#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 3.41 0.13 -5.12 0.00 -1.26 -4.18 121.76 114.74 2k5n s ALA 2 Ca 0.00 -0.43 0.09 0.00 0.00 0.00 0.00 51.96 51.62 2k5n s ALA 2 Cb 0.00 -3.55 -0.04 0.00 0.00 0.00 0.00 23.12 19.53 2k5n s ALA 2 CO 0.00 -1.61 -0.17 -1.64 0.00 0.00 0.00 175.76 172.34 2k5n s MET 3 N 3.50 1.81 0.03 0.00 1.00 -0.94 -4.93 119.30 119.76 2k5n s MET 3 Ca 0.39 -1.20 0.01 0.00 0.00 0.00 0.00 55.69 54.89 2k5n s MET 3 Cb -0.12 -2.11 -0.04 0.00 0.00 0.00 0.00 34.83 32.56 2k5n s MET 3 CO 0.19 0.47 0.06 0.54 0.00 0.00 0.00 175.02 176.28 2k5n s ASN 4 N -2.24 5.50 0.07 3.03 4.22 -1.26 -2.08 114.94 122.17 2k5n s ASN 4 Ca 0.19 0.05 -0.01 0.00 -2.14 0.00 0.00 52.86 50.95 2k5n s ASN 4 Cb -0.10 -1.51 -0.04 0.00 1.28 0.00 0.00 41.25 40.88 2k5n s ASN 4 CO 0.11 0.23 -0.00 -0.83 -2.04 0.00 0.00 177.10 174.57 2k5n s GLY 5 N -1.97 0.55 -0.10 0.45 0.00 0.27 -2.18 107.32 104.34 2k5n s GLY 5 Ca 0.25 -1.23 -0.03 0.00 0.00 0.00 0.00 44.72 43.70 2k5n s GLY 5 CO 0.16 -1.31 0.03 -1.59 0.00 0.00 0.00 173.10 170.40 2k5n s THR 6 N -3.94 4.53 -0.60 0.90 2.01 -0.02 -0.17 115.64 118.35 2k5n s THR 6 Ca 0.10 -0.16 -0.28 0.00 0.31 0.00 0.00 61.69 61.66 2k5n s THR 6 Cb 0.08 -2.94 0.03 0.00 0.01 0.00 0.00 72.50 69.68 2k5n s THR 6 CO -0.08 0.59 1.22 -0.63 -0.69 0.00 0.00 174.62 175.03 2k5n s ILE 7 N -0.71 3.96 -0.16 1.82 1.01 0.09 -1.61 121.20 125.61 2k5n s ILE 7 Ca 0.11 0.82 -0.09 0.00 0.00 0.00 0.00 60.65 61.49 2k5n s ILE 7 Cb -0.12 -4.73 -0.07 0.00 0.01 0.00 0.00 42.46 37.55 2k5n s ILE 7 CO 0.02 -1.40 -0.22 0.35 0.00 0.00 0.00 174.94 173.69 2k5n n THR 8 N 6.65 1.04 -3.60 2.92 -2.24 -1.19 -2.13 114.28 115.74 2k5n n THR 8 Ca 0.08 -0.15 -0.38 0.00 -2.27 0.00 0.00 64.05 61.33 2k5n n THR 8 Cb 0.49 -1.80 -0.11 0.00 -2.10 0.00 0.00 70.33 66.81 2k5n n THR 8 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2k5n s THR 9 N -2.37 5.17 -0.22 4.28 2.01 -0.80 -4.92 115.64 118.79 2k5n s THR 9 Ca -0.23 0.03 -0.04 0.00 0.31 0.00 0.00 61.69 61.76 2k5n s THR 9 Cb 0.08 -3.51 0.12 0.00 0.01 0.00 0.00 72.50 69.20 2k5n s THR 9 CO 0.30 0.20 0.38 0.86 -0.69 0.00 0.00 174.62 175.66 2k5n s TRP 10 N 1.73 -0.77 -0.88 4.92 -0.00 -1.26 0.56 118.94 123.24 2k5n s TRP 10 Ca 0.07 1.01 -0.06 0.00 -0.00 0.00 0.00 56.10 57.11 2k5n s TRP 10 Cb -0.16 0.08 0.22 0.00 -0.00 0.00 0.00 33.47 33.61 2k5n s TRP 10 CO 0.10 -0.63 0.79 -0.06 -0.00 0.00 0.00 176.95 177.15 2k5n s PHE 11 