#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 -1.86 0.42 2.33 0.00 -1.26 -4.76 121.76 116.62 2k8s s ALA 2 Ca 0.00 1.36 0.08 0.00 0.00 0.00 0.00 51.96 53.40 2k8s s ALA 2 Cb 0.00 -0.25 -0.01 0.00 0.00 0.00 0.00 23.12 22.86 2k8s s ALA 2 CO 0.00 -0.43 0.46 -1.54 0.00 0.00 0.00 175.76 174.26 2k8s s SER 3 N -1.50 5.32 -0.02 0.00 1.04 -1.26 -4.74 113.70 112.53 2k8s s SER 3 Ca -0.02 -0.60 -0.22 0.00 0.48 0.00 0.00 55.95 55.59 2k8s s SER 3 Cb -0.01 -0.62 -0.05 0.00 0.10 0.00 0.00 66.02 65.45 2k8s s SER 3 CO 0.00 -0.70 0.65 -0.75 0.98 0.00 0.00 173.24 173.43 2k8s s LYS 4 N -4.23 4.39 -0.20 4.02 2.20 -1.26 0.01 119.74 124.67 2k8s s LYS 4 Ca 0.51 0.82 0.01 0.00 -0.36 0.00 0.00 55.97 56.95 2k8s s LYS 4 Cb -0.06 -3.38 0.04 0.00 -1.51 0.00 0.00 37.83 32.91 2k8s s LYS 4 CO 0.30 0.25 -0.13 0.00 -0.36 0.00 0.00 175.35 175.40 2k8s s ALA 5 N 0.19 2.17 -0.33 3.13 0.00 0.12 -1.96 121.76 125.08 2k8s s ALA 5 Ca 0.34 -1.27 -0.10 0.00 0.00 0.00 0.00 51.96 50.94 2k8s s ALA 5 Cb -0.18 -1.28 0.01 0.00 0.00 0.00 0.00 23.12 21.67 2k8s s ALA 5 CO 0.18 -0.70 0.16 0.42 0.00 0.00 0.00 175.76 175.82 2k8s s ILE 6 N 1.33 4.53 -0.41 0.00 1.01 0.76 0.22 121.20 128.64 2k8s s ILE 6 Ca -0.00 -0.59 -0.16 0.00 0.00 0.00 0.00 60.65 59.90 2k8s s ILE 6 Cb -0.16 -3.38 0.02 0.00 0.01 0.00 0.00 42.46 38.95 2k8s s ILE 6 CO -0.09 -0.03 0.38 0.12 0.00 0.00 0.00 174.94 175.32 2k8s s PHE 7 N 1.58 3.20 -0.22 3.97 5.36 0.33 0.42 117.98 132.61 2k8s s PHE 7 Ca 0.04 -0.41 -0.10 0.00 -0.96 0.00 0.00 56.93 55.49 2k8s s PHE 7 Cb -0.18 -2.77 -0.05 0.00 -0.34 0.00 0.00 43.02 39.68 2k8s s PHE 7 CO 0.06 -0.64 0.14 0.71 -1.46 0.00 0.00 175.22 174.03 2k8s s TYR 8 N 1.98 3.36 0.33 10.12 2.02 0.12 -0.00 117.35 135.27 2k8s s TYR 8 Ca 0.10 0.27 -0.09 0.00 -0.37 0.00 0.00 57.07 56.98 2k8s s TYR 8 Cb -0.18 -2.21 0.01 0.00 -0.40 0.00 0.00 41.96 39.19 2k8s s TYR 8 CO 0.12 0.18 0.56 -3.38 -1.57 0.00 0.00 175.55 171.46 2k8s s HIS 9 N 0.70 0.62 -0.09 2.71 -3.43 -0.98 -0.81 115.29 114.02 2k8s s HIS 9 Ca 0.08 -1.00 0.13 0.00 -0.80 0.00 0.00 55.06 53.46 2k8s s HIS 9 Cb -0.12 0.23 0.22 0.00 -1.43 0.00 0.00 32.58 31.49 2k8s s HIS 9 CO 0.01 -1.21 1.11 0.00 -2.00 0.00 0.00 174.74 172.65 2k8s n ALA 10 N -0.51 2.33 -2.03 -1.38 0.00 -1.26 -0.29 120.51 117.37 2k8s n ALA 10 Ca -0.02 -2.20 -0.02 0.00 0.00 0.00 0.00 53.44 51.20 2k8s n ALA 10 Cb 0.61 -0.43 0.00 0.00 0.00 0.00 0.00 19.45 19.63 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 -0.88 -0.85 3.14 0.00 0.00 -1.26 -4.68 105.19 100.66 2k8s