#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 3.46 0.41 -5.12 0.00 -1.26 -4.46 121.76 114.79 2k5n s ALA 2 Ca 0.00 0.60 0.07 0.00 0.00 0.00 0.00 51.96 52.63 2k5n s ALA 2 Cb 0.00 -3.77 -0.05 0.00 0.00 0.00 0.00 23.12 19.30 2k5n s ALA 2 CO 0.00 -1.62 0.22 -1.64 0.00 0.00 0.00 175.76 172.72 2k5n s MET 3 N 4.23 2.29 -0.06 0.00 1.00 -1.14 -4.88 119.30 120.75 2k5n s MET 3 Ca 0.68 -1.77 -0.13 0.00 0.00 0.00 0.00 55.69 54.47 2k5n s MET 3 Cb -0.27 -2.07 -0.05 0.00 0.00 0.00 0.00 34.83 32.44 2k5n s MET 3 CO 0.26 -0.12 0.35 0.54 0.00 0.00 0.00 175.02 176.05 2k5n s ASN 4 N -3.95 6.66 0.07 3.03 4.22 -1.26 -2.91 114.94 120.80 2k5n s ASN 4 Ca 0.42 0.79 0.03 0.00 -2.14 0.00 0.00 52.86 51.97 2k5n s ASN 4 Cb 0.02 -2.21 -0.03 0.00 1.28 0.00 0.00 41.25 40.31 2k5n s ASN 4 CO 0.24 0.28 -0.10 -0.83 -2.04 0.00 0.00 177.10 174.64 2k5n s GLY 5 N -0.67 0.73 -0.15 0.45 0.00 0.21 -2.78 107.32 105.10 2k5n s GLY 5 Ca 0.21 -1.00 -0.08 0.00 0.00 0.00 0.00 44.72 43.85 2k5n s GLY 5 CO 0.10 -1.06 0.13 -1.59 0.00 0.00 0.00 173.10 170.68 2k5n s THR 6 N -1.86 5.45 -0.32 0.90 2.01 0.41 -0.66 115.64 121.57 2k5n s THR 6 Ca -0.01 0.19 -0.27 0.00 0.31 0.00 0.00 61.69 61.91 2k5n s THR 6 Cb -0.07 -3.42 0.01 0.00 0.01 0.00 0.00 72.50 69.04 2k5n s THR 6 CO 0.00 0.55 0.97 -0.63 -0.69 0.00 0.00 174.62 174.82 2k5n s ILE 7 N -0.45 4.60 -0.22 1.82 1.01 -0.39 -1.33 121.20 126.25 2k5n s ILE 7 Ca 0.12 1.51 -0.12 0.00 0.00 0.00 0.00 60.65 62.16 2k5n s ILE 7 Cb -0.12 -4.33 -0.09 0.00 0.01 0.00 0.00 42.46 37.94 2k5n s ILE 7 CO 0.02 -0.42 -0.30 0.35 0.00 0.00 0.00 174.94 174.59 2k5n n THR 8 N 5.78 1.29 -5.22 2.92 -2.24 -0.97 -1.62 114.28 114.21 2k5n n THR 8 Ca 0.09 -0.25 -0.32 0.00 -2.27 0.00 0.00 64.05 61.30 2k5n n THR 8 Cb 0.47 -1.87 -0.16 0.00 -2.10 0.00 0.00 70.33 66.67 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 -2.46 2.14 -0.18 4.28 2.01 -0.75 -4.83 115.64 115.84 2k5n s THR 9 Ca -0.31 -1.03 -0.07 0.00 0.31 0.00 0.00 61.69 60.59 2k5n s THR 9 Cb 0.11 -1.79 0.08 0.00 0.01 0.00 0.00 72.50 70.91 2k5n s THR 9 CO 0.40 0.57 0.38 0.86 -0.69 0.00 0.00 174.62 176.13 2k5n s TRP 10 N -0.06 -0.67 -0.46 4.92 -0.00 -1.26 0.32 118.94 121.73 2k5n s TRP 10 Ca -0.06 1.34 0.03 0.00 -0.00 0.00 0.00 56.10 57.40 2k5n s TRP 10 Cb -0.15 0.22 0.14 0.00 -0.00 0.00 0.00 33.47 33.69 2k5n s TRP 10 CO 0.05 -0.42 0.28 -0.06 -0.00 0.00 0.00 176.95 176.80 2k5n s PHE 11 N 2.30 1.98 0.31 5.86 