#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 1.80 -2.43 -5.12 0.00 -1.26 -4.47 120.51 109.02 2k5n n ALA 2 Ca 0.00 0.43 -0.23 0.00 0.00 0.00 0.00 53.44 53.64 2k5n n ALA 2 Cb 0.00 -2.40 -0.06 0.00 0.00 0.00 0.00 19.45 16.99 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 1.00 2.37 0.14 0.00 -1.94 0.33 -4.87 119.30 116.34 2k5n s MET 3 Ca 0.78 -1.63 0.08 0.00 -1.71 0.00 0.00 55.69 53.21 2k5n s MET 3 Cb -0.63 -2.17 -0.04 0.00 2.01 0.00 0.00 34.83 34.00 2k5n s MET 3 CO 0.36 -0.02 -0.08 0.54 -0.01 0.00 0.00 175.02 175.81 2k5n s ASN 4 N -3.93 4.43 0.28 3.03 4.22 -1.26 -0.66 114.94 121.05 2k5n s ASN 4 Ca 0.41 -0.45 -0.10 0.00 -2.14 0.00 0.00 52.86 50.58 2k5n s ASN 4 Cb -0.01 -0.84 -0.00 0.00 1.28 0.00 0.00 41.25 41.69 2k5n s ASN 4 CO 0.24 0.13 0.48 -0.83 -2.04 0.00 0.00 177.10 175.08 2k5n s GLY 5 N -2.56 0.83 -0.06 0.45 0.00 0.32 -2.35 107.32 103.94 2k5n s GLY 5 Ca 0.24 -1.09 0.05 0.00 0.00 0.00 0.00 44.72 43.92 2k5n s GLY 5 CO 0.15 -0.75 -0.21 -1.59 0.00 0.00 0.00 173.10 170.71 2k5n s THR 6 N -3.64 2.46 -0.37 0.90 2.01 0.86 -0.73 115.64 117.14 2k5n s THR 6 Ca 0.25 -0.92 -0.29 0.00 0.31 0.00 0.00 61.69 61.04 2k5n s THR 6 Cb -0.01 -1.93 0.02 0.00 0.01 0.00 0.00 72.50 70.59 2k5n s THR 6 CO 0.12 0.57 1.10 -0.63 -0.69 0.00 0.00 174.62 175.10 2k5n s ILE 7 N -0.29 4.41 -0.23 1.82 1.01 -0.05 -1.63 121.20 126.23 2k5n s ILE 7 Ca 0.01 1.57 -0.03 0.00 0.00 0.00 0.00 60.65 62.20 2k5n s ILE 7 Cb -0.13 -4.47 -0.13 0.00 0.01 0.00 0.00 42.46 37.74 2k5n s ILE 7 CO 0.03 -0.64 -0.24 0.35 0.00 0.00 0.00 174.94 174.44 2k5n n THR 8 N 6.18 1.30 -4.40 2.92 -2.24 -1.10 -1.73 114.28 115.20 2k5n n THR 8 Ca 0.12 -0.44 -0.27 0.00 -2.27 0.00 0.00 64.05 61.19 2k5n n THR 8 Cb 0.48 -1.47 -0.17 0.00 -2.10 0.00 0.00 70.33 67.07 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 -2.45 1.29 -0.09 4.28 2.01 -0.92 -4.83 115.64 114.93 2k5n s THR 9 Ca -0.31 -0.52 -0.04 0.00 0.31 0.00 0.00 61.69 61.12 2k5n s THR 9 Cb 0.09 -1.20 0.05 0.00 0.01 0.00 0.00 72.50 71.45 2k5n s THR 9 CO 0.49 0.40 0.20 0.86 -0.69 0.00 0.00 174.62 175.88 2k5n s TRP 10 N 1.01 -0.27 -0.36 4.92 -0.11 -1.26 0.23 118.94 123.10 2k5n s TRP 10 Ca -0.07 0.68 0.03 0.00 1.22 0.00 0.00 56.10 57.96 2k5n s TRP 10 Cb -0.15 -0.04 0.11 0.00 -1.50 0.00 0.00 33.47 31.89 2k5n s TRP 10 CO -0.01 -0.23 0.10 -0.06 -4.62 0.00 0.00 176.95 172.13 2k5n s PHE 11 N 1.44 