#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 3.44 0.26 -5.12 0.00 -1.26 -4.40 121.76 114.68 2k5n s ALA 2 Ca 0.00 0.32 0.06 0.00 0.00 0.00 0.00 51.96 52.35 2k5n s ALA 2 Cb 0.00 -3.75 -0.03 0.00 0.00 0.00 0.00 23.12 19.34 2k5n s ALA 2 CO 0.00 -1.63 0.28 -1.64 0.00 0.00 0.00 175.76 172.78 2k5n s MET 3 N 4.09 3.12 0.22 0.00 1.00 -0.62 -4.82 119.30 122.29 2k5n s MET 3 Ca 0.60 -0.96 -0.06 0.00 0.00 0.00 0.00 55.69 55.27 2k5n s MET 3 Cb -0.21 -2.70 -0.06 0.00 0.00 0.00 0.00 34.83 31.87 2k5n s MET 3 CO 0.22 0.36 0.48 0.54 0.00 0.00 0.00 175.02 176.63 2k5n s ASN 4 N -3.93 6.50 0.13 3.03 2.20 -1.26 -1.73 114.94 119.88 2k5n s ASN 4 Ca 0.35 0.70 -0.13 0.00 -0.94 0.00 0.00 52.86 52.84 2k5n s ASN 4 Cb -0.08 -2.14 0.02 0.00 -2.00 0.00 0.00 41.25 37.05 2k5n s ASN 4 CO 0.27 -0.07 0.33 -0.83 -2.94 0.00 0.00 177.10 173.86 2k5n s GLY 5 N -2.72 -0.03 -0.12 0.45 0.00 0.70 -2.11 107.32 103.49 2k5n s GLY 5 Ca 0.43 -0.37 -0.01 0.00 0.00 0.00 0.00 44.72 44.78 2k5n s GLY 5 CO 0.26 -0.53 -0.08 -1.59 0.00 0.00 0.00 173.10 171.15 2k5n s THR 6 N -3.85 3.52 -0.25 0.90 2.01 0.15 -0.11 115.64 118.00 2k5n s THR 6 Ca 0.06 -0.51 -0.29 0.00 0.31 0.00 0.00 61.69 61.27 2k5n s THR 6 Cb 0.03 -2.49 -0.03 0.00 0.01 0.00 0.00 72.50 70.02 2k5n s THR 6 CO -0.09 0.53 1.80 -0.63 -0.69 0.00 0.00 174.62 175.54 2k5n s ILE 7 N 0.07 3.46 -0.25 1.82 1.01 0.10 -1.64 121.20 125.78 2k5n s ILE 7 Ca -0.03 0.50 -0.03 0.00 0.00 0.00 0.00 60.65 61.09 2k5n s ILE 7 Cb -0.14 -3.55 -0.14 0.00 0.01 0.00 0.00 42.46 38.64 2k5n s ILE 7 CO 0.03 -0.29 -0.26 0.41 0.00 0.00 0.00 174.94 174.83 2k5n n THR 8 N 7.00 1.42 -3.80 2.92 -1.04 -0.66 -1.51 114.28 118.61 2k5n n THR 8 Ca 0.22 -0.48 -0.13 0.00 -2.04 0.00 0.00 64.05 61.63 2k5n n THR 8 Cb 0.46 -1.54 -0.12 0.00 -1.82 0.00 0.00 70.33 67.30 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 -2.49 0.00 -0.04 12.58 2.01 0.49 -4.90 115.64 123.29 2k5n s THR 9 Ca -0.34 -0.03 -0.02 0.00 0.31 0.00 0.00 61.69 61.61 2k5n s THR 9 Cb 0.11 -0.31 0.03 0.00 0.01 0.00 0.00 72.50 72.33 2k5n s THR 9 CO 0.53 -0.01 0.07 0.86 -0.69 0.00 0.00 174.62 175.38 2k5n s TRP 10 N 0.05 0.01 -0.69 4.92 -0.00 -1.26 0.33 118.94 122.30 2k5n s TRP 10 Ca -0.01 0.30 -0.04 0.00 -0.00 0.00 0.00 56.10 56.36 2k5n s TRP 10 Cb -0.02 -0.39 0.18 0.00 -0.00 0.00 0.00 33.47 33.25 2k5n s TRP 10 CO 0.00 -0.18 0.54 -0.06 -0.00 0.00 0.00 176.95 177.24 2k5n s PHE 11 N 1.96 