#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k5n n ALA 2 N 0.00 -2.44 -2.56 3.04 0.00 -1.24 -5.05 120.51 112.26 2k5n n ALA 2 Ca 0.00 0.28 -0.25 0.00 0.00 0.00 0.00 53.44 53.47 2k5n n ALA 2 Cb 0.00 -0.91 -0.09 0.00 0.00 0.00 0.00 19.45 18.45 2k5n n ALA 2 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 2k5n s MET 3 N -1.37 1.99 -0.18 0.00 1.00 -0.59 -4.89 119.30 115.26 2k5n s MET 3 Ca 0.00 -1.48 -0.12 0.00 0.00 0.00 0.00 55.69 54.09 2k5n s MET 3 Cb 0.00 -2.03 -0.05 0.00 0.00 0.00 0.00 34.83 32.76 2k5n s MET 3 CO 0.00 0.38 0.21 0.54 0.00 0.00 0.00 175.02 176.15 2k5n s ASN 4 N -3.31 6.33 0.16 3.03 2.20 -1.26 -2.24 114.94 119.85 2k5n s ASN 4 Ca 0.28 0.37 0.03 0.00 -0.94 0.00 0.00 52.86 52.60 2k5n s ASN 4 Cb -0.07 -2.14 -0.05 0.00 -2.00 0.00 0.00 41.25 37.00 2k5n s ASN 4 CO 0.16 0.14 -0.03 -0.83 -2.94 0.00 0.00 177.10 173.60 2k5n s GLY 5 N 0.41 1.15 -0.08 0.45 0.00 0.42 -3.60 107.32 106.08 2k5n s GLY 5 Ca 0.12 -1.55 0.00 0.00 0.00 0.00 0.00 44.72 43.29 2k5n s GLY 5 CO 0.01 -1.55 -0.06 -1.59 0.00 0.00 0.00 173.10 169.91 2k5n s THR 6 N -3.55 3.75 -0.35 0.90 2.01 0.11 -0.49 115.64 118.01 2k5n s THR 6 Ca 0.21 -0.45 -0.29 0.00 0.31 0.00 0.00 61.69 61.46 2k5n s THR 6 Cb 0.05 -2.55 0.02 0.00 0.01 0.00 0.00 72.50 70.03 2k5n s THR 6 CO 0.02 0.59 1.12 -0.63 -0.69 0.00 0.00 174.62 175.03 2k5n s ILE 7 N -0.66 4.40 -0.04 1.82 1.01 -0.58 -1.94 121.20 125.20 2k5n s ILE 7 Ca 0.10 1.57 -0.06 0.00 0.00 0.00 0.00 60.65 62.27 2k5n s ILE 7 Cb -0.11 -4.43 -0.03 0.00 0.01 0.00 0.00 42.46 37.90 2k5n s ILE 7 CO 0.02 -0.60 -0.12 0.35 0.00 0.00 0.00 174.94 174.58 2k5n n THR 8 N 6.13 0.97 -3.87 2.92 -2.24 -1.20 -0.64 114.28 116.35 2k5n n THR 8 Ca 0.12 0.11 -0.36 0.00 -2.27 0.00 0.00 64.05 61.66 2k5n n THR 8 Cb 0.47 -1.75 -0.11 0.00 -2.10 0.00 0.00 70.33 66.84 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 -2.25 4.61 -0.29 4.28 2.01 -0.86 -4.91 115.64 118.23 2k5n s THR 9 Ca -0.12 -0.08 -0.14 0.00 0.31 0.00 0.00 61.69 61.66 2k5n s THR 9 Cb 0.03 -3.12 0.10 0.00 0.01 0.00 0.00 72.50 69.51 2k5n s THR 9 CO 0.16 0.38 0.68 0.86 -0.69 0.00 0.00 174.62 176.01 2k5n s TRP 10 N 1.07 -1.16 -0.40 4.92 -0.11 -1.26 0.46 118.94 122.46 2k5n s TRP 10 Ca 0.04 2.20 -0.04 0.00 1.22 0.00 0.00 56.10 59.52 2k5n s TRP 10 Cb -0.14 0.69 0.10 0.00 -1.50 0.00 0.00 33.47 32.62 2k5n s TRP 10 CO 0.03 -0.57 0.19 -0.06 -4.62 0.00 0.00 176.95 