#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 3.77 0.26 3.52 0.00 -1.25 -4.74 121.76 123.32 2k8s s ALA 2 Ca 0.00 -0.79 -0.12 0.00 0.00 0.00 0.00 51.96 51.05 2k8s s ALA 2 Cb 0.00 -2.07 -0.00 0.00 0.00 0.00 0.00 23.12 21.05 2k8s s ALA 2 CO 0.00 0.33 0.49 -1.12 0.00 0.00 0.00 175.76 175.46 2k8s s SER 3 N -3.29 0.04 0.24 0.00 0.01 -1.17 -5.00 113.70 104.52 2k8s s SER 3 Ca 0.40 -1.01 -0.30 0.00 1.31 0.00 0.00 55.95 56.35 2k8s s SER 3 Cb -0.11 0.61 -0.09 0.00 0.21 0.00 0.00 66.02 66.64 2k8s s SER 3 CO 0.30 -1.18 1.29 -0.75 0.41 0.00 0.00 173.24 173.31 2k8s s LYS 4 N -3.82 4.41 -0.07 12.44 2.47 -1.26 -1.38 119.74 132.52 2k8s s LYS 4 Ca 0.23 2.07 -0.03 0.00 -1.56 0.00 0.00 55.97 56.68 2k8s s LYS 4 Cb -0.01 -3.17 0.04 0.00 -1.46 0.00 0.00 37.83 33.24 2k8s s LYS 4 CO 0.11 -0.19 0.13 0.00 0.16 0.00 0.00 175.35 175.55 2k8s s ALA 5 N -0.29 -0.05 -0.06 3.13 0.00 -0.99 0.04 121.76 123.54 2k8s s ALA 5 Ca 0.54 0.46 0.06 0.00 0.00 0.00 0.00 51.96 53.02 2k8s s ALA 5 Cb -0.37 -0.75 -0.01 0.00 0.00 0.00 0.00 23.12 22.00 2k8s s ALA 5 CO 0.42 -0.53 -0.25 0.42 0.00 0.00 0.00 175.76 175.83 2k8s s ILE 6 N 2.21 2.02 -0.30 0.00 1.01 0.18 -0.19 121.20 126.12 2k8s s ILE 6 Ca 0.03 -1.05 0.02 0.00 0.00 0.00 0.00 60.65 59.66 2k8s s ILE 6 Cb -0.12 -1.71 0.07 0.00 0.01 0.00 0.00 42.46 40.72 2k8s s ILE 6 CO -0.05 0.56 -0.03 0.12 0.00 0.00 0.00 174.94 175.54 2k8s s PHE 7 N -0.14 3.45 -0.20 3.97 2.19 -0.16 0.27 117.98 127.36 2k8s s PHE 7 Ca -0.04 -2.51 -0.15 0.00 0.33 0.00 0.00 56.93 54.56 2k8s s PHE 7 Cb -0.14 -2.35 -0.04 0.00 -1.31 0.00 0.00 43.02 39.18 2k8s s PHE 7 CO 0.04 -0.90 0.36 0.71 1.83 0.00 0.00 175.22 177.26 2k8s s TYR 8 N 1.05 3.38 0.28 10.12 2.02 0.34 -0.09 117.35 134.45 2k8s s TYR 8 Ca -0.01 0.57 -0.21 0.00 -0.37 0.00 0.00 57.07 57.06 2k8s s TYR 8 Cb -0.20 -2.47 0.04 0.00 -0.40 0.00 0.00 41.96 38.93 2k8s s TYR 8 CO -0.06 0.04 0.81 -3.38 -1.57 0.00 0.00 175.55 171.39 2k8s s HIS 9 N 1.15 -0.08 -0.42 2.71 -3.43 -0.94 -0.65 115.29 113.63 2k8s s HIS 9 Ca 0.17 -0.40 0.04 0.00 -0.80 0.00 0.00 55.06 54.07 2k8s s HIS 9 Cb -0.14 0.73 0.10 0.00 -1.43 0.00 0.00 32.58 31.83 2k8s s HIS 9 CO 0.07 -1.22 0.97 0.00 -2.00 0.00 0.00 174.74 172.56 2k8s n ALA 10 N -0.50 2.19 -0.57 -1.38 0.00 -1.26 -0.34 120.51 118.66 2k8s n ALA 10 Ca -0.05 -0.91 0.00 0.00 0.00 0.00 0.00 53.44 52.48 2k8s n ALA 10 Cb 0.60 -0.16 0.00 0.00 0.00 0.00 0.00 19.45 19.88 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 -0.00 0.68 3.76 0.00 0.00 -1.26 -4.43 105.19 103.94 2k8s n GLY 11 Ca 0.04 -0.32 -0.37 0.00 