n GLY 11 Ca 0.11 0.31 -0.09 0.00 0.00 0.00 0.00 46.02 46.34 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 3.06 0.49 -0.66 0.00 0.13 -2.00 0.45 132.00 133.47 2k8s h PRO 13 Ca -0.35 -0.03 -0.04 0.00 -0.87 0.00 0.00 66.00 64.71 2k8s h PRO 13 Cb 1.16 -0.11 -0.03 0.00 0.13 0.00 0.00 31.00 32.15 2k8s h PRO 13 CO 0.65 0.33 0.25 0.28 -0.23 0.00 0.00 178.00 179.28 2k8s h VAL 14 N 0.51 1.24 -0.89 1.56 2.07 -1.98 -2.44 116.25 116.32 2k8s h VAL 14 Ca 0.50 -0.79 -0.02 0.00 0.82 0.00 0.00 66.70 67.21 2k8s h VAL 14 Cb 0.82 0.51 -0.04 0.00 -1.52 0.00 0.00 31.29 31.06 2k8s h VAL 14 CO -0.44 0.31 0.49 0.00 0.02 0.00 0.00 177.57 177.95 2k8s h VAL 16 N 1.25 1.08 -0.79 0.00 2.07 -0.93 0.19 116.25 119.13 2k8s h VAL 16 Ca 0.31 -0.15 -0.02 0.00 0.82 0.00 0.00 66.70 67.67 2k8s h VAL 16 Cb 0.03 0.71 -0.04 0.00 -1.52 0.00 0.00 31.29 30.47 2k8s h VAL 16 CO -0.05 0.07 0.43 0.28 0.02 0.00 0.00 177.57 178.32 2k8s h SER 17 N 0.35 0.98 -0.30 0.57 0.02 -0.96 0.20 113.55 114.40 2k8s h SER 17 Ca 0.10 -0.10 -0.13 0.00 -0.84 0.00 0.00 61.79 60.81 2k8s h SER 17 Cb -0.03 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.25 2k8s h SER 17 CO -0.02 0.80 -0.29 0.00 -1.14 0.00 0.00 176.83 176.17 2k8s h ALA 18 N 1.22 0.76 -0.13 3.77 0.00 -0.81 -1.98 119.26 122.10 2k8s h ALA 18 Ca 0.28 -0.41 -0.15 0.00 0.00 0.00 0.00 54.91 54.63 2k8s h ALA 18 Cb 0.03 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 17.69 2k8s h ALA 18 CO -0.04 0.65 -0.49 1.49 0.00 0.00 0.00 179.25 180.86 2k8s h GLU 19 N 0.69 0.56 -0.07 0.00 4.81 -0.21 0.14 114.58 120.51 2k8s h GLU 19 Ca 0.08 -0.43 -0.16 0.00 -0.13 0.00 0.00 59.36 58.72 2k8s h GLU 19 Cb 0.84 0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.29 2k8s h GLU 19 CO 0.07 1.05 -0.66 1.96 -0.73 0.00 0.00 179.01 180.70 2k8s h GLN 20 N 0.19 0.30 0.00 1.92 4.20 -1.00 -3.20 115.11 117.51 2k8s h GLN 20 Ca -0.02 -0.23 0.00 0.00 0.06 0.00 0.00 58.65 58.46 2k8s h GLN 20 Cb 1.12 0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.94 2k8s h GLN 20 CO 0.10 0.86 -0.32 0.00 -0.67 0.00 0.00 178.83 178.80 2k8s n ALA 21 N -2.48 0.28 -0.10 3.87 0.00 -0.74 -4.21 120.51 117.13 2k8s n ALA 21 Ca -0.03 -0.41 -0.13 0.00 0.00 0.00 0.00 53.44 52.87 2k8s n ALA 21 Cb 0.66 0.01 -0.04 0.00 0.00 0.00 0.00 19.45 20.08 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 -0.34 1.30 0.00 0.00 2.07 -1.10 0.22 116.25 118.40 2k8s h VAL 22 Ca 0.00 -1.39 0.00 0.00 0.82 0.00 0.00 66.70 66.13 2k8s h VAL 22 Cb 0.32 1.51 0.00 0.00 -1.52 0.00 0.00 31.29 