#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 1.44 -2.54 -5.12 0.00 -1.26 -4.54 120.51 108.49 2k5n n ALA 2 Ca 0.00 0.40 -0.25 0.00 0.00 0.00 0.00 53.44 53.59 2k5n n ALA 2 Cb 0.00 -2.41 -0.10 0.00 0.00 0.00 0.00 19.45 16.94 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 1.67 1.90 0.16 0.00 1.00 0.49 -4.95 119.30 119.57 2k5n s MET 3 Ca 0.81 -1.84 0.09 0.00 0.00 0.00 0.00 55.69 54.75 2k5n s MET 3 Cb -0.65 -1.80 -0.04 0.00 0.00 0.00 0.00 34.83 32.34 2k5n s MET 3 CO 0.40 0.17 -0.13 0.54 0.00 0.00 0.00 175.02 176.00 2k5n s ASN 4 N -3.63 4.13 0.32 3.03 4.22 -1.26 -0.46 114.94 121.29 2k5n s ASN 4 Ca 0.33 -0.57 -0.06 0.00 -2.14 0.00 0.00 52.86 50.42 2k5n s ASN 4 Cb 0.01 -0.66 0.03 0.00 1.28 0.00 0.00 41.25 41.90 2k5n s ASN 4 CO 0.17 0.13 0.53 0.61 -2.04 0.00 0.00 177.10 176.51 2k5n n GLY 5 N 0.32 1.78 3.16 0.45 0.00 0.67 -1.56 105.19 110.01 2k5n n GLY 5 Ca -0.12 -1.44 -0.26 0.00 0.00 0.00 0.00 46.02 44.19 2k5n n GLY 5 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2k5n s THR 6 N -2.55 1.49 -0.30 2.61 2.01 0.11 -0.38 115.64 118.63 2k5n s THR 6 Ca 0.21 -0.76 -0.29 0.00 0.31 0.00 0.00 61.69 61.15 2k5n s THR 6 Cb -0.02 -1.26 0.01 0.00 0.01 0.00 0.00 72.50 71.23 2k5n s THR 6 CO 0.15 0.42 1.23 -0.63 -0.69 0.00 0.00 174.62 175.10 2k5n s ILE 7 N -0.12 4.26 -0.20 1.82 1.01 0.05 -0.98 121.20 127.03 2k5n s ILE 7 Ca -0.00 1.43 0.01 0.00 0.00 0.00 0.00 60.65 62.09 2k5n s ILE 7 Cb -0.10 -4.23 -0.13 0.00 0.01 0.00 0.00 42.46 38.00 2k5n s ILE 7 CO 0.01 -0.47 -0.18 0.35 0.00 0.00 0.00 174.94 174.65 2k5n n THR 8 N 6.07 1.17 -3.71 2.92 -2.24 -1.10 0.01 114.28 117.41 2k5n n THR 8 Ca 0.14 -0.44 -0.25 0.00 -2.27 0.00 0.00 64.05 61.23 2k5n n THR 8 Cb 0.47 -1.24 -0.17 0.00 -2.10 0.00 0.00 70.33 67.28 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 -2.41 0.24 -0.03 4.28 2.01 -0.97 -4.82 115.64 113.95 2k5n s THR 9 Ca -0.28 -0.10 0.03 0.00 0.31 0.00 0.00 61.69 61.66 2k5n s THR 9 Cb 0.07 -0.63 -0.00 0.00 0.01 0.00 0.00 72.50 71.95 2k5n s THR 9 CO 0.47 -0.01 -0.11 0.86 -0.69 0.00 0.00 174.62 175.13 2k5n s TRP 10 N 2.01 1.14 -0.37 4.92 -0.11 -1.26 0.80 118.94 126.06 2k5n s TRP 10 Ca 0.03 -0.28 0.02 0.00 1.22 0.00 0.00 56.10 57.08 2k5n s TRP 10 Cb -0.14 -0.78 0.11 0.00 -1.50 0.00 0.00 33.47 31.15 2k5n s TRP 10 CO -0.07 -0.10 0.12 -0.06 -4.62 0.00 0.00 176.95 172.23 2k5n s PHE 11 N 0.07 2.75 0.30 5.86 0.08 -0.29 -4.96 117.98 121.79 2k5n s PHE 11 Ca -0.02 -2.53 0.06 0.00 0.12 0.00 0.00 56.93 54.56 2k5n s PHE 11 Cb -0.08 -2.36 0.49 0.00 -0.57 0.00 0.00 43.02 40.49 2k5n s PHE 11 CO 0.01 -0.87 1.74 -0.22 -0.10 0.00 0.00 175.22 175.77 2k5n h LYS 12 N 7.48 0.32 -0.42 0.44 3.11 -1.95 0.30 116.57 125.84 2k5n h LYS 12 Ca -0.07 -0.13 -0.06 0.00 -2.81 0.00 0.00 60.65 57.58 2k5n h LYS 12 Cb 0.99 -0.01 -0.02 0.00 -1.00 0.00 0.00 32.23 32.18 2k5n h LYS 12 CO 0.52 0.61 0.02 0.22 -2.81 0.00 0.00 179.45 178.01 2k5n h ASP 13 N 0.28 0.62 0.55 4.20 3.58 -1.93 -3.08 116.42 120.64 2k5n h ASP 13 Ca 0.04 -0.13 -0.28 0.00 0.42 0.00 0.00 57.03 57.08 2k5n h ASP 13 Cb 0.70 -0.16 -0.05 0.00 1.72 0.00 0.00 39.33 41.54 2k5n h ASP 13 CO 0.05 0.68 -1.62 0.11 -2.88 0.00 0.00 179.24 175.58 2k5n h LYS 14 N 0.63 0.00 0.00 0.28 1.79 -1.87 -3.48 116.57 113.93 2k5n h LYS 14 Ca 0.13 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.60 2k5n h LYS 14 Cb 0.36 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.01 2k5n h LYS 14 CO 0.01 0.56 0.00 0.41 -1.08 0.00 0.00 179.45 179.35 2k5n n GLY 15 N 1.53 0.87 3.37 3.86 0.00 0.10 -5.04 105.19 109.89 2k5n n GLY 15 Ca -0.15 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.02 1.14 0.03 1.61 -0.12 -1.06 -0.14 117.98 117.42 2k5n s PHE 16 Ca 0.00 -1.31 -0.06 0.00 -0.05 0.00 0.00 56.93 55.51 2k5n s PHE 16 Cb 0.00 -0.33 0.02 0.00 -0.63 0.00 0.00 43.02 42.08 2k5n s PHE 16 CO 0.00 -0.90 0.30 0.41 -0.05 0.00 0.00 175.22 174.98 2k5n n GLY 17 N -0.46 0.90 2.86 1.99 0.00 -0.38 -1.14 105.19 108.96 2k5n n GLY 17 Ca 0.02 -0.95 -0.21 0.00 0.00 0.00 0.00 46.02 44.89 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 -4.16 0.72 -0.07 1.61 0.08 0.24 -0.57 117.98 115.81 2k5n s PHE 18 Ca 0.07 -0.20 0.04 0.00 0.12 0.00 0.00 56.93 56.96 2k5n s PHE 18 Cb -0.01 -0.70 0.00 0.00 -0.57 0.00 0.00 43.02 41.75 2k5n s PHE 18 CO 0.01 -0.23 -0.19 0.42 -0.10 0.00 0.00 175.22 175.12 2k5n s ILE 19 N 1.22 1.67 -0.26 0.64 1.01 -1.17 -2.28 121.20 122.04 2k5n s ILE 19 Ca -0.06 -0.81 -0.20 0.00 0.00 0.00 0.00 60.65 59.58 2k5n s ILE 19 Cb -0.14 -1.46 -0.02 0.00 0.01 0.00 0.00 42.46 40.85 2k5n s ILE 19 CO -0.02 0.47 0.59 -0.54 0.00 0.00 0.00 174.94 175.45 2k5n s LYS 20 N 0.31 4.08 1.02 2.79 -0.14 -0.15 -2.99 119.74 124.66 2k5n s LYS 20 Ca -0.13 0.46 -0.17 0.00 -1.36 0.00 0.00 55.97 54.78 2k5n s LYS 20 Cb -0.16 -3.66 0.22 0.00 -1.68 