#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 2.58 0.75 3.52 0.00 -1.26 -4.87 121.76 122.49 2k8s s ALA 2 Ca 0.00 -2.23 -0.11 0.00 0.00 0.00 0.00 51.96 49.62 2k8s s ALA 2 Cb 0.00 -4.56 0.04 0.00 0.00 0.00 0.00 23.12 18.60 2k8s s ALA 2 CO 0.00 -3.85 1.08 -1.12 0.00 0.00 0.00 175.76 171.87 2k8s s SER 3 N 5.46 4.88 -0.25 0.00 0.01 -1.26 -4.78 113.70 117.75 2k8s s SER 3 Ca 0.52 1.42 -0.21 0.00 1.31 0.00 0.00 55.95 59.00 2k8s s SER 3 Cb -0.01 -2.21 -0.02 0.00 0.21 0.00 0.00 66.02 64.00 2k8s s SER 3 CO -0.05 -1.74 0.65 -0.75 0.41 0.00 0.00 173.24 171.76 2k8s s LYS 4 N -5.12 4.12 -0.26 12.44 2.47 -1.26 -2.84 119.74 129.29 2k8s s LYS 4 Ca 0.60 0.58 -0.01 0.00 -1.56 0.00 0.00 55.97 55.58 2k8s s LYS 4 Cb -0.14 -3.65 0.04 0.00 -1.46 0.00 0.00 37.83 32.62 2k8s s LYS 4 CO 0.54 -0.41 -0.06 0.00 0.16 0.00 0.00 175.35 175.58 2k8s s ALA 5 N 2.51 2.68 -0.22 3.13 0.00 -0.72 -1.69 121.76 127.45 2k8s s ALA 5 Ca 0.27 -1.58 -0.07 0.00 0.00 0.00 0.00 51.96 50.58 2k8s s ALA 5 Cb -0.15 -1.70 -0.04 0.00 0.00 0.00 0.00 23.12 21.23 2k8s s ALA 5 CO 0.08 -0.97 0.07 0.42 0.00 0.00 0.00 175.76 175.36 2k8s s ILE 6 N 1.26 4.57 -0.32 0.00 -1.09 -0.70 0.32 121.20 125.25 2k8s s ILE 6 Ca -0.03 -0.10 -0.06 0.00 -2.23 0.00 0.00 60.65 58.23 2k8s s ILE 6 Cb -0.18 -3.10 0.03 0.00 -1.58 0.00 0.00 42.46 37.63 2k8s s ILE 6 CO -0.04 0.39 0.09 0.12 -1.23 0.00 0.00 174.94 174.26 2k8s s PHE 7 N 1.03 3.20 -0.17 3.97 5.36 0.66 0.38 117.98 132.40 2k8s s PHE 7 Ca 0.04 -1.23 -0.08 0.00 -0.96 0.00 0.00 56.93 54.69 2k8s s PHE 7 Cb -0.14 -2.26 -0.05 0.00 -0.34 0.00 0.00 43.02 40.24 2k8s s PHE 7 CO 0.03 -0.66 0.12 0.71 -1.46 0.00 0.00 175.22 173.96 2k8s s TYR 8 N 1.44 3.43 0.29 10.12 2.02 0.92 -0.09 117.35 135.48 2k8s s TYR 8 Ca 0.00 0.34 -0.19 0.00 -0.37 0.00 0.00 57.07 56.86 2k8s s TYR 8 Cb -0.18 -2.07 0.02 0.00 -0.40 0.00 0.00 41.96 39.32 2k8s s TYR 8 CO 0.02 0.40 0.68 -3.38 -1.57 0.00 0.00 175.55 171.71 2k8s s HIS 9 N -0.07 -0.04 -0.42 2.71 -3.43 -0.95 -0.88 115.29 112.21 2k8s s HIS 9 Ca 0.09 -0.42 0.09 0.00 -0.80 0.00 0.00 55.06 54.02 2k8s s HIS 9 Cb -0.11 0.62 0.23 0.00 -1.43 0.00 0.00 32.58 31.89 2k8s s HIS 9 CO 0.00 -1.23 1.18 0.00 -2.00 0.00 0.00 174.74 172.69 2k8s n ALA 10 N -0.46 2.25 -0.69 -1.38 0.00 -1.26 0.02 120.51 118.99 2k8s n ALA 10 Ca -0.04 -1.43 0.00 0.00 0.00 0.00 0.00 53.44 51.97 2k8s n ALA 10 Cb 0.60 -0.32 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 -0.20 0.78 3.74 0.00 0.00 -1.26 -4.64 105.19 103.62 2k8s n GLY 11 Ca 0.10 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.76 