#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k8a s GLY 2 N 0.00 1.60 -0.14 -5.12 0.00 -1.26 -5.05 107.32 97.35 3k8a s GLY 2 Ca 0.00 -0.29 -0.16 0.00 0.00 0.00 0.00 44.72 44.27 3k8a s GLY 2 CO 0.00 0.21 0.39 -1.36 0.00 0.00 0.00 173.10 172.34 3k8a s PHE 3 N -3.13 3.48 0.01 1.90 0.40 -1.26 -5.03 117.98 114.35 3k8a s PHE 3 Ca 0.63 0.74 -0.30 0.00 -0.60 0.00 0.00 56.93 57.39 3k8a s PHE 3 Cb -0.16 -2.45 -0.07 0.00 0.51 0.00 0.00 43.02 40.85 3k8a s PHE 3 CO 0.55 0.19 1.74 0.99 0.70 0.00 0.00 175.22 179.39 3k8a s THR 4 N 0.60 3.26 -0.49 0.64 2.01 -1.26 -4.95 115.64 115.44 3k8a s THR 4 Ca 0.21 0.45 0.04 0.00 0.31 0.00 0.00 61.69 62.70 3k8a s THR 4 Cb -0.14 -3.29 0.17 0.00 0.01 0.00 0.00 72.50 69.25 3k8a s THR 4 CO 0.07 -0.03 0.39 -3.20 -0.69 0.00 0.00 174.62 171.16 3k8a n ASN 5 N 6.81 0.50 -4.07 3.53 2.85 -1.26 -5.10 115.26 118.52 3k8a n ASN 5 Ca 0.18 -2.61 -0.32 0.00 -0.11 0.00 0.00 54.58 51.71 3k8a n ASN 5 Cb 0.42 -0.61 -0.15 0.00 1.24 0.00 0.00 39.78 40.68 3k8a n ASN 5 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 3k8a s LEU 6 N -0.40 3.28 -0.18 1.20 1.43 -1.26 -4.08 118.68 118.67 3k8a s LEU 6 Ca 0.31 -1.32 -0.06 0.00 -1.03 0.00 0.00 54.13 52.02 3k8a s LEU 6 Cb 0.02 -1.52 -0.04 0.00 0.03 0.00 0.00 46.19 44.69 3k8a s LEU 6 CO -0.19 -0.18 0.04 -0.69 0.23 0.00 0.00 176.35 175.56 3k8a s VAL 7 N 1.14 4.53 -0.17 -1.59 1.01 -0.08 -4.98 120.40 120.27 3k8a s VAL 7 Ca -0.08 -0.12 -0.01 0.00 0.00 0.00 0.00 61.98 61.77 3k8a s VAL 7 Cb -0.19 -3.03 -0.00 0.00 0.00 0.00 0.00 36.38 33.15 3k8a s VAL 7 CO -0.06 0.46 -0.12 -0.44 0.00 0.00 0.00 175.10 174.94 3k8a s SER 8 N 0.43 3.87 -0.02 3.32 0.01 -1.26 -0.82 113.70 119.23 3k8a s SER 8 Ca 0.01 -0.43 0.01 0.00 1.31 0.00 0.00 55.95 56.85 3k8a s SER 8 Cb -0.13 -1.61 0.01 0.00 0.21 0.00 0.00 66.02 64.50 3k8a s SER 8 CO 0.01 0.07 -0.02 -0.22 0.41 0.00 0.00 173.24 173.49 3k8a s LEU 9 N 0.90 1.60 -0.16 2.44 2.96 0.04 -4.97 118.68 121.51 3k8a s LEU 9 Ca -0.03 -0.06 -0.08 0.00 -0.22 0.00 0.00 54.13 53.75 3k8a s LEU 9 Cb -0.15 -0.23 -0.04 0.00 0.50 0.00 0.00 46.19 46.27 3k8a s LEU 9 CO -0.01 -0.02 0.12 0.00 -1.32 0.00 0.00 176.35 175.12 3k8a s ALA 10 N 0.45 3.70 -0.24 5.97 0.00 -1.26 -0.11 121.76 130.27 3k8a s ALA 10 Ca -0.05 -0.68 -0.28 0.00 0.00 0.00 0.00 51.96 50.95 3k8a s ALA 10 Cb -0.08 -2.00 0.15 0.00 0.00 0.00 0.00 23.12 21.20 3k8a s ALA 10 CO -0.01 0.39 1.17 0.00 0.00 0.00 0.00 175.76 177.31 3k8a s ALA 11 N -0.31 -2.03 -0.03 0.00 0.00 -0.02 -4.74 121.76 114.62 3k8a s ALA 11 Ca 0.11 1.74 -0.28 0.00 0.00 0.00 0.00 51.96 53.52 3k8a s ALA 11 Cb -0.12 -1.22 -0.03 0.00 0.00 0.00 0.00 23.12 21.76 3k8a s ALA 11 CO 0.01 -0.25 0.91 -0.51 0.00 0.00 0.00 175.76 175.92 3k8a s LEU 12 N -0.68 4.34 -0.13 0.00 2.01 -0.82 -1.11 118.68 122.30 3k8a s LEU 12 Ca 0.03 1.52 -0.29 0.00 0.01 0.00 0.00 54.13 55.40 3k8a s LEU 12 Cb -0.02 -3.44 -0.03 0.00 0.01 0.00 0.00 46.19 42.71 3k8a s LEU 12 CO -0.05 -0.24 1.47 -0.63 1.01 0.00 0.00 176.35 177.91 3k8a s ILE 13 N 1.05 3.92 -0.13 -0.59 1.01 0.51 -1.68 121.20 125.29 3k8a s ILE 13 Ca 0.48 1.10 -0.17 0.00 0.00 0.00 0.00 60.65 62.06 3k8a s ILE 13 Cb -0.20 -3.74 -0.26 0.00 0.01 0.00 0.00 42.46 38.28 3k8a s ILE 13 CO 0.25 -0.13 0.49 -0.08 0.00 0.00 0.00 174.94 175.46 3k8a h GLU 14 N 9.06 