#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 3.66 0.24 3.04 0.00 -1.26 -4.55 121.76 122.88 2k5n s ALA 2 Ca 0.00 1.13 0.09 0.00 0.00 0.00 0.00 51.96 53.18 2k5n s ALA 2 Cb 0.00 -3.69 -0.04 0.00 0.00 0.00 0.00 23.12 19.39 2k5n s ALA 2 CO 0.00 -1.13 -0.03 -1.64 0.00 0.00 0.00 175.76 172.96 2k5n s MET 3 N 2.84 2.24 -0.08 0.00 -1.94 0.09 -4.87 119.30 117.58 2k5n s MET 3 Ca 0.73 -1.36 -0.02 0.00 -1.71 0.00 0.00 55.69 53.33 2k5n s MET 3 Cb -0.38 -2.17 -0.03 0.00 2.01 0.00 0.00 34.83 34.25 2k5n s MET 3 CO 0.31 0.39 0.02 0.54 -0.01 0.00 0.00 175.02 176.27 2k5n s ASN 4 N -3.42 5.37 0.22 3.03 4.22 -1.26 -1.13 114.94 121.97 2k5n s ASN 4 Ca 0.30 0.17 -0.00 0.00 -2.14 0.00 0.00 52.86 51.19 2k5n s ASN 4 Cb -0.07 -1.54 -0.04 0.00 1.28 0.00 0.00 41.25 40.88 2k5n s ASN 4 CO 0.19 0.37 0.13 -0.83 -2.04 0.00 0.00 177.10 174.92 2k5n s GLY 5 N -0.97 1.56 -0.07 0.45 0.00 0.67 -3.14 107.32 105.82 2k5n s GLY 5 Ca 0.14 -1.75 0.04 0.00 0.00 0.00 0.00 44.72 43.15 2k5n s GLY 5 CO 0.03 -1.45 -0.21 -1.59 0.00 0.00 0.00 173.10 169.88 2k5n s THR 6 N -4.03 2.41 -0.19 0.90 2.01 0.65 -0.55 115.64 116.85 2k5n s THR 6 Ca 0.39 -0.93 -0.29 0.00 0.31 0.00 0.00 61.69 61.16 2k5n s THR 6 Cb 0.07 -1.91 -0.00 0.00 0.01 0.00 0.00 72.50 70.66 2k5n s THR 6 CO 0.13 0.57 1.14 -0.63 -0.69 0.00 0.00 174.62 175.14 2k5n s ILE 7 N -0.15 4.50 -0.15 1.82 1.01 -0.62 -1.45 121.20 126.16 2k5n s ILE 7 Ca -0.03 1.81 -0.09 0.00 0.00 0.00 0.00 60.65 62.34 2k5n s ILE 7 Cb -0.14 -4.17 -0.07 0.00 0.01 0.00 0.00 42.46 38.10 2k5n s ILE 7 CO 0.04 -0.14 -0.22 0.35 0.00 0.00 0.00 174.94 174.97 2k5n n THR 8 N 5.26 1.04 -4.89 2.92 -2.24 -1.12 -1.01 114.28 114.24 2k5n n THR 8 Ca 0.13 -0.14 -0.31 0.00 -2.27 0.00 0.00 64.05 61.46 2k5n n THR 8 Cb 0.46 -1.80 -0.17 0.00 -2.10 0.00 0.00 70.33 66.72 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 -2.36 1.91 -0.08 4.28 2.01 -0.88 -4.85 115.64 115.67 2k5n s THR 9 Ca -0.23 -0.92 -0.02 0.00 0.31 0.00 0.00 61.69 60.83 2k5n s THR 9 Cb 0.08 -1.68 0.04 0.00 0.01 0.00 0.00 72.50 70.94 2k5n s THR 9 CO 0.29 0.53 0.05 0.86 -0.69 0.00 0.00 174.62 175.66 2k5n s TRP 10 N 0.61 0.28 -0.96 4.92 -0.11 -1.26 0.62 118.94 123.03 2k5n s TRP 10 Ca -0.13 -0.00 -0.17 0.00 1.22 0.00 0.00 56.10 57.01 2k5n s TRP 10 Cb -0.17 -0.62 0.15 0.00 -1.50 0.00 0.00 33.47 31.33 2k5n s TRP 10 CO 0.03 -0.30 1.14 -0.06 -4.62 0.00 0.00 176.95 173.14 