#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 2.96 0.43 1.55 0.00 -1.16 -4.51 121.76 121.03 2k8s s ALA 2 Ca 0.00 -2.53 0.08 0.00 0.00 0.00 0.00 51.96 49.51 2k8s s ALA 2 Cb 0.00 -4.56 0.01 0.00 0.00 0.00 0.00 23.12 18.57 2k8s s ALA 2 CO 0.00 -3.48 0.59 -1.54 0.00 0.00 0.00 175.76 171.33 2k8s s SER 3 N 4.66 5.62 -0.26 0.00 1.04 -1.26 -4.60 113.70 118.90 2k8s s SER 3 Ca 0.49 -0.40 -0.29 0.00 0.48 0.00 0.00 55.95 56.23 2k8s s SER 3 Cb 0.01 -0.65 -0.01 0.00 0.10 0.00 0.00 66.02 65.47 2k8s s SER 3 CO -0.03 -0.80 1.49 -0.75 0.98 0.00 0.00 173.24 174.13 2k8s s LYS 4 N -4.39 3.82 -0.24 4.02 2.47 -1.26 -1.77 119.74 122.40 2k8s s LYS 4 Ca 0.55 1.47 0.00 0.00 -1.56 0.00 0.00 55.97 56.43 2k8s s LYS 4 Cb -0.10 -3.98 0.06 0.00 -1.46 0.00 0.00 37.83 32.36 2k8s s LYS 4 CO 0.33 -1.25 -0.03 0.00 0.16 0.00 0.00 175.35 174.57 2k8s s ALA 5 N 4.92 1.86 -0.15 3.13 0.00 -0.40 -1.91 121.76 129.20 2k8s s ALA 5 Ca 0.65 -1.34 -0.12 0.00 0.00 0.00 0.00 51.96 51.16 2k8s s ALA 5 Cb -0.21 -1.43 -0.05 0.00 0.00 0.00 0.00 23.12 21.43 2k8s s ALA 5 CO 0.27 -1.23 0.24 0.42 0.00 0.00 0.00 175.76 175.46 2k8s s ILE 6 N 1.44 5.34 -0.40 0.00 -1.09 -0.49 -0.06 121.20 125.94 2k8s s ILE 6 Ca -0.04 0.43 -0.04 0.00 -2.23 0.00 0.00 60.65 58.77 2k8s s ILE 6 Cb -0.19 -3.57 0.10 0.00 -1.58 0.00 0.00 42.46 37.22 2k8s s ILE 6 CO -0.07 0.45 0.19 0.12 -1.23 0.00 0.00 174.94 174.39 2k8s s PHE 7 N 0.12 3.48 -0.04 3.97 5.36 -0.02 0.43 117.98 131.29 2k8s s PHE 7 Ca 0.15 -2.13 -0.23 0.00 -0.96 0.00 0.00 56.93 53.75 2k8s s PHE 7 Cb -0.13 -3.02 -0.04 0.00 -0.34 0.00 0.00 43.02 39.49 2k8s s PHE 7 CO 0.03 -0.92 0.69 0.71 -1.46 0.00 0.00 175.22 174.27 2k8s s TYR 8 N 1.23 3.61 0.20 10.12 2.02 0.37 0.23 117.35 135.13 2k8s s TYR 8 Ca 0.05 1.27 -0.15 0.00 -0.37 0.00 0.00 57.07 57.87 2k8s s TYR 8 Cb -0.23 -2.78 0.02 0.00 -0.40 0.00 0.00 41.96 38.57 2k8s s TYR 8 CO -0.02 0.15 0.48 -3.38 -1.57 0.00 0.00 175.55 171.21 2k8s s HIS 9 N 0.54 0.05 -0.92 2.71 -3.43 -0.90 -0.58 115.29 112.76 2k8s s HIS 9 Ca 0.37 -0.41 0.10 0.00 -0.80 0.00 0.00 55.06 54.32 2k8s s HIS 9 Cb -0.18 0.29 0.29 0.00 -1.43 0.00 0.00 32.58 31.55 2k8s s HIS 9 CO 0.19 -0.91 1.24 0.00 -2.00 0.00 0.00 174.74 173.26 2k8s n ALA 10 N -0.33 2.18 -2.32 -1.38 0.00 -1.26 -0.06 120.51 117.34 2k8s n ALA 10 Ca -0.08 -1.13 -0.05 0.00 0.00 0.00 0.00 53.44 52.19 2k8s n ALA 10 Cb 0.62 -0.43 0.00 0.00 0.00 0.00 0.00 19.45 19.65 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 0.50 0.36 3.93 0.00 0.00 -1.26 -4.33 105.19 