#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 -1.60 -2.83 -5.12 0.00 -1.26 -4.88 120.51 104.81 2k5n n ALA 2 Ca 0.00 0.19 -0.34 0.00 0.00 0.00 0.00 53.44 53.30 2k5n n ALA 2 Cb 0.00 -0.55 -0.05 0.00 0.00 0.00 0.00 19.45 18.85 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 -1.35 3.51 0.29 0.00 1.00 -1.26 -5.01 119.30 116.47 2k5n s MET 3 Ca 0.00 -0.21 0.08 0.00 0.00 0.00 0.00 55.69 55.56 2k5n s MET 3 Cb 0.00 -3.07 -0.04 0.00 0.00 0.00 0.00 34.83 31.72 2k5n s MET 3 CO 0.00 0.65 0.17 0.54 0.00 0.00 0.00 175.02 176.38 2k5n s ASN 4 N -1.88 5.15 0.14 3.03 2.20 -1.26 -3.80 114.94 118.52 2k5n s ASN 4 Ca 0.28 -0.46 0.04 0.00 -0.94 0.00 0.00 52.86 51.79 2k5n s ASN 4 Cb -0.13 -1.10 -0.04 0.00 -2.00 0.00 0.00 41.25 37.98 2k5n s ASN 4 CO 0.18 -0.13 -0.10 -0.83 -2.94 0.00 0.00 177.10 173.28 2k5n s GLY 5 N -3.84 1.05 -0.13 0.45 0.00 0.53 -3.09 107.32 102.29 2k5n s GLY 5 Ca 0.35 -1.47 -0.03 0.00 0.00 0.00 0.00 44.72 43.57 2k5n s GLY 5 CO 0.24 -1.57 -0.03 -1.59 0.00 0.00 0.00 173.10 170.15 2k5n s THR 6 N -3.28 4.02 -0.05 0.90 2.01 0.67 -0.12 115.64 119.79 2k5n s THR 6 Ca 0.16 -0.33 -0.30 0.00 0.31 0.00 0.00 61.69 61.53 2k5n s THR 6 Cb 0.02 -2.73 -0.03 0.00 0.01 0.00 0.00 72.50 69.78 2k5n s THR 6 CO 0.00 0.53 1.09 -0.63 -0.69 0.00 0.00 174.62 174.93 2k5n s ILE 7 N -0.08 4.52 -0.04 1.82 1.01 0.73 -1.35 121.20 127.81 2k5n s ILE 7 Ca 0.03 1.82 -0.04 0.00 0.00 0.00 0.00 60.65 62.45 2k5n s ILE 7 Cb -0.13 -4.17 -0.03 0.00 0.01 0.00 0.00 42.46 38.15 2k5n s ILE 7 CO 0.02 0.04 -0.09 0.35 0.00 0.00 0.00 174.94 175.26 2k5n n THR 8 N 4.41 0.68 -4.54 2.92 -2.24 -1.16 -1.86 114.28 112.48 2k5n n THR 8 Ca 0.09 0.03 -0.33 0.00 -2.27 0.00 0.00 64.05 61.58 2k5n n THR 8 Cb 0.48 -1.66 -0.16 0.00 -2.10 0.00 0.00 70.33 66.89 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 -2.17 2.32 -0.04 4.28 2.01 -0.78 -4.78 115.64 116.49 2k5n s THR 9 Ca -0.09 -0.89 -0.01 0.00 0.31 0.00 0.00 61.69 61.01 2k5n s THR 9 Cb 0.03 -1.96 0.03 0.00 0.01 0.00 0.00 72.50 70.61 2k5n s THR 9 CO 0.12 0.53 0.03 0.86 -0.69 0.00 0.00 174.62 175.47 2k5n s TRP 10 N 0.88 0.23 -0.61 4.92 -0.11 -1.26 0.47 118.94 123.45 2k5n s TRP 10 Ca -0.05 0.08 -0.17 0.00 1.22 0.00 0.00 56.10 57.19 2k5n s TRP 10 Cb -0.15 -0.46 0.14 0.00 -1.50 0.00 0.00 33.47 31.50 2k5n s TRP 10 CO -0.02 -0.17 0.62 -0.06 -4.62 0.00 0.00 176.95 172.70 2k5n s PHE 11 N 1.54 