#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 3.51 0.40 3.52 0.00 -1.26 -4.93 121.76 123.00 2k8s s ALA 2 Ca 0.00 -0.23 -0.09 0.00 0.00 0.00 0.00 51.96 51.64 2k8s s ALA 2 Cb 0.00 -2.91 -0.06 0.00 0.00 0.00 0.00 23.12 20.15 2k8s s ALA 2 CO 0.00 -0.43 0.74 -1.12 0.00 0.00 0.00 175.76 174.95 2k8s s SER 3 N 1.09 6.46 0.05 0.00 0.01 -1.21 -4.70 113.70 115.39 2k8s s SER 3 Ca 0.29 1.03 -0.19 0.00 1.31 0.00 0.00 55.95 58.38 2k8s s SER 3 Cb -0.16 -2.28 -0.06 0.00 0.21 0.00 0.00 66.02 63.73 2k8s s SER 3 CO 0.11 -0.40 0.55 -1.59 0.41 0.00 0.00 173.24 172.33 2k8s s LYS 4 N -3.96 4.20 -0.25 12.44 -2.85 -1.26 -0.02 119.74 128.04 2k8s s LYS 4 Ca 0.49 0.70 0.01 0.00 -1.00 0.00 0.00 55.97 56.17 2k8s s LYS 4 Cb -0.10 -3.26 0.04 0.00 -2.06 0.00 0.00 37.83 32.45 2k8s s LYS 4 CO 0.34 0.58 -0.10 0.00 0.10 0.00 0.00 175.35 176.27 2k8s s ALA 5 N -0.89 2.59 -0.25 0.59 0.00 0.16 -2.10 121.76 121.85 2k8s s ALA 5 Ca 0.29 -1.58 -0.15 0.00 0.00 0.00 0.00 51.96 50.51 2k8s s ALA 5 Cb -0.19 -1.58 -0.04 0.00 0.00 0.00 0.00 23.12 21.32 2k8s s ALA 5 CO 0.18 -0.95 0.39 0.42 0.00 0.00 0.00 175.76 175.80 2k8s s ILE 6 N 1.21 5.17 -0.47 0.00 1.01 0.45 -0.16 121.20 128.42 2k8s s ILE 6 Ca -0.03 0.63 -0.12 0.00 0.00 0.00 0.00 60.65 61.12 2k8s s ILE 6 Cb -0.18 -3.71 0.10 0.00 0.01 0.00 0.00 42.46 38.68 2k8s s ILE 6 CO -0.06 0.18 0.36 0.12 0.00 0.00 0.00 174.94 175.53 2k8s s PHE 7 N 1.90 3.33 -0.21 3.97 5.36 0.10 0.26 117.98 132.68 2k8s s PHE 7 Ca 0.16 -1.45 -0.20 0.00 -0.96 0.00 0.00 56.93 54.48 2k8s s PHE 7 Cb -0.15 -3.30 -0.03 0.00 -0.34 0.00 0.00 43.02 39.20 2k8s s PHE 7 CO 0.09 -0.91 0.60 0.71 -1.46 0.00 0.00 175.22 174.25 2k8s s TYR 8 N 1.49 3.35 0.34 10.12 2.02 0.50 0.05 117.35 135.21 2k8s s TYR 8 Ca 0.04 0.86 0.04 0.00 -0.37 0.00 0.00 57.07 57.63 2k8s s TYR 8 Cb -0.25 -2.78 -0.04 0.00 -0.40 0.00 0.00 41.96 38.49 2k8s s TYR 8 CO 0.02 -0.19 0.15 -3.38 -1.57 0.00 0.00 175.55 170.58 2k8s s HIS 9 N 1.99 1.69 -0.11 2.71 -3.43 -0.73 -0.23 115.29 117.18 2k8s s HIS 9 Ca 0.27 -1.33 0.16 0.00 -0.80 0.00 0.00 55.06 53.36 2k8s s HIS 9 Cb -0.16 -0.97 0.25 0.00 -1.43 0.00 0.00 32.58 30.27 2k8s s HIS 9 CO 0.10 -0.44 1.12 0.00 -2.00 0.00 0.00 174.74 173.53 2k8s n ALA 10 N -0.68 2.21 -1.12 -1.38 0.00 -1.26 -0.15 120.51 118.12 2k8s n ALA 10 Ca -0.01 -2.38 -0.04 0.00 0.00 0.00 0.00 53.44 51.01 2k8s n ALA 10 Cb 0.65 -0.37 -0.02 0.00 0.00 0.00 0.00 19.45 19.71 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 -1.25 0.71 3.85 0.00 0.00 -1.26 -4.88 105.19 102.36 2k8s n GLY 11 Ca 0.14 -0.87 -0.32 0.00 0.00 0.00 0.00 46.02 44.97 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 1.79 0.80 -0.55 0.00 0.11 -2.00 -0.27 132.00 131.87 2k8s h PRO 13 Ca -0.48 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 65.58 2k8s h PRO 13 Cb 1.18 -0.18 -0.03 0.00 0.11 0.00 0.00 31.00 32.08 2k8s h PRO 13 CO 0.63 0.53 0.33 0.28 -0.21 0.00 0.00 178.00 179.56 2k8s h VAL 14 N 0.83 1.16 -0.64 3.15 2.07 -1.99 -1.84 116.25 118.97 2k8s h VAL 14 Ca 0.50 -0.36 -0.09 0.00 0.82 0.00 0.00 66.70 67.57 2k8s h VAL 14 Cb 0.68 0.39 -0.02 0.00 -1.52 0.00 0.00 31.29 30.81 2k8s h VAL 14 CO -0.27 0.17 0.06 0.00 0.02 0.00 0.00 177.57 177.55 2k8s h VAL 16 N 1.01 1.27 -0.60 0.00 2.07 -1.14 -0.35 116.25 118.50 2k8s h VAL 16 Ca 0.19 -1.04 -0.05 0.00 0.82 0.00 0.00 66.70 66.62 2k8s h VAL 16 Cb 0.49 0.62 -0.03 0.00 -1.52 0.00 0.00 31.29 30.85 2k8s h VAL 16 CO 0.02 0.39 0.17 0.28 0.02 0.00 0.00 177.57 178.46 2k8s h SER 17 N 1.06 0.85 -0.06 0.57 0.02 -1.05 -0.89 113.55 114.05 2k8s h SER 17 Ca 0.21 -0.15 -0.12 0.00 -0.84 0.00 0.00 61.79 60.89 2k8s h SER 17 Cb 0.44 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.75 2k8s h SER 17 CO 0.01 0.81 -0.34 0.00 -1.14 0.00 0.00 176.83 176.17 2k8s h ALA 18 N 1.31 0.94 -0.52 3.77 0.00 -0.88 -1.81 119.26 122.06 2k8s h ALA 18 Ca 0.20 -0.40 -0.04 0.00 0.00 0.00 0.00 54.91 54.66 2k8s h ALA 18 Cb 0.27 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 2k8s h ALA 18 CO -0.01 0.62 0.16 1.49 0.00 0.00 0.00 179.25 181.51 2k8s h GLU 19 N 0.47 0.82 0.00 0.00 4.81 -0.38 0.11 114.58 120.40 2k8s h GLU 19 Ca 0.05 -0.18 -0.04 0.00 -0.13 0.00 0.00 59.36 59.06 2k8s h GLU 19 Cb 0.81 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 30.07 2k8s h GLU 19 CO 0.07 0.76 -0.19 1.96 -0.73 0.00 0.00 179.01 180.87 2k8s h GLN 20 N 0.72 0.00 0.00 1.92 4.20 -1.07 -3.23 115.11 117.65 2k8s h GLN 20 Ca 0.17 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.88 2k8s h GLN 20 Cb 0.28 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.06 2k8s h GLN 20 CO -0.00 0.19 -0.21 0.00 -0.67 0.00 0.00 178.83 178.13 2k8s n ALA 21 N -2.15 0.83 -0.14 3.87 0.00 -0.69 -4.38 120.51 117.85 2k8s n ALA 21 Ca 0.03 -0.32 -0.10 0.00 0.00 0.00 0.00 53.44 53.06 2k8s n ALA 21 Cb 0.58 0.02 -0.01 0.00 0.00 0.00 0.00 19.45 20.04 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 -0.21 1.23 0.00 0.00 2.07 -1.01 -1.76 116.25 116.57 2k8s h VAL 22 Ca 0.00 -0.78 0.00 0.00 0.82 0.00 0.00 66.70 66.74 2k8s h VAL 22 Cb 0.21 0.97 0.00 0.00 -1.52 0.00 0.00 31.29 30.95 2k8s