#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 1.00 0.50 0.00 2.47 -1.26 -5.17 119.74 117.28 1xbl s LYS 3 Ca 0.00 0.28 -0.10 0.00 -1.56 0.00 0.00 55.97 54.59 1xbl s LYS 3 Cb 0.00 0.47 -0.05 0.00 -1.46 0.00 0.00 37.83 36.79 1xbl s LYS 3 CO 0.00 -0.30 0.87 -1.14 0.16 0.00 0.00 175.35 174.94 1xbl s GLN 4 N -1.07 3.69 -1.23 4.03 2.00 -1.26 -4.59 119.66 121.23 1xbl s GLN 4 Ca -0.10 0.54 -0.26 0.00 -2.00 0.00 0.00 55.36 53.54 1xbl s GLN 4 Cb -0.01 -2.27 0.04 0.00 0.80 0.00 0.00 33.01 31.57 1xbl s GLN 4 CO 0.09 -0.25 0.49 -3.47 -0.50 0.00 0.00 175.29 171.64 1xbl n ASP 5 N -1.97 -2.70 -0.05 6.67 2.03 -1.26 -4.85 116.55 114.42 1xbl n ASP 5 Ca 0.03 -1.24 0.21 0.00 0.52 0.00 0.00 54.79 54.31 1xbl n ASP 5 Cb 0.54 -1.50 0.67 0.00 -0.72 0.00 0.00 41.12 40.11 1xbl n ASP 5 CO 0.00 0.00 0.00 1.88 -1.92 0.00 0.00 177.20 177.16 1xbl h TYR 6 N -2.21 0.06 -0.74 -0.67 0.05 -1.98 -0.55 116.97 110.93 1xbl h TYR 6 Ca -0.67 0.00 0.08 0.00 0.05 0.00 0.00 58.73 58.20 1xbl h TYR 6 Cb 1.33 -0.02 -0.07 0.00 1.01 0.00 0.00 36.73 38.99 1xbl h TYR 6 CO 0.39 0.02 0.40 1.88 -1.05 0.00 0.00 178.16 179.80 1xbl h TYR 7 N 0.05 0.72 -0.12 4.88 -1.99 -1.90 0.12 116.97 118.74 1xbl h TYR 7 Ca 0.29 0.03 -0.23 0.00 2.00 0.00 0.00 58.73 60.82 1xbl h TYR 7 Cb 1.10 -0.21 0.01 0.00 2.00 0.00 0.00 36.73 39.63 1xbl h TYR 7 CO -0.00 0.29 -0.84 1.49 -0.00 0.00 0.00 178.16 179.11 1xbl h GLU 8 N 0.69 0.75 -0.61 4.88 4.57 -1.35 0.35 114.58 123.85 1xbl h GLU 8 Ca 0.35 -0.65 0.07 0.00 -1.18 0.00 0.00 59.36 57.95 1xbl h GLU 8 Cb 0.32 0.15 -0.06 0.00 -0.16 0.00 0.00 28.75 29.00 1xbl h GLU 8 CO -0.24 1.25 0.29 0.82 -1.18 0.00 0.00 179.01 179.95 1xbl h ILE 9 N 0.49 0.87 -0.35 2.32 2.04 -1.01 -0.04 117.51 121.83 1xbl h ILE 9 Ca -0.07 -0.18 -0.11 0.00 1.00 0.00 0.00 64.86 65.50 1xbl h ILE 9 Cb 1.47 0.30 -0.01 0.00 -0.74 0.00 0.00 36.82 37.84 1xbl h ILE 9 CO 0.17 0.09 -0.23 -0.07 0.00 0.00 0.00 178.15 178.11 1xbl h LEU 10 N 0.52 0.81 -1.33 1.44 4.07 -0.92 -3.49 115.31 116.41 1xbl h LEU 10 Ca 0.29 -0.43 0.00 0.00 0.08 0.00 0.00 57.88 57.82 1xbl h LEU 10 Cb 0.28 -0.22 0.00 0.00 1.08 0.00 0.00 40.66 41.80 1xbl h LEU 10 CO -0.24 1.06 0.00 0.61 -1.08 0.00 0.00 178.44 178.80 1xbl n GLY 11 N 0.03 0.60 3.62 0.83 0.00 0.07 -4.97 105.19 105.36 1xbl n GLY 11 Ca -0.03 -0.54 -0.09 0.00 0.00 0.00 0.00 46.02 45.37 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 -2.44 0.01 0.37 1.61 0.11 -0.93 -5.01 120.40 114.11 1xbl s VAL 12 Ca 0.00 -1.13 -0.28 0.00 -2.93 0.00 0.00 61.98 57.64 1xbl s VAL 12 Cb 0.00 -1.95 -0.10 0.00 -1.53 0.00 0.00 36.38 32.80 1xbl s VAL 12 CO 0.00 -0.05 1.38 -0.44 -3.33 0.00 0.00 175.10 172.66 1xbl s SER 13 N -2.95 6.48 0.46 3.54 0.01 -1.26 -4.56 113.70 115.42 1xbl s SER 13 Ca 0.16 2.83 0.21 0.00 1.31 0.00 0.00 55.95 60.47 1xbl s SER 13 Cb -0.02 -2.66 1.11 0.00 0.21 0.00 0.00 66.02 64.67 1xbl s SER 13 CO 0.05 -0.75 1.95 0.11 0.41 0.00 0.00 173.24 175.01 1xbl h LYS 14 N 3.06 0.00 -0.10 12.44 1.57 -2.01 -0.62 116.57 130.92 1xbl h LYS 14 Ca -0.50 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.28 1xbl h LYS 14 Cb 1.24 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.55 1xbl h LYS 14 CO 0.64 0.22 0.00 0.25 -0.57 0.00 0.00 179.45 179.99 1xbl n THR 15 N -3.79 0.12 -1.70 -0.16 -2.24 -1.26 -4.93 114.28 100.32 1xbl n THR 15 Ca -0.02 -0.20 -0.42 0.00 -2.27 0.00 0.00 64.05 61.14 1xbl n THR 15 Cb 0.32 0.10 -0.03 0.00 -2.10 0.00 0.00 70.33 68.62 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 -1.88 3.28 0.89 6.98 0.00 -0.24 -4.96 121.76 125.83 1xbl s ALA 16 Ca 0.30 1.06 -0.13 0.00 0.00 0.00 0.00 51.96 53.20 1xbl s ALA 16 Cb 0.15 -3.92 0.06 0.00 0.00 0.00 0.00 23.12 19.42 1xbl s ALA 16 CO 0.24 -1.99 0.74 -1.91 0.00 0.00 0.00 175.76 172.84 1xbl n GLU 17 N 7.93 -0.18 -0.21 0.00 2.13 -1.26 -4.63 120.64 124.41 1xbl n GLU 17 Ca 0.23 0.00 0.15 0.00 0.66 0.00 0.00 57.16 58.21 1xbl n GLU 17 Cb 0.43 -2.08 0.47 0.00 0.27 0.00 0.00 31.44 30.53 1xbl n GLU 17 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 1xbl h GLU 18 N -1.39 0.47 -0.80 5.31 4.22 -1.93 0.18 114.58 120.64 1xbl h GLU 18 Ca -0.44 -0.03 0.16 0.00 0.08 0.00 0.00 59.36 59.13 1xbl h GLU 18 Cb 1.29 -0.11 -0.05 0.00 0.50 0.00 0.00 28.75 30.38 1xbl h GLU 18 CO 0.39 0.31 0.53 -0.09 -2.18 0.00 0.00 179.01 177.97 1xbl h ARG 19 N 0.49 0.41 0.18 1.92 1.12 -1.93 0.22 114.38 116.78 1xbl h ARG 19 Ca 0.41 -0.02 -0.34 0.00 -1.11 0.00 0.00 59.98 58.92 1xbl h ARG 19 Cb 0.89 -0.09 0.01 0.00 -0.01 0.00 0.00 29.97 30.77 1xbl h ARG 19 CO -0.16 0.27 -1.66 1.49 -3.11 0.00 0.00 179.97 176.80 1xbl h GLU 20 N 0.42 0.38 -0.76 0.20 4.57 -1.03 -3.28 114.58 115.09 1xbl h GLU 20 Ca 0.40 -0.65 0.15 0.00 -1.18 0.00 0.00 59.36 58.08 1xbl h GLU 20 Cb 0.93 0.24 -0.05 0.00 -0.16 0.00 0.00 28.75 29.71 1xbl h GLU 20 CO -0.13 1.29 0.51 0.82 -1.18 0.00 0.00 179.01 180.31 1xbl h ILE 21 N 0.10 0.78 -0.47 2.32 1.08 0.11 0.19 117.51 121.62 1xbl h ILE 21 Ca -0.31 -0.13 0.08 0.00 -0.39 0.00 0.00 64.86 