#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 7.02 0.44 1.61 0.01 -1.26 -5.00 113.70 116.52 1tk7 s SER 2 Ca 0.00 2.19 -0.24 0.00 1.31 0.00 0.00 55.95 59.20 1tk7 s SER 2 Cb 0.00 -2.59 -0.08 0.00 0.21 0.00 0.00 66.02 63.56 1tk7 s SER 2 CO 0.00 -0.47 1.24 -2.16 0.41 0.00 0.00 173.24 172.26 1tk7 s PRO 3 N 0.49 3.78 -0.02 12.44 0.04 -1.26 -4.89 135.00 145.58 1tk7 s PRO 3 Ca 0.57 1.99 -0.01 0.00 0.04 0.00 0.00 61.00 63.59 1tk7 s PRO 3 Cb -0.33 -2.55 -0.01 0.00 0.04 0.00 0.00 34.50 31.66 1tk7 s PRO 3 CO 0.33 -0.59 2.13 0.39 0.04 0.00 0.00 177.00 179.30 1tk7 n GLU 4 N -0.27 1.12 -3.45 4.56 -0.58 -1.26 -4.75 120.64 116.02 1tk7 n GLU 4 Ca 0.06 -0.17 -0.11 0.00 -0.42 0.00 0.00 57.16 56.52 1tk7 n GLU 4 Cb 0.46 -1.11 -0.02 0.00 -0.57 0.00 0.00 31.44 30.19 1tk7 n GLU 4 CO 0.00 0.00 0.00 0.12 -0.48 0.00 0.00 177.13 176.77 1tk7 s PHE 5 N -0.02 -0.50 -1.36 -0.32 5.36 -1.26 -4.94 117.98 114.94 1tk7 s PHE 5 Ca 0.07 0.29 -0.01 0.00 -0.96 0.00 0.00 56.93 56.32 1tk7 s PHE 5 Cb 0.04 0.56 0.00 0.00 -0.34 0.00 0.00 43.02 43.28 1tk7 s PHE 5 CO -0.00 -0.83 0.18 0.72 -1.46 0.00 0.00 175.22 173.83 1tk7 n HIS 6 N -0.37 -1.08 -0.01 10.12 8.25 -1.26 -4.92 115.22 125.95 1tk7 n HIS 6 Ca -0.16 0.15 -0.13 0.00 -0.26 0.00 0.00 57.72 57.33 1tk7 n HIS 6 Cb 0.64 -3.53 -0.10 0.00 1.12 0.00 0.00 29.99 28.12 1tk7 n HIS 6 CO 0.00 0.00 0.00 1.98 0.64 0.00 0.00 176.34 178.96 1tk7 h MET 7 N -0.41 0.00 -1.41 -0.41 -1.53 -1.92 -3.35 114.93 105.91 1tk7 h MET 7 Ca -0.41 -0.00 -0.48 0.00 -3.44 0.00 0.00 59.70 55.38 1tk7 h MET 7 Cb 1.29 0.00 -0.41 0.00 -0.55 0.00 0.00 31.60 31.93 1tk7 h MET 7 CO 0.46 0.47 -0.98 -0.25 0.14 0.00 0.00 176.91 176.75 1tk7 n ASP 8 N -4.86 2.80 -0.93 1.39 8.00 -1.26 -4.90 116.55 116.78 1tk7 n ASP 8 Ca -0.08 -3.19 0.00 0.00 0.71 0.00 0.00 54.79 52.23 1tk7 n ASP 8 Cb 0.24 -0.52 0.00 0.00 -0.02 0.00 0.00 41.12 40.82 1tk7 n ASP 8 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1tk7 n ALA 9 N -0.19 2.46 0.01 2.24 0.00 -1.26 -3.24 120.51 120.53 1tk7 n ALA 9 Ca 0.23 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.48 1tk7 n ALA 9 Cb 0.71 -1.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.02 1tk7 n ALA 9 CO 0.00 0.00 0.00 1.37 0.00 0.00 0.00 177.50 178.87 1tk7 h LEU 10 N 0.90 0.35 0.56 0.00 -0.00 -1.93 -3.40 115.31 111.80 1tk7 h LEU 10 Ca 0.00 -0.78 -0.03 0.00 -0.00 0.00 0.00 57.88 57.07 1tk7 h LEU 10 Cb 0.90 -0.11 0.01 0.00 -0.00 0.00 0.00 40.66 41.45 1tk7 h LEU 10 CO 0.00 1.70 -0.27 1.23 -0.00 0.00 0.00 178.44 181.10 1tk7 h GLY 11 N 1.52 -0.79 -5.68 0.17 0.00 -2.00 -3.36 103.07 92.93 1tk7 h GLY 11 Ca -0.39 0.29 -0.56 0.00 0.00 0.00 0.00 47.33 46.67 1tk7 h GLY 11 CO 0.09 -0.29 1.11 2.56 0.00 0.00 0.00 176.54 180.02 1tk7 s PRO 12 N -4.33 3.97 -0.87 4.80 0.04 -1.26 -3.78 135.00 133.56 1tk7 s PRO 12 Ca -0.13 1.92 -0.03 0.00 0.04 0.00 0.00 61.00 62.80 1tk7 s PRO 12 Cb 0.01 -4.01 -0.04 0.00 0.04 0.00 0.00 