#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 1.80 0.78 3.52 0.00 -1.26 -5.10 121.76 121.51 2k8s s ALA 2 Ca 0.00 -0.78 0.00 0.00 0.00 0.00 0.00 51.96 51.18 2k8s s ALA 2 Cb 0.00 -0.81 0.00 0.00 0.00 0.00 0.00 23.12 22.31 2k8s s ALA 2 CO 0.00 0.03 0.00 -1.13 0.00 0.00 0.00 175.76 174.66 2k8s n SER 3 N 3.98 0.00 -4.41 0.00 3.41 -1.26 -4.64 113.62 110.70 2k8s n SER 3 Ca -0.20 -0.06 -0.27 0.00 -0.26 0.00 0.00 58.87 58.08 2k8s n SER 3 Cb 0.52 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 64.35 2k8s n SER 3 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 2k8s s LYS 4 N 0.43 1.47 -0.13 4.33 -2.85 -1.26 0.07 119.74 121.79 2k8s s LYS 4 Ca 0.00 -1.48 -0.01 0.00 -1.00 0.00 0.00 55.97 53.48 2k8s s LYS 4 Cb 0.00 -1.79 0.04 0.00 -2.06 0.00 0.00 37.83 34.02 2k8s s LYS 4 CO 0.00 0.39 -0.02 0.00 0.10 0.00 0.00 175.35 175.82 2k8s s ALA 5 N -1.62 1.12 -0.28 0.59 0.00 0.10 -1.22 121.76 120.45 2k8s s ALA 5 Ca 0.19 -0.55 -0.10 0.00 0.00 0.00 0.00 51.96 51.50 2k8s s ALA 5 Cb -0.08 -0.99 -0.03 0.00 0.00 0.00 0.00 23.12 22.02 2k8s s ALA 5 CO 0.09 -0.71 0.15 0.42 0.00 0.00 0.00 175.76 175.71 2k8s s ILE 6 N 1.79 4.86 -0.36 0.00 1.01 0.13 -0.50 121.20 128.13 2k8s s ILE 6 Ca 0.02 -0.10 -0.16 0.00 0.00 0.00 0.00 60.65 60.41 2k8s s ILE 6 Cb -0.14 -3.36 -0.00 0.00 0.01 0.00 0.00 42.46 38.96 2k8s s ILE 6 CO -0.07 0.21 0.38 0.12 0.00 0.00 0.00 174.94 175.57 2k8s s PHE 7 N 1.68 3.20 -0.20 3.97 5.36 0.13 0.33 117.98 132.45 2k8s s PHE 7 Ca 0.06 -0.11 -0.09 0.00 -0.96 0.00 0.00 56.93 55.83 2k8s s PHE 7 Cb -0.16 -2.72 -0.05 0.00 -0.34 0.00 0.00 43.02 39.75 2k8s s PHE 7 CO 0.08 -0.49 0.11 0.71 -1.46 0.00 0.00 175.22 174.17 2k8s s TYR 8 N 2.04 3.33 0.34 10.12 2.02 0.92 -0.61 117.35 135.51 2k8s s TYR 8 Ca 0.12 0.20 -0.04 0.00 -0.37 0.00 0.00 57.07 56.98 2k8s s TYR 8 Cb -0.17 -2.16 0.01 0.00 -0.40 0.00 0.00 41.96 39.24 2k8s s TYR 8 CO 0.12 0.18 0.50 -3.38 -1.57 0.00 0.00 175.55 171.40 2k8s s HIS 9 N 0.55 0.96 -0.01 2.71 -3.43 -1.04 -0.58 115.29 114.45 2k8s s HIS 9 Ca 0.06 -1.23 0.01 0.00 -0.80 0.00 0.00 55.06 53.10 2k8s s HIS 9 Cb -0.12 -0.00 0.02 0.00 -1.43 0.00 0.00 32.58 31.04 2k8s s HIS 9 CO 0.00 -1.16 0.94 0.00 -2.00 0.00 0.00 174.74 172.52 2k8s n ALA 10 N -0.55 1.89 0.00 -1.38 0.00 -1.26 0.31 120.51 119.51 2k8s n ALA 10 Ca 0.00 -1.02 0.00 0.00 0.00 0.00 0.00 53.44 52.42 2k8s n ALA 10 Cb 0.61 -0.02 0.00 0.00 0.00 0.00 0.00 19.45 20.04 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 -0.48 2.40 3.72 0.00 0.00 -1.26 -4.12 105.19 105.45 2k8s n GLY 11 Ca 