2k5n s PHE 11 N 2.10 3.26 0.33 5.86 0.08 0.35 -4.84 117.98 125.12 2k5n s PHE 11 Ca 0.04 -1.59 0.06 0.00 0.12 0.00 0.00 56.93 55.57 2k5n s PHE 11 Cb -0.13 -4.23 0.58 0.00 -0.57 0.00 0.00 43.02 38.66 2k5n s PHE 11 CO -0.05 -1.42 1.80 -0.22 -0.10 0.00 0.00 175.22 175.24 2k5n h LYS 12 N 8.44 0.33 -0.12 0.44 3.64 -1.98 0.21 116.57 127.53 2k5n h LYS 12 Ca 0.18 -0.11 -0.05 0.00 -1.27 0.00 0.00 60.65 59.40 2k5n h LYS 12 Cb 1.00 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.78 2k5n h LYS 12 CO 1.09 0.54 -0.14 -0.44 -2.27 0.00 0.00 179.45 178.24 2k5n h ASP 13 N 0.30 0.18 0.00 4.20 5.19 -1.94 -3.33 116.42 121.02 2k5n h ASP 13 Ca 0.05 -0.04 0.00 0.00 -0.62 0.00 0.00 57.03 56.42 2k5n h ASP 13 Cb 0.56 -0.05 0.00 0.00 0.18 0.00 0.00 39.33 40.03 2k5n h ASP 13 CO 0.04 0.34 -0.57 0.29 -3.12 0.00 0.00 179.24 176.22 2k5n n LYS 14 N -4.28 0.43 0.00 3.56 4.01 -0.60 -5.04 118.16 116.24 2k5n n LYS 14 Ca -0.01 0.43 0.00 0.00 -0.51 0.00 0.00 58.31 58.22 2k5n n LYS 14 Cb 0.26 -1.56 0.00 0.00 -0.51 0.00 0.00 35.03 33.22 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 1.59 1.18 3.26 0.72 0.00 0.63 -5.07 105.19 107.50 2k5n n GLY 15 Ca -0.08 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.54 1.24 0.00 1.61 -0.12 -1.21 -0.40 117.98 117.56 2k5n s PHE 16 Ca 0.00 -1.39 0.00 0.00 -0.05 0.00 0.00 56.93 55.49 2k5n s PHE 16 Cb 0.00 -0.52 0.00 0.00 -0.63 0.00 0.00 43.02 41.87 2k5n s PHE 16 CO 0.00 -0.74 0.00 0.41 -0.05 0.00 0.00 175.22 174.84 2k5n n GLY 17 N -0.37 1.52 2.86 1.99 0.00 0.04 -0.50 105.19 110.73 2k5n n GLY 17 Ca 0.03 -0.74 -0.14 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 -3.30 -0.05 -0.01 1.61 0.08 0.20 -0.45 117.98 116.06 2k5n s PHE 18 Ca 0.00 0.23 0.04 0.00 0.12 0.00 0.00 56.93 57.32 2k5n s PHE 18 Cb 0.00 -0.12 -0.01 0.00 -0.57 0.00 0.00 43.02 42.32 2k5n s PHE 18 CO 0.00 -0.09 -0.12 0.42 -0.10 0.00 0.00 175.22 175.33 2k5n s ILE 19 N 0.81 0.93 -0.30 0.64 1.01 -1.10 -2.08 121.20 121.12 2k5n s ILE 19 Ca -0.06 -0.50 -0.11 0.00 0.00 0.00 0.00 60.65 59.97 2k5n s ILE 19 Cb -0.09 -0.79 -0.04 0.00 0.01 0.00 0.00 42.46 41.55 2k5n s ILE 19 CO -0.03 0.27 0.20 -0.75 0.00 0.00 0.00 174.94 174.63 2k5n s LYS 20 N -0.22 3.82 0.11 2.79 2.36 -0.53 -1.84 119.74 126.24 2k5n s LYS 20 Ca 0.04 -0.41 0.02 0.00 -2.55 0.00 0.00 55.97 53.06 2k5n s LYS 20 Cb -0.05 -3.70 0.02 0.00 -1.05 0.00 0.00 37.83 33.05 