34.50 30.50 1tk7 s PRO 12 CO 0.40 -1.09 0.79 1.28 0.04 0.00 0.00 177.00 178.42 1tk7 n LEU 13 N 7.87 -5.99 -0.01 -3.56 4.77 -1.01 -4.96 117.00 114.12 1tk7 n LEU 13 Ca 0.18 -0.41 -0.16 0.00 -0.03 0.00 0.00 56.01 55.59 1tk7 n LEU 13 Cb 0.44 -3.16 -0.06 0.00 -2.33 0.00 0.00 43.42 38.32 1tk7 n LEU 13 CO 0.63 -0.43 0.26 -0.65 -1.33 0.00 0.00 177.39 175.88 1tk7 h PRO 14 N -0.38 0.73 0.00 3.23 0.11 -1.66 -3.45 132.00 130.58 1tk7 h PRO 14 Ca -0.33 -0.61 0.00 0.00 0.11 0.00 0.00 66.00 65.18 1tk7 h PRO 14 Cb 1.17 0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.41 1tk7 h PRO 14 CO 0.36 1.22 0.00 -3.47 -0.21 0.00 0.00 178.00 175.90 1tk7 n ASP 15 N -3.91 0.00 0.00 -2.05 2.03 -1.26 -5.02 116.55 106.34 1tk7 n ASP 15 Ca -0.07 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.24 1tk7 n ASP 15 Cb 0.75 0.03 0.00 0.00 -0.72 0.00 0.00 41.12 41.19 1tk7 n ASP 15 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1tk7 n GLY 16 N -1.03 0.00 3.76 0.27 0.00 -1.26 -4.91 105.19 102.02 1tk7 n GLY 16 Ca 0.00 -0.01 -0.36 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.29 2.58 -0.10 1.61 0.52 -1.26 -2.09 118.94 118.90 1tk7 s TRP 17 Ca 0.00 1.51 -0.01 0.00 0.02 0.00 0.00 56.10 57.62 1tk7 s TRP 17 Cb 0.00 -3.46 0.03 0.00 -1.15 0.00 0.00 33.47 28.89 1tk7 s TRP 17 CO 0.00 -1.98 -0.04 -2.00 0.02 0.00 0.00 176.95 172.96 1tk7 s GLU 18 N -3.06 1.08 -0.17 4.98 2.12 -0.11 -2.39 118.70 121.14 1tk7 s GLU 18 Ca 0.71 -0.10 -0.03 0.00 0.36 0.00 0.00 54.97 55.91 1tk7 s GLU 18 Cb -0.30 -1.32 -0.02 0.00 0.26 0.00 0.00 34.13 32.75 1tk7 s GLU 18 CO 0.35 -0.30 -0.05 -1.59 -0.54 0.00 0.00 175.26 173.13 1tk7 s LYS 19 N 1.83 3.54 -0.12 4.30 -2.85 -1.26 -0.55 119.74 124.64 1tk7 s LYS 19 Ca 0.05 -0.57 0.00 0.00 -1.00 0.00 0.00 55.97 54.45 1tk7 s LYS 19 Cb -0.13 -2.92 0.02 0.00 -2.06 0.00 0.00 37.83 32.75 1tk7 s LYS 19 CO -0.07 0.09 -0.11 0.21 0.10 0.00 0.00 175.35 175.58 1tk7 s LYS 20 N 0.75 1.82 0.14 1.78 2.20 -0.09 -4.88 119.74 121.45 1tk7 s LYS 20 Ca -0.02 -0.38 -0.28 0.00 -0.36 0.00 0.00 55.97 54.93 1tk7 s LYS 20 Cb -0.15 -1.73 -0.07 0.00 -1.51 0.00 0.00 37.83 34.38 1tk7 s LYS 20 CO 0.02 -0.20 0.87 -1.50 -0.36 0.00 0.00 175.35 174.17 1tk7 s ILE 21 N 1.45 4.42 0.11 5.43 2.07 -1.26 0.21 121.20 133.63 1tk7 s ILE 21 Ca 0.01 1.89 0.02 0.00 -1.41 0.00 0.00 60.65 61.16 1tk7 s ILE 21 Cb -0.13 -4.24 -0.04 0.00 0.13 0.00 0.00 42.46 38.18 1tk7 s ILE 21 CO -0.07 0.42 0.22 -1.10 -1.91 0.00 0.00 174.94 172.51 1tk7 s GLN 22 N -0.56 3.34 0.48 3.50 -1.52 0.34 -4.95 119.66 120.28 1tk7 s GLN 22 Ca 0.41 -0.57 0.25 0.00 -1.95 0.00 0.00 55.36 53.49 1tk7 s GLN 22 Cb -0.23 -2.94 1.35 0.00 -0.22 0.00 0.00 33.01 30.96 1tk7 s GLN 22 CO 0.28 0.55 1.72 0.77 -0.25 0.00 0.00 175.29 178.37 1tk7 h SER 23 N 2.61 0.00 1.25 5.90 0.02 -1.98 0.69 113.55 122.05 1tk7 h SER 23 Ca -0.47 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.48 1tk7 h SER 23 Cb 1.18 