0.19 -3.62 2.79 4.81 -0.92 -3.37 114.58 123.52 3k8a h GLU 14 Ca -0.33 -0.32 -0.17 0.00 -0.13 0.00 0.00 59.36 58.41 3k8a h GLU 14 Cb 1.14 0.12 -0.23 0.00 0.63 0.00 0.00 28.75 30.41 3k8a h GLU 14 CO 0.97 1.16 -0.59 0.21 -0.73 0.00 0.00 179.01 180.03 3k8a s LYS 15 N -2.45 0.30 -0.25 1.92 2.20 -1.19 -4.92 119.74 115.35 3k8a s LYS 15 Ca -0.22 -0.24 -0.02 0.00 -0.36 0.00 0.00 55.97 55.14 3k8a s LYS 15 Cb 0.04 0.12 0.08 0.00 -1.51 0.00 0.00 37.83 36.56 3k8a s LYS 15 CO 0.73 -0.06 0.05 0.00 -0.36 0.00 0.00 175.35 175.71 3k8a s ALA 16 N -0.84 1.34 0.50 3.13 0.00 -1.26 -0.90 121.76 123.73 3k8a s ALA 16 Ca -0.09 -1.17 -0.23 0.00 0.00 0.00 0.00 51.96 50.47 3k8a s ALA 16 Cb -0.05 -1.39 -0.06 0.00 0.00 0.00 0.00 23.12 21.61 3k8a s ALA 16 CO 0.00 -1.37 1.35 -0.06 0.00 0.00 0.00 175.76 175.68 3k8a s PHE 17 N 1.70 2.45 0.19 0.00 0.08 -0.86 -4.86 117.98 116.68 3k8a s PHE 17 Ca 0.03 1.37 -0.30 0.00 0.12 0.00 0.00 56.93 58.14 3k8a s PHE 17 Cb -0.17 -3.77 -0.17 0.00 -0.57 0.00 0.00 43.02 38.34 3k8a s PHE 17 CO -0.15 -2.66 0.77 -2.30 -0.10 0.00 0.00 175.22 170.78 3k8a n PRO 18 N -0.65 0.42 -1.47 0.24 -0.02 -1.26 -4.65 135.00 127.61 3k8a n PRO 18 Ca 0.08 0.15 -0.38 0.00 -2.02 0.00 0.00 63.50 61.33 3k8a n PRO 18 Cb 0.44 -1.35 0.05 0.00 -0.02 0.00 0.00 33.50 32.62 3k8a n PRO 18 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 3k8a n ILE 19 N 0.42 2.53 -4.32 4.25 -0.00 -1.26 -4.85 119.36 116.14 3k8a n ILE 19 Ca 0.16 -0.49 -0.18 0.00 -0.00 0.00 0.00 62.75 62.24 3k8a n ILE 19 Cb 0.24 -0.79 -0.06 0.00 -0.00 0.00 0.00 39.64 39.03 3k8a n ILE 19 CO 0.00 0.00 0.00 -1.14 -0.00 0.00 0.00 176.55 175.41 3k8a n ARG 20 N -0.36 0.48 -3.75 0.38 0.63 -0.41 -4.99 116.66 108.64 3k8a n ARG 20 Ca 0.12 -2.76 -0.12 0.00 -0.92 0.00 0.00 57.85 54.17 3k8a n ARG 20 Cb 0.48 1.88 -0.12 0.00 0.45 0.00 0.00 32.46 35.14 3k8a n ARG 20 CO 0.00 0.00 0.00 0.71 -2.51 0.00 0.00 177.63 175.83 3k8a s TYR 21 N -2.95 -0.33 0.78 -0.14 2.02 -1.26 -1.04 117.35 114.43 3k8a s TYR 21 Ca 0.25 0.78 -0.12 0.00 -0.37 0.00 0.00 57.07 57.61 3k8a s TYR 21 Cb 0.01 0.08 0.06 0.00 -0.40 0.00 0.00 41.96 41.72 3k8a s TYR 21 CO 0.17 -0.20 1.12 0.95 -1.57 0.00 0.00 175.55 176.02 3k8a s THR 22 N 0.77 2.93 0.49 -0.71 -4.23 -0.71 -4.83 115.64 109.35 3k8a s THR 22 Ca -0.05 0.34 0.29 0.00 -1.18 0.00 0.00 61.69 61.09 3k8a s THR 22 Cb -0.06 -2.74 0.48 0.00 1.34 0.00 0.00 72.50 71.52 3k8a s THR 22 CO -0.05 -0.36 1.82 -0.65 -0.54 0.00 0.00 174.62 174.84 3k8a h PRO 23 N -1.01 0.13 0.00 3.99 0.11 -2.01 0.84 132.00 134.05 3k8a h PRO 23 Ca -0.44 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3k8a h PRO 23 Cb 1.25 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3k8a h PRO 23 CO 0.49 0.09 0.00 0.00 -0.21 0.00 0.00 178.00 178.37 3k8a n ALA 24 N -2.66 2.46 0.00 -0.75 0.00 -1.26 -4.93 120.51 113.37 3k8a n ALA 24 Ca 0.24 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.53 3k8a n ALA 24 Cb 1.05 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 19.03 3k8a n ALA 24 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3k8a n GLY 25 N 1.03 2.54 3.55 0.00 0.00 0.29 -5.07 105.19 107.53 3k8a n GLY 25 Ca 0.16 -0.70 -0.55 0.00 0.00 0.00 0.00 46.02 44.93 3k8a n GLY 25 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3k8a n ILE 