#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k5n s ALA 2 N 0.00 3.56 0.11 3.04 0.00 -1.26 -4.36 121.76 122.85 2k5n s ALA 2 Ca 0.00 -0.69 0.06 0.00 0.00 0.00 0.00 51.96 51.33 2k5n s ALA 2 Cb 0.00 -2.96 -0.04 0.00 0.00 0.00 0.00 23.12 20.12 2k5n s ALA 2 CO 0.00 -0.90 -0.04 -1.64 0.00 0.00 0.00 175.76 173.18 2k5n s MET 3 N 2.39 2.36 0.22 0.00 1.00 -0.75 -4.94 119.30 119.59 2k5n s MET 3 Ca 0.22 -0.94 0.06 0.00 0.00 0.00 0.00 55.69 55.02 2k5n s MET 3 Cb -0.15 -2.43 -0.04 0.00 0.00 0.00 0.00 34.83 32.21 2k5n s MET 3 CO 0.10 0.52 0.22 -0.80 0.00 0.00 0.00 175.02 175.07 2k5n s ASN 4 N -2.35 5.77 0.28 3.03 -0.87 -1.26 -1.52 114.94 118.02 2k5n s ASN 4 Ca 0.24 -0.11 -0.11 0.00 -1.57 0.00 0.00 52.86 51.31 2k5n s ASN 4 Cb -0.11 -1.56 0.00 0.00 -0.02 0.00 0.00 41.25 39.56 2k5n s ASN 4 CO 0.17 -0.01 0.52 -0.83 -2.57 0.00 0.00 177.10 174.38 2k5n s GLY 5 N -3.62 0.68 -0.08 0.66 0.00 -0.20 -1.60 107.32 103.16 2k5n s GLY 5 Ca 0.33 -0.97 0.04 0.00 0.00 0.00 0.00 44.72 44.12 2k5n s GLY 5 CO 0.26 -0.65 -0.21 -1.59 0.00 0.00 0.00 173.10 170.91 2k5n s THR 6 N -3.66 1.83 -0.43 0.90 2.01 0.48 -0.34 115.64 116.43 2k5n s THR 6 Ca 0.23 -0.89 -0.28 0.00 0.31 0.00 0.00 61.69 61.06 2k5n s THR 6 Cb -0.01 -1.59 -0.02 0.00 0.01 0.00 0.00 72.50 70.89 2k5n s THR 6 CO 0.11 0.51 1.88 -0.63 -0.69 0.00 0.00 174.62 175.81 2k5n s ILE 7 N 0.34 3.38 -0.17 1.82 1.01 -0.06 -2.73 121.20 124.78 2k5n s ILE 7 Ca -0.16 0.34 0.04 0.00 0.00 0.00 0.00 60.65 60.87 2k5n s ILE 7 Cb -0.17 -3.67 -0.22 0.00 0.01 0.00 0.00 42.46 38.41 2k5n s ILE 7 CO 0.07 -0.53 0.16 0.41 0.00 0.00 0.00 174.94 175.05 2k5n n THR 8 N 7.41 1.58 -3.79 2.92 -1.04 -0.66 -0.77 114.28 119.92 2k5n n THR 8 Ca 0.23 -0.69 -0.13 0.00 -2.04 0.00 0.00 64.05 61.43 2k5n n THR 8 Cb 0.49 -1.26 -0.13 0.00 -1.82 0.00 0.00 70.33 67.62 2k5n n THR 8 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 2k5n s THR 9 N -2.54 -0.01 -0.10 12.58 2.01 -0.02 -4.88 115.64 122.68 2k5n s THR 9 Ca -0.21 0.05 -0.04 0.00 0.31 0.00 0.00 61.69 61.80 2k5n s THR 9 Cb 0.08 -0.27 0.05 0.00 0.01 0.00 0.00 72.50 72.37 2k5n s THR 9 CO 0.74 0.02 0.22 0.86 -0.69 0.00 0.00 174.62 175.76 2k5n s TRP 10 N 0.43 -0.30 -0.42 4.92 -0.00 -1.26 -0.07 118.94 122.23 2k5n s TRP 10 Ca -0.03 0.75 0.04 0.00 -0.00 0.00 0.00 56.10 56.86 2k5n s TRP 10 Cb -0.04 -0.04 0.11 0.00 -0.00 0.00 0.00 33.47 33.50 2k5n s TRP 10 CO -0.02 -0.26 0.15 -0.06 -0.00 0.00 0.00 176.95 176.76 2k5n s PHE 11 N 