#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 1.08 1.01 3.52 0.00 -1.26 -4.73 121.76 121.38 2k8s s ALA 2 Ca 0.00 -1.01 -0.03 0.00 0.00 0.00 0.00 51.96 50.92 2k8s s ALA 2 Cb 0.00 -1.33 0.04 0.00 0.00 0.00 0.00 23.12 21.83 2k8s s ALA 2 CO 0.00 -1.38 0.21 0.43 0.00 0.00 0.00 175.76 175.02 2k8s n SER 3 N 5.03 -0.17 -4.52 0.00 7.64 -0.97 -4.73 113.62 115.90 2k8s n SER 3 Ca -0.07 -1.00 -0.29 0.00 1.01 0.00 0.00 58.87 58.52 2k8s n SER 3 Cb 0.45 -0.16 -0.11 0.00 -1.01 0.00 0.00 64.21 63.38 2k8s n SER 3 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 2k8s s LYS 4 N -3.46 1.90 -0.16 1.43 2.20 -1.26 0.46 119.74 120.85 2k8s s LYS 4 Ca 0.12 -1.15 -0.04 0.00 -0.36 0.00 0.00 55.97 54.54 2k8s s LYS 4 Cb -0.00 -2.17 0.06 0.00 -1.51 0.00 0.00 37.83 34.21 2k8s s LYS 4 CO 0.09 0.48 0.08 0.00 -0.36 0.00 0.00 175.35 175.63 2k8s s ALA 5 N -1.23 0.49 -0.25 3.13 0.00 0.11 0.44 121.76 124.45 2k8s s ALA 5 Ca 0.20 -0.30 -0.13 0.00 0.00 0.00 0.00 51.96 51.72 2k8s s ALA 5 Cb -0.10 -1.00 -0.04 0.00 0.00 0.00 0.00 23.12 21.97 2k8s s ALA 5 CO 0.12 -1.08 0.30 0.42 0.00 0.00 0.00 175.76 175.51 2k8s s ILE 6 N 2.10 5.24 -0.45 0.00 -1.09 -0.03 -0.60 121.20 126.38 2k8s s ILE 6 Ca 0.02 0.45 -0.09 0.00 -2.23 0.00 0.00 60.65 58.80 2k8s s ILE 6 Cb -0.16 -3.63 0.10 0.00 -1.58 0.00 0.00 42.46 37.19 2k8s s ILE 6 CO -0.08 0.24 0.30 0.12 -1.23 0.00 0.00 174.94 174.28 2k8s s PHE 7 N 1.63 3.40 -0.10 3.97 5.36 0.57 0.26 117.98 133.06 2k8s s PHE 7 Ca 0.13 -1.77 -0.18 0.00 -0.96 0.00 0.00 56.93 54.15 2k8s s PHE 7 Cb -0.15 -3.26 -0.04 0.00 -0.34 0.00 0.00 43.02 39.23 2k8s s PHE 7 CO 0.08 -0.93 0.46 0.71 -1.46 0.00 0.00 175.22 174.08 2k8s s TYR 8 N 1.37 3.55 0.24 10.12 2.02 0.04 0.32 117.35 135.01 2k8s s TYR 8 Ca 0.05 0.90 -0.19 0.00 -0.37 0.00 0.00 57.07 57.46 2k8s s TYR 8 Cb -0.25 -2.51 0.02 0.00 -0.40 0.00 0.00 41.96 38.83 2k8s s TYR 8 CO 0.00 0.25 0.61 -3.38 -1.57 0.00 0.00 175.55 171.46 2k8s s HIS 9 N 0.34 -0.09 -0.78 2.71 -3.43 -0.84 0.26 115.29 113.46 2k8s s HIS 9 Ca 0.25 -0.30 0.12 0.00 -0.80 0.00 0.00 55.06 54.33 2k8s s HIS 9 Cb -0.15 0.51 0.35 0.00 -1.43 0.00 0.00 32.58 31.86 2k8s s HIS 9 CO 0.11 -1.08 1.29 0.00 -2.00 0.00 0.00 174.74 173.06 2k8s n ALA 10 N -0.41 2.35 -0.74 -1.38 0.00 -1.26 0.24 120.51 119.31 2k8s n ALA 10 Ca -0.06 -1.38 0.00 0.00 0.00 0.00 0.00 53.44 52.00 2k8s n ALA 10 Cb 0.61 -0.50 0.00 0.00 0.00 0.00 0.00 19.45 19.56 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 0.31 0.71 3.79 0.00 0.00 -1.26 -4.36 105.19 104.39 2k8s n GLY 11 