2k5n s LYS 20 CO -0.00 -0.25 0.14 -0.40 1.55 0.00 0.00 175.35 176.38 2k5n n ASP 21 N 5.07 0.62 0.27 1.43 5.75 -1.17 -0.25 116.55 128.27 2k5n n ASP 21 Ca -0.14 -1.32 0.14 0.00 -0.01 0.00 0.00 54.79 53.47 2k5n n ASP 21 Cb 0.51 -0.07 0.73 0.00 -1.03 0.00 0.00 41.12 41.27 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 0.00 0.00 0.11 5.08 -1.90 -2.16 114.58 115.71 2k5n h GLU 22 Ca -0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 2k5n h GLU 22 Cb 0.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.50 2k5n h GLU 22 CO 0.08 0.10 0.00 0.09 -1.00 0.00 0.00 179.01 178.29 2k5n n ASN 23 N -3.45 0.49 0.00 1.42 3.02 -1.26 -4.86 115.26 110.62 2k5n n ASN 23 Ca -0.01 0.62 0.00 0.00 -0.03 0.00 0.00 54.58 55.15 2k5n n ASN 23 Cb 0.26 -0.72 0.00 0.00 -0.61 0.00 0.00 39.78 38.71 2k5n n ASN 23 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2k5n n GLY 24 N 0.08 0.70 2.69 7.41 0.00 -0.81 -5.06 105.19 110.20 2k5n n GLY 24 Ca 0.03 -0.70 -0.22 0.00 0.00 0.00 0.00 46.02 45.13 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 1.40 1.77 -3.96 1.61 -0.08 -1.26 -5.01 116.55 111.03 2k5n n ASP 25 Ca 0.00 -2.71 -0.28 0.00 -1.51 0.00 0.00 54.79 50.29 2k5n n ASP 25 Cb 0.17 0.64 -0.17 0.00 2.34 0.00 0.00 41.12 44.10 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 -3.03 2.35 0.14 1.67 3.84 -1.26 -3.02 114.94 115.63 2k5n s ASN 26 Ca 0.11 -0.37 0.04 0.00 0.21 0.00 0.00 52.86 52.85 2k5n s ASN 26 Cb 0.01 -0.97 -0.04 0.00 -0.55 0.00 0.00 41.25 39.70 2k5n s ASN 26 CO 0.08 -0.08 0.13 -0.13 -2.79 0.00 0.00 177.10 174.30 2k5n s ARG 27 N 1.56 2.94 -0.33 0.43 0.52 -0.77 -4.90 118.95 118.40 2k5n s ARG 27 Ca 0.04 -0.79 -0.29 0.00 -0.52 0.00 0.00 55.73 54.17 2k5n s ARG 27 Cb -0.13 -2.70 0.02 0.00 0.52 0.00 0.00 34.95 32.66 2k5n s ARG 27 CO -0.08 0.51 1.06 -0.47 0.02 0.00 0.00 175.30 176.34 2k5n s TYR 28 N -1.64 3.13 0.14 -0.53 5.04 -0.16 -2.70 117.35 120.62 2k5n s TYR 28 Ca 0.31 1.13 0.05 0.00 -2.44 0.00 0.00 57.07 56.12 2k5n s TYR 28 Cb -0.11 -3.72 -0.04 0.00 0.35 0.00 0.00 41.96 38.45 2k5n s TYR 28 CO 0.23 -0.79 0.07 -0.06 -1.34 0.00 0.00 175.55 173.66 2k5n s PHE 29 N 3.67 3.06 -0.14 4.97 0.40 0.40 -4.18 117.98 126.16 2k5n s PHE 29 Ca 0.45 -0.03 -0.12 0.00 -0.60 0.00 0.00 56.93 56.63 2k5n s PHE 29 Cb -0.12 -1.51 0.04 0.00 0.51 0.00 0.00 43.02 41.94 2k5n s PHE 29 CO 0.16 0.51 0.38 -1.58 0.70 0.00 0.00 