h VAL 22 CO 0.00 0.27 0.00 0.00 0.02 0.00 0.00 177.57 177.86 2k8s n ALA 23 N -2.35 2.21 0.44 1.67 0.00 -0.93 -1.58 120.51 119.98 2k8s n ALA 23 Ca -0.00 -0.12 0.10 0.00 0.00 0.00 0.00 53.44 53.42 2k8s n ALA 23 Cb 0.20 -1.37 -0.13 0.00 0.00 0.00 0.00 19.45 18.15 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 -1.21 0.67 0.02 0.00 4.13 -0.78 -4.31 115.26 113.78 2k8s n ASN 24 Ca 0.12 -0.47 -0.12 0.00 1.68 0.00 0.00 54.58 55.79 2k8s n ASN 24 Cb 0.15 1.46 -0.14 0.00 -1.54 0.00 0.00 39.78 39.72 2k8s n ASN 24 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2k8s h ALA 25 N 2.28 0.51 -1.66 5.41 0.00 -0.46 -3.43 119.26 121.90 2k8s h ALA 25 Ca 0.00 -1.25 -0.56 0.00 0.00 0.00 0.00 54.91 53.10 2k8s h ALA 25 Cb 0.69 0.34 -0.07 0.00 0.00 0.00 0.00 17.79 18.75 2k8s h ALA 25 CO 0.00 1.36 0.95 0.42 0.00 0.00 0.00 179.25 181.98 2k8s s ILE 26 N -2.62 4.12 0.09 0.00 1.01 -0.79 -4.99 121.20 118.02 2k8s s ILE 26 Ca -0.07 1.07 -0.31 0.00 0.00 0.00 0.00 60.65 61.34 2k8s s ILE 26 Cb 0.08 -4.66 -0.07 0.00 0.01 0.00 0.00 42.46 37.81 2k8s s ILE 26 CO 0.83 -1.17 1.35 -0.62 0.00 0.00 0.00 174.94 175.32 2k8s s ASP 27 N 2.69 6.89 0.57 3.58 -1.08 -1.26 -4.88 116.67 123.17 2k8s s ASP 27 Ca 0.46 2.23 0.38 0.00 -0.52 0.00 0.00 52.55 55.10 2k8s s ASP 27 Cb -0.07 -2.58 2.05 0.00 -1.46 0.00 0.00 42.92 40.86 2k8s s ASP 27 CO 0.29 -0.62 2.16 -0.65 0.52 0.00 0.00 175.17 176.87 2k8s h PRO 28 N 6.90 0.00 0.00 4.34 0.11 -1.92 0.99 132.00 142.41 2k8s h PRO 28 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 2k8s h PRO 28 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2k8s h PRO 28 CO 0.86 0.00 0.00 0.77 -0.21 0.00 0.00 178.00 179.42 2k8s h SER 29 N 0.00 0.00 0.00 -2.05 0.02 -2.01 -3.33 113.55 106.18 2k8s h SER 29 Ca 0.00 0.00 -0.34 0.00 -0.84 0.00 0.00 61.79 60.61 2k8s h SER 29 Cb 0.02 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 62.50 2k8s h SER 29 CO 0.00 0.00 -2.21 0.29 -1.14 0.00 0.00 176.83 173.77 2k8s n LYS 30 N -2.74 0.50 -4.00 3.45 5.02 0.21 -4.59 118.16 115.99 2k8s n LYS 30 Ca 0.04 0.16 -0.13 0.00 -2.02 0.00 0.00 58.31 56.35 2k8s n LYS 30 Cb 0.42 -1.36 -0.14 0.00 -0.02 0.00 0.00 35.03 33.93 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 -2.41 0.25 -0.48 2.13 2.02 -0.41 -3.33 117.35 115.13 2k8s s TYR 31 Ca -0.29 -0.12 -0.22 0.00 -0.37 0.00 0.00 57.07 56.07 2k8s s TYR 31 Cb 0.09 -0.16 0.03 0.00 -0.40 0.00 0.00 41.96 41.53 2k8s s TYR 31 CO 0.44 -0.03 0.73 0.99 -1.57 0.00 0.00 175.55 176.11 2k8s s THR 32 N -0.28 4.72 -0.42 -0.71 2.01 0.97 -3.72 115.64 118.21 2k8s s THR 32 Ca -0.01 0.08 -0.26 0.00 0.31 0.00 0.00 61.69 61.81 2k8s s THR 32 Cb -0.02 -4.31 0.02 0.00 0.01 0.00 0.00 72.50 68.19 2k8s s THR 32 CO -0.00 -0.76 0.94 -0.69 -0.69 0.00 0.00 174.62 173.42 2k8s s VAL 33 N 3.09 4.50 -0.37 3.82 1.01 -1.26 0.36 120.40 131.55 2k8s s VAL 33 Ca 0.24 0.99 -0.06 0.00 0.00 0.00 0.00 61.98 63.15 2k8s s VAL 33 Cb -0.14 -4.40 0.07 0.00 0.00 0.00 0.00 36.38 31.90 2k8s s VAL 33 CO 0.18 -0.72 0.16 -1.61 0.00 0.00 0.00 175.10 173.12 2k8s s GLU 34 N 3.69 2.46 -0.20 2.72 2.02 0.77 -4.95 118.70 125.22 2k8s s GLU 34 Ca 0.39 -1.41 -0.20 0.00 0.02 0.00 0.00 54.97 53.76 2k8s s GLU 34 Cb -0.11 -3.55 -0.03 0.00 0.10 0.00 0.00 34.13 30.55 2k8s s GLU 34 CO 0.23 -0.83 0.60 0.42 0.02 0.00 0.00 175.26 175.70 2k8s s ILE 35 N 1.33 5.05 -0.08 -1.63 1.01 -1.26 0.03 121.20 125.64 2k8s s ILE 35 Ca 0.01 1.12 0.02 0.00 0.00 0.00 0.00 60.65 61.80 2k8s s ILE 35 Cb -0.21 -3.92 0.01 0.00 0.01 0.00 0.00 42.46 38.36 2k8s s ILE 35 CO 0.01 0.13 -0.13 -0.69 0.00 0.00 0.00 174.94 174.26 2k8s s VAL 36 N 1.80 1.25 -0.53 2.92 1.01 0.11 -4.91 120.40 122.04 2k8s s VAL 36 Ca 0.27 -0.52 -0.28 0.00 0.00 0.00 0.00 61.98 61.45 2k8s s VAL 36 Cb -0.16 -1.15 0.02 0.00 0.00 0.00 0.00 36.38 35.09 2k8s s VAL 36 CO 0.10 0.39 1.36 -2.28 0.00 0.00 0.00 175.10 174.67 2k8s s HIS 37 N 0.85 2.39 -0.85 5.22 2.46 -1.26 -1.78 115.29 122.33 2k8s s HIS 37 Ca -0.11 0.51 0.25 0.00 0.47 0.00 0.00 55.06 56.18 2k8s s HIS 37 Cb -0.15 -4.41 0.96 0.00 -0.13 0.00 0.00 32.58 28.85 2k8s s HIS 37 CO 0.01 -1.86 1.77 -0.11 -2.47 0.00 0.00 174.74 172.08 2k8s n LEU 38 N 9.14 0.33 -0.07 8.88 7.94 0.79 -2.51 117.00 141.50 2k8s n LEU 38 Ca 0.12 0.55 0.13 0.00 -1.11 0.00 0.00 56.01 55.70 2k8s n LEU 38 Cb 0.49 -0.46 0.41 0.00 0.53 0.00 0.00 43.42 44.39 2k8s n LEU 38 CO 0.71 -0.18 0.66 0.61 -1.11 0.00 0.00 177.39 178.08 2k8s n GLY 39 N 0.94 -1.12 0.14 -3.96 0.00 -1.24 -3.89 105.19 96.06 2k8s n GLY 39 Ca 0.05 -0.30 -0.23 0.00 0.00 0.00 0.00 46.02 45.55 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 0.32 0.95 -3.24 2.61 2.02 -1.84 -3.45 112.91 110.28 2k8s h THR 40 Ca 0.00 -2.48 -0.66 0.00 0.77 0.00 0.00 66.41 64.04 2k8s h THR 40 Cb 0.47 2.75 -0.31 0.00 -1.74 0.00 0.00 68.15 69.32 2k8s h THR 40 CO 0.00 0.83 -0.79 -0.62 0.37 0.00 0.00 175.52 175.30 2k8s s ASP 41 N -7.23 3.71 0.23 4.18 2.15 -1.25 -4.99 116.67 113.46 2k8s s ASP 41 Ca -0.17 -0.50 0.15 0.00 0.43 0.00 0.00 52.55 52.45 2k8s s ASP 41 Cb 0.05 -1.60 0.01 0.00 -0.30 0.00 0.00 42.92 41.08 2k8s s ASP 41 CO 