#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tk7 s SER 2 N 0.00 7.00 -0.00 1.61 0.01 -1.26 -4.94 113.70 116.12 1tk7 s SER 2 Ca 0.00 2.27 -0.30 0.00 1.31 0.00 0.00 55.95 59.23 1tk7 s SER 2 Cb 0.00 -2.60 -0.08 0.00 0.21 0.00 0.00 66.02 63.55 1tk7 s SER 2 CO 0.00 -0.46 1.99 -2.16 0.41 0.00 0.00 173.24 173.02 1tk7 s PRO 3 N 0.09 4.01 -0.24 12.44 0.04 -1.26 -4.78 135.00 145.30 1tk7 s PRO 3 Ca 0.56 2.52 0.09 0.00 0.04 0.00 0.00 61.00 64.21 1tk7 s PRO 3 Cb -0.34 -4.19 0.29 0.00 0.04 0.00 0.00 34.50 30.31 1tk7 s PRO 3 CO 0.36 -1.11 1.27 -1.91 0.04 0.00 0.00 177.00 175.65 1tk7 n GLU 4 N 7.69 0.98 -1.18 4.56 4.07 -1.26 -5.11 120.64 130.40 1tk7 n GLU 4 Ca 0.21 -0.93 0.00 0.00 -0.06 0.00 0.00 57.16 56.38 1tk7 n GLU 4 Cb 0.42 0.35 0.00 0.00 -0.06 0.00 0.00 31.44 32.14 1tk7 n GLU 4 CO 0.00 0.00 0.00 1.19 -0.06 0.00 0.00 177.13 178.26 1tk7 n PHE 5 N -1.12 -2.91 -0.59 4.31 3.01 -1.26 -5.04 117.46 113.87 1tk7 n PHE 5 Ca -0.15 1.56 0.00 0.00 1.01 0.00 0.00 57.45 59.88 1tk7 n PHE 5 Cb 0.78 -2.85 0.00 0.00 -0.01 0.00 0.00 39.48 37.40 1tk7 n PHE 5 CO 0.00 0.00 0.00 0.72 1.01 0.00 0.00 176.76 178.49 1tk7 n HIS 6 N 0.32 -1.61 -0.08 1.38 8.25 -1.26 -4.96 115.22 117.25 1tk7 n HIS 6 Ca 0.00 0.87 -0.08 0.00 -0.26 0.00 0.00 57.72 58.25 1tk7 n HIS 6 Cb 0.00 -1.67 -0.03 0.00 1.12 0.00 0.00 29.99 29.41 1tk7 n HIS 6 CO 0.00 0.00 0.00 -1.33 0.64 0.00 0.00 176.34 175.65 1tk7 n MET 7 N -1.88 0.49 0.00 -0.41 2.81 -1.26 -4.95 117.12 111.92 1tk7 n MET 7 Ca 0.00 0.40 0.00 0.00 -1.81 0.00 0.00 57.70 56.29 1tk7 n MET 7 Cb 0.17 -1.59 0.00 0.00 -0.71 0.00 0.00 33.22 31.10 1tk7 n MET 7 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 1tk7 n ASP 8 N -4.54 0.00 0.00 7.83 2.03 -1.26 -4.79 116.55 115.82 1tk7 n ASP 8 Ca -0.12 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.19 1tk7 n ASP 8 Cb 0.40 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.80 1tk7 n ASP 8 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1tk7 n ALA 9 N 11.05 0.00 -0.00 -1.67 0.00 -1.26 -4.26 120.51 124.36 1tk7 n ALA 9 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 1tk7 n ALA 9 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.37 1tk7 n ALA 9 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1tk7 h LEU 10 N 0.00 -0.09 -2.09 0.00 3.38 -1.94 -3.33 115.31 111.24 1tk7 h LEU 10 Ca 0.00 -0.49 0.00 0.00 0.09 0.00 0.00 57.88 57.48 1tk7 h LEU 10 Cb 0.00 0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.77 1tk7 h LEU 10 CO 0.00 0.58 0.00 0.61 0.09 0.00 0.00 178.44 179.72 1tk7 n GLY 11 N 1.06 0.32 3.73 0.83 0.00 -1.26 -4.88 105.19 104.99 1tk7 n GLY 11 Ca -0.07 -0.39 -0.42 0.00 0.00 0.00 0.00 46.02 45.14 1tk7 n GLY 11 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1tk7 s PRO 12 N -2.70 4.41 -1.10 1.61 0.02 -1.26 -3.94 135.00 132.03 1tk7 s PRO 12 Ca 0.00 1.94 -0.22 0.00 0.02 0.00 0.00 61.00 62.74 1tk7 s PRO 12 Cb 0.00 -3.26 0.01 0.00 0.02 0.00 0.00 