3.25 0.31 5.86 0.08 -0.06 -4.91 117.98 124.05 2k5n s PHE 11 Ca -0.03 -1.31 0.00 0.00 0.12 0.00 0.00 56.93 55.71 2k5n s PHE 11 Cb -0.13 -3.88 0.49 0.00 -0.57 0.00 0.00 43.02 38.93 2k5n s PHE 11 CO -0.03 -1.11 1.89 -0.22 -0.10 0.00 0.00 175.22 175.65 2k5n h LYS 12 N 8.80 0.82 0.00 0.44 1.63 -1.98 0.32 116.57 126.59 2k5n h LYS 12 Ca -0.22 -0.12 -0.01 0.00 -0.85 0.00 0.00 60.65 59.44 2k5n h LYS 12 Cb 1.08 -0.15 -0.00 0.00 -0.60 0.00 0.00 32.23 32.57 2k5n h LYS 12 CO 1.02 0.67 -0.07 0.22 -3.45 0.00 0.00 179.45 177.84 2k5n h ASP 13 N 0.81 0.00 0.00 4.20 3.58 -1.95 -3.34 116.42 119.72 2k5n h ASP 13 Ca 0.19 0.00 -0.40 0.00 0.42 0.00 0.00 57.03 57.24 2k5n h ASP 13 Cb 0.16 0.00 -0.06 0.00 1.72 0.00 0.00 39.33 41.15 2k5n h ASP 13 CO -0.02 0.07 -2.36 0.29 -2.88 0.00 0.00 179.24 174.34 2k5n n LYS 14 N -3.19 0.53 0.00 0.28 4.76 -0.51 -5.03 118.16 115.00 2k5n n LYS 14 Ca 0.01 0.21 0.00 0.00 -2.87 0.00 0.00 58.31 55.66 2k5n n LYS 14 Cb 0.36 -1.39 0.00 0.00 -1.84 0.00 0.00 35.03 32.16 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 1.65 1.12 3.28 0.72 0.00 0.10 -5.04 105.19 107.02 2k5n n GLY 15 Ca -0.47 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.41 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 1.23 0.00 1.61 -0.12 -1.24 -1.12 117.98 116.35 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 -0.49 0.00 0.00 -0.63 0.00 0.00 43.02 41.90 2k5n s PHE 16 CO 0.00 -0.77 0.00 0.41 -0.05 0.00 0.00 175.22 174.81 2k5n n GLY 17 N -0.39 1.14 2.84 1.99 0.00 -0.18 -0.88 105.19 109.70 2k5n n GLY 17 Ca 0.03 -0.81 -0.18 0.00 0.00 0.00 0.00 46.02 45.06 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 -3.86 0.44 -0.02 1.61 0.08 0.18 -0.82 117.98 115.57 2k5n s PHE 18 Ca 0.00 -0.06 0.05 0.00 0.12 0.00 0.00 56.93 57.04 2k5n s PHE 18 Cb 0.00 -0.48 -0.01 0.00 -0.57 0.00 0.00 43.02 41.96 2k5n s PHE 18 CO 0.00 -0.15 -0.16 0.42 -0.10 0.00 0.00 175.22 175.23 2k5n s ILE 19 N 0.99 1.30 -0.27 0.64 1.01 -0.98 -1.86 121.20 122.03 2k5n s ILE 19 Ca -0.10 -0.69 -0.19 0.00 0.00 0.00 0.00 60.65 59.67 2k5n s ILE 19 Cb -0.14 -1.10 -0.02 0.00 0.01 0.00 0.00 42.46 41.21 2k5n s ILE 19 CO -0.01 0.37 0.54 -0.54 0.00 0.00 0.00 174.94 175.31 2k5n s LYS 20 N -0.25 4.01 0.29 2.79 -0.14 -0.46 -1.38 119.74 124.60 2k5n s LYS 20 Ca 0.03 0.30 -0.03 0.00 -1.36 0.00 0.00 55.97 54.92 2k5n s LYS 20 Cb -0.08 -3.68 0.06 0.00 -1.68 0.00 0.00 37.83 32.46 2k5n s LYS 20 CO 0.00 -0.42 0.40 -0.40 -0.76 0.00 0.00 175.35 174.17 2k5n n ASP 21 N 5.63 0.25 0.15 2.83 5.75 -1.20 -0.24 116.55 129.72 2k5n n ASP 21 Ca -0.03 -1.28 0.04 0.00 -0.01 0.00 0.00 54.79 53.51 2k5n n ASP 21 Cb 0.49 -0.28 0.08 0.00 -1.03 0.00 0.00 41.12 40.38 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 -3.41 114.58 114.46 2k5n h GLU 22 Ca -0.13 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.23 2k5n h GLU 22 Cb 0.41 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.66 2k5n h GLU 22 CO 0.11 0.43 -0.87 -1.71 -1.00 0.00 0.00 179.01 175.97 2k5n n ASN 23 N -3.24 2.05 0.00 1.42 5.15 -1.26 -5.03 115.26 114.35 2k5n n ASN 23 Ca 0.02 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.00 2k5n n ASN 23 Cb 0.69 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.94 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 3.07 1.35 0.00 8.20 0.00 -1.26 -5.13 105.19 111.41 2k5n n GLY 24 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -4.71 1.61 2.03 -1.26 -4.97 116.55 109.25 2k5n n ASP 25 Ca 0.00 0.00 -0.42 0.00 0.52 0.00 0.00 54.79 54.89 2k5n n ASP 25 Cb 0.00 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.37 2k5n n ASP 25 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2k5n s ASN 26 N 2.00 7.14 0.05 1.67 6.03 -1.26 -3.26 114.94 127.32 2k5n s ASN 26 Ca 0.00 1.94 0.05 0.00 -1.03 0.00 0.00 52.86 53.83 2k5n s ASN 26 Cb 0.00 -2.58 -0.04 0.00 -3.03 0.00 0.00 41.25 35.61 2k5n s ASN 26 CO 0.00 -0.42 -0.09 -0.13 -2.03 0.00 0.00 177.10 174.43 2k5n s ARG 27 N 1.03 2.33 -0.27 3.55 0.52 -0.48 -4.30 118.95 121.33 2k5n s ARG 27 Ca 0.57 -0.88 -0.29 0.00 -0.52 0.00 0.00 55.73 54.61 2k5n s ARG 27 Cb -0.28 -2.39 0.01 0.00 0.52 0.00 0.00 34.95 32.81 2k5n s ARG 27 CO 0.29 0.55 1.13 -0.47 0.02 0.00 0.00 175.30 176.83 2k5n s TYR 28 N -1.10 3.07 0.11 -0.53 6.14 0.55 -2.32 117.35 123.27 2k5n s TYR 28 Ca 0.19 1.18 0.06 0.00 0.64 0.00 0.00 57.07 59.15 2k5n s TYR 28 Cb -0.11 -3.59 -0.04 0.00 0.42 0.00 0.00 41.96 38.63 2k5n s TYR 28 CO 0.11 -1.00 -0.05 -0.06 0.64 0.00 0.00 175.55 175.18 2k5n s PHE 29 N 3.64 2.84 -0.12 4.97 0.40 -0.00 -3.98 117.98 125.73 2k5n s PHE 29 Ca 0.48 -0.11 -0.09 0.00 -0.60 0.00 0.00 56.93 56.62 2k5n s PHE 29 Cb -0.15 -1.46 0.04 0.00 0.51 0.00 0.00 43.02 41.95 2k5n s PHE 29 CO 0.14 0.46 0.30 -1.58 0.70 0.00 0.00 175.22 175.24 