N 2.55 3.86 0.50 5.86 0.08 0.20 -4.89 117.98 126.14 2k5n s PHE 11 Ca 0.08 -2.67 0.15 0.00 0.12 0.00 0.00 56.93 54.60 2k5n s PHE 11 Cb -0.14 -3.49 1.20 0.00 -0.57 0.00 0.00 43.02 40.01 2k5n s PHE 11 CO -0.14 -0.86 2.13 -0.22 -0.10 0.00 0.00 175.22 176.02 2k5n h LYS 12 N 6.74 0.10 0.00 0.44 3.11 -1.95 0.56 116.57 125.56 2k5n h LYS 12 Ca 0.12 -0.01 -0.04 0.00 -2.81 0.00 0.00 60.65 57.91 2k5n h LYS 12 Cb 0.90 -0.02 -0.01 0.00 -1.00 0.00 0.00 32.23 32.11 2k5n h LYS 12 CO 0.84 0.07 -0.18 0.22 -2.81 0.00 0.00 179.45 177.59 2k5n h ASP 13 N 0.10 0.00 0.00 4.20 3.58 -1.93 -3.12 116.42 119.25 2k5n h ASP 13 Ca 0.04 0.00 -0.29 0.00 0.42 0.00 0.00 57.03 57.20 2k5n h ASP 13 Cb 0.02 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 41.02 2k5n h ASP 13 CO -0.01 0.18 -2.09 0.29 -2.88 0.00 0.00 179.24 174.73 2k5n n LYS 14 N -3.55 1.31 0.00 0.28 4.01 -0.11 -5.02 118.16 115.08 2k5n n LYS 14 Ca -0.01 0.01 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 2k5n n LYS 14 Cb 0.32 -1.41 0.00 0.00 -0.51 0.00 0.00 35.03 33.44 2k5n n LYS 14 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2k5n n GLY 15 N 2.08 1.01 3.25 0.72 0.00 0.18 -5.02 105.19 107.41 2k5n n GLY 15 Ca -0.27 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.59 2k5n n GLY 15 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2k5n s PHE 16 N -2.00 1.45 -0.95 1.61 -0.71 -1.15 -0.36 117.98 115.86 2k5n s PHE 16 Ca 0.00 -1.49 0.00 0.00 -1.04 0.00 0.00 56.93 54.40 2k5n s PHE 16 Cb 0.00 -0.66 0.00 0.00 -1.21 0.00 0.00 43.02 41.15 2k5n s PHE 16 CO 0.00 -0.71 0.00 0.41 -1.34 0.00 0.00 175.22 173.58 2k5n n GLY 17 N -0.45 -0.73 2.81 1.99 0.00 -0.55 -0.62 105.19 107.64 2k5n n GLY 17 Ca 0.04 -0.74 -0.15 0.00 0.00 0.00 0.00 46.02 45.17 2k5n n GLY 17 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2k5n s PHE 18 N -3.00 0.15 -0.17 1.61 0.08 0.19 -0.94 117.98 115.90 2k5n s PHE 18 Ca 0.00 0.06 0.01 0.00 0.12 0.00 0.00 56.93 57.12 2k5n s PHE 18 Cb 0.00 -0.27 0.01 0.00 -0.57 0.00 0.00 43.02 42.19 2k5n s PHE 18 CO 0.00 -0.09 -0.19 0.42 -0.10 0.00 0.00 175.22 175.26 2k5n s ILE 19 N 0.86 2.21 -0.40 0.64 1.01 -1.17 -1.91 121.20 122.44 2k5n s ILE 19 Ca -0.08 -0.91 -0.22 0.00 0.00 0.00 0.00 60.65 59.45 2k5n s ILE 19 Cb -0.11 -1.92 0.01 0.00 0.01 0.00 0.00 42.46 40.45 2k5n s ILE 19 CO -0.02 0.53 0.72 -0.54 0.00 0.00 0.00 174.94 175.63 2k5n s LYS 20 N 1.11 3.57 0.01 2.79 -0.14 -0.63 -3.45 