#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 3.28 0.24 3.04 0.00 -1.26 -4.43 121.76 122.62 2k5n s ALA 2 Ca 0.00 0.42 0.07 0.00 0.00 0.00 0.00 51.96 52.44 2k5n s ALA 2 Cb 0.00 -3.84 -0.04 0.00 0.00 0.00 0.00 23.12 19.24 2k5n s ALA 2 CO 0.00 -1.93 0.19 -1.64 0.00 0.00 0.00 175.76 172.38 2k5n s MET 3 N 4.62 2.93 -0.07 0.00 -1.94 0.81 -4.75 119.30 120.89 2k5n s MET 3 Ca 0.69 -1.02 -0.06 0.00 -1.71 0.00 0.00 55.69 53.60 2k5n s MET 3 Cb -0.24 -2.58 -0.04 0.00 2.01 0.00 0.00 34.83 33.98 2k5n s MET 3 CO 0.28 0.41 0.17 0.54 -0.01 0.00 0.00 175.02 176.41 2k5n s ASN 4 N -3.73 6.40 0.18 3.03 4.22 -1.26 -0.45 114.94 123.32 2k5n s ASN 4 Ca 0.33 0.44 -0.00 0.00 -2.14 0.00 0.00 52.86 51.48 2k5n s ASN 4 Cb -0.08 -2.05 -0.04 0.00 1.28 0.00 0.00 41.25 40.36 2k5n s ASN 4 CO 0.25 0.35 0.08 -0.83 -2.04 0.00 0.00 177.10 174.90 2k5n s GLY 5 N -1.39 1.28 -0.08 0.45 0.00 0.11 -3.41 107.32 104.27 2k5n s GLY 5 Ca 0.20 -1.62 0.00 0.00 0.00 0.00 0.00 44.72 43.30 2k5n s GLY 5 CO 0.10 -1.43 -0.07 -1.59 0.00 0.00 0.00 173.10 170.11 2k5n s THR 6 N -3.99 3.66 -0.27 0.90 2.01 0.15 -0.40 115.64 117.70 2k5n s THR 6 Ca 0.31 -0.48 -0.29 0.00 0.31 0.00 0.00 61.69 61.53 2k5n s THR 6 Cb 0.07 -2.51 0.01 0.00 0.01 0.00 0.00 72.50 70.08 2k5n s THR 6 CO 0.07 0.58 1.10 -0.63 -0.69 0.00 0.00 174.62 175.05 2k5n s ILE 7 N -0.56 4.51 -0.15 1.82 1.01 0.35 -1.32 121.20 126.85 2k5n s ILE 7 Ca 0.08 1.77 -0.02 0.00 0.00 0.00 0.00 60.65 62.49 2k5n s ILE 7 Cb -0.12 -4.32 -0.09 0.00 0.01 0.00 0.00 42.46 37.95 2k5n s ILE 7 CO 0.02 -0.35 -0.16 0.35 0.00 0.00 0.00 174.94 174.80 2k5n n THR 8 N 5.68 0.85 -3.81 2.92 -2.24 -1.13 -1.58 114.28 114.97 2k5n n THR 8 Ca 0.12 -0.29 -0.21 0.00 -2.27 0.00 0.00 64.05 61.40 2k5n n THR 8 Cb 0.46 -1.27 -0.17 0.00 -2.10 0.00 0.00 70.33 67.25 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 -2.29 0.27 -0.02 4.28 2.01 -1.07 -4.84 115.64 113.98 2k5n s THR 9 Ca -0.21 0.15 0.00 0.00 0.31 0.00 0.00 61.69 61.95 2k5n s THR 9 Cb 0.06 -0.43 0.03 0.00 0.01 0.00 0.00 72.50 72.17 2k5n s THR 9 CO 0.32 0.23 0.02 0.86 -0.69 0.00 0.00 174.62 175.36 2k5n s TRP 10 N 1.79 0.09 -0.59 4.92 -0.11 -1.26 0.94 118.94 124.71 2k5n s TRP 10 Ca 0.02 0.09 -0.01 0.00 1.22 0.00 0.00 56.10 57.42 2k5n s TRP 10 Cb -0.13 -0.26 0.15 0.00 -1.50 0.00 0.00 33.47 31.74 2k5n s TRP 10 CO -0.04 -0.09 0.39 -0.06 -4.62 0.00 0.00 176.95 172.53 