3.23 0.25 5.86 0.08 -0.48 -4.94 117.98 123.42 2k5n s PHE 11 Ca -0.07 -2.78 -0.03 0.00 0.12 0.00 0.00 56.93 54.17 2k5n s PHE 11 Cb -0.11 -2.65 0.29 0.00 -0.57 0.00 0.00 43.02 39.98 2k5n s PHE 11 CO -0.07 -0.90 1.73 -0.22 -0.10 0.00 0.00 175.22 175.65 2k5n h LYS 12 N 7.50 0.81 -0.91 0.44 1.63 -1.96 0.43 116.57 124.51 2k5n h LYS 12 Ca -0.06 -0.24 0.24 0.00 -0.85 0.00 0.00 60.65 59.74 2k5n h LYS 12 Cb 1.00 -0.08 -0.13 0.00 -0.60 0.00 0.00 32.23 32.41 2k5n h LYS 12 CO 0.53 0.84 0.39 0.22 -3.45 0.00 0.00 179.45 177.98 2k5n h ASP 13 N 0.75 0.29 0.00 4.20 3.58 -1.95 -3.18 116.42 120.12 2k5n h ASP 13 Ca 0.14 0.17 -0.37 0.00 0.42 0.00 0.00 57.03 57.39 2k5n h ASP 13 Cb 0.51 0.16 -0.05 0.00 1.72 0.00 0.00 39.33 41.66 2k5n h ASP 13 CO 0.03 -0.05 -2.01 1.17 -2.88 0.00 0.00 179.24 175.49 2k5n n LYS 14 N -5.08 0.58 0.00 0.28 3.00 -0.96 -5.02 118.16 110.96 2k5n n LYS 14 Ca 0.24 0.39 0.00 0.00 -0.00 0.00 0.00 58.31 58.94 2k5n n LYS 14 Cb 0.71 -1.60 0.00 0.00 0.00 0.00 0.00 35.03 34.14 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 1.34 1.39 3.42 3.14 0.00 0.15 -5.02 105.19 109.60 2k5n n GLY 15 Ca -0.45 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.36 2k5n n GLY 15 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2k5n s PHE 16 N -2.00 1.94 0.14 1.61 0.08 -1.15 -0.15 117.98 118.45 2k5n s PHE 16 Ca 0.00 -0.69 -0.25 0.00 0.12 0.00 0.00 56.93 56.11 2k5n s PHE 16 Cb 0.00 -1.09 0.07 0.00 -0.57 0.00 0.00 43.02 41.43 2k5n s PHE 16 CO 0.00 0.29 0.99 0.20 -0.10 0.00 0.00 175.22 176.60 2k5n s GLY 17 N -3.43 -0.22 -0.05 4.36 0.00 -1.04 -1.38 107.32 105.55 2k5n s GLY 17 Ca 0.29 0.13 0.01 0.00 0.00 0.00 0.00 44.72 45.16 2k5n s GLY 17 CO 0.12 0.12 -0.06 -1.36 0.00 0.00 0.00 173.10 171.91 2k5n s PHE 18 N -3.16 0.94 -0.06 1.90 0.08 0.14 -1.08 117.98 116.73 2k5n s PHE 18 Ca 0.13 -0.30 0.02 0.00 0.12 0.00 0.00 56.93 56.90 2k5n s PHE 18 Cb -0.01 -0.79 0.01 0.00 -0.57 0.00 0.00 43.02 41.67 2k5n s PHE 18 CO 0.02 -0.23 -0.13 0.42 -0.10 0.00 0.00 175.22 175.21 2k5n s ILE 19 N 0.92 1.16 -0.20 0.64 1.01 -1.07 -2.16 121.20 121.48 2k5n s ILE 19 Ca -0.11 -0.50 -0.21 0.00 0.00 0.00 0.00 60.65 59.84 2k5n s ILE 19 Cb -0.15 -1.05 -0.02 0.00 0.01 0.00 0.00 42.46 41.25 2k5n s ILE 19 CO 0.01 0.36 0.62 -0.54 0.00 0.00 0.00 174.94 175.39 2k5n s LYS 20 N 0.63 4.20 0.69 2.79 -0.14 -0.65 -0.73 119.74 126.53 2k5n s LYS 20 Ca -0.14 0.60 -0.02 0.00 -1.36 0.00 0.00 55.97 55.05 2k5n s LYS 20 Cb -0.16 -3.59 0.10 0.00 -1.68 0.00 0.00 37.83 32.51 2k5n s LYS 20 CO 0.04 -0.26 0.96 0.16 -0.76 0.00 0.00 175.35 175.49 2k5n s ASP 21 N 1.23 4.55 -0.28 2.83 1.47 -0.69 -0.10 116.67 125.68 2k5n s ASP 21 Ca 0.28 -0.18 0.07 0.00 1.18 0.00 0.00 52.55 53.91 2k5n s ASP 21 Cb -0.16 -0.32 0.62 0.00 -0.34 0.00 0.00 42.92 42.72 2k5n s ASP 21 CO 0.10 -1.71 1.65 -0.62 0.68 0.00 0.00 175.17 175.27 2k5n n GLU 22 N -2.77 3.15 -0.02 2.11 1.02 -0.99 -4.26 120.64 118.88 2k5n n GLU 22 Ca 0.13 -2.55 -0.04 0.00 -0.02 0.00 0.00 57.16 54.68 2k5n n GLU 22 Cb 0.60 -2.06 -0.01 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 -0.17 0.63 0.00 1.62 5.15 -1.26 -5.07 115.26 116.17 2k5n n ASN 23 Ca 0.36 0.04 0.00 0.00 -0.60 0.00 0.00 54.58 54.38 2k5n n ASN 23 Cb 1.26 -0.10 0.00 0.00 -0.53 0.00 0.00 39.78 40.41 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 2.85 -0.46 0.00 8.20 0.00 -1.26 -5.18 105.19 109.34 2k5n n GLY 24 Ca -0.07 0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 -2.34 0.00 -4.87 1.61 -0.08 -1.26 -4.94 116.55 104.67 2k5n n ASP 25 Ca 0.00 0.00 -0.31 0.00 -1.51 0.00 0.00 54.79 52.97 2k5n n ASP 25 Cb 0.00 0.00 -0.04 0.00 2.34 0.00 0.00 41.12 43.42 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 1.82 6.58 0.07 1.67 2.20 -1.26 -1.70 114.94 124.32 2k5n s ASN 26 Ca 0.00 1.05 0.08 0.00 -0.94 0.00 0.00 52.86 53.05 2k5n s ASN 26 Cb 0.00 -2.28 -0.03 0.00 -2.00 0.00 0.00 41.25 36.94 2k5n s ASN 26 CO 0.00 -0.27 -0.21 -0.13 -2.94 0.00 0.00 177.10 173.56 2k5n s ARG 27 N -3.44 1.27 -0.38 3.55 0.52 0.09 -4.43 118.95 116.14 2k5n s ARG 27 Ca 0.50 -1.06 -0.24 0.00 -0.52 0.00 0.00 55.73 54.42 2k5n s ARG 27 Cb -0.10 -1.46 0.01 0.00 0.52 0.00 0.00 34.95 33.91 2k5n s ARG 27 CO 0.26 0.36 0.81 -0.47 0.02 0.00 0.00 175.30 176.28 2k5n s TYR 28 N -0.98 3.09 0.08 -0.53 5.04 0.39 -2.60 117.35 121.85 2k5n s TYR 28 Ca 0.07 0.54 0.03 0.00 -2.44 0.00 0.00 57.07 55.27 2k5n s TYR 28 Cb -0.09 -3.48 -0.04 0.00 0.35 0.00 0.00 41.96 38.70 2k5n s TYR 28 CO 0.03 -0.78 0.08 -0.06 -1.34 0.00 0.00 175.55 173.48 2k5n s PHE 29 N 3.19 3.19 -0.06 4.97 0.40 -0.24 -4.28 117.98 125.14 2k5n s PHE 29 Ca 0.32 0.07 0.02 0.00 -0.60 0.00 0.00 56.93 56.75 2k5n s PHE 29 Cb -0.13 -1.62 0.01 0.00 0.51 0.00 0.00 43.02 41.80 2k5n s PHE 29 CO 0.18 0.52 -0.13 -1.58 0.70 0.00 0.00 