26 N 0.00 0.00 -2.54 -0.61 5.41 -1.26 -4.54 119.36 115.82 3k8a n ILE 26 Ca 0.00 -0.00 -0.42 0.00 1.00 0.00 0.00 62.75 63.33 3k8a n ILE 26 Cb 0.00 -0.45 -0.03 0.00 -0.71 0.00 0.00 39.64 38.44 3k8a n ILE 26 CO 0.00 0.00 0.00 -2.84 0.00 0.00 0.00 176.55 173.71 3k8a s PRO 27 N 0.35 4.52 -0.07 0.38 0.02 -1.26 -1.74 135.00 137.19 3k8a s PRO 27 Ca 0.88 1.64 0.05 0.00 0.02 0.00 0.00 61.00 63.58 3k8a s PRO 27 Cb -1.10 -3.37 -0.00 0.00 0.02 0.00 0.00 34.50 30.04 3k8a s PRO 27 CO 0.52 -0.11 -0.21 0.08 -0.33 0.00 0.00 177.00 176.95 3k8a s VAL 28 N 0.73 1.78 -0.26 3.83 1.01 -0.20 -1.22 120.40 126.07 3k8a s VAL 28 Ca 0.54 -0.89 -0.01 0.00 0.00 0.00 0.00 61.98 61.62 3k8a s VAL 28 Cb -0.27 -1.53 0.08 0.00 0.00 0.00 0.00 36.38 34.66 3k8a s VAL 28 CO 0.30 0.50 0.05 -0.22 0.00 0.00 0.00 175.10 175.73 3k8a s LEU 29 N 0.13 1.98 0.32 3.92 2.96 -0.17 -1.29 118.68 126.53 3k8a s LEU 29 Ca -0.09 -1.28 -0.25 0.00 -0.22 0.00 0.00 54.13 52.28 3k8a s LEU 29 Cb -0.15 -0.84 -0.10 0.00 0.50 0.00 0.00 46.19 45.61 3k8a s LEU 29 CO 0.05 -0.35 0.92 -1.81 -1.32 0.00 0.00 176.35 173.84 3k8a s ASP 30 N 1.65 7.30 0.01 3.68 1.01 -1.26 -0.72 116.67 128.34 3k8a s ASP 30 Ca 0.03 1.79 -0.16 0.00 0.71 0.00 0.00 52.55 54.92 3k8a s ASP 30 Cb -0.17 -2.56 0.03 0.00 1.01 0.00 0.00 42.92 41.22 3k8a s ASP 30 CO -0.16 -0.06 0.35 -0.63 0.21 0.00 0.00 175.17 174.88 3k8a s ILE 31 N -1.62 0.06 -0.14 0.77 1.01 0.72 -2.03 121.20 119.97 3k8a s ILE 31 Ca 0.50 -0.51 -0.00 0.00 0.00 0.00 0.00 60.65 60.63 3k8a s ILE 31 Cb -0.18 -0.81 -0.01 0.00 0.01 0.00 0.00 42.46 41.46 3k8a s ILE 31 CO 0.23 -0.28 -0.13 -0.63 0.00 0.00 0.00 174.94 174.13 3k8a s ILE 32 N -1.95 3.02 -0.18 2.92 1.01 -0.07 -0.31 121.20 125.62 3k8a s ILE 32 Ca -0.09 -0.66 -0.06 0.00 0.00 0.00 0.00 60.65 59.84 3k8a s ILE 32 Cb -0.03 -2.28 -0.03 0.00 0.01 0.00 0.00 42.46 40.13 3k8a s ILE 32 CO 0.01 0.51 0.03 -0.76 0.00 0.00 0.00 174.94 174.73 3k8a s LEU 33 N 0.54 3.57 -0.26 2.97 1.43 -0.02 -0.45 118.68 126.47 3k8a s LEU 33 Ca -0.08 -0.03 0.00 0.00 -1.03 0.00 0.00 54.13 52.99 3k8a s LEU 33 Cb -0.16 -1.90 0.04 0.00 0.03 0.00 0.00 46.19 44.21 3k8a s LEU 33 CO 0.04 0.14 -0.08 -0.75 0.23 0.00 0.00 176.35 175.93 3k8a s LYS 34 N 0.53 2.53 0.17 1.70 2.47 -0.68 -0.82 119.74 125.64 3k8a s LYS 34 Ca 0.01 -1.17 0.09 0.00 -1.56 0.00 0.00 55.97 53.35 3k8a s LYS 34 Cb -0.13 -2.94 -0.04 0.00 -1.46 0.00 0.00 37.83 33.26 3k8a s LYS 34 CO 0.02 -0.49 -0.14 -1.58 0.16 0.00 0.00 175.35 173.31 3k8a s HIS 35 N 1.22 2.54 -0.39 4.03 5.65 0.20 -1.95 115.29 126.59 3k8a s HIS 35 Ca -0.04 -0.26 0.01 0.00 0.25 0.00 0.00 55.06 55.02 3k8a s HIS 35 Cb -0.18 -1.27 0.19 0.00 -1.18 0.00 0.00 32.58 30.14 3k8a s HIS 35 CO -0.05 0.48 0.83 -2.00 -0.65 0.00 0.00 174.74 173.35 3k8a s GLU 36 N -2.64 0.59 0.21 2.88 2.56 -1.25 -1.70 118.70 119.35 3k8a s GLU 36 Ca 0.22 -0.31 0.01 0.00 0.00 0.00 0.00 54.97 54.89 3k8a s GLU 36 Cb -0.09 0.04 -0.05 0.00 2.00 0.00 0.00 34.13 36.03 3k8a s GLU 36 CO 0.13 -0.81 0.08 -1.54 -0.56 0.00 0.00 175.26 172.56 3k8a s SER 37 N 1.65 0.87 -0.34 -1.70 1.04 -0.66 -4.97 113.70 109.58 3k8a s SER 37 Ca 0.18 -1.32 -0.10 0.00 0.48 0.00 0.00 55.95 55.19 3k8a s SER 37 Cb 0.01 0.22 0.01 0.00 0.10 0.00 0.00 66.02 66.35 3k8a s SER 37 CO -0.10 -0.72 0.18 0.26 0.98 0.00 0.00 