0.83 0.02 1.31 0.11 -0.17 0.00 0.00 175.17 177.27 2k8s h LYS 42 N 7.82 0.00 -0.13 4.34 1.57 -1.88 -3.22 116.57 125.06 2k8s h LYS 42 Ca -0.41 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.23 2k8s h LYS 42 Cb 1.16 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.46 2k8s h LYS 42 CO 0.61 0.49 -0.56 0.00 -0.57 0.00 0.00 179.45 179.41 2k8s h ALA 43 N 1.46 0.80 0.00 3.86 0.00 -1.94 -2.72 119.26 120.72 2k8s h ALA 43 Ca -0.04 -0.52 -0.03 0.00 0.00 0.00 0.00 54.91 54.32 2k8s h ALA 43 Cb 1.45 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 19.15 2k8s h ALA 43 CO 0.06 0.70 -0.15 -0.09 0.00 0.00 0.00 179.25 179.77 2k8s h ARG 44 N 0.29 0.00 -0.60 0.00 2.43 -1.93 -2.08 114.38 112.50 2k8s h ARG 44 Ca 0.00 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.15 2k8s h ARG 44 Cb 1.07 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.60 2k8s h ARG 44 CO 0.10 0.15 0.30 0.82 -1.51 0.00 0.00 179.97 179.83 2k8s h ILE 45 N 0.00 1.21 0.00 1.20 2.04 -1.52 0.26 117.51 120.70 2k8s h ILE 45 Ca -0.00 -0.56 -0.08 0.00 1.00 0.00 0.00 64.86 65.22 2k8s h ILE 45 Cb 0.49 0.48 -0.01 0.00 -0.74 0.00 0.00 36.82 37.04 2k8s h ILE 45 CO 0.02 0.23 -0.37 0.00 0.00 0.00 0.00 178.15 178.04 2k8s h ALA 46 N 1.13 1.11 -0.28 1.87 0.00 -1.43 -2.14 119.26 119.52 2k8s h ALA 46 Ca 0.21 -0.33 -0.14 0.00 0.00 0.00 0.00 54.91 54.65 2k8s h ALA 46 Cb 0.09 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 2k8s h ALA 46 CO -0.03 0.46 -0.36 0.93 0.00 0.00 0.00 179.25 180.25 2k8s h GLU 47 N 0.00 0.74 -0.51 0.00 5.08 -0.86 -3.11 114.58 115.92 2k8s h GLU 47 Ca -0.00 -0.42 -0.00 0.00 -1.00 0.00 0.00 59.36 57.93 2k8s h GLU 47 Cb 0.79 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 30.05 2k8s h GLU 47 CO 0.05 1.04 0.30 0.00 -1.00 0.00 0.00 179.01 179.39 2k8s h ALA 48 N 0.69 1.57 0.00 3.43 0.00 -0.08 -0.20 119.26 124.66 2k8s h ALA 48 Ca 0.03 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 2k8s h ALA 48 Cb 0.94 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 2k8s h ALA 48 CO 0.08 0.37 -0.17 0.93 0.00 0.00 0.00 179.25 180.46 2k8s h GLU 49 N 0.70 0.00 0.00 0.00 5.08 -1.36 0.11 114.58 119.11 2k8s h GLU 49 Ca 0.18 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.39 2k8s h GLU 49 Cb -0.01 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.21 2k8s h GLU 49 CO -0.03 0.17 -0.84 0.87 -1.00 0.00 0.00 179.01 178.18 2k8s h LYS 50 N 0.00 0.00 0.11 2.33 1.57 -0.99 -3.34 116.57 116.25 2k8s h LYS 50 Ca -0.00 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.62 