjk h LYS 52 N 0.44 0.66 -0.15 0.00 1.57 -0.03 0.12 116.57 119.18 3bjk h LYS 52 Ca 0.17 -0.14 0.01 0.00 -1.87 0.00 0.00 60.65 58.82 3bjk h LYS 52 Cb 0.04 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.24 3bjk h LYS 52 CO -0.10 0.64 0.06 0.93 -0.57 0.00 0.00 179.45 180.42 3bjk h GLU 53 N 0.63 0.14 -0.32 3.15 5.08 -0.71 -0.51 114.58 122.04 3bjk h GLU 53 Ca 0.14 -0.01 -0.10 0.00 -1.00 0.00 0.00 59.36 58.39 3bjk h GLU 53 Cb 0.31 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 3bjk h GLU 53 CO 0.01 0.09 -0.18 0.82 -1.00 0.00 0.00 179.01 178.75 3bjk h ILE 54 N 0.15 1.29 0.00 3.13 2.04 -1.03 -3.08 117.51 120.00 3bjk h ILE 54 Ca 0.06 -1.29 0.00 0.00 1.00 0.00 0.00 64.86 64.63 3bjk h ILE 54 Cb 0.02 1.44 0.00 0.00 -0.74 0.00 0.00 36.82 37.54 3bjk h ILE 54 CO -0.05 0.42 0.00 0.00 0.00 0.00 0.00 178.15 178.52 3bjk n ALA 55 N -2.46 2.06 -3.53 1.87 0.00 0.40 -4.43 120.51 114.42 3bjk n ALA 55 Ca -0.03 0.01 -0.23 0.00 0.00 0.00 0.00 53.44 53.19 3bjk n ALA 55 Cb 0.40 -1.43 0.08 0.00 0.00 0.00 0.00 19.45 18.49 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 -2.17 -2.72 -3.24 0.00 8.25 -0.24 -4.43 115.22 110.66 3bjk n HIS 56 Ca 0.04 0.96 0.00 0.00 -0.26 0.00 0.00 57.72 58.46 3bjk n HIS 56 Cb 0.35 -4.81 0.00 0.00 1.12 0.00 0.00 29.99 26.64 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 -1.92 -0.35 3.74 -1.41 0.00 -0.94 -5.04 105.19 99.26 3bjk n GLY 57 Ca 0.01 -1.28 -0.38 0.00 0.00 0.00 0.00 46.02 44.37 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 2.88 0.10 1.61 0.52 -1.26 -4.38 118.95 116.43 3bjk s ARG 58 Ca 0.00 2.19 0.01 0.00 -0.52 0.00 0.00 55.73 57.40 3bjk s ARG 58 Cb 0.00 -2.09 -0.04 0.00 0.52 0.00 0.00 34.95 33.34 3bjk s ARG 58 CO 0.00 -1.38 -0.03 0.14 0.02 0.00 0.00 175.30 174.06 3bjk s VAL 59 N -1.33 0.48 0.12 3.52 -7.23 -1.26 -1.92 120.40 112.78 3bjk s VAL 59 Ca 0.76 -1.91 0.09 0.00 -1.81 0.00 0.00 61.98 59.12 3bjk s VAL 59 Cb -0.40 -1.77 -0.04 0.00 0.56 0.00 0.00 36.38 34.74 3bjk s VAL 59 CO 0.45 -0.78 -0.23 0.68 -0.31 0.00 0.00 175.10 174.91 3bjk s VAL 60 N -3.77 1.91 -0.01 1.32 -7.23 0.12 -4.86 120.40 107.88 3bjk s VAL 60 Ca 0.14 -1.64 -0.30 0.00 -1.81 0.00 0.00 61.98 58.38 3bjk s VAL 60 Cb 0.06 -1.72 -0.03 0.00 0.56 0.00 0.00 36.38 35.25 3bjk s VAL 60 CO -0.04 -0.02 1.05 -0.89 -0.31 0.00 0.00 175.10 174.89 3bjk s THR 61 N -1.17 4.63 -0.09 5.32 2.01 -1.26 -0.12 115.64 124.94 3bjk s THR 61 Ca 0.10 1.89 0.11 0.00 0.31 0.00 0.00 61.69 64.09 3bjk s THR 61 Cb -0.10 -4.21 -0.15 0.00 0.01 0.00 0.00 72.50 68.04 3bjk s THR 61 CO 0.05 0.10 0.09 1.33 -0.69 0.00 0.00 174.62 175.50 3bjk n VAL 62 N 4.11 0.62 -3.67 3.82 0.24 -0.11 -4.92 118.33 118.42 3bjk n VAL 62 Ca 0.08 -0.45 -0.14 0.00 -2.04 0.00 0.00 64.34 61.79 3bjk n VAL 62 Cb 0.49 -0.49 -0.07 0.00 -1.47 0.00 0.00 33.84 32.30 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 -2.41 -1.07 -0.32 2.33 0.00 -1.10 -5.02 121.76 114.16 3bjk s ALA 63 Ca -0.05 0.50 -0.00 0.00 0.00 0.00 0.00 51.96 52.40 3bjk s ALA 63 Cb 0.04 0.19 0.10 0.00 0.00 0.00 0.00 23.12 23.46 3bjk s ALA 63 CO 0.49 -0.37 0.11 0.08 0.00 0.00 0.00 175.76 176.06 3bjk s VAL 64 N -1.84 1.03 0.21 0.00 1.01 -1.26 -0.68 120.40 118.87 3bjk s VAL 64 Ca -0.09 -1.58 