Ca 0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.81 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 1.08 0.77 -0.72 0.00 0.11 -1.98 0.77 132.00 132.01 2k8s h PRO 13 Ca -0.49 -0.05 0.04 0.00 0.11 0.00 0.00 66.00 65.61 2k8s h PRO 13 Cb 1.24 -0.17 -0.04 0.00 0.11 0.00 0.00 31.00 32.14 2k8s h PRO 13 CO 0.57 0.51 0.48 0.28 -0.21 0.00 0.00 178.00 179.63 2k8s h VAL 14 N 0.79 1.10 -0.28 3.15 2.07 -1.95 -1.53 116.25 119.60 2k8s h VAL 14 Ca 0.49 -0.30 -0.14 0.00 0.82 0.00 0.00 66.70 67.57 2k8s h VAL 14 Cb 0.61 0.16 -0.00 0.00 -1.52 0.00 0.00 31.29 30.54 2k8s h VAL 14 CO -0.32 0.16 -0.35 0.00 0.02 0.00 0.00 177.57 177.07 2k8s h VAL 16 N 0.48 1.21 -0.31 0.00 2.07 -0.64 -0.09 116.25 118.97 2k8s h VAL 16 Ca 0.04 -0.61 -0.00 0.00 0.82 0.00 0.00 66.70 66.94 2k8s h VAL 16 Cb 0.94 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 31.13 2k8s h VAL 16 CO 0.08 0.25 0.18 0.28 0.02 0.00 0.00 177.57 178.39 2k8s h SER 17 N 0.88 0.37 -0.20 0.57 0.02 -1.25 0.35 113.55 114.29 2k8s h SER 17 Ca 0.21 -0.05 -0.07 0.00 -0.84 0.00 0.00 61.79 61.04 2k8s h SER 17 Cb 0.12 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 62.55 2k8s h SER 17 CO -0.03 0.32 -0.10 0.00 -1.14 0.00 0.00 176.83 175.88 2k8s h ALA 18 N 1.07 1.21 0.41 3.77 0.00 -1.22 -1.55 119.26 122.96 2k8s h ALA 18 Ca 0.11 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 2k8s h ALA 18 Cb 0.01 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.66 2k8s h ALA 18 CO -0.02 0.51 -0.20 1.49 0.00 0.00 0.00 179.25 181.03 2k8s h GLU 19 N 0.52 -0.53 0.00 0.00 4.81 -0.62 0.22 114.58 118.98 2k8s h GLU 19 Ca 0.10 0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.36 2k8s h GLU 19 Cb 0.48 0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.98 2k8s h GLU 19 CO 0.03 -0.24 0.00 1.04 -0.73 0.00 0.00 179.01 179.10 2k8s n GLN 20 N -5.23 0.15 -0.01 1.92 6.02 0.08 -2.07 117.38 118.24 2k8s n GLN 20 Ca -0.10 0.09 -0.03 0.00 -0.01 0.00 0.00 57.00 56.94 2k8s n GLN 20 Cb 0.28 -1.50 -0.01 0.00 1.02 0.00 0.00 30.24 30.03 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 -1.40 1.93 -0.04 -1.58 0.00 -0.59 -4.46 120.51 114.36 2k8s n ALA 21 Ca 0.08 -0.30 -0.15 0.00 0.00 0.00 0.00 53.44 53.07 2k8s n ALA 21 Cb 0.23 0.11 -0.08 0.00 0.00 0.00 0.00 19.45 19.71 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 -0.32 1.38 0.00 0.00 2.07 -0.70 -0.41 116.25 118.26 2k8s h VAL 22 Ca 0.00 -1.73 0.00 0.00 0.82 0.00 0.00 66.70 65.79 2k8s h VAL 22 Cb 0.32 2.15 0.00 0.00 -1.52 0.00 0.00 31.29 32.25 2k8s h