#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k8s s ALA 2 N 0.00 2.76 0.08 1.55 0.00 -1.26 -4.28 121.76 120.61 2k8s s ALA 2 Ca 0.00 -2.60 -0.18 0.00 0.00 0.00 0.00 51.96 49.17 2k8s s ALA 2 Cb 0.00 -4.65 -0.07 0.00 0.00 0.00 0.00 23.12 18.40 2k8s s ALA 2 CO 0.00 -3.97 0.55 -1.12 0.00 0.00 0.00 175.76 171.22 2k8s s SER 3 N 5.09 7.01 -0.42 0.00 0.01 -1.26 -4.70 113.70 119.42 2k8s s SER 3 Ca 0.59 1.21 -0.29 0.00 1.31 0.00 0.00 55.95 58.77 2k8s s SER 3 Cb 0.02 -2.34 0.02 0.00 0.21 0.00 0.00 66.02 63.93 2k8s s SER 3 CO 0.08 0.25 1.16 -0.75 0.41 0.00 0.00 173.24 174.40 2k8s s LYS 4 N -1.25 3.81 -0.38 12.44 2.20 -1.26 -1.54 119.74 133.76 2k8s s LYS 4 Ca 0.30 0.78 -0.07 0.00 -0.36 0.00 0.00 55.97 56.62 2k8s s LYS 4 Cb -0.19 -3.88 0.06 0.00 -1.51 0.00 0.00 37.83 32.32 2k8s s LYS 4 CO 0.19 -1.26 0.18 0.00 -0.36 0.00 0.00 175.35 174.09 2k8s s ALA 5 N 4.35 3.16 -0.33 3.13 0.00 0.61 -0.72 121.76 131.97 2k8s s ALA 5 Ca 0.49 -2.00 -0.16 0.00 0.00 0.00 0.00 51.96 50.30 2k8s s ALA 5 Cb -0.10 -2.45 -0.01 0.00 0.00 0.00 0.00 23.12 20.56 2k8s s ALA 5 CO 0.27 -1.52 0.40 0.42 0.00 0.00 0.00 175.76 175.34 2k8s s ILE 6 N 1.39 5.13 -0.57 0.00 1.01 0.13 0.37 121.20 128.66 2k8s s ILE 6 Ca 0.01 0.21 -0.15 0.00 0.00 0.00 0.00 60.65 60.73 2k8s s ILE 6 Cb -0.21 -3.84 0.14 0.00 0.01 0.00 0.00 42.46 38.56 2k8s s ILE 6 CO 0.02 -0.08 0.52 0.12 0.00 0.00 0.00 174.94 175.52 2k8s s PHE 7 N 2.12 3.34 -0.50 3.97 5.36 0.77 0.35 117.98 133.40 2k8s s PHE 7 Ca 0.14 -1.46 -0.25 0.00 -0.96 0.00 0.00 56.93 54.40 2k8s s PHE 7 Cb -0.16 -3.77 0.03 0.00 -0.34 0.00 0.00 43.02 38.78 2k8s s PHE 7 CO 0.12 -1.01 0.91 0.71 -1.46 0.00 0.00 175.22 174.49 2k8s s TYR 8 N 1.36 2.87 0.30 10.12 1.51 0.59 -0.23 117.35 133.87 2k8s s TYR 8 Ca 0.06 0.18 0.11 0.00 -1.01 0.00 0.00 57.07 56.41 2k8s s TYR 8 Cb -0.27 -3.98 -0.05 0.00 -0.11 0.00 0.00 41.96 37.55 2k8s s TYR 8 CO 0.01 -1.20 -0.16 -3.38 -1.11 0.00 0.00 175.55 169.71 2k8s s HIS 9 N 3.78 2.34 -2.05 2.71 -3.43 -0.10 -0.35 115.29 118.20 2k8s s HIS 9 Ca 0.33 -0.37 0.23 0.00 -0.80 0.00 0.00 55.06 54.45 2k8s s HIS 9 Cb -0.11 -1.12 0.05 0.00 -1.43 0.00 0.00 32.58 29.97 2k8s s HIS 9 CO 0.23 0.67 1.13 0.00 -2.00 0.00 0.00 174.74 174.77 2k8s n ALA 10 N -0.69 3.50 -0.76 -1.38 0.00 -1.26 0.10 120.51 120.02 2k8s n ALA 10 Ca -0.05 -0.63 0.00 0.00 0.00 0.00 0.00 53.44 52.76 2k8s n ALA 10 Cb 0.61 -0.82 0.00 0.00 0.00 0.00 0.00 19.45 19.24 2k8s n ALA 10 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k8s n GLY 11 N 1.41 0.98 3.74 0.00 0.00 -1.26 -4.38 105.19 105.69 2k8s n GLY 11 Ca 0.10 