#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 3.21 0.42 2.33 0.00 -1.26 -4.81 121.76 121.64 2k8s s ALA 2 Ca 0.00 -0.78 -0.23 0.00 0.00 0.00 0.00 51.96 50.95 2k8s s ALA 2 Cb 0.00 -1.74 -0.09 0.00 0.00 0.00 0.00 23.12 21.29 2k8s s ALA 2 CO 0.00 0.21 1.02 -1.12 0.00 0.00 0.00 175.76 175.87 2k8s s SER 3 N 0.33 6.74 -0.34 0.00 0.01 0.23 -4.62 113.70 116.06 2k8s s SER 3 Ca -0.00 1.94 -0.29 0.00 1.31 0.00 0.00 55.95 58.91 2k8s s SER 3 Cb -0.13 -2.57 0.02 0.00 0.21 0.00 0.00 66.02 63.54 2k8s s SER 3 CO 0.01 -0.50 1.12 -0.75 0.41 0.00 0.00 173.24 173.53 2k8s s LYS 4 N -2.72 3.99 -0.23 12.44 2.20 -1.26 0.06 119.74 134.22 2k8s s LYS 4 Ca 0.60 1.02 0.01 0.00 -0.36 0.00 0.00 55.97 57.24 2k8s s LYS 4 Cb -0.18 -3.78 0.06 0.00 -1.51 0.00 0.00 37.83 32.41 2k8s s LYS 4 CO 0.23 -1.01 -0.06 0.00 -0.36 0.00 0.00 175.35 174.15 2k8s s ALA 5 N 3.88 1.98 -0.18 3.13 0.00 -0.47 -0.32 121.76 129.78 2k8s s ALA 5 Ca 0.47 -1.34 -0.14 0.00 0.00 0.00 0.00 51.96 50.96 2k8s s ALA 5 Cb -0.12 -1.41 -0.05 0.00 0.00 0.00 0.00 23.12 21.54 2k8s s ALA 5 CO 0.19 -1.14 0.28 0.42 0.00 0.00 0.00 175.76 175.52 2k8s s ILE 6 N 1.39 5.30 -0.49 0.00 1.01 0.13 -0.09 121.20 128.45 2k8s s ILE 6 Ca -0.05 0.51 -0.08 0.00 0.00 0.00 0.00 60.65 61.02 2k8s s ILE 6 Cb -0.19 -3.62 0.12 0.00 0.01 0.00 0.00 42.46 38.79 2k8s s ILE 6 CO -0.06 0.36 0.35 0.12 0.00 0.00 0.00 174.94 175.71 2k8s s PHE 7 N 0.68 3.45 -0.20 3.97 5.36 0.14 0.38 117.98 131.77 2k8s s PHE 7 Ca 0.15 -1.98 -0.20 0.00 -0.96 0.00 0.00 56.93 53.94 2k8s s PHE 7 Cb -0.13 -3.47 -0.03 0.00 -0.34 0.00 0.00 43.02 39.05 2k8s s PHE 7 CO 0.04 -0.99 0.59 0.71 -1.46 0.00 0.00 175.22 174.11 2k8s s TYR 8 N 1.22 3.37 0.23 10.12 2.02 0.16 -0.69 117.35 133.79 2k8s s TYR 8 Ca 0.07 0.86 -0.01 0.00 -0.37 0.00 0.00 57.07 57.62 2k8s s TYR 8 Cb -0.25 -2.75 -0.03 0.00 -0.40 0.00 0.00 41.96 38.53 2k8s s TYR 8 CO -0.02 -0.15 0.21 -3.38 -1.57 0.00 0.00 175.55 170.65 2k8s s HIS 9 N 1.81 1.16 -0.06 2.71 -3.43 -0.54 -0.55 115.29 116.38 2k8s s HIS 9 Ca 0.27 -1.35 0.09 0.00 -0.80 0.00 0.00 55.06 53.27 2k8s s HIS 9 Cb -0.16 -0.47 0.14 0.00 -1.43 0.00 0.00 32.58 30.66 2k8s s HIS 9 CO 0.10 -0.74 1.03 0.00 -2.00 0.00 0.00 174.74 173.13 2k8s n ALA 10 N -0.36 2.05 -1.13 -1.38 0.00 -1.26 0.03 120.51 118.46 2k8s n ALA 10 Ca 0.02 -1.73 -0.04 0.00 0.00 0.00 0.00 53.44 51.69 2k8s n ALA 10 Cb 0.65 -0.23 -0.02 0.00 0.00 0.00 0.00 19.45 19.85 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 -0.86 0.72 3.81 0.00 0.00 -1.26 -4.67 105.19 102.93 2k8s