VAL 22 CO 0.00 0.51 0.00 0.00 0.02 0.00 0.00 177.57 178.10 2k8s n ALA 23 N -2.52 2.59 -0.05 1.67 0.00 -0.88 -1.41 120.51 119.90 2k8s n ALA 23 Ca -0.08 -0.18 -0.04 0.00 0.00 0.00 0.00 53.44 53.15 2k8s n ALA 23 Cb 0.54 -1.47 -0.15 0.00 0.00 0.00 0.00 19.45 18.38 2k8s n ALA 23 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2k8s n ASN 24 N -0.99 0.18 0.09 0.00 2.85 -1.03 -4.27 115.26 112.09 2k8s n ASN 24 Ca 0.22 0.08 -0.09 0.00 -0.11 0.00 0.00 54.58 54.68 2k8s n ASN 24 Cb 0.10 1.04 -0.03 0.00 1.24 0.00 0.00 39.78 42.13 2k8s n ASN 24 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2k8s h ALA 25 N 1.30 0.48 -2.46 5.20 0.00 -0.06 -3.43 119.26 120.28 2k8s h ALA 25 Ca -0.35 -0.76 -0.54 0.00 0.00 0.00 0.00 54.91 53.27 2k8s h ALA 25 Cb 1.85 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.56 2k8s h ALA 25 CO 0.03 0.96 0.64 0.42 0.00 0.00 0.00 179.25 181.31 2k8s s ILE 26 N -3.11 3.87 -0.01 0.00 1.01 -0.50 -5.00 121.20 117.46 2k8s s ILE 26 Ca -0.02 1.32 -0.24 0.00 0.00 0.00 0.00 60.65 61.71 2k8s s ILE 26 Cb 0.10 -3.85 -0.04 0.00 0.01 0.00 0.00 42.46 38.68 2k8s s ILE 26 CO 0.83 0.08 0.74 -0.62 0.00 0.00 0.00 174.94 175.96 2k8s s ASP 27 N 1.22 7.10 0.61 3.58 -1.08 -1.26 -4.92 116.67 121.93 2k8s s ASP 27 Ca 0.60 1.32 0.41 0.00 -0.52 0.00 0.00 52.55 54.36 2k8s s ASP 27 Cb -0.31 -2.44 2.10 0.00 -1.46 0.00 0.00 42.92 40.81 2k8s s ASP 27 CO 0.28 -0.05 2.23 1.55 0.52 0.00 0.00 175.17 179.70 2k8s h PRO 28 N 6.22 0.00 -0.52 4.34 0.13 -1.95 0.12 132.00 140.34 2k8s h PRO 28 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 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 0.73 0.00 0.00 0.43 -0.23 0.00 0.00 178.00 178.93 2k8s n SER 29 N -3.02 3.49 -0.04 1.44 7.64 -1.26 -4.17 113.62 117.71 2k8s n SER 29 Ca -0.02 -1.98 -0.05 0.00 1.01 0.00 0.00 58.87 57.83 2k8s n SER 29 Cb 0.12 -0.34 -0.04 0.00 -1.01 0.00 0.00 64.21 62.94 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 1.46 0.79 -4.20 1.43 4.81 0.24 -4.71 118.16 117.98 2k8s n LYS 30 Ca 0.21 0.04 -0.16 0.00 -0.87 0.00 0.00 58.31 57.53 2k8s n LYS 30 Cb 0.58 -1.17 -0.14 0.00 0.02 0.00 0.00 35.03 34.33 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 -2.16 0.61 -0.82 5.64 1.51 -0.17 -2.28 117.35 119.67 2k8s s TYR 31 Ca -0.09 -0.18 -0.23 0.00 -1.01 0.00 0.00 57.07 55.55 2k8s s TYR 31 Cb 0.03 -0.39 0.07 0.00 -0.11 0.00 0.00 41.96 41.56 2k8s s TYR 31 CO 0.21 -0.02 1.19 0.99 -1.11 0.00 0.00 175.55 176.81 2k8s s THR 32 N -0.39 4.17 -0.32 -0.71 2.01 0.17 -4.32 115.64 116.25 2k8s