#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rk7 s THR 2 N 0.00 -0.70 -0.12 0.00 2.01 -1.24 -5.03 115.64 110.55 1rk7 s THR 2 Ca 0.00 -0.79 -0.03 0.00 0.31 0.00 0.00 61.69 61.18 1rk7 s THR 2 Cb 0.00 -0.29 -0.03 0.00 0.01 0.00 0.00 72.50 72.19 1rk7 s THR 2 CO 0.00 -0.27 -0.01 -0.75 -0.69 0.00 0.00 174.62 172.90 1rk7 s LYS 3 N 1.29 3.37 0.31 4.92 2.20 -1.26 -3.38 119.74 127.19 1rk7 s LYS 3 Ca 0.22 -0.45 0.08 0.00 -0.36 0.00 0.00 55.97 55.45 1rk7 s LYS 3 Cb -0.05 -2.88 -0.03 0.00 -1.51 0.00 0.00 37.83 33.36 1rk7 s LYS 3 CO -0.06 0.46 0.21 0.00 -0.36 0.00 0.00 175.35 175.60 1rk7 s ALA 4 N -0.22 3.64 0.07 3.13 0.00 0.30 -1.17 121.76 127.51 1rk7 s ALA 4 Ca 0.05 -1.63 0.03 0.00 0.00 0.00 0.00 51.96 50.41 1rk7 s ALA 4 Cb -0.13 -1.08 -0.03 0.00 0.00 0.00 0.00 23.12 21.89 1rk7 s ALA 4 CO 0.02 0.10 -0.08 0.08 0.00 0.00 0.00 175.76 175.88 1rk7 s VAL 5 N -2.29 0.69 -0.41 0.00 1.01 -0.45 0.13 120.40 119.08 1rk7 s VAL 5 Ca 0.37 -1.40 0.06 0.00 0.00 0.00 0.00 61.98 61.01 1rk7 s VAL 5 Cb -0.06 -1.04 0.17 0.00 0.00 0.00 0.00 36.38 35.46 1rk7 s VAL 5 CO 0.25 -0.52 0.55 0.00 0.00 0.00 0.00 175.10 175.37 1rk7 s ALA 6 N -2.11 -1.63 -0.53 5.51 0.00 0.24 -0.65 121.76 122.58 1rk7 s ALA 6 Ca -0.01 -0.29 -0.26 0.00 0.00 0.00 0.00 51.96 51.39 1rk7 s ALA 6 Cb -0.05 -2.49 0.03 0.00 0.00 0.00 0.00 23.12 20.61 1rk7 s ALA 6 CO -0.01 -2.19 1.04 0.54 0.00 0.00 0.00 175.76 175.14 1rk7 s VAL 7 N 1.58 4.27 0.29 0.00 0.11 -1.26 -1.78 120.40 123.61 1rk7 s VAL 7 Ca 0.18 0.68 -0.29 0.00 -2.93 0.00 0.00 61.98 59.62 1rk7 s VAL 7 Cb -0.07 -4.58 -0.13 0.00 -1.53 0.00 0.00 36.38 30.07 1rk7 s VAL 7 CO -0.06 -1.11 1.32 0.18 -3.33 0.00 0.00 175.10 172.10 1rk7 n LEU 8 N 7.75 3.21 -3.61 2.54 7.99 0.90 -4.51 117.00 131.26 1rk7 n LEU 8 Ca 0.06 1.18 -0.00 0.00 -0.01 0.00 0.00 56.01 57.23 1rk7 n LEU 8 Cb 0.48 -1.44 -0.06 0.00 -0.11 0.00 0.00 43.42 42.29 1rk7 n LEU 8 CO 0.67 -0.56 0.80 -0.75 -1.51 0.00 0.00 177.39 176.04 1rk7 s LYS 9 N -1.19 0.24 0.00 3.23 2.47 -1.25 -3.56 119.74 119.67 1rk7 s LYS 9 Ca 0.61 0.43 0.00 0.00 -1.56 0.00 0.00 55.97 55.45 1rk7 s LYS 9 Cb -0.62 0.08 0.00 0.00 -1.46 0.00 0.00 37.83 35.83 1rk7 s LYS 9 CO 0.56 -0.05 0.00 0.41 0.16 0.00 0.00 175.35 176.43 1rk7 n GLY 10 N 3.61 -2.50 0.30 5.54 0.00 -1.26 -2.50 105.19 108.38 1rk7 n GLY 10 Ca -0.17 0.82 0.07 0.00 0.00 0.00 0.00 46.02 46.74 1rk7 n GLY 10 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1rk7 h ASP 11 N 0.00 -0.47 0.00 1.61 1.82 -1.90 -3.40 116.42 114.08 1rk7 h ASP 11 Ca 0.00 0.23 0.00 0.00 -0.39 0.00 0.00 57.03 56.87 1rk7 h ASP 11 Cb 0.00 0.41 0.00 0.00 0.68 0.00 0.00 39.33 40.42 1rk7 h ASP 11 CO 0.00 -0.24 0.00 0.61 -1.61 0.00 0.00 179.24 178.00 1rk7 n GLY 12 N -1.47 3.21 0.22 -0.78 0.00 -1.26 -4.88 105.19 100.24 1rk7 n GLY 12 Ca 0.15 -0.62 0.11 0.00 0.00 0.00 0.00 46.02 45.66 1rk7 n GLY 12 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1rk7 h PRO 13 N 0.00 0.00 -5.67 1.61 0.13 -1.92 -3.42 132.00 122.73 1rk7 h PRO 13 Ca 0.00 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.52 1rk7 h PRO 13 Cb 0.00 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 31.02 1rk7 h PRO 13 CO 0.00 0.17 0.30 0.54 -0.23 0.00 0.00 178.00 178.77 1rk7 s VAL 14 N -3.41 4.82 -0.30 1.56 0.11 -1.25 -4.02 120.40 117.90 1rk7 s VAL 14 Ca 0.03 0.93 0.19 0.00 -2.93 0.00 0.00 61.98 60.20 1rk7 s VAL 14 Cb 0.08 -4.12 0.48 0.00 -1.53 0.00 0.00 36.38 31.29 1rk7 s VAL 14 CO 0.64 -0.29 1.03 1.67 -3.33 0.00 0.00 175.10 174.83 1rk7 n GLN 15 N 6.17 1.63 -0.67 1.54 7.27 -0.42 -3.92 117.38 128.98 1rk7 n GLN 15 Ca 0.02 -3.47 -0.32 0.00 0.07 0.00 0.00 57.00 53.30 1rk7 n GLN 15 Cb 0.48 -1.50 0.17 0.00 2.41 0.00 0.00 30.24 31.81 1rk7 n GLN 15 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1rk7 n GLY 16 N -0.32 -2.18 2.59 1.69 0.00 -1.23 -4.59 105.19 101.15 1rk7 n GLY 16 Ca 0.12 -0.84 -0.27 0.00 0.00 0.00 0.00 46.02 45.03 1rk7 n GLY 16 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1rk7 s ILE 17 N -2.33 -0.03 -0.06 -0.61 1.01 0.28 -0.07 121.20 119.40 1rk7 s ILE 17 Ca 0.59 -0.42 0.02 0.00 0.00 0.00 0.00 60.65 60.84 1rk7 s ILE 17 Cb -0.17 -0.76 0.01 0.00 0.01 0.00 0.00 42.46 41.55 1rk7 s ILE 17 CO 0.66 -0.45 -0.12 -0.51 0.00 0.00 0.00 174.94 174.52 1rk7 s ILE 18 N 2.10 1.14 0.38 2.92 -1.16 -0.73 0.10 121.20 125.95 1rk7 s ILE 18 Ca 0.05 -0.49 0.05 0.00 -0.51 0.00 0.00 60.65 59.74 1rk7 s ILE 18 Cb -0.16 -1.04 -0.07 0.00 0.61 0.00 0.00 42.46 41.81 1rk7 s ILE 18 CO -0.19 0.35 0.03 0.20 -2.81 0.00 0.00 174.94 172.52 1rk7 s ASN 19 N 0.58 3.26 -0.12 4.50 0.01 -0.49 0.81 114.94 123.49 1rk7 s ASN 19 Ca -0.13 -1.41 0.01 0.00 -0.71 0.00 0.00 52.86 50.63 1rk7 s ASN 19 Cb -0.15 -0.18 0.02 0.00 0.41 0.00 0.00 41.25 41.35 1rk7 s ASN 19 CO 0.03 -0.56 -0.15 -0.36 -1.51 0.00 0.00 177.10 174.55 1rk7 s PHE 20 N -2.97 2.06 -0.13 2.20 0.40 0.34 -2.78 117.98 117.11 1rk7 s PHE 20 Ca 0.33 -1.04 -0.02 0.00 -0.60 0.00 0.00 56.93 55.61 1rk7 s PHE 20 Cb 0.09 -1.50 -0.02 0.00 0.51 0.00 0.00 43.02 42.10 1rk7 s PHE 20 CO 0.16 -0.55 -0.08 -2.00 0.70 0.00 0.00 175.22 173.46 1rk7 s GLU 21 N 1.15 3.38 -0.49 0.44 2.12 -0.83 0.11 118.70 124.57 1rk7 s GLU 21 Ca -0.03 -0.58 0.06 0.00 0.36 0.00 0.00 54.97 54.78 1rk7 s GLU 21 Cb -0.14 -2.75 0.19 0.00 0.26 0.00 0.00 34.13 31.69 1rk7 s GLU 21 CO -0.05 0.32 0.66 0.94 -0.54 0.00 0.00 175.26 176.60 1rk7 n GLN 22 N 3.25 0.49 -1.59 4.30 7.27 -1.22 0.14 117.38 130.03 1rk7 n GLN 22 Ca -0.18 -2.28 -0.41 0.00 0.07 0.00 0.00 57.00 54.21 1rk7 n GLN 22 Cb 0.53 -1.50 -0.01 0.00 2.41 0.00 0.00 30.24 31.66 1rk7 n GLN 22 CO 0.00 0.00 0.00 1.63 0.07 0.00 0.00 177.06 178.76 1rk7 n LYS 23 N 2.75 3.38 0.00 3.69 5.02 -1.26 -3.47 118.16 128.26 1rk7 n LYS 23 Ca 0.20 -2.52 0.00 0.00 -2.02 0.00 0.00 58.31 53.97 1rk7 n LYS 23 Cb 0.55 -3.01 0.00 0.00 -0.02 0.00 0.00 35.03 32.55 1rk7 n LYS 23 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1rk7 n GLU 24 N 4.60 0.00 0.00 1.97 1.02 -1.26 -5.01 120.64 121.96 1rk7 n GLU 24 Ca 0.64 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.78 1rk7 n GLU 24 Cb 0.31 -0.02 0.00 0.00 -0.02 0.00 0.00 31.44 31.70 1rk7 n GLU 24 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1rk7 n SER 25 N -2.32 0.00 -0.85 1.62 2.88 -1.23 -4.59 113.62 109.14 1rk7 n SER 25 Ca 0.00 0.00 -0.03 0.00 -1.33 0.00 0.00 58.87 57.51 1rk7 n SER 25 Cb 0.00 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.42 1rk7 n SER 25 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 1rk7 n ASN 26 N 0.00 -0.45 0.00 -3.46 6.94 -1.26 -4.69 115.26 112.33 1rk7 n ASN 26 Ca 0.00 -1.67 0.00 0.00 -0.02 0.00 0.00 54.58 52.89 1rk7 n ASN 26 Cb 0.00 0.13 0.00 0.00 -2.36 0.00 0.00 39.78 37.55 1rk7 n ASN 26 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1rk7 n GLY 27 N 0.04 5.69 3.81 4.83 0.00 -1.26 -5.11 105.19 113.18 1rk7 n GLY 27 Ca -0.15 -1.67 -0.30 0.00 0.00 0.00 0.00 46.02 43.90 1rk7 n GLY 27 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1rk7 s PRO 28 N 1.72 2.39 -0.25 1.61 0.04 -1.25 -4.66 135.00 134.60 1rk7 s PRO 28 Ca 0.00 0.75 0.01 0.00 0.04 0.00 0.00 61.00 61.80 1rk7 s PRO 28 Cb 0.00 -1.94 0.06 0.00 0.04 0.00 0.00 34.50 32.66 1rk7 s PRO 28 CO 0.00 -1.44 -0.04 0.08 0.04 0.00 0.00 177.00 175.65 1rk7 s VAL 29 N -3.12 1.54 -0.88 -0.36 1.01 -0.49 -4.57 120.40 113.53 1rk7 s VAL 29 Ca 0.60 -1.30 -0.25 0.00 0.00 0.00 0.00 61.98 61.03 1rk7 s VAL 29 Cb -0.14 -1.84 0.01 0.00 0.00 0.00 0.00 36.38 34.40 1rk7 s VAL 29 CO 0.54 -0.16 1.63 -0.54 0.00 0.00 0.00 175.10 176.57 1rk7 s LYS 30 N 1.38 3.07 -0.12 2.72 1.02 0.37 -3.84 119.74 124.34 1rk7 s LYS 30 Ca -0.04 -0.47 -0.20 0.00 0.02 0.00 0.00 55.97 55.28 1rk7 s LYS 30 Cb -0.19 -4.93 -0.04 0.00 -0.52 0.00 0.00 37.83 32.15 1rk7 s LYS 30 CO -0.07 -2.63 0.56 0.08 -0.92 0.00 0.00 175.35 172.37 1rk7 s VAL 31 N 7.25 5.12 0.05 3.17 1.01 -0.24 -1.97 120.40 134.79 1rk7 s VAL 31 Ca 0.54 1.12 -0.23 0.00 0.00 0.00 0.00 61.98 63.41 1rk7 s VAL 31 Cb -0.05 -3.90 0.06 0.00 0.00 0.00 0.00 36.38 32.49 1rk7 s VAL 31 CO 0.01 0.27 0.54 -1.66 0.00 0.00 0.00 175.10 174.27 1rk7 s TRP 32 N 0.90 -0.46 0.00 5.22 -2.14 -1.12 -0.61 118.94 120.74 1rk7 s TRP 32 Ca 0.29 0.53 0.00 0.00 2.66 0.00 0.00 56.10 59.58 1rk7 s TRP 32 Cb -0.16 0.37 0.00 0.00 -3.10 0.00 0.00 33.47 30.58 1rk7 s TRP 32 CO 0.12 -0.66 0.00 0.41 -2.66 0.00 0.00 176.95 174.17 1rk7 n GLY 33 N 0.40 1.27 3.53 3.67 0.00 -1.08 -1.39 105.19 111.58 1rk7 n GLY 33 Ca -0.18 -0.90 -0.05 0.00 0.00 0.00 0.00 46.02 44.89 1rk7 n GLY 33 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1rk7 s SER 34 N -0.89 -0.85 0.61 1.61 0.01 0.11 -1.95 113.70 112.36 1rk7 s SER 34 Ca 0.00 1.37 -0.07 0.00 1.31 0.00 0.00 55.95 58.56 1rk7 s SER 34 Cb 0.00 1.76 0.01 0.00 0.21 0.00 0.00 66.02 68.00 1rk7 s SER 34 CO 0.00 -0.22 0.94 -0.63 0.41 0.00 0.00 173.24 173.74 1rk7 s ILE 35 N 2.43 3.70 -0.27 1.44 1.09 0.41 0.10 121.20 130.11 1rk7 s ILE 35 Ca -0.06 0.13 -0.04 0.00 -1.10 0.00 0.00 60.65 59.58 1rk7 s ILE 35 Cb -0.10 -3.49 0.15 0.00 -1.06 0.00 0.00 42.46 37.96 1rk7 s ILE 35 CO -0.17 -0.53 0.52 -0.54 -0.10 0.00 0.00 174.94 174.12 1rk7 s LYS 36 N -5.06 0.48 0.00 2.79 1.02 -1.26 -3.38 119.74 114.33 1rk7 s LYS 36 Ca 0.54 0.95 0.00 0.00 0.02 0.00 0.00 55.97 57.49 1rk7 s LYS 36 Cb -0.11 0.29 0.00 0.00 -0.52 0.00 0.00 37.83 37.49 1rk7 s LYS 36 CO 0.47 -0.51 0.00 0.41 -0.92 0.00 0.00 175.35 174.80 1rk7 n GLY 37 N 5.41 2.92 0.00 -3.33 0.00 -1.26 -1.30 105.19 107.63 1rk7 n GLY 37 Ca -0.04 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.28 1rk7 n GLY 37 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1rk7 n LEU 38 N 0.00 0.00 -4.08 0.99 4.32 -1.26 -4.84 117.00 112.13 1rk7 n LEU 38 Ca 0.00 0.00 -0.20 0.00 -0.02 0.00 0.00 56.01 55.79 1rk7 n LEU 38 Cb 0.00 0.00 -0.15 0.00 -1.62 0.00 0.00 43.42 41.65 1rk7 n LEU 38 CO 0.00 -1.31 -0.45 0.42 -1.22 0.00 0.00 177.39 174.83 1rk7 s THR 39 N -0.66 0.92 -0.22 -5.08 -4.23 -1.26 -3.73 115.64 101.38 1rk7 s THR 39 Ca 0.00 -0.59 -0.41 0.00 -1.18 0.00 0.00 61.69 59.51 1rk7 s THR 39 Cb 0.00 -0.79 -0.18 0.00 1.34 0.00 0.00 72.50 72.87 1rk7 s THR 39 CO 0.00 0.19 1.51 -1.84 -0.54 0.00 0.00 174.62 173.94 1rk7 n GLU 40 N 2.61 0.62 0.00 3.99 0.28 -1.26 -4.49 120.64 122.40 1rk7 n GLU 40 Ca -0.15 0.23 0.00 0.00 -0.16 0.00 0.00 57.16 57.08 1rk7 n GLU 40 Cb 0.56 -1.82 0.00 0.00 1.43 0.00 0.00 31.44 31.61 1rk7 n GLU 40 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1rk7 n GLY 41 N 3.33 3.49 3.47 -1.84 0.00 -1.26 -4.87 105.19 107.52 1rk7 n GLY 41 Ca 0.25 -1.84 -0.42 0.00 0.00 0.00 0.00 46.02 44.01 1rk7 n GLY 41 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1rk7 n LEU 42 N 0.00 0.35 -3.59 0.99 4.77 -1.26 -2.50 117.00 115.76 1rk7 n LEU 42 Ca 0.00 0.93 -0.11 0.00 -0.03 0.00 0.00 56.01 56.80 1rk7 n LEU 42 Cb 0.00 -1.15 -0.04 0.00 -2.33 0.00 0.00 43.42 39.90 1rk7 n LEU 42 CO 0.00 -2.69 0.22 -1.00 -1.33 0.00 0.00 177.39 172.59 1rk7 s HIS 43 N -1.43 -0.29 0.67 -1.77 3.76 0.85 -3.22 115.29 113.85 1rk7 s HIS 43 Ca 0.63 0.04 -0.17 0.00 -0.15 0.00 0.00 55.06 55.41 1rk7 s HIS 43 Cb -0.60 0.33 -0.01 0.00 1.11 0.00 0.00 32.58 33.40 1rk7 s HIS 43 CO 0.58 -0.72 1.04 0.41 -0.85 0.00 0.00 174.74 175.20 1rk7 n GLY 44 N -0.17 -0.18 0.00 -2.22 0.00 -1.26 -2.64 105.19 98.72 1rk7 n GLY 44 Ca -0.17 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.62 1rk7 n GLY 44 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1rk7 n PHE 45 N -2.16 0.00 -3.82 1.61 -0.00 -0.58 -3.82 117.46 108.70 1rk7 n PHE 45 Ca 0.14 0.00 -0.00 0.00 -0.00 0.00 0.00 57.45 57.59 1rk7 n PHE 45 Cb 0.49 0.00 0.01 0.00 -0.00 0.00 0.00 39.48 39.97 1rk7 n PHE 45 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.76 173.38 1rk7 s HIS 46 N 0.00 -0.00 -1.04 -5.13 -3.43 -0.99 -4.44 115.29 100.26 1rk7 s HIS 46 Ca 0.00 -0.22 -0.24 0.00 -0.80 0.00 0.00 55.06 53.80 1rk7 s HIS 46 Cb 0.00 0.61 -0.09 0.00 -1.43 0.00 0.00 32.58 31.67 1rk7 s HIS 46 CO 0.00 -0.54 1.99 0.08 -2.00 0.00 0.00 174.74 174.27 1rk7 s VAL 47 N -2.37 3.42 -0.37 -5.38 1.01 -1.22 -0.86 120.40 114.63 1rk7 s VAL 47 Ca 0.20 -0.57 0.01 0.00 0.00 0.00 0.00 61.98 61.62 1rk7 s VAL 47 Cb 0.00 -4.20 0.12 0.00 0.00 0.00 0.00 36.38 32.30 1rk7 s VAL 47 CO 0.01 -0.81 0.17 -1.00 0.00 0.00 0.00 175.10 173.46 1rk7 s HIS 48 N 11.56 1.68 -0.49 5.22 3.76 -1.17 -4.57 115.29 131.28 1rk7 s HIS 48 Ca 0.72 -2.01 0.04 0.00 -0.15 0.00 0.00 55.06 53.66 1rk7 s HIS 48 Cb -0.04 -1.68 0.16 0.00 1.11 0.00 0.00 32.58 32.13 1rk7 s HIS 48 CO 0.08 -0.83 0.36 -2.00 -0.85 0.00 0.00 174.74 171.50 1rk7 s GLU 49 N 1.01 1.33 -1.24 1.40 -6.30 -1.26 -4.62 118.70 109.02 1rk7 s GLU 49 Ca 0.14 -2.36 -0.05 0.00 -2.50 0.00 