#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ak4 s GLN 2 N 0.00 3.09 -0.09 0.38 -0.21 -1.26 -4.79 119.66 116.78 2ak4 s GLN 2 Ca 0.00 -0.82 0.01 0.00 0.02 0.00 0.00 55.36 54.57 2ak4 s GLN 2 Cb 0.00 -2.49 -0.02 0.00 1.00 0.00 0.00 33.01 31.50 2ak4 s GLN 2 CO 0.00 0.02 -0.11 1.03 -2.12 0.00 0.00 175.29 174.11 2ak4 s ARG 3 N 0.76 2.98 0.15 2.91 0.52 -0.23 -4.94 118.95 121.10 2ak4 s ARG 3 Ca -0.08 -0.64 -0.23 0.00 -0.52 0.00 0.00 55.73 54.26 2ak4 s ARG 3 Cb -0.16 -2.57 -0.08 0.00 0.52 0.00 0.00 34.95 32.67 2ak4 s ARG 3 CO -0.00 0.45 0.73 -0.08 0.02 0.00 0.00 175.30 176.42 2ak4 s THR 4 N -0.26 4.46 0.29 0.02 -1.32 -1.26 -1.74 115.64 115.83 2ak4 s THR 4 Ca 0.02 1.56 -0.29 0.00 -1.21 0.00 0.00 61.69 61.77 2ak4 s THR 4 Cb -0.13 -4.06 -0.10 0.00 -1.51 0.00 0.00 72.50 66.71 2ak4 s THR 4 CO 0.03 0.49 1.25 -2.16 -2.21 0.00 0.00 174.62 172.02 2ak4 s PRO 5 N -1.24 4.45 0.20 7.08 0.04 -1.26 -4.37 135.00 139.90 2ak4 s PRO 5 Ca 0.35 2.06 -0.25 0.00 0.04 0.00 0.00 61.00 63.20 2ak4 s PRO 5 Cb -0.22 -3.13 -0.08 0.00 0.04 0.00 0.00 34.50 31.11 2ak4 s PRO 5 CO 0.24 -0.09 0.81 0.15 0.04 0.00 0.00 177.00 178.16 2ak4 s LYS 6 N -1.31 4.57 -0.08 4.56 -0.14 0.83 -4.91 119.74 123.26 2ak4 s LYS 6 Ca 0.49 1.19 0.04 0.00 -1.36 0.00 0.00 55.97 56.33 2ak4 s LYS 6 Cb -0.37 -3.15 -0.00 0.00 -1.68 0.00 0.00 37.83 32.63 2ak4 s LYS 6 CO 0.46 0.50 -0.22 0.42 -0.76 0.00 0.00 175.35 175.76 2ak4 s ILE 7 N -1.27 1.85 -0.07 2.17 -1.09 -1.26 -2.07 121.20 119.46 2ak4 s ILE 7 Ca 0.39 -0.92 0.02 0.00 -2.23 0.00 0.00 60.65 57.92 2ak4 s ILE 7 Cb -0.22 -1.59 0.01 0.00 -1.58 0.00 0.00 42.46 39.08 2ak4 s ILE 7 CO 0.26 0.51 -0.14 -1.10 -1.23 0.00 0.00 174.94 173.25 2ak4 s GLN 8 N 0.22 1.89 -0.16 2.79 -0.21 -0.28 -4.99 119.66 118.91 2ak4 s GLN 8 Ca -0.13 -0.47 -0.01 0.00 0.02 0.00 0.00 55.36 54.77 2ak4 s GLN 8 Cb -0.16 -1.54 -0.01 0.00 1.00 0.00 0.00 33.01 32.30 2ak4 s GLN 8 CO 0.06 0.03 -0.12 0.08 -2.12 0.00 0.00 175.29 173.23 2ak4 s VAL 9 N 0.67 2.98 0.23 1.09 1.01 -1.26 -0.56 120.40 124.56 2ak4 s VAL 9 Ca -0.14 -0.66 -0.22 0.00 0.00 0.00 0.00 61.98 60.96 2ak4 s VAL 9 Cb -0.16 -2.28 0.05 0.00 0.00 0.00 0.00 36.38 33.99 2ak4 s VAL 9 CO 0.04 0.50 0.87 -0.72 0.00 0.00 0.00 175.10 175.78 2ak4 s TYR 10 N 0.80 -0.09 0.18 5.22 1.13 -0.91 -4.59 117.35 119.09 2ak4 s TYR 10 Ca -0.04 -0.33 0.06 0.00 -1.41 0.00 0.00 57.07 55.36 2ak4 s TYR 10 Cb -0.15 0.70 -0.04 0.00 -1.10 0.00 0.00 41.96 41.37 2ak4 s TYR 10 CO 0.01 -1.08 0.07 -1.54 -2.51 0.00 0.00 175.55 170.50 2ak4 s SER 11 N -3.00 5.11 0.23 -0.18 1.04 -1.26 0.23 113.70 115.88 2ak4 s SER 11 Ca 0.13 -0.29 -0.07 0.00 0.48 0.00 0.00 55.95 56.21 2ak4 s SER 11 Cb -0.04 -1.21 0.22 0.00 0.10 0.00 0.00 66.02 65.10 2ak4 s SER 11 CO 0.05 0.07 1.87 -0.09 0.98 0.00 0.00 173.24 176.13 2ak4 h ARG 12 N 2.47 1.27 -5.90 4.02 2.43 -1.63 -3.44 114.38 113.60 2ak4 h ARG 12 Ca -0.47 -0.13 -0.52 0.00 -0.81 0.00 0.00 59.98 58.05 2ak4 h ARG 12 Cb 1.21 -0.26 -0.16 0.00 -0.42 0.00 0.00 29.97 30.33 2ak4 h ARG 12 CO 0.60 0.90 -0.77 -1.01 -1.51 0.00 0.00 179.97 178.19 2ak4 s HIS 13 N -5.91 1.88 0.07 2.20 3.76 -1.26 -5.04 115.29 110.98 2ak4 s HIS 13 Ca -0.13 -0.47 -0.36 0.00 -0.15 0.00 0.00 55.06 53.95 2ak4 s HIS 13 Cb 0.17 -0.90 -0.15 0.00 1.11 0.00 0.00 