#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 7.24 0.00 1.61 1.04 -1.26 -4.95 113.70 117.38 1tk7 s SER 2 Ca 0.00 1.47 -0.01 0.00 0.48 0.00 0.00 55.95 57.89 1tk7 s SER 2 Cb 0.00 -2.44 -0.07 0.00 0.10 0.00 0.00 66.02 63.61 1tk7 s SER 2 CO 0.00 0.21 2.00 -2.65 0.98 0.00 0.00 173.24 173.79 1tk7 n PRO 3 N 1.78 1.03 -0.85 4.02 -0.02 -1.26 -4.57 135.00 135.13 1tk7 n PRO 3 Ca -0.07 -0.24 -0.10 0.00 -2.02 0.00 0.00 63.50 61.07 1tk7 n PRO 3 Cb 0.50 -1.35 -0.06 0.00 -0.02 0.00 0.00 33.50 32.57 1tk7 n PRO 3 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1tk7 n GLU 4 N 1.91 1.64 -2.92 -0.52 2.13 -1.26 -4.78 120.64 116.84 1tk7 n GLU 4 Ca 0.10 -0.88 -0.09 0.00 0.66 0.00 0.00 57.16 56.95 1tk7 n GLU 4 Cb 0.50 -1.57 0.01 0.00 0.27 0.00 0.00 31.44 30.64 1tk7 n GLU 4 CO 0.00 0.00 0.00 1.19 -0.41 0.00 0.00 177.13 177.91 1tk7 n PHE 5 N 1.55 -3.31 -1.71 4.31 3.01 -1.26 -4.86 117.46 115.19 1tk7 n PHE 5 Ca 0.25 1.39 -0.43 0.00 1.01 0.00 0.00 57.45 59.67 1tk7 n PHE 5 Cb 0.66 -3.57 -0.01 0.00 -0.01 0.00 0.00 39.48 36.54 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 0.11 2.47 -0.68 1.38 8.25 -1.26 -4.61 115.22 120.87 1tk7 n HIS 6 Ca 0.05 0.44 0.00 0.00 -0.26 0.00 0.00 57.72 57.95 1tk7 n HIS 6 Cb 0.36 -2.48 0.00 0.00 1.12 0.00 0.00 29.99 28.99 1tk7 n HIS 6 CO 0.00 0.00 0.00 -0.12 0.64 0.00 0.00 176.34 176.86 1tk7 n MET 7 N 1.27 -1.91 -0.00 -0.41 0.00 -1.26 -5.05 117.12 109.75 1tk7 n MET 7 Ca 0.07 1.39 -0.00 0.00 -0.00 0.00 0.00 57.70 59.15 1tk7 n MET 7 Cb 0.35 -1.54 -0.00 0.00 0.00 0.00 0.00 33.22 32.03 1tk7 n MET 7 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 175.97 175.57 1tk7 n ASP 8 N -0.31 0.09 0.00 6.12 5.68 -1.26 -5.03 116.55 121.83 1tk7 n ASP 8 Ca 0.00 0.01 0.00 0.00 -0.50 0.00 0.00 54.79 54.30 1tk7 n ASP 8 Cb 0.00 -0.42 0.00 0.00 -1.14 0.00 0.00 41.12 39.56 1tk7 n ASP 8 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1tk7 n ALA 9 N -2.59 0.00 0.00 2.12 0.00 -1.26 -4.91 120.51 113.88 1tk7 n ALA 9 Ca -0.01 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 1tk7 n ALA 9 Cb 0.02 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.48 1tk7 n ALA 9 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1tk7 h LEU 10 N 0.00 0.69 -9.65 0.00 5.85 -1.96 -3.44 115.31 106.79 1tk7 h LEU 10 Ca 0.00 -0.40 -0.53 0.00 0.84 0.00 0.00 57.88 57.79 1tk7 h LEU 10 Cb 0.00 -0.20 0.05 0.00 0.37 0.00 0.00 40.66 40.88 1tk7 h LEU 10 CO 0.00 1.15 0.84 -0.83 -0.34 0.00 0.00 178.44 179.26 1tk7 s GLY 11 N -4.15 1.82 0.36 3.75 0.00 -1.26 -4.95 107.32 102.88 1tk7 s GLY 11 Ca -0.08 1.36 -0.28 0.00 0.00 0.00 0.00 44.72 45.72 1tk7 s GLY 11 CO 0.86 2.52 1.38 -1.05 0.00 0.00 0.00 173.10 176.80 1tk7 n PRO 12 N 3.43 2.36 -0.02 2.90 -0.02 -1.26 -4.71 135.00 137.69 1tk7 n PRO 12 Ca 0.11 0.83 -0.04 0.00 -2.02 0.00 0.00 63.50 62.39 1tk7 n PRO 12 Cb 0.39 -2.48 -0.03 0.00 -0.02 0.00 