#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 3.89 0.46 3.52 0.00 -1.26 -5.08 121.76 123.29 2k8s s ALA 2 Ca 0.00 -0.67 -0.23 0.00 0.00 0.00 0.00 51.96 51.05 2k8s s ALA 2 Cb 0.00 -1.94 -0.07 0.00 0.00 0.00 0.00 23.12 21.11 2k8s s ALA 2 CO 0.00 0.65 1.24 -1.54 0.00 0.00 0.00 175.76 176.11 2k8s s SER 3 N -1.23 6.02 -0.24 0.00 1.04 -1.26 -4.26 113.70 113.77 2k8s s SER 3 Ca 0.18 2.49 -0.23 0.00 0.48 0.00 0.00 55.95 58.86 2k8s s SER 3 Cb -0.12 -2.62 -0.01 0.00 0.10 0.00 0.00 66.02 63.37 2k8s s SER 3 CO 0.07 -1.03 0.77 -1.59 0.98 0.00 0.00 173.24 172.44 2k8s s LYS 4 N -2.61 4.17 -0.36 4.02 -2.85 -1.26 -2.38 119.74 118.46 2k8s s LYS 4 Ca 0.63 0.82 -0.24 0.00 -1.00 0.00 0.00 55.97 56.18 2k8s s LYS 4 Cb -0.34 -3.64 0.01 0.00 -2.06 0.00 0.00 37.83 31.80 2k8s s LYS 4 CO 0.41 -0.47 0.85 0.00 0.10 0.00 0.00 175.35 176.24 2k8s s ALA 5 N 2.69 3.43 -0.30 0.59 0.00 0.11 -4.56 121.76 123.72 2k8s s ALA 5 Ca 0.32 -0.53 -0.16 0.00 0.00 0.00 0.00 51.96 51.59 2k8s s ALA 5 Cb -0.15 -3.44 -0.03 0.00 0.00 0.00 0.00 23.12 19.50 2k8s s ALA 5 CO 0.08 -1.52 0.41 0.42 0.00 0.00 0.00 175.76 175.15 2k8s s ILE 6 N 3.27 5.13 -0.52 0.00 1.01 -0.67 -1.37 121.20 128.04 2k8s s ILE 6 Ca 0.35 0.47 -0.17 0.00 0.00 0.00 0.00 60.65 61.30 2k8s s ILE 6 Cb -0.13 -3.78 0.10 0.00 0.01 0.00 0.00 42.46 38.65 2k8s s ILE 6 CO 0.17 0.03 0.52 0.12 0.00 0.00 0.00 174.94 175.78 2k8s s PHE 7 N 2.15 3.18 -0.20 3.97 5.36 0.15 0.25 117.98 132.84 2k8s s PHE 7 Ca 0.16 -1.01 -0.18 0.00 -0.96 0.00 0.00 56.93 54.94 2k8s s PHE 7 Cb -0.16 -3.58 -0.03 0.00 -0.34 0.00 0.00 43.02 38.91 2k8s s PHE 7 CO 0.11 -0.99 0.49 0.71 -1.46 0.00 0.00 175.22 174.08 2k8s s TYR 8 N 1.94 3.37 0.25 10.12 2.02 0.76 -1.17 117.35 134.64 2k8s s TYR 8 Ca 0.06 0.74 -0.09 0.00 -0.37 0.00 0.00 57.07 57.41 2k8s s TYR 8 Cb -0.26 -2.64 -0.01 0.00 -0.40 0.00 0.00 41.96 38.66 2k8s s TYR 8 CO 0.06 -0.08 0.41 -3.38 -1.57 0.00 0.00 175.55 170.99 2k8s s HIS 9 N 1.55 0.59 -0.09 2.71 -3.43 -0.84 -0.80 115.29 114.99 2k8s s HIS 9 Ca 0.23 -0.91 0.13 0.00 -0.80 0.00 0.00 55.06 53.70 2k8s s HIS 9 Cb -0.15 0.01 0.20 0.00 -1.43 0.00 0.00 32.58 31.21 2k8s s HIS 9 CO 0.09 -0.94 1.09 0.00 -2.00 0.00 0.00 174.74 172.99 2k8s n ALA 10 N -0.38 2.15 -1.49 -1.38 0.00 -1.26 0.29 120.51 118.45 2k8s n ALA 10 Ca -0.01 -2.10 -0.01 0.00 0.00 0.00 0.00 53.44 51.33 2k8s n ALA 10 Cb 0.63 -0.35 -0.00 0.00 0.00 0.00 0.00 19.45 19.72 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 -1.03 0.40 3.77 0.00 0.00 -1.26 -4.37 105.19 102.69 2k8s n GLY 11 Ca 