#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k8a n SER 2 N 0.00 0.73 -4.06 2.55 3.41 -1.26 -4.89 113.62 110.09 1k8a n SER 2 Ca 0.00 0.25 -0.10 0.00 -0.26 0.00 0.00 58.87 58.76 1k8a n SER 2 Cb 0.00 -0.13 -0.07 0.00 -0.26 0.00 0.00 64.21 63.75 1k8a n SER 2 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1k8a s SER 3 N -4.28 0.00 -0.24 4.04 1.04 -1.26 -5.10 113.70 107.91 1k8a s SER 3 Ca 0.08 -1.08 0.17 0.00 0.48 0.00 0.00 55.95 55.60 1k8a s SER 3 Cb 0.13 0.50 0.48 0.00 0.10 0.00 0.00 66.02 67.23 1k8a s SER 3 CO 0.68 -1.01 1.15 -3.20 0.98 0.00 0.00 173.24 171.84 1k8a n ASN 4 N -0.33 2.67 -4.85 7.02 5.15 -1.26 -4.96 115.26 118.70 1k8a n ASN 4 Ca -0.01 -2.73 -0.29 0.00 -0.60 0.00 0.00 54.58 50.95 1k8a n ASN 4 Cb 0.63 -0.42 0.10 0.00 -0.53 0.00 0.00 39.78 39.57 1k8a n ASN 4 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 1k8a s GLY 5 N -3.53 1.59 0.45 8.20 0.00 -1.26 -4.96 107.32 107.81 1k8a s GLY 5 Ca 0.37 -0.55 0.16 0.00 0.00 0.00 0.00 44.72 44.69 1k8a s GLY 5 CO -0.03 -0.05 2.00 -2.55 0.00 0.00 0.00 173.10 172.46 1k8a h PRO 6 N -1.17 0.00 -0.48 2.90 0.11 -2.05 -2.82 132.00 128.49 1k8a h PRO 6 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1k8a h PRO 6 Cb 1.32 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.43 1k8a h PRO 6 CO 0.64 0.18 0.00 1.28 -0.21 0.00 0.00 178.00 179.89 1k8a n LEU 7 N -4.22 2.54 -4.72 2.35 4.77 -1.26 -4.62 117.00 111.84 1k8a n LEU 7 Ca -0.02 -1.27 -0.42 0.00 -0.03 0.00 0.00 56.01 54.26 1k8a n LEU 7 Cb 0.25 -0.32 -0.03 0.00 -2.33 0.00 0.00 43.42 40.99 1k8a n LEU 7 CO 0.36 0.62 1.30 -0.70 -1.33 0.00 0.00 177.39 177.63 1k8a s GLU 8 N -1.41 4.17 -1.54 3.23 -6.30 -1.07 -2.43 118.70 113.36 1k8a s GLU 8 Ca 0.31 2.47 -0.05 0.00 -2.50 0.00 0.00 54.97 55.21 1k8a s GLU 8 Cb 0.17 -3.13 0.01 0.00 0.00 0.00 0.00 34.13 31.17 1k8a s GLU 8 CO 0.21 -0.68 0.64 0.41 0.02 0.00 0.00 175.26 175.86 1k8a n GLY 9 N 3.86 -0.51 0.31 -1.50 0.00 -1.26 -4.89 105.19 101.20 1k8a n GLY 9 Ca 0.15 0.13 0.03 0.00 0.00 0.00 0.00 46.02 46.33 1k8a n GLY 9 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1k8a n THR 10 N -4.55 0.68 -0.28 2.61 -2.24 -1.02 -4.74 114.28 104.75 1k8a n THR 10 Ca -0.11 -0.84 0.08 0.00 -2.27 0.00 0.00 64.05 60.92 1k8a n THR 10 Cb 0.62 0.70 0.21 0.00 -2.10 0.00 0.00 70.33 69.76 1k8a n THR 10 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 1k8a h ARG 11 N 1.11 0.15 0.00 -0.78 2.43 -1.90 -1.92 114.38 113.47 1k8a h ARG 11 Ca 0.00 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1k8a h ARG 11 Cb 0.50 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.02 1k8a h ARG 11 CO 0.00 0.10 0.00 0.41 -1.51 0.00 0.00 179.97 178.97 1k8a n GLY 12 N -1.40 -1.41 0.38 2.80 0.00 -1.26 -3.65 105.19 100.64 1k8a n GLY 12 Ca 0.17 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.35 1k8a n GLY 12 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1k8a h LYS 13 N 0.00 0.00 -0.30 1.61 2.10 -1.88 -0.85 116.57 117.25 1k8a h LYS 13 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1k8a h LYS 13 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 1k8a h LYS 