171.92 2k5n s PHE 11 N 2.04 3.50 0.24 5.86 0.08 0.49 -4.96 117.98 125.22 2k5n s PHE 11 Ca -0.09 -2.17 0.09 0.00 0.12 0.00 0.00 56.93 54.88 2k5n s PHE 11 Cb -0.07 -3.05 0.23 0.00 -0.57 0.00 0.00 43.02 39.56 2k5n s PHE 11 CO -0.20 -0.93 1.54 -0.22 -0.10 0.00 0.00 175.22 175.31 2k5n h LYS 12 N 8.12 0.03 -0.79 0.44 3.11 -1.96 0.47 116.57 125.99 2k5n h LYS 12 Ca -0.16 -0.03 0.00 0.00 -2.81 0.00 0.00 60.65 57.66 2k5n h LYS 12 Cb 1.06 0.01 -0.04 0.00 -1.00 0.00 0.00 32.23 32.25 2k5n h LYS 12 CO 0.69 0.71 0.51 0.22 -2.81 0.00 0.00 179.45 178.78 2k5n h ASP 13 N 0.02 0.92 0.00 4.20 1.82 -1.96 -3.29 116.42 118.13 2k5n h ASP 13 Ca -0.01 -0.04 -0.21 0.00 -0.39 0.00 0.00 57.03 56.39 2k5n h ASP 13 Cb 1.23 -0.23 -0.03 0.00 0.68 0.00 0.00 39.33 40.98 2k5n h ASP 13 CO 0.09 0.68 -1.20 0.29 -1.61 0.00 0.00 179.24 177.49 2k5n n LYS 14 N -4.52 0.55 0.00 0.28 4.76 -1.15 -5.04 118.16 113.03 2k5n n LYS 14 Ca 0.08 0.56 0.00 0.00 -2.87 0.00 0.00 58.31 56.07 2k5n n LYS 14 Cb 0.03 -1.73 0.00 0.00 -1.84 0.00 0.00 35.03 31.49 2k5n n LYS 14 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2k5n n GLY 15 N 1.45 1.26 3.42 0.72 0.00 0.16 -4.96 105.19 107.24 2k5n n GLY 15 Ca -0.29 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.63 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 0.41 -2.12 1.61 -0.12 -1.07 0.42 117.98 115.12 2k5n s PHE 16 Ca 0.00 -0.76 0.00 0.00 -0.05 0.00 0.00 56.93 56.12 2k5n s PHE 16 Cb 0.00 0.01 0.00 0.00 -0.63 0.00 0.00 43.02 42.40 2k5n s PHE 16 CO 0.00 -0.81 0.00 0.41 -0.05 0.00 0.00 175.22 174.77 2k5n n GLY 17 N -0.28 -0.55 2.80 1.99 0.00 -0.95 -0.38 105.19 107.82 2k5n n GLY 17 Ca -0.05 -0.82 -0.18 0.00 0.00 0.00 0.00 46.02 44.97 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 0.30 -0.09 1.61 0.08 0.17 -1.20 117.98 115.86 2k5n s PHE 18 Ca 0.00 0.02 0.03 0.00 0.12 0.00 0.00 56.93 57.10 2k5n s PHE 18 Cb 0.00 -0.44 -0.01 0.00 -0.57 0.00 0.00 43.02 42.00 2k5n s PHE 18 CO 0.00 -0.15 -0.20 0.42 -0.10 0.00 0.00 175.22 175.19 2k5n s ILE 19 N 1.23 2.50 -0.14 0.64 1.01 -1.10 -2.02 121.20 123.32 2k5n s ILE 19 Ca -0.07 -0.88 -0.02 0.00 0.00 0.00 0.00 60.65 59.68 2k5n s ILE 19 Cb -0.13 -1.98 -0.02 0.00 0.01 0.00 0.00 42.46 40.34 2k5n s ILE 19 CO -0.02 0.55 -0.09 -0.75 0.00 0.00 0.00 174.94 174.64 2k5n s LYS 20 N 0.09 3.51 0.05 2.79 2.20 -0.82 -1.73 119.74 125.83 2k5n s LYS 20 Ca -0.09 -0.61 -0.00 0.00 -0.36 0.00 0.00 55.97 54.91 2k5n s LYS 20 Cb -0.15 -2.76 0.01 0.00 -1.51 0.00 0.00 37.83 33.42 2k5n s LYS 20 CO 0.06 0.24 0.07 -0.40 -0.36 0.00 0.00 175.35 174.96 2k5n n ASP 21 N 3.50 0.09 -0.08 1.43 5.75 -1.19 0.06 116.55 126.12 2k5n n ASP 21 Ca -0.18 -1.08 0.08 0.00 -0.01 0.00 0.00 54.79 53.61 2k5n n ASP 21 Cb 0.53 -0.05 -0.08 0.00 -1.03 0.00 0.00 41.12 40.49 2k5n n ASP 21 CO 0.00 0.00 0.00 1.21 -0.11 0.00 0.00 177.20 178.30 2k5n n GLU 22 N -1.13 1.27 -0.11 0.11 2.13 -1.24 -4.49 120.64 117.18 2k5n n GLU 22 Ca 0.01 -0.17 -0.23 0.00 0.66 0.00 0.00 57.16 57.43 2k5n n GLU 22 Cb 0.04 -1.33 -0.12 0.00 0.27 0.00 0.00 31.44 30.30 2k5n n GLU 22 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 2k5n n ASN 23 N -1.16 1.98 0.00 4.31 5.15 -1.26 -4.98 115.26 119.30 2k5n n ASN 23 Ca 0.04 0.16 0.00 0.00 -0.60 0.00 0.00 54.58 54.18 2k5n n ASN 23 Cb 0.29 -0.70 0.00 0.00 -0.53 0.00 0.00 39.78 38.85 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 1.76 0.38 0.00 8.20 0.00 -1.26 -5.17 105.19 109.09 2k5n n GLY 24 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.57 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 -4.73 1.61 -0.08 -1.26 -4.90 116.55 107.18 2k5n n ASP 25 Ca 0.00 -0.09 -0.41 0.00 -1.51 0.00 0.00 54.79 52.78 2k5n n ASP 25 Cb 0.00 0.00 -0.05 0.00 2.34 0.00 0.00 41.12 43.41 2k5n n ASP 25 CO 0.00 0.00 0.00 0.20 0.12 0.00 0.00 177.20 177.52 2k5n s ASN 26 N 1.74 7.51 0.23 1.67 -0.87 -1.26 -3.15 114.94 120.80 2k5n s ASN 26 Ca 0.00 1.86 0.11 0.00 -1.57 0.00 0.00 52.86 53.26 2k5n s ASN 26 Cb 0.00 -2.59 -0.05 0.00 -0.02 0.00 0.00 41.25 38.59 2k5n s ASN 26 CO 0.00 -0.03 -0.16 -0.13 -2.57 0.00 0.00 177.10 174.20 2k5n s ARG 27 N -0.30 1.80 -0.29 -0.60 0.52 -0.71 -4.72 118.95 114.65 2k5n s ARG 27 Ca 0.46 -1.52 -0.29 0.00 -0.52 0.00 0.00 55.73 53.86 2k5n s ARG 27 Cb -0.25 -1.94 0.01 0.00 0.52 0.00 0.00 34.95 33.30 2k5n s ARG 27 CO 0.31 0.38 1.07 -0.47 0.02 0.00 0.00 175.30 176.61 2k5n s TYR 28 N -2.01 3.19 0.20 -0.53 5.04 0.70 -2.72 117.35 121.22 2k5n s TYR 28 Ca 0.26 1.27 0.09 0.00 -2.44 0.00 0.00 57.07 56.24 2k5n s TYR 28 Cb -0.07 -3.57 -0.04 0.00 0.35 0.00 0.00 41.96 38.63 2k5n s TYR 28 CO 0.14 -0.71 -0.05 -0.06 -1.34 0.00 0.00 175.55 173.53 2k5n s PHE 29 N 3.53 2.70 -0.12 4.97 0.40 -0.34 -3.74 117.98 125.38 2k5n s PHE 29 Ca 0.45 -0.20 -0.10 0.00 -0.60 0.00 0.00 56.93 56.48 2k5n s PHE 