#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 2.56 0.53 -5.12 0.00 -1.26 -4.53 121.76 113.93 2k5n s ALA 2 Ca 0.00 -1.08 0.06 0.00 0.00 0.00 0.00 51.96 50.94 2k5n s ALA 2 Cb 0.00 -1.32 0.03 0.00 0.00 0.00 0.00 23.12 21.83 2k5n s ALA 2 CO 0.00 -0.13 0.40 -1.64 0.00 0.00 0.00 175.76 174.39 2k5n s MET 3 N 0.97 2.28 0.11 0.00 -1.94 -1.17 -4.91 119.30 114.64 2k5n s MET 3 Ca -0.02 -1.96 0.04 0.00 -1.71 0.00 0.00 55.69 52.05 2k5n s MET 3 Cb -0.15 -2.13 -0.04 0.00 2.01 0.00 0.00 34.83 34.52 2k5n s MET 3 CO -0.02 -0.56 0.06 0.54 -0.01 0.00 0.00 175.02 175.04 2k5n s ASN 4 N -4.26 5.33 0.21 3.03 4.22 -1.26 -2.68 114.94 119.54 2k5n s ASN 4 Ca 0.36 -0.11 0.03 0.00 -2.14 0.00 0.00 52.86 51.00 2k5n s ASN 4 Cb -0.02 -1.36 -0.05 0.00 1.28 0.00 0.00 41.25 41.10 2k5n s ASN 4 CO 0.22 0.14 0.00 -0.83 -2.04 0.00 0.00 177.10 174.60 2k5n s GLY 5 N -2.57 1.45 -0.10 0.45 0.00 0.89 -2.54 107.32 104.91 2k5n s GLY 5 Ca 0.29 -1.71 0.01 0.00 0.00 0.00 0.00 44.72 43.30 2k5n s GLY 5 CO 0.21 -1.61 -0.10 -1.59 0.00 0.00 0.00 173.10 170.00 2k5n s THR 6 N -3.52 3.36 -0.21 0.90 2.01 0.14 -0.52 115.64 117.79 2k5n s THR 6 Ca 0.27 -0.58 -0.27 0.00 0.31 0.00 0.00 61.69 61.42 2k5n s THR 6 Cb 0.06 -2.38 -0.00 0.00 0.01 0.00 0.00 72.50 70.18 2k5n s THR 6 CO 0.07 0.56 0.93 -0.63 -0.69 0.00 0.00 174.62 174.87 2k5n s ILE 7 N -0.25 4.78 -0.15 1.82 1.01 -0.78 -1.42 121.20 126.21 2k5n s ILE 7 Ca 0.02 1.82 -0.10 0.00 0.00 0.00 0.00 60.65 62.39 2k5n s ILE 7 Cb -0.13 -4.22 -0.07 0.00 0.01 0.00 0.00 42.46 38.06 2k5n s ILE 7 CO 0.03 -0.08 -0.23 0.35 0.00 0.00 0.00 174.94 175.00 2k5n n THR 8 N 5.09 1.14 -4.66 2.92 -2.24 -1.08 -2.57 114.28 112.88 2k5n n THR 8 Ca 0.08 -0.09 -0.29 0.00 -2.27 0.00 0.00 64.05 61.49 2k5n n THR 8 Cb 0.47 -1.87 -0.17 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 -2.42 1.57 -0.04 4.28 2.01 -1.01 -4.92 115.64 115.12 2k5n s THR 9 Ca -0.23 -0.71 -0.02 0.00 0.31 0.00 0.00 61.69 61.04 2k5n s THR 9 Cb 0.07 -1.41 0.02 0.00 0.01 0.00 0.00 72.50 71.19 2k5n s THR 9 CO 0.31 0.45 0.09 0.86 -0.69 0.00 0.00 174.62 175.64 2k5n s TRP 10 N 0.77 -0.08 -0.36 4.92 -0.11 -1.26 0.69 118.94 123.50 2k5n s TRP 10 Ca -0.11 0.26 -0.01 0.00 1.22 0.00 0.00 56.10 57.47 2k5n s TRP 10 Cb -0.16 -0.05 0.09 0.00 -1.50 0.00 0.00 33.47 31.85 2k5n s TRP 10 CO 0.02 -0.08 0.11 -0.06 -4.62 0.00 0.00 176.95 172.31 2k5n s PHE 11 N 0.53 3.55 0.11 5.86 0.08 0.82 -4.97 117.98 123.96 2k5n