0.00 0.00 0.00 46.02 45.37 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 1.60 0.00 -0.16 0.00 0.13 -2.00 -1.22 132.00 130.34 2k8s h PRO 13 Ca -0.50 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.55 2k8s h PRO 13 Cb 1.27 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.40 2k8s h PRO 13 CO 0.58 0.00 -0.22 0.28 -0.23 0.00 0.00 178.00 178.41 2k8s h VAL 14 N 0.00 1.35 0.00 1.56 2.07 -2.01 -3.23 116.25 115.99 2k8s h VAL 14 Ca 0.20 -1.42 0.00 0.00 0.82 0.00 0.00 66.70 66.29 2k8s h VAL 14 Cb 0.96 1.89 0.00 0.00 -1.52 0.00 0.00 31.29 32.62 2k8s h VAL 14 CO -0.00 0.43 -0.06 0.00 0.02 0.00 0.00 177.57 177.95 2k8s h VAL 16 N 0.00 1.03 -0.32 0.00 2.07 -1.38 0.12 116.25 117.77 2k8s h VAL 16 Ca 0.00 -0.17 -0.02 0.00 0.82 0.00 0.00 66.70 67.33 2k8s h VAL 16 Cb 0.83 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 31.06 2k8s h VAL 16 CO 0.00 0.09 0.11 0.28 0.02 0.00 0.00 177.57 178.07 2k8s h SER 17 N 0.50 0.40 -0.09 0.57 0.02 -1.64 -1.35 113.55 111.96 2k8s h SER 17 Ca 0.18 -0.04 -0.20 0.00 -0.84 0.00 0.00 61.79 60.88 2k8s h SER 17 Cb 0.03 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.47 2k8s h SER 17 CO -0.09 0.38 -0.71 0.00 -1.14 0.00 0.00 176.83 175.27 2k8s h ALA 18 N 1.68 0.42 0.00 3.77 0.00 -1.41 0.56 119.26 124.28 2k8s h ALA 18 Ca 0.11 -0.58 -0.03 0.00 0.00 0.00 0.00 54.91 54.41 2k8s h ALA 18 Cb 0.12 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 2k8s h ALA 18 CO -0.01 0.70 -0.16 1.49 0.00 0.00 0.00 179.25 181.27 2k8s h GLU 19 N 0.52 0.00 0.00 0.00 4.81 -0.24 0.02 114.58 119.68 2k8s h GLU 19 Ca -0.03 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.18 2k8s h GLU 19 Cb 1.32 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.69 2k8s h GLU 19 CO 0.14 0.16 -0.22 1.96 -0.73 0.00 0.00 179.01 180.32 2k8s h GLN 20 N 0.00 0.00 0.02 1.92 4.20 -1.03 -3.36 115.11 116.86 2k8s h GLN 20 Ca -0.00 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.71 2k8s h GLN 20 Cb 0.50 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.28 2k8s h GLN 20 CO 0.02 0.27 -0.01 0.00 -0.67 0.00 0.00 178.83 178.44 2k8s h ALA 21 N -0.77 -0.07 -0.73 3.87 0.00 -0.87 -3.25 119.26 117.44 2k8s h ALA 21 Ca -0.03 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 2k8s h ALA 21 Cb 0.41 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 2k8s h ALA 21 CO -0.02 -0.07 0.19 0.28 0.00 0.00 0.00 179.25 179.63 2k8s h VAL 22 N -0.32 1.26 0.00 0.00 2.07 -1.31 -0.99 116.25 116.97 2k8s h VAL 22 Ca -0.00 -0.96 0.00 0.00 0.82 0.00 0.00 66.70 66.55 2k8s h VAL 22 Cb 