0.19 0.00 0.00 0.00 0.00 61.98 60.50 3bjk s VAL 64 Cb -0.02 -1.78 0.14 0.00 0.00 0.00 0.00 36.38 34.72 3bjk s VAL 64 CO 0.02 -0.69 1.77 1.05 0.00 0.00 0.00 175.10 177.25 3bjk h GLU 65 N 7.93 0.00 -2.79 2.72 4.11 -1.78 -3.45 114.58 121.32 3bjk h GLU 65 Ca -0.12 0.00 -0.11 0.00 0.07 0.00 0.00 59.36 59.20 3bjk h GLU 65 Cb 1.01 0.00 -0.22 0.00 0.50 0.00 0.00 28.75 30.04 3bjk h GLU 65 CO 0.47 0.36 -0.21 -1.54 0.07 0.00 0.00 179.01 178.16 3bjk s SER 66 N -6.48 -0.36 -0.02 3.06 1.04 -1.25 -5.01 113.70 104.68 3bjk s SER 66 Ca -0.01 0.55 -0.04 0.00 0.48 0.00 0.00 55.95 56.94 3bjk s SER 66 Cb 0.12 0.62 0.00 0.00 0.10 0.00 0.00 66.02 66.86 3bjk s SER 66 CO 0.68 -0.29 0.08 -0.04 0.98 0.00 0.00 173.24 174.65 3bjk s MET 67 N -0.46 0.23 -0.10 4.02 -1.94 -1.26 -1.68 119.30 118.11 3bjk s MET 67 Ca -0.06 -0.12 0.01 0.00 -1.71 0.00 0.00 55.69 53.81 3bjk s MET 67 Cb -0.03 0.10 0.02 0.00 2.01 0.00 0.00 34.83 36.92 3bjk s MET 67 CO 0.03 -0.04 -0.09 -0.80 -0.01 0.00 0.00 175.02 174.10 3bjk s ASN 68 N -0.55 2.06 -0.48 3.03 0.01 -0.53 -4.99 114.94 113.49 3bjk s ASN 68 Ca -0.06 -0.31 -0.18 0.00 -0.71 0.00 0.00 52.86 51.60 3bjk s ASN 68 Cb -0.04 -0.85 0.06 0.00 0.41 0.00 0.00 41.25 40.83 3bjk s ASN 68 CO 0.00 -0.07 0.52 -0.36 -1.51 0.00 0.00 177.10 175.68 3bjk s PHE 69 N 1.35 3.13 -0.21 2.20 0.08 -1.26 -1.59 117.98 121.68 3bjk s PHE 69 Ca -0.02 -0.62 -0.15 0.00 0.12 0.00 0.00 56.93 56.26 3bjk s PHE 69 Cb -0.14 -3.29 -0.19 0.00 -0.57 0.00 0.00 43.02 38.83 3bjk s PHE 69 CO -0.04 -0.89 0.10 -0.89 -0.10 0.00 0.00 175.22 173.40 3bjk n ILE 70 N 5.45 1.59 -4.00 0.64 5.41 0.12 -4.99 119.36 123.59 3bjk n ILE 70 Ca -0.08 -0.29 -0.10 0.00 1.00 0.00 0.00 62.75 63.27 3bjk n ILE 70 Cb 0.45 -1.88 -0.11 0.00 -0.71 0.00 0.00 39.64 37.39 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 -2.45 0.37 0.62 0.38 1.02 -0.66 -5.03 119.74 113.99 3bjk s LYS 71 Ca -0.30 -0.65 -0.15 0.00 0.02 0.00 0.00 55.97 54.89 3bjk s LYS 71 Cb 0.08 -0.01 -0.02 0.00 -0.52 0.00 0.00 37.83 37.37 3bjk s LYS 71 CO 0.62 -0.02 1.09 -1.25 -0.92 0.00 0.00 175.35 174.86 3bjk s PRO 72 N -1.49 3.07 -0.10 -1.68 0.04 -1.26 -4.71 135.00 128.87 3bjk s PRO 72 Ca -0.14 1.31 -0.05 0.00 0.04 0.00 0.00 61.00 62.15 3bjk s PRO 72 Cb -0.10 -1.99 -0.04 0.00 0.04 0.00 0.00 34.50 32.41 3bjk s PRO 72 CO -0.01 -1.03 0.11 0.42 0.04 0.00 0.00 177.00 176.53 3bjk s ILE 73 N -2.37 5.19 0.11 0.56 1.01 -1.26 -5.02 121.20 119.41 3bjk s ILE 73 Ca 0.66 0.06 0.03 0.00 0.00 0.00 0.00 60.65 61.39 3bjk s ILE 73 Cb -0.18 -3.26 -0.04 0.00 0.01 0.00 0.00 42.46 38.99 3bjk s ILE 73 CO 0.39 0.59 0.13 -0.44 0.00 0.00 0.00 174.94 175.61 3bjk s SER 74 N -1.07 5.70 0.20 3.58 0.01 -1.26 -1.18 113.70 119.68 3bjk s SER 74 Ca 0.16 0.01 -0.32 0.00 1.31 0.00 0.00 55.95 57.10 3bjk s SER 74 Cb -0.12 -1.57 -0.14 0.00 0.21 0.00 0.00 66.02 64.40 3bjk s SER 74 CO 0.05 0.13 1.38 0.52 0.41 0.00 0.00 173.24 175.73 3bjk n VAL 75 N 0.13 0.69 0.00 3.43 0.31 -1.26 -2.02 118.33 119.61 3bjk n VAL 75 Ca -0.08 -0.17 0.00 0.00 -0.01 0.00 0.00 64.34 64.08 3bjk n VAL 75 Cb 0.53 -1.29 0.00 0.00 -0.91 0.00 0.00 33.84 32.16 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 2.37 1.65 3.77 2.92 0.00 0.35 -5.00 105.19 111.25 