#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 3.41 0.23 -5.12 0.00 -1.26 -4.22 121.76 114.80 2k5n s ALA 2 Ca 0.00 -1.46 0.02 0.00 0.00 0.00 0.00 51.96 50.51 2k5n s ALA 2 Cb 0.00 -2.60 -0.04 0.00 0.00 0.00 0.00 23.12 20.48 2k5n s ALA 2 CO 0.00 -1.06 0.39 -1.64 0.00 0.00 0.00 175.76 173.46 2k5n s MET 3 N 1.67 3.48 -0.15 0.00 1.00 -0.05 -4.85 119.30 120.39 2k5n s MET 3 Ca 0.05 -0.50 -0.14 0.00 0.00 0.00 0.00 55.69 55.10 2k5n s MET 3 Cb -0.18 -2.84 -0.05 0.00 0.00 0.00 0.00 34.83 31.77 2k5n s MET 3 CO 0.09 0.38 0.32 -0.80 0.00 0.00 0.00 175.02 175.00 2k5n s ASN 4 N -3.56 6.47 0.23 3.03 -0.87 -1.26 -2.14 114.94 116.84 2k5n s ASN 4 Ca 0.37 0.55 -0.00 0.00 -1.57 0.00 0.00 52.86 52.21 2k5n s ASN 4 Cb -0.10 -2.19 -0.03 0.00 -0.02 0.00 0.00 41.25 38.90 2k5n s ASN 4 CO 0.30 0.09 0.19 -0.83 -2.57 0.00 0.00 177.10 174.28 2k5n s GLY 5 N 0.44 1.55 -0.01 0.66 0.00 0.44 -2.04 107.32 108.37 2k5n s GLY 5 Ca 0.18 -1.71 0.03 0.00 0.00 0.00 0.00 44.72 43.21 2k5n s GLY 5 CO 0.05 -1.35 -0.09 -1.59 0.00 0.00 0.00 173.10 170.11 2k5n s THR 6 N -3.99 0.74 -0.54 0.90 2.01 0.60 -0.17 115.64 115.18 2k5n s THR 6 Ca 0.38 -0.40 -0.28 0.00 0.31 0.00 0.00 61.69 61.71 2k5n s THR 6 Cb 0.05 -0.62 0.02 0.00 0.01 0.00 0.00 72.50 71.96 2k5n s THR 6 CO 0.15 0.21 1.37 -0.63 -0.69 0.00 0.00 174.62 175.03 2k5n s ILE 7 N -0.19 3.85 -0.14 1.82 1.01 -0.35 -1.76 121.20 125.45 2k5n s ILE 7 Ca 0.03 0.76 -0.12 0.00 0.00 0.00 0.00 60.65 61.32 2k5n s ILE 7 Cb -0.04 -4.46 -0.04 0.00 0.01 0.00 0.00 42.46 37.93 2k5n s ILE 7 CO -0.00 -1.14 -0.23 0.35 0.00 0.00 0.00 174.94 173.91 2k5n n THR 8 N 6.86 1.25 -3.51 2.92 -2.24 -1.04 -0.21 114.28 118.31 2k5n n THR 8 Ca 0.12 0.22 -0.39 0.00 -2.27 0.00 0.00 64.05 61.73 2k5n n THR 8 Cb 0.49 -2.24 -0.10 0.00 -2.10 0.00 0.00 70.33 66.37 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 -2.38 5.26 -0.03 4.28 2.01 -0.87 -4.74 115.64 119.16 2k5n s THR 9 Ca -0.19 0.14 -0.01 0.00 0.31 0.00 0.00 61.69 61.93 2k5n s THR 9 Cb 0.03 -3.65 0.03 0.00 0.01 0.00 0.00 72.50 68.92 2k5n s THR 9 CO 0.29 0.12 0.06 0.86 -0.69 0.00 0.00 174.62 175.26 2k5n s TRP 10 N 1.85 -0.00 -0.57 4.92 -0.00 -1.26 0.74 118.94 124.61 2k5n s TRP 10 Ca 0.09 0.23 0.01 0.00 -0.00 0.00 0.00 56.10 56.44 2k5n s TRP 10 Cb -0.16 -0.27 0.15 0.00 -0.00 0.00 0.00 33.47 33.18 2k5n s TRP 10 CO 0.11 -0.13 0.35 -0.06 -0.00 0.00 0.00 176.95 