2k5n s PHE 11 N 0.98 3.36 0.34 5.86 0.08 -0.26 -4.91 117.98 123.42 2k5n s PHE 11 Ca -0.08 -2.84 0.22 0.00 0.12 0.00 0.00 56.93 54.34 2k5n s PHE 11 Cb -0.12 -3.10 1.09 0.00 -0.57 0.00 0.00 43.02 40.33 2k5n s PHE 11 CO -0.03 -0.82 1.94 -0.22 -0.10 0.00 0.00 175.22 176.00 2k5n h LYS 12 N 6.90 0.00 0.00 0.44 3.11 -1.95 0.26 116.57 125.33 2k5n h LYS 12 Ca -0.03 0.00 -0.02 0.00 -2.81 0.00 0.00 60.65 57.79 2k5n h LYS 12 Cb 0.94 0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 32.16 2k5n h LYS 12 CO 0.70 0.23 -0.31 0.22 -2.81 0.00 0.00 179.45 177.48 2k5n h ASP 13 N 0.00 0.00 0.02 4.20 3.58 -1.94 -3.35 116.42 118.93 2k5n h ASP 13 Ca -0.00 0.00 -0.39 0.00 0.42 0.00 0.00 57.03 57.06 2k5n h ASP 13 Cb 0.53 0.00 -0.06 0.00 1.72 0.00 0.00 39.33 41.52 2k5n h ASP 13 CO 0.03 0.07 -2.26 1.17 -2.88 0.00 0.00 179.24 175.37 2k5n n LYS 14 N -3.02 0.64 0.00 0.28 4.81 -0.83 -5.03 118.16 115.01 2k5n n LYS 14 Ca 0.03 0.26 0.00 0.00 -0.87 0.00 0.00 58.31 57.73 2k5n n LYS 14 Cb 0.57 -1.57 0.00 0.00 0.02 0.00 0.00 35.03 34.04 2k5n n LYS 14 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2k5n n GLY 15 N 1.77 0.91 3.50 3.14 0.00 0.86 -5.08 105.19 110.29 2k5n n GLY 15 Ca -0.45 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.43 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 -1.73 1.00 0.00 1.61 -0.12 -1.15 -0.22 117.98 117.37 2k5n s PHE 16 Ca 0.00 -1.25 0.00 0.00 -0.05 0.00 0.00 56.93 55.63 2k5n s PHE 16 Cb 0.00 -0.05 0.00 0.00 -0.63 0.00 0.00 43.02 42.34 2k5n s PHE 16 CO 0.00 -1.13 0.00 0.41 -0.05 0.00 0.00 175.22 174.45 2k5n n GLY 17 N -0.55 1.17 2.96 1.99 0.00 -1.13 -1.11 105.19 108.53 2k5n n GLY 17 Ca 0.01 -0.73 -0.22 0.00 0.00 0.00 0.00 46.02 45.08 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 -3.00 1.04 -0.06 1.61 0.08 0.27 -1.61 117.98 116.31 2k5n s PHE 18 Ca 0.00 -0.33 0.02 0.00 0.12 0.00 0.00 56.93 56.74 2k5n s PHE 18 Cb 0.00 -0.80 0.02 0.00 -0.57 0.00 0.00 43.02 41.66 2k5n s PHE 18 CO 0.00 -0.20 -0.10 0.42 -0.10 0.00 0.00 175.22 175.24 2k5n s ILE 19 N 0.65 0.98 -0.23 0.64 1.01 -1.02 -2.60 121.20 120.64 2k5n s ILE 19 Ca -0.11 -0.39 -0.08 0.00 0.00 0.00 0.00 60.65 60.07 2k5n s ILE 19 Cb -0.14 -0.92 -0.04 0.00 0.01 0.00 0.00 42.46 41.38 2k5n s ILE 19 CO 0.02 0.32 0.10 -0.75 0.00 0.00 0.00 174.94 174.62 2k5n s LYS 20 N 0.72 3.87 0.41 2.79 2.20 -0.44 -0.52 119.74 128.79 2k5n s LYS 20 