0.08 -0.22 -4.97 117.98 123.33 2k5n s PHE 11 Ca -0.03 -2.48 -0.00 0.00 0.12 0.00 0.00 56.93 54.54 2k5n s PHE 11 Cb -0.11 -1.80 0.51 0.00 -0.57 0.00 0.00 43.02 41.05 2k5n s PHE 11 CO -0.12 -0.76 1.96 -0.22 -0.10 0.00 0.00 175.22 175.99 2k5n h LYS 12 N 6.44 1.01 -0.41 0.44 3.64 -1.93 0.25 116.57 126.01 2k5n h LYS 12 Ca 0.05 -0.06 -0.04 0.00 -1.27 0.00 0.00 60.65 59.33 2k5n h LYS 12 Cb 0.91 -0.23 -0.02 0.00 -0.41 0.00 0.00 32.23 32.48 2k5n h LYS 12 CO 0.48 0.67 0.08 0.22 -2.27 0.00 0.00 179.45 178.63 2k5n h ASP 13 N 1.04 0.56 0.71 4.20 1.82 -1.93 -2.03 116.42 120.79 2k5n h ASP 13 Ca 0.31 -0.09 0.00 0.00 -0.39 0.00 0.00 57.03 56.86 2k5n h ASP 13 Cb -0.04 -0.15 0.00 0.00 0.68 0.00 0.00 39.33 39.83 2k5n h ASP 13 CO -0.08 0.57 -0.74 0.29 -1.61 0.00 0.00 179.24 177.68 2k5n n LYS 14 N -4.31 0.27 -0.09 0.28 5.02 -0.66 -4.96 118.16 113.71 2k5n n LYS 14 Ca 0.02 0.05 0.00 0.00 -2.02 0.00 0.00 58.31 56.37 2k5n n LYS 14 Cb 0.21 -1.65 0.00 0.00 -0.02 0.00 0.00 35.03 33.57 2k5n n LYS 14 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2k5n n GLY 15 N 1.36 0.52 3.39 0.72 0.00 0.79 -5.04 105.19 106.93 2k5n n GLY 15 Ca 0.03 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.24 1.70 0.25 1.61 -0.71 -1.01 -0.30 117.98 117.28 2k5n s PHE 16 Ca 0.00 -1.24 -0.20 0.00 -1.04 0.00 0.00 56.93 54.45 2k5n s PHE 16 Cb 0.00 -1.01 0.07 0.00 -1.21 0.00 0.00 43.02 40.86 2k5n s PHE 16 CO 0.00 -0.34 0.94 0.20 -1.34 0.00 0.00 175.22 174.69 2k5n s GLY 17 N -3.44 0.16 -0.02 1.99 0.00 -0.20 -1.05 107.32 104.76 2k5n s GLY 17 Ca 0.33 -0.43 0.00 0.00 0.00 0.00 0.00 44.72 44.63 2k5n s GLY 17 CO 0.16 1.28 0.02 -1.36 0.00 0.00 0.00 173.10 173.19 2k5n s PHE 18 N -2.36 0.15 -0.02 1.90 0.08 0.15 -0.19 117.98 117.69 2k5n s PHE 18 Ca 0.19 0.07 0.01 0.00 0.12 0.00 0.00 56.93 57.32 2k5n s PHE 18 Cb -0.03 -0.30 0.01 0.00 -0.57 0.00 0.00 43.02 42.12 2k5n s PHE 18 CO 0.07 -0.10 -0.03 0.42 -0.10 0.00 0.00 175.22 175.48 2k5n s ILE 19 N 1.03 0.29 -0.24 0.64 1.01 -1.06 -1.82 121.20 121.05 2k5n s ILE 19 Ca -0.09 -0.07 -0.04 0.00 0.00 0.00 0.00 60.65 60.45 2k5n s ILE 19 Cb -0.13 -0.30 0.01 0.00 0.01 0.00 0.00 42.46 42.04 2k5n s ILE 19 CO -0.02 0.12 -0.03 -0.75 0.00 0.00 0.00 174.94 174.26 2k5n s LYS 20 N 0.43 3.15 0.55 2.79 2.36 -0.44 -0.50 119.74 128.08 2k5n s LYS 20 Ca -0.04 -0.78 0.06 0.00 -2.55 0.00 0.00 55.97 52.66 2k5n s LYS 20 Cb -0.08 -3.05 0.07 0.00 -1.05 0.00 0.00 