#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 -2.44 -3.87 0.00 4.76 -1.26 -4.54 118.16 110.81 1xbl n LYS 3 Ca 0.00 1.94 -0.27 0.00 -2.87 0.00 0.00 58.31 57.11 1xbl n LYS 3 Cb 0.00 -2.87 -0.03 0.00 -1.84 0.00 0.00 35.03 30.29 1xbl n LYS 3 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 1xbl s GLN 4 N -3.61 3.46 -0.99 1.97 -1.52 -1.26 -5.01 119.66 112.70 1xbl s GLN 4 Ca 0.00 -0.51 -0.23 0.00 -1.95 0.00 0.00 55.36 52.66 1xbl s GLN 4 Cb 0.00 -2.94 0.00 0.00 -0.22 0.00 0.00 33.01 29.86 1xbl s GLN 4 CO 0.00 0.50 1.69 0.34 -0.25 0.00 0.00 175.29 177.57 1xbl s ASP 5 N -3.15 5.89 0.00 5.90 -1.08 -1.26 -4.80 116.67 118.17 1xbl s ASP 5 Ca 0.36 -1.18 0.06 0.00 -0.52 0.00 0.00 52.55 51.27 1xbl s ASP 5 Cb -0.11 -2.57 0.36 0.00 -1.46 0.00 0.00 42.92 39.15 1xbl s ASP 5 CO 0.29 -2.08 0.85 -1.22 0.52 0.00 0.00 175.17 173.53 1xbl n TYR 6 N 11.22 0.00 -0.08 -5.34 4.01 -1.26 -1.67 117.16 124.03 1xbl n TYR 6 Ca 0.37 0.00 -0.17 0.00 -0.16 0.00 0.00 57.90 57.94 1xbl n TYR 6 Cb 0.49 0.00 -0.13 0.00 -0.31 0.00 0.00 39.34 39.39 1xbl n TYR 6 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 1xbl n TYR 7 N -0.68 0.41 0.08 -0.72 4.01 -1.26 -4.48 117.16 114.52 1xbl n TYR 7 Ca 0.05 0.10 -0.14 0.00 -0.16 0.00 0.00 57.90 57.75 1xbl n TYR 7 Cb 0.02 -1.06 -0.07 0.00 -0.31 0.00 0.00 39.34 37.92 1xbl n TYR 7 CO 0.00 0.00 0.00 1.49 -0.46 0.00 0.00 176.86 177.89 1xbl h GLU 8 N 0.02 0.34 -0.58 -0.72 4.22 -1.69 0.30 114.58 116.46 1xbl h GLU 8 Ca -0.51 -0.43 0.09 0.00 0.08 0.00 0.00 59.36 58.59 1xbl h GLU 8 Cb 1.99 0.14 -0.07 0.00 0.50 0.00 0.00 28.75 31.31 1xbl h GLU 8 CO -0.01 1.13 0.19 0.82 -2.18 0.00 0.00 179.01 178.96 1xbl h ILE 9 N 0.16 0.75 0.29 2.32 2.04 -1.55 -0.96 117.51 120.56 1xbl h ILE 9 Ca -0.10 -0.12 -0.01 0.00 1.00 0.00 0.00 64.86 65.63 1xbl h ILE 9 Cb 1.71 0.36 0.00 0.00 -0.74 0.00 0.00 36.82 38.15 1xbl h ILE 9 CO 0.17 0.07 -0.14 -0.07 0.00 0.00 0.00 178.15 178.18 1xbl h LEU 10 N 0.36 -0.33 0.00 1.44 4.07 -1.78 -3.45 115.31 115.61 1xbl h LEU 10 Ca 0.30 0.01 0.00 0.00 0.08 0.00 0.00 57.88 58.27 1xbl h LEU 10 Cb 0.38 0.09 0.00 0.00 1.08 0.00 0.00 40.66 42.21 1xbl h LEU 10 CO -0.32 -0.08 0.00 0.61 -1.08 0.00 0.00 178.44 177.57 1xbl n GLY 11 N 0.29 0.50 3.30 0.83 0.00 0.09 -5.01 105.19 105.20 1xbl n GLY 11 Ca -0.05 -0.73 -0.16 0.00 0.00 0.00 0.00 46.02 45.08 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 0.00 0.00 -0.37 1.61 0.11 -1.22 -4.89 120.40 115.65 1xbl s VAL 12 Ca 0.00 -1.92 -0.27 0.00 -2.93 0.00 0.00 61.98 56.85 1xbl s VAL 12 Cb 0.00 -2.51 -0.28 0.00 -1.53 0.00 0.00 36.38 32.06 1xbl s VAL 12 CO 0.00 0.00 1.75 -0.24 -3.33 0.00 0.00 175.10 173.28 1xbl n SER 13 N -1.15 1.63 0.00 3.54 2.88 -1.26 -4.69 113.62 114.57 1xbl n SER 13 Ca 0.05 -2.57 0.00 0.00 -1.33 0.00 0.00 58.87 55.02 1xbl n SER 13 Cb 0.63 -0.82 0.00 0.00 -0.75 0.00 0.00 64.21 63.27 1xbl n SER 13 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1xbl n LYS 14 N 7.65 0.00 -2.36 -1.46 5.02 -1.26 -3.47 118.16 122.28 1xbl n LYS 14 Ca 0.48 0.00 -0.18 0.00 -2.02 0.00 0.00 58.31 56.58 1xbl n LYS 14 Cb 0.42 0.00 0.02 0.00 -0.02 0.00 0.00 35.03 35.45 1xbl n LYS 14 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1xbl n THR 15 N 0.00 2.09 -1.19 -0.18 -2.24 -1.26 -4.75 114.28 106.75 1xbl n THR 15 Ca 0.00 -4.01 -0.36 0.00 -2.27 0.00 0.00 64.05 57.41 1xbl n THR 15 Cb 0.00 -0.50 0.07 0.00 -2.10 0.00 0.00 70.33 67.80 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 -0.57 -2.13 -0.75 6.98 0.00 -1.23 -4.92 120.51 117.90 1xbl n ALA 16 Ca 0.32 -0.30 -0.32 0.00 0.00 0.00 0.00 53.44 53.14 1xbl n ALA 16 Cb 0.85 -1.74 0.14 0.00 0.00 0.00 0.00 19.45 18.70 1xbl n ALA 16 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1xbl n GLU 17 N -0.31 -0.36 0.08 0.00 2.13 -1.26 -4.57 120.64 116.35 1xbl n GLU 17 Ca 0.08 -0.05 0.20 0.00 0.66 0.00 0.00 57.16 58.05 1xbl n GLU 17 Cb 0.50 -2.06 0.75 0.00 0.27 0.00 0.00 31.44 30.90 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 -1.69 0.00 -0.80 5.31 4.81 -1.91 0.94 114.58 121.25 1xbl h GLU 18 Ca -0.43 0.00 0.15 0.00 -0.13 0.00 0.00 59.36 58.95 1xbl h GLU 18 Cb 1.28 0.00 -0.15 0.00 0.63 0.00 0.00 28.75 30.51 1xbl h GLU 18 CO 0.37 0.00 -0.23 -0.09 -0.73 0.00 0.00 179.01 178.33 1xbl h ARG 19 N 0.00 -0.02 0.03 1.92 1.12 -2.00 0.64 114.38 116.07 1xbl h ARG 19 Ca 0.20 0.00 -0.31 0.00 -1.11 0.00 0.00 59.98 58.76 1xbl h ARG 19 Cb 1.00 0.00 -0.04 0.00 -0.01 0.00 0.00 29.97 30.92 1xbl h ARG 19 CO -0.00 -0.01 -1.81 -1.91 -3.11 0.00 0.00 179.97 173.13 1xbl n GLU 20 N -5.51 0.67 -0.30 0.20 2.13 0.24 -4.01 120.64 114.06 1xbl n GLU 20 Ca 0.11 0.28 0.05 0.00 0.66 0.00 0.00 57.16 58.26 1xbl n GLU 20 Cb 0.40 -1.76 0.20 0.00 0.27 0.00 0.00 31.44 30.55 1xbl n GLU 20 CO 0.00 0.00 0.00 0.82 -0.41 0.00 0.00 177.13 177.54 1xbl h ILE 21 N 0.02 0.83 -0.86 6.31 1.08 -0.62 0.30 117.51 124.58 1xbl h ILE 21 Ca -0.33 -0.25 0.12 0.00 -0.39 0.00 0.00 64.86 64.00 1xbl h ILE 21 Cb 2.03 0.03 -0.06 0.00 -3.07 0.00 