#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qry n SER 2 N 0.00 7.09 -0.04 1.61 2.88 -1.26 -4.68 113.62 119.23 1qry n SER 2 Ca 0.00 -3.33 0.00 0.00 -1.33 0.00 0.00 58.87 54.21 1qry n SER 2 Cb 0.00 -1.23 0.00 0.00 -0.75 0.00 0.00 64.21 62.23 1qry n SER 2 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 1qry n HIS 3 N 0.79 0.00 -1.71 0.66 8.25 -1.26 -4.76 115.22 117.19 1qry n HIS 3 Ca 0.53 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.56 1qry n HIS 3 Cb 0.41 -0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.51 1qry n HIS 3 CO 0.00 0.00 0.00 -1.33 0.64 0.00 0.00 176.34 175.65 1qry n MET 4 N -0.43 2.21 -3.93 -0.41 2.00 -1.26 -4.99 117.12 110.31 1qry n MET 4 Ca 0.00 0.78 -0.09 0.00 0.00 0.00 0.00 57.70 58.39 1qry n MET 4 Cb 0.00 -2.39 -0.08 0.00 0.00 0.00 0.00 33.22 30.75 1qry n MET 4 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 175.97 174.43 1qry s SER 5 N -0.20 0.23 0.00 7.83 1.04 -1.26 -5.16 113.70 116.17 1qry s SER 5 Ca 0.57 -0.70 0.00 0.00 0.48 0.00 0.00 55.95 56.29 1qry s SER 5 Cb -0.56 0.28 0.00 0.00 0.10 0.00 0.00 66.02 65.83 1qry s SER 5 CO 0.61 -0.64 0.00 0.47 0.98 0.00 0.00 173.24 174.66 1qry n ASP 6 N 0.21 0.00 0.00 7.02 9.92 -1.26 -5.09 116.55 127.35 1qry n ASP 6 Ca -0.16 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.10 1qry n ASP 6 Cb 0.61 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.09 1qry n ASP 6 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1qry n GLY 7 N -0.04 -1.93 3.09 0.44 0.00 -1.26 -4.64 105.19 100.84 1qry n GLY 7 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 1qry n GLY 7 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1qry s LEU 8 N 0.00 5.12 -0.04 0.99 2.01 -1.26 -4.95 118.68 120.54 1qry s LEU 8 Ca 0.00 -2.46 -0.17 0.00 0.01 0.00 0.00 54.13 51.52 1qry s LEU 8 Cb 0.00 -1.80 -0.10 0.00 0.01 0.00 0.00 46.19 44.29 1qry s LEU 8 CO 0.00 -0.43 0.69 -0.65 1.01 0.00 0.00 176.35 176.97 1qry h PRO 9 N 7.47 -0.42 0.00 1.29 0.11 -1.99 -3.43 132.00 135.03 1qry h PRO 9 Ca -0.07 0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.06 1qry h PRO 9 Cb 0.99 0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1qry h PRO 9 CO 0.69 -0.18 -0.27 0.09 -0.21 0.00 0.00 178.00 178.12 1qry n ASN 10 N -5.07 0.00 0.27 -2.05 3.02 -1.26 -4.87 115.26 105.30 1qry n ASN 10 Ca -0.07 -1.55 0.01 0.00 -0.03 0.00 0.00 54.58 52.94 1qry n ASN 10 Cb 0.22 -0.11 0.05 0.00 -0.61 0.00 0.00 39.78 39.33 1qry n ASN 10 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 1qry h LYS 11 N 0.00 0.00 -6.27 3.52 1.63 -1.95 -3.37 116.57 110.14 1qry h LYS 11 Ca 0.00 0.00 -0.56 0.00 -0.85 0.00 0.00 60.65 59.24 1qry h LYS 11 Cb 1.22 