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.79 2k8s n GLY 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k8s h PRO 13 N -0.71 0.58 -0.75 0.00 0.13 -1.99 0.14 132.00 129.40 2k8s h PRO 13 Ca -0.45 -0.03 -0.01 0.00 -0.87 0.00 0.00 66.00 64.63 2k8s h PRO 13 Cb 1.26 -0.13 -0.04 0.00 0.13 0.00 0.00 31.00 32.22 2k8s h PRO 13 CO 0.50 0.38 0.42 0.28 -0.23 0.00 0.00 178.00 179.35 2k8s h VAL 14 N 0.60 1.22 -0.40 1.56 2.07 -1.99 -0.63 116.25 118.67 2k8s h VAL 14 Ca 0.55 -0.53 -0.10 0.00 0.82 0.00 0.00 66.70 67.43 2k8s h VAL 14 Cb 0.92 0.20 -0.02 0.00 -1.52 0.00 0.00 31.29 30.87 2k8s h VAL 14 CO -0.43 0.24 -0.16 0.00 0.02 0.00 0.00 177.57 177.24 2k8s h VAL 16 N 0.67 1.19 -0.93 0.00 2.07 -0.43 -0.87 116.25 117.96 2k8s h VAL 16 Ca 0.11 -0.60 0.02 0.00 0.82 0.00 0.00 66.70 67.04 2k8s h VAL 16 Cb 0.64 1.22 -0.05 0.00 -1.52 0.00 0.00 31.29 31.58 2k8s h VAL 16 CO 0.05 0.19 0.61 0.28 0.02 0.00 0.00 177.57 178.72 2k8s h SER 17 N 0.14 1.05 -0.56 0.57 0.02 -0.99 0.13 113.55 113.92 2k8s h SER 17 Ca 0.06 -0.02 -0.05 0.00 -0.84 0.00 0.00 61.79 60.94 2k8s h SER 17 Cb 0.24 -0.26 -0.03 0.00 0.14 0.00 0.00 62.40 62.50 2k8s h SER 17 CO -0.00 0.75 0.17 0.00 -1.14 0.00 0.00 176.83 176.60 2k8s h ALA 18 N 1.43 1.17 -0.11 3.77 0.00 -0.98 -2.11 119.26 122.43 2k8s h ALA 18 Ca 0.35 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 2k8s h ALA 18 Cb -0.09 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.45 2k8s h ALA 18 CO -0.09 0.57 -0.06 1.49 0.00 0.00 0.00 179.25 181.17 2k8s h GLU 19 N 0.89 0.23 -0.62 0.00 4.81 -0.05 0.22 114.58 120.06 2k8s h GLU 19 Ca 0.20 -0.10 0.05 0.00 -0.13 0.00 0.00 59.36 59.37 2k8s h GLU 19 Cb 0.28 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.62 2k8s h GLU 19 CO -0.01 0.59 0.41 1.96 -0.73 0.00 0.00 179.01 181.23 2k8s h GLN 20 N -0.13 0.65 0.00 1.92 4.20 -0.59 -2.40 115.11 118.76 2k8s h GLN 20 Ca 0.02 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.69 2k8s h GLN 20 Cb 0.52 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 28.15 2k8s h GLN 20 CO 0.02 0.43 -0.42 0.00 -0.67 0.00 0.00 178.83 178.19 2k8s n ALA 21 N -2.46 0.37 -0.03 3.87 0.00 -0.81 -4.32 120.51 117.12 2k8s n ALA 21 Ca 0.08 -0.48 -0.13 0.00 0.00 0.00 0.00 53.44 52.91 2k8s n ALA 21 Cb 0.18 0.01 -0.08 0.00 0.00 0.00 0.00 19.45 19.56 2k8s n ALA 21 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2k8s h VAL 22 N -0.43 1.34 0.00 0.00 2.07 -0.73 0.12 116.25 118.63 2k8s h VAL 22 Ca 0.00 -1.14 0.00 0.00 0.82 0.00 0.00 66.70 66.38 2k8s h VAL 22 Cb 0.42 1.92 0.00 0.00 -1.52 0.00 0.00 31.29 32.11 