#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 3.61 0.22 3.52 0.00 -1.26 -5.06 121.76 122.80 2k8s s ALA 2 Ca 0.00 -0.02 -0.30 0.00 0.00 0.00 0.00 51.96 51.64 2k8s s ALA 2 Cb 0.00 -2.58 -0.08 0.00 0.00 0.00 0.00 23.12 20.46 2k8s s ALA 2 CO 0.00 0.42 1.06 -1.12 0.00 0.00 0.00 175.76 176.12 2k8s s SER 3 N -1.11 7.35 -0.48 0.00 0.01 -1.26 -4.67 113.70 113.54 2k8s s SER 3 Ca 0.28 2.11 -0.24 0.00 1.31 0.00 0.00 55.95 59.41 2k8s s SER 3 Cb -0.19 -2.61 0.03 0.00 0.21 0.00 0.00 66.02 63.46 2k8s s SER 3 CO 0.18 -0.11 0.86 -0.75 0.41 0.00 0.00 173.24 173.82 2k8s s LYS 4 N -0.90 3.42 -0.56 12.44 2.20 -1.26 -2.19 119.74 132.89 2k8s s LYS 4 Ca 0.46 -0.08 -0.23 0.00 -0.36 0.00 0.00 55.97 55.76 2k8s s LYS 4 Cb -0.29 -3.96 0.05 0.00 -1.51 0.00 0.00 37.83 32.11 2k8s s LYS 4 CO 0.36 -1.24 0.91 0.00 -0.36 0.00 0.00 175.35 175.02 2k8s s ALA 5 N 3.57 3.18 -0.23 3.13 0.00 0.10 0.33 121.76 131.84 2k8s s ALA 5 Ca 0.32 -1.37 -0.15 0.00 0.00 0.00 0.00 51.96 50.76 2k8s s ALA 5 Cb -0.12 -3.71 -0.04 0.00 0.00 0.00 0.00 23.12 19.26 2k8s s ALA 5 CO 0.23 -2.39 0.37 0.42 0.00 0.00 0.00 175.76 174.39 2k8s s ILE 6 N 3.81 5.20 -0.45 0.00 -1.09 0.15 0.05 121.20 128.88 2k8s s ILE 6 Ca 0.28 0.61 -0.12 0.00 -2.23 0.00 0.00 60.65 59.19 2k8s s ILE 6 Cb -0.14 -3.70 0.08 0.00 -1.58 0.00 0.00 42.46 37.12 2k8s s ILE 6 CO 0.17 0.22 0.32 0.12 -1.23 0.00 0.00 174.94 174.55 2k8s s PHE 7 N 1.58 3.31 -0.14 3.97 5.36 0.61 0.42 117.98 133.09 2k8s s PHE 7 Ca 0.17 -1.33 -0.21 0.00 -0.96 0.00 0.00 56.93 54.60 2k8s s PHE 7 Cb -0.15 -3.11 -0.03 0.00 -0.34 0.00 0.00 43.02 39.39 2k8s s PHE 7 CO 0.08 -0.85 0.59 0.71 -1.46 0.00 0.00 175.22 174.30 2k8s s TYR 8 N 1.50 3.47 0.34 10.12 2.02 -0.84 0.19 117.35 134.16 2k8s s TYR 8 Ca 0.04 0.99 0.06 0.00 -0.37 0.00 0.00 57.07 57.79 2k8s s TYR 8 Cb -0.24 -2.72 -0.02 0.00 -0.40 0.00 0.00 41.96 38.58 2k8s s TYR 8 CO 0.03 0.01 0.33 -2.39 -1.57 0.00 0.00 175.55 171.96 2k8s n HIS 9 N 4.26 -0.94 -1.90 2.71 1.44 -0.60 -1.62 115.22 118.58 2k8s n HIS 9 Ca -0.03 -2.80 0.01 0.00 -2.01 0.00 0.00 57.72 52.89 2k8s n HIS 9 Cb 0.51 0.35 0.01 0.00 0.12 0.00 0.00 29.99 30.98 2k8s n HIS 9 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2k8s n ALA 10 N -0.65 2.00 0.00 1.59 0.00 -1.26 -0.81 120.51 121.37 2k8s n ALA 10 Ca -0.12 -1.12 0.00 0.00 0.00 0.00 0.00 53.44 52.20 2k8s n ALA 10 Cb 0.62 -0.48 0.00 0.00 0.00 0.00 0.00 19.45 19.59 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 -0.12 2.64 3.62 0.00 0.00 -1.26 -4.71 105.19 105.37 2k8s n GLY 11 Ca 0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.66 