104.39 2k8s n GLY 11 Ca 0.11 -0.62 -0.25 0.00 0.00 0.00 0.00 46.02 45.26 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 1.01 0.75 -0.59 0.00 0.11 -1.99 0.13 132.00 131.42 2k8s h PRO 13 Ca -0.49 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 65.56 2k8s h PRO 13 Cb 1.21 -0.17 -0.03 0.00 0.11 0.00 0.00 31.00 32.12 2k8s h PRO 13 CO 0.63 0.50 0.31 0.28 -0.21 0.00 0.00 178.00 179.50 2k8s h VAL 14 N 0.78 1.18 -0.48 3.15 2.07 -1.97 -1.51 116.25 119.47 2k8s h VAL 14 Ca 0.54 -0.48 -0.12 0.00 0.82 0.00 0.00 66.70 67.46 2k8s h VAL 14 Cb 0.76 0.40 -0.02 0.00 -1.52 0.00 0.00 31.29 30.92 2k8s h VAL 14 CO -0.36 0.21 -0.16 0.00 0.02 0.00 0.00 177.57 177.28 2k8s h VAL 16 N 0.82 1.15 -0.44 0.00 2.07 -0.61 0.62 116.25 119.86 2k8s h VAL 16 Ca 0.12 -0.41 -0.01 0.00 0.82 0.00 0.00 66.70 67.23 2k8s h VAL 16 Cb 0.70 0.71 -0.02 0.00 -1.52 0.00 0.00 31.29 31.16 2k8s h VAL 16 CO 0.05 0.16 0.24 0.28 0.02 0.00 0.00 177.57 178.33 2k8s h SER 17 N 0.50 0.54 -0.66 0.57 0.02 -1.11 -0.86 113.55 112.56 2k8s h SER 17 Ca 0.14 -0.09 -0.06 0.00 -0.84 0.00 0.00 61.79 60.95 2k8s h SER 17 Cb 0.07 -0.14 -0.03 0.00 0.14 0.00 0.00 62.40 62.44 2k8s h SER 17 CO -0.02 0.47 0.20 0.00 -1.14 0.00 0.00 176.83 176.34 2k8s h ALA 18 N 1.09 1.07 0.81 3.77 0.00 -0.94 -1.83 119.26 123.24 2k8s h ALA 18 Ca 0.15 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 2k8s h ALA 18 Cb 0.05 -0.27 0.01 0.00 0.00 0.00 0.00 17.79 17.58 2k8s h ALA 18 CO -0.03 0.63 -0.39 1.49 0.00 0.00 0.00 179.25 180.95 2k8s h GLU 19 N 1.01 -1.05 0.00 0.00 4.81 -0.58 0.70 114.58 119.46 2k8s h GLU 19 Ca 0.22 0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.52 2k8s h GLU 19 Cb 0.30 0.24 0.00 0.00 0.63 0.00 0.00 28.75 29.92 2k8s h GLU 19 CO -0.01 -0.70 0.00 1.04 -0.73 0.00 0.00 179.01 178.62 2k8s n GLN 20 N -5.51 0.12 -0.05 1.92 6.02 -0.35 0.32 117.38 119.84 2k8s n GLN 20 Ca -0.14 0.38 -0.05 0.00 -0.01 0.00 0.00 57.00 57.18 2k8s n GLN 20 Cb 0.43 -1.74 -0.02 0.00 1.02 0.00 0.00 30.24 29.94 2k8s n GLN 20 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2k8s n ALA 21 N -1.67 0.74 -0.06 -1.58 0.00 -0.69 -4.49 120.51 112.76 2k8s n ALA 21 Ca 0.02 -0.56 -0.06 0.00 0.00 0.00 0.00 53.44 52.83 2k8s n ALA 21 Cb 0.19 0.03 -0.06 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 -0.59 0.81 -0.15 0.00 2.07 -0.91 -2.46 116.25 115.03 2k8s h VAL 22 Ca 0.00 -1.60 -0.08 0.00 0.82 0.00 0.00 66.70 65.84 2k8s h VAL 22 Cb 0.59 1.53 -0.01 0.00 -1.52 0.00 0.00 31.29 31.87 2k8s h VAL 22 CO 0.00 0.27 -0.26 