2k8s h VAL 22 CO 0.00 0.32 0.00 0.00 0.02 0.00 0.00 177.57 177.91 2k8s n ALA 23 N -2.36 1.72 0.85 1.67 0.00 -0.86 -0.99 120.51 120.53 2k8s n ALA 23 Ca -0.07 0.06 0.10 0.00 0.00 0.00 0.00 53.44 53.52 2k8s n ALA 23 Cb 0.29 -1.38 0.02 0.00 0.00 0.00 0.00 19.45 18.38 2k8s n ALA 23 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2k8s n ASN 24 N -2.14 2.03 0.00 0.00 3.02 -0.94 -4.18 115.26 113.05 2k8s n ASN 24 Ca 0.03 -1.52 -0.10 0.00 -0.03 0.00 0.00 54.58 52.96 2k8s n ASN 24 Cb 0.24 0.36 -0.14 0.00 -0.61 0.00 0.00 39.78 39.63 2k8s n ASN 24 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2k8s h ALA 25 N 3.47 0.64 -2.15 5.41 0.00 0.81 -3.42 119.26 124.02 2k8s h ALA 25 Ca 0.00 -1.35 -0.73 0.00 0.00 0.00 0.00 54.91 52.83 2k8s h ALA 25 Cb 0.70 0.41 -0.22 0.00 0.00 0.00 0.00 17.79 18.68 2k8s h ALA 25 CO 0.00 1.47 0.15 0.42 0.00 0.00 0.00 179.25 181.29 2k8s s ILE 26 N -2.61 5.06 0.21 0.00 1.01 -0.77 -5.04 121.20 119.06 2k8s s ILE 26 Ca -0.06 -1.51 -0.32 0.00 0.00 0.00 0.00 60.65 58.76 2k8s s ILE 26 Cb 0.08 -4.50 -0.13 0.00 0.01 0.00 0.00 42.46 37.92 2k8s s ILE 26 CO 0.82 -1.11 1.65 0.47 0.00 0.00 0.00 174.94 176.77 2k8s n ASP 27 N 5.62 3.68 0.18 3.58 8.00 -1.26 -4.83 116.55 131.52 2k8s n ASP 27 Ca -0.00 1.08 0.13 0.00 0.71 0.00 0.00 54.79 56.70 2k8s n ASP 27 Cb 0.44 -1.53 0.65 0.00 -0.02 0.00 0.00 41.12 40.65 2k8s n ASP 27 CO 0.00 0.00 0.00 -0.65 -0.39 0.00 0.00 177.20 176.16 2k8s h PRO 28 N 6.18 0.00 0.00 -0.24 0.11 -1.88 0.21 132.00 136.38 2k8s h PRO 28 Ca -0.44 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.57 2k8s h PRO 28 Cb 1.22 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.31 2k8s h PRO 28 CO 0.91 0.00 -1.11 0.77 -0.21 0.00 0.00 178.00 178.36 2k8s h SER 29 N 0.00 0.00 0.05 -2.05 0.02 -2.00 -3.30 113.55 106.27 2k8s h SER 29 Ca 0.00 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.88 2k8s h SER 29 Cb 0.07 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.61 2k8s h SER 29 CO 0.00 0.36 -0.31 0.50 -1.14 0.00 0.00 176.83 176.24 2k8s h LYS 30 N 0.00 0.13 -3.69 3.45 3.64 -1.04 -3.43 116.57 115.64 2k8s h LYS 30 Ca -0.09 -0.20 -0.24 0.00 -1.27 0.00 0.00 60.65 58.85 2k8s h LYS 30 Cb 1.35 0.07 -0.29 0.00 -0.41 0.00 0.00 32.23 32.95 2k8s h LYS 30 CO 0.03 1.06 -0.72 0.71 -2.27 0.00 0.00 179.45 178.26 2k8s s TYR 31 N -2.47 0.01 -0.65 1.91 2.02 0.03 -2.86 117.35 115.34 2k8s s TYR 31 Ca -0.17 0.03 -0.27 0.00 -0.37 0.00 0.00 57.07 56.29 2k8s s TYR 31 Cb -0.01 -0.05 0.01 0.00 -0.40 0.00 0.00 41.96 41.51 2k8s s TYR 31 CO 0.75 -0.02 1.48 0.95 -1.57 0.00 0.00 175.55 177.14 