0.11 -0.96 -0.38 0.00 0.00 0.00 0.00 46.02 44.79 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 3.14 0.00 0.03 0.00 0.13 -2.00 -0.64 132.00 132.66 2k8s h PRO 13 Ca -0.47 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.39 2k8s h PRO 13 Cb 1.21 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.36 2k8s h PRO 13 CO 0.64 0.00 -1.07 0.28 -0.23 0.00 0.00 178.00 177.62 2k8s h VAL 14 N 0.00 1.31 0.00 1.56 2.07 -1.96 -3.31 116.25 115.92 2k8s h VAL 14 Ca 0.25 -2.35 0.00 0.00 0.82 0.00 0.00 66.70 65.42 2k8s h VAL 14 Cb 1.32 2.46 0.00 0.00 -1.52 0.00 0.00 31.29 33.56 2k8s h VAL 14 CO -0.00 0.72 0.00 0.00 0.02 0.00 0.00 177.57 178.31 2k8s h VAL 16 N 0.00 1.10 -0.35 0.00 2.07 -1.61 0.11 116.25 117.57 2k8s h VAL 16 Ca 0.00 -0.23 -0.04 0.00 0.82 0.00 0.00 66.70 67.25 2k8s h VAL 16 Cb 0.76 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 30.90 2k8s h VAL 16 CO 0.00 0.12 0.04 0.28 0.02 0.00 0.00 177.57 178.04 2k8s h SER 17 N 0.66 0.56 -0.57 0.57 0.02 -1.69 -2.56 113.55 110.55 2k8s h SER 17 Ca 0.20 -0.27 -0.03 0.00 -0.84 0.00 0.00 61.79 60.85 2k8s h SER 17 Cb -0.04 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 62.32 2k8s h SER 17 CO -0.06 0.69 0.27 0.00 -1.14 0.00 0.00 176.83 176.59 2k8s h ALA 18 N 0.89 1.34 0.24 3.77 0.00 -1.41 -0.74 119.26 123.35 2k8s h ALA 18 Ca 0.10 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 2k8s h ALA 18 Cb 0.38 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2k8s h ALA 18 CO 0.01 0.51 -0.12 1.49 0.00 0.00 0.00 179.25 181.14 2k8s h GLU 19 N 0.85 -0.31 -0.03 0.00 4.81 -0.67 0.40 114.58 119.64 2k8s h GLU 19 Ca 0.21 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.46 2k8s h GLU 19 Cb 0.12 0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.58 2k8s h GLU 19 CO -0.02 -0.03 0.00 1.04 -0.73 0.00 0.00 179.01 179.26 2k8s n GLN 20 N -5.12 1.33 0.00 1.92 1.13 -0.98 -1.40 117.38 114.26 2k8s n GLN 20 Ca -0.09 -0.48 -0.01 0.00 -1.94 0.00 0.00 57.00 54.48 2k8s n GLN 20 Cb 0.23 -1.45 -0.00 0.00 0.11 0.00 0.00 30.24 29.12 2k8s n GLN 20 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2k8s n ALA 21 N -0.39 2.08 -0.01 -1.58 0.00 -0.30 -4.58 120.51 115.74 2k8s n ALA 21 Ca 0.20 -0.12 -0.13 0.00 0.00 0.00 0.00 53.44 53.39 2k8s n ALA 21 Cb 0.22 0.04 -0.10 0.00 0.00 0.00 0.00 19.45 19.61 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 -0.07 1.36 0.00 0.00 2.07 -1.13 -1.17 116.25 117.32 2k8s h VAL 22 Ca 0.00 -1.46 0.00 0.00 0.82 0.00 0.00 66.70 66.06 2k8s h VAL 22 Cb 0.07 2.31 0.00 0.00 -1.52 