#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 3.59 0.18 3.17 0.00 -1.26 -4.44 121.76 123.00 2k5n s ALA 2 Ca 0.00 0.53 0.09 0.00 0.00 0.00 0.00 51.96 52.58 2k5n s ALA 2 Cb 0.00 -3.68 -0.04 0.00 0.00 0.00 0.00 23.12 19.39 2k5n s ALA 2 CO 0.00 -1.35 -0.12 -1.64 0.00 0.00 0.00 175.76 172.65 2k5n s MET 3 N 3.79 1.97 -0.03 0.00 1.00 0.16 -4.92 119.30 121.27 2k5n s MET 3 Ca 0.61 -1.30 0.07 0.00 0.00 0.00 0.00 55.69 55.06 2k5n s MET 3 Cb -0.24 -2.11 -0.02 0.00 0.00 0.00 0.00 34.83 32.46 2k5n s MET 3 CO 0.20 0.43 -0.22 0.54 0.00 0.00 0.00 175.02 175.97 2k5n s ASN 4 N -2.77 3.37 0.31 3.03 2.20 -1.26 0.10 114.94 119.92 2k5n s ASN 4 Ca 0.24 -0.38 -0.02 0.00 -0.94 0.00 0.00 52.86 51.76 2k5n s ASN 4 Cb -0.09 -0.51 -0.01 0.00 -2.00 0.00 0.00 41.25 38.65 2k5n s ASN 4 CO 0.14 0.33 0.41 -0.83 -2.94 0.00 0.00 177.10 174.21 2k5n s GLY 5 N -0.65 1.48 -0.03 0.45 0.00 0.47 -3.44 107.32 105.60 2k5n s GLY 5 Ca 0.10 -1.54 0.05 0.00 0.00 0.00 0.00 44.72 43.34 2k5n s GLY 5 CO -0.00 -1.06 -0.19 -1.59 0.00 0.00 0.00 173.10 170.25 2k5n s THR 6 N -3.35 2.64 -0.30 0.90 2.01 0.02 -0.47 115.64 117.10 2k5n s THR 6 Ca 0.32 -0.89 -0.29 0.00 0.31 0.00 0.00 61.69 61.13 2k5n s THR 6 Cb 0.01 -1.99 0.01 0.00 0.01 0.00 0.00 72.50 70.54 2k5n s THR 6 CO 0.19 0.58 1.12 -0.63 -0.69 0.00 0.00 174.62 175.19 2k5n s ILE 7 N -0.69 4.46 -0.04 1.82 1.01 -0.43 -2.17 121.20 125.17 2k5n s ILE 7 Ca 0.11 1.69 -0.07 0.00 0.00 0.00 0.00 60.65 62.38 2k5n s ILE 7 Cb -0.10 -4.35 -0.02 0.00 0.01 0.00 0.00 42.46 38.00 2k5n s ILE 7 CO -0.00 -0.43 -0.13 0.35 0.00 0.00 0.00 174.94 174.73 2k5n n THR 8 N 5.84 0.93 -3.92 2.92 -2.24 -1.15 -0.85 114.28 115.81 2k5n n THR 8 Ca 0.12 0.27 -0.35 0.00 -2.27 0.00 0.00 64.05 61.82 2k5n n THR 8 Cb 0.47 -1.78 -0.10 0.00 -2.10 0.00 0.00 70.33 66.83 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 -2.02 4.91 -0.10 4.28 2.01 -1.01 -4.83 115.64 118.89 2k5n s THR 9 Ca -0.11 0.01 -0.07 0.00 0.31 0.00 0.00 61.69 61.83 2k5n s THR 9 Cb 0.02 -3.23 0.04 0.00 0.01 0.00 0.00 72.50 69.33 2k5n s THR 9 CO 0.16 0.44 0.26 0.86 -0.69 0.00 0.00 174.62 175.65 2k5n s TRP 10 N 0.48 -0.32 -0.20 4.92 -0.11 -1.26 0.12 118.94 122.57 2k5n s TRP 10 Ca 0.04 0.76 0.00 0.00 1.22 0.00 0.00 56.10 58.12 2k5n s TRP 10 Cb -0.12 0.08 0.05 0.00 -1.50 0.00 0.00 33.47 31.98 2k5n s TRP 10 CO 0.00 -0.19 -0.07 -0.06 -4.62 0.00 0.00 176.95 172.02 2k5n