s THR 32 Ca 0.00 -0.54 -0.22 0.00 0.31 0.00 0.00 61.69 61.25 2k8s s THR 32 Cb -0.04 -4.85 -0.00 0.00 0.01 0.00 0.00 72.50 67.62 2k8s s THR 32 CO -0.00 -1.68 0.70 -0.69 -0.69 0.00 0.00 174.62 172.26 2k8s s VAL 33 N 4.38 4.86 -0.24 3.82 1.01 -1.25 0.04 120.40 133.01 2k8s s VAL 33 Ca 0.33 0.90 0.01 0.00 0.00 0.00 0.00 61.98 63.22 2k8s s VAL 33 Cb -0.08 -4.09 0.04 0.00 0.00 0.00 0.00 36.38 32.25 2k8s s VAL 33 CO 0.02 -0.25 -0.10 -1.61 0.00 0.00 0.00 175.10 173.17 2k8s s GLU 34 N 2.80 2.60 -0.12 2.72 2.02 0.23 -4.98 118.70 123.97 2k8s s GLU 34 Ca 0.28 -1.12 -0.21 0.00 0.02 0.00 0.00 54.97 53.95 2k8s s GLU 34 Cb -0.14 -2.89 -0.04 0.00 0.10 0.00 0.00 34.13 31.16 2k8s s GLU 34 CO 0.13 -0.45 0.59 0.42 0.02 0.00 0.00 175.26 175.97 2k8s s ILE 35 N 1.23 5.10 -0.22 -1.63 1.01 -1.26 -0.32 121.20 125.11 2k8s s ILE 35 Ca -0.03 1.18 -0.00 0.00 0.00 0.00 0.00 60.65 61.80 2k8s s ILE 35 Cb -0.17 -3.92 0.03 0.00 0.01 0.00 0.00 42.46 38.40 2k8s s ILE 35 CO -0.06 0.25 -0.12 -0.69 0.00 0.00 0.00 174.94 174.32 2k8s s VAL 36 N 0.99 2.50 -0.46 2.92 1.01 0.15 -4.92 120.40 122.59 2k8s s VAL 36 Ca 0.31 -1.03 -0.25 0.00 0.00 0.00 0.00 61.98 61.00 2k8s s VAL 36 Cb -0.16 -2.21 0.03 0.00 0.00 0.00 0.00 36.38 34.04 2k8s s VAL 36 CO 0.13 0.32 0.92 -2.28 0.00 0.00 0.00 175.10 174.19 2k8s s HIS 37 N 1.29 2.93 -2.12 5.22 2.46 -1.26 -1.98 115.29 121.83 2k8s s HIS 37 Ca 0.01 0.40 0.29 0.00 0.47 0.00 0.00 55.06 56.24 2k8s s HIS 37 Cb -0.15 -3.95 1.35 0.00 -0.13 0.00 0.00 32.58 29.69 2k8s s HIS 37 CO -0.08 -1.09 1.92 1.28 -2.47 0.00 0.00 174.74 174.30 2k8s n LEU 38 N 7.14 0.77 0.01 8.88 4.77 0.14 -3.59 117.00 135.12 2k8s n LEU 38 Ca 0.06 -0.22 -0.06 0.00 -0.03 0.00 0.00 56.01 55.76 2k8s n LEU 38 Cb 0.48 -0.05 -0.12 0.00 -2.33 0.00 0.00 43.42 41.41 2k8s n LEU 38 CO 0.64 0.13 -0.34 1.23 -1.33 0.00 0.00 177.39 177.72 2k8s h GLY 39 N 4.93 0.00 0.25 -0.72 0.00 -1.76 -3.39 103.07 102.38 2k8s h GLY 39 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 2k8s h GLY 39 CO 0.00 0.00 -0.07 -0.84 0.00 0.00 0.00 176.54 175.63 2k8s h THR 40 N 0.00 0.74 -4.02 4.70 2.02 -1.91 -3.45 112.91 111.00 2k8s h THR 40 Ca -0.21 -1.22 -0.69 0.00 0.77 0.00 0.00 66.41 65.06 2k8s h THR 40 Cb 1.87 1.30 -0.26 0.00 -1.74 0.00 0.00 68.15 69.32 2k8s h THR 40 CO 0.08 0.21 -0.80 -0.62 0.37 0.00 0.00 175.52 174.76 2k8s s ASP 41 N -5.54 3.77 0.20 4.18 2.15 -1.26 -5.02 116.67 115.17 2k8s s ASP 41 Ca -0.11 -0.29 0.23 0.00 0.43 0.00 0.00 52.55 52.81 2k8s s ASP 41 Cb -0.00 -0.88 0.06 0.00 -0.30 0.00 0.00 42.92 