s PHE 11 Ca -0.04 -2.45 -0.08 0.00 0.12 0.00 0.00 56.93 54.48 2k5n s PHE 11 Cb -0.06 -2.86 -0.15 0.00 -0.57 0.00 0.00 43.02 39.39 2k5n s PHE 11 CO -0.02 -0.93 1.26 -0.22 -0.10 0.00 0.00 175.22 175.21 2k5n h LYS 12 N 7.92 0.52 -0.05 0.44 3.64 -1.95 0.37 116.57 127.45 2k5n h LYS 12 Ca -0.13 -0.56 -0.01 0.00 -1.27 0.00 0.00 60.65 58.68 2k5n h LYS 12 Cb 1.04 0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 33.02 2k5n h LYS 12 CO 0.61 1.19 -0.02 0.22 -2.27 0.00 0.00 179.45 179.18 2k5n h ASP 13 N 0.29 0.10 -0.11 4.20 3.58 -1.95 -3.29 116.42 119.24 2k5n h ASP 13 Ca -0.10 -0.39 -0.06 0.00 0.42 0.00 0.00 57.03 56.90 2k5n h ASP 13 Cb 1.62 -0.03 -0.00 0.00 1.72 0.00 0.00 39.33 42.65 2k5n h ASP 13 CO 0.18 0.47 -0.18 0.11 -2.88 0.00 0.00 179.24 176.94 2k5n h LYS 14 N -0.26 0.32 0.00 0.28 1.79 -1.99 -3.48 116.57 113.23 2k5n h LYS 14 Ca 0.01 -0.19 0.00 0.00 -2.18 0.00 0.00 60.65 58.29 2k5n h LYS 14 Cb 0.43 0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.10 2k5n h LYS 14 CO 0.01 0.77 0.00 0.41 -1.08 0.00 0.00 179.45 179.56 2k5n n GLY 15 N 0.36 1.32 3.26 3.86 0.00 0.13 -4.99 105.19 109.12 2k5n n GLY 15 Ca -0.07 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.81 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 1.35 -0.00 1.61 -0.71 -1.00 0.43 117.98 117.66 2k5n s PHE 16 Ca 0.00 -1.32 -0.02 0.00 -1.04 0.00 0.00 56.93 54.55 2k5n s PHE 16 Cb 0.00 -0.71 0.01 0.00 -1.21 0.00 0.00 43.02 41.10 2k5n s PHE 16 CO 0.00 -0.53 0.07 0.41 -1.34 0.00 0.00 175.22 173.83 2k5n n GLY 17 N -0.38 0.42 2.94 1.99 0.00 -0.83 -0.13 105.19 109.20 2k5n n GLY 17 Ca 0.01 -0.82 -0.20 0.00 0.00 0.00 0.00 46.02 45.01 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 -2.20 0.87 -0.05 1.61 0.08 0.22 -1.23 117.98 117.27 2k5n s PHE 18 Ca 0.02 -0.25 0.02 0.00 0.12 0.00 0.00 56.93 56.84 2k5n s PHE 18 Cb -0.00 -0.69 0.01 0.00 -0.57 0.00 0.00 43.02 41.77 2k5n s PHE 18 CO -0.00 -0.17 -0.09 0.42 -0.10 0.00 0.00 175.22 175.28 2k5n s ILE 19 N 0.64 0.87 -0.27 0.64 1.01 -0.90 -2.39 121.20 120.80 2k5n s ILE 19 Ca -0.10 -0.34 -0.10 0.00 0.00 0.00 0.00 60.65 60.11 2k5n s ILE 19 Cb -0.13 -0.81 -0.05 0.00 0.01 0.00 0.00 42.46 41.48 2k5n s ILE 19 CO 0.01 0.29 0.17 -0.75 0.00 0.00 0.00 174.94 174.66 2k5n s LYS 20 N 0.64 3.93 0.00 2.79 2.20 -0.51 -0.52 119.74 128.27 2k5n s LYS 20 Ca -0.11 -0.33 0.00 0.00 -0.36 0.00 0.00 55.97 55.16 2k5n s LYS 20 Cb -0.14 -3.60 0.00 