34.50 31.27 1tk7 s PRO 12 CO 0.00 -0.26 0.73 1.28 -0.33 0.00 0.00 177.00 178.42 1tk7 n LEU 13 N 3.25 -1.99 -4.70 -5.54 4.77 -1.26 -4.83 117.00 106.70 1tk7 n LEU 13 Ca 0.08 -1.07 -0.43 0.00 -0.03 0.00 0.00 56.01 54.56 1tk7 n LEU 13 Cb 0.44 -2.06 -0.03 0.00 -2.33 0.00 0.00 43.42 39.44 1tk7 n LEU 13 CO 0.57 0.51 1.41 -0.81 -1.33 0.00 0.00 177.39 177.74 1tk7 n PRO 14 N -4.18 2.71 -1.28 3.23 -0.04 -1.25 -4.86 135.00 129.32 1tk7 n PRO 14 Ca -0.12 0.98 -0.37 0.00 -0.04 0.00 0.00 63.50 63.94 1tk7 n PRO 14 Cb 0.59 -2.85 -0.04 0.00 -0.04 0.00 0.00 33.50 31.17 1tk7 n PRO 14 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1tk7 n ASP 15 N 4.87 8.52 0.00 3.54 8.00 -1.26 -3.30 116.55 136.92 1tk7 n ASP 15 Ca 0.17 -2.56 0.00 0.00 0.71 0.00 0.00 54.79 53.12 1tk7 n ASP 15 Cb 0.35 -1.54 0.00 0.00 -0.02 0.00 0.00 41.12 39.91 1tk7 n ASP 15 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1tk7 n GLY 16 N 3.54 0.61 3.98 0.44 0.00 -1.26 -5.09 105.19 107.41 1tk7 n GLY 16 Ca 0.76 -0.05 -0.23 0.00 0.00 0.00 0.00 46.02 46.51 1tk7 n GLY 16 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1tk7 s TRP 17 N 0.00 2.30 -0.03 1.61 0.52 -1.21 -2.47 118.94 119.66 1tk7 s TRP 17 Ca 0.00 -0.10 -0.00 0.00 0.02 0.00 0.00 56.10 56.02 1tk7 s TRP 17 Cb 0.00 -2.89 0.03 0.00 -1.15 0.00 0.00 33.47 29.46 1tk7 s TRP 17 CO 0.00 -1.29 0.03 -1.21 0.02 0.00 0.00 176.95 174.51 1tk7 s GLU 18 N -4.97 0.04 -0.13 4.98 2.02 0.39 -4.49 118.70 116.54 1tk7 s GLU 18 Ca 0.61 0.21 -0.02 0.00 0.02 0.00 0.00 54.97 55.80 1tk7 s GLU 18 Cb -0.08 -0.39 -0.03 0.00 0.10 0.00 0.00 34.13 33.73 1tk7 s GLU 18 CO 0.41 -0.21 -0.06 -1.59 0.02 0.00 0.00 175.26 173.83 1tk7 s LYS 19 N 1.39 3.40 -0.13 1.61 -2.85 -1.26 0.14 119.74 122.04 1tk7 s LYS 19 Ca -0.05 -0.56 -0.00 0.00 -1.00 0.00 0.00 55.97 54.36 1tk7 s LYS 19 Cb -0.13 -2.78 0.03 0.00 -2.06 0.00 0.00 37.83 32.89 1tk7 s LYS 19 CO -0.03 0.34 -0.08 0.21 0.10 0.00 0.00 175.35 175.89 1tk7 s LYS 20 N 0.08 1.63 -0.08 1.78 2.20 -0.40 -4.93 119.74 120.03 1tk7 s LYS 20 Ca -0.02 -0.36 -0.24 0.00 -0.36 0.00 0.00 55.97 54.98 1tk7 s LYS 20 Cb -0.14 -1.77 -0.03 0.00 -1.51 0.00 0.00 37.83 34.38 1tk7 s LYS 20 CO 0.03 -0.30 0.75 -1.50 -0.36 0.00 0.00 175.35 173.97 1tk7 s ILE 21 N 1.65 5.00 -0.10 5.43 1.10 -1.26 0.34 121.20 133.37 1tk7 s ILE 21 Ca 0.04 1.53 -0.09 0.00 -0.51 0.00 0.00 60.65 61.61 1tk7 s ILE 21 Cb -0.13 -4.08 -0.04 0.00 0.15 0.00 0.00 42.46 38.35 1tk7 s ILE 21 CO -0.08 0.20 0.20 -1.58 -2.11 0.00 0.00 174.94 171.57 1tk7 s GLN 22 N 1.09 3.62 0.37 3.50 2.00 0.13 -4.98 119.66 125.38 1tk7 s GLN 22 Ca 0.39 -0.01 0.21 0.00 -2.00 0.00 0.00 55.36 53.95 1tk7 s GLN 22 Cb -0.18 -3.22 1.34 0.00 0.80 0.00 0.00 33.01 31.75 1tk7 s GLN 22 CO 0.18 0.71 1.58 1.03 -0.50 0.00 0.00 175.29 178.29 1tk7 h SER 23 N 5.09 0.31 -0.46 6.67 0.87 -1.97 -1.21 113.55 122.84 1tk7 h SER 23 Ca -0.53 0.26 -0.02 0.00 -1.23 0.00 0.00 61.79 60.27 1tk7 h SER 23 Cb 1.22 