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 0.49 0.80 -0.80 0.00 0.13 -1.99 0.13 132.00 130.75 2k8s h PRO 13 Ca -0.50 -0.05 0.05 0.00 -0.87 0.00 0.00 66.00 64.63 2k8s h PRO 13 Cb 1.30 -0.18 -0.05 0.00 0.13 0.00 0.00 31.00 32.20 2k8s h PRO 13 CO 0.53 0.53 0.53 0.28 -0.23 0.00 0.00 178.00 179.64 2k8s h VAL 14 N 0.82 1.09 -0.15 1.56 2.07 -1.96 -2.28 116.25 117.41 2k8s h VAL 14 Ca 0.51 -0.32 -0.22 0.00 0.82 0.00 0.00 66.70 67.49 2k8s h VAL 14 Cb 0.64 0.07 0.01 0.00 -1.52 0.00 0.00 31.29 30.49 2k8s h VAL 14 CO -0.32 0.17 -0.77 0.00 0.02 0.00 0.00 177.57 176.67 2k8s h VAL 16 N 0.51 1.00 -0.17 0.00 2.07 -0.54 0.25 116.25 119.36 2k8s h VAL 16 Ca -0.05 -0.23 -0.00 0.00 0.82 0.00 0.00 66.70 67.24 2k8s h VAL 16 Cb 1.39 0.26 -0.01 0.00 -1.52 0.00 0.00 31.29 31.41 2k8s h VAL 16 CO 0.16 0.12 0.10 0.28 0.02 0.00 0.00 177.57 178.25 2k8s h SER 17 N 0.68 0.21 -0.48 0.57 0.02 -1.54 -2.40 113.55 110.62 2k8s h SER 17 Ca 0.28 -0.08 -0.04 0.00 -0.84 0.00 0.00 61.79 61.11 2k8s h SER 17 Cb 0.13 -0.05 -0.02 0.00 0.14 0.00 0.00 62.40 62.60 2k8s h SER 17 CO -0.16 0.23 0.14 0.00 -1.14 0.00 0.00 176.83 175.90 2k8s h ALA 18 N 1.00 0.63 0.54 3.77 0.00 -1.38 -2.24 119.26 121.58 2k8s h ALA 18 Ca 0.06 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 2k8s h ALA 18 Cb 0.06 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 2k8s h ALA 18 CO -0.01 0.30 -0.48 1.49 0.00 0.00 0.00 179.25 180.54 2k8s h GLU 19 N 0.65 -0.97 0.00 0.00 4.81 -0.41 0.07 114.58 118.73 2k8s h GLU 19 Ca 0.15 0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.45 2k8s h GLU 19 Cb 0.29 0.22 0.00 0.00 0.63 0.00 0.00 28.75 29.89 2k8s h GLU 19 CO -0.00 -0.65 0.00 1.96 -0.73 0.00 0.00 179.01 179.59 2k8s h GLN 20 N -1.01 0.00 0.00 1.92 4.20 -1.45 -2.46 115.11 116.31 2k8s h GLN 20 Ca -0.07 0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.57 2k8s h GLN 20 Cb 0.86 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.63 2k8s h GLN 20 CO -0.02 0.00 -0.82 0.00 -0.67 0.00 0.00 178.83 177.32 2k8s n ALA 21 N -1.90 0.61 -0.10 3.87 0.00 -0.85 -4.21 120.51 117.93 2k8s n ALA 21 Ca 0.04 -0.51 -0.13 0.00 0.00 0.00 0.00 53.44 52.83 2k8s n ALA 21 Cb 0.40 -0.09 -0.02 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 -1.00 1.27 0.00 0.00 2.07 -1.07 -1.24 116.25 116.29 2k8s h VAL 22 Ca -0.10 -1.61 0.00 0.00 0.82 0.00 0.00 66.70 65.80 2k8s h VAL 22 Cb 0.78 1.47 0.00 0.00 -1.52 0.00 0.00 31.29 32.02 2k8s h VAL 22 CO -0.06 0.53 0.00 0.00 0.02 0.00 0.00 177.57 178.06 2k8s n ALA 