41.80 2k8s s ASP 41 CO 0.40 0.31 1.11 0.11 -0.17 0.00 0.00 175.17 176.92 2k8s h LYS 42 N 5.63 0.00 0.00 4.34 1.57 -1.88 -3.32 116.57 122.92 2k8s h LYS 42 Ca -0.41 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.35 2k8s h LYS 42 Cb 1.16 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.47 2k8s h LYS 42 CO 0.50 0.00 -0.06 0.00 -0.57 0.00 0.00 179.45 179.32 2k8s h ALA 43 N 2.07 1.02 0.00 3.86 0.00 -1.95 -1.83 119.26 122.44 2k8s h ALA 43 Ca 0.00 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 2k8s h ALA 43 Cb 0.96 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.74 2k8s h ALA 43 CO 0.00 0.07 -0.08 0.00 0.00 0.00 0.00 179.25 179.24 2k8s h ARG 44 N 0.00 0.00 -0.16 0.00 3.08 -1.94 -2.80 114.38 112.56 2k8s h ARG 44 Ca -0.00 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 59.97 2k8s h ARG 44 Cb 0.55 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.58 2k8s h ARG 44 CO 0.01 0.08 -0.24 0.82 -1.07 0.00 0.00 179.97 179.57 2k8s h ILE 45 N 0.00 1.24 -0.84 2.04 2.04 -1.55 -2.20 117.51 118.24 2k8s h ILE 45 Ca -0.00 -1.11 0.01 0.00 1.00 0.00 0.00 64.86 64.76 2k8s h ILE 45 Cb 0.45 1.38 -0.04 0.00 -0.74 0.00 0.00 36.82 37.87 2k8s h ILE 45 CO 0.01 0.34 0.54 0.00 0.00 0.00 0.00 178.15 179.04 2k8s h ALA 46 N 1.50 1.06 -0.35 1.87 0.00 -1.65 0.05 119.26 121.74 2k8s h ALA 46 Ca 0.04 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 2k8s h ALA 46 Cb 0.56 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 2k8s h ALA 46 CO 0.04 0.48 0.19 0.93 0.00 0.00 0.00 179.25 180.89 2k8s h GLU 47 N 1.14 0.49 -0.28 0.00 5.08 -1.53 -1.76 114.58 117.71 2k8s h GLU 47 Ca 0.30 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.60 2k8s h GLU 47 Cb -0.11 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.03 2k8s h GLU 47 CO -0.06 0.41 0.16 0.00 -1.00 0.00 0.00 179.01 178.52 2k8s h ALA 48 N 1.05 0.36 -0.36 3.43 0.00 -0.99 -1.01 119.26 121.74 2k8s h ALA 48 Ca 0.12 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 2k8s h ALA 48 Cb 0.07 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 2k8s h ALA 48 CO -0.02 -0.11 0.20 1.49 0.00 0.00 0.00 179.25 180.81 2k8s h GLU 49 N 0.34 0.50 0.00 0.00 4.81 -0.88 0.15 114.58 119.50 2k8s h GLU 49 Ca 0.10 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 2k8s h GLU 49 Cb 0.06 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.34 2k8s h GLU 49 CO -0.02 0.41 0.00 1.63 -0.73 0.00 0.00 179.01 180.30 2k8s n LYS 50 N -4.77 0.11 0.09 1.92 5.02 -0.67 -2.11 118.16 117.75 2k8s n LYS 50 Ca -0.00 