#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xbl s LYS 3 N 0.00 1.13 0.38 0.00 1.02 -1.26 -4.91 119.74 116.10 1xbl s LYS 3 Ca 0.00 -1.31 -0.23 0.00 0.02 0.00 0.00 55.97 54.45 1xbl s LYS 3 Cb 0.00 0.33 -0.14 0.00 -0.52 0.00 0.00 37.83 37.50 1xbl s LYS 3 CO 0.00 -0.39 0.44 0.94 -0.92 0.00 0.00 175.35 175.42 1xbl n GLN 4 N -0.20 0.38 -4.32 1.68 0.00 -1.26 -2.24 117.38 111.43 1xbl n GLN 4 Ca -0.05 0.14 -0.35 0.00 -0.00 0.00 0.00 57.00 56.74 1xbl n GLN 4 Cb 0.63 -1.32 -0.09 0.00 0.00 0.00 0.00 30.24 29.47 1xbl n GLN 4 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.06 173.59 1xbl n ASP 5 N 1.65 -0.23 -0.04 1.69 2.03 -1.26 -3.53 116.55 116.85 1xbl n ASP 5 Ca 0.12 -1.21 -0.01 0.00 0.52 0.00 0.00 54.79 54.21 1xbl n ASP 5 Cb 0.37 -1.52 -0.00 0.00 -0.72 0.00 0.00 41.12 39.25 1xbl n ASP 5 CO 0.00 0.00 0.00 -1.22 -1.92 0.00 0.00 177.20 174.06 1xbl n TYR 6 N -4.21 0.00 0.11 -0.67 4.01 -0.95 -4.82 117.16 110.64 1xbl n TYR 6 Ca -0.13 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.48 1xbl n TYR 6 Cb 0.57 -1.82 -0.06 0.00 -0.31 0.00 0.00 39.34 37.72 1xbl n TYR 6 CO 0.00 0.00 0.00 1.88 -0.46 0.00 0.00 176.86 178.28 1xbl h TYR 7 N 0.00 -0.76 0.00 -0.72 0.05 -1.73 -2.73 116.97 111.08 1xbl h TYR 7 Ca -0.01 0.02 -0.12 0.00 0.05 0.00 0.00 58.73 58.67 1xbl h TYR 7 Cb 0.90 0.32 -0.02 0.00 1.01 0.00 0.00 36.73 38.94 1xbl h TYR 7 CO 0.56 -0.39 -0.55 1.49 -1.05 0.00 0.00 178.16 178.22 1xbl h GLU 8 N -0.50 0.00 -0.36 4.88 4.81 -1.83 -3.32 114.58 118.26 1xbl h GLU 8 Ca 0.03 0.00 0.08 0.00 -0.13 0.00 0.00 59.36 59.34 1xbl h GLU 8 Cb 0.52 0.00 -0.08 0.00 0.63 0.00 0.00 28.75 29.83 1xbl h GLU 8 CO -0.17 0.55 -0.18 0.82 -0.73 0.00 0.00 179.01 179.31 1xbl h ILE 9 N 0.00 0.47 0.00 2.32 2.04 -1.80 0.26 117.51 120.80 1xbl h ILE 9 Ca -0.01 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.82 1xbl h ILE 9 Cb 1.25 0.47 -0.01 0.00 -0.74 0.00 0.00 36.82 37.79 1xbl h ILE 9 CO 0.07 0.00 -0.17 0.17 0.00 0.00 0.00 178.15 178.22 1xbl h LEU 10 N -0.12 0.00 0.00 1.44 -0.00 -1.66 -3.43 115.31 111.55 1xbl h LEU 10 Ca 0.18 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.06 1xbl h LEU 10 Cb 0.39 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.05 1xbl h LEU 10 CO -0.44 0.17 0.00 0.61 -0.00 0.00 0.00 178.44 178.78 1xbl n GLY 11 N -0.84 0.73 3.45 0.17 0.00 0.08 -4.73 105.19 104.04 1xbl n GLY 11 Ca -0.02 -0.76 -0.10 0.00 0.00 0.00 0.00 46.02 45.14 1xbl n GLY 11 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xbl s VAL 12 N -1.24 0.01 1.22 