29 Cb -0.13 -1.28 0.03 0.00 0.51 0.00 0.00 43.02 42.15 2k5n s PHE 29 CO 0.13 0.55 0.32 -1.58 0.70 0.00 0.00 175.22 175.34 2k5n s HIS 30 N -1.90 -0.37 0.52 0.36 2.46 -1.26 -2.23 115.29 112.87 2k5n s HIS 30 Ca 0.27 0.89 0.32 0.00 0.47 0.00 0.00 55.06 57.02 2k5n s HIS 30 Cb -0.08 0.13 1.47 0.00 -0.13 0.00 0.00 32.58 33.96 2k5n s HIS 30 CO 0.17 -0.19 1.83 -0.24 -2.47 0.00 0.00 174.74 173.84 2k5n h VAL 31 N 4.83 0.47 -0.00 0.89 3.04 -0.40 -1.04 116.25 124.04 2k5n h VAL 31 Ca -0.28 -0.02 -0.02 0.00 -1.01 0.00 0.00 66.70 65.36 2k5n h VAL 31 Cb 1.18 0.41 -0.00 0.00 -2.01 0.00 0.00 31.29 30.87 2k5n h VAL 31 CO 0.31 0.01 -0.09 -0.29 -1.01 0.00 0.00 177.57 176.50 2k5n h ILE 32 N 0.06 1.07 -0.51 3.17 2.10 -1.97 -1.90 117.51 119.53 2k5n h ILE 32 Ca 0.52 -0.34 0.00 0.00 1.08 0.00 0.00 64.86 66.13 2k5n h ILE 32 Cb 1.98 1.18 0.00 0.00 -1.09 0.00 0.00 36.82 38.88 2k5n h ILE 32 CO -0.05 0.10 0.00 0.29 -1.08 0.00 0.00 178.15 177.41 2k5n n LYS 33 N -4.42 2.22 -4.42 2.19 4.76 -0.39 -4.85 118.16 113.25 2k5n n LYS 33 Ca -0.03 -1.85 -0.34 0.00 -2.87 0.00 0.00 58.31 53.22 2k5n n LYS 33 Cb 0.17 -1.41 -0.11 0.00 -1.84 0.00 0.00 35.03 31.83 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 -1.34 3.96 -0.20 -0.18 1.01 -0.72 -1.02 120.40 121.91 2k5n s VAL 34 Ca 0.34 -0.35 0.17 0.00 0.00 0.00 0.00 61.98 62.15 2k5n s VAL 34 Cb 0.18 -2.71 0.06 0.00 0.00 0.00 0.00 36.38 33.91 2k5n s VAL 34 CO 0.23 0.53 1.31 0.00 0.00 0.00 0.00 175.10 177.17 2k5n h ALA 35 N 6.24 0.70 -2.11 5.51 0.00 -1.52 -3.38 119.26 124.71 2k5n h ALA 35 Ca -0.37 -0.42 -0.57 0.00 0.00 0.00 0.00 54.91 53.55 2k5n h ALA 35 Cb 1.19 0.01 -0.40 0.00 0.00 0.00 0.00 17.79 18.59 2k5n h ALA 35 CO 0.60 0.53 -0.99 0.27 0.00 0.00 0.00 179.25 179.67 2k5n n ASN 36 N -3.09 0.83 0.22 0.00 6.94 -1.26 -4.98 115.26 113.91 2k5n n ASN 36 Ca -0.00 -2.80 0.11 0.00 -0.02 0.00 0.00 54.58 51.86 2k5n n ASN 36 Cb 0.71 -0.64 0.30 0.00 -2.36 0.00 0.00 39.78 37.79 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 4.26 0.00 -0.00 -0.53 0.13 -1.89 -2.94 132.00 131.03 2k5n h PRO 37 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 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 0.53 0.13 -0.07 -3.47 -0.23 0.00 0.00 178.00 174.89 2k5n n ASP 38 N -3.17 0.08 -0.27 1.44 2.03 -1.26 -2.40 116.55 113.00 2k5n n ASP 38 Ca 0.02 0.32 0.12 0.00 0.52 0.00 0.00 54.79 55.77 2k5n n ASP 38 