0.00 0.02 0.00 0.00 177.57 177.61 2k8s h ALA 23 N -0.55 1.29 -0.01 1.67 0.00 -1.05 -2.16 119.26 118.44 2k8s h ALA 23 Ca -0.00 -0.31 -0.15 0.00 0.00 0.00 0.00 54.91 54.45 2k8s h ALA 23 Cb 0.45 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 2k8s h ALA 23 CO 0.00 0.48 -0.71 -0.97 0.00 0.00 0.00 179.25 178.06 2k8s h ASN 24 N 0.25 0.09 0.06 0.00 -1.24 -0.27 -2.91 115.58 111.56 2k8s h ASN 24 Ca 0.04 -0.06 -0.08 0.00 0.71 0.00 0.00 56.30 56.91 2k8s h ASN 24 Cb 0.59 -0.03 -0.01 0.00 0.73 0.00 0.00 38.32 39.60 2k8s h ASN 24 CO 0.04 0.76 -0.24 0.00 -1.29 0.00 0.00 177.43 176.71 2k8s h ALA 25 N 1.23 1.27 -2.06 1.57 0.00 -0.90 -3.41 119.26 116.97 2k8s h ALA 25 Ca -0.01 -0.30 -0.57 0.00 0.00 0.00 0.00 54.91 54.02 2k8s h ALA 25 Cb 1.25 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.88 2k8s h ALA 25 CO 0.10 0.49 0.85 0.42 0.00 0.00 0.00 179.25 181.10 2k8s s ILE 26 N -4.50 4.50 0.07 0.00 1.01 -0.96 -4.99 121.20 116.33 2k8s s ILE 26 Ca -0.06 1.79 -0.31 0.00 0.00 0.00 0.00 60.65 62.08 2k8s s ILE 26 Cb 0.14 -4.24 -0.07 0.00 0.01 0.00 0.00 42.46 38.31 2k8s s ILE 26 CO 0.76 -0.25 1.41 -1.81 0.00 0.00 0.00 174.94 175.05 2k8s s ASP 27 N 1.62 6.82 0.00 3.58 1.01 -1.26 -4.87 116.67 123.56 2k8s s ASP 27 Ca 0.48 2.27 0.15 0.00 0.71 0.00 0.00 52.55 56.16 2k8s s ASP 27 Cb -0.16 -2.58 0.82 0.00 1.01 0.00 0.00 42.92 42.01 2k8s s ASP 27 CO 0.11 -0.69 1.39 -2.65 0.21 0.00 0.00 175.17 173.54 2k8s n PRO 28 N 4.53 0.32 0.00 8.23 -0.02 -1.26 -0.89 135.00 145.92 2k8s n PRO 28 Ca 0.12 0.09 0.12 0.00 -2.02 0.00 0.00 63.50 61.81 2k8s n PRO 28 Cb 0.43 -1.50 0.13 0.00 -0.02 0.00 0.00 33.50 32.53 2k8s n PRO 28 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2k8s n SER 29 N -1.18 1.28 -0.08 2.55 2.88 -1.26 -4.44 113.62 113.38 2k8s n SER 29 Ca 0.09 -1.03 -0.16 0.00 -1.33 0.00 0.00 58.87 56.44 2k8s n SER 29 Cb 0.09 0.45 -0.05 0.00 -0.75 0.00 0.00 64.21 63.95 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 -0.74 0.33 -4.37 -1.46 4.81 -0.06 -4.96 118.16 111.71 2k8s n LYS 30 Ca 0.08 0.14 -0.22 0.00 -0.87 0.00 0.00 58.31 57.44 2k8s n LYS 30 Cb 0.38 -1.06 -0.11 0.00 0.02 0.00 0.00 35.03 34.27 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 -2.31 1.96 -0.88 5.64 2.02 -0.27 -2.98 117.35 120.54 2k8s s TYR 31 Ca -0.22 -0.44 -0.19 0.00 -0.37 0.00 0.00 57.07 55.85 2k8s s TYR 31 Cb 0.08 -0.94 0.12 0.00 -0.40 0.00 0.00 41.96 40.82 2k8s s TYR 31 CO 0.27 0.43 1.08 0.99 -1.57 0.00 0.00 175.55 176.75 2k8s s THR 32 N -2.20 4.69 -0.44 -0.71 