0.00 33.50 31.37 1tk7 n PRO 12 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1tk7 h LEU 13 N 2.71 -0.07 0.00 2.45 5.85 -1.90 -3.47 115.31 120.88 1tk7 h LEU 13 Ca -0.48 -0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.09 1tk7 h LEU 13 Cb 1.27 0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.31 1tk7 h LEU 13 CO 0.63 0.49 0.00 -2.65 -0.34 0.00 0.00 178.44 176.57 1tk7 n PRO 14 N -4.81 0.00 -2.72 5.25 -0.02 -1.26 -4.97 135.00 126.47 1tk7 n PRO 14 Ca -0.03 0.00 -0.04 0.00 -2.02 0.00 0.00 63.50 61.41 1tk7 n PRO 14 Cb 0.10 0.00 0.04 0.00 -0.02 0.00 0.00 33.50 33.63 1tk7 n PRO 14 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1tk7 n ASP 15 N 0.00 2.02 0.00 2.55 2.03 -1.26 -4.90 116.55 117.00 1tk7 n ASP 15 Ca 0.00 -2.30 0.00 0.00 0.52 0.00 0.00 54.79 53.01 1tk7 n ASP 15 Cb 0.00 -0.46 0.00 0.00 -0.72 0.00 0.00 41.12 39.94 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 -0.58 1.81 3.77 0.27 0.00 -1.26 -4.96 105.19 104.24 1tk7 n GLY 16 Ca 0.12 -0.14 -0.37 0.00 0.00 0.00 0.00 46.02 45.63 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 2.79 -0.40 1.61 0.23 -1.26 -2.72 118.94 119.19 1tk7 s TRP 17 Ca 0.00 1.52 0.01 0.00 -2.03 0.00 0.00 56.10 55.60 1tk7 s TRP 17 Cb 0.00 -3.43 0.14 0.00 0.03 0.00 0.00 33.47 30.21 1tk7 s TRP 17 CO 0.00 -1.69 0.24 -2.00 0.96 0.00 0.00 176.95 174.46 1tk7 s GLU 18 N -2.74 0.92 -0.16 4.98 2.12 0.65 -2.95 118.70 121.52 1tk7 s GLU 18 Ca 0.65 -1.73 -0.18 0.00 0.36 0.00 0.00 54.97 54.07 1tk7 s GLU 18 Cb -0.30 -1.76 -0.04 0.00 0.26 0.00 0.00 34.13 32.29 1tk7 s GLU 18 CO 0.36 -1.21 0.48 -1.59 -0.54 0.00 0.00 175.26 172.76 1tk7 s LYS 19 N 0.61 4.25 -0.11 4.30 0.00 -1.26 -1.46 119.74 126.08 1tk7 s LYS 19 Ca 0.20 0.39 0.00 0.00 0.00 0.00 0.00 55.97 56.56 1tk7 s LYS 19 Cb -0.20 -3.50 0.02 0.00 0.00 0.00 0.00 37.83 34.15 1tk7 s LYS 19 CO -0.02 0.00 -0.09 0.21 0.00 0.00 0.00 175.35 175.45 1tk7 s LYS 20 N 1.14 1.68 0.26 1.78 2.20 0.58 -4.93 119.74 122.44 1tk7 s LYS 20 Ca 0.24 -0.32 -0.30 0.00 -0.36 0.00 0.00 55.97 55.23 1tk7 s LYS 20 Cb -0.15 -1.65 -0.09 0.00 -1.51 0.00 0.00 37.83 34.42 1tk7 s LYS 20 CO 0.10 -0.23 1.21 -1.50 -0.36 0.00 0.00 175.35 174.57 1tk7 s ILE 21 N 1.55 3.27 0.03 5.43 2.07 -1.26 0.06 121.20 132.36 1tk7 s ILE 21 Ca 0.03 1.18 -0.01 0.00 -1.41 0.00 0.00 60.65 60.44 1tk7 s ILE 21 Cb -0.13 -3.75 -0.04 0.00 0.13 0.00 0.00 42.46 38.67 1tk7 s ILE 21 CO -0.07 0.24 0.18 -1.58 -1.91 0.00 0.00 174.94 171.80 1tk7 s GLN 22 N -1.01 3.39 0.00 3.50 2.00 0.40 -4.91 119.66 123.03 1tk7 s GLN 22 Ca 0.50 -0.41 0.02 0.00 -2.00 0.00 0.00 55.36 53.47 1tk7 s GLN 22 Cb -0.35 -3.03 0.12 0.00 0.80 0.00 0.00 33.01 30.55 1tk7 s GLN 22 CO 0.42 0.64 0.95 0.43 -0.50 0.00 0.00 175.29 177.23 1tk7 n SER 23 N 0.61 0.00 0.21 6.67 7.64 -1.26 0.10 113.62 127.58 1tk7 n SER 23 Ca -0.08 0.33 0.10 0.00 1.01 0.00 0.00 58.87 60.22 1tk7 n SER 23 Cb 