175.22 174.91 2k5n s HIS 30 N -1.40 1.48 0.50 0.36 2.46 -1.26 -2.48 115.29 114.95 2k5n s HIS 30 Ca 0.29 -0.53 0.33 0.00 0.47 0.00 0.00 55.06 55.62 2k5n s HIS 30 Cb -0.12 -1.08 1.45 0.00 -0.13 0.00 0.00 32.58 32.71 2k5n s HIS 30 CO 0.22 -0.26 1.77 -0.24 -2.47 0.00 0.00 174.74 173.75 2k5n h VAL 31 N 5.89 0.38 0.00 0.89 3.04 -0.92 0.91 116.25 126.44 2k5n h VAL 31 Ca -0.31 -0.03 -0.02 0.00 -1.01 0.00 0.00 66.70 65.33 2k5n h VAL 31 Cb 1.19 0.28 -0.00 0.00 -2.01 0.00 0.00 31.29 30.74 2k5n h VAL 31 CO 0.47 0.02 -0.11 -0.29 -1.01 0.00 0.00 177.57 176.65 2k5n h ILE 32 N 0.10 0.22 -0.07 3.17 2.10 -1.96 -2.71 117.51 118.36 2k5n h ILE 32 Ca 0.62 -1.03 0.00 0.00 1.08 0.00 0.00 64.86 65.53 2k5n h ILE 32 Cb 2.22 1.86 0.00 0.00 -1.09 0.00 0.00 36.82 39.81 2k5n h ILE 32 CO -0.11 0.11 0.00 0.29 -1.08 0.00 0.00 178.15 177.36 2k5n n LYS 33 N -3.17 1.78 -3.71 2.19 4.76 0.31 -4.86 118.16 115.47 2k5n n LYS 33 Ca 0.02 -1.15 -0.36 0.00 -2.87 0.00 0.00 58.31 53.95 2k5n n LYS 33 Cb 0.47 -1.46 -0.06 0.00 -1.84 0.00 0.00 35.03 32.14 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 -1.93 5.26 -0.02 -0.18 1.01 -1.02 -2.33 120.40 121.18 2k5n s VAL 34 Ca 0.36 0.34 -0.19 0.00 0.00 0.00 0.00 61.98 62.48 2k5n s VAL 34 Cb 0.20 -3.58 -0.33 0.00 0.00 0.00 0.00 36.38 32.68 2k5n s VAL 34 CO 0.31 0.43 0.92 0.00 0.00 0.00 0.00 175.10 176.77 2k5n h ALA 35 N 4.23 -0.11 -2.51 5.51 0.00 -1.00 -3.40 119.26 121.99 2k5n h ALA 35 Ca -0.51 -0.77 -0.60 0.00 0.00 0.00 0.00 54.91 53.03 2k5n h ALA 35 Cb 1.21 0.15 -0.41 0.00 0.00 0.00 0.00 17.79 18.73 2k5n h ALA 35 CO 0.64 0.51 -0.75 0.27 0.00 0.00 0.00 179.25 179.92 2k5n n ASN 36 N -3.96 1.99 0.15 0.00 6.94 -1.23 -4.95 115.26 114.19 2k5n n ASN 36 Ca -0.15 -3.01 0.12 0.00 -0.02 0.00 0.00 54.58 51.52 2k5n n ASN 36 Cb 0.93 -0.67 0.27 0.00 -2.36 0.00 0.00 39.78 37.95 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 4.88 0.00 -0.00 -0.53 0.13 -1.86 -3.11 132.00 131.51 2k5n h PRO 37 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 2k5n h PRO 37 Cb 0.78 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.91 2k5n h PRO 37 CO 0.63 0.00 -0.43 -3.47 -0.23 0.00 0.00 178.00 174.50 2k5n n ASP 38 N -2.63 0.62 -0.82 1.44 2.03 -1.26 -3.11 116.55 112.82 2k5n n ASP 38 Ca 0.04 -0.40 0.12 0.00 0.52 0.00 0.00 54.79 55.08 2k5n n ASP 38 Cb 0.48 0.21 0.27 0.00 -0.72 0.00 0.00 41.12 41.36 