37.83 33.72 2k5n s LYS 20 CO -0.01 -0.30 0.76 0.16 1.55 0.00 0.00 175.35 177.51 2k5n s ASP 21 N 1.43 5.15 0.00 1.43 -4.77 -1.02 -0.44 116.67 118.45 2k5n s ASP 21 Ca 0.04 -0.55 0.24 0.00 -3.30 0.00 0.00 52.55 48.98 2k5n s ASP 21 Cb -0.15 -0.17 0.60 0.00 -1.09 0.00 0.00 42.92 42.11 2k5n s ASP 21 CO -0.03 -1.24 1.49 -0.62 0.70 0.00 0.00 175.17 175.47 2k5n n GLU 22 N -2.24 2.05 -0.10 2.11 1.02 -1.12 -4.20 120.64 118.16 2k5n n GLU 22 Ca 0.12 -1.55 -0.21 0.00 -0.02 0.00 0.00 57.16 55.51 2k5n n GLU 22 Cb 0.60 -1.46 -0.07 0.00 -0.02 0.00 0.00 31.44 30.49 2k5n n GLU 22 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 2k5n n ASN 23 N 0.83 1.39 0.00 1.62 5.15 -1.26 -4.99 115.26 117.99 2k5n n ASN 23 Ca 0.17 0.24 0.00 0.00 -0.60 0.00 0.00 54.58 54.39 2k5n n ASN 23 Cb 0.47 -0.58 0.00 0.00 -0.53 0.00 0.00 39.78 39.14 2k5n n ASN 23 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2k5n n GLY 24 N 1.77 -0.18 0.00 8.20 0.00 -1.26 -5.16 105.19 108.57 2k5n n GLY 24 Ca -0.38 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.64 2k5n n GLY 24 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2k5n n ASP 25 N -0.29 0.00 -4.67 1.61 -0.08 -1.26 -4.96 116.55 106.90 2k5n n ASP 25 Ca 0.00 -0.47 -0.42 0.00 -1.51 0.00 0.00 54.79 52.39 2k5n n ASP 25 Cb 0.00 0.00 -0.03 0.00 2.34 0.00 0.00 41.12 43.43 2k5n n ASP 25 CO 0.00 0.00 0.00 0.21 0.12 0.00 0.00 177.20 177.53 2k5n s ASN 26 N 0.60 7.05 0.17 1.67 3.84 -1.26 -2.45 114.94 124.56 2k5n s ASN 26 Ca 0.00 1.30 0.08 0.00 0.21 0.00 0.00 52.86 54.45 2k5n s ASN 26 Cb 0.00 -2.50 -0.04 0.00 -0.55 0.00 0.00 41.25 38.16 2k5n s ASN 26 CO 0.00 -0.50 -0.04 -0.13 -2.79 0.00 0.00 177.10 173.64 2k5n s ARG 27 N 2.47 2.26 -0.20 0.43 0.52 0.34 -4.61 118.95 120.17 2k5n s ARG 27 Ca 0.42 -1.14 -0.29 0.00 -0.52 0.00 0.00 55.73 54.19 2k5n s ARG 27 Cb -0.16 -2.29 0.00 0.00 0.52 0.00 0.00 34.95 33.02 2k5n s ARG 27 CO 0.11 0.46 1.03 -0.47 0.02 0.00 0.00 175.30 176.45 2k5n s TYR 28 N -1.65 3.38 0.25 -0.53 5.04 0.52 -2.55 117.35 121.81 2k5n s TYR 28 Ca 0.26 1.49 0.08 0.00 -2.44 0.00 0.00 57.07 56.47 2k5n s TYR 28 Cb -0.09 -3.24 -0.04 0.00 0.35 0.00 0.00 41.96 38.93 2k5n s TYR 28 CO 0.17 -0.42 0.07 -0.06 -1.34 0.00 0.00 175.55 173.97 2k5n s PHE 29 N 2.90 2.86 -0.04 4.97 0.40 0.74 -3.70 117.98 126.11 2k5n s PHE 29 Ca 0.45 -0.17 -0.12 0.00 -0.60 0.00 0.00 56.93 56.48 2k5n s PHE 29 Cb -0.16 -1.29 0.02 0.00 0.51 0.00 0.00 