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 32.82 1qry h LYS 11 CO 0.00 0.00 0.71 0.15 -3.45 0.00 0.00 179.45 176.86 1qry s LYS 12 N -3.65 4.34 -0.44 1.90 1.02 -1.26 -4.96 119.74 116.69 1qry s LYS 12 Ca -0.00 1.60 0.05 0.00 0.02 0.00 0.00 55.97 57.64 1qry s LYS 12 Cb 0.00 -3.59 0.18 0.00 -0.52 0.00 0.00 37.83 33.91 1qry s LYS 12 CO 0.02 -0.47 0.46 -2.13 -0.92 0.00 0.00 175.35 172.31 1qry n ARG 13 N 5.42 0.32 -0.01 1.68 0.00 -1.26 -5.01 116.66 117.79 1qry n ARG 13 Ca 0.11 -2.86 -0.01 0.00 -0.00 0.00 0.00 57.85 55.09 1qry n ARG 13 Cb 0.46 -1.59 -0.00 0.00 0.00 0.00 0.00 32.46 31.33 1qry n ARG 13 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.63 177.99 1qry n LYS 14 N 2.75 0.09 -0.89 -0.14 2.85 -1.26 -4.78 118.16 116.78 1qry n LYS 14 Ca 0.26 0.25 -0.12 0.00 -1.05 0.00 0.00 58.31 57.65 1qry n LYS 14 Cb 0.51 -0.88 -0.13 0.00 -0.65 0.00 0.00 35.03 33.88 1qry n LYS 14 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 1qry n ARG 15 N -2.74 0.00 -0.36 -1.58 1.74 -1.26 -4.81 116.66 107.65 1qry n ARG 15 Ca -0.02 0.00 -0.24 0.00 -0.77 0.00 0.00 57.85 56.83 1qry n ARG 15 Cb 0.06 -0.61 0.22 0.00 -1.02 0.00 0.00 32.46 31.11 1qry n ARG 15 CO 0.00 0.00 0.00 2.89 -1.52 0.00 0.00 177.63 179.00 1qry n ARG 16 N 3.31 -3.81 -2.01 5.56 1.85 -1.26 -4.99 116.66 115.31 1qry n ARG 16 Ca 0.38 -1.20 -0.29 0.00 -1.00 0.00 0.00 57.85 55.74 1qry n ARG 16 Cb 0.10 -1.42 0.04 0.00 -1.05 0.00 0.00 32.46 30.13 1qry n ARG 16 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 1qry s VAL 17 N -2.06 3.56 0.00 8.89 0.11 -1.26 -4.93 120.40 124.71 1qry s VAL 17 Ca 0.53 0.37 0.00 0.00 -2.93 0.00 0.00 61.98 59.95 1qry s VAL 17 Cb -0.08 -3.48 0.00 0.00 -1.53 0.00 0.00 36.38 31.29 1qry s VAL 17 CO 0.43 -0.60 0.00 0.00 -3.33 0.00 0.00 175.10 171.60 1qry n LEU 18 N -2.90 0.00 -4.75 2.54 -0.00 -1.26 -5.14 117.00 105.49 1qry n LEU 18 Ca 0.06 0.00 -0.36 0.00 -0.00 0.00 0.00 56.01 55.71 1qry n LEU 18 Cb 0.57 0.00 0.04 0.00 -0.00 0.00 0.00 43.42 44.03 1qry n LEU 18 CO 0.56 0.00 0.87 -0.36 -0.00 0.00 0.00 177.39 178.46 1qry s PHE 19 N 0.00 2.35 0.08 1.47 0.08 -1.26 -4.90 117.98 115.80 1qry s PHE 19 Ca 0.00 1.50 -0.31 0.00 0.12 0.00 0.00 56.93 58.24 1qry s PHE 19 Cb 0.00 -3.55 -0.09 0.00 -0.57 0.00 0.00 43.02 38.81 1qry s PHE 19 CO 0.00 -2.37 1.83 0.95 -0.10 0.00 0.00 175.22 175.52 1qry s THR 20 N -1.52 2.79 0.51 0.64 -4.23 -1.26 -4.72 115.64 107.85 1qry s THR 20 Ca 0.77 0.15 0.05 0.00 -1.18 0.00 0.00 61.69 61.47 1qry s THR 20 Cb -0.33 -3.09 0.05 0.00 1.34 0.00 0.00 72.50 70.47 1qry s THR 20 CO 0.36 -0.00 1.06 0.07 -0.54 0.00 0.00 174.62 175.56 1qry h LYS 21 N 9.10 0.00 0.31 3.99 -0.00 -1.98 0.74 116.57 128.74 1qry h LYS 21 Ca -0.46 0.00 -0.02 0.00 -0.00 0.00 0.00 60.65 60.17 1qry h LYS 21 Cb 1.22 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.45 1qry h LYS 21 CO 0.94 0.00 -0.15 0.00 -0.00 0.00 0.00 179.45 180.24 1qry h ALA 22 N 0.25 -0.51 -3.00 0.07 0.00 -1.98 -1.69 119.26 112.41 1qry h ALA 22 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1qry h ALA 22 Cb 1.58 0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.54 1qry h ALA 22 CO 0.00 -0.47 0.00 1.04 0.00 0.00 0.00 179.25 179.82 1qry n GLN 23 N -4.47 0.00 -0.31 0.00 6.02 0.26 -0.04 117.38 118.84 1qry n GLN 23 Ca -0.05 0.20 0.24 0.00 -0.01 0.00 0.00 57.00 57.38 1qry n GLN 23 Cb 0.17 -0.88 0.38 0.00 1.02 0.00 0.00 30.24 30.92 1qry n GLN 23 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 1qry n THR 24 N -0.58 -0.04 0.04 5.09 -1.04 -1.08 0.13 114.28 116.81 1qry n THR 24 Ca 0.00 0.77 -0.02 0.00 -2.04 0.00 0.00 64.05 62.76 1qry n THR 24 Cb 0.00 -1.28 -0.01 0.00 -1.82 0.00 0.00 70.33 67.22 1qry n THR 24 CO 0.00 0.00 0.00 0.22 -0.64 0.00 0.00 175.07 174.65 1qry h TYR 25 N 0.00 -0.14 0.00 -1.42 3.20 0.27 0.19 116.97 119.07 1qry h TYR 25 Ca 0.45 -0.00 0.03 0.00 3.14 0.00 0.00 58.73 62.35 1qry h TYR 25 Cb 1.68 0.05 -0.05 0.00 1.54 0.00 0.00 36.73 39.95 1qry h TYR 25 CO -0.00 -0.09 -0.30 0.93 -1.64 0.00 0.00 178.16 177.07 1qry h GLU 26 N -0.45 -0.43 -1.17 1.82 4.39 0.43 2.15 114.58 121.31 1qry h GLU 26 Ca -0.02 0.03 0.34 0.00 0.34 0.00 0.00 59.36 60.05 1qry h GLU 26 Cb 0.11 0.10 -0.05 0.00 -0.10 0.00 0.00 28.75 28.82 1qry h GLU 26 CO 0.03 -0.29 0.85 1.25 -1.16 0.00 0.00 179.01 179.69 1qry h LEU 27 N -0.45 0.00 0.00 1.33 5.85 0.97 0.25 115.31 123.27 1qry h LEU 27 Ca 0.06 0.00 -0.12 0.00 0.84 0.00 0.00 57.88 58.66 1qry h LEU 27 Cb 0.53 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.54 1qry h LEU 27 CO -0.25 0.00 -0.68 -0.33 -0.34 0.00 0.00 178.44 176.85 1qry h GLU 28 N 0.00 0.00 -0.98 1.25 4.39 0.36 -3.31 114.58 116.28 1qry h GLU 28 Ca 0.56 0.00 0.34 0.00 0.34 0.00 0.00 59.36 60.60 1qry h GLU 28 Cb 2.25 0.00 -0.16 0.00 -0.10 0.00 0.00 28.75 30.74 1qry h GLU 28 CO -0.01 0.99 0.46 0.00 -1.16 0.00 0.00 179.01 179.29 1qry h ARG 29 N -1.00 0.16 -0.39 2.33 3.08 0.63 1.07 114.38 120.25 1qry h ARG 29 Ca -0.19 -0.01 0.08 0.00 0.07 0.00 0.00 59.98 59.94 1qry h ARG 29 Cb 1.16 -0.04 -0.09 0.00 0.08 0.00 0.00 29.97 31.08 1qry h ARG 29 CO -0.11 0.10 -0.23 -0.09 -1.07 0.00 0.00 179.97 178.57 1qry h ARG 30 N 0.16 -0.16 -1.12 0.04 1.12 -0.87 0.28 114.38 113.83 1qry h ARG 30 Ca 0.74 0.01 0.42 0.00 -1.11 0.00 0.00 59.98 60.04 1qry h ARG 30 Cb 1.76 0.04 -0.16 0.00 -0.01 0.00 0.00 29.97 31.59 1qry h ARG 30 CO -0.71 -0.11 0.65 0.35 -3.11 0.00 0.00 179.97 177.05 1qry h PHE 31 N -0.17 0.74 0.54 