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 0.52 0.00 -0.37 0.00 0.11 -2.01 0.39 132.00 130.64 2k8s h PRO 13 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2k8s h PRO 13 Cb 1.36 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.45 2k8s h PRO 13 CO 0.51 0.00 0.24 0.28 -0.21 0.00 0.00 178.00 178.82 2k8s h VAL 14 N 0.00 1.09 -0.57 3.15 2.07 -1.98 -2.85 116.25 117.16 2k8s h VAL 14 Ca 0.12 -0.17 -0.04 0.00 0.82 0.00 0.00 66.70 67.43 2k8s h VAL 14 Cb 0.68 0.55 -0.02 0.00 -1.52 0.00 0.00 31.29 30.98 2k8s h VAL 14 CO -0.00 0.09 0.21 0.00 0.02 0.00 0.00 177.57 177.89 2k8s h VAL 16 N 0.79 0.97 -0.93 0.00 2.07 -1.62 0.18 116.25 117.70 2k8s h VAL 16 Ca 0.19 -0.06 -0.00 0.00 0.82 0.00 0.00 66.70 67.64 2k8s h VAL 16 Cb 0.24 0.77 -0.05 0.00 -1.52 0.00 0.00 31.29 30.73 2k8s h VAL 16 CO -0.01 0.03 0.57 0.28 0.02 0.00 0.00 177.57 178.46 2k8s h SER 17 N 0.18 1.12 -0.03 0.57 0.02 -1.53 -0.23 113.55 113.64 2k8s h SER 17 Ca 0.08 -0.06 -0.17 0.00 -0.84 0.00 0.00 61.79 60.81 2k8s h SER 17 Cb 0.04 -0.28 -0.00 0.00 0.14 0.00 0.00 62.40 62.30 2k8s h SER 17 CO -0.08 0.85 -0.55 0.00 -1.14 0.00 0.00 176.83 175.91 2k8s h ALA 18 N 1.31 0.65 -0.03 3.77 0.00 -0.91 -2.28 119.26 121.77 2k8s h ALA 18 Ca 0.34 -0.51 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 2k8s h ALA 18 Cb -0.07 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 2k8s h ALA 18 CO -0.06 0.69 -0.00 1.49 0.00 0.00 0.00 179.25 181.36 2k8s h GLU 19 N 0.47 0.06 0.00 0.00 4.81 -0.17 0.21 114.58 119.97 2k8s h GLU 19 Ca 0.01 -0.02 -0.07 0.00 -0.13 0.00 0.00 59.36 59.15 2k8s h GLU 19 Cb 1.10 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.47 2k8s h GLU 19 CO 0.11 0.38 -0.32 1.96 -0.73 0.00 0.00 179.01 180.41 2k8s h GLN 20 N -0.26 0.00 0.00 1.92 4.20 -1.07 -2.22 115.11 117.68 2k8s h GLN 20 Ca 0.01 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.72 2k8s h GLN 20 Cb 0.35 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.13 2k8s h GLN 20 CO 0.00 0.32 0.00 0.00 -0.67 0.00 0.00 178.83 178.48 2k8s n ALA 21 N -2.42 0.00 0.07 3.87 0.00 -0.86 -4.32 120.51 116.85 2k8s n ALA 21 Ca -0.02 -0.18 -0.13 0.00 0.00 0.00 0.00 53.44 53.11 2k8s n ALA 21 Cb 0.38 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.74 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 0.00 1.01 0.00 0.00 2.07 -0.78 -0.56 116.25 117.99 2k8s h VAL 22 Ca 0.00 -0.72 0.00 0.00 0.82 0.00 0.00 66.70 66.80 2k8s h VAL 22 Cb 0.00 1.45 0.00 0.00 -1.52 0.00 0.00 31.29 31.22 2k8s h VAL 22 CO 0.00 0.17 0.00 0.00 0.02 0.00 