173.24 173.84 3k8a s TRP 38 N -3.86 3.21 0.26 5.02 0.52 -1.25 0.70 118.94 123.54 3k8a s TRP 38 Ca 0.34 -0.76 0.08 0.00 0.02 0.00 0.00 56.10 55.78 3k8a s TRP 38 Cb 0.07 -2.40 -0.04 0.00 -1.15 0.00 0.00 33.47 29.96 3k8a s TRP 38 CO 0.10 -0.55 0.12 -0.65 0.02 0.00 0.00 176.95 175.99 3k8a s GLN 39 N 1.58 2.68 -0.05 4.98 -1.52 -0.81 -4.82 119.66 121.70 3k8a s GLN 39 Ca 0.03 -1.20 -0.22 0.00 -1.95 0.00 0.00 55.36 52.03 3k8a s GLN 39 Cb -0.18 -2.40 -0.04 0.00 -0.22 0.00 0.00 33.01 30.16 3k8a s GLN 39 CO 0.06 0.39 0.64 -2.00 -0.25 0.00 0.00 175.29 174.13 3k8a s GLU 40 N -3.77 4.39 -0.14 2.91 2.56 -1.26 -0.63 118.70 122.76 3k8a s GLU 40 Ca 0.32 0.78 -0.04 0.00 0.00 0.00 0.00 54.97 56.03 3k8a s GLU 40 Cb -0.07 -3.41 0.07 0.00 2.00 0.00 0.00 34.13 32.71 3k8a s GLU 40 CO 0.23 0.18 0.22 -2.00 -0.56 0.00 0.00 175.26 173.33 3k8a s GLU 41 N 0.44 0.13 -1.52 4.30 2.12 0.28 -4.91 118.70 119.54 3k8a s GLU 41 Ca 0.34 0.53 -0.08 0.00 0.36 0.00 0.00 54.97 56.11 3k8a s GLU 41 Cb -0.18 -0.46 0.07 0.00 0.26 0.00 0.00 34.13 33.82 3k8a s GLU 41 CO 0.17 -0.40 0.65 -1.71 -0.54 0.00 0.00 175.26 173.43 3k8a n ASN 42 N 5.33 -2.10 0.00 -1.70 5.15 -1.26 -2.22 115.26 118.46 3k8a n ASN 42 Ca -0.05 -0.96 0.00 0.00 -0.60 0.00 0.00 54.58 52.97 3k8a n ASN 42 Cb 0.50 -3.17 0.00 0.00 -0.53 0.00 0.00 39.78 36.57 3k8a n ASN 42 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3k8a n GLY 43 N -1.72 3.08 3.46 8.20 0.00 -1.26 -5.05 105.19 111.90 3k8a n GLY 43 Ca -0.13 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.67 3k8a n GLY 43 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3k8a s GLN 44 N -0.83 1.67 0.17 1.61 0.00 -0.94 -5.14 119.66 116.20 3k8a s GLN 44 Ca 0.00 -1.93 -0.05 0.00 -0.00 0.00 0.00 55.36 53.38 3k8a s GLN 44 Cb 0.00 -0.91 -0.06 0.00 0.00 0.00 0.00 33.01 32.05 3k8a s GLN 44 CO 0.00 -0.18 0.41 -0.65 0.00 0.00 0.00 175.29 174.87 3k8a s GLN 45 N -3.88 3.64 -0.04 9.60 -0.21 -1.26 -0.56 119.66 126.96 3k8a s GLN 45 Ca 0.36 -0.04 0.01 0.00 0.02 0.00 0.00 55.36 55.72 3k8a s GLN 45 Cb 0.09 -2.80 0.02 0.00 1.00 0.00 0.00 33.01 31.32 3k8a s GLN 45 CO 0.16 0.43 -0.04 0.00 -2.12 0.00 0.00 175.29 173.72 3k8a s LEU 47 N 0.97 4.13 -0.17 0.00 2.96 -1.26 -1.93 118.68 123.38 3k8a s LEU 47 Ca -0.10 1.78 -0.03 0.00 -0.22 0.00 0.00 54.13 55.56 3k8a s LEU 47 Cb -0.14 -3.54 -0.02 0.00 0.50 0.00 0.00 46.19 42.99 3k8a s LEU 47 CO -0.00 -0.95 -0.06 -0.69 -1.32 0.00 0.00 176.35 173.33 3k8a s VAL 48 N 4.11 3.54 -0.06 1.68 1.01 0.22 -4.99 120.40 125.91 3k8a s VAL 48 Ca 0.64 -0.47 0.03 0.00 0.00 0.00 0.00 61.98 62.18 3k8a s VAL 48 Cb -0.25 -2.55 -0.03 0.00 0.00 0.00 0.00 36.38 33.55 3k8a s VAL 48 CO 0.23 0.48 -0.14 -1.10 0.00 0.00 0.00 175.10 174.57 3k8a s GLN 49 N 0.70 2.61 -0.26 2.72 -0.21 -1.26 -1.66 119.66 122.30 3k8a s GLN 49 Ca -0.03 -0.68 -0.12 0.00 0.02 0.00 0.00 55.36 54.55 3k8a s GLN 49 Cb -0.15 -2.42 0.10 0.00 1.00 0.00 0.00 33.01 31.54 3k8a s GLN 49 CO 0.02 0.59 0.60 -1.17 -2.12 0.00 0.00 175.29 173.20 3k8a s LEU 50 N -0.63 -0.85 -0.16 2.90 2.96 -0.69 -4.98 118.68 117.23 3k8a s LEU 50 Ca 0.09 1.37 0.01 0.00 -0.22 0.00 0.00 54.13 55.38 3k8a s LEU 50 Cb -0.11 2.06 0.02 0.00 0.50 0.00 0.00 46.19 48.65 3k8a s LEU 50 CO 0.01 -0.23 -0.18 -0.70 -1.32 0.00 0.00 176.35 173.93 3k8a s GLU 51 