n GLY 11 Ca 0.08 -0.83 -0.34 0.00 0.00 0.00 0.00 46.02 44.93 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 2.02 0.00 -0.06 0.00 0.13 -2.02 0.12 132.00 132.20 2k8s h PRO 13 Ca -0.49 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.55 2k8s h PRO 13 Cb 1.19 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.31 2k8s h PRO 13 CO 0.61 0.00 -0.38 0.28 -0.23 0.00 0.00 178.00 178.28 2k8s h VAL 14 N 0.00 1.29 0.00 1.56 2.07 -1.96 -2.83 116.25 116.38 2k8s h VAL 14 Ca 0.16 -1.39 -0.11 0.00 0.82 0.00 0.00 66.70 66.18 2k8s h VAL 14 Cb 0.73 1.67 -0.02 0.00 -1.52 0.00 0.00 31.29 32.16 2k8s h VAL 14 CO -0.00 0.41 -0.50 0.00 0.02 0.00 0.00 177.57 177.49 2k8s h VAL 16 N 0.00 0.84 -0.87 0.00 2.07 -1.41 -0.86 116.25 116.02 2k8s h VAL 16 Ca -0.01 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.54 2k8s h VAL 16 Cb 1.02 0.84 -0.05 0.00 -1.52 0.00 0.00 31.29 31.58 2k8s h VAL 16 CO 0.07 0.00 0.57 0.28 0.02 0.00 0.00 177.57 178.50 2k8s h SER 17 N -0.07 0.95 -0.32 0.57 0.02 -1.67 0.34 113.55 113.38 2k8s h SER 17 Ca 0.04 -0.01 -0.06 0.00 -0.84 0.00 0.00 61.79 60.92 2k8s h SER 17 Cb 0.13 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.44 2k8s h SER 17 CO -0.10 0.66 -0.05 0.00 -1.14 0.00 0.00 176.83 176.21 2k8s h ALA 18 N 1.35 0.43 -0.42 3.77 0.00 -1.58 -2.45 119.26 120.36 2k8s h ALA 18 Ca 0.34 -0.27 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 2k8s h ALA 18 Cb -0.03 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 2k8s h ALA 18 CO -0.11 0.24 -0.06 1.49 0.00 0.00 0.00 179.25 180.81 2k8s h GLU 19 N 0.38 0.79 0.60 0.00 4.81 -0.70 -0.99 114.58 119.47 2k8s h GLU 19 Ca 0.08 -0.28 -0.03 0.00 -0.13 0.00 0.00 59.36 59.00 2k8s h GLU 19 Cb 0.52 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.85 2k8s h GLU 19 CO 0.03 0.90 -0.34 0.37 -0.73 0.00 0.00 179.01 179.23 2k8s h GLN 20 N 0.62 -0.85 0.00 1.92 4.15 -0.26 -3.11 115.11 117.58 2k8s h GLN 20 Ca 0.11 0.06 -0.05 0.00 0.77 0.00 0.00 58.65 59.54 2k8s h GLN 20 Cb 0.58 0.19 -0.01 0.00 0.21 0.00 0.00 27.48 28.46 2k8s h GLN 20 CO 0.03 -0.57 -0.77 0.00 -1.93 0.00 0.00 178.83 175.60 2k8s n ALA 21 N -2.54 0.60 -0.01 3.38 0.00 -0.93 -3.96 120.51 117.04 2k8s n ALA 21 Ca -0.13 -0.53 -0.12 0.00 0.00 0.00 0.00 53.44 52.67 2k8s n ALA 21 Cb 0.37 -0.05 -0.07 0.00 0.00 0.00 0.00 19.45 19.71 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 -1.00 1.18 0.00 0.00 2.07 -1.39 0.73 116.25 117.84 2k8s h VAL 22 Ca -0.07 -0.54 0.00 0.00 0.82 0.00 0.00 66.70 66.91 2k8s h VAL 22 Cb 