64.11 1xbl h ILE 21 Cb 2.09 0.36 -0.07 0.00 -3.07 0.00 0.00 36.82 36.13 1xbl h ILE 21 CO 0.19 0.07 0.08 -0.09 -0.69 0.00 0.00 178.15 177.71 1xbl h ARG 22 N 0.39 0.21 0.07 2.37 9.65 -0.69 0.40 114.38 126.78 1xbl h ARG 22 Ca 0.37 -0.01 -0.00 0.00 -1.10 0.00 0.00 59.98 59.24 1xbl h ARG 22 Cb 0.89 -0.05 0.00 0.00 -1.39 0.00 0.00 29.97 29.43 1xbl h ARG 22 CO -0.11 0.14 -0.03 0.87 2.80 0.00 0.00 179.97 183.63 1xbl h LYS 23 N 0.21 -0.09 -0.20 0.20 1.79 -0.78 -1.54 116.57 116.16 1xbl h LYS 23 Ca 0.24 0.01 0.05 0.00 -2.18 0.00 0.00 60.65 58.76 1xbl h LYS 23 Cb 0.32 0.02 -0.06 0.00 -1.58 0.00 0.00 32.23 30.93 1xbl h LYS 23 CO -0.32 0.07 -0.16 0.00 -1.08 0.00 0.00 179.45 177.96 1xbl h ALA 24 N 0.68 -0.02 -0.46 3.86 0.00 -0.57 0.95 119.26 123.71 1xbl h ALA 24 Ca -0.01 0.07 0.07 0.00 0.00 0.00 0.00 54.91 55.04 1xbl h ALA 24 Cb 0.20 0.34 -0.06 0.00 0.00 0.00 0.00 17.79 18.28 1xbl h ALA 24 CO 0.02 -0.59 0.12 -0.92 0.00 0.00 0.00 179.25 177.87 1xbl h TYR 25 N -0.16 0.19 0.38 0.00 3.20 -0.89 -0.42 116.97 119.28 1xbl h TYR 25 Ca 0.12 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 62.00 1xbl h TYR 25 Cb 0.34 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 38.60 1xbl h TYR 25 CO -0.31 0.04 -0.19 -0.22 -1.64 0.00 0.00 178.16 175.84 1xbl h LYS 26 N 0.26 -0.50 -0.93 1.82 3.11 -0.16 0.11 116.57 120.28 1xbl h LYS 26 Ca 0.22 0.03 0.07 0.00 -2.81 0.00 0.00 60.65 58.17 1xbl h LYS 26 Cb 0.27 0.11 -0.07 0.00 -1.00 0.00 0.00 32.23 31.54 1xbl h LYS 26 CO -0.27 -0.33 0.59 0.07 -2.81 0.00 0.00 179.45 176.69 1xbl h ARG 27 N -0.52 1.01 -0.14 1.90 0.11 -0.63 -1.89 114.38 114.22 1xbl h ARG 27 Ca -0.05 -0.06 -0.02 0.00 0.10 0.00 0.00 59.98 59.95 1xbl h ARG 27 Cb 0.40 -0.23 -0.01 0.00 1.11 0.00 0.00 29.97 31.25 1xbl h ARG 27 CO 0.08 0.67 0.02 -0.07 0.10 0.00 0.00 179.97 180.77 1xbl h LEU 28 N 1.04 0.23 -0.16 0.08 3.38 -0.78 0.26 115.31 119.37 1xbl h LEU 28 Ca 0.42 -0.27 0.05 0.00 0.09 0.00 0.00 57.88 58.16 1xbl h LEU 28 Cb 0.23 -0.06 -0.05 0.00 0.09 0.00 0.00 40.66 40.87 1xbl h LEU 28 CO -0.19 0.44 -0.16 0.00 0.09 0.00 0.00 178.44 178.62 1xbl h ALA 29 N 0.80 -0.05 0.00 1.53 0.00 -0.55 -0.04 119.26 120.94 1xbl h ALA 29 Ca 0.04 0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.93 1xbl h ALA 29 Cb 0.31 0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1xbl h ALA 29 CO 0.00 -0.60 -0.39 0.00 0.00 0.00 0.00 179.25 178.26 1xbl h MET 30 N -0.18 0.00 -0.75 0.00 -0.00 -1.21 -1.03 114.93 111.76 1xbl h MET 30 Ca 0.10 