3.51 0.06 5.86 0.08 0.51 -4.98 117.98 124.97 2k5n s PHE 11 Ca 0.02 -2.67 -0.25 0.00 0.12 0.00 0.00 56.93 54.14 2k5n s PHE 11 Cb -0.12 -3.29 -0.12 0.00 -0.57 0.00 0.00 43.02 38.92 2k5n s PHE 11 CO -0.04 -0.84 1.39 -0.22 -0.10 0.00 0.00 175.22 175.41 2k5n h LYS 12 N 6.96 -0.72 -0.00 0.44 3.64 -1.94 0.25 116.57 125.21 2k5n h LYS 12 Ca 0.03 0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 2k5n h LYS 12 Cb 0.94 0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.93 2k5n h LYS 12 CO 0.74 -0.48 -0.06 -0.25 -2.27 0.00 0.00 179.45 177.13 2k5n n ASP 13 N -4.53 0.12 0.03 4.20 8.00 -1.26 -2.35 116.55 120.76 2k5n n ASP 13 Ca -0.09 0.01 -0.12 0.00 0.71 0.00 0.00 54.79 55.30 2k5n n ASP 13 Cb 0.33 -0.29 -0.14 0.00 -0.02 0.00 0.00 41.12 41.01 2k5n n ASP 13 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 2k5n h LYS 14 N 0.09 0.11 0.00 -1.24 1.63 -1.92 -3.48 116.57 111.77 2k5n h LYS 14 Ca 0.00 -0.19 0.00 0.00 -0.85 0.00 0.00 60.65 59.61 2k5n h LYS 14 Cb 0.39 0.07 0.00 0.00 -0.60 0.00 0.00 32.23 32.10 2k5n h LYS 14 CO 0.00 0.90 0.00 0.41 -3.45 0.00 0.00 179.45 177.31 2k5n n GLY 15 N 1.57 2.60 3.91 5.01 0.00 0.87 -5.05 105.19 114.10 2k5n n GLY 15 Ca -0.13 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.63 1.55 -0.03 1.61 0.08 -1.08 -0.06 117.98 117.41 2k5n s PHE 16 Ca 0.00 -0.85 -0.30 0.00 0.12 0.00 0.00 56.93 55.89 2k5n s PHE 16 Cb 0.00 -1.92 0.12 0.00 -0.57 0.00 0.00 43.02 40.65 2k5n s PHE 16 CO 0.00 -0.54 1.32 0.20 -0.10 0.00 0.00 175.22 176.10 2k5n s GLY 17 N -4.32 -0.38 -0.07 4.36 0.00 -0.74 -0.37 107.32 105.82 2k5n s GLY 17 Ca 0.35 0.62 0.02 0.00 0.00 0.00 0.00 44.72 45.70 2k5n s GLY 17 CO 0.22 1.18 -0.09 -1.36 0.00 0.00 0.00 173.10 173.04 2k5n s PHE 18 N -2.27 1.27 -0.05 1.90 0.08 0.15 -0.93 117.98 118.12 2k5n s PHE 18 Ca 0.17 -0.47 0.01 0.00 0.12 0.00 0.00 56.93 56.76 2k5n s PHE 18 Cb 0.04 -0.98 0.02 0.00 -0.57 0.00 0.00 43.02 41.53 2k5n s PHE 18 CO -0.04 -0.29 -0.06 0.42 -0.10 0.00 0.00 175.22 175.16 2k5n s ILE 19 N 0.89 0.67 -0.34 0.64 1.01 -1.04 -0.38 121.20 122.64 2k5n s ILE 19 Ca -0.11 -0.19 -0.25 0.00 0.00 0.00 0.00 60.65 60.11 2k5n s ILE 19 Cb -0.15 -0.68 0.01 0.00 0.01 0.00 0.00 42.46 41.65 2k5n s ILE 19 CO 0.01 0.26 0.87 -0.75 0.00 0.00 0.00 174.94 175.33 2k5n s LYS 20 N 0.97 3.89 0.12 2.79 2.47 -0.65 -1.38 119.74 127.94 2k5n s LYS 20 Ca -0.10 0.58 0.00 0.00 -1.56 0.00 0.00 55.97 54.89 2k5n s LYS 