0.74 1.40 0.00 0.00 -1.52 0.00 0.00 31.29 31.91 2k8s h VAL 22 CO -0.04 0.15 0.00 0.00 0.02 0.00 0.00 177.57 177.70 2k8s n ALA 23 N -2.23 1.61 0.60 1.67 0.00 -0.59 -1.10 120.51 120.47 2k8s n ALA 23 Ca -0.06 0.08 0.08 0.00 0.00 0.00 0.00 53.44 53.54 2k8s n ALA 23 Cb 0.14 -1.37 0.09 0.00 0.00 0.00 0.00 19.45 18.31 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 -2.18 2.52 -0.04 0.00 3.02 -0.92 -4.23 115.26 113.44 2k8s n ASN 24 Ca 0.02 -1.74 -0.08 0.00 -0.03 0.00 0.00 54.58 52.75 2k8s n ASN 24 Cb 0.21 -0.04 -0.14 0.00 -0.61 0.00 0.00 39.78 39.20 2k8s n ASN 24 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2k8s n ALA 25 N 0.96 1.58 -1.97 5.41 0.00 0.20 -4.85 120.51 121.85 2k8s n ALA 25 Ca 0.11 -0.92 -0.42 0.00 0.00 0.00 0.00 53.44 52.20 2k8s n ALA 25 Cb 0.43 -0.64 -0.03 0.00 0.00 0.00 0.00 19.45 19.21 2k8s n ALA 25 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2k8s s ILE 26 N -2.62 3.45 -0.10 0.00 1.01 -0.87 -4.97 121.20 117.10 2k8s s ILE 26 Ca -0.06 0.61 -0.28 0.00 0.00 0.00 0.00 60.65 60.92 2k8s s ILE 26 Cb 0.08 -3.39 -0.02 0.00 0.01 0.00 0.00 42.46 39.13 2k8s s ILE 26 CO 0.83 -0.05 0.91 -0.62 0.00 0.00 0.00 174.94 176.02 2k8s s ASP 27 N 3.29 7.15 0.65 3.58 -1.08 -1.26 -4.92 116.67 124.08 2k8s s ASP 27 Ca 0.75 1.40 0.37 0.00 -0.52 0.00 0.00 52.55 54.55 2k8s s ASP 27 Cb -0.35 -2.51 2.01 0.00 -1.46 0.00 0.00 42.92 40.61 2k8s s ASP 27 CO 0.31 -0.37 2.13 -0.65 0.52 0.00 0.00 175.17 177.12 2k8s h PRO 28 N 7.08 0.00 0.00 4.34 0.11 -1.94 0.12 132.00 141.71 2k8s h PRO 28 Ca -0.33 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.78 2k8s h PRO 28 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 2k8s h PRO 28 CO 0.82 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.48 2k8s n SER 29 N -2.94 0.25 -0.06 -2.05 3.41 -1.26 -3.78 113.62 107.18 2k8s n SER 29 Ca -0.02 0.55 -0.14 0.00 -0.26 0.00 0.00 58.87 59.00 2k8s n SER 29 Cb 0.21 -0.61 -0.05 0.00 -0.26 0.00 0.00 64.21 63.50 2k8s n SER 29 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2k8s n LYS 30 N -1.76 0.31 -4.16 4.33 5.02 0.36 -4.74 118.16 117.51 2k8s n LYS 30 Ca 0.04 0.13 -0.17 0.00 -2.02 0.00 0.00 58.31 56.29 2k8s n LYS 30 Cb 0.24 -1.02 -0.12 0.00 -0.02 0.00 0.00 35.03 34.11 2k8s n LYS 30 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 2k8s s TYR 31 N -2.31 1.11 -0.42 2.13 1.51 -0.96 -0.60 117.35 117.82 2k8s s TYR 31 Ca -0.20 -0.46 -0.16 0.00 -1.01 0.00 0.00 57.07 55.25 2k8s s TYR 31 Cb 0.07 -0.63 0.02 0.00 -0.11 0.00 0.00 41.96 41.31 