175.22 175.39 2k5n s HIS 30 N -1.59 -0.43 0.51 0.36 2.46 -1.26 -0.78 115.29 114.56 2k5n s HIS 30 Ca 0.29 1.04 0.34 0.00 0.47 0.00 0.00 55.06 57.19 2k5n s HIS 30 Cb -0.11 0.15 1.48 0.00 -0.13 0.00 0.00 32.58 33.97 2k5n s HIS 30 CO 0.21 -0.22 1.78 -0.24 -2.47 0.00 0.00 174.74 173.80 2k5n h VAL 31 N 4.71 0.40 0.00 0.89 3.04 -1.11 0.15 116.25 124.34 2k5n h VAL 31 Ca -0.28 -0.03 -0.03 0.00 -1.01 0.00 0.00 66.70 65.35 2k5n h VAL 31 Cb 1.18 0.32 -0.00 0.00 -2.01 0.00 0.00 31.29 30.78 2k5n h VAL 31 CO 0.28 0.01 -0.13 -0.29 -1.01 0.00 0.00 177.57 176.43 2k5n h ILE 32 N 0.07 0.86 -0.49 3.17 2.10 -1.97 -1.95 117.51 119.30 2k5n h ILE 32 Ca 0.60 -0.49 0.00 0.00 1.08 0.00 0.00 64.86 66.05 2k5n h ILE 32 Cb 2.21 1.28 0.00 0.00 -1.09 0.00 0.00 36.82 39.22 2k5n h ILE 32 CO -0.07 0.13 0.00 0.29 -1.08 0.00 0.00 178.15 177.41 2k5n n LYS 33 N -4.04 2.54 -4.23 2.19 4.76 0.04 -4.92 118.16 114.50 2k5n n LYS 33 Ca -0.02 -2.34 -0.34 0.00 -2.87 0.00 0.00 58.31 52.74 2k5n n LYS 33 Cb 0.21 -1.48 -0.11 0.00 -1.84 0.00 0.00 35.03 31.81 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 -1.21 4.30 0.13 -0.18 1.01 -0.74 -1.73 120.40 121.98 2k5n s VAL 34 Ca 0.39 -0.21 -0.03 0.00 0.00 0.00 0.00 61.98 62.13 2k5n s VAL 34 Cb 0.22 -2.90 -0.18 0.00 0.00 0.00 0.00 36.38 33.51 2k5n s VAL 34 CO 0.29 0.49 1.31 0.00 0.00 0.00 0.00 175.10 177.19 2k5n h ALA 35 N 6.61 0.39 -2.04 5.51 0.00 -1.15 -3.39 119.26 125.19 2k5n h ALA 35 Ca -0.34 -0.72 -0.57 0.00 0.00 0.00 0.00 54.91 53.28 2k5n h ALA 35 Cb 1.18 -0.03 -0.39 0.00 0.00 0.00 0.00 17.79 18.55 2k5n h ALA 35 CO 0.66 0.84 -1.05 0.27 0.00 0.00 0.00 179.25 179.97 2k5n n ASN 36 N -3.72 0.49 0.02 0.00 6.94 -1.23 -4.94 115.26 112.82 2k5n n ASN 36 Ca -0.06 -2.75 0.10 0.00 -0.02 0.00 0.00 54.58 51.85 2k5n n ASN 36 Cb 0.84 -0.64 0.44 0.00 -2.36 0.00 0.00 39.78 38.06 2k5n n ASN 36 CO 0.00 0.00 0.00 -0.81 -1.03 0.00 0.00 177.26 175.42 2k5n n PRO 37 N 1.43 0.03 0.22 -0.53 -0.04 -1.26 -2.64 135.00 132.22 2k5n n PRO 37 Ca 0.22 0.17 0.09 0.00 -0.04 0.00 0.00 63.50 63.95 2k5n n PRO 37 Cb 0.52 -1.55 0.51 0.00 -0.04 0.00 0.00 33.50 32.93 2k5n n PRO 37 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 2k5n h ASP 38 N 0.00 0.00 -0.57 3.54 3.58 -1.96 -2.94 116.42 118.07 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 0.38 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.43 2k5n h ASP 38 