s PHE 11 N 0.70 2.19 0.03 5.86 0.08 -0.34 -5.00 117.98 121.50 2k5n s PHE 11 Ca -0.05 -1.50 -0.22 0.00 0.12 0.00 0.00 56.93 55.29 2k5n s PHE 11 Cb -0.06 -1.52 -0.12 0.00 -0.57 0.00 0.00 43.02 40.75 2k5n s PHE 11 CO -0.04 -0.72 1.28 -0.22 -0.10 0.00 0.00 175.22 175.42 2k5n h LYS 12 N 8.01 -0.75 0.00 0.44 3.11 -1.97 0.25 116.57 125.67 2k5n h LYS 12 Ca -0.23 0.05 0.00 0.00 -2.81 0.00 0.00 60.65 57.66 2k5n h LYS 12 Cb 1.09 0.17 0.00 0.00 -1.00 0.00 0.00 32.23 32.49 2k5n h LYS 12 CO 0.43 -0.50 0.00 -0.44 -2.81 0.00 0.00 179.45 176.13 2k5n h ASP 13 N -0.80 0.00 0.55 4.20 3.32 -1.96 -1.32 116.42 120.41 2k5n h ASP 13 Ca -0.08 0.00 -0.29 0.00 0.02 0.00 0.00 57.03 56.68 2k5n h ASP 13 Cb 0.60 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.15 2k5n h ASP 13 CO 0.13 0.00 -1.35 0.11 -1.72 0.00 0.00 179.24 176.41 2k5n h LYS 14 N 0.00 0.29 0.00 3.56 1.79 -1.98 -3.48 116.57 116.75 2k5n h LYS 14 Ca 0.00 -0.49 0.00 0.00 -2.18 0.00 0.00 60.65 57.98 2k5n h LYS 14 Cb 0.54 0.18 0.00 0.00 -1.58 0.00 0.00 32.23 31.37 2k5n h LYS 14 CO 0.00 1.21 0.00 0.41 -1.08 0.00 0.00 179.45 179.99 2k5n n GLY 15 N 1.59 0.64 3.40 3.86 0.00 0.07 -5.02 105.19 109.73 2k5n n GLY 15 Ca -0.12 -0.36 -0.14 0.00 0.00 0.00 0.00 46.02 45.40 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 1.11 0.00 1.61 -0.12 -1.15 -0.12 117.98 117.30 2k5n s PHE 16 Ca 0.00 -1.29 0.00 0.00 -0.05 0.00 0.00 56.93 55.59 2k5n s PHE 16 Cb 0.00 -0.27 0.00 0.00 -0.63 0.00 0.00 43.02 42.12 2k5n s PHE 16 CO 0.00 -0.95 0.00 0.41 -0.05 0.00 0.00 175.22 174.63 2k5n n GLY 17 N -0.48 1.01 2.86 1.99 0.00 -0.72 -1.20 105.19 108.65 2k5n n GLY 17 Ca 0.02 -0.82 -0.22 0.00 0.00 0.00 0.00 46.02 45.00 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 -3.84 0.86 -0.10 1.61 0.08 0.12 -1.29 117.98 115.42 2k5n s PHE 18 Ca 0.00 -0.28 0.04 0.00 0.12 0.00 0.00 56.93 56.80 2k5n s PHE 18 Cb 0.00 -0.81 0.00 0.00 -0.57 0.00 0.00 43.02 41.65 2k5n s PHE 18 CO 0.00 -0.28 -0.23 0.42 -0.10 0.00 0.00 175.22 175.03 2k5n s ILE 19 N 1.33 1.97 -0.19 0.64 1.01 -1.08 -2.40 121.20 122.49 2k5n s ILE 19 Ca -0.04 -0.96 -0.05 0.00 0.00 0.00 0.00 60.65 59.59 2k5n s ILE 19 Cb -0.14 -1.71 -0.03 0.00 0.01 0.00 0.00 42.46 40.59 2k5n s ILE 19 CO -0.02 0.54 0.01 -0.75 0.00 0.00 0.00 174.94 174.71 2k5n s LYS 20 N 0.45 3.70 0.60 2.79 2.20 -0.92 -2.23 119.74 126.33 2k5n s LYS 20 Ca -0.17 -0.48 0.04 