#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 3.49 0.23 -5.12 0.00 -1.26 -4.17 121.76 114.93 2k5n s ALA 2 Ca 0.00 -0.24 0.09 0.00 0.00 0.00 0.00 51.96 51.81 2k5n s ALA 2 Cb 0.00 -2.66 -0.04 0.00 0.00 0.00 0.00 23.12 20.42 2k5n s ALA 2 CO 0.00 -0.06 -0.00 -1.64 0.00 0.00 0.00 175.76 174.06 2k5n s MET 3 N 0.76 2.33 0.07 0.00 1.00 0.12 -4.90 119.30 118.68 2k5n s MET 3 Ca 0.25 -1.29 -0.05 0.00 0.00 0.00 0.00 55.69 54.60 2k5n s MET 3 Cb -0.15 -2.24 -0.05 0.00 0.00 0.00 0.00 34.83 32.39 2k5n s MET 3 CO 0.10 0.40 0.31 0.54 0.00 0.00 0.00 175.02 176.37 2k5n s ASN 4 N -3.38 6.48 0.16 3.03 2.20 -1.26 -1.42 114.94 120.75 2k5n s ASN 4 Ca 0.30 0.54 -0.07 0.00 -0.94 0.00 0.00 52.86 52.68 2k5n s ASN 4 Cb -0.08 -2.07 -0.02 0.00 -2.00 0.00 0.00 41.25 37.09 2k5n s ASN 4 CO 0.19 0.16 0.24 -0.83 -2.94 0.00 0.00 177.10 173.92 2k5n s GLY 5 N -2.11 0.61 -0.06 0.45 0.00 -0.43 -2.72 107.32 103.05 2k5n s GLY 5 Ca 0.34 -1.03 0.06 0.00 0.00 0.00 0.00 44.72 44.09 2k5n s GLY 5 CO 0.21 -0.96 -0.25 -1.59 0.00 0.00 0.00 173.10 170.52 2k5n s THR 6 N -3.99 2.02 -0.25 0.90 2.01 0.25 -1.28 115.64 115.29 2k5n s THR 6 Ca 0.19 -1.04 -0.29 0.00 0.31 0.00 0.00 61.69 60.86 2k5n s THR 6 Cb 0.04 -1.71 -0.00 0.00 0.01 0.00 0.00 72.50 70.84 2k5n s THR 6 CO 0.01 0.56 1.24 -0.63 -0.69 0.00 0.00 174.62 175.10 2k5n s ILE 7 N -0.12 4.28 -0.25 1.82 1.01 -0.58 -0.85 121.20 126.51 2k5n s ILE 7 Ca -0.04 1.50 -0.08 0.00 0.00 0.00 0.00 60.65 62.02 2k5n s ILE 7 Cb -0.14 -4.15 -0.13 0.00 0.01 0.00 0.00 42.46 38.05 2k5n s ILE 7 CO 0.04 -0.34 -0.29 0.35 0.00 0.00 0.00 174.94 174.70 2k5n n THR 8 N 5.82 1.40 -4.31 2.92 -2.24 -0.95 0.17 114.28 117.10 2k5n n THR 8 Ca 0.14 -0.42 -0.30 0.00 -2.27 0.00 0.00 64.05 61.20 2k5n n THR 8 Cb 0.46 -1.68 -0.17 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 -2.48 1.61 -0.14 4.28 2.01 -0.46 -4.79 115.64 115.68 2k5n s THR 9 Ca -0.35 -0.69 -0.01 0.00 0.31 0.00 0.00 61.69 60.95 2k5n s THR 9 Cb 0.12 -1.48 0.04 0.00 0.01 0.00 0.00 72.50 71.19 2k5n s THR 9 CO 0.49 0.46 -0.02 0.86 -0.69 0.00 0.00 174.62 175.72 2k5n s TRP 10 N 1.17 1.25 -0.74 4.92 -0.00 -1.26 0.19 118.94 124.46 2k5n s TRP 10 Ca -0.02 -0.74 -0.09 0.00 -0.00 0.00 0.00 56.10 55.25 2k5n s TRP 10 Cb -0.14 -1.10 0.19 0.00 -0.00 0.00 0.00 33.47 32.42 2k5n s TRP 10 CO -0.05 -0.52 0.63 -0.06 -0.00 0.00 0.00 176.95 176.94 2k5n s PHE 11 N 1.78 