CO 0.00 0.24 0.00 0.18 -2.88 0.00 0.00 179.24 176.78 2k5n n LEU 39 N -3.54 3.63 -4.68 2.28 4.77 -1.08 -4.94 117.00 113.44 2k5n n LEU 39 Ca -0.01 -1.86 -0.42 0.00 -0.03 0.00 0.00 56.01 53.69 2k5n n LEU 39 Cb 0.39 -0.38 -0.03 0.00 -2.33 0.00 0.00 43.42 41.07 2k5n n LEU 39 CO 0.33 0.88 0.97 -0.63 -1.33 0.00 0.00 177.39 177.61 2k5n s ILE 40 N -1.11 4.29 0.13 -0.08 1.01 -1.11 -4.97 121.20 119.36 2k5n s ILE 40 Ca 0.42 1.60 -0.06 0.00 0.00 0.00 0.00 60.65 62.61 2k5n s ILE 40 Cb 0.22 -4.03 -0.02 0.00 0.01 0.00 0.00 42.46 38.64 2k5n s ILE 40 CO 0.30 -0.03 0.17 -1.59 0.00 0.00 0.00 174.94 173.78 2k5n s LYS 41 N 2.50 0.98 0.30 2.79 -2.85 -1.26 -5.11 119.74 117.10 2k5n s LYS 41 Ca 0.55 -1.21 -0.29 0.00 -1.00 0.00 0.00 55.97 54.02 2k5n s LYS 41 Cb -0.23 0.32 -0.10 0.00 -2.06 0.00 0.00 37.83 35.76 2k5n s LYS 41 CO 0.20 -0.32 1.14 0.21 0.10 0.00 0.00 175.35 176.68 2k5n s LYS 42 N -3.96 4.53 -0.48 1.78 2.36 -1.26 -3.07 119.74 119.63 2k5n s LYS 42 Ca 0.16 1.87 0.00 0.00 -2.55 0.00 0.00 55.97 55.45 2k5n s LYS 42 Cb 0.05 -3.10 0.00 0.00 -1.05 0.00 0.00 37.83 33.73 2k5n s LYS 42 CO -0.03 0.09 0.00 -3.47 1.55 0.00 0.00 175.35 173.49 2k5n n ASP 43 N 0.98 -3.63 -4.89 1.43 2.03 -0.18 -4.99 116.55 107.29 2k5n n ASP 43 Ca -0.00 0.11 -0.31 0.00 0.52 0.00 0.00 54.79 55.11 2k5n n ASP 43 Cb 0.45 -1.53 -0.05 0.00 -0.72 0.00 0.00 41.12 39.27 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 -2.14 3.93 -0.03 -1.67 0.00 -1.18 -4.91 121.76 115.77 2k5n s ALA 44 Ca 0.00 -0.86 -0.15 0.00 0.00 0.00 0.00 51.96 50.95 2k5n s ALA 44 Cb 0.00 -1.77 -0.05 0.00 0.00 0.00 0.00 23.12 21.29 2k5n s ALA 44 CO 0.00 0.80 0.41 0.00 0.00 0.00 0.00 175.76 176.98 2k5n s ALA 45 N -1.46 3.65 0.04 0.00 0.00 -1.26 -1.58 121.76 121.15 2k5n s ALA 45 Ca 0.33 -0.23 0.04 0.00 0.00 0.00 0.00 51.96 52.10 2k5n s ALA 45 Cb -0.13 -2.43 -0.02 0.00 0.00 0.00 0.00 23.12 20.54 2k5n s ALA 45 CO 0.26 0.37 -0.11 0.14 0.00 0.00 0.00 175.76 176.41 2k5n s VAL 46 N -0.67 0.87 -0.10 0.00 -7.23 0.29 -0.37 120.40 113.19 2k5n s VAL 46 Ca 0.24 -1.03 -0.00 0.00 -1.81 0.00 0.00 61.98 59.37 2k5n s VAL 46 Cb -0.16 -0.84 -0.03 0.00 0.56 0.00 0.00 36.38 35.91 2k5n s VAL 46 CO 0.12 -0.16 -0.08 0.42 -0.31 0.00 0.00 175.10 175.09 2k5n s THR 47 N -1.05 3.54 0.30 5.32 -4.23 0.17 -0.24 115.64 119.45 2k5n s THR 47 Ca -0.03 -0.51 -0.15 0.00 -1.18 0.00 0.00 61.69 59.81 2k5n s THR 47 