13 CO 0.00 0.00 0.00 1.28 -2.00 0.00 0.00 179.45 178.73 1k8a n LEU 14 N -3.15 4.06 -4.39 7.07 4.77 -0.73 -4.85 117.00 119.79 1k8a n LEU 14 Ca 0.05 -2.95 -0.26 0.00 -0.03 0.00 0.00 56.01 52.82 1k8a n LEU 14 Cb 0.70 -0.55 -0.12 0.00 -2.33 0.00 0.00 43.42 41.13 1k8a n LEU 14 CO 0.17 0.67 -0.52 -0.75 -1.33 0.00 0.00 177.39 175.64 1k8a s LYS 15 N -2.72 1.43 0.18 3.23 2.20 -0.32 -4.68 119.74 119.05 1k8a s LYS 15 Ca 0.43 -1.47 0.03 0.00 -0.36 0.00 0.00 55.97 54.61 1k8a s LYS 15 Cb 0.34 -1.69 -0.03 0.00 -1.51 0.00 0.00 37.83 34.93 1k8a s LYS 15 CO 0.10 0.37 0.30 -0.80 -0.36 0.00 0.00 175.35 174.96 1k8a s ASN 16 N -2.59 6.29 0.36 1.43 0.02 -1.26 -4.89 114.94 114.30 1k8a s ASN 16 Ca 0.18 0.12 -0.25 0.00 -1.02 0.00 0.00 52.86 51.89 1k8a s ASN 16 Cb -0.08 -1.87 -0.09 0.00 0.02 0.00 0.00 41.25 39.24 1k8a s ASN 16 CO 0.08 0.01 1.05 -0.54 0.02 0.00 0.00 177.10 177.72 1k8a s LYS 17 N -3.49 4.31 0.35 -0.60 3.01 -1.26 -4.89 119.74 117.17 1k8a s LYS 17 Ca 0.34 1.55 0.22 0.00 -1.01 0.00 0.00 55.97 57.08 1k8a s LYS 17 Cb -0.10 -2.71 1.24 0.00 -1.01 0.00 0.00 37.83 35.24 1k8a s LYS 17 CO 0.28 -0.02 1.38 -2.30 0.51 0.00 0.00 175.35 175.21 1k8a n PRO 18 N 0.27 -0.04 0.17 -1.68 -0.02 -1.26 -0.50 135.00 131.94 1k8a n PRO 18 Ca 0.03 1.17 0.06 0.00 -2.02 0.00 0.00 63.50 62.74 1k8a n PRO 18 Cb 0.49 -2.18 0.09 0.00 -0.02 0.00 0.00 33.50 31.88 1k8a n PRO 18 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1k8a h ARG 19 N 0.00 0.00 -0.53 -0.52 3.08 -2.05 -3.11 114.38 111.25 1k8a h ARG 19 Ca 0.76 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.81 1k8a h ARG 19 Cb 2.18 0.00 0.00 0.00 0.08 0.00 0.00 29.97 32.23 1k8a h ARG 19 CO -0.57 0.34 0.00 -0.25 -1.07 0.00 0.00 179.97 178.42 1k8a n ASP 20 N -3.20 2.86 -4.76 7.04 8.00 0.35 -4.92 116.55 121.92 1k8a n ASP 20 Ca 0.02 -2.13 -0.36 0.00 0.71 0.00 0.00 54.79 53.04 1k8a n ASP 20 Cb 0.66 -0.38 0.02 0.00 -0.02 0.00 0.00 41.12 41.39 1k8a n ASP 20 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 1k8a s ARG 21 N -1.53 3.22 0.00 -1.24 3.00 -1.16 -4.86 118.95 116.38 1k8a s ARG 21 Ca 0.32 1.74 0.00 0.00 -1.00 0.00 0.00 55.73 56.79 1k8a s ARG 21 Cb 0.19 -2.02 0.00 0.00 0.00 0.00 0.00 34.95 33.12 1k8a s ARG 21 CO 0.19 -0.99 0.00 0.41 0.00 0.00 0.00 175.30 174.92 1k8a n GLY 22 N 0.36 0.60 2.12 8.12 0.00 -1.26 -4.99 105.19 110.14 1k8a n GLY 22 Ca 0.12 -1.67 -0.34 0.00 0.00 0.00 0.00 46.02 44.13 1k8a n GLY 22 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1k8a n THR 23 N 0.76 0.43 -2.63 2.61 -1.04 -1.26 -4.89 114.28 108.27 1k8a n THR 23 Ca 0.00 -0.11 -0.25 0.00 -2.04 0.00 0.00 64.05 61.65 1k8a n THR 23 Cb 0.00 0.00 0.02 0.00 -1.82 0.00 0.00 70.33 68.53 1k8a n THR 23 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 1k8a s SER 24 N -0.22 5.76 0.22 8.00 0.01 -1.26 -5.03 113.70 121.18 1k8a s SER 24 Ca 0.50 0.59 -0.31 0.00 1.31 0.00 0.00 55.95 58.04 1k8a s SER 24 Cb -0.70 -1.71 -0.10 0.00 0.21 0.00 0.00 66.02 63.71 1k8a s SER 24 CO 0.35 -0.88 1.54 -2.84 0.41 0.00 0.00 173.24 171.81 1k8a s PRO 25 N -4.81 4.21 0.37 12.44 0.02 -1.26 -4.94 135.00 141.04 1k8a s PRO 25 Ca 0.51 