23 N -2.55 2.14 -0.02 1.67 0.00 -0.93 -1.35 120.51 119.48 2k8s n ALA 23 Ca -0.03 -0.11 0.05 0.00 0.00 0.00 0.00 53.44 53.35 2k8s n ALA 23 Cb 0.57 -1.34 -0.11 0.00 0.00 0.00 0.00 19.45 18.58 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 -1.20 1.80 0.01 0.00 5.03 -0.98 -4.43 115.26 115.49 2k8s n ASN 24 Ca 0.12 0.00 -0.14 0.00 0.87 0.00 0.00 54.58 55.43 2k8s n ASN 24 Cb 0.13 1.50 -0.02 0.00 -1.02 0.00 0.00 39.78 40.38 2k8s n ASN 24 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2k8s h ALA 25 N 1.17 0.46 -2.22 5.41 0.00 -0.27 -3.40 119.26 120.41 2k8s h ALA 25 Ca -0.06 -0.60 -0.66 0.00 0.00 0.00 0.00 54.91 53.59 2k8s h ALA 25 Cb 0.83 -0.04 -0.16 0.00 0.00 0.00 0.00 17.79 18.42 2k8s h ALA 25 CO 0.00 0.72 0.05 0.42 0.00 0.00 0.00 179.25 180.45 2k8s s ILE 26 N -3.72 4.88 0.20 0.00 1.01 -0.46 -5.04 121.20 118.08 2k8s s ILE 26 Ca -0.08 0.01 -0.31 0.00 0.00 0.00 0.00 60.65 60.27 2k8s s ILE 26 Cb 0.10 -4.17 -0.11 0.00 0.01 0.00 0.00 42.46 38.29 2k8s s ILE 26 CO 0.87 -0.56 1.58 -1.81 0.00 0.00 0.00 174.94 175.02 2k8s s ASP 27 N 1.96 6.54 0.50 3.58 1.01 -1.26 -4.79 116.67 124.21 2k8s s ASP 27 Ca 0.20 2.70 0.22 0.00 0.71 0.00 0.00 52.55 56.39 2k8s s ASP 27 Cb -0.15 -2.60 1.33 0.00 1.01 0.00 0.00 42.92 42.51 2k8s s ASP 27 CO 0.18 -0.84 2.07 1.55 0.21 0.00 0.00 175.17 178.33 2k8s h PRO 28 N 6.36 0.00 0.00 8.23 0.13 -1.85 0.42 132.00 145.30 2k8s h PRO 28 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 2k8s h PRO 28 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2k8s h PRO 28 CO 0.89 0.13 0.00 0.66 -0.23 0.00 0.00 178.00 179.45 2k8s h SER 29 N 0.00 0.00 0.00 1.44 4.64 -2.00 -3.10 113.55 114.53 2k8s h SER 29 Ca -0.00 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.28 2k8s h SER 29 Cb 0.28 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.36 2k8s h SER 29 CO 0.02 0.00 -0.46 0.50 -0.87 0.00 0.00 176.83 176.01 2k8s h LYS 30 N 0.00 0.00 -4.18 4.77 3.64 -1.44 -3.47 116.57 115.89 2k8s h LYS 30 Ca 0.00 0.00 -0.46 0.00 -1.27 0.00 0.00 60.65 58.92 2k8s h LYS 30 Cb 0.79 0.00 -0.35 0.00 -0.41 0.00 0.00 32.23 32.26 2k8s h LYS 30 CO 0.00 0.21 -0.79 0.71 -2.27 0.00 0.00 179.45 177.31 2k8s s TYR 31 N -2.09 1.06 -0.50 1.91 2.02 -0.04 -4.18 117.35 115.53 2k8s s TYR 31 Ca -0.13 -0.38 -0.28 0.00 -0.37 0.00 0.00 57.07 55.90 2k8s s TYR 31 Cb 0.02 -0.88 0.02 0.00 -0.40 0.00 0.00 41.96 40.71 2k8s s TYR 31 CO 0.25 -0.28 1.33 0.99 -1.57 0.00 0.00 175.55 176.27 2k8s s THR 32 N 1.06 3.93 -0.32 -0.71 2.01 -1.13 -3.81 115.64 116.67 2k8s s THR 32 