119.74 122.99 2k5n s LYS 20 Ca 0.00 0.02 0.00 0.00 -1.36 0.00 0.00 55.97 54.63 2k5n s LYS 20 Cb -0.14 -3.87 0.00 0.00 -1.68 0.00 0.00 37.83 32.15 2k5n s LYS 20 CO -0.08 -0.92 0.02 -0.40 -0.76 0.00 0.00 175.35 173.21 2k5n n ASP 21 N 6.37 0.03 0.12 2.83 5.75 -1.23 -0.84 116.55 129.58 2k5n n ASP 21 Ca 0.01 -1.02 0.04 0.00 -0.01 0.00 0.00 54.79 53.80 2k5n n ASP 21 Cb 0.48 -0.01 0.45 0.00 -1.03 0.00 0.00 41.12 41.01 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 0.26 -0.08 0.11 5.08 -1.81 -2.10 114.58 116.04 2k5n h GLU 22 Ca -0.01 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.28 2k5n h GLU 22 Cb 0.02 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 2k5n h GLU 22 CO 0.01 0.29 -0.14 -0.97 -1.00 0.00 0.00 179.01 177.20 2k5n h ASN 23 N 0.26 0.12 0.00 1.42 -0.73 -1.94 -3.46 115.58 111.25 2k5n h ASN 23 Ca 0.06 -0.02 0.00 0.00 1.87 0.00 0.00 56.30 58.21 2k5n h ASN 23 Cb 0.19 -0.03 0.00 0.00 0.27 0.00 0.00 38.32 38.75 2k5n h ASN 23 CO 0.00 0.28 0.00 0.61 -0.37 0.00 0.00 177.43 177.95 2k5n n GLY 24 N -0.98 0.99 3.85 1.57 0.00 -0.79 -5.09 105.19 104.74 2k5n n GLY 24 Ca -0.01 -0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.00 5.03 -0.29 1.61 2.15 -1.26 -4.94 116.67 116.97 2k5n s ASP 25 Ca 0.00 -0.71 -0.07 0.00 0.43 0.00 0.00 52.55 52.20 2k5n s ASP 25 Cb 0.00 -0.69 -0.00 0.00 -0.30 0.00 0.00 42.92 41.93 2k5n s ASP 25 CO 0.00 -0.53 0.09 0.54 -0.17 0.00 0.00 175.17 175.10 2k5n s ASN 26 N -4.05 5.19 -0.09 -0.34 4.22 -1.26 -3.55 114.94 115.06 2k5n s ASN 26 Ca 0.45 -0.56 -0.06 0.00 -2.14 0.00 0.00 52.86 50.54 2k5n s ASN 26 Cb -0.03 -1.91 -0.04 0.00 1.28 0.00 0.00 41.25 40.55 2k5n s ASN 26 CO 0.27 -0.16 0.14 -0.13 -2.04 0.00 0.00 177.10 175.18 2k5n s ARG 27 N 1.55 3.41 -0.39 3.55 0.52 -1.22 -4.64 118.95 121.72 2k5n s ARG 27 Ca 0.04 -0.19 -0.29 0.00 -0.52 0.00 0.00 55.73 54.77 2k5n s ARG 27 Cb -0.17 -3.14 0.02 0.00 0.52 0.00 0.00 34.95 32.18 2k5n s ARG 27 CO 0.03 0.75 1.10 -0.47 0.02 0.00 0.00 175.30 176.74 2k5n s TYR 28 N -1.09 3.01 0.14 -0.53 5.04 -0.94 -3.04 117.35 119.94 2k5n s TYR 28 Ca 0.18 0.99 0.05 0.00 -2.44 0.00 0.00 57.07 55.84 2k5n s TYR 28 Cb -0.12 -4.01 -0.04 0.00 0.35 0.00 0.00 41.96 38.14 2k5n s TYR 28 CO 0.07 -0.98 0.12 -0.06 -1.34 0.00 0.00 175.55 173.36 2k5n s PHE 29 N 4.00 3.16 -0.10 4.97 0.40 -0.12 -4.47 117.98 125.82 2k5n s PHE 29 Ca 0.46 0.01 -0.10 0.00 -0.60 0.00 0.00 56.93 56.70 2k5n s PHE 29 Cb -0.10 -1.54 0.03 0.00 0.51 0.00 0.00 43.02 41.92 2k5n s PHE 29 CO 0.22 0.52 0.28 -1.58 0.70 0.00 0.00 175.22 175.36 2k5n s HIS 30 N -1.66 -0.29 0.45 0.36 2.46 -1.26 -1.48 115.29 113.87 2k5n s HIS 30 Ca 0.30 0.71 0.25 0.00 0.47 0.00 0.00 55.06 56.79 2k5n s HIS 30 Cb -0.11 0.10 1.34 0.00 -0.13 0.00 0.00 32.58 33.78 2k5n s HIS 30 CO 0.23 -0.16 1.73 -0.24 -2.47 0.00 0.00 174.74 173.82 2k5n h VAL 31 N 4.65 0.00 -1.00 0.89 3.04 -1.08 -1.83 116.25 120.92 2k5n h VAL 31 Ca -0.26 0.00 0.07 0.00 -1.01 0.00 0.00 66.70 65.49 2k5n h VAL 31 Cb 1.19 0.55 -0.07 0.00 -2.01 0.00 0.00 31.29 30.95 2k5n h VAL 31 CO 0.34 0.00 0.65 -0.29 -1.01 0.00 0.00 177.57 177.25 2k5n h ILE 32 N 0.00 1.09 -0.16 3.17 6.09 -1.96 -1.77 117.51 123.96 2k5n h ILE 32 Ca 0.00 -0.40 0.00 0.00 -1.37 0.00 0.00 64.86 63.09 2k5n h ILE 32 Cb 0.64 -0.19 0.00 0.00 0.47 0.00 0.00 36.82 37.74 2k5n h ILE 32 CO 0.00 0.21 0.00 0.29 -3.07 0.00 0.00 178.15 175.58 2k5n n LYS 33 N -4.50 1.88 -3.69 2.19 4.76 -0.69 -4.84 118.16 113.27 2k5n n LYS 33 Ca 0.15 -1.31 -0.36 0.00 -2.87 0.00 0.00 58.31 53.92 2k5n n LYS 33 Cb 0.19 -1.43 -0.09 0.00 -1.84 0.00 0.00 35.03 31.85 2k5n n LYS 33 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2k5n s VAL 34 N -1.80 5.35 0.00 -0.18 1.01 -0.67 -0.98 120.40 123.14 2k5n s VAL 34 Ca 0.34 0.18 0.10 0.00 0.00 0.00 0.00 61.98 62.60 2k5n s VAL 34 Cb 0.19 -3.48 -0.23 0.00 0.00 0.00 0.00 36.38 32.87 2k5n s VAL 34 CO 0.29 0.38 0.84 0.00 0.00 0.00 0.00 175.10 176.61 2k5n h ALA 35 N 7.21 0.64 -3.19 5.51 0.00 -1.75 -3.42 119.26 124.25 2k5n h ALA 35 Ca -0.39 -1.30 -0.63 0.00 0.00 0.00 0.00 54.91 52.59 2k5n h ALA 35 Cb 1.16 0.31 -0.41 0.00 0.00 0.00 0.00 17.79 18.85 2k5n h ALA 35 CO 0.69 1.48 -0.62 0.54 0.00 0.00 0.00 179.25 181.34 2k5n s ASN 36 N -6.31 4.42 0.42 0.00 4.22 -1.26 -4.94 114.94 111.49 2k5n s ASN 36 Ca -0.03 -3.37 0.24 0.00 -2.14 0.00 0.00 52.86 47.55 2k5n s ASN 36 Cb 0.08 -1.57 0.41 0.00 1.28 0.00 0.00 41.25 41.46 2k5n s ASN 36 CO 0.82 -0.16 1.63 1.55 -2.04 0.00 0.00 177.10 178.90 2k5n h PRO 37 N 5.99 0.00 0.00 3.55 0.13 -1.95 -3.20 132.00 136.52 2k5n h PRO 37 Ca 0.04 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 65.08 2k5n h PRO 37 Cb 0.83 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.95 2k5n h PRO 37 CO 0.68 0.00 -0.55 0.22 -0.23 0.00 0.00 178.00 178.12 2k5n h ASP 38 N 0.00 0.00 0.55 1.44 3.58 -1.99 -3.13 116.42 116.87 