3.61 0.28 5.86 0.08 -0.62 -4.91 117.98 124.07 2k5n s PHE 11 Ca 0.02 -2.29 -0.03 0.00 0.12 0.00 0.00 56.93 54.75 2k5n s PHE 11 Cb -0.14 -3.56 0.39 0.00 -0.57 0.00 0.00 43.02 39.13 2k5n s PHE 11 CO -0.07 -0.93 1.94 -0.22 -0.10 0.00 0.00 175.22 175.84 2k5n h LYS 12 N 7.48 1.16 0.00 0.44 1.63 -1.96 0.11 116.57 125.43 2k5n h LYS 12 Ca 0.05 -0.07 -0.10 0.00 -0.85 0.00 0.00 60.65 59.68 2k5n h LYS 12 Cb 1.00 -0.26 -0.01 0.00 -0.60 0.00 0.00 32.23 32.36 2k5n h LYS 12 CO 0.74 0.77 -0.46 0.22 -3.45 0.00 0.00 179.45 177.27 2k5n h ASP 13 N 1.20 0.00 0.32 4.20 3.58 -1.93 -3.21 116.42 120.57 2k5n h ASP 13 Ca 0.35 0.00 -0.33 0.00 0.42 0.00 0.00 57.03 57.47 2k5n h ASP 13 Cb -0.08 0.00 0.01 0.00 1.72 0.00 0.00 39.33 40.98 2k5n h ASP 13 CO -0.09 0.46 -1.60 0.11 -2.88 0.00 0.00 179.24 175.24 2k5n h LYS 14 N 0.00 0.37 0.00 0.28 1.79 -1.81 -3.48 116.57 113.72 2k5n h LYS 14 Ca -0.00 -0.63 0.00 0.00 -2.18 0.00 0.00 60.65 57.84 2k5n h LYS 14 Cb 1.15 0.23 0.00 0.00 -1.58 0.00 0.00 32.23 32.03 2k5n h LYS 14 CO 0.06 1.27 0.00 0.41 -1.08 0.00 0.00 179.45 180.11 2k5n n GLY 15 N 1.75 0.77 3.38 3.86 0.00 0.33 -5.07 105.19 110.20 2k5n n GLY 15 Ca -0.19 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.67 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 1.27 0.00 1.61 -0.71 -1.17 -1.77 117.98 115.21 2k5n s PHE 16 Ca 0.00 -1.40 0.00 0.00 -1.04 0.00 0.00 56.93 54.49 2k5n s PHE 16 Cb 0.00 -0.37 0.00 0.00 -1.21 0.00 0.00 43.02 41.44 2k5n s PHE 16 CO 0.00 -0.95 0.00 0.41 -1.34 0.00 0.00 175.22 173.34 2k5n n GLY 17 N -0.52 1.49 2.81 1.99 0.00 0.02 -1.58 105.19 109.40 2k5n n GLY 17 Ca 0.03 -0.89 -0.16 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 -5.70 0.24 -0.09 1.61 0.08 0.13 -1.12 117.98 113.14 2k5n s PHE 18 Ca 0.00 0.02 0.04 0.00 0.12 0.00 0.00 56.93 57.11 2k5n s PHE 18 Cb 0.00 -0.35 0.00 0.00 -0.57 0.00 0.00 43.02 42.10 2k5n s PHE 18 CO 0.00 -0.11 -0.21 0.42 -0.10 0.00 0.00 175.22 175.22 2k5n s ILE 19 N 0.95 1.79 -0.28 0.64 1.01 -1.03 -1.35 121.20 122.92 2k5n s ILE 19 Ca -0.09 -0.87 -0.09 0.00 0.00 0.00 0.00 60.65 59.60 2k5n s ILE 19 Cb -0.13 -1.56 -0.02 0.00 0.01 0.00 0.00 42.46 40.76 2k5n s ILE 19 CO -0.02 0.50 0.12 -0.75 0.00 0.00 0.00 174.94 174.79 2k5n s LYS 20 N 0.37 3.55 0.76 2.79 2.36 -0.02 -0.56 119.74 128.99 2k5n s LYS 20 Ca -0.16 -0.56 -0.07 0.00 -2.55 0.00 0.00 55.97 52.63 2k5n s LYS 20 