0.00 -0.36 0.00 0.00 55.97 55.01 2k5n s LYS 20 Cb -0.17 -3.09 0.08 0.00 -1.51 0.00 0.00 37.83 33.13 2k5n s LYS 20 CO 0.07 0.10 0.82 0.16 -0.36 0.00 0.00 175.35 176.14 2k5n s ASP 21 N 0.78 4.96 -0.08 1.43 -4.77 -1.19 -0.80 116.67 117.00 2k5n s ASP 21 Ca 0.01 -0.47 0.18 0.00 -3.30 0.00 0.00 52.55 48.96 2k5n s ASP 21 Cb -0.14 -0.16 0.62 0.00 -1.09 0.00 0.00 42.92 42.15 2k5n s ASP 21 CO 0.02 -1.40 1.54 -0.62 0.70 0.00 0.00 175.17 175.41 2k5n n GLU 22 N -2.40 3.37 -0.09 2.11 1.02 -1.22 -4.34 120.64 119.09 2k5n n GLU 22 Ca 0.13 -2.72 -0.17 0.00 -0.02 0.00 0.00 57.16 54.38 2k5n n GLU 22 Cb 0.60 -1.74 -0.07 0.00 -0.02 0.00 0.00 31.44 30.22 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 0.93 1.62 0.00 1.62 5.15 -1.26 -5.00 115.26 118.32 2k5n n ASN 23 Ca 0.23 0.14 0.00 0.00 -0.60 0.00 0.00 54.58 54.35 2k5n n ASN 23 Cb 0.78 -0.46 0.00 0.00 -0.53 0.00 0.00 39.78 39.56 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 2.08 0.15 0.00 8.20 0.00 -1.26 -5.17 105.19 109.18 2k5n n GLY 24 Ca -0.34 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.73 0.00 -4.72 1.61 -0.08 -1.26 -5.01 116.55 106.36 2k5n n ASP 25 Ca 0.00 -0.45 -0.41 0.00 -1.51 0.00 0.00 54.79 52.43 2k5n n ASP 25 Cb 0.00 0.00 -0.04 0.00 2.34 0.00 0.00 41.12 43.42 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 0.66 7.24 0.11 1.67 3.84 -1.26 -3.20 114.94 124.00 2k5n s ASN 26 Ca 0.00 1.49 0.08 0.00 0.21 0.00 0.00 52.86 54.65 2k5n s ASN 26 Cb 0.00 -2.51 -0.04 0.00 -0.55 0.00 0.00 41.25 38.16 2k5n s ASN 26 CO 0.00 -0.15 -0.21 -0.13 -2.79 0.00 0.00 177.10 173.82 2k5n s ARG 27 N 0.65 1.16 -0.05 0.43 0.52 -0.95 -4.82 118.95 115.89 2k5n s ARG 27 Ca 0.45 -1.20 -0.30 0.00 -0.52 0.00 0.00 55.73 54.16 2k5n s ARG 27 Cb -0.20 -1.43 -0.03 0.00 0.52 0.00 0.00 34.95 33.81 2k5n s ARG 27 CO 0.24 0.33 1.06 -0.47 0.02 0.00 0.00 175.30 176.48 2k5n s TYR 28 N -1.22 3.48 0.22 -0.53 5.04 -0.43 -2.62 117.35 121.30 2k5n s TYR 28 Ca 0.08 1.52 0.11 0.00 -2.44 0.00 0.00 57.07 56.34 2k5n s TYR 28 Cb -0.10 -3.24 -0.05 0.00 0.35 0.00 0.00 41.96 38.93 2k5n s TYR 28 CO 0.05 -0.50 -0.22 -0.06 -1.34 0.00 0.00 175.55 173.48 2k5n s PHE 29 N 1.68 2.24 -0.01 4.97 0.40 -0.41 -3.06 117.98 123.79 2k5n s PHE 29 Ca 0.52 -0.36 -0.02 0.00 -0.60 0.00 0.00 56.93 56.47 2k5n s PHE 29 Cb -0.21 -1.06 0.00 0.00 0.51 0.00 0.00 43.02 42.26 2k5n s PHE 29 CO 0.23 0.56 0.05 -1.58 