0.00 0.00 37.83 32.56 2k5n s LYS 20 CO 0.06 -0.40 1.25 0.16 -0.76 0.00 0.00 175.35 175.66 2k5n s ASP 21 N 1.50 2.56 0.00 2.83 1.47 -1.11 0.09 116.67 124.01 2k5n s ASP 21 Ca 0.24 0.41 0.30 0.00 1.18 0.00 0.00 52.55 54.68 2k5n s ASP 21 Cb -0.15 -0.54 1.42 0.00 -0.34 0.00 0.00 42.92 43.30 2k5n s ASP 21 CO 0.09 -3.09 1.99 1.21 0.68 0.00 0.00 175.17 176.05 2k5n n GLU 22 N -4.03 0.43 0.02 2.11 2.13 -0.60 -3.17 120.64 117.53 2k5n n GLU 22 Ca 0.14 -0.05 -0.15 0.00 0.66 0.00 0.00 57.16 57.76 2k5n n GLU 22 Cb 0.59 -1.50 -0.14 0.00 0.27 0.00 0.00 31.44 30.67 2k5n n GLU 22 CO 0.00 0.00 0.00 -0.97 -0.41 0.00 0.00 177.13 175.75 2k5n h ASN 23 N 0.11 0.27 0.00 4.31 -0.73 -1.92 -3.48 115.58 114.14 2k5n h ASN 23 Ca 0.00 -0.48 0.00 0.00 1.87 0.00 0.00 56.30 57.69 2k5n h ASN 23 Cb 0.32 -0.09 0.00 0.00 0.27 0.00 0.00 38.32 38.82 2k5n h ASN 23 CO 0.00 1.41 0.00 0.61 -0.37 0.00 0.00 177.43 179.08 2k5n n GLY 24 N 1.71 1.82 3.80 1.57 0.00 -1.19 -5.14 105.19 107.76 2k5n n GLY 24 Ca -0.20 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.82 5.11 -0.23 1.61 2.15 -1.26 -4.96 116.67 117.26 2k5n s ASP 25 Ca 0.00 -0.55 -0.00 0.00 0.43 0.00 0.00 52.55 52.43 2k5n s ASP 25 Cb 0.00 -0.96 0.03 0.00 -0.30 0.00 0.00 42.92 41.69 2k5n s ASP 25 CO 0.00 -0.28 -0.10 0.21 -0.17 0.00 0.00 175.17 174.84 2k5n s ASN 26 N -3.91 4.07 0.08 -0.34 2.47 -1.26 -2.76 114.94 113.29 2k5n s ASN 26 Ca 0.38 -0.89 0.05 0.00 0.42 0.00 0.00 52.86 52.83 2k5n s ASN 26 Cb -0.05 -1.61 -0.04 0.00 -1.45 0.00 0.00 41.25 38.10 2k5n s ASN 26 CO 0.25 -0.11 -0.06 -0.13 -3.72 0.00 0.00 177.10 173.33 2k5n s ARG 27 N 1.29 2.36 -0.19 0.43 0.52 -1.16 -4.84 118.95 117.36 2k5n s ARG 27 Ca -0.00 -0.90 -0.28 0.00 -0.52 0.00 0.00 55.73 54.04 2k5n s ARG 27 Cb -0.16 -2.43 -0.00 0.00 0.52 0.00 0.00 34.95 32.88 2k5n s ARG 27 CO -0.06 0.54 0.96 -0.47 0.02 0.00 0.00 175.30 176.29 2k5n s TYR 28 N -1.20 3.40 0.18 -0.53 5.04 -1.02 -3.01 117.35 120.20 2k5n s TYR 28 Ca 0.22 1.42 0.08 0.00 -2.44 0.00 0.00 57.07 56.34 2k5n s TYR 28 Cb -0.11 -3.17 -0.04 0.00 0.35 0.00 0.00 41.96 38.99 2k5n s TYR 28 CO 0.14 -0.36 -0.02 -0.06 -1.34 0.00 0.00 175.55 173.91 2k5n s PHE 29 N 2.64 2.79 -0.03 4.97 0.40 0.26 -3.77 117.98 125.24 2k5n s PHE 29 Ca 0.43 -0.16 -0.01 0.00 -0.60 0.00 0.00 56.93 56.59 2k5n s PHE 29 Cb -0.16 -1.35 0.02 0.00 0.51 0.00 0.00 43.02 42.04 2k5n s PHE 29 CO 0.10 0.52 0.07 -1.58 0.70 