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 0.96 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.01 2k5n h ASP 38 CO 0.00 0.40 -0.29 0.18 -2.88 0.00 0.00 179.24 176.64 2k5n n LEU 39 N -3.13 0.45 -4.59 2.28 4.77 -1.21 -4.77 117.00 110.80 2k5n n LEU 39 Ca 0.01 0.08 -0.42 0.00 -0.03 0.00 0.00 56.01 55.65 2k5n n LEU 39 Cb 0.70 -0.28 -0.03 0.00 -2.33 0.00 0.00 43.42 41.49 2k5n n LEU 39 CO 0.40 0.10 1.68 -0.63 -1.33 0.00 0.00 177.39 177.61 2k5n s ILE 40 N -2.85 3.28 0.24 -0.08 1.01 -1.19 -4.73 121.20 116.88 2k5n s ILE 40 Ca 0.16 0.27 0.10 0.00 0.00 0.00 0.00 60.65 61.18 2k5n s ILE 40 Cb 0.18 -3.44 -0.04 0.00 0.01 0.00 0.00 42.46 39.17 2k5n s ILE 40 CO 0.60 -0.31 -0.10 -0.54 0.00 0.00 0.00 174.94 174.59 2k5n s LYS 41 N 6.29 2.01 0.21 2.79 -0.14 -1.26 -5.07 119.74 124.56 2k5n s LYS 41 Ca 0.86 -1.46 -0.30 0.00 -1.36 0.00 0.00 55.97 53.71 2k5n s LYS 41 Cb -0.24 -2.04 -0.08 0.00 -1.68 0.00 0.00 37.83 33.79 2k5n s LYS 41 CO 0.32 0.38 1.21 0.21 -0.76 0.00 0.00 175.35 176.71 2k5n s LYS 42 N -3.28 4.48 0.00 1.68 2.47 -1.26 -2.59 119.74 121.24 2k5n s LYS 42 Ca 0.28 1.92 0.00 0.00 -1.56 0.00 0.00 55.97 56.61 2k5n s LYS 42 Cb -0.07 -3.21 0.00 0.00 -1.46 0.00 0.00 37.83 33.09 2k5n s LYS 42 CO 0.16 -0.09 0.00 -3.47 0.16 0.00 0.00 175.35 172.11 2k5n n ASP 43 N 2.27 -4.16 -4.90 1.43 2.03 -0.91 -4.76 116.55 107.54 2k5n n ASP 43 Ca 0.04 0.00 -0.28 0.00 0.52 0.00 0.00 54.79 55.06 2k5n n ASP 43 Cb 0.44 -1.86 0.06 0.00 -0.72 0.00 0.00 41.12 39.04 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 -1.59 2.96 0.01 -1.67 0.00 -1.07 -4.72 121.76 115.69 2k5n s ALA 44 Ca 0.00 -0.60 0.03 0.00 0.00 0.00 0.00 51.96 51.39 2k5n s ALA 44 Cb 0.00 -2.84 -0.04 0.00 0.00 0.00 0.00 23.12 20.24 2k5n s ALA 44 CO 0.00 -1.24 -0.03 0.00 0.00 0.00 0.00 175.76 174.50 2k5n s ALA 45 N -3.32 3.18 0.16 0.00 0.00 -1.26 -0.73 121.76 119.79 2k5n s ALA 45 Ca 0.59 -1.00 0.05 0.00 0.00 0.00 0.00 51.96 51.59 2k5n s ALA 45 Cb -0.11 -1.24 -0.05 0.00 0.00 0.00 0.00 23.12 21.73 2k5n s ALA 45 CO 0.48 0.64 -0.10 0.14 0.00 0.00 0.00 175.76 176.93 2k5n s VAL 46 N -1.08 1.19 0.16 0.00 -7.23 0.77 -0.38 120.40 113.82 2k5n s VAL 46 Ca 0.19 -2.07 0.11 0.00 -1.81 0.00 0.00 61.98 58.40 2k5n s VAL 46 Cb -0.11 -1.90 -0.04 0.00 0.56 0.00 0.00 36.38 34.88 2k5n s VAL 46 CO 0.10 -0.70 -0.25 -0.89 -0.31 0.00 0.00 175.10 173.05 2k5n s THR 47 N -3.32 2.35 0.17 5.32 2.01 0.12 -0.57 115.64 121.72 2k5n s THR 47 