2k8s s THR 32 N 0.22 3.64 -0.07 -0.71 -4.23 -0.59 -3.73 115.64 110.17 2k8s s THR 32 Ca -0.02 0.44 -0.20 0.00 -1.18 0.00 0.00 61.69 60.73 2k8s s THR 32 Cb -0.03 -4.49 -0.04 0.00 1.34 0.00 0.00 72.50 69.28 2k8s s THR 32 CO -0.01 -1.37 0.55 -0.69 -0.54 0.00 0.00 174.62 172.56 2k8s s VAL 33 N 6.76 5.08 -0.35 2.29 1.01 -1.26 -0.28 120.40 133.64 2k8s s VAL 33 Ca 0.50 1.13 -0.01 0.00 0.00 0.00 0.00 61.98 63.59 2k8s s VAL 33 Cb -0.10 -3.89 0.08 0.00 0.00 0.00 0.00 36.38 32.47 2k8s s VAL 33 CO 0.20 0.35 0.09 -0.70 0.00 0.00 0.00 175.10 175.04 2k8s s GLU 34 N 0.36 2.10 -0.17 2.72 2.12 0.16 -4.92 118.70 121.07 2k8s s GLU 34 Ca 0.30 -1.60 -0.29 0.00 0.36 0.00 0.00 54.97 53.74 2k8s s GLU 34 Cb -0.17 -3.35 -0.01 0.00 0.26 0.00 0.00 34.13 30.86 2k8s s GLU 34 CO 0.14 -0.86 1.28 0.42 -0.54 0.00 0.00 175.26 175.70 2k8s s ILE 35 N 1.15 4.24 -0.09 -3.70 -1.09 -1.26 -0.16 121.20 120.28 2k8s s ILE 35 Ca 0.03 1.49 0.01 0.00 -2.23 0.00 0.00 60.65 59.95 2k8s s ILE 35 Cb -0.21 -3.99 0.02 0.00 -1.58 0.00 0.00 42.46 36.70 2k8s s ILE 35 CO -0.04 -0.17 -0.10 -0.69 -1.23 0.00 0.00 174.94 172.72 2k8s s VAL 36 N 3.62 1.10 -0.25 2.92 1.01 0.68 -4.93 120.40 124.56 2k8s s VAL 36 Ca 0.56 -0.40 -0.24 0.00 0.00 0.00 0.00 61.98 61.89 2k8s s VAL 36 Cb -0.22 -1.05 -0.01 0.00 0.00 0.00 0.00 36.38 35.11 2k8s s VAL 36 CO 0.16 0.36 0.80 -2.28 0.00 0.00 0.00 175.10 174.14 2k8s s HIS 37 N 1.11 3.30 -1.22 5.22 2.46 -1.26 -0.92 115.29 123.98 2k8s s HIS 37 Ca -0.06 1.07 0.11 0.00 0.47 0.00 0.00 55.06 56.65 2k8s s HIS 37 Cb -0.14 -3.04 0.18 0.00 -0.13 0.00 0.00 32.58 29.45 2k8s s HIS 37 CO -0.02 -0.40 1.03 -0.11 -2.47 0.00 0.00 174.74 172.77 2k8s n LEU 38 N 5.98 2.36 0.08 8.88 7.94 0.12 -4.38 117.00 137.98 2k8s n LEU 38 Ca 0.05 -1.42 -0.09 0.00 -1.11 0.00 0.00 56.01 53.44 2k8s n LEU 38 Cb 0.48 -0.10 -0.09 0.00 0.53 0.00 0.00 43.42 44.24 2k8s n LEU 38 CO 0.47 0.52 0.13 1.23 -1.11 0.00 0.00 177.39 178.63 2k8s h GLY 39 N 2.16 0.13 0.33 -3.96 0.00 -1.75 -3.36 103.07 96.62 2k8s h GLY 39 Ca 0.00 -0.29 -0.37 0.00 0.00 0.00 0.00 47.33 46.68 2k8s h GLY 39 CO 0.00 0.25 -2.12 2.41 0.00 0.00 0.00 176.54 177.09 2k8s n THR 40 N -3.49 1.66 -2.38 4.70 -1.04 -1.26 -4.83 114.28 107.64 2k8s n THR 40 Ca -0.03 -0.56 -0.41 0.00 -2.04 0.00 0.00 64.05 61.02 2k8s n THR 40 Cb 0.92 -1.67 -0.03 0.00 -1.82 0.00 0.00 70.33 67.72 2k8s n THR 40 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2k8s s ASP 41 N -6.89 5.94 0.02 8.00 -1.08 -1.26 -4.82 116.67 116.58 2k8s s ASP 41 Ca -0.28 -0.01 0.28 0.00 -0.52 0.00 0.00 52.55 52.02 2k8s s ASP 41 Cb 0.08 -2.55 