2.20 3.04 0.11 1.12 116.94 124.52 1qry h PHE 31 Ca 0.19 0.03 -0.03 0.00 3.98 0.00 0.00 57.97 62.15 1qry h PHE 31 Cb 0.46 -0.17 0.01 0.00 2.56 0.00 0.00 35.95 38.81 1qry h PHE 31 CO -0.46 -0.38 -0.26 0.00 -2.02 0.00 0.00 178.31 175.19 1qry h ARG 32 N 0.05 -0.70 -0.09 1.11 -0.00 -0.43 -3.11 114.38 111.21 1qry h ARG 32 Ca 0.84 0.05 0.03 0.00 -0.50 0.00 0.00 59.98 60.40 1qry h ARG 32 Cb 2.35 0.16 -0.03 0.00 0.00 0.00 0.00 29.97 32.45 1qry h ARG 32 CO -0.65 -0.41 -0.10 1.96 0.00 0.00 0.00 179.97 180.77 1qry h GLN 33 N -1.11 -0.12 0.00 0.04 1.08 -0.29 -3.42 115.11 111.30 1qry h GLN 33 Ca -0.07 0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.13 1qry h GLN 33 Cb 0.61 0.03 0.00 0.00 -0.05 0.00 0.00 27.48 28.07 1qry h GLN 33 CO 0.12 -0.08 0.00 0.94 -0.95 0.00 0.00 178.83 178.86 1qry n GLN 34 N -5.23 3.19 0.10 1.46 -0.06 0.35 -5.08 117.38 112.11 1qry n GLN 34 Ca -0.04 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 54.96 1qry n GLN 34 Cb 0.16 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.34 1qry n GLN 34 CO 0.00 0.00 0.00 -2.13 -0.20 0.00 0.00 177.06 174.73 1qry n ARG 35 N 0.00 0.00 -2.66 3.69 0.63 -1.18 -4.65 116.66 112.49 1qry n ARG 35 Ca 0.00 0.00 -0.09 0.00 -0.92 0.00 0.00 57.85 56.84 1qry n ARG 35 Cb 0.00 -0.16 0.03 0.00 0.45 0.00 0.00 32.46 32.79 1qry n ARG 35 CO 0.00 0.00 0.00 2.48 -2.51 0.00 0.00 177.63 177.60 1qry n TYR 36 N -3.34 0.97 0.00 -0.14 0.18 -1.26 -4.76 117.16 108.81 1qry n TYR 36 Ca 0.00 -2.75 0.00 0.00 1.88 0.00 0.00 57.90 57.03 1qry n TYR 36 Cb 0.03 -0.28 0.00 0.00 -0.38 0.00 0.00 39.34 38.71 1qry n TYR 36 CO 0.00 0.00 0.00 1.28 -2.08 0.00 0.00 176.86 176.06 1qry n LEU 37 N -0.09 0.00 0.00 -3.48 4.32 -1.26 -4.88 117.00 111.61 1qry n LEU 37 Ca 0.08 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.07 1qry n LEU 37 Cb 0.82 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.62 1qry n LEU 37 CO 0.25 0.00 0.00 -1.20 -1.22 0.00 0.00 177.39 175.22 1qry n SER 38 N 0.48 0.00 0.01 -1.43 7.64 -1.26 -4.79 113.62 114.27 1qry n SER 38 Ca 0.00 0.00 -0.06 0.00 1.01 0.00 0.00 58.87 59.82 1qry n SER 38 Cb 0.00 0.00 -0.12 0.00 -1.01 0.00 0.00 64.21 63.08 1qry n SER 38 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1qry h ALA 39 N -2.00 0.66 -0.01 -0.43 0.00 -1.99 -3.38 119.26 112.11 1qry h ALA 39 Ca 0.00 -1.19 0.00 0.00 0.00 0.00 0.00 54.91 53.72 1qry h ALA 39 Cb 0.00 0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1qry h ALA 39 CO 0.00 1.35 -0.62 -0.35 0.00 0.00 0.00 179.25 179.63 1qry n PRO 40 N -3.09 1.49 0.08 0.00 -0.04 -1.26 -4.33 135.00 127.85 1qry n PRO 40 Ca -0.11 -0.37 0.12 0.00 -0.04 0.00 0.00 63.50 63.10 1qry n PRO 40 Cb 0.97 -1.31 0.16 0.00 -0.04 0.00 