2k8s h LYS 50 Cb 0.48 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.80 2k8s h LYS 50 CO 0.02 0.59 -0.74 0.00 -0.57 0.00 0.00 179.45 178.76 2k8s h ALA 51 N 1.33 -0.03 0.00 3.86 0.00 -0.78 -3.48 119.26 120.16 2k8s h ALA 51 Ca -0.05 -0.72 0.00 0.00 0.00 0.00 0.00 54.91 54.15 2k8s h ALA 51 Cb 1.55 0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.48 2k8s h ALA 51 CO 0.08 0.36 0.00 0.41 0.00 0.00 0.00 179.25 180.10 2k8s n GLY 52 N 1.66 0.54 3.68 0.00 0.00 0.14 -4.87 105.19 106.34 2k8s n GLY 52 Ca -0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.54 4.97 0.00 1.61 1.01 0.12 -4.72 120.40 122.85 2k8s s VAL 53 Ca 0.00 1.45 0.00 0.00 0.00 0.00 0.00 61.98 63.43 2k8s s VAL 53 Cb 0.00 -4.05 0.00 0.00 0.00 0.00 0.00 36.38 32.33 2k8s s VAL 53 CO 0.00 0.11 0.00 0.29 0.00 0.00 0.00 175.10 175.50 2k8s n LYS 54 N 4.81 5.53 -3.99 2.72 5.02 -1.26 -4.35 118.16 126.64 2k8s n LYS 54 Ca 0.01 0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.20 2k8s n LYS 54 Cb 0.50 -0.42 -0.04 0.00 -0.02 0.00 0.00 35.03 35.05 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 -0.84 0.12 0.02 4.39 0.01 -1.26 -0.78 113.70 115.36 2k8s s SER 55 Ca 0.00 -1.05 0.04 0.00 1.31 0.00 0.00 55.95 56.25 2k8s s SER 55 Cb 0.00 0.64 -0.02 0.00 0.21 0.00 0.00 66.02 66.85 2k8s s SER 55 CO 0.00 -1.25 -0.11 0.68 0.41 0.00 0.00 173.24 172.97 2k8s s VAL 56 N -3.62 0.88 0.53 3.43 -7.23 0.11 -4.06 120.40 110.44 2k8s s VAL 56 Ca 0.23 -0.77 -0.11 0.00 -1.81 0.00 0.00 61.98 59.51 2k8s s VAL 56 Cb -0.01 -0.80 -0.05 0.00 0.56 0.00 0.00 36.38 36.08 2k8s s VAL 56 CO 0.12 0.03 0.93 -2.16 -0.31 0.00 0.00 175.10 173.70 2k8s s PRO 57 N -0.84 3.71 -0.08 4.82 0.04 -1.26 -2.41 135.00 138.99 2k8s s PRO 57 Ca 0.01 0.66 0.01 0.00 0.04 0.00 0.00 61.00 61.72 2k8s s PRO 57 Cb -0.06 -2.20 0.02 0.00 0.04 0.00 0.00 34.50 32.29 2k8s s PRO 57 CO 0.00 -0.33 -0.10 0.00 0.04 0.00 0.00 177.00 176.61 2k8s s ALA 58 N -2.82 1.19 -0.54 8.56 0.00 0.68 -1.34 121.76 127.50 2k8s s ALA 58 Ca 0.54 -0.40 -0.16 0.00 0.00 0.00 0.00 51.96 51.94 2k8s s ALA 58 Cb -0.10 -0.64 0.12 0.00 0.00 0.00 0.00 23.12 22.49 2k8s s ALA 58 CO 0.42 -0.05 0.52 -1.17 0.00 0.00 0.00 175.76 175.48 2k8s s LEU 59 N 1.00 5.96 -0.73 0.00 2.96 0.14 -0.37 118.68 127.65 2k8s s LEU 59 Ca -0.09 -1.66 -0.20 0.00 -0.22 0.00 0.00 54.13 51.96 2k8s s LEU 59 Cb -0.15 -2.23 0.10 0.00 0.50 0.00 0.00 46.19 44.42 2k8s s LEU 59 CO -0.00 -0.88 0.95 -0.69 -1.32 0.00 0.00 176.35 174.41 2k8s s VAL 60 N 1.81 4.59 -0.69 1.68 1.01 0.14 -0.01 120.40 128.93 2k8s s