0.00 0.00 31.29 32.15 2k8s h VAL 22 CO 0.00 0.36 0.00 0.00 0.02 0.00 0.00 177.57 177.95 2k8s n ALA 23 N -2.47 1.84 0.03 1.67 0.00 -0.62 -2.28 120.51 118.68 2k8s n ALA 23 Ca -0.09 0.03 -0.17 0.00 0.00 0.00 0.00 53.44 53.22 2k8s n ALA 23 Cb 0.31 -1.39 -0.14 0.00 0.00 0.00 0.00 19.45 18.23 2k8s n ALA 23 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.50 176.53 2k8s h ASN 24 N 0.00 0.33 -0.39 0.00 -0.73 -1.19 -3.34 115.58 110.26 2k8s h ASN 24 Ca 0.00 -0.57 -0.03 0.00 1.87 0.00 0.00 56.30 57.58 2k8s h ASN 24 Cb 0.44 -0.11 -0.02 0.00 0.27 0.00 0.00 38.32 38.90 2k8s h ASN 24 CO 0.00 1.49 0.17 0.00 -0.37 0.00 0.00 177.43 178.72 2k8s h ALA 25 N 0.46 1.47 -1.27 1.57 0.00 -0.77 -3.32 119.26 117.40 2k8s h ALA 25 Ca -0.30 -0.13 -0.60 0.00 0.00 0.00 0.00 54.91 53.88 2k8s h ALA 25 Cb 2.02 -0.19 -0.11 0.00 0.00 0.00 0.00 17.79 19.52 2k8s h ALA 25 CO 0.13 0.41 1.31 0.42 0.00 0.00 0.00 179.25 181.52 2k8s s ILE 26 N -5.29 4.00 0.60 0.00 1.01 -1.08 -5.00 121.20 115.43 2k8s s ILE 26 Ca -0.09 -0.64 -0.06 0.00 0.00 0.00 0.00 60.65 59.86 2k8s s ILE 26 Cb 0.16 -4.99 0.01 0.00 0.01 0.00 0.00 42.46 37.66 2k8s s ILE 26 CO 0.76 -1.86 0.91 1.51 0.00 0.00 0.00 174.94 176.26 2k8s s ASP 27 N 4.56 5.55 0.64 3.58 -4.77 -1.25 -4.79 116.67 120.19 2k8s s ASP 27 Ca 0.42 0.71 0.33 0.00 -3.30 0.00 0.00 52.55 50.71 2k8s s ASP 27 Cb -0.03 -1.68 1.84 0.00 -1.09 0.00 0.00 42.92 41.97 2k8s s ASP 27 CO -0.05 -1.09 2.09 1.55 0.70 0.00 0.00 175.17 178.37 2k8s h PRO 28 N -0.20 0.00 0.00 2.11 0.13 -1.94 0.28 132.00 132.38 2k8s h PRO 28 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2k8s h PRO 28 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 2k8s h PRO 28 CO 0.61 0.00 -0.06 0.45 -0.23 0.00 0.00 178.00 178.76 2k8s n SER 29 N -3.25 0.84 -0.08 1.44 2.88 -1.26 -3.90 113.62 110.29 2k8s n SER 29 Ca -0.01 0.53 -0.07 0.00 -1.33 0.00 0.00 58.87 58.00 2k8s n SER 29 Cb 0.30 -0.71 -0.02 0.00 -0.75 0.00 0.00 64.21 63.02 2k8s n SER 29 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 2k8s n LYS 30 N -2.28 0.47 -3.90 -1.46 3.00 0.88 -5.06 118.16 109.82 2k8s n LYS 30 Ca 0.05 0.46 -0.09 0.00 -0.00 0.00 0.00 58.31 58.73 2k8s n LYS 30 Cb 0.44 -1.64 -0.06 0.00 0.00 0.00 0.00 35.03 33.76 2k8s n LYS 30 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.40 178.11 2k8s s TYR 31 N -2.39 0.26 -0.18 5.64 2.02 -0.60 -4.89 117.35 117.22 2k8s s TYR 31 Ca -0.19 -0.63 -0.29 0.00 -0.37 0.00 0.00 57.07 55.59 2k8s s TYR 31 Cb 0.03 0.03 -0.00 0.00 -0.40 0.00 0.00 41.96 41.62 2k8s s TYR 31 CO 