#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tk7 n SER 2 N 0.00 -6.79 -3.25 1.61 3.41 -1.26 -4.78 113.62 102.56 1tk7 n SER 2 Ca 0.00 0.02 -0.26 0.00 -0.26 0.00 0.00 58.87 58.37 1tk7 n SER 2 Cb 0.00 -3.78 -0.02 0.00 -0.26 0.00 0.00 64.21 60.14 1tk7 n SER 2 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 1tk7 n PRO 3 N -0.85 2.05 -2.61 4.33 -0.04 -1.26 -4.87 135.00 131.75 1tk7 n PRO 3 Ca -0.02 -1.55 -0.42 0.00 -0.04 0.00 0.00 63.50 61.47 1tk7 n PRO 3 Cb 0.57 -2.54 -0.03 0.00 -0.04 0.00 0.00 33.50 31.46 1tk7 n PRO 3 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1tk7 s GLU 4 N 3.60 3.43 -0.03 0.54 0.41 -1.26 -4.96 118.70 120.42 1tk7 s GLU 4 Ca 0.43 0.09 -0.31 0.00 -0.41 0.00 0.00 54.97 54.77 1tk7 s GLU 4 Cb 0.11 -4.05 -0.09 0.00 -1.78 0.00 0.00 34.13 28.32 1tk7 s GLU 4 CO -0.01 -1.73 2.01 1.97 -0.49 0.00 0.00 175.26 177.00 1tk7 n PHE 5 N 8.46 2.38 -3.57 1.61 1.16 -1.26 -0.90 117.46 125.33 1tk7 n PHE 5 Ca 0.07 -0.27 -0.21 0.00 -1.87 0.00 0.00 57.45 55.17 1tk7 n PHE 5 Cb 0.49 -2.77 0.07 0.00 -1.61 0.00 0.00 39.48 35.66 1tk7 n PHE 5 CO 0.00 0.00 0.00 0.72 -1.87 0.00 0.00 176.76 175.61 1tk7 n HIS 6 N 8.13 -2.32 0.00 2.97 8.25 -1.26 -4.80 115.22 126.19 1tk7 n HIS 6 Ca 0.22 0.94 0.00 0.00 -0.26 0.00 0.00 57.72 58.62 1tk7 n HIS 6 Cb 0.39 -4.83 0.00 0.00 1.12 0.00 0.00 29.99 26.67 1tk7 n HIS 6 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1tk7 n MET 7 N -4.43 0.00 -3.63 -0.41 0.00 -0.08 -4.86 117.12 103.71 1tk7 n MET 7 Ca -0.19 0.00 -0.06 0.00 0.00 0.00 0.00 57.70 57.45 1tk7 n MET 7 Cb 0.63 0.00 -0.06 0.00 0.00 0.00 0.00 33.22 33.79 1tk7 n MET 7 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 175.97 176.31 1tk7 s ASP 8 N -2.64 -0.23 0.13 3.17 2.15 -1.26 -4.91 116.67 113.07 1tk7 s ASP 8 Ca 0.00 0.37 -0.09 0.00 0.43 0.00 0.00 52.55 53.27 1tk7 s ASP 8 Cb 0.00 0.35 -0.07 0.00 -0.30 0.00 0.00 42.92 42.90 1tk7 s ASP 8 CO 0.00 -0.13 1.36 0.00 -0.17 0.00 0.00 175.17 176.24 1tk7 h ALA 9 N 3.11 0.43 0.00 3.66 0.00 -2.01 -3.22 119.26 121.22 1tk7 h ALA 9 Ca -0.22 -0.59 -0.00 0.00 0.00 0.00 0.00 54.91 54.10 1tk7 h ALA 9 Cb 1.18 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.93 1tk7 h ALA 9 CO 0.20 0.71 -0.02 -0.07 0.00 0.00 0.00 179.25 180.06 1tk7 h LEU 10 N 0.48 0.00 0.00 0.00 3.38 -1.97 -3.48 115.31 113.72 1tk7 h LEU 10 Ca -0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1tk7 h LEU 10 Cb 1.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.09 1tk7 h LEU 10 CO 0.14 0.02 0.00 0.61 0.09 0.00 0.00 178.44 179.30 1tk7 n GLY 11 N -0.24 2.77 3.75 0.83 0.00 -1.22 -4.13 105.19 106.94 1tk7 n GLY 11 Ca -0.00 0.02 -0.39 0.00 0.00 0.00 0.00 46.02 45.64 1tk7 n GLY 11 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1tk7 n PRO 12 N 8.11 1.98 -0.34 1.61 -0.02 -1.26 -4.88 135.00 140.20 1tk7 n PRO 12 Ca 0.00 0.71 0.00 0.00 -2.02 0.00 0.00 63.50 62.20 1tk7 n