43.02 42.11 2k5n s PHE 29 CO 0.09 0.58 0.28 -1.58 0.70 0.00 0.00 175.22 175.29 2k5n s HIS 30 N -2.21 -0.19 -0.93 0.36 2.46 -1.26 -1.03 115.29 112.49 2k5n s HIS 30 Ca 0.32 0.37 0.06 0.00 0.47 0.00 0.00 55.06 56.28 2k5n s HIS 30 Cb -0.07 0.08 0.29 0.00 -0.13 0.00 0.00 32.58 32.75 2k5n s HIS 30 CO 0.22 -0.31 1.20 1.55 -2.47 0.00 0.00 174.74 174.93 2k5n n VAL 31 N 1.78 1.62 0.23 0.89 3.14 0.59 -1.22 118.33 125.35 2k5n n VAL 31 Ca -0.19 0.44 0.12 0.00 -2.96 0.00 0.00 64.34 61.74 2k5n n VAL 31 Cb 0.56 -1.36 0.14 0.00 -1.06 0.00 0.00 33.84 32.12 2k5n n VAL 31 CO 0.00 0.00 0.00 -0.29 -6.46 0.00 0.00 176.83 170.08 2k5n h ILE 32 N 0.00 0.00 -0.02 1.55 2.10 -1.96 -3.28 117.51 115.90 2k5n h ILE 32 Ca 0.00 -0.95 0.00 0.00 1.08 0.00 0.00 64.86 64.99 2k5n h ILE 32 Cb 0.08 1.81 0.00 0.00 -1.09 0.00 0.00 36.82 37.62 2k5n h ILE 32 CO 0.00 0.00 -0.29 0.29 -1.08 0.00 0.00 178.15 177.07 2k5n n LYS 33 N -2.91 1.56 -4.21 2.19 4.01 -0.36 -4.95 118.16 113.50 2k5n n LYS 33 Ca 0.03 -1.11 -0.36 0.00 -0.51 0.00 0.00 58.31 56.37 2k5n n LYS 33 Cb 0.53 -1.37 -0.08 0.00 -0.51 0.00 0.00 35.03 33.59 2k5n n LYS 33 CO 0.00 0.00 0.00 0.08 -1.11 0.00 0.00 177.40 176.37 2k5n s VAL 34 N -2.04 4.69 -0.01 -0.18 1.01 -1.22 -1.75 120.40 120.91 2k5n s VAL 34 Ca 0.18 -0.10 0.09 0.00 0.00 0.00 0.00 61.98 62.14 2k5n s VAL 34 Cb 0.16 -3.00 -0.23 0.00 0.00 0.00 0.00 36.38 33.30 2k5n s VAL 34 CO 0.42 0.60 0.78 0.00 0.00 0.00 0.00 175.10 176.90 2k5n h ALA 35 N 5.19 0.62 -2.49 5.51 0.00 -1.55 -3.41 119.26 123.14 2k5n h ALA 35 Ca -0.51 -1.32 -0.59 0.00 0.00 0.00 0.00 54.91 52.48 2k5n h ALA 35 Cb 1.20 0.37 -0.40 0.00 0.00 0.00 0.00 17.79 18.96 2k5n h ALA 35 CO 0.56 1.46 -0.85 0.27 0.00 0.00 0.00 179.25 180.69 2k5n n ASN 36 N -3.18 0.97 0.21 0.00 6.94 -1.26 -4.97 115.26 113.98 2k5n n ASN 36 Ca -0.15 -2.75 0.13 0.00 -0.02 0.00 0.00 54.58 51.79 2k5n n ASN 36 Cb 1.03 -0.63 0.34 0.00 -2.36 0.00 0.00 39.78 38.16 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 5.17 0.00 -0.01 -0.53 0.13 -1.91 -3.04 132.00 131.81 2k5n h PRO 37 Ca 0.20 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.33 2k5n h PRO 37 Cb 0.84 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.97 2k5n h PRO 37 CO 0.52 0.00 -0.03 -0.25 -0.23 0.00 0.00 178.00 178.01 2k5n n ASP 38 N -2.94 1.04 -0.84 1.44 8.00 -1.26 -2.73 116.55 119.26 2k5n n ASP 38 Ca 0.03 -1.26 0.10 0.00 0.71 0.00 0.00 54.79 54.38 2k5n n