0.02 0.50 0.00 0.00 -1.52 0.00 0.00 31.29 30.29 2k8s h VAL 22 CO 0.00 0.37 0.00 0.00 0.02 0.00 0.00 177.57 177.97 2k8s n ALA 23 N -2.46 2.49 0.25 1.67 0.00 -0.17 -1.53 120.51 120.78 2k8s n ALA 23 Ca 0.06 -0.15 0.03 0.00 0.00 0.00 0.00 53.44 53.38 2k8s n ALA 23 Cb 0.25 -1.38 -0.03 0.00 0.00 0.00 0.00 19.45 18.30 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 -0.93 0.34 0.08 0.00 3.02 -0.69 -4.49 115.26 112.59 2k8s n ASN 24 Ca 0.18 -0.67 -0.12 0.00 -0.03 0.00 0.00 54.58 53.94 2k8s n ASN 24 Cb 0.08 0.93 -0.13 0.00 -0.61 0.00 0.00 39.78 40.05 2k8s n ASN 24 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2k8s h ALA 25 N 0.79 0.25 -2.56 5.41 0.00 -0.13 -3.40 119.26 119.62 2k8s h ALA 25 Ca 0.00 -0.94 -0.73 0.00 0.00 0.00 0.00 54.91 53.24 2k8s h ALA 25 Cb 0.13 -0.02 -0.28 0.00 0.00 0.00 0.00 17.79 17.62 2k8s h ALA 25 CO 0.00 1.13 -0.38 0.42 0.00 0.00 0.00 179.25 180.43 2k8s s ILE 26 N -2.67 4.43 0.33 0.00 1.01 -0.72 -5.08 121.20 118.50 2k8s s ILE 26 Ca -0.02 -1.62 0.07 0.00 0.00 0.00 0.00 60.65 59.08 2k8s s ILE 26 Cb 0.08 -3.85 -0.03 0.00 0.01 0.00 0.00 42.46 38.68 2k8s s ILE 26 CO 0.85 -0.73 0.31 1.51 0.00 0.00 0.00 174.94 176.88 2k8s s ASP 27 N 2.71 5.38 0.00 3.58 -4.77 -1.26 -4.77 116.67 117.54 2k8s s ASP 27 Ca 0.05 -0.45 0.03 0.00 -3.30 0.00 0.00 52.55 48.89 2k8s s ASP 27 Cb -0.26 -1.03 0.15 0.00 -1.09 0.00 0.00 42.92 40.69 2k8s s ASP 27 CO 0.01 -0.34 1.06 -2.65 0.70 0.00 0.00 175.17 173.95 2k8s n PRO 28 N -1.39 0.01 0.21 2.11 -0.02 -1.18 -1.34 135.00 133.40 2k8s n PRO 28 Ca -0.02 0.39 0.10 0.00 -2.02 0.00 0.00 63.50 61.95 2k8s n PRO 28 Cb 0.59 -1.50 0.35 0.00 -0.02 0.00 0.00 33.50 32.92 2k8s n PRO 28 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 2k8s h SER 29 N 0.00 0.00 0.00 2.55 0.02 -2.00 -3.36 113.55 110.75 2k8s h SER 29 Ca 0.00 0.00 -0.21 0.00 -0.84 0.00 0.00 61.79 60.74 2k8s h SER 29 Cb 0.05 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.56 2k8s h SER 29 CO 0.00 0.22 -1.71 0.29 -1.14 0.00 0.00 176.83 174.48 2k8s n LYS 30 N -3.27 0.28 -4.23 3.45 5.02 -0.45 -4.77 118.16 114.20 2k8s n LYS 30 Ca 0.01 0.10 -0.17 0.00 -2.02 0.00 0.00 58.31 56.24 2k8s n LYS 30 Cb 0.49 -1.06 -0.14 0.00 -0.02 0.00 0.00 35.03 34.31 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 -2.24 0.73 -0.95 2.13 1.51 -0.72 -3.02 117.35 114.79 2k8s s TYR 31 Ca -0.18 -0.24 -0.22 0.00 -1.01 0.00 0.00 57.07 55.43 2k8s s TYR 31 Cb 0.06 -0.46 0.08 0.00 -0.11 0.00 0.00 41.96 41.54 2k8s s TYR 31 CO 0.25 -0.02 1.29 0.99 -1.11 0.00 0.00 175.55 176.94 2k8s s THR 