1.69 3.51 0.20 5.86 0.08 -0.35 -4.98 117.98 124.00 2k5n s PHE 11 Ca -0.05 -3.08 -0.09 0.00 0.12 0.00 0.00 56.93 53.83 2k5n s PHE 11 Cb -0.11 -2.89 0.14 0.00 -0.57 0.00 0.00 43.02 39.59 2k5n s PHE 11 CO -0.08 -0.86 1.78 -0.22 -0.10 0.00 0.00 175.22 175.74 2k5n h LYS 12 N 7.12 1.10 -0.49 0.44 3.64 -1.95 0.27 116.57 126.69 2k5n h LYS 12 Ca -0.06 -0.18 -0.07 0.00 -1.27 0.00 0.00 60.65 59.07 2k5n h LYS 12 Cb 0.96 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 32.57 2k5n h LYS 12 CO 0.60 0.88 0.02 -0.44 -2.27 0.00 0.00 179.45 178.24 2k5n h ASP 13 N 1.06 0.77 0.67 4.20 3.32 -1.94 -3.00 116.42 121.50 2k5n h ASP 13 Ca 0.25 -0.18 -0.26 0.00 0.02 0.00 0.00 57.03 56.86 2k5n h ASP 13 Cb 0.17 -0.20 -0.04 0.00 0.22 0.00 0.00 39.33 39.48 2k5n h ASP 13 CO -0.03 0.82 -1.45 0.50 -1.72 0.00 0.00 179.24 177.37 2k5n h LYS 14 N 0.76 0.02 0.00 3.56 1.63 -1.91 -3.48 116.57 117.15 2k5n h LYS 14 Ca 0.15 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.92 2k5n h LYS 14 Cb 0.43 0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.06 2k5n h LYS 14 CO 0.02 0.71 0.00 0.41 -3.45 0.00 0.00 179.45 177.14 2k5n n GLY 15 N 1.49 0.76 3.52 5.01 0.00 0.92 -5.01 105.19 111.88 2k5n n GLY 15 Ca -0.11 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.66 2k5n n GLY 15 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2k5n s PHE 16 N -2.35 2.38 0.25 1.61 0.08 -1.14 -0.04 117.98 118.77 2k5n s PHE 16 Ca 0.00 -0.40 -0.21 0.00 0.12 0.00 0.00 56.93 56.44 2k5n s PHE 16 Cb 0.00 -1.20 0.05 0.00 -0.57 0.00 0.00 43.02 41.30 2k5n s PHE 16 CO 0.00 0.64 0.86 0.20 -0.10 0.00 0.00 175.22 176.81 2k5n s GLY 17 N -3.58 -0.01 -0.05 4.36 0.00 -0.83 -1.21 107.32 106.01 2k5n s GLY 17 Ca 0.31 -0.27 0.02 0.00 0.00 0.00 0.00 44.72 44.78 2k5n s GLY 17 CO 0.16 0.24 -0.09 -1.36 0.00 0.00 0.00 173.10 172.05 2k5n s PHE 18 N -3.13 1.15 -0.03 1.90 0.08 0.89 -1.00 117.98 117.83 2k5n s PHE 18 Ca 0.14 -0.37 0.01 0.00 0.12 0.00 0.00 56.93 56.83 2k5n s PHE 18 Cb -0.04 -0.87 0.02 0.00 -0.57 0.00 0.00 43.02 41.57 2k5n s PHE 18 CO 0.06 -0.21 -0.02 0.42 -0.10 0.00 0.00 175.22 175.38 2k5n s ILE 19 N 0.60 0.32 0.02 0.64 1.01 -1.07 -0.84 121.20 121.90 2k5n s ILE 19 Ca -0.11 -0.01 -0.17 0.00 0.00 0.00 0.00 60.65 60.36 2k5n s ILE 19 Cb -0.14 -0.38 -0.06 0.00 0.01 0.00 0.00 42.46 41.89 2k5n s ILE 19 CO 0.02 0.17 0.47 -1.59 0.00 0.00 0.00 174.94 174.01 2k5n s LYS 20 N 0.89 4.04 0.00 2.79 0.00 -1.11 -1.09 119.74 125.26 2k5n s