Cb 0.50 -0.37 0.23 0.00 -0.72 0.00 0.00 41.12 40.76 2k5n n ASP 38 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 2k5n n LEU 39 N -1.47 1.23 -4.61 -2.67 4.77 -1.11 -4.84 117.00 108.31 2k5n n LEU 39 Ca 0.08 -0.38 -0.43 0.00 -0.03 0.00 0.00 56.01 55.25 2k5n n LEU 39 Cb 0.33 -0.10 -0.02 0.00 -2.33 0.00 0.00 43.42 41.30 2k5n n LEU 39 CO 0.28 0.24 1.37 -0.63 -1.33 0.00 0.00 177.39 177.31 2k5n s ILE 40 N -2.59 3.72 0.07 -0.08 1.01 -1.01 -4.93 121.20 117.39 2k5n s ILE 40 Ca 0.20 0.75 0.01 0.00 0.00 0.00 0.00 60.65 61.61 2k5n s ILE 40 Cb 0.19 -3.88 -0.04 0.00 0.01 0.00 0.00 42.46 38.74 2k5n s ILE 40 CO 0.58 -0.51 -0.05 -0.54 0.00 0.00 0.00 174.94 174.42 2k5n s LYS 41 N 5.09 0.66 0.31 2.79 1.02 -1.26 -5.04 119.74 123.31 2k5n s LYS 41 Ca 0.70 -1.12 -0.30 0.00 0.02 0.00 0.00 55.97 55.28 2k5n s LYS 41 Cb -0.20 -0.07 -0.11 0.00 -0.52 0.00 0.00 37.83 36.93 2k5n s LYS 41 CO 0.32 -0.04 1.59 1.17 -0.92 0.00 0.00 175.35 177.47 2k5n n LYS 42 N 0.45 2.74 -0.93 1.68 0.00 -1.26 -2.09 118.16 118.75 2k5n n LYS 42 Ca -0.16 0.97 0.00 0.00 0.00 0.00 0.00 58.31 59.12 2k5n n LYS 42 Cb 0.59 -2.75 0.00 0.00 0.00 0.00 0.00 35.03 32.87 2k5n n LYS 42 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 2k5n n ASP 43 N 1.82 -1.68 -4.87 3.14 2.03 0.19 -4.97 116.55 112.20 2k5n n ASP 43 Ca 0.07 0.00 -0.30 0.00 0.52 0.00 0.00 54.79 55.07 2k5n n ASP 43 Cb 0.37 -0.91 -0.02 0.00 -0.72 0.00 0.00 41.12 39.84 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 -2.58 3.24 -0.12 -1.67 0.00 -0.89 -4.76 121.76 114.98 2k5n s ALA 44 Ca 0.00 -0.13 -0.08 0.00 0.00 0.00 0.00 51.96 51.75 2k5n s ALA 44 Cb 0.00 -2.86 -0.04 0.00 0.00 0.00 0.00 23.12 20.22 2k5n s ALA 44 CO 0.00 -0.24 0.17 0.00 0.00 0.00 0.00 175.76 175.69 2k5n s ALA 45 N -2.64 3.83 0.20 0.00 0.00 -1.26 -1.53 121.76 120.36 2k5n s ALA 45 Ca 0.53 -0.60 0.03 0.00 0.00 0.00 0.00 51.96 51.92 2k5n s ALA 45 Cb -0.10 -2.05 -0.05 0.00 0.00 0.00 0.00 23.12 20.92 2k5n s ALA 45 CO 0.37 0.52 -0.01 0.14 0.00 0.00 0.00 175.76 176.78 2k5n s VAL 46 N -0.79 0.93 -0.01 0.00 -7.23 0.36 -0.59 120.40 113.07 2k5n s VAL 46 Ca 0.15 -2.02 0.05 0.00 -1.81 0.00 0.00 61.98 58.35 2k5n s VAL 46 Cb -0.12 -2.21 -0.01 0.00 0.56 0.00 0.00 36.38 34.59 2k5n s VAL 46 CO 0.04 -0.42 -0.16 0.42 -0.31 0.00 0.00 175.10 174.67 2k5n s THR 47 N -3.49 1.25 0.15 5.32 -4.23 0.09 -0.44 115.64 114.30 2k5n s THR 47 Ca 0.26 -0.72 -0.14 0.00 -1.18 0.00 0.00 61.69 59.91 2k5n s THR 47 Cb 0.05 -1.05 0.02 0.00 1.34 0.00 0.00 72.50 72.86 2k5n s THR 47 CO 0.06 0.32 0.38 0.72 -0.54 0.00 0.00 174.62 175.56 2k5n s PHE 48 N -0.42 0.04 0.02 3.99 -0.12 -0.95 -1.29 117.98 119.25 2k5n s PHE 48 Ca 0.06 -0.39 -0.11 0.00 -0.05 0.00 0.00 56.93 56.44 2k5n s PHE 48 Cb -0.06 0.17 -0.05 0.00 -0.63 0.00 0.00 43.02 42.44 2k5n s PHE 48 CO -0.00 -0.75 0.36 -1.21 -0.05 0.00 0.00 175.22 173.56 2k5n s GLU 49 N -3.88 3.76 0.30 1.99 0.41 0.23 -1.55 118.70 119.96 2k5n s GLU 49 Ca 0.09 0.19 -0.27 0.00 -0.41 0.00 0.00 54.97 54.57 2k5n s GLU 49 Cb 0.02 -3.10 -0.10 0.00 -1.78 0.00 0.00 34.13 29.17 2k5n s GLU 49 CO -0.06 0.64 0.96 -1.25 -0.49 0.00 0.00 175.26 175.06 2k5n s PRO 50 N -1.53 4.64 0.30 0.39 0.04 -1.26 -1.49 135.00 136.09 2k5n s PRO 50 Ca 0.27 1.42 -0.19 0.00 0.04 0.00 0.00 61.00 62.54 2k5n s PRO 50 Cb -0.15 -2.95 0.06 0.00 0.04 0.00 0.00 34.50 31.51 2k5n s PRO 50 CO 0.15 0.32 0.87 -0.08 0.04 0.00 0.00 177.00 178.30 2k5n s THR 51 N -1.46 0.00 0.20 1.26 -1.32 -0.77 -4.86 115.64 108.68 2k5n s THR 51 Ca 0.48 -0.85 0.10 0.00 -1.21 0.00 0.00 61.69 60.21 2k5n s THR 51 Cb -0.22 -2.74 -0.04 0.00 -1.51 0.00 0.00 72.50 67.99 2k5n s THR 51 CO 0.27 0.00 -0.12 -0.89 -2.21 0.00 0.00 174.62 171.67 2k5n s THR 52 N -2.49 3.00 0.25 5.08 2.01 -1.26 -1.99 115.64 120.24 2k5n s THR 52 Ca 0.17 -1.80 0.02 0.00 0.31 0.00 0.00 61.69 60.39 2k5n s THR 52 Cb -0.04 -2.49 -0.05 0.00 0.01 0.00 0.00 72.50 69.92 2k5n s THR 52 CO 0.08 -0.15 0.06 0.21 -0.69 0.00 0.00 174.62 174.14 2k5n s ASN 53 N -2.90 1.51 0.18 3.53 3.84 0.59 -4.66 114.94 117.02 2k5n s ASN 53 Ca 0.25 -1.33 -0.07 0.00 0.21 0.00 0.00 52.86 51.92 2k5n s ASN 53 Cb -0.08 0.09 0.09 0.00 -0.55 0.00 0.00 41.25 40.79 2k5n s ASN 53 CO 0.14 -0.65 1.58 -1.13 -2.79 0.00 0.00 177.10 174.25 2k5n h ASN 54 N 2.39 0.91 0.05 -4.21 -0.73 -2.01 -3.10 115.58 108.89 2k5n h ASN 54 Ca -0.38 -0.35 0.00 0.00 1.87 0.00 0.00 56.30 57.44 2k5n h ASN 54 Cb 1.24 -0.25 0.00 0.00 0.27 0.00 0.00 38.32 39.58 2k5n h ASN 54 CO 0.63 1.10 -0.10 2.29 -0.37 0.00 0.00 177.43 180.99 2k5n n LYS 55 N -4.10 1.50 0.00 6.67 2.85 -1.26 -5.02 118.16 118.80 2k5n n LYS 55 Ca -0.00 -0.96 0.00 0.00 -1.05 0.00 0.00 58.31 56.29 2k5n n LYS 55 Cb 0.46 -1.48 0.00 0.00 -0.65 0.00 0.00 35.03 33.36 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 1.26 -0.35 3.92 2.58 