0.00 33.50 33.28 1qry n PRO 40 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1qry h GLU 41 N 0.84 0.00 0.00 0.54 3.07 -1.89 -3.27 114.58 113.86 1qry h GLU 41 Ca 0.00 0.00 -0.05 0.00 -0.50 0.00 0.00 59.36 58.81 1qry h GLU 41 Cb 0.49 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.39 1qry h GLU 41 CO 0.00 0.00 -0.86 0.07 -1.40 0.00 0.00 179.01 176.82 1qry h ARG 42 N 0.00 0.00 0.00 2.33 0.11 -1.76 -3.19 114.38 111.88 1qry h ARG 42 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1qry h ARG 42 Cb 0.81 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.89 1qry h ARG 42 CO 0.00 0.13 0.00 0.93 0.10 0.00 0.00 179.97 181.13 1qry h GLU 43 N 0.00 0.00 0.06 0.08 4.39 -1.75 0.48 114.58 117.83 1qry h GLU 43 Ca -0.04 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.54 1qry h GLU 43 Cb 1.18 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.83 1qry h GLU 43 CO 0.02 0.00 -0.60 1.25 -1.16 0.00 0.00 179.01 178.52 1qry h HIS 44 N 0.00 0.22 0.20 4.33 2.76 -1.73 -3.26 115.15 117.66 1qry h HIS 44 Ca 0.00 -0.16 0.01 0.00 -2.20 0.00 0.00 60.37 58.02 1qry h HIS 44 Cb 0.30 -0.01 -0.04 0.00 1.55 0.00 0.00 27.41 29.21 1qry h HIS 44 CO 0.00 1.23 -0.51 1.25 -1.30 0.00 0.00 177.93 178.60 1qry h LEU 45 N -0.73 -1.50 -0.03 0.26 7.12 -1.30 0.38 115.31 119.51 1qry h LEU 45 Ca -0.13 0.15 0.01 0.00 0.13 0.00 0.00 57.88 58.04 1qry h LEU 45 Cb 1.33 0.54 -0.00 0.00 -0.53 0.00 0.00 40.66 42.00 1qry h LEU 45 CO 0.02 -0.57 0.84 0.35 -0.13 0.00 0.00 178.44 178.95 1qry n THR 46 N -5.50 0.00 -0.07 1.05 -2.24 0.16 0.44 114.28 108.12 1qry n THR 46 Ca -0.09 0.84 -0.18 0.00 -2.27 0.00 0.00 64.05 62.35 1qry n THR 46 Cb 0.42 -1.67 -0.13 0.00 -2.10 0.00 0.00 70.33 66.85 1qry n THR 46 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1qry h SER 47 N 0.00 0.07 0.00 3.42 0.02 -0.29 -3.10 113.55 113.67 1qry h SER 47 Ca 0.02 -0.79 0.00 0.00 -0.84 0.00 0.00 61.79 60.17 1qry h SER 47 Cb 1.69 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 64.21 1qry h SER 47 CO -0.00 1.28 0.00 0.18 -1.14 0.00 0.00 176.83 177.15 1qry n LEU 48 N -4.44 0.00 -2.19 5.07 4.32 1.53 -4.07 117.00 117.22 1qry n LEU 48 Ca -0.20 0.05 -0.24 0.00 -0.02 0.00 0.00 56.01 55.59 1qry n LEU 48 Cb 0.62 0.00 0.17 0.00 -1.62 0.00 0.00 43.42 42.60 1qry n LEU 48 CO 0.30 0.00 1.28 2.30 -1.22 0.00 0.00 177.39 180.04 1qry n ILE 49 N -0.06 3.22 -2.29 -0.08 -0.00 -1.11 -4.91 119.36 114.13 1qry n ILE 49 Ca 0.00 -2.05 -0.12 0.00 -0.00 0.00 0.00 62.75 60.58 1qry n ILE 49 Cb 0.00 -0.52 -0.02 0.00 -0.00 0.00 0.00 39.64 39.10 1qry n ILE 49 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.55 177.09 1qry n ARG 50 N -1.13 -1.14 -0.03 6.28 1.74 -1.17 -4.60 116.66 