2k8s s TYR 31 CO 0.25 0.03 0.34 0.99 -1.11 0.00 0.00 175.55 176.05 2k8s s THR 32 N -1.25 5.22 -0.59 -0.71 2.01 0.11 -4.05 115.64 116.37 2k8s s THR 32 Ca -0.03 -0.61 -0.25 0.00 0.31 0.00 0.00 61.69 61.11 2k8s s THR 32 Cb -0.10 -3.97 0.04 0.00 0.01 0.00 0.00 72.50 68.48 2k8s s THR 32 CO 0.02 -0.35 1.04 -0.69 -0.69 0.00 0.00 174.62 173.95 2k8s s VAL 33 N 1.79 4.22 -0.52 3.82 1.01 -1.25 -1.37 120.40 128.10 2k8s s VAL 33 Ca 0.07 0.36 -0.23 0.00 0.00 0.00 0.00 61.98 62.18 2k8s s VAL 33 Cb -0.19 -4.65 0.04 0.00 0.00 0.00 0.00 36.38 31.59 2k8s s VAL 33 CO 0.11 -1.30 0.84 -1.61 0.00 0.00 0.00 175.10 173.14 2k8s s GLU 34 N 4.41 3.30 -0.50 2.72 2.02 0.87 -4.91 118.70 126.61 2k8s s GLU 34 Ca 0.33 -0.36 -0.29 0.00 0.02 0.00 0.00 54.97 54.67 2k8s s GLU 34 Cb -0.11 -4.04 0.03 0.00 0.10 0.00 0.00 34.13 30.10 2k8s s GLU 34 CO 0.19 -1.35 1.22 0.42 0.02 0.00 0.00 175.26 175.76 2k8s s ILE 35 N 3.52 4.08 -0.22 -1.63 -1.09 -1.26 0.29 121.20 124.89 2k8s s ILE 35 Ca 0.27 1.06 0.02 0.00 -2.23 0.00 0.00 60.65 59.77 2k8s s ILE 35 Cb -0.14 -4.56 0.04 0.00 -1.58 0.00 0.00 42.46 36.22 2k8s s ILE 35 CO 0.18 -1.06 -0.15 -0.69 -1.23 0.00 0.00 174.94 171.99 2k8s s VAL 36 N 4.86 2.16 -0.31 2.92 1.01 0.14 -4.97 120.40 126.20 2k8s s VAL 36 Ca 0.49 -1.24 -0.22 0.00 0.00 0.00 0.00 61.98 61.01 2k8s s VAL 36 Cb -0.08 -2.08 -0.00 0.00 0.00 0.00 0.00 36.38 34.21 2k8s s VAL 36 CO 0.30 0.27 0.71 -2.28 0.00 0.00 0.00 175.10 174.11 2k8s s HIS 37 N 1.21 3.20 -0.11 5.22 2.46 -1.26 -1.47 115.29 124.54 2k8s s HIS 37 Ca -0.01 0.69 0.18 0.00 0.47 0.00 0.00 55.06 56.39 2k8s s HIS 37 Cb -0.16 -3.12 0.32 0.00 -0.13 0.00 0.00 32.58 29.49 2k8s s HIS 37 CO -0.09 -0.53 1.56 -0.07 -2.47 0.00 0.00 174.74 173.14 2k8s h LEU 38 N 9.33 0.00 -2.91 8.88 3.38 -0.75 -3.29 115.31 129.95 2k8s h LEU 38 Ca -0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.72 2k8s h LEU 38 Cb 1.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.86 2k8s h LEU 38 CO 0.85 0.37 0.00 0.61 0.09 0.00 0.00 178.44 180.36 2k8s n GLY 39 N 0.92 2.44 0.34 0.83 0.00 -1.26 -3.19 105.19 105.26 2k8s n GLY 39 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 1.40 0.00 -4.20 2.61 -1.04 -1.24 -5.09 114.28 106.73 2k8s n THR 40 Ca 0.00 0.00 -0.20 0.00 -2.04 0.00 0.00 64.05 61.81 2k8s n THR 40 Cb 0.50 -0.30 -0.16 0.00 -1.82 0.00 0.00 70.33 68.54 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 -3.67 1.04 0.00 8.00 2.15 -1.19 -5.02 116.67 117.97 2k8s s ASP 41 Ca 0.00 -0.15 0.28 0.00 0.43 0.00 0.00 52.55 53.11 2k8s