Ca -0.14 -0.38 0.02 0.00 -0.36 0.00 0.00 55.97 55.12 2k5n s LYS 20 Cb -0.15 -3.36 0.08 0.00 -1.51 0.00 0.00 37.83 32.88 2k5n s LYS 20 CO 0.03 0.02 0.57 -0.40 -0.36 0.00 0.00 175.35 175.21 2k5n n ASP 21 N 4.35 1.01 -0.14 1.43 5.75 -1.14 0.29 116.55 128.11 2k5n n ASP 21 Ca -0.16 -1.80 0.12 0.00 -0.01 0.00 0.00 54.79 52.95 2k5n n ASP 21 Cb 0.52 -0.35 0.27 0.00 -1.03 0.00 0.00 41.12 40.54 2k5n n ASP 21 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 2k5n n GLU 22 N -2.00 0.44 -0.09 0.11 1.02 -1.22 -4.40 120.64 114.50 2k5n n GLU 22 Ca 0.10 -0.27 -0.09 0.00 -0.02 0.00 0.00 57.16 56.87 2k5n n GLU 22 Cb 0.37 -1.49 -0.03 0.00 -0.02 0.00 0.00 31.44 30.26 2k5n n GLU 22 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 2k5n n ASN 23 N -1.04 1.89 0.00 1.62 4.05 -1.26 -5.00 115.26 115.52 2k5n n ASN 23 Ca 0.09 0.45 0.00 0.00 0.45 0.00 0.00 54.58 55.57 2k5n n ASN 23 Cb 0.35 -0.81 0.00 0.00 1.23 0.00 0.00 39.78 40.55 2k5n n ASN 23 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2k5n n GLY 24 N 1.50 -0.04 0.00 8.20 0.00 -1.26 -5.16 105.19 108.43 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 -4.74 1.61 -0.08 -1.26 -4.93 116.55 107.14 2k5n n ASP 25 Ca 0.00 0.00 -0.41 0.00 -1.51 0.00 0.00 54.79 52.87 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 2.00 7.10 0.09 1.67 2.20 -1.26 -2.87 114.94 123.87 2k5n s ASN 26 Ca 0.00 2.25 0.07 0.00 -0.94 0.00 0.00 52.86 54.24 2k5n s ASN 26 Cb 0.00 -2.61 -0.04 0.00 -2.00 0.00 0.00 41.25 36.60 2k5n s ASN 26 CO 0.00 -0.35 -0.14 -0.13 -2.94 0.00 0.00 177.10 173.55 2k5n s ARG 27 N -0.43 2.03 -0.33 3.55 0.52 0.32 -4.56 118.95 120.05 2k5n s ARG 27 Ca 0.52 -1.05 -0.25 0.00 -0.52 0.00 0.00 55.73 54.43 2k5n s ARG 27 Cb -0.33 -2.24 0.01 0.00 0.52 0.00 0.00 34.95 32.91 2k5n s ARG 27 CO 0.38 0.51 0.86 -0.47 0.02 0.00 0.00 175.30 176.60 2k5n s TYR 28 N -1.14 3.15 0.29 -0.53 5.04 -0.71 -2.43 117.35 121.02 2k5n s TYR 28 Ca 0.19 0.81 0.08 0.00 -2.44 0.00 0.00 57.07 55.72 2k5n s TYR 28 Cb -0.11 -3.43 -0.04 0.00 0.35 0.00 0.00 41.96 38.74 2k5n s TYR 28 CO 0.11 -0.69 0.12 -0.06 -1.34 0.00 0.00 175.55 173.69 2k5n s PHE 29 N 3.21 2.84 -0.09 4.97 0.40 -0.63 -4.32 117.98 124.36 2k5n s PHE 29 Ca 0.35 -0.24 -0.08 0.00 -0.60 0.00 0.00 56.93 56.37 2k5n s PHE 29 Cb -0.13 -1.43 0.03 0.00 0.51 0.00 0.00 43.02 42.00 2k5n s PHE 29 CO 0.15 0.48 0.24 -1.58 0.70 0.00 0.00 