Cb -0.17 -3.47 0.16 0.00 -1.05 0.00 0.00 37.83 33.30 2k5n s LYS 20 CO 0.07 -0.29 1.04 -0.40 1.55 0.00 0.00 175.35 177.32 2k5n n ASP 21 N 4.97 0.69 -0.50 1.43 5.75 -1.08 -0.58 116.55 127.23 2k5n n ASP 21 Ca -0.15 -1.75 0.13 0.00 -0.01 0.00 0.00 54.79 53.01 2k5n n ASP 21 Cb 0.50 -0.74 0.32 0.00 -1.03 0.00 0.00 41.12 40.18 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 -3.08 1.46 -0.04 0.11 2.13 -1.10 -4.41 120.64 115.72 2k5n n GLU 22 Ca 0.15 -1.00 -0.09 0.00 0.66 0.00 0.00 57.16 56.89 2k5n n GLU 22 Cb 0.53 -1.48 -0.03 0.00 0.27 0.00 0.00 31.44 30.73 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 0.10 1.05 0.00 4.31 5.15 -1.26 -5.04 115.26 119.57 2k5n n ASN 23 Ca 0.14 0.17 0.00 0.00 -0.60 0.00 0.00 54.58 54.29 2k5n n ASN 23 Cb 0.41 -0.40 0.00 0.00 -0.53 0.00 0.00 39.78 39.27 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 2.46 0.11 0.00 8.20 0.00 -1.26 -5.16 105.19 109.55 2k5n n GLY 24 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.08 -1.26 -4.91 116.55 107.20 2k5n n ASP 25 Ca 0.00 0.00 -0.42 0.00 -1.51 0.00 0.00 54.79 52.86 2k5n n ASP 25 Cb 0.00 0.00 -0.03 0.00 2.34 0.00 0.00 41.12 43.43 2k5n n ASP 25 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 2k5n s ASN 26 N 1.94 7.20 0.12 1.67 6.03 -1.26 -2.62 114.94 128.01 2k5n s ASN 26 Ca 0.00 1.87 0.05 0.00 -1.03 0.00 0.00 52.86 53.75 2k5n s ASN 26 Cb 0.00 -2.57 -0.04 0.00 -3.03 0.00 0.00 41.25 35.61 2k5n s ASN 26 CO 0.00 -0.39 0.03 -0.13 -2.03 0.00 0.00 177.10 174.58 2k5n s ARG 27 N 1.06 2.61 -0.10 3.55 0.52 0.27 -4.80 118.95 122.06 2k5n s ARG 27 Ca 0.56 -0.88 -0.30 0.00 -0.52 0.00 0.00 55.73 54.60 2k5n s ARG 27 Cb -0.26 -2.54 -0.02 0.00 0.52 0.00 0.00 34.95 32.65 2k5n s ARG 27 CO 0.29 0.52 1.10 -0.47 0.02 0.00 0.00 175.30 176.76 2k5n s TYR 28 N -1.46 3.33 0.10 -0.53 5.04 0.40 -2.47 117.35 121.75 2k5n s TYR 28 Ca 0.27 1.40 0.10 0.00 -2.44 0.00 0.00 57.07 56.40 2k5n s TYR 28 Cb -0.11 -3.31 -0.04 0.00 0.35 0.00 0.00 41.96 38.86 2k5n s TYR 28 CO 0.20 -0.76 -0.26 -0.06 -1.34 0.00 0.00 175.55 173.32 2k5n s PHE 29 N 2.31 2.26 -0.08 4.97 0.40 -0.28 -3.76 117.98 123.81 2k5n s PHE 29 Ca 0.51 -0.39 -0.12 0.00 -0.60 0.00 0.00 56.93 56.33 2k5n s PHE 29 Cb -0.21 -1.27 0.03 0.00 0.51 0.00 0.00 43.02 42.08 2k5n s PHE 29 CO 0.18 0.25 0.31 -1.58 0.70 0.00 0.00 175.22 175.08 2k5n s HIS 30 N -0.97 -0.27 0.60 0.36 2.46 -1.26 -0.80 115.29 115.40 2k5n s HIS 30 Ca 0.13 0.61 0.29 0.00 0.47 0.00 0.00 55.06 56.55 2k5n s HIS 30 Cb -0.10 0.10 1.34 0.00 -0.13 0.00 0.00 32.58 33.80 2k5n s HIS 30 CO 0.04 -0.24 1.74 -0.24 -2.47 0.00 0.00 174.74 173.57 2k5n h VAL 31 N 4.37 0.25 -0.24 0.89 3.04 -1.70 0.18 116.25 123.04 2k5n h VAL 31 Ca -0.28 0.00 -0.07 0.00 -1.01 0.00 0.00 66.70 65.35 2k5n h VAL 31 Cb 1.18 0.45 -0.01 0.00 -2.01 0.00 0.00 31.29 30.90 2k5n h VAL 31 CO 0.34 0.00 -0.14 -0.29 -1.01 0.00 0.00 177.57 176.47 2k5n h ILE 32 N 0.00 1.22 -0.02 3.17 2.10 -1.96 -3.10 117.51 118.92 2k5n h ILE 32 Ca 0.29 -0.97 0.00 0.00 1.08 0.00 0.00 64.86 65.26 2k5n h ILE 32 Cb 1.64 1.19 0.00 0.00 -1.09 0.00 0.00 36.82 38.56 2k5n h ILE 32 CO -0.00 0.31 -0.07 0.29 -1.08 0.00 0.00 178.15 177.60 2k5n n LYS 33 N -4.22 1.34 -3.64 2.19 4.76 0.03 -4.93 118.16 113.70 2k5n n LYS 33 Ca 0.00 -1.29 -0.36 0.00 -2.87 0.00 0.00 58.31 53.79 2k5n n LYS 33 Cb 0.31 -1.29 -0.09 0.00 -1.84 0.00 0.00 35.03 32.12 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 -1.44 5.35 0.10 -0.18 1.01 -1.11 -2.07 120.40 122.06 2k5n s VAL 34 Ca 0.17 0.25 -0.15 0.00 0.00 0.00 0.00 61.98 62.25 2k5n s VAL 34 Cb 0.13 -3.52 -0.08 0.00 0.00 0.00 0.00 36.38 32.91 2k5n s VAL 34 CO 0.24 0.36 1.44 0.00 0.00 0.00 0.00 175.10 177.13 2k5n h ALA 35 N 7.29 0.43 -2.72 5.51 0.00 -1.52 -3.36 119.26 124.90 2k5n h ALA 35 Ca -0.39 -0.38 -0.63 0.00 0.00 0.00 0.00 54.91 53.51 2k5n h ALA 35 Cb 1.16 -0.10 -0.41 0.00 0.00 0.00 0.00 17.79 18.45 2k5n h ALA 35 CO 0.69 0.41 -0.48 0.09 0.00 0.00 0.00 179.25 179.96 2k5n n ASN 36 N -4.29 3.52 0.19 0.00 3.02 -1.24 -4.90 115.26 111.56 2k5n n ASN 36 Ca -0.03 -3.29 0.07 0.00 -0.03 0.00 0.00 54.58 51.29 2k5n n ASN 36 Cb 0.44 -0.78 0.25 0.00 -0.61 0.00 0.00 39.78 39.09 2k5n n ASN 36 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 2k5n h PRO 37 N 5.04 0.00 0.00 3.52 0.13 -1.90 -2.93 132.00 135.86 2k5n h PRO 37 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 2k5n h PRO 37 Cb 0.72 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.85 2k5n h PRO 37 CO 0.79 0.32 -0.13 -3.47 -0.23 0.00 0.00 178.00 175.28 2k5n n ASP 38 N -3.30 0.62 -0.95 1.44 2.03 -1.26 -3.22 116.55 111.92 2k5n n ASP 38 Ca 0.01 0.44 0.10 0.00 0.52 0.00 0.00 54.79 55.87 2k5n n ASP 38 Cb 0.57 -0.52 0.16 0.00 -0.72 0.00 0.00 41.12 40.60 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 -2.05 3.08 -4.64 -2.67 4.77 -1.11 -4.92 117.00 109.46 2k5n n LEU 39 Ca 0.05 -1.39 -0.43 0.00 -0.03 0.00 0.00 56.01 54.22 2k5n n LEU 39 Cb 0.41 -0.16 -0.02 0.00 -2.33 0.00 0.00 43.42 41.31 2k5n n LEU 39 CO 0.31 0.64 1.25 -0.63 -1.33 0.00 0.00 177.39 177.63 2k5n s ILE 40 N -1.42 3.92 0.19 -0.08 1.01 -1.19 -4.99 121.20 118.65 2k5n s ILE 40 Ca 0.31 1.06 0.11 0.00 0.00 0.00 0.00 60.65 62.13 2k5n s ILE 40 Cb 0.19 -3.89 -0.04 0.00 0.01 0.00 0.00 42.46 38.72 2k5n s ILE 40 CO 0.27 -0.33 -0.24 -0.54 0.00 0.00 0.00 174.94 174.10 2k5n s LYS 41 N 4.30 1.50 0.14 2.79 -0.14 -1.26 -5.07 119.74 122.01 2k5n s LYS 41 Ca 0.64 -1.51 -0.30 0.00 -1.36 0.00 0.00 55.97 53.43 2k5n s LYS 41 Cb -0.22 -1.82 -0.08 0.00 -1.68 0.00 0.00 37.83 34.04 2k5n s LYS 41 CO 0.25 0.39 1.28 0.21 -0.76 0.00 0.00 175.35 176.73 2k5n s LYS 42 N -2.65 4.40 -1.20 1.68 2.36 -1.26 -2.51 119.74 120.57 2k5n s LYS 42 Ca 0.20 1.96 0.00 0.00 -2.55 0.00 0.00 55.97 55.58 2k5n s LYS 42 Cb -0.08 -3.25 0.00 0.00 -1.05 0.00 0.00 37.83 33.45 2k5n s LYS 42 CO 0.09 -0.27 0.00 -0.25 1.55 0.00 0.00 175.35 176.48 2k5n n ASP 43 N 3.27 -4.23 -4.94 1.43 9.92 0.12 -4.99 116.55 117.13 2k5n n ASP 43 Ca 0.08 0.17 -0.25 0.00 -0.53 0.00 0.00 54.79 54.26 2k5n n ASP 43 Cb 0.44 -3.08 -0.02 0.00 -0.64 0.00 0.00 41.12 37.82 2k5n n ASP 43 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2k5n s ALA 44 N -2.52 3.76 -0.03 2.24 0.00 -1.04 -4.83 121.76 119.33 2k5n s ALA 44 Ca 0.00 -0.90 -0.13 0.00 0.00 0.00 0.00 51.96 50.93 2k5n s ALA 44 Cb 0.00 -2.04 -0.05 0.00 0.00 0.00 0.00 23.12 21.03 2k5n s ALA 44 CO 0.00 0.17 0.35 0.00 0.00 0.00 0.00 175.76 176.27 2k5n s ALA 45 N -2.12 3.74 0.17 0.00 0.00 -1.26 -1.52 121.76 120.76 2k5n s ALA 45 Ca 0.39 -0.32 0.00 0.00 0.00 0.00 0.00 51.96 52.03 2k5n s ALA 45 Cb -0.10 -2.29 -0.04 0.00 0.00 0.00 0.00 23.12 20.68 2k5n s ALA 45 CO 0.32 0.50 0.06 0.14 0.00 0.00 0.00 175.76 176.78 2k5n s VAL 46 N -1.02 0.33 -0.03 0.00 -7.23 -0.41 -1.95 120.40 110.09 2k5n s VAL 46 Ca 0.22 -1.96 0.03 0.00 -1.81 0.00 0.00 61.98 58.45 2k5n s VAL 46 Cb -0.16 -2.23 0.00 0.00 0.56 0.00 0.00 36.38 34.56 2k5n s VAL 46 CO 0.11 -0.32 -0.10 0.42 -0.31 0.00 0.00 175.10 174.90 2k5n s THR 47 N -3.90 0.86 0.20 5.32 -4.23 0.59 -1.32 115.64 113.16 2k5n s THR 47 Ca 0.28 -0.39 -0.18 0.00 -1.18 0.00 0.00 61.69 60.22 2k5n s THR 47 Cb 0.07 -0.77 0.03 0.00 