s ASP 41 Cb 0.00 -0.49 1.11 0.00 -0.30 0.00 0.00 42.92 43.24 2k8s s ASP 41 CO 0.00 -0.05 1.77 0.29 -0.17 0.00 0.00 175.17 177.02 2k8s n LYS 42 N 4.04 1.60 0.04 4.34 5.02 -1.26 -3.39 118.16 128.56 2k8s n LYS 42 Ca -0.24 -0.88 -0.11 0.00 -2.02 0.00 0.00 58.31 55.06 2k8s n LYS 42 Cb 0.51 -1.47 -0.13 0.00 -0.02 0.00 0.00 35.03 33.91 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 4.29 0.42 0.00 7.82 0.00 -1.95 -3.24 119.26 126.60 2k8s h ALA 43 Ca 0.00 -1.11 0.00 0.00 0.00 0.00 0.00 54.91 53.80 2k8s h ALA 43 Cb 0.45 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.37 2k8s h ALA 43 CO 0.00 1.29 0.00 0.54 0.00 0.00 0.00 179.25 181.08 2k8s n ARG 44 N -3.31 0.06 -0.13 0.00 1.74 -1.22 -2.48 116.66 111.32 2k8s n ARG 44 Ca -0.09 0.19 -0.09 0.00 -0.77 0.00 0.00 57.85 57.09 2k8s n ARG 44 Cb 1.00 -1.50 -0.00 0.00 -1.02 0.00 0.00 32.46 30.94 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 1.15 -0.47 0.55 1.08 -1.70 0.21 117.51 118.34 2k8s h ILE 45 Ca 0.00 -0.40 -0.13 0.00 -0.39 0.00 0.00 64.86 63.93 2k8s h ILE 45 Cb 0.26 0.69 -0.01 0.00 -3.07 0.00 0.00 36.82 34.68 2k8s h ILE 45 CO 0.00 0.16 -0.23 0.00 -0.69 0.00 0.00 178.15 177.39 2k8s h ALA 46 N 1.07 0.70 -0.24 1.87 0.00 -1.69 -1.56 119.26 119.42 2k8s h ALA 46 Ca 0.14 -0.40 -0.00 0.00 0.00 0.00 0.00 54.91 54.65 2k8s h ALA 46 Cb 0.06 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 2k8s h ALA 46 CO -0.02 0.67 0.14 0.93 0.00 0.00 0.00 179.25 180.97 2k8s h GLU 47 N 0.83 0.32 -0.38 0.00 5.08 -1.47 0.25 114.58 119.21 2k8s h GLU 47 Ca 0.10 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.41 2k8s h GLU 47 Cb 0.81 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.98 2k8s h GLU 47 CO 0.07 0.26 0.14 0.00 -1.00 0.00 0.00 179.01 178.49 2k8s h ALA 48 N 1.04 0.49 -0.75 3.43 0.00 -0.56 0.99 119.26 123.91 2k8s h ALA 48 Ca 0.08 -0.14 0.05 0.00 0.00 0.00 0.00 54.91 54.90 2k8s h ALA 48 Cb 0.03 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.62 2k8s h ALA 48 CO -0.02 0.11 0.45 1.49 0.00 0.00 0.00 179.25 181.29 2k8s h GLU 49 N 0.47 0.83 0.00 0.00 4.81 -1.04 0.98 114.58 120.63 2k8s h GLU 49 Ca 0.13 -0.05 -0.07 0.00 -0.13 0.00 0.00 59.36 59.23 2k8s h GLU 49 Cb 0.21 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.39 2k8s h GLU 49 CO -0.01 0.55 -0.35 -0.22 -0.73 0.00 0.00 179.01 178.25 2k8s h LYS 50 N 0.86 0.00 0.00 1.92 3.64 -0.15 -2.40 116.57 120.44 2k8s h LYS 50 Ca 0.32 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.70 2k8s h LYS 50 Cb 0.10 