#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 0.00 0.00 1.61 3.41 -1.26 -5.06 113.62 112.32 1qry n SER 2 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1qry n SER 2 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1qry n SER 2 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 1qry n HIS 3 N 0.00 0.00 0.00 7.33 -0.00 -1.26 -5.11 115.22 116.18 1qry n HIS 3 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 1qry n HIS 3 Cb 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 29.87 1qry n HIS 3 CO 0.00 0.00 0.00 -0.12 0.46 0.00 0.00 176.34 176.68 1qry n MET 4 N -0.67 0.00 -2.96 1.57 0.00 -1.26 -5.03 117.12 108.77 1qry n MET 4 Ca 0.00 0.00 -0.30 0.00 -0.00 0.00 0.00 57.70 57.40 1qry n MET 4 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 33.22 33.19 1qry n MET 4 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 1qry n SER 5 N 0.00 4.95 -3.60 6.12 2.88 -1.26 -5.01 113.62 117.70 1qry n SER 5 Ca 0.00 -3.64 -0.05 0.00 -1.33 0.00 0.00 58.87 53.85 1qry n SER 5 Cb 0.00 -0.71 -0.02 0.00 -0.75 0.00 0.00 64.21 62.73 1qry n SER 5 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1qry s ASP 6 N -2.91 -0.15 0.00 -3.46 2.15 -1.26 -5.13 116.67 105.91 1qry s ASP 6 Ca 0.45 0.02 0.00 0.00 0.43 0.00 0.00 52.55 53.46 1qry s ASP 6 Cb 0.24 0.15 0.00 0.00 -0.30 0.00 0.00 42.92 43.01 1qry s ASP 6 CO -0.11 -0.23 0.00 0.61 -0.17 0.00 0.00 175.17 175.27 1qry n GLY 7 N -0.00 -1.19 3.59 2.66 0.00 -1.26 -4.67 105.19 104.32 1qry n GLY 7 Ca -0.00 0.54 -0.17 0.00 0.00 0.00 0.00 46.02 46.39 1qry n GLY 7 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1qry n LEU 8 N -0.07 -0.23 -0.35 0.99 4.32 -1.26 -4.69 117.00 115.71 1qry n LEU 8 Ca 0.00 -0.57 0.14 0.00 -0.02 0.00 0.00 56.01 55.56 1qry n LEU 8 Cb 0.00 -0.69 0.33 0.00 -1.62 0.00 0.00 43.42 41.44 1qry n LEU 8 CO 0.00 0.28 1.19 1.55 -1.22 0.00 0.00 177.39 179.20 1qry h PRO 9 N 0.19 0.72 0.04 3.23 0.13 -1.98 -1.11 132.00 133.22 1qry h PRO 9 Ca -0.30 -0.04 -0.29 0.00 -0.87 0.00 0.00 66.00 64.50 1qry h PRO 9 Cb 0.61 -0.16 -0.03 0.00 0.13 0.00 0.00 31.00 31.55 1qry h PRO 9 CO 0.27 0.47 -1.60 -0.91 -0.23 0.00 0.00 178.00 176.00 1qry h ASN 10 N 0.74 0.14 -0.16 1.44 -0.26 -2.06 -3.48 115.58 111.93 1qry h ASN 10 Ca 0.59 -0.24 -0.04 0.00 -0.56 0.00 0.00 56.30 56.05 1qry h ASN 10 Cb 0.95 -0.04 -0.01 0.00 -1.06 0.00 0.00 38.32 38.16 1qry h ASN 10 CO -0.39 1.21 -0.04 1.17 -1.06 0.00 0.00 177.43 178.31 1qry n LYS 11 N -3.24 -0.14 -3.64 0.81 3.00 -0.42 -5.01 118.16 109.53 1qry n LYS 11 Ca -0.16 0.37 -0.07 0.00 -0.00 0.00 0.00 58.31 58.45 1qry n LYS 11 Cb 1.03 -3.96 -0.07 0.00 0.00 0.00 0.00 35.03 32.04 1qry n LYS 