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.72 1tk7 h SER 23 CO 0.71 0.00 0.00 -0.78 -1.14 0.00 0.00 176.83 175.62 1tk7 h ASP 24 N 0.00 0.00 0.00 3.07 3.58 -2.03 -3.46 116.42 117.58 1tk7 h ASP 24 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1tk7 h ASP 24 Cb 0.40 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.45 1tk7 h ASP 24 CO 0.00 0.00 0.00 -3.20 -2.88 0.00 0.00 179.24 173.16 1tk7 n ASN 25 N -2.42 -0.94 -4.51 2.28 5.15 0.24 -5.06 115.26 110.00 1tk7 n ASN 25 Ca 0.04 0.00 -0.39 0.00 -0.60 0.00 0.00 54.58 53.63 1tk7 n ASN 25 Cb 0.36 -0.30 -0.11 0.00 -0.53 0.00 0.00 39.78 39.21 1tk7 n ASN 25 CO 0.00 0.00 0.00 -0.60 1.40 0.00 0.00 177.26 178.06 1tk7 s ARG 26 N -2.33 3.53 -0.09 1.20 3.52 -1.17 -4.87 118.95 118.74 1tk7 s ARG 26 Ca 0.00 -0.61 -0.22 0.00 -0.13 0.00 0.00 55.73 54.77 1tk7 s ARG 26 Cb 0.00 -3.70 -0.04 0.00 -1.56 0.00 0.00 34.95 29.65 1tk7 s ARG 26 CO 0.00 -0.38 0.65 0.08 -0.81 0.00 0.00 175.30 174.84 1tk7 s VAL 27 N 1.70 5.07 0.28 7.11 1.01 -1.22 -0.51 120.40 133.84 1tk7 s VAL 27 Ca 0.06 1.33 -0.12 0.00 0.00 0.00 0.00 61.98 63.25 1tk7 s VAL 27 Cb -0.17 -3.99 -0.08 0.00 0.00 0.00 0.00 36.38 32.14 1tk7 s VAL 27 CO 0.09 0.26 0.63 -0.31 0.00 0.00 0.00 175.10 175.77 1tk7 s TYR 28 N 0.85 3.41 0.01 5.22 1.51 0.13 -0.10 117.35 128.37 1tk7 s TYR 28 Ca 0.35 1.01 0.05 0.00 -1.01 0.00 0.00 57.07 57.46 1tk7 s TYR 28 Cb -0.17 -2.37 -0.02 0.00 -0.11 0.00 0.00 41.96 39.29 1tk7 s TYR 28 CO 0.16 0.18 -0.14 -0.06 -1.11 0.00 0.00 175.55 174.58 1tk7 s PHE 29 N -1.92 1.23 -0.22 2.71 0.40 -0.10 -0.91 117.98 119.17 1tk7 s PHE 29 Ca 0.50 -0.28 -0.02 0.00 -0.60 0.00 0.00 56.93 56.53 1tk7 s PHE 29 Cb -0.11 -0.77 0.07 0.00 0.51 0.00 0.00 43.02 42.72 1tk7 s PHE 29 CO 0.20 0.00 0.04 0.08 0.70 0.00 0.00 175.22 176.25 1tk7 s VAL 30 N -0.54 0.62 -0.17 -0.44 1.01 0.29 -1.46 120.40 119.71 1tk7 s VAL 30 Ca 0.04 -0.74 -0.20 0.00 0.00 0.00 0.00 61.98 61.08 1tk7 s VAL 30 Cb -0.06 -1.18 -0.03 0.00 0.00 0.00 0.00 36.38 35.10 1tk7 s VAL 30 CO 0.00 -0.30 0.56 0.21 0.00 0.00 0.00 175.10 175.57 1tk7 s ASN 31 N 1.80 6.66 0.09 3.32 3.84 -0.06 -0.94 114.94 129.65 1tk7 s ASN 31 Ca 0.01 0.80 0.22 0.00 0.21 0.00 0.00 52.86 54.10 1tk7 s ASN 31 Cb -0.17 -2.32 -0.08 0.00 -0.55 0.00 0.00 41.25 38.13 1tk7 s ASN 31 CO -0.12 -0.17 0.88 0.00 -2.79 0.00 0.00 177.10 174.91 1tk7 n HIS 32 N 4.55 0.46 -0.04 0.43 1.44 -0.89 -1.62 115.22 119.55 1tk7 n HIS 32 Ca -0.04 0.13 -0.13 0.00 -2.01 0.00 0.00 57.72 55.68 1tk7 n HIS 32 Cb 0.50 -0.65 -0.08 0.00 0.12 0.00 0.00 29.99 29.88 1tk7 n HIS 32 CO 0.00 0.00 0.00 0.87 -2.81 0.00 0.00 176.34 174.40 1tk7 h LYS 33 N 0.00 0.23 -0.01 -1.40 1.57 -1.91 -3.30 116.57 111.75 1tk7 h LYS 33 Ca 0.00 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 58.66 1tk7 h LYS 33 Cb 0.91 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.22 1tk7 h LYS 33 CO 0.00 0.64 -0.53 0.09 -0.57 0.00 0.00 179.45 179.09 1tk7 n