0.70 0.00 0.00 175.22 175.17 2k5n s HIS 30 N -2.04 -0.02 0.50 0.36 2.46 -1.26 -1.75 115.29 113.52 2k5n s HIS 30 Ca 0.24 0.07 0.22 0.00 0.47 0.00 0.00 55.06 56.05 2k5n s HIS 30 Cb -0.06 -0.00 1.28 0.00 -0.13 0.00 0.00 32.58 33.66 2k5n s HIS 30 CO 0.11 -0.05 1.99 -0.24 -2.47 0.00 0.00 174.74 174.08 2k5n h VAL 31 N 5.00 0.78 0.00 0.89 3.04 -0.89 0.33 116.25 125.41 2k5n h VAL 31 Ca -0.25 -0.04 -0.01 0.00 -1.01 0.00 0.00 66.70 65.38 2k5n h VAL 31 Cb 1.21 0.64 -0.00 0.00 -2.01 0.00 0.00 31.29 31.12 2k5n h VAL 31 CO 0.47 0.02 -0.07 -0.29 -1.01 0.00 0.00 177.57 176.69 2k5n h ILE 32 N 0.13 0.18 0.00 3.17 2.10 -1.97 -2.04 117.51 119.08 2k5n h ILE 32 Ca 0.27 -0.72 0.00 0.00 1.08 0.00 0.00 64.86 65.49 2k5n h ILE 32 Cb 0.88 1.61 0.00 0.00 -1.09 0.00 0.00 36.82 38.21 2k5n h ILE 32 CO -0.03 0.07 -0.10 0.29 -1.08 0.00 0.00 178.15 177.30 2k5n n LYS 33 N -3.19 0.09 -3.36 2.19 4.01 0.11 -4.83 118.16 113.17 2k5n n LYS 33 Ca 0.01 0.06 -0.38 0.00 -0.51 0.00 0.00 58.31 57.48 2k5n n LYS 33 Cb 0.35 -1.59 -0.06 0.00 -0.51 0.00 0.00 35.03 33.22 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 -3.04 4.92 -0.00 -0.18 1.01 -0.77 -0.90 120.40 121.44 2k5n s VAL 34 Ca 0.12 1.04 -0.04 0.00 0.00 0.00 0.00 61.98 63.11 2k5n s VAL 34 Cb 0.17 -3.82 -0.28 0.00 0.00 0.00 0.00 36.38 32.45 2k5n s VAL 34 CO 0.58 0.53 0.85 0.00 0.00 0.00 0.00 175.10 177.05 2k5n h ALA 35 N 4.94 0.26 -2.89 5.51 0.00 -1.25 -3.42 119.26 122.41 2k5n h ALA 35 Ca -0.49 -1.11 -0.61 0.00 0.00 0.00 0.00 54.91 52.70 2k5n h ALA 35 Cb 1.21 0.29 -0.40 0.00 0.00 0.00 0.00 17.79 18.89 2k5n h ALA 35 CO 0.64 1.12 -0.74 0.54 0.00 0.00 0.00 179.25 180.81 2k5n s ASN 36 N -7.01 3.48 0.19 0.00 4.22 -1.26 -4.96 114.94 109.60 2k5n s ASN 36 Ca -0.09 -3.04 0.05 0.00 -2.14 0.00 0.00 52.86 47.64 2k5n s ASN 36 Cb 0.07 -1.07 0.05 0.00 1.28 0.00 0.00 41.25 41.58 2k5n s ASN 36 CO 0.85 -0.20 1.42 -0.65 -2.04 0.00 0.00 177.10 176.49 2k5n h PRO 37 N 6.16 0.12 0.00 3.55 0.11 -1.91 -3.16 132.00 136.86 2k5n h PRO 37 Ca 0.09 -0.12 -0.02 0.00 0.11 0.00 0.00 66.00 66.06 2k5n h PRO 37 Cb 0.88 0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.02 2k5n h PRO 37 CO 0.52 0.87 -0.08 0.22 -0.21 0.00 0.00 178.00 179.33 2k5n h ASP 38 N 0.07 0.00 -0.32 -2.05 3.58 -1.99 -1.27 116.42 114.44 2k5n h ASP 38 Ca -0.03 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.42 2k5n h ASP 38 Cb 1.44 