2.01 -0.73 -4.08 115.64 114.18 2k8s s THR 32 Ca 0.20 -1.40 -0.23 0.00 0.31 0.00 0.00 61.69 60.57 2k8s s THR 32 Cb -0.05 -4.75 0.02 0.00 0.01 0.00 0.00 72.50 67.73 2k8s s THR 32 CO 0.09 -1.48 0.78 -0.69 -0.69 0.00 0.00 174.62 172.63 2k8s s VAL 33 N 2.83 4.66 -0.35 3.82 1.01 -1.26 -1.27 120.40 129.84 2k8s s VAL 33 Ca 0.30 0.44 -0.04 0.00 0.00 0.00 0.00 61.98 62.68 2k8s s VAL 33 Cb -0.07 -4.31 0.06 0.00 0.00 0.00 0.00 36.38 32.06 2k8s s VAL 33 CO -0.06 -0.70 0.11 -0.70 0.00 0.00 0.00 175.10 173.75 2k8s s GLU 34 N 3.26 2.41 -0.16 2.72 2.12 0.91 -4.99 118.70 124.98 2k8s s GLU 34 Ca 0.30 -1.38 -0.21 0.00 0.36 0.00 0.00 54.97 54.03 2k8s s GLU 34 Cb -0.12 -3.43 -0.03 0.00 0.26 0.00 0.00 34.13 30.81 2k8s s GLU 34 CO 0.22 -0.77 0.64 0.42 -0.54 0.00 0.00 175.26 175.22 2k8s s ILE 35 N 1.30 5.04 -0.19 -3.70 1.01 -1.26 -0.84 121.20 122.55 2k8s s ILE 35 Ca -0.00 1.23 -0.02 0.00 0.00 0.00 0.00 60.65 61.86 2k8s s ILE 35 Cb -0.21 -3.96 -0.00 0.00 0.01 0.00 0.00 42.46 38.30 2k8s s ILE 35 CO -0.00 0.16 -0.10 -0.69 0.00 0.00 0.00 174.94 174.31 2k8s s VAL 36 N 1.56 2.99 -0.32 2.92 1.01 0.14 -4.90 120.40 123.78 2k8s s VAL 36 Ca 0.31 -0.64 -0.23 0.00 0.00 0.00 0.00 61.98 61.41 2k8s s VAL 36 Cb -0.16 -2.31 0.00 0.00 0.00 0.00 0.00 36.38 33.91 2k8s s VAL 36 CO 0.12 0.47 0.78 -2.28 0.00 0.00 0.00 175.10 174.20 2k8s s HIS 37 N 1.17 3.18 -1.65 5.22 2.46 -1.26 -2.12 115.29 122.29 2k8s s HIS 37 Ca 0.02 0.75 0.26 0.00 0.47 0.00 0.00 55.06 56.56 2k8s s HIS 37 Cb -0.14 -3.25 0.70 0.00 -0.13 0.00 0.00 32.58 29.75 2k8s s HIS 37 CO -0.03 -0.60 1.53 1.28 -2.47 0.00 0.00 174.74 174.44 2k8s n LEU 38 N 6.25 0.97 -2.15 8.88 4.77 0.92 -4.43 117.00 132.21 2k8s n LEU 38 Ca 0.03 -0.24 -0.18 0.00 -0.03 0.00 0.00 56.01 55.59 2k8s n LEU 38 Cb 0.48 -0.14 -0.07 0.00 -2.33 0.00 0.00 43.42 41.36 2k8s n LEU 38 CO 0.51 0.19 1.48 0.61 -1.33 0.00 0.00 177.39 178.85 2k8s n GLY 39 N 1.37 3.70 2.12 -0.72 0.00 -1.26 -3.89 105.19 106.51 2k8s n GLY 39 Ca 0.11 -1.37 0.00 0.00 0.00 0.00 0.00 46.02 44.76 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 1.37 0.00 -4.07 2.61 -1.04 -1.26 -5.04 114.28 106.85 2k8s n THR 40 Ca 0.40 0.00 -0.35 0.00 -2.04 0.00 0.00 64.05 62.06 2k8s n THR 40 Cb 0.67 -0.06 -0.10 0.00 -1.82 0.00 0.00 70.33 69.02 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 -2.38 5.56 0.14 8.00 2.15 -1.25 -4.98 116.67 123.91 2k8s s ASP 41 Ca 0.00 0.10 0.24 0.00 0.43 0.00 0.00 52.55 53.32 2k8s s ASP 41 Cb 0.00 -1.90 0.42 0.00 -0.30 0.00 0.00 42.92 41.14 2k8s s