32.58 32.81 2ak4 s HIS 13 CO 0.83 0.40 1.50 -2.30 -0.85 0.00 0.00 174.74 174.32 2ak4 n PRO 14 N -0.03 1.57 -1.76 8.40 -0.02 -1.26 -4.84 135.00 137.06 2ak4 n PRO 14 Ca -0.10 0.57 -0.41 0.00 -2.02 0.00 0.00 63.50 61.53 2ak4 n PRO 14 Cb 0.58 -2.27 -0.01 0.00 -0.02 0.00 0.00 33.50 31.78 2ak4 n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2ak4 n ALA 15 N 3.39 2.52 -3.60 3.55 0.00 -1.26 -5.01 120.51 120.10 2ak4 n ALA 15 Ca 0.19 0.36 -0.21 0.00 0.00 0.00 0.00 53.44 53.78 2ak4 n ALA 15 Cb 0.23 -2.45 -0.16 0.00 0.00 0.00 0.00 19.45 17.06 2ak4 n ALA 15 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2ak4 s GLU 16 N -1.09 0.06 -0.03 0.00 2.12 -1.26 -5.12 118.70 113.38 2ak4 s GLU 16 Ca 0.60 0.21 -0.33 0.00 0.36 0.00 0.00 54.97 55.81 2ak4 s GLU 16 Cb -0.49 -1.12 -0.11 0.00 0.26 0.00 0.00 34.13 32.67 2ak4 s GLU 16 CO 0.54 -0.53 1.89 0.09 -0.54 0.00 0.00 175.26 176.71 2ak4 n ASN 17 N 5.30 3.67 0.00 -1.70 3.02 -1.26 -1.39 115.26 122.90 2ak4 n ASN 17 Ca -0.05 0.96 0.00 0.00 -0.03 0.00 0.00 54.58 55.45 2ak4 n ASN 17 Cb 0.49 -1.43 0.00 0.00 -0.61 0.00 0.00 39.78 38.24 2ak4 n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2ak4 n GLY 18 N 4.39 0.29 3.77 7.41 0.00 -0.29 -4.99 105.19 115.78 2ak4 n GLY 18 Ca 0.21 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.88 2ak4 n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ak4 s LYS 19 N -0.96 3.15 0.21 1.61 -0.14 -0.49 -4.98 119.74 118.14 2ak4 s LYS 19 Ca 0.00 -0.34 -0.30 0.00 -1.36 0.00 0.00 55.97 53.96 2ak4 s LYS 19 Cb 0.00 -2.93 -0.09 0.00 -1.68 0.00 0.00 37.83 33.13 2ak4 s LYS 19 CO 0.00 0.71 1.34 0.45 -0.76 0.00 0.00 175.35 177.09 2ak4 s SER 20 N -1.17 6.84 0.03 2.83 0.15 -1.26 -4.07 113.70 117.05 2ak4 s SER 20 Ca 0.17 2.45 0.00 0.00 0.70 0.00 0.00 55.95 59.27 2ak4 s SER 20 Cb -0.12 -2.61 -0.00 0.00 -1.71 0.00 0.00 66.02 61.58 2ak4 s SER 20 CO 0.06 -0.57 0.04 -3.20 1.20 0.00 0.00 173.24 170.77 2ak4 n ASN 21 N 2.63 -0.11 -4.07 5.45 2.85 0.64 -5.00 115.26 117.65 2ak4 n ASN 21 Ca 0.07 -1.19 -0.24 0.00 -0.11 0.00 0.00 54.58 53.11 2ak4 n ASN 21 Cb 0.42 0.22 -0.16 0.00 1.24 0.00 0.00 39.78 41.51 2ak4 n ASN 21 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 2ak4 s PHE 22 N -4.06 1.41 -0.23 1.20 0.40 -1.26 -1.17 117.98 114.27 2ak4 s PHE 22 Ca 0.03 -0.41 -0.13 0.00 -0.60 0.00 0.00 56.93 55.82 2ak4 s PHE 22 Cb -0.00 -0.97 -0.04 0.00 0.51 0.00 0.00 43.02 42.51 2ak4 s PHE 22 CO 0.02 -0.16 0.29 -1.17 0.70 0.00 0.00 175.22 174.90 2ak4 s LEU 23 N 0.18 4.12 0.02 -0.37 2.96 0.59 -1.42 118.68 124.77 2ak4 s LEU 23 Ca -0.05 0.31 0.04 0.00 -0.22 0.00 0.00 54.13 54.21 2ak4 s LEU 23 Cb -0.11 -2.32 -0.04 0.00 0.50 0.00 0.00 46.19 44.22 2ak4 s LEU 23 CO 0.02 -0.03 -0.05 0.20 -1.32 0.00 0.00 176.35 175.17 2ak4 s ASN 24 N 1.12 4.74 -0.21 3.68 0.01 0.14 -1.93 114.94 122.49 2ak4 s ASN 24 Ca 0.13 -0.15 -0.03 0.00 -0.71 0.00 0.00 52.86 52.11 2ak4 s ASN 24 Cb -0.14 -1.11 0.06 0.00 0.41 0.00 0.00 41.25 40.47 2ak4 s ASN 24 CO 0.07 0.26 0.04 0.00 -1.51 0.00 0.00 177.10 175.95 2ak4 s TYR 26 N 1.83 3.23 -0.14 0.00 5.04 0.27 -1.36 117.35 126.22 2ak4 s TYR 26 Ca -0.00 0.26 -0.01 0.00 -2.44 0.00 0.00 57.07 54.88 2ak4 s TYR 26 Cb -0.17 -2.60 -0.02 0.00 0.35 0.00 0.00 41.96 39.52 2ak4 s TYR 26 CO -0.10 -0.29 -0.11 0.14 -1.34 0.00 0.00 175.55 173.85 2ak4 s VAL 27 N 2.05 3.23 0.23 3.14 -7.23 -0.62 -1.13 120.40 120.07 2ak4 s VAL 27 Ca 0.14 -0.59 -0.12 0.00 -1.81 0.00 0.00 61.98 59.59 2ak4 s VAL 27 Cb -0.16 -2.38 -0.01 0.00 0.56 0.00 0.00 36.38 34.40 2ak4 s VAL 27 CO 0.11 0.51 0.44 -0.94 -0.31 0.00 0.00 175.10 174.91 2ak4 s SER 28 N 0.40 -0.07 -0.20 4.85 1.04 -0.88 -0.21 113.70 118.62 2ak4 s SER 28 Ca -0.09 -0.92 0.00 0.00 0.48 0.00 0.00 55.95 55.42 2ak4 s SER 28 Cb -0.15 0.55 0.00 0.00 0.10 0.00 0.00 66.02 66.52 2ak4 s SER 28 CO 0.05 -1.09 0.00 0.61 0.98 0.00 0.00 173.24 173.79 2ak4 n GLY 29 N -0.35 0.52 3.82 7.32 0.00 -0.62 -0.12 105.19 115.75 2ak4 n GLY 29 Ca -0.03 -0.28 -0.26 0.00 0.00 0.00 0.00 46.02 45.46 2ak4 n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2ak4 s PHE 30 N -1.90 3.18 -0.28 1.61 -0.12 -1.16 -4.27 117.98 115.05 2ak4 s PHE 30 Ca 0.00 -0.01 -0.19 0.00 -0.05 0.00 0.00 56.93 56.67 2ak4 s PHE 30 Cb 0.00 -1.52 0.08 0.00 -0.63 0.00 0.00 43.02 40.95 2ak4 s PHE 30 CO 0.00 0.52 0.71 -1.58 -0.05 0.00 0.00 175.22 174.82 2ak4 s HIS 31 N -1.79 -0.95 0.56 3.49 2.46 -0.71 0.11 115.29 118.46 2ak4 s HIS 31 Ca 0.31 2.03 -0.10 0.00 0.47 0.00 0.00 55.06 57.78 2ak4 s HIS 31 Cb -0.10 0.49 0.14 0.00 -0.13 0.00 0.00 32.58 32.98 2ak4 s HIS 31 CO 0.24 -0.47 0.57 -0.35 -2.47 0.00 0.00 174.74 172.27 2ak4 n PRO 32 N 3.68 -1.61 0.12 2.88 -0.04 -1.26 -1.06 135.00 137.70 2ak4 n PRO 32 Ca -0.18 -0.90 -0.01 0.00 -0.04 0.00 0.00 63.50 62.37 2ak4 n PRO 32 Cb 0.57 -0.76 0.01 0.00 -0.04 0.00 0.00 33.50 33.29 2ak4 n PRO 32 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2ak4 h SER 33 N -1.54 0.00 -2.53 3.54 4.64 -1.99 -3.46 113.55 112.21 2ak4 h SER 33 Ca -0.20 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.58 2ak4 h SER 33 Cb 0.60 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.72 2ak4 h SER 33 CO 0.14 0.67 1.12 -1.81 -0.87 0.00 0.00 176.83 176.07 2ak4 s ASP 34 N -6.56 6.49 -0.12 4.97 1.11 -1.26 -4.99 116.67 116.31 2ak4 s ASP 34 Ca 0.02 2.63 -0.09 0.00 0.18 0.00 0.00 52.55 55.29 2ak4 s ASP 34 Cb 0.09 -2.55 0.04 0.00 1.07 0.00 0.00 42.92 41.56 2ak4 s ASP 34 CO 0.77 -0.99 0.30 -0.51 1.18 0.00 0.00 175.17 175.92 2ak4 s ILE 35 N 3.30 -0.01 -0.34 0.77 2.07 -1.26 -4.64 121.20 121.08 2ak4 s ILE 35 Ca 0.81 0.05 -0.15 0.00 -1.41 0.00 0.00 60.65 59.95 2ak4 s ILE 35 Cb -0.43 -0.44 -0.01 0.00 0.13 0.00 0.00 42.46 41.71 2ak4 s ILE 35 CO 0.36 0.02 0.34 -1.61 -1.91 0.00 0.00 174.94 172.14 2ak4 s GLU 36 N 0.57 3.53 -0.10 3.50 2.02 -0.25 -4.99 118.70 122.97 2ak4 s GLU 36 Ca -0.03 -0.47 0.02 0.00 0.02 0.00 0.00 54.97 54.50 2ak4 s GLU 36 Cb -0.05 -3.81 0.01 0.00 0.10 0.00 0.00 34.13 30.38 2ak4 s GLU 36 CO -0.03 -0.52 -0.15 0.08 0.02 0.00 0.00 175.26 174.65 2ak4 s VAL 37 N 1.96 1.46 0.06 2.63 1.01 -1.26 -0.47 120.40 125.80 2ak4 s VAL 37 Ca 0.11 -0.63 0.08 0.00 0.00 0.00 0.00 61.98 61.54 2ak4 s VAL 37 Cb -0.17 -1.34 -0.03 0.00 0.00 0.00 0.00 36.38 34.85 2ak4 s VAL 37 CO 0.11 0.43 -0.22 -1.81 0.00 0.00 0.00 175.10 173.62 2ak4 s ASP 38 N 0.93 2.62 -0.15 3.32 1.01 -0.04 -4.99 116.67 119.37 2ak4 s ASP 38 Ca -0.08 -0.57 -0.06 0.00 0.71 0.00 0.00 52.55 52.55 2ak4 s ASP 38 Cb -0.15 -0.21 -0.04 0.00 1.01 0.00 0.00 42.92 43.53 2ak4 s ASP 38 CO -0.00 0.16 0.06 -0.76 0.21 0.00 0.00 175.17 174.83 2ak4 s LEU 39 N -1.35 3.85 -0.01 1.23 1.43 -1.26 -0.41 118.68 122.15 2ak4 s LEU 39 Ca 0.08 0.16 0.05 0.00 -1.03 0.00 0.00 54.13 53.40 2ak4 s LEU 39 Cb -0.09 -1.94 -0.03 0.00 0.03 0.00 0.00 46.19 44.16 2ak4 s LEU 39 CO 0.02 0.26 -0.17 -0.76 0.23 0.00 0.00 176.35 175.94 2ak4 s LEU 40 N -0.18 2.62 -0.16 1.79 1.43 0.06 0.21 118.68 124.45 2ak4 s LEU 40 Ca 0.07 -0.32 0.01 0.00 -1.03 0.00 0.00 54.13 52.87 2ak4 s LEU 40 Cb -0.12 -1.53 0.02 0.00 0.03 0.00 0.00 46.19 44.59 2ak4 s LEU 40 CO 0.01 0.31 -0.19 -0.75 0.23 0.00 0.00 176.35 175.96 2ak4 s LYS 41 N -1.02 2.78 -1.64 1.70 2.20 0.33 -1.87 119.74 122.22 2ak4 s LYS 41 Ca 0.13 -0.75 -0.13 0.00 -0.36 0.00 0.00 55.97 54.85 2ak4 s LYS 41 Cb -0.10 -2.37 0.12 0.00 -1.51 0.00 0.00 37.83 33.96 2ak4 s LYS 41 CO 0.02 -0.15 0.64 0.09 -0.36 0.00 0.00 175.35 175.59 2ak4 n ASN 42 N 4.48 -2.28 0.00 1.43 3.02 -0.01 -0.18 115.26 121.72 2ak4 n ASN 42 Ca -0.20 -1.04 0.00 0.00 -0.03 0.00 0.00 54.58 53.31 2ak4 n ASN 42 Cb 0.50 -2.69 0.00 0.00 -0.61 0.00 0.00 39.78 36.98 2ak4 n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2ak4 n GLY 43 N -1.59 0.90 3.44 7.41 0.00 -1.26 -5.03 105.19 109.05 2ak4 n GLY 43 Ca -0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.66 2ak4 n GLY 43 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2ak4 s GLU 44 N -0.18 2.66 0.07 1.61 2.12 0.75 -5.04 118.70 120.69 2ak4 s GLU 44 Ca 0.00 -0.72 -0.31 0.00 0.36 0.00 0.00 54.97 54.31 2ak4 s GLU 44 Cb 0.00 -2.40 -0.08 0.00 0.26 0.00 0.00 34.13 31.91 2ak4 s GLU 44 CO 0.00 0.53 1.54 0.50 -0.54 0.00 0.00 175.26 177.29 2ak4 s ARG 45 N -0.49 4.24 0.09 4.30 3.52 -1.26 0.12 118.95 129.47 2ak4 s ARG 45 Ca 0.06 2.21 -0.28 0.00 -0.13 0.00 0.00 55.73 57.58 2ak4 s ARG 45 Cb -0.12 -3.47 -0.06 0.00 -1.56 0.00 0.00 34.95 29.74 2ak4 s ARG 45 CO 0.02 -0.63 0.90 0.42 -0.81 0.00 0.00 175.30 175.20 2ak4 s ILE 46 N 2.13 4.59 0.48 4.11 1.01 0.13 -4.87 121.20 128.77 2ak4 s ILE 46 Ca 0.69 1.93 -0.01 0.00 0.00 0.00 0.00 60.65 63.27 2ak4 s ILE 46 Cb -0.38 -4.26 -0.00 0.00 0.01 0.00 0.00 42.46 37.83 2ak4 s ILE 46 CO 0.30 0.33 0.71 -1.61 0.00 0.00 0.00 174.94 174.67 2ak4 s GLU 47 N 0.02 3.05 -1.16 2.79 2.02 -1.26 -4.53 118.70 119.63 2ak4 s GLU 47 Ca 0.44 -0.38 -0.02 0.00 0.02 0.00 0.00 54.97 55.03 2ak4 s GLU 47 Cb -0.22 -2.50 -0.02 0.00 0.10 0.00 0.00 34.13 31.48 2ak4 s GLU 47 CO 0.28 -0.35 0.95 1.63 0.02 0.00 0.00 175.26 177.79 2ak4 n LYS 48 N -2.17 -5.16 -3.80 1.61 5.02 -1.26 -5.01 118.16 107.39 2ak4 n LYS 48 Ca 0.02 0.83 -0.35 0.00 -2.02 0.00 0.00 58.31 56.79 2ak4 n LYS 48 Cb 0.58 -5.78 -0.09 0.00 -0.02 0.00 0.00 35.03 29.72 2ak4 n LYS 48 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2ak4 s VAL 49 N -3.39 5.16 0.28 -0.18 1.01 -1.26 -4.84 120.40 117.18 2ak4 s VAL 49 Ca 0.14 0.10 0.06 0.00 0.00 0.00 0.00 61.98 62.29 2ak4 s VAL 49 Cb -0.02 -3.36 -0.03 0.00 0.00 0.00 0.00 36.38 32.97 2ak4 s VAL 49 CO 0.74 0.42 0.33 -1.61 0.00 0.00 0.00 175.10 174.98 2ak4 s GLU 50 N 0.58 3.08 0.05 2.72 2.02 -0.50 -4.93 118.70 121.72 2ak4 s GLU 50 Ca 0.06 -1.01 -0.00 0.00 0.02 0.00 0.00 54.97 54.05 2ak4 s GLU 50 Cb -0.12 -2.70 -0.03 0.00 0.10 0.00 0.00 34.13 31.37 2ak4 s GLU 50 CO 0.00 0.27 -0.04 -3.38 0.02 