0.00 0.08 0.00 -0.00 0.00 0.00 59.70 59.89 1xbl h MET 30 Cb 0.33 0.00 -0.07 0.00 -0.00 0.00 0.00 31.60 31.87 1xbl h MET 30 CO -0.26 0.39 0.42 -0.22 -0.00 0.00 0.00 176.91 177.23 1xbl h LYS 31 N 0.00 0.70 0.34 -0.10 3.11 0.69 -3.21 116.57 118.11 1xbl h LYS 31 Ca -0.00 -0.04 -0.02 0.00 -2.81 0.00 0.00 60.65 57.78 1xbl h LYS 31 Cb 0.77 -0.16 0.00 0.00 -1.00 0.00 0.00 32.23 31.84 1xbl h LYS 31 CO 0.05 0.46 -0.17 1.88 -2.81 0.00 0.00 179.45 178.87 1xbl h TYR 32 N 0.72 -0.43 -5.62 1.91 -1.99 -0.08 -3.49 116.97 108.00 1xbl h TYR 32 Ca 0.36 -0.01 0.00 0.00 2.00 0.00 0.00 58.73 61.08 1xbl h TYR 32 Cb 0.30 0.14 -0.02 0.00 2.00 0.00 0.00 36.73 39.15 1xbl h TYR 32 CO -0.08 -0.27 -0.26 1.58 -0.00 0.00 0.00 178.16 179.13 1xbl n HIS 33 N -4.96 -0.80 -1.82 4.88 -0.00 -0.48 -4.63 115.22 107.40 1xbl n HIS 33 Ca -0.06 0.47 -0.26 0.00 -0.00 0.00 0.00 57.72 57.87 1xbl n HIS 33 Cb 0.18 -1.51 -0.08 0.00 -0.00 0.00 0.00 29.99 28.58 1xbl n HIS 33 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.34 175.99 1xbl n PRO 34 N 2.32 1.13 -2.67 1.57 -0.04 -1.26 -4.84 135.00 131.21 1xbl n PRO 34 Ca -0.06 -2.18 -0.42 0.00 -0.04 0.00 0.00 63.50 60.80 1xbl n PRO 34 Cb 0.10 -3.70 -0.03 0.00 -0.04 0.00 0.00 33.50 29.83 1xbl n PRO 34 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1xbl s ASP 35 N 6.96 6.57 -1.68 3.54 2.15 -1.26 -4.64 116.67 128.31 1xbl s ASP 35 Ca 0.71 -1.71 -0.16 0.00 0.43 0.00 0.00 52.55 51.82 1xbl s ASP 35 Cb -0.00 -2.52 0.16 0.00 -0.30 0.00 0.00 42.92 40.25 1xbl s ASP 35 CO 0.16 -1.35 0.39 -2.11 -0.17 0.00 0.00 175.17 172.09 1xbl n ARG 36 N 8.13 -0.79 -1.59 4.34 1.85 -1.26 -4.82 116.66 122.50 1xbl n ARG 36 Ca 0.32 0.12 -0.32 0.00 -1.00 0.00 0.00 57.85 56.96 1xbl n ARG 36 Cb 0.50 -4.12 -0.05 0.00 -1.05 0.00 0.00 32.46 27.75 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 -2.41 7.38 -4.43 2.89 5.15 -1.26 -4.84 115.26 117.74 1xbl n ASN 37 Ca -0.02 -2.96 -0.44 0.00 -0.60 0.00 0.00 54.58 50.56 1xbl n ASN 37 Cb 0.50 -1.37 -0.03 0.00 -0.53 0.00 0.00 39.78 38.34 1xbl n ASN 37 CO 0.00 0.00 0.00 -1.58 1.40 0.00 0.00 177.26 177.08 1xbl s GLN 38 N -0.39 3.39 0.00 1.20 -0.44 -1.26 -4.19 119.66 117.97 1xbl s GLN 38 Ca 0.60 -1.51 0.00 0.00 -2.50 0.00 0.00 55.36 51.95 1xbl s GLN 38 Cb 0.26 -4.62 0.00 0.00 -1.64 0.00 0.00 33.01 27.01 1xbl s GLN 38 CO -0.11 -1.72 0.00 0.41 0.50 0.00 0.00 175.29 174.37 1xbl n GLY 39 N 5.33 -1.49 3.68 2.59 0.00 -1.26 -5.16 105.19 108.88 1xbl n GLY 39 Ca 0.11 0.54 -0.30 0.00 0.00 