ASP 38 Cb 0.45 0.00 0.10 0.00 -0.02 0.00 0.00 41.12 41.65 2k5n n ASP 38 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2k5n n LEU 39 N -0.25 2.77 -4.59 0.64 4.77 -1.15 -4.90 117.00 114.29 2k5n n LEU 39 Ca 0.19 -1.06 -0.43 0.00 -0.03 0.00 0.00 56.01 54.68 2k5n n LEU 39 Cb 0.29 -0.03 -0.02 0.00 -2.33 0.00 0.00 43.42 41.33 2k5n n LEU 39 CO 0.18 0.49 0.99 -0.63 -1.33 0.00 0.00 177.39 177.09 2k5n s ILE 40 N -1.67 4.21 0.21 -0.08 1.01 -1.10 -4.95 121.20 118.82 2k5n s ILE 40 Ca 0.25 1.06 0.11 0.00 0.00 0.00 0.00 60.65 62.06 2k5n s ILE 40 Cb 0.17 -4.61 -0.04 0.00 0.01 0.00 0.00 42.46 37.99 2k5n s ILE 40 CO 0.26 -1.06 -0.17 -0.54 0.00 0.00 0.00 174.94 173.43 2k5n s LYS 41 N 4.44 1.78 0.31 2.79 1.02 -1.26 -5.08 119.74 123.74 2k5n s LYS 41 Ca 0.45 -1.47 -0.28 0.00 0.02 0.00 0.00 55.97 54.68 2k5n s LYS 41 Cb -0.08 -1.96 -0.09 0.00 -0.52 0.00 0.00 37.83 35.18 2k5n s LYS 41 CO 0.29 0.40 1.09 0.21 -0.92 0.00 0.00 175.35 176.42 2k5n s LYS 42 N -2.93 4.51 -0.50 1.68 2.36 -1.26 -2.81 119.74 120.79 2k5n s LYS 42 Ca 0.24 1.74 0.00 0.00 -2.55 0.00 0.00 55.97 55.40 2k5n s LYS 42 Cb -0.08 -3.02 0.00 0.00 -1.05 0.00 0.00 37.83 33.68 2k5n s LYS 42 CO 0.13 0.11 0.00 -0.25 1.55 0.00 0.00 175.35 176.89 2k5n n ASP 43 N 0.86 -3.57 -4.92 1.43 8.00 -0.64 -5.03 116.55 112.67 2k5n n ASP 43 Ca 0.00 0.12 -0.20 0.00 0.71 0.00 0.00 54.79 55.42 2k5n n ASP 43 Cb 0.46 -1.49 -0.02 0.00 -0.02 0.00 0.00 41.12 40.05 2k5n n ASP 43 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2k5n s ALA 44 N -2.17 4.07 -0.10 2.24 0.00 -1.12 -4.89 121.76 119.79 2k5n s ALA 44 Ca 0.00 -1.59 -0.02 0.00 0.00 0.00 0.00 51.96 50.34 2k5n s ALA 44 Cb 0.00 -1.40 -0.03 0.00 0.00 0.00 0.00 23.12 21.69 2k5n s ALA 44 CO 0.00 -0.05 -0.01 0.00 0.00 0.00 0.00 175.76 175.70 2k5n s ALA 45 N -2.27 3.21 0.24 0.00 0.00 -1.26 -1.26 121.76 120.43 2k5n s ALA 45 Ca 0.44 -0.81 0.05 0.00 0.00 0.00 0.00 51.96 51.64 2k5n s ALA 45 Cb -0.07 -1.49 -0.05 0.00 0.00 0.00 0.00 23.12 21.50 2k5n s ALA 45 CO 0.29 0.50 -0.05 0.14 0.00 0.00 0.00 175.76 176.64 2k5n s VAL 46 N -0.58 1.38 -0.04 0.00 -7.23 0.16 -1.50 120.40 112.60 2k5n s VAL 46 Ca 0.09 -2.09 0.05 0.00 -1.81 0.00 0.00 61.98 58.23 2k5n s VAL 46 Cb -0.12 -2.32 -0.01 0.00 0.56 0.00 0.00 36.38 34.49 2k5n s VAL 46 CO 0.02 -0.37 -0.20 0.42 -0.31 0.00 0.00 175.10 174.66 2k5n s THR 47 N -3.19 1.60 0.27 5.32 -4.23 0.24 -0.62 115.64 115.03 2k5n s THR 47 Ca 