0.00 0.00 175.26 172.13 2ak4 s HIS 51 N -2.13 0.53 0.85 1.61 -3.43 -1.26 -0.69 115.29 110.77 2ak4 s HIS 51 Ca 0.38 -0.87 -0.12 0.00 -0.80 0.00 0.00 55.06 53.65 2ak4 s HIS 51 Cb -0.08 -0.36 0.10 0.00 -1.43 0.00 0.00 32.58 30.81 2ak4 s HIS 51 CO 0.28 -0.27 1.10 -1.54 -2.00 0.00 0.00 174.74 172.31 2ak4 s SER 52 N -2.47 3.94 0.29 7.38 1.04 0.25 -4.99 113.70 119.14 2ak4 s SER 52 Ca 0.01 1.32 -0.29 0.00 0.48 0.00 0.00 55.95 57.47 2ak4 s SER 52 Cb 0.02 -2.02 -0.10 0.00 0.10 0.00 0.00 66.02 64.03 2ak4 s SER 52 CO -0.06 -2.32 1.12 -1.81 0.98 0.00 0.00 173.24 171.15 2ak4 s ASP 53 N -3.73 7.18 0.09 7.02 1.01 -1.26 -4.71 116.67 122.27 2ak4 s ASP 53 Ca 0.62 2.32 -0.31 0.00 0.71 0.00 0.00 52.55 55.89 2ak4 s ASP 53 Cb -0.16 -2.63 -0.10 0.00 1.01 0.00 0.00 42.92 41.05 2ak4 s ASP 53 CO 0.55 -0.21 1.84 -0.22 0.21 0.00 0.00 175.17 177.35 2ak4 s LEU 54 N -1.54 4.40 0.00 1.23 2.96 -1.26 -4.92 118.68 119.55 2ak4 s LEU 54 Ca 0.46 2.70 0.06 0.00 -0.22 0.00 0.00 54.13 57.13 2ak4 s LEU 54 Cb -0.33 -3.56 -0.02 0.00 0.50 0.00 0.00 46.19 42.78 2ak4 s LEU 54 CO 0.42 -1.00 0.23 -0.24 -1.32 0.00 0.00 176.35 174.44 2ak4 n SER 55 N 6.17 -0.30 -3.80 3.68 2.88 -1.23 -5.06 113.62 115.96 2ak4 n SER 55 Ca 0.18 -2.97 -0.10 0.00 -1.33 0.00 0.00 58.87 54.65 2ak4 n SER 55 Cb 0.39 1.40 -0.07 0.00 -0.75 0.00 0.00 64.21 65.18 2ak4 n SER 55 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 2ak4 s PHE 56 N -3.16 -0.00 0.82 0.66 -0.71 -1.26 -2.04 117.98 112.29 2ak4 s PHE 56 Ca 0.33 -0.25 -0.08 0.00 -1.04 0.00 0.00 56.93 55.88 2ak4 s PHE 56 Cb 0.02 0.03 0.14 0.00 -1.21 0.00 0.00 43.02 42.00 2ak4 s PHE 56 CO 0.23 -0.51 1.14 -1.12 -1.34 0.00 0.00 175.22 173.62 2ak4 s SER 57 N -2.33 3.93 0.47 1.98 0.01 -0.05 -4.91 113.70 112.80 2ak4 s SER 57 Ca -0.02 0.08 0.17 0.00 1.31 0.00 0.00 55.95 57.49 2ak4 s SER 57 Cb 0.01 -0.37 1.15 0.00 0.21 0.00 0.00 66.02 67.01 2ak4 s SER 57 CO -0.06 -2.17 2.01 0.11 0.41 0.00 0.00 173.24 173.54 2ak4 h LYS 58 N -1.02 0.25 -0.57 12.44 6.56 -2.03 0.10 116.57 132.30 2ak4 h LYS 58 Ca -0.41 -0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.16 2ak4 h LYS 58 Cb 1.26 -0.06 0.00 0.00 -0.57 0.00 0.00 32.23 32.87 2ak4 h LYS 58 CO 0.44 0.16 0.00 -0.40 -2.06 0.00 0.00 179.45 177.59 2ak4 n ASP 59 N -4.46 2.25 0.00 0.86 5.68 -1.26 -4.91 116.55 114.72 2ak4 n ASP 59 Ca 0.07 -2.19 0.00 0.00 -0.50 0.00 0.00 54.79 52.18 2ak4 n ASP 59 Cb 0.37 -0.39 0.00 0.00 -1.14 0.00 0.00 41.12 39.96 2ak4 n ASP 59 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 2ak4 n TRP 60 N 0.31 0.00 -2.43 2.11 7.02 0.35 -5.00 117.44 119.79 2ak4 n TRP 60 Ca 0.10 0.00 -0.37 0.00 -1.02 0.00 0.00 57.50 56.21 2ak4 n TRP 60 Cb 0.44 -0.33 -0.03 0.00 -2.42 0.00 0.00 31.31 28.97 2ak4 n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 2ak4 s SER 61 N -3.02 6.60 0.45 -0.99 1.04 -1.26 -4.70 113.70 111.83 2ak4 s SER 61 Ca 0.00 2.16 -0.07 0.00 0.48 0.00 0.00 55.95 58.52 2ak4 s SER 61 Cb 0.00 -2.60 -0.04 0.00 0.10 0.00 0.00 66.02 63.48 2ak4 s SER 61 CO 0.00 -0.61 0.77 -0.36 0.98 0.00 0.00 173.24 174.02 2ak4 s PHE 62 N -1.58 3.53 0.01 5.02 0.08 0.12 -0.87 117.98 124.30 2ak4 s PHE 62 Ca 0.59 0.87 -0.07 0.00 0.12 0.00 0.00 56.93 58.44 2ak4 s PHE 62 Cb -0.25 -2.33 -0.00 0.00 -0.57 0.00 0.00 43.02 