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.92 2k8s h LYS 50 CO -0.15 0.35 -0.03 0.00 -2.27 0.00 0.00 179.45 177.36 2k8s n ALA 51 N -2.36 2.38 0.00 5.00 0.00 0.31 -4.89 120.51 120.95 2k8s n ALA 51 Ca -0.01 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.33 2k8s n ALA 51 Cb 0.44 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.44 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 1.46 1.06 3.63 0.00 0.00 -0.75 -4.38 105.19 106.20 2k8s n GLY 52 Ca 0.07 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.66 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 4.05 -0.12 1.61 1.01 0.22 -4.83 120.40 120.35 2k8s s VAL 53 Ca 0.00 1.18 0.20 0.00 0.00 0.00 0.00 61.98 63.35 2k8s s VAL 53 Cb 0.00 -4.10 -0.28 0.00 0.00 0.00 0.00 36.38 32.00 2k8s s VAL 53 CO 0.00 -0.48 0.31 0.29 0.00 0.00 0.00 175.10 175.21 2k8s n LYS 54 N 7.45 0.67 -3.88 2.72 5.02 -1.26 -4.28 118.16 124.61 2k8s n LYS 54 Ca 0.15 -0.08 -0.09 0.00 -2.02 0.00 0.00 58.31 56.28 2k8s n LYS 54 Cb 0.47 -1.54 -0.04 0.00 -0.02 0.00 0.00 35.03 33.89 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 -5.08 -0.19 0.06 4.39 0.01 -1.26 -0.13 113.70 111.50 2k8s s SER 55 Ca -0.09 -0.70 0.08 0.00 1.31 0.00 0.00 55.95 56.56 2k8s s SER 55 Cb 0.10 0.62 -0.03 0.00 0.21 0.00 0.00 66.02 66.91 2k8s s SER 55 CO 0.86 -1.16 -0.20 0.68 0.41 0.00 0.00 173.24 173.83 2k8s s VAL 56 N -3.94 2.65 0.30 3.43 -7.23 0.13 -3.64 120.40 112.10 2k8s s VAL 56 Ca 0.15 -1.33 -0.20 0.00 -1.81 0.00 0.00 61.98 58.79 2k8s s VAL 56 Cb -0.02 -2.13 -0.09 0.00 0.56 0.00 0.00 36.38 34.70 2k8s s VAL 56 CO 0.05 0.27 0.81 -2.16 -0.31 0.00 0.00 175.10 173.76 2k8s s PRO 57 N -1.60 4.27 -0.08 4.82 0.04 -1.26 -2.18 135.00 139.02 2k8s s PRO 57 Ca 0.15 0.97 0.03 0.00 0.04 0.00 0.00 61.00 62.18 2k8s s PRO 57 Cb -0.10 -2.65 0.01 0.00 0.04 0.00 0.00 34.50 31.79 2k8s s PRO 57 CO 0.06 0.25 -0.15 0.00 0.04 0.00 0.00 177.00 177.20 2k8s s ALA 58 N -1.75 1.49 -0.48 8.56 0.00 0.28 -1.42 121.76 128.44 2k8s s ALA 58 Ca 0.50 -0.56 -0.13 0.00 0.00 0.00 0.00 51.96 51.77 2k8s s ALA 58 Cb -0.14 -0.64 0.10 0.00 0.00 0.00 0.00 23.12 22.43 2k8s s ALA 58 CO 0.20 0.14 0.38 -1.17 0.00 0.00 0.00 175.76 175.31 2k8s s LEU 59 N 0.61 5.66 -0.76 0.00 2.96 0.12 -0.66 118.68 126.62 2k8s s LEU 59 Ca -0.15 -1.58 -0.23 0.00 -0.22 0.00 0.00 54.13 51.95 2k8s s LEU 59 Cb -0.16 -2.11 0.07 0.00 0.50 0.00 0.00 46.19 44.48 2k8s s LEU 59 CO 0.05 -0.68 1.11 -0.69 -1.32 0.00 0.00 176.35 174.81 2k8s s VAL 60 N 1.53 4.22 -0.62 1.68 1.01 0.16 -0.01 120.40 