11 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 1qry s LYS 12 N -2.97 0.32 -0.30 1.64 2.20 -1.26 -5.15 119.74 114.22 1qry s LYS 12 Ca 0.00 0.39 -0.12 0.00 -0.36 0.00 0.00 55.97 55.88 1qry s LYS 12 Cb 0.00 0.16 0.13 0.00 -1.51 0.00 0.00 37.83 36.61 1qry s LYS 12 CO 0.00 -0.04 0.76 -0.98 -0.36 0.00 0.00 175.35 174.73 1qry s ARG 13 N 0.17 0.51 0.00 4.03 1.70 -1.26 -4.99 118.95 119.10 1qry s ARG 13 Ca 0.05 1.21 0.15 0.00 -0.47 0.00 0.00 55.73 56.67 1qry s ARG 13 Cb -0.05 0.65 0.88 0.00 -0.57 0.00 0.00 34.95 35.86 1qry s ARG 13 CO -0.10 -0.16 1.31 1.17 -1.08 0.00 0.00 175.30 176.44 1qry n LYS 14 N 5.12 0.45 -3.90 3.89 4.81 -1.26 -4.83 118.16 122.43 1qry n LYS 14 Ca -0.12 0.01 -0.26 0.00 -0.87 0.00 0.00 58.31 57.07 1qry n LYS 14 Cb 0.51 -1.50 0.00 0.00 0.02 0.00 0.00 35.03 34.06 1qry n LYS 14 CO 0.00 0.00 0.00 -2.13 1.17 0.00 0.00 177.40 176.44 1qry n ARG 15 N -1.02 -4.07 -0.77 1.64 0.63 -1.26 -4.88 116.66 106.93 1qry n ARG 15 Ca 0.11 0.49 -0.29 0.00 -0.92 0.00 0.00 57.85 57.24 1qry n ARG 15 Cb 0.06 -4.92 0.10 0.00 0.45 0.00 0.00 32.46 28.15 1qry n ARG 15 CO 0.00 0.00 0.00 2.89 -2.51 0.00 0.00 177.63 178.01 1qry n ARG 16 N -4.40 -0.99 -0.64 -0.14 0.00 -1.26 -4.85 116.66 104.37 1qry n ARG 16 Ca -0.22 -0.29 -0.31 0.00 -0.00 0.00 0.00 57.85 57.03 1qry n ARG 16 Cb 0.64 -1.33 0.19 0.00 -0.00 0.00 0.00 32.46 31.96 1qry n ARG 16 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.63 179.18 1qry n VAL 17 N -3.95 0.00 0.00 8.89 3.14 -1.26 -5.04 118.33 120.11 1qry n VAL 17 Ca 0.00 -0.31 0.00 0.00 -2.96 0.00 0.00 64.34 61.08 1qry n VAL 17 Cb 0.56 -0.73 0.00 0.00 -1.06 0.00 0.00 33.84 32.61 1qry n VAL 17 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 1qry n LEU 18 N -2.64 0.00 -3.63 6.55 4.77 -1.26 -5.15 117.00 115.64 1qry n LEU 18 Ca 0.03 0.00 -0.05 0.00 -0.03 0.00 0.00 56.01 55.96 1qry n LEU 18 Cb 0.58 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.61 1qry n LEU 18 CO 0.53 0.00 0.48 -0.36 -1.33 0.00 0.00 177.39 176.71 1qry s PHE 19 N 4.65 -0.87 -0.78 -1.77 0.08 -1.26 -5.08 117.98 112.94 1qry s PHE 19 Ca 0.00 1.72 -0.36 0.00 0.12 0.00 0.00 56.93 58.42 1qry s PHE 19 Cb 0.00 0.52 -0.20 0.00 -0.57 0.00 0.00 43.02 42.77 1qry s PHE 19 CO 0.00 -0.43 2.47 0.25 -0.10 0.00 0.00 175.22 177.41 1qry n THR 20 N 4.16 0.00 -0.44 0.64 -2.24 -1.26 -4.55 114.28 110.60 1qry n THR 20 Ca -0.19 -0.04 0.33 0.00 -2.27 0.00 0.00 64.05 61.89 1qry n THR 20 Cb 0.58 -0.62 0.50 0.00 -2.10 0.00 0.00 70.33 68.69 1qry n THR 20 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1qry n LYS 21 N 8.14 -0.00 0.00 -0.78 3.00 -1.26 0.79 118.16 128.06 1qry n LYS 21 Ca 0.60 0.66 0.00 