N 2.17 2.75 -0.03 1.98 2.12 -1.26 0.59 118.70 127.03 3k8a s GLU 51 Ca -0.07 -0.74 -0.01 0.00 0.36 0.00 0.00 54.97 54.51 3k8a s GLU 51 Cb -0.09 -2.39 0.03 0.00 0.26 0.00 0.00 34.13 31.95 3k8a s GLU 51 CO -0.18 -0.19 0.06 -1.50 -0.54 0.00 0.00 175.26 172.91 3k8a s ILE 52 N 1.28 -0.07 0.71 -3.70 2.07 -0.00 -4.96 121.20 116.52 3k8a s ILE 52 Ca 0.03 0.25 -0.14 0.00 -1.41 0.00 0.00 60.65 59.38 3k8a s ILE 52 Cb -0.13 -0.12 0.03 0.00 0.13 0.00 0.00 42.46 42.36 3k8a s ILE 52 CO -0.10 0.10 1.12 -2.16 -1.91 0.00 0.00 174.94 171.98 3k8a s PRO 53 N 1.29 2.50 0.17 3.50 0.04 -1.26 -0.84 135.00 140.40 3k8a s PRO 53 Ca -0.07 1.38 -0.16 0.00 0.04 0.00 0.00 61.00 62.19 3k8a s PRO 53 Cb -0.13 -1.91 0.03 0.00 0.04 0.00 0.00 34.50 32.53 3k8a s PRO 53 CO -0.04 -1.49 0.46 0.00 0.04 0.00 0.00 177.00 175.98 3k8a s ALA 54 N -2.46 -0.83 -0.01 8.56 0.00 0.57 -1.74 121.76 125.85 3k8a s ALA 54 Ca 0.66 -0.24 0.00 0.00 0.00 0.00 0.00 51.96 52.38 3k8a s ALA 54 Cb -0.21 0.81 0.02 0.00 0.00 0.00 0.00 23.12 23.74 3k8a s ALA 54 CO 0.46 -0.74 0.01 0.50 0.00 0.00 0.00 175.76 176.00 3k8a s ARG 55 N -3.86 0.00 0.02 0.00 3.52 -0.26 -0.20 118.95 118.17 3k8a s ARG 55 Ca 0.08 0.10 0.08 0.00 -0.13 0.00 0.00 55.73 55.86 3k8a s ARG 55 Cb 0.00 -0.16 -0.02 0.00 -1.56 0.00 0.00 34.95 33.21 3k8a s ARG 55 CO -0.05 -0.09 -0.24 0.42 -0.81 0.00 0.00 175.30 174.53 3k8a s ILE 56 N 0.59 1.92 0.35 4.11 1.01 0.10 -1.97 121.20 127.31 3k8a s ILE 56 Ca -0.05 -1.20 0.08 0.00 0.00 0.00 0.00 60.65 59.49 3k8a s ILE 56 Cb -0.07 -1.63 -0.05 0.00 0.01 0.00 0.00 42.46 40.72 3k8a s ILE 56 CO -0.02 0.39 0.11 -0.76 0.00 0.00 0.00 174.94 174.67 3k8a s LEU 57 N -0.96 3.17 0.00 2.97 1.02 -1.26 -1.00 118.68 122.63 3k8a s LEU 57 Ca 0.10 -0.87 0.00 0.00 0.02 0.00 0.00 54.13 53.38 3k8a s LEU 57 Cb -0.09 -1.60 0.00 0.00 0.02 0.00 0.00 46.19 44.51 3k8a s LEU 57 CO 0.01 -0.31 0.00 0.61 0.02 0.00 0.00 176.35 176.67 3k8a n GLY 58 N -1.11 2.44 0.37 -3.19 0.00 -0.36 -2.52 105.19 100.83 3k8a n GLY 58 Ca -0.03 -0.16 -0.13 0.00 0.00 0.00 0.00 46.02 45.70 3k8a n GLY 58 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3k8a h ARG 59 N 0.00 -0.52 0.00 1.61 2.43 -1.98 -0.39 114.38 115.53 3k8a h ARG 59 Ca 0.00 0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.20 3k8a h ARG 59 Cb 0.00 0.12 -0.00 0.00 -0.42 0.00 0.00 29.97 29.67 3k8a h ARG 59 CO 0.00 -0.35 -0.02 1.96 -1.51 0.00 0.00 179.97 180.05 3k8a h GLN 60 N -0.54 0.00 0.00 0.20 4.20 -1.97 -0.64 115.11 116.36 3k8a h GLN 60 Ca 0.05 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.75 3k8a h GLN 60 Cb 0.62 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.40 3k8a h GLN 60 CO -0.28 0.02 -0.03 0.00 -0.67 0.00 0.00 178.83 177.87 3k8a h ALA 61 N 1.98 1.10 0.04 3.87 0.00 -0.76 -1.97 119.26 123.52 3k8a h ALA 61 Ca -0.00 -0.03 -0.37 0.00 0.00 0.00 0.00 54.91 54.51 3k8a h ALA 61 Cb 0.05 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.78 3k8a h ALA 61 CO 0.00 0.04 -2.25 0.39 0.00 0.00 0.00 179.25 177.42 3k8a n GLU 62 N -3.27 0.69 0.27 0.00 1.02 -0.28 -3.31 120.64 115.76 3k8a n GLU 62 Ca -0.02 0.18 0.18 0.00 -0.02 0.00 0.00 57.16 57.49 3k8a n GLU 62 Cb 0.17 -1.60 0.86 0.00 -0.02 0.00 0.00 31.44 30.85 3k8a n GLU 62 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 3k8a h GLU 