116.61 1qry n ARG 50 Ca 0.59 0.04 0.00 0.00 -0.77 0.00 0.00 57.85 57.71 1qry n ARG 50 Cb 1.57 -1.82 0.00 0.00 -1.02 0.00 0.00 32.46 31.19 1qry n ARG 50 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1qry n LEU 51 N -1.63 2.15 -1.43 0.55 4.77 -1.26 -4.89 117.00 115.26 1qry n LEU 51 Ca 0.03 -1.06 0.00 0.00 -0.03 0.00 0.00 56.01 54.95 1qry n LEU 51 Cb 0.18 -0.37 -0.00 0.00 -2.33 0.00 0.00 43.42 40.90 1qry n LEU 51 CO 0.27 0.37 -0.36 0.35 -1.33 0.00 0.00 177.39 176.69 1qry n THR 52 N 0.74 -2.10 0.00 -5.08 -2.24 -1.26 -2.46 114.28 101.88 1qry n THR 52 Ca 0.00 1.06 0.00 0.00 -2.27 0.00 0.00 64.05 62.84 1qry n THR 52 Cb 0.34 -1.76 0.00 0.00 -2.10 0.00 0.00 70.33 66.81 1qry n THR 52 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 1qry n PRO 53 N -2.51 0.00 -0.32 -0.78 -0.01 -1.26 -0.12 135.00 130.00 1qry n PRO 53 Ca -0.00 0.00 0.03 0.00 -0.01 0.00 0.00 63.50 63.52 1qry n PRO 53 Cb 0.36 -0.49 0.09 0.00 -0.01 0.00 0.00 33.50 33.46 1qry n PRO 53 CO 0.00 0.00 0.00 2.41 -0.01 0.00 0.00 175.50 177.90 1qry n THR 54 N -0.16 -0.39 -0.14 3.45 -1.04 -1.26 0.19 114.28 114.93 1qry n THR 54 Ca 0.00 1.99 -0.11 0.00 -2.04 0.00 0.00 64.05 63.89 1qry n THR 54 Cb 0.00 -2.71 -0.08 0.00 -1.82 0.00 0.00 70.33 65.72 1qry n THR 54 CO 0.00 0.00 0.00 -0.61 -0.64 0.00 0.00 175.07 173.82 1qry h GLN 55 N 0.00 -0.29 -0.49 -2.82 4.15 -1.78 0.67 115.11 114.56 1qry h GLN 55 Ca 0.37 0.02 0.10 0.00 0.77 0.00 0.00 58.65 59.91 1qry h GLN 55 Cb 0.59 0.06 -0.10 0.00 0.21 0.00 0.00 27.48 28.24 1qry h GLN 55 CO -0.88 -0.19 -0.26 0.28 -1.93 0.00 0.00 178.83 175.85 1qry h VAL 56 N -0.30 0.28 -0.84 2.39 2.07 0.56 0.23 116.25 120.65 1qry h VAL 56 Ca 0.07 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.71 1qry h VAL 56 Cb 0.48 0.28 -0.08 0.00 -1.52 0.00 0.00 31.29 30.45 1qry h VAL 56 CO -0.53 0.00 0.45 0.50 0.02 0.00 0.00 177.57 178.01 1qry h LYS 57 N -0.15 0.67 -0.19 1.57 3.64 0.22 -2.17 116.57 120.15 1qry h LYS 57 Ca 0.22 -0.04 -0.16 0.00 -1.27 0.00 0.00 60.65 59.40 1qry h LYS 57 Cb 0.50 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.18 1qry h LYS 57 CO -0.58 0.44 -0.51 0.82 -2.27 0.00 0.00 179.45 177.36 1qry h ILE 58 N 0.69 1.31 -0.94 2.00 1.08 0.31 -3.09 117.51 118.86 1qry h ILE 58 Ca 0.43 -1.74 0.18 0.00 -0.39 0.00 0.00 64.86 63.34 1qry h ILE 58 Cb 0.53 1.89 -0.08 0.00 -3.07 0.00 0.00 36.82 36.09 1qry h ILE 58 CO -0.31 0.54 0.60 -0.25 -0.69 0.00 0.00 178.15 178.04 1qry h TRP 59 N 0.38 0.84 -0.71 1.37 7.01 -0.06 0.26 115.95 125.05 1qry h TRP 59 Ca -0.01 0.03 -0.02 0.00 2.11 0.00 0.00 58.89 60.99 1qry h TRP 59 Cb 1.12 -0.26 -0.03 0.00 -2.10 0.00 0.00 29.16 27.89 1qry h TRP 59 CO 0.09 0.24 0.34 0.74 -2.79 0.00 0.00 178.44 