0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 63.43 1tk7 h SER 23 CO 0.61 -0.44 0.20 0.44 -0.53 0.00 0.00 176.83 177.11 1tk7 h ASP 24 N 0.00 0.63 0.00 6.23 3.32 -2.04 -3.45 116.42 121.11 1tk7 h ASP 24 Ca 0.85 -0.16 0.00 0.00 0.02 0.00 0.00 57.03 57.74 1tk7 h ASP 24 Cb 2.23 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 41.62 1tk7 h ASP 24 CO -0.77 0.61 0.00 -0.46 -1.72 0.00 0.00 179.24 176.90 1tk7 n ASN 25 N -4.60 0.00 -4.71 6.45 6.94 -0.46 -5.15 115.26 113.73 1tk7 n ASN 25 Ca 0.01 0.00 -0.35 0.00 -0.02 0.00 0.00 54.58 54.22 1tk7 n ASN 25 Cb 0.14 0.00 -0.09 0.00 -2.36 0.00 0.00 39.78 37.47 1tk7 n ASN 25 CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 1tk7 s ARG 26 N 0.00 3.86 -0.22 -3.83 0.52 -1.19 -4.95 118.95 113.15 1tk7 s ARG 26 Ca 0.00 -0.27 -0.08 0.00 -0.52 0.00 0.00 55.73 54.86 1tk7 s ARG 26 Cb 0.00 -3.23 -0.04 0.00 0.52 0.00 0.00 34.95 32.20 1tk7 s ARG 26 CO 0.00 0.41 0.08 0.08 0.02 0.00 0.00 175.30 175.89 1tk7 s VAL 27 N 0.01 4.71 0.43 3.52 1.01 -1.13 0.18 120.40 129.13 1tk7 s VAL 27 Ca 0.07 -0.05 -0.18 0.00 0.00 0.00 0.00 61.98 61.83 1tk7 s VAL 27 Cb -0.12 -3.17 -0.10 0.00 0.00 0.00 0.00 36.38 33.00 1tk7 s VAL 27 CO 0.00 0.39 0.90 -0.31 0.00 0.00 0.00 175.10 176.08 1tk7 s TYR 28 N 0.98 3.37 -0.08 5.22 1.51 0.15 0.77 117.35 129.28 1tk7 s TYR 28 Ca 0.05 1.45 0.02 0.00 -1.01 0.00 0.00 57.07 57.58 1tk7 s TYR 28 Cb -0.14 -2.74 0.01 0.00 -0.11 0.00 0.00 41.96 38.98 1tk7 s TYR 28 CO 0.03 -0.13 -0.13 -0.59 -1.11 0.00 0.00 175.55 173.62 1tk7 s PHE 29 N -2.26 1.60 -0.27 2.71 -0.71 0.27 -1.27 117.98 118.05 1tk7 s PHE 29 Ca 0.59 -0.63 -0.03 0.00 -1.04 0.00 0.00 56.93 55.83 1tk7 s PHE 29 Cb -0.10 -1.17 0.09 0.00 -1.21 0.00 0.00 43.02 40.64 1tk7 s PHE 29 CO 0.19 -0.32 0.09 0.08 -1.34 0.00 0.00 175.22 173.93 1tk7 s VAL 30 N 0.73 0.44 -0.16 -2.49 1.01 0.12 0.47 120.40 120.52 1tk7 s VAL 30 Ca -0.13 -0.94 -0.26 0.00 0.00 0.00 0.00 61.98 60.64 1tk7 s VAL 30 Cb -0.16 -1.25 -0.01 0.00 0.00 0.00 0.00 36.38 34.96 1tk7 s VAL 30 CO 0.03 -0.57 0.88 0.21 0.00 0.00 0.00 175.10 175.65 1tk7 s ASN 31 N 1.86 7.03 0.16 3.32 3.84 0.81 -0.46 114.94 131.49 1tk7 s ASN 31 Ca 0.07 1.27 0.19 0.00 0.21 0.00 0.00 52.86 54.59 1tk7 s ASN 31 Cb -0.17 -2.48 -0.03 0.00 -0.55 0.00 0.00 41.25 38.02 1tk7 s ASN 31 CO -0.24 -0.42 1.04 1.12 -2.79 0.00 0.00 177.10 175.80 1tk7 h HIS 32 N 7.28 0.00 -0.39 0.43 2.07 -1.79 0.15 115.15 122.90 1tk7 h HIS 32 Ca -0.29 0.00 -0.11 0.00 -2.85 0.00 0.00 60.37 57.12 1tk7 h HIS 32 Cb 1.13 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 31.10 1tk7 h HIS 32 CO 0.72 0.36 -0.19 -0.22 -3.07 0.00 0.00 177.93 175.53 1tk7 h LYS 33 N 0.00 0.75 0.00 5.12 1.63 -1.91 -3.19 116.57 118.96 1tk7 h LYS 33 Ca -0.08 -0.28 0.00 0.00 -0.85 0.00 0.00 60.65 59.44 1tk7 h LYS 33 Cb 1.34 -0.05 0.00 0.00 -0.60 0.00 0.00 32.23 32.93 1tk7 h LYS 33 CO 0.03 0.88 -0.81 -1.71 -3.45 0.00 0.00 179.45 174.39 1tk7 n ASN 34 N -4.13 0.88 -2.97 4.20 4.05 -1.25 -5.04 115.26 111.00 1tk7 n ASN 34 Ca 0.00 -0.65 -0.03 0.00 0.45 0.00 0.00 54.58 54.36 1tk7 n ASN 34 Cb 0.41 1.12 0.01 0.00 1.23 0.00 0.00 39.78 42.55 1tk7 n ASN 34 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 177.26 174.75 1tk7 n ARG 35 N -1.44 -1.39 -3.72 1.20 5.12 0.39 -5.06 116.66 111.77 1tk7 n ARG 35 Ca 0.01 1.30 -0.12 0.00 -1.93 0.00 0.00 57.85 57.11 1tk7 n ARG 35 Cb 0.23 -5.45 -0.13 0.00 -1.16 0.00 0.00 32.46 25.96 1tk7 n ARG 35 CO 0.00 0.00 0.00 -0.08 -1.93 0.00 0.00 177.63 175.62 1tk7 s THR 36 N -3.07 -0.04 0.06 0.55 -1.32 -0.39 -4.98 115.64 106.45 1tk7 s THR 36 Ca 0.08 0.13 0.09 0.00 -1.21 0.00 0.00 61.69 60.79 1tk7 s THR 36 Cb -0.01 -0.43 -0.03 0.00 -1.51 0.00 0.00 72.50 70.52 1tk7 s THR 36 CO 0.69 0.05 -0.25 0.28 -2.21 0.00 0.00 174.62 173.18 1tk7 s THR 37 N 1.26 2.04 -0.06 5.08 -1.32 -1.26 -0.13 115.64 121.23 1tk7 s THR 37 Ca -0.09 -1.41 -0.23 0.00 -1.21 0.00 0.00 61.69 58.75 1tk7 s THR 37 Cb -0.10 -1.76 0.05 0.00 -1.51 0.00 0.00 72.50 69.18 1tk7 s THR 37 CO -0.09 0.28 0.52 -1.10 -2.21 0.00 0.00 174.62 172.01 1tk7 s GLN 38 N -1.37 0.84 -0.24 7.08 -1.52 0.18 -4.98 119.66 119.66 1tk7 s GLN 38 Ca 0.11 0.18 -0.16 0.00 -1.95 0.00 0.00 55.36 53.53 1tk7 s GLN 38 Cb -0.10 0.39 -0.03 0.00 -0.22 0.00 0.00 33.01 33.05 1tk7 s GLN 38 CO 0.03 -0.23 0.43 -1.58 -0.25 0.00 0.00 175.29 173.69 1tk7 s TRP 39 N -0.99 3.31 0.00 0.91 0.51 -1.26 0.94 118.94 122.36 1tk7 s TRP 39 Ca -0.10 0.58 0.00 0.00 -2.12 0.00 0.00 56.10 54.46 1tk7 s TRP 39 Cb -0.03 -2.60 0.00 0.00 -0.81 0.00 0.00 33.47 30.03 1tk7 s TRP 39 CO 0.06 -0.15 0.00 -1.91 -0.51 0.00 0.00 176.95 174.44 1tk7 n GLU 40 N 5.02 0.00 0.00 4.98 2.13 0.23 -4.97 120.64 128.03 1tk7 n GLU 40 Ca -0.07 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.75 1tk7 n GLU 40 Cb 0.51 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.22 1tk7 n GLU 40 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 1tk7 n ASP 41 N 0.00 0.00 -1.86 4.31 2.03 -1.25 -2.85 116.55 116.93 1tk7 n ASP 41 Ca 0.00 0.00 -0.15 0.00 0.52 0.00 0.00 54.79 55.16 1tk7 n ASP 41 Cb 0.00 0.00 0.03 0.00 -0.72 0.00 0.00 41.12 40.43 1tk7 n ASP 41 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1tk7 n PRO 42 N 0.00 1.72 -3.64 -0.67 -0.05 -1.26 -4.67 135.00 126.43 1tk7 n PRO 42 Ca 0.00 -1.40 -0.06 0.00 -0.05 0.00 0.00 63.50 62.00 1tk7 n PRO 42 Cb 0.00 -1.55 -0.07 0.00 -0.05 0.00 0.00 33.50 31.83 1tk7 n PRO 42 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 175.50 175.95 1tk7 s ARG 43 N -1.60 0.48 -1.32 0.54 3.52 -1.26 0.93 118.95 120.24 1tk7 s ARG 43 Ca 0.28 0.70 -0.01 0.00 -0.13 0.00 0.00 55.73 56.58 1tk7 s ARG 43 Cb 0.22 0.16 0.00 0.00 -1.56 0.00 0.00 34.95 33.77 1tk7 s ARG 43 CO -0.01 -0.08 0.72 2.41 -0.81 0.00 0.00 175.30 177.53 1tk7 n THR 44 N 3.14 -4.35 0.00 4.11 -1.04 -1.25 -4.98 114.28 109.91 1tk7 n THR 44 Ca -0.16 -0.47 0.00 0.00 -2.04 0.00 0.00 64.05 61.38 1tk7 n