63 N 0.03 0.00 -0.01 3.49 5.08 -1.40 -3.19 114.58 118.57 3k8a h GLU 63 Ca -0.50 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.86 3k8a h GLU 63 Cb 1.99 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.24 3k8a h GLU 63 CO -0.01 0.00 -0.15 0.91 -1.00 0.00 0.00 179.01 178.77 3k8a n TRP 64 N -2.90 0.00 0.32 4.33 7.02 -0.75 -4.63 117.44 120.83 3k8a n TRP 64 Ca -0.01 0.00 0.12 0.00 -1.02 0.00 0.00 57.50 56.59 3k8a n TRP 64 Cb 0.18 0.00 0.53 0.00 -2.42 0.00 0.00 31.31 29.60 3k8a n TRP 64 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 3k8a n GLN 65 N -0.25 0.18 -0.04 -0.99 10.64 -1.21 -2.34 117.38 123.38 3k8a n GLN 65 Ca 0.03 0.49 0.10 0.00 -1.83 0.00 0.00 57.00 55.80 3k8a n GLN 65 Cb 0.16 -1.91 0.11 0.00 -0.86 0.00 0.00 30.24 27.74 3k8a n GLN 65 CO 0.00 0.00 0.00 0.98 -1.83 0.00 0.00 177.06 176.21 3k8a n TYR 66 N -2.26 0.09 -2.17 2.61 -0.00 -1.26 -4.72 117.16 109.45 3k8a n TYR 66 Ca 0.01 -0.06 -0.35 0.00 -0.00 0.00 0.00 57.90 57.50 3k8a n TYR 66 Cb 0.17 -0.00 0.02 0.00 -0.00 0.00 0.00 39.34 39.53 3k8a n TYR 66 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.86 177.40 3k8a n ARG 67 N 1.17 3.14 -0.12 2.98 1.74 -0.99 -4.78 116.66 119.81 3k8a n ARG 67 Ca 0.13 -3.95 0.05 0.00 -0.77 0.00 0.00 57.85 53.31 3k8a n ARG 67 Cb 0.52 -2.27 0.37 0.00 -1.02 0.00 0.00 32.46 30.05 3k8a n ARG 67 CO 0.00 0.00 0.00 0.37 -1.52 0.00 0.00 177.63 176.48 3k8a h GLN 68 N 2.93 0.69 -0.09 5.56 4.15 -1.84 -2.95 115.11 123.55 3k8a h GLN 68 Ca 0.47 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.84 3k8a h GLN 68 Cb 0.35 -0.16 0.00 0.00 0.21 0.00 0.00 27.48 27.88 3k8a h GLN 68 CO 1.21 0.46 0.00 0.41 -1.93 0.00 0.00 178.83 178.98 3k8a n GLY 69 N -1.46 -0.60 3.73 2.39 0.00 -1.26 -4.15 105.19 103.84 3k8a n GLY 69 Ca 0.07 -0.09 -0.23 0.00 0.00 0.00 0.00 46.02 45.78 3k8a n GLY 69 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3k8a s ASP 70 N -1.00 5.01 -0.23 1.61 1.01 -1.12 -4.89 116.67 117.06 3k8a s ASP 70 Ca 0.06 -0.45 -0.08 0.00 0.71 0.00 0.00 52.55 52.79 3k8a s ASP 70 Cb 0.03 -1.11 -0.04 0.00 1.01 0.00 0.00 42.92 42.81 3k8a s ASP 70 CO 0.04 -0.01 0.08 0.00 0.21 0.00 0.00 175.17 175.48 3k8a s ALA 72 N 1.15 1.60 0.08 0.00 0.00 -0.27 -1.96 121.76 122.36 3k8a s ALA 72 Ca 0.05 -1.15 -0.16 0.00 0.00 0.00 0.00 51.96 50.69 3k8a s ALA 72 Cb -0.14 -0.20 -0.06 0.00 0.00 0.00 0.00 23.12 22.71 3k8a s ALA 72 CO 0.04 0.30 0.52 0.99 0.00 0.00 0.00 175.76 177.61 3k8a s THR 73 N -1.17 4.85 0.00 0.00 2.01 -0.95 -0.84 115.64 119.55 3k8a s THR 73 Ca 0.04 0.98 0.01 0.00 0.31 0.00 0.00 61.69 63.03 3k8a s THR 73 Cb -0.10 -3.79 -0.01 0.00 0.01 0.00 0.00 72.50 68.61 3k8a s THR 73 CO 0.03 0.45 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.68 3k8a s VAL 74 N -1.23 0.37 -0.05 3.82 1.01 0.84 -1.46 120.40 123.70 3k8a s VAL 74 Ca 0.31 -0.30 0.02 0.00 0.00 0.00 0.00 61.98 62.01 3k8a s VAL 74 Cb -0.17 -0.34 0.01 0.00 0.00 0.00 0.00 36.38 35.88 3k8a s VAL 74 CO 0.18 0.04 -0.10 -0.70 0.00 0.00 0.00 175.10 174.52 3k8a s GLU 75 N -0.28 1.31 0.00 2.72 2.12 -0.66 -0.78 118.70 123.14 3k8a s GLU 75 Ca 0.00 -0.35 0.00 0.00 0.36 0.00 0.00 54.97 54.99 3k8a s GLU 75 Cb -0.03 -1.15 0.00 0.00 0.26 0.00 0.00 34.13 33.21 3k8a s GLU 75 CO -0.00 0.06 0.00 0.41 -0.54 0.00 0.00 175.26 175.19 