LYS 20 Ca -0.10 0.54 0.00 0.00 0.00 0.00 0.00 55.97 56.41 2k5n s LYS 20 Cb -0.13 -3.24 0.00 0.00 0.00 0.00 0.00 37.83 34.46 2k5n s LYS 20 CO -0.01 0.65 0.00 -0.40 0.00 0.00 0.00 175.35 175.59 2k5n n ASP 21 N 1.87 1.59 0.11 0.03 5.75 -1.13 -0.38 116.55 124.38 2k5n n ASP 21 Ca -0.12 -0.46 0.03 0.00 -0.01 0.00 0.00 54.79 54.22 2k5n n ASP 21 Cb 0.52 0.00 0.42 0.00 -1.03 0.00 0.00 41.12 41.03 2k5n n ASP 21 CO 0.00 0.00 0.00 -0.33 -0.11 0.00 0.00 177.20 176.76 2k5n h GLU 22 N 0.00 0.28 -0.33 0.11 4.39 -1.66 -2.71 114.58 114.66 2k5n h GLU 22 Ca 0.00 -0.05 -0.03 0.00 0.34 0.00 0.00 59.36 59.63 2k5n h GLU 22 Cb 0.00 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 28.59 2k5n h GLU 22 CO 0.00 0.33 0.09 -0.97 -1.16 0.00 0.00 179.01 177.31 2k5n h ASN 23 N 0.27 0.43 0.00 1.42 -0.73 -1.95 -3.46 115.58 111.56 2k5n h ASN 23 Ca 0.06 -0.05 0.00 0.00 1.87 0.00 0.00 56.30 58.18 2k5n h ASN 23 Cb 0.25 -0.11 0.00 0.00 0.27 0.00 0.00 38.32 38.73 2k5n h ASN 23 CO 0.01 0.43 0.00 0.61 -0.37 0.00 0.00 177.43 178.11 2k5n n GLY 24 N -1.15 1.56 3.38 1.57 0.00 -1.02 -5.10 105.19 104.44 2k5n n GLY 24 Ca 0.02 -0.08 -0.22 0.00 0.00 0.00 0.00 46.02 45.74 2k5n n GLY 24 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2k5n s ASP 25 N -2.09 2.05 -0.05 1.61 -1.08 -1.26 -4.96 116.67 110.89 2k5n s ASP 25 Ca 0.00 -1.68 -0.12 0.00 -0.52 0.00 0.00 52.55 50.24 2k5n s ASP 25 Cb 0.00 0.50 -0.05 0.00 -1.46 0.00 0.00 42.92 41.91 2k5n s ASP 25 CO 0.00 -0.97 0.30 0.54 0.52 0.00 0.00 175.17 175.56 2k5n s ASN 26 N -3.46 6.64 -0.04 -0.34 6.03 -1.26 -2.85 114.94 119.66 2k5n s ASN 26 Ca 0.33 0.76 0.06 0.00 -1.03 0.00 0.00 52.86 52.98 2k5n s ASN 26 Cb 0.03 -2.18 -0.02 0.00 -3.03 0.00 0.00 41.25 36.05 2k5n s ASN 26 CO 0.20 0.36 -0.22 -0.13 -2.03 0.00 0.00 177.10 175.27 2k5n s ARG 27 N -1.04 2.32 -0.25 3.55 0.52 -0.25 -4.20 118.95 119.60 2k5n s ARG 27 Ca 0.20 -0.85 -0.25 0.00 -0.52 0.00 0.00 55.73 54.31 2k5n s ARG 27 Cb -0.15 -2.17 -0.00 0.00 0.52 0.00 0.00 34.95 33.15 2k5n s ARG 27 CO 0.09 0.54 0.85 -0.47 0.02 0.00 0.00 175.30 176.34 2k5n s TYR 28 N -0.55 3.29 0.27 -0.53 5.04 -0.95 -2.59 117.35 121.33 2k5n s TYR 28 Ca 0.08 1.13 0.09 0.00 -2.44 0.00 0.00 57.07 55.93 2k5n s TYR 28 Cb -0.11 -3.11 -0.04 0.00 0.35 0.00 0.00 41.96 39.04 2k5n s TYR 28 CO 0.00 -0.44 0.04 -0.06 -1.34 0.00 0.00 175.55 173.75 2k5n s PHE 29 N 2.92 2.77 -0.01 4.97 0.40 -0.17 -4.43 117.98 124.43 2k5n s PHE 29 Ca 0.36 -0.21 -0.02 0.00 -0.60 0.00 0.00 56.93 56.46 2k5n s PHE 29 Cb -0.15 -1.25 0.00 0.00 0.51 0.00 0.00 43.02 42.14 2k5n s PHE 29 CO 0.08 0.59 0.06 -1.58 0.70 0.00 0.00 175.22 175.07 2k5n s HIS 30 N -2.29 -0.01 0.44 0.36 2.46 -1.26 -1.97 115.29 113.01 2k5n s HIS 30 Ca 0.32 0.04 0.24 0.00 0.47 0.00 0.00 55.06 56.13 2k5n s HIS 30 Cb -0.07 -0.01 1.24 0.00 -0.13 0.00 0.00 32.58 33.61 2k5n s HIS 30 CO 0.21 -0.08 1.79 -0.24 -2.47 0.00 0.00 174.74 173.95 2k5n h VAL 31 N 4.92 0.50 0.00 0.89 3.04 -0.83 0.26 116.25 125.03 2k5n h VAL 31 Ca -0.26 -0.09 -0.01 0.00 -1.01 0.00 0.00 66.70 65.32 2k5n h VAL 31 Cb 1.21 0.21 -0.00 0.00 -2.01 0.00 0.00 31.29 30.69 2k5n h VAL 31 CO 0.46 0.05 -0.07 -0.29 -1.01 0.00 0.00 177.57 176.71 2k5n h ILE 32 N 0.27 0.59 0.00 3.17 2.10 -1.97 -1.24 117.51 120.43 2k5n h ILE 32 Ca 0.57 -0.29 -0.05 0.00 1.08 0.00 0.00 64.86 66.18 2k5n h ILE 32 Cb 1.70 1.18 -0.01 0.00 -1.09 0.00 0.00 36.82 38.61 2k5n h ILE 32 CO -0.21 0.07 -0.22 0.11 -1.08 0.00 0.00 178.15 176.82 2k5n h LYS 33 N 0.00 0.00 -5.77 2.19 6.56 -0.83 -3.45 116.57 115.27 2k5n h LYS 33 Ca -0.00 0.00 -0.59 0.00 -1.06 0.00 0.00 60.65 58.99 2k5n h LYS 33 Cb 0.18 0.00 -0.07 0.00 -0.57 0.00 0.00 32.23 31.76 2k5n h LYS 33 CO 0.01 0.22 -0.22 0.08 -2.06 0.00 0.00 179.45 177.47 2k5n s VAL 34 N -3.25 5.17 0.08 0.50 1.01 -0.47 -0.75 120.40 122.69 2k5n s VAL 34 Ca 0.04 0.78 0.01 0.00 0.00 0.00 0.00 61.98 62.81 2k5n s VAL 34 Cb 0.07 -3.71 -0.25 0.00 0.00 0.00 0.00 36.38 32.48 2k5n s VAL 34 CO 0.68 0.45 1.13 0.00 0.00 0.00 0.00 175.10 177.36 2k5n h ALA 35 N 5.90 0.24 -2.59 5.51 0.00 -0.80 -3.40 119.26 124.11 2k5n h ALA 35 Ca -0.45 -0.95 -0.60 0.00 0.00 0.00 0.00 54.91 52.90 2k5n h ALA 35 Cb 1.19 0.00 -0.41 0.00 0.00 0.00 0.00 17.79 18.58 2k5n h ALA 35 CO 0.70 1.12 -0.75 0.27 0.00 0.00 0.00 179.25 180.59 2k5n n ASN 36 N -3.43 1.86 0.22 0.00 6.94 -1.26 -4.94 115.26 114.64 2k5n n ASN 36 Ca -0.07 -2.96 0.10 0.00 -0.02 0.00 0.00 54.58 51.63 2k5n n ASN 36 Cb 1.00 -0.67 0.40 0.00 -2.36 0.00 0.00 39.78 38.14 2k5n n ASN 36 CO 0.00 0.00 0.00 1.55 -1.03 0.00 0.00 177.26 177.78 2k5n h PRO 37 N 5.07 0.00 0.00 -0.53 0.13 -1.90 -3.02 132.00 131.74 2k5n h PRO 37 Ca 0.18 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.25 2k5n h PRO 37 Cb 0.79 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.91 2k5n h PRO 37 CO 0.61 0.23 -0.32 0.22 -0.23 0.00 0.00 178.00 178.51 2k5n h ASP 38 N 0.00 0.00 -0.25 1.44 3.58 -1.97 -2.64 116.42 116.58 