0.97 0.00 -1.46 0.00 0.00 42.92 39.96 2k8s s ASP 41 CO 0.68 -1.92 1.75 0.29 0.52 0.00 0.00 175.17 176.50 2k8s n LYS 42 N 9.08 0.03 0.08 4.34 5.02 -1.26 -3.43 118.16 132.02 2k8s n LYS 42 Ca 0.10 0.02 -0.13 0.00 -2.02 0.00 0.00 58.31 56.28 2k8s n LYS 42 Cb 0.50 -1.53 -0.14 0.00 -0.02 0.00 0.00 35.03 33.84 2k8s n LYS 42 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2k8s h ALA 43 N 2.94 0.23 0.00 7.82 0.00 -1.97 -3.22 119.26 125.06 2k8s h ALA 43 Ca 0.00 -0.96 0.00 0.00 0.00 0.00 0.00 54.91 53.95 2k8s h ALA 43 Cb 0.53 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.36 2k8s h ALA 43 CO 0.00 1.11 0.00 0.54 0.00 0.00 0.00 179.25 180.90 2k8s n ARG 44 N -3.44 0.81 0.04 0.00 1.74 -1.22 -2.36 116.66 112.23 2k8s n ARG 44 Ca -0.08 0.00 0.01 0.00 -0.77 0.00 0.00 57.85 57.01 2k8s n ARG 44 Cb 1.01 -1.30 0.34 0.00 -1.02 0.00 0.00 32.46 31.49 2k8s n ARG 44 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 2k8s h ILE 45 N 0.00 1.18 -0.20 0.55 2.04 -1.69 0.38 117.51 119.77 2k8s h ILE 45 Ca 0.00 -0.73 -0.11 0.00 1.00 0.00 0.00 64.86 65.02 2k8s h ILE 45 Cb 0.00 1.00 -0.01 0.00 -0.74 0.00 0.00 36.82 37.07 2k8s h ILE 45 CO 0.00 0.25 -0.34 0.00 0.00 0.00 0.00 178.15 178.06 2k8s h ALA 46 N 1.57 1.04 0.00 1.87 0.00 -1.72 -2.48 119.26 119.55 2k8s h ALA 46 Ca 0.09 -0.39 -0.10 0.00 0.00 0.00 0.00 54.91 54.51 2k8s h ALA 46 Cb 0.31 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 2k8s h ALA 46 CO 0.01 0.59 -0.46 1.49 0.00 0.00 0.00 179.25 180.88 2k8s h GLU 47 N 0.36 0.00 -0.00 0.00 4.81 -1.42 -1.30 114.58 117.03 2k8s h GLU 47 Ca 0.04 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.27 2k8s h GLU 47 Cb 0.77 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.15 2k8s h GLU 47 CO 0.06 0.46 0.00 0.00 -0.73 0.00 0.00 179.01 178.80 2k8s h ALA 48 N 1.54 0.00 0.00 2.92 0.00 0.16 0.23 119.26 124.11 2k8s h ALA 48 Ca -0.00 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 2k8s h ALA 48 Cb 1.02 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 2k8s h ALA 48 CO 0.06 -0.47 -0.23 0.93 0.00 0.00 0.00 179.25 179.54 2k8s h GLU 49 N -0.06 0.00 -0.30 0.00 5.08 -1.35 0.47 114.58 118.43 2k8s h GLU 49 Ca 0.00 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.19 2k8s h GLU 49 Cb 0.06 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.31 2k8s h GLU 49 CO -0.00 0.23 -0.48 -0.22 -1.00 0.00 0.00 179.01 177.54 2k8s h LYS 50 N 0.00 0.81 0.06 2.33 3.64 -0.51 -3.30 116.57 119.59 2k8s h LYS 50 Ca -0.00 -0.47 -0.33 0.00 -1.27 0.00 0.00 60.65 58.57 2k8s h LYS 50 Cb 0.46 0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 