0.00 -1.51 0.00 0.00 37.83 32.58 2k5n s LYS 20 CO 0.02 -0.15 0.00 -0.40 -0.36 0.00 0.00 175.35 174.46 2k5n n ASP 21 N 4.95 0.96 0.01 1.43 5.68 -1.15 0.23 116.55 128.66 2k5n n ASP 21 Ca -0.14 -0.48 0.09 0.00 -0.50 0.00 0.00 54.79 53.75 2k5n n ASP 21 Cb 0.52 0.00 0.40 0.00 -1.14 0.00 0.00 41.12 40.90 2k5n n ASP 21 CO 0.00 0.00 0.00 1.21 -1.33 0.00 0.00 177.20 177.08 2k5n n GLU 22 N -0.25 0.01 0.23 0.11 2.13 -1.05 -1.68 120.64 120.14 2k5n n GLU 22 Ca 0.00 0.19 0.07 0.00 0.66 0.00 0.00 57.16 58.08 2k5n n GLU 22 Cb 0.00 -1.52 0.54 0.00 0.27 0.00 0.00 31.44 30.73 2k5n n GLU 22 CO 0.00 0.00 0.00 -0.91 -0.41 0.00 0.00 177.13 175.81 2k5n h ASN 23 N 0.00 0.00 0.00 4.31 4.21 -1.94 -3.46 115.58 118.69 2k5n h ASN 23 Ca 0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 2k5n h ASN 23 Cb 0.33 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.53 2k5n h ASN 23 CO 0.00 0.21 0.00 0.61 -1.29 0.00 0.00 177.43 176.96 2k5n n GLY 24 N -0.72 0.87 3.33 2.83 0.00 -0.67 -5.08 105.19 105.75 2k5n n GLY 24 Ca -0.02 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.83 2k5n n GLY 24 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2k5n s ASP 25 N -2.20 2.07 -0.04 1.61 2.15 -1.26 -4.98 116.67 114.01 2k5n s ASP 25 Ca 0.00 -1.15 -0.15 0.00 0.43 0.00 0.00 52.55 51.68 2k5n s ASP 25 Cb 0.00 -0.04 -0.05 0.00 -0.30 0.00 0.00 42.92 42.53 2k5n s ASP 25 CO 0.00 -0.41 0.40 0.54 -0.17 0.00 0.00 175.17 175.52 2k5n s ASN 26 N -3.30 6.73 0.10 -0.34 6.03 -1.26 -2.91 114.94 119.99 2k5n s ASN 26 Ca 0.26 0.87 0.06 0.00 -1.03 0.00 0.00 52.86 53.02 2k5n s ASN 26 Cb 0.04 -2.24 -0.04 0.00 -3.03 0.00 0.00 41.25 35.98 2k5n s ASN 26 CO 0.07 0.25 -0.06 -0.13 -2.03 0.00 0.00 177.10 175.21 2k5n s ARG 27 N -0.63 2.29 -0.20 3.55 0.52 0.33 -4.77 118.95 120.04 2k5n s ARG 27 Ca 0.23 -0.96 -0.21 0.00 -0.52 0.00 0.00 55.73 54.27 2k5n s ARG 27 Cb -0.16 -2.39 -0.03 0.00 0.52 0.00 0.00 34.95 32.89 2k5n s ARG 27 CO 0.11 0.52 0.63 -0.47 0.02 0.00 0.00 175.30 176.11 2k5n s TYR 28 N -1.28 3.37 0.21 -0.53 5.04 -0.19 -2.13 117.35 121.85 2k5n s TYR 28 Ca 0.23 0.92 0.10 0.00 -2.44 0.00 0.00 57.07 55.89 2k5n s TYR 28 Cb -0.11 -2.80 -0.04 0.00 0.35 0.00 0.00 41.96 39.36 2k5n s TYR 28 CO 0.16 -0.17 -0.15 -0.06 -1.34 0.00 0.00 175.55 173.99 2k5n s PHE 29 N 1.91 2.49 -0.02 4.97 0.40 -0.37 -4.16 117.98 123.20 2k5n s PHE 29 Ca 0.29 -0.28 0.01 0.00 -0.60 0.00 0.00 56.93 56.35 2k5n s PHE 29 Cb -0.16 -1.19 0.01 0.00 0.51 0.00 0.00 43.02 42.19 2k5n s PHE 29 CO 0.10 0.55 -0.03 -1.58 0.70 0.00 0.00 175.22 174.96 2k5n s HIS 30 N -1.86 0.44 0.54 0.36 2.46 -1.26 -1.97 115.29 114.00 2k5n s HIS 30 Ca 0.25 -0.08 0.32 0.00 0.47 0.00 0.00 55.06 56.02 2k5n s HIS 30 Cb -0.08 -0.38 1.48 0.00 -0.13 0.00 0.00 32.58 33.48 2k5n s HIS 30 CO 0.14 -0.08 1.88 -0.24 -2.47 0.00 0.00 174.74 173.98 2k5n h VAL 31 N 5.60 0.53 -0.10 0.89 3.04 -0.40 -0.21 116.25 125.60 2k5n h VAL 31 Ca -0.34 0.00 -0.04 0.00 -1.01 0.00 0.00 66.70 65.31 2k5n h VAL 31 Cb 1.17 0.55 -0.01 0.00 -2.01 0.00 0.00 31.29 30.99 2k5n h VAL 31 CO 0.49 0.00 -0.13 -0.29 -1.01 0.00 0.00 177.57 176.63 2k5n h ILE 32 N 0.00 1.15 -0.00 3.17 2.10 -1.97 -1.59 117.51 120.37 2k5n h ILE 32 Ca 0.42 -0.68 0.00 0.00 1.08 0.00 0.00 64.86 65.68 2k5n h ILE 32 Cb 1.70 1.22 0.00 0.00 -1.09 0.00 0.00 36.82 38.65 2k5n h ILE 32 CO -0.00 0.21 -0.37 0.29 -1.08 0.00 0.00 178.15 177.19 2k5n n LYS 33 N -4.31 0.15 -3.32 2.19 4.76 -0.09 -4.84 118.16 112.70 2k5n n LYS 33 Ca -0.01 -0.08 -0.38 0.00 -2.87 0.00 0.00 58.31 54.97 2k5n n LYS 33 Cb 0.25 -1.50 -0.06 0.00 -1.84 0.00 0.00 35.03 31.88 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 -2.90 5.04 -0.15 -0.18 1.01 -0.60 -1.28 120.40 121.35 2k5n s VAL 34 Ca 0.14 1.03 0.19 0.00 0.00 0.00 0.00 61.98 63.34 2k5n s VAL 34 Cb 0.18 -3.83 -0.12 0.00 0.00 0.00 0.00 36.38 32.61 2k5n s VAL 34 CO 0.64 0.42 0.81 0.00 0.00 0.00 0.00 175.10 176.97 2k5n n ALA 35 N 2.86 2.11 -3.20 5.51 0.00 0.33 -4.49 120.51 123.64 2k5n n ALA 35 Ca -0.09 -0.51 -0.26 0.00 0.00 0.00 0.00 53.44 52.58 2k5n n ALA 35 Cb 0.52 -0.94 -0.06 0.00 0.00 0.00 0.00 19.45 18.97 2k5n n ALA 35 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2k5n n ASN 36 N -2.79 3.67 0.13 0.00 4.13 -1.15 -4.92 115.26 114.33 2k5n n ASN 36 Ca -0.08 -3.47 -0.02 0.00 1.68 0.00 0.00 54.58 52.69 2k5n n ASN 36 Cb 0.77 -0.62 0.17 0.00 -1.54 0.00 0.00 39.78 38.56 2k5n n ASN 36 CO 0.00 0.00 0.00 1.55 0.28 0.00 0.00 177.26 179.09 2k5n h PRO 37 N 3.62 0.05 0.00 3.52 0.13 -1.89 -2.73 132.00 134.70 2k5n h PRO 37 Ca 0.16 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 2k5n h PRO 37 Cb 0.63 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.76 2k5n h PRO 37 CO 0.79 0.64 -0.47 0.22 -0.23 0.00 0.00 178.00 178.95 2k5n h ASP 38 N 0.03 0.00 0.39 1.44 3.58 -1.98 -3.18 116.42 116.71 2k5n h ASP 38 Ca -0.01 -0.04 0.00 0.00 0.42 0.00 