1.61 0.11 -1.25 -4.90 120.40 115.95 1xbl s VAL 12 Ca 0.00 -1.56 -0.16 0.00 -2.93 0.00 0.00 61.98 57.33 1xbl s VAL 12 Cb 0.00 -2.23 0.27 0.00 -1.53 0.00 0.00 36.38 32.88 1xbl s VAL 12 CO 0.00 -0.04 0.72 -0.24 -3.33 0.00 0.00 175.10 172.20 1xbl n SER 13 N -0.33 -2.43 0.02 3.54 2.88 -1.26 -4.67 113.62 111.37 1xbl n SER 13 Ca -0.01 -0.31 -0.11 0.00 -1.33 0.00 0.00 58.87 57.11 1xbl n SER 13 Cb 0.63 -1.12 -0.04 0.00 -0.75 0.00 0.00 64.21 62.93 1xbl n SER 13 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 1xbl h LYS 14 N -2.75 -0.38 -0.78 -1.46 1.57 -2.01 -3.35 116.57 107.41 1xbl h LYS 14 Ca -0.56 0.03 -0.33 0.00 -1.87 0.00 0.00 60.65 57.91 1xbl h LYS 14 Cb 1.32 0.09 -0.27 0.00 0.08 0.00 0.00 32.23 33.45 1xbl h LYS 14 CO 0.42 -0.26 -0.77 0.25 -0.57 0.00 0.00 179.45 178.52 1xbl n THR 15 N -5.40 0.09 -1.10 -0.16 -2.24 -1.26 -4.69 114.28 99.52 1xbl n THR 15 Ca -0.04 -2.70 -0.29 0.00 -2.27 0.00 0.00 64.05 58.75 1xbl n THR 15 Cb 0.32 0.74 0.16 0.00 -2.10 0.00 0.00 70.33 69.44 1xbl n THR 15 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xbl s ALA 16 N -1.08 1.21 0.63 6.98 0.00 -1.26 -5.04 121.76 123.20 1xbl s ALA 16 Ca 0.28 -0.09 -0.16 0.00 0.00 0.00 0.00 51.96 51.99 1xbl s ALA 16 Cb 0.35 -3.20 -0.01 0.00 0.00 0.00 0.00 23.12 20.26 1xbl s ALA 16 CO -0.05 -2.63 1.12 -2.00 0.00 0.00 0.00 175.76 172.19 1xbl s GLU 17 N -4.87 2.90 0.30 0.00 2.12 -1.26 -4.89 118.70 112.99 1xbl s GLU 17 Ca 0.64 1.46 0.03 0.00 0.36 0.00 0.00 54.97 57.47 1xbl s GLU 17 Cb -0.19 -1.96 0.62 0.00 0.26 0.00 0.00 34.13 32.86 1xbl s GLU 17 CO 0.58 -1.18 1.83 1.49 -0.54 0.00 0.00 175.26 177.44 1xbl h GLU 18 N 0.30 0.89 -0.96 4.30 4.81 -1.96 0.92 114.58 122.87 1xbl h GLU 18 Ca -0.48 -0.05 0.30 0.00 -0.13 0.00 0.00 59.36 59.00 1xbl h GLU 18 Cb 1.25 -0.20 -0.15 0.00 0.63 0.00 0.00 28.75 30.28 1xbl h GLU 18 CO 0.55 0.59 0.41 -0.09 -0.73 0.00 0.00 179.01 179.73 1xbl h ARG 19 N 0.92 0.22 0.13 1.92 1.12 -2.00 0.13 114.38 116.82 1xbl h ARG 19 Ca 0.50 -0.01 -0.31 0.00 -1.11 0.00 0.00 59.98 59.06 1xbl h ARG 19 Cb 0.59 -0.05 -0.00 0.00 -0.01 0.00 0.00 29.97 30.50 1xbl h ARG 19 CO -0.28 0.15 -1.50 1.49 -3.11 0.00 0.00 179.97 176.72 1xbl h GLU 20 N 0.23 0.27 -0.09 0.20 4.81 -1.21 -3.06 114.58 115.73 1xbl h GLU 20 Ca 0.67 -0.47 0.04 0.00 -0.13 0.00 0.00 59.36 59.47 1xbl h GLU 20 Cb 1.50 0.17 -0.05 0.00 0.63 0.00 0.00 28.75 31.00 1xbl h GLU 20 CO -0.66 1.15 -0.23 0.82 -0.73 0.00 0.00 179.01 179.36 1xbl h ILE 21 N 0.07 0.45 -0.45 2.32 1.08 -0.32 0.14 117.51 120.82 1xbl h ILE 