0.52 -0.35 0.31 0.00 -1.01 0.00 0.00 64.21 63.67 1tk7 n SER 23 CO 0.00 0.00 0.00 -0.78 -3.01 0.00 0.00 175.04 171.25 1tk7 h ASP 24 N 0.00 0.00 0.00 6.43 1.82 -1.98 -3.46 116.42 119.23 1tk7 h ASP 24 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1tk7 h ASP 24 Cb 0.03 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.04 1tk7 h ASP 24 CO 0.00 0.21 0.00 0.59 -1.61 0.00 0.00 179.24 178.43 1tk7 n ASN 25 N -3.24 -0.45 -4.52 2.28 3.02 0.28 -4.93 115.26 107.70 1tk7 n ASN 25 Ca 0.02 0.00 -0.40 0.00 -0.03 0.00 0.00 54.58 54.17 1tk7 n ASN 25 Cb 0.52 -0.16 -0.11 0.00 -0.61 0.00 0.00 39.78 39.41 1tk7 n ASN 25 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1tk7 s ARG 26 N -1.74 3.54 -0.23 3.52 0.52 -1.16 -4.59 118.95 118.81 1tk7 s ARG 26 Ca 0.00 -0.61 -0.28 0.00 -0.52 0.00 0.00 55.73 54.32 1tk7 s ARG 26 Cb 0.00 -3.74 0.01 0.00 0.52 0.00 0.00 34.95 31.74 1tk7 s ARG 26 CO 0.00 -0.40 0.99 0.08 0.02 0.00 0.00 175.30 175.99 1tk7 s VAL 27 N 1.71 4.72 0.40 3.52 1.01 -0.99 -0.45 120.40 130.32 1tk7 s VAL 27 Ca 0.06 1.92 -0.17 0.00 0.00 0.00 0.00 61.98 63.79 1tk7 s VAL 27 Cb -0.17 -4.26 -0.09 0.00 0.00 0.00 0.00 36.38 31.85 1tk7 s VAL 27 CO 0.10 -0.16 0.86 -0.31 0.00 0.00 0.00 175.10 175.60 1tk7 s TYR 28 N 3.12 3.37 -0.02 5.22 1.51 0.11 -0.24 117.35 130.42 1tk7 s TYR 28 Ca 0.42 1.39 0.04 0.00 -1.01 0.00 0.00 57.07 57.91 1tk7 s TYR 28 Cb -0.15 -2.69 -0.01 0.00 -0.11 0.00 0.00 41.96 39.00 1tk7 s TYR 28 CO 0.06 -0.08 -0.13 -0.59 -1.11 0.00 0.00 175.55 173.70 1tk7 s PHE 29 N -2.21 1.19 -0.11 2.71 -0.71 0.33 -0.31 117.98 118.87 1tk7 s PHE 29 Ca 0.58 -0.25 -0.01 0.00 -1.04 0.00 0.00 56.93 56.21 1tk7 s PHE 29 Cb -0.10 -0.78 0.03 0.00 -1.21 0.00 0.00 43.02 40.96 1tk7 s PHE 29 CO 0.19 -0.05 -0.06 0.08 -1.34 0.00 0.00 175.22 174.05 1tk7 s VAL 30 N -0.20 0.90 -0.11 -2.49 1.01 -0.53 -0.42 120.40 118.56 1tk7 s VAL 30 Ca 0.03 -0.22 -0.15 0.00 0.00 0.00 0.00 61.98 61.64 1tk7 s VAL 30 Cb -0.06 -0.96 -0.05 0.00 0.00 0.00 0.00 36.38 35.32 1tk7 s VAL 30 CO -0.00 0.34 0.37 0.21 0.00 0.00 0.00 175.10 176.01 1tk7 s ASN 31 N 1.76 6.59 -0.05 3.32 3.84 0.88 -0.25 114.94 131.04 1tk7 s ASN 31 Ca 0.05 0.70 0.16 0.00 0.21 0.00 0.00 52.86 53.98 1tk7 s ASN 31 Cb -0.13 -2.22 -0.25 0.00 -0.55 0.00 0.00 41.25 38.10 1tk7 s ASN 31 CO -0.08 0.14 0.32 1.41 -2.79 0.00 0.00 177.10 176.10 1tk7 n HIS 32 N 3.11 0.00 -0.06 0.43 8.25 -1.10 -1.16 115.22 124.69 1tk7 n HIS 32 Ca -0.11 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.19 1tk7 n HIS 32 Cb 0.52 -0.45 -0.05 0.00 1.12 0.00 0.00 29.99 31.13 1tk7 n HIS 32 CO 0.00 0.00 0.00 0.87 0.64 0.00 0.00 176.34 177.85 1tk7 h LYS 33 N 0.00 0.86 0.00 -0.41 1.57 -1.93 -3.30 116.57 113.36 1tk7 h LYS 33 Ca -0.07 -0.59 0.00 0.00 -1.87 0.00 0.00 60.65 58.12 1tk7 h LYS 33 Cb 0.98 0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.37 1tk7 h LYS 33 CO 0.00 1.21 -0.98 -1.71 -0.57 0.00 0.00 179.45 177.41 1tk7 n ASN 34 N -3.99 1.00 -2.60 0.86 5.15 -1.26 -5.07 115.26 109.35 1tk7 n ASN 34 Ca -0.05 -0.56 -0.01 0.00 -0.60 0.00 0.00 54.58 53.36 1tk7 n ASN 34 Cb 0.66 1.21 -0.01 0.00 -0.53 0.00 0.00 39.78 41.11 1tk7 n ASN 34 CO 0.00 0.00 0.00 -1.14 1.40 0.00 0.00 177.26 177.52 1tk7 n ARG 35 N -1.54 -3.42 -3.67 1.20 0.63 -0.76 -5.05 116.66 104.05 1tk7 n ARG 35 Ca 0.01 2.73 -0.13 0.00 -0.92 0.00 0.00 57.85 59.54 1tk7 n ARG 35 Cb 0.27 -4.99 -0.08 0.00 0.45 0.00 0.00 32.46 28.10 1tk7 n ARG 35 CO 0.00 0.00 0.00 0.99 -2.51 0.00 0.00 177.63 176.11 1tk7 s THR 36 N -1.34 -0.00 0.05 5.15 2.01 -0.31 -4.93 115.64 116.27 1tk7 s THR 36 Ca -0.05 0.00 0.08 0.00 0.31 0.00 0.00 61.69 62.04 1tk7 s THR 36 Cb 0.00 -0.83 -0.03 0.00 0.01 0.00 0.00 72.50 71.66 1tk7 s THR 36 CO 0.72 0.00 -0.22 -0.89 -0.69 0.00 0.00 174.62 173.55 1tk7 s THR 37 N 0.47 1.77 -0.17 -0.82 2.01 -1.26 -0.08 115.64 117.56 1tk7 s THR 37 Ca -0.01 -1.29 -0.29 0.00 0.31 0.00 0.00 61.69 60.41 1tk7 s THR 37 Cb -0.04 -1.54 0.10 0.00 0.01 0.00 0.00 72.50 71.03 1tk7 s THR 37 CO -0.01 0.20 0.89 -1.10 -0.69 0.00 0.00 174.62 173.90 1tk7 s GLN 38 N -1.30 0.73 -0.08 4.92 -0.21 0.44 -4.97 119.66 119.19 1tk7 s GLN 38 Ca 0.08 0.38 -0.15 0.00 0.02 0.00 0.00 55.36 55.69 1tk7 s GLN 38 Cb -0.09 0.35 -0.05 0.00 1.00 0.00 0.00 33.01 34.22 1tk7 s GLN 38 CO 0.02 -0.19 0.38 1.67 -2.12 0.00 0.00 175.29 175.06 1tk7 s TRP 39 N -0.65 3.59 0.00 0.91 -2.14 -1.26 0.12 118.94 119.51 1tk7 s TRP 39 Ca -0.03 0.83 0.00 0.00 2.66 0.00 0.00 56.10 59.57 1tk7 s TRP 39 Cb -0.02 -2.36 0.00 0.00 -3.10 0.00 0.00 33.47 27.99 1tk7 s TRP 39 CO 0.02 0.41 0.00 -1.91 -2.66 0.00 0.00 176.95 172.81 1tk7 n GLU 40 N 2.82 0.00 0.00 3.25 2.13 0.67 -4.94 120.64 124.57 1tk7 n GLU 40 Ca -0.12 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.70 1tk7 n GLU 40 Cb 0.52 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.23 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 -0.45 4.31 2.03 -1.22 -2.33 116.55 118.88 1tk7 n ASP 41 Ca 0.00 0.00 0.04 0.00 0.52 0.00 0.00 54.79 55.35 1tk7 n ASP 41 Cb 0.00 0.00 0.10 0.00 -0.72 0.00 0.00 41.12 40.50 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 1.57 0.00 -0.67 -0.04 -1.26 -2.19 135.00 132.41 1tk7 n PRO 42 Ca 0.00 -0.85 0.00 0.00 -0.04 0.00 0.00 63.50 62.61 1tk7 n PRO 42 Cb 0.00 -1.20 0.00 0.00 -0.04 0.00 0.00 33.50 32.26 1tk7 n PRO 42 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1tk7 n ARG 43 N 0.19 0.00 -3.12 0.54 5.12 -1.26 -1.85 116.66 116.27 1tk7 n ARG 43 Ca 0.08 0.00 -0.14 0.00 -1.93 0.00 0.00 57.85 55.86 1tk7 n ARG 43 Cb 0.21 0.00 0.06 0.00 -1.16 0.00 0.00 32.46 31.57 1tk7 n ARG 43 CO 0.00 0.00 0.00 2.41 -1.93 0.00 0.00 177.63 178.11 1tk7 n THR 44 N 0.00 -3.14 0.65 0.55 -1.04 -1.26 -4.90 114.28 105.15 1tk7 n THR 44 Ca 0.00 -0.18 0.05 0.00 -2.04 0.00 0.00 64.05 61.88 