0.00 0.00 175.22 175.03 2k5n s HIS 30 N -1.75 -0.05 0.54 0.36 2.46 -1.26 -1.24 115.29 114.35 2k5n s HIS 30 Ca 0.27 0.22 0.33 0.00 0.47 0.00 0.00 55.06 56.35 2k5n s HIS 30 Cb -0.09 -0.12 1.50 0.00 -0.13 0.00 0.00 32.58 33.74 2k5n s HIS 30 CO 0.18 -0.09 1.86 -0.24 -2.47 0.00 0.00 174.74 173.98 2k5n h VAL 31 N 5.86 0.49 0.00 0.89 3.04 -0.90 0.29 116.25 125.93 2k5n h VAL 31 Ca -0.39 0.00 -0.07 0.00 -1.01 0.00 0.00 66.70 65.24 2k5n h VAL 31 Cb 1.15 0.51 -0.01 0.00 -2.01 0.00 0.00 31.29 30.93 2k5n h VAL 31 CO 0.47 0.00 -0.33 -0.29 -1.01 0.00 0.00 177.57 176.41 2k5n h ILE 32 N 0.00 1.17 -0.00 3.17 2.10 -1.97 -2.17 117.51 119.81 2k5n h ILE 32 Ca 0.45 -1.15 0.00 0.00 1.08 0.00 0.00 64.86 65.24 2k5n h ILE 32 Cb 1.86 1.63 0.00 0.00 -1.09 0.00 0.00 36.82 39.22 2k5n h ILE 32 CO -0.00 0.32 -0.05 0.29 -1.08 0.00 0.00 178.15 177.63 2k5n n LYS 33 N -4.05 0.66 -3.56 2.19 4.76 0.09 -4.79 118.16 113.46 2k5n n LYS 33 Ca -0.02 -0.13 -0.37 0.00 -2.87 0.00 0.00 58.31 54.93 2k5n n LYS 33 Cb 0.38 -1.50 -0.07 0.00 -1.84 0.00 0.00 35.03 32.01 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 -2.43 5.27 -0.02 -0.18 1.01 -0.82 -0.36 120.40 122.87 2k5n s VAL 34 Ca 0.32 0.59 -0.19 0.00 0.00 0.00 0.00 61.98 62.69 2k5n s VAL 34 Cb 0.20 -3.63 -0.33 0.00 0.00 0.00 0.00 36.38 32.63 2k5n s VAL 34 CO 0.45 0.45 0.92 0.00 0.00 0.00 0.00 175.10 176.92 2k5n h ALA 35 N 6.07 -0.11 -2.43 5.51 0.00 -1.15 -3.40 119.26 123.75 2k5n h ALA 35 Ca -0.45 -0.78 -0.60 0.00 0.00 0.00 0.00 54.91 53.09 2k5n h ALA 35 Cb 1.18 0.15 -0.41 0.00 0.00 0.00 0.00 17.79 18.71 2k5n h ALA 35 CO 0.71 0.52 -0.71 0.27 0.00 0.00 0.00 179.25 180.03 2k5n n ASN 36 N -3.96 2.52 0.16 0.00 0.23 -1.26 -4.91 115.26 108.05 2k5n n ASN 36 Ca -0.16 -3.14 0.13 0.00 -0.53 0.00 0.00 54.58 50.88 2k5n n ASN 36 Cb 0.94 -0.68 0.53 0.00 -2.08 0.00 0.00 39.78 38.48 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 4.63 0.00 0.00 -0.53 0.13 -1.91 -2.72 132.00 131.61 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 0.75 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.88 2k5n h PRO 37 CO 0.69 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.21 2k5n n ASP 38 N -2.43 0.09 -0.76 1.44 9.92 -1.26 -2.03 116.55 121.52 2k5n n ASP 38 Ca 0.02 0.52 0.07 0.00 -0.53 0.00 0.00 54.79 54.87 2k5n n ASP 38 Cb 0.26 -0.54 0.17 0.00 -0.64 0.00 0.00 41.12 40.37 2k5n n ASP 38 