Ca 0.18 -1.86 -0.24 0.00 0.31 0.00 0.00 61.69 60.08 2k5n s THR 47 Cb 0.03 -2.08 0.07 0.00 0.01 0.00 0.00 72.50 70.53 2k5n s THR 47 CO 0.02 -0.00 0.99 0.72 -0.69 0.00 0.00 174.62 175.65 2k5n s PHE 48 N -1.33 -0.04 -0.08 4.92 -0.12 -0.88 -1.03 117.98 119.41 2k5n s PHE 48 Ca 0.17 -0.31 -0.03 0.00 -0.05 0.00 0.00 56.93 56.71 2k5n s PHE 48 Cb -0.09 0.67 -0.04 0.00 -0.63 0.00 0.00 43.02 42.93 2k5n s PHE 48 CO 0.08 -0.89 0.05 -1.21 -0.05 0.00 0.00 175.22 173.19 2k5n s GLU 49 N -2.82 3.09 0.07 1.99 0.41 -0.13 -2.22 118.70 119.09 2k5n s GLU 49 Ca 0.16 -0.37 -0.13 0.00 -0.41 0.00 0.00 54.97 54.22 2k5n s GLU 49 Cb -0.02 -2.89 -0.06 0.00 -1.78 0.00 0.00 34.13 29.38 2k5n s GLU 49 CO 0.04 0.71 0.45 -1.25 -0.49 0.00 0.00 175.26 174.71 2k5n s PRO 50 N -1.09 3.88 -0.01 0.39 0.04 -1.26 -0.89 135.00 136.06 2k5n s PRO 50 Ca 0.16 0.35 -0.18 0.00 0.04 0.00 0.00 61.00 61.36 2k5n s PRO 50 Cb -0.12 -3.06 0.03 0.00 0.04 0.00 0.00 34.50 31.40 2k5n s PRO 50 CO 0.05 0.58 0.39 -0.08 0.04 0.00 0.00 177.00 177.98 2k5n s THR 51 N -1.31 0.05 0.34 1.26 -1.32 -0.14 -4.93 115.64 109.60 2k5n s THR 51 Ca 0.31 -0.40 -0.05 0.00 -1.21 0.00 0.00 61.69 60.34 2k5n s THR 51 Cb -0.15 -0.76 -0.05 0.00 -1.51 0.00 0.00 72.50 70.03 2k5n s THR 51 CO 0.17 -0.22 0.62 -0.89 -2.21 0.00 0.00 174.62 172.09 2k5n s THR 52 N -1.56 4.98 0.29 5.08 2.01 -1.26 -0.49 115.64 124.69 2k5n s THR 52 Ca -0.11 0.09 0.03 0.00 0.31 0.00 0.00 61.69 62.00 2k5n s THR 52 Cb -0.03 -3.77 -0.04 0.00 0.01 0.00 0.00 72.50 68.67 2k5n s THR 52 CO 0.04 -0.47 0.16 0.21 -0.69 0.00 0.00 174.62 173.86 2k5n s ASN 53 N -3.44 1.41 0.55 3.53 3.84 0.77 -4.81 114.94 116.79 2k5n s ASN 53 Ca 0.45 -1.54 0.33 0.00 0.21 0.00 0.00 52.86 52.31 2k5n s ASN 53 Cb -0.10 0.37 1.33 0.00 -0.55 0.00 0.00 41.25 42.30 2k5n s ASN 53 CO 0.33 -0.88 1.97 0.78 -2.79 0.00 0.00 177.10 176.52 2k5n h ASN 54 N 2.25 0.00 -0.28 -4.21 2.35 -1.99 -3.02 115.58 110.69 2k5n h ASN 54 Ca -0.34 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.41 2k5n h ASN 54 Cb 1.25 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.62 2k5n h ASN 54 CO 0.52 0.01 0.00 2.29 -1.65 0.00 0.00 177.43 178.60 2k5n n LYS 55 N -3.10 2.84 0.00 0.81 2.85 -1.26 -5.08 118.16 115.21 2k5n n LYS 55 Ca 0.01 -2.28 0.00 0.00 -1.05 0.00 0.00 58.31 54.98 2k5n n LYS 55 Cb 0.32 -1.44 0.00 0.00 -0.65 0.00 0.00 35.03 33.25 2k5n n LYS 55 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2k5n