3bjk n GLY 76 Ca 0.14 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.66 6.31 0.01 1.61 1.01 -0.86 -4.65 116.67 117.45 3bjk s ASP 77 Ca 0.00 2.54 -0.28 0.00 0.71 0.00 0.00 52.55 55.52 3bjk s ASP 77 Cb 0.00 -2.63 -0.04 0.00 1.01 0.00 0.00 42.92 41.26 3bjk s ASP 77 CO 0.00 -0.84 0.88 -0.69 0.21 0.00 0.00 175.17 174.74 3bjk s VAL 78 N -1.33 4.84 -0.19 -1.27 1.01 -0.64 -1.41 120.40 121.42 3bjk s VAL 78 Ca 0.58 1.86 0.01 0.00 0.00 0.00 0.00 61.98 64.43 3bjk s VAL 78 Cb -0.35 -4.23 0.02 0.00 0.00 0.00 0.00 36.38 31.82 3bjk s VAL 78 CO 0.45 0.23 -0.19 -0.69 0.00 0.00 0.00 175.10 174.90 3bjk s VAL 79 N 0.66 2.12 0.02 2.92 1.01 0.42 -1.00 120.40 126.55 3bjk s VAL 79 Ca 0.46 -0.96 0.05 0.00 0.00 0.00 0.00 61.98 61.53 3bjk s VAL 79 Cb -0.21 -1.91 -0.03 0.00 0.00 0.00 0.00 36.38 34.23 3bjk s VAL 79 CO 0.25 0.50 -0.13 0.00 0.00 0.00 0.00 175.10 175.73 3bjk s TYR 82 N 0.85 2.74 -0.02 0.00 1.51 0.53 0.30 117.35 123.27 3bjk s TYR 82 Ca -0.06 -0.13 0.06 0.00 -1.01 0.00 0.00 57.07 55.93 3bjk s TYR 82 Cb -0.15 -1.58 -0.01 0.00 -0.11 0.00 0.00 41.96 40.10 3bjk s TYR 82 CO -0.02 0.28 -0.20 0.20 -1.11 0.00 0.00 175.55 174.70 3bjk s GLY 83 N -1.18 0.98 -0.16 0.71 0.00 -0.26 -0.87 107.32 106.55 3bjk s GLY 83 Ca 0.14 -0.85 -0.01 0.00 0.00 0.00 0.00 44.72 44.01 3bjk s GLY 83 CO 0.04 -0.69 -0.05 1.62 0.00 0.00 0.00 173.10 174.02 3bjk s GLN 84 N -0.42 1.43 -0.03 2.90 0.74 -0.02 -0.39 119.66 123.86 3bjk s GLN 84 Ca 0.07 -0.46 -0.30 0.00 0.05 0.00 0.00 55.36 54.71 3bjk s GLN 84 Cb -0.08 -1.93 -0.04 0.00 1.10 0.00 0.00 33.01 32.06 3bjk s GLN 84 CO -0.00 -0.40 1.24 0.00 -0.55 0.00 0.00 175.29 175.57 3bjk n LEU 86 N 5.08 0.40 -3.64 0.00 4.77 0.07 -4.68 117.00 118.99 3bjk n LEU 86 Ca 0.11 0.19 -0.07 0.00 -0.03 0.00 0.00 56.01 56.21 3bjk n LEU 86 Cb 0.46 0.30 -0.07 0.00 -2.33 0.00 0.00 43.42 41.78 3bjk n LEU 86 CO 0.56 0.38 0.79 -0.75 -1.33 0.00 0.00 177.39 177.04 3bjk s LYS 87 N -2.65 0.42 -0.09 3.23 2.20 -1.22 -4.97 119.74 116.65 3bjk s LYS 87 Ca -0.07 0.53 0.01 0.00 -0.36 0.00 0.00 55.97 56.08 3bjk s LYS 87 Cb 0.08 0.19 0.02 0.00 -1.51 0.00 0.00 37.83 36.60 3bjk s LYS 87 CO 0.83 -0.05 -0.11 0.08 -0.36 0.00 0.00 175.35 175.73 3bjk s VAL 88 N 0.36 1.20 0.00 4.02 1.01 -1.26 -0.75 120.40 124.98 3bjk s VAL 88 Ca 0.02 -0.46 0.00 0.00 0.00 0.00 0.00 61.98 61.54 3bjk s VAL 88 Cb -0.05 -1.13 0.00 0.00 0.00 0.00 0.00 36.38 35.20 3bjk s VAL 88 CO -0.09 0.38 0.00 0.61 0.00 0.00 0.00 175.10 176.00 3bjk n GLY 89 N 4.30 1.59 0.38 4.51 0.00 0.16 -4.95 105.19 111.17 3bjk n GLY 89 Ca -0.19 -2.02 -0.00 0.00 0.00 0.00 0.00 46.02 43.81 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 1.24 0.00 1.61 2.43 -1.97 -3.38 114.38 114.31 3bjk h ARG 90 Ca 0.00 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 3bjk h ARG 90 Cb 0.00 -0.28 0.00 0.00 -0.42 0.00 0.00 29.97 29.27 3bjk h ARG 90 CO 0.00 0.82 -0.42 -1.13 -1.51 0.00 0.00 179.97 177.73 3bjk n SER 91 N -4.42 2.10 -4.90 -3.80 3.41 -1.26 -0.90 113.62 103.85 3bjk n SER 91 Ca 0.13 0.00 -0.30 0.00 -0.26 0.00 0.00 58.87 58.44 3bjk n SER 91 Cb 0.07 0.42 -0.04 0.00 -0.26 0.00 0.00 64.21 64.39 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 -0.86 6.49 -0.05 4.04 1.04 -1.26 -1.41 