20 Cb -0.14 -3.77 0.02 0.00 -1.46 0.00 0.00 37.83 32.48 2k5n s LYS 20 CO 0.00 -0.83 0.17 -0.40 0.16 0.00 0.00 175.35 174.45 2k5n n ASP 21 N 6.51 0.23 0.07 1.43 5.75 -1.13 0.32 116.55 129.74 2k5n n ASP 21 Ca 0.06 -1.19 -0.19 0.00 -0.01 0.00 0.00 54.79 53.46 2k5n n ASP 21 Cb 0.48 -0.11 -0.14 0.00 -1.03 0.00 0.00 41.12 40.32 2k5n n ASP 21 CO 0.00 0.00 0.00 -0.08 -0.11 0.00 0.00 177.20 177.01 2k5n h GLU 22 N 0.00 0.30 0.03 0.11 4.81 -1.78 -3.41 114.58 114.64 2k5n h GLU 22 Ca -0.06 -0.52 -0.24 0.00 -0.13 0.00 0.00 59.36 58.41 2k5n h GLU 22 Cb 0.21 0.19 -0.03 0.00 0.63 0.00 0.00 28.75 29.75 2k5n h GLU 22 CO 0.06 1.18 -1.32 -0.97 -0.73 0.00 0.00 179.01 177.23 2k5n h ASN 23 N 0.08 0.10 0.00 1.04 -0.73 -1.96 -3.48 115.58 110.63 2k5n h ASN 23 Ca -0.26 -0.63 0.00 0.00 1.87 0.00 0.00 56.30 57.28 2k5n h ASN 23 Cb 2.04 -0.03 0.00 0.00 0.27 0.00 0.00 38.32 40.60 2k5n h ASN 23 CO 0.18 1.53 0.00 0.61 -0.37 0.00 0.00 177.43 179.38 2k5n n GLY 24 N 1.56 0.19 0.00 1.57 0.00 -1.26 -5.16 105.19 102.08 2k5n n GLY 24 Ca -0.30 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.72 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 0.00 0.00 -4.64 1.61 2.03 -1.26 -4.86 116.55 109.43 2k5n n ASP 25 Ca 0.00 0.00 -0.43 0.00 0.52 0.00 0.00 54.79 54.88 2k5n n ASP 25 Cb 0.00 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.38 2k5n n ASP 25 CO 0.00 0.00 0.00 0.20 -1.92 0.00 0.00 177.20 175.48 2k5n s ASN 26 N 2.00 6.70 0.10 1.67 -0.87 -1.26 -2.84 114.94 120.44 2k5n s ASN 26 Ca 0.00 1.33 0.01 0.00 -1.57 0.00 0.00 52.86 52.63 2k5n s ASN 26 Cb 0.00 -2.54 -0.04 0.00 -0.02 0.00 0.00 41.25 38.65 2k5n s ASN 26 CO 0.00 -1.04 0.24 -0.13 -2.57 0.00 0.00 177.10 173.61 2k5n s ARG 27 N 4.08 3.42 -0.27 -0.60 0.52 -0.48 -4.70 118.95 120.93 2k5n s ARG 27 Ca 0.57 -0.52 -0.29 0.00 -0.52 0.00 0.00 55.73 54.97 2k5n s ARG 27 Cb -0.18 -2.99 0.01 0.00 0.52 0.00 0.00 34.95 32.31 2k5n s ARG 27 CO 0.22 0.57 1.04 0.71 0.02 0.00 0.00 175.30 177.86 2k5n s TYR 28 N -1.62 3.26 0.22 -0.53 2.02 0.49 -2.51 117.35 118.68 2k5n s TYR 28 Ca 0.35 1.34 0.06 0.00 -0.37 0.00 0.00 57.07 58.45 2k5n s TYR 28 Cb -0.12 -3.43 -0.04 0.00 -0.40 0.00 0.00 41.96 37.98 2k5n s TYR 28 CO 0.28 -0.59 0.20 -0.06 -1.57 0.00 0.00 175.55 173.81 2k5n s PHE 29 N 3.36 3.17 -0.03 2.71 0.40 -0.11 -2.88 117.98 124.60 2k5n s PHE 29 Ca 0.44 -0.06 -0.01 0.00 -0.60 0.00 0.00 56.93 56.70 2k5n s PHE 29 Cb -0.14 -1.46 0.03 0.00 0.51 0.00 0.00 43.02 41.96 2k5n s PHE 29 CO 0.10 0.51 0.05 -1.58 0.70 0.00 0.00 175.22 175.01 2k5n s HIS 30 N -1.98 0.02 0.36 0.36 2.46 -1.26 -1.79 115.29 113.46 2k5n s HIS 30 Ca 0.32 0.22 0.15 0.00 0.47 0.00 0.00 55.06 56.22 2k5n s HIS 30 Cb -0.09 -0.31 1.03 0.00 -0.13 0.00 0.00 32.58 33.07 2k5n s HIS 30 CO 0.25 -0.14 1.73 -0.24 -2.47 0.00 0.00 174.74 173.87 2k5n h VAL 31 N 6.34 0.47 -0.10 0.89 3.04 -0.81 -0.91 116.25 125.16 2k5n h VAL 31 Ca -0.33 -0.15 0.01 0.00 -1.01 0.00 0.00 66.70 65.22 2k5n h VAL 31 Cb 1.12 -0.02 -0.00 0.00 -2.01 0.00 0.00 31.29 30.38 2k5n h VAL 31 CO 0.35 0.08 0.07 -0.29 -1.01 0.00 0.00 177.57 176.77 2k5n h ILE 32 N 0.45 1.01 -0.58 3.17 2.10 -1.97 -0.78 117.51 120.90 2k5n h ILE 32 Ca 0.65 -0.04 0.00 0.00 1.08 0.00 0.00 64.86 66.56 2k5n h ILE 32 Cb 1.48 0.89 0.00 0.00 -1.09 0.00 0.00 36.82 38.10 2k5n h ILE 32 CO -0.43 0.02 0.00 0.29 -1.08 0.00 0.00 178.15 176.95 2k5n n LYS 33 N -4.52 2.70 -3.59 2.19 4.76 -0.35 -4.84 118.16 114.51 2k5n n LYS 33 Ca -0.01 -2.24 -0.36 0.00 -2.87 0.00 0.00 58.31 52.83 2k5n n LYS 33 Cb 0.11 -1.58 -0.08 0.00 -1.84 0.00 0.00 35.03 31.64 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 -1.41 5.32 0.09 -0.18 1.01 -0.30 -0.75 120.40 124.19 2k5n s VAL 34 Ca 0.41 0.39 -0.12 0.00 0.00 0.00 0.00 61.98 62.66 2k5n s VAL 34 Cb 0.23 -3.58 -0.20 0.00 0.00 0.00 0.00 36.38 32.84 2k5n s VAL 34 CO 0.25 0.36 1.25 0.00 0.00 0.00 0.00 175.10 176.95 2k5n h ALA 35 N 7.10 0.23 -2.07 5.51 0.00 -1.41 -3.38 119.26 125.25 2k5n h ALA 35 Ca -0.39 -0.67 -0.57 0.00 0.00 0.00 0.00 54.91 53.28 2k5n h ALA 35 Cb 1.16 0.02 -0.40 0.00 0.00 0.00 0.00 17.79 18.57 2k5n h ALA 35 CO 0.72 0.71 -0.93 0.27 0.00 0.00 0.00 179.25 180.01 2k5n n ASN 36 N -3.86 1.45 0.21 0.00 0.23 -1.25 -4.94 115.26 107.10 2k5n n ASN 36 Ca -0.09 -2.96 0.15 0.00 -0.53 0.00 0.00 54.58 51.14 2k5n n ASN 36 Cb 0.83 -0.65 0.58 0.00 -2.08 0.00 0.00 39.78 38.46 2k5n n ASN 36 CO 0.00 0.00 0.00 1.55 -0.93 0.00 0.00 177.26 177.88 2k5n h PRO 37 N 4.02 0.00 0.00 -0.53 0.13 -1.89 -2.65 132.00 131.09 2k5n h PRO 37 Ca 0.12 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 65.15 2k5n h PRO 37 Cb 0.80 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.92 2k5n h PRO 37 CO 0.59 0.00 -0.45 0.22 -0.23 0.00 0.00 178.00 178.14 2k5n h ASP 38 N 0.00 0.00 -0.11 1.44 3.58 -1.96 -2.82 116.42 116.56 