ASP 41 CO 0.00 0.21 1.40 0.11 -0.17 0.00 0.00 175.17 176.72 2k8s h LYS 42 N 6.41 0.00 -0.19 4.34 1.57 -1.99 -3.30 116.57 123.41 2k8s h LYS 42 Ca -0.39 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.27 2k8s h LYS 42 Cb 1.18 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.47 2k8s h LYS 42 CO 0.67 0.00 -0.39 0.00 -0.57 0.00 0.00 179.45 179.16 2k8s h ALA 43 N 2.50 0.98 0.00 3.86 0.00 -1.97 -2.06 119.26 122.57 2k8s h ALA 43 Ca 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.49 2k8s h ALA 43 Cb 0.75 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.44 2k8s h ALA 43 CO 0.00 0.62 0.00 0.54 0.00 0.00 0.00 179.25 180.41 2k8s n ARG 44 N -4.04 0.05 -0.19 0.00 1.74 -1.24 -1.60 116.66 111.37 2k8s n ARG 44 Ca -0.01 0.22 -0.10 0.00 -0.77 0.00 0.00 57.85 57.19 2k8s n ARG 44 Cb 0.49 -1.58 0.02 0.00 -1.02 0.00 0.00 32.46 30.37 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 1.27 -0.19 0.55 2.04 -1.51 0.98 117.51 120.65 2k8s h ILE 45 Ca 0.00 -1.18 -0.11 0.00 1.00 0.00 0.00 64.86 64.57 2k8s h ILE 45 Cb 0.36 0.90 -0.01 0.00 -0.74 0.00 0.00 36.82 37.32 2k8s h ILE 45 CO 0.00 0.42 -0.35 0.00 0.00 0.00 0.00 178.15 178.22 2k8s h ALA 46 N 0.95 1.04 -0.28 1.87 0.00 -1.34 -0.84 119.26 120.65 2k8s h ALA 46 Ca 0.15 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 2k8s h ALA 46 Cb 0.59 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 2k8s h ALA 46 CO 0.04 0.59 0.12 1.49 0.00 0.00 0.00 179.25 181.49 2k8s h GLU 47 N 0.35 0.42 -0.62 0.00 4.81 -1.05 0.28 114.58 118.78 2k8s h GLU 47 Ca 0.04 -0.07 -0.08 0.00 -0.13 0.00 0.00 59.36 59.11 2k8s h GLU 47 Cb 0.79 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 30.07 2k8s h GLU 47 CO 0.06 0.44 0.06 0.00 -0.73 0.00 0.00 179.01 178.84 2k8s h ALA 48 N 0.97 0.83 -0.54 2.92 0.00 -0.67 -1.05 119.26 121.72 2k8s h ALA 48 Ca 0.10 -0.28 -0.07 0.00 0.00 0.00 0.00 54.91 54.66 2k8s h ALA 48 Cb 0.17 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 2k8s h ALA 48 CO -0.01 0.62 0.07 1.49 0.00 0.00 0.00 179.25 181.42 2k8s h GLU 49 N 0.96 0.86 -0.52 0.00 4.81 -0.97 0.31 114.58 120.02 2k8s h GLU 49 Ca 0.18 -0.21 -0.04 0.00 -0.13 0.00 0.00 59.36 59.16 2k8s h GLU 49 Cb 0.49 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.73 2k8s h GLU 49 CO 0.02 0.82 0.16 -0.22 -0.73 0.00 0.00 179.01 179.06 2k8s h LYS 50 N 0.82 0.78 0.03 1.92 3.64 -0.01 -2.80 116.57 120.94 2k8s h LYS 50 Ca 0.17 -0.14 -0.21 0.00 -1.27 0.00 0.00 60.65 59.20 2k8s h LYS 50 Cb 0.39 -0.13 0.02 0.00 -0.41 0.00 0.00 