128.38 2k8s s VAL 60 Ca 0.04 -0.44 -0.21 0.00 0.00 0.00 0.00 61.98 61.37 2k8s s VAL 60 Cb -0.26 -4.79 0.08 0.00 0.00 0.00 0.00 36.38 31.41 2k8s s VAL 60 CO 0.03 -1.60 0.85 -0.63 0.00 0.00 0.00 175.10 173.76 2k8s s ILE 61 N 4.28 4.53 -1.28 2.22 1.01 0.15 -0.69 121.20 131.42 2k8s s ILE 61 Ca 0.29 -0.55 0.00 0.00 0.00 0.00 0.00 60.65 60.39 2k8s s ILE 61 Cb -0.11 -4.59 0.00 0.00 0.01 0.00 0.00 42.46 37.77 2k8s s ILE 61 CO 0.06 -1.28 0.00 -0.67 0.00 0.00 0.00 174.94 173.05 2k8s n ASP 62 N 7.13 -5.42 0.00 3.58 2.03 0.56 -1.43 116.55 123.00 2k8s n ASP 62 Ca -0.06 0.30 0.00 0.00 0.52 0.00 0.00 54.79 55.55 2k8s n ASP 62 Cb 0.44 -3.99 0.00 0.00 -0.72 0.00 0.00 41.12 36.86 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 -0.21 1.73 3.65 0.27 0.00 -1.26 -5.01 105.19 104.37 2k8s n GLY 63 Ca -0.12 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.52 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 -1.43 3.56 -0.31 4.61 0.00 -0.51 -4.90 121.76 122.79 2k8s s ALA 64 Ca 0.00 -0.62 -0.24 0.00 0.00 0.00 0.00 51.96 51.10 2k8s s ALA 64 Cb 0.00 -2.64 0.00 0.00 0.00 0.00 0.00 23.12 20.48 2k8s s ALA 64 CO 0.00 -0.39 0.81 0.00 0.00 0.00 0.00 175.76 176.17 2k8s s ALA 65 N 1.51 3.53 -0.34 0.00 0.00 -1.26 0.30 121.76 125.51 2k8s s ALA 65 Ca 0.17 -0.40 -0.00 0.00 0.00 0.00 0.00 51.96 51.73 2k8s s ALA 65 Cb -0.15 -3.32 0.08 0.00 0.00 0.00 0.00 23.12 19.73 2k8s s ALA 65 CO 0.08 -1.21 0.06 -0.06 0.00 0.00 0.00 175.76 174.63 2k8s s PHE 66 N 3.00 3.47 0.45 0.00 0.08 0.99 -4.94 117.98 121.03 2k8s s PHE 66 Ca 0.33 -2.33 -0.23 0.00 0.12 0.00 0.00 56.93 54.82 2k8s s PHE 66 Cb -0.14 -2.61 -0.08 0.00 -0.57 0.00 0.00 43.02 39.62 2k8s s PHE 66 CO 0.13 -0.90 1.13 -1.01 -0.10 0.00 0.00 175.22 174.47 2k8s s HIS 67 N 1.13 2.98 -0.25 0.36 3.76 -1.26 0.14 115.29 122.14 2k8s s HIS 67 Ca 0.02 1.57 -0.01 0.00 -0.15 0.00 0.00 55.06 56.48 2k8s s HIS 67 Cb -0.21 -3.29 0.08 0.00 1.11 0.00 0.00 32.58 30.27 2k8s s HIS 67 CO -0.04 -1.24 0.05 0.42 -0.85 0.00 0.00 174.74 173.09 2k8s s ILE 68 N -1.60 0.82 -0.04 0.60 1.01 -0.51 -4.88 121.20 116.60 2k8s s ILE 68 Ca 0.62 -1.04 -0.03 0.00 0.00 0.00 0.00 60.65 60.20 2k8s s ILE 68 Cb -0.26 -1.43 0.01 0.00 0.01 0.00 0.00 42.46 40.79 2k8s s ILE 68 CO 0.32 -0.42 0.07 0.59 0.00 0.00 0.00 174.94 175.50 2k8s n ASN 69 N 4.91 -4.90 -4.55 3.58 3.02 -1.26 -4.16 115.26 111.89 2k8s n ASN 69 Ca -0.06 1.18 -0.38 0.00 -0.03 0.00 0.00 54.58 55.29 2k8s n ASN 69 Cb 0.44 -3.98 -0.03 0.00 -0.61 0.00 0.00 39.78 35.61 