0.00 0.00 46.02 46.38 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 0.00 3.02 -0.00 1.61 -1.08 -1.26 -4.99 116.67 113.96 1xbl s ASP 40 Ca 0.00 1.53 0.01 0.00 -0.52 0.00 0.00 52.55 53.57 1xbl s ASP 40 Cb 0.00 -2.19 -0.02 0.00 -1.46 0.00 0.00 42.92 39.25 1xbl s ASP 40 CO 0.00 -2.93 0.04 1.17 0.52 0.00 0.00 175.17 173.96 1xbl n LYS 41 N -4.08 2.03 -0.03 4.34 4.81 -1.26 -4.79 118.16 119.17 1xbl n LYS 41 Ca 0.07 -0.01 -0.13 0.00 -0.87 0.00 0.00 58.31 57.36 1xbl n LYS 41 Cb 0.55 -0.89 -0.09 0.00 0.02 0.00 0.00 35.03 34.62 1xbl n LYS 41 CO 0.00 0.00 0.00 1.05 1.17 0.00 0.00 177.40 179.62 1xbl h GLU 42 N 0.00 0.19 -0.84 1.64 4.11 -1.99 -3.09 114.58 114.60 1xbl h GLU 42 Ca 0.00 -0.12 0.14 0.00 0.07 0.00 0.00 59.36 59.45 1xbl h GLU 42 Cb 0.05 0.01 -0.09 0.00 0.50 0.00 0.00 28.75 29.22 1xbl h GLU 42 CO 0.00 0.69 0.43 0.00 0.07 0.00 0.00 179.01 180.20 1xbl h ALA 43 N 0.50 1.25 0.06 1.06 0.00 -1.98 0.38 119.26 120.53 1xbl h ALA 43 Ca 0.00 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 1xbl h ALA 43 Cb 0.68 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1xbl h ALA 43 CO 0.03 -0.07 -0.03 1.49 0.00 0.00 0.00 179.25 180.66 1xbl h GLU 44 N 0.63 -0.08 -0.56 0.00 4.57 -1.88 0.24 114.58 117.51 1xbl h GLU 44 Ca 0.45 0.01 0.06 0.00 -1.18 0.00 0.00 59.36 58.70 1xbl h GLU 44 Cb 0.61 0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 29.19 1xbl h GLU 44 CO -0.35 0.01 0.37 0.00 -1.18 0.00 0.00 179.01 177.86 1xbl h ALA 45 N 0.79 1.86 -0.12 2.92 0.00 -0.87 0.19 119.26 124.03 1xbl h ALA 45 Ca -0.01 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.75 1xbl h ALA 45 Cb 0.13 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1xbl h ALA 45 CO 0.01 0.05 -0.50 -0.22 0.00 0.00 0.00 179.25 178.59 1xbl h LYS 46 N 0.52 0.32 -0.01 0.00 3.64 0.37 0.03 116.57 121.44 1xbl h LYS 46 Ca 0.24 -0.19 -0.08 0.00 -1.27 0.00 0.00 60.65 59.36 1xbl h LYS 46 Cb 0.29 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.11 1xbl h LYS 46 CO -0.07 0.75 -0.36 0.35 -2.27 0.00 0.00 179.45 177.85 1xbl h PHE 47 N 0.25 0.02 -0.36 1.91 3.57 0.16 -2.78 116.94 119.71 1xbl h PHE 47 Ca 0.01 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.46 1xbl h PHE 47 Cb 0.98 -0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.70 1xbl h PHE 47 CO 0.02 0.38 0.05 0.87 -2.23 0.00 0.00 178.31 177.40 1xbl h LYS 48 N 0.01 0.60 -0.17 1.11 1.57 0.90 0.30 116.57 120.90 1xbl h LYS 48 Ca -0.00 -0.17 0.00 0.00 -1.87 0.00 0.00 60.65 58.61 