#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xbl n LYS 3 N 0.00 0.00 -1.61 0.00 4.01 -1.26 -4.98 118.16 114.32 1xbl n LYS 3 Ca 0.00 0.00 -0.15 0.00 -0.51 0.00 0.00 58.31 57.65 1xbl n LYS 3 Cb 0.00 0.00 -0.11 0.00 -0.51 0.00 0.00 35.03 34.41 1xbl n LYS 3 CO 0.00 0.00 0.00 -1.14 -1.11 0.00 0.00 177.40 175.15 1xbl s GLN 4 N -3.99 1.27 -0.07 1.97 2.00 -1.26 -4.89 119.66 114.69 1xbl s GLN 4 Ca 0.00 -0.28 -0.21 0.00 -2.00 0.00 0.00 55.36 52.87 1xbl s GLN 4 Cb 0.00 -4.95 -0.04 0.00 0.80 0.00 0.00 33.01 28.82 1xbl s GLN 4 CO 0.00 -5.30 0.59 0.34 -0.50 0.00 0.00 175.29 170.42 1xbl s ASP 5 N 8.92 6.87 0.00 6.67 -1.08 -1.26 -4.87 116.67 131.92 1xbl s ASP 5 Ca 0.83 1.04 0.00 0.00 -0.52 0.00 0.00 52.55 53.90 1xbl s ASP 5 Cb -0.06 -2.35 0.00 0.00 -1.46 0.00 0.00 42.92 39.04 1xbl s ASP 5 CO 0.16 -0.02 0.16 -1.22 0.52 0.00 0.00 175.17 174.77 1xbl n TYR 6 N 3.49 0.00 -0.06 -5.34 4.01 -1.26 -4.87 117.16 113.12 1xbl n TYR 6 Ca -0.05 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.61 1xbl n TYR 6 Cb 0.51 0.02 -0.06 0.00 -0.31 0.00 0.00 39.34 39.50 1xbl n TYR 6 CO 0.00 0.00 0.00 2.48 -0.46 0.00 0.00 176.86 178.88 1xbl n TYR 7 N 0.00 0.00 0.23 -0.72 0.18 -1.26 -3.81 117.16 111.78 1xbl n TYR 7 Ca 0.00 0.00 0.10 0.00 1.88 0.00 0.00 57.90 59.88 1xbl n TYR 7 Cb 0.35 -0.48 0.49 0.00 -0.38 0.00 0.00 39.34 39.32 1xbl n TYR 7 CO 0.00 0.00 0.00 1.49 -2.08 0.00 0.00 176.86 176.27 1xbl h GLU 8 N 0.00 0.00 0.73 -3.48 4.22 -1.88 0.37 114.58 114.53 1xbl h GLU 8 Ca -0.28 0.00 -0.03 0.00 0.08 0.00 0.00 59.36 59.13 1xbl h GLU 8 Cb 1.46 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.71 1xbl h GLU 8 CO -0.04 0.21 -0.38 0.82 -2.18 0.00 0.00 179.01 177.45 1xbl h ILE 9 N 0.00 0.23 0.00 2.32 2.04 -1.90 -2.45 117.51 117.75 1xbl h ILE 9 Ca -0.00 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.80 1xbl h ILE 9 Cb 0.71 0.23 -0.01 0.00 -0.74 0.00 0.00 36.82 37.01 1xbl h ILE 9 CO 0.03 0.00 -0.26 -0.07 0.00 0.00 0.00 178.15 177.85 1xbl h LEU 10 N -1.01 0.00 -1.35 1.44 3.38 -1.60 -3.47 115.31 112.69 1xbl h LEU 10 Ca -0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.87 1xbl h LEU 10 Cb 0.79 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.54 1xbl h LEU 10 CO 0.14 0.26 0.00 0.61 0.09 0.00 0.00 178.44 179.54 1xbl n GLY 11 N -0.78 0.55 3.38 0.83 0.00 0.04 -4.95 105.19 104.27 1xbl n GLY 11 Ca -0.02 -0.33 -0.19 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.31 0.78 1.00 1.61 0.11 -0.75 -5.01 120.40 115.83 1xbl