177.07 1qry h PHE 60 N 0.65 1.00 -0.92 2.65 -1.00 -1.40 -2.04 116.94 115.88 1qry h PHE 60 Ca 0.50 -0.04 0.14 0.00 2.81 0.00 0.00 57.97 61.39 1qry h PHE 60 Cb 0.91 -0.31 -0.07 0.00 3.61 0.00 0.00 35.95 40.08 1qry h PHE 60 CO -0.00 0.73 0.59 0.37 -1.61 0.00 0.00 178.31 178.38 1qry h GLN 61 N 1.00 0.74 -0.15 1.51 4.15 -0.47 1.50 115.11 123.39 1qry h GLN 61 Ca 0.25 -0.04 -0.04 0.00 0.77 0.00 0.00 58.65 59.58 1qry h GLN 61 Cb 0.10 -0.17 -0.00 0.00 0.21 0.00 0.00 27.48 27.62 1qry h GLN 61 CO -0.03 0.49 -0.07 -0.91 -1.93 0.00 0.00 178.83 176.38 1qry h ASN 62 N 0.76 0.32 0.14 -0.69 4.21 -1.28 -3.28 115.58 115.75 1qry h ASN 62 Ca 0.46 -0.41 -0.30 0.00 1.21 0.00 0.00 56.30 57.27 1qry h ASN 62 Cb 0.68 -0.09 0.03 0.00 -1.12 0.00 0.00 38.32 37.82 1qry h ASN 62 CO -0.23 0.65 -1.25 0.45 -1.29 0.00 0.00 177.43 175.77 1qry h HIS 63 N -0.02 0.99 -0.73 1.19 3.86 -1.20 -3.28 115.15 115.96 1qry h HIS 63 Ca 0.03 -0.64 0.13 0.00 -1.16 0.00 0.00 60.37 58.74 1qry h HIS 63 Cb 0.53 -0.07 -0.13 0.00 1.06 0.00 0.00 27.41 28.80 1qry h HIS 63 CO 0.06 1.48 -0.23 -2.13 0.86 0.00 0.00 177.93 177.97 1qry n ARG 64 N -3.81 -0.11 -0.12 2.45 3.00 0.51 0.38 116.66 118.95 1qry n ARG 64 Ca -0.14 1.13 -0.12 0.00 -0.00 0.00 0.00 57.85 58.72 1qry n ARG 64 Cb 0.99 -1.68 -0.03 0.00 0.00 0.00 0.00 32.46 31.74 1qry n ARG 64 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.63 176.71 1qry h TYR 65 N 0.00 0.81 0.12 -0.14 3.20 -1.66 -3.28 116.97 116.03 1qry h TYR 65 Ca 0.31 -0.19 -0.20 0.00 3.14 0.00 0.00 58.73 61.78 1qry h TYR 65 Cb 0.49 -0.19 0.02 0.00 1.54 0.00 0.00 36.73 38.59 1qry h TYR 65 CO -0.60 0.89 -0.86 0.87 -1.64 0.00 0.00 178.16 176.83 1qry h LYS 66 N 0.50 0.37 0.00 1.82 1.57 0.12 -3.13 116.57 117.83 1qry h LYS 66 Ca 0.08 -0.56 0.00 0.00 -1.87 0.00 0.00 60.65 58.30 1qry h LYS 66 Cb 0.66 0.20 0.00 0.00 0.08 0.00 0.00 32.23 33.16 1qry h LYS 66 CO 0.04 1.24 0.64 0.25 -0.57 0.00 0.00 179.45 181.06 1qry n THR 67 N -4.08 0.14 0.02 -0.16 -2.24 1.21 0.23 114.28 109.40 1qry n THR 67 Ca -0.13 0.75 -0.22 0.00 -2.27 0.00 0.00 64.05 62.17 1qry n THR 67 Cb 0.83 -1.75 -0.14 0.00 -2.10 0.00 0.00 70.33 67.17 1qry n THR 67 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1qry h LYS 68 N 0.00 0.29 0.00 -0.78 1.57 -1.60 -3.32 116.57 112.73 1qry h LYS 68 Ca 0.00 -0.49 -0.01 0.00 -1.87 0.00 0.00 60.65 58.28 1qry h LYS 68 Cb 1.28 0.18 -0.00 0.00 0.08 0.00 0.00 32.23 33.77 1qry h LYS 68 CO 0.00 1.23 -0.07 0.00 -0.57 0.00 0.00 179.45 180.05 1qry h ARG 69 N -0.11 0.00 0.67 3.15 -0.00 0.28 -2.86 114.38 115.51 1qry h ARG 69 Ca -0.35 0.00 -0.03 0.00 -0.50 0.00 0.00 59.98 59.10 1qry h ARG 69 Cb 1.92 0.00 0.01 0.00 0.00 0.00 0.00 29.97 31.89 1qry h ARG 69 