32.23 32.10 2k8s h LYS 50 CO 0.01 0.68 -0.84 0.00 -2.27 0.00 0.00 179.45 177.03 2k8s h ALA 51 N 1.42 0.07 0.00 5.00 0.00 -0.73 -3.48 119.26 121.53 2k8s h ALA 51 Ca 0.18 -0.64 0.00 0.00 0.00 0.00 0.00 54.91 54.44 2k8s h ALA 51 Cb 0.23 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.07 2k8s h ALA 51 CO -0.01 0.50 0.00 0.41 0.00 0.00 0.00 179.25 180.15 2k8s n GLY 52 N 1.16 1.98 3.74 0.00 0.00 0.81 -4.92 105.19 107.96 2k8s n GLY 52 Ca -0.11 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.50 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 4.65 -0.10 1.61 1.01 0.39 -4.95 120.40 121.01 2k8s s VAL 53 Ca 0.00 1.79 0.05 0.00 0.00 0.00 0.00 61.98 63.82 2k8s s VAL 53 Cb 0.00 -4.19 -0.09 0.00 0.00 0.00 0.00 36.38 32.10 2k8s s VAL 53 CO 0.00 0.35 -0.02 0.29 0.00 0.00 0.00 175.10 175.71 2k8s n LYS 54 N 2.81 1.64 -4.20 2.72 5.02 -1.26 -4.43 118.16 120.46 2k8s n LYS 54 Ca -0.01 0.02 -0.12 0.00 -2.02 0.00 0.00 58.31 56.19 2k8s n LYS 54 Cb 0.50 -1.22 -0.10 0.00 -0.02 0.00 0.00 35.03 34.19 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 -4.48 1.22 0.05 4.39 0.01 -1.26 -0.14 113.70 113.50 2k8s s SER 55 Ca -0.09 -1.05 0.08 0.00 1.31 0.00 0.00 55.95 56.20 2k8s s SER 55 Cb 0.03 0.09 -0.03 0.00 0.21 0.00 0.00 66.02 66.32 2k8s s SER 55 CO 0.31 -0.48 -0.21 0.68 0.41 0.00 0.00 173.24 173.95 2k8s s VAL 56 N -3.60 1.70 0.52 3.43 -7.23 0.09 -3.94 120.40 111.38 2k8s s VAL 56 Ca 0.15 -1.27 -0.17 0.00 -1.81 0.00 0.00 61.98 58.88 2k8s s VAL 56 Cb 0.05 -1.49 -0.07 0.00 0.56 0.00 0.00 36.38 35.43 2k8s s VAL 56 CO -0.02 0.17 1.01 -2.84 -0.31 0.00 0.00 175.10 173.10 2k8s s PRO 57 N -1.31 3.80 -0.02 4.82 0.02 -1.25 -0.78 135.00 140.27 2k8s s PRO 57 Ca 0.08 1.07 0.00 0.00 0.02 0.00 0.00 61.00 62.17 2k8s s PRO 57 Cb -0.09 -2.11 0.02 0.00 0.02 0.00 0.00 34.50 32.34 2k8s s PRO 57 CO 0.02 -0.40 -0.00 0.00 -0.33 0.00 0.00 177.00 176.29 2k8s s ALA 58 N -2.48 0.23 -0.38 -1.55 0.00 0.25 -0.06 121.76 117.77 2k8s s ALA 58 Ca 0.61 0.09 -0.09 0.00 0.00 0.00 0.00 51.96 52.57 2k8s s ALA 58 Cb -0.12 -0.20 0.05 0.00 0.00 0.00 0.00 23.12 22.85 2k8s s ALA 58 CO 0.30 -0.03 0.21 -1.17 0.00 0.00 0.00 175.76 175.06 2k8s s LEU 59 N 0.62 4.81 -0.59 0.00 0.20 0.12 -0.48 118.68 123.35 2k8s s LEU 59 Ca -0.06 -1.22 -0.22 0.00 0.69 0.00 0.00 54.13 53.32 2k8s s LEU 59 Cb -0.09 -1.98 0.06 0.00 -0.43 0.00 0.00 46.19 43.75 2k8s s LEU 59 CO -0.01 -0.43 0.88 -0.69 -0.29 0.00 0.00 176.35 175.80 2k8s s VAL 60 N 1.47 4.48 -0.47 1.68 1.01 0.17 -0.05 120.40 128.70 