31.60 2k8s h VAL 22 CO 0.00 0.45 0.00 0.00 0.02 0.00 0.00 177.57 178.04 2k8s n ALA 23 N -2.48 1.96 -0.03 1.67 0.00 0.29 -1.25 120.51 120.67 2k8s n ALA 23 Ca -0.03 -0.08 0.03 0.00 0.00 0.00 0.00 53.44 53.36 2k8s n ALA 23 Cb 0.44 -1.31 -0.16 0.00 0.00 0.00 0.00 19.45 18.42 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 -1.38 0.08 0.02 0.00 5.03 -0.92 -4.08 115.26 114.01 2k8s n ASN 24 Ca 0.07 0.04 -0.05 0.00 0.87 0.00 0.00 54.58 55.51 2k8s n ASN 24 Cb 0.19 1.50 0.17 0.00 -1.02 0.00 0.00 39.78 40.61 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 1.63 1.01 -1.02 5.41 0.00 0.18 -3.34 119.26 123.13 2k8s h ALA 25 Ca -0.19 -0.39 -0.49 0.00 0.00 0.00 0.00 54.91 53.84 2k8s h ALA 25 Cb 1.45 -0.11 -0.08 0.00 0.00 0.00 0.00 17.79 19.05 2k8s h ALA 25 CO 0.01 0.60 1.20 0.42 0.00 0.00 0.00 179.25 181.48 2k8s s ILE 26 N -4.34 3.72 0.10 0.00 -1.09 -0.38 -4.97 121.20 114.25 2k8s s ILE 26 Ca -0.07 -0.49 -0.31 0.00 -2.23 0.00 0.00 60.65 57.56 2k8s s ILE 26 Cb 0.13 -4.64 -0.09 0.00 -1.58 0.00 0.00 42.46 36.28 2k8s s ILE 26 CO 0.80 -1.55 1.59 -0.62 -1.23 0.00 0.00 174.94 173.93 2k8s s ASP 27 N 6.05 6.62 0.50 3.58 -1.08 -1.26 -4.86 116.67 126.23 2k8s s ASP 27 Ca 0.54 2.50 0.34 0.00 -0.52 0.00 0.00 52.55 55.41 2k8s s ASP 27 Cb -0.03 -2.58 1.72 0.00 -1.46 0.00 0.00 42.92 40.57 2k8s s ASP 27 CO -0.03 -0.84 2.02 1.55 0.52 0.00 0.00 175.17 178.39 2k8s h PRO 28 N 7.64 0.00 0.00 4.34 0.13 -1.89 0.29 132.00 142.51 2k8s h PRO 28 Ca -0.42 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 2k8s h PRO 28 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2k8s h PRO 28 CO 0.92 0.00 -0.51 0.43 -0.23 0.00 0.00 178.00 178.61 2k8s n SER 29 N -2.73 0.73 -0.10 1.44 7.64 -1.26 -4.07 113.62 115.27 2k8s n SER 29 Ca -0.01 0.21 -0.13 0.00 1.01 0.00 0.00 58.87 59.94 2k8s n SER 29 Cb 0.11 -0.02 -0.11 0.00 -1.01 0.00 0.00 64.21 63.19 2k8s n SER 29 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 2k8s n LYS 30 N -2.15 0.73 -3.95 1.43 4.81 0.25 -4.72 118.16 114.56 2k8s n LYS 30 Ca 0.04 0.09 -0.10 0.00 -0.87 0.00 0.00 58.31 57.47 2k8s n LYS 30 Cb 0.44 -1.43 -0.12 0.00 0.02 0.00 0.00 35.03 33.94 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 -2.42 0.20 -0.82 5.64 2.02 0.77 -4.41 117.35 118.31 2k8s s TYR 31 Ca -0.23 -0.38 -0.24 0.00 -0.37 0.00 0.00 57.07 55.85 2k8s s TYR 31 Cb 0.07 -0.14 0.06 0.00 -0.40 0.00 0.00 41.96 41.54 2k8s s TYR 31 CO 0.55 -0.13 1.23 0.99 -1.57 0.00 0.00 175.55 176.61 2k8s s THR 32 N -1.05 4.07 -0.25 -0.71 2.01 0.10 -3.83 115.64 115.97 2k8s s THR 32 Ca -0.11 -0.39 -0.25 0.00 0.31 0.00 0.00 61.69 61.24 2k8s s THR 32 Cb -0.07 -4.88 -0.00 0.00 0.01 0.00 0.00 72.50 67.56 2k8s s THR 32 CO -0.01 -1.73 0.88 -0.69 -0.69 0.00 0.00 174.62 172.38 2k8s s VAL 33 N 4.67 4.78 -0.23 3.82 1.01 -1.26 0.13 120.40 133.33 2k8s s VAL 33 Ca 0.35 1.61 0.02 0.00 0.00 0.00 0.00 61.98 63.95 2k8s s VAL 33 Cb -0.08 -4.17 0.05 0.00 0.00 0.00 0.00 36.38 32.18 2k8s s VAL 33 CO 0.03 -0.14 -0.14 -0.70 0.00 0.00 0.00 175.10 174.15 2k8s s GLU 34 N 2.98 2.50 -0.28 2.72 2.12 0.13 -4.95 118.70 123.92 2k8s s GLU 34 Ca 0.37 -1.17 -0.16 0.00 0.36 0.00 0.00 54.97 54.37 2k8s s GLU 34 Cb -0.15 -2.79 -0.03 0.00 0.26 0.00 0.00 34.13 31.43 2k8s s GLU 34 CO 0.08 -0.45 0.43 0.42 -0.54 0.00 0.00 175.26 175.20 2k8s s ILE 35 N 1.17 5.13 -0.17 -3.70 1.01 -1.26 -0.51 121.20 122.86 2k8s s ILE 35 Ca -0.04 0.59 -0.02 0.00 0.00 0.00 0.00 60.65 61.18 2k8s s ILE 35 Cb -0.18 -3.77 -0.01 0.00 0.01 0.00 0.00 42.46 38.51 2k8s s ILE 35 CO -0.08 0.08 -0.10 -0.69 0.00 0.00 0.00 174.94 174.16 2k8s s VAL 36 N 2.17 3.16 -0.21 2.92 1.01 1.00 -4.93 120.40 125.52 2k8s s VAL 36 Ca 0.17 -0.60 -0.17 0.00 0.00 0.00 0.00 61.98 61.38 2k8s s VAL 36 Cb -0.16 -2.38 -0.03 0.00 0.00 0.00 0.00 36.38 33.81 2k8s s VAL 36 CO 0.10 0.49 0.47 -2.28 0.00 0.00 0.00 175.10 173.88 2k8s s HIS 37 N 0.85 3.35 -1.96 5.22 2.46 -1.26 -2.32 115.29 121.63 2k8s s HIS 37 Ca -0.03 0.68 0.28 0.00 0.47 0.00 0.00 55.06 56.46 2k8s s HIS 37 Cb -0.15 -2.62 1.02 0.00 -0.13 0.00 0.00 32.58 30.70 2k8s s HIS 37 CO 0.01 -0.10 1.73 1.28 -2.47 0.00 0.00 174.74 175.18 2k8s n LEU 38 N 4.81 0.97 -0.01 8.88 4.77 0.61 -3.60 117.00 133.43 2k8s n LEU 38 Ca -0.06 -0.25 -0.07 0.00 -0.03 0.00 0.00 56.01 55.59 2k8s n LEU 38 Cb 0.51 -0.09 -0.13 0.00 -2.33 0.00 0.00 43.42 41.37 2k8s n LEU 38 CO 0.41 0.17 -0.46 1.23 -1.33 0.00 0.00 177.39 177.41 2k8s h GLY 39 N 4.92 0.00 0.88 -0.72 0.00 -1.84 -3.37 103.07 102.94 2k8s h GLY 39 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.29 2k8s h GLY 39 CO 0.00 0.00 0.03 -0.84 0.00 0.00 0.00 176.54 175.73 2k8s h THR 40 N 0.00 1.24 -3.19 4.70 2.02 -1.94 -3.42 112.91 112.32 2k8s h THR 40 Ca -0.26 -0.84 -0.52 0.00 0.77 0.00 0.00 66.41 65.57 2k8s h THR 40 Cb 1.95 1.22 -0.37 0.00 -1.74 0.00 0.00 68.15 69.21 2k8s h THR 40 CO 0.08 0.27 -0.80 -1.81 0.37 0.00 0.00 175.52 173.63 2k8s s ASP 41 N -5.94 2.12 0.45 4.18 1.01 -1.26 -4.98 116.67 112.24 2k8s s ASP 41 Ca -0.13 -0.28 0.23 0.00 0.71 0.00 0.00 52.55 53.08 2k8s s ASP 41 