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 -0.44 1.43 -0.05 3.10 2.19 -1.26 -4.03 117.98 118.91 2k8s s PHE 70 Ca -0.08 1.10 -0.05 0.00 0.33 0.00 0.00 56.93 58.23 2k8s s PHE 70 Cb 0.01 -3.89 -0.02 0.00 -1.31 0.00 0.00 43.02 37.81 2k8s s PHE 70 CO 0.21 -2.40 -0.09 0.41 1.83 0.00 0.00 175.22 175.17 2k8s n GLY 71 N 5.82 -0.59 2.91 13.12 0.00 -0.92 -5.04 105.19 120.48 2k8s n GLY 71 Ca 0.27 -0.08 -0.12 0.00 0.00 0.00 0.00 46.02 46.08 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 -2.94 0.09 0.44 4.61 0.00 -1.04 -5.00 121.76 117.92 2k8s s ALA 72 Ca -0.07 -0.16 -0.14 0.00 0.00 0.00 0.00 51.96 51.59 2k8s s ALA 72 Cb 0.01 0.02 -0.08 0.00 0.00 0.00 0.00 23.12 23.07 2k8s s ALA 72 CO 0.11 -0.02 0.86 0.20 0.00 0.00 0.00 175.76 176.91 2k8s s GLY 73 N -0.33 2.06 0.45 0.00 0.00 -1.26 0.23 107.32 108.47 2k8s s GLY 73 Ca -0.03 0.00 0.22 0.00 0.00 0.00 0.00 44.72 44.91 2k8s s GLY 73 CO -0.00 0.23 1.91 1.19 0.00 0.00 0.00 173.10 176.43 2k8s h ILE 74 N 1.18 0.78 -0.71 0.90 2.10 -0.84 -2.34 117.51 118.58 2k8s h ILE 74 Ca -0.47 -0.99 0.06 0.00 1.08 0.00 0.00 64.86 64.54 2k8s h ILE 74 Cb 1.18 1.61 -0.06 0.00 -1.09 0.00 0.00 36.82 38.47 2k8s h ILE 74 CO 0.63 0.24 0.41 0.44 -1.08 0.00 0.00 178.15 178.78 2k8s h ASP 75 N 0.00 0.61 0.51 2.19 5.19 -1.92 0.39 116.42 123.39 2k8s h ASP 75 Ca -0.00 0.03 -0.14 0.00 -0.62 0.00 0.00 57.03 56.30 2k8s h ASP 75 Cb 0.59 -0.09 -0.02 0.00 0.18 0.00 0.00 39.33 39.99 2k8s h ASP 75 CO 0.03 0.39 -0.61 0.44 -3.12 0.00 0.00 179.24 176.37 2k8s h ASP 76 N 0.74 0.11 0.44 6.45 5.19 -1.71 0.20 116.42 127.85 2k8s h ASP 76 Ca 0.32 -0.07 -0.25 0.00 -0.62 0.00 0.00 57.03 56.42 2k8s h ASP 76 Cb 0.20 -0.03 0.00 0.00 0.18 0.00 0.00 39.33 39.68 2k8s h ASP 76 CO -0.19 0.70 -1.06 -0.07 -3.12 0.00 0.00 179.24 175.50 2k8s h LEU 77 N 0.07 0.50 0.01 1.55 3.38 -1.20 -3.30 115.31 116.32 2k8s h LEU 77 Ca -0.01 -0.45 -0.26 0.00 0.09 0.00 0.00 57.88 57.25 2k8s h LEU 77 Cb 1.10 -0.16 0.02 0.00 0.09 0.00 0.00 40.66 41.71 2k8s h LEU 77 CO 0.09 1.28 -1.04 0.50 0.09 0.00 0.00 178.44 179.36 2k8s h LYS 78 N 0.17 0.69 0.00 1.13 3.64 -0.13 -3.48 116.57 118.58 2k8s h LYS 78 Ca -0.10 -0.75 0.00 0.00 -1.27 0.00 0.00 60.65 58.52 2k8s h LYS 78 Cb 1.73 0.22 0.00 0.00 -0.41 0.00 0.00 32.23 33.77 2k8s h LYS 78 CO 0.18 1.32 0.00 0.41 -2.27 0.00 0.00 179.45 179.10 2k8s n GLY 79 N 1.11 0.69 0.34 5.01 0.00 0.43 -5.08 105.19 107.69 2k8s n GLY 79 Ca -0.11 0.00 0.04 0.00 0.00 0.00 0.00 46.02 45.95 2k8s n GLY 79 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76