0.27 -0.83 -0.17 0.00 -1.18 0.00 0.00 61.69 59.78 2k5n s THR 47 Cb 0.04 -1.36 0.01 0.00 1.34 0.00 0.00 72.50 72.53 2k5n s THR 47 CO 0.09 0.45 0.61 0.72 -0.54 0.00 0.00 174.62 175.96 2k5n s PHE 48 N -0.17 0.07 0.01 3.99 -0.12 -1.15 -0.53 117.98 120.08 2k5n s PHE 48 Ca 0.00 -0.49 -0.14 0.00 -0.05 0.00 0.00 56.93 56.25 2k5n s PHE 48 Cb -0.11 0.47 -0.06 0.00 -0.63 0.00 0.00 43.02 42.70 2k5n s PHE 48 CO 0.01 -1.13 0.41 -1.21 -0.05 0.00 0.00 175.22 173.26 2k5n s GLU 49 N -3.95 3.90 0.07 1.99 0.41 -0.02 -2.86 118.70 118.25 2k5n s GLU 49 Ca 0.16 0.40 -0.26 0.00 -0.41 0.00 0.00 54.97 54.86 2k5n s GLU 49 Cb -0.04 -3.19 -0.06 0.00 -1.78 0.00 0.00 34.13 29.06 2k5n s GLU 49 CO 0.08 0.68 0.79 -2.14 -0.49 0.00 0.00 175.26 174.18 2k5n s PRO 50 N -1.18 4.53 0.17 0.39 0.02 -1.26 -1.74 135.00 135.93 2k5n s PRO 50 Ca 0.25 1.13 -0.02 0.00 0.02 0.00 0.00 61.00 62.38 2k5n s PRO 50 Cb -0.16 -3.35 0.01 0.00 0.02 0.00 0.00 34.50 31.02 2k5n s PRO 50 CO 0.14 0.32 0.26 -2.37 -0.33 0.00 0.00 177.00 175.02 2k5n n THR 51 N 2.62 0.00 -4.50 0.99 5.66 -0.15 -4.92 114.28 113.98 2k5n n THR 51 Ca -0.02 -0.73 -0.23 0.00 -3.05 0.00 0.00 64.05 60.01 2k5n n THR 51 Cb 0.50 0.49 -0.06 0.00 -1.55 0.00 0.00 70.33 69.71 2k5n n THR 51 CO 0.00 0.00 0.00 1.07 -3.05 0.00 0.00 175.07 173.09 2k5n n THR 52 N -0.26 0.00 -3.75 1.09 5.66 -1.26 -1.17 114.28 114.59 2k5n n THR 52 Ca -0.01 -1.98 -0.02 0.00 -3.05 0.00 0.00 64.05 59.00 2k5n n THR 52 Cb 0.27 0.58 -0.00 0.00 -1.55 0.00 0.00 70.33 69.63 2k5n n THR 52 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 2k5n n ASN 53 N -1.47 -0.12 0.06 1.09 2.85 0.19 -4.42 115.26 113.44 2k5n n ASN 53 Ca -0.10 -1.20 -0.02 0.00 -0.11 0.00 0.00 54.58 53.14 2k5n n ASN 53 Cb 0.52 0.23 -0.07 0.00 1.24 0.00 0.00 39.78 41.70 2k5n n ASN 53 CO 0.00 0.00 0.00 -1.13 -2.11 0.00 0.00 177.26 174.02 2k5n h ASN 54 N 0.20 0.00 -0.09 1.20 -0.00 -2.02 -3.35 115.58 111.52 2k5n h ASN 54 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.27 2k5n h ASN 54 Cb 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.44 2k5n h ASN 54 CO 0.04 0.72 0.00 0.29 -0.00 0.00 0.00 177.43 178.48 2k5n n LYS 55 N -3.12 1.27 -3.96 6.67 5.02 -1.26 -5.07 118.16 117.71 2k5n n LYS 55 Ca -0.05 -1.48 0.00 0.00 -2.02 0.00 0.00 58.31 54.76 2k5n n LYS 55 Cb 0.87 -1.28 0.00 0.00 -0.02 0.00 0.00 35.03 34.60 2k5n n LYS 55 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2k5n n GLY 