ASN 34 N -4.67 1.30 -2.76 0.86 4.13 -1.26 -5.05 115.26 107.81 1tk7 n ASN 34 Ca -0.07 -1.15 -0.02 0.00 1.68 0.00 0.00 54.58 55.03 1tk7 n ASN 34 Cb 0.32 0.69 0.00 0.00 -1.54 0.00 0.00 39.78 39.25 1tk7 n ASN 34 CO 0.00 0.00 0.00 -1.14 0.28 0.00 0.00 177.26 176.40 1tk7 n ARG 35 N -0.64 -3.25 -3.63 3.52 0.63 -0.68 -5.07 116.66 107.54 1tk7 n ARG 35 Ca 0.05 2.64 -0.14 0.00 -0.92 0.00 0.00 57.85 59.48 1tk7 n ARG 35 Cb 0.31 -5.32 -0.07 0.00 0.45 0.00 0.00 32.46 27.83 1tk7 n ARG 35 CO 0.00 0.00 0.00 -0.08 -2.51 0.00 0.00 177.63 175.04 1tk7 s THR 36 N -1.78 0.00 0.05 5.15 -1.32 -0.64 -4.97 115.64 112.12 1tk7 s THR 36 Ca 0.04 -0.02 0.05 0.00 -1.21 0.00 0.00 61.69 60.56 1tk7 s THR 36 Cb -0.01 -0.91 -0.04 0.00 -1.51 0.00 0.00 72.50 70.03 1tk7 s THR 36 CO 0.77 -0.01 -0.10 -0.89 -2.21 0.00 0.00 174.62 172.17 1tk7 s THR 37 N 0.04 3.36 -0.12 5.08 2.01 -1.25 -0.88 115.64 123.88 1tk7 s THR 37 Ca -0.02 -1.03 -0.08 0.00 0.31 0.00 0.00 61.69 60.87 1tk7 s THR 37 Cb -0.04 -2.49 0.04 0.00 0.01 0.00 0.00 72.50 70.03 1tk7 s THR 37 CO 0.02 0.29 0.30 -1.10 -0.69 0.00 0.00 174.62 173.44 1tk7 s GLN 38 N -1.68 0.30 0.11 4.92 -1.52 -0.53 -4.94 119.66 116.31 1tk7 s GLN 38 Ca 0.18 0.55 -0.18 0.00 -1.95 0.00 0.00 55.36 53.96 1tk7 s GLN 38 Cb -0.11 0.00 -0.07 0.00 -0.22 0.00 0.00 33.01 32.62 1tk7 s GLN 38 CO 0.09 -0.12 0.58 1.67 -0.25 0.00 0.00 175.29 177.26 1tk7 s TRP 39 N 0.90 3.73 0.00 0.91 -2.14 -1.26 -0.92 118.94 120.15 1tk7 s TRP 39 Ca -0.06 1.22 0.00 0.00 2.66 0.00 0.00 56.10 59.92 1tk7 s TRP 39 Cb -0.07 -2.47 0.00 0.00 -3.10 0.00 0.00 33.47 27.83 1tk7 s TRP 39 CO -0.06 0.51 0.00 0.39 -2.66 0.00 0.00 176.95 175.13 1tk7 n GLU 40 N 1.31 0.00 -3.62 3.25 4.71 0.85 -4.54 120.64 122.61 1tk7 n GLU 40 Ca -0.08 0.00 -0.07 0.00 -0.01 0.00 0.00 57.16 57.00 1tk7 n GLU 40 Cb 0.51 0.00 -0.06 0.00 -1.01 0.00 0.00 31.44 30.88 1tk7 n GLU 40 CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 1tk7 s ASP 41 N 0.00 -0.27 -0.99 1.62 -1.08 -1.26 -3.41 116.67 111.28 1tk7 s ASP 41 Ca 0.00 0.43 -0.20 0.00 -0.52 0.00 0.00 52.55 52.26 1tk7 s ASP 41 Cb 0.00 0.40 -0.10 0.00 -1.46 0.00 0.00 42.92 41.77 1tk7 s ASP 41 CO 0.00 -0.16 1.99 -2.65 0.52 0.00 0.00 175.17 174.87 1tk7 n PRO 42 N 1.36 1.91 -0.66 4.34 -0.02 -1.26 -4.53 135.00 136.13 1tk7 n PRO 42 Ca -0.09 -2.14 -0.07 0.00 -2.02 0.00 0.00 63.50 59.18 1tk7 n PRO 42 Cb 0.57 -3.10 -0.10 0.00 -0.02 0.00 0.00 33.50 30.85 1tk7 n PRO 42 CO 0.00 0.00 0.00 2.89 1.98 0.00 0.00 175.50 180.37 1tk7 n ARG 43 N 6.95 1.33 -4.08 -0.52 1.85 -1.26 -4.62 116.66 116.30 1tk7 n ARG 43 Ca 0.50 -0.59 -0.33 0.00 -1.00 0.00 0.00 57.85 56.43 1tk7 n ARG 43 Cb 0.41 -1.72 -0.00 0.00 -1.05 0.00 0.00 32.46 30.10 1tk7 n ARG 43 CO 0.00 0.00 0.00 2.41 -0.01 0.00 0.00 177.63 180.03 1tk7 n THR 44 N 2.43 -1.55 0.00 8.89 -1.04 -1.26 -2.35 114.28 119.39 1tk7 n THR 44 Ca 0.25 -0.03 0.00 0.00 -2.04 0.00 0.00 64.05 62.23 1tk7 n THR 44 Cb 0.62 -2.22 0.00 0.00 -1.82 0.00 0.00 70.33 66.90 1tk7 n THR 44 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1tk7 n GLN 45 N -4.51 0.00 -0.07 -2.82 10.64 -1.26 -1.41 117.38 117.95 1tk7 n GLN 45 Ca 0.05 0.00 -0.15 0.00 -1.83 0.00 0.00 57.00 55.07 1tk7 n GLN 45 Cb 0.51 0.00 -0.04 0.00 -0.86 0.00 0.00 30.24 29.85 1tk7 n GLN 45 CO 0.00 0.00 0.00 0.78 -1.83 0.00 0.00 177.06 176.01 1tk7 h GLY 46 N 0.00 0.94 0.56 2.61 0.00 -2.02 -3.30 103.07 101.85 1tk7 h GLY 46 Ca 0.00 -1.12 0.06 0.00 0.00 0.00 0.00 47.33 46.27 1tk7 h GLY 46 CO 0.00 1.01 0.13 1.46 0.00 0.00 0.00 176.54 179.14 1tk7 h GLN 47 N 0.65 0.28 -5.75 4.80 1.08 -1.55 -3.47 115.11 111.14 1tk7 h GLN 47 Ca 0.00 -0.02 -0.25 0.00 -1.45 0.00 0.00 58.65 56.94 1tk7 h GLN 47 Cb 1.19 -0.06 0.09 0.00 -0.05 0.00 0.00 27.48 28.65 1tk7 h GLN 47 CO 0.13 0.18 -0.66 -1.91 -0.95 0.00 0.00 178.83 175.62 1tk7 n GLU 48 N -5.04 -1.63 0.00 1.46 2.13 -0.50 -4.93 120.64 112.13 1tk7 n GLU 48 Ca 0.03 0.92 0.00 0.00 0.66 0.00 0.00 57.16 58.78 1tk7 n GLU 48 Cb 0.18 -5.04 0.00 0.00 0.27 0.00 0.00 31.44 26.85 1tk7 n GLU 48 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 1tk7 n VAL 49 N -3.03 0.00 -0.09 6.31 0.31 -1.26 -4.78 118.33 115.80 1tk7 n VAL 49 Ca -0.08 0.00 -0.09 0.00 -0.01 0.00 0.00 64.34 64.17 1tk7 n VAL 49 Cb 0.58 -0.13 -0.01 0.00 -0.91 0.00 0.00 33.84 33.37 1tk7 n VAL 49 CO 0.00 0.00 0.00 -1.28 -1.32 0.00 0.00 176.83 174.23 1tk7 h SER 50 N 0.00 0.33 -0.21 4.52 0.87 -1.90 1.00 113.55 118.15 1tk7 h SER 50 Ca 0.00 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1tk7 h SER 50 Cb 0.00 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 61.88 1tk7 h SER 50 CO 0.00 0.24 0.00 0.18 -0.53 0.00 0.00 176.83 176.72 1tk7 n LEU 51 N -4.89 2.10 -0.00 2.23 4.77 -1.26 -2.61 117.00 117.33 1tk7 n LEU 51 Ca -0.01 -1.06 0.05 0.00 -0.03 0.00 0.00 56.01 54.97 1tk7 n LEU 51 Cb 0.03 -0.41 -0.08 0.00 -2.33 0.00 0.00 43.42 40.63 1tk7 n LEU 51 CO 0.34 0.36 -0.59 -0.38 -1.33 0.00 0.00 177.39 175.79 1tk7 n ILE 52 N 0.21 0.00 0.07 -0.08 2.08 0.14 -3.49 119.36 118.29 1tk7 n ILE 52 Ca 0.09 -0.25 -0.04 0.00 0.56 0.00 0.00 62.75 63.11 1tk7 n ILE 52 Cb 0.43 0.30 0.18 0.00 -0.75 0.00 0.00 39.64 39.80 1tk7 n ILE 52 CO 0.00 0.00 0.00 -1.13 0.56 0.00 0.00 176.55 175.98 1tk7 h ASN 53 N 0.00 0.34 0.00 4.38 -1.24 -0.74 -3.33 115.58 114.98 1tk7 h ASN 53 Ca 0.00 -0.15 -0.06 0.00 0.71 0.00 0.00 56.30 56.80 1tk7 h ASN 53 Cb 0.48 -0.09 -0.12 0.00 0.73 0.00 0.00 38.32 39.32 1tk7 h ASN 53 CO 0.00 0.74 -0.51 -0.62 -1.29 0.00 0.00 177.43 175.75 1tk7 n GLU 54 N -4.00 0.00 -3.71 6.67 1.02 -1.26 -5.06 120.64 114.30 1tk7 n GLU 54 Ca -0.02 -1.05 -0.37 0.00 -0.02 0.00 0.00 57.16 55.71 1tk7 n GLU 54 Cb 0.51 -0.14 -0.09 0.00 -0.02 0.00 0.00 31.44 31.69 1tk7 n GLU 54 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1tk7 s GLY 55 N -1.05 2.52 -0.16 0.62 0.00 -1.23 -4.90 107.32 103.13 1tk7 s GLY 55 Ca 0.09 -3.28 0.01 0.00 0.00 0.00 0.00 44.72 41.54 1tk7 s GLY 55 CO -0.04 1.11 1.41 -1.55 0.00 0.00 0.00 173.10 174.02 1tk7 n PRO 56 N 3.47 1.43 0.04 2.90 -0.04 -1.26 -4.13 135.00 137.41 1tk7 n PRO 56 Ca 0.08 -0.99 0.00 0.00 -0.04 0.00 0.00 63.50 62.56 1tk7 n PRO 56 Cb 0.38 -1.39 0.00 0.00 -0.04 0.00 0.00 33.50 32.45 1tk7 n PRO 56 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1tk7 n LEU 57 N 0.08 -0.50 -3.10 1.53 4.77 -1.26 -4.77 117.00 113.75 1tk7 n LEU 57 Ca 0.20 0.15 -0.35 0.00 -0.03 0.00 0.00 56.01 55.98 1tk7 n LEU 57 Cb 0.83 0.71 0.01 0.00 -2.33 0.00 0.00 43.42 42.63 1tk7 n LEU 57 CO 0.21 -0.43 0.92 -0.81 -1.33 0.00 0.00 177.39 175.94 1tk7 n PRO 58 N -2.69 3.92 -0.91 3.23 -0.04 -1.26 -4.55 135.00 132.70 1tk7 n PRO 58 Ca 0.00 -4.43 -0.11 0.00 -0.04 0.00 0.00 63.50 58.92 1tk7 n PRO 58 Cb 0.00 -2.33 -0.09 0.00 -0.04 0.00 0.00 33.50 31.04 1tk7 n PRO 58 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 1tk7 n PRO 59 N -0.29 1.75 -1.57 0.54 -0.05 -1.26 -4.44 135.00 129.68 1tk7 n PRO 59 Ca 0.43 -0.94 -0.07 0.00 -0.05 0.00 0.00 63.50 62.87 1tk7 n PRO 59 Cb 0.36 -1.70 -0.02 0.00 -0.05 0.00 0.00 33.50 32.08 1tk7 n PRO 59 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 175.50 175.86 1tk7 n GLY 60 N 1.82 0.58 3.76 0.55 0.00 -1.26 -4.78 105.19 105.86 1tk7 n GLY 60 Ca 0.30 -0.68 -0.23 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 -2.29 2.76 -0.02 1.61 0.52 -1.26 -4.52 118.94 115.73 1tk7 s TRP 61 Ca 0.00 -0.35 0.05 0.00 0.02 0.00 0.00 56.10 55.82 1tk7 s TRP 61 Cb 0.00 -1.65 -0.01 0.00 -1.15 0.00 0.00 33.47 30.66 1tk7 s TRP 61 CO 0.00 0.32 -0.17 -2.00 0.02 0.00 0.00 176.95 175.12 1tk7 s GLU 62 N -3.87 1.53 -0.12 4.98 2.12 -0.23 -4.65 118.70 118.46 1tk7 s GLU 62 Ca 0.38 -0.62 -0.29 0.00 0.36 0.00 0.00 54.97 54.80 1tk7 s GLU 62 Cb -0.03 -1.42 -0.01 0.00 0.26 0.00 0.00 34.13 32.92 1tk7 s GLU 62 CO 0.23 0.33 1.12 0.96 -0.54 0.00 0.00 175.26 177.37 1tk7 s ILE 63 N -0.27 4.50 -0.27 -3.70 -4.36 -1.25 -0.24 121.20 115.61 1tk7 s ILE 63 Ca 0.03 1.80 -0.07 0.00 -0.26 0.00 0.00 60.65 62.15 1tk7 s ILE 63 Cb -0.08 -4.16 -0.01 0.00 1.25 0.00 0.00 42.46 39.46 1tk7 s ILE 63 CO 0.00 -0.06 0.07 -0.60 0.24 0.00 0.00 174.94 174.60 1tk7 s ARG 64 N 2.58 3.38 -0.19 0.37 3.00 0.50 -4.85 118.95 123.74 1tk7 s ARG 64 Ca 0.51 -0.66 -0.11 0.00 -1.00 0.00 0.00 55.73 54.47 1tk7 s ARG 64 Cb -0.20 -3.34 -0.05 0.00 0.00 0.00 0.00 34.95 31.35 1tk7 s ARG 64 CO 0.16 -0.31 0.17 1.52 0.00 0.00 0.00 175.30 176.84 1tk7 s TYR 65 N 1.56 3.42 0.10 5.12 -0.85 -1.25 0.23 117.35 125.67 1tk7 s TYR 65 Ca 0.05 0.39 -0.06 0.00 -0.52 0.00 0.00 57.07 56.92 1tk7 s TYR 65 Cb -0.16 -2.21 -0.05 0.00 0.38 0.00 0.00 41.96 39.92 1tk7 s TYR 65 CO 0.03 0.27 0.37 0.95 -1.52 0.00 0.00 175.55 175.65 1tk7 s THR 66 N 0.40 5.17 0.51 -3.49 -4.23 0.31 -4.92 115.64 109.39 1tk7 s THR 66 Ca 0.10 0.17 0.40 0.00 -1.18 0.00 0.00 61.69 61.18 1tk7 s THR 66 Cb -0.11 -3.62 