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 -1.29 2.52 -4.70 -2.67 4.77 -1.18 -4.92 117.00 109.53 2k5n n LEU 39 Ca 0.07 -0.91 -0.42 0.00 -0.03 0.00 0.00 56.01 54.72 2k5n n LEU 39 Cb 0.34 -0.05 -0.03 0.00 -2.33 0.00 0.00 43.42 41.35 2k5n n LEU 39 CO 0.33 0.45 1.14 -0.63 -1.33 0.00 0.00 177.39 177.35 2k5n s ILE 40 N -1.90 3.32 0.24 -0.08 1.01 -1.18 -4.83 121.20 117.78 2k5n s ILE 40 Ca 0.33 0.86 0.11 0.00 0.00 0.00 0.00 60.65 61.95 2k5n s ILE 40 Cb 0.20 -3.55 -0.05 0.00 0.01 0.00 0.00 42.46 39.08 2k5n s ILE 40 CO 0.31 0.03 -0.21 -0.54 0.00 0.00 0.00 174.94 174.54 2k5n s LYS 41 N 1.76 1.56 0.22 2.79 1.02 -1.26 -5.10 119.74 120.73 2k5n s LYS 41 Ca 0.66 -1.64 -0.29 0.00 0.02 0.00 0.00 55.97 54.72 2k5n s LYS 41 Cb -0.36 -1.69 -0.09 0.00 -0.52 0.00 0.00 37.83 35.17 2k5n s LYS 41 CO 0.30 0.33 0.90 0.21 -0.92 0.00 0.00 175.35 176.17 2k5n s LYS 42 N -3.19 4.78 -0.90 1.68 2.20 -1.26 -3.70 119.74 119.36 2k5n s LYS 42 Ca 0.25 1.41 -0.03 0.00 -0.36 0.00 0.00 55.97 57.24 2k5n s LYS 42 Cb -0.06 -3.28 -0.04 0.00 -1.51 0.00 0.00 37.83 32.94 2k5n s LYS 42 CO 0.12 0.51 0.77 -3.47 -0.36 0.00 0.00 175.35 172.92 2k5n n ASP 43 N 1.60 -4.49 -4.15 1.43 2.03 -0.70 -5.04 116.55 107.22 2k5n n ASP 43 Ca -0.03 -0.55 -0.10 0.00 0.52 0.00 0.00 54.79 54.63 2k5n n ASP 43 Cb 0.48 -4.33 -0.10 0.00 -0.72 0.00 0.00 41.12 36.45 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 -3.31 0.85 -0.11 -1.67 0.00 -1.24 -4.96 121.76 111.32 2k5n s ALA 44 Ca 0.24 -1.36 -0.05 0.00 0.00 0.00 0.00 51.96 50.79 2k5n s ALA 44 Cb -0.03 0.38 -0.04 0.00 0.00 0.00 0.00 23.12 23.43 2k5n s ALA 44 CO 0.60 -0.34 0.10 0.00 0.00 0.00 0.00 175.76 176.12 2k5n s ALA 45 N -3.81 3.71 0.14 0.00 0.00 -1.26 -0.87 121.76 119.67 2k5n s ALA 45 Ca 0.14 -0.69 0.02 0.00 0.00 0.00 0.00 51.96 51.43 2k5n s ALA 45 Cb 0.07 -1.83 -0.04 0.00 0.00 0.00 0.00 23.12 21.31 2k5n s ALA 45 CO -0.04 0.61 -0.04 0.14 0.00 0.00 0.00 175.76 176.43 2k5n s VAL 46 N -0.99 0.74 -0.01 0.00 -7.23 0.09 -0.93 120.40 112.06 2k5n s VAL 46 Ca 0.15 -1.97 0.05 0.00 -1.81 0.00 0.00 61.98 58.40 2k5n s VAL 46 Cb -0.12 -1.91 -0.01 0.00 0.56 0.00 0.00 36.38 34.90 2k5n s VAL 46 CO 0.04 -0.67 -0.16 0.42 -0.31 0.00 0.00 175.10 174.42 2k5n s THR 47 N -3.61 1.28 0.27 5.32 -4.23 0.35 -0.53 115.64 114.50 2k5n s THR 47 Ca 0.18 -0.69 -0.17 0.00 -1.18 0.00 0.00 61.69 59.83 2k5n s THR 47 Cb 0.05 -1.07 0.01 0.00 