0.00 54.97 50.20 1rk7 s GLU 49 Cb -0.21 -2.04 0.18 0.00 0.00 0.00 0.00 34.13 32.05 1rk7 s GLU 49 CO -0.11 -1.32 2.14 0.39 0.02 0.00 0.00 175.26 176.38 1rk7 n GLU 50 N 2.79 4.62 0.00 4.30 -0.58 -1.26 -4.89 120.64 125.61 1rk7 n GLU 50 Ca 0.23 -3.79 0.00 0.00 -0.42 0.00 0.00 57.16 53.19 1rk7 n GLU 50 Cb 0.42 -2.64 0.00 0.00 -0.57 0.00 0.00 31.44 28.66 1rk7 n GLU 50 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1rk7 n GLU 51 N 1.66 0.00 -0.54 3.49 1.02 -1.26 -4.94 120.64 120.07 1rk7 n GLU 51 Ca 0.54 0.00 0.07 0.00 -0.02 0.00 0.00 57.16 57.75 1rk7 n GLU 51 Cb 0.27 0.00 -0.02 0.00 -0.02 0.00 0.00 31.44 31.67 1rk7 n GLU 51 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1rk7 n ASP 52 N 6.88 -3.22 -0.54 1.62 -0.08 -1.26 -4.72 116.55 115.24 1rk7 n ASP 52 Ca 0.00 0.30 0.05 0.00 -1.51 0.00 0.00 54.79 53.63 1rk7 n ASP 52 Cb 0.00 -1.68 0.10 0.00 2.34 0.00 0.00 41.12 41.88 1rk7 n ASP 52 CO 0.00 0.00 0.00 0.59 0.12 0.00 0.00 177.20 177.91 1rk7 n ASN 53 N -2.68 1.37 -3.87 1.67 4.13 -1.26 -5.00 115.26 109.62 1rk7 n ASN 53 Ca -0.01 -2.80 -0.27 0.00 1.68 0.00 0.00 54.58 53.18 1rk7 n ASN 53 Cb 0.25 -0.37 -0.17 0.00 -1.54 0.00 0.00 39.78 37.95 1rk7 n ASN 53 CO 0.00 0.00 0.00 0.28 0.28 0.00 0.00 177.26 177.82 1rk7 s THR 54 N -1.73 0.95 0.00 3.41 -1.32 -1.26 -5.07 115.64 110.62 1rk7 s THR 54 Ca 0.25 -0.44 0.00 0.00 -1.21 0.00 0.00 61.69 60.29 1rk7 s THR 54 Cb 0.24 -1.11 0.00 0.00 -1.51 0.00 0.00 72.50 70.13 1rk7 s THR 54 CO -0.03 0.18 0.00 0.00 -2.21 0.00 0.00 174.62 172.56 1rk7 n ALA 55 N 4.94 0.00 -2.54 11.08 0.00 -1.26 -4.85 120.51 127.87 1rk7 n ALA 55 Ca -0.11 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 52.98 1rk7 n ALA 55 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.94 1rk7 n ALA 55 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rk7 n GLY 56 N 0.00 5.85 0.00 0.00 0.00 -1.26 -4.97 105.19 104.81 1rk7 n GLY 56 Ca 0.00 -2.65 0.00 0.00 0.00 0.00 0.00 46.02 43.37 1rk7 n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rk7 n THR 58 N 0.00 0.00 -3.15 0.00 -2.24 -1.26 -5.07 114.28 102.56 1rk7 n THR 58 Ca 0.00 0.00 -0.22 0.00 -2.27 0.00 0.00 64.05 61.56 1rk7 n THR 58 Cb 0.00 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.17 1rk7 n THR 58 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1rk7 n SER 59 N 0.00 -0.40 0.03 3.42 7.64 -1.26 -4.98 113.62 118.07 1rk7 n SER 59 Ca 0.00 -2.73 -0.02 0.00 1.01 0.00 0.00 58.87 57.13 1rk7 n SER 59 Cb 0.00 -0.26 -0.01 0.00 -1.01 0.00 0.00 64.21 62.93 1rk7 n SER 59 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1rk7 h ALA 60 N 4.26 -0.23 0.00 -0.43 0.00 -2.01 -3.50 119.26 117.35 1rk7 h ALA 60 Ca 0.07 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1rk7 h ALA 60 Cb 0.91 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.75 1rk7 h ALA 60 CO 0.42 -0.22 0.00 0.41 0.00 0.00 0.00 179.25 179.86 1rk7 n GLY 61 N 1.25 3.61 3.81 0.00 0.00 -1.26 -5.13 105.19 107.48 1rk7 n GLY 61 Ca -0.02 -0.57 -0.32 0.00 0.00 0.00 0.00 46.02 45.11 1rk7 n GLY 61 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1rk7 s PRO 62 N -3.44 3.29 0.00 1.61 0.04 -1.26 -4.79 135.00 130.45 1rk7 s PRO 62 Ca 0.00 1.12 0.00 0.00 0.04 0.00 0.00 61.00 62.16 1rk7 s PRO 62 Cb 0.00 -2.03 0.00 0.00 0.04 0.00 0.00 34.50 32.51 1rk7 s PRO 62 CO 0.00 -0.83 0.00 1.58 0.04 0.00 0.00 177.00 177.79 1rk7 n HIS 63 N -2.24 0.00 -3.83 0.56 -0.00 -1.23 -5.07 115.22 103.40 1rk7 n HIS 63 Ca 0.08 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.26 1rk7 n HIS 63 Cb 0.53 -0.30 0.00 0.00 -0.12 0.00 0.00 29.99 30.10 1rk7 n HIS 63 CO 0.00 0.00 0.00 1.19 0.46 0.00 0.00 176.34 177.99 1rk7 n PHE 64 N -1.76 0.00 -3.33 1.57 3.72 -1.26 -5.11 117.46 111.29 1rk7 n PHE 64 Ca 0.00 0.00 -0.23 0.00 -0.05 0.00 0.00 57.45 57.17 1rk7 n PHE 64 Cb 0.00 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 38.53 1rk7 n PHE 64 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1rk7 s ASN 65 N -4.00 6.18 0.26 4.37 4.22 -1.26 -4.59 114.94 120.12 1rk7 s ASN 65 Ca 0.00 0.37 0.12 0.00 -2.14 0.00 0.00 52.86 51.21 1rk7 s ASN 65 Cb 0.00 -1.88 0.25 0.00 1.28 0.00 0.00 41.25 40.90 1rk7 s ASN 65 CO 0.00 -0.38 1.54 1.55 -2.04 0.00 0.00 177.10 