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.49 2k5n h ASP 38 CO 0.12 0.08 0.00 0.18 -2.88 0.00 0.00 179.24 176.74 2k5n n LEU 39 N -3.78 2.78 -4.68 2.28 4.77 -1.19 -4.89 117.00 112.28 2k5n n LEU 39 Ca -0.02 -1.20 -0.42 0.00 -0.03 0.00 0.00 56.01 54.33 2k5n n LEU 39 Cb 0.18 -0.21 -0.03 0.00 -2.33 0.00 0.00 43.42 41.04 2k5n n LEU 39 CO 0.30 0.60 0.97 -0.63 -1.33 0.00 0.00 177.39 177.30 2k5n s ILE 40 N -1.59 4.29 0.14 -0.08 1.01 -0.48 -4.95 121.20 119.54 2k5n s ILE 40 Ca 0.36 1.60 -0.05 0.00 0.00 0.00 0.00 60.65 62.56 2k5n s ILE 40 Cb 0.20 -4.03 -0.02 0.00 0.01 0.00 0.00 42.46 38.62 2k5n s ILE 40 CO 0.29 -0.03 0.16 -1.59 0.00 0.00 0.00 174.94 173.77 2k5n s LYS 41 N 2.47 1.00 0.47 2.79 -2.85 -1.26 -5.08 119.74 117.27 2k5n s LYS 41 Ca 0.55 -1.28 -0.19 0.00 -1.00 0.00 0.00 55.97 54.05 2k5n s LYS 41 Cb -0.24 0.30 -0.09 0.00 -2.06 0.00 0.00 37.83 35.74 2k5n s LYS 41 CO 0.20 -0.32 0.98 0.15 0.10 0.00 0.00 175.35 176.46 2k5n s LYS 42 N -3.99 4.04 0.00 1.78 1.02 -1.26 -3.30 119.74 118.03 2k5n s LYS 42 Ca 0.19 1.12 0.00 0.00 0.02 0.00 0.00 55.97 57.30 2k5n s LYS 42 Cb 0.06 -2.15 0.00 0.00 -0.52 0.00 0.00 37.83 35.22 2k5n s LYS 42 CO -0.01 -0.20 0.00 -3.47 -0.92 0.00 0.00 175.35 170.76 2k5n n ASP 43 N -1.01 -1.72 -4.89 2.83 2.03 -0.03 -4.99 116.55 108.78 2k5n n ASP 43 Ca 0.07 0.00 -0.29 0.00 0.52 0.00 0.00 54.79 55.09 2k5n n ASP 43 Cb 0.54 -1.33 -0.01 0.00 -0.72 0.00 0.00 41.12 39.60 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 -2.28 3.31 -0.12 -1.67 0.00 -1.21 -4.76 121.76 115.02 2k5n s ALA 44 Ca 0.00 -0.31 -0.10 0.00 0.00 0.00 0.00 51.96 51.55 2k5n s ALA 44 Cb 0.00 -2.75 -0.05 0.00 0.00 0.00 0.00 23.12 20.33 2k5n s ALA 44 CO 0.00 -0.33 0.21 0.00 0.00 0.00 0.00 175.76 175.64 2k5n s ALA 45 N -2.74 3.76 0.11 0.00 0.00 -1.26 -1.31 121.76 120.31 2k5n s ALA 45 Ca 0.51 -0.55 0.04 0.00 0.00 0.00 0.00 51.96 51.96 2k5n s ALA 45 Cb -0.10 -2.16 -0.04 0.00 0.00 0.00 0.00 23.12 20.82 2k5n s ALA 45 CO 0.43 0.40 -0.11 0.14 0.00 0.00 0.00 175.76 176.62 2k5n s VAL 46 N -0.46 1.04 -0.07 0.00 -7.23 0.39 -1.59 120.40 112.47 2k5n s VAL 46 Ca 0.15 -1.73 0.04 0.00 -1.81 0.00 0.00 61.98 58.64 2k5n s VAL 46 Cb -0.13 -1.47 -0.01 0.00 0.56 0.00 0.00 36.38 35.32 2k5n s VAL 46 CO 0.04 -0.57 -0.20 0.42 -0.31 0.00 0.00 175.10 174.48 2k5n s THR 47 N -2.56 2.47 0.34 5.32 -4.23 0.12 -0.40 115.64 116.69 2k5n s THR 