3k8a n GLY 76 N 3.60 1.46 3.18 -1.50 0.00 -0.00 -0.88 105.19 111.04 3k8a n GLY 76 Ca -0.21 -0.28 -0.13 0.00 0.00 0.00 0.00 46.02 45.40 3k8a n GLY 76 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3k8a s PHE 77 N -0.91 1.01 0.04 1.61 -0.12 -1.10 -0.90 117.98 117.62 3k8a s PHE 77 Ca 0.00 -0.75 -0.12 0.00 -0.05 0.00 0.00 56.93 56.01 3k8a s PHE 77 Cb 0.00 -0.55 -0.06 0.00 -0.63 0.00 0.00 43.02 41.78 3k8a s PHE 77 CO 0.00 -0.04 0.40 -0.51 -0.05 0.00 0.00 175.22 175.01 3k8a s LEU 78 N -2.72 4.40 0.16 -1.99 1.43 -1.26 -1.33 118.68 117.36 3k8a s LEU 78 Ca 0.09 0.85 -0.22 0.00 -1.03 0.00 0.00 54.13 53.82 3k8a s LEU 78 Cb 0.00 -2.80 0.07 0.00 0.03 0.00 0.00 46.19 43.49 3k8a s LEU 78 CO -0.02 0.24 0.58 0.00 0.23 0.00 0.00 176.35 177.38 3k8a s ALA 79 N -1.26 -1.54 -0.40 4.21 0.00 -0.46 -4.95 121.76 117.36 3k8a s ALA 79 Ca 0.29 0.44 -0.20 0.00 0.00 0.00 0.00 51.96 52.49 3k8a s ALA 79 Cb -0.15 0.87 0.01 0.00 0.00 0.00 0.00 23.12 23.85 3k8a s ALA 79 CO 0.16 -0.76 0.58 -0.65 0.00 0.00 0.00 175.76 175.09 3k8a s GLN 80 N -3.75 3.42 -0.71 0.00 -0.21 -1.26 0.15 119.66 117.31 3k8a s GLN 80 Ca 0.01 -0.28 -0.33 0.00 0.02 0.00 0.00 55.36 54.78 3k8a s GLN 80 Cb -0.01 -3.89 -0.17 0.00 1.00 0.00 0.00 33.01 29.95 3k8a s GLN 80 CO -0.13 -0.84 2.46 1.17 -2.12 0.00 0.00 175.29 175.83 3k8a n LYS 81 N 6.01 0.37 -1.13 2.91 3.00 -1.10 -4.26 118.16 123.97 3k8a n LYS 81 Ca -0.03 0.05 0.00 0.00 -0.00 0.00 0.00 58.31 58.33 3k8a n LYS 81 Cb 0.48 -2.01 0.00 0.00 0.00 0.00 0.00 35.03 33.50 3k8a n LYS 81 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 3k8a n SER 82 N 10.81 -4.49 -4.51 3.14 7.64 -1.26 -4.59 113.62 120.36 3k8a n SER 82 Ca 0.55 0.51 -0.49 0.00 1.01 0.00 0.00 58.87 60.45 3k8a n SER 82 Cb 0.14 -2.44 -0.03 0.00 -1.01 0.00 0.00 64.21 60.87 3k8a n SER 82 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 3k8a n ARG 83 N 0.67 0.68 -2.73 1.43 3.00 -1.26 -2.45 116.66 115.99 3k8a n ARG 83 Ca 0.00 0.24 -0.07 0.00 -0.00 0.00 0.00 57.85 58.02 3k8a n ARG 83 Cb 0.00 -1.54 0.02 0.00 0.00 0.00 0.00 32.46 30.95 3k8a n ARG 83 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.63 175.50 3k8a n ARG 84 N 1.21 -2.31 -0.00 -0.14 3.00 -1.26 -4.98 116.66 112.18 3k8a n ARG 84 Ca 0.15 0.25 0.00 0.00 -0.00 0.00 0.00 57.85 58.26 3k8a n ARG 84 Cb 0.25 -3.52 -0.01 0.00 0.00 0.00 0.00 32.46 29.18 3k8a n ARG 84 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 3k8a n SER 85 N -0.29 4.78 -0.28 6.15 2.88 -1.03 -5.01 113.62 120.82 3k8a n SER 85 Ca -0.02 0.00 -0.03 0.00 -1.33 0.00 0.00 58.87 57.49 3k8a n SER 85 Cb 0.53 0.97 -0.01 0.00 -0.75 0.00 0.00 64.21 64.95 3k8a n SER 85 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 3k8a n LEU 86 N -1.60 0.32 -3.91 2.46 4.77 -1.26 -4.90 117.00 112.88 3k8a n LEU 86 Ca -0.00 0.07 -0.24 0.00 -0.03 0.00 0.00 56.01 55.81 3k8a n LEU 86 Cb 0.09 -1.88 -0.17 0.00 -2.33 0.00 0.00 43.42 39.14 3k8a n LEU 86 CO 0.02 -0.68 -0.43 -0.32 -1.33 0.00 0.00 177.39 174.65 3k8a s MET 87 N -1.70 1.23 0.43 3.23 1.75 -1.26 -5.13 119.30 117.84 3k8a s MET 87 Ca 0.00 -0.20 -0.08 0.00 -1.25 0.00 0.00 55.69 54.17 3k8a s MET 87 Cb 0.00 -1.23 -0.05 0.00 2.84 0.00 0.00 34.83 36.39 3k8a s MET 87 CO 0.00 -0.14 0.75 -1.25 -0.65 0.00 0.00 175.02 173.73 3k8a s PRO 88 N 1.24 3.66 