1.34 0.00 0.00 72.50 73.18 2k5n s THR 47 CO 0.06 0.27 0.54 0.72 -0.54 0.00 0.00 174.62 175.67 2k5n s PHE 48 N 0.25 -0.15 0.00 3.99 -0.12 -0.51 0.01 117.98 121.46 2k5n s PHE 48 Ca -0.05 -0.19 0.04 0.00 -0.05 0.00 0.00 56.93 56.68 2k5n s PHE 48 Cb -0.10 0.43 -0.03 0.00 -0.63 0.00 0.00 43.02 42.69 2k5n s PHE 48 CO 0.01 -0.94 -0.08 -1.21 -0.05 0.00 0.00 175.22 172.95 2k5n s GLU 49 N -3.87 2.50 0.42 1.99 2.02 -1.13 0.10 118.70 120.74 2k5n s GLU 49 Ca 0.09 -0.75 -0.23 0.00 0.02 0.00 0.00 54.97 54.10 2k5n s GLU 49 Cb -0.01 -2.46 -0.09 0.00 0.10 0.00 0.00 34.13 31.67 2k5n s GLU 49 CO -0.03 0.60 1.04 -1.25 0.02 0.00 0.00 175.26 175.64 2k5n s PRO 50 N -1.38 4.07 -0.19 0.39 0.04 -1.26 -1.49 135.00 135.18 2k5n s PRO 50 Ca 0.16 1.45 -0.18 0.00 0.04 0.00 0.00 61.00 62.48 2k5n s PRO 50 Cb -0.11 -2.41 0.05 0.00 0.04 0.00 0.00 34.50 32.07 2k5n s PRO 50 CO 0.07 -0.21 0.51 -0.08 0.04 0.00 0.00 177.00 177.33 2k5n s THR 51 N -1.76 -0.00 -0.14 1.26 -1.32 0.03 -4.82 115.64 108.88 2k5n s THR 51 Ca 0.60 0.00 -0.21 0.00 -1.21 0.00 0.00 61.69 60.88 2k5n s THR 51 Cb -0.20 -0.71 -0.03 0.00 -1.51 0.00 0.00 72.50 70.04 2k5n s THR 51 CO 0.25 0.00 0.61 0.42 -2.21 0.00 0.00 174.62 173.69 2k5n s THR 52 N 0.29 5.07 0.63 5.08 -4.23 -1.26 -1.50 115.64 119.72 2k5n s THR 52 Ca -0.00 1.20 -0.05 0.00 -1.18 0.00 0.00 61.69 61.65 2k5n s THR 52 Cb -0.04 -3.94 0.03 0.00 1.34 0.00 0.00 72.50 69.90 2k5n s THR 52 CO 0.00 0.20 0.93 0.21 -0.54 0.00 0.00 174.62 175.42 2k5n s ASN 53 N 0.95 5.22 0.42 3.99 3.84 0.67 -4.93 114.94 125.10 2k5n s ASN 53 Ca 0.30 0.50 0.15 0.00 0.21 0.00 0.00 52.86 54.03 2k5n s ASN 53 Cb -0.16 -1.34 1.02 0.00 -0.55 0.00 0.00 41.25 40.22 2k5n s ASN 53 CO 0.12 -1.30 1.92 -1.13 -2.79 0.00 0.00 177.10 173.92 2k5n h ASN 54 N -0.32 0.42 0.00 -4.21 -0.73 -2.00 -3.30 115.58 105.45 2k5n h ASN 54 Ca -0.45 0.02 -0.12 0.00 1.87 0.00 0.00 56.30 57.63 2k5n h ASN 54 Cb 1.29 -0.06 -0.02 0.00 0.27 0.00 0.00 38.32 39.80 2k5n h ASN 54 CO 0.59 0.22 -1.39 1.17 -0.37 0.00 0.00 177.43 177.65 2k5n n LYS 55 N -4.49 0.54 0.00 6.67 4.81 -1.26 -5.12 118.16 119.32 2k5n n LYS 55 Ca 0.14 0.22 0.00 0.00 -0.87 0.00 0.00 58.31 57.81 2k5n n LYS 55 Cb 0.51 -1.45 0.00 0.00 0.02 0.00 0.00 35.03 34.12 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 1.41 5.01 3.79 3.14 0.00 -1.24 -5.14 105.19 112.15 2k5n n GLY 56 Ca -0.24 -0.94 -0.39 0.00 