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 0.48 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.53 2k5n h ASP 38 CO 0.00 0.45 0.00 0.18 -2.88 0.00 0.00 179.24 176.99 2k5n n LEU 39 N -3.85 1.42 -4.62 2.28 4.77 -1.00 -4.80 117.00 111.21 2k5n n LEU 39 Ca -0.01 -0.56 -0.43 0.00 -0.03 0.00 0.00 56.01 54.98 2k5n n LEU 39 Cb 0.49 -0.07 -0.02 0.00 -2.33 0.00 0.00 43.42 41.49 2k5n n LEU 39 CO 0.39 0.28 1.21 -0.63 -1.33 0.00 0.00 177.39 177.31 2k5n s ILE 40 N -1.87 3.98 0.28 -0.08 1.01 -1.07 -4.93 121.20 118.54 2k5n s ILE 40 Ca 0.34 1.06 0.06 0.00 0.00 0.00 0.00 60.65 62.11 2k5n s ILE 40 Cb 0.18 -4.12 -0.06 0.00 0.01 0.00 0.00 42.46 38.47 2k5n s ILE 40 CO 0.28 -0.58 -0.03 -0.54 0.00 0.00 0.00 174.94 174.07 2k5n s LYS 41 N 4.58 1.55 0.21 2.79 -0.14 -1.26 -5.10 119.74 122.37 2k5n s LYS 41 Ca 0.60 -1.80 -0.30 0.00 -1.36 0.00 0.00 55.97 53.11 2k5n s LYS 41 Cb -0.16 -1.07 -0.09 0.00 -1.68 0.00 0.00 37.83 34.83 2k5n s LYS 41 CO 0.28 -0.01 1.29 0.21 -0.76 0.00 0.00 175.35 176.36 2k5n s LYS 42 N -3.76 4.41 -0.85 1.68 2.47 -1.26 -2.82 119.74 119.60 2k5n s LYS 42 Ca 0.30 2.03 0.00 0.00 -1.56 0.00 0.00 55.97 56.75 2k5n s LYS 42 Cb 0.05 -3.19 0.00 0.00 -1.46 0.00 0.00 37.83 33.23 2k5n s LYS 42 CO 0.12 -0.21 0.00 -3.47 0.16 0.00 0.00 175.35 171.95 2k5n n ASP 43 N 2.46 -4.47 -4.89 1.43 2.03 -0.57 -5.00 116.55 107.55 2k5n n ASP 43 Ca 0.05 0.20 -0.29 0.00 0.52 0.00 0.00 54.79 55.27 2k5n n ASP 43 Cb 0.43 -2.67 0.00 0.00 -0.72 0.00 0.00 41.12 38.16 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 -2.13 3.27 -0.08 -1.67 0.00 -1.13 -4.70 121.76 115.32 2k5n s ALA 44 Ca 0.00 -0.32 -0.10 0.00 0.00 0.00 0.00 51.96 51.54 2k5n s ALA 44 Cb 0.00 -2.81 -0.05 0.00 0.00 0.00 0.00 23.12 20.27 2k5n s ALA 44 CO 0.00 -0.50 0.25 0.00 0.00 0.00 0.00 175.76 175.51 2k5n s ALA 45 N -2.93 3.80 0.18 0.00 0.00 -1.26 -0.72 121.76 120.83 2k5n s ALA 45 Ca 0.51 -0.47 0.04 0.00 0.00 0.00 0.00 51.96 52.03 2k5n s ALA 45 Cb -0.11 -2.15 -0.05 0.00 0.00 0.00 0.00 23.12 20.82 2k5n s ALA 45 CO 0.49 0.54 -0.05 0.14 0.00 0.00 0.00 175.76 176.88 2k5n s VAL 46 N -0.96 1.04 -0.05 0.00 -7.23 0.85 -1.06 120.40 112.99 2k5n s VAL 46 Ca 0.18 -2.04 0.04 0.00 -1.81 0.00 0.00 61.98 58.35 2k5n s VAL 46 Cb -0.14 -2.08 -0.00 0.00 0.56 0.00 0.00 36.38 34.72 2k5n s VAL 46 CO 0.07 -0.55 -0.16 0.42 -0.31 0.00 0.00 175.10 174.58 2k5n s THR 47 N -3.41 1.37 0.30 5.32 -4.23 0.11 -0.22 115.64 114.87 2k5n