177.21 2k5n s PHE 11 N 1.39 3.28 0.35 5.86 0.08 -0.57 -4.93 117.98 123.45 2k5n s PHE 11 Ca -0.05 -3.00 0.05 0.00 0.12 0.00 0.00 56.93 54.04 2k5n s PHE 11 Cb -0.13 -2.97 0.66 0.00 -0.57 0.00 0.00 43.02 40.01 2k5n s PHE 11 CO -0.04 -0.78 1.92 -0.22 -0.10 0.00 0.00 175.22 176.01 2k5n h LYS 12 N 6.66 0.52 0.00 0.44 3.64 -1.96 0.45 116.57 126.32 2k5n h LYS 12 Ca -0.05 -0.09 -0.02 0.00 -1.27 0.00 0.00 60.65 59.23 2k5n h LYS 12 Cb 0.91 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 32.64 2k5n h LYS 12 CO 0.70 0.51 -0.07 0.22 -2.27 0.00 0.00 179.45 178.53 2k5n h ASP 13 N 0.51 0.00 0.00 4.20 3.58 -1.95 -3.30 116.42 119.47 2k5n h ASP 13 Ca 0.12 0.00 -0.39 0.00 0.42 0.00 0.00 57.03 57.17 2k5n h ASP 13 Cb 0.24 0.00 -0.06 0.00 1.72 0.00 0.00 39.33 41.23 2k5n h ASP 13 CO 0.00 0.07 -2.38 1.17 -2.88 0.00 0.00 179.24 175.22 2k5n n LYS 14 N -3.25 0.56 0.00 0.28 3.00 -0.40 -5.04 118.16 113.31 2k5n n LYS 14 Ca -0.00 0.19 0.00 0.00 -0.00 0.00 0.00 58.31 58.50 2k5n n LYS 14 Cb 0.30 -1.43 0.00 0.00 0.00 0.00 0.00 35.03 33.90 2k5n n LYS 14 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2k5n n GLY 15 N 1.83 0.97 3.26 3.14 0.00 0.14 -5.08 105.19 109.46 2k5n n GLY 15 Ca -0.46 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.39 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 1.49 0.00 1.61 -0.71 -1.21 -0.73 117.98 116.43 2k5n s PHE 16 Ca 0.00 -1.53 0.00 0.00 -1.04 0.00 0.00 56.93 54.36 2k5n s PHE 16 Cb 0.00 -0.63 0.00 0.00 -1.21 0.00 0.00 43.02 41.18 2k5n s PHE 16 CO 0.00 -0.79 0.00 0.41 -1.34 0.00 0.00 175.22 173.50 2k5n n GLY 17 N -0.48 0.77 2.83 1.99 0.00 -0.50 -1.51 105.19 108.29 2k5n n GLY 17 Ca 0.05 -0.63 -0.17 0.00 0.00 0.00 0.00 46.02 45.27 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 -2.09 0.36 -0.11 1.61 0.08 0.23 -0.98 117.98 117.08 2k5n s PHE 18 Ca 0.00 -0.02 0.02 0.00 0.12 0.00 0.00 56.93 57.05 2k5n s PHE 18 Cb 0.00 -0.44 -0.01 0.00 -0.57 0.00 0.00 43.02 42.00 2k5n s PHE 18 CO 0.00 -0.14 -0.18 0.42 -0.10 0.00 0.00 175.22 175.22 2k5n s ILE 19 N 1.01 2.62 -0.16 0.64 1.01 -1.09 -2.06 121.20 123.17 2k5n s ILE 19 Ca -0.10 -0.83 -0.06 0.00 0.00 0.00 0.00 60.65 59.67 2k5n s ILE 19 Cb -0.14 -2.05 -0.03 0.00 0.01 0.00 0.00 42.46 40.25 2k5n s ILE 19 CO -0.02 0.54 0.02 -0.75 0.00 0.00 0.00 174.94 174.74 2k5n s LYS 20 N 0.23 3.79 0.67 2.79 2.20 -0.72 -0.73 119.74 127.97 2k5n