0.00 36.82 35.75 1xbl h ILE 21 CO 0.08 0.13 0.56 -0.09 -0.69 0.00 0.00 178.15 178.14 1xbl h ARG 22 N 0.73 0.73 -0.10 2.37 9.65 -1.03 0.24 114.38 126.98 1xbl h ARG 22 Ca 0.43 -0.04 -0.04 0.00 -1.10 0.00 0.00 59.98 59.23 1xbl h ARG 22 Cb 0.50 -0.16 -0.00 0.00 -1.39 0.00 0.00 29.97 28.91 1xbl h ARG 22 CO -0.30 0.48 -0.10 0.87 2.80 0.00 0.00 179.97 183.73 1xbl h LYS 23 N 0.75 0.24 0.12 0.20 1.79 -0.63 0.62 116.57 119.66 1xbl h LYS 23 Ca 0.41 -0.13 0.02 0.00 -2.18 0.00 0.00 60.65 58.77 1xbl h LYS 23 Cb 0.55 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 31.17 1xbl h LYS 23 CO -0.18 0.66 -0.28 0.00 -1.08 0.00 0.00 179.45 178.57 1xbl h ALA 24 N 0.58 -0.48 -0.73 3.86 0.00 -0.36 -2.20 119.26 119.92 1xbl h ALA 24 Ca 0.02 -0.04 0.11 0.00 0.00 0.00 0.00 54.91 55.00 1xbl h ALA 24 Cb 0.62 0.46 -0.08 0.00 0.00 0.00 0.00 17.79 18.79 1xbl h ALA 24 CO 0.02 -0.82 0.34 -0.92 0.00 0.00 0.00 179.25 177.87 1xbl h TYR 25 N -0.50 0.60 0.13 0.00 3.20 -0.51 0.11 116.97 120.01 1xbl h TYR 25 Ca 0.03 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.93 1xbl h TYR 25 Cb 0.53 -0.16 0.00 0.00 1.54 0.00 0.00 36.73 38.64 1xbl h TYR 25 CO -0.26 0.17 -0.06 -0.22 -1.64 0.00 0.00 178.16 176.15 1xbl h LYS 26 N 0.55 -0.17 -0.17 1.82 3.64 -0.58 0.20 116.57 121.87 1xbl h LYS 26 Ca 0.38 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.77 1xbl h LYS 26 Cb 0.47 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.32 1xbl h LYS 26 CO -0.32 -0.03 0.10 0.07 -2.27 0.00 0.00 179.45 177.00 1xbl h ARG 27 N -0.26 0.21 -0.27 1.90 0.11 -0.73 -2.92 114.38 112.41 1xbl h ARG 27 Ca -0.02 -0.01 -0.16 0.00 0.10 0.00 0.00 59.98 59.89 1xbl h ARG 27 Cb 0.21 -0.05 -0.00 0.00 1.11 0.00 0.00 29.97 31.24 1xbl h ARG 27 CO 0.03 0.14 -0.47 -0.07 0.10 0.00 0.00 179.97 179.69 1xbl h LEU 28 N 0.21 0.89 -0.32 0.08 3.38 -0.90 -1.26 115.31 117.39 1xbl h LEU 28 Ca 0.06 -0.53 0.06 0.00 0.09 0.00 0.00 57.88 57.57 1xbl h LEU 28 Cb -0.02 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 40.43 1xbl h LEU 28 CO -0.02 1.24 -0.03 0.00 0.09 0.00 0.00 178.44 179.72 1xbl h ALA 29 N 0.67 0.26 -0.49 1.53 0.00 -0.62 0.14 119.26 120.74 1xbl h ALA 29 Ca 0.02 0.10 -0.09 0.00 0.00 0.00 0.00 54.91 54.94 1xbl h ALA 29 Cb 1.08 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 19.04 1xbl h ALA 29 CO 0.11 -0.43 -0.05 0.00 0.00 0.00 0.00 179.25 178.87 1xbl h MET 30 N 0.05 0.91 -0.36 0.00 -0.00 -1.34 -1.80 114.93 112.39 1xbl h MET 30 Ca 0.15 -0.32 0.03 0.00 -0.00 0.00 