2k5n s HIS 30 N -1.30 -0.36 0.45 0.36 2.46 -1.26 -1.01 115.29 114.62 2k5n s HIS 30 Ca 0.24 0.86 0.28 0.00 0.47 0.00 0.00 55.06 56.90 2k5n s HIS 30 Cb -0.11 0.12 1.35 0.00 -0.13 0.00 0.00 32.58 33.80 2k5n s HIS 30 CO 0.16 -0.20 1.70 -0.24 -2.47 0.00 0.00 174.74 173.69 2k5n h VAL 31 N 5.09 0.30 -0.58 0.89 3.04 -1.50 -1.01 116.25 122.49 2k5n h VAL 31 Ca -0.31 -0.06 0.05 0.00 -1.01 0.00 0.00 66.70 65.37 2k5n h VAL 31 Cb 1.18 0.11 -0.03 0.00 -2.01 0.00 0.00 31.29 30.54 2k5n h VAL 31 CO 0.33 0.03 0.38 -0.29 -1.01 0.00 0.00 177.57 177.02 2k5n h ILE 32 N 0.18 1.01 -0.63 3.17 2.10 -1.97 -1.65 117.51 119.72 2k5n h ILE 32 Ca 0.71 -0.20 0.00 0.00 1.08 0.00 0.00 64.86 66.45 2k5n h ILE 32 Cb 2.21 0.38 0.00 0.00 -1.09 0.00 0.00 36.82 38.32 2k5n h ILE 32 CO -0.29 0.11 0.00 0.29 -1.08 0.00 0.00 178.15 177.18 2k5n n LYS 33 N -4.47 3.86 -4.83 2.19 4.76 -0.38 -4.90 118.16 114.39 2k5n n LYS 33 Ca 0.08 -2.92 -0.33 0.00 -2.87 0.00 0.00 58.31 52.27 2k5n n LYS 33 Cb 0.21 -1.93 -0.14 0.00 -1.84 0.00 0.00 35.03 31.33 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 -1.96 3.07 0.10 -0.18 1.01 -0.62 -0.17 120.40 121.65 2k5n s VAL 34 Ca 0.51 -0.69 -0.10 0.00 0.00 0.00 0.00 61.98 61.71 2k5n s VAL 34 Cb 0.34 -2.25 -0.19 0.00 0.00 0.00 0.00 36.38 34.28 2k5n s VAL 34 CO 0.23 0.56 1.27 0.00 0.00 0.00 0.00 175.10 177.16 2k5n h ALA 35 N 6.08 0.27 -2.44 5.51 0.00 -1.26 -3.40 119.26 124.01 2k5n h ALA 35 Ca -0.35 -0.68 -0.59 0.00 0.00 0.00 0.00 54.91 53.29 2k5n h ALA 35 Cb 1.19 0.01 -0.39 0.00 0.00 0.00 0.00 17.79 18.60 2k5n h ALA 35 CO 0.53 0.73 -0.90 0.27 0.00 0.00 0.00 179.25 179.88 2k5n n ASN 36 N -3.84 0.49 0.26 0.00 0.23 -1.26 -4.98 115.26 106.15 2k5n n ASN 36 Ca -0.09 -2.63 0.16 0.00 -0.53 0.00 0.00 54.58 51.49 2k5n n ASN 36 Cb 0.83 -0.61 0.55 0.00 -2.08 0.00 0.00 39.78 38.47 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 5.28 0.00 0.00 -0.53 0.13 -1.90 -2.87 132.00 132.11 2k5n h PRO 37 Ca 0.21 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.29 2k5n h PRO 37 Cb 0.86 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.99 2k5n h PRO 37 CO 0.47 0.00 -0.25 0.22 -0.23 0.00 0.00 178.00 178.21 2k5n h ASP 38 N 0.00 0.00 1.09 1.44 3.58 -1.97 -2.89 116.42 117.66 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 0.63 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.68 2k5n h ASP 38 CO 0.00 