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 2k5n n LEU 39 N -1.60 2.98 -4.63 0.64 4.77 -1.02 -4.92 117.00 113.21 2k5n n LEU 39 Ca 0.04 -1.80 -0.43 0.00 -0.03 0.00 0.00 56.01 53.79 2k5n n LEU 39 Cb 0.19 -0.23 -0.02 0.00 -2.33 0.00 0.00 43.42 41.03 2k5n n LEU 39 CO 0.16 0.71 1.03 -0.63 -1.33 0.00 0.00 177.39 177.33 2k5n s ILE 40 N -1.04 4.33 0.34 -0.08 1.01 -0.86 -4.94 121.20 119.97 2k5n s ILE 40 Ca 0.27 1.50 0.06 0.00 0.00 0.00 0.00 60.65 62.48 2k5n s ILE 40 Cb 0.15 -4.37 -0.07 0.00 0.01 0.00 0.00 42.46 38.18 2k5n s ILE 40 CO 0.20 -0.58 -0.01 -0.54 0.00 0.00 0.00 174.94 174.01 2k5n s LYS 41 N 3.97 1.72 0.07 2.79 1.02 -1.26 -5.10 119.74 122.96 2k5n s LYS 41 Ca 0.49 -1.93 -0.26 0.00 0.02 0.00 0.00 55.97 54.30 2k5n s LYS 41 Cb -0.13 -1.26 -0.06 0.00 -0.52 0.00 0.00 37.83 35.87 2k5n s LYS 41 CO 0.21 -0.04 0.79 0.21 -0.92 0.00 0.00 175.35 175.60 2k5n s LYS 42 N -3.76 4.53 -0.60 1.68 2.36 -1.26 -3.19 119.74 119.51 2k5n s LYS 42 Ca 0.33 1.13 0.00 0.00 -2.55 0.00 0.00 55.97 54.89 2k5n s LYS 42 Cb 0.07 -3.35 0.00 0.00 -1.05 0.00 0.00 37.83 33.50 2k5n s LYS 42 CO 0.15 0.31 0.00 -3.47 1.55 0.00 0.00 175.35 173.89 2k5n n ASP 43 N 2.65 -3.49 -4.90 1.43 2.03 0.10 -5.01 116.55 109.36 2k5n n ASP 43 Ca -0.02 0.12 -0.33 0.00 0.52 0.00 0.00 54.79 55.08 2k5n n ASP 43 Cb 0.50 -1.71 -0.05 0.00 -0.72 0.00 0.00 41.12 39.14 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 -2.23 3.92 0.11 -1.67 0.00 -1.19 -4.85 121.76 115.84 2k5n s ALA 44 Ca 0.00 -0.70 -0.20 0.00 0.00 0.00 0.00 51.96 51.06 2k5n s ALA 44 Cb 0.00 -1.95 -0.07 0.00 0.00 0.00 0.00 23.12 21.09 2k5n s ALA 44 CO 0.00 0.72 0.62 0.00 0.00 0.00 0.00 175.76 177.10 2k5n s ALA 45 N -1.38 3.55 0.07 0.00 0.00 -1.26 -0.77 121.76 121.97 2k5n s ALA 45 Ca 0.30 0.10 0.01 0.00 0.00 0.00 0.00 51.96 52.37 2k5n s ALA 45 Cb -0.13 -2.70 -0.03 0.00 0.00 0.00 0.00 23.12 20.26 2k5n s ALA 45 CO 0.20 0.38 -0.06 0.14 0.00 0.00 0.00 175.76 176.41 2k5n s VAL 46 N -1.17 0.56 -0.05 0.00 -7.23 0.49 -0.68 120.40 112.32 2k5n s VAL 46 Ca 0.32 -1.57 0.06 0.00 -1.81 0.00 0.00 61.98 58.97 2k5n s VAL 46 Cb -0.20 -1.22 -0.01 0.00 0.56 0.00 0.00 36.38 35.52 2k5n s VAL 46 CO 0.21 -0.70 -0.23 0.42 -0.31 0.00 0.00 175.10 174.49 2k5n s THR 47 N -2.76 1.88 0.37 5.32 -4.23 0.11 -0.24 115.64 116.09 2k5n s THR 47 Ca 0.02 -0.97 -0.05 0.00 -1.18 0.00 0.00 61.69 59.51 2k5n s THR 47 Cb -0.01 -1.59 0.02 0.00 1.34 0.00 