1.34 0.00 0.00 72.50 72.84 2k5n s THR 47 CO -0.00 0.36 0.62 0.72 -0.54 0.00 0.00 174.62 175.78 2k5n s PHE 48 N -0.37 0.07 0.19 3.99 -0.12 0.17 -0.18 117.98 121.74 2k5n s PHE 48 Ca 0.06 -0.50 -0.22 0.00 -0.05 0.00 0.00 56.93 56.22 2k5n s PHE 48 Cb -0.06 0.49 -0.08 0.00 -0.63 0.00 0.00 43.02 42.74 2k5n s PHE 48 CO -0.01 -1.16 0.73 -1.21 -0.05 0.00 0.00 175.22 173.53 2k5n s GLU 49 N -3.86 4.36 0.10 1.99 0.41 -0.12 -0.51 118.70 121.07 2k5n s GLU 49 Ca 0.16 0.96 -0.30 0.00 -0.41 0.00 0.00 54.97 55.38 2k5n s GLU 49 Cb -0.04 -3.04 -0.06 0.00 -1.78 0.00 0.00 34.13 29.22 2k5n s GLU 49 CO 0.08 0.48 1.00 -2.14 -0.49 0.00 0.00 175.26 174.19 2k5n s PRO 50 N -1.62 4.65 -0.09 0.39 0.02 -1.26 -3.18 135.00 133.91 2k5n s PRO 50 Ca 0.39 1.51 -0.30 0.00 0.02 0.00 0.00 61.00 62.62 2k5n s PRO 50 Cb -0.19 -3.37 0.11 0.00 0.02 0.00 0.00 34.50 31.07 2k5n s PRO 50 CO 0.23 0.13 0.88 -0.08 -0.33 0.00 0.00 177.00 177.83 2k5n s THR 51 N 0.15 0.00 0.04 0.99 -1.32 -1.09 -4.95 115.64 109.46 2k5n s THR 51 Ca 0.49 0.00 0.05 0.00 -1.21 0.00 0.00 61.69 61.02 2k5n s THR 51 Cb -0.24 -1.00 -0.02 0.00 -1.51 0.00 0.00 72.50 69.72 2k5n s THR 51 CO 0.30 0.00 -0.15 -0.89 -2.21 0.00 0.00 174.62 171.68 2k5n s THR 52 N -1.57 1.17 -0.00 5.08 2.01 -1.26 -0.78 115.64 120.28 2k5n s THR 52 Ca -0.03 -1.04 -0.00 0.00 0.31 0.00 0.00 61.69 60.93 2k5n s THR 52 Cb -0.00 -1.06 -0.00 0.00 0.01 0.00 0.00 72.50 71.45 2k5n s THR 52 CO 0.01 0.01 -0.00 0.59 -0.69 0.00 0.00 174.62 174.54 2k5n n ASN 53 N 1.85 0.03 0.03 3.53 5.03 -1.19 -4.95 115.26 119.58 2k5n n ASN 53 Ca -0.18 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.27 2k5n n ASN 53 Cb 0.54 -0.43 0.00 0.00 -1.02 0.00 0.00 39.78 38.88 2k5n n ASN 53 CO 0.00 0.00 0.00 -3.20 -1.83 0.00 0.00 177.26 172.23 2k5n n ASN 54 N -2.53 -0.49 -0.93 6.41 2.85 -1.26 -4.95 115.26 114.36 2k5n n ASN 54 Ca -0.00 0.28 0.03 0.00 -0.11 0.00 0.00 54.58 54.78 2k5n n ASN 54 Cb 0.01 0.69 0.15 0.00 1.24 0.00 0.00 39.78 41.87 2k5n n ASN 54 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 2k5n n LYS 55 N -2.58 2.34 0.00 1.20 5.02 -1.26 -4.93 118.16 117.95 2k5n n LYS 55 Ca 0.00 -1.19 0.00 0.00 -2.02 0.00 0.00 58.31 55.10 2k5n n LYS 55 Cb 0.00 -1.67 0.00 0.00 -0.02 0.00 0.00 35.03 33.34 2k5n n LYS 55 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2k5n n GLY 56 N 0.41 1.90 3.81 0.72 0.00 -1.26 -5.09 105.19 105.68 