0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.60 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 4.09 0.00 -0.48 0.00 0.11 -2.01 0.10 132.00 133.81 2k8s h PRO 13 Ca -0.47 0.00 0.02 0.00 0.11 0.00 0.00 66.00 65.66 2k8s h PRO 13 Cb 1.25 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.34 2k8s h PRO 13 CO 0.74 0.00 0.32 0.28 -0.21 0.00 0.00 178.00 179.13 2k8s h VAL 14 N 0.00 1.09 0.00 3.15 2.07 -1.99 -1.87 116.25 118.70 2k8s h VAL 14 Ca 0.21 -0.21 -0.12 0.00 0.82 0.00 0.00 66.70 67.41 2k8s h VAL 14 Cb 1.55 0.44 -0.02 0.00 -1.52 0.00 0.00 31.29 31.75 2k8s h VAL 14 CO -0.00 0.11 -0.58 0.00 0.02 0.00 0.00 177.57 177.11 2k8s h VAL 16 N 0.00 1.10 -0.35 0.00 2.07 -1.44 0.41 116.25 118.04 2k8s h VAL 16 Ca -0.01 -0.26 0.03 0.00 0.82 0.00 0.00 66.70 67.29 2k8s h VAL 16 Cb 1.30 0.83 -0.03 0.00 -1.52 0.00 0.00 31.29 31.87 2k8s h VAL 16 CO 0.08 0.10 0.15 0.28 0.02 0.00 0.00 177.57 178.19 2k8s h SER 17 N 0.30 0.19 -0.46 0.57 0.02 -1.52 -1.10 113.55 111.55 2k8s h SER 17 Ca 0.09 0.03 -0.06 0.00 -0.84 0.00 0.00 61.79 61.01 2k8s h SER 17 Cb 0.04 -0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.56 2k8s h SER 17 CO -0.02 0.15 0.05 0.00 -1.14 0.00 0.00 176.83 175.88 2k8s h ALA 18 N 1.20 0.61 0.35 3.77 0.00 -1.34 -2.26 119.26 121.59 2k8s h ALA 18 Ca 0.15 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 2k8s h ALA 18 Cb 0.10 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.72 2k8s h ALA 18 CO -0.13 0.36 -0.17 1.49 0.00 0.00 0.00 179.25 180.79 2k8s h GLU 19 N 0.63 -0.46 0.00 0.00 4.81 0.01 0.28 114.58 119.86 2k8s h GLU 19 Ca 0.14 0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.39 2k8s h GLU 19 Cb 0.42 0.10 -0.00 0.00 0.63 0.00 0.00 28.75 29.90 2k8s h GLU 19 CO 0.01 -0.16 -0.03 1.96 -0.73 0.00 0.00 179.01 180.06 2k8s h GLN 20 N -0.75 0.00 0.00 1.92 4.20 -1.24 0.78 115.11 120.02 2k8s h GLN 20 Ca -0.05 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.66 2k8s h GLN 20 Cb 0.51 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.29 2k8s h GLN 20 CO 0.08 0.03 -0.34 0.00 -0.67 0.00 0.00 178.83 177.93 2k8s n ALA 21 N -2.12 0.30 -0.07 3.87 0.00 -0.85 -4.40 120.51 117.24 2k8s n ALA 21 Ca -0.01 -0.38 -0.13 0.00 0.00 0.00 0.00 53.44 52.92 2k8s n ALA 21 Cb 0.25 0.01 -0.12 0.00 0.00 0.00 0.00 19.45 19.59 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 -0.44 1.64 0.00 0.00 2.07 -0.53 -2.07 116.25 116.92 2k8s h VAL 22 Ca 0.00 -2.25 -0.05 0.00 0.82 0.00 0.00 66.70 65.22 2k8s h VAL 22 Cb 0.34 3.12 -0.01 0.00 -1.52 0.00 0.00 31.29 33.22 2k8s h VAL 22 CO 0.00 0.56 -0.26 0.00 0.02 0.00 0.00 177.57 177.89 2k8s h ALA 23 N -0.09 1.26 0.00 1.67 0.00 -1.09 -1.21 119.26 119.80 2k8s h ALA 23 Ca -0.01 -0.23 -0.10 0.00 0.00 0.00 0.00 54.91 54.57 2k8s h ALA 23 Cb 0.93 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 2k8s h ALA 23 CO -0.01 0.32 -0.56 -0.97 0.00 0.00 0.00 179.25 178.03 2k8s h ASN 24 N 0.00 0.00 0.04 0.00 -1.24 -0.95 -3.18 115.58 110.24 2k8s h ASN 24 Ca -0.00 0.00 -0.12 0.00 0.71 0.00 0.00 56.30 56.89 2k8s h ASN 24 Cb 0.57 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.61 2k8s h ASN 24 CO 0.03 0.46 -0.39 0.00 -1.29 0.00 0.00 177.43 176.25 2k8s h ALA 25 N 1.54 0.96 -1.82 1.57 0.00 -0.49 -3.40 119.26 117.62 2k8s h ALA 25 Ca -0.02 -0.42 -0.58 0.00 0.00 0.00 0.00 54.91 53.89 2k8s h ALA 25 Cb 1.37 -0.11 -0.09 0.00 0.00 0.00 0.00 17.79 18.97 2k8s h ALA 25 CO 0.06 0.62 0.75 0.42 0.00 0.00 0.00 179.25 181.10 2k8s s ILE 26 N -4.25 4.33 0.27 0.00 1.01 -0.89 -5.01 121.20 116.67 2k8s s ILE 26 Ca -0.06 0.94 -0.29 0.00 0.00 0.00 0.00 60.65 61.24 2k8s s ILE 26 Cb 0.13 -4.53 -0.10 0.00 0.01 0.00 0.00 42.46 37.98 2k8s s ILE 26 CO 0.80 -0.95 1.26 -1.81 0.00 0.00 0.00 174.94 174.25 2k8s s ASP 27 N 2.40 6.93 0.00 3.58 1.11 -1.26 -4.89 116.67 124.54 2k8s s ASP 27 Ca 0.42 2.49 0.14 0.00 0.18 0.00 0.00 52.55 55.78 2k8s s ASP 27 Cb -0.09 -2.63 0.76 0.00 1.07 0.00 0.00 42.92 42.03 2k8s s ASP 27 CO 0.29 -0.44 1.32 -0.81 1.18 0.00 0.00 175.17 176.71 2k8s n PRO 28 N 1.51 0.30 0.02 8.23 -0.04 -1.25 -0.76 135.00 143.02 2k8s n PRO 28 Ca 0.02 0.09 0.11 0.00 -0.04 0.00 0.00 63.50 63.68 2k8s n PRO 28 Cb 0.43 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.37 2k8s n PRO 28 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2k8s n SER 29 N -1.16 0.61 -0.10 3.54 3.41 -1.26 -4.31 113.62 114.34 2k8s n SER 29 Ca 0.08 -0.32 -0.18 0.00 -0.26 0.00 0.00 58.87 58.19 2k8s n SER 29 Cb 0.08 0.95 -0.13 0.00 -0.26 0.00 0.00 64.21 64.85 2k8s n SER 29 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 2k8s n LYS 30 N -1.91 0.67 -3.91 4.33 4.81 0.06 -4.98 118.16 117.24 2k8s n LYS 30 Ca 0.02 0.17 -0.11 0.00 -0.87 0.00 0.00 58.31 57.52 2k8s n LYS 30 Cb 0.43 -1.56 -0.12 0.00 0.02 0.00 0.00 35.03 33.81 2k8s n LYS 30 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 2k8s s TYR 31 N -2.53 0.09 -0.75 5.64 2.02 -0.43 -4.64 117.35 116.76 2k8s s TYR 31 Ca -0.31 -0.19 -0.26 0.00 -0.37 0.00 0.00 57.07 55.93 2k8s s TYR 31 Cb 0.08 -0.08 0.02 0.00 -0.40 0.00 0.00 41.96 41.58 2k8s s TYR 31 CO 0.64 -0.16 1.43 0.99 -1.57 0.00 0.00 175.55 176.88 2k8s s THR 