0.20 0.12 0.00 -2.02 0.00 0.00 58.31 56.60 2k8s n LYS 50 Cb 0.08 -1.66 0.02 0.00 -0.02 0.00 0.00 35.03 33.45 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 -1.63 2.65 0.00 7.82 0.00 -0.39 -4.96 120.51 123.99 2k8s n ALA 51 Ca 0.05 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.24 2k8s n ALA 51 Cb 0.31 -1.10 0.00 0.00 0.00 0.00 0.00 19.45 18.65 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 1.22 1.25 3.69 0.00 0.00 -0.64 -4.83 105.19 105.88 2k8s n GLY 52 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 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 4.88 -0.24 1.61 1.01 0.42 -4.93 120.40 121.14 2k8s s VAL 53 Ca 0.00 1.79 0.03 0.00 0.00 0.00 0.00 61.98 63.80 2k8s s VAL 53 Cb 0.00 -4.20 -0.16 0.00 0.00 0.00 0.00 36.38 32.01 2k8s s VAL 53 CO 0.00 0.08 -0.20 0.29 0.00 0.00 0.00 175.10 175.27 2k8s n LYS 54 N 4.72 0.63 -4.10 2.72 5.02 -1.26 -4.46 118.16 121.43 2k8s n LYS 54 Ca 0.05 0.13 -0.11 0.00 -2.02 0.00 0.00 58.31 56.37 2k8s n LYS 54 Cb 0.50 -1.49 -0.08 0.00 -0.02 0.00 0.00 35.03 33.94 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 -6.33 0.05 0.09 4.39 0.01 -1.26 -0.85 113.70 109.80 2k8s s SER 55 Ca -0.32 -1.16 0.06 0.00 1.31 0.00 0.00 55.95 55.84 2k8s s SER 55 Cb 0.08 0.47 -0.03 0.00 0.21 0.00 0.00 66.02 66.75 2k8s s SER 55 CO 0.58 -0.97 -0.15 0.68 0.41 0.00 0.00 173.24 173.79 2k8s s VAL 56 N -4.09 1.26 0.28 3.43 -7.23 0.77 -3.80 120.40 111.02 2k8s s VAL 56 Ca 0.30 -1.47 -0.29 0.00 -1.81 0.00 0.00 61.98 58.71 2k8s s VAL 56 Cb 0.04 -1.28 -0.09 0.00 0.56 0.00 0.00 36.38 35.60 2k8s s VAL 56 CO 0.10 -0.27 1.09 -2.16 -0.31 0.00 0.00 175.10 173.55 2k8s s PRO 57 N -2.06 4.63 0.04 4.82 0.04 -1.24 -1.41 135.00 139.81 2k8s s PRO 57 Ca 0.03 1.77 0.05 0.00 0.04 0.00 0.00 61.00 62.89 2k8s s PRO 57 Cb -0.08 -3.16 -0.03 0.00 0.04 0.00 0.00 34.50 31.26 2k8s s PRO 57 CO 0.03 0.21 -0.11 0.00 0.04 0.00 0.00 177.00 177.17 2k8s s ALA 58 N -1.19 2.88 -0.31 8.56 0.00 0.14 -1.26 121.76 130.58 2k8s s ALA 58 Ca 0.45 -1.11 0.03 0.00 0.00 0.00 0.00 51.96 51.32 2k8s s ALA 58 Cb -0.31 -0.97 0.09 0.00 0.00 0.00 0.00 23.12 21.93 2k8s s ALA 58 CO 0.40 0.61 0.03 -1.17 0.00 0.00 0.00 175.76 175.63 2k8s s LEU 59 N -1.59 3.87 -0.69 0.00 2.96 0.15 -0.78 118.68 122.59 2k8s s LEU 59 Ca 0.17 -1.87 -0.24 0.00 -0.22 0.00 0.00 54.13 51.97 2k8s s LEU 59 Cb -0.11 -1.41 0.06 0.00 0.50 0.00 0.00 46.19 45.23 2k8s s LEU 59 CO 0.08 -0.36 1.08 -0.69 -1.32 0.00 0.00 176.35 175.15 2k8s s VAL 60 N 1.13 4.11 -0.67 1.68 1.01 0.14 -0.82 120.40 