THR 44 Cb 0.57 -3.74 0.00 0.00 -1.82 0.00 0.00 70.33 65.34 1tk7 n THR 44 CO 0.00 0.00 0.00 1.67 -0.64 0.00 0.00 175.07 176.10 1tk7 n GLN 45 N -4.30 0.45 0.00 -2.82 7.27 -1.26 -5.07 117.38 111.66 1tk7 n GLN 45 Ca -0.28 0.00 0.00 0.00 0.07 0.00 0.00 57.00 56.79 1tk7 n GLN 45 Cb 0.67 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.32 1tk7 n GLN 45 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1tk7 n GLY 46 N 5.00 0.96 0.15 1.69 0.00 -1.18 -4.99 105.19 106.83 1tk7 n GLY 46 Ca 0.00 -0.07 -0.05 0.00 0.00 0.00 0.00 46.02 45.90 1tk7 n GLY 46 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1tk7 h GLN 47 N 0.00 0.18 0.00 1.61 4.20 -1.97 -3.43 115.11 115.70 1tk7 h GLN 47 Ca 0.00 -0.13 0.00 0.00 0.06 0.00 0.00 58.65 58.58 1tk7 h GLN 47 Cb 0.00 0.02 0.00 0.00 0.30 0.00 0.00 27.48 27.80 1tk7 h GLN 47 CO 0.00 0.77 -0.42 -1.91 -0.67 0.00 0.00 178.83 176.60 1tk7 n GLU 48 N -3.82 0.00 0.00 1.46 4.07 -1.26 -5.03 120.64 116.06 1tk7 n GLU 48 Ca -0.02 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.08 1tk7 n GLU 48 Cb 0.65 -0.40 0.00 0.00 -0.06 0.00 0.00 31.44 31.63 1tk7 n GLU 48 CO 0.00 0.00 0.00 1.33 -0.06 0.00 0.00 177.13 178.40 1tk7 n VAL 49 N -2.42 0.00 -2.31 6.31 0.24 -1.26 -3.26 118.33 115.64 1tk7 n VAL 49 Ca 0.00 0.00 -0.01 0.00 -2.04 0.00 0.00 64.34 62.29 1tk7 n VAL 49 Cb 0.21 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.58 1tk7 n VAL 49 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 1tk7 n SER 50 N 0.00 -5.13 -2.70 -1.34 7.64 -1.26 -3.10 113.62 107.74 1tk7 n SER 50 Ca 0.00 0.05 -0.14 0.00 1.01 0.00 0.00 58.87 59.78 1tk7 n SER 50 Cb 0.00 -3.32 0.06 0.00 -1.01 0.00 0.00 64.21 59.94 1tk7 n SER 50 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1tk7 n LEU 51 N -1.15 -3.22 -3.79 -3.43 4.77 -1.26 -4.19 117.00 104.73 1tk7 n LEU 51 Ca 0.02 -0.41 -0.30 0.00 -0.03 0.00 0.00 56.01 55.29 1tk7 n LEU 51 Cb 0.43 -2.32 -0.14 0.00 -2.33 0.00 0.00 43.42 39.07 1tk7 n LEU 51 CO 0.28 0.36 -0.26 -0.63 -1.33 0.00 0.00 177.39 175.81 1tk7 s ILE 52 N -3.24 1.63 -0.91 -0.08 -1.09 -1.26 -5.02 121.20 111.23 1tk7 s ILE 52 Ca 0.20 -2.49 -0.22 0.00 -2.23 0.00 0.00 60.65 55.92 1tk7 s ILE 52 Cb -0.09 -2.16 -0.13 0.00 -1.58 0.00 0.00 42.46 38.50 1tk7 s ILE 52 CO 0.51 -0.81 1.94 0.59 -1.23 0.00 0.00 174.94 175.94 1tk7 n ASN 53 N 3.75 2.78 0.00 3.58 5.03 -1.26 -2.68 115.26 126.46 1tk7 n ASN 53 Ca 0.06 -2.70 0.00 0.00 0.87 0.00 0.00 54.58 52.81 1tk7 n ASN 53 Cb 0.36 -1.30 0.00 0.00 -1.02 0.00 0.00 39.78 37.82 1tk7 n ASN 53 CO 0.00 0.00 0.00 1.21 -1.83 0.00 0.00 177.26 176.64 1tk7 n GLU 54 N 7.30 0.00 -3.25 3.52 2.13 -1.26 -5.10 120.64 123.97 1tk7 n GLU 54 Ca 0.49 0.00 -0.41 0.00 0.66 0.00 0.00 57.16 57.89 1tk7 n GLU 54 Cb 0.42 0.00 -0.08 0.00 0.27 0.00 0.00 31.44 32.05 1tk7 n GLU 54 CO 0.00 0.00 0.00 0.20 -0.41 0.00 0.00 177.13 176.92 1tk7 s GLY 55 N -0.06 1.82 -1.18 8.31 0.00 -1.09 -4.97 107.32 110.15 1tk7 s GLY 55 