0.00 59.70 59.57 1xbl h MET 30 Cb 0.22 -0.07 -0.03 0.00 -0.00 0.00 0.00 31.60 31.72 1xbl h MET 30 CO -0.29 0.96 0.16 -0.22 -0.00 0.00 0.00 176.91 177.53 1xbl h LYS 31 N 0.76 0.33 -0.64 -0.10 3.11 -0.55 -2.75 116.57 116.73 1xbl h LYS 31 Ca 0.13 -0.02 0.00 0.00 -2.81 0.00 0.00 60.65 57.95 1xbl h LYS 31 Cb 0.59 -0.07 0.00 0.00 -1.00 0.00 0.00 32.23 31.75 1xbl h LYS 31 CO 0.04 0.22 0.00 0.66 -2.81 0.00 0.00 179.45 177.55 1xbl n TYR 32 N -4.96 1.40 -2.34 1.91 4.01 0.42 -4.91 117.16 112.69 1xbl n TYR 32 Ca 0.01 -0.53 -0.41 0.00 -0.16 0.00 0.00 57.90 56.81 1xbl n TYR 32 Cb 0.10 -0.29 -0.03 0.00 -0.31 0.00 0.00 39.34 38.81 1xbl n TYR 32 CO 0.00 0.00 0.00 -1.01 -0.46 0.00 0.00 176.86 175.39 1xbl s HIS 33 N -2.01 3.38 0.09 -0.72 3.76 -0.68 -4.34 115.29 114.76 1xbl s HIS 33 Ca 0.43 1.47 -0.28 0.00 -0.15 0.00 0.00 55.06 56.53 1xbl s HIS 33 Cb 0.30 -3.46 -0.15 0.00 1.11 0.00 0.00 32.58 30.38 1xbl s HIS 33 CO 0.18 -1.23 1.67 -1.00 -0.85 0.00 0.00 174.74 173.50 1xbl h PRO 34 N 4.56 -0.49 -5.60 8.40 0.13 -1.89 -3.47 132.00 133.66 1xbl h PRO 34 Ca -0.46 0.03 -0.31 0.00 -0.87 0.00 0.00 66.00 64.39 1xbl h PRO 34 Cb 1.22 0.11 0.02 0.00 0.13 0.00 0.00 31.00 32.47 1xbl h PRO 34 CO 0.71 -0.32 -0.97 -3.47 -0.23 0.00 0.00 178.00 173.72 1xbl n ASP 35 N -5.33 -4.28 0.00 1.44 2.03 -1.26 -0.78 116.55 108.37 1xbl n ASP 35 Ca -0.10 -0.13 0.00 0.00 0.52 0.00 0.00 54.79 55.08 1xbl n ASP 35 Cb 0.24 -1.25 0.00 0.00 -0.72 0.00 0.00 41.12 39.39 1xbl n ASP 35 CO 0.00 0.00 0.00 -2.11 -1.92 0.00 0.00 177.20 173.17 1xbl n ARG 36 N -0.14 0.00 -1.26 -0.67 1.85 -1.26 -4.83 116.66 110.34 1xbl n ARG 36 Ca -0.07 0.00 -0.34 0.00 -1.00 0.00 0.00 57.85 56.44 1xbl n ARG 36 Cb 0.54 -4.08 -0.06 0.00 -1.05 0.00 0.00 32.46 27.82 1xbl n ARG 36 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 1xbl n ASN 37 N 0.00 8.07 -4.62 2.89 3.02 0.04 -4.89 115.26 119.77 1xbl n ASN 37 Ca 0.00 -2.57 -0.27 0.00 -0.03 0.00 0.00 54.58 51.71 1xbl n ASN 37 Cb 0.00 -1.53 0.12 0.00 -0.61 0.00 0.00 39.78 37.76 1xbl n ASN 37 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 1xbl s GLN 38 N 1.86 1.57 0.00 3.52 2.00 -1.26 -4.27 119.66 123.08 1xbl s GLN 38 Ca 0.69 -0.38 0.00 0.00 -2.00 0.00 0.00 55.36 53.67 1xbl s GLN 38 Cb 0.21 -2.05 0.00 0.00 0.80 0.00 0.00 33.01 31.96 1xbl s GLN 38 CO -0.05 -1.71 0.00 0.41 -0.50 0.00 0.00 175.29 173.44 1xbl n GLY 39 N -3.25 1.65 0.41 2.59 0.00 -1.26 -4.59 105.19 100.73 1xbl n GLY 39 Ca 0.11 -0.13 -0.14 0.00 0.00 0.00 0.00 