0.00 177.57 177.76 2k8s n ALA 23 N -2.36 2.05 0.41 1.67 0.00 -0.65 -1.47 120.51 120.16 2k8s n ALA 23 Ca -0.09 -0.10 0.06 0.00 0.00 0.00 0.00 53.44 53.32 2k8s n ALA 23 Cb 0.22 -1.32 -0.08 0.00 0.00 0.00 0.00 19.45 18.28 2k8s n ALA 23 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2k8s n ASN 24 N -1.25 1.00 0.07 0.00 5.15 -0.86 -4.42 115.26 114.95 2k8s n ASN 24 Ca 0.10 -0.57 -0.03 0.00 -0.60 0.00 0.00 54.58 53.48 2k8s n ASN 24 Cb 0.14 1.15 -0.07 0.00 -0.53 0.00 0.00 39.78 40.48 2k8s n ASN 24 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2k8s h ALA 25 N 1.55 0.58 -2.72 5.20 0.00 0.05 -3.45 119.26 120.47 2k8s h ALA 25 Ca 0.00 -0.83 -0.51 0.00 0.00 0.00 0.00 54.91 53.56 2k8s h ALA 25 Cb 0.36 0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.22 2k8s h ALA 25 CO 0.00 1.03 0.49 0.42 0.00 0.00 0.00 179.25 181.19 2k8s s ILE 26 N -2.82 3.64 -0.23 0.00 1.01 -1.06 -5.00 121.20 116.75 2k8s s ILE 26 Ca 0.00 1.49 -0.29 0.00 0.00 0.00 0.00 60.65 61.86 2k8s s ILE 26 Cb 0.09 -3.95 0.01 0.00 0.01 0.00 0.00 42.46 38.61 2k8s s ILE 26 CO 0.79 0.30 1.04 -0.62 0.00 0.00 0.00 174.94 176.45 2k8s s ASP 27 N -0.37 7.10 0.59 3.58 -1.08 -1.26 -4.92 116.67 120.31 2k8s s ASP 27 Ca 0.48 1.38 0.32 0.00 -0.52 0.00 0.00 52.55 54.21 2k8s s ASP 27 Cb -0.31 -2.54 1.85 0.00 -1.46 0.00 0.00 42.92 40.46 2k8s s ASP 27 CO 0.38 -0.66 2.24 -0.65 0.52 0.00 0.00 175.17 177.00 2k8s h PRO 28 N 7.44 0.00 0.00 4.34 0.11 -1.95 0.13 132.00 142.07 2k8s h PRO 28 Ca -0.19 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.92 2k8s h PRO 28 Cb 1.06 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.17 2k8s h PRO 28 CO 0.97 0.02 -1.08 0.43 -0.21 0.00 0.00 178.00 178.13 2k8s n SER 29 N -3.68 0.60 -0.03 -2.05 7.64 -1.26 -4.17 113.62 110.66 2k8s n SER 29 Ca -0.03 -0.15 -0.21 0.00 1.01 0.00 0.00 58.87 59.49 2k8s n SER 29 Cb 0.11 0.83 -0.13 0.00 -1.01 0.00 0.00 64.21 64.01 2k8s n SER 29 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 2k8s h LYS 30 N 0.00 0.15 -4.29 1.43 3.64 -1.51 -3.47 116.57 112.51 2k8s h LYS 30 Ca 0.00 -0.25 -0.36 0.00 -1.27 0.00 0.00 60.65 58.77 2k8s h LYS 30 Cb 0.77 0.09 -0.30 0.00 -0.41 0.00 0.00 32.23 32.38 2k8s h LYS 30 CO 0.00 1.12 -0.76 0.71 -2.27 0.00 0.00 179.45 178.25 2k8s s TYR 31 N -2.42 0.59 -0.58 1.91 2.02 0.29 -4.51 117.35 114.65 2k8s s TYR 31 Ca -0.22 -0.12 -0.28 0.00 -0.37 0.00 0.00 57.07 56.08 2k8s s TYR 31 Cb 0.04 -0.43 0.02 0.00 -0.40 0.00 0.00 41.96 41.19 2k8s s TYR 31 CO 0.71 -0.06 1.30 0.99 -1.57 0.00 0.00 175.55 176.92 2k8s s THR 32 N 0.16 3.90 0.07 -0.71 