Cb 0.08 -0.79 1.01 0.00 1.01 0.00 0.00 42.92 44.23 2k8s s ASP 41 CO 0.75 -0.13 1.87 0.11 0.21 0.00 0.00 175.17 177.99 2k8s h LYS 42 N 8.20 0.00 -0.51 8.23 1.57 -1.83 -2.69 116.57 129.54 2k8s h LYS 42 Ca -0.29 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.44 2k8s h LYS 42 Cb 1.13 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.42 2k8s h LYS 42 CO 0.39 0.24 0.10 0.00 -0.57 0.00 0.00 179.45 179.60 2k8s h ALA 43 N 1.76 1.22 0.00 3.86 0.00 -1.93 -1.99 119.26 122.18 2k8s h ALA 43 Ca -0.00 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.70 2k8s h ALA 43 Cb 0.66 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.24 2k8s h ALA 43 CO 0.03 0.53 0.00 0.54 0.00 0.00 0.00 179.25 180.35 2k8s n ARG 44 N -4.27 0.11 -0.13 0.00 1.74 -1.02 -2.28 116.66 110.81 2k8s n ARG 44 Ca 0.03 0.20 -0.11 0.00 -0.77 0.00 0.00 57.85 57.21 2k8s n ARG 44 Cb 0.24 -1.65 -0.02 0.00 -1.02 0.00 0.00 32.46 30.00 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 -0.46 0.55 2.04 -1.35 0.28 117.51 119.84 2k8s h ILE 45 Ca 0.00 -1.12 -0.07 0.00 1.00 0.00 0.00 64.86 64.67 2k8s h ILE 45 Cb 0.47 1.22 -0.02 0.00 -0.74 0.00 0.00 36.82 37.75 2k8s h ILE 45 CO 0.00 0.37 0.00 0.00 0.00 0.00 0.00 178.15 178.53 2k8s h ALA 46 N 0.85 1.14 -0.13 1.87 0.00 -1.48 0.17 119.26 121.68 2k8s h ALA 46 Ca 0.10 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 2k8s h ALA 46 Cb 0.57 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 2k8s h ALA 46 CO 0.03 0.55 0.06 0.93 0.00 0.00 0.00 179.25 180.82 2k8s h GLU 47 N 0.71 0.20 -0.73 0.00 5.08 -1.33 -1.92 114.58 116.58 2k8s h GLU 47 Ca 0.14 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 2k8s h GLU 47 Cb 0.43 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.61 2k8s h GLU 47 CO 0.02 0.28 0.47 0.00 -1.00 0.00 0.00 179.01 178.78 2k8s h ALA 48 N 0.91 0.93 -0.08 3.43 0.00 -0.62 -0.13 119.26 123.70 2k8s h ALA 48 Ca 0.05 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 54.93 2k8s h ALA 48 Cb 0.16 -0.30 -0.05 0.00 0.00 0.00 0.00 17.79 17.60 2k8s h ALA 48 CO -0.00 0.36 -0.19 1.49 0.00 0.00 0.00 179.25 180.90 2k8s h GLU 49 N 0.99 -0.26 0.00 0.00 4.81 -0.83 -0.34 114.58 118.96 2k8s h GLU 49 Ca 0.27 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.51 2k8s h GLU 49 Cb -0.09 0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.34 2k8s h GLU 49 CO -0.06 -0.17 0.00 1.63 -0.73 0.00 0.00 179.01 179.68 2k8s n LYS 50 N -5.33 0.03 0.03 1.92 5.02 -0.74 -1.81 118.16 117.29 2k8s n LYS 50 Ca -0.04 0.15 0.12 0.00 -2.02 0.00 0.00 58.31 56.53 2k8s n LYS 50 Cb 0.25 -1.55 0.30 0.00 -0.02 0.00 0.00 35.03 34.00 2k8s n LYS 50 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2k8s n ALA 51 N -1.54 3.00 0.00 7.82 0.00 -0.09 -4.93 120.51 124.77 2k8s n ALA 51 Ca 0.05 -0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.25 2k8s n ALA 51 Cb 0.27 -1.23 0.00 0.00 0.00 0.00 0.00 19.45 18.49 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 1.42 1.27 3.64 0.00 0.00 -0.75 -4.98 105.19 105.79 2k8s n GLY 52 Ca 0.05 0.00 -0.43 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 4.34 -0.15 1.61 1.01 -0.24 -4.84 120.40 120.13 2k8s s VAL 53 Ca 0.00 1.54 0.11 0.00 0.00 0.00 0.00 61.98 63.63 2k8s s VAL 53 Cb 0.00 -4.28 -0.23 0.00 0.00 0.00 0.00 36.38 31.86 2k8s s VAL 53 CO 0.00 -0.46 0.26 1.17 0.00 0.00 0.00 175.10 176.07 2k8s n LYS 54 N 7.04 0.67 -3.97 2.72 4.81 -1.26 -4.50 118.16 123.67 2k8s n LYS 54 Ca 0.13 0.15 -0.11 0.00 -0.87 0.00 0.00 58.31 57.61 2k8s n LYS 54 Cb 0.47 -1.64 -0.03 0.00 0.02 0.00 0.00 35.03 33.85 2k8s n LYS 54 CO 0.00 0.00 0.00 -1.12 1.17 0.00 0.00 177.40 177.45 2k8s s SER 55 N -6.03 0.29 0.05 3.14 0.01 -1.26 -0.81 113.70 109.09 2k8s s SER 55 Ca -0.13 -1.16 0.05 0.00 1.31 0.00 0.00 55.95 56.02 2k8s s SER 55 Cb 0.07 0.69 -0.02 0.00 0.21 0.00 0.00 66.02 66.97 2k8s s SER 55 CO 0.79 -1.35 -0.15 0.68 0.41 0.00 0.00 173.24 173.62 2k8s s VAL 56 N -3.24 1.15 0.46 3.43 -7.23 0.11 -3.90 120.40 111.18 2k8s s VAL 56 Ca 0.23 -1.12 -0.20 0.00 -1.81 0.00 0.00 61.98 59.08 2k8s s VAL 56 Cb -0.02 -1.06 -0.10 0.00 0.56 0.00 0.00 36.38 35.76 2k8s s VAL 56 CO 0.14 -0.06 0.99 -2.84 -0.31 0.00 0.00 175.10 173.01 2k8s s PRO 57 N -1.35 4.03 -0.12 4.82 0.02 -1.26 -2.59 135.00 138.55 2k8s s PRO 57 Ca 0.01 1.21 -0.01 0.00 0.02 0.00 0.00 61.00 62.23 2k8s s PRO 57 Cb -0.09 -2.14 0.03 0.00 0.02 0.00 0.00 34.50 32.33 2k8s s PRO 57 CO 0.02 -0.22 -0.03 0.00 -0.33 0.00 0.00 177.00 176.44 2k8s s ALA 58 N -2.12 1.09 -0.51 -1.55 0.00 0.01 -1.08 121.76 117.60 2k8s s ALA 58 Ca 0.64 -0.48 -0.15 0.00 0.00 0.00 0.00 51.96 51.97 2k8s s ALA 58 Cb -0.12 -0.93 0.11 0.00 0.00 0.00 0.00 23.12 22.17 2k8s s ALA 58 CO 0.17 -0.62 0.45 -1.17 0.00 0.00 0.00 175.76 174.59 2k8s s LEU 59 N 1.81 5.93 -0.86 0.00 0.20 0.14 0.13 118.68 126.02 2k8s s LEU 59 Ca 0.03 -1.61 -0.25 0.00 0.69 0.00 0.00 54.13 52.99 2k8s s LEU 59 Cb -0.14 -2.19 0.03 0.00 -0.43 0.00 0.00 46.19 43.47 2k8s s LEU 59 CO -0.07 -0.76 1.42 -0.69 -0.29 0.00 0.00 176.35 175.95 2k8s s VAL 60 N 1.60 3.78 -0.43 1.68 