0.00 -0.00 0.00 0.00 58.31 59.57 1qry n LYS 21 Cb 0.03 -1.53 0.00 0.00 0.00 0.00 0.00 35.03 33.53 1qry n LYS 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1qry n ALA 22 N -2.57 -0.30 -0.86 3.14 0.00 -1.26 -0.16 120.51 118.51 1qry n ALA 22 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.71 1qry n ALA 22 Cb 1.24 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.69 1qry n ALA 22 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1qry n GLN 23 N -1.65 0.00 -0.16 0.00 3.00 0.24 0.20 117.38 119.01 1qry n GLN 23 Ca 0.00 0.47 0.11 0.00 -0.01 0.00 0.00 57.00 57.57 1qry n GLN 23 Cb 0.00 -0.92 0.21 0.00 0.00 0.00 0.00 30.24 29.53 1qry n GLN 23 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.06 179.47 1qry n THR 24 N -1.04 -0.21 0.34 5.09 -1.04 -1.04 0.20 114.28 116.58 1qry n THR 24 Ca 0.00 1.04 -0.13 0.00 -2.04 0.00 0.00 64.05 62.92 1qry n THR 24 Cb 0.00 -1.60 -0.06 0.00 -1.82 0.00 0.00 70.33 66.85 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 -0.80 0.37 -1.42 3.20 0.58 1.07 116.97 119.96 1qry h TYR 25 Ca 0.35 -0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.19 1qry h TYR 25 Cb 0.84 0.27 -0.01 0.00 1.54 0.00 0.00 36.73 39.37 1qry h TYR 25 CO -0.14 -0.50 -0.29 0.93 -1.64 0.00 0.00 178.16 176.52 1qry h GLU 26 N -0.99 -0.61 -1.01 1.82 4.39 0.65 1.19 114.58 120.02 1qry h GLU 26 Ca -0.09 0.04 0.38 0.00 0.34 0.00 0.00 59.36 60.03 1qry h GLU 26 Cb 0.66 0.14 -0.13 0.00 -0.10 0.00 0.00 28.75 29.32 1qry h GLU 26 CO 0.15 -0.41 0.61 -0.11 -1.16 0.00 0.00 179.01 178.09 1qry n LEU 27 N -4.12 0.23 0.00 1.33 7.94 0.52 0.95 117.00 123.84 1qry n LEU 27 Ca -0.08 1.26 -0.07 0.00 -1.11 0.00 0.00 56.01 56.01 1qry n LEU 27 Cb 0.28 -0.62 -0.05 0.00 0.53 0.00 0.00 43.42 43.56 1qry n LEU 27 CO 0.17 -1.39 0.20 -0.33 -1.11 0.00 0.00 177.39 174.94 1qry h GLU 28 N 0.00 -0.12 -1.08 1.96 5.08 0.33 -3.25 114.58 117.49 1qry h GLU 28 Ca 0.72 0.01 0.34 0.00 -1.00 0.00 0.00 59.36 59.44 1qry h GLU 28 Cb 2.15 0.03 -0.08 0.00 0.50 0.00 0.00 28.75 31.35 1qry h GLU 28 CO -0.50 0.22 0.74 0.54 -1.00 0.00 0.00 179.01 179.01 1qry n ARG 29 N -4.82 -0.01 -0.32 2.33 5.12 0.39 0.42 116.66 119.76 1qry n ARG 29 Ca -0.05 0.78 -0.04 0.00 -1.93 0.00 0.00 57.85 56.62 1qry n ARG 29 Cb 0.19 -1.65 0.10 0.00 -1.16 0.00 0.00 32.46 29.94 1qry n ARG 29 CO 0.00 0.00 0.00 -0.09 -1.93 0.00 0.00 177.63 175.61 1qry h ARG 30 N 0.00 1.24 -1.23 5.56 1.12 -1.41 -1.79 114.38 117.87 1qry h ARG 30 Ca 0.60 -0.15 0.37 0.00 -1.11 0.00 0.00 59.98 59.69 1qry h ARG 30 Cb 2.15 -0.24 -0.10 0.00 -0.01 0.00 0.00 29.97 31.77 1qry h ARG 30 CO -0.18 0.91 0.82 0.35 -3.11 0.00 0.00 179.97 178.75 1qry h PHE 31 N 