2.01 -0.93 -4.18 115.64 115.95 2k8s s THR 32 Ca -0.02 0.78 -0.23 0.00 0.31 0.00 0.00 61.69 62.53 2k8s s THR 32 Cb -0.06 -4.61 -0.06 0.00 0.01 0.00 0.00 72.50 67.78 2k8s s THR 32 CO -0.00 -1.30 0.68 -0.69 -0.69 0.00 0.00 174.62 172.62 2k8s s VAL 33 N 5.48 4.70 -0.04 3.82 1.01 -1.26 0.03 120.40 134.13 2k8s s VAL 33 Ca 0.47 1.45 -0.01 0.00 0.00 0.00 0.00 61.98 63.88 2k8s s VAL 33 Cb -0.09 -4.02 0.03 0.00 0.00 0.00 0.00 36.38 32.30 2k8s s VAL 33 CO 0.25 0.46 0.04 -0.70 0.00 0.00 0.00 175.10 175.15 2k8s s GLU 34 N -0.59 0.10 -0.21 2.72 2.12 0.11 -4.91 118.70 118.05 2k8s s GLU 34 Ca 0.34 0.28 -0.15 0.00 0.36 0.00 0.00 54.97 55.79 2k8s s GLU 34 Cb -0.20 -0.57 -0.04 0.00 0.26 0.00 0.00 34.13 33.57 2k8s s GLU 34 CO 0.21 -0.29 0.35 0.42 -0.54 0.00 0.00 175.26 175.42 2k8s s ILE 35 N 1.90 5.23 -0.22 -3.70 1.01 -1.26 -0.28 121.20 123.88 2k8s s ILE 35 Ca 0.02 0.61 0.02 0.00 0.00 0.00 0.00 60.65 61.30 2k8s s ILE 35 Cb -0.12 -3.69 0.04 0.00 0.01 0.00 0.00 42.46 38.70 2k8s s ILE 35 CO -0.03 0.27 -0.15 -0.69 0.00 0.00 0.00 174.94 174.34 2k8s s VAL 36 N 1.24 2.16 -0.40 2.92 1.01 0.13 -4.91 120.40 122.55 2k8s s VAL 36 Ca 0.17 -1.27 -0.22 0.00 0.00 0.00 0.00 61.98 60.66 2k8s s VAL 36 Cb -0.14 -2.09 0.01 0.00 0.00 0.00 0.00 36.38 34.16 2k8s s VAL 36 CO 0.07 0.25 0.73 -2.28 0.00 0.00 0.00 175.10 173.87 2k8s s HIS 37 N 1.20 3.08 -2.22 5.22 2.46 -1.26 -1.56 115.29 122.21 2k8s s HIS 37 Ca -0.02 0.29 0.25 0.00 0.47 0.00 0.00 55.06 56.05 2k8s s HIS 37 Cb -0.17 -3.41 1.15 0.00 -0.13 0.00 0.00 32.58 30.02 2k8s s HIS 37 CO -0.09 -0.81 1.78 1.28 -2.47 0.00 0.00 174.74 174.43 2k8s n LEU 38 N 6.40 0.89 0.22 8.88 4.77 0.01 -3.36 117.00 134.81 2k8s n LEU 38 Ca 0.01 -0.34 0.13 0.00 -0.03 0.00 0.00 56.01 55.78 2k8s n LEU 38 Cb 0.48 -0.03 0.26 0.00 -2.33 0.00 0.00 43.42 41.80 2k8s n LEU 38 CO 0.54 0.17 0.84 1.23 -1.33 0.00 0.00 177.39 178.84 2k8s h GLY 39 N 5.06 0.00 0.00 -0.72 0.00 -1.84 -3.39 103.07 102.18 2k8s h GLY 39 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2k8s h GLY 39 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 176.54 175.24 2k8s n THR 40 N -3.03 0.00 -2.79 4.70 -2.24 -1.21 -4.78 114.28 104.93 2k8s n THR 40 Ca 0.04 0.24 -0.43 0.00 -2.27 0.00 0.00 64.05 61.63 2k8s n THR 40 Cb 0.49 -0.82 -0.04 0.00 -2.10 0.00 0.00 70.33 67.86 2k8s n THR 40 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2k8s s ASP 41 N -2.06 6.34 0.52 3.42 1.11 -1.26 -4.86 116.67 119.88 2k8s s ASP 41 Ca 0.00 -0.33 0.28 0.00 0.18 0.00 0.00 52.55 52.69 2k8s s ASP 41 Cb 0.00 -2.46 1.43 0.00 1.07 0.00 