32 N -0.92 3.66 -0.27 -0.71 2.01 0.11 -3.85 115.64 115.67 2k8s s THR 32 Ca -0.10 0.22 -0.28 0.00 0.31 0.00 0.00 61.69 61.84 2k8s s THR 32 Cb -0.06 -4.72 0.01 0.00 0.01 0.00 0.00 72.50 67.74 2k8s s THR 32 CO -0.00 -1.66 0.99 -0.69 -0.69 0.00 0.00 174.62 172.57 2k8s s VAL 33 N 6.42 4.66 -0.10 3.82 1.01 -1.26 0.02 120.40 134.97 2k8s s VAL 33 Ca 0.43 1.76 0.02 0.00 0.00 0.00 0.00 61.98 64.20 2k8s s VAL 33 Cb -0.08 -4.30 0.01 0.00 0.00 0.00 0.00 36.38 32.01 2k8s s VAL 33 CO 0.13 -0.27 -0.17 -0.70 0.00 0.00 0.00 175.10 174.08 2k8s s GLU 34 N 3.27 2.38 -0.10 2.72 2.12 0.34 -4.95 118.70 124.49 2k8s s GLU 34 Ca 0.42 -0.63 0.02 0.00 0.36 0.00 0.00 54.97 55.14 2k8s s GLU 34 Cb -0.14 -1.95 -0.02 0.00 0.26 0.00 0.00 34.13 32.28 2k8s s GLU 34 CO 0.10 0.00 -0.16 0.42 -0.54 0.00 0.00 175.26 175.09 2k8s s ILE 35 N 0.80 2.87 -0.13 -3.70 1.01 -1.26 0.19 121.20 120.97 2k8s s ILE 35 Ca -0.10 -0.75 0.02 0.00 0.00 0.00 0.00 60.65 59.82 2k8s s ILE 35 Cb -0.16 -2.16 0.01 0.00 0.01 0.00 0.00 42.46 40.17 2k8s s ILE 35 CO 0.01 0.55 -0.20 -0.69 0.00 0.00 0.00 174.94 174.62 2k8s s VAL 36 N 0.01 1.88 -0.50 2.92 1.01 0.22 -4.93 120.40 121.02 2k8s s VAL 36 Ca -0.05 -0.86 -0.25 0.00 0.00 0.00 0.00 61.98 60.82 2k8s s VAL 36 Cb -0.14 -1.68 0.03 0.00 0.00 0.00 0.00 36.38 34.59 2k8s s VAL 36 CO 0.04 0.51 0.92 -2.28 0.00 0.00 0.00 175.10 174.30 2k8s s HIS 37 N 0.93 2.87 -0.28 5.22 2.46 -1.26 -2.50 115.29 122.74 2k8s s HIS 37 Ca -0.05 0.21 0.22 0.00 0.47 0.00 0.00 55.06 55.91 2k8s s HIS 37 Cb -0.15 -3.99 0.07 0.00 -0.13 0.00 0.00 32.58 28.39 2k8s s HIS 37 CO -0.03 -1.19 1.17 -0.07 -2.47 0.00 0.00 174.74 172.14 2k8s h LEU 38 N 10.70 0.00 -2.48 8.88 3.38 -0.48 -3.38 115.31 131.93 2k8s h LEU 38 Ca -0.25 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.69 2k8s h LEU 38 Cb 1.08 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.81 2k8s h LEU 38 CO 1.05 0.02 0.04 0.61 0.09 0.00 0.00 178.44 180.24 2k8s n GLY 39 N 1.17 2.35 2.04 0.83 0.00 -1.22 -3.67 105.19 106.68 2k8s n GLY 39 Ca 0.01 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.95 2k8s n GLY 39 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2k8s n THR 40 N 0.81 0.00 -3.35 2.61 -1.04 -1.26 -4.92 114.28 107.12 2k8s n THR 40 Ca 0.03 0.00 -0.40 0.00 -2.04 0.00 0.00 64.05 61.64 2k8s n THR 40 Cb 0.54 -0.40 -0.09 0.00 -1.82 0.00 0.00 70.33 68.56 2k8s n THR 40 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 2k8s s ASP 41 N -4.39 6.27 0.36 8.00 1.11 -1.24 -4.93 116.67 121.84 2k8s s ASP 41 Ca 0.00 0.18 0.11 0.00 0.18 0.00 0.00 52.55 