175.22 175.21 2k5n s HIS 30 N -2.29 -0.28 0.55 0.36 2.46 -1.26 -2.82 115.29 112.01 2k5n s HIS 30 Ca 0.34 0.67 0.31 0.00 0.47 0.00 0.00 55.06 56.86 2k5n s HIS 30 Cb -0.06 0.09 1.47 0.00 -0.13 0.00 0.00 32.58 33.95 2k5n s HIS 30 CO 0.23 -0.14 1.86 -0.24 -2.47 0.00 0.00 174.74 173.97 2k5n h VAL 31 N 4.93 0.47 0.00 0.89 3.04 -0.98 -0.16 116.25 124.44 2k5n h VAL 31 Ca -0.28 0.00 -0.01 0.00 -1.01 0.00 0.00 66.70 65.40 2k5n h VAL 31 Cb 1.19 0.53 -0.00 0.00 -2.01 0.00 0.00 31.29 31.00 2k5n h VAL 31 CO 0.36 0.00 -0.06 -0.29 -1.01 0.00 0.00 177.57 176.57 2k5n h ILE 32 N 0.00 0.73 -0.56 3.17 2.10 -1.97 -1.28 117.51 119.69 2k5n h ILE 32 Ca 0.39 -0.22 0.00 0.00 1.08 0.00 0.00 64.86 66.11 2k5n h ILE 32 Cb 1.69 1.13 0.00 0.00 -1.09 0.00 0.00 36.82 38.56 2k5n h ILE 32 CO -0.00 0.06 0.00 0.29 -1.08 0.00 0.00 178.15 177.41 2k5n n LYS 33 N -4.01 2.62 -3.68 2.19 4.76 -0.07 -4.88 118.16 115.09 2k5n n LYS 33 Ca -0.03 -2.48 -0.37 0.00 -2.87 0.00 0.00 58.31 52.56 2k5n n LYS 33 Cb 0.14 -1.55 -0.10 0.00 -1.84 0.00 0.00 35.03 31.69 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 -1.26 5.22 0.13 -0.18 1.01 -0.49 -1.73 120.40 123.11 2k5n s VAL 34 Ca 0.44 0.13 -0.10 0.00 0.00 0.00 0.00 61.98 62.45 2k5n s VAL 34 Cb 0.24 -3.44 -0.10 0.00 0.00 0.00 0.00 36.38 33.09 2k5n s VAL 34 CO 0.33 0.33 1.40 0.00 0.00 0.00 0.00 175.10 177.16 2k5n h ALA 35 N 7.69 0.47 -2.48 5.51 0.00 -1.42 -3.38 119.26 125.66 2k5n h ALA 35 Ca -0.37 -0.54 -0.59 0.00 0.00 0.00 0.00 54.91 53.41 2k5n h ALA 35 Cb 1.17 -0.06 -0.39 0.00 0.00 0.00 0.00 17.79 18.51 2k5n h ALA 35 CO 0.63 0.69 -0.88 0.27 0.00 0.00 0.00 179.25 179.96 2k5n n ASN 36 N -3.98 0.64 0.23 0.00 6.94 -1.26 -4.97 115.26 112.86 2k5n n ASN 36 Ca -0.05 -2.67 0.13 0.00 -0.02 0.00 0.00 54.58 51.98 2k5n n ASN 36 Cb 0.65 -0.62 0.33 0.00 -2.36 0.00 0.00 39.78 37.78 2k5n n ASN 36 CO 0.00 0.00 0.00 1.55 -1.03 0.00 0.00 177.26 177.78 2k5n h PRO 37 N 5.29 0.00 -0.01 -0.53 0.13 -1.92 -3.07 132.00 131.90 2k5n h PRO 37 Ca 0.21 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.34 2k5n h PRO 37 Cb 0.86 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.99 2k5n h PRO 37 CO 0.49 0.00 -0.13 -0.25 -0.23 0.00 0.00 178.00 177.88 2k5n n ASP 38 N -3.04 1.03 -0.76 1.44 9.92 -1.26 -2.90 116.55 120.98 2k5n n ASP 38 Ca 0.03 -1.05 0.12 0.00 -0.53 0.00 0.00 54.79 53.36 2k5n n ASP 38 Cb 0.46 0.04 0.10 0.00 -0.64 0.00 0.00 41.12 41.08 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 -0.44 2.54 -4.67 0.64 4.77 -1.16 -4.94 117.00 113.73 2k5n n LEU 39 Ca 0.16 -0.87 -0.42 0.00 -0.03 0.00 0.00 56.01 54.84 2k5n n LEU 39 Cb 0.32 -0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.38 2k5n n LEU 39 CO 0.22 0.44 1.14 -0.63 -1.33 0.00 0.00 177.39 177.23 2k5n s ILE 40 N -2.17 3.91 0.31 -0.08 1.01 -1.14 -4.82 121.20 118.22 2k5n s ILE 40 Ca 0.25 1.20 0.08 0.00 0.00 0.00 0.00 60.65 62.18 2k5n s ILE 40 Cb 0.19 -3.77 -0.06 0.00 0.01 0.00 0.00 42.46 38.83 2k5n s ILE 40 CO 0.40 -0.05 -0.07 -0.54 0.00 0.00 0.00 174.94 174.68 2k5n s LYS 41 N 3.04 1.68 0.41 2.79 -0.14 -1.26 -5.10 119.74 121.16 2k5n s LYS 41 Ca 0.62 -1.86 -0.22 0.00 -1.36 0.00 0.00 55.97 53.15 2k5n s LYS 41 Cb -0.28 -1.38 -0.10 0.00 -1.68 0.00 0.00 37.83 34.39 2k5n s LYS 41 CO 0.23 0.07 0.98 0.15 -0.76 0.00 0.00 175.35 176.02 2k5n s LYS 42 N -3.69 4.21 -1.79 1.68 1.02 -1.26 -3.37 119.74 116.54 2k5n s LYS 42 Ca 0.31 1.26 0.00 0.00 0.02 0.00 0.00 55.97 57.56 2k5n s LYS 42 Cb 0.04 -2.34 0.00 0.00 -0.52 0.00 0.00 37.83 35.00 2k5n s LYS 42 CO 0.14 -0.06 0.00 -3.47 -0.92 0.00 0.00 175.35 171.05 2k5n n ASP 43 N -0.37 -5.50 -4.99 2.83 2.03 -0.62 -5.00 116.55 104.93 2k5n n ASP 43 Ca 0.06 0.14 -0.19 0.00 0.52 0.00 0.00 54.79 55.32 2k5n n ASP 43 Cb 0.52 -4.60 -0.00 0.00 -0.72 0.00 0.00 41.12 36.32 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 -2.89 4.20 -0.11 -1.67 0.00 -1.22 -4.81 121.76 115.26 2k5n s ALA 44 Ca 0.00 -1.42 -0.05 0.00 0.00 0.00 0.00 51.96 50.49 2k5n s ALA 44 Cb 0.00 -1.71 -0.04 0.00 0.00 0.00 0.00 23.12 21.37 2k5n s ALA 44 CO 0.00 -0.05 0.07 0.00 0.00 0.00 0.00 175.76 175.78 2k5n s ALA 45 N -2.19 3.56 0.08 0.00 0.00 -1.26 -0.50 121.76 121.45 2k5n s ALA 45 Ca 0.45 -0.73 0.05 0.00 0.00 0.00 0.00 51.96 51.73 2k5n s ALA 45 Cb -0.10 -1.75 -0.03 0.00 0.00 0.00 0.00 23.12 21.25 2k5n s ALA 45 CO 0.31 0.55 -0.13 0.14 0.00 0.00 0.00 175.76 176.64 2k5n s VAL 46 N -0.80 1.05 -0.11 0.00 -7.23 0.47 -1.48 120.40 112.30 2k5n s VAL 46 Ca 0.13 -1.44 -0.01 0.00 -1.81 0.00 0.00 61.98 58.86 2k5n s VAL 46 Cb -0.12 -1.18 -0.03 0.00 0.56 0.00 0.00 36.38 35.62 2k5n s VAL 46 CO 0.03 -0.36 -0.08 0.42 -0.31 0.00 0.00 175.10 174.81 2k5n s THR 47 N -1.72 3.59 0.19 5.32 -4.23 0.42 0.07 115.64 119.28 2k5n s THR 47 Ca 0.01 -0.49 -0.13 0.00 -1.18 0.00 