56 N 0.78 -0.55 3.90 0.72 0.00 -1.26 -5.10 105.19 103.69 2k5n n GLY 56 Ca 0.09 -1.14 -0.28 0.00 0.00 0.00 0.00 46.02 44.70 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 3.68 0.22 0.99 1.43 -1.26 0.52 118.68 124.26 2k5n s LEU 57 Ca 0.00 0.94 -0.09 0.00 -1.03 0.00 0.00 54.13 53.95 2k5n s LEU 57 Cb 0.00 -3.87 -0.02 0.00 0.03 0.00 0.00 46.19 42.33 2k5n s LEU 57 CO 0.00 -0.53 0.34 -0.44 0.23 0.00 0.00 176.35 175.95 2k5n s SER 58 N -3.93 0.00 0.03 2.29 0.01 -0.32 -0.36 113.70 111.43 2k5n s SER 58 Ca 0.48 -1.04 0.01 0.00 1.31 0.00 0.00 55.95 56.70 2k5n s SER 58 Cb -0.10 0.50 -0.02 0.00 0.21 0.00 0.00 66.02 66.60 2k5n s SER 58 CO 0.42 -1.01 -0.05 0.00 0.41 0.00 0.00 173.24 173.01 2k5n s ALA 59 N -4.05 0.36 0.28 1.44 0.00 -1.24 -0.98 121.76 117.58 2k5n s ALA 59 Ca 0.26 -0.73 0.02 0.00 0.00 0.00 0.00 51.96 51.51 2k5n s ALA 59 Cb 0.02 0.11 -0.05 0.00 0.00 0.00 0.00 23.12 23.21 2k5n s ALA 59 CO 0.08 -0.12 0.09 1.52 0.00 0.00 0.00 175.76 177.34 2k5n s TYR 60 N -1.66 1.65 -1.38 0.00 1.13 -0.71 -4.83 117.35 111.55 2k5n s TYR 60 Ca -0.11 -1.15 -0.03 0.00 -1.41 0.00 0.00 57.07 54.37 2k5n s TYR 60 Cb -0.08 -0.99 0.02 0.00 -1.10 0.00 0.00 41.96 39.81 2k5n s TYR 60 CO -0.01 -0.28 0.71 0.00 -2.51 0.00 0.00 175.55 173.46 2k5n n ALA 61 N -0.54 -1.85 -2.62 9.51 0.00 -1.02 -0.84 120.51 123.15 2k5n n ALA 61 Ca -0.01 -0.11 -0.43 0.00 0.00 0.00 0.00 53.44 52.90 2k5n n ALA 61 Cb 0.66 -2.40 -0.02 0.00 0.00 0.00 0.00 19.45 17.69 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 -3.64 4.62 -0.11 0.00 1.01 -0.72 -4.31 120.40 117.26 2k5n s VAL 62 Ca 0.15 1.95 0.03 0.00 0.00 0.00 0.00 61.98 64.11 2k5n s VAL 62 Cb -0.08 -4.26 0.01 0.00 0.00 0.00 0.00 36.38 32.06 2k5n s VAL 62 CO 0.83 -0.15 -0.19 -0.54 0.00 0.00 0.00 175.10 175.05 2k5n s LYS 63 N 3.12 2.57 0.68 2.72 3.01 0.31 -1.35 119.74 130.80 2k5n s LYS 63 Ca 0.46 -0.70 -0.15 0.00 -1.01 0.00 0.00 55.97 54.57 2k5n s LYS 63 Cb -0.17 -2.06 0.01 0.00 -1.01 0.00 0.00 37.83 34.60 2k5n s LYS 63 CO 0.09 0.03 1.14 0.08 0.51 0.00 0.00 175.35 177.20 2k5n s VAL 64 N 0.71 2.92 -0.78 3.17 1.01 -1.26 -0.59 120.40 125.57 2k5n s VAL 64 Ca -0.12 0.44 -0.02 0.00 0.00 0.00 0.00 61.98 62.29 2k5n s VAL 64 Cb -0.16 -2.97 0.20 0.00 0.00 0.00 0.00 36.38 33.44 2k5n s VAL 64 CO 0.02 -0.25 0.64 -0.69 0.00 0.00 0.00 175.10 174.82 2k5n s VAL 65 N -2.20 4.04 0.00 2.92 1.01 -0.56 -4.78 120.40 120.84 2k5n s VAL 65 Ca 0.70 -3.55 -0.02 0.00 0.00 0.00 0.00 61.98 59.10 2k5n s VAL 65 Cb -0.23 -3.56 -0.04 0.00 0.00 0.00 0.00 36.38 32.55 2k5n s VAL 65 CO 0.42 -1.01 0.16 -2.16 0.00 0.00 0.00 175.10 172.52 2k5n s PRO 66 N -0.88 3.36 -0.82 2.72 0.04 -1.26 -4.70 135.00 133.46 2k5n s PRO 66 Ca 0.23 -0.37 -0.03 0.00 0.04 0.00 0.00 61.00 60.87 2k5n s PRO 66 Cb -0.12 -3.04 0.24 0.00 0.04 0.00 0.00 34.50 31.62 2k5n s PRO 66 CO -0.09 0.66 2.25 1.47 0.04 0.00 0.00 177.00 181.32 2k5n n LEU 67 N 0.90 7.26 -3.67 -3.56 -0.00 -1.26 -4.83 117.00 111.85 2k5n n LEU 67 Ca -0.11 -4.72 -0.13 0.00 -0.00 0.00 0.00 56.01 51.06 2k5n n LEU 67 Cb 0.52 -1.16 -0.13 0.00 -0.00 0.00 0.00 43.42 42.65 2k5n n LEU 67 CO 0.44 1.83 -0.12 -0.70 -0.00 0.00 0.00 177.39 178.84 2k5n s GLU 68 N -3.15 0.17 -0.21 1.47 2.56 -1.26 -5.14 118.70 113.15 2k5n s GLU 68 Ca 0.52 0.77 -0.18 0.00 0.00 0.00 0.00 54.97 56.08 2k5n s GLU 68 Cb 0.36 -0.00 -0.03 0.00 2.00 0.00 0.00 34.13 36.45 2k5n s GLU 68 CO -0.28 -0.28 0.51 -1.01 -0.56 0.00 0.00 175.26 173.64 2k5n s HIS 69 N 2.39 3.36 -0.57 5.30 3.76 -1.26 -5.03 115.29 123.25 2k5n s HIS 69 Ca 0.00 0.75 -0.24 0.00 -0.15 0.00 0.00 55.06 55.42 2k5n s HIS 69 Cb -0.12 -2.66 0.04 0.00 1.11 0.00 0.00 32.58 30.95 2k5n s HIS 69 CO -0.09 -0.11 0.95 -1.58 -0.85 0.00 0.00 174.74 173.06 2k5n s HIS 70 N 1.67 2.77 0.18 1.40 2.46 -1.26 -5.00 115.29 117.52 2k5n s HIS 70 Ca 0.23 -0.08 -0.33 0.00 0.47 0.00 0.00 55.06 55.36 2k5n s HIS 70 Cb -0.15 -4.10 -0.15 0.00 -0.13 0.00 0.00 32.58 28.04 2k5n s HIS 70 CO 0.09 -1.39 1.21 -2.39 -2.47 0.00 0.00 174.74 169.79 2k5n n HIS 71 N 7.51 1.45 -4.16 3.88 1.44 -1.26 -4.93 115.22 119.15 2k5n n HIS 71 Ca 0.01 0.63 -0.32 0.00 -2.01 0.00 0.00 57.72 56.03 2k5n n HIS 71 Cb 0.47 -2.31 -0.08 0.00 0.12 0.00 0.00 29.99 28.19 2k5n n HIS 71 CO 0.00 0.00 0.00 -1.01 -2.81 0.00 0.00 176.34 172.52 2k5n s HIS 72 N -0.15 3.17 0.00 -1.40 3.76 -1.26 -4.96 115.29 114.45 2k5n s HIS 72 Ca 0.73 0.12 0.00 0.00 -0.15 0.00 0.00 55.06 55.75 2k5n s HIS 72 Cb -0.82 -1.67 0.00 0.00 1.11 0.00 0.00 32.58 31.20 2k5n s HIS 72 CO 0.52 0.51 0.00 0.72 -0.85 0.00 0.00 174.74 175.63 2k5n n HIS 73 N 1.07 0.00 -0.64 1.40 8.25 -1.26 -5.34 115.22 118.70 2k5n n HIS 73 Ca -0.13 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.33 2k5n n HIS 73 Cb 0.52 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.63 2k5n n HIS 73 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56