53.02 2k8s s ASP 41 Cb 0.00 -2.22 0.67 0.00 1.07 0.00 0.00 42.92 42.43 2k8s s ASP 41 CO 0.00 -0.27 1.81 0.11 1.18 0.00 0.00 175.17 178.00 2k8s h LYS 42 N 8.25 0.08 0.00 8.23 1.57 -1.97 -2.04 116.57 130.70 2k8s h LYS 42 Ca -0.30 -0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 58.40 2k8s h LYS 42 Cb 1.15 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.45 2k8s h LYS 42 CO 0.68 0.43 -0.20 0.00 -0.57 0.00 0.00 179.45 179.78 2k8s h ALA 43 N 1.57 1.46 0.00 3.86 0.00 -1.95 -1.82 119.26 122.38 2k8s h ALA 43 Ca 0.01 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 2k8s h ALA 43 Cb 0.66 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.41 2k8s h ALA 43 CO 0.05 0.25 -0.12 0.00 0.00 0.00 0.00 179.25 179.43 2k8s h ARG 44 N 0.00 0.00 -0.33 0.00 3.08 -1.73 -2.79 114.38 112.62 2k8s h ARG 44 Ca -0.00 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.00 2k8s h ARG 44 Cb 0.41 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.44 2k8s h ARG 44 CO 0.03 0.12 -0.01 0.82 -1.07 0.00 0.00 179.97 179.85 2k8s h ILE 45 N 0.00 1.20 -0.55 2.04 2.04 -1.24 -0.62 117.51 120.38 2k8s h ILE 45 Ca -0.00 -0.79 -0.08 0.00 1.00 0.00 0.00 64.86 64.99 2k8s h ILE 45 Cb 0.87 0.97 -0.02 0.00 -0.74 0.00 0.00 36.82 37.89 2k8s h ILE 45 CO 0.01 0.27 0.03 0.00 0.00 0.00 0.00 178.15 178.46 2k8s h ALA 46 N 1.51 1.01 -0.51 1.87 0.00 -1.52 0.59 119.26 122.21 2k8s h ALA 46 Ca 0.10 -0.27 -0.10 0.00 0.00 0.00 0.00 54.91 54.64 2k8s h ALA 46 Cb 0.34 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 2k8s h ALA 46 CO 0.01 0.62 -0.09 0.93 0.00 0.00 0.00 179.25 180.72 2k8s h GLU 47 N 0.86 0.93 -0.47 0.00 5.08 -1.38 -1.39 114.58 118.21 2k8s h GLU 47 Ca 0.17 -0.32 -0.04 0.00 -1.00 0.00 0.00 59.36 58.17 2k8s h GLU 47 Cb 0.47 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.62 2k8s h GLU 47 CO 0.02 0.98 0.14 0.00 -1.00 0.00 0.00 179.01 179.15 2k8s h ALA 48 N 1.05 0.62 -0.80 3.43 0.00 -0.74 -1.46 119.26 121.35 2k8s h ALA 48 Ca 0.14 -0.18 0.04 0.00 0.00 0.00 0.00 54.91 54.91 2k8s h ALA 48 Cb 0.62 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.18 2k8s h ALA 48 CO 0.04 0.28 0.50 1.49 0.00 0.00 0.00 179.25 181.56 2k8s h GLU 49 N 0.63 0.92 0.00 0.00 4.81 -0.66 0.97 114.58 121.24 2k8s h GLU 49 Ca 0.15 -0.06 -0.06 0.00 -0.13 0.00 0.00 59.36 59.26 2k8s h GLU 49 Cb 0.28 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.44 2k8s h GLU 49 CO -0.00 0.61 -0.30 0.87 -0.73 0.00 0.00 179.01 179.45 2k8s h LYS 50 N 0.95 0.00 0.00 1.92 1.57 -0.96 -2.47 116.57 117.58 2k8s h LYS 50 Ca 0.33 