0.61 0.00 1.34 0.00 0.00 72.50 70.71 1tk7 s THR 66 CO -0.01 0.16 1.65 0.00 -0.54 0.00 0.00 174.62 175.89 1tk7 h ALA 67 N 3.26 3.28 0.00 3.99 0.00 -1.98 0.90 119.26 128.72 1tk7 h ALA 67 Ca -0.47 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1tk7 h ALA 67 Cb 1.18 0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1tk7 h ALA 67 CO 0.70 -1.81 0.00 0.00 0.00 0.00 0.00 179.25 178.14 1tk7 n ALA 68 N -2.75 1.50 -0.35 0.00 0.00 -1.26 -4.83 120.51 112.83 1tk7 n ALA 68 Ca 0.37 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.80 1tk7 n ALA 68 Cb 1.61 -1.22 0.00 0.00 0.00 0.00 0.00 19.45 19.84 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 -0.35 1.39 3.69 0.00 0.00 0.31 -5.09 105.19 105.14 1tk7 n GLY 69 Ca 0.02 -0.20 -0.35 0.00 0.00 0.00 0.00 46.02 45.49 1tk7 n GLY 69 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1tk7 s GLU 70 N -1.22 4.03 -0.21 1.61 2.56 -1.15 -4.89 118.70 119.42 1tk7 s GLU 70 Ca 0.00 -0.28 -0.11 0.00 0.00 0.00 0.00 54.97 54.59 1tk7 s GLU 70 Cb 0.00 -3.30 -0.05 0.00 2.00 0.00 0.00 34.13 32.78 1tk7 s GLU 70 CO 0.00 0.32 0.17 1.03 -0.56 0.00 0.00 175.26 176.22 1tk7 s ARG 71 N 0.26 4.15 0.55 4.30 3.00 -1.26 -0.53 118.95 129.42 1tk7 s ARG 71 Ca 0.06 -0.20 0.05 0.00 0.00 0.00 0.00 55.73 55.64 1tk7 s ARG 71 Cb -0.12 -3.47 0.04 0.00 0.00 0.00 0.00 34.95 31.40 1tk7 s ARG 71 CO -0.01 0.18 0.36 -0.06 0.00 0.00 0.00 175.30 175.77 1tk7 s PHE 72 N 0.70 1.55 0.12 -0.53 0.40 0.13 -4.86 117.98 115.49 1tk7 s PHE 72 Ca 0.09 -0.89 0.04 0.00 -0.60 0.00 0.00 56.93 55.57 1tk7 s PHE 72 Cb -0.12 -1.85 -0.04 0.00 0.51 0.00 0.00 43.02 41.52 1tk7 s PHE 72 CO 0.02 -0.43 0.12 -0.06 0.70 0.00 0.00 175.22 175.57 1tk7 s PHE 73 N -2.81 3.19 -0.04 0.36 0.08 0.30 -0.37 117.98 118.69 1tk7 s PHE 73 Ca 0.28 0.04 -0.02 0.00 0.12 0.00 0.00 56.93 57.35 1tk7 s PHE 73 Cb -0.02 -1.57 0.03 0.00 -0.57 0.00 0.00 43.02 40.89 1tk7 s PHE 73 CO 0.18 0.52 0.05 0.08 -0.10 0.00 0.00 175.22 175.95 1tk7 s VAL 74 N -1.58 -0.05 -0.05 -0.44 1.01 0.67 -0.42 120.40 119.54 1tk7 s VAL 74 Ca 0.30 0.37 0.02 0.00 0.00 0.00 0.00 61.98 62.67 1tk7 s VAL 74 Cb -0.11 -0.19 -0.03 0.00 0.00 0.00 0.00 36.38 36.05 1tk7 s VAL 74 CO 0.23 0.18 -0.08 1.51 0.00 0.00 0.00 175.10 176.94 1tk7 s ASP 75 N 2.01 4.54 0.00 3.32 1.47 -0.04 -1.07 116.67 126.91 1tk7 s ASP 75 Ca 0.03 -0.07 0.25 0.00 1.18 0.00 0.00 52.55 53.94 1tk7 s ASP 75 Cb -0.12 -1.10 0.51 0.00 -0.34 0.00 0.00 42.92 41.87 1tk7 s ASP 75 CO -0.03 0.34 1.41 0.00 0.68 0.00 0.00 175.17 177.57 1tk7 n HIS 76 N 2.10 0.00 -0.06 2.11 1.44 -1.26 -1.61 115.22 117.94 1tk7 n HIS 76 Ca -0.17 0.00 -0.14 0.00 -2.01 0.00 0.00 57.72 55.40 1tk7 n HIS 76 Cb 0.53 -0.16 -0.07 0.00 0.12 0.00 0.00 29.99 30.40 1tk7 n HIS 76 CO 0.00 0.00 0.00 -0.91 -2.81 0.00 0.00 176.34 172.62 1tk7 h ASN 77 N 0.61 0.55 -0.01 4.39 2.35 -1.95 -3.30 115.58 118.22 1tk7 h ASN 77 Ca 0.00 -0.54 0.00 0.00 -0.55 0.00 0.00 56.30 55.21 