PRO 12 Cb 0.00 -2.59 0.06 0.00 -0.02 0.00 0.00 33.50 30.95 1tk7 n PRO 12 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1tk7 h LEU 13 N 1.89 -1.23 -0.79 2.45 3.38 -1.84 0.13 115.31 119.29 1tk7 h LEU 13 Ca -0.51 0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.76 1tk7 h LEU 13 Cb 1.29 0.68 0.00 0.00 0.09 0.00 0.00 40.66 42.72 1tk7 h LEU 13 CO 0.59 -0.30 0.00 -0.65 0.09 0.00 0.00 178.44 178.17 1tk7 h PRO 14 N -0.02 0.00 0.00 1.13 0.11 -1.91 -3.47 132.00 127.84 1tk7 h PRO 14 Ca 0.36 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.47 1tk7 h PRO 14 Cb 0.62 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.73 1tk7 h PRO 14 CO -0.94 0.00 0.00 -3.47 -0.21 0.00 0.00 178.00 173.38 1tk7 n ASP 15 N -2.83 0.00 -0.09 -2.05 2.03 0.44 -4.14 116.55 109.92 1tk7 n ASP 15 Ca 0.02 0.00 -0.14 0.00 0.52 0.00 0.00 54.79 55.19 1tk7 n ASP 15 Cb 0.36 0.00 -0.14 0.00 -0.72 0.00 0.00 41.12 40.62 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 0.00 -0.69 3.99 0.27 0.00 -1.26 -4.87 105.19 102.63 1tk7 n GLY 16 Ca 0.00 -0.23 -0.19 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.52 2.29 -0.14 1.61 0.52 -1.26 -2.55 118.94 116.89 1tk7 s TRP 17 Ca -0.21 -0.54 -0.02 0.00 0.02 0.00 0.00 56.10 55.35 1tk7 s TRP 17 Cb 0.07 -2.27 0.05 0.00 -1.15 0.00 0.00 33.47 30.17 1tk7 s TRP 17 CO 0.73 -0.61 0.02 -2.00 0.02 0.00 0.00 176.95 175.11 1tk7 s GLU 18 N -4.42 0.65 -0.11 4.98 2.12 -0.74 -4.08 118.70 117.10 1tk7 s GLU 18 Ca 0.55 -0.20 0.01 0.00 0.36 0.00 0.00 54.97 55.69 1tk7 s GLU 18 Cb -0.07 -1.63 -0.01 0.00 0.26 0.00 0.00 34.13 32.67 1tk7 s GLU 18 CO 0.34 -0.49 -0.15 -1.59 -0.54 0.00 0.00 175.26 172.82 1tk7 s LYS 19 N 1.91 3.22 -0.11 4.30 -2.85 -1.25 -0.73 119.74 124.21 1tk7 s LYS 19 Ca 0.02 -0.72 0.01 0.00 -1.00 0.00 0.00 55.97 54.28 1tk7 s LYS 19 Cb -0.15 -2.55 0.02 0.00 -2.06 0.00 0.00 37.83 33.09 1tk7 s LYS 19 CO -0.07 0.26 -0.13 0.15 0.10 0.00 0.00 175.35 175.66 1tk7 s LYS 20 N 0.20 2.05 -0.26 1.78 1.02 -0.28 -4.91 119.74 119.35 1tk7 s LYS 20 Ca -0.09 -0.49 -0.14 0.00 0.02 0.00 0.00 55.97 55.27 1tk7 s LYS 20 Cb -0.15 -1.83 -0.04 0.00 -0.52 0.00 0.00 37.83 35.28 1tk7 s LYS 20 CO 0.05 -0.13 0.34 -1.50 -0.92 0.00 0.00 175.35 173.19 1tk7 s ILE 21 N 1.21 5.21 0.09 2.17 1.10 -1.26 -0.01 121.20 129.70 1tk7 s ILE 21 Ca -0.02 0.50 -0.09 0.00 -0.51 0.00 0.00 60.65 60.52 1tk7 s ILE 21 Cb -0.14 -3.66 -0.06 0.00 0.15 0.00 0.00 42.46 38.75 1tk7 s ILE 21 CO -0.04 0.19 0.40 -1.58 -2.11 0.00 0.00 174.94 171.79 1tk7 s GLN 22 N 1.90 3.74 0.07 3.50 2.00 0.14 -4.96 119.66 126.06 1tk7 s GLN 22 Ca 0.14 0.14 0.05 0.00 -2.00 0.00 0.00 55.36 53.69 1tk7 s GLN 22 Cb -0.16 -2.97 0.25 0.00 0.80 0.00 0.00 33.01 30.93 1tk7 s GLN 22 CO 0.10 0.54 1.10 0.43 -0.50 0.00 0.00 175.29 176.96 1tk7 n SER 23 N 0.79 0.12 -0.38 6.67 7.64 -1.26 -0.21 113.62 126.99 1tk7 n SER 23 Ca -0.07 0.52 0.05 0.00 1.01 0.00 0.00 58.87 