46.02 45.86 1xbl n GLY 39 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1xbl h ASP 40 N 0.00 -1.20 0.00 1.61 3.58 -1.98 -3.45 116.42 114.98 1xbl h ASP 40 Ca 0.00 0.11 0.00 0.00 0.42 0.00 0.00 57.03 57.56 1xbl h ASP 40 Cb 0.00 0.41 0.00 0.00 1.72 0.00 0.00 39.33 41.46 1xbl h ASP 40 CO 0.00 -0.52 0.00 1.17 -2.88 0.00 0.00 179.24 177.01 1xbl n LYS 41 N -4.93 0.00 -0.04 0.28 4.81 -1.26 -4.65 118.16 112.37 1xbl n LYS 41 Ca -0.09 0.00 -0.09 0.00 -0.87 0.00 0.00 58.31 57.26 1xbl n LYS 41 Cb 0.36 0.00 0.07 0.00 0.02 0.00 0.00 35.03 35.48 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 0.66 -0.63 1.64 -0.00 -1.93 -2.34 114.58 111.99 1xbl h GLU 42 Ca 0.00 -0.34 0.06 0.00 -0.00 0.00 0.00 59.36 59.08 1xbl h GLU 42 Cb 0.00 0.01 -0.06 0.00 -0.00 0.00 0.00 28.75 28.70 1xbl h GLU 42 CO 0.00 0.95 0.33 0.00 -0.00 0.00 0.00 179.01 180.29 1xbl h ALA 43 N 1.00 0.84 -0.45 1.06 0.00 -1.92 0.47 119.26 120.27 1xbl h ALA 43 Ca 0.04 0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.01 1xbl h ALA 43 Cb 0.94 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.61 1xbl h ALA 43 CO 0.08 -0.02 0.24 1.49 0.00 0.00 0.00 179.25 181.05 1xbl h GLU 44 N 0.60 0.47 -0.59 0.00 4.81 -1.71 -1.64 114.58 116.52 1xbl h GLU 44 Ca 0.29 -0.03 0.13 0.00 -0.13 0.00 0.00 59.36 59.62 1xbl h GLU 44 Cb 0.22 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.46 1xbl h GLU 44 CO -0.20 0.31 0.40 0.00 -0.73 0.00 0.00 179.01 178.80 1xbl h ALA 45 N 1.22 2.20 -0.19 2.92 0.00 -0.33 0.24 119.26 125.33 1xbl h ALA 45 Ca 0.19 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 1xbl h ALA 45 Cb 0.06 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1xbl h ALA 45 CO -0.11 -0.35 0.00 -0.22 0.00 0.00 0.00 179.25 178.57 1xbl h LYS 46 N 0.26 0.33 -0.69 0.00 3.64 0.61 0.37 116.57 121.09 1xbl h LYS 46 Ca 0.28 -0.10 0.08 0.00 -1.27 0.00 0.00 60.65 59.63 1xbl h LYS 46 Cb 0.75 -0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 32.50 1xbl h LYS 46 CO -0.06 0.53 0.46 0.35 -2.27 0.00 0.00 179.45 178.46 1xbl h PHE 47 N 0.08 0.67 -0.40 1.91 3.57 -0.08 -0.42 116.94 122.27 1xbl h PHE 47 Ca 0.05 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.54 1xbl h PHE 47 Cb 0.38 -0.22 -0.02 0.00 2.79 0.00 0.00 35.95 38.89 1xbl h PHE 47 CO 0.03 0.34 0.14 0.87 -2.23 0.00 0.00 178.31 177.47 1xbl h LYS 48 N 0.65 0.61 -0.57 1.11 1.57 0.29 0.20 116.57 120.42 1xbl h LYS 48 Ca 0.31 -0.12 0.03 0.00 -1.87 0.00 0.00 60.65 59.00 1xbl h LYS 48 Cb 0.36 -0.09 -0.04 