Cb -0.08 -2.48 0.02 0.00 1.34 0.00 0.00 72.50 71.30 2k5n s THR 47 CO 0.01 0.55 0.63 0.72 -0.54 0.00 0.00 174.62 176.00 2k5n s PHE 48 N -0.25 0.18 -0.03 3.99 -0.12 -0.29 -0.39 117.98 121.07 2k5n s PHE 48 Ca 0.03 -0.63 -0.09 0.00 -0.05 0.00 0.00 56.93 56.19 2k5n s PHE 48 Cb -0.13 0.49 -0.05 0.00 -0.63 0.00 0.00 43.02 42.70 2k5n s PHE 48 CO 0.03 -1.22 0.28 -1.21 -0.05 0.00 0.00 175.22 173.05 2k5n s GLU 49 N -3.53 3.65 0.02 1.99 0.41 0.39 -0.73 118.70 120.89 2k5n s GLU 49 Ca 0.18 0.08 -0.20 0.00 -0.41 0.00 0.00 54.97 54.61 2k5n s GLU 49 Cb -0.04 -3.15 -0.06 0.00 -1.78 0.00 0.00 34.13 29.11 2k5n s GLU 49 CO 0.10 0.69 0.59 -1.25 -0.49 0.00 0.00 175.26 174.90 2k5n s PRO 50 N -1.35 4.28 0.27 0.39 0.05 -1.26 -1.49 135.00 135.89 2k5n s PRO 50 Ca 0.23 0.73 -0.05 0.00 0.05 0.00 0.00 61.00 61.96 2k5n s PRO 50 Cb -0.14 -3.31 0.02 0.00 0.05 0.00 0.00 34.50 31.12 2k5n s PRO 50 CO 0.12 0.45 0.44 -2.37 0.05 0.00 0.00 177.00 175.68 2k5n n THR 51 N 2.44 0.00 -4.60 1.26 5.66 -0.54 -4.95 114.28 113.56 2k5n n THR 51 Ca -0.08 -1.06 -0.23 0.00 -3.05 0.00 0.00 64.05 59.63 2k5n n THR 51 Cb 0.51 0.76 -0.14 0.00 -1.55 0.00 0.00 70.33 69.91 2k5n n THR 51 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 2k5n s THR 52 N -2.57 1.25 0.42 1.09 2.01 -1.26 -2.42 115.64 114.15 2k5n s THR 52 Ca 0.17 -0.83 0.08 0.00 0.31 0.00 0.00 61.69 61.42 2k5n s THR 52 Cb -0.02 -1.07 -0.02 0.00 0.01 0.00 0.00 72.50 71.40 2k5n s THR 52 CO 0.13 0.23 0.41 0.21 -0.69 0.00 0.00 174.62 174.90 2k5n s ASN 53 N -0.70 5.14 0.40 3.53 3.84 0.19 -4.85 114.94 122.49 2k5n s ASN 53 Ca 0.05 -0.70 0.08 0.00 0.21 0.00 0.00 52.86 52.50 2k5n s ASN 53 Cb -0.07 -0.58 0.83 0.00 -0.55 0.00 0.00 41.25 40.89 2k5n s ASN 53 CO 0.00 -0.67 2.01 -1.13 -2.79 0.00 0.00 177.10 174.52 2k5n h ASN 54 N 0.96 0.39 -0.02 -4.21 -0.73 -2.01 -3.13 115.58 106.83 2k5n h ASN 54 Ca -0.41 -0.03 -0.01 0.00 1.87 0.00 0.00 56.30 57.72 2k5n h ASN 54 Cb 1.27 -0.10 -0.00 0.00 0.27 0.00 0.00 38.32 39.76 2k5n h ASN 54 CO 0.55 0.36 -0.32 1.17 -0.37 0.00 0.00 177.43 178.82 2k5n n LYS 55 N -4.41 1.53 0.00 6.67 3.00 -1.26 -5.06 118.16 118.62 2k5n n LYS 55 Ca 0.02 -3.07 0.00 0.00 -0.00 0.00 0.00 58.31 55.25 2k5n n LYS 55 Cb 0.13 -1.59 0.00 0.00 0.00 0.00 0.00 35.03 33.57 2k5n n LYS 55 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2k5n n GLY 56 N -1.21 1.05 3.78 3.14 0.00 -1.19 -5.09 105.19 