s THR 47 Ca 0.22 -0.67 -0.07 0.00 -1.18 0.00 0.00 61.69 59.99 2k5n s THR 47 Cb 0.04 -1.19 -0.00 0.00 1.34 0.00 0.00 72.50 72.69 2k5n s THR 47 CO 0.04 0.40 0.45 0.72 -0.54 0.00 0.00 174.62 175.69 2k5n s PHE 48 N 0.14 0.78 -0.01 3.99 -0.12 -0.71 -0.32 117.98 121.74 2k5n s PHE 48 Ca -0.06 -1.08 -0.10 0.00 -0.05 0.00 0.00 56.93 55.64 2k5n s PHE 48 Cb -0.12 0.00 -0.05 0.00 -0.63 0.00 0.00 43.02 42.22 2k5n s PHE 48 CO 0.03 -1.05 0.30 -1.21 -0.05 0.00 0.00 175.22 173.24 2k5n s GLU 49 N -3.48 3.69 0.09 1.99 0.41 -0.17 -1.59 118.70 119.64 2k5n s GLU 49 Ca 0.28 0.11 -0.28 0.00 -0.41 0.00 0.00 54.97 54.67 2k5n s GLU 49 Cb 0.00 -3.14 -0.06 0.00 -1.78 0.00 0.00 34.13 29.15 2k5n s GLU 49 CO 0.15 0.68 0.88 -2.14 -0.49 0.00 0.00 175.26 174.35 2k5n s PRO 50 N -1.38 4.62 0.32 0.39 0.02 -1.26 -2.32 135.00 135.39 2k5n s PRO 50 Ca 0.24 1.30 -0.17 0.00 0.02 0.00 0.00 61.00 62.39 2k5n s PRO 50 Cb -0.14 -3.37 0.03 0.00 0.02 0.00 0.00 34.50 31.04 2k5n s PRO 50 CO 0.13 0.25 0.71 -0.08 -0.33 0.00 0.00 177.00 177.68 2k5n s THR 51 N -0.05 0.00 0.04 0.99 -1.32 -0.92 -4.93 115.64 109.45 2k5n s THR 51 Ca 0.43 -1.07 -0.01 0.00 -1.21 0.00 0.00 61.69 59.84 2k5n s THR 51 Cb -0.22 -2.41 -0.03 0.00 -1.51 0.00 0.00 72.50 68.32 2k5n s THR 51 CO 0.27 0.00 -0.02 -0.89 -2.21 0.00 0.00 174.62 171.77 2k5n s THR 52 N -3.22 0.18 0.00 5.08 2.01 -1.26 -1.61 115.64 116.81 2k5n s THR 52 Ca 0.15 -1.47 0.00 0.00 0.31 0.00 0.00 61.69 60.68 2k5n s THR 52 Cb -0.05 -1.06 0.00 0.00 0.01 0.00 0.00 72.50 71.41 2k5n s THR 52 CO 0.10 -0.81 0.00 0.59 -0.69 0.00 0.00 174.62 173.81 2k5n n ASN 53 N 0.65 0.00 0.14 3.53 5.03 -1.20 -4.89 115.26 118.52 2k5n n ASN 53 Ca -0.18 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.27 2k5n n ASN 53 Cb 0.59 -0.05 0.00 0.00 -1.02 0.00 0.00 39.78 39.30 2k5n n ASN 53 CO 0.00 0.00 0.00 -3.20 -1.83 0.00 0.00 177.26 172.23 2k5n n ASN 54 N -2.00 -2.45 0.00 6.41 2.85 -1.26 -4.95 115.26 113.86 2k5n n ASN 54 Ca 0.00 0.57 0.16 0.00 -0.11 0.00 0.00 54.58 55.19 2k5n n ASN 54 Cb 0.00 2.46 0.94 0.00 1.24 0.00 0.00 39.78 44.43 2k5n n ASN 54 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 2k5n n LYS 55 N -3.04 0.99 -3.17 1.20 5.02 -1.26 -4.90 118.16 113.01 2k5n n LYS 55 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 2k5n n LYS 55 Cb 0.00 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.51 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 