2k5n n GLY 56 Ca 0.11 -1.31 -0.32 0.00 0.00 0.00 0.00 46.02 44.49 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 3.42 0.22 0.99 1.43 -1.26 -3.17 118.68 120.31 2k5n s LEU 57 Ca 0.00 1.75 -0.09 0.00 -1.03 0.00 0.00 54.13 54.76 2k5n s LEU 57 Cb 0.00 -4.52 -0.01 0.00 0.03 0.00 0.00 46.19 41.68 2k5n s LEU 57 CO 0.00 -1.19 0.35 -0.94 0.23 0.00 0.00 176.35 174.81 2k5n s SER 58 N -3.05 -0.01 -0.09 2.29 1.04 0.04 -0.46 113.70 113.47 2k5n s SER 58 Ca 0.62 -1.04 -0.12 0.00 0.48 0.00 0.00 55.95 55.89 2k5n s SER 58 Cb -0.15 0.51 0.03 0.00 0.10 0.00 0.00 66.02 66.50 2k5n s SER 58 CO 0.41 -1.02 0.31 0.00 0.98 0.00 0.00 173.24 173.92 2k5n s ALA 59 N -4.05 -0.77 0.37 5.32 0.00 -1.26 -2.67 121.76 118.70 2k5n s ALA 59 Ca 0.26 0.70 0.07 0.00 0.00 0.00 0.00 51.96 52.99 2k5n s ALA 59 Cb 0.02 -0.34 -0.07 0.00 0.00 0.00 0.00 23.12 22.73 2k5n s ALA 59 CO 0.08 -0.18 -0.01 0.71 0.00 0.00 0.00 175.76 176.36 2k5n s TYR 60 N -0.30 2.34 -1.46 0.00 2.02 -1.19 -4.78 117.35 113.98 2k5n s TYR 60 Ca -0.04 -0.69 -0.08 0.00 -0.37 0.00 0.00 57.07 55.88 2k5n s TYR 60 Cb -0.03 -1.54 0.03 0.00 -0.40 0.00 0.00 41.96 40.01 2k5n s TYR 60 CO 0.02 0.38 0.90 0.00 -1.57 0.00 0.00 175.55 175.27 2k5n n ALA 61 N -0.84 -1.17 -2.02 3.71 0.00 -0.98 -0.95 120.51 118.25 2k5n n ALA 61 Ca -0.05 0.31 -0.43 0.00 0.00 0.00 0.00 53.44 53.28 2k5n n ALA 61 Cb 0.66 -4.59 -0.03 0.00 0.00 0.00 0.00 19.45 15.49 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 -3.24 3.56 -0.22 0.00 1.01 -1.14 -4.53 120.40 115.85 2k5n s VAL 62 Ca 0.49 0.63 -0.01 0.00 0.00 0.00 0.00 61.98 63.09 2k5n s VAL 62 Cb -0.23 -3.58 0.02 0.00 0.00 0.00 0.00 36.38 32.59 2k5n s VAL 62 CO 0.61 -0.24 -0.10 -0.54 0.00 0.00 0.00 175.10 174.82 2k5n s LYS 63 N 4.83 3.01 0.37 2.72 1.02 0.75 -0.37 119.74 132.08 2k5n s LYS 63 Ca 0.76 -0.85 -0.24 0.00 0.02 0.00 0.00 55.97 55.67 2k5n s LYS 63 Cb -0.27 -2.86 -0.10 0.00 -0.52 0.00 0.00 37.83 34.07 2k5n s LYS 63 CO 0.31 -0.29 0.95 0.08 -0.92 0.00 0.00 175.35 175.48 2k5n s VAL 64 N 1.35 4.29 -0.74 3.17 1.01 -1.26 -0.50 120.40 127.72 2k5n s VAL 64 Ca 0.03 1.67 -0.03 0.00 0.00 0.00 0.00 61.98 63.65 2k5n s VAL 64 Cb -0.15 -3.82 0.19 0.00 0.00 0.00 0.00 36.38 32.59 2k5n s VAL 64 CO -0.07 -0.07 0.58 -0.69 0.00 0.00 0.00 175.10 174.86 2k5n s VAL 65 N -1.87 4.00 -0.03 2.92 1.01 -0.11 -4.93 120.40 121.40 2k5n s VAL 65 Ca 0.56 -3.34 -0.24 0.00 