32 N -0.53 4.24 -0.46 -0.71 2.01 -0.48 -3.13 115.64 116.59 2k8s s THR 32 Ca -0.00 -0.99 -0.29 0.00 0.31 0.00 0.00 61.69 60.73 2k8s s THR 32 Cb -0.05 -4.92 0.03 0.00 0.01 0.00 0.00 72.50 67.57 2k8s s THR 32 CO 0.00 -1.74 1.11 -0.69 -0.69 0.00 0.00 174.62 172.61 2k8s s VAL 33 N 4.08 4.27 -0.27 3.82 1.01 -1.26 -2.35 120.40 129.71 2k8s s VAL 33 Ca 0.39 1.24 -0.08 0.00 0.00 0.00 0.00 61.98 63.53 2k8s s VAL 33 Cb -0.03 -4.56 -0.02 0.00 0.00 0.00 0.00 36.38 31.76 2k8s s VAL 33 CO -0.07 -0.92 0.09 -1.61 0.00 0.00 0.00 175.10 172.58 2k8s s GLU 34 N 4.28 3.51 -0.03 2.72 2.02 0.73 -4.99 118.70 126.94 2k8s s GLU 34 Ca 0.46 -0.58 -0.29 0.00 0.02 0.00 0.00 54.97 54.58 2k8s s GLU 34 Cb -0.08 -3.37 -0.03 0.00 0.10 0.00 0.00 34.13 30.75 2k8s s GLU 34 CO 0.29 -0.27 0.96 0.42 0.02 0.00 0.00 175.26 176.69 2k8s s ILE 35 N 1.60 4.86 -0.25 -1.63 -1.09 -1.26 -0.99 121.20 122.44 2k8s s ILE 35 Ca 0.05 2.01 0.02 0.00 -2.23 0.00 0.00 60.65 60.51 2k8s s ILE 35 Cb -0.16 -4.30 0.06 0.00 -1.58 0.00 0.00 42.46 36.48 2k8s s ILE 35 CO 0.04 0.13 -0.11 -0.69 -1.23 0.00 0.00 174.94 173.07 2k8s s VAL 36 N 1.25 2.07 -0.31 2.92 1.01 0.87 -4.91 120.40 123.29 2k8s s VAL 36 Ca 0.50 -1.49 -0.22 0.00 0.00 0.00 0.00 61.98 60.77 2k8s s VAL 36 Cb -0.20 -2.16 -0.00 0.00 0.00 0.00 0.00 36.38 34.02 2k8s s VAL 36 CO 0.25 0.03 0.72 -2.28 0.00 0.00 0.00 175.10 173.82 2k8s s HIS 37 N 1.17 3.20 -2.52 5.22 2.46 -1.26 -2.22 115.29 121.33 2k8s s HIS 37 Ca -0.07 0.68 0.25 0.00 0.47 0.00 0.00 55.06 56.40 2k8s s HIS 37 Cb -0.19 -3.13 0.81 0.00 -0.13 0.00 0.00 32.58 29.94 2k8s s HIS 37 CO -0.06 -0.54 1.60 1.28 -2.47 0.00 0.00 174.74 174.55 2k8s n LEU 38 N 6.08 1.89 -0.05 8.88 4.77 0.54 -4.00 117.00 135.11 2k8s n LEU 38 Ca 0.02 -0.68 -0.06 0.00 -0.03 0.00 0.00 56.01 55.25 2k8s n LEU 38 Cb 0.48 -0.04 -0.05 0.00 -2.33 0.00 0.00 43.42 41.48 2k8s n LEU 38 CO 0.49 0.34 0.17 1.23 -1.33 0.00 0.00 177.39 178.29 2k8s h GLY 39 N 4.85 -0.02 1.11 -0.72 0.00 -1.78 -3.35 103.07 103.16 2k8s h GLY 39 Ca 0.00 0.01 -0.17 0.00 0.00 0.00 0.00 47.33 47.16 2k8s h GLY 39 CO 0.00 -0.01 -0.50 -0.84 0.00 0.00 0.00 176.54 175.19 2k8s h THR 40 N -1.00 1.28 -3.39 4.70 2.02 -1.90 -3.38 112.91 111.25 2k8s h THR 40 Ca -0.00 -1.69 -0.73 0.00 0.77 0.00 0.00 66.41 64.76 2k8s h THR 40 Cb 0.41 1.64 -0.29 0.00 -1.74 0.00 0.00 68.15 68.17 2k8s h THR 40 CO 0.00 0.55 -0.30 -0.62 0.37 0.00 0.00 175.52 175.52 2k8s s ASP 41 N -6.87 5.83 0.00 4.18 -1.08 -1.26 -4.90 116.67 112.57 2k8s s ASP 41 Ca -0.11 -2.15 0.28 0.00 -0.52 0.00 0.00 52.55 50.05 2k8s s ASP 41 