s VAL 12 Ca 0.00 -2.00 -0.12 0.00 -2.93 0.00 0.00 61.98 56.93 1xbl s VAL 12 Cb 0.00 -2.67 0.19 0.00 -1.53 0.00 0.00 36.38 32.37 1xbl s VAL 12 CO 0.00 0.00 1.08 -0.55 -3.33 0.00 0.00 175.10 172.30 1xbl s SER 13 N -3.40 2.55 0.05 3.54 0.15 -1.26 -4.34 113.70 110.99 1xbl s SER 13 Ca 0.36 1.39 -0.27 0.00 0.70 0.00 0.00 55.95 58.13 1xbl s SER 13 Cb 0.08 -2.07 -0.14 0.00 -1.71 0.00 0.00 66.02 62.18 1xbl s SER 13 CO 0.15 -3.20 1.41 0.11 1.20 0.00 0.00 173.24 172.91 1xbl h LYS 14 N -1.94 -0.84 -0.70 5.44 1.57 -2.01 -3.09 116.57 115.00 1xbl h LYS 14 Ca -0.54 0.06 -0.24 0.00 -1.87 0.00 0.00 60.65 58.06 1xbl h LYS 14 Cb 1.31 0.19 -0.14 0.00 0.08 0.00 0.00 32.23 33.67 1xbl h LYS 14 CO 0.54 -0.56 0.27 0.25 -0.57 0.00 0.00 179.45 179.39 1xbl n THR 15 N -4.69 2.89 -1.57 -0.16 -2.24 -1.26 -4.78 114.28 102.47 1xbl n THR 15 Ca -0.11 -1.83 -0.46 0.00 -2.27 0.00 0.00 64.05 59.39 1xbl n THR 15 Cb 0.37 -0.36 -0.02 0.00 -2.10 0.00 0.00 70.33 68.21 1xbl n THR 15 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xbl n ALA 16 N -0.45 -0.66 -1.76 6.98 0.00 -1.17 -4.93 120.51 118.52 1xbl n ALA 16 Ca 0.42 0.41 -0.39 0.00 0.00 0.00 0.00 53.44 53.88 1xbl n ALA 16 Cb 1.36 -1.98 0.02 0.00 0.00 0.00 0.00 19.45 18.86 1xbl n ALA 16 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1xbl s GLU 17 N -1.21 3.54 0.28 0.00 -6.30 -1.26 -4.79 118.70 108.96 1xbl s GLU 17 Ca 0.63 2.35 0.02 0.00 -2.50 0.00 0.00 54.97 55.46 1xbl s GLU 17 Cb -0.76 -2.54 0.58 0.00 0.00 0.00 0.00 34.13 31.41 1xbl s GLU 17 CO 0.58 -0.91 1.82 1.49 0.02 0.00 0.00 175.26 178.26 1xbl h GLU 18 N 2.08 0.91 -0.95 4.30 4.22 -1.98 0.28 114.58 123.44 1xbl h GLU 18 Ca -0.51 -0.05 0.17 0.00 0.08 0.00 0.00 59.36 59.04 1xbl h GLU 18 Cb 1.27 -0.20 -0.10 0.00 0.50 0.00 0.00 28.75 30.22 1xbl h GLU 18 CO 0.60 0.60 0.55 -0.09 -2.18 0.00 0.00 179.01 178.49 1xbl h ARG 19 N 0.93 0.72 -0.12 1.92 1.12 -1.99 0.28 114.38 117.24 1xbl h ARG 19 Ca 0.51 -0.04 -0.23 0.00 -1.11 0.00 0.00 59.98 59.11 1xbl h ARG 19 Cb 0.57 -0.16 0.01 0.00 -0.01 0.00 0.00 29.97 30.38 1xbl h ARG 19 CO -0.29 0.47 -0.84 1.49 -3.11 0.00 0.00 179.97 177.69 1xbl h GLU 20 N 0.74 0.76 -0.87 0.20 4.81 -1.34 -2.97 114.58 115.91 1xbl h GLU 20 Ca 0.53 -0.66 0.12 0.00 -0.13 0.00 0.00 59.36 59.22 1xbl h GLU 20 Cb 0.76 0.15 -0.08 0.00 0.63 0.00 0.00 28.75 30.21 1xbl h GLU 20 CO -0.36 1.26 0.49 0.82 -0.73 0.00 0.00 179.01 180.48 1xbl h ILE 21 N 0.50 0.83 0.00 2.32 1.08 -0.13 0.81 117.51 122.93 1xbl h ILE 21 Ca -0.07 -0.26 -0.02 