0.00 57.03 57.40 2k5n h ASP 38 Cb 1.08 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.13 2k5n h ASP 38 CO 0.08 0.02 -0.47 0.18 -2.88 0.00 0.00 179.24 176.17 2k5n n LEU 39 N -2.64 0.69 -4.66 2.28 4.77 -1.12 -4.86 117.00 111.46 2k5n n LEU 39 Ca 0.03 -0.11 -0.42 0.00 -0.03 0.00 0.00 56.01 55.48 2k5n n LEU 39 Cb 0.51 -0.20 -0.03 0.00 -2.33 0.00 0.00 43.42 41.37 2k5n n LEU 39 CO 0.36 0.15 1.59 -0.63 -1.33 0.00 0.00 177.39 177.53 2k5n s ILE 40 N -2.87 3.09 0.38 -0.08 1.01 -1.05 -4.98 121.20 116.70 2k5n s ILE 40 Ca 0.14 0.10 0.04 0.00 0.00 0.00 0.00 60.65 60.93 2k5n s ILE 40 Cb 0.18 -3.07 -0.05 0.00 0.01 0.00 0.00 42.46 39.53 2k5n s ILE 40 CO 0.66 -0.01 0.07 -0.54 0.00 0.00 0.00 174.94 175.12 2k5n s LYS 41 N 4.50 1.83 0.09 2.79 -0.14 -1.26 -5.07 119.74 122.47 2k5n s LYS 41 Ca 0.87 -2.07 -0.26 0.00 -1.36 0.00 0.00 55.97 53.15 2k5n s LYS 41 Cb -0.41 -0.95 -0.06 0.00 -1.68 0.00 0.00 37.83 34.72 2k5n s LYS 41 CO 0.40 -0.28 0.81 0.21 -0.76 0.00 0.00 175.35 175.74 2k5n s LYS 42 N -3.82 4.57 -0.57 1.68 2.47 -1.26 -3.51 119.74 119.30 2k5n s LYS 42 Ca 0.29 1.18 0.00 0.00 -1.56 0.00 0.00 55.97 55.88 2k5n s LYS 42 Cb 0.06 -3.34 0.00 0.00 -1.46 0.00 0.00 37.83 33.09 2k5n s LYS 42 CO 0.14 0.34 0.00 -3.47 0.16 0.00 0.00 175.35 172.52 2k5n n ASP 43 N 2.47 -4.86 -4.91 1.43 2.03 -1.06 -4.98 116.55 106.67 2k5n n ASP 43 Ca -0.02 0.13 -0.27 0.00 0.52 0.00 0.00 54.79 55.15 2k5n n ASP 43 Cb 0.49 -2.82 -0.02 0.00 -0.72 0.00 0.00 41.12 38.05 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 -1.79 3.61 -0.13 -1.67 0.00 -1.23 -4.84 121.76 115.71 2k5n s ALA 44 Ca 0.00 -0.63 -0.06 0.00 0.00 0.00 0.00 51.96 51.27 2k5n s ALA 44 Cb 0.00 -2.29 -0.04 0.00 0.00 0.00 0.00 23.12 20.79 2k5n s ALA 44 CO 0.00 0.12 0.10 0.00 0.00 0.00 0.00 175.76 175.98 2k5n s ALA 45 N -2.21 3.69 0.18 0.00 0.00 -1.26 -1.87 121.76 120.29 2k5n s ALA 45 Ca 0.43 -0.69 0.08 0.00 0.00 0.00 0.00 51.96 51.78 2k5n s ALA 45 Cb -0.10 -1.90 -0.04 0.00 0.00 0.00 0.00 23.12 21.08 2k5n s ALA 45 CO 0.33 0.51 -0.16 0.14 0.00 0.00 0.00 175.76 176.58 2k5n s VAL 46 N -0.68 1.70 -0.04 0.00 -7.23 0.32 -0.33 120.40 114.14 2k5n s VAL 46 Ca 0.12 -2.02 0.07 0.00 -1.81 0.00 0.00 61.98 58.35 2k5n s VAL 46 Cb -0.12 -1.88 -0.02 0.00 0.56 0.00 0.00 36.38 34.92 2k5n s VAL 46 CO 0.02 -0.46 -0.25 0.42 -0.31 0.00 0.00 175.10 174.52 2k5n s THR 47 N -2.49 2.02 0.36 5.32 -4.23 0.11 -0.08 115.64 116.65 2k5n s THR 47 