2.39 0.08 0.00 0.02 0.00 0.00 61.00 64.00 1k8a s PRO 25 Cb -0.10 -3.11 0.72 0.00 0.02 0.00 0.00 34.50 32.03 1k8a s PRO 25 CO 0.43 -0.55 1.90 -1.35 -0.33 0.00 0.00 177.00 177.09 1k8a h PRO 26 N 5.80 0.32 -0.95 5.54 0.11 -2.00 -3.27 132.00 137.56 1k8a h PRO 26 Ca -0.45 -0.07 0.15 0.00 0.11 0.00 0.00 66.00 65.74 1k8a h PRO 26 Cb 1.21 -0.04 -0.16 0.00 0.11 0.00 0.00 31.00 32.12 1k8a h PRO 26 CO 0.84 0.44 -0.37 0.37 -0.21 0.00 0.00 178.00 179.07 1k8a h GLN 27 N 0.31 -0.02 0.00 1.05 5.75 -1.99 0.23 115.11 120.43 1k8a h GLN 27 Ca 0.06 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.56 1k8a h GLN 27 Cb 0.37 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.93 1k8a h GLN 27 CO 0.02 -0.01 0.00 2.89 -2.65 0.00 0.00 178.83 179.08 1k8a n ARG 28 N -5.48 0.01 0.00 1.69 1.85 -1.23 -2.26 116.66 111.24 1k8a n ARG 28 Ca 0.10 0.11 0.13 0.00 -1.00 0.00 0.00 57.85 57.18 1k8a n ARG 28 Cb 0.40 -1.51 0.35 0.00 -1.05 0.00 0.00 32.46 30.65 1k8a n ARG 28 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1k8a n ALA 29 N -1.51 3.26 0.36 2.89 0.00 0.77 -3.36 120.51 122.91 1k8a n ALA 29 Ca 0.06 -0.34 0.04 0.00 0.00 0.00 0.00 53.44 53.19 1k8a n ALA 29 Cb 0.27 -1.17 -0.03 0.00 0.00 0.00 0.00 19.45 18.53 1k8a n ALA 29 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1k8a n VAL 30 N -1.21 0.00 -1.44 0.00 0.31 -0.96 -4.34 118.33 110.70 1k8a n VAL 30 Ca 0.08 -0.36 -0.43 0.00 -0.01 0.00 0.00 64.34 63.62 1k8a n VAL 30 Cb 0.33 1.04 -0.00 0.00 -0.91 0.00 0.00 33.84 34.30 1k8a n VAL 30 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 1k8a n GLU 31 N -0.81 0.48 -4.77 5.55 4.07 -1.02 -4.96 120.64 119.18 1k8a n GLU 31 Ca 0.02 0.17 -0.33 0.00 -0.06 0.00 0.00 57.16 56.97 1k8a n GLU 31 Cb 0.14 -1.39 -0.14 0.00 -0.06 0.00 0.00 31.44 30.00 1k8a n GLU 31 CO 0.00 0.00 0.00 -1.21 -0.06 0.00 0.00 177.13 175.86 1k8a s GLU 32 N -1.40 3.10 0.15 5.31 0.41 -1.26 -4.81 118.70 120.19 1k8a s GLU 32 Ca 0.62 -0.66 0.10 0.00 -0.41 0.00 0.00 54.97 54.62 1k8a s GLU 32 Cb -0.67 -2.58 -0.04 0.00 -1.78 0.00 0.00 34.13 29.06 1k8a s GLU 32 CO 0.59 0.37 -0.20 -0.06 -0.49 0.00 0.00 175.26 175.47 1k8a s PHE 33 N -0.06 2.44 0.07 1.61 0.40 -1.26 -5.14 117.98 116.04 1k8a s PHE 33 Ca -0.02 -0.31 0.01 0.00 -0.60 0.00 0.00 56.93 56.02 1k8a s PHE 33 Cb -0.14 -1.27 -0.04 0.00 0.51 0.00 0.00 43.02 42.08 1k8a s PHE 33 CO 0.04 0.42 0.17 -0.51 0.70 0.00 0.00 175.22 176.04 1k8a s ASP 34 N -2.34 6.07 0.15 1.36 1.01 -1.26 -5.05 116.67 116.62 1k8a s ASP 34 Ca 0.19 0.16 -0.33 0.00 0.71 0.00 0.00 52.55 53.29 1k8a s ASP 34 Cb -0.10 -1.79 -0.12 0.00 1.01 0.00 0.00 42.92 41.92 1k8a s ASP 34 CO 0.10 0.16 1.72 0.47 0.21 0.00 0.00 175.17 177.83 1k8a n ASP 35 N 0.28 3.69 0.00 0.27 8.00 -1.26 -1.53 116.55 125.99 1k8a n ASP 35 Ca -0.06 1.04 0.00 0.00 0.71 0.00 0.00 54.79 56.48 1k8a n ASP 35 Cb 0.51 -1.51 0.00 0.00 -0.02 0.00 0.00 41.12 40.11 1k8a n ASP 35 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1k8a n GLY 36 N 3.90 2.63 3.77 0.44 0.00 0.25 -4.97 105.19 111.21 1k8a n GLY 36 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 1k8a n GLY 36 