0.00 -1.17 -5.08 105.19 106.34 2k5n n GLY 56 Ca 0.16 -0.37 -0.25 0.00 0.00 0.00 0.00 46.02 45.55 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 4.23 0.24 0.99 1.43 -1.26 -0.30 118.68 124.00 2k5n s LEU 57 Ca 0.00 0.09 -0.09 0.00 -1.03 0.00 0.00 54.13 53.10 2k5n s LEU 57 Cb 0.00 -2.80 -0.02 0.00 0.03 0.00 0.00 46.19 43.40 2k5n s LEU 57 CO 0.00 0.03 0.37 -0.94 0.23 0.00 0.00 176.35 176.05 2k5n s SER 58 N -3.34 0.02 0.05 2.29 1.04 -0.84 -0.22 113.70 112.70 2k5n s SER 58 Ca 0.34 -1.09 0.02 0.00 0.48 0.00 0.00 55.95 55.70 2k5n s SER 58 Cb -0.10 0.53 -0.03 0.00 0.10 0.00 0.00 66.02 66.52 2k5n s SER 58 CO 0.28 -1.05 -0.08 0.00 0.98 0.00 0.00 173.24 173.36 2k5n s ALA 59 N -4.03 0.68 0.39 5.32 0.00 -1.25 -1.84 121.76 121.03 2k5n s ALA 59 Ca 0.28 -0.85 0.06 0.00 0.00 0.00 0.00 51.96 51.44 2k5n s ALA 59 Cb 0.02 0.04 -0.07 0.00 0.00 0.00 0.00 23.12 23.10 2k5n s ALA 59 CO 0.10 -0.02 0.03 0.71 0.00 0.00 0.00 175.76 176.58 2k5n s TYR 60 N -1.60 2.33 -1.18 0.00 2.02 -0.55 -4.85 117.35 113.51 2k5n s TYR 60 Ca -0.07 -0.77 -0.19 0.00 -0.37 0.00 0.00 57.07 55.67 2k5n s TYR 60 Cb -0.08 -1.62 -0.00 0.00 -0.40 0.00 0.00 41.96 39.85 2k5n s TYR 60 CO 0.00 0.31 0.73 0.00 -1.57 0.00 0.00 175.55 175.02 2k5n n ALA 61 N -0.89 -2.48 -2.64 3.71 0.00 -1.22 -0.60 120.51 116.39 2k5n n ALA 61 Ca -0.05 -0.27 -0.42 0.00 0.00 0.00 0.00 53.44 52.71 2k5n n ALA 61 Cb 0.67 -3.63 -0.04 0.00 0.00 0.00 0.00 19.45 16.44 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 -3.54 4.86 -0.10 0.00 1.01 -0.19 -4.27 120.40 118.17 2k5n s VAL 62 Ca 0.41 1.52 0.02 0.00 0.00 0.00 0.00 61.98 63.93 2k5n s VAL 62 Cb -0.15 -4.10 0.01 0.00 0.00 0.00 0.00 36.38 32.14 2k5n s VAL 62 CO 0.87 -0.05 -0.18 -1.59 0.00 0.00 0.00 175.10 174.16 2k5n s LYS 63 N 2.73 2.42 0.45 2.72 0.00 -0.41 -1.37 119.74 126.27 2k5n s LYS 63 Ca 0.34 -0.64 -0.19 0.00 0.00 0.00 0.00 55.97 55.48 2k5n s LYS 63 Cb -0.15 -1.97 -0.10 0.00 0.00 0.00 0.00 37.83 35.61 2k5n s LYS 63 CO 0.08 0.01 0.94 0.08 0.00 0.00 0.00 175.35 176.46 2k5n s VAL 64 N 0.77 4.46 -0.77 1.79 1.01 -1.26 -0.73 120.40 125.67 2k5n s VAL 64 Ca -0.11 1.34 -0.07 0.00 0.00 0.00 0.00 61.98 63.14 2k5n s VAL 64 Cb -0.16 -3.64 0.20 0.00 0.00 0.00 0.00 36.38 32.78 2k5n s VAL 64 CO 0.02 -0.42 0.65 -0.69 0.00 0.00 0.00 175.10 174.66 2k5n s VAL 65 N -2.30 4.68 0.35 2.92 1.01 0.24 -4.91 120.40 122.39 2k5n s VAL 65 Ca 0.60 -2.93 -0.26 0.00 0.00 0.00 0.00 61.98 59.39 2k5n s VAL 65 Cb -0.09 -3.94 -0.09 0.00 0.00 0.00 0.00 36.38 32.26 2k5n s VAL 65 CO 0.19 -0.98 1.06 -2.16 0.00 0.00 0.00 175.10 173.20 2k5n s PRO 66 N -0.23 4.36 0.00 2.72 0.04 -1.26 -4.55 135.00 136.07 2k5n s PRO 66 Ca 0.20 1.60 0.28 0.00 0.04 0.00 0.00 61.00 63.11 2k5n s PRO 66 Cb -0.14 -2.79 1.07 0.00 0.04 0.00 0.00 34.50 32.68 2k5n s PRO 66 CO -0.07 0.01 1.79 1.28 0.04 0.00 0.00 177.00 180.05 2k5n n LEU 67 N 0.42 0.28 -3.97 -3.56 4.77 -1.26 -4.86 117.00 108.82 2k5n n LEU 67 Ca 0.03 0.20 -0.09 0.00 -0.03 0.00 0.00 56.01 56.11 2k5n n LEU 67 Cb 0.48 -0.32 -0.08 0.00 -2.33 0.00 0.00 43.42 41.17 2k5n n LEU 67 CO 0.48 0.06 -0.11 -1.61 -1.33 0.00 0.00 177.39 174.88 2k5n s GLU 68 N -2.80 0.99 -0.48 3.23 0.41 -1.26 -5.13 118.70 113.66 2k5n s GLU 68 Ca 0.19 -1.16 0.03 0.00 -0.41 0.00 0.00 54.97 53.63 2k5n s GLU 68 Cb 0.19 0.33 0.13 0.00 -1.78 0.00 0.00 34.13 33.01 2k5n s GLU 68 CO 0.55 -0.33 0.26 -1.01 -0.49 0.00 0.00 175.26 174.24 2k5n s HIS 69 N -3.95 2.58 -0.00 1.61 3.76 -1.26 -5.09 115.29 112.94 2k5n s HIS 69 Ca 0.14 -2.80 0.02 0.00 -0.15 0.00 0.00 55.06 52.27 2k5n s HIS 69 Cb 0.05 -2.34 -0.03 0.00 1.11 0.00 0.00 32.58 31.37 2k5n s HIS 69 CO -0.04 -0.76 -0.03 -1.01 -0.85 0.00 0.00 174.74 172.06 2k5n s HIS 70 N -0.00 3.00 0.12 1.40 3.76 -1.26 -5.09 115.29 117.21 2k5n s HIS 70 Ca 0.18 0.03 -0.30 0.00 -0.15 0.00 0.00 55.06 54.82 2k5n s HIS 70 Cb -0.24 -1.65 -0.06 0.00 1.11 0.00 0.00 32.58 31.74 2k5n s HIS 70 CO -0.00 0.42 1.05 -3.38 -0.85 0.00 0.00 174.74 171.98 2k5n s HIS 71 N -1.05 3.66 -0.37 1.40 -3.43 -1.26 -5.01 115.29 109.23 2k5n s HIS 71 Ca 0.18 1.64 0.00 0.00 -0.80 0.00 0.00 55.06 56.08 2k5n s HIS 71 Cb -0.11 -3.20 0.13 0.00 -1.43 0.00 0.00 32.58 27.96 2k5n s HIS 71 CO 0.09 -0.35 0.19 -1.01 -2.00 0.00 0.00 174.74 171.66 2k5n s HIS 72 N 0.18 1.34 -0.27 0.38 3.76 -1.26 -5.10 115.29 114.32 2k5n s HIS 72 Ca 0.50 -1.86 -0.23 0.00 -0.15 0.00 0.00 55.06 53.32 2k5n s HIS 72 Cb -0.26 -1.43 0.08 0.00 1.11 0.00 0.00 32.58 32.07 2k5n s HIS 72 CO 0.31 -0.82 0.74 -1.58 -0.85 0.00 0.00 174.74 172.54 2k5n s HIS 73 N 1.02 -0.83 -2.11 1.40 5.04 -1.26 -5.20 115.29 113.35 2k5n s HIS 73 Ca 0.15 1.92 0.31 0.00 -1.54 0.00 0.00 55.06 55.90 2k5n s HIS 73 Cb -0.22 0.36 1.71 0.00 0.04 0.00 0.00 32.58 34.47 2k5n s HIS 73 CO -0.08 -0.40 2.12 1.58 -2.34 0.00 0.00 174.74 175.62