32.28 2k8s h LYS 50 CO 0.03 1.10 -1.91 0.00 -2.27 0.00 0.00 179.45 176.40 2k8s n ALA 51 N -2.55 1.21 0.00 5.00 0.00 0.73 -4.99 120.51 119.91 2k8s n ALA 51 Ca -0.03 -0.73 0.00 0.00 0.00 0.00 0.00 53.44 52.68 2k8s n ALA 51 Cb 0.59 -0.71 0.00 0.00 0.00 0.00 0.00 19.45 19.33 2k8s n ALA 51 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k8s n GLY 52 N 1.80 1.78 3.56 0.00 0.00 0.12 -4.92 105.19 107.53 2k8s n GLY 52 Ca -0.26 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.33 2k8s n GLY 52 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2k8s s VAL 53 N -2.00 4.26 -0.34 1.61 1.01 0.11 -4.78 120.40 120.26 2k8s s VAL 53 Ca 0.00 0.73 0.21 0.00 0.00 0.00 0.00 61.98 62.92 2k8s s VAL 53 Cb 0.00 -4.58 -0.29 0.00 0.00 0.00 0.00 36.38 31.50 2k8s s VAL 53 CO 0.00 -1.10 0.60 0.29 0.00 0.00 0.00 175.10 174.89 2k8s n LYS 54 N 7.76 0.50 -3.80 2.72 5.02 -1.26 -4.37 118.16 124.73 2k8s n LYS 54 Ca 0.07 -0.13 -0.09 0.00 -2.02 0.00 0.00 58.31 56.13 2k8s n LYS 54 Cb 0.48 -1.49 -0.04 0.00 -0.02 0.00 0.00 35.03 33.96 2k8s n LYS 54 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 2k8s s SER 55 N -3.92 -0.19 0.05 4.39 0.01 -1.26 -0.26 113.70 112.50 2k8s s SER 55 Ca -0.03 -0.58 0.07 0.00 1.31 0.00 0.00 55.95 56.73 2k8s s SER 55 Cb 0.14 0.56 -0.03 0.00 0.21 0.00 0.00 66.02 66.90 2k8s s SER 55 CO 0.86 -1.04 -0.21 0.68 0.41 0.00 0.00 173.24 173.95 2k8s s VAL 56 N -3.90 1.66 0.29 3.43 -7.23 0.71 -3.66 120.40 111.71 2k8s s VAL 56 Ca 0.11 -1.21 -0.21 0.00 -1.81 0.00 0.00 61.98 58.86 2k8s s VAL 56 Cb -0.00 -1.45 -0.09 0.00 0.56 0.00 0.00 36.38 35.40 2k8s s VAL 56 CO -0.01 0.19 0.83 -2.16 -0.31 0.00 0.00 175.10 173.64 2k8s s PRO 57 N -1.20 4.33 -0.09 4.82 0.04 -1.26 -2.24 135.00 139.39 2k8s s PRO 57 Ca 0.07 1.03 0.02 0.00 0.04 0.00 0.00 61.00 62.16 2k8s s PRO 57 Cb -0.09 -2.71 0.01 0.00 0.04 0.00 0.00 34.50 31.75 2k8s s PRO 57 CO 0.02 0.28 -0.14 0.00 0.04 0.00 0.00 177.00 177.19 2k8s s ALA 58 N -1.69 1.54 -0.50 8.56 0.00 0.53 -0.41 121.76 129.79 2k8s s ALA 58 Ca 0.49 -0.62 -0.15 0.00 0.00 0.00 0.00 51.96 51.68 2k8s s ALA 58 Cb -0.16 -0.75 0.11 0.00 0.00 0.00 0.00 23.12 22.32 2k8s s ALA 58 CO 0.21 -0.03 0.44 -1.17 0.00 0.00 0.00 175.76 175.20 2k8s s LEU 59 N 0.92 5.90 -0.76 0.00 0.20 0.13 -0.30 118.68 124.76 2k8s s LEU 59 Ca -0.09 -1.64 -0.23 0.00 0.69 0.00 0.00 54.13 52.87 2k8s s LEU 59 Cb -0.15 -2.17 0.07 0.00 -0.43 0.00 0.00 46.19 43.51 2k8s s LEU 59 CO -0.00 -0.76 1.12 -0.69 -0.29 0.00 0.00 176.35 175.73 2k8s s VAL 60 N 1.58 4.19 -0.50 1.68 1.01 0.16 -0.49 120.40 128.03 