Ca 0.18 -1.07 -0.16 0.00 -1.18 0.00 0.00 61.69 59.46 2k5n s THR 47 Cb -0.03 -1.69 0.04 0.00 1.34 0.00 0.00 72.50 72.16 2k5n s THR 47 CO 0.06 0.57 0.74 0.72 -0.54 0.00 0.00 174.62 176.17 2k5n s PHE 48 N -0.40 0.13 -0.01 3.99 -0.12 -1.09 -0.70 117.98 119.78 2k5n s PHE 48 Ca 0.04 -0.72 0.03 0.00 -0.05 0.00 0.00 56.93 56.23 2k5n s PHE 48 Cb -0.12 0.73 -0.03 0.00 -0.63 0.00 0.00 43.02 42.97 2k5n s PHE 48 CO 0.01 -1.46 -0.08 -1.83 -0.05 0.00 0.00 175.22 171.81 2k5n s GLU 49 N -2.75 2.54 0.54 1.99 1.03 -1.20 -3.07 118.70 117.79 2k5n s GLU 49 Ca 0.16 -0.71 -0.17 0.00 0.03 0.00 0.00 54.97 54.28 2k5n s GLU 49 Cb -0.05 -2.48 -0.06 0.00 -0.80 0.00 0.00 34.13 30.74 2k5n s GLU 49 CO 0.11 0.61 1.02 -2.14 -1.33 0.00 0.00 175.26 173.53 2k5n s PRO 50 N -1.28 3.67 0.22 -4.83 0.02 -1.26 -3.14 135.00 128.40 2k5n s PRO 50 Ca 0.16 1.10 -0.21 0.00 0.02 0.00 0.00 61.00 62.07 2k5n s PRO 50 Cb -0.11 -2.09 0.07 0.00 0.02 0.00 0.00 34.50 32.39 2k5n s PRO 50 CO 0.06 -0.51 1.00 -0.08 -0.33 0.00 0.00 177.00 177.14 2k5n s THR 51 N -2.49 0.00 0.07 0.99 -1.32 -0.45 -4.94 115.64 107.50 2k5n s THR 51 Ca 0.62 -0.66 0.09 0.00 -1.21 0.00 0.00 61.69 60.53 2k5n s THR 51 Cb -0.13 -2.94 -0.03 0.00 -1.51 0.00 0.00 72.50 67.89 2k5n s THR 51 CO 0.32 0.00 -0.24 0.42 -2.21 0.00 0.00 174.62 172.92 2k5n s THR 52 N -2.13 2.40 -0.31 5.08 -4.23 -1.26 -1.79 115.64 113.40 2k5n s THR 52 Ca 0.21 -1.43 0.10 0.00 -1.18 0.00 0.00 61.69 59.39 2k5n s THR 52 Cb -0.03 -2.00 0.63 0.00 1.34 0.00 0.00 72.50 72.44 2k5n s THR 52 CO 0.07 0.27 1.66 -3.20 -0.54 0.00 0.00 174.62 172.88 2k5n n ASN 53 N 1.44 3.82 0.00 3.99 4.05 0.45 -4.83 115.26 124.18 2k5n n ASN 53 Ca -0.17 -3.40 0.00 0.00 0.45 0.00 0.00 54.58 51.46 2k5n n ASN 53 Cb 0.52 -0.69 0.00 0.00 1.23 0.00 0.00 39.78 40.84 2k5n n ASN 53 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 177.26 171.01 2k5n n ASN 54 N -0.66 0.00 -0.21 1.20 2.85 -1.26 -4.34 115.26 112.84 2k5n n ASN 54 Ca 0.38 0.00 -0.06 0.00 -0.11 0.00 0.00 54.58 54.79 2k5n n ASN 54 Cb 1.25 0.00 0.09 0.00 1.24 0.00 0.00 39.78 42.35 2k5n n ASN 54 CO 0.00 0.00 0.00 0.11 -2.11 0.00 0.00 177.26 175.26 2k5n h LYS 55 N 0.00 1.04 0.00 1.20 1.57 -2.03 -3.48 116.57 114.87 2k5n h LYS 55 Ca 0.00 -0.26 0.00 0.00 -1.87 0.00 0.00 60.65 58.52 2k5n h LYS 55 Cb 0.00 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.18 2k5n h LYS 55 CO 0.00 0.94 0.00 0.41 -0.57 0.00 0.00 179.45 180.23 2k5n