CO 0.09 0.07 -0.32 0.00 0.00 0.00 0.00 179.97 179.81 1qry h ALA 70 N 1.93 -0.90 -0.76 0.04 0.00 -1.49 0.08 119.26 118.17 1qry h ALA 70 Ca -0.00 -0.21 0.06 0.00 0.00 0.00 0.00 54.91 54.75 1qry h ALA 70 Cb 0.30 0.35 -0.05 0.00 0.00 0.00 0.00 17.79 18.39 1qry h ALA 70 CO 0.01 -0.90 0.50 1.96 0.00 0.00 0.00 179.25 180.82 1qry h GLN 71 N -1.11 0.81 0.00 0.00 4.20 -1.66 0.16 115.11 117.51 1qry h GLN 71 Ca -0.09 -0.05 -0.06 0.00 0.06 0.00 0.00 58.65 58.51 1qry h GLN 71 Cb 0.72 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 28.31 1qry h GLN 71 CO 0.15 0.54 -0.27 -0.91 -0.67 0.00 0.00 178.83 177.66 1qry h ASN 72 N 0.83 0.00 0.00 1.46 4.21 -1.35 -3.35 115.58 117.38 1qry h ASN 72 Ca 0.32 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.83 1qry h ASN 72 Cb 0.21 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.41 1qry h ASN 72 CO -0.11 0.27 0.00 -0.62 -1.29 0.00 0.00 177.43 175.69 1qry n GLU 73 N -3.69 0.00 -3.72 0.81 -0.58 0.28 -4.82 120.64 108.92 1qry n GLU 73 Ca -0.01 0.00 -0.31 0.00 -0.42 0.00 0.00 57.16 56.42 1qry n GLU 73 Cb 0.39 -0.20 -0.06 0.00 -0.57 0.00 0.00 31.44 31.00 1qry n GLU 73 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 1qry n LYS 74 N -0.54 -0.80 -2.95 3.49 3.00 0.30 -4.84 118.16 115.82 1qry n LYS 74 Ca 0.00 0.10 -0.11 0.00 -0.00 0.00 0.00 58.31 58.30 1qry n LYS 74 Cb 0.00 -3.38 -0.03 0.00 0.00 0.00 0.00 35.03 31.62 1qry n LYS 74 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1qry n GLY 75 N -0.98 3.84 0.08 3.14 0.00 -1.26 -5.00 105.19 105.00 1qry n GLY 75 Ca 0.07 -2.10 0.10 0.00 0.00 0.00 0.00 46.02 44.09 1qry n GLY 75 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1qry n TYR 76 N -0.40 0.48 -2.63 1.61 4.01 -1.26 -4.96 117.16 114.02 1qry n TYR 76 Ca -0.04 0.18 -0.04 0.00 -0.16 0.00 0.00 57.90 57.84 1qry n TYR 76 Cb 0.24 -0.80 -0.03 0.00 -0.31 0.00 0.00 39.34 38.44 1qry n TYR 76 CO 0.00 0.00 0.00 -1.91 -0.46 0.00 0.00 176.86 174.49 1qry n GLU 77 N -1.94 -3.90 0.00 -0.72 2.13 -1.26 -4.95 120.64 110.01 1qry n GLU 77 Ca 0.03 2.95 0.00 0.00 0.66 0.00 0.00 57.16 60.80 1qry n GLU 77 Cb 0.22 -4.02 0.00 0.00 0.27 0.00 0.00 31.44 27.92 1qry n GLU 77 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1qry n GLY 78 N 1.92 -1.04 3.43 8.31 0.00 -1.26 -5.14 105.19 111.41 1qry n GLY 78 Ca -0.27 0.27 -0.14 0.00 0.00 0.00 0.00 46.02 45.89 1qry n GLY 78 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1qry s HIS 79 N 0.00 -0.56 -0.41 1.61 3.76 -1.26 -5.31 115.29 113.11 1qry s HIS 79 Ca 0.00 1.28 0.00 0.00 -0.15 0.00 0.00 55.06 56.19 1qry s HIS 79 Cb 0.00 0.22 0.00 0.00 1.11 0.00 0.00 32.58 33.91 1qry s HIS 79 CO 0.00 -0.35 0.10 -2.30 -0.85 0.00 0.00 174.74 171.35