0.00 42.92 42.96 2k8s s ASP 41 CO 0.00 -1.31 2.05 0.50 1.18 0.00 0.00 175.17 177.59 2k8s h LYS 42 N 9.40 0.00 0.00 8.23 3.64 -1.86 -1.61 116.57 134.36 2k8s h LYS 42 Ca -0.26 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.07 2k8s h LYS 42 Cb 1.07 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.88 2k8s h LYS 42 CO 1.12 0.12 -0.24 0.00 -2.27 0.00 0.00 179.45 178.18 2k8s h ALA 43 N 1.88 1.27 0.00 5.00 0.00 -1.93 -2.49 119.26 122.99 2k8s h ALA 43 Ca -0.00 -0.22 -0.08 0.00 0.00 0.00 0.00 54.91 54.62 2k8s h ALA 43 Cb 0.38 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2k8s h ALA 43 CO 0.02 0.30 -0.36 0.00 0.00 0.00 0.00 179.25 179.21 2k8s h ARG 44 N 0.00 0.00 -0.73 0.00 2.47 -1.66 -3.03 114.38 111.43 2k8s h ARG 44 Ca -0.00 0.00 0.03 0.00 -1.26 0.00 0.00 59.98 58.75 2k8s h ARG 44 Cb 0.55 0.00 -0.05 0.00 -1.65 0.00 0.00 29.97 28.82 2k8s h ARG 44 CO 0.03 0.36 0.46 0.82 0.56 0.00 0.00 179.97 182.20 2k8s h ILE 45 N 0.00 1.10 -0.71 2.04 2.04 -1.51 0.17 117.51 120.65 2k8s h ILE 45 Ca -0.00 -0.31 -0.04 0.00 1.00 0.00 0.00 64.86 65.50 2k8s h ILE 45 Cb 0.86 0.12 -0.03 0.00 -0.74 0.00 0.00 36.82 37.03 2k8s h ILE 45 CO 0.05 0.16 0.27 0.00 0.00 0.00 0.00 178.15 178.63 2k8s h ALA 46 N 1.31 0.92 -0.34 1.87 0.00 -1.64 -0.93 119.26 120.44 2k8s h ALA 46 Ca 0.29 -0.19 -0.12 0.00 0.00 0.00 0.00 54.91 54.89 2k8s h ALA 46 Cb 0.02 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 2k8s h ALA 46 CO -0.11 0.56 -0.27 0.93 0.00 0.00 0.00 179.25 180.36 2k8s h GLU 47 N 1.02 0.71 -0.81 0.00 4.39 -1.40 -1.69 114.58 116.80 2k8s h GLU 47 Ca 0.23 -0.30 -0.04 0.00 0.34 0.00 0.00 59.36 59.59 2k8s h GLU 47 Cb 0.23 -0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 28.82 2k8s h GLU 47 CO -0.02 0.90 0.34 0.00 -1.16 0.00 0.00 179.01 179.07 2k8s h ALA 48 N 1.09 1.06 -0.73 3.43 0.00 -0.31 -0.12 119.26 123.69 2k8s h ALA 48 Ca 0.08 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 2k8s h ALA 48 Cb 0.77 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 2k8s h ALA 48 CO 0.06 0.67 0.21 1.49 0.00 0.00 0.00 179.25 181.69 2k8s h GLU 49 N 1.18 1.14 -0.34 0.00 4.81 -0.85 0.11 114.58 120.64 2k8s h GLU 49 Ca 0.27 -0.25 -0.08 0.00 -0.13 0.00 0.00 59.36 59.18 2k8s h GLU 49 Cb 0.20 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.40 2k8s h GLU 49 CO -0.02 0.97 -0.12 0.87 -0.73 0.00 0.00 179.01 179.98 2k8s h LYS 50 N 1.09 0.59 0.00 1.92 1.57 -0.88 -2.86 116.57 118.00 2k8s h LYS 50 Ca 0.23 -0.18 -0.11 0.00 -1.87 0.00 0.00 60.65 58.73 2k8s h LYS 50 Cb 0.32 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.56 