60.38 1tk7 n SER 23 Cb 0.52 -0.53 0.20 0.00 -1.01 0.00 0.00 64.21 63.39 1tk7 n SER 23 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1tk7 n ASP 24 N -1.63 1.11 0.00 6.43 5.68 -1.26 -4.85 116.55 122.03 1tk7 n ASP 24 Ca -0.00 -1.88 0.00 0.00 -0.50 0.00 0.00 54.79 52.41 1tk7 n ASP 24 Cb 0.06 -0.12 0.00 0.00 -1.14 0.00 0.00 41.12 39.92 1tk7 n ASP 24 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 1tk7 n ASN 25 N 0.06 -2.38 -4.63 -1.12 5.03 0.70 -5.04 115.26 107.87 1tk7 n ASN 25 Ca 0.10 0.00 -0.36 0.00 0.87 0.00 0.00 54.58 55.18 1tk7 n ASN 25 Cb 0.19 -0.40 -0.10 0.00 -1.02 0.00 0.00 39.78 38.46 1tk7 n ASN 25 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 1tk7 s ARG 26 N -1.07 4.01 -0.17 3.52 1.81 -1.10 -4.57 118.95 121.39 1tk7 s ARG 26 Ca 0.00 -0.30 -0.07 0.00 -1.72 0.00 0.00 55.73 53.64 1tk7 s ARG 26 Cb 0.00 -3.47 -0.04 0.00 -0.45 0.00 0.00 34.95 30.99 1tk7 s ARG 26 CO 0.00 0.07 0.06 0.08 -0.68 0.00 0.00 175.30 174.82 1tk7 s VAL 27 N 1.01 4.77 0.12 3.52 1.01 -1.13 0.28 120.40 129.98 1tk7 s VAL 27 Ca 0.07 -0.05 -0.11 0.00 0.00 0.00 0.00 61.98 61.89 1tk7 s VAL 27 Cb -0.14 -3.13 -0.06 0.00 0.00 0.00 0.00 36.38 33.06 1tk7 s VAL 27 CO 0.04 0.49 0.46 -0.31 0.00 0.00 0.00 175.10 175.78 1tk7 s TYR 28 N 0.12 3.57 -0.03 5.22 1.51 0.99 0.27 117.35 128.99 1tk7 s TYR 28 Ca 0.05 0.87 0.03 0.00 -1.01 0.00 0.00 57.07 57.01 1tk7 s TYR 28 Cb -0.12 -2.22 -0.00 0.00 -0.11 0.00 0.00 41.96 39.50 1tk7 s TYR 28 CO 0.01 0.47 -0.13 -0.59 -1.11 0.00 0.00 175.55 174.19 1tk7 s PHE 29 N -1.47 1.34 -0.26 2.71 -0.71 0.11 -1.12 117.98 118.59 1tk7 s PHE 29 Ca 0.36 -0.36 -0.00 0.00 -1.04 0.00 0.00 56.93 55.89 1tk7 s PHE 29 Cb -0.14 -0.92 0.07 0.00 -1.21 0.00 0.00 43.02 40.82 1tk7 s PHE 29 CO 0.19 -0.13 0.01 0.08 -1.34 0.00 0.00 175.22 174.04 1tk7 s VAL 30 N 0.08 1.25 0.34 -2.49 1.01 0.09 0.61 120.40 121.29 1tk7 s VAL 30 Ca -0.03 -1.25 -0.28 0.00 0.00 0.00 0.00 61.98 60.43 1tk7 s VAL 30 Cb -0.10 -1.70 -0.10 0.00 0.00 0.00 0.00 36.38 34.48 1tk7 s VAL 30 CO 0.01 -0.31 1.23 0.21 0.00 0.00 0.00 175.10 176.23 1tk7 s ASN 31 N 1.49 6.79 0.04 3.32 3.84 0.41 -1.79 114.94 129.04 1tk7 s ASN 31 Ca 0.01 2.51 0.23 0.00 0.21 0.00 0.00 52.86 55.81 1tk7 s ASN 31 Cb -0.18 -2.63 -0.04 0.00 -0.55 0.00 0.00 41.25 37.84 1tk7 s ASN 31 CO -0.11 -0.50 0.93 1.41 -2.79 0.00 0.00 177.10 176.04 1tk7 n HIS 32 N 0.66 0.22 -0.06 0.43 8.25 -1.06 -0.90 115.22 122.77 1tk7 n HIS 32 Ca 0.01 0.06 -0.12 0.00 -0.26 0.00 0.00 57.72 57.41 1tk7 n HIS 32 Cb 0.44 -0.41 -0.06 0.00 1.12 0.00 0.00 29.99 31.07 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 0.37 0.00 -0.41 1.57 -1.92 -3.30 116.57 112.88 1tk7 h LYS 33 Ca 0.00 -0.17 0.00 0.00 -1.87 0.00 0.00 60.65 58.61 1tk7 h LYS 33 Cb 0.75 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.05 1tk7 h LYS 33 CO 0.00 0.68 -1.23 0.09 -0.57 0.00 0.00 179.45 178.42 1tk7 n ASN 34 N -4.59 