1.24 0.46 0.00 2.20 3.04 0.83 0.70 116.94 125.41 1qry h PHE 31 Ca 0.31 0.02 -0.01 0.00 3.98 0.00 0.00 57.97 62.27 1qry h PHE 31 Cb 0.04 -0.12 -0.00 0.00 2.56 0.00 0.00 35.95 38.42 1qry h PHE 31 CO 0.01 -0.06 -0.16 0.00 -2.02 0.00 0.00 178.31 176.08 1qry h ARG 32 N 0.18 0.00 0.00 1.11 -0.00 -1.42 -3.26 114.38 110.99 1qry h ARG 32 Ca 0.70 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 60.18 1qry h ARG 32 Cb 2.19 0.00 0.00 0.00 0.00 0.00 0.00 29.97 32.16 1qry h ARG 32 CO -0.28 0.23 0.04 1.04 0.00 0.00 0.00 179.97 181.00 1qry n GLN 33 N -4.70 0.00 -3.67 0.04 6.02 -0.64 -4.43 117.38 110.00 1qry n GLN 33 Ca -0.05 0.41 -0.12 0.00 -0.01 0.00 0.00 57.00 57.24 1qry n GLN 33 Cb 0.17 -1.54 -0.08 0.00 1.02 0.00 0.00 30.24 29.80 1qry n GLN 33 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 177.06 174.91 1qry s GLN 34 N -2.82 0.66 0.00 -1.09 2.00 0.23 -5.02 119.66 113.62 1qry s GLN 34 Ca 0.00 0.91 0.04 0.00 -2.00 0.00 0.00 55.36 54.31 1qry s GLN 34 Cb 0.00 0.25 0.04 0.00 0.80 0.00 0.00 33.01 34.10 1qry s GLN 34 CO 0.00 -0.11 0.69 2.89 -0.50 0.00 0.00 175.29 178.27 1qry n ARG 35 N 3.29 0.01 -2.83 1.67 1.85 -1.25 -3.87 116.66 115.53 1qry n ARG 35 Ca -0.16 -0.88 -0.12 0.00 -1.00 0.00 0.00 57.85 55.69 1qry n ARG 35 Cb 0.56 -1.09 0.03 0.00 -1.05 0.00 0.00 32.46 30.91 1qry n ARG 35 CO 0.00 0.00 0.00 2.48 -0.01 0.00 0.00 177.63 180.10 1qry n TYR 36 N 0.20 0.19 -0.82 2.89 0.18 -1.26 -5.13 117.16 113.41 1qry n TYR 36 Ca 0.03 -2.97 -0.12 0.00 1.88 0.00 0.00 57.90 56.71 1qry n TYR 36 Cb 0.13 -0.04 0.01 0.00 -0.38 0.00 0.00 39.34 39.06 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 0.01 -2.29 0.00 -3.48 4.32 -1.26 -4.96 117.00 109.34 1qry n LEU 37 Ca 0.12 -0.01 0.00 0.00 -0.02 0.00 0.00 56.01 56.11 1qry n LEU 37 Cb 0.77 -0.51 0.00 0.00 -1.62 0.00 0.00 43.42 42.06 1qry n LEU 37 CO 0.20 -2.18 0.00 -1.20 -1.22 0.00 0.00 177.39 172.98 1qry n SER 38 N 3.04 0.00 -0.11 -1.43 7.64 -1.26 -4.81 113.62 116.69 1qry n SER 38 Ca -0.00 0.00 0.07 0.00 1.01 0.00 0.00 58.87 59.94 1qry n SER 38 Cb 0.24 0.00 0.13 0.00 -1.01 0.00 0.00 64.21 63.57 1qry n SER 38 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1qry n ALA 39 N -0.09 0.23 -0.04 -0.43 0.00 -1.26 0.46 120.51 119.38 1qry n ALA 39 Ca 0.00 0.36 -0.14 0.00 0.00 0.00 0.00 53.44 53.65 1qry n ALA 39 Cb 0.00 -0.29 -0.09 0.00 0.00 0.00 0.00 19.45 19.07 1qry n ALA 39 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1qry h PRO 40 N 0.00 0.31 -0.03 0.00 0.10 -1.99 0.15 132.00 130.54 1qry h PRO 40 Ca 0.23 -0.22 -0.04 0.00 0.10 0.00 0.00 66.00 66.08 1qry h PRO 40 Cb 0.53 0.03 0.00 0.00 0.10 0.00 0.00 31.00 31.66 1qry h PRO 40 