0.00 0.08 0.00 0.00 32.23 32.54 1xbl h LYS 48 CO -0.10 0.59 0.34 0.93 -0.57 0.00 0.00 179.45 180.64 1xbl h GLU 49 N 0.50 0.65 -0.31 3.15 4.39 -0.28 0.24 114.58 122.92 1xbl h GLU 49 Ca 0.13 -0.04 -0.13 0.00 0.34 0.00 0.00 59.36 59.66 1xbl h GLU 49 Cb 0.22 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 28.71 1xbl h GLU 49 CO -0.01 0.43 -0.33 0.82 -1.16 0.00 0.00 179.01 178.76 1xbl h ILE 50 N 0.67 1.28 -0.05 3.13 2.04 -0.79 0.25 117.51 124.04 1xbl h ILE 50 Ca 0.23 -1.47 0.01 0.00 1.00 0.00 0.00 64.86 64.63 1xbl h ILE 50 Cb 0.04 1.40 -0.01 0.00 -0.74 0.00 0.00 36.82 37.51 1xbl h ILE 50 CO -0.11 0.48 -0.00 0.50 0.00 0.00 0.00 178.15 179.02 1xbl h LYS 51 N 0.58 0.01 -0.42 2.37 1.63 -0.76 -1.75 116.57 118.23 1xbl h LYS 51 Ca 0.06 -0.00 0.07 0.00 -0.85 0.00 0.00 60.65 59.93 1xbl h LYS 51 Cb 0.84 -0.00 -0.06 0.00 -0.60 0.00 0.00 32.23 32.41 1xbl h LYS 51 CO 0.07 0.01 0.06 1.49 -3.45 0.00 0.00 179.45 177.63 1xbl h GLU 52 N 0.01 0.17 0.26 1.90 4.57 0.44 0.50 114.58 122.43 1xbl h GLU 52 Ca 0.02 -0.01 0.01 0.00 -1.18 0.00 0.00 59.36 58.20 1xbl h GLU 52 Cb 0.03 -0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 28.55 1xbl h GLU 52 CO -0.04 0.11 -0.42 0.00 -1.18 0.00 0.00 179.01 177.48 1xbl h ALA 53 N 1.33 -0.83 -0.77 2.92 0.00 -0.49 0.22 119.26 121.65 1xbl h ALA 53 Ca 0.20 -0.11 0.11 0.00 0.00 0.00 0.00 54.91 55.12 1xbl h ALA 53 Cb 0.27 0.66 -0.08 0.00 0.00 0.00 0.00 17.79 18.63 1xbl h ALA 53 CO -0.29 -1.02 0.38 -0.92 0.00 0.00 0.00 179.25 177.40 1xbl h TYR 54 N -0.74 0.67 -0.35 0.00 3.20 -0.59 -0.43 116.97 118.73 1xbl h TYR 54 Ca -0.01 0.03 -0.17 0.00 3.14 0.00 0.00 58.73 61.73 1xbl h TYR 54 Cb 0.71 -0.19 -0.00 0.00 1.54 0.00 0.00 36.73 38.79 1xbl h TYR 54 CO -0.30 0.21 -0.44 1.49 -1.64 0.00 0.00 178.16 177.48 1xbl h GLU 55 N 0.61 0.91 -0.70 1.82 4.81 -0.16 -2.22 114.58 119.63 1xbl h GLU 55 Ca 0.39 -0.51 -0.05 0.00 -0.13 0.00 0.00 59.36 59.06 1xbl h GLU 55 Cb 0.48 0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.86 1xbl h GLU 55 CO -0.31 1.16 0.26 0.28 -0.73 0.00 0.00 179.01 179.67 1xbl h VAL 56 N 0.71 1.25 0.00 0.32 2.07 -0.04 -1.89 116.25 118.67 1xbl h VAL 56 Ca 0.04 -0.82 0.00 0.00 0.82 0.00 0.00 66.70 66.75 1xbl h VAL 56 Cb 1.04 0.46 0.00 0.00 -1.52 0.00 0.00 31.29 31.27 1xbl h VAL 56 CO 0.10 0.32 0.00 0.18 0.02 0.00 0.00 177.57 178.20 1xbl n LEU 57 N -4.34 0.00 0.00 2.57 4.77 -0.22 -0.61 117.00 119.16 1xbl n LEU 57 Ca 0.05 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.03 