2k8s s VAL 60 Ca 0.02 -0.22 -0.17 0.00 0.00 0.00 0.00 61.98 61.61 2k8s s VAL 60 Cb -0.21 -4.55 0.05 0.00 0.00 0.00 0.00 36.38 31.68 2k8s s VAL 60 CO 0.04 -1.20 0.47 -0.63 0.00 0.00 0.00 175.10 173.79 2k8s s ILE 61 N 3.66 5.09 -1.35 2.22 1.01 0.11 -1.40 121.20 130.54 2k8s s ILE 61 Ca 0.23 -0.71 0.00 0.00 0.00 0.00 0.00 60.65 60.17 2k8s s ILE 61 Cb -0.16 -4.15 0.00 0.00 0.01 0.00 0.00 42.46 38.15 2k8s s ILE 61 CO 0.13 -0.61 0.00 -0.67 0.00 0.00 0.00 174.94 173.79 2k8s n ASP 62 N 5.60 -5.27 0.00 3.58 2.03 -0.80 -1.06 116.55 120.63 2k8s n ASP 62 Ca -0.09 0.32 0.00 0.00 0.52 0.00 0.00 54.79 55.53 2k8s n ASP 62 Cb 0.45 -3.89 0.00 0.00 -0.72 0.00 0.00 41.12 36.96 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 -0.44 2.14 3.56 0.27 0.00 -1.26 -5.07 105.19 104.39 2k8s n GLY 63 Ca -0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.48 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 -2.18 3.45 -0.41 4.61 0.00 -0.22 -4.99 121.76 122.02 2k8s s ALA 64 Ca 0.00 -0.97 -0.25 0.00 0.00 0.00 0.00 51.96 50.74 2k8s s ALA 64 Cb 0.00 -3.11 0.02 0.00 0.00 0.00 0.00 23.12 20.03 2k8s s ALA 64 CO 0.00 -1.33 0.91 0.00 0.00 0.00 0.00 175.76 175.33 2k8s s ALA 65 N 2.56 3.33 -0.40 0.00 0.00 -1.26 0.10 121.76 126.10 2k8s s ALA 65 Ca 0.21 -0.63 -0.10 0.00 0.00 0.00 0.00 51.96 51.45 2k8s s ALA 65 Cb -0.15 -3.56 0.06 0.00 0.00 0.00 0.00 23.12 19.47 2k8s s ALA 65 CO 0.14 -1.79 0.23 -0.06 0.00 0.00 0.00 175.76 174.28 2k8s s PHE 66 N 3.55 3.30 0.28 0.00 0.08 0.93 -4.91 117.98 121.21 2k8s s PHE 66 Ca 0.37 -1.34 -0.29 0.00 0.12 0.00 0.00 56.93 55.78 2k8s s PHE 66 Cb -0.11 -2.74 -0.10 0.00 -0.57 0.00 0.00 43.02 39.50 2k8s s PHE 66 CO 0.22 -0.78 1.19 -1.01 -0.10 0.00 0.00 175.22 174.74 2k8s s HIS 67 N 1.46 3.38 -0.58 0.36 3.76 -1.26 0.11 115.29 122.52 2k8s s HIS 67 Ca 0.02 1.55 -0.02 0.00 -0.15 0.00 0.00 55.06 56.46 2k8s s HIS 67 Cb -0.22 -3.44 0.15 0.00 1.11 0.00 0.00 32.58 30.18 2k8s s HIS 67 CO 0.04 -1.11 0.38 0.42 -0.85 0.00 0.00 174.74 173.62 2k8s s ILE 68 N -0.93 3.53 0.09 0.60 1.01 0.92 -4.89 121.20 121.53 2k8s s ILE 68 Ca 0.48 -2.85 0.00 0.00 0.00 0.00 0.00 60.65 58.28 2k8s s ILE 68 Cb -0.35 -3.33 0.00 0.00 0.01 0.00 0.00 42.46 38.79 2k8s s ILE 68 CO 0.44 -0.84 0.00 0.59 0.00 0.00 0.00 174.94 175.13 2k8s n ASN 69 N 3.63 -5.19 -3.86 3.58 3.02 -1.26 -3.97 115.26 111.20 2k8s n ASN 69 Ca 0.06 0.44 -0.30 0.00 -0.03 0.00 0.00 54.58 54.75 2k8s n ASN 69 Cb 0.38 -1.23 -0.15 0.00 -0.61 0.00 0.00 39.78 38.16 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 -0.72 2.30 -0.20 3.10 5.36 -1.26 -4.39 117.98 122.16 2k8s s PHE 70 Ca 0.00 -1.91 -0.16 0.00 -0.96 0.00 0.00 56.93 53.90 2k8s s PHE 70 Cb 0.00 -1.84 -0.09 0.00 -0.34 0.00 0.00 43.02 40.75 2k8s s PHE 70 CO 0.00 -0.83 -0.25 0.41 -1.46 0.00 0.00 175.22 173.09 2k8s n GLY 71 N 4.69 -0.63 3.07 13.12 0.00 0.04 -5.00 105.19 120.47 2k8s n GLY 71 Ca -0.05 -0.19 -0.08 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.70 0.47 -0.09 4.61 0.00 -1.03 -5.01 121.76 118.01 2k8s s ALA 72 Ca -0.29 -1.05 0.01 0.00 0.00 0.00 0.00 51.96 50.64 2k8s s ALA 72 Cb 0.07 0.21 -0.02 0.00 0.00 0.00 0.00 23.12 23.38 2k8s s ALA 72 CO 0.42 -0.28 -0.13 0.20 0.00 0.00 0.00 175.76 175.97 2k8s s GLY 73 N -2.50 1.55 0.30 0.00 0.00 -1.26 -0.73 107.32 104.68 2k8s s GLY 73 Ca 0.01 -0.93 0.03 0.00 0.00 0.00 0.00 44.72 43.83 2k8s s GLY 73 CO -0.07 -0.47 1.77 1.19 0.00 0.00 0.00 173.10 175.52 2k8s h ILE 74 N 4.85 1.24 -0.01 0.90 2.10 -0.87 -2.31 117.51 123.41 2k8s h ILE 74 Ca -0.37 -1.09 -0.08 0.00 1.08 0.00 0.00 64.86 64.40 2k8s h ILE 74 Cb 1.18 1.19 -0.01 0.00 -1.09 0.00 0.00 36.82 38.09 2k8s h ILE 74 CO 0.53 0.36 -0.37 -0.78 -1.08 0.00 0.00 178.15 176.81 2k8s h ASP 75 N 0.47 0.02 0.39 2.19 3.58 -1.92 0.24 116.42 121.40 2k8s h ASP 75 Ca 0.08 -0.01 -0.22 0.00 0.42 0.00 0.00 57.03 57.31 2k8s h ASP 75 Cb 0.54 -0.01 -0.00 0.00 1.72 0.00 0.00 39.33 41.59 2k8s h ASP 75 CO 0.03 0.39 -0.93 -0.78 -2.88 0.00 0.00 179.24 175.07 2k8s h ASP 76 N 0.02 0.47 0.96 2.28 3.58 -1.78 -3.26 116.42 118.69 2k8s h ASP 76 Ca -0.00 -0.38 -0.13 0.00 0.42 0.00 0.00 57.03 56.95 2k8s h ASP 76 Cb 0.66 -0.14 -0.02 0.00 1.72 0.00 0.00 39.33 41.54 2k8s h ASP 76 CO 0.05 1.18 -1.10 -0.07 -2.88 0.00 0.00 179.24 176.41 2k8s h LEU 77 N 0.20 0.00 -8.71 2.28 3.38 -1.10 -3.45 115.31 107.91 2k8s h LEU 77 Ca -0.07 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 57.34 2k8s h LEU 77 Cb 1.56 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 42.26 2k8s h LEU 77 CO 0.16 0.47 1.05 -0.75 0.09 0.00 0.00 178.44 179.46 2k8s s LYS 78 N -3.00 3.52 0.17 1.13 2.20 0.80 -4.96 119.74 119.60 2k8s s LYS 78 Ca -0.01 0.71 -0.15 0.00 -0.36 0.00 0.00 55.97 56.16 2k8s s LYS 78 Cb 0.08 -4.03 0.02 0.00 -1.51 0.00 0.00 37.83 32.39 2k8s s LYS 78 CO 0.79 -1.65 0.44 0.20 -0.36 0.00 0.00 175.35 174.77 2k8s s GLY 79 N 3.80 -0.00 0.00 5.54 0.00 -1.26 -4.91 107.32 110.48 2k8s s GLY 79 Ca 0.56 -0.34 0.00 0.00 0.00 0.00 0.00 44.72 44.94 2k8s s GLY 79 CO 0.30 -0.40 0.32 1.44 0.00 0.00 0.00 173.10 174.76