47 Ca 0.08 -0.91 -0.07 0.00 -1.18 0.00 0.00 61.69 59.60 2k5n s THR 47 Cb -0.02 -1.94 0.01 0.00 1.34 0.00 0.00 72.50 71.89 2k5n s THR 47 CO 0.00 0.57 0.55 0.72 -0.54 0.00 0.00 174.62 175.92 2k5n s PHE 48 N -0.18 0.71 0.05 3.99 -0.12 0.11 0.26 117.98 122.80 2k5n s PHE 48 Ca -0.02 -1.07 0.08 0.00 -0.05 0.00 0.00 56.93 55.87 2k5n s PHE 48 Cb -0.14 0.19 -0.03 0.00 -0.63 0.00 0.00 43.02 42.41 2k5n s PHE 48 CO 0.04 -1.22 -0.24 -1.21 -0.05 0.00 0.00 175.22 172.54 2k5n s GLU 49 N -3.05 1.62 0.40 1.99 2.02 -0.57 0.37 118.70 121.48 2k5n s GLU 49 Ca 0.25 -1.05 -0.24 0.00 0.02 0.00 0.00 54.97 53.96 2k5n s GLU 49 Cb -0.02 -1.78 -0.09 0.00 0.10 0.00 0.00 34.13 32.35 2k5n s GLU 49 CO 0.16 0.46 1.05 -1.25 0.02 0.00 0.00 175.26 175.70 2k5n s PRO 50 N -1.23 4.16 0.02 0.39 0.04 -1.26 -0.46 135.00 136.65 2k5n s PRO 50 Ca 0.10 1.53 -0.15 0.00 0.04 0.00 0.00 61.00 62.52 2k5n s PRO 50 Cb -0.09 -2.54 0.02 0.00 0.04 0.00 0.00 34.50 31.92 2k5n s PRO 50 CO 0.02 -0.15 0.32 -0.08 0.04 0.00 0.00 177.00 177.15 2k5n s THR 51 N -1.65 0.07 0.24 1.26 -1.32 0.13 -4.82 115.64 109.55 2k5n s THR 51 Ca 0.58 -0.57 -0.09 0.00 -1.21 0.00 0.00 61.69 60.39 2k5n s THR 51 Cb -0.22 -0.81 -0.07 0.00 -1.51 0.00 0.00 72.50 69.89 2k5n s THR 51 CO 0.28 -0.32 0.55 -0.89 -2.21 0.00 0.00 174.62 172.03 2k5n s THR 52 N -2.02 4.95 0.19 5.08 2.01 -1.26 -1.67 115.64 122.91 2k5n s THR 52 Ca -0.09 0.41 0.07 0.00 0.31 0.00 0.00 61.69 62.40 2k5n s THR 52 Cb -0.03 -3.63 -0.05 0.00 0.01 0.00 0.00 72.50 68.80 2k5n s THR 52 CO 0.00 -0.11 -0.14 0.21 -0.69 0.00 0.00 174.62 173.89 2k5n s ASN 53 N -2.48 2.46 0.26 3.53 3.84 -0.67 -4.82 114.94 117.06 2k5n s ASN 53 Ca 0.47 -0.99 0.05 0.00 0.21 0.00 0.00 52.86 52.60 2k5n s ASN 53 Cb -0.11 -0.12 0.35 0.00 -0.55 0.00 0.00 41.25 40.82 2k5n s ASN 53 CO 0.23 -0.17 1.63 -1.13 -2.79 0.00 0.00 177.10 174.86 2k5n h ASN 54 N 2.71 0.28 -0.45 -4.21 -0.73 -1.99 -3.14 115.58 108.05 2k5n h ASN 54 Ca -0.38 -0.14 0.00 0.00 1.87 0.00 0.00 56.30 57.65 2k5n h ASN 54 Cb 1.21 -0.08 0.00 0.00 0.27 0.00 0.00 38.32 39.73 2k5n h ASN 54 CO 0.60 0.73 0.00 2.29 -0.37 0.00 0.00 177.43 180.69 2k5n n LYS 55 N -3.96 2.49 -1.69 6.67 2.85 -1.26 -5.04 118.16 118.22 2k5n n LYS 55 Ca -0.02 -2.30 0.00 0.00 -1.05 0.00 0.00 58.31 54.95 2k5n n LYS 55 Cb 0.54 -1.49 0.00 0.00 -0.65 0.00 0.00 35.03 33.44 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 