0.91 -3.06 0.86 3.02 -1.26 -5.02 115.26 106.12 1tk7 n ASN 34 Ca -0.05 -0.50 -0.07 0.00 -0.03 0.00 0.00 54.58 53.93 1tk7 n ASN 34 Cb 0.32 1.35 0.03 0.00 -0.61 0.00 0.00 39.78 40.87 1tk7 n ASN 34 CO 0.00 0.00 0.00 -1.14 -2.62 0.00 0.00 177.26 173.50 1tk7 n ARG 35 N -1.71 -1.68 -4.25 3.52 0.63 -0.08 -5.02 116.66 108.08 1tk7 n ARG 35 Ca 0.00 1.14 -0.20 0.00 -0.92 0.00 0.00 57.85 57.88 1tk7 n ARG 35 Cb 0.34 -5.57 -0.16 0.00 0.45 0.00 0.00 32.46 27.53 1tk7 n ARG 35 CO 0.00 0.00 0.00 0.95 -2.51 0.00 0.00 177.63 176.07 1tk7 s THR 36 N -3.18 0.61 0.05 5.15 -4.23 -0.64 -4.92 115.64 108.48 1tk7 s THR 36 Ca 0.21 -0.22 -0.02 0.00 -1.18 0.00 0.00 61.69 60.49 1tk7 s THR 36 Cb -0.03 -0.58 -0.04 0.00 1.34 0.00 0.00 72.50 73.19 1tk7 s THR 36 CO 0.70 0.22 0.23 0.28 -0.54 0.00 0.00 174.62 175.51 1tk7 s THR 37 N 0.53 5.36 0.06 3.99 -1.32 -1.26 -0.44 115.64 122.57 1tk7 s THR 37 Ca -0.07 -0.24 -0.09 0.00 -1.21 0.00 0.00 61.69 60.08 1tk7 s THR 37 Cb -0.11 -3.60 0.00 0.00 -1.51 0.00 0.00 72.50 67.28 1tk7 s THR 37 CO 0.00 0.19 0.20 -1.10 -2.21 0.00 0.00 174.62 171.70 1tk7 s GLN 38 N -2.34 0.77 0.23 7.08 -0.21 0.20 -4.95 119.66 120.45 1tk7 s GLN 38 Ca 0.33 -0.79 -0.03 0.00 0.02 0.00 0.00 55.36 54.90 1tk7 s GLN 38 Cb -0.13 0.32 -0.05 0.00 1.00 0.00 0.00 33.01 34.15 1tk7 s GLN 38 CO 0.24 -0.24 0.45 1.67 -2.12 0.00 0.00 175.29 175.30 1tk7 s TRP 39 N -3.21 3.48 0.00 0.91 -2.14 -1.26 0.03 118.94 116.75 1tk7 s TRP 39 Ca -0.00 0.47 0.00 0.00 2.66 0.00 0.00 56.10 59.23 1tk7 s TRP 39 Cb 0.02 -1.96 0.00 0.00 -3.10 0.00 0.00 33.47 28.43 1tk7 s TRP 39 CO -0.07 0.31 0.00 0.39 -2.66 0.00 0.00 176.95 174.92 1tk7 n GLU 40 N -0.69 0.00 -3.53 3.25 1.02 0.14 -4.87 120.64 115.96 1tk7 n GLU 40 Ca -0.03 0.00 -0.14 0.00 -0.02 0.00 0.00 57.16 56.96 1tk7 n GLU 40 Cb 0.54 0.00 -0.05 0.00 -0.02 0.00 0.00 31.44 31.90 1tk7 n GLU 40 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1tk7 s ASP 41 N -4.00 -0.53 1.20 1.62 -1.08 -1.26 -2.86 116.67 109.76 1tk7 s ASP 41 Ca 0.00 0.51 -0.13 0.00 -0.52 0.00 0.00 52.55 52.41 1tk7 s ASP 41 Cb 0.00 0.45 0.20 0.00 -1.46 0.00 0.00 42.92 42.11 1tk7 s ASP 41 CO 0.00 -0.54 0.45 -2.65 0.52 0.00 0.00 175.17 172.95 1tk7 n PRO 42 N 0.68 -3.19 0.00 4.34 -0.02 -1.26 -3.60 135.00 131.95 1tk7 n PRO 42 Ca -0.15 -0.76 0.00 0.00 -2.02 0.00 0.00 63.50 60.57 1tk7 n PRO 42 Cb 0.58 -1.04 0.00 0.00 -0.02 0.00 0.00 33.50 33.03 1tk7 n PRO 42 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1tk7 n ARG 43 N -3.69 0.00 -1.47 -0.52 1.74 -1.26 -2.79 116.66 108.67 1tk7 n ARG 43 Ca 0.07 0.00 -0.35 0.00 -0.77 0.00 0.00 57.85 56.80 1tk7 n ARG 43 Cb 0.31 0.00 -0.04 0.00 -1.02 0.00 0.00 32.46 31.71 1tk7 n ARG 43 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 1tk7 n THR 44 N 0.00 4.33 0.29 0.55 -1.04 -1.24 -4.60 114.28 112.58 1tk7 n THR 44 Ca 0.00 -2.95 0.17 0.00 -2.04 0.00 0.00 64.05 59.22 1tk7 n THR 44 Cb 