Ca -0.08 0.88 -0.23 0.00 0.31 0.00 0.00 61.69 62.56 2k8s s THR 32 Cb -0.14 -4.44 0.00 0.00 0.01 0.00 0.00 72.50 67.93 2k8s s THR 32 CO -0.01 -1.04 0.79 -0.69 -0.69 0.00 0.00 174.62 172.99 2k8s s VAL 33 N 5.43 4.77 -0.22 3.82 1.01 -1.26 -1.76 120.40 132.19 2k8s s VAL 33 Ca 0.53 1.13 -0.06 0.00 0.00 0.00 0.00 61.98 63.58 2k8s s VAL 33 Cb -0.10 -4.17 -0.02 0.00 0.00 0.00 0.00 36.38 32.08 2k8s s VAL 33 CO 0.29 -0.30 0.03 -0.70 0.00 0.00 0.00 175.10 174.41 2k8s s GLU 34 N 3.01 3.61 -0.10 2.72 2.12 0.15 -4.99 118.70 125.22 2k8s s GLU 34 Ca 0.32 -0.51 -0.18 0.00 0.36 0.00 0.00 54.97 54.97 2k8s s GLU 34 Cb -0.14 -3.18 -0.04 0.00 0.26 0.00 0.00 34.13 31.03 2k8s s GLU 34 CO 0.14 -0.09 0.48 0.42 -0.54 0.00 0.00 175.26 175.66 2k8s s ILE 35 N 1.31 5.16 -0.20 -3.70 -1.09 -1.26 -0.24 121.20 121.18 2k8s s ILE 35 Ca 0.04 0.96 0.01 0.00 -2.23 0.00 0.00 60.65 59.43 2k8s s ILE 35 Cb -0.15 -3.81 0.04 0.00 -1.58 0.00 0.00 42.46 36.96 2k8s s ILE 35 CO 0.02 0.35 -0.10 -0.69 -1.23 0.00 0.00 174.94 173.28 2k8s s VAL 36 N 0.46 1.66 -0.30 2.92 1.01 0.88 -4.92 120.40 122.11 2k8s s VAL 36 Ca 0.26 -1.04 -0.21 0.00 0.00 0.00 0.00 61.98 60.99 2k8s s VAL 36 Cb -0.15 -1.75 -0.01 0.00 0.00 0.00 0.00 36.38 34.47 2k8s s VAL 36 CO 0.11 0.15 0.64 -2.28 0.00 0.00 0.00 175.10 173.73 2k8s s HIS 37 N 1.38 3.22 -1.30 5.22 2.46 -1.26 -2.23 115.29 122.78 2k8s s HIS 37 Ca -0.02 0.64 0.25 0.00 0.47 0.00 0.00 55.06 56.40 2k8s s HIS 37 Cb -0.16 -2.99 1.19 0.00 -0.13 0.00 0.00 32.58 30.49 2k8s s HIS 37 CO -0.08 -0.46 1.81 1.28 -2.47 0.00 0.00 174.74 174.83 2k8s n LEU 38 N 5.88 0.00 -0.05 8.88 4.77 0.10 -2.40 117.00 134.19 2k8s n LEU 38 Ca -0.01 0.35 0.13 0.00 -0.03 0.00 0.00 56.01 56.45 2k8s n LEU 38 Cb 0.49 -0.35 0.38 0.00 -2.33 0.00 0.00 43.42 41.60 2k8s n LEU 38 CO 0.46 -0.06 0.62 0.61 -1.33 0.00 0.00 177.39 177.69 2k8s n GLY 39 N 0.88 -1.17 0.09 -0.72 0.00 -1.26 -3.79 105.19 99.21 2k8s n GLY 39 Ca 0.10 -0.30 -0.13 0.00 0.00 0.00 0.00 46.02 45.69 2k8s n GLY 39 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2k8s h THR 40 N 0.23 1.26 -2.14 2.61 2.02 -1.86 -3.47 112.91 111.56 2k8s h THR 40 Ca 0.00 -2.95 -0.03 0.00 0.77 0.00 0.00 66.41 64.19 2k8s h THR 40 Cb 0.48 2.73 -0.22 0.00 -1.74 0.00 0.00 68.15 69.41 2k8s h THR 40 CO 0.00 0.80 0.01 -0.62 0.37 0.00 0.00 175.52 176.09 2k8s s ASP 41 N -6.76 -0.76 0.39 4.18 2.15 -1.25 -5.04 116.67 109.57 2k8s s ASP 41 Ca -0.05 1.36 0.21 0.00 0.43 0.00 0.00 52.55 54.50 2k8s s ASP 41 Cb 0.08 1.31 0.25 0.00 -0.30 0.00 0.00 42.92 44.27 2k8s s ASP 41 