0.00 0.00 0.00 61.98 58.95 2k5n s VAL 65 Cb -0.14 -3.55 -0.04 0.00 0.00 0.00 0.00 36.38 32.65 2k5n s VAL 65 CO 0.19 -0.97 0.74 -2.16 0.00 0.00 0.00 175.10 172.90 2k5n s PRO 66 N -0.60 4.46 -1.34 2.72 0.05 -1.26 -4.43 135.00 134.60 2k5n s PRO 66 Ca 0.21 0.98 -0.11 0.00 0.05 0.00 0.00 61.00 62.13 2k5n s PRO 66 Cb -0.14 -3.42 0.12 0.00 0.05 0.00 0.00 34.50 31.10 2k5n s PRO 66 CO -0.07 0.12 1.98 1.47 0.05 0.00 0.00 177.00 180.55 2k5n n LEU 67 N 3.51 6.65 -4.10 -3.56 -0.00 -1.26 -4.89 117.00 113.35 2k5n n LEU 67 Ca -0.01 -4.45 -0.25 0.00 -0.00 0.00 0.00 56.01 51.29 2k5n n LEU 67 Cb 0.51 -1.55 -0.16 0.00 -0.00 0.00 0.00 43.42 42.22 2k5n n LEU 67 CO 0.47 1.24 -0.49 -0.70 -0.00 0.00 0.00 177.39 177.92 2k5n s GLU 68 N 1.46 1.73 -0.21 1.47 2.12 -1.26 -5.13 118.70 118.87 2k5n s GLU 68 Ca 0.42 -0.55 -0.14 0.00 0.36 0.00 0.00 54.97 55.07 2k5n s GLU 68 Cb 0.11 -1.48 -0.04 0.00 0.26 0.00 0.00 34.13 32.97 2k5n s GLU 68 CO -0.03 0.18 0.30 -1.01 -0.54 0.00 0.00 175.26 174.16 2k5n s HIS 69 N 0.20 3.36 -1.45 5.30 3.76 -1.26 -4.99 115.29 120.21 2k5n s HIS 69 Ca -0.07 0.46 -0.14 0.00 -0.15 0.00 0.00 55.06 55.16 2k5n s HIS 69 Cb -0.12 -2.41 0.05 0.00 1.11 0.00 0.00 32.58 31.20 2k5n s HIS 69 CO 0.03 0.04 2.21 1.58 -0.85 0.00 0.00 174.74 177.74 2k5n n HIS 70 N 4.34 3.54 -3.83 1.40 -0.00 -1.26 -4.85 115.22 114.57 2k5n n HIS 70 Ca -0.11 -2.97 -0.15 0.00 0.46 0.00 0.00 57.72 54.95 2k5n n HIS 70 Cb 0.51 -2.54 -0.16 0.00 -0.12 0.00 0.00 29.99 27.69 2k5n n HIS 70 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 2k5n s HIS 71 N 3.12 0.11 0.10 1.57 5.65 -1.26 -5.12 115.29 119.46 2k5n s HIS 71 Ca 0.47 0.08 -0.34 0.00 0.25 0.00 0.00 55.06 55.52 2k5n s HIS 71 Cb 0.14 -0.26 -0.14 0.00 -1.18 0.00 0.00 32.58 31.14 2k5n s HIS 71 CO -0.08 -0.09 1.63 0.72 -0.65 0.00 0.00 174.74 176.26 2k5n n HIS 72 N 4.07 2.24 0.38 3.88 8.25 -1.26 -4.85 115.22 127.93 2k5n n HIS 72 Ca -0.26 0.24 0.07 0.00 -0.26 0.00 0.00 57.72 57.50 2k5n n HIS 72 Cb 0.51 -2.55 -0.09 0.00 1.12 0.00 0.00 29.99 28.98 2k5n n HIS 72 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2k5n n HIS 73 N 4.05 0.00 -1.87 4.41 8.25 -1.26 -5.25 115.22 123.55 2k5n n HIS 73 Ca 0.18 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.64 2k5n n HIS 73 Cb 0.28 -0.13 0.00 0.00 1.12 0.00 0.00 29.99 31.26 2k5n n HIS 73 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56