0.28 -0.73 1.11 0.99 -1.57 0.00 0.00 175.55 175.63 2k8s s THR 32 N -3.93 4.55 -0.14 -0.71 2.01 -1.00 -3.53 115.64 112.88 2k8s s THR 32 Ca 0.14 1.86 -0.24 0.00 0.31 0.00 0.00 61.69 63.76 2k8s s THR 32 Cb 0.03 -4.20 -0.02 0.00 0.01 0.00 0.00 72.50 68.31 2k8s s THR 32 CO -0.02 -0.12 0.74 -0.69 -0.69 0.00 0.00 174.62 173.84 2k8s s VAL 33 N 3.01 4.97 -0.16 3.82 1.01 -1.26 0.06 120.40 131.85 2k8s s VAL 33 Ca 0.49 1.48 -0.02 0.00 0.00 0.00 0.00 61.98 63.93 2k8s s VAL 33 Cb -0.18 -4.06 0.05 0.00 0.00 0.00 0.00 36.38 32.18 2k8s s VAL 33 CO 0.12 0.12 -0.01 -0.70 0.00 0.00 0.00 175.10 174.63 2k8s s GLU 34 N 1.61 0.96 -0.15 2.72 2.12 -0.47 -4.92 118.70 120.57 2k8s s GLU 34 Ca 0.36 -0.35 -0.03 0.00 0.36 0.00 0.00 54.97 55.31 2k8s s GLU 34 Cb -0.17 -1.82 -0.03 0.00 0.26 0.00 0.00 34.13 32.38 2k8s s GLU 34 CO 0.14 -0.48 -0.05 0.42 -0.54 0.00 0.00 175.26 174.75 2k8s s ILE 35 N 1.79 3.83 -0.09 -3.70 1.01 -1.26 0.30 121.20 123.07 2k8s s ILE 35 Ca 0.01 -0.39 0.03 0.00 0.00 0.00 0.00 60.65 60.30 2k8s s ILE 35 Cb -0.15 -2.66 0.01 0.00 0.01 0.00 0.00 42.46 39.66 2k8s s ILE 35 CO -0.07 0.50 -0.17 -0.69 0.00 0.00 0.00 174.94 174.51 2k8s s VAL 36 N 0.28 1.57 -0.32 2.92 1.01 -0.32 -4.93 120.40 120.61 2k8s s VAL 36 Ca -0.04 -0.72 -0.18 0.00 0.00 0.00 0.00 61.98 61.04 2k8s s VAL 36 Cb -0.14 -1.39 -0.01 0.00 0.00 0.00 0.00 36.38 34.83 2k8s s VAL 36 CO 0.03 0.45 0.52 -2.28 0.00 0.00 0.00 175.10 173.83 2k8s s HIS 37 N 0.63 3.20 -1.96 5.22 2.46 -1.26 -1.98 115.29 121.61 2k8s s HIS 37 Ca -0.14 0.34 0.24 0.00 0.47 0.00 0.00 55.06 55.97 2k8s s HIS 37 Cb -0.16 -2.88 0.23 0.00 -0.13 0.00 0.00 32.58 29.64 2k8s s HIS 37 CO 0.04 -0.46 1.24 1.28 -2.47 0.00 0.00 174.74 174.37 2k8s n LEU 38 N 5.70 1.73 -1.77 8.88 4.77 0.15 -4.50 117.00 131.96 2k8s n LEU 38 Ca -0.04 -0.61 -0.12 0.00 -0.03 0.00 0.00 56.01 55.21 2k8s n LEU 38 Cb 0.49 -0.04 0.03 0.00 -2.33 0.00 0.00 43.42 41.58 2k8s n LEU 38 CO 0.44 0.32 1.13 0.61 -1.33 0.00 0.00 177.39 178.56 2k8s n GLY 39 N 1.39 3.65 2.12 -0.72 0.00 -1.25 -4.20 105.19 106.18 2k8s n GLY 39 Ca 0.10 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.32 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 0.54 0.00 -2.90 2.61 -1.04 -1.26 -5.01 114.28 107.22 2k8s n THR 40 Ca 0.23 0.00 -0.43 0.00 -2.04 0.00 0.00 64.05 61.81 2k8s n THR 40 Cb 0.60 -0.03 -0.05 0.00 -1.82 0.00 0.00 70.33 69.03 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 -1.84 6.54 0.44 8.00 2.15 -1.26 -4.90 116.67 125.79 2k8s s ASP 41 Ca 0.00 0.25 0.24 0.00 0.43 0.00 0.00 