Cb 0.10 -2.03 1.10 0.00 -1.46 0.00 0.00 42.92 40.62 2k8s s ASP 41 CO 0.88 -0.65 1.80 0.29 0.52 0.00 0.00 175.17 178.01 2k8s n LYS 42 N 4.60 0.35 0.20 4.34 5.02 -1.26 -2.92 118.16 128.50 2k8s n LYS 42 Ca -0.03 -0.11 0.08 0.00 -2.02 0.00 0.00 58.31 56.23 2k8s n LYS 42 Cb 0.41 -1.50 0.27 0.00 -0.02 0.00 0.00 35.03 34.20 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 3.32 0.90 0.00 7.82 0.00 -1.90 -2.86 119.26 126.54 2k8s h ALA 43 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.68 2k8s h ALA 43 Cb 0.42 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.17 2k8s h ALA 43 CO 0.00 0.32 0.00 0.54 0.00 0.00 0.00 179.25 180.11 2k8s n ARG 44 N -3.26 0.01 0.12 0.00 1.74 -1.15 -1.86 116.66 112.26 2k8s n ARG 44 Ca 0.02 0.17 0.02 0.00 -0.77 0.00 0.00 57.85 57.28 2k8s n ARG 44 Cb 0.54 -1.52 0.37 0.00 -1.02 0.00 0.00 32.46 30.84 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 1.19 -0.28 0.55 2.04 -1.69 0.78 117.51 120.11 2k8s h ILE 45 Ca 0.00 -0.88 -0.13 0.00 1.00 0.00 0.00 64.86 64.85 2k8s h ILE 45 Cb 0.35 1.28 -0.01 0.00 -0.74 0.00 0.00 36.82 37.70 2k8s h ILE 45 CO 0.00 0.27 -0.37 0.00 0.00 0.00 0.00 178.15 178.05 2k8s h ALA 46 N 1.62 0.82 0.00 1.87 0.00 -1.56 -2.47 119.26 119.54 2k8s h ALA 46 Ca 0.04 -0.43 -0.11 0.00 0.00 0.00 0.00 54.91 54.41 2k8s h ALA 46 Cb 0.43 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 2k8s h ALA 46 CO 0.03 0.65 -0.51 0.93 0.00 0.00 0.00 179.25 180.34 2k8s h GLU 47 N 0.54 0.00 0.42 0.00 5.08 -1.44 -1.52 114.58 117.65 2k8s h GLU 47 Ca 0.05 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.39 2k8s h GLU 47 Cb 0.89 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.14 2k8s h GLU 47 CO 0.08 0.51 -0.20 0.00 -1.00 0.00 0.00 179.01 178.40 2k8s h ALA 48 N 1.49 -0.57 0.00 3.43 0.00 -0.53 -1.49 119.26 121.60 2k8s h ALA 48 Ca -0.01 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.70 2k8s h ALA 48 Cb 0.92 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 2k8s h ALA 48 CO 0.07 -0.73 -0.19 0.93 0.00 0.00 0.00 179.25 179.32 2k8s h GLU 49 N -0.74 0.00 -0.66 0.00 5.08 -1.44 0.24 114.58 117.06 2k8s h GLU 49 Ca -0.06 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.28 2k8s h GLU 49 Cb 0.52 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.74 2k8s h GLU 49 CO 0.09 0.19 0.32 -0.22 -1.00 0.00 0.00 179.01 178.40 2k8s h LYS 50 N 0.00 0.93 0.00 2.33 3.64 -1.05 -2.55 116.57 119.87 2k8s h LYS 50 Ca -0.00 -0.12 -0.12 0.00 -1.27 0.00 0.00 60.65 59.13 2k8s h LYS 50 Cb 0.35 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 