1xbl h LYS 48 Cb 0.65 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.88 1xbl h LYS 48 CO 0.05 0.68 0.11 1.05 -0.57 0.00 0.00 179.45 180.77 1xbl h GLU 49 N 0.44 0.23 -0.39 3.15 4.11 -0.97 0.11 114.58 121.26 1xbl h GLU 49 Ca 0.11 -0.02 0.02 0.00 0.07 0.00 0.00 59.36 59.55 1xbl h GLU 49 Cb 0.37 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.54 1xbl h GLU 49 CO 0.01 0.17 0.21 0.82 0.07 0.00 0.00 179.01 180.28 1xbl h ILE 50 N 0.22 1.00 -0.02 -1.06 2.04 -1.41 0.87 117.51 119.15 1xbl h ILE 50 Ca 0.06 -0.14 -0.00 0.00 1.00 0.00 0.00 64.86 65.78 1xbl h ILE 50 Cb -0.01 0.54 -0.00 0.00 -0.74 0.00 0.00 36.82 36.61 1xbl h ILE 50 CO -0.01 0.08 0.01 0.50 0.00 0.00 0.00 178.15 178.72 1xbl h LYS 51 N 0.42 0.03 -0.09 2.37 3.11 -0.48 0.32 116.57 122.24 1xbl h LYS 51 Ca 0.16 -0.01 -0.01 0.00 -2.81 0.00 0.00 60.65 57.99 1xbl h LYS 51 Cb 0.05 -0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 31.27 1xbl h LYS 51 CO -0.10 0.20 0.03 1.49 -2.81 0.00 0.00 179.45 178.26 1xbl h GLU 52 N -0.15 0.14 -0.53 1.90 4.81 -0.64 -0.74 114.58 119.36 1xbl h GLU 52 Ca 0.01 -0.03 0.11 0.00 -0.13 0.00 0.00 59.36 59.31 1xbl h GLU 52 Cb 0.19 -0.02 -0.09 0.00 0.63 0.00 0.00 28.75 29.45 1xbl h GLU 52 CO -0.00 0.30 -0.03 0.00 -0.73 0.00 0.00 179.01 178.54 1xbl h ALA 53 N 0.84 0.47 -0.24 2.92 0.00 -0.79 0.16 119.26 122.61 1xbl h ALA 53 Ca 0.03 0.17 0.03 0.00 0.00 0.00 0.00 54.91 55.14 1xbl h ALA 53 Cb 0.21 0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1xbl h ALA 53 CO -0.00 -0.40 0.16 -0.92 0.00 0.00 0.00 179.25 178.09 1xbl h TYR 54 N 0.08 0.20 0.17 0.00 3.20 0.19 0.27 116.97 121.08 1xbl h TYR 54 Ca 0.27 0.00 -0.30 0.00 3.14 0.00 0.00 58.73 61.84 1xbl h TYR 54 Cb 0.41 -0.07 0.01 0.00 1.54 0.00 0.00 36.73 38.63 1xbl h TYR 54 CO -0.36 0.12 -1.36 1.49 -1.64 0.00 0.00 178.16 176.41 1xbl h GLU 55 N 0.21 0.35 -0.06 1.82 4.81 0.24 -3.35 114.58 118.61 1xbl h GLU 55 Ca 0.10 -0.60 -0.00 0.00 -0.13 0.00 0.00 59.36 58.73 1xbl h GLU 55 Cb 0.15 0.22 -0.00 0.00 0.63 0.00 0.00 28.75 29.75 1xbl h GLU 55 CO -0.02 1.28 0.02 0.28 -0.73 0.00 0.00 179.01 179.84 1xbl h VAL 56 N 0.10 1.16 0.00 0.32 2.07 0.42 -3.32 116.25 117.00 1xbl h VAL 56 Ca -0.19 -0.49 -0.07 0.00 0.82 0.00 0.00 66.70 66.78 1xbl h VAL 56 Cb 2.04 1.39 -0.02 0.00 -1.52 0.00 0.00 31.29 33.17 1xbl h VAL 56 CO 0.22 0.14 -0.13 0.18 0.02 0.00 0.00 177.57 178.00 1xbl n LEU 57 N -4.94 5.14 -1.87 2.57 4.77 -0.03 -2.51 117.00 120.13 1xbl n LEU 57 Ca -0.07 -2.61 -0.04 0.00 -0.03 0.00 0.00 56.01 53.27 1xbl n LEU 57 Cb 0.12 -1.19 0.07 0.00 -2.33 0.00 0.00 43.42 40.09 1xbl n LEU 57 CO 0.34 1.21 0.13 0.35 -1.33 0.00 0.00 177.39 178.09 1xbl n THR 58 N 1.87 1.47 -2.99 -5.08 -2.24 -1.25 -4.40 114.28 101.66 1xbl n THR 58 Ca 0.15 -2.85 -0.13 0.00 -2.27 0.00 0.00 64.05 58.94 1xbl n THR 58 Cb 0.63 0.31 0.01 0.00 -2.10 0.00 0.00 70.33 69.18 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 -0.47 -7.38 0.00 3.42 2.03 -1.26 -5.00 116.55 107.90 1xbl n ASP 59 Ca 0.18 0.51 0.00 0.00 0.52 0.00 0.00 54.79 56.00 1xbl n ASP 59 Cb 0.91 -4.41 0.00 0.00 -0.72 0.00 0.00 41.12 36.90 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 -0.06 0.00 -0.02 1.67 7.64 -1.21 -4.96 113.62 116.68 1xbl n SER 60 Ca 0.05 0.00 -0.02 0.00 1.01 0.00 0.00 58.87 59.91 1xbl n SER 60 Cb 0.45 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.63 1xbl n SER 60 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 1xbl n GLN 61 N 0.00 1.08 -0.31 1.43 7.27 -1.26 -4.48 117.38 121.10 1xbl n GLN 61 Ca 0.00 0.01 0.17 0.00 0.07 0.00 0.00 57.00 57.25 1xbl n GLN 61 Cb 0.00 -1.07 0.36 0.00 2.41 0.00 0.00 30.24 31.94 1xbl n GLN 61 CO 0.00 0.00 0.00 0.87 0.07 0.00 0.00 177.06 178.00 1xbl h LYS 62 N 0.00 0.32 -3.42 3.69 1.57 -1.95 0.11 116.57 116.89 1xbl h LYS 62 Ca -0.07 -0.02 -0.72 0.00 -1.87 0.00 0.00 60.65 57.96 1xbl h LYS 62 Cb 1.13 -0.07 -0.34 0.00 0.08 0.00 0.00 32.23 33.03 1xbl h LYS 62 CO -0.01 0.21 -0.02 0.50 -0.57 0.00 0.00 179.45 179.56 1xbl s ARG 63 N -5.83 3.37 0.00 3.15 3.52 -1.04 -4.42 118.95 117.70 1xbl s ARG 63 Ca -0.11 -3.14 0.00 0.00 -0.13 0.00 0.00 55.73 52.35 1xbl s ARG 63 Cb 0.27 -4.06 0.00 0.00 -1.56 0.00 0.00 34.95 29.60 1xbl s ARG 63 CO 0.78 -1.25 0.00 0.00 -0.81 0.00 0.00 175.30 174.02 1xbl n ALA 64 N 2.62 0.00 0.21 6.12 0.00 -0.67 -3.36 120.51 125.43 1xbl n ALA 64 Ca 0.20 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.48 1xbl n ALA 64 Cb 0.38 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.75 1xbl n ALA 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xbl h ALA 65 N 0.00 -0.80 -0.69 0.00 0.00 -1.02 0.28 119.26 117.03 1xbl h ALA 65 Ca 0.00 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 1xbl h ALA 65 Cb 0.00 0.58 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 1xbl h ALA 65 CO 0.00 -0.99 0.25 1.88 0.00 0.00 0.00 179.25 180.39 1xbl h TYR 66 N -0.75 1.07 -0.55 0.00 0.05 -1.82 -1.64 116.97 113.33 1xbl h TYR 66 Ca -0.02 -0.09 -0.10 0.00 0.05 0.00 0.00 58.73 