1tk7 n THR 44 Cb 0.00 -3.74 0.17 0.00 -1.82 0.00 0.00 70.33 64.94 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 -3.38 2.11 -0.64 -2.82 10.64 -1.26 -4.96 117.38 117.07 1tk7 n GLN 45 Ca -0.10 -1.34 0.00 0.00 -1.83 0.00 0.00 57.00 53.73 1tk7 n GLN 45 Cb 0.58 -1.44 0.00 0.00 -0.86 0.00 0.00 30.24 28.52 1tk7 n GLN 45 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1tk7 n GLY 46 N 0.85 -3.56 4.91 2.61 0.00 -1.26 -4.70 105.19 104.04 1tk7 n GLY 46 Ca 0.12 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.42 1tk7 n GLY 46 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1tk7 n GLN 47 N 0.06 0.00 0.00 1.61 6.02 -1.26 -4.83 117.38 118.98 1tk7 n GLN 47 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1tk7 n GLN 47 Cb 0.00 -0.03 0.00 0.00 1.02 0.00 0.00 30.24 31.23 1tk7 n GLN 47 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1tk7 n GLU 48 N 0.00 3.41 0.25 -1.09 -0.58 -1.26 -4.40 120.64 116.97 1tk7 n GLU 48 Ca 0.00 0.00 0.07 0.00 -0.42 0.00 0.00 57.16 56.81 1tk7 n GLU 48 Cb 0.00 0.00 0.39 0.00 -0.57 0.00 0.00 31.44 31.26 1tk7 n GLU 48 CO 0.00 0.00 0.00 -0.39 -0.48 0.00 0.00 177.13 176.26 1tk7 h VAL 49 N 0.00 0.00 -0.99 2.62 -1.51 -1.88 0.13 116.25 114.62 1tk7 h VAL 49 Ca 0.00 0.00 0.23 0.00 -1.23 0.00 0.00 66.70 65.70 1tk7 h VAL 49 Cb 0.00 0.32 -0.09 0.00 -2.13 0.00 0.00 31.29 29.39 1tk7 h VAL 49 CO 0.00 0.00 0.64 0.28 -1.23 0.00 0.00 177.57 177.26 1tk7 h SER 50 N 0.00 0.49 0.00 4.19 0.02 -1.64 -0.87 113.55 115.74 1tk7 h SER 50 Ca 0.00 0.07 -0.04 0.00 -0.84 0.00 0.00 61.79 60.98 1tk7 h SER 50 Cb 1.00 -0.01 -0.08 0.00 0.14 0.00 0.00 62.40 63.45 1tk7 h SER 50 CO 0.00 0.14 -0.47 0.18 -1.14 0.00 0.00 176.83 175.55 1tk7 n LEU 51 N -4.61 1.77 0.10 5.07 4.77 0.45 -4.56 117.00 119.99 1tk7 n LEU 51 Ca 0.23 -2.76 -0.21 0.00 -0.03 0.00 0.00 56.01 53.24 1tk7 n LEU 51 Cb 0.78 -0.30 -0.15 0.00 -2.33 0.00 0.00 43.42 41.42 1tk7 n LEU 51 CO 0.27 0.81 -0.30 0.40 -1.33 0.00 0.00 177.39 177.24 1tk7 h ILE 52 N 3.01 1.21 -0.94 -0.08 1.08 -0.97 -3.40 117.51 117.41 1tk7 h ILE 52 Ca -0.05 -2.74 0.19 0.00 -0.39 0.00 0.00 64.86 61.87 1tk7 h ILE 52 Cb 1.26 2.90 -0.18 0.00 -3.07 0.00 0.00 36.82 37.72 1tk7 h ILE 52 CO 0.02 0.84 -0.25 -1.13 -0.69 0.00 0.00 178.15 176.94 1tk7 h ASN 53 N 0.11 -0.92 0.00 1.72 -1.24 -1.78 0.77 115.58 114.23 1tk7 h ASN 53 Ca -0.25 0.28 0.00 0.00 0.71 0.00 0.00 56.30 57.04 1tk7 h ASN 53 Cb 2.09 0.60 0.00 0.00 0.73 0.00 0.00 38.32 41.73 1tk7 h ASN 53 CO 0.22 -0.31 0.00 -0.62 -1.29 0.00 0.00 177.43 175.43 1tk7 n GLU 54 N -5.59 0.60 -4.01 6.67 -0.58 -1.26 -4.78 120.64 111.69 1tk7 n GLU 54 Ca 0.14 0.00 -0.12 0.00 -0.42 0.00 0.00 57.16 56.77 1tk7 n GLU 54 Cb 0.47 -1.25 -0.04 0.00 -0.57 0.00 0.00 31.44 30.05 1tk7 n GLU 54 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 1tk7 s GLY 55 N 0.31 0.95 -0.80 0.62 0.00 0.26 -5.06 107.32 103.60 1tk7 s GLY 