52.55 53.48 2k8s s ASP 41 Cb 0.00 -2.42 0.72 0.00 -0.30 0.00 0.00 42.92 40.92 2k8s s ASP 41 CO 0.00 -0.87 1.74 0.11 -0.17 0.00 0.00 175.17 175.98 2k8s h LYS 42 N 8.72 0.00 0.00 4.34 1.57 -1.96 -2.81 116.57 126.42 2k8s h LYS 42 Ca -0.24 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.53 2k8s h LYS 42 Cb 1.08 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.39 2k8s h LYS 42 CO 0.96 0.16 -0.04 0.00 -0.57 0.00 0.00 179.45 179.96 2k8s h ALA 43 N 1.84 1.11 0.00 3.86 0.00 -1.97 -1.98 119.26 122.12 2k8s h ALA 43 Ca -0.00 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 2k8s h ALA 43 Cb 0.87 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 2k8s h ALA 43 CO 0.02 0.05 -0.61 0.00 0.00 0.00 0.00 179.25 178.71 2k8s h ARG 44 N 0.00 0.00 -0.49 0.00 3.08 -1.89 -3.27 114.38 111.81 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 0.27 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.30 2k8s h ARG 44 CO 0.01 0.19 0.12 0.82 -1.07 0.00 0.00 179.97 180.03 2k8s h ILE 45 N 0.00 1.24 -0.36 2.04 5.03 -1.48 0.18 117.51 124.16 2k8s h ILE 45 Ca -0.03 -0.85 -0.02 0.00 -0.12 0.00 0.00 64.86 63.85 2k8s h ILE 45 Cb 1.21 0.85 -0.02 0.00 -3.03 0.00 0.00 36.82 35.83 2k8s h ILE 45 CO 0.03 0.31 0.15 0.00 -0.68 0.00 0.00 178.15 177.95 2k8s h ALA 46 N 0.99 1.60 0.15 1.87 0.00 -1.61 -1.01 119.26 121.24 2k8s h ALA 46 Ca 0.15 -0.09 -0.31 0.00 0.00 0.00 0.00 54.91 54.66 2k8s h ALA 46 Cb 0.33 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.98 2k8s h ALA 46 CO 0.00 0.32 -1.54 1.49 0.00 0.00 0.00 179.25 179.52 2k8s h GLU 47 N 0.50 0.31 -0.58 0.00 4.57 -1.57 -3.26 114.58 114.55 2k8s h GLU 47 Ca 0.13 -0.53 -0.06 0.00 -1.18 0.00 0.00 59.36 57.71 2k8s h GLU 47 Cb 0.09 0.20 -0.03 0.00 -0.16 0.00 0.00 28.75 28.85 2k8s h GLU 47 CO -0.01 1.20 0.11 0.00 -1.18 0.00 0.00 179.01 179.12 2k8s h ALA 48 N 0.40 1.09 -0.03 2.92 0.00 -0.27 -1.78 119.26 121.59 2k8s h ALA 48 Ca -0.25 -0.24 -0.05 0.00 0.00 0.00 0.00 54.91 54.37 2k8s h ALA 48 Cb 2.04 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 19.60 2k8s h ALA 48 CO 0.18 0.60 -0.22 1.49 0.00 0.00 0.00 179.25 181.30 2k8s h GLU 49 N 0.88 0.04 -0.67 0.00 4.81 -1.30 -0.53 114.58 117.81 2k8s h GLU 49 Ca 0.18 -0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 59.35 2k8s h GLU 49 Cb 0.36 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.71 2k8s h GLU 49 CO 0.01 0.26 0.20 0.87 -0.73 0.00 0.00 179.01 179.61 2k8s h LYS 50 N 0.04 1.05 0.00 1.92 1.57 -1.38 -2.66 116.57 117.11 2k8s h LYS 50 Ca 0.01 -0.24 0.00 