s LYS 20 Ca -0.12 -0.42 0.00 0.00 -0.36 0.00 0.00 55.97 55.08 2k5n s LYS 20 Cb -0.16 -3.06 0.10 0.00 -1.51 0.00 0.00 37.83 33.20 2k5n s LYS 20 CO 0.06 0.29 0.93 0.16 -0.36 0.00 0.00 175.35 176.44 2k5n s ASP 21 N 0.27 4.62 -0.16 1.43 1.47 -0.72 -0.30 116.67 123.28 2k5n s ASP 21 Ca 0.01 -0.31 0.17 0.00 1.18 0.00 0.00 52.55 53.59 2k5n s ASP 21 Cb -0.13 -0.20 0.76 0.00 -0.34 0.00 0.00 42.92 43.01 2k5n s ASP 21 CO 0.01 -1.65 1.67 -0.62 0.68 0.00 0.00 175.17 175.26 2k5n n GLU 22 N -2.68 4.18 -0.03 2.11 1.02 -0.86 -4.32 120.64 120.05 2k5n n GLU 22 Ca 0.13 -3.00 -0.06 0.00 -0.02 0.00 0.00 57.16 54.21 2k5n n GLU 22 Cb 0.60 -2.04 -0.03 0.00 -0.02 0.00 0.00 31.44 29.95 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 0.87 2.32 0.00 1.62 5.15 -1.26 -5.03 115.26 118.92 2k5n n ASN 23 Ca 0.26 0.01 0.00 0.00 -0.60 0.00 0.00 54.58 54.26 2k5n n ASN 23 Cb 1.01 -0.15 0.00 0.00 -0.53 0.00 0.00 39.78 40.12 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 2.93 0.24 0.00 8.20 0.00 -1.26 -5.18 105.19 110.13 2k5n n GLY 24 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.91 0.00 -4.94 1.61 2.03 -1.26 -4.97 116.55 108.11 2k5n n ASP 25 Ca 0.00 -0.09 -0.27 0.00 0.52 0.00 0.00 54.79 54.95 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 1.73 6.35 0.29 1.67 4.22 -1.26 -1.76 114.94 126.18 2k5n s ASN 26 Ca 0.00 0.24 0.08 0.00 -2.14 0.00 0.00 52.86 51.04 2k5n s ASN 26 Cb 0.00 -1.94 -0.06 0.00 1.28 0.00 0.00 41.25 40.53 2k5n s ASN 26 CO 0.00 0.04 -0.10 -0.13 -2.04 0.00 0.00 177.10 174.88 2k5n s ARG 27 N -3.16 1.62 -0.05 3.55 3.00 0.09 -4.85 118.95 119.16 2k5n s ARG 27 Ca 0.36 -1.81 -0.28 0.00 0.00 0.00 0.00 55.73 54.00 2k5n s ARG 27 Cb -0.11 -1.40 -0.03 0.00 0.00 0.00 0.00 34.95 33.42 2k5n s ARG 27 CO 0.28 0.12 0.91 -0.47 0.00 0.00 0.00 175.30 176.15 2k5n s TYR 28 N -2.82 3.60 0.17 -0.53 5.04 0.12 -2.69 117.35 120.24 2k5n s TYR 28 Ca 0.30 1.55 0.07 0.00 -2.44 0.00 0.00 57.07 56.55 2k5n s TYR 28 Cb 0.02 -3.06 -0.04 0.00 0.35 0.00 0.00 41.96 39.23 2k5n s TYR 28 CO 0.13 -0.04 -0.15 -0.06 -1.34 0.00 0.00 175.55 174.09 2k5n s PHE 29 N 1.23 1.61 -0.01 4.97 0.40 -0.16 -3.87 117.98 122.15 2k5n s PHE 29 Ca 0.47 -0.56 -0.13 0.00 -0.60 0.00 0.00 56.93 56.12 2k5n s PHE 29 Cb -0.19 -0.79 0.02 0.00 0.51 0.00 0.00 43.02 42.56 2k5n s PHE 29 CO 0.23 0.26 0.26 -1.58 0.70 0.00 0.00 175.22 175.10 2k5n s HIS 30 N -2.53 -0.12 -0.25 0.36 2.46 -1.26 -1.40 115.29 112.54 2k5n s HIS 30 Ca 0.16 0.15 0.00 0.00 0.47 0.00 0.00 55.06 55.85 2k5n s HIS 30 Cb -0.03 0.06 0.00 0.00 -0.13 0.00 0.00 32.58 32.48 2k5n s HIS 30 CO 0.05 -0.36 0.48 1.55 -2.47 0.00 0.00 174.74 173.99 2k5n n VAL 31 N 1.31 0.41 -0.01 0.89 3.14 0.09 -2.49 118.33 121.67 2k5n n VAL 31 Ca -0.22 0.00 -0.01 0.00 -2.96 0.00 0.00 64.34 61.15 2k5n n VAL 31 Cb 0.56 -0.65 -0.01 0.00 -1.06 0.00 0.00 33.84 32.68 2k5n n VAL 31 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2k5n n ILE 32 N 0.60 0.12 0.69 1.55 3.06 -1.26 -4.63 119.36 119.49 2k5n n ILE 32 Ca 0.00 -0.07 0.11 0.00 -2.50 0.00 0.00 62.75 60.29 2k5n n ILE 32 Cb 0.24 -0.87 0.28 0.00 0.54 0.00 0.00 39.64 39.83 2k5n n ILE 32 CO 0.00 0.00 0.00 0.29 -2.50 0.00 0.00 176.55 174.34 2k5n n LYS 33 N -2.18 2.17 -3.42 9.51 4.76 -1.04 -4.84 118.16 123.12 2k5n n LYS 33 Ca -0.03 -1.77 -0.37 0.00 -2.87 0.00 0.00 58.31 53.26 2k5n n LYS 33 Cb 0.55 -1.45 -0.07 0.00 -1.84 0.00 0.00 35.03 32.22 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 -1.60 5.24 -0.67 -0.18 1.01 -1.25 -2.27 120.40 120.68 2k5n s VAL 34 Ca 0.36 0.74 0.26 0.00 0.00 0.00 0.00 61.98 63.33 2k5n s VAL 34 Cb 0.20 -3.72 0.29 0.00 0.00 0.00 0.00 36.38 33.15 2k5n s VAL 34 CO 0.29 0.34 1.76 0.00 0.00 0.00 0.00 175.10 177.48 2k5n h ALA 35 N 6.83 1.00 -2.21 5.51 0.00 -0.65 -3.33 119.26 126.42 2k5n h ALA 35 Ca -0.40 0.00 -0.59 0.00 0.00 0.00 0.00 54.91 53.92 2k5n h ALA 35 Cb 1.17 0.00 -0.42 0.00 0.00 0.00 0.00 17.79 18.54 2k5n h ALA 35 CO 0.75 0.00 -0.67 0.09 0.00 0.00 0.00 179.25 179.42 2k5n n ASN 36 N -2.37 3.71 0.05 0.00 4.13 -1.13 -4.88 115.26 114.77 2k5n n ASN 36 Ca 0.05 -3.48 0.11 0.00 1.68 0.00 0.00 54.58 52.95 2k5n n ASN 36 Cb 0.43 -0.62 0.46 0.00 -1.54 0.00 0.00 39.78 38.51 2k5n n ASN 36 CO 0.00 0.00 0.00 -0.81 0.28 0.00 0.00 177.26 176.73 2k5n n PRO 37 N 0.42 0.09 0.13 3.52 -0.04 -1.25 -2.31 135.00 135.57 2k5n n PRO 37 Ca 0.30 0.20 0.12 0.00 -0.04 0.00 0.00 63.50 64.07 2k5n n PRO 37 Cb 0.42 -1.64 0.17 0.00 -0.04 0.00 0.00 33.50 32.41 2k5n n PRO 37 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 2k5n h ASP 38 N 0.00 0.00 -0.06 3.54 3.58 -1.93 -3.34 116.42 118.21 2k5n h ASP 38 Ca 0.00 -0.05 0.00 0.00 0.42 0.00 0.00 57.03 57.40 2k5n h ASP 38 Cb 0.46 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.51 2k5n h ASP 38 CO 