21 Ca -0.23 0.00 0.08 0.00 -0.39 0.00 0.00 64.86 64.31 1xbl h ILE 21 Cb 2.02 0.45 -0.06 0.00 -3.07 0.00 0.00 36.82 36.16 1xbl h ILE 21 CO 0.17 0.00 0.07 -0.09 -0.69 0.00 0.00 178.15 177.61 1xbl h ARG 22 N -0.31 0.19 -0.61 2.37 2.43 -0.94 0.23 114.38 117.73 1xbl h ARG 22 Ca 0.09 -0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 59.18 1xbl h ARG 22 Cb 0.44 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.92 1xbl h ARG 22 CO -0.27 0.12 0.11 0.87 -1.51 0.00 0.00 179.97 179.30 1xbl h LYS 23 N 0.19 1.00 0.23 0.20 6.56 -1.30 -1.74 116.57 121.71 1xbl h LYS 23 Ca 0.22 -0.26 -0.01 0.00 -1.06 0.00 0.00 60.65 59.54 1xbl h LYS 23 Cb 0.29 -0.12 0.00 0.00 -0.57 0.00 0.00 32.23 31.84 1xbl h LYS 23 CO -0.31 0.93 -0.11 0.00 -2.06 0.00 0.00 179.45 177.90 1xbl h ALA 24 N 1.03 -0.31 -0.07 3.86 0.00 0.52 0.42 119.26 124.71 1xbl h ALA 24 Ca 0.19 -0.15 0.04 0.00 0.00 0.00 0.00 54.91 54.98 1xbl h ALA 24 Cb 0.40 0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.26 1xbl h ALA 24 CO 0.01 -0.55 -0.25 -0.92 0.00 0.00 0.00 179.25 177.54 1xbl h TYR 25 N -0.55 -0.66 -0.75 0.00 3.20 -1.03 0.03 116.97 117.21 1xbl h TYR 25 Ca -0.03 0.03 0.06 0.00 3.14 0.00 0.00 58.73 61.93 1xbl h TYR 25 Cb 0.41 0.30 -0.06 0.00 1.54 0.00 0.00 36.73 38.92 1xbl h TYR 25 CO 0.01 -0.33 0.44 -0.22 -1.64 0.00 0.00 178.16 176.41 1xbl h LYS 26 N -0.35 0.77 0.31 1.82 1.63 -1.27 -1.69 116.57 117.80 1xbl h LYS 26 Ca 0.08 -0.05 -0.02 0.00 -0.85 0.00 0.00 60.65 59.82 1xbl h LYS 26 Cb 0.47 -0.17 0.00 0.00 -0.60 0.00 0.00 32.23 31.92 1xbl h LYS 26 CO -0.27 0.51 -0.15 -0.09 -3.45 0.00 0.00 179.45 176.00 1xbl h ARG 27 N 0.79 -0.40 -1.00 1.90 1.12 -0.04 -3.08 114.38 113.68 1xbl h ARG 27 Ca 0.33 0.03 0.08 0.00 -1.11 0.00 0.00 59.98 59.32 1xbl h ARG 27 Cb 0.20 0.09 -0.07 0.00 -0.01 0.00 0.00 29.97 30.17 1xbl h ARG 27 CO -0.18 -0.18 0.64 -0.07 -3.11 0.00 0.00 179.97 177.06 1xbl h LEU 28 N -0.55 0.99 -1.33 3.80 4.07 -0.56 0.15 115.31 121.89 1xbl h LEU 28 Ca -0.04 0.02 0.15 0.00 0.08 0.00 0.00 57.88 58.10 1xbl h LEU 28 Cb 0.41 -0.18 -0.07 0.00 1.08 0.00 0.00 40.66 41.89 1xbl h LEU 28 CO 0.07 0.60 0.57 0.00 -1.08 0.00 0.00 178.44 178.60 1xbl h ALA 29 N 1.48 1.90 0.00 1.53 0.00 -1.24 0.78 119.26 123.72 1xbl h ALA 29 Ca 0.45 0.02 -0.14 0.00 0.00 0.00 0.00 54.91 55.24 1xbl h ALA 29 Cb 0.28 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1xbl h ALA 29 CO -0.21 -0.15 -1.16 0.52 0.00 0.00 0.00 179.25 178.25 1xbl h MET 30 N 0.63 0.00 0.72 0.00 2.86 -1.05 -3.07 114.93 115.02 1xbl h MET 30 