CO 0.84 -0.23 1.53 0.11 -0.17 0.00 0.00 175.17 177.25 2k8s h LYS 42 N 5.93 0.00 -0.12 4.34 1.57 -1.92 -3.24 116.57 123.13 2k8s h LYS 42 Ca -0.30 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.33 2k8s h LYS 42 Cb 1.19 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.49 2k8s h LYS 42 CO 0.13 0.11 -0.58 0.00 -0.57 0.00 0.00 179.45 178.55 2k8s h ALA 43 N 1.89 0.80 0.00 3.86 0.00 -1.96 -2.10 119.26 121.74 2k8s h ALA 43 Ca -0.00 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.38 2k8s h ALA 43 Cb 1.09 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.80 2k8s h ALA 43 CO 0.01 0.70 0.00 0.00 0.00 0.00 0.00 179.25 179.97 2k8s h ARG 44 N 0.28 0.00 -0.47 0.00 3.08 -1.95 -1.90 114.38 113.42 2k8s h ARG 44 Ca -0.00 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 59.94 2k8s h ARG 44 Cb 1.09 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.13 2k8s h ARG 44 CO 0.10 0.00 -0.12 0.82 -1.07 0.00 0.00 179.97 179.70 2k8s h ILE 45 N 0.00 1.27 -0.36 2.04 2.04 -1.42 -1.05 117.51 120.03 2k8s h ILE 45 Ca 0.00 -1.24 -0.06 0.00 1.00 0.00 0.00 64.86 64.56 2k8s h ILE 45 Cb 0.65 1.11 -0.02 0.00 -0.74 0.00 0.00 36.82 37.81 2k8s h ILE 45 CO 0.00 0.43 -0.04 0.00 0.00 0.00 0.00 178.15 178.54 2k8s h ALA 46 N 0.88 1.27 0.11 1.87 0.00 -1.06 0.22 119.26 122.55 2k8s h ALA 46 Ca 0.12 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 2k8s h ALA 46 Cb 0.67 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.30 2k8s h ALA 46 CO 0.05 0.49 -0.05 1.49 0.00 0.00 0.00 179.25 181.22 2k8s h GLU 47 N 0.55 -0.14 -0.66 0.00 4.81 -1.09 0.43 114.58 118.48 2k8s h GLU 47 Ca 0.11 0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.40 2k8s h GLU 47 Cb 0.40 0.03 -0.05 0.00 0.63 0.00 0.00 28.75 29.76 2k8s h GLU 47 CO 0.02 -0.06 0.37 0.00 -0.73 0.00 0.00 179.01 178.61 2k8s h ALA 48 N 0.72 0.88 -0.40 2.92 0.00 -0.82 0.00 119.26 122.55 2k8s h ALA 48 Ca -0.01 0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.94 2k8s h ALA 48 Cb 0.14 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 2k8s h ALA 48 CO 0.02 0.06 0.20 1.49 0.00 0.00 0.00 179.25 181.03 2k8s h GLU 49 N 0.70 0.40 -0.71 0.00 4.81 -0.71 0.26 114.58 119.33 2k8s h GLU 49 Ca 0.29 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.47 2k8s h GLU 49 Cb 0.15 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.41 2k8s h GLU 49 CO -0.17 0.26 0.33 0.87 -0.73 0.00 0.00 179.01 179.58 2k8s h LYS 50 N 0.41 1.03 -0.60 1.92 1.57 -0.18 -2.92 116.57 117.79 2k8s h LYS 50 Ca 0.17 -0.16 -0.07 0.00 -1.87 0.00 0.00 