0.00 0.00 0.00 46.02 44.45 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 4.54 0.22 0.99 1.43 -1.26 -0.24 118.68 124.36 2k5n s LEU 57 Ca 0.00 1.58 -0.10 0.00 -1.03 0.00 0.00 54.13 54.58 2k5n s LEU 57 Cb 0.00 -3.33 -0.01 0.00 0.03 0.00 0.00 46.19 42.88 2k5n s LEU 57 CO 0.00 0.18 0.39 -0.94 0.23 0.00 0.00 176.35 176.20 2k5n s SER 58 N -1.24 -0.03 0.04 2.29 1.04 -0.56 -0.45 113.70 114.78 2k5n s SER 58 Ca 0.37 -0.98 0.01 0.00 0.48 0.00 0.00 55.95 55.82 2k5n s SER 58 Cb -0.22 0.52 -0.03 0.00 0.10 0.00 0.00 66.02 66.40 2k5n s SER 58 CO 0.25 -1.04 -0.05 0.00 0.98 0.00 0.00 173.24 173.38 2k5n s ALA 59 N -4.03 0.36 0.40 5.32 0.00 -1.25 -0.79 121.76 121.77 2k5n s ALA 59 Ca 0.24 -0.78 0.04 0.00 0.00 0.00 0.00 51.96 51.46 2k5n s ALA 59 Cb 0.01 0.14 -0.05 0.00 0.00 0.00 0.00 23.12 23.22 2k5n s ALA 59 CO 0.08 -0.16 0.05 1.52 0.00 0.00 0.00 175.76 177.24 2k5n s TYR 60 N -1.95 2.07 -1.39 0.00 1.13 -0.55 -4.81 117.35 111.84 2k5n s TYR 60 Ca -0.09 -0.93 -0.06 0.00 -1.41 0.00 0.00 57.07 54.58 2k5n s TYR 60 Cb -0.06 -1.46 0.00 0.00 -1.10 0.00 0.00 41.96 39.34 2k5n s TYR 60 CO -0.02 0.12 0.39 0.00 -2.51 0.00 0.00 175.55 173.53 2k5n n ALA 61 N -0.91 -2.13 -2.45 9.51 0.00 -0.88 -2.83 120.51 120.82 2k5n n ALA 61 Ca -0.07 -0.33 -0.43 0.00 0.00 0.00 0.00 53.44 52.61 2k5n n ALA 61 Cb 0.66 -1.74 -0.02 0.00 0.00 0.00 0.00 19.45 18.35 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 -3.96 4.08 -0.29 0.00 1.01 -0.93 -4.59 120.40 115.72 2k5n s VAL 62 Ca 0.10 1.14 -0.14 0.00 0.00 0.00 0.00 61.98 63.09 2k5n s VAL 62 Cb -0.05 -4.31 -0.04 0.00 0.00 0.00 0.00 36.38 31.99 2k5n s VAL 62 CO 0.92 -0.74 0.32 -0.54 0.00 0.00 0.00 175.10 175.06 2k5n s LYS 63 N 4.54 3.91 0.49 2.72 3.01 0.10 -1.34 119.74 133.17 2k5n s LYS 63 Ca 0.56 -0.15 -0.21 0.00 -1.01 0.00 0.00 55.97 55.15 2k5n s LYS 63 Cb -0.13 -3.69 -0.07 0.00 -1.01 0.00 0.00 37.83 32.94 2k5n s LYS 63 CO 0.29 -0.30 1.13 0.08 0.51 0.00 0.00 175.35 177.06 2k5n s VAL 64 N 1.97 3.24 -0.79 3.17 1.01 -1.26 -0.30 120.40 127.45 2k5n s VAL 64 Ca 0.12 0.85 -0.10 0.00 0.00 0.00 0.00 61.98 62.85 2k5n s VAL 64 Cb -0.16 -3.39 0.21 0.00 0.00 0.00 0.00 36.38 33.04 2k5n s VAL 64 CO 0.11 -0.09 0.69 -0.69 0.00 0.00 0.00 175.10 175.12 2k5n s VAL 65 N -1.69 5.08 0.21 2.92 1.01 -0.82 -4.87 120.40 122.24 2k5n s VAL 65 Ca 0.67 -2.68 -0.30 0.00 0.00 0.00 0.00 61.98 59.67 2k5n s VAL 