VAL 60 Ca 0.05 -0.93 -0.21 0.00 0.00 0.00 0.00 61.98 60.89 2k8s s VAL 60 Cb -0.28 -4.66 0.09 0.00 0.00 0.00 0.00 36.38 31.53 2k8s s VAL 60 CO 0.04 -1.39 0.91 -0.63 0.00 0.00 0.00 175.10 174.04 2k8s s ILE 61 N 3.23 4.55 0.00 2.22 1.01 0.82 -0.41 121.20 132.63 2k8s s ILE 61 Ca 0.23 -0.78 0.00 0.00 0.00 0.00 0.00 60.65 60.10 2k8s s ILE 61 Cb -0.15 -4.64 0.00 0.00 0.01 0.00 0.00 42.46 37.68 2k8s s ILE 61 CO 0.03 -1.37 0.00 -0.67 0.00 0.00 0.00 174.94 172.93 2k8s n ASP 62 N 7.06 -2.22 0.00 3.58 2.03 -0.89 -1.83 116.55 124.28 2k8s n ASP 62 Ca -0.01 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.30 2k8s n ASP 62 Cb 0.45 -2.16 0.00 0.00 -0.72 0.00 0.00 41.12 38.69 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 -1.20 1.61 3.60 0.27 0.00 -1.26 -5.04 105.19 103.17 2k8s n GLY 63 Ca 0.00 -0.05 -0.42 0.00 0.00 0.00 0.00 46.02 45.55 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 0.00 3.42 -0.40 4.61 0.00 -0.76 -4.83 121.76 123.79 2k8s s ALA 64 Ca 0.00 -0.51 -0.22 0.00 0.00 0.00 0.00 51.96 51.23 2k8s s ALA 64 Cb 0.00 -3.48 0.01 0.00 0.00 0.00 0.00 23.12 19.65 2k8s s ALA 64 CO 0.00 -1.57 0.71 0.00 0.00 0.00 0.00 175.76 174.91 2k8s s ALA 65 N 3.36 3.38 -0.35 0.00 0.00 -1.26 -0.12 121.76 126.77 2k8s s ALA 65 Ca 0.36 -0.91 -0.09 0.00 0.00 0.00 0.00 51.96 51.32 2k8s s ALA 65 Cb -0.12 -3.32 0.03 0.00 0.00 0.00 0.00 23.12 19.70 2k8s s ALA 65 CO 0.18 -1.62 0.15 -0.06 0.00 0.00 0.00 175.76 174.41 2k8s s PHE 66 N 2.98 3.23 -0.49 0.00 0.08 0.99 -4.88 117.98 119.90 2k8s s PHE 66 Ca 0.27 -1.11 -0.29 0.00 0.12 0.00 0.00 56.93 55.93 2k8s s PHE 66 Cb -0.13 -2.35 0.02 0.00 -0.57 0.00 0.00 43.02 39.98 2k8s s PHE 66 CO 0.18 -0.66 1.31 -1.01 -0.10 0.00 0.00 175.22 174.94 2k8s s HIS 67 N 1.49 2.51 -0.63 0.36 3.76 -1.26 0.27 115.29 121.80 2k8s s HIS 67 Ca 0.01 0.61 -0.24 0.00 -0.15 0.00 0.00 55.06 55.28 2k8s s HIS 67 Cb -0.19 -4.40 0.05 0.00 1.11 0.00 0.00 32.58 29.15 2k8s s HIS 67 CO 0.05 -1.73 1.03 0.42 -0.85 0.00 0.00 174.74 173.65 2k8s s ILE 68 N 5.26 4.21 -0.10 0.60 1.01 -0.45 -4.54 121.20 127.18 2k8s s ILE 68 Ca 0.53 0.10 -0.07 0.00 0.00 0.00 0.00 60.65 61.21 2k8s s ILE 68 Cb -0.10 -4.68 0.03 0.00 0.01 0.00 0.00 42.46 37.71 2k8s s ILE 68 CO 0.30 -1.40 0.14 0.59 0.00 0.00 0.00 174.94 174.57 2k8s n ASN 69 N 7.99 -2.56 -4.57 3.58 3.02 -1.26 -4.24 115.26 117.22 2k8s n ASN 69 Ca 0.00 1.15 -0.39 0.00 -0.03 0.00 0.00 54.58 55.31 2k8s n ASN 69 Cb 0.47 -4.28 -0.03 0.00 -0.61 0.00 0.00 39.78 35.33 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 -0.50 