0.00 -2.30 0.87 0.00 -1.82 0.00 0.00 70.33 67.08 1tk7 n THR 44 CO 0.00 0.00 0.00 0.06 -0.64 0.00 0.00 175.07 174.49 1tk7 h GLN 45 N 4.46 0.00 0.00 -2.82 3.07 -1.81 -3.46 115.11 114.55 1tk7 h GLN 45 Ca 0.70 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.44 1tk7 h GLN 45 Cb 0.49 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.05 1tk7 h GLN 45 CO 1.42 0.05 0.00 0.41 0.09 0.00 0.00 178.83 180.80 1tk7 n GLY 46 N -0.68 3.73 0.32 0.06 0.00 -1.26 -4.97 105.19 102.39 1tk7 n GLY 46 Ca -0.02 -0.54 0.08 0.00 0.00 0.00 0.00 46.02 45.54 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 0.67 -3.21 1.61 1.08 -1.88 -3.48 115.11 109.90 1tk7 h GLN 47 Ca 0.00 -0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.16 1tk7 h GLN 47 Cb 0.00 -0.15 0.00 0.00 -0.05 0.00 0.00 27.48 27.28 1tk7 h GLN 47 CO 0.00 0.44 -0.48 -1.91 -0.95 0.00 0.00 178.83 175.94 1tk7 n GLU 48 N -4.82 -2.57 0.00 1.46 2.13 -1.26 -4.77 120.64 110.80 1tk7 n GLU 48 Ca 0.18 2.11 0.00 0.00 0.66 0.00 0.00 57.16 60.11 1tk7 n GLU 48 Cb 0.44 -2.48 0.00 0.00 0.27 0.00 0.00 31.44 29.66 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 0.90 0.00 0.00 6.31 0.31 -1.26 -4.92 118.33 119.67 1tk7 n VAL 49 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1tk7 n VAL 49 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 1tk7 n VAL 49 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1tk7 n SER 50 N 9.59 0.00 0.17 4.52 2.88 -1.26 -2.10 113.62 127.42 1tk7 n SER 50 Ca 0.00 0.00 0.02 0.00 -1.33 0.00 0.00 58.87 57.56 1tk7 n SER 50 Cb 0.00 0.00 0.31 0.00 -0.75 0.00 0.00 64.21 63.77 1tk7 n SER 50 CO 0.00 0.00 0.00 0.17 -1.23 0.00 0.00 175.04 173.98 1tk7 h LEU 51 N 0.00 0.00 -0.43 2.46 8.10 -1.91 -2.85 115.31 120.69 1tk7 h LEU 51 Ca 0.00 0.00 0.03 0.00 0.11 0.00 0.00 57.88 58.02 1tk7 h LEU 51 Cb 0.00 0.00 -0.04 0.00 -0.44 0.00 0.00 40.66 40.18 1tk7 h LEU 51 CO 0.00 0.44 0.21 0.40 -4.11 0.00 0.00 178.44 175.38 1tk7 h ILE 52 N 0.00 0.97 -6.96 0.15 2.04 -1.73 -3.46 117.51 108.52 1tk7 h ILE 52 Ca -0.00 -0.15 -0.55 0.00 1.00 0.00 0.00 64.86 65.15 1tk7 h ILE 52 Cb 0.79 0.51 -0.10 0.00 -0.74 0.00 0.00 36.82 37.27 1tk7 h ILE 52 CO 0.06 0.08 -0.90 -3.20 0.00 0.00 0.00 178.15 174.19 1tk7 n ASN 53 N -4.91 -1.41 -3.84 1.72 5.15 -1.08 -0.94 115.26 109.95 1tk7 n ASN 53 Ca 0.02 -1.17 -0.24 0.00 -0.60 0.00 0.00 54.58 52.59 1tk7 n ASN 53 Cb 0.11 -1.43 0.01 0.00 -0.53 0.00 0.00 39.78 37.93 1tk7 n ASN 53 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1tk7 n GLU 54 N -4.47 -4.12 0.00 1.20 -0.58 -1.26 -4.93 120.64 106.49 1tk7 n GLU 54 Ca -0.20 0.51 0.00 0.00 -0.42 0.00 0.00 57.16 57.05 1tk7 n GLU 54 Cb 0.57 -4.87 0.00 0.00 -0.57 0.00 0.00 31.44 26.57 1tk7 n GLU 54 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1tk7 n GLY 55 N -1.77 4.93 0.63 0.62 0.00 -0.12 -4.98 105.19 104.50 1tk7 n GLY 55 Ca -0.29 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 