0.25 0.00 0.18 -2.88 0.00 0.00 179.24 176.79 2k5n n LEU 39 N -3.19 0.24 -4.64 2.28 4.77 -1.08 -4.70 117.00 110.68 2k5n n LEU 39 Ca 0.02 0.53 -0.43 0.00 -0.03 0.00 0.00 56.01 56.10 2k5n n LEU 39 Cb 0.60 -0.45 -0.02 0.00 -2.33 0.00 0.00 43.42 41.21 2k5n n LEU 39 CO 0.37 -0.08 1.30 -0.63 -1.33 0.00 0.00 177.39 177.01 2k5n s ILE 40 N -3.04 3.82 0.26 -0.08 1.01 -1.09 -4.97 121.20 117.11 2k5n s ILE 40 Ca 0.12 0.94 -0.18 0.00 0.00 0.00 0.00 60.65 61.53 2k5n s ILE 40 Cb 0.16 -3.78 0.01 0.00 0.01 0.00 0.00 42.46 38.86 2k5n s ILE 40 CO 0.53 -0.28 0.62 -1.59 0.00 0.00 0.00 174.94 174.22 2k5n s LYS 41 N 4.39 1.68 0.38 2.79 -2.85 -1.26 -5.05 119.74 119.82 2k5n s LYS 41 Ca 0.67 -1.06 -0.28 0.00 -1.00 0.00 0.00 55.97 54.30 2k5n s LYS 41 Cb -0.24 0.56 -0.11 0.00 -2.06 0.00 0.00 37.83 35.98 2k5n s LYS 41 CO 0.27 -0.74 1.46 0.21 0.10 0.00 0.00 175.35 176.65 2k5n s LYS 42 N -3.95 4.09 0.00 1.78 2.36 -1.26 -2.22 119.74 120.54 2k5n s LYS 42 Ca 0.15 2.53 0.00 0.00 -2.55 0.00 0.00 55.97 56.09 2k5n s LYS 42 Cb -0.04 -2.95 0.00 0.00 -1.05 0.00 0.00 37.83 33.79 2k5n s LYS 42 CO 0.07 -0.53 0.00 -3.47 1.55 0.00 0.00 175.35 172.97 2k5n n ASP 43 N 0.43 -1.47 -4.91 1.43 2.03 -0.78 -4.99 116.55 108.28 2k5n n ASP 43 Ca 0.01 0.00 -0.28 0.00 0.52 0.00 0.00 54.79 55.05 2k5n n ASP 43 Cb 0.40 -0.71 -0.02 0.00 -0.72 0.00 0.00 41.12 40.06 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 -2.77 3.61 0.07 -1.67 0.00 -0.94 -4.86 121.76 115.20 2k5n s ALA 44 Ca 0.00 -0.62 0.04 0.00 0.00 0.00 0.00 51.96 51.38 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 0.13 0.00 0.00 0.00 0.00 0.00 175.76 175.90 2k5n s ALA 45 N -2.19 3.30 0.05 0.00 0.00 -1.26 -0.19 121.76 121.47 2k5n s ALA 45 Ca 0.44 -1.08 0.03 0.00 0.00 0.00 0.00 51.96 51.34 2k5n s ALA 45 Cb -0.10 -1.23 -0.02 0.00 0.00 0.00 0.00 23.12 21.76 2k5n s ALA 45 CO 0.32 0.70 -0.09 0.14 0.00 0.00 0.00 175.76 176.83 2k5n s VAL 46 N -1.28 0.65 -0.09 0.00 -7.23 0.84 0.30 120.40 113.59 2k5n s VAL 46 Ca 0.25 -1.11 -0.00 0.00 -1.81 0.00 0.00 61.98 59.31 2k5n s VAL 46 Cb -0.12 -0.69 -0.03 0.00 0.56 0.00 0.00 36.38 36.10 2k5n s VAL 46 CO 0.17 -0.34 -0.05 0.42 -0.31 0.00 0.00 175.10 174.99 2k5n s THR 47 N -1.33 3.84 0.33 5.32 -4.23 0.11 -0.35 115.64 119.32 2k5n s THR 47 Ca -0.08 -0.42 -0.15 0.00 -1.18 0.00 0.00 61.69 59.86 2k5n s THR 47 Cb -0.10 -2.60 0.06 0.00 1.34 0.00 0.00 72.50 