2k5n h ASP 38 Ca -0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2k5n h ASP 38 Cb 0.83 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.88 2k5n h ASP 38 CO 0.03 0.32 0.00 0.18 -2.88 0.00 0.00 179.24 176.89 2k5n n LEU 39 N -4.03 2.24 -4.60 2.28 4.77 -1.14 -4.85 117.00 111.66 2k5n n LEU 39 Ca -0.02 -0.96 -0.43 0.00 -0.03 0.00 0.00 56.01 54.57 2k5n n LEU 39 Cb 0.38 -0.16 -0.03 0.00 -2.33 0.00 0.00 43.42 41.28 2k5n n LEU 39 CO 0.37 0.48 1.44 -0.63 -1.33 0.00 0.00 177.39 177.72 2k5n s ILE 40 N -1.68 3.61 0.25 -0.08 1.01 -1.00 -4.83 121.20 118.48 2k5n s ILE 40 Ca 0.34 0.63 0.11 0.00 0.00 0.00 0.00 60.65 61.72 2k5n s ILE 40 Cb 0.19 -3.79 -0.05 0.00 0.01 0.00 0.00 42.46 38.82 2k5n s ILE 40 CO 0.27 -0.48 -0.15 -0.54 0.00 0.00 0.00 174.94 174.04 2k5n s LYS 41 N 5.34 1.85 0.33 2.79 -0.14 -1.26 -5.11 119.74 123.54 2k5n s LYS 41 Ca 0.74 -1.57 -0.26 0.00 -1.36 0.00 0.00 55.97 53.53 2k5n s LYS 41 Cb -0.21 -1.93 -0.10 0.00 -1.68 0.00 0.00 37.83 33.91 2k5n s LYS 41 CO 0.33 0.37 0.95 0.21 -0.76 0.00 0.00 175.35 176.45 2k5n s LYS 42 N -3.29 4.55 -0.13 1.68 2.47 -1.26 -3.18 119.74 120.57 2k5n s LYS 42 Ca 0.28 1.33 0.00 0.00 -1.56 0.00 0.00 55.97 56.02 2k5n s LYS 42 Cb -0.06 -2.76 0.00 0.00 -1.46 0.00 0.00 37.83 33.55 2k5n s LYS 42 CO 0.15 0.24 0.00 -3.47 0.16 0.00 0.00 175.35 172.43 2k5n n ASP 43 N 0.47 -4.71 -4.89 1.43 2.03 0.05 -4.98 116.55 105.94 2k5n n ASP 43 Ca 0.02 0.03 -0.29 0.00 0.52 0.00 0.00 54.79 55.07 2k5n n ASP 43 Cb 0.50 -2.32 -0.03 0.00 -0.72 0.00 0.00 41.12 38.55 2k5n n ASP 43 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2k5n s ALA 44 N -1.53 3.50 0.13 -1.67 0.00 -1.19 -4.77 121.76 116.23 2k5n s ALA 44 Ca 0.00 -0.41 -0.16 0.00 0.00 0.00 0.00 51.96 51.39 2k5n s ALA 44 Cb 0.00 -2.48 -0.07 0.00 0.00 0.00 0.00 23.12 20.57 2k5n s ALA 44 CO 0.00 0.13 0.56 0.00 0.00 0.00 0.00 175.76 176.45 2k5n s ALA 45 N -2.21 3.57 0.18 0.00 0.00 -1.26 -0.88 121.76 121.15 2k5n s ALA 45 Ca 0.47 -0.07 0.02 0.00 0.00 0.00 0.00 51.96 52.38 2k5n s ALA 45 Cb -0.11 -2.57 -0.05 0.00 0.00 0.00 0.00 23.12 20.40 2k5n s ALA 45 CO 0.31 0.43 -0.01 0.14 0.00 0.00 0.00 175.76 176.63 2k5n s VAL 46 N -1.36 0.74 0.13 0.00 -7.23 0.54 -0.33 120.40 112.90 2k5n s VAL 46 Ca 0.35 -1.99 0.07 0.00 -1.81 0.00 0.00 61.98 58.60 2k5n s VAL 46 Cb -0.16 -2.11 -0.04 0.00 0.56 0.00 0.00 36.38 34.62 2k5n s VAL 46 CO 0.19 -0.49 -0.17 -0.89 -0.31 0.00 0.00 175.10 173.44 2k5n s THR 47 N -3.61 1.55 