CO -0.30 0.83 -0.12 1.49 0.10 0.00 0.00 178.00 180.00 1qry h GLU 41 N -0.15 0.14 0.07 1.05 4.57 0.98 -3.28 114.58 117.96 1qry h GLU 41 Ca -0.00 -0.10 0.01 0.00 -1.18 0.00 0.00 59.36 58.09 1qry h GLU 41 Cb 0.83 0.02 -0.05 0.00 -0.16 0.00 0.00 28.75 29.40 1qry h GLU 41 CO 0.05 0.74 -0.49 0.00 -1.18 0.00 0.00 179.01 178.13 1qry h ARG 42 N -0.44 -0.64 -1.43 1.92 3.08 0.77 0.47 114.38 118.11 1qry h ARG 42 Ca -0.01 0.04 0.41 0.00 0.07 0.00 0.00 59.98 60.50 1qry h ARG 42 Cb 0.76 0.15 -0.06 0.00 0.08 0.00 0.00 29.97 30.90 1qry h ARG 42 CO 0.03 -0.43 1.11 0.39 -1.07 0.00 0.00 179.97 179.99 1qry n GLU 43 N -5.22 0.00 -0.08 0.04 -0.58 0.52 0.22 120.64 115.54 1qry n GLU 43 Ca -0.07 0.85 -0.06 0.00 -0.42 0.00 0.00 57.16 57.46 1qry n GLU 43 Cb 0.37 -2.00 0.00 0.00 -0.57 0.00 0.00 31.44 29.24 1qry n GLU 43 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 1qry h HIS 44 N 0.00 -0.02 0.39 -0.32 2.76 -0.11 -2.75 115.15 115.09 1qry h HIS 44 Ca 0.68 0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 58.85 1qry h HIS 44 Cb 2.89 0.06 0.00 0.00 1.55 0.00 0.00 27.41 31.91 1qry h HIS 44 CO 0.00 -0.06 -0.19 1.25 -1.30 0.00 0.00 177.93 177.64 1qry h LEU 45 N 0.09 -0.44 -0.81 0.26 5.85 0.26 -2.99 115.31 117.53 1qry h LEU 45 Ca 0.15 -0.13 0.23 0.00 0.84 0.00 0.00 57.88 58.97 1qry h LEU 45 Cb 0.20 0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.31 1qry h LEU 45 CO -0.25 -0.02 0.66 0.35 -0.34 0.00 0.00 178.44 178.84 1qry n THR 46 N -5.15 0.00 -0.04 1.05 -2.24 -1.05 0.52 114.28 107.36 1qry n THR 46 Ca -0.09 0.69 -0.12 0.00 -2.27 0.00 0.00 64.05 62.26 1qry n THR 46 Cb 0.28 -1.18 -0.10 0.00 -2.10 0.00 0.00 70.33 67.23 1qry n THR 46 CO 0.00 0.00 0.00 -1.28 -0.57 0.00 0.00 175.07 173.22 1qry h SER 47 N 0.00 -0.03 0.00 3.42 0.87 -1.34 -2.64 113.55 113.83 1qry h SER 47 Ca 0.38 -0.71 0.00 0.00 -1.23 0.00 0.00 61.79 60.23 1qry h SER 47 Cb 1.71 0.01 0.00 0.00 -0.44 0.00 0.00 62.40 63.67 1qry h SER 47 CO -0.00 0.77 0.00 0.18 -0.53 0.00 0.00 176.83 177.25 1qry n LEU 48 N -4.71 0.00 -0.72 2.23 4.32 1.96 -4.21 117.00 115.87 1qry n LEU 48 Ca -0.08 0.16 0.11 0.00 -0.02 0.00 0.00 56.01 56.18 1qry n LEU 48 Cb 0.36 0.00 0.05 0.00 -1.62 0.00 0.00 43.42 42.21 1qry n LEU 48 CO 0.29 0.00 0.48 2.30 -1.22 0.00 0.00 177.39 179.23 1qry n ILE 49 N -0.23 0.00 -1.86 -0.08 -0.00 -1.13 -4.98 119.36 111.07 1qry n ILE 49 Ca 0.00 -0.41 -0.07 0.00 -0.00 0.00 0.00 62.75 62.27 1qry n ILE 49 Cb 0.00 1.37 -0.01 0.00 -0.00 0.00 0.00 39.64 41.00 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 0.72 -0.56 -0.02 6.28 1.74 -1.00 -4.85 116.66 118.98 1qry n ARG 50 Ca 0.11 0.47 0.00 0.00 -0.77 0.00 0.00 57.85 