0.00 61.69 59.89 2k5n s THR 47 Cb -0.07 -2.51 0.01 0.00 1.34 0.00 0.00 72.50 71.27 2k5n s THR 47 CO 0.02 0.55 0.42 0.72 -0.54 0.00 0.00 174.62 175.79 2k5n s PHE 48 N -0.19 0.15 0.04 3.99 -0.12 0.41 -0.13 117.98 122.12 2k5n s PHE 48 Ca 0.02 -0.50 -0.15 0.00 -0.05 0.00 0.00 56.93 56.25 2k5n s PHE 48 Cb -0.13 0.19 -0.06 0.00 -0.63 0.00 0.00 43.02 42.39 2k5n s PHE 48 CO 0.03 -0.85 0.46 -1.21 -0.05 0.00 0.00 175.22 173.59 2k5n s GLU 49 N -3.93 3.96 0.07 1.99 0.41 0.66 -0.14 118.70 121.73 2k5n s GLU 49 Ca 0.14 0.45 -0.20 0.00 -0.41 0.00 0.00 54.97 54.95 2k5n s GLU 49 Cb 0.01 -3.16 -0.07 0.00 -1.78 0.00 0.00 34.13 29.13 2k5n s GLU 49 CO -0.00 0.64 0.59 -1.25 -0.49 0.00 0.00 175.26 174.75 2k5n s PRO 50 N -1.31 4.26 0.29 0.39 0.05 -1.26 -1.30 135.00 136.12 2k5n s PRO 50 Ca 0.28 0.78 -0.09 0.00 0.05 0.00 0.00 61.00 62.02 2k5n s PRO 50 Cb -0.17 -3.25 0.00 0.00 0.05 0.00 0.00 34.50 31.13 2k5n s PRO 50 CO 0.16 0.60 0.49 -0.08 0.05 0.00 0.00 177.00 178.21 2k5n s THR 51 N -0.99 0.00 0.11 1.26 -1.32 -0.36 -4.94 115.64 109.40 2k5n s THR 51 Ca 0.30 -1.47 0.07 0.00 -1.21 0.00 0.00 61.69 59.38 2k5n s THR 51 Cb -0.20 -2.44 -0.03 0.00 -1.51 0.00 0.00 72.50 68.32 2k5n s THR 51 CO 0.20 0.00 -0.17 -0.89 -2.21 0.00 0.00 174.62 171.54 2k5n s THR 52 N -3.53 1.48 0.33 5.08 2.01 -1.26 -1.36 115.64 118.39 2k5n s THR 52 Ca 0.26 -1.57 0.05 0.00 0.31 0.00 0.00 61.69 60.74 2k5n s THR 52 Cb -0.01 -1.46 -0.03 0.00 0.01 0.00 0.00 72.50 71.02 2k5n s THR 52 CO 0.13 -0.22 0.22 0.20 -0.69 0.00 0.00 174.62 174.26 2k5n s ASN 53 N -2.08 1.70 0.07 3.53 0.02 0.14 -4.86 114.94 113.47 2k5n s ASN 53 Ca 0.06 -1.67 0.23 0.00 -1.02 0.00 0.00 52.86 50.45 2k5n s ASN 53 Cb -0.08 0.50 0.92 0.00 0.02 0.00 0.00 41.25 42.61 2k5n s ASN 53 CO 0.04 -0.99 1.71 0.59 0.02 0.00 0.00 177.10 178.47 2k5n n ASN 54 N -1.27 0.24 -0.52 -1.22 3.02 -1.26 -2.25 115.26 111.99 2k5n n ASN 54 Ca 0.03 0.54 0.12 0.00 -0.03 0.00 0.00 54.58 55.25 2k5n n ASN 54 Cb 0.64 -0.60 0.24 0.00 -0.61 0.00 0.00 39.78 39.45 2k5n n ASN 54 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2k5n n LYS 55 N -1.74 1.44 0.00 3.52 4.76 -1.26 -5.06 118.16 119.82 2k5n n LYS 55 Ca 0.05 -1.05 0.00 0.00 -2.87 0.00 0.00 58.31 54.44 2k5n n LYS 55 Cb 0.28 -1.48 0.00 0.00 -1.84 0.00 0.00 35.03 31.99 2k5n n LYS 55 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2k5n n GLY 56 N 1.33 0.14 3.81 