0.00 -0.39 0.00 0.00 64.86 64.12 1xbl h ILE 21 Cb 1.47 0.01 -0.00 0.00 -3.07 0.00 0.00 36.82 35.23 1xbl h ILE 21 CO 0.17 0.14 -0.09 -0.09 -0.69 0.00 0.00 178.15 177.58 1xbl h ARG 22 N 0.76 0.00 0.41 2.37 9.65 -0.40 0.18 114.38 127.35 1xbl h ARG 22 Ca 0.44 0.00 -0.02 0.00 -1.10 0.00 0.00 59.98 59.30 1xbl h ARG 22 Cb 0.51 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.10 1xbl h ARG 22 CO -0.30 0.09 -0.20 0.87 2.80 0.00 0.00 179.97 183.24 1xbl h LYS 23 N 0.00 -0.53 0.17 0.20 1.79 -0.78 -3.11 116.57 114.30 1xbl h LYS 23 Ca -0.00 0.04 -0.00 0.00 -2.18 0.00 0.00 60.65 58.50 1xbl h LYS 23 Cb 0.22 0.12 -0.01 0.00 -1.58 0.00 0.00 32.23 30.99 1xbl h LYS 23 CO 0.01 -0.29 -0.12 0.00 -1.08 0.00 0.00 179.45 177.97 1xbl h ALA 24 N -0.97 -0.27 -0.23 3.86 0.00 -0.35 0.11 119.26 121.40 1xbl h ALA 24 Ca -0.06 -0.05 0.05 0.00 0.00 0.00 0.00 54.91 54.86 1xbl h ALA 24 Cb 0.49 0.16 -0.06 0.00 0.00 0.00 0.00 17.79 18.38 1xbl h ALA 24 CO 0.09 -0.66 -0.13 -0.92 0.00 0.00 0.00 179.25 177.63 1xbl h TYR 25 N -0.29 -0.32 0.10 0.00 3.20 -0.86 0.72 116.97 119.52 1xbl h TYR 25 Ca -0.01 0.03 0.02 0.00 3.14 0.00 0.00 58.73 61.91 1xbl h TYR 25 Cb 0.26 0.18 -0.03 0.00 1.54 0.00 0.00 36.73 38.67 1xbl h TYR 25 CO -0.10 -0.20 -0.25 -0.22 -1.64 0.00 0.00 178.16 175.75 1xbl h LYS 26 N -0.11 -0.43 -0.20 1.82 3.64 -1.42 -0.61 116.57 119.26 1xbl h LYS 26 Ca 0.13 0.03 0.05 0.00 -1.27 0.00 0.00 60.65 59.59 1xbl h LYS 26 Cb 0.30 0.10 -0.05 0.00 -0.41 0.00 0.00 32.23 32.17 1xbl h LYS 26 CO -0.30 -0.29 -0.14 -0.09 -2.27 0.00 0.00 179.45 176.37 1xbl h ARG 27 N -0.45 -0.13 -0.49 1.90 2.43 0.14 -2.22 114.38 115.57 1xbl h ARG 27 Ca 0.03 0.01 -0.13 0.00 -0.81 0.00 0.00 59.98 59.08 1xbl h ARG 27 Cb 0.48 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.05 1xbl h ARG 27 CO -0.16 -0.08 -0.22 -0.07 -1.51 0.00 0.00 179.97 177.93 1xbl h LEU 28 N -0.13 1.04 -1.70 3.80 4.07 -0.77 -2.33 115.31 119.28 1xbl h LEU 28 Ca 0.12 -0.39 0.16 0.00 0.08 0.00 0.00 57.88 57.84 1xbl h LEU 28 Cb 0.30 -0.29 -0.04 0.00 1.08 0.00 0.00 40.66 41.72 1xbl h LEU 28 CO -0.28 1.20 0.49 0.00 -1.08 0.00 0.00 178.44 178.77 1xbl h ALA 29 N 0.87 2.26 -0.00 1.53 0.00 -0.54 0.12 119.26 123.50 1xbl h ALA 29 Ca 0.11 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1xbl h ALA 29 Cb 0.80 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1xbl h ALA 29 CO 0.07 -0.46 -0.34 -1.33 0.00 0.00 0.00 179.25 177.19 1xbl n MET 30 N -4.44 0.48 -0.00 0.00 2.81 -0.90 -3.90 117.12 111.17 1xbl