113.70 121.70 3bjk s SER 92 Ca 0.00 0.71 -0.01 0.00 0.48 0.00 0.00 55.95 57.14 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 0.00 -0.11 0.00 -0.63 0.98 0.00 0.00 173.24 173.49 3bjk s ILE 93 N -1.93 0.25 -0.18 -1.02 1.01 -0.04 0.38 121.20 119.68 3bjk s ILE 93 Ca 0.44 0.13 -0.05 0.00 0.00 0.00 0.00 60.65 61.17 3bjk s ILE 93 Cb -0.11 -0.39 -0.03 0.00 0.01 0.00 0.00 42.46 41.94 3bjk s ILE 93 CO 0.27 0.20 -0.01 -0.75 0.00 0.00 0.00 174.94 174.65 3bjk s LYS 94 N 1.55 3.68 -0.06 2.79 2.20 0.07 -0.88 119.74 129.09 3bjk s LYS 94 Ca -0.02 -0.50 0.00 0.00 -0.36 0.00 0.00 55.97 55.09 3bjk s LYS 94 Cb -0.13 -3.01 0.02 0.00 -1.51 0.00 0.00 37.83 33.21 3bjk s LYS 94 CO -0.03 0.15 -0.05 0.42 -0.36 0.00 0.00 175.35 175.48 3bjk s ILE 95 N 0.61 0.65 -0.13 5.43 1.01 0.26 -0.75 121.20 128.29 3bjk s ILE 95 Ca -0.01 -0.14 -0.24 0.00 0.00 0.00 0.00 60.65 60.26 3bjk s ILE 95 Cb -0.14 -0.69 -0.03 0.00 0.01 0.00 0.00 42.46 41.61 3bjk s ILE 95 CO 0.02 0.27 0.74 -0.75 0.00 0.00 0.00 174.94 175.22 3bjk s LYS 96 N 1.22 4.35 -0.15 2.79 2.20 0.09 -0.80 119.74 129.43 3bjk s LYS 96 Ca -0.06 0.88 -0.02 0.00 -0.36 0.00 0.00 55.97 56.41 3bjk s LYS 96 Cb -0.14 -3.52 -0.02 0.00 -1.51 0.00 0.00 37.83 32.65 3bjk s LYS 96 CO -0.02 -0.13 -0.08 0.08 -0.36 0.00 0.00 175.35 174.85 3bjk s VAL 97 N 1.48 3.50 -0.10 4.02 1.01 0.13 -0.84 120.40 129.60 3bjk s VAL 97 Ca 0.36 -0.49 0.01 0.00 0.00 0.00 0.00 61.98 61.86 3bjk s VAL 97 Cb -0.17 -2.52 -0.02 0.00 0.00 0.00 0.00 36.38 33.67 3bjk s VAL 97 CO 0.15 0.50 -0.13 -1.61 0.00 0.00 0.00 175.10 174.01 3bjk s GLU 98 N 0.46 3.06 -0.24 2.72 2.02 -0.05 -1.17 118.70 125.50 3bjk s GLU 98 Ca -0.06 -0.67 -0.11 0.00 0.02 0.00 0.00 54.97 54.15 3bjk s GLU 98 Cb -0.15 -2.56 -0.05 0.00 0.10 0.00 0.00 34.13 31.48 3bjk s GLU 98 CO 0.04 0.39 0.17 0.08 0.02 0.00 0.00 175.26 175.95 3bjk s VAL 99 N -0.10 5.35 0.04 2.63 1.01 0.12 -0.34 120.40 129.12 3bjk s VAL 99 Ca -0.01 0.20 0.07 0.00 0.00 0.00 0.00 61.98 62.24 3bjk s VAL 99 Cb -0.14 -3.51 -0.03 0.00 0.00 0.00 0.00 36.38 32.70 3bjk s VAL 99 CO 0.04 0.33 -0.21 0.26 0.00 0.00 0.00 175.10 175.51 3bjk s TRP 100 N 1.15 1.87 0.07 5.22 0.52 0.02 -0.10 118.94 127.68 3bjk s TRP 100 Ca 0.08 -0.38 0.06 0.00 0.02 0.00 0.00 56.10 55.88 3bjk s TRP 100 Cb -0.14 -1.11 -0.04 0.00 -1.15 0.00 0.00 33.47 31.03 3bjk s TRP 100 CO 0.05 0.10 -0.10 0.08 0.02 0.00 0.00 176.95 177.10 3bjk s VAL 101 N -0.80 3.36 -0.10 4.03 1.01 -0.61 -0.46 120.40 126.83 3bjk s VAL 101 Ca 0.08 -1.13 0.02 0.00 0.00 0.00 0.00 61.98 60.95 3bjk s VAL 101 Cb -0.09 -2.52 0.01 0.00 0.00 0.00 0.00 36.38 33.78 3bjk s VAL 101 CO 0.02 0.21 -0.16 -0.75 0.00 0.00 0.00 175.10 174.42 3bjk s LYS 102 N -1.90 2.27 -0.38 2.72 2.20 -0.17 -2.27 119.74 122.21 3bjk s LYS 102 Ca 0.19 -0.59 -0.27 0.00 -0.36 0.00 0.00 55.97 54.94 3bjk s LYS 102 Cb -0.11 -1.88 0.02 0.00 -1.51 0.00 0.00 37.83 34.35 3bjk s LYS 102 CO 0.11 -0.01 1.00 0.15 -0.36 0.00 0.00 175.35 176.24 3bjk s LYS 103 N 0.82 3.86 -0.03 4.03 -0.14 -0.35 -1.62 119.74 126.31 3bjk s LYS 103 Ca -0.10 0.68 0.05 0.00 -1.36 0.00 0.00 55.97 55.23 3bjk s LYS 103 Cb -0.16 -3.81 -0.07 0.00 -1.68 0.00 0.00 37.83 32.12 3bjk s LYS 103 CO 0.01 -1.03 0.06 1.33 -0.76 0.00 0.00 