60.65 58.72 2k8s h LYS 50 Cb 0.08 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.18 2k8s h LYS 50 CO -0.12 0.82 0.09 0.00 -0.57 0.00 0.00 179.45 179.67 2k8s h ALA 51 N 1.16 0.80 0.00 3.86 0.00 -0.60 -3.47 119.26 121.01 2k8s h ALA 51 Ca 0.24 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2k8s h ALA 51 Cb 0.14 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.70 2k8s h ALA 51 CO -0.03 0.56 0.00 0.41 0.00 0.00 0.00 179.25 180.19 2k8s n GLY 52 N -0.55 0.84 3.52 0.00 0.00 -0.23 -4.88 105.19 103.89 2k8s n GLY 52 Ca 0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.84 4.45 -0.91 1.61 1.01 0.76 -4.84 120.40 121.64 2k8s s VAL 53 Ca 0.00 0.26 0.16 0.00 0.00 0.00 0.00 61.98 62.39 2k8s s VAL 53 Cb 0.00 -4.50 -0.13 0.00 0.00 0.00 0.00 36.38 31.75 2k8s s VAL 53 CO 0.00 -1.05 0.71 0.29 0.00 0.00 0.00 175.10 175.05 2k8s n LYS 54 N 7.30 1.82 -3.82 2.72 5.02 -1.26 -4.13 118.16 125.82 2k8s n LYS 54 Ca 0.01 -0.18 -0.10 0.00 -2.02 0.00 0.00 58.31 56.02 2k8s n LYS 54 Cb 0.47 -1.24 -0.07 0.00 -0.02 0.00 0.00 35.03 34.17 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 -2.35 0.03 -0.07 4.39 0.01 -1.26 -0.54 113.70 113.91 2k8s s SER 55 Ca 0.08 -0.50 0.03 0.00 1.31 0.00 0.00 55.95 56.87 2k8s s SER 55 Cb 0.12 0.35 -0.02 0.00 0.21 0.00 0.00 66.02 66.67 2k8s s SER 55 CO 0.59 -0.69 -0.14 0.68 0.41 0.00 0.00 173.24 174.09 2k8s s VAL 56 N -3.41 3.06 0.56 3.43 -7.23 0.10 -4.00 120.40 112.91 2k8s s VAL 56 Ca 0.01 -0.71 -0.00 0.00 -1.81 0.00 0.00 61.98 59.47 2k8s s VAL 56 Cb 0.03 -2.22 0.03 0.00 0.56 0.00 0.00 36.38 34.78 2k8s s VAL 56 CO -0.09 0.58 0.80 -2.16 -0.31 0.00 0.00 175.10 173.92 2k8s s PRO 57 N -0.47 2.59 -0.04 4.82 0.04 -1.26 -2.20 135.00 138.48 2k8s s PRO 57 Ca 0.06 -0.63 -0.09 0.00 0.04 0.00 0.00 61.00 60.38 2k8s s PRO 57 Cb -0.12 -2.45 0.01 0.00 0.04 0.00 0.00 34.50 31.99 2k8s s PRO 57 CO 0.02 -0.72 0.21 0.00 0.04 0.00 0.00 177.00 176.55 2k8s s ALA 58 N -2.81 -0.51 -0.15 8.56 0.00 -0.06 -1.61 121.76 125.18 2k8s s ALA 58 Ca 0.56 0.30 0.01 0.00 0.00 0.00 0.00 51.96 52.83 2k8s s ALA 58 Cb -0.10 -0.12 0.02 0.00 0.00 0.00 0.00 23.12 22.92 2k8s s ALA 58 CO 0.39 -0.17 -0.16 -1.17 0.00 0.00 0.00 175.76 174.65 2k8s s LEU 59 N -0.67 1.80 -0.51 0.00 0.20 0.11 -0.06 118.68 119.56 2k8s s LEU 59 Ca -0.08 -0.51 -0.22 0.00 0.69 0.00 0.00 54.13 54.01 2k8s s LEU 59 Cb -0.04 -1.24 0.04 0.00 -0.43 0.00 0.00 46.19 44.52 2k8s s LEU 59 CO 0.01 -0.02 0.77 -0.69 -0.29 0.00 0.00 176.35 176.13 2k8s s VAL 60 N 1.30 4.65 -0.83 1.68 1.01 0.16 -0.71 120.40 