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.11 2k8s h LYS 50 Cb 0.08 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.39 2k8s h LYS 50 CO -0.14 0.30 -0.33 0.00 -0.57 0.00 0.00 179.45 178.72 2k8s n ALA 51 N -2.42 2.89 -0.42 3.86 0.00 -0.57 -4.92 120.51 118.92 2k8s n ALA 51 Ca -0.02 -0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.21 2k8s n ALA 51 Cb 0.37 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.54 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 1.43 0.82 3.61 0.00 0.00 -0.46 -4.86 105.19 105.73 2k8s n GLY 52 Ca 0.05 -0.41 -0.43 0.00 0.00 0.00 0.00 46.02 45.23 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 4.13 -0.13 1.61 1.01 0.21 -4.85 120.40 120.37 2k8s s VAL 53 Ca 0.00 1.18 0.15 0.00 0.00 0.00 0.00 61.98 63.31 2k8s s VAL 53 Cb 0.00 -4.42 -0.24 0.00 0.00 0.00 0.00 36.38 31.72 2k8s s VAL 53 CO 0.00 -0.83 0.33 0.29 0.00 0.00 0.00 175.10 174.88 2k8s n LYS 54 N 7.79 0.66 -3.98 2.72 5.02 -1.26 -4.46 118.16 124.66 2k8s n LYS 54 Ca 0.14 0.13 -0.10 0.00 -2.02 0.00 0.00 58.31 56.46 2k8s n LYS 54 Cb 0.48 -1.64 -0.07 0.00 -0.02 0.00 0.00 35.03 33.78 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 -5.78 0.02 0.08 4.39 0.01 -1.26 -0.69 113.70 110.47 2k8s s SER 55 Ca -0.08 -0.92 0.10 0.00 1.31 0.00 0.00 55.95 56.36 2k8s s SER 55 Cb 0.07 0.46 -0.03 0.00 0.21 0.00 0.00 66.02 66.72 2k8s s SER 55 CO 0.82 -0.93 -0.26 0.68 0.41 0.00 0.00 173.24 173.96 2k8s s VAL 56 N -3.99 2.16 0.34 3.43 -7.23 0.66 -3.90 120.40 111.87 2k8s s VAL 56 Ca 0.20 -1.54 -0.15 0.00 -1.81 0.00 0.00 61.98 58.68 2k8s s VAL 56 Cb 0.03 -1.88 -0.09 0.00 0.56 0.00 0.00 36.38 35.00 2k8s s VAL 56 CO 0.02 0.24 0.76 -2.16 -0.31 0.00 0.00 175.10 173.65 2k8s s PRO 57 N -1.58 3.99 -0.05 4.82 0.04 -1.26 -1.91 135.00 139.05 2k8s s PRO 57 Ca 0.12 0.68 0.00 0.00 0.04 0.00 0.00 61.00 61.85 2k8s s PRO 57 Cb -0.10 -2.40 0.02 0.00 0.04 0.00 0.00 34.50 32.06 2k8s s PRO 57 CO 0.04 0.12 -0.02 0.00 0.04 0.00 0.00 177.00 177.17 2k8s s ALA 58 N -2.05 0.63 -0.40 8.56 0.00 0.25 -0.65 121.76 128.10 2k8s s ALA 58 Ca 0.54 -0.05 -0.13 0.00 0.00 0.00 0.00 51.96 52.33 2k8s s ALA 58 Cb -0.10 -0.53 0.03 0.00 0.00 0.00 0.00 23.12 22.52 2k8s s ALA 58 CO 0.19 -0.20 0.26 -1.17 0.00 0.00 0.00 175.76 174.84 2k8s s LEU 59 N 1.34 4.98 -0.48 0.00 0.20 0.92 -0.06 118.68 125.57 2k8s s LEU 59 Ca -0.05 -1.02 -0.19 0.00 0.69 0.00 0.00 54.13 53.57 2k8s s LEU 59 Cb -0.13 -2.09 0.05 0.00 -0.43 0.00 0.00 46.19 43.59 2k8s s LEU 59 CO -0.02 -0.44 0.58 -0.69 -0.29 0.00 0.00 176.35 175.48 2k8s s VAL 60 N 1.60 4.93 -0.67 1.68 1.01 0.15 -0.22 120.40 128.89 2k8s s VAL 60 Ca 0.03 -0.46 -0.21 0.00 0.00 0.00 0.00 61.98 61.34 2k8s s VAL 60 Cb -0.20 -4.24 0.09 0.00 0.00 0.00 0.00 36.38 32.03 2k8s s VAL 60 CO 0.08 -0.71 0.91 -0.63 0.00 0.00 0.00 175.10 174.74 2k8s s ILE 61 N 2.49 4.50 0.00 2.22 1.01 0.12 0.21 121.20 131.75 2k8s s ILE 61 Ca 0.14 -0.66 0.00 0.00 0.00 0.00 0.00 60.65 60.13 2k8s s ILE 61 Cb -0.19 -4.64 0.00 0.00 0.01 0.00 0.00 42.46 37.64 2k8s s ILE 61 CO 0.12 -1.37 0.00 0.47 0.00 0.00 0.00 174.94 174.16 2k8s n ASP 62 N 7.20 0.00 -0.03 3.58 8.00 -0.36 -1.39 116.55 133.56 2k8s n ASP 62 Ca -0.03 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.47 2k8s n ASP 62 Cb 0.45 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.55 2k8s n ASP 62 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2k8s n GLY 63 N 0.00 -1.54 3.20 0.44 0.00 -1.26 -5.01 105.19 101.02 2k8s n GLY 63 Ca 0.00 -0.02 -0.34 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.23 2.65 -0.31 4.61 0.00 -0.48 -5.09 121.76 122.91 2k8s s ALA 64 Ca 0.00 -1.39 -0.18 0.00 0.00 0.00 0.00 51.96 50.40 2k8s s ALA 64 Cb 0.00 -1.60 -0.02 0.00 0.00 0.00 0.00 23.12 21.51 2k8s s ALA 64 CO 0.00 -0.69 0.50 0.00 0.00 0.00 0.00 175.76 175.57 2k8s s ALA 65 N 1.34 3.53 -0.38 0.00 0.00 -1.26 0.11 121.76 125.09 2k8s s ALA 65 Ca 0.02 -0.82 -0.04 0.00 0.00 0.00 0.00 51.96 51.11 2k8s s ALA 65 Cb -0.16 -2.94 0.08 0.00 0.00 0.00 0.00 23.12 20.11 2k8s s ALA 65 CO -0.06 -0.97 0.16 -0.06 0.00 0.00 0.00 175.76 174.83 2k8s s PHE 66 N 2.34 3.42 -0.25 0.00 0.08 0.70 -4.93 117.98 119.34 2k8s s PHE 66 Ca 0.19 -1.98 -0.29 0.00 0.12 0.00 0.00 56.93 54.97 2k8s s PHE 66 Cb -0.15 -2.81 -0.01 0.00 -0.57 0.00 0.00 43.02 39.47 2k8s s PHE 66 CO 0.11 -0.88 1.41 -1.01 -0.10 0.00 0.00 175.22 174.75 2k8s s HIS 67 N 1.26 2.50 -0.79 0.36 3.76 -1.26 -0.06 115.29 121.06 2k8s s HIS 67 Ca 0.03 0.76 -0.21 0.00 -0.15 0.00 0.00 55.06 55.49 2k8s s HIS 67 Cb -0.22 -3.87 0.10 0.00 1.11 0.00 0.00 32.58 29.70 2k8s s HIS 67 CO -0.01 -2.17 1.04 0.42 -0.85 0.00 0.00 174.74 173.16 2k8s s ILE 68 N 4.48 4.52 0.00 0.60 1.01 0.18 -4.87 121.20 127.12 2k8s s ILE 68 Ca 0.61 -0.97 0.00 0.00 0.00 0.00 0.00 60.65 60.29 2k8s s ILE 68 Cb -0.21 -4.73 0.00 0.00 0.01 0.00 0.00 42.46 37.53 2k8s s ILE 68 CO 0.24 -1.48 0.00 0.59 0.00 0.00 0.00 174.94 174.29 2k8s n ASN 69 N 7.14 -3.86 -3.82 3.58 3.02 -1.26 -4.29 115.26 115.76 2k8s n ASN 69 Ca 0.10 0.00 -0.29 0.00 -0.03 0.00 0.00 54.58 54.36 2k8s n ASN 69 Cb 0.47 0.00 -0.16 0.00 -0.61 0.00 0.00 39.78 39.48 