175.35 174.96 3bjk n VAL 104 N 6.12 0.20 -1.34 3.17 0.24 -1.26 0.18 118.33 125.64 3bjk n VAL 104 Ca 0.09 -0.17 0.01 0.00 -2.04 0.00 0.00 64.34 62.23 3bjk n VAL 104 Cb 0.48 -0.36 0.01 0.00 -1.47 0.00 0.00 33.84 32.49 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 -1.98 1.54 -2.42 2.33 0.00 -1.26 -4.88 120.51 113.84 3bjk n ALA 105 Ca -0.05 -0.86 -0.21 0.00 0.00 0.00 0.00 53.44 52.33 3bjk n ALA 105 Cb 0.45 -0.22 -0.10 0.00 0.00 0.00 0.00 19.45 19.57 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 -0.63 2.59 0.09 0.00 1.04 -1.26 -5.11 113.70 110.41 3bjk s SER 106 Ca 0.02 -1.23 -0.09 0.00 0.48 0.00 0.00 55.95 55.13 3bjk s SER 106 Cb 0.02 -0.13 -0.06 0.00 0.10 0.00 0.00 66.02 65.94 3bjk s SER 106 CO 0.00 -0.41 0.39 -1.61 0.98 0.00 0.00 173.24 172.59 3bjk s GLU 107 N -3.77 3.72 0.06 4.02 0.41 -1.26 -3.35 118.70 118.53 3bjk s GLU 107 Ca 0.30 0.11 -0.25 0.00 -0.41 0.00 0.00 54.97 54.72 3bjk s GLU 107 Cb 0.05 -2.96 -0.06 0.00 -1.78 0.00 0.00 34.13 29.38 3bjk s GLU 107 CO 0.12 0.54 0.77 -1.25 -0.49 0.00 0.00 175.26 174.96 3bjk s PRO 108 N -2.07 4.51 0.36 0.39 0.04 -1.26 -5.09 135.00 131.89 3bjk s PRO 108 Ca 0.35 1.09 -0.26 0.00 0.04 0.00 0.00 61.00 62.22 3bjk s PRO 108 Cb -0.13 -3.35 -0.09 0.00 0.04 0.00 0.00 34.50 30.97 3bjk s PRO 108 CO 0.19 0.32 1.11 0.42 0.04 0.00 0.00 177.00 179.08 3bjk s ILE 109 N -0.19 3.44 0.00 0.56 1.09 -1.21 -2.75 121.20 122.13 3bjk s ILE 109 Ca 0.38 1.24 0.00 0.00 -1.10 0.00 0.00 60.65 61.18 3bjk s ILE 109 Cb -0.21 -3.71 0.00 0.00 -1.06 0.00 0.00 42.46 37.48 3bjk s ILE 109 CO 0.24 0.14 0.00 0.61 -0.10 0.00 0.00 174.94 175.83 3bjk n GLY 110 N 0.70 3.05 3.65 6.18 0.00 0.49 -4.99 105.19 114.27 3bjk n GLY 110 Ca 0.03 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.59 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 -1.42 1.84 -4.34 1.61 2.13 -1.11 -4.70 120.64 114.66 3bjk n GLU 111 Ca 0.00 0.66 -0.18 0.00 0.66 0.00 0.00 57.16 58.29 3bjk n GLU 111 Cb 0.00 -2.28 -0.14 0.00 0.27 0.00 0.00 31.44 29.28 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 -0.34 0.72 0.14 5.31 0.52 -1.26 -1.21 118.95 122.82 3bjk s ARG 112 Ca 0.70 -0.38 -0.24 0.00 -0.52 0.00 0.00 55.73 55.29 3bjk s ARG 112 Cb -0.70 -0.68 0.07 0.00 0.52 0.00 0.00 34.95 34.16 3bjk s ARG 112 CO 0.50 0.18 0.68 1.52 0.02 0.00 0.00 175.30 178.20 3bjk s TYR 113 N -0.33 -0.45 -0.17 -0.53 -0.85 -0.96 -5.00 117.35 109.05 3bjk s TYR 113 Ca 0.02 0.23 -0.27 0.00 -0.52 0.00 0.00 57.07 56.53 3bjk s TYR 113 Cb -0.04 0.57 -0.01 0.00 0.38 0.00 0.00 41.96 42.86 3bjk s TYR 113 CO -0.00 -0.82 0.93 0.00 -1.52 0.00 0.00 175.55 174.14 3bjk n VAL 115 N 4.86 0.95 -3.66 0.00 0.24 0.86 -4.61 118.33 116.97 3bjk n VAL 115 Ca 0.08 -0.69 -0.15 0.00 -2.04 0.00 0.00 64.34 61.54 3bjk n VAL 115 Cb 0.48 -0.39 -0.08 0.00 -1.47 0.00 0.00 33.84 32.38 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 -2.64 0.02 0.16 3.34 2.01 -1.12 0.15 115.64 117.56 3bjk s THR 116 Ca -0.08 -0.17 -0.01 0.00 0.31 0.00 0.00 61.69 61.74 3bjk s THR 116 Cb 0.07 -0.78 -0.04 0.00 0.01 0.00 0.00 72.50 71.75 3bjk s THR 116 CO 0.75 -0.09 0.07 1.51 -0.69 0.00 0.00 174.62 176.17 3bjk s ASP 117 N -0.79 0.39 -0.00 3.53 1.47 -0.62 0.15 116.67 120.80 3bjk