n MET 30 Ca 0.14 -0.27 -0.18 0.00 -1.81 0.00 0.00 57.70 55.58 1xbl n MET 30 Cb 0.59 -1.49 -0.09 0.00 -0.71 0.00 0.00 33.22 31.51 1xbl n MET 30 CO 0.00 0.00 0.00 -0.22 1.51 0.00 0.00 175.97 177.26 1xbl h LYS 31 N 0.66 0.62 -0.92 0.03 1.63 -0.22 -3.20 116.57 115.17 1xbl h LYS 31 Ca 0.00 -0.58 -0.61 0.00 -0.85 0.00 0.00 60.65 58.61 1xbl h LYS 31 Cb 0.49 0.14 -0.37 0.00 -0.60 0.00 0.00 32.23 31.90 1xbl h LYS 31 CO 0.00 1.19 -0.06 2.48 -3.45 0.00 0.00 179.45 179.61 1xbl n TYR 32 N -4.05 2.98 -1.27 1.91 0.18 -1.23 -5.07 117.16 110.61 1xbl n TYR 32 Ca -0.09 -2.59 -0.48 0.00 1.88 0.00 0.00 57.90 56.61 1xbl n TYR 32 Cb 0.73 -0.81 -0.06 0.00 -0.38 0.00 0.00 39.34 38.82 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 -0.78 0.27 0.00 -3.48 -0.00 -1.21 -4.85 115.22 105.17 1xbl n HIS 33 Ca 0.52 0.89 0.00 0.00 0.46 0.00 0.00 57.72 59.59 1xbl n HIS 33 Cb 0.81 -1.77 0.00 0.00 -0.12 0.00 0.00 29.99 28.91 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 1.17 0.00 -2.46 1.57 -0.04 -1.26 -4.73 135.00 129.25 1xbl n PRO 34 Ca 0.17 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.54 1xbl n PRO 34 Cb 0.11 -0.47 0.01 0.00 -0.04 0.00 0.00 33.50 33.11 1xbl n PRO 34 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1xbl n ASP 35 N -0.15 -4.26 0.00 3.54 5.75 -1.26 -0.43 116.55 119.73 1xbl n ASP 35 Ca 0.00 0.15 0.00 0.00 -0.01 0.00 0.00 54.79 54.93 1xbl n ASP 35 Cb 0.00 -1.08 0.00 0.00 -1.03 0.00 0.00 41.12 39.01 1xbl n ASP 35 CO 0.00 0.00 0.00 -2.11 -0.11 0.00 0.00 177.20 174.98 1xbl n ARG 36 N 0.68 0.00 -3.93 0.11 1.85 -1.26 -4.62 116.66 109.49 1xbl n ARG 36 Ca -0.02 0.00 -0.29 0.00 -1.00 0.00 0.00 57.85 56.54 1xbl n ARG 36 Cb 0.38 -2.64 -0.03 0.00 -1.05 0.00 0.00 32.46 29.12 1xbl n ARG 36 CO 0.00 0.00 0.00 0.27 -0.01 0.00 0.00 177.63 177.89 1xbl n ASN 37 N 0.00 -1.03 -4.66 2.89 6.94 0.43 -4.70 115.26 115.13 1xbl n ASN 37 Ca 0.00 -0.97 -0.42 0.00 -0.02 0.00 0.00 54.58 53.17 1xbl n ASN 37 Cb 0.00 -1.19 -0.03 0.00 -2.36 0.00 0.00 39.78 36.20 1xbl n ASN 37 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1xbl s GLN 38 N -6.57 4.10 0.00 -3.83 -2.07 -1.26 -1.87 119.66 108.17 1xbl s GLN 38 Ca 0.17 2.51 0.00 0.00 -1.82 0.00 0.00 55.36 56.23 1xbl s GLN 38 Cb -0.10 -4.14 0.00 0.00 -1.09 0.00 0.00 33.01 27.68 1xbl s GLN 38 CO 0.74 -0.99 0.00 0.41 -1.32 0.00 0.00 175.29 174.13 1xbl n GLY 39 N 4.53 1.50 3.64 2.60 0.00 -1.26 -4.96 105.19 111.23 1xbl n GLY 39 Ca 0.20 -0.01 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 