2k8s s VAL 60 Ca 0.04 -0.40 -0.22 0.00 0.00 0.00 0.00 61.98 61.40 2k8s s VAL 60 Cb -0.27 -4.80 0.04 0.00 0.00 0.00 0.00 36.38 31.35 2k8s s VAL 60 CO 0.04 -1.62 0.75 -0.63 0.00 0.00 0.00 175.10 173.64 2k8s s ILE 61 N 4.36 4.68 0.00 2.22 1.01 0.62 0.22 121.20 134.31 2k8s s ILE 61 Ca 0.29 0.02 0.00 0.00 0.00 0.00 0.00 60.65 60.96 2k8s s ILE 61 Cb -0.11 -4.36 0.00 0.00 0.01 0.00 0.00 42.46 38.00 2k8s s ILE 61 CO 0.06 -0.84 0.00 -0.67 0.00 0.00 0.00 174.94 173.49 2k8s n ASP 62 N 6.67 0.00 0.00 3.58 2.03 0.10 -1.61 116.55 127.32 2k8s n ASP 62 Ca -0.02 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.29 2k8s n ASP 62 Cb 0.47 -0.12 0.00 0.00 -0.72 0.00 0.00 41.12 40.75 2k8s n ASP 62 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2k8s n GLY 63 N -1.12 0.20 3.57 0.27 0.00 -1.26 -4.89 105.19 101.96 2k8s n GLY 63 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 2k8s n GLY 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k8s s ALA 64 N 0.00 3.52 -0.39 4.61 0.00 -0.63 -5.00 121.76 123.86 2k8s s ALA 64 Ca 0.00 -1.12 -0.26 0.00 0.00 0.00 0.00 51.96 50.58 2k8s s ALA 64 Cb 0.00 -2.68 0.02 0.00 0.00 0.00 0.00 23.12 20.46 2k8s s ALA 64 CO 0.00 -0.83 0.95 0.00 0.00 0.00 0.00 175.76 175.89 2k8s s ALA 65 N 1.91 3.36 -0.40 0.00 0.00 -1.26 -0.28 121.76 125.09 2k8s s ALA 65 Ca 0.10 -0.49 -0.11 0.00 0.00 0.00 0.00 51.96 51.46 2k8s s ALA 65 Cb -0.16 -3.60 0.05 0.00 0.00 0.00 0.00 23.12 19.40 2k8s s ALA 65 CO 0.11 -1.74 0.24 -0.06 0.00 0.00 0.00 175.76 174.31 2k8s s PHE 66 N 3.63 3.27 -0.28 0.00 0.08 0.36 -4.89 117.98 120.14 2k8s s PHE 66 Ca 0.39 -1.12 -0.29 0.00 0.12 0.00 0.00 56.93 56.03 2k8s s PHE 66 Cb -0.11 -2.67 0.01 0.00 -0.57 0.00 0.00 43.02 39.68 2k8s s PHE 66 CO 0.21 -0.72 1.10 -1.01 -0.10 0.00 0.00 175.22 174.70 2k8s s HIS 67 N 1.53 3.14 -0.58 0.36 3.76 -1.26 0.17 115.29 122.41 2k8s s HIS 67 Ca 0.02 1.23 -0.16 0.00 -0.15 0.00 0.00 55.06 56.01 2k8s s HIS 67 Cb -0.21 -3.58 0.14 0.00 1.11 0.00 0.00 32.58 30.04 2k8s s HIS 67 CO 0.05 -0.83 0.54 0.42 -0.85 0.00 0.00 174.74 174.07 2k8s s ILE 68 N 3.58 5.23 0.14 0.60 1.01 0.45 -4.82 121.20 127.39 2k8s s ILE 68 Ca 0.47 -1.58 0.00 0.00 0.00 0.00 0.00 60.65 59.53 2k8s s ILE 68 Cb -0.14 -4.36 0.00 0.00 0.01 0.00 0.00 42.46 37.97 2k8s s ILE 68 CO 0.13 -0.90 0.00 0.59 0.00 0.00 0.00 174.94 174.76 2k8s n ASN 69 N 5.17 -6.22 -4.55 3.58 3.02 -1.26 -4.21 115.26 110.79 2k8s n ASN 69 Ca -0.11 0.82 -0.36 0.00 -0.03 0.00 0.00 54.58 54.90 2k8s n ASN 69 Cb 0.41 -3.34 -0.03 0.00 -0.61 0.00 0.00 39.78 36.20 2k8s n ASN 69 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 