s ASP 117 Ca -0.09 -1.27 -0.28 0.00 1.18 0.00 0.00 52.55 52.10 3bjk s ASP 117 Cb -0.03 0.30 0.10 0.00 -0.34 0.00 0.00 42.92 42.95 3bjk s ASP 117 CO 0.05 -0.75 0.85 0.00 0.68 0.00 0.00 175.17 176.01 3bjk s ALA 118 N -4.03 -1.80 -0.21 2.11 0.00 -0.32 -1.46 121.76 116.05 3bjk s ALA 118 Ca 0.29 1.03 0.01 0.00 0.00 0.00 0.00 51.96 53.30 3bjk s ALA 118 Cb 0.07 0.32 0.04 0.00 0.00 0.00 0.00 23.12 23.55 3bjk s ALA 118 CO 0.05 -0.64 -0.14 0.08 0.00 0.00 0.00 175.76 175.11 3bjk s VAL 119 N -2.87 1.95 0.02 0.00 1.01 -0.68 -0.69 120.40 119.15 3bjk s VAL 119 Ca 0.03 -1.14 -0.01 0.00 0.00 0.00 0.00 61.98 60.87 3bjk s VAL 119 Cb -0.01 -1.91 -0.04 0.00 0.00 0.00 0.00 36.38 34.42 3bjk s VAL 119 CO -0.07 0.27 0.15 -0.36 0.00 0.00 0.00 175.10 175.09 3bjk s PHE 120 N 1.28 3.42 -0.10 5.22 0.40 0.02 -1.98 117.98 126.23 3bjk s PHE 120 Ca -0.01 0.25 0.03 0.00 -0.60 0.00 0.00 56.93 56.60 3bjk s PHE 120 Cb -0.16 -1.76 0.01 0.00 0.51 0.00 0.00 43.02 41.62 3bjk s PHE 120 CO -0.09 0.59 -0.21 0.99 0.70 0.00 0.00 175.22 177.20 3bjk s THR 121 N -1.35 1.86 0.22 0.64 2.01 0.14 -0.58 115.64 118.58 3bjk s THR 121 Ca 0.29 -0.89 0.10 0.00 0.31 0.00 0.00 61.69 61.50 3bjk s THR 121 Cb -0.13 -1.63 -0.04 0.00 0.01 0.00 0.00 72.50 70.71 3bjk s THR 121 CO 0.21 0.51 -0.14 -0.36 -0.69 0.00 0.00 174.62 174.15 3bjk s PHE 122 N 0.55 2.49 -0.08 4.92 0.08 -0.06 -0.94 117.98 124.93 3bjk s PHE 122 Ca -0.15 -0.28 0.01 0.00 0.12 0.00 0.00 56.93 56.64 3bjk s PHE 122 Cb -0.17 -1.17 0.02 0.00 -0.57 0.00 0.00 43.02 41.13 3bjk s PHE 122 CO 0.05 0.57 -0.10 0.08 -0.10 0.00 0.00 175.22 175.72 3bjk s VAL 123 N -1.97 1.08 0.20 -0.44 1.01 0.83 -0.86 120.40 120.25 3bjk s VAL 123 Ca 0.26 -0.40 -0.32 0.00 0.00 0.00 0.00 61.98 61.51 3bjk s VAL 123 Cb -0.07 -1.02 -0.13 0.00 0.00 0.00 0.00 36.38 35.16 3bjk s VAL 123 CO 0.15 0.35 1.67 0.00 0.00 0.00 0.00 175.10 177.26 3bjk n ALA 124 N 4.21 2.37 -2.40 5.51 0.00 -0.50 0.16 120.51 129.86 3bjk n ALA 124 Ca -0.20 0.41 -0.13 0.00 0.00 0.00 0.00 53.44 53.52 3bjk n ALA 124 Cb 0.51 -2.47 -0.11 0.00 0.00 0.00 0.00 19.45 17.39 3bjk n ALA 124 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 3bjk s VAL 125 N 0.97 0.89 0.56 0.00 -7.23 -0.81 -1.26 120.40 113.51 3bjk s VAL 125 Ca 0.75 -1.73 -0.06 0.00 -1.81 0.00 0.00 61.98 59.12 3bjk s VAL 125 Cb -0.56 -1.46 0.12 0.00 0.56 0.00 0.00 36.38 35.05 3bjk s VAL 125 CO 0.36 -0.65 0.76 -0.90 -0.31 0.00 0.00 175.10 174.35 3bjk n ASP 126 N 0.36 0.41 -0.38 4.85 5.68 0.00 -4.28 116.55 123.20 3bjk n ASP 126 Ca -0.15 -1.49 0.32 0.00 -0.50 0.00 0.00 54.79 52.97 3bjk n ASP 126 Cb 0.59 -0.55 0.58 0.00 -1.14 0.00 0.00 41.12 40.60 3bjk n ASP 126 CO 0.00 0.00 0.00 -1.13 -1.33 0.00 0.00 177.20 174.74 3bjk h ASN 127 N -0.80 0.34 -0.50 -1.12 -1.24 -1.99 -1.85 115.58 108.43 3bjk h ASN 127 Ca -0.25 0.17 0.00 0.00 0.71 0.00 0.00 56.30 56.93 3bjk h ASN 127 Cb 0.77 0.15 0.00 0.00 0.73 0.00 0.00 38.32 39.97 3bjk h ASN 127 CO 0.21 -0.20 0.00 0.59 -1.29 0.00 0.00 177.43 176.74 3bjk n ASN 128 N -4.89 3.54 -0.43 1.15 5.03 -1.26 -4.92 115.26 113.47 3bjk n ASN 128 Ca 0.35 -2.26 -0.06 0.00 0.87 0.00 0.00 54.58 53.48 3bjk n ASN 128 Cb 1.25 -0.47 -0.02 0.00 -1.02 0.00 0.00 39.78 39.52 3bjk n ASN 128 