2k8s h LYS 50 CO -0.01 0.69 -0.52 0.00 -0.57 0.00 0.00 179.45 179.05 2k8s h ALA 51 N 1.34 1.11 0.00 3.86 0.00 -0.39 -3.47 119.26 121.72 2k8s h ALA 51 Ca 0.10 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.53 2k8s h ALA 51 Cb 0.52 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.23 2k8s h ALA 51 CO 0.03 0.65 0.00 0.41 0.00 0.00 0.00 179.25 180.34 2k8s n GLY 52 N 0.01 1.80 3.54 0.00 0.00 -0.55 -4.88 105.19 105.11 2k8s n GLY 52 Ca -0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.58 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 4.33 -0.20 1.61 1.01 0.29 -4.77 120.40 120.67 2k8s s VAL 53 Ca 0.00 0.44 0.19 0.00 0.00 0.00 0.00 61.98 62.62 2k8s s VAL 53 Cb 0.00 -4.56 -0.02 0.00 0.00 0.00 0.00 36.38 31.80 2k8s s VAL 53 CO 0.00 -1.12 1.05 0.11 0.00 0.00 0.00 175.10 175.13 2k8s h LYS 54 N 9.33 0.00 -2.86 2.72 1.57 -1.92 -3.37 116.57 122.03 2k8s h LYS 54 Ca -0.26 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.42 2k8s h LYS 54 Cb 1.07 0.00 -0.19 0.00 0.08 0.00 0.00 32.23 33.19 2k8s h LYS 54 CO 1.10 0.17 -0.18 -1.12 -0.57 0.00 0.00 179.45 178.85 2k8s s SER 55 N -5.73 -0.28 0.25 0.86 0.01 -1.26 -2.47 113.70 105.08 2k8s s SER 55 Ca -0.00 0.18 0.00 0.00 1.31 0.00 0.00 55.95 57.43 2k8s s SER 55 Cb 0.09 0.36 0.00 0.00 0.21 0.00 0.00 66.02 66.68 2k8s s SER 55 CO 0.78 -0.50 0.00 1.33 0.41 0.00 0.00 173.24 175.26 2k8s n VAL 56 N 1.12 0.00 -0.24 3.43 0.24 0.16 -4.48 118.33 118.56 2k8s n VAL 56 Ca -0.21 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.09 2k8s n VAL 56 Cb 0.57 -1.76 0.00 0.00 -1.47 0.00 0.00 33.84 31.18 2k8s n VAL 56 CO 0.00 0.00 0.00 -2.65 -2.14 0.00 0.00 176.83 172.04 2k8s n PRO 57 N -0.33 0.00 -3.84 7.34 -0.02 -1.10 -2.79 135.00 134.25 2k8s n PRO 57 Ca 0.00 0.00 -0.10 0.00 -2.02 0.00 0.00 63.50 61.38 2k8s n PRO 57 Cb 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 33.50 33.42 2k8s n PRO 57 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2k8s s ALA 58 N 0.00 -0.44 -0.19 3.55 0.00 -0.64 -2.20 121.76 121.84 2k8s s ALA 58 Ca 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 51.96 51.42 2k8s s ALA 58 Cb 0.00 0.80 0.02 0.00 0.00 0.00 0.00 23.12 23.94 2k8s s ALA 58 CO 0.00 -0.69 -0.17 -1.17 0.00 0.00 0.00 175.76 173.74 2k8s s LEU 59 N -2.91 2.32 -0.40 0.00 2.96 0.15 -1.98 118.68 118.83 2k8s s LEU 59 Ca 0.12 -0.64 -0.13 0.00 -0.22 0.00 0.00 54.13 53.26 2k8s s LEU 59 Cb 0.02 -1.53 0.03 0.00 0.50 0.00 0.00 46.19 45.21 2k8s s LEU 59 CO -0.03 -0.01 0.25 -0.69 -1.32 0.00 0.00 176.35 174.55 2k8s s VAL 