Ca 0.45 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 58.06 1xbl h MET 30 Cb 0.80 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.47 1xbl h MET 30 CO -0.20 0.33 -0.34 -0.22 1.06 0.00 0.00 176.91 177.53 1xbl h LYS 31 N 0.00 -0.93 0.00 1.72 3.11 0.17 -3.32 116.57 117.33 1xbl h LYS 31 Ca -0.11 0.06 0.00 0.00 -2.81 0.00 0.00 60.65 57.79 1xbl h LYS 31 Cb 1.51 0.21 0.00 0.00 -1.00 0.00 0.00 32.23 32.95 1xbl h LYS 31 CO 0.05 -0.62 -1.13 2.48 -2.81 0.00 0.00 179.45 177.42 1xbl n TYR 32 N -4.87 0.58 0.00 1.91 0.18 -1.04 -5.04 117.16 108.88 1xbl n TYR 32 Ca -0.12 0.17 0.00 0.00 1.88 0.00 0.00 57.90 59.83 1xbl n TYR 32 Cb 0.38 -0.71 0.00 0.00 -0.38 0.00 0.00 39.34 38.63 1xbl n TYR 32 CO 0.00 0.00 0.00 1.58 -2.08 0.00 0.00 176.86 176.36 1xbl n HIS 33 N -2.35 0.00 -1.91 -3.48 -0.00 -1.16 -4.66 115.22 101.66 1xbl n HIS 33 Ca 0.00 0.00 -0.30 0.00 0.46 0.00 0.00 57.72 57.88 1xbl n HIS 33 Cb 0.51 0.00 -0.06 0.00 -0.12 0.00 0.00 29.99 30.32 1xbl n HIS 33 CO 0.00 0.00 0.00 -0.35 0.46 0.00 0.00 176.34 176.45 1xbl n PRO 34 N 0.27 1.53 -0.26 1.57 -0.04 -1.26 -4.76 135.00 132.06 1xbl n PRO 34 Ca 0.00 -2.35 -0.09 0.00 -0.04 0.00 0.00 63.50 61.02 1xbl n PRO 34 Cb 0.00 -3.62 -0.05 0.00 -0.04 0.00 0.00 33.50 29.80 1xbl n PRO 34 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 1xbl h ASP 35 N 9.51 -1.67 0.00 3.54 3.58 -1.99 -3.38 116.42 126.00 1xbl h ASP 35 Ca 0.24 0.27 0.00 0.00 0.42 0.00 0.00 57.03 57.96 1xbl h ASP 35 Cb 0.90 0.76 0.00 0.00 1.72 0.00 0.00 39.33 42.70 1xbl h ASP 35 CO 1.33 -0.32 0.00 -2.11 -2.88 0.00 0.00 179.24 175.26 1xbl n ARG 36 N -5.38 0.00 -2.29 0.28 1.85 -1.26 -5.12 116.66 104.73 1xbl n ARG 36 Ca 0.02 0.00 -0.04 0.00 -1.00 0.00 0.00 57.85 56.83 1xbl n ARG 36 Cb 0.34 -0.32 0.01 0.00 -1.05 0.00 0.00 32.46 31.43 1xbl n ARG 36 CO 0.00 0.00 0.00 -1.71 -0.01 0.00 0.00 177.63 175.91 1xbl n ASN 37 N -3.47 -5.57 -4.31 2.89 2.85 -1.26 -4.81 115.26 101.58 1xbl n ASN 37 Ca 0.00 0.40 -0.57 0.00 -0.11 0.00 0.00 54.58 54.30 1xbl n ASN 37 Cb 0.00 -3.62 -0.11 0.00 1.24 0.00 0.00 39.78 37.29 1xbl n ASN 37 CO 0.00 0.00 0.00 1.67 -2.11 0.00 0.00 177.26 176.82 1xbl n GLN 38 N -0.26 0.29 -2.09 1.20 0.00 -1.26 -1.36 117.38 113.89 1xbl n GLN 38 Ca 0.06 0.08 -0.18 0.00 -0.00 0.00 0.00 57.00 56.96 1xbl n GLN 38 Cb 0.23 -1.77 -0.03 0.00 0.00 0.00 0.00 30.24 28.68 1xbl n GLN 38 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1xbl n GLY 39 N 7.21 0.28 3.55 1.69 0.00 -1.26 -5.00 105.19 111.66 1xbl n GLY 39 Ca 0.52 -0.13 -0.29 0.00 