55 Ca 0.00 -1.16 -0.08 0.00 0.00 0.00 0.00 44.72 43.48 1tk7 s GLY 55 CO 0.00 -0.76 1.97 -1.05 0.00 0.00 0.00 173.10 173.27 1tk7 n PRO 56 N -0.49 1.78 -3.55 2.90 -0.02 -1.26 -4.76 135.00 129.60 1tk7 n PRO 56 Ca -0.01 -1.44 -0.16 0.00 -2.02 0.00 0.00 63.50 59.86 1tk7 n PRO 56 Cb 0.61 -2.50 -0.06 0.00 -0.02 0.00 0.00 33.50 31.54 1tk7 n PRO 56 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1tk7 s LEU 57 N 0.28 -0.65 -0.24 2.45 1.43 -1.26 -5.04 118.68 115.65 1tk7 s LEU 57 Ca 0.39 0.84 -0.24 0.00 -1.03 0.00 0.00 54.13 54.10 1tk7 s LEU 57 Cb 0.10 2.45 -0.01 0.00 0.03 0.00 0.00 46.19 48.76 1tk7 s LEU 57 CO 0.00 -0.50 0.79 -2.16 0.23 0.00 0.00 176.35 174.71 1tk7 s PRO 58 N -0.83 4.17 0.07 1.29 0.04 -1.26 -4.48 135.00 134.01 1tk7 s PRO 58 Ca -0.08 0.87 -0.24 0.00 0.04 0.00 0.00 61.00 61.60 1tk7 s PRO 58 Cb -0.01 -3.64 -0.06 0.00 0.04 0.00 0.00 34.50 30.82 1tk7 s PRO 58 CO 0.07 -0.50 0.73 -1.25 0.04 0.00 0.00 177.00 176.09 1tk7 s PRO 59 N 2.77 4.47 -0.81 0.56 0.04 -1.26 -3.95 135.00 136.82 1tk7 s PRO 59 Ca 0.33 1.02 0.00 0.00 0.04 0.00 0.00 61.00 62.39 1tk7 s PRO 59 Cb -0.15 -3.32 0.00 0.00 0.04 0.00 0.00 34.50 31.06 1tk7 s PRO 59 CO 0.08 0.40 0.00 0.41 0.04 0.00 0.00 177.00 177.93 1tk7 n GLY 60 N 2.12 0.43 3.70 0.56 0.00 -0.93 -4.53 105.19 106.53 1tk7 n GLY 60 Ca -0.05 -0.57 -0.24 0.00 0.00 0.00 0.00 46.02 45.16 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 -2.39 2.86 0.09 1.61 0.52 -1.25 -3.82 118.94 116.55 1tk7 s TRP 61 Ca 0.00 -0.16 0.07 0.00 0.02 0.00 0.00 56.10 56.03 1tk7 s TRP 61 Cb 0.00 -1.32 -0.03 0.00 -1.15 0.00 0.00 33.47 30.97 1tk7 s TRP 61 CO 0.00 0.56 -0.18 -1.21 0.02 0.00 0.00 176.95 176.13 1tk7 s GLU 62 N -3.42 1.02 -0.23 4.98 0.41 0.28 -4.88 118.70 116.86 1tk7 s GLU 62 Ca 0.30 -1.08 -0.21 0.00 -0.41 0.00 0.00 54.97 53.57 1tk7 s GLU 62 Cb -0.08 -1.19 -0.02 0.00 -1.78 0.00 0.00 34.13 31.07 1tk7 s GLU 62 CO 0.21 0.27 0.67 0.96 -0.49 0.00 0.00 175.26 176.88 1tk7 s ILE 63 N -1.18 4.97 -0.09 -1.63 -4.36 -1.26 0.05 121.20 117.70 1tk7 s ILE 63 Ca 0.03 1.24 0.02 0.00 -0.26 0.00 0.00 60.65 61.68 1tk7 s ILE 63 Cb -0.10 -3.97 0.01 0.00 1.25 0.00 0.00 42.46 39.65 1tk7 s ILE 63 CO 0.03 0.05 -0.14 -0.60 0.24 0.00 0.00 174.94 174.52 1tk7 s ARG 64 N 2.29 2.05 -0.28 0.37 6.06 -0.38 -4.86 118.95 124.20 1tk7 s ARG 64 Ca 0.29 -0.51 -0.29 0.00 -2.50 0.00 0.00 55.73 52.72 1tk7 s ARG 64 Cb -0.16 -1.74 -0.01 0.00 0.06 0.00 0.00 34.95 33.11 1tk7 s ARG 64 CO 0.09 -0.03 1.39 0.71 -2.50 0.00 0.00 175.30 174.96 1tk7 s TYR 65 N 0.90 2.52 1.07 5.12 1.51 -1.26 0.81 117.35 128.01 1tk7 s TYR 65 Ca -0.09 0.78 -0.12 0.00 -1.01 0.00 0.00 57.07 56.63 1tk7 s TYR 65 Cb -0.15 -3.94 0.22 0.00 -0.11 0.00 0.00 41.96 37.99 1tk7 s TYR 65 CO 0.00 -2.05 1.02 -2.37 -1.11 0.00 0.00 175.55 171.04 1tk7 n THR 66 N 6.28 0.00 0.43 -0.71 5.66 0.75 -4.63 114.28 122.06 1tk7 n THR 66 Ca 0.16 -0.26 