1.19 -0.16 3.10 5.36 -1.26 -4.20 117.98 121.51 2k8s s PHE 70 Ca -0.17 1.11 -0.14 0.00 -0.96 0.00 0.00 56.93 56.77 2k8s s PHE 70 Cb 0.01 -3.77 -0.05 0.00 -0.34 0.00 0.00 43.02 38.88 2k8s s PHE 70 CO 0.45 -3.07 -0.28 0.41 -1.46 0.00 0.00 175.22 171.27 2k8s n GLY 71 N 5.87 -0.67 3.13 13.12 0.00 -1.01 -5.04 105.19 120.59 2k8s n GLY 71 Ca 0.32 -0.26 -0.09 0.00 0.00 0.00 0.00 46.02 45.99 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 -2.86 0.74 0.52 4.61 0.00 -1.06 -5.02 121.76 118.68 2k8s s ALA 72 Ca -0.23 -1.36 -0.01 0.00 0.00 0.00 0.00 51.96 50.37 2k8s s ALA 72 Cb 0.03 0.56 0.01 0.00 0.00 0.00 0.00 23.12 23.73 2k8s s ALA 72 CO 0.34 -0.42 0.75 0.20 0.00 0.00 0.00 175.76 176.64 2k8s s GLY 73 N -3.00 1.67 0.37 0.00 0.00 -1.26 0.07 107.32 105.17 2k8s s GLY 73 Ca 0.16 -1.10 0.27 0.00 0.00 0.00 0.00 44.72 44.06 2k8s s GLY 73 CO -0.04 -0.86 1.81 1.19 0.00 0.00 0.00 173.10 175.20 2k8s h ILE 74 N 0.16 0.00 0.00 0.90 2.10 -1.23 -1.86 117.51 117.58 2k8s h ILE 74 Ca -0.45 -0.44 -0.09 0.00 1.08 0.00 0.00 64.86 64.96 2k8s h ILE 74 Cb 1.27 1.33 -0.01 0.00 -1.09 0.00 0.00 36.82 38.32 2k8s h ILE 74 CO 0.56 0.00 -0.48 -2.24 -1.08 0.00 0.00 178.15 174.91 2k8s h ASP 75 N 0.00 0.00 0.60 2.19 2.03 -1.94 -2.95 116.42 116.35 2k8s h ASP 75 Ca 0.00 0.00 -0.07 0.00 -0.73 0.00 0.00 57.03 56.23 2k8s h ASP 75 Cb 0.53 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.02 2k8s h ASP 75 CO 0.00 0.44 -0.35 0.44 -1.03 0.00 0.00 179.24 178.73 2k8s h ASP 76 N 0.00 0.00 1.09 4.15 3.32 -1.71 -2.28 116.42 120.99 2k8s h ASP 76 Ca -0.01 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.98 2k8s h ASP 76 Cb 1.34 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.88 2k8s h ASP 76 CO 0.06 0.35 -0.28 -0.07 -1.72 0.00 0.00 179.24 177.58 2k8s h LEU 77 N 0.00 0.00 -0.42 1.55 3.38 -1.43 -2.47 115.31 115.93 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 0.75 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.49 2k8s h LEU 77 CO 0.05 0.28 -0.12 0.11 0.09 0.00 0.00 178.44 178.85 2k8s h LYS 78 N 0.00 0.00 -6.50 1.13 1.57 -1.36 -3.44 116.57 107.97 2k8s h LYS 78 Ca -0.00 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.25 2k8s h LYS 78 Cb 0.90 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.21 2k8s h LYS 78 CO 0.04 0.12 0.47 0.20 -0.57 0.00 0.00 179.45 179.70 2k8s s GLY 79 N -4.26 2.70 0.00 3.86 0.00 -0.93 -5.12 107.32 103.57 2k8s s GLY 79 Ca 0.05 0.72 0.15 0.00 0.00 0.00 0.00 44.72 45.64 2k8s s GLY 79 CO 0.65 1.81 1.33 1.44 0.00 0.00 0.00 173.10 178.33