0.18 5.32 2.01 0.11 -1.03 115.64 120.17 2k5n s THR 47 Ca 0.24 -1.72 -0.23 0.00 0.31 0.00 0.00 61.69 60.29 2k5n s THR 47 Cb 0.06 -1.60 0.07 0.00 0.01 0.00 0.00 72.50 71.04 2k5n s THR 47 CO 0.04 -0.30 1.02 0.72 -0.69 0.00 0.00 174.62 175.41 2k5n s PHE 48 N -1.85 0.04 -0.02 4.92 -0.12 -0.58 -0.53 117.98 119.84 2k5n s PHE 48 Ca 0.10 -0.42 0.02 0.00 -0.05 0.00 0.00 56.93 56.58 2k5n s PHE 48 Cb -0.07 0.69 -0.03 0.00 -0.63 0.00 0.00 43.02 42.99 2k5n s PHE 48 CO 0.04 -0.92 -0.06 -1.21 -0.05 0.00 0.00 175.22 173.02 2k5n s GLU 49 N -2.38 2.64 0.20 1.99 2.02 -0.04 -1.80 118.70 121.32 2k5n s GLU 49 Ca 0.20 -0.65 -0.22 0.00 0.02 0.00 0.00 54.97 54.31 2k5n s GLU 49 Cb -0.02 -2.55 -0.08 0.00 0.10 0.00 0.00 34.13 31.58 2k5n s GLU 49 CO 0.05 0.63 0.75 -1.25 0.02 0.00 0.00 175.26 175.45 2k5n s PRO 50 N -1.22 4.39 0.11 0.39 0.05 -1.26 -1.19 135.00 136.28 2k5n s PRO 50 Ca 0.16 1.00 -0.06 0.00 0.05 0.00 0.00 61.00 62.14 2k5n s PRO 50 Cb -0.11 -3.04 -0.02 0.00 0.05 0.00 0.00 34.50 31.38 2k5n s PRO 50 CO 0.06 0.47 0.16 -0.08 0.05 0.00 0.00 177.00 177.66 2k5n s THR 51 N -1.36 0.13 0.07 1.26 -1.32 -0.25 -4.91 115.64 109.25 2k5n s THR 51 Ca 0.40 -1.46 0.02 0.00 -1.21 0.00 0.00 61.69 59.43 2k5n s THR 51 Cb -0.19 -1.63 -0.04 0.00 -1.51 0.00 0.00 72.50 69.13 2k5n s THR 51 CO 0.23 -0.58 0.11 -0.89 -2.21 0.00 0.00 174.62 171.28 2k5n s THR 52 N -3.93 4.74 0.04 5.08 2.01 -1.26 -1.74 115.64 120.57 2k5n s THR 52 Ca 0.12 -0.64 -0.00 0.00 0.31 0.00 0.00 61.69 61.47 2k5n s THR 52 Cb 0.05 -3.28 -0.03 0.00 0.01 0.00 0.00 72.50 69.26 2k5n s THR 52 CO -0.06 0.16 -0.03 0.21 -0.69 0.00 0.00 174.62 174.21 2k5n s ASN 53 N -2.34 0.41 0.35 3.53 3.84 -0.79 -4.83 114.94 115.12 2k5n s ASN 53 Ca 0.30 -0.74 0.10 0.00 0.21 0.00 0.00 52.86 52.72 2k5n s ASN 53 Cb -0.12 0.14 0.66 0.00 -0.55 0.00 0.00 41.25 41.38 2k5n s ASN 53 CO 0.22 -0.43 1.82 -1.13 -2.79 0.00 0.00 177.10 174.78 2k5n h ASN 54 N 3.92 0.14 1.59 -4.21 -0.73 -1.99 -2.83 115.58 111.47 2k5n h ASN 54 Ca -0.33 -0.05 0.00 0.00 1.87 0.00 0.00 56.30 57.79 2k5n h ASN 54 Cb 1.18 -0.04 0.00 0.00 0.27 0.00 0.00 38.32 39.73 2k5n h ASN 54 CO 0.53 0.45 -0.22 0.11 -0.37 0.00 0.00 177.43 177.94 2k5n h LYS 55 N 0.13 0.00 0.00 6.67 1.57 -2.04 -3.49 116.57 119.41 2k5n h LYS 55 Ca 0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 2k5n h LYS 55 Cb 0.62 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.93 2k5n h LYS 55 CO 0.05 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.34 