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 1.81 -0.05 3.10 5.36 -1.26 -4.63 117.98 122.31 2k8s s PHE 70 Ca 0.00 -1.51 -0.05 0.00 -0.96 0.00 0.00 56.93 54.41 2k8s s PHE 70 Cb 0.00 -1.50 -0.02 0.00 -0.34 0.00 0.00 43.02 41.16 2k8s s PHE 70 CO 0.00 -0.76 -0.10 0.41 -1.46 0.00 0.00 175.22 173.31 2k8s n GLY 71 N 4.83 -0.49 2.98 13.12 0.00 -0.80 -5.02 105.19 119.80 2k8s n GLY 71 Ca -0.07 -0.10 -0.10 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.97 0.18 0.65 4.61 0.00 -1.03 -5.01 121.76 118.20 2k8s s ALA 72 Ca -0.08 -0.52 -0.07 0.00 0.00 0.00 0.00 51.96 51.29 2k8s s ALA 72 Cb 0.01 0.10 0.02 0.00 0.00 0.00 0.00 23.12 23.26 2k8s s ALA 72 CO 0.12 -0.10 0.98 0.20 0.00 0.00 0.00 175.76 176.96 2k8s s GLY 73 N -1.21 1.63 0.37 0.00 0.00 -1.26 -0.25 107.32 106.60 2k8s s GLY 73 Ca -0.12 -0.67 0.11 0.00 0.00 0.00 0.00 44.72 44.04 2k8s s GLY 73 CO -0.01 -0.34 1.85 1.19 0.00 0.00 0.00 173.10 175.80 2k8s h ILE 74 N -0.40 1.23 0.00 0.90 2.10 -1.22 -1.77 117.51 118.36 2k8s h ILE 74 Ca -0.45 -1.09 -0.04 0.00 1.08 0.00 0.00 64.86 64.35 2k8s h ILE 74 Cb 1.27 1.51 -0.01 0.00 -1.09 0.00 0.00 36.82 38.50 2k8s h ILE 74 CO 0.61 0.32 -0.21 0.44 -1.08 0.00 0.00 178.15 178.23 2k8s h ASP 75 N 0.10 0.00 0.61 2.19 5.19 -1.94 -1.87 116.42 120.70 2k8s h ASP 75 Ca 0.01 0.00 -0.08 0.00 -0.62 0.00 0.00 57.03 56.35 2k8s h ASP 75 Cb 0.56 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.06 2k8s h ASP 75 CO 0.04 0.21 -0.38 0.44 -3.12 0.00 0.00 179.24 176.44 2k8s h ASP 76 N 0.00 0.00 1.16 6.45 3.32 -1.68 -1.08 116.42 124.59 2k8s h ASP 76 Ca -0.00 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 56.89 2k8s h ASP 76 Cb 0.93 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.46 2k8s h ASP 76 CO 0.03 0.38 -0.87 -0.07 -1.72 0.00 0.00 179.24 176.99 2k8s h LEU 77 N 0.00 0.00 0.45 1.55 3.38 -1.19 -3.35 115.31 116.15 2k8s h LEU 77 Ca -0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 2k8s h LEU 77 Cb 0.79 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.54 2k8s h LEU 77 CO 0.05 0.69 -0.22 0.11 0.09 0.00 0.00 178.44 179.17 2k8s h LYS 78 N 0.00 -0.58 0.00 1.13 1.57 -0.94 -3.50 116.57 114.25 2k8s h LYS 78 Ca -0.05 0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2k8s h LYS 78 Cb 1.57 0.13 0.00 0.00 0.08 0.00 0.00 32.23 34.01 2k8s h LYS 78 CO 0.08 -0.33 0.00 0.41 -0.57 0.00 0.00 179.45 179.05 2k8s n GLY 79 N 0.08 -0.39 0.00 3.86 0.00 -0.45 -5.10 105.19 103.20 2k8s n GLY 79 Ca -0.08 -1.92 0.00 0.00 0.00 0.00 0.00 46.02 44.02 2k8s n GLY 79 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06