n GLY 56 N -0.67 1.70 3.75 3.86 0.00 -1.26 -5.14 105.19 107.43 2k5n n GLY 56 Ca 0.04 -0.54 -0.40 0.00 0.00 0.00 0.00 46.02 45.12 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 4.45 0.21 0.99 1.43 -1.26 -0.41 118.68 124.09 2k5n s LEU 57 Ca 0.00 1.45 -0.09 0.00 -1.03 0.00 0.00 54.13 54.46 2k5n s LEU 57 Cb 0.00 -3.23 -0.01 0.00 0.03 0.00 0.00 46.19 42.98 2k5n s LEU 57 CO 0.00 0.02 0.35 -0.44 0.23 0.00 0.00 176.35 176.51 2k5n s SER 58 N -0.10 -0.00 0.13 2.29 0.01 -0.74 -1.02 113.70 114.27 2k5n s SER 58 Ca 0.38 -1.02 -0.05 0.00 1.31 0.00 0.00 55.95 56.57 2k5n s SER 58 Cb -0.21 0.50 -0.02 0.00 0.21 0.00 0.00 66.02 66.50 2k5n s SER 58 CO 0.23 -1.00 0.16 0.00 0.41 0.00 0.00 173.24 173.03 2k5n s ALA 59 N -4.04 0.31 0.33 1.44 0.00 -1.26 -1.34 121.76 117.20 2k5n s ALA 59 Ca 0.25 -1.08 0.07 0.00 0.00 0.00 0.00 51.96 51.20 2k5n s ALA 59 Cb 0.02 0.74 -0.03 0.00 0.00 0.00 0.00 23.12 23.85 2k5n s ALA 59 CO 0.07 -0.54 0.29 1.52 0.00 0.00 0.00 175.76 177.11 2k5n s TYR 60 N -3.97 1.75 -1.53 0.00 1.13 -1.19 -4.81 117.35 108.73 2k5n s TYR 60 Ca 0.16 -1.66 -0.13 0.00 -1.41 0.00 0.00 57.07 54.04 2k5n s TYR 60 Cb 0.05 -0.69 0.08 0.00 -1.10 0.00 0.00 41.96 40.31 2k5n s TYR 60 CO -0.02 -0.89 0.93 0.00 -2.51 0.00 0.00 175.55 173.05 2k5n n ALA 61 N -0.63 -1.37 -2.43 9.51 0.00 -0.41 -3.25 120.51 121.94 2k5n n ALA 61 Ca 0.07 0.13 -0.42 0.00 0.00 0.00 0.00 53.44 53.22 2k5n n ALA 61 Cb 0.62 -4.10 -0.02 0.00 0.00 0.00 0.00 19.45 15.95 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 -3.35 3.91 -0.17 0.00 1.01 -1.03 -4.56 120.40 116.21 2k5n s VAL 62 Ca 0.60 0.86 -0.04 0.00 0.00 0.00 0.00 61.98 63.39 2k5n s VAL 62 Cb -0.30 -4.41 -0.03 0.00 0.00 0.00 0.00 36.38 31.64 2k5n s VAL 62 CO 0.84 -1.02 -0.03 -1.59 0.00 0.00 0.00 175.10 173.30 2k5n s LYS 63 N 5.11 3.64 0.59 2.72 0.00 0.12 -0.51 119.74 131.40 2k5n s LYS 63 Ca 0.54 -0.53 -0.19 0.00 0.00 0.00 0.00 55.97 55.79 2k5n s LYS 63 Cb -0.11 -2.97 -0.04 0.00 0.00 0.00 0.00 37.83 34.71 2k5n s LYS 63 CO 0.29 0.15 1.20 0.08 0.00 0.00 0.00 175.35 177.06 2k5n s VAL 64 N 0.62 2.69 -0.87 1.79 1.01 -1.26 0.10 120.40 124.48 2k5n s VAL 64 Ca -0.02 0.43 -0.08 0.00 0.00 0.00 0.00 61.98 62.31 2k5n s VAL 64 Cb -0.14 -3.17 0.22 0.00 0.00 0.00 0.00 36.38 33.28 2k5n s VAL 64 CO 0.02 -0.09 0.78 -0.69 0.00 0.00 0.00 175.10 175.13 2k5n s VAL 65 N -1.61 5.09 0.37 2.92 1.01 0.55 -4.76 120.40 123.96 2k5n s VAL 65 Ca 0.77 -3.06 -0.01 0.00 0.00 0.00 0.00 61.98 59.68 2k5n s VAL 65 Cb -0.30 -4.15 -0.03 0.00 0.00 0.00 0.00 36.38 31.90 2k5n s VAL 65 CO 0.32 -1.05 0.59 -2.16 0.00 0.00 0.00 175.10 172.81 2k5n s PRO 66 N -0.51 3.51 0.03 2.72 0.04 -1.26 -4.53 135.00 134.99 2k5n s PRO 66 Ca 0.23 -0.21 0.16 0.00 0.04 0.00 0.00 61.00 61.21 2k5n s PRO 66 Cb -0.12 -2.61 -0.17 0.00 0.04 0.00 0.00 34.50 31.65 2k5n s PRO 66 CO -0.08 0.09 0.76 1.28 0.04 0.00 0.00 177.00 179.09 2k5n n LEU 67 N -1.80 0.84 -3.85 -3.56 4.77 -1.26 -4.82 117.00 107.31 2k5n n LEU 67 Ca -0.04 0.38 -0.19 0.00 -0.03 0.00 0.00 56.01 56.13 2k5n n LEU 67 Cb 0.56 0.11 -0.16 0.00 -2.33 0.00 0.00 43.42 41.59 2k5n n LEU 67 CO 0.49 0.22 -0.39 -0.70 -1.33 0.00 0.00 177.39 175.68 2k5n s GLU 68 N -2.83 0.61 0.53 3.23 2.12 -1.26 -5.02 118.70 116.09 2k5n s GLU 68 Ca -0.04 -0.02 0.34 0.00 0.36 0.00 0.00 54.97 55.62 2k5n s GLU 68 Cb 0.08 -0.72 1.49 0.00 0.26 0.00 0.00 34.13 35.25 2k5n s GLU 68 CO 0.82 -0.12 2.01 0.45 -0.54 0.00 0.00 175.26 177.87 2k5n h HIS 69 N 7.32 0.00 -4.14 5.30 3.86 -2.03 -3.48 115.15 121.98 2k5n h HIS 69 Ca -0.38 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.84 2k5n h HIS 69 Cb 1.14 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 29.57 2k5n h HIS 69 CO 0.50 0.00 -0.90 0.72 0.86 0.00 0.00 177.93 179.11 2k5n n HIS 70 N -2.96 -3.36 -1.55 2.45 -0.00 -1.26 -4.79 115.22 103.75 2k5n n HIS 70 Ca 0.00 1.98 -0.42 0.00 -0.00 0.00 0.00 57.72 59.29 2k5n n HIS 70 Cb 0.25 -3.29 -0.04 0.00 -0.00 0.00 0.00 29.99 26.91 2k5n n HIS 70 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2k5n n HIS 71 N 1.27 1.63 -3.30 4.41 -0.00 -1.26 -4.92 115.22 113.05 2k5n n HIS 71 Ca -0.13 0.06 -0.39 0.00 -0.00 0.00 0.00 57.72 57.26 2k5n n HIS 71 Cb 0.21 -2.64 -0.06 0.00 -0.00 0.00 0.00 29.99 27.49 2k5n n HIS 71 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2k5n s HIS 72 N 9.65 3.78 0.00 1.57 2.46 -1.26 -5.02 115.29 126.47 2k5n s HIS 72 Ca 1.03 1.23 0.00 0.00 0.47 0.00 0.00 55.06 57.79 2k5n s HIS 72 Cb -0.41 -2.48 0.00 0.00 -0.13 0.00 0.00 32.58 29.55 2k5n s HIS 72 CO 0.35 0.57 0.00 0.72 -2.47 0.00 0.00 174.74 173.91 2k5n n HIS 73 N 1.85 0.00 1.03 3.88 8.25 -1.26 -5.31 115.22 123.66 2k5n n HIS 73 Ca -0.10 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.48 2k5n n HIS 73 Cb 0.51 -0.21 0.12 0.00 1.12 0.00 0.00 29.99 31.53 2k5n n HIS 73 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70