60 N 1.31 4.83 -0.74 1.68 1.01 0.17 -0.29 120.40 128.37 2k8s s VAL 60 Ca 0.05 -0.84 -0.20 0.00 0.00 0.00 0.00 61.98 60.99 2k8s s VAL 60 Cb -0.14 -3.72 0.10 0.00 0.00 0.00 0.00 36.38 32.63 2k8s s VAL 60 CO -0.11 -0.30 0.95 -0.63 0.00 0.00 0.00 175.10 175.02 2k8s s ILE 61 N 1.60 4.62 -1.94 2.22 -1.09 0.14 0.33 121.20 127.07 2k8s s ILE 61 Ca 0.03 -1.01 0.00 0.00 -2.23 0.00 0.00 60.65 57.44 2k8s s ILE 61 Cb -0.20 -4.67 0.00 0.00 -1.58 0.00 0.00 42.46 36.02 2k8s s ILE 61 CO 0.08 -1.39 0.00 -0.67 -1.23 0.00 0.00 174.94 171.73 2k8s n ASP 62 N 6.85 -5.49 0.00 3.58 2.03 0.15 -1.52 116.55 122.15 2k8s n ASP 62 Ca 0.05 0.27 0.00 0.00 0.52 0.00 0.00 54.79 55.63 2k8s n ASP 62 Cb 0.46 -4.73 0.00 0.00 -0.72 0.00 0.00 41.12 36.13 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 -0.66 1.43 3.58 0.27 0.00 -1.26 -4.86 105.19 103.69 2k8s n GLY 63 Ca -0.22 -0.20 -0.43 0.00 0.00 0.00 0.00 46.02 45.17 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 -0.48 3.31 -0.39 4.61 0.00 -0.57 -4.93 121.76 123.30 2k8s s ALA 64 Ca 0.00 -0.69 -0.22 0.00 0.00 0.00 0.00 51.96 51.05 2k8s s ALA 64 Cb 0.00 -3.57 0.01 0.00 0.00 0.00 0.00 23.12 19.56 2k8s s ALA 64 CO 0.00 -1.86 0.72 0.00 0.00 0.00 0.00 175.76 174.62 2k8s s ALA 65 N 3.58 3.40 -0.15 0.00 0.00 -1.26 0.25 121.76 127.57 2k8s s ALA 65 Ca 0.36 -0.86 -0.01 0.00 0.00 0.00 0.00 51.96 51.45 2k8s s ALA 65 Cb -0.11 -3.32 -0.01 0.00 0.00 0.00 0.00 23.12 19.68 2k8s s ALA 65 CO 0.23 -1.57 -0.11 -0.06 0.00 0.00 0.00 175.76 174.25 2k8s s PHE 66 N 2.98 2.86 0.15 0.00 0.08 0.60 -4.95 117.98 119.70 2k8s s PHE 66 Ca 0.28 -0.65 -0.30 0.00 0.12 0.00 0.00 56.93 56.37 2k8s s PHE 66 Cb -0.13 -1.89 -0.07 0.00 -0.57 0.00 0.00 43.02 40.35 2k8s s PHE 66 CO 0.18 -0.24 1.02 -1.01 -0.10 0.00 0.00 175.22 175.06 2k8s s HIS 67 N 0.51 3.74 -0.48 0.36 3.76 -1.26 0.34 115.29 122.27 2k8s s HIS 67 Ca -0.08 1.73 -0.12 0.00 -0.15 0.00 0.00 55.06 56.44 2k8s s HIS 67 Cb -0.15 -3.14 0.11 0.00 1.11 0.00 0.00 32.58 30.51 2k8s s HIS 67 CO 0.04 -0.10 0.38 0.42 -0.85 0.00 0.00 174.74 174.63 2k8s s ILE 68 N -0.23 4.68 0.00 0.60 1.01 -0.94 -4.84 121.20 121.48 2k8s s ILE 68 Ca 0.47 -1.50 0.00 0.00 0.00 0.00 0.00 60.65 59.62 2k8s s ILE 68 Cb -0.26 -3.96 0.00 0.00 0.01 0.00 0.00 42.46 38.25 2k8s s ILE 68 CO 0.32 -0.72 0.00 0.59 0.00 0.00 0.00 174.94 175.13 2k8s n ASN 69 N 5.06 -2.84 -4.20 3.58 3.02 -1.26 -4.05 115.26 114.58 2k8s n ASN 69 Ca -0.11 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.03 2k8s n ASN 69 Cb 0.41 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.53 