2k5n n GLY 56 N 1.19 -0.34 3.76 3.86 0.00 -1.07 -5.07 105.19 107.52 2k5n n GLY 56 Ca 0.04 -1.34 -0.40 0.00 0.00 0.00 0.00 46.02 44.32 2k5n n GLY 56 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2k5n s LEU 57 N 0.00 4.49 0.21 0.99 1.43 -1.26 -1.88 118.68 122.66 2k5n s LEU 57 Ca 0.00 2.33 0.01 0.00 -1.03 0.00 0.00 54.13 55.44 2k5n s LEU 57 Cb 0.00 -3.68 -0.05 0.00 0.03 0.00 0.00 46.19 42.49 2k5n s LEU 57 CO 0.00 -0.25 0.05 -0.94 0.23 0.00 0.00 176.35 175.44 2k5n s SER 58 N -0.87 1.13 0.10 2.29 1.04 -0.71 -2.24 113.70 114.44 2k5n s SER 58 Ca 0.46 -1.28 -0.12 0.00 0.48 0.00 0.00 55.95 55.49 2k5n s SER 58 Cb -0.33 0.15 0.02 0.00 0.10 0.00 0.00 66.02 65.96 2k5n s SER 58 CO 0.42 -0.66 0.29 0.00 0.98 0.00 0.00 173.24 174.27 2k5n s ALA 59 N -3.73 -0.56 0.30 5.32 0.00 -1.26 -1.09 121.76 120.73 2k5n s ALA 59 Ca 0.31 -0.31 0.03 0.00 0.00 0.00 0.00 51.96 51.99 2k5n s ALA 59 Cb 0.07 0.54 -0.01 0.00 0.00 0.00 0.00 23.12 23.72 2k5n s ALA 59 CO 0.09 -0.55 0.33 2.48 0.00 0.00 0.00 175.76 178.11 2k5n n TYR 60 N -0.04 -1.00 -3.69 0.00 4.11 -0.33 -4.89 117.16 111.33 2k5n n TYR 60 Ca -0.16 -2.31 -0.27 0.00 -0.00 0.00 0.00 57.90 55.16 2k5n n TYR 60 Cb 0.63 0.37 0.05 0.00 -0.00 0.00 0.00 39.34 40.38 2k5n n TYR 60 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 2k5n n ALA 61 N -0.96 -1.26 -2.59 -3.48 0.00 -1.02 -0.86 120.51 110.35 2k5n n ALA 61 Ca -0.11 0.29 -0.43 0.00 0.00 0.00 0.00 53.44 53.18 2k5n n ALA 61 Cb 0.53 -4.80 -0.02 0.00 0.00 0.00 0.00 19.45 15.16 2k5n n ALA 61 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2k5n s VAL 62 N -3.28 4.53 -0.15 0.00 1.01 0.07 -4.38 120.40 118.19 2k5n s VAL 62 Ca 0.60 1.83 -0.00 0.00 0.00 0.00 0.00 61.98 64.40 2k5n s VAL 62 Cb -0.28 -4.25 -0.01 0.00 0.00 0.00 0.00 36.38 31.83 2k5n s VAL 62 CO 0.74 -0.25 -0.13 -1.59 0.00 0.00 0.00 175.10 173.87 2k5n s LYS 63 N 3.41 3.30 0.31 2.72 0.00 0.32 -0.12 119.74 129.67 2k5n s LYS 63 Ca 0.47 -0.71 -0.27 0.00 0.00 0.00 0.00 55.97 55.46 2k5n s LYS 63 Cb -0.16 -2.66 -0.09 0.00 0.00 0.00 0.00 37.83 34.92 2k5n s LYS 63 CO 0.11 0.09 1.00 0.08 0.00 0.00 0.00 175.35 176.62 2k5n s VAL 64 N 0.66 3.92 -0.79 1.79 1.01 -1.26 -0.71 120.40 125.02 2k5n s VAL 64 Ca -0.07 1.73 -0.06 0.00 0.00 0.00 0.00 61.98 63.58 2k5n s VAL 64 Cb -0.16 -4.02 0.20 0.00 0.00 0.00 0.00 36.38 32.41 2k5n s VAL 64 CO 0.02 0.25 0.67 -0.69 0.00 0.00 0.00 175.10 175.36 2k5n s VAL 65 N -1.42 4.57 