1xbl n GLY 39 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1xbl n ASP 40 N 3.19 1.73 0.00 1.61 2.03 -0.78 -4.87 116.55 119.46 1xbl n ASP 40 Ca 0.00 1.10 0.00 0.00 0.52 0.00 0.00 54.79 56.41 1xbl n ASP 40 Cb 0.00 -1.39 0.00 0.00 -0.72 0.00 0.00 41.12 39.01 1xbl n ASP 40 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1xbl n LYS 41 N 0.28 0.00 -0.36 -0.67 5.02 -1.26 -4.85 118.16 116.33 1xbl n LYS 41 Ca 0.08 0.00 0.11 0.00 -2.02 0.00 0.00 58.31 56.49 1xbl n LYS 41 Cb 0.38 -0.17 0.30 0.00 -0.02 0.00 0.00 35.03 35.51 1xbl n LYS 41 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 1xbl h GLU 42 N 0.00 0.80 -0.90 1.97 4.81 -2.00 -0.37 114.58 118.89 1xbl h GLU 42 Ca 0.00 -0.05 0.25 0.00 -0.13 0.00 0.00 59.36 59.43 1xbl h GLU 42 Cb 0.00 -0.18 -0.14 0.00 0.63 0.00 0.00 28.75 29.06 1xbl h GLU 42 CO 0.00 0.53 0.32 0.00 -0.73 0.00 0.00 179.01 179.13 1xbl h ALA 43 N 1.62 1.41 0.77 2.92 0.00 -1.88 0.29 119.26 124.39 1xbl h ALA 43 Ca 0.56 0.21 -0.04 0.00 0.00 0.00 0.00 54.91 55.64 1xbl h ALA 43 Cb 0.79 0.26 0.01 0.00 0.00 0.00 0.00 17.79 18.85 1xbl h ALA 43 CO -0.35 -0.46 -0.37 0.93 0.00 0.00 0.00 179.25 178.99 1xbl h GLU 44 N 0.26 -1.00 -0.46 0.00 4.39 -1.41 0.19 114.58 116.55 1xbl h GLU 44 Ca 0.58 0.07 0.03 0.00 0.34 0.00 0.00 59.36 60.38 1xbl h GLU 44 Cb 1.19 0.23 -0.02 0.00 -0.10 0.00 0.00 28.75 30.05 1xbl h GLU 44 CO -0.63 -0.66 0.30 0.00 -1.16 0.00 0.00 179.01 176.87 1xbl h ALA 45 N -0.86 1.79 -0.03 3.43 0.00 -1.03 0.47 119.26 123.02 1xbl h ALA 45 Ca -0.11 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 1xbl h ALA 45 Cb 0.80 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.45 1xbl h ALA 45 CO 0.17 0.16 -0.01 -0.22 0.00 0.00 0.00 179.25 179.35 1xbl h LYS 46 N 0.51 0.07 -0.58 0.00 3.64 -0.38 -2.80 116.57 117.03 1xbl h LYS 46 Ca 0.18 -0.03 0.07 0.00 -1.27 0.00 0.00 60.65 59.61 1xbl h LYS 46 Cb 0.09 -0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 31.88 1xbl h LYS 46 CO -0.05 0.43 0.39 0.35 -2.27 0.00 0.00 179.45 178.30 1xbl h PHE 47 N -0.30 0.51 -0.03 1.91 3.57 0.92 -2.38 116.94 121.14 1xbl h PHE 47 Ca 0.01 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.53 1xbl h PHE 47 Cb 0.40 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 38.97 1xbl h PHE 47 CO 0.06 0.27 0.00 0.87 -2.23 0.00 0.00 178.31 177.27 1xbl h LYS 48 N 0.50 0.01 -0.90 1.11 1.57 0.13 0.35 116.57 119.35 1xbl h LYS 48 Ca 0.26 -0.00 0.04 0.00 -1.87 0.00 0.00 60.65 59.07 1xbl h LYS 48 Cb 0.36 -0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.61 1xbl h LYS 48 CO -0.07 0.01 0.58 0.93 -0.57 0.00 0.00 179.45 180.32 1xbl h GLU 49 N 0.01 1.08 -0.11 3.15 5.08 -1.27 0.37 114.58 122.89 1xbl h GLU 49 Ca 0.02 -0.06 -0.18 0.00 -1.00 0.00 0.00 59.36 58.13 1xbl h GLU 49 Cb 0.02 -0.24 -0.00 0.00 0.50 0.00 0.00 28.75 29.02 1xbl h GLU 49 CO -0.03 0.71 -0.69 0.82 -1.00 0.00 0.00 179.01 178.83 1xbl h ILE 50 N 1.11 1.36 0.02 3.13 2.04 -1.09 0.26 117.51 124.34 1xbl h ILE 50 Ca 0.36 -2.04 -0.23 0.00 1.00 0.00 0.00 64.86 63.95 1xbl h ILE 50 Cb 0.03 2.02 0.00 0.00 -0.74 0.00 0.00 36.82 38.13 1xbl h ILE 50 CO -0.13 0.62 -0.99 0.50 0.00 0.00 0.00 178.15 178.16 1xbl h LYS 51 N 0.33 0.36 0.26 2.37 1.63 0.16 -0.85 116.57 120.83 1xbl h LYS 51 Ca -0.02 -0.42 -0.01 0.00 -0.85 0.00 0.00 60.65 59.34 1xbl h LYS 51 Cb 1.26 0.13 0.00 0.00 -0.60 0.00 0.00 32.23 33.02 1xbl h LYS 51 CO 0.12 1.11 -0.13 1.49 -3.45 0.00 0.00 179.45 178.60 1xbl h GLU 52 N 0.19 -0.34 -0.43 1.90 4.57 -0.23 0.25 114.58 120.50 1xbl h GLU 52 Ca -0.09 0.02 0.09 0.00 -1.18 0.00 0.00 59.36 58.21 1xbl h GLU 52 Cb 1.64 0.08 -0.09 0.00 -0.16 0.00 0.00 28.75 30.21 1xbl h GLU 52 CO 0.17 -0.18 -0.19 0.00 -1.18 0.00 0.00 179.01 177.63 1xbl h ALA 53 N 0.30 0.13 -0.48 2.92 0.00 -0.91 0.13 119.26 121.34 1xbl h ALA 53 Ca -0.04 0.15 0.08 0.00 0.00 0.00 0.00 54.91 55.10 1xbl h ALA 53 Cb 0.32 0.48 -0.06 0.00 0.00 0.00 0.00 17.79 18.52 1xbl h ALA 53 CO 0.06 -0.55 0.11 -0.92 0.00 0.00 0.00 179.25 177.95 1xbl h TYR 54 N -0.11 0.18 0.00 0.00 5.03 -0.83 0.95 116.97 122.19 1xbl h TYR 54 Ca 0.21 0.03 -0.00 0.00 2.58 0.00 0.00 58.73 61.54 1xbl h TYR 54 Cb 0.43 -0.01 -0.00 0.00 1.55 0.00 0.00 36.73 38.70 1xbl h TYR 54 CO -0.45 0.02 -0.00 1.49 -1.32 0.00 0.00 178.16 177.90 1xbl h GLU 55 N 0.25 0.00 0.07 1.82 4.81 0.19 -2.37 114.58 119.35 1xbl h GLU 55 Ca 0.24 0.00 -0.36 0.00 -0.13 0.00 0.00 59.36 59.10 1xbl h GLU 55 Cb 0.30 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.65 1xbl h GLU 55 CO -0.30 0.00 -2.10 0.28 -0.73 0.00 0.00 179.01 176.16 1xbl n VAL 56 N -3.63 1.67 0.00 0.32 0.31 0.16 -4.00 118.33 113.17 1xbl n VAL 56 Ca -0.03 -0.66 0.00 0.00 -0.01 0.00 0.00 64.34 63.64 1xbl n VAL 56 Cb 0.08 -1.51 0.00 0.00 -0.91 0.00 0.00 33.84 31.50 1xbl n VAL 56 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1xbl n LEU 57 N -3.34 0.21 -1.08 7.52 4.77 0.24 -2.90 117.00 122.41 1xbl n LEU 57 Ca -0.34 0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 55.63 1xbl n LEU 57 Cb 