2k8s s PHE 70 N -0.47 1.87 -0.11 3.10 5.36 -1.26 -4.04 117.98 122.43 2k8s s PHE 70 Ca 0.00 0.47 -0.07 0.00 -0.96 0.00 0.00 56.93 56.37 2k8s s PHE 70 Cb 0.00 -4.22 -0.02 0.00 -0.34 0.00 0.00 43.02 38.43 2k8s s PHE 70 CO 0.00 -2.11 -0.15 0.41 -1.46 0.00 0.00 175.22 171.91 2k8s n GLY 71 N 6.00 -0.87 2.83 13.12 0.00 -0.98 -5.00 105.19 120.30 2k8s n GLY 71 Ca 0.23 -0.14 -0.14 0.00 0.00 0.00 0.00 46.02 45.97 2k8s n GLY 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k8s s ALA 72 N -2.79 0.11 0.33 4.61 0.00 -0.95 -5.02 121.76 118.05 2k8s s ALA 72 Ca -0.12 0.12 -0.00 0.00 0.00 0.00 0.00 51.96 51.96 2k8s s ALA 72 Cb 0.02 -0.15 -0.04 0.00 0.00 0.00 0.00 23.12 22.96 2k8s s ALA 72 CO 0.18 -0.04 0.53 0.20 0.00 0.00 0.00 175.76 176.63 2k8s s GLY 73 N 0.53 1.43 0.42 0.00 0.00 -1.26 -0.21 107.32 108.23 2k8s s GLY 73 Ca -0.05 -0.87 0.10 0.00 0.00 0.00 0.00 44.72 43.91 2k8s s GLY 73 CO -0.01 -0.81 2.02 1.19 0.00 0.00 0.00 173.10 175.49 2k8s h ILE 74 N 0.88 1.11 -0.24 0.90 2.10 -0.95 -1.03 117.51 120.27 2k8s h ILE 74 Ca -0.49 -0.41 -0.03 0.00 1.08 0.00 0.00 64.86 65.01 2k8s h ILE 74 Cb 1.21 0.93 -0.01 0.00 -1.09 0.00 0.00 36.82 37.86 2k8s h ILE 74 CO 0.62 0.14 0.01 0.44 -1.08 0.00 0.00 178.15 178.28 2k8s h ASP 75 N 0.28 0.33 0.05 2.19 5.19 -1.93 0.18 116.42 122.71 2k8s h ASP 75 Ca 0.07 -0.05 -0.20 0.00 -0.62 0.00 0.00 57.03 56.23 2k8s h ASP 75 Cb 0.14 -0.08 0.02 0.00 0.18 0.00 0.00 39.33 39.59 2k8s h ASP 75 CO -0.00 0.38 -0.83 -0.78 -3.12 0.00 0.00 179.24 174.89 2k8s h ASP 76 N 0.35 0.64 1.20 6.45 3.58 -1.60 -2.53 116.42 124.51 2k8s h ASP 76 Ca 0.08 -0.81 -0.10 0.00 0.42 0.00 0.00 57.03 56.62 2k8s h ASP 76 Cb 0.23 -0.20 -0.01 0.00 1.72 0.00 0.00 39.33 41.06 2k8s h ASP 76 CO 0.00 1.37 -0.47 -0.07 -2.88 0.00 0.00 179.24 177.20 2k8s h LEU 77 N -0.02 0.00 -3.30 2.28 3.38 -1.15 -3.13 115.31 113.36 2k8s h LEU 77 Ca -0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.85 2k8s h LEU 77 Cb 1.55 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.30 2k8s h LEU 77 CO 0.16 0.47 0.00 1.17 0.09 0.00 0.00 178.44 180.33 2k8s n LYS 78 N -3.35 3.48 -2.04 1.13 4.81 0.61 -5.00 118.16 117.81 2k8s n LYS 78 Ca 0.01 -2.88 -0.29 0.00 -0.87 0.00 0.00 58.31 54.29 2k8s n LYS 78 Cb 0.65 -1.92 0.06 0.00 0.02 0.00 0.00 35.03 33.84 2k8s n LYS 78 CO 0.00 0.00 0.00 0.20 1.17 0.00 0.00 177.40 178.77 2k8s s GLY 79 N -1.52 1.62 0.00 3.14 0.00 -0.95 -4.96 107.32 104.65 2k8s s GLY 79 Ca 0.45 -0.56 0.30 0.00 0.00 0.00 0.00 44.72 44.91 2k8s s GLY 79 CO 0.12 -0.18 2.03 1.44 0.00 0.00 0.00 173.10 176.51