177.77 1rk7 h PRO 66 N 0.70 0.00 0.00 3.55 0.13 -1.91 -3.43 132.00 131.04 1rk7 h PRO 66 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1rk7 h PRO 66 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1rk7 h PRO 66 CO 0.60 0.65 0.00 -0.11 -0.23 0.00 0.00 178.00 178.91 1rk7 n LEU 67 N -3.58 0.00 -0.01 1.56 -0.00 -1.26 -4.40 117.00 109.31 1rk7 n LEU 67 Ca -0.00 0.00 0.07 0.00 -0.00 0.00 0.00 56.01 56.07 1rk7 n LEU 67 Cb 0.69 0.00 -0.10 0.00 -0.00 0.00 0.00 43.42 44.01 1rk7 n LEU 67 CO 0.42 0.00 -0.57 -1.20 -0.00 0.00 0.00 177.39 176.04 1rk7 n SER 68 N 0.00 1.71 -3.03 1.96 7.64 -1.26 -4.69 113.62 115.95 1rk7 n SER 68 Ca 0.00 -0.12 -0.18 0.00 1.01 0.00 0.00 58.87 59.58 1rk7 n SER 68 Cb 0.00 1.53 -0.03 0.00 -1.01 0.00 0.00 64.21 64.70 1rk7 n SER 68 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1rk7 n ARG 69 N -1.88 1.79 -2.57 1.43 5.12 -1.26 -3.45 116.66 115.85 1rk7 n ARG 69 Ca -0.02 -1.25 -0.43 0.00 -1.93 0.00 0.00 57.85 54.22 1rk7 n ARG 69 Cb 0.33 -2.32 0.00 0.00 -1.16 0.00 0.00 32.46 29.32 1rk7 n ARG 69 CO 0.00 0.00 0.00 1.17 -1.93 0.00 0.00 177.63 176.87 1rk7 n LYS 70 N 4.04 3.43 -3.11 5.56 3.00 -1.26 -4.55 118.16 125.28 1rk7 n LYS 70 Ca 0.38 -3.57 -0.06 0.00 -0.00 0.00 0.00 58.31 55.06 1rk7 n LYS 70 Cb 0.17 -3.05 0.00 0.00 0.00 0.00 0.00 35.03 32.16 1rk7 n LYS 70 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.40 178.98 1rk7 n HIS 71 N 5.13 -2.99 0.00 5.64 -0.00 -1.22 -4.89 115.22 116.89 1rk7 n HIS 71 Ca 0.40 1.17 0.00 0.00 -0.00 0.00 0.00 57.72 59.29 1rk7 n HIS 71 Cb 0.40 -3.89 0.00 0.00 -0.00 0.00 0.00 29.99 26.50 1rk7 n HIS 71 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1rk7 n GLY 72 N -1.38 -0.45 0.00 1.57 0.00 -1.26 -4.85 105.19 98.82 1rk7 n GLY 72 Ca -0.01 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.65 1rk7 n GLY 72 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rk7 n GLY 73 N 0.00 -0.86 2.17 -0.02 0.00 -1.26 -4.80 105.19 100.41 1rk7 n GLY 73 Ca 0.00 0.31 -0.12 0.00 0.00 0.00 0.00 46.02 46.21 1rk7 n GLY 73 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1rk7 n PRO 74 N 0.00 1.68 -0.03 1.61 -0.04 -1.24 -2.40 135.00 134.57 1rk7 n PRO 74 Ca 0.00 -0.89 -0.08 0.00 -0.04 0.00 0.00 63.50 62.49 1rk7 n PRO 74 Cb 0.00 -1.97 -0.03 0.00 -0.04 0.00 0.00 33.50 31.46 1rk7 n PRO 74 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1rk7 n LYS 75 N 2.80 0.24 0.00 0.54 4.76 -1.26 -5.05 118.16 120.18 1rk7 n LYS 75 Ca 0.36 0.10 0.00 0.00 -2.87 0.00 0.00 58.31 55.90 1rk7 n LYS 75 Cb 0.62 -0.90 0.00 0.00 -1.84 0.00 0.00 35.03 32.91 1rk7 n LYS 75 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1rk7 n ASP 76 N -3.75 0.00 0.00 4.39 2.03 -1.24 -4.98 116.55 113.00 1rk7 n ASP 76 Ca -0.13 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.18 1rk7 n ASP 76 Cb 0.41 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.81 1rk7 n ASP 76 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 1rk7 n GLU 77 N -0.74 -0.27 -2.01 -0.67 4.07 -1.26 -5.06 120.64 114.71 1rk7 n GLU 77 Ca 0.00 -0.48 -0.41 0.00 -0.06 0.00 0.00 57.16 56.21 1rk7 n GLU 77 Cb 0.00 -0.85 -0.01 0.00 -0.06 0.00 0.00 31.44 30.51 1rk7 n GLU 77 CO 0.00 0.00 0.00 -1.21 -0.06 0.00 0.00 177.13 175.86 1rk7 s GLU 78 N -0.11 4.27 -0.16 5.31 8.01 -1.01 -4.37 118.70 130.65 1rk7 s GLU 78 Ca 0.00 2.34 -0.11 0.00 0.01 0.00 0.00 54.97 57.22 1rk7 s GLU 78 Cb 0.00 -3.03 0.04 0.00 -4.31 0.00 0.00 34.13 26.83 1rk7 s GLU 78 CO 0.00 -0.31 0.21 -2.13 0.01 0.00 0.00 175.26 173.04 1rk7 n ARG 79 N 0.68 -3.81 0.00 1.61 0.00 -1.22 -3.70 116.66 110.21 1rk7 n ARG 79 Ca 0.00 2.95 0.00 0.00 -0.00 0.00 0.00 57.85 60.81 1rk7 n ARG 79 Cb 0.41 -4.36 0.00 0.00 0.00 0.00 0.00 32.46 28.51 1rk7 n ARG 79 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.63 179.21 1rk7 n HIS 80 N 1.40 0.00 0.00 -0.14 -0.00 -1.26 -4.80 115.22 110.42 1rk7 n HIS 80 Ca -0.36 0.00 0.00 0.00 0.46 0.00 0.00 57.72 57.82 1rk7 n HIS 80 Cb 0.55 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.42 1rk7 n HIS 80 CO 0.00 0.00 0.00 0.28 0.46 0.00 0.00 176.34 177.08 1rk7 n VAL 81 N 0.00 0.00 0.00 3.57 0.31 -1.26 -5.02 118.33 115.93 1rk7 n VAL 81 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1rk7 