n GLY 56 N 0.02 0.69 3.84 2.58 0.00 -1.14 -5.01 105.19 106.16 2k5n n GLY 56 Ca 0.14 -1.94 -0.34 0.00 0.00 0.00 0.00 46.02 43.88 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 4.16 0.21 0.99 1.43 -1.26 -0.16 118.68 124.04 2k5n s LEU 57 Ca 0.00 1.29 -0.06 0.00 -1.03 0.00 0.00 54.13 54.33 2k5n s LEU 57 Cb 0.00 -3.89 -0.02 0.00 0.03 0.00 0.00 46.19 42.31 2k5n s LEU 57 CO 0.00 -0.12 0.28 -0.94 0.23 0.00 0.00 176.35 175.80 2k5n s SER 58 N -2.08 0.05 0.03 2.29 1.04 0.35 -2.21 113.70 113.18 2k5n s SER 58 Ca 0.50 -1.14 -0.06 0.00 0.48 0.00 0.00 55.95 55.73 2k5n s SER 58 Cb -0.12 0.46 -0.01 0.00 0.10 0.00 0.00 66.02 66.45 2k5n s SER 58 CO 0.19 -0.96 0.11 0.00 0.98 0.00 0.00 173.24 173.56 2k5n s ALA 59 N -4.08 -0.13 0.34 5.32 0.00 -1.26 -0.96 121.76 120.98 2k5n s ALA 59 Ca 0.29 -0.48 0.05 0.00 0.00 0.00 0.00 51.96 51.82 2k5n s ALA 59 Cb 0.04 0.24 -0.03 0.00 0.00 0.00 0.00 23.12 23.37 2k5n s ALA 59 CO 0.09 -0.31 0.20 1.52 0.00 0.00 0.00 175.76 177.25 2k5n s TYR 60 N -2.49 1.68 -1.47 0.00 1.13 -0.07 -4.86 117.35 111.28 2k5n s TYR 60 Ca -0.06 -1.47 -0.11 0.00 -1.41 0.00 0.00 57.07 54.03 2k5n s TYR 60 Cb -0.02 -0.86 0.06 0.00 -1.10 0.00 0.00 41.96 40.04 2k5n s TYR 60 CO -0.04 -0.61 0.95 0.00 -2.51 0.00 0.00 175.55 173.34 2k5n n ALA 61 N -0.67 -1.43 -2.37 9.51 0.00 -1.23 -0.96 120.51 123.37 2k5n n ALA 61 Ca 0.02 0.15 -0.43 0.00 0.00 0.00 0.00 53.44 53.18 2k5n n ALA 61 Cb 0.64 -4.10 -0.02 0.00 0.00 0.00 0.00 19.45 15.96 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 -3.37 4.00 -0.15 0.00 1.01 -0.15 -4.45 120.40 117.29 2k5n s VAL 62 Ca 0.53 1.08 0.01 0.00 0.00 0.00 0.00 61.98 63.60 2k5n s VAL 62 Cb -0.26 -4.15 0.00 0.00 0.00 0.00 0.00 36.38 31.97 2k5n s VAL 62 CO 0.82 -0.60 -0.16 -1.59 0.00 0.00 0.00 175.10 173.57 2k5n s LYS 63 N 4.56 3.19 0.40 2.72 -2.85 -0.20 -2.39 119.74 125.17 2k5n s LYS 63 Ca 0.59 -0.76 -0.23 0.00 -1.00 0.00 0.00 55.97 54.57 2k5n s LYS 63 Cb -0.16 -2.60 -0.09 0.00 -2.06 0.00 0.00 37.83 32.92 2k5n s LYS 63 CO 0.28 0.01 1.01 0.08 0.10 0.00 0.00 175.35 176.83 2k5n s VAL 64 N 0.82 3.92 -0.79 1.79 1.01 -1.26 -0.71 120.40 125.19 2k5n s VAL 64 Ca -0.05 1.41 -0.07 0.00 0.00 0.00 0.00 61.98 63.26 2k5n s VAL 64 Cb -0.15 -3.70 0.20 0.00 0.00 0.00 0.00 36.38 32.73 2k5n s VAL 64 CO -0.00 -0.05 0.67 -0.69 0.00 0.00 0.00 175.10 175.03 2k5n s VAL 65 N -1.78 4.73 1.01 2.92 1.01 0.48 -4.88 120.40 123.90 2k5n s VAL 65 Ca 