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1k8a s GLU 37 N -0.40 4.14 -0.01 1.61 2.02 -0.59 -4.69 118.70 120.78 1k8a s GLU 37 Ca 0.00 2.09 -0.23 0.00 0.02 0.00 0.00 54.97 56.85 1k8a s GLU 37 Cb 0.00 -2.86 -0.05 0.00 0.10 0.00 0.00 34.13 31.32 1k8a s GLU 37 CO 0.00 -0.32 0.67 0.15 0.02 0.00 0.00 175.26 175.78 1k8a s LYS 38 N -2.07 4.41 -0.01 1.61 -0.14 -1.26 -1.67 119.74 120.61 1k8a s LYS 38 Ca 0.54 0.86 0.02 0.00 -1.36 0.00 0.00 55.97 56.03 1k8a s LYS 38 Cb -0.37 -3.38 -0.00 0.00 -1.68 0.00 0.00 37.83 32.40 1k8a s LYS 38 CO 0.47 0.24 -0.06 0.14 -0.76 0.00 0.00 175.35 175.39 1k8a s VAL 39 N 0.18 0.47 -0.09 3.17 -7.23 -0.80 -1.66 120.40 114.44 1k8a s VAL 39 Ca 0.35 -0.24 -0.21 0.00 -1.81 0.00 0.00 61.98 60.07 1k8a s VAL 39 Cb -0.19 -0.41 -0.04 0.00 0.56 0.00 0.00 36.38 36.31 1k8a s VAL 39 CO 0.19 0.14 0.59 -1.00 -0.31 0.00 0.00 175.10 174.71 1k8a s HIS 40 N -0.06 3.55 -0.33 2.82 3.76 0.17 -1.51 115.29 123.69 1k8a s HIS 40 Ca 0.01 1.08 -0.19 0.00 -0.15 0.00 0.00 55.06 55.81 1k8a s HIS 40 Cb -0.03 -2.68 -0.01 0.00 1.11 0.00 0.00 32.58 30.97 1k8a s HIS 40 CO -0.00 0.13 0.56 -0.51 -0.85 0.00 0.00 174.74 174.08 1k8a s LEU 41 N 0.68 4.25 -0.20 0.89 1.02 -0.02 -2.03 118.68 123.28 1k8a s LEU 41 Ca 0.32 0.16 -0.04 0.00 0.02 0.00 0.00 54.13 54.59 1k8a s LEU 41 Cb -0.17 -2.68 0.10 0.00 0.02 0.00 0.00 46.19 43.46 1k8a s LEU 41 CO 0.14 -0.49 0.32 -0.75 0.02 0.00 0.00 176.35 175.60 1k8a s LYS 42 N 2.50 0.25 0.40 1.70 2.47 -0.81 -0.71 119.74 125.56 1k8a s LYS 42 Ca 0.22 0.61 -0.26 0.00 -1.56 0.00 0.00 55.97 54.97 1k8a s LYS 42 Cb -0.15 -0.38 -0.09 0.00 -1.46 0.00 0.00 37.83 35.75 1k8a s LYS 42 CO 0.13 -0.48 1.34 0.42 0.16 0.00 0.00 175.35 176.92 1k8a s ILE 43 N 2.48 2.47 -0.36 5.43 1.01 -1.26 -4.47 121.20 126.49 1k8a s ILE 43 Ca 0.06 0.43 -0.16 0.00 0.00 0.00 0.00 60.65 60.97 1k8a s ILE 43 Cb -0.14 -3.25 -0.00 0.00 0.01 0.00 0.00 42.46 39.07 1k8a s ILE 43 CO -0.12 0.07 0.40 -0.62 0.00 0.00 0.00 174.94 174.66 1k8a s ASP 44 N -0.61 6.20 0.39 3.58 -1.08 -1.26 -4.94 116.67 118.94 1k8a s ASP 44 Ca 0.57 -0.30 0.16 0.00 -0.52 0.00 0.00 52.55 52.46 1k8a s ASP 44 Cb -0.40 -2.21 1.03 0.00 -1.46 0.00 0.00 42.92 39.88 1k8a s ASP 44 CO 0.52 -0.41 1.80 -0.65 0.52 0.00 0.00 175.17 176.95 1k8a h PRO 45 N 8.52 0.45 0.00 4.34 0.11 -1.89 -0.73 132.00 142.80 1k8a h PRO 45 Ca -0.29 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.79 1k8a h PRO 45 Cb 1.13 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.14 1k8a h PRO 45 CO 0.73 0.30 -0.03 0.77 -0.21 0.00 0.00 178.00 179.56 1k8a h SER 46 N 0.47 0.00 -3.31 -2.05 0.02 -1.91 -3.41 113.55 103.35 1k8a h SER 46 Ca 0.55 0.00 -0.73 0.00 -0.84 0.00 0.00 61.79 60.77 1k8a h SER 46 Cb 1.28 0.00 -0.28 0.00 0.14 0.00 0.00 62.40 63.53 1k8a h SER 46 CO -0.26 0.03 -0.39 -0.69 -1.14 0.00 0.00 176.83 174.38 1k8a s VAL 47 N -3.58 4.36 0.14 2.27 1.01 -0.28 -4.79 120.40 119.53 1k8a s VAL 47 Ca 0.02 -1.64 -0.24 0.00 0.00 0.00 0.00 61.98 60.11 1k8a s VAL 47 Cb 0.08 -3.81 -0.00 0.00 0.00 0.00 0.00 36.38 32.65 1k8a s VAL 47 CO 0.58 -0.72 1.62 -0.65 0.00 0.00 0.00 175.10 175.93 1k8a h PRO 48 N 