0.03 4.11 0.05 -1.26 -2.71 135.00 140.12 3k8a s PRO 88 Ca -0.05 0.30 -0.04 0.00 0.05 0.00 0.00 61.00 61.26 3k8a s PRO 88 Cb -0.14 -2.41 -0.01 0.00 0.05 0.00 0.00 34.50 31.99 3k8a s PRO 88 CO -0.02 -0.08 0.06 1.41 0.05 0.00 0.00 177.00 178.42 3k8a s MET 89 N -4.21 0.51 -0.26 4.56 1.75 0.40 -4.60 119.30 117.46 3k8a s MET 89 Ca 0.49 -0.71 -0.12 0.00 -1.25 0.00 0.00 55.69 54.10 3k8a s MET 89 Cb -0.10 0.20 -0.05 0.00 2.84 0.00 0.00 34.83 37.72 3k8a s MET 89 CO 0.37 -0.12 0.23 -1.17 -0.65 0.00 0.00 175.02 173.69 3k8a s LEU 90 N -1.93 4.06 -0.61 4.11 2.96 -0.71 -1.35 118.68 125.22 3k8a s LEU 90 Ca -0.08 0.13 -0.15 0.00 -0.22 0.00 0.00 54.13 53.81 3k8a s LEU 90 Cb -0.03 -2.21 0.15 0.00 0.50 0.00 0.00 46.19 44.60 3k8a s LEU 90 CO -0.03 -0.04 0.56 -0.13 -1.32 0.00 0.00 176.35 175.39 3k8a s ARG 91 N 1.56 3.12 0.04 1.98 1.81 -0.44 -1.10 118.95 125.91 3k8a s ARG 91 Ca 0.10 -1.90 -0.30 0.00 -1.72 0.00 0.00 55.73 51.90 3k8a s ARG 91 Cb -0.15 -4.31 -0.06 0.00 -0.45 0.00 0.00 34.95 29.97 3k8a s ARG 91 CO 0.08 -1.31 1.41 0.42 -0.68 0.00 0.00 175.30 175.22 3k8a s ILE 92 N 1.23 3.56 -0.20 1.52 1.01 -0.83 -2.69 121.20 124.80 3k8a s ILE 92 Ca 0.07 1.01 0.16 0.00 0.00 0.00 0.00 60.65 61.89 3k8a s ILE 92 Cb -0.25 -3.65 -0.24 0.00 0.01 0.00 0.00 42.46 38.33 3k8a s ILE 92 CO -0.00 0.02 0.06 0.00 0.00 0.00 0.00 174.94 175.02 3k8a n GLN 93 N 4.98 0.69 -3.82 2.79 1.13 -0.06 -4.55 117.38 118.54 3k8a n GLN 93 Ca 0.13 0.01 -0.12 0.00 -1.94 0.00 0.00 57.00 55.08 3k8a n GLN 93 Cb 0.43 -1.53 -0.10 0.00 0.11 0.00 0.00 30.24 29.16 3k8a n GLN 93 CO 0.00 0.00 0.00 1.21 -1.44 0.00 0.00 177.06 176.83 3k8a s ASN 94 N -5.60 -0.09 -0.23 1.08 2.47 -0.95 -5.02 114.94 106.60 3k8a s ASN 94 Ca -0.12 0.01 -0.03 0.00 0.42 0.00 0.00 52.86 53.13 3k8a s ASN 94 Cb 0.06 0.29 0.12 0.00 -1.45 0.00 0.00 41.25 40.27 3k8a s ASN 94 CO 0.81 -0.34 0.32 -0.51 -3.72 0.00 0.00 177.10 173.65 3k8a s ILE 95 N -1.10 -0.49 0.43 -5.21 2.07 -1.26 -1.64 121.20 113.99 3k8a s ILE 95 Ca -0.12 -0.10 0.08 0.00 -1.41 0.00 0.00 60.65 59.10 3k8a s ILE 95 Cb -0.06 -0.77 0.00 0.00 0.13 0.00 0.00 42.46 41.77 3k8a s ILE 95 CO 0.02 -0.16 0.51 -0.54 -1.91 0.00 0.00 174.94 172.86 3k8a s LYS 96 N 2.46 2.70 -0.08 3.50 -0.14 -0.54 -4.98 119.74 122.67 3k8a s LYS 96 Ca 0.10 -1.36 -0.29 0.00 -1.36 0.00 0.00 55.97 53.06 3k8a s LYS 96 Cb -0.15 -2.62 -0.02 0.00 -1.68 0.00 0.00 37.83 33.36 3k8a s LYS 96 CO -0.15 -0.27 0.95 -1.21 -0.76 0.00 0.00 175.35 173.92 3k8a s GLU 97 N -4.28 4.45 -0.02 1.68 2.02 -1.26 -2.24 118.70 119.04 3k8a s GLU 97 Ca 0.53 1.31 -0.36 0.00 0.02 0.00 0.00 54.97 56.47 3k8a s GLU 97 Cb -0.07 -3.52 -0.14 0.00 0.10 0.00 0.00 34.13 30.50 3k8a s GLU 97 CO 0.31 -0.21 1.67 0.98 0.02 0.00 0.00 175.26 178.04 3k8a n TYR 98 N 4.62 2.12 -0.56 1.61 9.36 -0.83 -4.63 117.16 128.86 3k8a n TYR 98 Ca 0.07 0.29 0.00 0.00 3.32 0.00 0.00 57.90 61.57 3k8a n TYR 98 Cb 0.50 -2.53 0.00 0.00 -0.63 0.00 0.00 39.34 36.67 3k8a n TYR 98 CO 0.00 0.00 0.00 1.17 0.22 0.00 0.00 176.86 178.25 3k8a n LYS 99 N 4.76 0.04 0.00 2.98 4.81 -1.26 -4.93 118.16 124.55 3k8a n LYS 99 Ca 0.21 -0.15 0.00 0.00 -0.87 0.00 0.00 58.31 57.50 3k8a n LYS 99 Cb 0.24 -0.61 0.00 0.00 0.02 0.00 0.00 35.03 34.69 3k8a n LYS 99 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98