39.86 2ak4 s PHE 62 CO 0.31 -0.21 0.13 1.52 -0.10 0.00 0.00 175.22 176.87 2ak4 s TYR 63 N -2.61 0.08 -0.09 0.36 -0.85 -0.86 -1.59 117.35 111.79 2ak4 s TYR 63 Ca 0.48 -0.23 -0.12 0.00 -0.52 0.00 0.00 57.07 56.68 2ak4 s TYR 63 Cb -0.10 -0.07 0.03 0.00 0.38 0.00 0.00 41.96 42.20 2ak4 s TYR 63 CO 0.40 -0.31 0.32 -0.51 -1.52 0.00 0.00 175.55 173.93 2ak4 s LEU 64 N -1.57 0.80 -0.22 -3.49 1.43 0.70 -3.56 118.68 112.77 2ak4 s LEU 64 Ca -0.12 0.46 -0.07 0.00 -1.03 0.00 0.00 54.13 53.37 2ak4 s LEU 64 Cb -0.06 1.16 -0.03 0.00 0.03 0.00 0.00 46.19 47.29 2ak4 s LEU 64 CO 0.00 -0.23 0.05 -0.22 0.23 0.00 0.00 176.35 176.18 2ak4 s LEU 65 N -0.34 3.45 -0.17 1.79 2.96 -1.26 -1.59 118.68 123.51 2ak4 s LEU 65 Ca -0.05 -0.15 -0.07 0.00 -0.22 0.00 0.00 54.13 53.64 2ak4 s LEU 65 Cb -0.03 -1.90 -0.04 0.00 0.50 0.00 0.00 46.19 44.72 2ak4 s LEU 65 CO 0.02 0.03 0.04 -0.31 -1.32 0.00 0.00 176.35 174.81 2ak4 s TYR 66 N 1.21 3.22 0.03 5.38 1.51 -0.47 -0.58 117.35 127.64 2ak4 s TYR 66 Ca 0.04 0.02 -0.07 0.00 -1.01 0.00 0.00 57.07 56.05 2ak4 s TYR 66 Cb -0.14 -2.05 -0.00 0.00 -0.11 0.00 0.00 41.96 39.65 2ak4 s TYR 66 CO 0.03 0.14 0.14 1.52 -1.11 0.00 0.00 175.55 176.27 2ak4 s TYR 67 N 0.31 0.11 -0.12 2.71 1.13 0.14 -0.06 117.35 121.56 2ak4 s TYR 67 Ca 0.02 -0.32 -0.15 0.00 -1.41 0.00 0.00 57.07 55.21 2ak4 s TYR 67 Cb -0.13 -0.08 0.04 0.00 -1.10 0.00 0.00 41.96 40.69 2ak4 s TYR 67 CO 0.01 -0.36 0.41 -0.08 -2.51 0.00 0.00 175.55 173.01 2ak4 s THR 68 N -2.21 0.01 0.28 -3.49 -1.32 -0.81 -1.41 115.64 106.69 2ak4 s THR 68 Ca -0.08 -0.11 -0.28 0.00 -1.21 0.00 0.00 61.69 60.01 2ak4 s THR 68 Cb -0.03 -0.61 -0.09 0.00 -1.51 0.00 0.00 72.50 70.25 2ak4 s THR 68 CO -0.02 -0.06 0.99 -1.83 -2.21 0.00 0.00 174.62 171.48 2ak4 s GLU 69 N -0.21 4.68 0.17 7.08 -1.05 -1.26 -0.30 118.70 127.81 2ak4 s GLU 69 Ca -0.04 1.53 -0.17 0.00 -0.15 0.00 0.00 54.97 56.14 2ak4 s GLU 69 Cb -0.03 -3.08 0.03 0.00 -0.44 0.00 0.00 34.13 30.61 2ak4 s GLU 69 CO 0.02 0.33 0.48 -0.59 0.95 0.00 0.00 175.26 176.45 2ak4 s PHE 70 N -1.32 -0.17 -0.29 4.83 -0.71 -0.32 -4.89 117.98 115.11 2ak4 s PHE 70 Ca 0.46 -0.15 0.03 0.00 -1.04 0.00 0.00 56.93 56.23 2ak4 s PHE 70 Cb -0.25 0.35 0.07 0.00 -1.21 0.00 0.00 43.02 41.98 2ak4 s PHE 70 CO 0.32 -0.83 -0.06 0.99 -1.34 0.00 0.00 175.22 174.30 2ak4 s THR 71 N -3.84 2.25 0.46 -4.49 2.01 -1.26 -0.26 115.64 110.51 2ak4 s THR 71 Ca 0.06 -1.83 -0.25 0.00 0.31 0.00 0.00 61.69 59.99 2ak4 s THR 71 Cb 0.00 -2.42 -0.08 0.00 0.01 0.00 0.00 72.50 70.01 2ak4 s THR 71 CO -0.07 -0.20 1.39 -2.84 -0.69 0.00 0.00 174.62 172.21 2ak4 s PRO 72 N 1.05 3.65 0.22 4.92 0.02 -1.26 -4.82 135.00 138.78 2ak4 s PRO 72 Ca -0.03 2.32 0.02 0.00 0.02 0.00 0.00 61.00 63.33 2ak4 s PRO 72 Cb -0.20 -2.60 -0.05 0.00 0.02 0.00 0.00 34.50 31.67 2ak4 s PRO 72 CO -0.06 -0.81 0.04 0.95 -0.33 0.00 0.00 177.00 176.80 2ak4 s THR 73 N -1.24 0.67 0.29 0.99 -4.23 -1.26 -1.13 115.64 109.72 2ak4 s THR 73 Ca 0.62 -2.00 -0.02 0.00 -1.18 0.00 0.00 61.69 59.11 2ak4 s THR 73 Cb -0.42 -2.38 0.22 0.00 1.34 0.00 0.00 72.50 71.26 2ak4 s THR 73 CO 0.53 -0.24 1.91 -0.08 -0.54 0.00 0.00 174.62 176.20 2ak4 h GLU 74 N 2.52 1.02 0.06 3.99 4.81 -1.97 -3.26 114.58 121.75 2ak4 h GLU 74 Ca -0.38 -0.11 -0.16 0.00 -0.13 0.00 