126.97 2k8s s VAL 60 Ca 0.07 -0.10 -0.21 0.00 0.00 0.00 0.00 61.98 61.74 2k8s s VAL 60 Cb -0.19 -4.77 0.09 0.00 0.00 0.00 0.00 36.38 31.51 2k8s s VAL 60 CO -0.11 -1.61 0.89 -0.63 0.00 0.00 0.00 175.10 173.64 2k8s s ILE 61 N 4.66 4.57 -2.13 2.22 1.01 0.13 -0.85 121.20 130.80 2k8s s ILE 61 Ca 0.27 -0.76 0.00 0.00 0.00 0.00 0.00 60.65 60.16 2k8s s ILE 61 Cb -0.13 -4.62 0.00 0.00 0.01 0.00 0.00 42.46 37.71 2k8s s ILE 61 CO 0.11 -1.34 0.00 -0.67 0.00 0.00 0.00 174.94 173.05 2k8s n ASP 62 N 7.03 -5.53 0.00 3.58 2.03 0.17 -1.29 116.55 122.54 2k8s n ASP 62 Ca -0.03 0.50 0.00 0.00 0.52 0.00 0.00 54.79 55.78 2k8s n ASP 62 Cb 0.45 -4.81 0.00 0.00 -0.72 0.00 0.00 41.12 36.03 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 -0.33 1.57 3.67 0.27 0.00 -1.26 -4.93 105.19 104.17 2k8s n GLY 63 Ca -0.20 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.45 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 -1.84 3.58 -0.55 4.61 0.00 -0.41 -5.04 121.76 122.11 2k8s s ALA 64 Ca 0.00 -0.66 -0.22 0.00 0.00 0.00 0.00 51.96 51.08 2k8s s ALA 64 Cb 0.00 -2.48 0.06 0.00 0.00 0.00 0.00 23.12 20.70 2k8s s ALA 64 CO 0.00 -0.21 0.80 0.00 0.00 0.00 0.00 175.76 176.35 2k8s s ALA 65 N 1.11 3.26 0.32 0.00 0.00 -1.26 0.21 121.76 125.40 2k8s s ALA 65 Ca 0.14 -1.59 0.07 0.00 0.00 0.00 0.00 51.96 50.59 2k8s s ALA 65 Cb -0.14 -3.59 -0.03 0.00 0.00 0.00 0.00 23.12 19.37 2k8s s ALA 65 CO 0.06 -2.29 0.28 -0.06 0.00 0.00 0.00 175.76 173.75 2k8s s PHE 66 N 3.36 2.94 0.01 0.00 0.08 -0.00 -4.95 117.98 119.42 2k8s s PHE 66 Ca 0.22 -0.27 0.05 0.00 0.12 0.00 0.00 56.93 57.05 2k8s s PHE 66 Cb -0.17 -1.73 -0.02 0.00 -0.57 0.00 0.00 43.02 40.54 2k8s s PHE 66 CO 0.14 0.24 -0.15 -1.01 -0.10 0.00 0.00 175.22 174.34 2k8s s HIS 67 N -2.27 1.32 -0.30 0.36 3.76 -1.26 0.30 115.29 117.19 2k8s s HIS 67 Ca 0.40 -0.30 -0.01 0.00 -0.15 0.00 0.00 55.06 55.00 2k8s s HIS 67 Cb -0.06 -0.82 0.10 0.00 1.11 0.00 0.00 32.58 32.91 2k8s s HIS 67 CO 0.26 0.01 0.09 0.42 -0.85 0.00 0.00 174.74 174.68 2k8s s ILE 68 N -0.58 0.88 0.16 0.60 1.01 -0.39 -4.91 121.20 117.97 2k8s s ILE 68 Ca 0.04 -1.37 0.00 0.00 0.00 0.00 0.00 60.65 59.33 2k8s s ILE 68 Cb -0.07 -1.65 0.00 0.00 0.01 0.00 0.00 42.46 40.76 2k8s s ILE 68 CO 0.00 -0.65 0.00 0.59 0.00 0.00 0.00 174.94 174.89 2k8s n ASN 69 N 4.85 -6.75 -4.55 3.58 3.02 -1.26 -3.97 115.26 110.17 2k8s n ASN 69 Ca -0.02 0.92 -0.36 0.00 -0.03 0.00 0.00 54.58 55.09 2k8s n ASN 69 Cb 0.42 -3.63 -0.04 0.00 -0.61 0.00 0.00 39.78 35.92 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 -0.57 1.97 -0.22 3.10 5.36 -1.26 -3.70 117.98 122.66 2k8s s PHE 70 Ca 0.00 0.30 -0.18 0.00 -0.96 0.00 0.00 56.93 56.09 2k8s s PHE 70 Cb 0.00 -4.28 -0.15 0.00 -0.34 0.00 0.00 43.02 38.25 2k8s s PHE 70 CO 0.00 -2.03 -0.03 0.41 -1.46 0.00 0.00 175.22 172.11 2k8s n GLY 71 N 6.20 -0.72 3.05 13.12 0.00 -0.50 -5.02 105.19 121.32 2k8s n GLY 71 Ca 0.25 -0.01 -0.09 0.00 0.00 0.00 0.00 46.02 46.18 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 -2.47 0.39 0.04 4.61 0.00 -0.79 -5.00 121.76 118.53 2k8s s ALA 72 Ca -0.31 -0.92 0.09 0.00 0.00 0.00 0.00 51.96 50.82 2k8s s ALA 72 Cb 0.08 0.19 -0.03 0.00 0.00 0.00 0.00 23.12 23.36 2k8s s ALA 72 CO 0.52 -0.24 -0.24 0.20 0.00 0.00 0.00 175.76 176.00 2k8s s GLY 73 N -2.19 1.43 0.48 0.00 0.00 -1.26 -0.16 107.32 105.61 2k8s s GLY 73 Ca -0.04 -1.24 0.19 0.00 0.00 0.00 0.00 44.72 43.64 2k8s s GLY 73 CO -0.05 -1.11 2.04 1.19 0.00 0.00 0.00 173.10 175.17 2k8s h ILE 74 N 4.20 0.93 -0.42 0.90 2.10 -1.31 0.11 117.51 124.03 2k8s h ILE 74 Ca -0.46 -0.52 -0.04 0.00 1.08 0.00 0.00 64.86 64.91 2k8s h ILE 74 Cb 1.14 1.29 -0.02 0.00 -1.09 0.00 0.00 36.82 38.15 2k8s h ILE 74 CO 0.45 0.14 0.07 -0.78 -1.08 0.00 0.00 178.15 176.95 2k8s h ASP 75 N 0.00 0.58 0.54 2.19 3.58 -1.91 -1.87 116.42 119.53 2k8s h ASP 75 Ca -0.00 -0.10 -0.29 0.00 0.42 0.00 0.00 57.03 57.06 2k8s h ASP 75 Cb 0.28 -0.15 -0.01 0.00 1.72 0.00 0.00 39.33 41.17 2k8s h ASP 75 CO 0.02 0.61 -1.46 -0.78 -2.88 0.00 0.00 179.24 174.74 2k8s h ASP 76 N 0.61 0.30 -0.32 2.28 3.58 -1.52 -3.34 116.42 118.01 2k8s h ASP 76 Ca 0.14 -0.41 0.05 0.00 0.42 0.00 0.00 57.03 57.23 2k8s h ASP 76 Cb 0.28 -0.10 -0.05 0.00 1.72 0.00 0.00 39.33 41.18 2k8s h ASP 76 CO 0.00 1.34 0.01 -0.07 -2.88 0.00 0.00 179.24 177.64 2k8s h LEU 77 N 0.05 -0.11 -8.89 2.28 3.38 -0.53 -3.34 115.31 108.16 2k8s h LEU 77 Ca -0.21 0.07 -0.57 0.00 0.09 0.00 0.00 57.88 57.26 2k8s h LEU 77 Cb 1.98 0.12 -0.04 0.00 0.09 0.00 0.00 40.66 42.81 2k8s h LEU 77 CO 0.15 -0.02 1.13 -0.54 0.09 0.00 0.00 178.44 179.25 2k8s s LYS 78 N -6.18 3.60 0.00 1.13 1.02 -0.73 -1.71 119.74 116.87 2k8s s LYS 78 Ca -0.13 1.28 0.00 0.00 0.02 0.00 0.00 55.97 57.13 2k8s s LYS 78 Cb 0.12 -4.06 0.00 0.00 -0.52 0.00 0.00 37.83 33.38 2k8s s LYS 78 CO 0.70 -1.53 0.00 0.41 -0.92 0.00 0.00 175.35 174.02 2k8s n GLY 79 N 4.98 1.05 0.68 -3.33 0.00 -1.26 -4.91 105.19 102.41 2k8s n GLY 79 Ca 0.19 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.34 2k8s n GLY 79 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76