0.00 0.00 0.00 46.02 46.11 1xbl n GLY 39 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1xbl s ASP 40 N -2.38 1.22 0.00 1.61 -1.08 -0.47 -4.92 116.67 110.65 1xbl s ASP 40 Ca 0.00 1.06 0.00 0.00 -0.52 0.00 0.00 52.55 53.09 1xbl s ASP 40 Cb 0.00 -1.62 0.00 0.00 -1.46 0.00 0.00 42.92 39.84 1xbl s ASP 40 CO 0.00 -3.99 0.00 1.17 0.52 0.00 0.00 175.17 172.87 1xbl n LYS 41 N -4.73 0.00 0.02 4.34 4.81 -1.26 -4.92 118.16 116.43 1xbl n LYS 41 Ca 0.07 0.00 -0.12 0.00 -0.87 0.00 0.00 58.31 57.39 1xbl n LYS 41 Cb 0.58 0.00 -0.09 0.00 0.02 0.00 0.00 35.03 35.53 1xbl n LYS 41 CO 0.00 0.00 0.00 1.49 1.17 0.00 0.00 177.40 180.06 1xbl h GLU 42 N 0.00 -0.12 -0.87 1.64 4.81 -1.98 0.12 114.58 118.18 1xbl h GLU 42 Ca 0.00 0.01 0.14 0.00 -0.13 0.00 0.00 59.36 59.38 1xbl h GLU 42 Cb 0.00 0.03 -0.09 0.00 0.63 0.00 0.00 28.75 29.32 1xbl h GLU 42 CO 0.00 0.37 0.46 0.00 -0.73 0.00 0.00 179.01 179.12 1xbl h ALA 43 N 0.09 1.31 -0.22 2.92 0.00 -1.98 0.24 119.26 121.61 1xbl h ALA 43 Ca -0.01 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1xbl h ALA 43 Cb 0.55 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1xbl h ALA 43 CO 0.02 -0.05 0.07 1.49 0.00 0.00 0.00 179.25 180.78 1xbl h GLU 44 N 0.67 0.35 -0.67 0.00 4.57 -1.89 0.21 114.58 117.83 1xbl h GLU 44 Ca 0.46 -0.08 -0.07 0.00 -1.18 0.00 0.00 59.36 58.50 1xbl h GLU 44 Cb 0.63 -0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 29.14 1xbl h GLU 44 CO -0.34 0.44 0.15 0.00 -1.18 0.00 0.00 179.01 178.07 1xbl h ALA 45 N 0.89 1.00 -0.72 2.92 0.00 0.46 0.20 119.26 124.01 1xbl h ALA 45 Ca 0.07 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 1xbl h ALA 45 Cb 0.23 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 1xbl h ALA 45 CO -0.00 0.65 0.39 -0.22 0.00 0.00 0.00 179.25 180.06 1xbl h LYS 46 N 1.01 1.01 -0.56 0.00 3.64 -0.47 -1.10 116.57 120.10 1xbl h LYS 46 Ca 0.21 -0.12 0.05 0.00 -1.27 0.00 0.00 60.65 59.52 1xbl h LYS 46 Cb 0.37 -0.19 -0.03 0.00 -0.41 0.00 0.00 32.23 31.97 1xbl h LYS 46 CO 0.00 0.76 0.37 0.35 -2.27 0.00 0.00 179.45 178.66 1xbl h PHE 47 N 0.99 0.55 -0.10 1.91 3.57 0.10 -0.34 116.94 123.62 1xbl h PHE 47 Ca 0.25 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.76 1xbl h PHE 47 Cb 0.05 -0.18 -0.00 0.00 2.79 0.00 0.00 35.95 38.61 1xbl h PHE 47 CO -0.00 0.30 0.03 0.87 -2.23 0.00 0.00 178.31 177.28 1xbl h LYS 48 N 0.55 0.15 -0.35 1.11 1.57 0.55 0.18 116.57 120.33 1xbl h LYS 48 Ca 0.24 -0.03 -0.07 0.00 -1.87 0.00 0.00 60.65 58.91 1xbl h LYS 48 Cb 0.24 