0.00 0.02 0.00 0.18 -2.88 0.00 0.00 179.24 176.56 2k5n n LEU 39 N -2.61 2.30 -4.73 2.28 4.77 -0.98 -5.02 117.00 113.00 2k5n n LEU 39 Ca 0.03 -2.27 -0.41 0.00 -0.03 0.00 0.00 56.01 53.33 2k5n n LEU 39 Cb 0.50 -0.15 -0.04 0.00 -2.33 0.00 0.00 43.42 41.40 2k5n n LEU 39 CO 0.35 0.58 0.81 -0.63 -1.33 0.00 0.00 177.39 177.18 2k5n s ILE 40 N -1.46 3.88 0.26 -0.08 1.01 -1.17 -4.97 121.20 118.67 2k5n s ILE 40 Ca 0.12 1.58 -0.21 0.00 0.00 0.00 0.00 60.65 62.13 2k5n s ILE 40 Cb 0.09 -4.01 0.03 0.00 0.01 0.00 0.00 42.46 38.58 2k5n s ILE 40 CO 0.03 0.25 0.77 -1.59 0.00 0.00 0.00 174.94 174.40 2k5n s LYS 41 N -0.16 1.71 0.23 2.79 -2.85 -1.26 -5.10 119.74 115.10 2k5n s LYS 41 Ca 0.51 -0.96 -0.30 0.00 -1.00 0.00 0.00 55.97 54.22 2k5n s LYS 41 Cb -0.29 0.58 -0.09 0.00 -2.06 0.00 0.00 37.83 35.96 2k5n s LYS 41 CO 0.34 -0.79 1.11 0.21 0.10 0.00 0.00 175.35 176.32 2k5n s LYS 42 N -3.70 4.61 -0.35 1.78 2.36 -1.26 -3.04 119.74 120.13 2k5n s LYS 42 Ca 0.12 1.78 0.00 0.00 -2.55 0.00 0.00 55.97 55.31 2k5n s LYS 42 Cb -0.05 -3.23 0.00 0.00 -1.05 0.00 0.00 37.83 33.50 2k5n s LYS 42 CO 0.06 0.13 0.00 -3.47 1.55 0.00 0.00 175.35 173.63 2k5n n ASP 43 N 1.78 -4.43 -4.78 1.43 2.03 0.71 -4.99 116.55 108.31 2k5n n ASP 43 Ca 0.01 0.08 -0.37 0.00 0.52 0.00 0.00 54.79 55.03 2k5n n ASP 43 Cb 0.45 -2.22 -0.06 0.00 -0.72 0.00 0.00 41.12 38.57 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 -1.78 3.22 0.13 -1.67 0.00 -1.17 -4.73 121.76 115.76 2k5n s ALA 44 Ca 0.00 0.59 -0.25 0.00 0.00 0.00 0.00 51.96 52.31 2k5n s ALA 44 Cb 0.00 -3.21 -0.07 0.00 0.00 0.00 0.00 23.12 19.84 2k5n s ALA 44 CO 0.00 0.09 0.76 0.00 0.00 0.00 0.00 175.76 176.60 2k5n s ALA 45 N -1.54 3.44 0.12 0.00 0.00 -1.26 -1.21 121.76 121.31 2k5n s ALA 45 Ca 0.50 0.31 -0.00 0.00 0.00 0.00 0.00 51.96 52.77 2k5n s ALA 45 Cb -0.21 -2.94 -0.04 0.00 0.00 0.00 0.00 23.12 19.93 2k5n s ALA 45 CO 0.27 0.25 0.01 0.14 0.00 0.00 0.00 175.76 176.42 2k5n s VAL 46 N -0.88 0.32 -0.04 0.00 -7.23 0.76 0.38 120.40 113.70 2k5n s VAL 46 Ca 0.36 -1.90 0.03 0.00 -1.81 0.00 0.00 61.98 58.66 2k5n s VAL 46 Cb -0.22 -1.89 0.00 0.00 0.56 0.00 0.00 36.38 34.83 2k5n s VAL 46 CO 0.25 -0.64 -0.14 0.42 -0.31 0.00 0.00 175.10 174.67 2k5n s THR 47 N -3.88 1.22 0.28 5.32 -4.23 0.51 -0.42 115.64 114.44 2k5n s THR 47 Ca 0.18 -0.58 -0.11 0.00 -1.18 0.00 0.00 61.69 60.00 2k5n s THR 47 Cb 0.07 -1.07 0.00 0.00 1.34 0.00 0.00 72.50 72.85 2k5n s THR 47 CO -0.01 0.36 0.50 0.72 -0.54 0.00 0.00 174.62 175.65 2k5n s PHE 48 N 0.21 0.48 -0.04 3.99 -0.12 -0.91 -0.06 117.98 121.54 2k5n s PHE 48 Ca -0.06 -0.84 0.02 0.00 -0.05 0.00 0.00 56.93 56.00 2k5n s PHE 48 Cb -0.12 0.19 -0.03 0.00 -0.63 0.00 0.00 43.02 42.43 2k5n s PHE 48 CO 0.02 -1.07 -0.08 -1.21 -0.05 0.00 0.00 175.22 172.83 2k5n s GLU 49 N -3.69 2.62 0.46 1.99 2.02 -0.56 -0.87 118.70 120.66 2k5n s GLU 49 Ca 0.23 -0.65 -0.04 0.00 0.02 0.00 0.00 54.97 54.54 2k5n s GLU 49 Cb -0.01 -2.51 -0.03 0.00 0.10 0.00 0.00 34.13 31.67 2k5n s GLU 49 CO 0.11 0.63 0.74 -1.25 0.02 0.00 0.00 175.26 175.52 2k5n s PRO 50 N -1.05 3.50 0.27 0.39 0.04 -1.26 -1.00 135.00 135.89 2k5n s PRO 50 Ca 0.14 0.07 -0.18 0.00 0.04 0.00 0.00 61.00 61.08 2k5n s PRO 50 Cb -0.11 -2.43 0.07 0.00 0.04 0.00 0.00 34.50 32.07 2k5n s PRO 50 CO 0.04 -0.16 0.88 -2.37 0.04 0.00 0.00 177.00 175.43 2k5n n THR 51 N -2.18 0.00 -4.12 1.26 5.66 0.02 -4.85 114.28 110.07 2k5n n THR 51 Ca -0.00 -0.73 -0.15 0.00 -3.05 0.00 0.00 64.05 60.12 2k5n n THR 51 Cb 0.55 0.84 -0.12 0.00 -1.55 0.00 0.00 70.33 70.05 2k5n n THR 51 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 2k5n s THR 52 N -2.11 0.67 0.49 1.09 2.01 -1.26 -2.03 115.64 114.50 2k5n s THR 52 Ca 0.19 -1.00 0.01 0.00 0.31 0.00 0.00 61.69 61.21 2k5n s THR 52 Cb -0.04 -0.68 -0.01 0.00 0.01 0.00 0.00 72.50 71.79 2k5n s THR 52 CO 0.08 -0.26 0.05 0.59 -0.69 0.00 0.00 174.62 174.39 2k5n n ASN 53 N 1.67 2.73 0.16 3.53 5.03 0.96 -4.89 115.26 124.44 2k5n n ASN 53 Ca -0.21 -3.29 0.02 0.00 0.87 0.00 0.00 54.58 51.98 2k5n n ASN 53 Cb 0.55 0.60 0.25 0.00 -1.02 0.00 0.00 39.78 40.16 2k5n n ASN 53 CO 0.00 0.00 0.00 -1.13 -1.83 0.00 0.00 177.26 174.30 2k5n h ASN 54 N 1.40 0.00 -0.07 6.41 -1.24 -2.01 -3.03 115.58 117.04 2k5n h ASN 54 Ca -0.40 0.00 -0.17 0.00 0.71 0.00 0.00 56.30 56.43 2k5n h ASN 54 Cb 1.30 0.00 0.01 0.00 0.73 0.00 0.00 38.32 40.36 2k5n h ASN 54 CO 0.66 0.49 -0.64 0.11 -1.29 0.00 0.00 177.43 176.77 2k5n h LYS 55 N 0.00 0.55 0.00 6.67 1.79 -2.05 -3.50 116.57 120.04 2k5n h LYS 55 Ca -0.00 -0.50 0.00 0.00 -2.18 0.00 0.00 60.65 57.96 2k5n h LYS 55 Cb 0.99 0.12 0.00 0.00 -1.58 0.00 0.00 32.23 31.76 2k5n h LYS 55 CO 0.06 1.13 0.00 0.41 -1.08 0.00 0.00 179.45 179.97 2k5n n GLY 56 N 0.85 -0.56 3.73 3.86 0.00 -1.14 -5.12 105.19 106.81 