0.00 -1.87 0.00 0.00 60.65 58.55 2k8s h LYS 50 Cb 0.41 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.57 2k8s h LYS 50 CO 0.03 0.92 0.00 0.00 -0.57 0.00 0.00 179.45 179.83 2k8s n ALA 51 N -2.43 1.78 0.00 3.86 0.00 -0.45 -4.83 120.51 118.44 2k8s n ALA 51 Ca 0.05 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.47 2k8s n ALA 51 Cb 0.23 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.36 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 0.26 1.10 3.57 0.00 0.00 -0.88 -4.56 105.19 104.68 2k8s n GLY 52 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 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 4.01 -0.10 1.61 1.01 -0.34 -4.78 120.40 119.81 2k8s s VAL 53 Ca 0.00 0.79 0.16 0.00 0.00 0.00 0.00 61.98 62.93 2k8s s VAL 53 Cb 0.00 -4.74 -0.23 0.00 0.00 0.00 0.00 36.38 31.41 2k8s s VAL 53 CO 0.00 -1.39 0.38 0.29 0.00 0.00 0.00 175.10 174.38 2k8s n LYS 54 N 8.49 0.64 -4.08 2.72 5.02 -1.26 -3.87 118.16 125.83 2k8s n LYS 54 Ca 0.07 -0.13 -0.10 0.00 -2.02 0.00 0.00 58.31 56.13 2k8s n LYS 54 Cb 0.49 -1.35 -0.08 0.00 -0.02 0.00 0.00 35.03 34.06 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 -3.65 0.09 0.03 4.39 0.01 -1.26 -1.27 113.70 112.04 2k8s s SER 55 Ca -0.04 -1.10 0.06 0.00 1.31 0.00 0.00 55.95 56.18 2k8s s SER 55 Cb 0.10 0.43 -0.02 0.00 0.21 0.00 0.00 66.02 66.74 2k8s s SER 55 CO 0.65 -0.91 -0.18 0.68 0.41 0.00 0.00 173.24 173.89 2k8s s VAL 56 N -4.05 1.47 0.35 3.43 -7.23 0.81 -3.69 120.40 111.49 2k8s s VAL 56 Ca 0.26 -1.06 -0.20 0.00 -1.81 0.00 0.00 61.98 59.17 2k8s s VAL 56 Cb 0.04 -1.28 -0.10 0.00 0.56 0.00 0.00 36.38 35.60 2k8s s VAL 56 CO 0.06 0.19 0.86 -2.16 -0.31 0.00 0.00 175.10 173.74 2k8s s PRO 57 N -1.02 4.25 -0.12 4.82 0.04 -1.26 -2.39 135.00 139.31 2k8s s PRO 57 Ca 0.06 1.01 0.01 0.00 0.04 0.00 0.00 61.00 62.12 2k8s s PRO 57 Cb -0.08 -2.47 0.02 0.00 0.04 0.00 0.00 34.50 32.01 2k8s s PRO 57 CO 0.01 0.14 -0.12 0.00 0.04 0.00 0.00 177.00 177.07 2k8s s ALA 58 N -1.92 1.60 -0.36 8.56 0.00 0.02 -0.64 121.76 129.03 2k8s s ALA 58 Ca 0.55 -0.71 -0.10 0.00 0.00 0.00 0.00 51.96 51.71 2k8s s ALA 58 Cb -0.12 -0.91 0.03 0.00 0.00 0.00 0.00 23.12 22.12 2k8s s ALA 58 CO 0.17 -0.26 0.17 -1.17 0.00 0.00 0.00 175.76 174.67 2k8s s LEU 59 N 1.34 4.51 -0.63 0.00 0.20 0.12 -0.17 118.68 124.06 2k8s s LEU 59 Ca 0.00 -0.96 -0.26 0.00 0.69 0.00 0.00 54.13 53.60 2k8s s LEU 59 Cb -0.14 -1.98 0.04 0.00 -0.43 0.00 0.00 46.19 43.69 2k8s s LEU 59 CO -0.06 -0.34 1.10 -0.69 -0.29 0.00 0.00 176.35 176.07 2k8s s VAL 60 N 