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.51 1xbl h LYS 48 CO -0.07 0.30 -0.06 1.05 -0.57 0.00 0.00 179.45 180.11 1xbl h GLU 49 N -0.03 0.66 -0.36 3.15 4.11 -0.45 0.21 114.58 121.87 1xbl h GLU 49 Ca 0.03 -0.24 0.00 0.00 0.07 0.00 0.00 59.36 59.22 1xbl h GLU 49 Cb 0.21 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 1xbl h GLU 49 CO -0.00 0.81 0.22 0.82 0.07 0.00 0.00 179.01 180.93 1xbl h ILE 50 N 0.45 1.11 0.06 -1.06 2.04 -1.10 -0.35 117.51 118.66 1xbl h ILE 50 Ca 0.09 -0.23 -0.00 0.00 1.00 0.00 0.00 64.86 65.72 1xbl h ILE 50 Cb 0.55 0.62 0.00 0.00 -0.74 0.00 0.00 36.82 37.25 1xbl h ILE 50 CO 0.03 0.11 -0.03 0.50 0.00 0.00 0.00 178.15 178.76 1xbl h LYS 51 N 0.47 -0.07 -0.31 2.37 3.64 -0.33 -0.59 116.57 121.75 1xbl h LYS 51 Ca 0.13 0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.57 1xbl h LYS 51 Cb -0.02 0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 31.76 1xbl h LYS 51 CO -0.03 0.21 -0.04 1.49 -2.27 0.00 0.00 179.45 178.82 1xbl h GLU 52 N -0.36 0.04 -0.18 1.90 4.81 -0.51 0.27 114.58 120.55 1xbl h GLU 52 Ca -0.01 -0.00 0.05 0.00 -0.13 0.00 0.00 59.36 59.27 1xbl h GLU 52 Cb 0.32 -0.01 -0.07 0.00 0.63 0.00 0.00 28.75 29.62 1xbl h GLU 52 CO 0.01 0.03 -0.42 0.00 -0.73 0.00 0.00 179.01 177.90 1xbl h ALA 53 N 1.29 -0.55 -0.18 2.92 0.00 -0.94 0.10 119.26 121.90 1xbl h ALA 53 Ca 0.15 0.00 0.05 0.00 0.00 0.00 0.00 54.91 55.11 1xbl h ALA 53 Cb 0.22 0.79 -0.05 0.00 0.00 0.00 0.00 17.79 18.75 1xbl h ALA 53 CO -0.28 -0.91 -0.16 -0.92 0.00 0.00 0.00 179.25 176.98 1xbl h TYR 54 N -0.46 -0.41 -0.45 0.00 3.20 0.19 0.14 116.97 119.18 1xbl h TYR 54 Ca 0.09 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.96 1xbl h TYR 54 Cb 0.61 0.21 -0.02 0.00 1.54 0.00 0.00 36.73 39.07 1xbl h TYR 54 CO -0.50 -0.23 0.20 1.49 -1.64 0.00 0.00 178.16 177.47 1xbl h GLU 55 N -0.18 0.66 0.50 1.82 4.81 -0.06 0.00 114.58 122.14 1xbl h GLU 55 Ca 0.11 -0.11 -0.02 0.00 -0.13 0.00 0.00 59.36 59.21 1xbl h GLU 55 Cb 0.34 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.61 1xbl h GLU 55 CO -0.28 0.59 -0.24 0.28 -0.73 0.00 0.00 179.01 178.63 1xbl h VAL 56 N 0.59 0.47 -0.35 0.32 2.07 -0.67 -2.32 116.25 116.36 1xbl h VAL 56 Ca 0.15 -0.24 -0.02 0.00 0.82 0.00 0.00 66.70 67.41 1xbl h VAL 56 Cb 0.16 0.58 -0.02 0.00 -1.52 0.00 0.00 31.29 30.49 1xbl h VAL 56 CO -0.02 0.04 0.13 -0.07 0.02 0.00 0.00 177.57 177.67 1xbl h LEU 57 N -0.82 0.45 -0.91 2.57 3.38 -0.53 0.20 115.31 119.65 1xbl h LEU 57 Ca -0.07 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.86 1xbl