65 Cb -0.25 -4.17 -0.09 0.00 0.00 0.00 0.00 36.38 31.87 2k5n s VAL 65 CO 0.29 -1.00 1.31 -2.16 0.00 0.00 0.00 175.10 173.55 2k5n s PRO 66 N -0.00 4.39 0.36 2.72 0.04 -1.26 -4.78 135.00 136.47 2k5n s PRO 66 Ca 0.18 2.07 0.20 0.00 0.04 0.00 0.00 61.00 63.50 2k5n s PRO 66 Cb -0.13 -3.18 0.22 0.00 0.04 0.00 0.00 34.50 31.45 2k5n s PRO 66 CO -0.07 -0.24 1.50 -0.07 0.04 0.00 0.00 177.00 178.15 2k5n h LEU 67 N 5.15 0.00 -7.80 -3.56 3.38 -1.99 -3.44 115.31 107.04 2k5n h LEU 67 Ca -0.45 0.00 -0.38 0.00 0.09 0.00 0.00 57.88 57.14 2k5n h LEU 67 Cb 1.22 0.00 -0.32 0.00 0.09 0.00 0.00 40.66 41.65 2k5n h LEU 67 CO 0.76 0.17 -0.76 -0.70 0.09 0.00 0.00 178.44 178.00 2k5n s GLU 68 N -3.13 0.64 -0.20 1.13 2.12 -1.26 -5.13 118.70 112.88 2k5n s GLU 68 Ca 0.05 -0.13 -0.19 0.00 0.36 0.00 0.00 54.97 55.06 2k5n s GLU 68 Cb 0.06 -0.66 -0.03 0.00 0.26 0.00 0.00 34.13 33.76 2k5n s GLU 68 CO 0.71 -0.00 0.55 -1.01 -0.54 0.00 0.00 175.26 174.96 2k5n s HIS 69 N 0.51 3.38 0.00 5.30 3.76 -1.26 -4.90 115.29 122.07 2k5n s HIS 69 Ca -0.06 0.82 0.00 0.00 -0.15 0.00 0.00 55.06 55.67 2k5n s HIS 69 Cb -0.10 -2.71 0.00 0.00 1.11 0.00 0.00 32.58 30.89 2k5n s HIS 69 CO -0.00 -0.12 0.00 1.58 -0.85 0.00 0.00 174.74 175.35 2k5n n HIS 70 N 4.83 0.00 -4.65 1.40 -0.00 -1.26 -5.14 115.22 110.40 2k5n n HIS 70 Ca -0.04 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.14 2k5n n HIS 70 Cb 0.50 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.37 2k5n n HIS 70 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 2k5n n HIS 71 N -1.18 -1.41 0.00 1.57 8.25 -1.26 -4.86 115.22 116.33 2k5n n HIS 71 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2k5n n HIS 71 Cb 0.15 0.18 0.00 0.00 1.12 0.00 0.00 29.99 31.44 2k5n n HIS 71 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 2k5n n HIS 72 N -0.98 0.00 0.01 4.41 1.44 -1.26 -5.03 115.22 113.81 2k5n n HIS 72 Ca 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 2k5n n HIS 72 Cb 0.00 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.11 2k5n n HIS 72 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11 2k5n n HIS 73 N -1.28 -0.08 -1.54 -1.40 -0.00 -1.26 -5.37 115.22 104.29 2k5n n HIS 73 Ca 0.00 0.01 0.00 0.00 0.46 0.00 0.00 57.72 58.19 2k5n n HIS 73 Cb 0.13 0.33 0.00 0.00 -0.12 0.00 0.00 29.99 30.33 2k5n n HIS 73 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38