2k5n n GLY 56 Ca -0.09 -0.75 -0.41 0.00 0.00 0.00 0.00 46.02 44.77 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 0.18 0.99 1.43 -1.26 -0.03 118.68 124.44 2k5n s LEU 57 Ca 0.00 2.17 -0.05 0.00 -1.03 0.00 0.00 54.13 55.22 2k5n s LEU 57 Cb 0.00 -3.60 -0.03 0.00 0.03 0.00 0.00 46.19 42.59 2k5n s LEU 57 CO 0.00 -0.35 0.21 -0.44 0.23 0.00 0.00 176.35 175.99 2k5n s SER 58 N 0.21 0.12 0.09 2.29 0.01 -0.86 -0.70 113.70 114.86 2k5n s SER 58 Ca 0.53 -1.16 -0.06 0.00 1.31 0.00 0.00 55.95 56.57 2k5n s SER 58 Cb -0.31 0.41 -0.02 0.00 0.21 0.00 0.00 66.02 66.31 2k5n s SER 58 CO 0.35 -0.88 0.13 0.00 0.41 0.00 0.00 173.24 173.25 2k5n s ALA 59 N -4.07 0.08 0.28 1.44 0.00 -1.25 -0.80 121.76 117.44 2k5n s ALA 59 Ca 0.28 -0.87 0.03 0.00 0.00 0.00 0.00 51.96 51.39 2k5n s ALA 59 Cb 0.05 0.49 -0.03 0.00 0.00 0.00 0.00 23.12 23.63 2k5n s ALA 59 CO 0.06 -0.48 0.25 1.52 0.00 0.00 0.00 175.76 177.11 2k5n s TYR 60 N -3.90 1.42 -1.36 0.00 -0.85 -0.17 -4.91 117.35 107.58 2k5n s TYR 60 Ca 0.08 -1.49 -0.02 0.00 -0.52 0.00 0.00 57.07 55.12 2k5n s TYR 60 Cb 0.06 -0.57 0.01 0.00 0.38 0.00 0.00 41.96 41.84 2k5n s TYR 60 CO -0.09 -0.81 0.66 0.00 -1.52 0.00 0.00 175.55 173.80 2k5n n ALA 61 N -0.47 -1.93 -2.59 9.51 0.00 -0.96 -1.50 120.51 122.57 2k5n n ALA 61 Ca 0.05 -0.15 -0.43 0.00 0.00 0.00 0.00 53.44 52.91 2k5n n ALA 61 Cb 0.64 -2.12 -0.03 0.00 0.00 0.00 0.00 19.45 17.93 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 -3.69 4.46 -0.21 0.00 1.01 -1.16 -4.35 120.40 116.46 2k5n s VAL 62 Ca 0.08 1.03 -0.08 0.00 0.00 0.00 0.00 61.98 63.02 2k5n s VAL 62 Cb -0.04 -4.43 -0.04 0.00 0.00 0.00 0.00 36.38 31.87 2k5n s VAL 62 CO 0.83 -0.75 0.07 -0.54 0.00 0.00 0.00 175.10 174.72 2k5n s LYS 63 N 3.78 3.89 0.41 2.72 3.01 0.91 0.09 119.74 134.55 2k5n s LYS 63 Ca 0.40 -0.38 -0.25 0.00 -1.01 0.00 0.00 55.97 54.73 2k5n s LYS 63 Cb -0.10 -3.27 -0.08 0.00 -1.01 0.00 0.00 37.83 33.37 2k5n s LYS 63 CO 0.24 0.13 1.17 0.08 0.51 0.00 0.00 175.35 177.48 2k5n s VAL 64 N 0.78 3.13 -0.78 3.17 1.01 -1.26 -0.36 120.40 126.09 2k5n s VAL 64 Ca 0.04 0.94 -0.03 0.00 0.00 0.00 0.00 61.98 62.93 2k5n s VAL 64 Cb -0.13 -3.52 0.20 0.00 0.00 0.00 0.00 36.38 32.92 2k5n s VAL 64 CO 0.02 0.08 0.64 -0.69 0.00 0.00 0.00 175.10 175.15 2k5n s VAL 65 N -1.42 4.18 -0.01 2.92 1.01 0.16 -4.86 120.40 122.37 2k5n s VAL 65 Ca 0.58 -3.39 -0.17 0.00 0.00 