71.20 2k5n s THR 47 CO 0.01 0.58 0.77 2.22 -0.54 0.00 0.00 174.62 177.66 2k5n n PHE 48 N 2.46 -2.11 -4.16 3.99 1.16 -1.25 -0.37 117.46 117.19 2k5n n PHE 48 Ca -0.18 -1.63 -0.35 0.00 -1.87 0.00 0.00 57.45 53.42 2k5n n PHE 48 Cb 0.53 0.81 -0.08 0.00 -1.61 0.00 0.00 39.48 39.14 2k5n n PHE 48 CO 0.00 0.00 0.00 -1.83 -1.87 0.00 0.00 176.76 173.06 2k5n s GLU 49 N -2.08 3.12 0.06 3.97 -1.05 -0.79 -4.21 118.70 117.72 2k5n s GLU 49 Ca 0.16 -0.37 -0.22 0.00 -0.15 0.00 0.00 54.97 54.38 2k5n s GLU 49 Cb -0.04 -2.91 -0.06 0.00 -0.44 0.00 0.00 34.13 30.68 2k5n s GLU 49 CO 0.10 0.70 0.67 -1.25 0.95 0.00 0.00 175.26 176.43 2k5n s PRO 50 N -1.25 4.39 0.27 -4.83 0.05 -1.26 -2.83 135.00 129.53 2k5n s PRO 50 Ca 0.17 0.91 -0.20 0.00 0.05 0.00 0.00 61.00 61.93 2k5n s PRO 50 Cb -0.12 -3.31 0.02 0.00 0.05 0.00 0.00 34.50 31.15 2k5n s PRO 50 CO 0.07 0.45 0.69 -0.08 0.05 0.00 0.00 177.00 178.18 2k5n s THR 51 N -0.56 0.00 0.19 1.26 -1.32 -0.95 -5.00 115.64 109.26 2k5n s THR 51 Ca 0.33 -0.98 0.07 0.00 -1.21 0.00 0.00 61.69 59.91 2k5n s THR 51 Cb -0.20 -1.96 -0.04 0.00 -1.51 0.00 0.00 72.50 68.79 2k5n s THR 51 CO 0.21 -0.00 0.03 -0.89 -2.21 0.00 0.00 174.62 171.76 2k5n s THR 52 N -3.92 3.86 0.12 5.08 2.01 -1.26 -1.77 115.64 119.75 2k5n s THR 52 Ca 0.11 -1.44 0.04 0.00 0.31 0.00 0.00 61.69 60.72 2k5n s THR 52 Cb -0.05 -2.97 -0.04 0.00 0.01 0.00 0.00 72.50 69.45 2k5n s THR 52 CO 0.06 -0.16 -0.10 0.21 -0.69 0.00 0.00 174.62 173.94 2k5n s ASN 53 N -3.13 1.59 0.00 3.53 3.84 0.27 -4.74 114.94 116.29 2k5n s ASN 53 Ca 0.29 -0.92 0.03 0.00 0.21 0.00 0.00 52.86 52.48 2k5n s ASN 53 Cb -0.09 0.01 0.20 0.00 -0.55 0.00 0.00 41.25 40.82 2k5n s ASN 53 CO 0.20 -0.31 1.06 0.59 -2.79 0.00 0.00 177.10 175.86 2k5n n ASN 54 N 0.18 0.00 -0.34 -4.21 3.02 -1.26 -2.32 115.26 110.33 2k5n n ASN 54 Ca -0.13 -1.75 0.03 0.00 -0.03 0.00 0.00 54.58 52.69 2k5n n ASN 54 Cb 0.59 0.00 0.04 0.00 -0.61 0.00 0.00 39.78 39.80 2k5n n ASN 54 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 2k5n n LYS 55 N -0.56 0.42 0.00 3.52 4.81 -1.26 -5.12 118.16 119.97 2k5n n LYS 55 Ca 0.03 -1.41 0.00 0.00 -0.87 0.00 0.00 58.31 56.06 2k5n n LYS 55 Cb 0.01 -0.78 0.00 0.00 0.02 0.00 0.00 35.03 34.28 2k5n n LYS 55 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2k5n n GLY 56 N -0.40 0.62 3.92 3.14 0.00 -0.98 -5.04 105.19 106.45 2k5n n GLY 56 Ca 0.04 -1.56 -0.29 0.00 0.00 0.00 0.00 46.02 44.21 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 4.29 0.18 0.99 1.43 -1.26 -0.57 118.68 123.75 2k5n s LEU 57 Ca 0.00 0.19 -0.06 0.00 -1.03 0.00 0.00 54.13 53.24 2k5n s LEU 57 Cb 0.00 -2.89 -0.02 0.00 0.03 0.00 0.00 46.19 43.31 2k5n s LEU 57 CO 0.00 0.12 0.23 -0.94 0.23 0.00 0.00 176.35 175.98 2k5n s SER 58 N -2.83 0.10 0.03 2.29 1.04 -0.73 -0.33 113.70 113.26 2k5n s SER 58 Ca 0.34 -1.11 -0.13 0.00 0.48 0.00 0.00 55.95 55.53 2k5n s SER 58 Cb -0.12 0.42 0.02 0.00 0.10 0.00 0.00 66.02 66.44 2k5n s SER 58 CO 0.28 -0.89 0.28 0.00 0.98 0.00 0.00 173.24 173.88 2k5n s ALA 59 N -4.05 -0.64 0.28 5.32 0.00 -1.26 -2.23 121.76 119.19 2k5n s ALA 59 Ca 0.26 0.03 0.03 0.00 0.00 0.00 0.00 51.96 52.29 2k5n s ALA 59 Cb 0.05 0.24 -0.06 0.00 0.00 0.00 0.00 23.12 23.35 2k5n s ALA 59 CO 0.06 -0.36 0.04 0.71 0.00 0.00 0.00 175.76 176.21 2k5n s TYR 60 N -2.19 1.75 -1.22 0.00 2.02 -1.13 -4.88 117.35 111.70 2k5n s TYR 60 Ca -0.08 -0.98 -0.11 0.00 -0.37 0.00 0.00 57.07 55.54 2k5n s TYR 60 Cb -0.02 -1.07 -0.01 0.00 -0.40 0.00 0.00 41.96 40.45 2k5n s TYR 60 CO -0.01 -0.06 0.71 0.00 -1.57 0.00 0.00 175.55 174.62 2k5n n ALA 61 N -0.55 -2.32 -2.63 3.71 0.00 -1.20 -1.89 120.51 115.62 2k5n n ALA 61 Ca -0.03 -0.19 -0.42 0.00 0.00 0.00 0.00 53.44 52.79 2k5n n ALA 61 Cb 0.65 -3.29 -0.03 0.00 0.00 0.00 0.00 19.45 16.78 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 -3.60 4.66 -0.16 0.00 1.01 0.76 -4.32 120.40 118.75 2k5n s VAL 62 Ca 0.28 1.57 0.01 0.00 0.00 0.00 0.00 61.98 63.83 2k5n s VAL 62 Cb -0.09 -4.28 0.02 0.00 0.00 0.00 0.00 36.38 32.03 2k5n s VAL 62 CO 0.84 -0.32 -0.17 -0.54 0.00 0.00 0.00 175.10 174.91 2k5n s LYS 63 N 3.27 2.62 0.38 2.72 1.02 0.50 -0.82 119.74 129.43 2k5n s LYS 63 Ca 0.40 -0.69 -0.26 0.00 0.02 0.00 0.00 55.97 55.43 2k5n s LYS 63 Cb -0.14 -2.33 -0.09 0.00 -0.52 0.00 0.00 37.83 34.75 2k5n s LYS 63 CO 0.12 -0.23 1.23 0.08 -0.92 0.00 0.00 175.35 175.63 2k5n s VAL 64 N 1.39 2.93 -0.75 3.17 1.01 -1.26 0.05 120.40 126.93 2k5n s VAL 64 Ca 0.05 0.83 -0.04 0.00 0.00 0.00 0.00 61.98 62.83 2k5n s VAL 64 Cb -0.13 -3.49 0.19 0.00 0.00 0.00 0.00 36.38 32.95 2k5n s VAL 64 CO -0.12 0.12 0.61 -0.69 0.00 0.00 0.00 175.10 175.03 2k5n s VAL 65 N -1.30 4.17 0.83 2.92 1.01 0.15 -4.83 120.40 123.35 2k5n s VAL 65 Ca 0.55 -3.27 -0.10 0.00 0.00 0.00 0.00 61.98 59.15 