1tk7 h ASN 77 Cb 0.52 -0.16 0.00 0.00 0.05 0.00 0.00 38.32 38.73 1tk7 h ASN 77 CO 0.00 0.99 -0.31 0.41 -1.65 0.00 0.00 177.43 176.87 1tk7 n THR 78 N -4.37 0.00 -3.07 2.81 -1.04 -1.26 -5.02 114.28 102.33 1tk7 n THR 78 Ca -0.06 -0.35 -0.12 0.00 -2.04 0.00 0.00 64.05 61.48 1tk7 n THR 78 Cb 0.47 1.10 0.05 0.00 -1.82 0.00 0.00 70.33 70.13 1tk7 n THR 78 CO 0.00 0.00 0.00 -1.14 -0.64 0.00 0.00 175.07 173.29 1tk7 n ARG 79 N -0.49 -1.92 -4.61 -2.82 0.00 -0.95 -5.02 116.66 100.84 1tk7 n ARG 79 Ca 0.04 0.88 -0.23 0.00 -0.00 0.00 0.00 57.85 58.55 1tk7 n ARG 79 Cb 0.22 -5.44 -0.15 0.00 0.00 0.00 0.00 32.46 27.09 1tk7 n ARG 79 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 1tk7 s ARG 80 N -4.08 1.17 0.07 -0.14 0.52 -0.63 -4.98 118.95 110.87 1tk7 s ARG 80 Ca 0.36 -0.63 0.05 0.00 -0.52 0.00 0.00 55.73 54.99 1tk7 s ARG 80 Cb -0.05 -1.15 -0.04 0.00 0.52 0.00 0.00 34.95 34.23 1tk7 s ARG 80 CO 0.67 0.31 -0.08 -0.08 0.02 0.00 0.00 175.30 176.15 1tk7 s THR 81 N -0.52 3.54 -0.05 0.02 -1.32 -1.26 -0.86 115.64 115.19 1tk7 s THR 81 Ca 0.05 -1.06 -0.29 0.00 -1.21 0.00 0.00 61.69 59.18 1tk7 s THR 81 Cb -0.07 -2.62 0.10 0.00 -1.51 0.00 0.00 72.50 68.41 1tk7 s THR 81 CO 0.00 0.21 0.84 0.28 -2.21 0.00 0.00 174.62 173.74 1tk7 s THR 82 N -1.15 0.00 0.17 5.08 -1.32 0.44 -4.95 115.64 113.91 1tk7 s THR 82 Ca 0.20 0.00 -0.13 0.00 -1.21 0.00 0.00 61.69 60.55 1tk7 s THR 82 Cb -0.11 -1.00 0.07 0.00 -1.51 0.00 0.00 72.50 69.95 1tk7 s THR 82 CO 0.12 0.00 1.79 0.15 -2.21 0.00 0.00 174.62 174.47 1tk7 h PHE 83 N 2.48 0.78 0.00 9.09 3.57 -1.93 0.87 116.94 131.81 1tk7 h PHE 83 Ca -0.23 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.25 1tk7 h PHE 83 Cb 1.19 -0.25 0.00 0.00 2.79 0.00 0.00 35.95 39.68 1tk7 h PHE 83 CO 0.30 0.56 0.00 -0.85 -2.23 0.00 0.00 178.31 176.09 1tk7 n GLU 84 N -4.61 0.00 0.00 1.11 0.28 -1.26 -4.23 120.64 111.94 1tk7 n GLU 84 Ca 0.03 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.03 1tk7 n GLU 84 Cb 0.08 0.00 0.00 0.00 1.43 0.00 0.00 31.44 32.95 1tk7 n GLU 84 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1tk7 n ASP 85 N 0.00 0.00 0.02 -1.84 9.92 -1.26 -4.64 116.55 118.75 1tk7 n ASP 85 Ca 0.00 0.00 -0.10 0.00 -0.53 0.00 0.00 54.79 54.16 1tk7 n ASP 85 Cb 0.00 0.00 -0.08 0.00 -0.64 0.00 0.00 41.12 40.40 1tk7 n ASP 85 CO 0.00 0.00 0.00 1.55 0.13 0.00 0.00 177.20 178.88 1tk7 h PRO 86 N 0.00 -0.15 -2.25 -0.24 0.13 -1.99 -3.47 132.00 124.03 1tk7 h PRO 86 Ca 0.00 0.01 -0.04 0.00 -0.87 0.00 0.00 66.00 65.10 1tk7 h PRO 86 Cb 0.00 0.03 -0.23 0.00 0.13 0.00 0.00 31.00 30.94 1tk7 h PRO 86 CO 0.00 0.31 -0.07 0.50 -0.23 0.00 0.00 178.00 178.51 1tk7 s ARG 87 N -3.02 0.62 0.00 0.86 3.52 -1.26 -5.13 118.95 114.54 1tk7 s ARG 87 Ca -0.12 1.00 0.19 0.00 -0.13 0.00 0.00 55.73 56.67 1tk7 s ARG 87 Cb -0.00 0.15 1.14 0.00 -1.56 0.00 0.00 34.95 34.68 1tk7 s ARG 87 CO 0.45 -0.13 1.53 -0.35 -0.81 0.00 0.00 175.30 175.99