105.67 2k5n n GLY 56 Ca 0.19 -1.56 -0.37 0.00 0.00 0.00 0.00 46.02 44.27 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 4.37 0.25 0.99 1.02 -1.26 0.57 118.68 124.62 2k5n s LEU 57 Ca 0.00 1.89 -0.13 0.00 0.02 0.00 0.00 54.13 55.92 2k5n s LEU 57 Cb 0.00 -3.96 -0.00 0.00 0.02 0.00 0.00 46.19 42.25 2k5n s LEU 57 CO 0.00 -0.08 0.48 -0.94 0.02 0.00 0.00 176.35 175.83 2k5n s SER 58 N -1.52 -0.07 0.03 2.29 1.04 -1.02 -0.99 113.70 113.47 2k5n s SER 58 Ca 0.49 -0.94 0.02 0.00 0.48 0.00 0.00 55.95 56.00 2k5n s SER 58 Cb -0.21 0.59 -0.02 0.00 0.10 0.00 0.00 66.02 66.48 2k5n s SER 58 CO 0.26 -1.15 -0.07 0.00 0.98 0.00 0.00 173.24 173.27 2k5n s ALA 59 N -3.99 0.47 0.40 5.32 0.00 -1.26 -1.46 121.76 121.24 2k5n s ALA 59 Ca 0.23 -0.65 0.04 0.00 0.00 0.00 0.00 51.96 51.57 2k5n s ALA 59 Cb -0.01 0.04 -0.03 0.00 0.00 0.00 0.00 23.12 23.13 2k5n s ALA 59 CO 0.09 -0.02 0.13 1.52 0.00 0.00 0.00 175.76 177.48 2k5n s TYR 60 N -1.20 1.79 -1.48 0.00 1.13 -0.56 -4.78 117.35 112.25 2k5n s TYR 60 Ca -0.09 -1.28 -0.06 0.00 -1.41 0.00 0.00 57.07 54.23 2k5n s TYR 60 Cb -0.09 -1.14 0.02 0.00 -1.10 0.00 0.00 41.96 39.65 2k5n s TYR 60 CO 0.00 -0.30 0.61 0.00 -2.51 0.00 0.00 175.55 173.35 2k5n n ALA 61 N -0.88 -1.02 -1.99 9.51 0.00 -0.71 -0.46 120.51 124.97 2k5n n ALA 61 Ca -0.05 0.24 -0.43 0.00 0.00 0.00 0.00 53.44 53.20 2k5n n ALA 61 Cb 0.65 -3.69 -0.03 0.00 0.00 0.00 0.00 19.45 16.38 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 -3.12 3.49 -0.23 0.00 1.01 -0.79 -4.48 120.40 116.27 2k5n s VAL 62 Ca 0.34 0.52 -0.02 0.00 0.00 0.00 0.00 61.98 62.83 2k5n s VAL 62 Cb -0.16 -3.58 0.01 0.00 0.00 0.00 0.00 36.38 32.66 2k5n s VAL 62 CO 0.43 -0.31 -0.07 -0.54 0.00 0.00 0.00 175.10 174.61 2k5n s LYS 63 N 5.30 3.02 0.25 2.72 1.02 0.48 -0.61 119.74 131.92 2k5n s LYS 63 Ca 0.79 -0.85 -0.30 0.00 0.02 0.00 0.00 55.97 55.64 2k5n s LYS 63 Cb -0.25 -2.95 -0.09 0.00 -0.52 0.00 0.00 37.83 34.01 2k5n s LYS 63 CO 0.33 -0.32 1.24 0.08 -0.92 0.00 0.00 175.35 175.75 2k5n s VAL 64 N 1.37 3.22 -0.67 3.17 1.01 -1.26 -0.66 120.40 126.58 2k5n s VAL 64 Ca 0.03 1.11 0.01 0.00 0.00 0.00 0.00 61.98 63.13 2k5n s VAL 64 Cb -0.15 -3.71 0.17 0.00 0.00 0.00 0.00 36.38 32.68 2k5n s VAL 64 CO -0.05 0.22 0.47 -0.69 0.00 0.00 0.00 175.10 175.05 2k5n s VAL 65 N -0.56 3.29 0.00 2.92 1.01 0.50 -4.90 120.40 122.66 2k5n s VAL 65 Ca 0.51 -3.59 0.00 0.00 