Ca 0.00 -1.06 -0.08 0.00 0.00 0.00 0.00 44.72 43.58 1tk7 s GLY 55 CO 0.00 1.25 2.40 -1.05 0.00 0.00 0.00 173.10 175.71 1tk7 n PRO 56 N 5.73 2.65 -3.72 2.90 -0.02 -1.26 -4.82 135.00 136.46 1tk7 n PRO 56 Ca -0.05 -1.78 -0.13 0.00 -2.02 0.00 0.00 63.50 59.52 1tk7 n PRO 56 Cb 0.49 -2.63 -0.10 0.00 -0.02 0.00 0.00 33.50 31.24 1tk7 n PRO 56 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1tk7 s LEU 57 N 0.26 0.24 -0.18 2.45 2.96 -1.26 -4.85 118.68 118.31 1tk7 s LEU 57 Ca 0.51 0.92 -0.29 0.00 -0.22 0.00 0.00 54.13 55.05 1tk7 s LEU 57 Cb 0.13 1.58 -0.04 0.00 0.50 0.00 0.00 46.19 48.36 1tk7 s LEU 57 CO -0.04 -0.16 1.79 -2.84 -1.32 0.00 0.00 176.35 173.78 1tk7 s PRO 58 N 0.23 3.73 -0.89 0.98 0.02 -1.26 -4.81 135.00 133.00 1tk7 s PRO 58 Ca -0.00 1.89 -0.24 0.00 0.02 0.00 0.00 61.00 62.67 1tk7 s PRO 58 Cb -0.03 -4.12 0.05 0.00 0.02 0.00 0.00 34.50 30.42 1tk7 s PRO 58 CO 0.01 -1.39 1.32 -2.14 -0.33 0.00 0.00 177.00 174.47 1tk7 s PRO 59 N 4.96 3.42 -0.10 5.54 0.02 -1.26 -3.95 135.00 143.62 1tk7 s PRO 59 Ca 0.80 -0.86 -0.00 0.00 0.02 0.00 0.00 61.00 60.95 1tk7 s PRO 59 Cb -0.29 -4.83 0.00 0.00 0.02 0.00 0.00 34.50 29.40 1tk7 s PRO 59 CO 0.32 -2.12 0.09 0.41 -0.33 0.00 0.00 177.00 175.37 1tk7 n GLY 60 N 6.12 0.66 3.67 0.52 0.00 0.26 -4.81 105.19 111.61 1tk7 n GLY 60 Ca 0.19 -0.54 -0.25 0.00 0.00 0.00 0.00 46.02 45.42 1tk7 n GLY 60 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1tk7 s TRP 61 N -3.03 2.82 0.05 1.61 0.52 -1.25 -3.22 118.94 116.44 1tk7 s TRP 61 Ca 0.03 -0.16 0.06 0.00 0.02 0.00 0.00 56.10 56.04 1tk7 s TRP 61 Cb -0.01 -1.32 -0.02 0.00 -1.15 0.00 0.00 33.47 30.97 1tk7 s TRP 61 CO 0.06 0.55 -0.16 -2.00 0.02 0.00 0.00 176.95 175.42 1tk7 s GLU 62 N -3.28 0.99 -0.16 4.98 2.56 0.24 -4.90 118.70 119.13 1tk7 s GLU 62 Ca 0.29 -0.85 -0.24 0.00 0.00 0.00 0.00 54.97 54.17 1tk7 s GLU 62 Cb -0.08 -1.04 -0.02 0.00 2.00 0.00 0.00 34.13 34.99 1tk7 s GLU 62 CO 0.20 0.25 0.75 0.96 -0.56 0.00 0.00 175.26 176.86 1tk7 s ILE 63 N -0.95 4.95 -0.23 -3.70 -4.36 -1.25 -0.19 121.20 115.46 1tk7 s ILE 63 Ca 0.02 1.47 -0.05 0.00 -0.26 0.00 0.00 60.65 61.83 1tk7 s ILE 63 Cb -0.09 -4.06 -0.01 0.00 1.25 0.00 0.00 42.46 39.55 1tk7 s ILE 63 CO 0.02 0.08 -0.01 -0.60 0.24 0.00 0.00 174.94 174.67 1tk7 s ARG 64 N 1.89 3.39 -0.09 0.37 3.52 0.31 -4.85 118.95 123.48 1tk7 s ARG 64 Ca 0.35 -0.63 -0.11 0.00 -0.13 0.00 0.00 55.73 55.22 1tk7 s ARG 64 Cb -0.16 -3.09 -0.05 0.00 -1.56 0.00 0.00 34.95 30.08 1tk7 s ARG 64 CO 0.13 -0.22 0.26 1.52 -0.81 0.00 0.00 175.30 176.17 1tk7 s TYR 65 N 1.50 3.62 0.03 5.12 -0.85 -1.26 0.75 117.35 126.26 1tk7 s TYR 65 Ca 0.05 0.69 -0.02 0.00 -0.52 0.00 0.00 57.07 57.28 1tk7 s TYR 65 Cb -0.15 -2.13 -0.04 0.00 0.38 0.00 0.00 41.96 40.02 1tk7 s TYR 65 CO -0.02 0.61 0.20 -0.08 -1.52 0.00 0.00 175.55 174.75 1tk7 s THR 66 N -0.75 5.40 0.43 -3.49 -1.32 0.14 -4.93 115.64 111.12 1tk7 s THR 66 Ca 0.18 -0.25 0.31 0.00 -1.21 0.00 0.00 