127.67 2k8s s VAL 60 Ca 0.02 -0.03 -0.19 0.00 0.00 0.00 0.00 61.98 61.78 2k8s s VAL 60 Cb -0.13 -4.39 0.12 0.00 0.00 0.00 0.00 36.38 31.98 2k8s s VAL 60 CO -0.09 -0.90 1.01 -0.63 0.00 0.00 0.00 175.10 174.49 2k8s s ILE 61 N 3.25 4.74 -1.43 2.22 1.01 0.14 -1.72 121.20 129.40 2k8s s ILE 61 Ca 0.23 -1.35 -0.05 0.00 0.00 0.00 0.00 60.65 59.48 2k8s s ILE 61 Cb -0.15 -4.70 0.04 0.00 0.01 0.00 0.00 42.46 37.66 2k8s s ILE 61 CO 0.17 -1.41 0.69 -0.67 0.00 0.00 0.00 174.94 173.72 2k8s n ASP 62 N 6.51 -1.99 0.00 3.58 2.03 -0.68 -1.91 116.55 124.09 2k8s n ASP 62 Ca 0.14 -0.88 0.00 0.00 0.52 0.00 0.00 54.79 54.56 2k8s n ASP 62 Cb 0.47 -3.59 0.00 0.00 -0.72 0.00 0.00 41.12 37.29 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 -1.71 2.71 3.57 0.27 0.00 -1.26 -5.04 105.19 103.73 2k8s n GLY 63 Ca -0.18 -0.80 -0.43 0.00 0.00 0.00 0.00 46.02 44.61 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 -0.73 3.32 -0.46 4.61 0.00 -0.80 -5.01 121.76 122.68 2k8s s ALA 64 Ca 0.00 -0.79 -0.22 0.00 0.00 0.00 0.00 51.96 50.95 2k8s s ALA 64 Cb 0.00 -3.50 0.03 0.00 0.00 0.00 0.00 23.12 19.65 2k8s s ALA 64 CO 0.00 -1.82 0.74 0.00 0.00 0.00 0.00 175.76 174.68 2k8s s ALA 65 N 3.41 3.30 -0.21 0.00 0.00 -1.26 0.25 121.76 127.25 2k8s s ALA 65 Ca 0.33 -1.19 -0.05 0.00 0.00 0.00 0.00 51.96 51.05 2k8s s ALA 65 Cb -0.12 -3.43 -0.02 0.00 0.00 0.00 0.00 23.12 19.55 2k8s s ALA 65 CO 0.22 -1.94 0.01 -0.06 0.00 0.00 0.00 175.76 173.98 2k8s s PHE 66 N 3.13 3.04 -0.19 0.00 0.08 0.11 -4.92 117.98 119.24 2k8s s PHE 66 Ca 0.26 -0.50 -0.29 0.00 0.12 0.00 0.00 56.93 56.51 2k8s s PHE 66 Cb -0.14 -2.12 -0.01 0.00 -0.57 0.00 0.00 43.02 40.18 2k8s s PHE 66 CO 0.20 -0.29 1.32 -1.01 -0.10 0.00 0.00 175.22 175.33 2k8s s HIS 67 N 1.16 2.71 -0.51 0.36 3.76 -1.26 0.09 115.29 121.60 2k8s s HIS 67 Ca 0.03 0.89 -0.17 0.00 -0.15 0.00 0.00 55.06 55.66 2k8s s HIS 67 Cb -0.14 -3.64 0.08 0.00 1.11 0.00 0.00 32.58 29.98 2k8s s HIS 67 CO 0.01 -1.93 0.53 0.42 -0.85 0.00 0.00 174.74 172.92 2k8s s ILE 68 N 3.81 5.05 -0.14 0.60 1.01 -0.64 -4.62 121.20 126.26 2k8s s ILE 68 Ca 0.57 -0.88 -0.02 0.00 0.00 0.00 0.00 60.65 60.32 2k8s s ILE 68 Cb -0.22 -4.26 0.01 0.00 0.01 0.00 0.00 42.46 38.01 2k8s s ILE 68 CO 0.18 -0.76 0.04 -3.20 0.00 0.00 0.00 174.94 171.20 2k8s n ASN 69 N 5.71 -3.77 -4.57 3.58 5.15 -1.26 -4.26 115.26 115.84 2k8s n ASN 69 Ca -0.10 0.71 -0.49 0.00 -0.60 0.00 0.00 54.58 54.10 2k8s n ASN 69 Cb 0.44 -3.19 -0.06 0.00 -0.53 0.00 0.00 39.78 36.44 2k8s n ASN 69 CO 0.00 0.00 0.00 0.33 1.40 0.00 0.00 