0.99 -1.38 3.86 0.72 0.00 -1.26 -5.15 105.19 102.97 2k5n n GLY 56 Ca 0.24 -1.04 -0.31 0.00 0.00 0.00 0.00 46.02 44.91 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 3.71 0.21 0.99 1.43 -1.26 -3.21 118.68 120.54 2k5n s LEU 57 Ca 0.00 1.33 -0.07 0.00 -1.03 0.00 0.00 54.13 54.36 2k5n s LEU 57 Cb 0.00 -4.24 -0.02 0.00 0.03 0.00 0.00 46.19 41.95 2k5n s LEU 57 CO 0.00 -0.51 0.28 -0.44 0.23 0.00 0.00 176.35 175.91 2k5n s SER 58 N -3.20 0.05 0.03 2.29 0.01 -0.63 -0.38 113.70 111.87 2k5n s SER 58 Ca 0.55 -1.13 0.00 0.00 1.31 0.00 0.00 55.95 56.68 2k5n s SER 58 Cb -0.10 0.46 -0.02 0.00 0.21 0.00 0.00 66.02 66.57 2k5n s SER 58 CO 0.33 -0.95 -0.04 0.00 0.41 0.00 0.00 173.24 172.99 2k5n s ALA 59 N -4.07 0.23 0.36 1.44 0.00 -1.14 -2.15 121.76 116.43 2k5n s ALA 59 Ca 0.29 -0.67 0.04 0.00 0.00 0.00 0.00 51.96 51.62 2k5n s ALA 59 Cb 0.04 0.14 -0.06 0.00 0.00 0.00 0.00 23.12 23.24 2k5n s ALA 59 CO 0.08 -0.15 0.05 0.71 0.00 0.00 0.00 175.76 176.45 2k5n s TYR 60 N -1.65 2.06 -1.23 0.00 2.02 -0.98 -4.59 117.35 112.98 2k5n s TYR 60 Ca -0.13 -0.93 -0.13 0.00 -0.37 0.00 0.00 57.07 55.51 2k5n s TYR 60 Cb -0.09 -1.40 -0.01 0.00 -0.40 0.00 0.00 41.96 40.07 2k5n s TYR 60 CO -0.01 0.08 0.69 0.00 -1.57 0.00 0.00 175.55 174.74 2k5n n ALA 61 N -0.80 -2.35 -2.26 3.71 0.00 -0.96 -1.00 120.51 116.85 2k5n n ALA 61 Ca -0.04 -0.24 -0.42 0.00 0.00 0.00 0.00 53.44 52.74 2k5n n ALA 61 Cb 0.67 -3.21 -0.03 0.00 0.00 0.00 0.00 19.45 16.88 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 -3.62 3.70 -0.39 0.00 1.01 0.07 -4.32 120.40 116.85 2k5n s VAL 62 Ca 0.30 0.64 -0.08 0.00 0.00 0.00 0.00 61.98 62.84 2k5n s VAL 62 Cb -0.11 -4.15 0.07 0.00 0.00 0.00 0.00 36.38 32.19 2k5n s VAL 62 CO 0.86 -0.87 0.21 -0.54 0.00 0.00 0.00 175.10 174.76 2k5n s LYS 63 N 5.59 2.56 0.49 2.72 1.02 0.56 -1.08 119.74 131.60 2k5n s LYS 63 Ca 0.62 -1.40 -0.22 0.00 0.02 0.00 0.00 55.97 55.00 2k5n s LYS 63 Cb -0.14 -3.66 -0.07 0.00 -0.52 0.00 0.00 37.83 33.44 2k5n s LYS 63 CO 0.28 -0.87 1.17 0.08 -0.92 0.00 0.00 175.35 175.09 2k5n s VAL 64 N 1.39 3.02 -0.76 3.17 1.01 -1.26 0.04 120.40 127.02 2k5n s VAL 64 Ca 0.02 0.73 -0.05 0.00 0.00 0.00 0.00 61.98 62.68 2k5n s VAL 64 Cb -0.22 -3.35 0.19 0.00 0.00 0.00 0.00 36.38 33.01 2k5n s VAL 64 CO 0.02 -0.05 0.62 -0.69 0.00 0.00 0.00 175.10 175.00 2k5n s VAL 65 N -1.58 4.32 0.23 2.92 1.01 -0.23 -4.83 120.40 122.24 2k5n s VAL 