0.00 72.50 72.26 2k5n s THR 47 CO -0.03 0.53 0.59 0.72 -0.54 0.00 0.00 174.62 175.88 2k5n s PHE 48 N -0.09 0.85 0.02 3.99 -0.12 0.40 0.01 117.98 123.04 2k5n s PHE 48 Ca -0.04 -1.21 0.06 0.00 -0.05 0.00 0.00 56.93 55.69 2k5n s PHE 48 Cb -0.13 0.19 -0.02 0.00 -0.63 0.00 0.00 43.02 42.43 2k5n s PHE 48 CO 0.03 -1.31 -0.19 -1.83 -0.05 0.00 0.00 175.22 171.87 2k5n s GLU 49 N -2.64 1.38 0.39 1.99 -1.05 -0.81 -0.38 118.70 117.59 2k5n s GLU 49 Ca 0.27 -0.80 -0.24 0.00 -0.15 0.00 0.00 54.97 54.04 2k5n s GLU 49 Cb -0.02 -1.41 -0.09 0.00 -0.44 0.00 0.00 34.13 32.17 2k5n s GLU 49 CO 0.19 0.37 1.07 -2.14 0.95 0.00 0.00 175.26 175.70 2k5n s PRO 50 N -0.85 4.16 0.05 -4.83 0.02 -1.26 -0.91 135.00 131.38 2k5n s PRO 50 Ca 0.07 1.58 -0.00 0.00 0.02 0.00 0.00 61.00 62.66 2k5n s PRO 50 Cb -0.08 -2.59 -0.03 0.00 0.02 0.00 0.00 34.50 31.81 2k5n s PRO 50 CO 0.01 -0.16 -0.04 -0.08 -0.33 0.00 0.00 177.00 176.40 2k5n s THR 51 N -1.59 0.28 -0.15 0.99 -1.32 0.54 -4.82 115.64 109.57 2k5n s THR 51 Ca 0.57 -1.56 -0.01 0.00 -1.21 0.00 0.00 61.69 59.48 2k5n s THR 51 Cb -0.24 -1.18 -0.01 0.00 -1.51 0.00 0.00 72.50 69.56 2k5n s THR 51 CO 0.30 -0.82 -0.11 0.42 -2.21 0.00 0.00 174.62 172.20 2k5n s THR 52 N -3.12 3.12 0.28 5.08 -4.23 -1.26 -1.14 115.64 114.36 2k5n s THR 52 Ca 0.01 -0.62 0.08 0.00 -1.18 0.00 0.00 61.69 59.98 2k5n s THR 52 Cb 0.02 -2.34 -0.04 0.00 1.34 0.00 0.00 72.50 71.49 2k5n s THR 52 CO -0.06 0.50 0.15 0.20 -0.54 0.00 0.00 174.62 174.87 2k5n s ASN 53 N 0.65 5.14 0.18 3.99 0.02 -0.66 -4.96 114.94 119.31 2k5n s ASN 53 Ca -0.06 -0.44 0.22 0.00 -1.02 0.00 0.00 52.86 51.56 2k5n s ASN 53 Cb -0.15 -1.13 0.89 0.00 0.02 0.00 0.00 41.25 40.88 2k5n s ASN 53 CO 0.03 -0.10 1.67 0.59 0.02 0.00 0.00 177.10 179.31 2k5n n ASN 54 N -1.13 0.51 0.12 -1.22 3.02 -1.26 -2.16 115.26 113.14 2k5n n ASN 54 Ca -0.06 0.61 0.12 0.00 -0.03 0.00 0.00 54.58 55.22 2k5n n ASN 54 Cb 0.59 -0.72 0.02 0.00 -0.61 0.00 0.00 39.78 39.06 2k5n n ASN 54 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 2k5n h LYS 55 N 0.00 0.00 0.00 3.52 1.79 -2.03 -3.50 116.57 116.35 2k5n h LYS 55 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2k5n h LYS 55 Cb 0.38 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.03 2k5n h LYS 55 CO 0.00 0.00 0.00 0.41 -1.08 0.00 0.00 179.45 178.78 2k5n n GLY 56 N 1.17 -0.37 3.77 3.86 0.00 -0.92 -5.12 105.19 107.59 2k5n n GLY 