0.00 0.00 0.00 61.98 58.90 2k5n s VAL 65 Cb -0.35 -3.16 0.00 0.00 0.00 0.00 0.00 36.38 32.87 2k5n s VAL 65 CO 0.42 -0.93 0.00 -2.65 0.00 0.00 0.00 175.10 171.95 2k5n n PRO 66 N 2.75 -0.04 0.06 2.72 -0.02 -1.26 -4.20 135.00 135.01 2k5n n PRO 66 Ca 0.13 0.00 0.04 0.00 -2.02 0.00 0.00 63.50 61.65 2k5n n PRO 66 Cb 0.35 0.00 0.44 0.00 -0.02 0.00 0.00 33.50 34.27 2k5n n PRO 66 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 2k5n h LEU 67 N 0.00 0.36 -8.67 2.45 3.38 -1.99 -3.44 115.31 107.41 2k5n h LEU 67 Ca 0.00 -0.02 -0.27 0.00 0.09 0.00 0.00 57.88 57.67 2k5n h LEU 67 Cb 0.00 -0.09 -0.15 0.00 0.09 0.00 0.00 40.66 40.51 2k5n h LEU 67 CO 0.00 0.32 -0.63 -0.70 0.09 0.00 0.00 178.44 177.52 2k5n s GLU 68 N -5.25 1.21 0.53 1.13 2.12 -1.26 -5.04 118.70 112.14 2k5n s GLU 68 Ca -0.07 -1.63 0.29 0.00 0.36 0.00 0.00 54.97 53.92 2k5n s GLU 68 Cb 0.17 0.03 1.44 0.00 0.26 0.00 0.00 34.13 36.03 2k5n s GLU 68 CO 0.72 -0.31 2.04 1.25 -0.54 0.00 0.00 175.26 178.43 2k5n h HIS 69 N 2.59 0.00 -4.19 5.30 -0.00 -1.96 -3.49 115.15 113.40 2k5n h HIS 69 Ca -0.37 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.01 2k5n h HIS 69 Cb 1.24 0.00 -0.07 0.00 -0.00 0.00 0.00 27.41 28.58 2k5n h HIS 69 CO 0.42 0.11 -0.97 0.72 -0.00 0.00 0.00 177.93 178.21 2k5n n HIS 70 N -3.45 -3.10 -1.94 5.26 8.25 -1.26 -4.84 115.22 114.14 2k5n n HIS 70 Ca -0.01 1.82 -0.42 0.00 -0.26 0.00 0.00 57.72 58.85 2k5n n HIS 70 Cb 0.27 -3.17 -0.03 0.00 1.12 0.00 0.00 29.99 28.18 2k5n n HIS 70 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 2k5n s HIS 71 N -0.43 1.67 0.26 4.41 -3.43 -1.26 -4.98 115.29 111.52 2k5n s HIS 71 Ca -0.14 0.71 0.00 0.00 -0.80 0.00 0.00 55.06 54.82 2k5n s HIS 71 Cb 0.01 -4.06 -0.04 0.00 -1.43 0.00 0.00 32.58 27.06 2k5n s HIS 71 CO 0.39 -2.93 0.45 -3.38 -2.00 0.00 0.00 174.74 167.26 2k5n s HIS 72 N 7.75 3.48 -0.14 0.38 -3.43 -1.26 -5.06 115.29 117.01 2k5n s HIS 72 Ca 0.81 0.31 -0.28 0.00 -0.80 0.00 0.00 55.06 55.10 2k5n s HIS 72 Cb -0.22 -1.84 -0.01 0.00 -1.43 0.00 0.00 32.58 29.09 2k5n s HIS 72 CO 0.31 0.29 0.96 -1.58 -2.00 0.00 0.00 174.74 172.73 2k5n s HIS 73 N -2.04 3.46 -2.93 0.38 2.46 -1.26 -5.30 115.29 110.06 2k5n s HIS 73 Ca 0.39 1.48 0.25 0.00 0.47 0.00 0.00 55.06 57.64 2k5n s HIS 73 Cb -0.10 -3.15 0.31 0.00 -0.13 0.00 0.00 32.58 29.51 2k5n s HIS 73 CO 0.31 -0.27 1.33 -2.39 -2.47 0.00 0.00 174.74 171.25