44.92 1tk7 n GLY 55 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1tk7 n PRO 56 N 0.00 0.50 -3.96 1.61 -0.04 -1.26 -4.59 135.00 127.26 1tk7 n PRO 56 Ca 0.00 0.00 -0.37 0.00 -0.04 0.00 0.00 63.50 63.09 1tk7 n PRO 56 Cb 0.00 -1.25 0.01 0.00 -0.04 0.00 0.00 33.50 32.22 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 0.38 -0.35 -4.36 1.53 4.77 -1.26 -3.67 117.00 114.04 1tk7 n LEU 57 Ca 0.00 -1.07 -0.45 0.00 -0.03 0.00 0.00 56.01 54.46 1tk7 n LEU 57 Cb 0.16 -1.35 -0.00 0.00 -2.33 0.00 0.00 43.42 39.90 1tk7 n LEU 57 CO 0.00 0.65 0.81 -2.16 -1.33 0.00 0.00 177.39 175.36 1tk7 s PRO 58 N -6.66 4.08 -1.15 3.23 0.04 -1.26 -4.79 135.00 128.48 1tk7 s PRO 58 Ca 0.34 -2.97 -0.04 0.00 0.04 0.00 0.00 61.00 58.37 1tk7 s PRO 58 Cb -0.19 -4.62 0.24 0.00 0.04 0.00 0.00 34.50 29.98 1tk7 s PRO 58 CO 0.82 -1.34 1.89 -0.35 0.04 0.00 0.00 177.00 178.06 1tk7 n PRO 59 N 3.41 4.72 -2.61 0.56 -0.04 -1.26 -4.54 135.00 135.24 1tk7 n PRO 59 Ca 0.24 -4.17 -0.05 0.00 -0.04 0.00 0.00 63.50 59.48 1tk7 n PRO 59 Cb 0.41 -2.59 0.02 0.00 -0.04 0.00 0.00 33.50 31.30 1tk7 n PRO 59 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1tk7 n GLY 60 N 1.17 0.50 3.53 0.55 0.00 -1.12 -4.72 105.19 105.10 1tk7 n GLY 60 Ca 0.44 -0.43 -0.27 0.00 0.00 0.00 0.00 46.02 45.77 1tk7 n GLY 60 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1tk7 s TRP 61 N -3.08 2.54 0.11 1.61 1.48 -1.26 -2.44 118.94 117.91 1tk7 s TRP 61 Ca 0.09 -0.26 0.07 0.00 -1.06 0.00 0.00 56.10 54.94 1tk7 s TRP 61 Cb -0.04 -1.25 -0.04 0.00 -1.16 0.00 0.00 33.47 30.98 1tk7 s TRP 61 CO 0.17 0.51 -0.16 -2.00 -4.06 0.00 0.00 176.95 171.40 1tk7 s GLU 62 N -2.76 1.05 -0.26 3.25 2.12 0.19 -4.92 118.70 117.37 1tk7 s GLU 62 Ca 0.24 -1.19 -0.19 0.00 0.36 0.00 0.00 54.97 54.18 1tk7 s GLU 62 Cb -0.09 -1.08 -0.02 0.00 0.26 0.00 0.00 34.13 33.20 1tk7 s GLU 62 CO 0.14 0.23 0.56 0.96 -0.54 0.00 0.00 175.26 176.61 1tk7 s ILE 63 N -1.70 5.03 -0.27 -3.70 -4.36 -1.26 0.41 121.20 115.35 1tk7 s ILE 63 Ca 0.07 0.97 -0.16 0.00 -0.26 0.00 0.00 60.65 61.28 1tk7 s ILE 63 Cb -0.07 -3.88 -0.03 0.00 1.25 0.00 0.00 42.46 39.73 1tk7 s ILE 63 CO 0.04 0.05 0.42 -0.60 0.24 0.00 0.00 174.94 175.09 1tk7 s ARG 64 N 2.40 4.00 -0.35 0.37 6.06 0.18 -4.81 118.95 126.81 1tk7 s ARG 64 Ca 0.23 0.10 -0.29 0.00 -2.50 0.00 0.00 55.73 53.27 1tk7 s ARG 64 Cb -0.16 -3.66 -0.00 0.00 0.06 0.00 0.00 34.95 31.19 1tk7 s ARG 64 CO 0.09 -0.32 1.51 0.71 -2.50 0.00 0.00 175.30 174.79 1tk7 s TYR 65 N 2.15 2.27 -0.12 5.12 1.51 -1.26 0.34 117.35 127.35 1tk7 s TYR 65 Ca 0.17 0.67 -0.06 0.00 -1.01 0.00 0.00 57.07 56.84 1tk7 s TYR 65 Cb -0.16 -4.16 -0.04 0.00 -0.11 0.00 0.00 41.96 37.50 1tk7 s TYR 65 CO 0.10 -2.30 0.10 0.99 -1.11 0.00 0.00 175.55 173.32 1tk7 s THR 66 N 5.53 5.13 0.54 -0.71 2.01 0.82 -4.97 115.64 123.99 1tk7 s THR 66 Ca 0.66 0.07 0.47 0.00 0.31 0.00 0.00 61.69 63.20 