0.72 0.00 -0.96 -5.00 105.19 105.24 2k5n n GLY 56 Ca 0.13 -1.70 -0.36 0.00 0.00 0.00 0.00 46.02 44.09 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 4.34 0.20 0.99 1.43 -1.26 -0.68 118.68 123.69 2k5n s LEU 57 Ca 0.00 1.45 -0.05 0.00 -1.03 0.00 0.00 54.13 54.50 2k5n s LEU 57 Cb 0.00 -3.62 -0.03 0.00 0.03 0.00 0.00 46.19 42.57 2k5n s LEU 57 CO 0.00 0.02 0.22 -0.44 0.23 0.00 0.00 176.35 176.38 2k5n s SER 58 N -1.66 0.10 0.21 2.29 0.01 -0.46 -1.73 113.70 112.46 2k5n s SER 58 Ca 0.44 -1.20 -0.11 0.00 1.31 0.00 0.00 55.95 56.39 2k5n s SER 58 Cb -0.17 0.42 -0.01 0.00 0.21 0.00 0.00 66.02 66.48 2k5n s SER 58 CO 0.21 -0.90 0.38 0.00 0.41 0.00 0.00 173.24 173.34 2k5n s ALA 59 N -4.09 -0.06 0.36 1.44 0.00 -1.26 -1.22 121.76 116.93 2k5n s ALA 59 Ca 0.31 -0.92 -0.02 0.00 0.00 0.00 0.00 51.96 51.33 2k5n s ALA 59 Cb 0.05 1.02 0.01 0.00 0.00 0.00 0.00 23.12 24.20 2k5n s ALA 59 CO 0.08 -0.75 0.51 2.48 0.00 0.00 0.00 175.76 178.08 2k5n n TYR 60 N -0.31 -1.50 -3.73 0.00 4.11 -0.42 -4.90 117.16 110.40 2k5n n TYR 60 Ca -0.04 -2.43 -0.26 0.00 -0.00 0.00 0.00 57.90 55.17 2k5n n TYR 60 Cb 0.63 0.58 0.05 0.00 -0.00 0.00 0.00 39.34 40.60 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 -0.61 -1.41 -2.07 -3.48 0.00 -1.20 -0.24 120.51 111.49 2k5n n ALA 61 Ca -0.14 0.24 -0.39 0.00 0.00 0.00 0.00 53.44 53.14 2k5n n ALA 61 Cb 0.61 -4.59 -0.03 0.00 0.00 0.00 0.00 19.45 15.44 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 -3.34 3.42 -0.34 0.00 1.01 -0.70 -4.38 120.40 116.06 2k5n s VAL 62 Ca 0.53 0.29 -0.12 0.00 0.00 0.00 0.00 61.98 62.68 2k5n s VAL 62 Cb -0.25 -3.95 -0.01 0.00 0.00 0.00 0.00 36.38 32.17 2k5n s VAL 62 CO 0.78 -0.87 0.22 -0.75 0.00 0.00 0.00 175.10 174.48 2k5n s LYS 63 N 6.68 3.32 0.14 2.72 2.20 0.81 -1.13 119.74 134.49 2k5n s LYS 63 Ca 0.67 -0.76 -0.30 0.00 -0.36 0.00 0.00 55.97 55.23 2k5n s LYS 63 Cb -0.14 -3.75 -0.07 0.00 -1.51 0.00 0.00 37.83 32.36 2k5n s LYS 63 CO 0.23 -0.50 1.04 0.08 -0.36 0.00 0.00 175.35 175.84 2k5n s VAL 64 N 1.67 4.18 -0.76 4.02 1.01 -1.26 -0.44 120.40 128.83 2k5n s VAL 64 Ca 0.05 1.82 -0.03 0.00 0.00 0.00 0.00 61.98 63.82 2k5n s VAL 64 Cb -0.18 -4.16 0.19 0.00 0.00 0.00 0.00 36.38 32.23 2k5n s VAL 64 CO 0.09 0.29 0.61 -0.69 0.00 0.00 0.00 175.10 175.39 2k5n s VAL 65 N -0.04 4.14 0.00 2.92 1.01 -0.55 -4.92 120.40 122.96 2k5n s VAL 65 Ca 0.49 -3.31 0.00 0.00 