31.98 2k8s h LYS 50 CO 0.03 0.72 -0.90 0.00 -2.27 0.00 0.00 179.45 177.02 2k8s h ALA 51 N 1.42 0.66 0.00 5.00 0.00 -0.20 -3.48 119.26 122.66 2k8s h ALA 51 Ca 0.23 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 54.56 2k8s h ALA 51 Cb 0.09 0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2k8s h ALA 51 CO -0.03 0.70 0.00 0.41 0.00 0.00 0.00 179.25 180.33 2k8s n GLY 52 N 1.29 1.20 3.62 0.00 0.00 -0.04 -5.00 105.19 106.28 2k8s n GLY 52 Ca -0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.56 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 3.70 -0.36 1.61 1.01 0.64 -4.83 120.40 120.18 2k8s s VAL 53 Ca 0.00 0.78 0.08 0.00 0.00 0.00 0.00 61.98 62.84 2k8s s VAL 53 Cb 0.00 -3.75 -0.09 0.00 0.00 0.00 0.00 36.38 32.54 2k8s s VAL 53 CO 0.00 -0.34 0.34 0.29 0.00 0.00 0.00 175.10 175.39 2k8s n LYS 54 N 7.75 3.96 -3.91 2.72 5.02 -1.26 -3.77 118.16 128.67 2k8s n LYS 54 Ca 0.19 -0.01 -0.08 0.00 -2.02 0.00 0.00 58.31 56.39 2k8s n LYS 54 Cb 0.46 -0.91 -0.08 0.00 -0.02 0.00 0.00 35.03 34.47 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 -1.87 0.20 0.06 4.39 0.01 -1.26 0.13 113.70 115.35 2k8s s SER 55 Ca 0.03 -0.70 0.09 0.00 1.31 0.00 0.00 55.95 56.67 2k8s s SER 55 Cb 0.06 0.30 -0.03 0.00 0.21 0.00 0.00 66.02 66.56 2k8s s SER 55 CO 0.34 -0.68 -0.25 0.68 0.41 0.00 0.00 173.24 173.74 2k8s s VAL 56 N -3.73 2.00 0.59 3.43 -7.23 -0.05 -3.96 120.40 111.45 2k8s s VAL 56 Ca 0.04 -1.38 -0.13 0.00 -1.81 0.00 0.00 61.98 58.70 2k8s s VAL 56 Cb 0.05 -1.73 -0.05 0.00 0.56 0.00 0.00 36.38 35.21 2k8s s VAL 56 CO -0.10 0.27 1.02 -2.16 -0.31 0.00 0.00 175.10 173.82 2k8s s PRO 57 N -1.34 3.68 -0.12 4.82 0.04 -1.26 -2.21 135.00 138.61 2k8s s PRO 57 Ca 0.11 0.82 0.00 0.00 0.04 0.00 0.00 61.00 61.97 2k8s s PRO 57 Cb -0.10 -2.09 0.02 0.00 0.04 0.00 0.00 34.50 32.37 2k8s s PRO 57 CO 0.03 -0.50 -0.11 0.00 0.04 0.00 0.00 177.00 176.46 2k8s s ALA 58 N -3.00 1.50 -0.43 8.56 0.00 0.18 -0.85 121.76 127.71 2k8s s ALA 58 Ca 0.56 -0.65 -0.15 0.00 0.00 0.00 0.00 51.96 51.73 2k8s s ALA 58 Cb -0.11 -0.90 0.04 0.00 0.00 0.00 0.00 23.12 22.15 2k8s s ALA 58 CO 0.47 -0.31 0.33 -1.17 0.00 0.00 0.00 175.76 175.09 2k8s s LEU 59 N 1.45 5.25 -0.47 0.00 2.96 0.85 -0.50 118.68 128.22 2k8s s LEU 59 Ca 0.01 -1.02 -0.17 0.00 -0.22 0.00 0.00 54.13 52.73 2k8s s LEU 59 Cb -0.13 -2.17 0.05 0.00 0.50 0.00 0.00 46.19 44.44 2k8s s LEU 59 CO -0.07 -0.51 0.49 -0.69 -1.32 0.00 0.00 176.35 174.25 2k8s s VAL 60 N 1.68 5.06 -0.50 1.68 1.01 0.14 0.03 120.40 129.51 2k8s s VAL 60 Ca 0.05 -0.64 -0.18 