57.67 1qry n ARG 50 Cb 0.51 -4.35 0.00 0.00 -1.02 0.00 0.00 32.46 27.60 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 -0.98 1.62 -1.47 0.55 7.99 -1.26 -4.86 117.00 118.57 1qry n LEU 51 Ca -0.08 -0.80 0.00 0.00 -0.01 0.00 0.00 56.01 55.12 1qry n LEU 51 Cb 0.47 -0.28 0.00 0.00 -0.11 0.00 0.00 43.42 43.50 1qry n LEU 51 CO 0.10 0.27 -0.02 0.35 -1.51 0.00 0.00 177.39 176.59 1qry n THR 52 N 0.82 -0.22 -0.25 -5.08 -2.24 -1.26 0.15 114.28 106.19 1qry n THR 52 Ca 0.00 0.10 -0.06 0.00 -2.27 0.00 0.00 64.05 61.82 1qry n THR 52 Cb 0.26 -0.13 -0.06 0.00 -2.10 0.00 0.00 70.33 68.29 1qry n THR 52 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 1qry n PRO 53 N 0.37 -0.26 0.29 -0.78 -0.04 -1.26 0.17 135.00 133.49 1qry n PRO 53 Ca 0.00 1.08 -0.14 0.00 -0.04 0.00 0.00 63.50 64.40 1qry n PRO 53 Cb 0.00 -1.59 -0.07 0.00 -0.04 0.00 0.00 33.50 31.79 1qry n PRO 53 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 1qry h THR 54 N 0.00 0.21 -1.06 0.52 2.02 -1.96 -2.57 112.91 110.06 1qry h THR 54 Ca 0.09 -0.40 0.31 0.00 0.77 0.00 0.00 66.41 67.19 1qry h THR 54 Cb 0.24 0.29 -0.12 0.00 -1.74 0.00 0.00 68.15 66.82 1qry h THR 54 CO -0.55 0.03 0.65 -0.61 0.37 0.00 0.00 175.52 175.41 1qry h GLN 55 N -1.10 0.35 0.37 6.66 5.75 -1.43 0.59 115.11 126.30 1qry h GLN 55 Ca -0.08 -0.02 -0.00 0.00 -0.15 0.00 0.00 58.65 58.40 1qry h GLN 55 Cb 0.65 -0.08 -0.03 0.00 1.07 0.00 0.00 27.48 29.09 1qry h GLN 55 CO 0.13 0.23 -0.44 0.28 -2.65 0.00 0.00 178.83 176.38 1qry h VAL 56 N 0.36 0.12 0.07 2.39 2.07 1.09 0.24 116.25 122.59 1qry h VAL 56 Ca 0.69 0.00 0.00 0.00 0.82 0.00 0.00 66.70 68.21 1qry h VAL 56 Cb 1.67 0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 31.56 1qry h VAL 56 CO -0.46 0.00 -0.08 0.50 0.02 0.00 0.00 177.57 177.55 1qry h LYS 57 N -0.84 -0.17 -0.90 1.57 3.64 0.29 0.11 116.57 120.26 1qry h LYS 57 Ca -0.03 0.01 0.26 0.00 -1.27 0.00 0.00 60.65 59.62 1qry h LYS 57 Cb 0.77 0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 32.59 1qry h LYS 57 CO -0.11 -0.11 0.67 0.82 -2.27 0.00 0.00 179.45 178.45 1qry h ILE 58 N -0.18 0.51 -0.03 2.00 1.08 0.31 0.41 117.51 121.61 1qry h ILE 58 Ca 0.01 0.00 -0.15 0.00 -0.39 0.00 0.00 64.86 64.33 1qry h ILE 58 Cb 0.18 0.53 0.01 0.00 -3.07 0.00 0.00 36.82 34.47 1qry h ILE 58 CO -0.03 0.00 -0.56 -0.25 -0.69 0.00 0.00 178.15 176.61 1qry h TRP 59 N 0.00 0.62 -0.72 1.37 7.01 0.14 -3.21 115.95 121.16 1qry h TRP 59 Ca 0.43 -0.32 0.16 0.00 2.11 0.00 0.00 58.89 61.27 1qry h TRP 59 Cb 1.76 -0.08 -0.12 0.00 -2.10 0.00 0.00 29.16 28.63 1qry h TRP 59 CO 0.00 1.12 0.08 0.74 -2.79 0.00 0.00 178.44 177.59 1qry h PHE 60 N -0.06 0.08 -0.94 2.65 -1.00 