1.01 0.17 -0.55 120.40 127.65 2k8s s VAL 60 Ca 0.04 -0.15 -0.21 0.00 0.00 0.00 0.00 61.98 61.65 2k8s s VAL 60 Cb -0.27 -4.89 0.02 0.00 0.00 0.00 0.00 36.38 31.24 2k8s s VAL 60 CO 0.04 -1.80 0.68 -0.63 0.00 0.00 0.00 175.10 173.39 2k8s s ILE 61 N 5.78 4.79 0.00 2.22 1.01 0.77 -0.17 121.20 135.60 2k8s s ILE 61 Ca 0.43 0.28 0.00 0.00 0.00 0.00 0.00 60.65 61.36 2k8s s ILE 61 Cb -0.05 -4.22 0.00 0.00 0.01 0.00 0.00 42.46 38.20 2k8s s ILE 61 CO 0.04 -0.59 0.00 -0.67 0.00 0.00 0.00 174.94 173.72 2k8s n ASP 62 N 6.36 0.00 0.00 3.58 2.03 -0.83 -1.98 116.55 125.71 2k8s n ASP 62 Ca -0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 2k8s n ASP 62 Cb 0.48 -1.03 0.00 0.00 -0.72 0.00 0.00 41.12 39.85 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 -2.00 1.38 3.70 0.27 0.00 -1.26 -4.88 105.19 102.41 2k8s n GLY 63 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.10 3.46 -0.25 4.61 0.00 -0.84 -5.00 121.76 123.65 2k8s s ALA 64 Ca 0.00 -0.16 -0.29 0.00 0.00 0.00 0.00 51.96 51.51 2k8s s ALA 64 Cb 0.00 -2.78 0.01 0.00 0.00 0.00 0.00 23.12 20.35 2k8s s ALA 64 CO 0.00 -0.16 1.03 0.00 0.00 0.00 0.00 175.76 176.63 2k8s s ALA 65 N 0.97 3.64 -0.35 0.00 0.00 -1.26 -0.16 121.76 124.59 2k8s s ALA 65 Ca 0.29 0.09 -0.05 0.00 0.00 0.00 0.00 51.96 52.28 2k8s s ALA 65 Cb -0.16 -3.55 0.06 0.00 0.00 0.00 0.00 23.12 19.47 2k8s s ALA 65 CO 0.12 -1.15 0.12 -0.06 0.00 0.00 0.00 175.76 174.79 2k8s s PHE 66 N 3.28 3.33 -0.50 0.00 0.08 0.28 -4.91 117.98 119.54 2k8s s PHE 66 Ca 0.43 -1.73 -0.28 0.00 0.12 0.00 0.00 56.93 55.47 2k8s s PHE 66 Cb -0.14 -2.50 0.03 0.00 -0.57 0.00 0.00 43.02 39.83 2k8s s PHE 66 CO 0.08 -0.81 1.11 -1.01 -0.10 0.00 0.00 175.22 174.49 2k8s s HIS 67 N 1.32 2.79 -0.52 0.36 3.76 -1.26 0.25 115.29 121.99 2k8s s HIS 67 Ca -0.00 0.58 -0.22 0.00 -0.15 0.00 0.00 55.06 55.27 2k8s s HIS 67 Cb -0.21 -4.37 0.05 0.00 1.11 0.00 0.00 32.58 29.16 2k8s s HIS 67 CO 0.00 -1.31 0.79 0.42 -0.85 0.00 0.00 174.74 173.80 2k8s s ILE 68 N 4.42 4.62 -0.20 0.60 1.01 -0.25 -4.56 121.20 126.85 2k8s s ILE 68 Ca 0.45 -0.03 -0.08 0.00 0.00 0.00 0.00 60.65 60.99 2k8s s ILE 68 Cb -0.08 -4.42 0.03 0.00 0.01 0.00 0.00 42.46 38.01 2k8s s ILE 68 CO 0.30 -0.95 0.15 0.59 0.00 0.00 0.00 174.94 175.03 2k8s n ASN 69 N 6.85 -2.52 -4.57 3.58 4.13 -1.26 -4.13 115.26 117.34 2k8s n ASN 69 Ca -0.02 1.19 -0.40 0.00 1.68 0.00 0.00 54.58 57.04 2k8s n ASN 69 Cb 0.47 -4.73 -0.03 0.00 -1.54 0.00 0.00 39.78 33.95 2k8s n ASN 69 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 