0.00 0.00 0.00 61.98 59.15 2k5n s VAL 65 Cb -0.26 -3.62 0.00 0.00 0.00 0.00 0.00 36.38 32.49 2k5n s VAL 65 CO 0.32 -0.98 0.00 -0.81 0.00 0.00 0.00 175.10 173.63 2k5n n PRO 66 N 3.02 0.79 -3.54 2.72 -0.04 -1.26 -4.24 135.00 132.45 2k5n n PRO 66 Ca 0.14 0.00 -0.40 0.00 -0.04 0.00 0.00 63.50 63.20 2k5n n PRO 66 Cb 0.38 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.79 2k5n n PRO 66 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2k5n s LEU 67 N 0.00 5.86 -0.02 1.53 1.43 -1.26 -5.04 118.68 121.18 2k5n s LEU 67 Ca 0.00 -3.27 -0.36 0.00 -1.03 0.00 0.00 54.13 49.47 2k5n s LEU 67 Cb 0.00 -2.01 -0.15 0.00 0.03 0.00 0.00 46.19 44.06 2k5n s LEU 67 CO 0.00 -0.33 1.60 1.21 0.23 0.00 0.00 176.35 179.06 2k5n n GLU 68 N 3.03 1.59 -4.51 1.70 2.13 -1.26 -4.99 120.64 118.33 2k5n n GLU 68 Ca 0.17 0.58 -0.25 0.00 0.66 0.00 0.00 57.16 58.32 2k5n n GLU 68 Cb 0.40 -2.30 -0.17 0.00 0.27 0.00 0.00 31.44 29.64 2k5n n GLU 68 CO 0.00 0.00 0.00 -1.01 -0.41 0.00 0.00 177.13 175.71 2k5n s HIS 69 N 2.00 1.46 0.27 4.31 3.76 -1.26 -5.11 115.29 120.71 2k5n s HIS 69 Ca 0.88 -0.56 -0.31 0.00 -0.15 0.00 0.00 55.06 54.93 2k5n s HIS 69 Cb -0.87 -1.08 -0.12 0.00 1.11 0.00 0.00 32.58 31.62 2k5n s HIS 69 CO 0.50 -0.30 1.65 1.58 -0.85 0.00 0.00 174.74 177.32 2k5n n HIS 70 N 3.93 2.86 -2.48 1.40 -0.00 -1.26 -4.95 115.22 114.72 2k5n n HIS 70 Ca -0.22 0.18 -0.41 0.00 0.46 0.00 0.00 57.72 57.73 2k5n n HIS 70 Cb 0.52 -2.63 -0.04 0.00 -0.12 0.00 0.00 29.99 27.72 2k5n n HIS 70 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 2k5n s HIS 71 N 0.37 3.55 0.18 1.57 3.76 -1.26 -5.00 115.29 118.46 2k5n s HIS 71 Ca 0.67 1.56 -0.30 0.00 -0.15 0.00 0.00 55.06 56.85 2k5n s HIS 71 Cb -0.49 -3.31 -0.08 0.00 1.11 0.00 0.00 32.58 29.81 2k5n s HIS 71 CO 0.43 -0.74 1.12 -3.38 -0.85 0.00 0.00 174.74 171.32 2k5n s HIS 72 N -0.21 3.56 -0.72 1.40 -3.43 -1.26 -4.98 115.29 109.65 2k5n s HIS 72 Ca 0.50 1.57 0.04 0.00 -0.80 0.00 0.00 55.06 56.37 2k5n s HIS 72 Cb -0.30 -3.30 0.28 0.00 -1.43 0.00 0.00 32.58 27.83 2k5n s HIS 72 CO 0.35 -0.72 0.97 -2.39 -2.00 0.00 0.00 174.74 170.96 2k5n n HIS 73 N 2.33 3.47 -0.98 0.38 1.44 -1.26 -5.34 115.22 115.26 2k5n n HIS 73 Ca 0.03 -3.78 0.00 0.00 -2.01 0.00 0.00 57.72 51.96 2k5n n HIS 73 Cb 0.46 -0.69 0.00 0.00 0.12 0.00 0.00 29.99 29.88 2k5n n HIS 73 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25