0.95 0.40 116.94 119.03 1qry h PHE 60 Ca -0.06 0.05 0.25 0.00 2.81 0.00 0.00 57.97 61.02 1qry h PHE 60 Cb 1.26 0.08 -0.13 0.00 3.61 0.00 0.00 35.95 40.76 1qry h PHE 60 CO 0.14 -0.17 0.45 0.37 -1.61 0.00 0.00 178.31 177.49 1qry h GLN 61 N 0.17 0.38 0.39 1.51 4.15 -1.40 3.20 115.11 123.51 1qry h GLN 61 Ca 0.40 -0.02 -0.02 0.00 0.77 0.00 0.00 58.65 59.78 1qry h GLN 61 Cb 0.70 -0.09 0.00 0.00 0.21 0.00 0.00 27.48 28.31 1qry h GLN 61 CO -0.58 0.25 -0.19 -0.97 -1.93 0.00 0.00 178.83 175.41 1qry h ASN 62 N 0.39 -0.44 -0.01 -0.69 -1.24 -0.29 -2.80 115.58 110.50 1qry h ASN 62 Ca 0.62 -0.06 -0.08 0.00 0.71 0.00 0.00 56.30 57.48 1qry h ASN 62 Cb 1.24 0.11 0.01 0.00 0.73 0.00 0.00 38.32 40.41 1qry h ASN 62 CO -0.56 -0.21 -0.32 0.45 -1.29 0.00 0.00 177.43 175.50 1qry h HIS 63 N -0.65 0.34 -0.83 0.67 3.86 -0.84 -2.92 115.15 114.78 1qry h HIS 63 Ca -0.05 -0.18 0.23 0.00 -1.16 0.00 0.00 60.37 59.21 1qry h HIS 63 Cb 0.47 -0.04 -0.16 0.00 1.06 0.00 0.00 27.41 28.74 1qry h HIS 63 CO -0.02 0.98 0.04 -2.13 0.86 0.00 0.00 177.93 177.65 1qry n ARG 64 N -4.44 -0.07 -0.04 2.45 3.00 1.05 0.33 116.66 118.94 1qry n ARG 64 Ca -0.10 1.24 -0.14 0.00 -0.00 0.00 0.00 57.85 58.86 1qry n ARG 64 Cb 0.54 -1.99 -0.08 0.00 0.00 0.00 0.00 32.46 30.92 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 0.43 0.12 -0.14 3.20 -1.51 -3.32 116.97 115.76 1qry h TYR 65 Ca 0.51 -0.16 -0.19 0.00 3.14 0.00 0.00 58.73 62.03 1qry h TYR 65 Cb 1.08 -0.08 0.02 0.00 1.54 0.00 0.00 36.73 39.29 1qry h TYR 65 CO -0.41 0.85 -0.80 0.87 -1.64 0.00 0.00 178.16 177.03 1qry h LYS 66 N -0.11 0.33 0.00 1.82 1.57 0.80 -3.14 116.57 117.84 1qry h LYS 66 Ca -0.00 -0.51 0.00 0.00 -1.87 0.00 0.00 60.65 58.26 1qry h LYS 66 Cb 0.84 0.19 0.00 0.00 0.08 0.00 0.00 32.23 33.34 1qry h LYS 66 CO 0.05 1.23 0.66 1.79 -0.57 0.00 0.00 179.45 182.61 1qry h THR 67 N -0.31 0.00 0.03 -0.16 1.35 0.54 1.29 112.91 115.66 1qry h THR 67 Ca -0.13 0.00 -0.20 0.00 -0.55 0.00 0.00 66.41 65.52 1qry h THR 67 Cb 1.61 0.07 -0.02 0.00 -1.73 0.00 0.00 68.15 68.08 1qry h THR 67 CO 0.15 0.00 -1.08 0.11 -0.25 0.00 0.00 175.52 174.45 1qry h LYS 68 N 0.00 0.06 0.00 4.72 1.57 -1.64 -3.30 116.57 117.98 1qry h LYS 68 Ca 0.00 -0.11 0.00 0.00 -1.87 0.00 0.00 60.65 58.67 1qry h LYS 68 Cb 1.31 0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.66 1qry h LYS 68 CO 0.00 1.05 0.34 0.00 -0.57 0.00 0.00 179.45 180.27 1qry h ARG 69 N -0.80 0.00 -0.07 3.15 3.08 0.16 0.11 114.38 120.01 1qry h ARG 69 Ca -0.27 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 59.68 1qry h ARG 69 Cb 1.38 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.43 1qry h ARG 69 CO -0.10 