65 Ca 0.67 -3.16 -0.30 0.00 0.00 0.00 0.00 61.98 59.20 2k5n s VAL 65 Cb -0.28 -3.73 -0.09 0.00 0.00 0.00 0.00 36.38 32.28 2k5n s VAL 65 CO 0.34 -0.98 0.97 -2.16 0.00 0.00 0.00 175.10 173.27 2k5n s PRO 66 N -0.44 4.81 0.00 2.72 0.04 -1.26 -4.54 135.00 136.33 2k5n s PRO 66 Ca 0.21 1.54 0.24 0.00 0.04 0.00 0.00 61.00 63.02 2k5n s PRO 66 Cb -0.14 -3.28 0.33 0.00 0.04 0.00 0.00 34.50 31.45 2k5n s PRO 66 CO -0.07 0.44 1.29 1.47 0.04 0.00 0.00 177.00 180.18 2k5n n LEU 67 N 1.57 0.70 -4.31 -3.56 -0.00 -1.26 -4.80 117.00 105.34 2k5n n LEU 67 Ca -0.01 -0.16 -0.34 0.00 -0.00 0.00 0.00 56.01 55.49 2k5n n LEU 67 Cb 0.47 -0.17 -0.14 0.00 -0.00 0.00 0.00 43.42 43.57 2k5n n LEU 67 CO 0.51 0.17 -0.41 -0.70 -0.00 0.00 0.00 177.39 176.95 2k5n s GLU 68 N -2.95 3.35 -0.03 1.47 2.12 -1.26 -5.01 118.70 116.40 2k5n s GLU 68 Ca 0.11 -0.66 -0.13 0.00 0.36 0.00 0.00 54.97 54.66 2k5n s GLU 68 Cb 0.17 -2.86 -0.32 0.00 0.26 0.00 0.00 34.13 31.38 2k5n s GLU 68 CO 0.72 -0.08 0.77 1.25 -0.54 0.00 0.00 175.26 177.38 2k5n h HIS 69 N 7.68 0.79 -3.35 5.30 -0.00 -2.04 -3.44 115.15 120.08 2k5n h HIS 69 Ca -0.38 -0.57 -0.56 0.00 -0.00 0.00 0.00 60.37 58.85 2k5n h HIS 69 Cb 1.17 -0.03 -0.06 0.00 -0.00 0.00 0.00 27.41 28.49 2k5n h HIS 69 CO 0.55 1.63 0.03 -3.38 -0.00 0.00 0.00 177.93 176.76 2k5n s HIS 70 N -2.57 3.55 -0.09 5.26 0.00 -1.26 -5.05 115.29 115.13 2k5n s HIS 70 Ca -0.14 1.14 -0.06 0.00 -3.00 0.00 0.00 55.06 53.00 2k5n s HIS 70 Cb 0.05 -2.74 0.03 0.00 -4.00 0.00 0.00 32.58 25.92 2k5n s HIS 70 CO 0.88 0.10 0.22 -3.38 -1.00 0.00 0.00 174.74 171.56 2k5n s HIS 71 N 0.79 -0.27 -0.05 0.38 -3.43 -1.26 -5.15 115.29 106.30 2k5n s HIS 71 Ca 0.34 0.65 -0.31 0.00 -0.80 0.00 0.00 55.06 54.95 2k5n s HIS 71 Cb -0.17 0.06 0.11 0.00 -1.43 0.00 0.00 32.58 31.15 2k5n s HIS 71 CO 0.16 -0.16 1.04 -3.38 -2.00 0.00 0.00 174.74 170.39 2k5n s HIS 72 N 0.59 -0.23 -0.41 0.38 -3.43 -1.26 -5.12 115.29 105.80 2k5n s HIS 72 Ca -0.04 0.10 -0.26 0.00 -0.80 0.00 0.00 55.06 54.07 2k5n s HIS 72 Cb -0.05 0.54 0.02 0.00 -1.43 0.00 0.00 32.58 31.66 2k5n s HIS 72 CO -0.03 -0.44 0.92 -1.01 -2.00 0.00 0.00 174.74 172.19 2k5n s HIS 73 N -2.84 3.00 0.00 0.38 0.09 -1.26 -5.30 115.29 109.36 2k5n s HIS 73 Ca 0.08 0.58 0.00 0.00 -0.00 0.00 0.00 55.06 55.71 2k5n s HIS 73 Cb -0.01 -3.81 0.00 0.00 -0.00 0.00 0.00 32.58 28.76 2k5n s HIS 73 CO -0.06 -0.96 0.00 0.72 -0.00 0.00 0.00 174.74 174.44