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3bjk n GLY 129 N 1.03 0.80 3.86 7.41 0.00 -0.69 -5.02 105.19 112.58 3bjk n GLY 129 Ca 0.19 -0.53 -0.32 0.00 0.00 0.00 0.00 46.02 45.36 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 -2.15 3.28 0.26 1.61 0.52 -1.26 -4.78 118.95 116.43 3bjk s ARG 130 Ca 0.00 -0.43 -0.29 0.00 -0.52 0.00 0.00 55.73 54.49 3bjk s ARG 130 Cb 0.00 -2.98 -0.15 0.00 0.52 0.00 0.00 34.95 32.34 3bjk s ARG 130 CO 0.00 0.64 1.02 0.45 0.02 0.00 0.00 175.30 177.43 3bjk n SER 131 N 0.81 1.19 -3.98 0.23 2.88 -1.26 -0.82 113.62 112.67 3bjk n SER 131 Ca -0.10 1.17 -0.09 0.00 -1.33 0.00 0.00 58.87 58.52 3bjk n SER 131 Cb 0.52 -1.26 -0.10 0.00 -0.75 0.00 0.00 64.21 62.62 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 -1.24 0.50 -0.08 -1.46 1.70 -0.39 -4.67 118.95 113.31 3bjk s ARG 132 Ca 0.62 -0.81 -0.28 0.00 -0.47 0.00 0.00 55.73 54.79 3bjk s ARG 132 Cb -0.75 0.18 -0.02 0.00 -0.57 0.00 0.00 34.95 33.80 3bjk s ARG 132 CO 0.58 -0.10 0.94 0.99 -1.08 0.00 0.00 175.30 176.62 3bjk s THR 133 N -2.52 4.85 0.14 4.99 2.01 -1.26 -4.50 115.64 119.35 3bjk s THR 133 Ca -0.06 1.92 -0.31 0.00 0.31 0.00 0.00 61.69 63.55 3bjk s THR 133 Cb -0.02 -4.26 -0.10 0.00 0.01 0.00 0.00 72.50 68.13 3bjk s THR 133 CO -0.05 0.08 1.67 -0.63 -0.69 0.00 0.00 174.62 175.00 3bjk s ILE 134 N 1.63 2.62 0.12 1.82 1.01 -0.08 -4.93 121.20 123.41 3bjk s ILE 134 Ca 0.47 0.31 -0.31 0.00 0.00 0.00 0.00 60.65 61.11 3bjk s ILE 134 Cb -0.19 -3.20 -0.09 0.00 0.01 0.00 0.00 42.46 39.00 3bjk s ILE 134 CO 0.20 0.01 1.50 -2.16 0.00 0.00 0.00 174.94 174.49 3bjk s PRO 135 N 1.90 4.26 -0.15 2.79 0.04 -1.26 -4.90 135.00 137.67 3bjk s PRO 135 Ca 0.74 2.22 0.18 0.00 0.04 0.00 0.00 61.00 64.18 3bjk s PRO 135 Cb -0.44 -3.28 -0.26 0.00 0.04 0.00 0.00 34.50 30.56 3bjk s PRO 135 CO 0.33 -0.56 0.21 0.54 0.04 0.00 0.00 177.00 177.56 3bjk n ARG 136 N 4.28 0.68 -3.04 4.56 5.12 -1.26 -4.69 116.66 122.30 3bjk n ARG 136 Ca 0.13 -0.01 -0.39 0.00 -1.93 0.00 0.00 57.85 55.65 3bjk n ARG 136 Cb 0.41 -1.55 -0.05 0.00 -1.16 0.00 0.00 32.46 30.10 3bjk n ARG 136 CO 0.00 0.00 0.00 -1.83 -1.93 0.00 0.00 177.63 173.87 3bjk s GLU 137 N -2.68 4.46 -1.44 5.56 1.03 -1.26 -4.12 118.70 120.26 3bjk s GLU 137 Ca -0.09 1.01 -0.08 0.00 0.03 0.00 0.00 54.97 55.84 3bjk s GLU 137 Cb 0.07 -3.32 0.04 0.00 -0.80 0.00 0.00 34.13 30.12 3bjk s GLU 137 CO 0.84 0.40 0.65 0.09 -1.33 0.00 0.00 175.26 175.91 3bjk n ASN 138 N 2.41 -5.00 -4.10 0.83 3.02 -1.26 -4.95 115.26 106.21 3bjk n ASN 138 Ca -0.05 -0.41 -0.36 0.00 -0.03 0.00 0.00 54.58 53.73 3bjk n ASN 138 Cb 0.50 -4.06 -0.08 0.00 -0.61 0.00 0.00 39.78 35.53 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 -2.83 5.51 0.30 6.41 3.84 -1.26 -4.94 114.94 121.97 3bjk s ASN 139 Ca 0.41 -3.21 -0.00 0.00 0.21 0.00 0.00 52.86 50.27 3bjk s ASN 139 Cb -0.20 -1.87 0.47 0.00 -0.55 0.00 0.00 41.25 39.09 3bjk s ASN 139 CO 0.51 -0.29 1.88 1.56 -2.79 0.00 0.00 177.10 177.96 3bjk h GLN 140 N 6.61 0.83 -0.55 0.43 4.20 -1.94 -0.40 115.11 124.29 3bjk h GLN 140 Ca 0.06 -0.13 -0.07 0.00 0.06 0.00 0.00 58.65 58.57 3bjk h GLN 140 Cb 0.90 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 28.51 3bjk h GLN 140 CO 0.76 0.69 0.07 0.93 -0.67 0.00 0.00 178.83 180.62 3bjk h GLU 141 N 0.81 0.92 -0.18 1.46 4.39 -1.92 -1.11 114.58 118.96 3bjk h GLU 141 Ca 0.19 -0.26 -0.02 0.00 0.34 0.00 0.00 59.36 59.62 3bjk h GLU 141 Cb 0.18 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.72 3bjk h GLU 141 CO -0.02 0.90 0.03 1.25 -1.16 0.00 0.00 179.01 180.02 3bjk h LEU 142 N 0.81 0.27 -0.49 1.33 5.85 -1.71 -2.87 115.31 118.51 3bjk h LEU 142 Ca 0.17 -0.25 0.10 0.00 0.84 0.00 0.00 57.88 58.73 3bjk h LEU 142 Cb 0.43 -0.07 -0.10 0.00 0.37 0.00 0.00 40.66 41.29 3bjk h LEU 142 CO 0.01 0.45 -0.28 -0.08 -0.34 0.00 0.00 178.44 178.21 3bjk h GLU 143 N 0.08 -0.16 -0.38 1.25 4.81 -0.90 -0.29 114.58 119.00 3bjk h GLU 143 Ca 0.05 0.01 0.06 0.00 -0.13 0.00 0.00 59.36 59.35 3bjk h GLU 143 Cb 0.29 0.04 -0.05 0.00 0.63 0.00 0.00 28.75 29.66 3bjk h GLU 143 CO 0.00 -0.11 0.08 0.87 -0.73 0.00 0.00 179.01 179.13 3bjk h LYS 144 N -0.17 0.21 -0.11 1.92 1.57 -1.18 -1.78 116.57 117.03 3bjk h LYS 144 Ca 0.22 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.99 3bjk h LYS 144 Cb 0.51 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.77 3bjk h LYS 144 CO -0.59 0.14 0.07 0.00 -0.57 0.00 0.00 179.45 178.49 3bjk h ALA 145 N 1.28 0.14 -0.46 3.86 0.00 -1.22 -2.26 119.26 120.60 3bjk h ALA 145 Ca 0.18 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 3bjk h ALA 145 Cb 0.21 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 3bjk h ALA 145 CO -0.23 -0.38 0.19 -0.07 0.00 0.00 0.00 179.25 178.76 3bjk h LEU 146 N 0.14 0.59 -0.17 0.00 3.38 -0.91 -0.45 115.31 117.89 3bjk h LEU 146 Ca 0.04 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 3bjk h LEU 146 Cb -0.01 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 3bjk h LEU 146 CO -0.02 0.52 0.03 0.00 0.09 0.00 0.00 178.44 179.07 3bjk h ALA 147 N 1.57 0.22 -0.17 1.53 0.00 -1.17 0.08 119.26 121.33 3bjk h ALA 147 Ca 0.16 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 3bjk h ALA 147 Cb 0.12 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3bjk h ALA 147 CO -0.02 -0.12 -0.22 -0.07 0.00 0.00 0.00 179.25 178.82 3bjk h LEU 148 N 0.07 0.29 -0.29 0.00 3.38 -1.07 -2.84 115.31 114.85 3bjk h LEU 148 Ca 0.05 -0.08 -0.04 0.00 0.09 0.00 0.00 57.88 57.90 3bjk h LEU 148 Cb 0.29 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 3bjk h LEU 148 CO 0.00 0.52 0.01 0.40 0.09 0.00 0.00 178.44 179.47 3bjk h ILE 149 N 0.27 1.25 0.00 1.22 2.04 -0.80 -2.95 117.51 118.54 3bjk h ILE 149 Ca 0.05 -0.90 0.00 0.00 1.00 0.00 0.00 64.86 65.00 3bjk h ILE 149 Cb 0.55 1.27 0.00 0.00 -0.74 0.00 0.00 36.82 37.89 3bjk h ILE 149 CO 0.04 0.29 0.00 -1.54 0.00 0.00 0.00 178.15 176.94 3bjk n SER 150 N -4.59 0.00 0.03 1.72 3.41 -0.01 -2.05 113.62 112.12 3bjk n SER 150 Ca -0.03 0.22 -0.16 0.00 -0.26 0.00 0.00 58.87 58.65 3bjk n SER 150 Cb 0.24 -0.30 -0.14 0.00 -0.26 0.00 0.00 64.21 63.76 3bjk n SER 150 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 3bjk h GLU 151 N 0.00 0.19 0.00 4.33 5.08 -1.46 -3.51 114.58 119.21 3bjk h GLU 151 Ca 0.00 -0.32 0.00 0.00 -1.00 0.00 0.00 59.36 58.04 3bjk h GLU 151 Cb 0.06 0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.43 3bjk h GLU 151 CO 0.00 0.99 0.00 1.04 -1.00 0.00 0.00 179.01 180.04