61.69 60.71 1tk7 s THR 66 Cb -0.14 -3.59 0.48 0.00 -1.51 0.00 0.00 72.50 67.74 1tk7 s THR 66 CO 0.07 0.23 1.56 0.00 -2.21 0.00 0.00 174.62 174.27 1tk7 n ALA 67 N 0.62 1.31 0.38 11.08 0.00 -1.26 0.11 120.51 132.75 1tk7 n ALA 67 Ca -0.08 0.89 0.05 0.00 0.00 0.00 0.00 53.44 54.30 1tk7 n ALA 67 Cb 0.52 -1.05 0.23 0.00 0.00 0.00 0.00 19.45 19.15 1tk7 n ALA 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1tk7 n ALA 68 N -2.49 1.50 -0.32 0.00 0.00 -1.26 -4.82 120.51 113.13 1tk7 n ALA 68 Ca 0.40 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.80 1tk7 n ALA 68 Cb 1.52 -1.18 0.00 0.00 0.00 0.00 0.00 19.45 19.79 1tk7 n ALA 68 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1tk7 n GLY 69 N -0.38 1.34 3.70 0.00 0.00 0.31 -5.09 105.19 105.08 1tk7 n GLY 69 Ca 0.03 -0.19 -0.35 0.00 0.00 0.00 0.00 46.02 45.50 1tk7 n GLY 69 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1tk7 s GLU 70 N -1.10 3.94 -0.18 1.61 2.02 -1.14 -4.88 118.70 118.96 1tk7 s GLU 70 Ca 0.00 -0.27 -0.09 0.00 0.02 0.00 0.00 54.97 54.63 1tk7 s GLU 70 Cb 0.00 -3.27 -0.05 0.00 0.10 0.00 0.00 34.13 30.92 1tk7 s GLU 70 CO 0.00 0.37 0.11 -0.98 0.02 0.00 0.00 175.26 174.79 1tk7 s ARG 71 N 0.12 3.99 0.48 1.61 1.70 -1.26 0.24 118.95 125.83 1tk7 s ARG 71 Ca 0.07 -0.23 0.07 0.00 -0.47 0.00 0.00 55.73 55.16 1tk7 s ARG 71 Cb -0.12 -3.32 0.01 0.00 -0.57 0.00 0.00 34.95 30.95 1tk7 s ARG 71 CO -0.00 0.39 0.41 -0.06 -1.08 0.00 0.00 175.30 174.95 1tk7 s PHE 72 N 0.10 2.20 0.03 5.89 0.40 0.23 -4.85 117.98 121.98 1tk7 s PHE 72 Ca 0.08 -0.65 0.00 0.00 -0.60 0.00 0.00 56.93 55.77 1tk7 s PHE 72 Cb -0.11 -2.07 -0.04 0.00 0.51 0.00 0.00 43.02 41.31 1tk7 s PHE 72 CO -0.00 -0.31 0.14 -0.06 0.70 0.00 0.00 175.22 175.68 1tk7 s PHE 73 N -2.61 3.39 -0.08 0.36 0.40 0.25 -0.53 117.98 119.15 1tk7 s PHE 73 Ca 0.44 0.22 -0.03 0.00 -0.60 0.00 0.00 56.93 56.96 1tk7 s PHE 73 Cb -0.02 -1.73 0.04 0.00 0.51 0.00 0.00 43.02 41.81 1tk7 s PHE 73 CO 0.26 0.58 0.10 0.08 0.70 0.00 0.00 175.22 176.93 1tk7 s VAL 74 N -1.36 -0.15 0.15 -0.44 1.01 0.73 -0.62 120.40 119.73 1tk7 s VAL 74 Ca 0.29 0.28 -0.21 0.00 0.00 0.00 0.00 61.98 62.34 1tk7 s VAL 74 Cb -0.12 -0.28 -0.08 0.00 0.00 0.00 0.00 36.38 35.90 1tk7 s VAL 74 CO 0.21 0.07 0.68 -0.62 0.00 0.00 0.00 175.10 175.45 1tk7 s ASP 75 N 2.20 7.17 -0.17 3.32 -1.08 0.16 -0.59 116.67 127.68 1tk7 s ASP 75 Ca 0.04 1.43 0.05 0.00 -0.52 0.00 0.00 52.55 53.55 1tk7 s ASP 75 Cb -0.13 -2.42 -0.14 0.00 -1.46 0.00 0.00 42.92 38.77 1tk7 s ASP 75 CO -0.05 0.18 -0.10 1.41 0.52 0.00 0.00 175.17 177.13 1tk7 n HIS 76 N 1.36 0.00 0.21 -5.34 8.25 -1.20 -1.72 115.22 116.79 1tk7 n HIS 76 Ca -0.06 0.00 0.09 0.00 -0.26 0.00 0.00 57.72 57.49 1tk7 n HIS 76 Cb 0.50 -0.71 0.42 0.00 1.12 0.00 0.00 29.99 31.32 1tk7 n HIS 76 CO 0.00 0.00 0.00 -2.95 0.64 0.00 0.00 176.34 174.03 1tk7 h ASN 77 N 0.00 0.00 0.00 0.41 7.08 -1.89 -2.90 115.58 118.28 1tk7 h ASN 77 Ca -0.41 0.00 -0.04 