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 0.00 3.62 0.00 3.10 5.36 -1.26 -4.97 117.98 123.83 2k8s s PHE 70 Ca 0.00 -2.47 0.00 0.00 -0.96 0.00 0.00 56.93 53.50 2k8s s PHE 70 Cb 0.00 -3.47 0.00 0.00 -0.34 0.00 0.00 43.02 39.21 2k8s s PHE 70 CO 0.00 -0.89 0.00 0.41 -1.46 0.00 0.00 175.22 173.28 2k8s n GLY 71 N 3.52 -0.67 2.90 13.12 0.00 -1.22 -4.98 105.19 117.86 2k8s n GLY 71 Ca 0.12 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.03 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 -2.84 0.04 0.24 4.61 0.00 -1.12 -4.87 121.76 117.82 2k8s s ALA 72 Ca 0.00 -0.17 -0.30 0.00 0.00 0.00 0.00 51.96 51.49 2k8s s ALA 72 Cb 0.00 0.04 -0.09 0.00 0.00 0.00 0.00 23.12 23.07 2k8s s ALA 72 CO 0.00 -0.04 1.20 0.20 0.00 0.00 0.00 175.76 177.12 2k8s s GLY 73 N -0.41 2.81 0.48 0.00 0.00 -1.26 0.40 107.32 109.33 2k8s s GLY 73 Ca -0.04 1.00 0.26 0.00 0.00 0.00 0.00 44.72 45.93 2k8s s GLY 73 CO -0.00 1.79 1.93 1.19 0.00 0.00 0.00 173.10 178.01 2k8s h ILE 74 N 3.45 0.56 0.00 0.90 2.10 -1.82 -1.44 117.51 121.27 2k8s h ILE 74 Ca -0.46 -0.87 -0.15 0.00 1.08 0.00 0.00 64.86 64.46 2k8s h ILE 74 Cb 1.21 1.58 -0.02 0.00 -1.09 0.00 0.00 36.82 38.51 2k8s h ILE 74 CO 0.71 0.18 -0.70 -0.78 -1.08 0.00 0.00 178.15 176.48 2k8s h ASP 75 N 0.00 0.00 0.48 2.19 3.58 -1.91 -3.15 116.42 117.61 2k8s h ASP 75 Ca -0.00 0.00 -0.16 0.00 0.42 0.00 0.00 57.03 57.29 2k8s h ASP 75 Cb 0.57 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.61 2k8s h ASP 75 CO 0.02 0.70 -0.70 0.44 -2.88 0.00 0.00 179.24 176.82 2k8s h ASP 76 N 0.00 0.23 -0.67 2.28 5.19 -1.67 -2.98 116.42 118.81 2k8s h ASP 76 Ca -0.01 -0.15 0.04 0.00 -0.62 0.00 0.00 57.03 56.29 2k8s h ASP 76 Cb 1.42 -0.07 -0.04 0.00 0.18 0.00 0.00 39.33 40.82 2k8s h ASP 76 CO 0.09 0.86 0.44 -0.07 -3.12 0.00 0.00 179.24 177.44 2k8s h LEU 77 N 0.13 0.65 -7.94 1.55 3.38 -1.35 -3.27 115.31 108.47 2k8s h LEU 77 Ca -0.02 -0.00 -0.66 0.00 0.09 0.00 0.00 57.88 57.28 2k8s h LEU 77 Cb 1.25 -0.15 -0.11 0.00 0.09 0.00 0.00 40.66 41.74 2k8s h LEU 77 CO 0.11 0.44 1.65 -0.54 0.09 0.00 0.00 178.44 180.19 2k8s s LYS 78 N -5.66 3.82 -0.28 1.13 1.02 -1.12 -4.90 119.74 113.75 2k8s s LYS 78 Ca -0.10 -1.76 -0.21 0.00 0.02 0.00 0.00 55.97 53.93 2k8s s LYS 78 Cb 0.19 -5.32 0.09 0.00 -0.52 0.00 0.00 37.83 32.27 2k8s s LYS 78 CO 0.76 -2.10 0.80 0.20 -0.92 0.00 0.00 175.35 174.10 2k8s s GLY 79 N 4.19 -0.43 0.00 -3.33 0.00 -1.24 -4.98 107.32 101.54 2k8s s GLY 79 Ca 0.47 2.45 0.03 0.00 0.00 0.00 0.00 44.72 47.66 2k8s s GLY 79 CO -0.02 2.11 0.59 1.44 0.00 0.00 0.00 173.10 177.22