0.00 -0.31 0.00 -1.07 0.00 0.00 179.97 178.49 1qry h ALA 70 N 1.20 0.13 -0.15 0.04 0.00 -1.57 -2.58 119.26 116.33 1qry h ALA 70 Ca 0.00 -0.44 -0.09 0.00 0.00 0.00 0.00 54.91 54.38 1qry h ALA 70 Cb 0.67 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 1qry h ALA 70 CO 0.00 0.18 -0.32 1.96 0.00 0.00 0.00 179.25 181.07 1qry h GLN 71 N -0.16 0.29 -0.16 0.00 4.20 -0.93 -1.07 115.11 117.29 1qry h GLN 71 Ca -0.02 -0.11 -0.09 0.00 0.06 0.00 0.00 58.65 58.49 1qry h GLN 71 Cb 0.96 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.71 1qry h GLN 71 CO 0.06 0.58 -0.29 -0.97 -0.67 0.00 0.00 178.83 177.55 1qry h ASN 72 N 0.25 0.30 0.00 1.46 -0.73 -1.47 -3.38 115.58 112.02 1qry h ASN 72 Ca 0.03 -0.10 0.00 0.00 1.87 0.00 0.00 56.30 58.10 1qry h ASN 72 Cb 0.69 -0.08 0.00 0.00 0.27 0.00 0.00 38.32 39.20 1qry h ASN 72 CO 0.05 0.59 0.00 -0.62 -0.37 0.00 0.00 177.43 177.08 1qry n GLU 73 N -4.12 0.00 -3.04 6.67 1.02 -0.96 -4.79 120.64 115.42 1qry n GLU 73 Ca -0.01 0.00 -0.18 0.00 -0.02 0.00 0.00 57.16 56.95 1qry n GLU 73 Cb 0.40 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 31.79 1qry n GLU 73 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1qry n LYS 74 N 0.00 -1.65 -3.87 3.49 3.00 -0.44 -4.78 118.16 113.91 1qry n LYS 74 Ca 0.00 0.06 -0.07 0.00 -0.00 0.00 0.00 58.31 58.29 1qry n LYS 74 Cb 0.00 -3.67 -0.02 0.00 0.00 0.00 0.00 35.03 31.34 1qry n LYS 74 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 1qry s GLY 75 N -2.21 0.00 -0.44 3.14 0.00 -1.26 -5.09 107.32 101.47 1qry s GLY 75 Ca 0.34 -0.40 0.05 0.00 0.00 0.00 0.00 44.72 44.72 1qry s GLY 75 CO 0.42 -0.15 0.51 -0.47 0.00 0.00 0.00 173.10 173.41 1qry s TYR 76 N -3.78 -0.47 -0.58 1.90 6.14 -1.26 -5.05 117.35 114.24 1qry s TYR 76 Ca 0.12 -1.08 0.05 0.00 0.64 0.00 0.00 57.07 56.80 1qry s TYR 76 Cb -0.06 -0.24 0.18 0.00 0.42 0.00 0.00 41.96 42.26 1qry s TYR 76 CO 0.08 -1.05 0.46 -1.91 0.64 0.00 0.00 175.55 173.77 1qry n GLU 77 N 3.40 1.24 0.00 4.97 2.13 -1.26 -5.01 120.64 126.12 1qry n GLU 77 Ca 0.19 -3.97 0.00 0.00 0.66 0.00 0.00 57.16 54.04 1qry n GLU 77 Cb 0.51 -2.01 0.00 0.00 0.27 0.00 0.00 31.44 30.21 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 2.15 -3.36 2.87 8.31 0.00 -1.26 -4.79 105.19 109.11 1qry n GLY 78 Ca 0.24 0.52 0.03 0.00 0.00 0.00 0.00 46.02 46.81 1qry n GLY 78 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1qry s HIS 79 N -1.39 -0.43 -2.00 1.61 -3.43 -1.26 -5.24 115.29 103.15 1qry s HIS 79 Ca 0.00 0.11 0.18 0.00 -0.80 0.00 0.00 55.06 54.55 1qry s HIS 79 Cb 0.00 0.08 1.07 0.00 -1.43 0.00 0.00 32.58 32.30 1qry s HIS 79 CO 0.00 -0.28 1.47 -2.30 -2.00 0.00 0.00 174.74 171.63