56 Ca 0.01 -1.29 -0.39 0.00 0.00 0.00 0.00 46.02 44.34 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 4.53 0.22 0.99 1.43 -1.26 -1.65 118.68 122.93 2k5n s LEU 57 Ca 0.00 1.49 -0.00 0.00 -1.03 0.00 0.00 54.13 54.59 2k5n s LEU 57 Cb 0.00 -3.18 -0.04 0.00 0.03 0.00 0.00 46.19 42.99 2k5n s LEU 57 CO 0.00 0.16 0.11 -0.44 0.23 0.00 0.00 176.35 176.41 2k5n s SER 58 N -0.75 0.55 0.03 2.29 0.01 -0.29 -2.44 113.70 113.11 2k5n s SER 58 Ca 0.35 -1.37 -0.00 0.00 1.31 0.00 0.00 55.95 56.23 2k5n s SER 58 Cb -0.21 0.29 -0.03 0.00 0.21 0.00 0.00 66.02 66.28 2k5n s SER 58 CO 0.23 -0.79 -0.03 0.00 0.41 0.00 0.00 173.24 173.06 2k5n s ALA 59 N -4.00 0.24 0.32 1.44 0.00 -1.25 -0.34 121.76 118.17 2k5n s ALA 59 Ca 0.38 -0.76 0.07 0.00 0.00 0.00 0.00 51.96 51.64 2k5n s ALA 59 Cb 0.07 0.18 -0.03 0.00 0.00 0.00 0.00 23.12 23.35 2k5n s ALA 59 CO 0.12 -0.22 0.26 2.48 0.00 0.00 0.00 175.76 178.41 2k5n n TYR 60 N 1.18 -0.73 -3.76 0.00 4.11 -0.08 -4.76 117.16 113.13 2k5n n TYR 60 Ca -0.21 -2.65 -0.23 0.00 -0.00 0.00 0.00 57.90 54.80 2k5n n TYR 60 Cb 0.57 0.27 0.03 0.00 -0.00 0.00 0.00 39.34 40.20 2k5n n TYR 60 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 2k5n n ALA 61 N -0.84 -1.89 -2.41 -3.48 0.00 -0.99 -1.92 120.51 108.98 2k5n n ALA 61 Ca -0.11 -0.12 -0.43 0.00 0.00 0.00 0.00 53.44 52.78 2k5n n ALA 61 Cb 0.57 -2.32 -0.02 0.00 0.00 0.00 0.00 19.45 17.68 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 -3.64 4.06 -0.31 0.00 1.01 0.51 -4.42 120.40 117.61 2k5n s VAL 62 Ca 0.11 1.14 -0.03 0.00 0.00 0.00 0.00 61.98 63.21 2k5n s VAL 62 Cb -0.06 -4.22 0.05 0.00 0.00 0.00 0.00 36.38 32.15 2k5n s VAL 62 CO 0.82 -0.63 0.03 -0.54 0.00 0.00 0.00 175.10 174.78 2k5n s LYS 63 N 4.49 2.47 0.64 2.72 1.02 0.10 -0.60 119.74 130.59 2k5n s LYS 63 Ca 0.57 -1.25 -0.17 0.00 0.02 0.00 0.00 55.97 55.15 2k5n s LYS 63 Cb -0.15 -3.25 -0.01 0.00 -0.52 0.00 0.00 37.83 33.91 2k5n s LYS 63 CO 0.27 -0.63 1.17 0.08 -0.92 0.00 0.00 175.35 175.32 2k5n s VAL 64 N 1.29 2.80 -0.80 3.17 1.01 -1.26 0.07 120.40 126.67 2k5n s VAL 64 Ca -0.04 0.43 -0.10 0.00 0.00 0.00 0.00 61.98 62.27 2k5n s VAL 64 Cb -0.20 -3.03 0.21 0.00 0.00 0.00 0.00 36.38 33.36 2k5n s VAL 64 CO -0.00 -0.18 0.71 -0.69 0.00 0.00 0.00 175.10 174.94 2k5n s VAL 65 N -1.95 5.05 0.56 2.92 1.01 0.15 -4.79 120.40 123.35 2k5n s VAL 65 Ca 0.73 -2.78 -0.20 0.00 0.00 0.00 0.00 61.98 59.73 2k5n