0.70 2.92 1.01 0.56 -4.92 120.40 123.81 2k5n s VAL 65 Ca 0.48 -3.12 -0.08 0.00 0.00 0.00 0.00 61.98 59.27 2k5n s VAL 65 Cb -0.24 -3.87 0.05 0.00 0.00 0.00 0.00 36.38 32.32 2k5n s VAL 65 CO 0.30 -1.00 1.02 -2.16 0.00 0.00 0.00 175.10 173.27 2k5n s PRO 66 N -0.45 2.34 0.01 2.72 0.04 -1.26 -4.34 135.00 134.05 2k5n s PRO 66 Ca 0.21 -0.11 -0.12 0.00 0.04 0.00 0.00 61.00 61.03 2k5n s PRO 66 Cb -0.13 -2.15 -0.06 0.00 0.04 0.00 0.00 34.50 32.20 2k5n s PRO 66 CO -0.07 -1.18 0.92 1.37 0.04 0.00 0.00 177.00 178.08 2k5n h LEU 67 N -0.59 -0.35 -6.00 -3.56 -0.00 -1.97 -3.46 115.31 99.37 2k5n h LEU 67 Ca -0.45 0.01 0.09 0.00 -0.00 0.00 0.00 57.88 57.54 2k5n h LEU 67 Cb 1.30 0.09 -0.21 0.00 -0.00 0.00 0.00 40.66 41.85 2k5n h LEU 67 CO 0.61 -0.20 -0.25 -0.70 -0.00 0.00 0.00 178.44 177.90 2k5n s GLU 68 N -3.46 0.50 -0.11 0.17 -6.30 -1.26 -5.14 118.70 103.09 2k5n s GLU 68 Ca -0.06 0.71 -0.04 0.00 -2.50 0.00 0.00 54.97 53.07 2k5n s GLU 68 Cb 0.01 0.37 0.06 0.00 0.00 0.00 0.00 34.13 34.57 2k5n s GLU 68 CO 0.18 -0.71 0.23 -1.01 0.02 0.00 0.00 175.26 173.97 2k5n s HIS 69 N 2.87 -0.35 0.52 5.30 3.76 -1.26 -5.14 115.29 120.98 2k5n s HIS 69 Ca 0.15 0.86 -0.22 0.00 -0.15 0.00 0.00 55.06 55.70 2k5n s HIS 69 Cb -0.12 -0.09 -0.06 0.00 1.11 0.00 0.00 32.58 33.43 2k5n s HIS 69 CO -0.22 -0.32 1.28 -1.58 -0.85 0.00 0.00 174.74 173.05 2k5n s HIS 70 N 2.26 2.49 0.01 1.40 2.46 -1.26 -4.89 115.29 117.76 2k5n s HIS 70 Ca 0.01 1.44 -0.30 0.00 0.47 0.00 0.00 55.06 56.67 2k5n s HIS 70 Cb -0.12 -3.64 -0.08 0.00 -0.13 0.00 0.00 32.58 28.61 2k5n s HIS 70 CO -0.08 -2.40 1.98 -1.58 -2.47 0.00 0.00 174.74 170.19 2k5n s HIS 71 N -1.40 1.30 0.20 3.88 2.46 -1.26 -4.93 115.29 115.54 2k5n s HIS 71 Ca 0.69 -0.35 -0.30 0.00 0.47 0.00 0.00 55.06 55.58 2k5n s HIS 71 Cb -0.36 -4.21 -0.08 0.00 -0.13 0.00 0.00 32.58 27.80 2k5n s HIS 71 CO 0.42 -5.37 1.13 -1.01 -2.47 0.00 0.00 174.74 167.44 2k5n s HIS 72 N 4.79 3.55 0.13 3.88 3.76 -1.26 -4.93 115.29 125.20 2k5n s HIS 72 Ca 0.89 1.57 -0.12 0.00 -0.15 0.00 0.00 55.06 57.25 2k5n s HIS 72 Cb -0.41 -3.32 -0.05 0.00 1.11 0.00 0.00 32.58 29.91 2k5n s HIS 72 CO 0.40 -0.75 1.46 0.45 -0.85 0.00 0.00 174.74 175.45 2k5n h HIS 73 N 4.88 1.06 0.00 1.40 3.86 -2.05 -3.52 115.15 120.78 2k5n h HIS 73 Ca -0.45 -0.32 0.00 0.00 -1.16 0.00 0.00 60.37 58.44 2k5n h HIS 73 Cb 1.21 -0.22 0.00 0.00 1.06 0.00 0.00 27.41 29.46 2k5n h HIS 73 CO 0.62 1.13 0.00 1.58 0.86 0.00 0.00 177.93 182.11