0.00 0.00 -3.05 0.00 0.00 64.05 60.90 1tk7 n THR 66 Cb 0.46 -0.97 0.00 0.00 -1.55 0.00 0.00 70.33 68.27 1tk7 n THR 66 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1tk7 n ALA 67 N -4.65 2.00 -0.04 1.79 0.00 -1.26 0.11 120.51 118.46 1tk7 n ALA 67 Ca 0.07 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.47 1tk7 n ALA 67 Cb 0.53 -1.03 -0.06 0.00 0.00 0.00 0.00 19.45 18.90 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 0.82 1.83 0.00 0.00 0.00 -1.26 -4.99 120.51 116.91 1tk7 n ALA 68 Ca 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 53.44 52.96 1tk7 n ALA 68 Cb 0.23 0.09 0.00 0.00 0.00 0.00 0.00 19.45 19.77 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 2.54 1.74 3.23 0.00 0.00 0.29 -5.10 105.19 107.90 1tk7 n GLY 69 Ca -0.12 0.00 -0.40 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 -0.24 2.49 0.13 1.61 2.02 -1.19 -4.81 118.70 118.70 1tk7 s GLU 70 Ca 0.00 -1.62 -0.32 0.00 0.02 0.00 0.00 54.97 53.05 1tk7 s GLU 70 Cb 0.00 -3.81 -0.12 0.00 0.10 0.00 0.00 34.13 30.30 1tk7 s GLU 70 CO 0.00 -1.06 1.78 2.89 0.02 0.00 0.00 175.26 178.88 1tk7 n ARG 71 N 4.88 2.62 -4.01 1.61 0.00 -1.26 -0.17 116.66 120.33 1tk7 n ARG 71 Ca -0.08 0.95 -0.28 0.00 -0.00 0.00 0.00 57.85 58.44 1tk7 n ARG 71 Cb 0.42 -2.81 -0.01 0.00 -0.00 0.00 0.00 32.46 30.06 1tk7 n ARG 71 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.63 177.57 1tk7 s PHE 72 N 2.24 1.51 -0.05 2.89 0.40 0.24 -4.86 117.98 120.34 1tk7 s PHE 72 Ca 0.81 -0.90 -0.04 0.00 -0.60 0.00 0.00 56.93 56.20 1tk7 s PHE 72 Cb -0.54 -1.85 -0.04 0.00 0.51 0.00 0.00 43.02 41.10 1tk7 s PHE 72 CO 0.38 -0.46 0.15 -0.06 0.70 0.00 0.00 175.22 175.93 1tk7 s PHE 73 N -2.82 3.53 -0.09 0.36 0.40 0.84 -1.25 117.98 118.94 1tk7 s PHE 73 Ca 0.28 0.40 -0.02 0.00 -0.60 0.00 0.00 56.93 56.99 1tk7 s PHE 73 Cb -0.02 -1.86 0.04 0.00 0.51 0.00 0.00 43.02 41.69 1tk7 s PHE 73 CO 0.18 0.67 0.05 0.08 0.70 0.00 0.00 175.22 176.89 1tk7 s VAL 74 N -1.19 0.10 -0.08 -0.44 1.01 0.11 0.56 120.40 120.47 1tk7 s VAL 74 Ca 0.22 0.13 -0.26 0.00 0.00 0.00 0.00 61.98 62.06 1tk7 s VAL 74 Cb -0.12 -0.43 -0.03 0.00 0.00 0.00 0.00 36.38 35.80 1tk7 s VAL 74 CO 0.12 0.08 0.84 -0.62 0.00 0.00 0.00 175.10 175.52 1tk7 s ASP 75 N 2.07 7.10 -0.02 3.32 2.15 0.89 -0.55 116.67 131.64 1tk7 s ASP 75 Ca 0.04 1.34 0.16 0.00 0.43 0.00 0.00 52.55 54.52 1tk7 s ASP 75 Cb -0.13 -2.48 -0.19 0.00 -0.30 0.00 0.00 42.92 39.81 1tk7 s ASP 75 CO -0.05 -0.27 0.65 0.00 -0.17 0.00 0.00 175.17 175.33 1tk7 n HIS 76 N 4.37 0.82 -0.03 -5.34 1.44 -1.25 -1.17 115.22 114.07 1tk7 n HIS 76 Ca 0.03 0.29 -0.11 0.00 -2.01 0.00 0.00 57.72 55.92 1tk7 n HIS 76 Cb 0.50 -1.09 0.03 0.00 0.12 0.00 0.00 29.99 29.55 1tk7 n HIS 76 CO 0.00 0.00 0.00 -2.95 -2.81 0.00 0.00 176.34 170.58 1tk7 h ASN 77 N 0.00 0.75 -0.01 4.39 7.08 -1.87 -3.23 115.58 122.69 1tk7 h ASN 77 Ca -0.25 -0.39 0.00 0.00 -3.08 0.00 0.00 56.30 52.58 1tk7 h ASN 77 Cb 1.81 -0.21 0.00 0.00 -2.08 0.00 0.00 38.32 37.84 1tk7 h ASN 77 CO 0.05 1.12 -0.36 1.07 -2.08 0.00 0.00 177.43 177.24 1tk7 n THR 78 N -3.99 0.00 -2.61 6.14 5.66 -1.26 -4.38 114.28 113.83 1tk7 n THR 78 Ca -0.03 -0.32 -0.03 0.00 -3.05 0.00 0.00 64.05 60.62 1tk7 n THR 78 Cb 0.59 1.09 -0.02 0.00 -1.55 0.00 0.00 70.33 70.45 1tk7 n THR 78 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 1tk7 n ARG 79 N -0.58 -3.87 -3.48 1.09 5.12 -0.98 -5.07 116.66 108.89 1tk7 n ARG 79 Ca 0.04 3.01 -0.04 0.00 -1.93 0.00 0.00 57.85 58.94 1tk7 n ARG 79 Cb 0.23 -5.09 -0.06 0.00 -1.16 0.00 0.00 32.46 26.38 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 -1.17 0.46 0.07 5.56 6.06 -0.31 -4.96 118.95 124.65 1tk7 s ARG 80 Ca -0.13 1.05 -0.06 0.00 -2.50 0.00 0.00 55.73 54.09 1tk7 s ARG 80 Cb 0.01 0.38 -0.05 0.00 0.06 0.00 0.00 34.95 35.35 1tk7 s ARG 80 CO 0.76 -0.40 0.33 -0.08 -2.50 0.00 0.00 175.30 173.41 1tk7 s THR 81 N 2.74 5.22 -0.20 4.11 -1.32 -1.26 -0.08 115.64 124.85 1tk7 s THR 81 Ca 0.05 0.17 -0.13 0.00 -1.21 0.00 0.00 61.69 60.57 1tk7 s THR 81 Cb -0.13 -3.61 0.06 0.00 -1.51 0.00 0.00 72.50 67.31 1tk7 s THR 81 CO -0.17 0.24 0.50 -0.89 -2.21 0.00 0.00 174.62 172.09 1tk7 s THR 82 N -1.44 -0.01 -0.14 5.08 2.01 0.19 -4.96 115.64 116.37 1tk7 s THR 82 Ca 0.33 0.05 -0.10 0.00 0.31 0.00 0.00 61.69 62.28 1tk7 s THR 82 Cb -0.13 -0.72 -0.25 0.00 0.01 0.00 0.00 72.50 71.41 1tk7 s THR 82 CO 0.20 0.02 0.32 0.33 -0.69 0.00 0.00 174.62 174.80 1tk7 n PHE 83 N 3.84 1.19 0.35 4.92 7.35 -1.26 -0.11 117.46 133.73 1tk7 n PHE 83 Ca -0.20 0.30 0.00 0.00 -0.76 0.00 0.00 57.45 56.79 1tk7 n PHE 83 Cb 0.56 -1.15 0.00 0.00 0.35 0.00 0.00 39.48 39.25 1tk7 n PHE 83 CO 0.00 0.00 0.00 -0.85 -0.76 0.00 0.00 176.76 175.15 1tk7 n GLU 84 N -3.69 0.78 -1.37 -4.13 0.28 -1.26 -4.81 120.64 106.44 1tk7 n GLU 84 Ca -0.32 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.68 1tk7 n GLU 84 Cb 0.97 -1.11 0.00 0.00 1.43 0.00 0.00 31.44 32.73 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 0.97 -7.50 -0.16 -1.84 9.92 -1.26 -4.64 116.55 112.04 1tk7 n ASP 85 Ca 0.00 1.03 -0.10 0.00 -0.53 0.00 0.00 54.79 55.20 1tk7 n ASP 85 Cb 0.39 -3.73 -0.00 0.00 -0.64 0.00 0.00 41.12 37.14 1tk7 n ASP 85 CO 0.00 0.00 0.00 -0.65 0.13 0.00 0.00 177.20 176.68 1tk7 h PRO 86 N 1.82 0.77 -2.40 -0.24 0.11 -1.90 -3.37 132.00 126.78 1tk7 h PRO 86 Ca 0.00 -0.22 -0.59 0.00 0.11 0.00 0.00 66.00 65.30 1tk7 h PRO 86 Cb 0.00 -0.08 -0.39 0.00 0.11 0.00 0.00 31.00 30.64 1tk7 h PRO 86 CO 0.00 0.80 -0.94 -2.13 -0.21 0.00 0.00 178.00 175.52 1tk7 n ARG 87 N -4.44 0.50 0.00 1.05 0.63 -1.26 -5.09 116.66 108.05 1tk7 n ARG 87 Ca 0.00 -3.37 0.02 0.00 -0.92 0.00 0.00 57.85 53.59 1tk7 n ARG 87 Cb 0.26 -1.70 0.15 0.00 0.45 0.00 0.00 32.46 31.62 1tk7 n ARG 87 CO 0.00 0.00 0.00 -0.35 -2.51 0.00 0.00 177.63 174.77