s VAL 65 Cb -0.26 -4.15 -0.04 0.00 0.00 0.00 0.00 36.38 31.93 2k5n s VAL 65 CO 0.38 -1.01 1.24 -2.16 0.00 0.00 0.00 175.10 173.56 2k5n s PRO 66 N -0.12 3.13 0.57 2.72 0.04 -1.26 -4.61 135.00 135.47 2k5n s PRO 66 Ca 0.19 1.93 0.29 0.00 0.04 0.00 0.00 61.00 63.45 2k5n s PRO 66 Cb -0.13 -2.09 1.72 0.00 0.04 0.00 0.00 34.50 34.05 2k5n s PRO 66 CO -0.08 -1.10 2.21 1.37 0.04 0.00 0.00 177.00 179.44 2k5n h LEU 67 N 1.22 0.00 0.00 -3.56 -0.00 -1.97 -3.42 115.31 107.58 2k5n h LEU 67 Ca -0.50 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.38 2k5n h LEU 67 Cb 1.29 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.95 2k5n h LEU 67 CO 0.56 0.03 0.00 1.21 -0.00 0.00 0.00 178.44 180.25 2k5n n GLU 68 N -3.79 0.00 0.14 0.17 2.13 -1.26 -5.09 120.64 112.94 2k5n n GLU 68 Ca -0.03 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.79 2k5n n GLU 68 Cb 0.12 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.83 2k5n n GLU 68 CO 0.00 0.00 0.00 1.58 -0.41 0.00 0.00 177.13 178.30 2k5n n HIS 69 N -2.29 -3.14 -3.63 4.31 -0.00 -1.26 -5.14 115.22 104.06 2k5n n HIS 69 Ca 0.00 0.81 -0.11 0.00 -0.00 0.00 0.00 57.72 58.42 2k5n n HIS 69 Cb 0.00 2.01 -0.07 0.00 -0.00 0.00 0.00 29.99 31.93 2k5n n HIS 69 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2k5n s HIS 70 N -2.00 -0.88 0.27 1.57 5.65 -1.26 -4.87 115.29 113.77 2k5n s HIS 70 Ca 0.00 1.97 -0.03 0.00 0.25 0.00 0.00 55.06 57.25 2k5n s HIS 70 Cb 0.00 0.41 0.37 0.00 -1.18 0.00 0.00 32.58 32.18 2k5n s HIS 70 CO 0.00 -0.43 1.88 1.25 -0.65 0.00 0.00 174.74 176.79 2k5n h HIS 71 N 5.73 1.02 -0.58 3.88 2.76 -2.00 -3.48 115.15 122.48 2k5n h HIS 71 Ca -0.29 -0.03 0.06 0.00 -2.20 0.00 0.00 60.37 57.90 2k5n h HIS 71 Cb 1.19 -0.32 -0.03 0.00 1.55 0.00 0.00 27.41 29.79 2k5n h HIS 71 CO 0.26 0.73 -0.20 1.58 -1.30 0.00 0.00 177.93 179.00 2k5n n HIS 72 N -4.34 -0.64 -1.13 5.26 -0.00 -1.26 -5.08 115.22 108.03 2k5n n HIS 72 Ca 0.07 0.35 0.00 0.00 -0.00 0.00 0.00 57.72 58.14 2k5n n HIS 72 Cb 0.12 -0.58 0.00 0.00 -0.00 0.00 0.00 29.99 29.53 2k5n n HIS 72 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2k5n n HIS 73 N -2.44 0.00 -1.40 1.57 -0.00 -1.26 -5.29 115.22 106.40 2k5n n HIS 73 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.71 2k5n n HIS 73 Cb 0.11 -1.29 0.00 0.00 -0.00 0.00 0.00 29.99 28.82 2k5n n HIS 73 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92