1.39 -0.50 3.89 2.58 0.00 -1.19 -5.13 105.19 106.23 2k5n n GLY 56 Ca 0.19 -0.89 -0.33 0.00 0.00 0.00 0.00 46.02 44.99 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 4.31 0.21 0.99 1.43 -1.26 -1.66 118.68 122.69 2k5n s LEU 57 Ca 0.00 0.31 -0.06 0.00 -1.03 0.00 0.00 54.13 53.35 2k5n s LEU 57 Cb 0.00 -2.60 -0.02 0.00 0.03 0.00 0.00 46.19 43.59 2k5n s LEU 57 CO 0.00 0.25 0.27 -0.94 0.23 0.00 0.00 176.35 176.16 2k5n s SER 58 N -1.97 0.06 0.03 2.29 1.04 -0.67 -1.31 113.70 113.17 2k5n s SER 58 Ca 0.27 -1.17 -0.03 0.00 0.48 0.00 0.00 55.95 55.51 2k5n s SER 58 Cb -0.13 0.46 -0.02 0.00 0.10 0.00 0.00 66.02 66.43 2k5n s SER 58 CO 0.19 -0.95 0.04 0.00 0.98 0.00 0.00 173.24 173.49 2k5n s ALA 59 N -4.09 0.09 0.25 5.32 0.00 -1.17 -0.69 121.76 121.46 2k5n s ALA 59 Ca 0.30 -0.67 0.03 0.00 0.00 0.00 0.00 51.96 51.62 2k5n s ALA 59 Cb 0.04 0.22 -0.01 0.00 0.00 0.00 0.00 23.12 23.36 2k5n s ALA 59 CO 0.09 -0.28 0.10 2.48 0.00 0.00 0.00 175.76 178.16 2k5n n TYR 60 N 0.92 -0.01 -3.81 0.00 4.11 0.39 -4.77 117.16 114.00 2k5n n TYR 60 Ca -0.20 -1.65 -0.23 0.00 -0.00 0.00 0.00 57.90 55.82 2k5n n TYR 60 Cb 0.58 0.03 0.01 0.00 -0.00 0.00 0.00 39.34 39.95 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 -1.76 -2.04 -2.22 -3.48 0.00 -1.14 -1.51 120.51 108.36 2k5n n ALA 61 Ca -0.09 -0.22 -0.41 0.00 0.00 0.00 0.00 53.44 52.72 2k5n n ALA 61 Cb 0.38 -1.84 -0.03 0.00 0.00 0.00 0.00 19.45 17.96 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 -3.79 3.60 -0.36 0.00 1.01 -0.08 -4.31 120.40 116.47 2k5n s VAL 62 Ca 0.02 0.50 -0.11 0.00 0.00 0.00 0.00 61.98 62.40 2k5n s VAL 62 Cb -0.01 -4.14 0.02 0.00 0.00 0.00 0.00 36.38 32.24 2k5n s VAL 62 CO 0.85 -0.95 0.21 -0.75 0.00 0.00 0.00 175.10 174.46 2k5n s LYS 63 N 5.97 3.01 0.34 2.72 2.20 0.14 -0.77 119.74 133.35 2k5n s LYS 63 Ca 0.62 -0.96 -0.27 0.00 -0.36 0.00 0.00 55.97 55.00 2k5n s LYS 63 Cb -0.14 -3.72 -0.09 0.00 -1.51 0.00 0.00 37.83 32.37 2k5n s LYS 63 CO 0.25 -0.62 1.13 0.08 -0.36 0.00 0.00 175.35 175.84 2k5n s VAL 64 N 1.59 3.35 -0.79 4.02 1.01 -1.26 0.11 120.40 128.43 2k5n s VAL 64 Ca 0.03 1.23 -0.09 0.00 0.00 0.00 0.00 61.98 63.16 2k5n s VAL 64 Cb -0.18 -3.74 0.21 0.00 0.00 0.00 0.00 36.38 32.66 2k5n s VAL 64 CO 0.07 0.20 0.69 -0.69 0.00 0.00 0.00 175.10 175.37 2k5n s VAL 65 N -1.32 4.90 -0.08 2.92 1.01 -0.62 -4.88 120.40 122.34 2k5n s VAL 65 Ca 0.51 -2.85 -0.30 0.00 0.00 0.00 0.00 61.98 59.34 2k5n s VAL 65 Cb -0.31 -4.06 -0.03 0.00 0.00 0.00 0.00 36.38 31.98 2k5n s VAL 65 CO 0.39 -1.00 1.24 -2.84 0.00 0.00 0.00 175.10 172.89 2k5n s PRO 66 N -0.18 4.31 -0.02 2.72 0.02 -1.26 -4.62 135.00 135.97 2k5n s PRO 66 Ca 0.20 1.70 -0.17 0.00 0.02 0.00 0.00 61.00 62.74 2k5n s PRO 66 Cb -0.13 -3.62 -0.10 0.00 0.02 0.00 0.00 34.50 30.67 2k5n s PRO 66 CO -0.07 -0.53 0.78 -0.07 -0.33 0.00 0.00 177.00 176.77 2k5n h LEU 67 N 8.65 -0.53 -9.20 -5.54 3.38 -1.97 -3.46 115.31 106.65 2k5n h LEU 67 Ca -0.32 0.02 -0.64 0.00 0.09 0.00 0.00 57.88 57.02 2k5n h LEU 67 Cb 1.15 0.14 -0.16 0.00 0.09 0.00 0.00 40.66 41.87 2k5n h LEU 67 CO 0.91 -0.17 -0.77 -1.61 0.09 0.00 0.00 178.44 176.90 2k5n s GLU 68 N -3.62 1.85 -0.12 1.13 2.02 -1.26 -5.10 118.70 113.59 2k5n s GLU 68 Ca -0.09 -1.34 -0.26 0.00 0.02 0.00 0.00 54.97 53.30 2k5n s GLU 68 Cb 0.01 -2.05 -0.02 0.00 0.10 0.00 0.00 34.13 32.17 2k5n s GLU 68 CO 0.27 0.43 0.83 -1.01 0.02 0.00 0.00 175.26 175.80 2k5n s HIS 69 N -1.62 3.49 -1.01 1.61 3.76 -1.26 -4.95 115.29 115.31 2k5n s HIS 69 Ca 0.23 1.33 -0.08 0.00 -0.15 0.00 0.00 55.06 56.39 2k5n s HIS 69 Cb -0.09 -2.99 -0.11 0.00 1.11 0.00 0.00 32.58 30.51 2k5n s HIS 69 CO 0.13 -0.13 3.08 1.58 -0.85 0.00 0.00 174.74 178.55 2k5n n HIS 70 N 4.69 1.65 0.00 1.40 -0.00 -1.26 -4.69 115.22 117.01 2k5n n HIS 70 Ca 0.03 -2.49 0.00 0.00 0.46 0.00 0.00 57.72 55.72 2k5n n HIS 70 Cb 0.50 -2.06 0.00 0.00 -0.12 0.00 0.00 29.99 28.31 2k5n n HIS 70 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 2k5n n HIS 71 N 2.81 0.00 -2.06 1.57 -0.00 -1.26 -4.87 115.22 111.41 2k5n n HIS 71 Ca 0.64 0.00 -0.38 0.00 0.46 0.00 0.00 57.72 58.44 2k5n n HIS 71 Cb 0.46 0.00 -0.03 0.00 -0.12 0.00 0.00 29.99 30.30 2k5n n HIS 71 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 2k5n s HIS 72 N 0.00 1.69 0.09 1.57 5.65 -1.26 -4.95 115.29 118.07 2k5n s HIS 72 Ca 0.00 0.74 0.06 0.00 0.25 0.00 0.00 55.06 56.11 2k5n s HIS 72 Cb 0.00 -4.11 -0.04 0.00 -1.18 0.00 0.00 32.58 27.25 2k5n s HIS 72 CO 0.00 -2.27 -0.08 -1.58 -0.65 0.00 0.00 174.74 170.15 2k5n s HIS 73 N 8.98 2.79 -2.70 3.88 2.46 -1.26 -5.04 115.29 124.40 2k5n s HIS 73 Ca 0.66 -0.12 0.22 0.00 0.47 0.00 0.00 55.06 56.28 2k5n s HIS 73 Cb -0.12 -1.47 0.17 0.00 -0.13 0.00 0.00 32.58 31.03 2k5n s HIS 73 CO 0.19 0.42 1.18 0.72 -2.47 0.00 0.00 174.74 174.79