h LEU 57 Cb 0.58 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.21 1xbl h LEU 57 CO 0.11 0.42 0.00 0.35 0.09 0.00 0.00 178.44 179.41 1xbl n THR 58 N -4.39 0.22 -1.42 0.22 -2.24 -0.05 -4.85 114.28 101.78 1xbl n THR 58 Ca 0.02 -0.30 -0.10 0.00 -2.27 0.00 0.00 64.05 61.40 1xbl n THR 58 Cb 0.15 0.21 0.07 0.00 -2.10 0.00 0.00 70.33 68.66 1xbl n THR 58 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1xbl n ASP 59 N 0.14 0.07 0.00 3.42 2.03 0.69 -5.04 116.55 117.86 1xbl n ASP 59 Ca 0.14 -1.19 -0.04 0.00 0.52 0.00 0.00 54.79 54.22 1xbl n ASP 59 Cb 0.26 -0.36 -0.01 0.00 -0.72 0.00 0.00 41.12 40.29 1xbl n ASP 59 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1xbl n SER 60 N -3.28 1.09 -0.05 1.67 7.64 -1.26 -4.76 113.62 114.67 1xbl n SER 60 Ca 0.06 0.16 -0.14 0.00 1.01 0.00 0.00 58.87 59.96 1xbl n SER 60 Cb 0.21 -0.37 -0.12 0.00 -1.01 0.00 0.00 64.21 62.91 1xbl n SER 60 CO 0.00 0.00 0.00 -0.61 -3.01 0.00 0.00 175.04 171.42 1xbl h GLN 61 N -0.25 0.03 -2.22 1.43 -0.00 -1.97 -0.01 115.11 112.11 1xbl h GLN 61 Ca -0.05 -0.04 -0.18 0.00 -0.00 0.00 0.00 58.65 58.38 1xbl h GLN 61 Cb 0.51 0.01 -0.05 0.00 0.00 0.00 0.00 27.48 27.95 1xbl h GLN 61 CO -0.03 0.90 -0.06 1.63 0.00 0.00 0.00 178.83 181.27 1xbl n LYS 62 N -4.63 1.71 0.00 1.69 4.76 -1.26 -3.23 118.16 117.20 1xbl n LYS 62 Ca -0.10 -0.88 0.00 0.00 -2.87 0.00 0.00 58.31 54.47 1xbl n LYS 62 Cb 0.45 -1.95 0.00 0.00 -1.84 0.00 0.00 35.03 31.69 1xbl n LYS 62 CO 0.00 0.00 0.00 -2.13 -1.37 0.00 0.00 177.40 173.90 1xbl n ARG 63 N 2.65 0.00 -0.09 1.97 3.00 -1.19 -4.28 116.66 118.72 1xbl n ARG 63 Ca 0.37 0.00 0.17 0.00 -0.00 0.00 0.00 57.85 58.39 1xbl n ARG 63 Cb 0.73 0.00 0.58 0.00 0.00 0.00 0.00 32.46 33.77 1xbl n ARG 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1xbl h ALA 64 N 0.13 2.26 0.14 5.13 0.00 -0.98 0.27 119.26 126.22 1xbl h ALA 64 Ca 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1xbl h ALA 64 Cb 0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1xbl h ALA 64 CO 0.00 -0.44 -0.18 0.00 0.00 0.00 0.00 179.25 178.63 1xbl h ALA 65 N 1.69 -0.84 0.00 0.00 0.00 -1.78 -0.74 119.26 117.58 1xbl h ALA 65 Ca 0.31 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 55.10 1xbl h ALA 65 Cb 0.89 0.48 -0.01 0.00 0.00 0.00 0.00 17.79 19.14 1xbl h ALA 65 CO -0.07 -0.87 -0.29 1.88 0.00 0.00 0.00 179.25 179.91 1xbl h TYR 66 N -0.34 0.00 -0.45 0.00 -1.99 -0.96 -2.45 116.97 110.78 1xbl h TYR 66 Ca -0.02 0.00 -0.05 0.00 2.00 0.00 0.00 58.73 60.67 1xbl h TYR 66 Cb 0.30 