0.58 -2.96 -0.14 0.00 0.00 0.00 0.00 61.98 59.46 2k5n s VAL 65 Cb -0.19 -3.96 0.19 0.00 0.00 0.00 0.00 36.38 32.42 2k5n s VAL 65 CO 0.24 -0.99 1.13 -2.16 0.00 0.00 0.00 175.10 173.31 2k5n s PRO 66 N -0.29 0.35 0.00 2.72 0.04 -1.26 -3.95 135.00 132.61 2k5n s PRO 66 Ca 0.20 0.22 0.00 0.00 0.04 0.00 0.00 61.00 61.46 2k5n s PRO 66 Cb -0.14 -1.75 0.00 0.00 0.04 0.00 0.00 34.50 32.65 2k5n s PRO 66 CO -0.07 -2.72 0.00 1.28 0.04 0.00 0.00 177.00 175.53 2k5n n LEU 67 N -4.11 0.00 -0.03 -3.56 4.77 -1.26 -4.47 117.00 108.33 2k5n n LEU 67 Ca 0.08 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.98 2k5n n LEU 67 Cb 0.59 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.66 2k5n n LEU 67 CO 0.54 0.00 0.72 -0.08 -1.33 0.00 0.00 177.39 177.24 2k5n h GLU 68 N 0.00 -0.22 -3.19 3.23 4.22 -2.00 -3.20 114.58 113.42 2k5n h GLU 68 Ca 0.00 0.02 -0.63 0.00 0.08 0.00 0.00 59.36 58.83 2k5n h GLU 68 Cb 0.00 0.05 -0.41 0.00 0.50 0.00 0.00 28.75 28.89 2k5n h GLU 68 CO 0.00 -0.15 -0.64 -1.01 -2.18 0.00 0.00 179.01 175.03 2k5n s HIS 69 N -6.11 3.05 -0.02 0.92 3.76 -1.25 -5.07 115.29 110.57 2k5n s HIS 69 Ca -0.15 -3.09 -0.10 0.00 -0.15 0.00 0.00 55.06 51.57 2k5n s HIS 69 Cb 0.12 -2.58 -0.05 0.00 1.11 0.00 0.00 32.58 31.17 2k5n s HIS 69 CO 0.68 -0.69 0.31 -3.38 -0.85 0.00 0.00 174.74 170.81 2k5n s HIS 70 N -0.55 3.65 0.01 1.40 -3.43 -1.21 -4.51 115.29 110.64 2k5n s HIS 70 Ca 0.20 0.76 -0.03 0.00 -0.80 0.00 0.00 55.06 55.20 2k5n s HIS 70 Cb -0.18 -2.12 -0.01 0.00 -1.43 0.00 0.00 32.58 28.84 2k5n s HIS 70 CO -0.06 0.65 0.03 -1.01 -2.00 0.00 0.00 174.74 172.35 2k5n s HIS 71 N -1.15 0.17 0.15 0.38 3.76 -1.26 -5.05 115.29 112.28 2k5n s HIS 71 Ca 0.23 -0.35 0.04 0.00 -0.15 0.00 0.00 55.06 54.83 2k5n s HIS 71 Cb -0.14 -0.13 -0.04 0.00 1.11 0.00 0.00 32.58 33.37 2k5n s HIS 71 CO 0.12 -0.21 -0.07 -1.01 -0.85 0.00 0.00 174.74 172.72 2k5n s HIS 72 N -1.33 1.21 -0.43 1.40 3.76 -1.26 -4.95 115.29 113.69 2k5n s HIS 72 Ca -0.14 -0.83 -0.21 0.00 -0.15 0.00 0.00 55.06 53.72 2k5n s HIS 72 Cb -0.09 -0.65 0.02 0.00 1.11 0.00 0.00 32.58 32.98 2k5n s HIS 72 CO -0.00 -0.01 0.68 -1.01 -0.85 0.00 0.00 174.74 173.56 2k5n s HIS 73 N -3.43 3.05 -2.21 1.40 3.76 -1.26 -5.15 115.29 111.45 2k5n s HIS 73 Ca 0.17 0.06 0.30 0.00 -0.15 0.00 0.00 55.06 55.44 2k5n s HIS 73 Cb 0.04 -3.41 1.54 0.00 1.11 0.00 0.00 32.58 31.86 2k5n s HIS 73 CO 0.01 -0.88 2.02 1.58 -0.85 0.00 0.00 174.74 176.62