n VAL 81 Cb 0.00 -0.48 0.00 0.00 -0.91 0.00 0.00 33.84 32.45 1rk7 n VAL 81 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1rk7 n GLY 82 N 2.06 -0.05 3.75 2.92 0.00 -1.26 -4.93 105.19 107.67 1rk7 n GLY 82 Ca 0.00 -0.02 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 1rk7 n GLY 82 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1rk7 s ASP 83 N -3.10 6.54 -0.80 1.61 -1.08 -1.26 -4.46 116.67 114.11 1rk7 s ASP 83 Ca 0.00 2.78 0.02 0.00 -0.52 0.00 0.00 52.55 54.83 1rk7 s ASP 83 Cb 0.00 -2.63 0.32 0.00 -1.46 0.00 0.00 42.92 39.15 1rk7 s ASP 83 CO 0.00 -0.79 1.28 -0.11 0.52 0.00 0.00 175.17 176.07 1rk7 n LEU 84 N 2.31 5.60 0.00 -1.34 -0.00 -1.26 -4.26 117.00 118.05 1rk7 n LEU 84 Ca 0.07 -5.49 0.02 0.00 -0.00 0.00 0.00 56.01 50.61 1rk7 n LEU 84 Cb 0.39 -0.87 -0.01 0.00 -0.00 0.00 0.00 43.42 42.93 1rk7 n LEU 84 CO 0.62 2.13 -0.03 0.61 -0.00 0.00 0.00 177.39 180.72 1rk7 n GLY 85 N 0.17 -0.35 3.85 -3.96 0.00 -1.26 -4.83 105.19 98.80 1rk7 n GLY 85 Ca 0.36 -0.28 -0.26 0.00 0.00 0.00 0.00 46.02 45.83 1rk7 n GLY 85 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1rk7 s ASN 86 N -3.46 4.60 0.38 1.61 -0.87 -1.26 -4.38 114.94 111.56 1rk7 s ASN 86 Ca 0.00 -1.17 0.04 0.00 -1.57 0.00 0.00 52.86 50.16 1rk7 s ASN 86 Cb 0.00 0.08 -0.04 0.00 -0.02 0.00 0.00 41.25 41.26 1rk7 s ASN 86 CO 0.00 -0.89 0.07 -0.69 -2.57 0.00 0.00 177.10 173.03 1rk7 s VAL 87 N -2.70 1.01 0.10 1.60 1.01 -1.08 -4.97 120.40 115.37 1rk7 s VAL 87 Ca 0.35 -2.00 0.09 0.00 0.00 0.00 0.00 61.98 60.42 1rk7 s VAL 87 Cb -0.01 -2.56 -0.04 0.00 0.00 0.00 0.00 36.38 33.78 1rk7 s VAL 87 CO 0.21 0.00 -0.22 -0.89 0.00 0.00 0.00 175.10 174.20 1rk7 s THR 88 N -3.18 1.83 0.67 3.92 2.01 -1.26 -0.10 115.64 119.53 1rk7 s THR 88 Ca 0.28 -1.56 -0.07 0.00 0.31 0.00 0.00 61.69 60.64 1rk7 s THR 88 Cb 0.06 -1.65 0.04 0.00 0.01 0.00 0.00 72.50 70.96 1rk7 s THR 88 CO 0.14 -0.00 0.99 0.00 -0.69 0.00 0.00 174.62 175.05 1rk7 s ALA 89 N -1.11 3.16 0.00 7.40 0.00 -1.04 -4.50 121.76 125.66 1rk7 s ALA 89 Ca 0.08 -0.77 0.00 0.00 0.00 0.00 0.00 51.96 51.27 1rk7 s ALA 89 Cb -0.10 -2.66 0.00 0.00 0.00 0.00 0.00 23.12 20.36 1rk7 s ALA 89 CO 0.04 -1.13 0.00 -3.47 0.00 0.00 0.00 175.76 171.21 1rk7 n ASP 90 N -2.83 0.00 -0.00 0.00 2.03 0.30 -4.05 116.55 111.99 1rk7 n ASP 90 Ca 0.07 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.38 1rk7 n ASP 90 Cb 0.59 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.99 1rk7 n ASP 90 CO 0.00 0.00 0.00 2.29 -1.92 0.00 0.00 177.20 177.57 1rk7 n LYS 91 N 0.00 0.45 -0.67 -0.67 2.85 -1.26 -4.67 118.16 114.19 1rk7 n LYS 91 Ca 0.00 -0.66 -0.00 0.00 -1.05 0.00 0.00 58.31 56.60 1rk7 n LYS 91 Cb 0.00 -0.58 -0.01 0.00 -0.65 0.00 0.00 35.03 33.80 1rk7 n LYS 91 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1rk7 n ASP 92 N -0.08 0.00 0.00 -5.58 8.00 -1.26 -4.79 116.55 112.84 1rk7 n ASP 92 Ca 0.00 -1.61 0.00 0.00 0.71 0.00 0.00 54.79 53.89 1rk7 n ASP 92 Cb 0.46 -0.08 0.00 0.00 -0.02 0.00 0.00 41.12 41.49 1rk7 n ASP 92 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1rk7 n GLY 93 N 0.06 2.68 3.36 0.44 0.00 -1.24 -4.42 105.19 106.06 1rk7 n GLY 93 Ca -0.02 -0.03 -0.54 0.00 0.00 0.00 0.00 46.02 45.42 1rk7 n GLY 93 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1rk7 n VAL 94 N 0.00 0.08 -3.85 1.61 0.31 -1.26 -4.29 118.33 110.93 1rk7 n VAL 94 Ca 0.00 -0.14 -0.36 0.00 -0.01 0.00 0.00 64.34 63.83 1rk7 n VAL 94 Cb 0.00 -1.08 -0.13 0.00 -0.91 0.00 0.00 33.84 31.72 1rk7 n VAL 94 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1rk7 s ALA 95 N 6.95 2.91 0.08 3.52 0.00 -1.22 -0.54 121.76 133.46 1rk7 s ALA 95 Ca 1.16 -1.36 0.04 0.00 0.00 0.00 0.00 51.96 51.80 1rk7 s ALA 95 Cb -1.16 -1.90 -0.04 0.00 0.00 0.00 0.00 23.12 20.02 1rk7 s ALA 95 CO 0.56 -0.74 0.03 0.16 0.00 0.00 0.00 175.76 175.78 1rk7 s ASP 96 N 1.45 5.24 0.19 0.00 -4.77 -1.26 0.16 116.67 117.67 1rk7 s ASP 96 Ca 0.03 -0.10 0.07 0.00 -3.30 0.00 0.00 52.55 49.26 1rk7 s ASP 96 Cb -0.16 -1.32 -0.04 0.00 -1.09 0.00 0.00 42.92 40.30 1rk7 s ASP 96 CO -0.01 0.18 -0.14 -0.69 0.70 0.00 0.00 175.17 175.21 1rk7 s VAL 97 N -1.33 1.65 -0.36 2.11 1.01 -0.82 -4.91 120.40 117.76 1rk7 s VAL 97 Ca 0.27 -2.11 -0.02 0.00 0.00 0.00 0.00 61.98 60.12 1rk7 s VAL 97 Cb -0.12 -1.95 0.18 0.00 0.00 0.00 0.00 36.38 34.50 1rk7 s VAL 97 CO 0.19 -0.56 0.87 -0.94 0.00 0.00 0.00 175.10 174.66 1rk7 s SER 98 N -3.13 -0.86 0.07 3.32 1.04 -1.21 -2.65 113.70 110.28 1rk7 s SER 98 Ca 0.20 -0.39 0.07 0.00 0.48 0.00 0.00 55.95 56.31 1rk7 s SER 98 Cb -0.01 1.13 -0.03 0.00 0.10 0.00 0.00 66.02 67.21 1rk7 s SER 98 CO 0.06 -0.10 -0.19 -0.63 0.98 0.00 0.00 173.24 173.36 1rk7 s ILE 99 N 2.00 1.53 -0.45 -1.02 1.01 0.22 -5.00 121.20 119.50 1rk7 s ILE 99 Ca 0.16 -1.31 0.02 0.00 0.00 0.00 0.00 60.65 59.52 1rk7 s ILE 99 Cb -0.00 -1.37 0.14 0.00 0.01 0.00 0.00 42.46 41.23 1rk7 s ILE 99 CO -0.12 0.02 0.25 -0.70 0.00 0.00 0.00 174.94 174.39 1rk7 s GLU 100 N -1.51 1.31 0.33 2.79 2.12 -1.26 -1.07 118.70 121.40 1rk7 s GLU 100 Ca 0.05 -2.04 0.02 0.00 0.36 0.00 0.00 54.97 53.35 1rk7 s GLU 100 Cb -0.09 -2.34 -0.03 0.00 0.26 0.00 0.00 34.13 31.93 1rk7 s GLU 100 CO 0.03 -1.17 0.51 -0.51 -0.54 0.00 0.00 175.26 173.58 1rk7 s ASP 101 N 0.30 6.25 -0.00 -1.70 1.01 -1.25 -4.90 116.67 116.37 1rk7 s ASP 101 Ca 0.18 0.33 -0.00 0.00 0.71 0.00 0.00 52.55 53.77 1rk7 s ASP 101 Cb -0.23 -1.92 -0.00 0.00 1.01 0.00 0.00 42.92 41.78 1rk7 s ASP 101 CO -0.01 -0.28 -0.01 -1.54 0.21 0.00 0.00 175.17 173.54 1rk7 n SER 102 N -1.72 1.06 -0.23 0.27 3.41 -1.26 -1.40 113.62 113.75 1rk7 n SER 102 Ca -0.05 0.00 -0.05 0.00 -0.26 0.00 0.00 58.87 58.52 1rk7 n SER 102 Cb 0.57 -0.01 0.01 0.00 -0.26 0.00 0.00 64.21 64.51 1rk7 n SER 102 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 1rk7 h VAL 103 N -0.01 0.15 -3.70 -3.33 2.07 -1.96 -3.41 116.25 106.06 1rk7 h VAL 103 Ca -0.01 0.00 -0.46 0.00 0.82 0.00 0.00 66.70 67.05 1rk7 h VAL 103 Cb 1.01 0.15 0.18 0.00 -1.52 0.00 0.00 31.29 31.11 1rk7 h VAL 103 CO -0.01 0.00 0.14 0.27 0.02 0.00 0.00 177.57 177.99 1rk7 s ILE 104 N -5.99 2.14 -0.03 4.57 -5.25 -1.26 -4.90 121.20 110.49 1rk7 s ILE 104 Ca -0.14 0.05 -0.17 0.00 -0.99 0.00 0.00 60.65 59.40 1rk7 s ILE 104 Cb 0.17 -2.35 0.05 0.00 2.95 0.00 0.00 42.46 43.28 1rk7 s ILE 104 CO 0.70 -0.06 0.75 -1.54 -1.79 0.00 0.00 174.94 172.99 1rk7 n SER 105 N -4.42 -0.65 -1.08 4.36 3.41 -1.09 -4.72 113.62 109.44 1rk7 n SER 105 Ca 0.05 -1.10 -0.01 0.00 -0.26 0.00 0.00 58.87 57.55 1rk7 n SER 105 Cb 0.56 1.00 0.21 0.00 -0.26 0.00 0.00 64.21 65.72 1rk7 n SER 105 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1rk7 n LEU 106 N 0.00 4.04 -4.97 1.04 4.32 -1.26 -0.66 117.00 119.52 1rk7 n LEU 106 Ca 0.03 -3.58 -0.21 0.00 -0.02 0.00 0.00 56.01 52.22 1rk7 n LEU 106 Cb 0.33 -0.61 -0.01 0.00 -1.62 0.00 0.00 43.42 41.51 1rk7 n LEU 106 CO 0.08 1.11 0.08 -0.44 -1.22 0.00 0.00 177.39 177.01 1rk7 s SER 107 N -2.40 6.16 -0.78 -1.43 0.01 -1.26 -4.75 113.70 109.24 1rk7 s SER 107 Ca 0.44 0.13 -0.25 0.00 1.31 0.00 0.00 55.95 57.58 1rk7 s SER 107 Cb 0.39 -1.70 -0.21 0.00 0.21 0.00 0.00 66.02 64.71 1rk7 s SER 107 CO 0.02 -0.31 1.89 0.61 0.41 0.00 0.00 173.24 175.87 1rk7 n GLY 108 N -1.66 1.01 0.00 3.44 0.00 -1.26 -0.48 105.19 106.24 1rk7 n GLY 108 Ca -0.04 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.24 1rk7 n GLY 108 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1rk7 n ASP 109 N 12.48 0.00 -0.87 1.61 8.00 -1.26 -4.92 116.55 131.59 1rk7 n ASP 109 Ca 0.46 0.00 0.07 0.00 0.71 0.00 0.00 54.79 56.03 1rk7 n ASP 109 Cb 0.44 0.00 0.22 0.00 -0.02 0.00 0.00 41.12 41.76 1rk7 n ASP 109 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 1rk7 n HIS 110 N 0.00 0.76 -1.57 1.24 8.25 -1.01 -5.01 115.22 117.89 1rk7 n HIS 110 Ca 0.00 -0.62 -0.61 0.00 -0.26 0.00 0.00 57.72 56.23 1rk7 n HIS 110 Cb 0.00 -0.14 -0.09 0.00 1.12 0.00 0.00 29.99 30.88 1rk7 n HIS 110 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1rk7 n SER 111 N 0.36 1.56 0.05 0.41 3.41 0.37 -2.68 113.62 117.10 1rk7 n SER 111 Ca 0.17 0.92 0.12 0.00 -0.26 0.00 0.00 58.87 59.82 1rk7 n SER 111 Cb 0.63 -1.01 0.19 0.00 -0.26 0.00 0.00 64.21 63.76 1rk7 n SER 111 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 1rk7 n ILE 112 N 5.26 0.32 -1.68 -1.33 -5.35 0.17 -4.89 119.36 111.86 1rk7 n ILE 112 Ca 0.37 -0.24 -0.45 0.00 -0.27 0.00 0.00 62.75 62.17 1rk7 n ILE 112 Cb 0.04 -0.11 -0.03 