58.57 1xbl h TYR 66 Cb 0.69 -0.32 -0.02 0.00 1.01 0.00 0.00 36.73 38.10 1xbl h TYR 66 CO -0.24 0.84 -0.04 -0.44 -1.05 0.00 0.00 178.16 177.23 1xbl h ASP 67 N 0.99 0.96 0.00 3.88 5.19 -1.85 -0.13 116.42 125.45 1xbl h ASP 67 Ca 0.23 -0.28 0.00 0.00 -0.62 0.00 0.00 57.03 56.36 1xbl h ASP 67 Cb 0.24 -0.26 0.00 0.00 0.18 0.00 0.00 39.33 39.50 1xbl h ASP 67 CO -0.01 1.04 0.00 1.67 -3.12 0.00 0.00 179.24 178.81 1xbl n GLN 68 N -4.17 0.00 -2.97 3.56 7.27 0.94 -4.82 117.38 117.19 1xbl n GLN 68 Ca 0.02 0.47 -0.01 0.00 0.07 0.00 0.00 57.00 57.56 1xbl n GLN 68 Cb 0.36 -1.45 0.00 0.00 2.41 0.00 0.00 30.24 31.56 1xbl n GLN 68 CO 0.00 0.00 0.00 0.71 0.07 0.00 0.00 177.06 177.84 1xbl s TYR 69 N -2.79 -1.35 0.63 3.69 2.02 -0.62 -4.98 117.35 113.94 1xbl s TYR 69 Ca 0.00 -0.03 0.32 0.00 -0.37 0.00 0.00 57.07 56.99 1xbl s TYR 69 Cb 0.00 0.26 1.76 0.00 -0.40 0.00 0.00 41.96 43.57 1xbl s TYR 69 CO 0.00 -0.97 2.06 0.78 -1.57 0.00 0.00 175.55 175.85 1xbl h GLY 70 N 5.96 0.00 -6.16 0.71 0.00 -1.05 -2.21 103.07 100.32 1xbl h GLY 70 Ca 0.03 0.00 -0.75 0.00 0.00 0.00 0.00 47.33 46.61 1xbl h GLY 70 CO 0.03 0.00 0.55 1.42 0.00 0.00 0.00 176.54 178.54 1xbl n HIS 71 N -3.36 3.00 -1.51 5.60 8.25 -1.26 -4.81 115.22 121.12 1xbl n HIS 71 Ca 0.00 -2.96 -0.00 0.00 -0.26 0.00 0.00 57.72 54.51 1xbl n HIS 71 Cb 0.35 -1.02 0.00 0.00 1.12 0.00 0.00 29.99 30.44 1xbl n HIS 71 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1xbl n ALA 72 N 0.19 -2.53 0.01 -1.41 0.00 -1.06 -5.05 120.51 110.66 1xbl n ALA 72 Ca 0.39 0.01 -0.01 0.00 0.00 0.00 0.00 53.44 53.83 1xbl n ALA 72 Cb 0.31 -0.03 -0.00 0.00 0.00 0.00 0.00 19.45 19.73 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 0.01 -0.28 -0.36 0.00 0.00 -1.72 -3.37 119.26 113.55 1xbl h ALA 73 Ca 0.00 -0.01 -0.72 0.00 0.00 0.00 0.00 54.91 54.18 1xbl h ALA 73 Cb 0.32 0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.06 1xbl h ALA 73 CO 0.00 -0.27 2.93 1.97 0.00 0.00 0.00 179.25 183.88 1xbl n PHE 74 N -2.35 2.85 -1.55 0.00 -1.74 -1.26 -4.26 117.46 109.15 1xbl n PHE 74 Ca -0.01 -2.93 0.01 0.00 -0.56 0.00 0.00 57.45 53.96 1xbl n PHE 74 Cb 0.02 -2.23 0.01 0.00 1.52 0.00 0.00 39.48 38.79 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 3.82 0.18 0.00 3.97 2.13 -1.26 -5.27 120.64 124.21 1xbl n GLU 75 Ca 0.60 -0.95 0.02 0.00 0.66 0.00 0.00 57.16 57.48 1xbl n GLU 75 Cb 0.30 -0.58 0.09 0.00 0.27 0.00 0.00 31.44 31.53 1xbl n GLU 75 CO 0.00 0.00 0.00 0.94 -0.41 0.00 0.00 177.13 177.66