0.00 59.36 58.58 2ak4 h GLU 74 Cb 1.23 -0.20 0.02 0.00 0.63 0.00 0.00 28.75 30.42 2ak4 h GLU 74 CO 0.62 0.75 -0.65 0.87 -0.73 0.00 0.00 179.01 179.86 2ak4 h LYS 75 N 1.02 0.33 -6.51 1.92 1.57 -2.02 -3.46 116.57 109.43 2ak4 h LYS 75 Ca 0.26 -0.44 -0.53 0.00 -1.87 0.00 0.00 60.65 58.06 2ak4 h LYS 75 Cb 0.03 0.15 0.01 0.00 0.08 0.00 0.00 32.23 32.50 2ak4 h LYS 75 CO -0.04 1.15 0.64 -0.51 -0.57 0.00 0.00 179.45 180.12 2ak4 s ASP 76 N -6.80 6.96 -0.10 0.86 1.01 -1.23 -5.03 116.67 112.34 2ak4 s ASP 76 Ca -0.14 2.16 0.00 0.00 0.71 0.00 0.00 52.55 55.28 2ak4 s ASP 76 Cb 0.02 -2.58 -0.02 0.00 1.01 0.00 0.00 42.92 41.34 2ak4 s ASP 76 CO 0.82 -0.56 -0.10 -1.61 0.21 0.00 0.00 175.17 173.93 2ak4 s GLU 77 N 1.11 3.05 0.22 8.23 2.02 -1.26 -4.67 118.70 127.40 2ak4 s GLU 77 Ca 0.61 -0.63 0.11 0.00 0.02 0.00 0.00 54.97 55.09 2ak4 s GLU 77 Cb -0.33 -2.60 -0.05 0.00 0.10 0.00 0.00 34.13 31.26 2ak4 s GLU 77 CO 0.30 0.43 -0.19 0.71 0.02 0.00 0.00 175.26 176.52 2ak4 s TYR 78 N -0.20 2.37 0.18 1.61 2.02 -1.26 -0.83 117.35 121.23 2ak4 s TYR 78 Ca 0.01 -0.32 -0.18 0.00 -0.37 0.00 0.00 57.07 56.21 2ak4 s TYR 78 Cb -0.13 -1.12 0.03 0.00 -0.40 0.00 0.00 41.96 40.34 2ak4 s TYR 78 CO 0.03 0.57 0.52 0.00 -1.57 0.00 0.00 175.55 175.10 2ak4 s ALA 79 N -1.96 -1.03 -0.09 3.71 0.00 -0.78 -0.38 121.76 121.23 2ak4 s ALA 79 Ca 0.25 -0.10 0.01 0.00 0.00 0.00 0.00 51.96 52.12 2ak4 s ALA 79 Cb -0.07 0.83 -0.02 0.00 0.00 0.00 0.00 23.12 23.86 2ak4 s ALA 79 CO 0.13 -0.78 -0.11 0.00 0.00 0.00 0.00 175.76 175.00 2ak4 s ARG 81 N -0.29 2.89 -0.07 0.00 3.52 0.45 -1.37 118.95 124.08 2ak4 s ARG 81 Ca 0.03 -0.92 0.05 0.00 -0.13 0.00 0.00 55.73 54.76 2ak4 s ARG 81 Cb -0.13 -2.82 -0.01 0.00 -1.56 0.00 0.00 34.95 30.43 2ak4 s ARG 81 CO 0.03 -0.32 -0.24 0.08 -0.81 0.00 0.00 175.30 174.03 2ak4 s VAL 82 N 1.31 2.00 0.02 7.11 1.01 -0.07 -0.86 120.40 130.92 2ak4 s VAL 82 Ca 0.02 -1.02 0.05 0.00 0.00 0.00 0.00 61.98 61.03 2ak4 s VAL 82 Cb -0.15 -1.71 -0.02 0.00 0.00 0.00 0.00 36.38 34.49 2ak4 s VAL 82 CO -0.08 0.55 -0.14 0.21 0.00 0.00 0.00 175.10 175.65 2ak4 s ASN 83 N 0.08 1.68 0.01 3.32 3.04 0.38 0.32 114.94 123.77 2ak4 s ASN 83 Ca -0.10 -0.38 -0.26 0.00 0.04 0.00 0.00 52.86 52.15 2ak4 s ASN 83 Cb -0.15 -0.14 0.06 0.00 -1.54 0.00 0.00 41.25 39.48 2ak4 s ASN 83 CO 0.06 0.09 0.60 -2.28 -3.04 0.00 0.00 177.10 172.52 2ak4 s HIS 84 N -0.65 -0.54 0.49 0.43 2.46 -1.26 -1.10 115.29 115.11 2ak4 s HIS 84 Ca 0.03 0.77 0.23 0.00 0.47 0.00 0.00 55.06 56.56 2ak4 s HIS 84 Cb -0.07 0.39 1.27 0.00 -0.13 0.00 0.00 32.58 34.04 2ak4 s HIS 84 CO 0.01 -0.64 1.93 -0.24 -2.47 0.00 0.00 174.74 173.33 2ak4 h VAL 85 N 2.87 0.71 0.00 0.89 3.04 -1.96 0.23 116.25 122.02 2ak4 h VAL 85 Ca -0.29 -0.06 -0.01 0.00 -1.01 0.00 0.00 66.70 65.32 2ak4 h VAL 85 Cb 1.19 0.51 -0.00 0.00 -2.01 0.00 0.00 31.29 30.98 2ak4 h VAL 85 CO 0.40 0.03 -0.07 0.71 -1.01 0.00 0.00 177.57 177.63 2ak4 h THR 86 N 0.18 0.19 -3.86 3.17 1.35 -1.92 -3.42 112.91 108.60 2ak4 h THR 86 Ca 0.35 -0.61 -0.64 0.00 -0.55 0.00 0.00 66.41 64.96 2ak4 h THR 86 Cb 1.11 1.51 -0.17 0.00 -1.73 0.00 0.00 68.15 68.87 2ak4 h THR 86 CO -0.06 0.06 -0.52 -0.76 -0.25 0.00 0.00 175.52 173.99 2ak4 s LEU 87 N -6.44 4.01 0.41 3.87 1.43 0.79 -4.94 118.68 117.82 2ak4 s LEU 