1.04 0.00 0.10 0.00 -2.33 0.00 0.00 43.42 42.23 1xbl n LEU 57 CO 0.39 0.00 0.55 1.07 -1.33 0.00 0.00 177.39 178.07 1xbl n THR 58 N -0.04 1.13 -3.68 -5.08 5.66 -1.25 -4.57 114.28 106.46 1xbl n THR 58 Ca 0.00 -0.48 -0.10 0.00 -3.05 0.00 0.00 64.05 60.43 1xbl n THR 58 Cb 0.00 -0.58 -0.10 0.00 -1.55 0.00 0.00 70.33 68.10 1xbl n THR 58 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1xbl s ASP 59 N -0.04 -0.54 0.06 1.09 -1.08 -1.23 -5.04 116.67 109.89 1xbl s ASP 59 Ca 0.17 1.00 0.00 0.00 -0.52 0.00 0.00 52.55 53.20 1xbl s ASP 59 Cb 0.13 0.97 0.00 0.00 -1.46 0.00 0.00 42.92 42.56 1xbl s ASP 59 CO 0.04 -0.21 0.00 -1.54 0.52 0.00 0.00 175.17 173.99 1xbl n SER 60 N 4.47 -5.06 0.00 -0.34 3.41 -1.26 -3.11 113.62 111.73 1xbl n SER 60 Ca -0.20 0.66 0.02 0.00 -0.26 0.00 0.00 58.87 59.09 1xbl n SER 60 Cb 0.55 -2.75 0.08 0.00 -0.26 0.00 0.00 64.21 61.82 1xbl n SER 60 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 1xbl n GLN 61 N 0.80 0.04 -0.45 4.33 7.27 -1.26 -2.82 117.38 125.28 1xbl n GLN 61 Ca 0.00 0.29 0.38 0.00 0.07 0.00 0.00 57.00 57.74 1xbl n GLN 61 Cb 0.00 -1.50 0.64 0.00 2.41 0.00 0.00 30.24 31.79 1xbl n GLN 61 CO 0.00 0.00 0.00 1.63 0.07 0.00 0.00 177.06 178.76 1xbl n LYS 62 N -1.33 -0.03 0.47 3.69 5.02 -1.26 -0.71 118.16 124.00 1xbl n LYS 62 Ca 0.01 1.18 -0.20 0.00 -2.02 0.00 0.00 58.31 57.29 1xbl n LYS 62 Cb 0.03 -2.33 -0.10 0.00 -0.02 0.00 0.00 35.03 32.60 1xbl n LYS 62 CO 0.00 0.00 0.00 -0.09 -0.52 0.00 0.00 177.40 176.79 1xbl h ARG 63 N 0.00 -1.21 -0.75 1.97 1.12 -1.39 0.71 114.38 114.83 1xbl h ARG 63 Ca 0.83 0.08 -0.06 0.00 -1.11 0.00 0.00 59.98 59.72 1xbl h ARG 63 Cb 2.68 0.28 -0.03 0.00 -0.01 0.00 0.00 29.97 32.88 1xbl h ARG 63 CO -0.44 -0.81 0.23 0.00 -3.11 0.00 0.00 179.97 175.84 1xbl h ALA 64 N -1.21 0.98 -0.45 2.80 0.00 -1.20 -0.63 119.26 119.53 1xbl h ALA 64 Ca -0.12 -0.23 0.08 0.00 0.00 0.00 0.00 54.91 54.64 1xbl h ALA 64 Cb 0.99 -0.29 -0.06 0.00 0.00 0.00 0.00 17.79 18.43 1xbl h ALA 64 CO 0.14 0.67 0.07 0.00 0.00 0.00 0.00 179.25 180.14 1xbl h ALA 65 N 1.12 0.49 -0.71 0.00 0.00 -0.93 0.58 119.26 119.81 1xbl h ALA 65 Ca 0.24 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.25 1xbl h ALA 65 Cb 0.32 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 1xbl h ALA 65 CO -0.01 -0.33 0.46 -0.92 0.00 0.00 0.00 179.25 178.46 1xbl h TYR 66 N 0.20 0.90 -0.78 0.00 3.20 -0.13 0.83 116.97 121.19 1xbl h TYR 66 Ca 0.22 0.02 0.03 0.00 3.14 0.00 0.00 58.73 62.14 1xbl h TYR 66 Cb 0.30 -0.30 -0.05 0.00 1.54 0.00 0.00 36.73 38.22 1xbl h TYR 66 CO -0.23 0.58 0.49 0.22 -1.64 0.00 0.00 178.16 177.58 1xbl h ASP 67 N 0.96 0.81 0.21 -2.11 3.58 0.19 0.78 116.42 120.84 1xbl h ASP 67 Ca 0.26 -0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.70 1xbl h ASP 67 Cb -0.09 -0.18 0.00 0.00 1.72 0.00 0.00 39.33 40.78 1xbl h ASP 67 CO -0.05 0.56 -0.10 -0.61 -2.88 0.00 0.00 179.24 176.15 1xbl h GLN 68 N 0.96 -0.27 -0.33 0.28 4.15 -0.43 -3.41 115.11 116.06 1xbl h GLN 68 Ca 0.31 0.02 -0.26 0.00 0.77 0.00 0.00 58.65 59.50 1xbl h GLN 68 Cb 0.02 0.06 -0.35 0.00 0.21 0.00 0.00 27.48 27.42 1xbl h GLN 68 CO -0.12 -0.13 -0.96 2.48 -1.93 0.00 0.00 178.83 178.18 1xbl n TYR 69 N -4.96 1.07 0.28 3.99 0.18 0.24 -4.92 117.16 113.04 1xbl n TYR 69 Ca -0.04 -1.65 0.14 0.00 1.88 0.00 0.00 57.90 58.23 1xbl n TYR 69 Cb 0.14 -0.23 0.83 0.00 -0.38 0.00 0.00 39.34 39.69 1xbl n TYR 69 CO 0.00 0.00 0.00 0.78 -2.08 0.00 0.00 176.86 175.56 1xbl h GLY 70 N 1.89 0.00 -1.47 -7.48 0.00 -0.74 0.18 103.07 95.45 1xbl h GLY 70 Ca -0.04 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.20 1xbl h GLY 70 CO 0.25 0.00 -0.54 -2.39 0.00 0.00 0.00 176.54 173.86 1xbl n HIS 71 N -3.83 0.48 -1.51 5.60 1.44 -1.26 -4.64 115.22 111.49 1xbl n HIS 71 Ca -0.03 -1.62 0.00 0.00 -2.01 0.00 0.00 57.72 54.06 1xbl n HIS 71 Cb 0.14 -0.27 0.00 0.00 0.12 0.00 0.00 29.99 29.98 1xbl n HIS 71 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1xbl n ALA 72 N -1.05 0.37 0.17 1.59 0.00 0.12 -4.97 120.51 116.74 1xbl n ALA 72 Ca 0.23 -0.09 0.03 0.00 0.00 0.00 0.00 53.44 53.62 1xbl n ALA 72 Cb 0.74 0.00 0.25 0.00 0.00 0.00 0.00 19.45 20.44 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 0.00 0.92 -2.71 0.00 0.00 -1.03 -3.35 119.26 113.10 1xbl h ALA 73 Ca 0.00 -0.42 -0.60 0.00 0.00 0.00 0.00 54.91 53.89 1xbl h ALA 73 Cb 0.69 -0.07 -0.40 0.00 0.00 0.00 0.00 17.79 18.01 1xbl h ALA 73 CO 0.00 0.58 -0.81 0.12 0.00 0.00 0.00 179.25 179.14 1xbl s PHE 74 N -3.49 1.89 0.00 0.00 5.36 -1.26 -4.83 117.98 115.65 1xbl s PHE 74 Ca 0.00 -2.54 0.00 0.00 -0.96 0.00 0.00 56.93 53.43 1xbl s PHE 74 Cb 0.11 -1.59 0.00 0.00 -0.34 0.00 0.00 43.02 41.20 1xbl s PHE 74 CO 0.71 -0.75 0.70 -1.91 -1.46 0.00 0.00 175.22 172.51 1xbl n GLU 75 N 2.89 0.00 0.00 10.12 2.13 -1.26 -5.17 120.64 129.35 1xbl n GLU 75 Ca 0.21 -0.61 0.06 0.00 0.66 0.00 0.00 57.16 57.48 1xbl n GLU 75 Cb 0.41 -0.37 0.38 0.00 0.27 0.00 0.00 31.44 32.12 1xbl n GLU 75 CO 0.00 0.00 0.00 0.94 -0.41 0.00 0.00 177.13 177.66