1.52 4.09 -0.49 1.68 1.01 0.14 -0.37 120.40 127.98 2k8s s VAL 60 Ca 0.01 0.36 -0.17 0.00 0.00 0.00 0.00 61.98 62.18 2k8s s VAL 60 Cb -0.19 -4.72 0.07 0.00 0.00 0.00 0.00 36.38 31.54 2k8s s VAL 60 CO 0.05 -1.45 0.47 -0.63 0.00 0.00 0.00 175.10 173.55 2k8s s ILE 61 N 4.73 5.12 -1.43 2.22 1.01 0.14 -1.68 121.20 131.32 2k8s s ILE 61 Ca 0.33 -0.91 -0.11 0.00 0.00 0.00 0.00 60.65 59.96 2k8s s ILE 61 Cb -0.11 -4.19 0.04 0.00 0.01 0.00 0.00 42.46 38.21 2k8s s ILE 61 CO 0.18 -0.67 1.11 -0.67 0.00 0.00 0.00 174.94 174.89 2k8s n ASP 62 N 5.52 -5.77 0.00 3.58 2.03 -1.26 -1.43 116.55 119.21 2k8s n ASP 62 Ca -0.11 -0.63 0.00 0.00 0.52 0.00 0.00 54.79 54.57 2k8s n ASP 62 Cb 0.44 -4.60 0.00 0.00 -0.72 0.00 0.00 41.12 36.24 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 -1.89 3.29 3.57 0.27 0.00 -1.26 -5.02 105.19 104.14 2k8s n GLY 63 Ca 0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.78 3.52 -0.25 4.61 0.00 -0.52 -5.00 121.76 121.35 2k8s s ALA 64 Ca 0.00 -0.96 -0.28 0.00 0.00 0.00 0.00 51.96 50.72 2k8s s ALA 64 Cb 0.00 -2.88 0.01 0.00 0.00 0.00 0.00 23.12 20.25 2k8s s ALA 64 CO 0.00 -0.99 1.02 0.00 0.00 0.00 0.00 175.76 175.79 2k8s s ALA 65 N 2.22 3.65 -0.24 0.00 0.00 -1.26 0.26 121.76 126.38 2k8s s ALA 65 Ca 0.16 0.10 0.00 0.00 0.00 0.00 0.00 51.96 52.23 2k8s s ALA 65 Cb -0.16 -3.54 0.04 0.00 0.00 0.00 0.00 23.12 19.46 2k8s s ALA 65 CO 0.12 -1.11 -0.10 -0.06 0.00 0.00 0.00 175.76 174.60 2k8s s PHE 66 N 3.23 3.08 0.23 0.00 0.08 0.50 -4.94 117.98 120.16 2k8s s PHE 66 Ca 0.43 -1.85 -0.30 0.00 0.12 0.00 0.00 56.93 55.34 2k8s s PHE 66 Cb -0.15 -1.99 -0.09 0.00 -0.57 0.00 0.00 43.02 40.23 2k8s s PHE 66 CO 0.08 -0.80 1.05 -1.01 -0.10 0.00 0.00 175.22 174.44 2k8s s HIS 67 N 1.24 3.70 -0.44 0.36 3.76 -1.26 0.16 115.29 122.81 2k8s s HIS 67 Ca -0.02 1.73 0.01 0.00 -0.15 0.00 0.00 55.06 56.62 2k8s s HIS 67 Cb -0.17 -3.19 0.12 0.00 1.11 0.00 0.00 32.58 30.44 2k8s s HIS 67 CO -0.06 -0.27 0.20 0.42 -0.85 0.00 0.00 174.74 174.18 2k8s s ILE 68 N -0.80 2.89 -0.03 0.60 -1.09 0.19 -4.90 121.20 118.06 2k8s s ILE 68 Ca 0.45 -2.52 -0.02 0.00 -2.23 0.00 0.00 60.65 56.32 2k8s s ILE 68 Cb -0.29 -3.01 0.01 0.00 -1.58 0.00 0.00 42.46 37.59 2k8s s ILE 68 CO 0.36 -0.71 0.05 0.59 -1.23 0.00 0.00 174.94 174.00 2k8s n ASN 69 N 4.04 -5.44 -4.58 3.58 3.02 -1.26 -4.24 115.26 110.38 2k8s n ASN 69 Ca 0.03 1.19 -0.41 0.00 -0.03 0.00 0.00 54.58 55.36 2k8s n ASN 69 Cb 0.39 -3.91 -0.03 0.00 -0.61 0.00 0.00 39.78 35.62 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 -0.42 1.48 -0.17 3.10 5.36 -1.26 -4.13 117.98 121.93 2k8s s PHE 70 Ca -0.06 0.82 -0.08 0.00 -0.96 0.00 0.00 56.93 56.66 2k8s s PHE 70 Cb 0.00 -3.97 -0.08 0.00 -0.34 0.00 0.00 43.02 38.64 2k8s s PHE 70 CO 0.15 -3.02 -0.21 0.41 -1.46 0.00 0.00 175.22 171.09 2k8s n GLY 71 N 5.67 -0.27 3.08 13.12 0.00 -1.07 -5.05 105.19 120.67 2k8s n GLY 71 Ca 0.27 -0.09 -0.08 0.00 0.00 0.00 0.00 46.02 46.12 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 -2.31 0.52 -0.00 4.61 0.00 -1.01 -5.02 121.76 118.55 2k8s s ALA 72 Ca -0.24 -1.13 -0.00 0.00 0.00 0.00 0.00 51.96 50.59 2k8s s ALA 72 Cb 0.09 0.23 -0.04 0.00 0.00 0.00 0.00 23.12 23.41 2k8s s ALA 72 CO 0.30 -0.32 0.07 0.20 0.00 0.00 0.00 175.76 176.02 2k8s s GLY 73 N -2.71 2.00 0.45 0.00 0.00 -1.26 -0.14 107.32 105.67 2k8s s GLY 73 Ca 0.04 -0.88 0.25 0.00 0.00 0.00 0.00 44.72 44.14 2k8s s GLY 73 CO -0.08 -0.75 1.78 1.19 0.00 0.00 0.00 173.10 175.23 2k8s h ILE 74 N 3.25 0.32 0.00 0.90 2.10 -1.48 -2.82 117.51 119.78 2k8s h ILE 74 Ca -0.49 -1.06 -0.13 0.00 1.08 0.00 0.00 64.86 64.26 2k8s h ILE 74 Cb 1.18 1.83 -0.02 0.00 -1.09 0.00 0.00 36.82 38.72 2k8s h ILE 74 CO 0.62 0.14 -0.62 -0.78 -1.08 0.00 0.00 178.15 176.43 2k8s h ASP 75 N 0.00 0.00 0.65 2.19 3.58 -1.93 -2.79 116.42 118.12 2k8s h ASP 75 Ca -0.00 0.00 -0.07 0.00 0.42 0.00 0.00 57.03 57.38 2k8s h ASP 75 Cb 0.82 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.86 2k8s h ASP 75 CO 0.02 0.62 -0.32 0.44 -2.88 0.00 0.00 179.24 177.12 2k8s h ASP 76 N 0.00 0.00 -0.16 2.28 5.19 -1.87 -2.89 116.42 118.97 2k8s h ASP 76 Ca -0.01 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.40 2k8s h ASP 76 Cb 1.28 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.79 2k8s h ASP 76 CO 0.08 0.32 0.00 0.18 -3.12 0.00 0.00 179.24 176.70 2k8s n LEU 77 N -3.67 0.98 -1.13 1.55 4.77 -1.05 -3.24 117.00 115.22 2k8s n LEU 77 Ca -0.01 -0.49 0.12 0.00 -0.03 0.00 0.00 56.01 55.60 2k8s n LEU 77 Cb 0.43 -0.15 0.23 0.00 -2.33 0.00 0.00 43.42 41.60 2k8s n LEU 77 CO 0.36 0.23 0.71 0.29 -1.33 0.00 0.00 177.39 177.65 2k8s n LYS 78 N -0.01 2.47 0.00 3.23 5.02 -1.09 -4.85 118.16 122.93 2k8s n LYS 78 Ca 0.06 -2.23 0.00 0.00 -2.02 0.00 0.00 58.31 54.12 2k8s n LYS 78 Cb 0.17 -1.51 0.00 0.00 -0.02 0.00 0.00 35.03 33.67 2k8s n LYS 78 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2k8s n GLY 79 N 1.49 1.15 0.65 0.72 0.00 -1.20 -5.16 105.19 102.85 2k8s n GLY 79 Ca 0.19 -0.07 0.13 0.00 0.00 0.00 0.00 46.02 46.27 2k8s n GLY 79 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76