0.00 -3.08 0.00 0.00 56.30 52.77 1tk7 h ASN 77 Cb 1.72 0.00 -0.01 0.00 -2.08 0.00 0.00 38.32 37.95 1tk7 h ASN 77 CO -0.04 0.26 -1.72 0.41 -2.08 0.00 0.00 177.43 174.26 1tk7 n THR 78 N -3.41 0.14 -2.86 6.14 -1.04 -1.26 -4.74 114.28 107.24 1tk7 n THR 78 Ca 0.00 -0.38 -0.04 0.00 -2.04 0.00 0.00 64.05 61.59 1tk7 n THR 78 Cb 0.45 0.04 0.00 0.00 -1.82 0.00 0.00 70.33 69.01 1tk7 n THR 78 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1tk7 n ARG 79 N -2.09 -2.73 -3.63 -2.82 5.12 -0.82 -5.03 116.66 104.65 1tk7 n ARG 79 Ca -0.06 2.30 -0.11 0.00 -1.93 0.00 0.00 57.85 58.05 1tk7 n ARG 79 Cb 0.47 -4.69 -0.07 0.00 -1.16 0.00 0.00 32.46 27.01 1tk7 n ARG 79 CO 0.00 0.00 0.00 0.50 -1.93 0.00 0.00 177.63 176.20 1tk7 s ARG 80 N -1.83 0.64 0.11 5.56 3.52 -0.70 -4.94 118.95 121.32 1tk7 s ARG 80 Ca 0.08 0.75 0.10 0.00 -0.13 0.00 0.00 55.73 56.53 1tk7 s ARG 80 Cb -0.02 0.31 -0.04 0.00 -1.56 0.00 0.00 34.95 33.65 1tk7 s ARG 80 CO 0.68 -0.08 -0.25 -0.08 -0.81 0.00 0.00 175.30 174.76 1tk7 s THR 81 N 0.27 2.11 -0.23 4.11 -1.32 -1.26 0.40 115.64 119.72 1tk7 s THR 81 Ca 0.02 -1.66 -0.25 0.00 -1.21 0.00 0.00 61.69 58.58 1tk7 s THR 81 Cb -0.05 -1.87 0.07 0.00 -1.51 0.00 0.00 72.50 69.14 1tk7 s THR 81 CO -0.03 0.08 0.69 0.28 -2.21 0.00 0.00 174.62 173.43 1tk7 s THR 82 N -1.05 0.00 0.09 5.08 -1.32 0.21 -4.97 115.64 113.68 1tk7 s THR 82 Ca 0.12 -0.00 -0.14 0.00 -1.21 0.00 0.00 61.69 60.46 1tk7 s THR 82 Cb -0.10 -0.97 -0.15 0.00 -1.51 0.00 0.00 72.50 69.77 1tk7 s THR 82 CO 0.05 -0.00 1.31 2.19 -2.21 0.00 0.00 174.62 175.96 1tk7 h PHE 83 N 4.74 1.00 -4.04 9.09 -5.15 -1.91 0.71 116.94 121.38 1tk7 h PHE 83 Ca -0.29 -0.42 -0.46 0.00 -0.20 0.00 0.00 57.97 56.61 1tk7 h PHE 83 Cb 1.16 -0.16 -0.00 0.00 0.22 0.00 0.00 35.95 37.17 1tk7 h PHE 83 CO 0.39 1.24 0.36 -1.21 -2.00 0.00 0.00 178.31 177.09 1tk7 s GLU 84 N -3.82 4.11 0.46 6.09 2.02 -1.26 -4.52 118.70 121.77 1tk7 s GLU 84 Ca -0.11 1.27 -0.25 0.00 0.02 0.00 0.00 54.97 55.90 1tk7 s GLU 84 Cb 0.08 -2.25 -0.08 0.00 0.10 0.00 0.00 34.13 31.98 1tk7 s GLU 84 CO 0.88 -0.15 1.33 -0.40 0.02 0.00 0.00 175.26 176.95 1tk7 n ASP 85 N -0.58 2.79 0.14 -0.19 5.68 -1.26 -4.73 116.55 118.41 1tk7 n ASP 85 Ca 0.07 1.08 -0.14 0.00 -0.50 0.00 0.00 54.79 55.31 1tk7 n ASP 85 Cb 0.53 -1.55 -0.08 0.00 -1.14 0.00 0.00 41.12 38.88 1tk7 n ASP 85 CO 0.00 0.00 0.00 -0.65 -1.33 0.00 0.00 177.20 175.22 1tk7 h PRO 86 N 2.01 -0.66 -3.35 0.11 0.11 -1.94 -3.45 132.00 124.83 1tk7 h PRO 86 Ca -0.49 0.05 -0.19 0.00 0.11 0.00 0.00 66.00 65.47 1tk7 h PRO 86 Cb 1.29 0.15 -0.27 0.00 0.11 0.00 0.00 31.00 32.28 1tk7 h PRO 86 CO 0.60 -0.44 -0.54 -0.98 -0.21 0.00 0.00 178.00 176.42 1tk7 s ARG 87 N -5.25 0.17 0.00 1.05 1.70 -1.26 -5.11 118.95 110.25 1tk7 s ARG 87 Ca -0.14 0.23 0.30 0.00 -0.47 0.00 0.00 55.73 55.65 1tk7 s ARG 87 Cb 0.04 0.07 1.42 0.00 -0.57 0.00 0.00 34.95 35.91 1tk7 s ARG 87 CO 0.49 -0.03 1.95 -0.35 -1.08 0.00 0.00 175.30 176.28