8.50 -0.32 0.00 2.72 0.11 -1.81 -3.43 132.00 137.78 1k8a h PRO 48 Ca -0.23 0.02 -0.35 0.00 0.11 0.00 0.00 66.00 65.55 1k8a h PRO 48 Cb 1.08 0.07 0.11 0.00 0.11 0.00 0.00 31.00 32.37 1k8a h PRO 48 CO 0.86 -0.21 0.24 0.09 -0.21 0.00 0.00 178.00 178.77 1k8a n ASN 49 N -5.39 0.45 -0.80 -2.05 3.02 -1.26 -4.35 115.26 104.88 1k8a n ASN 49 Ca -0.02 -1.58 -0.10 0.00 -0.03 0.00 0.00 54.58 52.84 1k8a n ASN 49 Cb 0.31 -0.70 -0.04 0.00 -0.61 0.00 0.00 39.78 38.73 1k8a n ASN 49 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1k8a n GLY 50 N -1.61 1.02 3.82 7.41 0.00 -1.26 -4.89 105.19 109.67 1k8a n GLY 50 Ca 0.13 -0.03 -0.31 0.00 0.00 0.00 0.00 46.02 45.82 1k8a n GLY 50 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1k8a s ARG 51 N -2.84 2.82 0.28 1.61 0.52 -1.26 -2.26 118.95 117.82 1k8a s ARG 51 Ca 0.00 0.90 0.04 0.00 -0.52 0.00 0.00 55.73 56.15 1k8a s ARG 51 Cb 0.00 -1.98 -0.06 0.00 0.52 0.00 0.00 34.95 33.43 1k8a s ARG 51 CO 0.00 -1.17 0.00 -0.59 0.02 0.00 0.00 175.30 173.56 1k8a s PHE 52 N -3.07 1.82 0.03 -0.53 -0.12 -1.26 -4.81 117.98 110.04 1k8a s PHE 52 Ca 0.58 -0.87 -0.30 0.00 -0.05 0.00 0.00 56.93 56.29 1k8a s PHE 52 Cb -0.14 -1.10 -0.08 0.00 -0.63 0.00 0.00 43.02 41.07 1k8a s PHE 52 CO 0.55 0.07 1.85 -1.58 -0.05 0.00 0.00 175.22 176.06 1k8a s HIS 53 N -3.26 1.63 0.35 3.49 5.65 -1.26 -4.81 115.29 117.08 1k8a s HIS 53 Ca 0.32 -0.20 0.29 0.00 0.25 0.00 0.00 55.06 55.72 1k8a s HIS 53 Cb 0.06 -4.14 1.15 0.00 -1.18 0.00 0.00 32.58 28.47 1k8a s HIS 53 CO 0.12 -4.95 1.12 -2.30 -0.65 0.00 0.00 174.74 168.08 1k8a n PRO 54 N 7.09 -0.01 0.34 2.88 -0.02 -1.26 -0.08 135.00 143.93 1k8a n PRO 54 Ca 0.19 0.85 0.21 0.00 -2.02 0.00 0.00 63.50 62.73 1k8a n PRO 54 Cb 0.41 -1.79 1.14 0.00 -0.02 0.00 0.00 33.50 33.25 1k8a n PRO 54 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1k8a h ARG 55 N 0.00 0.00 -0.02 -0.52 3.08 -1.88 -1.79 114.38 113.25 1k8a h ARG 55 Ca 0.65 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.70 1k8a h ARG 55 Cb 2.33 0.00 0.00 0.00 0.08 0.00 0.00 29.97 32.38 1k8a h ARG 55 CO -0.20 0.00 -0.08 1.19 -1.07 0.00 0.00 179.97 179.81 1k8a n PHE 56 N -3.04 0.00 -1.67 3.04 3.72 0.88 -4.91 117.46 115.48 1k8a n PHE 56 Ca -0.03 0.00 -0.45 0.00 -0.05 0.00 0.00 57.45 56.92 1k8a n PHE 56 Cb 0.14 -0.01 -0.03 0.00 -0.94 0.00 0.00 39.48 38.63 1k8a n PHE 56 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1k8a n ASP 57 N 0.65 2.87 0.00 4.37 2.03 -0.68 -1.26 116.55 124.53 1k8a n ASP 57 Ca 0.15 1.12 0.00 0.00 0.52 0.00 0.00 54.79 56.58 1k8a n ASP 57 Cb 0.49 -1.42 0.00 0.00 -0.72 0.00 0.00 41.12 39.46 1k8a n ASP 57 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1k8a n GLY 58 N 2.61 2.35 3.76 0.27 0.00 0.12 -5.03 105.19 109.27 1k8a n GLY 58 Ca 0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 1k8a n GLY 58 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1k8a s GLN 59 N -0.98 2.38 -0.27 1.61 -1.52 -0.39 -4.79 119.66 115.71 1k8a s GLN 59 Ca 0.00 1.28 -0.02 0.00 -1.95 0.00 0.00 55.36 54.67 1k8a s GLN 59 Cb 0.00 -1.90 0.09 0.00 -0.22 0.00 0.00 33.01 30.97 1k8a s GLN 59 CO 0.00 -1.56 0.08 0.99 -0.25 0.00 0.00 175.29 174.55 1k8a s THR 60 N -2.66 0.54 0.00 -0.19 2.01 -1.26 -0.84 115.64 113.23 1k8a s THR 60 Ca 0.64 -0.96 0.00 0.00 0.31 0.00 0.00 61.69 61.67 1k8a s THR 60 Cb -0.19 -1.29 0.00 0.00 0.01 0.00 0.00 72.50 71.03 1k8a s THR 60 CO 0.51 -0.53 0.00 0.61 -0.69 0.00 0.00 174.62 174.52 1k8a n GLY 61 N 5.01 4.02 3.02 4.40 0.00 -0.57 -4.86 105.19 116.21 1k8a n GLY 61 Ca -0.05 -2.08 -0.31 0.00 0.00 0.00 0.00 46.02 43.58 1k8a n GLY 61 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1k8a s THR 62 N 0.99 1.66 0.19 2.61 2.01 -0.30 -1.91 115.64 120.89 1k8a s THR 62 Ca 0.00 -0.86 -0.33 0.00 0.31 0.00 0.00 61.69 60.81 1k8a s THR 62 Cb 0.00 -1.64 -0.13 0.00 0.01 0.00 0.00 72.50 70.74 1k8a s THR 62 CO 0.00 0.32 1.67 0.52 -0.69 0.00 0.00 174.62 176.44 1k8a n VAL 63 N 4.71 0.01 -3.13 3.82 0.31 -0.67 -1.95 118.33 121.42 1k8a n VAL 63 Ca -0.16 -0.00 -0.22 0.00 -0.01 0.00 0.00 64.34 63.95 1k8a n VAL 63 Cb 0.48 -1.81 -0.05 0.00 -0.91 0.00 0.00 33.84 31.55 1k8a n VAL 63 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1k8a n GLU 64 N 3.80 0.71 0.00 5.55 -0.58 -0.47 0.87 120.64 130.51 1k8a n GLU 64 Ca 0.16 -3.01 0.00 0.00 -0.42 0.00 0.00 57.16 53.89 1k8a n GLU 64 Cb 0.32 -1.26 0.00 0.00 -0.57 0.00 0.00 31.44 29.94 1k8a n GLU 64 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1k8a n GLY 65 N 1.48 -0.14 3.25 0.62 0.00 -1.26 -4.73 105.19 104.40 1k8a n GLY 65 Ca 0.20 -1.77 -0.14 0.00 0.00 0.00 0.00 46.02 44.31 1k8a n GLY 65 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1k8a s LYS 66 N -2.08 1.29 -0.30 1.61 -2.85 -1.26 -1.42 119.74 114.74 1k8a s LYS 66 Ca 0.00 -1.69 -0.02 0.00 -1.00 0.00 0.00 55.97 53.26 1k8a s LYS 66 Cb 0.00 0.08 0.10 0.00 -2.06 0.00 0.00 37.83 35.95 1k8a s LYS 66 CO 0.00 -0.36 0.11 -1.14 0.10 0.00 0.00 175.35 174.06 1k8a s GLN 67 N -4.10 0.48 4.17 1.78 0.74 0.18 -4.84 119.66 118.07 1k8a s GLN 67 Ca 0.39 -0.84 0.00 0.00 0.05 0.00 0.00 55.36 54.96 1k8a s GLN 67 Cb 0.07 -1.61 0.00 0.00 1.10 0.00 0.00 33.01 32.58 1k8a s GLN 67 CO 0.13 -1.01 0.00 0.41 -0.55 0.00 0.00 175.29 174.27 1k8a n GLY 68 N 5.01 0.68 0.18 2.59 0.00 -1.26 -2.42 105.19 109.97 1k8a n GLY 68 Ca -0.04 -0.86 0.09 0.00 0.00 0.00 0.00 46.02 45.22 1k8a n GLY 68 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1k8a h ASP 69 N 9.00 0.00 -4.02 1.61 3.32 -2.00 -3.46 116.42 120.87 1k8a h ASP 69 Ca 0.00 0.00 -0.51 0.00 0.02 0.00 0.00 57.03 56.54 1k8a h ASP 69 Cb 0.00 0.00 0.07 0.00 0.22 0.00 0.00 39.33 39.62 1k8a h ASP 69 CO 0.00 0.14 0.47 0.00 -1.72 0.00 0.00 179.24 178.13 1k8a s ALA 70 N -3.17 2.90 0.30 3.45 0.00 -1.02 -4.79 121.76 119.44 1k8a s ALA 70 Ca 0.04 0.91 0.03 0.00 0.00 0.00 0.00 51.96 52.95 1k8a s ALA 70 Cb 0.07 -3.38 -0.03 0.00 0.00 0.00 0.00 23.12 19.77 1k8a s ALA 70 CO 0.72 -0.70 0.46 0.71 0.00 0.00 0.00 175.76 176.95 1k8a s TYR 71 N -1.60 3.47 -0.32 0.00 1.51 0.25 0.50 117.35 121.16 1k8a s TYR 71 Ca 0.66 0.16 -0.02 0.00 -1.01 0.00 0.00 57.07 56.87 1k8a s TYR 71 Cb -0.28 -1.75 0.06 0.00 -0.11 0.00 0.00 41.96 39.89 1k8a s TYR 71 CO 0.33 0.26 0.03 0.15 -1.11 0.00 0.00 175.55 