1tk7 s THR 66 Cb -0.18 -3.23 0.69 0.00 0.01 0.00 0.00 72.50 69.80 1tk7 s THR 66 CO 0.31 0.59 1.48 0.00 -0.69 0.00 0.00 174.62 176.31 1tk7 n ALA 67 N 2.23 1.78 0.75 7.40 0.00 -1.26 0.90 120.51 132.31 1tk7 n ALA 67 Ca -0.19 0.61 0.07 0.00 0.00 0.00 0.00 53.44 53.93 1tk7 n ALA 67 Cb 0.54 -1.06 0.38 0.00 0.00 0.00 0.00 19.45 19.31 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 -2.85 1.89 -0.49 0.00 0.00 -1.26 -4.80 120.51 113.00 1tk7 n ALA 68 Ca 0.42 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.78 1tk7 n ALA 68 Cb 1.92 -1.23 0.00 0.00 0.00 0.00 0.00 19.45 20.14 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 -0.11 0.74 3.81 0.00 0.00 0.26 -5.06 105.19 104.83 1tk7 n GLY 69 Ca 0.08 -0.16 -0.36 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.65 3.68 -0.72 1.61 8.01 -1.06 -4.89 118.70 124.68 1tk7 s GLU 70 Ca 0.00 -0.18 -0.18 0.00 0.01 0.00 0.00 54.97 54.62 1tk7 s GLU 70 Cb 0.00 -3.25 0.13 0.00 -4.31 0.00 0.00 34.13 26.70 1tk7 s GLU 70 CO 0.00 0.60 0.83 1.03 0.01 0.00 0.00 175.26 177.73 1tk7 s ARG 71 N -0.52 3.28 0.87 1.61 0.52 -1.25 -0.12 118.95 123.32 1tk7 s ARG 71 Ca 0.12 -1.60 -0.11 0.00 -0.52 0.00 0.00 55.73 53.62 1tk7 s ARG 71 Cb -0.12 -4.45 0.11 0.00 0.52 0.00 0.00 34.95 31.02 1tk7 s ARG 71 CO 0.02 -1.57 1.09 -0.06 0.02 0.00 0.00 175.30 174.80 1tk7 s PHE 72 N 2.32 2.33 -0.15 -0.53 0.40 0.15 -4.53 117.98 117.97 1tk7 s PHE 72 Ca 0.18 1.36 -0.16 0.00 -0.60 0.00 0.00 56.93 57.71 1tk7 s PHE 72 Cb -0.17 -3.14 -0.04 0.00 0.51 0.00 0.00 43.02 40.18 1tk7 s PHE 72 CO 0.00 -2.29 0.40 0.12 0.70 0.00 0.00 175.22 174.14 1tk7 s PHE 73 N -2.90 3.47 -0.29 0.36 5.36 0.19 0.51 117.98 124.69 1tk7 s PHE 73 Ca 0.63 0.74 0.01 0.00 -0.96 0.00 0.00 56.93 57.35 1tk7 s PHE 73 Cb -0.18 -2.47 0.09 0.00 -0.34 0.00 0.00 43.02 40.12 1tk7 s PHE 73 CO 0.57 0.17 0.04 0.08 -1.46 0.00 0.00 175.22 174.61 1tk7 s VAL 74 N 0.68 1.44 -0.06 3.12 1.01 0.17 -0.55 120.40 126.20 1tk7 s VAL 74 Ca 0.21 -1.58 -0.25 0.00 0.00 0.00 0.00 61.98 60.37 1tk7 s VAL 74 Cb -0.14 -1.96 -0.03 0.00 0.00 0.00 0.00 36.38 34.24 1tk7 s VAL 74 CO 0.07 -0.47 0.76 -0.62 0.00 0.00 0.00 175.10 174.84 1tk7 s ASP 75 N 1.36 7.06 -0.34 3.32 -1.08 -0.57 0.54 116.67 126.97 1tk7 s ASP 75 Ca 0.05 1.27 0.09 0.00 -0.52 0.00 0.00 52.55 53.45 1tk7 s ASP 75 Cb -0.18 -2.44 0.67 0.00 -1.46 0.00 0.00 42.92 39.50 1tk7 s ASP 75 CO -0.14 -0.15 1.74 1.41 0.52 0.00 0.00 175.17 178.54 1tk7 n HIS 76 N 3.85 2.22 -0.12 -5.34 8.25 -1.02 -1.65 115.22 121.40 1tk7 n HIS 76 Ca 0.00 -1.40 -0.23 0.00 -0.26 0.00 0.00 57.72 55.83 1tk7 n HIS 76 Cb 0.51 -0.68 -0.09 0.00 1.12 0.00 0.00 29.99 30.85 1tk7 n HIS 76 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1tk7 n ASN 77 N -0.61 1.85 -0.55 0.41 3.02 -1.26 -4.53 115.26 113.59 1tk7 n ASN 77 Ca 0.42 0.18 0.06 0.00 -0.03 0.00 0.00 54.58 55.21 1tk7 n ASN 77 Cb 1.35 -0.61 0.08 0.00 -0.61 0.00 0.00 39.78 