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.01 1xbl h TYR 66 CO -0.19 0.29 0.09 0.22 -0.00 0.00 0.00 178.16 178.57 1xbl h ASP 67 N 0.00 0.64 0.44 3.88 3.58 -0.52 0.10 116.42 124.55 1xbl h ASP 67 Ca -0.00 -0.11 -0.02 0.00 0.42 0.00 0.00 57.03 57.32 1xbl h ASP 67 Cb 0.78 -0.17 0.00 0.00 1.72 0.00 0.00 39.33 41.67 1xbl h ASP 67 CO 0.04 0.65 -0.21 -0.61 -2.88 0.00 0.00 179.24 176.22 1xbl h GLN 68 N 0.67 -0.57 0.00 0.28 4.15 -0.63 -3.44 115.11 115.57 1xbl h GLN 68 Ca 0.15 0.04 -0.13 0.00 0.77 0.00 0.00 58.65 59.48 1xbl h GLN 68 Cb 0.28 0.13 -0.12 0.00 0.21 0.00 0.00 27.48 27.98 1xbl h GLN 68 CO 0.00 -0.38 -0.24 0.98 -1.93 0.00 0.00 178.83 177.26 1xbl n TYR 69 N -3.62 -0.89 -3.93 3.99 9.36 -1.16 -4.99 117.16 115.92 1xbl n TYR 69 Ca -0.07 -0.95 0.00 0.00 3.32 0.00 0.00 57.90 60.20 1xbl n TYR 69 Cb 0.23 0.95 0.00 0.00 -0.63 0.00 0.00 39.34 39.89 1xbl n TYR 69 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1xbl n GLY 70 N -0.67 2.39 0.38 2.98 0.00 0.35 -1.65 105.19 108.96 1xbl n GLY 70 Ca -0.20 -0.38 0.14 0.00 0.00 0.00 0.00 46.02 45.58 1xbl n GLY 70 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 173.32 174.44 1xbl h HIS 71 N 0.00 0.66 -0.24 1.61 2.07 -1.89 -2.43 115.15 114.93 1xbl h HIS 71 Ca 0.00 0.02 -0.09 0.00 -2.85 0.00 0.00 60.37 57.45 1xbl h HIS 71 Cb 0.00 -0.21 -0.05 0.00 2.57 0.00 0.00 27.41 29.72 1xbl h HIS 71 CO 0.00 0.24 0.11 0.00 -3.07 0.00 0.00 177.93 175.21 1xbl n ALA 72 N -2.47 3.20 0.06 6.11 0.00 -0.66 -4.21 120.51 122.54 1xbl n ALA 72 Ca 0.17 -0.74 -0.11 0.00 0.00 0.00 0.00 53.44 52.76 1xbl n ALA 72 Cb 0.52 -1.09 -0.04 0.00 0.00 0.00 0.00 19.45 18.84 1xbl n ALA 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xbl h ALA 73 N 2.10 -0.28 -2.17 0.00 0.00 -1.42 -3.31 119.26 114.19 1xbl h ALA 73 Ca 0.11 0.00 -0.78 0.00 0.00 0.00 0.00 54.91 54.24 1xbl h ALA 73 Cb 1.29 0.38 -0.25 0.00 0.00 0.00 0.00 17.79 19.21 1xbl h ALA 73 CO 0.25 -0.71 0.82 1.97 0.00 0.00 0.00 179.25 181.58 1xbl n PHE 74 N -5.34 4.74 0.08 0.00 -1.74 -1.26 -4.71 117.46 109.22 1xbl n PHE 74 Ca -0.05 -3.56 0.02 0.00 -0.56 0.00 0.00 57.45 53.30 1xbl n PHE 74 Cb 0.26 -1.80 0.03 0.00 1.52 0.00 0.00 39.48 39.49 1xbl n PHE 74 CO 0.00 0.00 0.00 -1.91 -0.56 0.00 0.00 176.76 174.29 1xbl n GLU 75 N 3.35 0.80 0.00 3.97 2.13 -1.25 -5.18 120.64 124.46 1xbl n GLU 75 Ca 0.28 -1.09 0.15 0.00 0.66 0.00 0.00 57.16 57.17 1xbl n GLU 75 Cb 0.39 -1.08 0.76 0.00 0.27 0.00 0.00 31.44 31.78 1xbl n GLU 75 CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76