175.22 1k8a s LYS 72 N -4.16 2.34 -0.14 -0.62 1.02 -0.50 -0.03 119.74 117.65 1k8a s LYS 72 Ca 0.37 -1.37 -0.04 0.00 0.02 0.00 0.00 55.97 54.96 1k8a s LYS 72 Cb -0.09 -3.25 -0.03 0.00 -0.52 0.00 0.00 37.83 33.94 1k8a s LYS 72 CO 0.33 -0.70 -0.02 0.08 -0.92 0.00 0.00 175.35 174.12 1k8a s VAL 73 N 1.23 4.11 -0.10 3.17 1.01 0.73 -1.37 120.40 129.18 1k8a s VAL 73 Ca -0.03 -0.29 -0.17 0.00 0.00 0.00 0.00 61.98 61.49 1k8a s VAL 73 Cb -0.20 -2.78 -0.05 0.00 0.00 0.00 0.00 36.38 33.35 1k8a s VAL 73 CO -0.02 0.52 0.45 -1.81 0.00 0.00 0.00 175.10 174.24 1k8a s ASP 74 N 0.01 6.69 0.31 3.32 1.01 -0.82 0.14 116.67 127.33 1k8a s ASP 74 Ca 0.02 0.82 0.03 0.00 0.71 0.00 0.00 52.55 54.13 1k8a s ASP 74 Cb -0.13 -2.27 -0.04 0.00 1.01 0.00 0.00 42.92 41.49 1k8a s ASP 74 CO 0.02 0.08 0.14 0.27 0.21 0.00 0.00 175.17 175.89 1k8a s ILE 75 N 0.25 0.46 -0.26 0.77 -4.36 0.35 -1.15 121.20 117.26 1k8a s ILE 75 Ca 0.25 -2.00 -0.00 0.00 -0.26 0.00 0.00 60.65 58.64 1k8a s ILE 75 Cb -0.15 -2.53 0.08 0.00 1.25 0.00 0.00 42.46 41.11 1k8a s ILE 75 CO 0.10 0.00 0.03 -0.69 0.24 0.00 0.00 174.94 174.62 1k8a s VAL 76 N -3.55 1.21 -0.55 8.37 1.01 -1.26 -0.92 120.40 124.71 1k8a s VAL 76 Ca 0.34 -1.28 -0.27 0.00 0.00 0.00 0.00 61.98 60.77 1k8a s VAL 76 Cb 0.05 -1.71 0.03 0.00 0.00 0.00 0.00 36.38 34.76 1k8a s VAL 76 CO 0.17 -0.37 1.12 -0.62 0.00 0.00 0.00 175.10 175.40 1k8a s ASP 77 N 1.50 6.46 1.38 3.32 -1.08 0.45 -4.73 116.67 123.96 1k8a s ASP 77 Ca 0.02 0.07 0.00 0.00 -0.52 0.00 0.00 52.55 52.12 1k8a s ASP 77 Cb -0.18 -2.52 0.00 0.00 -1.46 0.00 0.00 42.92 38.76 1k8a s ASP 77 CO -0.13 -1.37 0.00 0.61 0.52 0.00 0.00 175.17 174.80 1k8a n GLY 78 N 5.04 1.00 0.20 2.66 0.00 -1.26 0.14 105.19 112.97 1k8a n GLY 78 Ca 0.07 0.40 0.02 0.00 0.00 0.00 0.00 46.02 46.52 1k8a n GLY 78 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1k8a n GLY 79 N 0.00 0.87 3.85 -0.02 0.00 -1.26 -5.01 105.19 103.61 1k8a n GLY 79 Ca 0.00 -0.13 -0.35 0.00 0.00 0.00 0.00 46.02 45.54 1k8a n GLY 79 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1k8a s LYS 80 N -0.67 3.32 -0.03 1.61 2.20 0.12 -5.08 119.74 121.22 1k8a s LYS 80 Ca 0.07 -0.27 -0.21 0.00 -0.36 0.00 0.00 55.97 55.19 1k8a s LYS 80 Cb 0.04 -3.06 -0.05 0.00 -1.51 0.00 0.00 37.83 33.25 1k8a s LYS 80 CO 0.06 0.72 0.62 -2.00 -0.36 0.00 0.00 175.35 174.39 1k8a s GLU 81 N -1.38 4.36 0.04 4.03 2.12 -1.26 0.17 118.70 126.78 1k8a s GLU 81 Ca 0.19 0.76 -0.03 0.00 0.36 0.00 0.00 54.97 56.25 1k8a s GLU 81 Cb -0.12 -3.38 -0.02 0.00 0.26 0.00 0.00 34.13 30.86 1k8a s GLU 81 CO 0.09 0.26 0.03 0.15 -0.54 0.00 0.00 175.26 175.25 1k8a s LYS 82 N 0.18 0.52 -0.15 4.30 1.02 -0.10 -4.89 119.74 120.63 1k8a s LYS 82 Ca 0.33 -0.84 0.00 0.00 0.02 0.00 0.00 55.97 55.47 1k8a s LYS 82 Cb -0.18 0.19 -0.01 0.00 -0.52 0.00 0.00 37.83 37.32 1k8a s LYS 82 CO 0.17 -0.11 -0.15 0.99 -0.92 0.00 0.00 175.35 175.33 1k8a s THR 83 N -2.67 2.77 -0.14 2.17 2.01 -1.26 -0.49 115.64 118.03 1k8a s THR 83 Ca -0.05 -0.74 -0.01 0.00 0.31 0.00 0.00 61.69 61.20 1k8a s THR 83 Cb -0.01 -2.17 -0.02 0.00 0.01 0.00 0.00 72.50 70.31 1k8a s THR 83 CO -0.05 0.51 -0.11 -0.63 -0.69 0.00 0.00 174.62 173.66 1k8a s ILE 84 N 0.70 3.25 -0.38 1.82 1.01 0.36 -4.91 121.20 123.06 1k8a s ILE 84 Ca -0.07 -0.59 -0.24 0.00 0.00 0.00 0.00 60.65 59.76 1k8a s ILE 84 Cb -0.16 -2.38 0.01 0.00 0.01 0.00 0.00 42.46 39.95 1k8a s ILE 84 CO 0.02 0.52 0.81 -0.63 0.00 0.00 0.00 174.94 175.65 1k8a s ILE 85 N 0.35 4.69 -0.11 2.92 -1.09 -1.26 -0.19 121.20 126.51 1k8a s ILE 85 Ca -0.09 0.85 -0.11 0.00 -2.23 0.00 0.00 60.65 59.07 1k8a s ILE 85 Cb -0.16 -4.25 0.03 0.00 -1.58 0.00 0.00 42.46 36.50 1k8a s ILE 85 CO 0.05 -0.50 0.30 0.54 -1.23 0.00 0.00 174.94 174.10 1k8a s VAL 86 N 3.20 0.00 0.62 2.92 0.11 0.96 -4.60 120.40 123.62 1k8a s VAL 86 Ca 0.32 -0.04 -0.09 0.00 -2.93 0.00 0.00 61.98 59.24 1k8a s VAL 86 Cb -0.13 -0.44 -0.02 0.00 -1.53 0.00 0.00 36.38 34.27 1k8a s VAL 86 CO 0.18 -0.02 0.99 0.42 -3.33 0.00 0.00 175.10 173.34 1k8a s THR 87 N 0.05 4.21 0.37 5.04 -4.23 -0.96 -0.58 115.64 119.53 1k8a s THR 87 Ca -0.01 0.52 0.05 0.00 -1.18 0.00 0.00 61.69 61.07 1k8a s THR 87 Cb -0.02 -3.69 0.28 0.00 1.34 0.00 0.00 72.50 70.41 1k8a s THR 87 CO 0.01 -0.84 1.99 0.00 -0.54 0.00 0.00 174.62 175.23 1k8a h ALA 88 N -0.31 1.68 -1.17 3.99 0.00 -1.84 -1.80 119.26 119.81 1k8a h ALA 88 Ca -0.45 -0.03 0.34 0.00 0.00 0.00 0.00 54.91 54.77 1k8a h ALA 88 Cb 1.22 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 18.76 1k8a h ALA 88 CO 0.62 0.24 0.90 0.00 0.00 0.00 0.00 179.25 181.02 1k8a h ALA 89 N 1.63 3.08 -0.31 0.00 0.00 -1.75 0.20 119.26 122.11 1k8a h ALA 89 Ca 0.27 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.14 1k8a h ALA 89 Cb 0.14 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 1k8a h ALA 89 CO -0.08 -1.50 0.00 0.72 0.00 0.00 0.00 179.25 178.39 1k8a n HIS 90 N -4.01 1.11 -4.27 0.00 -0.00 -0.68 -4.56 115.22 102.81 1k8a n HIS 90 Ca 0.25 -0.87 -0.18 0.00 -0.00 0.00 0.00 57.72 56.92 1k8a n HIS 90 Cb 1.28 -0.35 -0.11 0.00 -0.00 0.00 0.00 29.99 30.82 1k8a n HIS 90 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1k8a s LEU 91 N -2.83 2.44 -0.02 2.41 1.43 0.70 -1.92 118.68 120.89 1k8a s LEU 91 Ca 0.44 -0.87 -0.05 0.00 -1.03 0.00 0.00 54.13 52.63 1k8a s LEU 91 Cb 0.35 -0.58 0.00 0.00 0.03 0.00 0.00 46.19 46.00 1k8a s LEU 91 CO 0.10 -0.15 0.11 -0.13 0.23 0.00 0.00 176.35 176.50 1k8a s ARG 92 N -2.93 0.28 0.11 1.70 1.81 -0.86 -4.95 118.95 114.11 1k8a s ARG 92 Ca 0.12 -0.13 -0.31 0.00 -1.72 0.00 0.00 55.73 53.70 1k8a s ARG 92 Cb -0.04 0.12 -0.07 0.00 -0.45 0.00 0.00 34.95 34.51 1k8a s ARG 92 CO 0.04 -0.06 1.28 1.03 -0.68 0.00 0.00 175.30 176.91 1k8a s ARG 93 N -0.64 4.39 0.39 3.54 0.52 -1.26 -0.66 118.95 125.23 1k8a s ARG 93 Ca -0.07 1.92 -0.25 0.00 -0.52 0.00 0.00 55.73 56.81 1k8a s ARG 93 Cb -0.04 -3.28 -0.09 0.00 0.52 0.00 0.00 34.95 32.06 1k8a s ARG 93 CO 0.01 -0.30 1.10 -1.14 0.02 0.00 0.00 175.30 174.98 1k8a s GLN 94 N 0.81 4.17 0.00 3.54 0.74 -0.67 -4.84 119.66 123.42 1k8a s GLN 94 Ca 0.60 1.67 0.00 0.00 0.05 0.00 0.00 55.36 57.68 1k8a s GLN 94 Cb -0.33 -2.66 0.00 0.00 1.10 0.00 0.00 33.01 31.11 1k8a s GLN 94 CO 0.31 -0.17 0.00 0.39 -0.55 0.00 0.00 175.29 175.27