0.00 0.00 0.00 0.00 61.98 61.21 2k8s s VAL 60 Cb -0.20 -4.16 0.06 0.00 0.00 0.00 0.00 36.38 32.08 2k8s s VAL 60 CO 0.09 -0.61 0.54 -0.63 0.00 0.00 0.00 175.10 174.49 2k8s s ILE 61 N 2.15 5.01 0.00 2.22 1.01 0.61 -0.65 121.20 131.55 2k8s s ILE 61 Ca 0.10 -0.71 0.00 0.00 0.00 0.00 0.00 60.65 60.04 2k8s s ILE 61 Cb -0.20 -4.24 0.00 0.00 0.01 0.00 0.00 42.46 38.03 2k8s s ILE 61 CO 0.11 -0.73 0.00 -0.67 0.00 0.00 0.00 174.94 173.65 2k8s n ASP 62 N 5.82 0.00 0.00 3.58 2.03 0.11 -1.06 116.55 127.02 2k8s n ASP 62 Ca -0.09 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.22 2k8s n ASP 62 Cb 0.45 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.85 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 0.00 -1.75 3.30 0.27 0.00 -1.26 -4.86 105.19 100.89 2k8s n GLY 63 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 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 2.96 -0.36 4.61 0.00 -0.23 -5.07 121.76 123.67 2k8s s ALA 64 Ca 0.00 -1.44 -0.18 0.00 0.00 0.00 0.00 51.96 50.33 2k8s s ALA 64 Cb 0.00 -2.00 -0.00 0.00 0.00 0.00 0.00 23.12 21.12 2k8s s ALA 64 CO 0.00 -0.87 0.52 0.00 0.00 0.00 0.00 175.76 175.41 2k8s s ALA 65 N 1.45 3.46 -0.30 0.00 0.00 -1.26 -0.28 121.76 124.83 2k8s s ALA 65 Ca 0.02 -1.04 -0.08 0.00 0.00 0.00 0.00 51.96 50.86 2k8s s ALA 65 Cb -0.17 -3.05 0.00 0.00 0.00 0.00 0.00 23.12 19.91 2k8s s ALA 65 CO 0.00 -1.28 0.11 -0.06 0.00 0.00 0.00 175.76 174.53 2k8s s PHE 66 N 2.42 3.16 -0.37 0.00 0.08 0.10 -4.90 117.98 118.48 2k8s s PHE 66 Ca 0.19 -0.81 -0.29 0.00 0.12 0.00 0.00 56.93 56.14 2k8s s PHE 66 Cb -0.15 -2.30 0.01 0.00 -0.57 0.00 0.00 43.02 40.01 2k8s s PHE 66 CO 0.14 -0.53 1.39 -1.01 -0.10 0.00 0.00 175.22 175.11 2k8s s HIS 67 N 1.55 2.47 -0.85 0.36 3.76 -1.26 -0.10 115.29 121.21 2k8s s HIS 67 Ca 0.03 0.72 -0.25 0.00 -0.15 0.00 0.00 55.06 55.42 2k8s s HIS 67 Cb -0.17 -4.18 -0.00 0.00 1.11 0.00 0.00 32.58 29.34 2k8s s HIS 67 CO 0.04 -1.94 1.68 0.42 -0.85 0.00 0.00 174.74 174.09 2k8s s ILE 68 N 5.11 3.61 0.34 0.60 1.01 -0.03 -4.70 121.20 127.13 2k8s s ILE 68 Ca 0.60 -0.25 0.00 0.00 0.00 0.00 0.00 60.65 61.00 2k8s s ILE 68 Cb -0.15 -4.45 0.00 0.00 0.01 0.00 0.00 42.46 37.87 2k8s s ILE 68 CO 0.30 -1.38 0.00 0.59 0.00 0.00 0.00 174.94 174.45 2k8s n ASN 69 N 11.50 -5.97 -4.33 3.58 3.02 -1.26 -4.21 115.26 117.58 2k8s n ASN 69 Ca 0.28 0.71 -0.47 0.00 -0.03 0.00 0.00 54.58 55.08 2k8s n ASN 69 Cb 0.49 -3.22 -0.02 0.00 -0.61 0.00 0.00 39.78 36.42 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 -2.88 3.75 -0.01 3.10 5.36 -1.26 -4.56 117.98 121.47 2k8s s PHE 70 Ca 0.00 -1.98 -0.00 0.00 -0.96 0.00 0.00 56.93 53.98 2k8s s PHE 70 Cb 0.00 -3.81 -0.00 0.00 -0.34 0.00 0.00 43.02 38.87 2k8s s PHE 70 CO 0.00 -0.99 -0.01 0.78 -1.46 0.00 0.00 175.22 173.55 2k8s h GLY 71 N 7.80 0.00 -6.47 13.12 0.00 -1.76 -3.48 103.07 112.28 2k8s h GLY 71 Ca 0.09 0.00 -0.31 0.00 0.00 0.00 0.00 47.33 47.11 2k8s h GLY 71 CO 0.76 0.00 -0.73 0.00 0.00 0.00 0.00 176.54 176.57 2k8s s ALA 72 N -2.97 0.14 0.36 3.60 0.00 -0.94 -5.00 121.76 116.96 2k8s s ALA 72 Ca -0.00 0.27 -0.25 0.00 0.00 0.00 0.00 51.96 51.97 2k8s s ALA 72 Cb 0.00 -0.26 -0.09 0.00 0.00 0.00 0.00 23.12 22.76 2k8s s ALA 72 CO 0.01 -0.10 1.03 0.20 0.00 0.00 0.00 175.76 176.90 2k8s s GLY 73 N 1.04 2.80 0.32 0.00 0.00 -1.26 -0.87 107.32 109.35 2k8s s GLY 73 Ca -0.09 0.68 0.26 0.00 0.00 0.00 0.00 44.72 45.56 2k8s s GLY 73 CO -0.03 1.13 1.77 1.19 0.00 0.00 0.00 173.10 177.17 2k8s h ILE 74 N 2.45 0.00 0.00 0.90 2.10 -0.65 -0.37 117.51 121.94 2k8s h ILE 74 Ca -0.48 -0.37 -0.06 0.00 1.08 0.00 0.00 64.86 65.04 2k8s h ILE 74 Cb 1.21 1.21 -0.01 0.00 -1.09 0.00 0.00 36.82 38.14 2k8s h ILE 74 CO 0.64 0.00 -0.29 0.44 -1.08 0.00 0.00 178.15 177.86 2k8s h ASP 75 N 0.00 0.00 0.87 2.19 3.32 -1.92 -2.75 116.42 118.12 2k8s h ASP 75 Ca 0.00 0.00 -0.23 0.00 0.02 0.00 0.00 57.03 56.82 2k8s h ASP 75 Cb 0.49 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.01 2k8s h ASP 75 CO 0.00 0.26 -1.15 -0.78 -1.72 0.00 0.00 179.24 175.85 2k8s h ASP 76 N 0.00 0.05 0.59 6.45 3.58 -1.48 -3.14 116.42 122.47 2k8s h ASP 76 Ca -0.00 -0.06 -0.04 0.00 0.42 0.00 0.00 57.03 57.35 2k8s h ASP 76 Cb 1.20 -0.02 -0.01 0.00 1.72 0.00 0.00 39.33 42.23 2k8s h ASP 76 CO 0.03 1.05 -0.18 -0.07 -2.88 0.00 0.00 179.24 177.19 2k8s h LEU 77 N 0.01 0.00 -0.77 2.28 3.38 -1.24 -2.50 115.31 116.47 2k8s h LEU 77 Ca -0.07 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.81 2k8s h LEU 77 Cb 1.83 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.56 2k8s h LEU 77 CO 0.13 0.18 -0.06 0.11 0.09 0.00 0.00 178.44 178.89 2k8s h LYS 78 N 0.00 0.87 0.00 1.13 1.57 -1.44 -3.48 116.57 115.23 2k8s h LYS 78 Ca -0.00 -0.28 0.00 0.00 -1.87 0.00 0.00 60.65 58.50 2k8s h LYS 78 Cb 0.52 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.75 2k8s h LYS 78 CO 0.02 0.91 0.00 0.41 -0.57 0.00 0.00 179.45 180.22 2k8s n GLY 79 N -0.47 1.51 0.00 3.86 0.00 -0.94 -5.13 105.19 104.02 2k8s n GLY 79 Ca 0.02 0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.07 2k8s n GLY 79 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76