1xbl n LEU 57 Cb 0.19 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.28 1xbl n LEU 57 CO 0.40 0.00 0.26 0.35 -1.33 0.00 0.00 177.39 177.07 1xbl n THR 58 N -0.63 0.18 -1.74 -5.08 -2.24 -0.75 -4.87 114.28 99.15 1xbl n THR 58 Ca 0.03 -0.50 -0.12 0.00 -2.27 0.00 0.00 64.05 61.19 1xbl n THR 58 Cb 0.01 1.05 0.08 0.00 -2.10 0.00 0.00 70.33 69.37 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 -0.09 0.23 0.00 3.42 -0.08 0.21 -5.09 116.55 115.16 1xbl n ASP 59 Ca 0.00 -1.31 0.00 0.00 -1.51 0.00 0.00 54.79 51.97 1xbl n ASP 59 Cb 0.10 -0.39 0.00 0.00 2.34 0.00 0.00 41.12 43.17 1xbl n ASP 59 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08 1xbl n SER 60 N -3.24 0.00 -0.06 1.67 2.88 -1.26 -4.60 113.62 109.01 1xbl n SER 60 Ca 0.07 0.01 -0.10 0.00 -1.33 0.00 0.00 58.87 57.52 1xbl n SER 60 Cb 0.26 -0.23 -0.09 0.00 -0.75 0.00 0.00 64.21 63.40 1xbl n SER 60 CO 0.00 0.00 0.00 -0.61 -1.23 0.00 0.00 175.04 173.20 1xbl h GLN 61 N 0.00 -0.01 -1.14 -1.46 4.15 -1.98 -3.04 115.11 111.63 1xbl h GLN 61 Ca 0.00 0.00 0.33 0.00 0.77 0.00 0.00 58.65 59.75 1xbl h GLN 61 Cb 0.00 0.00 -0.11 0.00 0.21 0.00 0.00 27.48 27.58 1xbl h GLN 61 CO 0.00 0.70 0.73 0.87 -1.93 0.00 0.00 178.83 179.21 1xbl h LYS 62 N -0.98 0.26 0.00 1.69 1.57 -1.91 0.13 116.57 117.33 1xbl h LYS 62 Ca -0.00 -0.02 -0.11 0.00 -1.87 0.00 0.00 60.65 58.65 1xbl h LYS 62 Cb 0.72 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.95 1xbl h LYS 62 CO 0.00 0.17 -0.55 -0.09 -0.57 0.00 0.00 179.45 178.42 1xbl h ARG 63 N 0.27 0.00 0.00 3.15 1.12 -1.71 -3.32 114.38 113.89 1xbl h ARG 63 Ca 0.68 0.00 -0.31 0.00 -1.11 0.00 0.00 59.98 59.24 1xbl h ARG 63 Cb 1.92 0.00 -0.05 0.00 -0.01 0.00 0.00 29.97 31.83 1xbl h ARG 63 CO -0.35 0.55 -2.09 0.00 -3.11 0.00 0.00 179.97 174.97 1xbl n ALA 64 N -2.33 1.65 -0.13 2.80 0.00 -0.51 -4.23 120.51 117.75 1xbl n ALA 64 Ca -0.00 -0.80 -0.04 0.00 0.00 0.00 0.00 53.44 52.60 1xbl n ALA 64 Cb 0.63 0.16 0.04 0.00 0.00 0.00 0.00 19.45 20.28 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 -0.37 0.48 -0.19 0.00 0.00 -1.17 0.20 119.26 118.20 1xbl h ALA 65 Ca -0.46 0.08 0.05 0.00 0.00 0.00 0.00 54.91 54.58 1xbl h ALA 65 Cb 1.54 0.10 -0.05 0.00 0.00 0.00 0.00 17.79 19.38 1xbl h ALA 65 CO -0.19 -0.30 -0.12 -0.92 0.00 0.00 0.00 179.25 177.71 1xbl h TYR 66 N 0.23 -0.30 -0.73 0.00 3.20 -1.48 0.17 116.97 118.06 1xbl h TYR 66 Ca 0.21 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 62.10 1xbl h TYR 66 Cb 0.25 0.16 -0.04 0.00 1.54 0.00 0.00 36.73 38.65 1xbl h TYR 66 CO -0.20 -0.19 0.44 0.22 -1.64 0.00 0.00 178.16 176.80 1xbl h ASP 67 N -0.12 0.87 0.00 -2.11 3.58 -1.27 -2.27 116.42 115.11 1xbl h ASP 67 Ca 0.11 -0.06 0.00 0.00 0.42 0.00 0.00 57.03 57.50 1xbl h ASP 67 Cb 0.28 -0.22 0.00 0.00 1.72 0.00 0.00 39.33 41.11 1xbl h ASP 67 CO -0.27 0.68 0.00 1.67 -2.88 0.00 0.00 179.24 178.44 1xbl n GLN 68 N -4.52 0.00 -2.75 0.28 7.27 -0.11 -4.89 117.38 112.65 1xbl n GLN 68 Ca 0.07 0.38 -0.06 0.00 0.07 0.00 0.00 57.00 57.46 1xbl n GLN 68 Cb 0.05 -1.16 0.03 0.00 2.41 0.00 0.00 30.24 31.58 1xbl n GLN 68 CO 0.00 0.00 0.00 0.66 0.07 0.00 0.00 177.06 177.79 1xbl n TYR 69 N -1.64 -3.43 0.00 3.69 4.01 0.50 -5.08 117.16 115.21 1xbl n TYR 69 Ca 0.00 -1.49 0.00 0.00 -0.16 0.00 0.00 57.90 56.25 1xbl n TYR 69 Cb 0.00 1.50 0.00 0.00 -0.31 0.00 0.00 39.34 40.53 1xbl n TYR 69 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1xbl n GLY 70 N 2.31 0.45 2.31 2.72 0.00 -0.61 -0.34 105.19 112.04 1xbl n GLY 70 Ca 0.13 0.69 -0.16 0.00 0.00 0.00 0.00 46.02 46.68 1xbl n GLY 70 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1xbl n HIS 71 N 0.00 -0.17 -3.08 1.61 1.44 -1.26 -1.92 115.22 111.84 1xbl n HIS 71 Ca 0.00 -3.47 -0.19 0.00 -2.01 0.00 0.00 57.72 52.05 1xbl n HIS 71 Cb 0.00 -0.11 -0.03 0.00 0.12 0.00 0.00 29.99 29.97 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 0.24 1.46 0.16 1.59 0.00 0.53 -4.92 120.51 119.57 1xbl n ALA 72 Ca 0.21 -2.92 0.00 0.00 0.00 0.00 0.00 53.44 50.72 1xbl n ALA 72 Cb 0.68 -0.95 0.00 0.00 0.00 0.00 0.00 19.45 19.18 1xbl n ALA 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xbl n ALA 73 N 1.16 1.21 -3.18 0.00 0.00 -1.26 -4.64 120.51 113.81 1xbl n ALA 73 Ca 0.19 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.42 1xbl n ALA 73 Cb 0.58 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.99 1xbl n ALA 73 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1xbl n PHE 74 N -3.26 0.47 -0.69 0.00 3.72 -1.26 -4.84 117.46 111.60 1xbl n PHE 74 Ca 0.00 -3.78 0.08 0.00 -0.05 0.00 0.00 57.45 53.70 1xbl n PHE 74 Cb 0.00 -0.41 0.28 0.00 -0.94 0.00 0.00 39.48 38.41 1xbl n PHE 74 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 1xbl n GLU 75 N 0.54 3.39 0.00 -1.08 4.71 -1.26 -4.95 120.64 121.99 1xbl n GLU 75 Ca 0.25 -2.72 0.09 0.00 -0.01 0.00 0.00 57.16 54.77 1xbl n GLU 75 Cb 0.60 -1.78 0.08 0.00 -1.01 0.00 0.00 31.44 29.32 1xbl n GLU 75 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22