2k5n s VAL 65 Cb -0.35 -3.65 0.13 0.00 0.00 0.00 0.00 36.38 32.51 2k5n s VAL 65 CO 0.44 -0.98 1.16 -2.16 0.00 0.00 0.00 175.10 173.57 2k5n s PRO 66 N -0.56 1.48 -1.96 2.72 0.04 -1.26 -4.03 135.00 131.44 2k5n s PRO 66 Ca 0.21 -0.36 0.00 0.00 0.04 0.00 0.00 61.00 60.89 2k5n s PRO 66 Cb -0.14 -2.02 0.00 0.00 0.04 0.00 0.00 34.50 32.38 2k5n s PRO 66 CO -0.07 -1.79 0.00 1.28 0.04 0.00 0.00 177.00 176.45 2k5n n LEU 67 N -3.32 -1.68 0.14 -3.56 4.32 -1.26 -4.87 117.00 106.77 2k5n n LEU 67 Ca 0.12 0.26 -0.13 0.00 -0.02 0.00 0.00 56.01 56.23 2k5n n LEU 67 Cb 0.60 -2.85 -0.06 0.00 -1.62 0.00 0.00 43.42 39.49 2k5n n LEU 67 CO 0.49 -0.65 0.68 -0.08 -1.22 0.00 0.00 177.39 176.61 2k5n h GLU 68 N 0.00 -0.49 -6.78 3.23 4.57 -1.99 -3.40 114.58 109.72 2k5n h GLU 68 Ca -0.45 0.03 -0.69 0.00 -1.18 0.00 0.00 59.36 57.08 2k5n h GLU 68 Cb 1.34 0.11 -0.23 0.00 -0.16 0.00 0.00 28.75 29.81 2k5n h GLU 68 CO 0.59 -0.33 -0.86 -3.38 -1.18 0.00 0.00 179.01 173.85 2k5n s HIS 69 N -6.05 2.37 0.40 0.92 -3.43 -1.26 -5.12 115.29 103.12 2k5n s HIS 69 Ca -0.16 -0.36 -0.25 0.00 -0.80 0.00 0.00 55.06 53.49 2k5n s HIS 69 Cb 0.07 -1.34 -0.08 0.00 -1.43 0.00 0.00 32.58 29.79 2k5n s HIS 69 CO 0.65 0.25 1.13 -1.01 -2.00 0.00 0.00 174.74 173.76 2k5n s HIS 70 N -0.95 3.12 -0.26 0.38 3.76 -1.26 -4.96 115.29 115.12 2k5n s HIS 70 Ca 0.14 1.58 -0.09 0.00 -0.15 0.00 0.00 55.06 56.54 2k5n s HIS 70 Cb -0.10 -3.32 -0.13 0.00 1.11 0.00 0.00 32.58 30.14 2k5n s HIS 70 CO 0.05 -1.13 -0.30 1.58 -0.85 0.00 0.00 174.74 174.09 2k5n n HIS 71 N 0.03 0.00 0.00 1.40 -0.00 -1.26 -5.00 115.22 110.39 2k5n n HIS 71 Ca 0.05 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.23 2k5n n HIS 71 Cb 0.47 -0.95 0.00 0.00 -0.12 0.00 0.00 29.99 29.40 2k5n n HIS 71 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 2k5n n HIS 72 N -3.88 0.00 0.00 1.57 -0.00 -1.26 -4.49 115.22 107.16 2k5n n HIS 72 Ca -0.49 0.00 0.00 0.00 0.46 0.00 0.00 57.72 57.69 2k5n n HIS 72 Cb 0.90 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.77 2k5n n HIS 72 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 2k5n n HIS 73 N 0.00 0.00 -1.80 1.57 8.25 -1.26 -5.31 115.22 116.67 2k5n n HIS 73 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2k5n n HIS 73 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 2k5n n HIS 73 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56