177.26 178.99 2k8s n PHE 70 N 0.52 1.94 0.00 1.20 7.35 -1.26 -4.14 117.46 123.07 2k8s n PHE 70 Ca -0.07 0.14 0.00 0.00 -0.76 0.00 0.00 57.45 56.76 2k8s n PHE 70 Cb 0.11 -2.60 0.00 0.00 0.35 0.00 0.00 39.48 37.34 2k8s n PHE 70 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2k8s n GLY 71 N 5.51 -0.19 3.04 7.13 0.00 -0.93 -5.00 105.19 114.75 2k8s n GLY 71 Ca 0.32 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.25 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 -3.79 0.37 0.41 4.61 0.00 -1.01 -4.97 121.76 117.38 2k8s s ALA 72 Ca 0.00 -0.90 -0.23 0.00 0.00 0.00 0.00 51.96 50.83 2k8s s ALA 72 Cb 0.00 0.19 -0.09 0.00 0.00 0.00 0.00 23.12 23.22 2k8s s ALA 72 CO 0.00 -0.23 1.05 0.20 0.00 0.00 0.00 175.76 176.78 2k8s s GLY 73 N -2.14 2.71 0.41 0.00 0.00 -1.26 0.02 107.32 107.06 2k8s s GLY 73 Ca -0.05 0.70 0.19 0.00 0.00 0.00 0.00 44.72 45.57 2k8s s GLY 73 CO -0.05 1.12 1.83 1.19 0.00 0.00 0.00 173.10 177.20 2k8s h ILE 74 N 2.10 0.89 0.00 0.90 2.10 -1.13 -2.39 117.51 119.99 2k8s h ILE 74 Ca -0.48 -1.24 0.00 0.00 1.08 0.00 0.00 64.86 64.22 2k8s h ILE 74 Cb 1.22 1.74 0.00 0.00 -1.09 0.00 0.00 36.82 38.69 2k8s h ILE 74 CO 0.62 0.31 0.00 0.47 -1.08 0.00 0.00 178.15 178.47 2k8s n ASP 75 N -3.68 0.04 0.12 2.19 8.00 -1.26 -2.32 116.55 119.64 2k8s n ASP 75 Ca -0.01 0.50 -0.02 0.00 0.71 0.00 0.00 54.79 55.98 2k8s n ASP 75 Cb 0.42 -0.52 0.08 0.00 -0.02 0.00 0.00 41.12 41.09 2k8s n ASP 75 CO 0.00 0.00 0.00 -0.78 -0.39 0.00 0.00 177.20 176.03 2k8s h ASP 76 N 0.00 0.00 0.37 -2.24 3.58 -1.81 -3.02 116.42 113.31 2k8s h ASP 76 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2k8s h ASP 76 Cb 0.46 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.51 2k8s h ASP 76 CO 0.00 0.70 -0.05 0.18 -2.88 0.00 0.00 179.24 177.20 2k8s n LEU 77 N -3.56 0.24 0.16 2.28 4.77 -0.98 -3.46 117.00 116.45 2k8s n LEU 77 Ca -0.00 0.10 0.13 0.00 -0.03 0.00 0.00 56.01 56.21 2k8s n LEU 77 Cb 0.72 -0.19 0.51 0.00 -2.33 0.00 0.00 43.42 42.13 2k8s n LEU 77 CO 0.43 0.04 0.89 0.11 -1.33 0.00 0.00 177.39 177.53 2k8s h LYS 78 N 0.30 0.00 -1.22 3.23 1.79 -1.58 -3.15 116.57 115.94 2k8s h LYS 78 Ca 0.00 0.00 -0.38 0.00 -2.18 0.00 0.00 60.65 58.09 2k8s h LYS 78 Cb 0.27 0.00 -0.18 0.00 -1.58 0.00 0.00 32.23 30.74 2k8s h LYS 78 CO 0.00 0.00 0.49 0.41 -1.08 0.00 0.00 179.45 179.27 2k8s n GLY 79 N 0.25 4.17 0.74 3.86 0.00 -1.22 -5.15 105.19 107.83 2k8s n GLY 79 Ca 0.02 -1.12 0.13 0.00 0.00 0.00 0.00 46.02 45.05 2k8s n GLY 79 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76