2k8s s PHE 70 N -0.83 1.29 -0.20 3.10 5.36 -1.26 -4.18 117.98 121.26 2k8s s PHE 70 Ca -0.18 0.99 -0.11 0.00 -0.96 0.00 0.00 56.93 56.66 2k8s s PHE 70 Cb 0.01 -3.85 -0.08 0.00 -0.34 0.00 0.00 43.02 38.76 2k8s s PHE 70 CO 0.69 -3.07 -0.28 0.41 -1.46 0.00 0.00 175.22 171.51 2k8s n GLY 71 N 5.80 -0.36 2.85 13.12 0.00 -1.15 -5.03 105.19 120.41 2k8s n GLY 71 Ca 0.30 -0.14 -0.13 0.00 0.00 0.00 0.00 46.02 46.05 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 -2.46 0.06 0.70 4.61 0.00 -1.07 -5.04 121.76 118.56 2k8s s ALA 72 Ca -0.28 0.08 -0.11 0.00 0.00 0.00 0.00 51.96 51.65 2k8s s ALA 72 Cb 0.10 -0.09 0.02 0.00 0.00 0.00 0.00 23.12 23.15 2k8s s ALA 72 CO 0.37 -0.03 1.07 0.20 0.00 0.00 0.00 175.76 177.38 2k8s s GLY 73 N 0.33 1.62 0.00 0.00 0.00 -1.26 0.06 107.32 108.06 2k8s s GLY 73 Ca -0.03 -0.44 0.22 0.00 0.00 0.00 0.00 44.72 44.47 2k8s s GLY 73 CO -0.01 -0.08 1.72 4.51 0.00 0.00 0.00 173.10 179.25 2k8s n ILE 74 N -2.97 0.42 -0.09 0.90 3.06 0.01 -2.03 119.36 118.65 2k8s n ILE 74 Ca 0.07 0.11 -0.13 0.00 -2.50 0.00 0.00 62.75 60.29 2k8s n ILE 74 Cb 0.58 -0.73 -0.04 0.00 0.54 0.00 0.00 39.64 39.99 2k8s n ILE 74 CO 0.00 0.00 0.00 -0.78 -2.50 0.00 0.00 176.55 173.27 2k8s h ASP 75 N 0.00 0.73 0.79 9.51 3.58 -1.92 -2.83 116.42 126.28 2k8s h ASP 75 Ca 0.00 -0.46 0.00 0.00 0.42 0.00 0.00 57.03 56.99 2k8s h ASP 75 Cb 0.33 -0.21 0.00 0.00 1.72 0.00 0.00 39.33 41.18 2k8s h ASP 75 CO 0.00 1.04 0.00 0.47 -2.88 0.00 0.00 179.24 177.87 2k8s n ASP 76 N -4.29 0.65 -0.09 2.28 9.92 -0.86 -1.91 116.55 122.25 2k8s n ASP 76 Ca -0.04 0.65 0.14 0.00 -0.53 0.00 0.00 54.79 55.01 2k8s n ASP 76 Cb 0.46 -0.79 0.51 0.00 -0.64 0.00 0.00 41.12 40.65 2k8s n ASP 76 CO 0.00 0.00 0.00 -0.11 0.13 0.00 0.00 177.20 177.22 2k8s n LEU 77 N -2.21 0.48 -4.39 0.64 7.94 -1.07 -4.84 117.00 113.54 2k8s n LEU 77 Ca 0.02 0.05 -0.21 0.00 -1.11 0.00 0.00 56.01 54.77 2k8s n LEU 77 Cb 0.25 -0.24 -0.10 0.00 0.53 0.00 0.00 43.42 43.86 2k8s n LEU 77 CO 0.20 0.10 -0.46 -0.54 -1.11 0.00 0.00 177.39 175.58 2k8s s LYS 78 N -2.67 1.46 -0.75 1.96 1.02 -0.80 -5.04 119.74 114.92 2k8s s LYS 78 Ca 0.22 -1.65 -0.06 0.00 0.02 0.00 0.00 55.97 54.50 2k8s s LYS 78 Cb 0.19 -1.37 -0.02 0.00 -0.52 0.00 0.00 37.83 36.12 2k8s s LYS 78 CO 0.54 0.24 2.89 0.41 -0.92 0.00 0.00 175.35 178.51 2k8s n GLY 79 N -0.45 4.26 0.44 -3.33 0.00 -1.26 -4.93 105.19 99.91 2k8s n GLY 79 Ca -0.07 -1.72 0.14 0.00 0.00 0.00 0.00 46.02 44.37 2k8s n GLY 79 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76