0.00 0.00 61.98 58.99 2k5n s VAL 65 Cb -0.31 -3.64 -0.06 0.00 0.00 0.00 0.00 36.38 32.38 2k5n s VAL 65 CO 0.38 -1.00 0.48 -2.16 0.00 0.00 0.00 175.10 172.81 2k5n s PRO 66 N -0.71 4.14 -0.05 2.72 0.05 -1.26 -4.36 135.00 135.53 2k5n s PRO 66 Ca 0.22 0.53 0.05 0.00 0.05 0.00 0.00 61.00 61.85 2k5n s PRO 66 Cb -0.13 -3.29 0.22 0.00 0.05 0.00 0.00 34.50 31.35 2k5n s PRO 66 CO -0.08 0.51 0.93 1.28 0.05 0.00 0.00 177.00 179.68 2k5n n LEU 67 N 2.37 2.04 -0.00 -3.56 4.77 -1.26 -4.08 117.00 117.28 2k5n n LEU 67 Ca -0.11 -1.03 -0.00 0.00 -0.03 0.00 0.00 56.01 54.84 2k5n n LEU 67 Cb 0.52 -0.45 -0.00 0.00 -2.33 0.00 0.00 43.42 41.15 2k5n n LEU 67 CO 0.40 0.34 -0.03 1.21 -1.33 0.00 0.00 177.39 177.98 2k5n n GLU 68 N 0.16 0.02 -2.59 3.23 4.07 -1.26 -5.09 120.64 119.19 2k5n n GLU 68 Ca 0.08 0.01 -0.05 0.00 -0.06 0.00 0.00 57.16 57.14 2k5n n GLU 68 Cb 0.43 -0.46 0.01 0.00 -0.06 0.00 0.00 31.44 31.36 2k5n n GLU 68 CO 0.00 0.00 0.00 1.58 -0.06 0.00 0.00 177.13 178.65 2k5n n HIS 69 N -2.60 -3.05 0.00 4.31 -0.00 -1.26 -5.03 115.22 107.59 2k5n n HIS 69 Ca -0.01 1.27 0.00 0.00 -0.00 0.00 0.00 57.72 58.99 2k5n n HIS 69 Cb 0.02 -3.64 0.00 0.00 -0.00 0.00 0.00 29.99 26.37 2k5n n HIS 69 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2k5n n HIS 70 N -0.04 -0.00 -2.25 1.57 8.25 -1.26 -5.15 115.22 116.34 2k5n n HIS 70 Ca 0.07 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.50 2k5n n HIS 70 Cb 0.26 0.43 -0.02 0.00 1.12 0.00 0.00 29.99 31.78 2k5n n HIS 70 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2k5n n HIS 71 N -2.28 -3.78 -1.55 4.41 -0.00 -1.26 -5.00 115.22 105.76 2k5n n HIS 71 Ca 0.00 2.22 -0.31 0.00 0.46 0.00 0.00 57.72 60.10 2k5n n HIS 71 Cb 0.00 -3.49 0.06 0.00 -0.12 0.00 0.00 29.99 26.44 2k5n n HIS 71 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 2k5n s HIS 72 N -0.51 3.04 0.07 1.57 3.76 -1.26 -5.08 115.29 116.88 2k5n s HIS 72 Ca -0.13 1.38 0.03 0.00 -0.15 0.00 0.00 55.06 56.19 2k5n s HIS 72 Cb 0.01 -2.93 -0.03 0.00 1.11 0.00 0.00 32.58 30.74 2k5n s HIS 72 CO 0.35 -1.36 -0.09 -3.38 -0.85 0.00 0.00 174.74 169.41 2k5n s HIS 73 N -3.06 0.91 -2.73 1.40 -3.43 -1.26 -5.29 115.29 101.83 2k5n s HIS 73 Ca 0.59 -0.60 0.26 0.00 -0.80 0.00 0.00 55.06 54.51 2k5n s HIS 73 Cb -0.14 -0.52 0.65 0.00 -1.43 0.00 0.00 32.58 31.14 2k5n s HIS 73 CO 0.55 -0.04 1.52 1.58 -2.00 0.00 0.00 174.74 176.35