87 Ca 0.00 -0.00 0.27 0.00 -1.03 0.00 0.00 54.13 53.36 2ak4 s LEU 87 Cb 0.10 -2.11 0.77 0.00 0.03 0.00 0.00 46.19 44.98 2ak4 s LEU 87 CO 0.56 -0.04 1.75 0.77 0.23 0.00 0.00 176.35 179.62 2ak4 h SER 88 N 8.28 0.00 -4.07 2.29 4.64 -1.82 -3.41 113.55 119.47 2ak4 h SER 88 Ca -0.35 0.00 -0.41 0.00 -0.47 0.00 0.00 61.79 60.56 2ak4 h SER 88 Cb 1.19 0.00 -0.29 0.00 -0.31 0.00 0.00 62.40 62.99 2ak4 h SER 88 CO 0.56 0.00 -0.78 -1.10 -0.87 0.00 0.00 176.83 174.64 2ak4 s GLN 89 N -3.33 0.80 0.27 4.77 -1.52 -1.26 -5.12 119.66 114.27 2ak4 s GLN 89 Ca 0.06 -0.35 -0.30 0.00 -1.95 0.00 0.00 55.36 52.81 2ak4 s GLN 89 Cb 0.08 -0.77 -0.11 0.00 -0.22 0.00 0.00 33.01 31.99 2ak4 s GLN 89 CO 0.59 0.21 1.54 -2.14 -0.25 0.00 0.00 175.29 175.25 2ak4 s PRO 90 N -0.24 4.18 -0.26 2.91 0.02 -1.26 -4.89 135.00 135.45 2ak4 s PRO 90 Ca 0.04 2.47 -0.14 0.00 0.02 0.00 0.00 61.00 63.39 2ak4 s PRO 90 Cb -0.04 -3.06 -0.04 0.00 0.02 0.00 0.00 34.50 31.38 2ak4 s PRO 90 CO -0.00 -0.56 0.31 0.21 -0.33 0.00 0.00 177.00 176.63 2ak4 s LYS 91 N -0.30 4.02 -0.24 5.54 2.20 0.15 -4.89 119.74 126.22 2ak4 s LYS 91 Ca 0.63 -0.05 -0.10 0.00 -0.36 0.00 0.00 55.97 56.08 2ak4 s LYS 91 Cb -0.46 -3.63 -0.05 0.00 -1.51 0.00 0.00 37.83 32.18 2ak4 s LYS 91 CO 0.45 -0.20 0.15 0.42 -0.36 0.00 0.00 175.35 175.81 2ak4 s ILE 92 N 1.83 5.24 -0.20 5.43 1.09 -1.26 -0.89 121.20 132.44 2ak4 s ILE 92 Ca 0.13 0.14 0.00 0.00 -1.10 0.00 0.00 60.65 59.82 2ak4 s ILE 92 Cb -0.16 -3.45 0.02 0.00 -1.06 0.00 0.00 42.46 37.82 2ak4 s ILE 92 CO 0.09 0.34 -0.16 -0.69 -0.10 0.00 0.00 174.94 174.42 2ak4 s VAL 93 N 1.16 2.32 0.42 2.92 1.01 -0.47 -4.98 120.40 122.77 2ak4 s VAL 93 Ca 0.07 -0.92 -0.23 0.00 0.00 0.00 0.00 61.98 60.89 2ak4 s VAL 93 Cb -0.14 -2.03 -0.09 0.00 0.00 0.00 0.00 36.38 34.13 2ak4 s VAL 93 CO 0.05 0.46 1.08 -0.54 0.00 0.00 0.00 175.10 176.15 2ak4 s LYS 94 N 1.31 4.04 -0.16 2.72 1.02 -1.26 -0.73 119.74 126.68 2ak4 s LYS 94 Ca 0.04 1.57 -0.29 0.00 0.02 0.00 0.00 55.97 57.30 2ak4 s LYS 94 Cb -0.14 -2.48 -0.00 0.00 -0.52 0.00 0.00 37.83 34.69 2ak4 s LYS 94 CO -0.10 -0.26 1.02 -0.46 -0.92 0.00 0.00 175.35 174.63 2ak4 s TRP 95 N -1.65 3.43 -0.19 3.18 -0.00 0.49 -4.87 118.94 119.33 2ak4 s TRP 95 Ca 0.60 1.54 0.00 0.00 -0.00 0.00 0.00 56.10 58.23 2ak4 s TRP 95 Cb -0.23 -3.23 0.02 0.00 -0.00 0.00 0.00 33.47 30.03 2ak4 s TRP 95 CO 0.29 -0.35 -0.16 0.34 -0.00 0.00 0.00 176.95 177.07 2ak4 s ASP 96 N 1.15 3.46 0.37 5.86 -1.08 -1.26 -4.70 116.67 120.47 2ak4 s ASP 96 Ca 0.47 -0.65 0.27 0.00 -0.52 0.00 0.00 52.55 52.12 2ak4 s ASP 96 Cb -0.17 -1.54 1.25 0.00 -1.46 0.00 0.00 42.92 41.00 2ak4 s ASP 96 CO 0.13 -0.02 1.82 0.08 0.52 0.00 0.00 175.17 177.70 2ak4 h ARG 97 N 7.97 0.00 -0.25 4.34 0.11 -1.95 -1.61 114.38 122.98 2ak4 h ARG 97 Ca -0.43 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.65 2ak4 h ARG 97 Cb 1.14 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.22 2ak4 h ARG 97 CO 0.62 0.00 0.00 -0.25 0.10 0.00 0.00 179.97 180.44 2ak4 n ASP 98 N -2.50 2.31 0.00 0.08 8.00 -1.26 -4.71 116.55 118.47 2ak4 n ASP 98 Ca 0.00 -1.83 0.00 0.00 0.71 0.00 0.00 54.79 53.68 2ak4 n ASP 98 Cb 0.18 -0.16 0.00 0.00 -0.02 0.00 0.00 41.12 41.12 2ak4 n ASP 98 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04