39.99 1tk7 n ASN 77 CO 0.00 0.00 0.00 1.07 -2.62 0.00 0.00 177.26 175.71 1tk7 n THR 78 N -3.83 0.26 -3.18 3.41 5.66 -1.26 -4.96 114.28 110.39 1tk7 n THR 78 Ca -0.46 -0.63 -0.09 0.00 -3.05 0.00 0.00 64.05 59.82 1tk7 n THR 78 Cb 0.86 1.06 0.04 0.00 -1.55 0.00 0.00 70.33 70.74 1tk7 n THR 78 CO 0.00 0.00 0.00 -1.14 -3.05 0.00 0.00 175.07 170.88 1tk7 n ARG 79 N 0.67 -1.90 -4.11 1.09 0.00 -1.06 -5.02 116.66 106.34 1tk7 n ARG 79 Ca 0.09 1.10 -0.21 0.00 -0.00 0.00 0.00 57.85 58.82 1tk7 n ARG 79 Cb 0.34 -5.80 -0.17 0.00 0.00 0.00 0.00 32.46 26.83 1tk7 n ARG 79 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.63 178.13 1tk7 s ARG 80 N -3.88 0.89 0.02 -0.14 6.06 -0.66 -5.00 118.95 116.25 1tk7 s ARG 80 Ca 0.29 -0.10 -0.01 0.00 -2.50 0.00 0.00 55.73 53.41 1tk7 s ARG 80 Cb -0.04 -0.94 -0.04 0.00 0.06 0.00 0.00 34.95 33.99 1tk7 s ARG 80 CO 0.74 -0.12 0.18 -0.08 -2.50 0.00 0.00 175.30 173.52 1tk7 s THR 81 N 1.13 5.32 0.02 4.11 -1.32 -1.25 -1.51 115.64 122.13 1tk7 s THR 81 Ca -0.08 -0.30 -0.28 0.00 -1.21 0.00 0.00 61.69 59.82 1tk7 s THR 81 Cb -0.14 -3.53 0.07 0.00 -1.51 0.00 0.00 72.50 67.40 1tk7 s THR 81 CO -0.01 0.25 0.66 -0.89 -2.21 0.00 0.00 174.62 172.42 1tk7 s THR 82 N -1.39 0.00 -0.03 5.08 2.01 0.28 -4.95 115.64 116.64 1tk7 s THR 82 Ca 0.30 0.00 -0.20 0.00 0.31 0.00 0.00 61.69 62.09 1tk7 s THR 82 Cb -0.13 -1.00 -0.14 0.00 0.01 0.00 0.00 72.50 71.24 1tk7 s THR 82 CO 0.22 0.00 0.89 -0.26 -0.69 0.00 0.00 174.62 174.77 1tk7 h PHE 83 N 2.67 -0.33 -0.55 4.92 -1.00 -1.95 0.55 116.94 121.25 1tk7 h PHE 83 Ca -0.29 -0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.48 1tk7 h PHE 83 Cb 1.20 0.11 0.00 0.00 3.61 0.00 0.00 35.95 40.86 1tk7 h PHE 83 CO 0.33 0.02 0.00 -0.85 -1.61 0.00 0.00 178.31 176.20 1tk7 n GLU 84 N -5.03 3.55 0.00 1.51 0.28 -1.26 -4.33 120.64 115.36 1tk7 n GLU 84 Ca -0.08 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.92 1tk7 n GLU 84 Cb 0.25 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.12 1tk7 n GLU 84 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 1tk7 n ASP 85 N 0.00 0.00 -4.73 -1.84 2.03 -1.26 -4.70 116.55 106.04 1tk7 n ASP 85 Ca 0.00 0.00 -0.42 0.00 0.52 0.00 0.00 54.79 54.89 1tk7 n ASP 85 Cb 0.00 0.00 -0.00 0.00 -0.72 0.00 0.00 41.12 40.40 1tk7 n ASP 85 CO 0.00 0.00 0.00 -2.65 -1.92 0.00 0.00 177.20 172.63 1tk7 n PRO 86 N 0.00 2.38 -1.91 -0.67 -0.02 -1.26 -4.90 135.00 128.62 1tk7 n PRO 86 Ca 0.00 0.84 -0.42 0.00 -2.02 0.00 0.00 63.50 61.90 1tk7 n PRO 86 Cb 0.00 -2.49 -0.03 0.00 -0.02 0.00 0.00 33.50 30.96 1tk7 n PRO 86 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 1tk7 s ARG 87 N -1.88 4.21 0.00 -0.52 3.52 -1.24 -5.01 118.95 118.02 1tk7 s ARG 87 Ca 0.55 2.40 0.08 0.00 -0.13 0.00 0.00 55.73 58.63 1tk7 s ARG 87 Cb -0.53 -3.12 0.46 0.00 -1.56 0.00 0.00 34.95 30.20 1tk7 s ARG 87 CO 0.62 -0.57 0.92 -2.30 -0.81 0.00 0.00 175.30 173.15