0.00 -1.74 0.00 0.00 39.64 37.80 1rk7 n ILE 112 CO 0.00 0.00 0.00 -0.38 -1.76 0.00 0.00 176.55 174.41 1rk7 n ILE 113 N -2.04 0.56 0.00 7.28 5.41 -1.26 -2.69 119.36 126.62 1rk7 n ILE 113 Ca 0.04 -0.14 0.00 0.00 1.00 0.00 0.00 62.75 63.65 1rk7 n ILE 113 Cb 0.43 -1.59 0.00 0.00 -0.71 0.00 0.00 39.64 37.77 1rk7 n ILE 113 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1rk7 n GLY 114 N 2.71 1.06 3.62 7.39 0.00 -1.26 -5.03 105.19 113.68 1rk7 n GLY 114 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 1rk7 n GLY 114 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1rk7 s ARG 115 N -0.43 4.02 -0.94 1.61 0.52 -1.10 -3.57 118.95 119.07 1rk7 s ARG 115 Ca 0.00 0.77 -0.13 0.00 -0.52 0.00 0.00 55.73 55.85 1rk7 s ARG 115 Cb 0.00 -3.72 0.22 0.00 0.52 0.00 0.00 34.95 31.97 1rk7 s ARG 115 CO 0.00 -0.70 0.95 0.99 0.02 0.00 0.00 175.30 176.56 1rk7 s THR 116 N 3.10 5.56 -1.02 0.02 2.01 -1.26 -3.01 115.64 121.04 1rk7 s THR 116 Ca 0.36 -2.61 -0.24 0.00 0.31 0.00 0.00 61.69 59.50 1rk7 s THR 116 Cb -0.14 -4.58 -0.16 0.00 0.01 0.00 0.00 72.50 67.63 1rk7 s THR 116 CO 0.12 -1.18 1.96 0.18 -0.69 0.00 0.00 174.62 175.01 1rk7 n LEU 117 N 4.10 2.58 -4.78 4.42 7.99 -1.24 -3.02 117.00 127.04 1rk7 n LEU 117 Ca 0.19 -2.83 -0.38 0.00 -0.01 0.00 0.00 56.01 52.98 1rk7 n LEU 117 Cb 0.45 -1.57 -0.06 0.00 -0.11 0.00 0.00 43.42 42.13 1rk7 n LEU 117 CO 0.41 -2.16 0.59 -0.69 -1.51 0.00 0.00 177.39 174.02 1rk7 s VAL 118 N 11.74 4.24 0.20 4.08 1.01 -0.04 -3.82 120.40 137.82 1rk7 s VAL 118 Ca 0.71 1.81 0.06 0.00 0.00 0.00 0.00 61.98 64.56 1rk7 s VAL 118 Cb 0.01 -4.11 -0.04 0.00 0.00 0.00 0.00 36.38 32.25 1rk7 s VAL 118 CO 0.17 0.32 0.11 0.68 0.00 0.00 0.00 175.10 176.37 1rk7 s VAL 119 N -1.39 4.21 0.03 2.92 -7.23 0.38 -1.53 120.40 117.78 1rk7 s VAL 119 Ca 0.44 -1.32 0.01 0.00 -1.81 0.00 0.00 61.98 59.30 1rk7 s VAL 119 Cb -0.21 -3.18 -0.04 0.00 0.56 0.00 0.00 36.38 33.51 1rk7 s VAL 119 CO 0.26 -0.19 0.09 -1.00 -0.31 0.00 0.00 175.10 173.95 1rk7 s HIS 120 N -1.89 3.26 0.58 2.82 3.76 -1.25 0.78 115.29 123.35 1rk7 s HIS 120 Ca 0.31 0.16 0.27 0.00 -0.15 0.00 0.00 55.06 55.64 1rk7 s HIS 120 Cb -0.09 -1.69 1.65 0.00 1.11 0.00 0.00 32.58 33.56 1rk7 s HIS 120 CO 0.22 0.54 2.17 1.49 -0.85 0.00 0.00 174.74 178.32 1rk7 h GLU 121 N 3.72 0.00 -4.36 1.40 4.22 -1.90 -3.36 114.58 114.30 1rk7 h GLU 121 Ca -0.48 0.00 -0.19 0.00 0.08 0.00 0.00 59.36 58.77 1rk7 h GLU 121 Cb 1.17 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 30.28 1rk7 h GLU 121 CO 0.65 0.00 -0.53 0.15 -2.18 0.00 0.00 179.01 177.09 1rk7 s LYS 122 N -4.73 1.18 0.08 1.92 -0.14 -1.26 -4.92 119.74 111.87 1rk7 s LYS 122 Ca -0.05 -1.49 -0.31 0.00 -1.36 0.00 0.00 55.97 52.76 1rk7 s LYS 122 Cb 0.16 0.30 -0.06 0.00 -1.68 0.00 0.00 37.83 36.54 1rk7 s LYS 122 CO 0.58 -0.40 1.22 0.00 -0.76 0.00 0.00 175.35 176.00 1rk7 s ALA 123 N -4.10 3.42 -0.03 5.17 0.00 -1.20 -4.17 121.76 120.86 1rk7 s ALA 123 Ca 0.31 0.90 0.26 0.00 0.00 0.00 0.00 51.96 53.43 1rk7 s ALA 123 Cb 0.06 -3.45 1.43 0.00 0.00 0.00 0.00 23.12 21.15 1rk7 s ALA 123 CO 0.08 -0.45 1.81 0.38 0.00 0.00 0.00 175.76 177.58 1rk7 h ASP 124 N 6.61 0.00 -1.41 0.00 2.03 -1.83 -3.40 116.42 118.43 1rk7 h ASP 124 Ca -0.42 0.00 -0.39 0.00 -0.73 0.00 0.00 57.03 55.49 1rk7 h ASP 124 Cb 1.21 0.00 -0.12 0.00 -0.83 0.00 0.00 39.33 39.59 1rk7 h ASP 124 CO 0.81 0.00 -0.39 0.47 -1.03 0.00 0.00 179.24 179.10 1rk7 n ASP 125 N -2.43 -5.39 -1.09 4.15 9.92 -1.26 -0.75 116.55 119.71 1rk7 n ASP 125 Ca -0.02 0.35 -0.14 0.00 -0.53 0.00 0.00 54.79 54.45 1rk7 n ASP 125 Cb 0.04 -4.54 -0.06 0.00 -0.64 0.00 0.00 41.12 35.92 1rk7 n ASP 125 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 1rk7 n LEU 126 N -2.35 -0.70 -0.02 0.64 4.77 -1.26 -4.41 117.00 113.67 1rk7 n LEU 126 Ca -0.20 0.33 0.00 0.00 -0.03 0.00 0.00 56.01 56.11 1rk7 n LEU 126 Cb 0.64 -2.60 0.00 0.00 -2.33 0.00 0.00 43.42 39.13 1rk7 n LEU 126 CO 0.29 -0.99 0.00 0.61 -1.33 0.00 0.00 177.39 175.96 1rk7 n GLY 127 N 0.03 0.68 0.09 -0.72 0.00 0.07 -4.18 105.19 101.17 1rk7 n GLY 127 Ca -0.14 -1.28 -0.09 0.00 0.00 0.00 0.00 46.02 44.52 1rk7 n GLY 127 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1rk7 n LYS 128 N 2.33 0.66 0.00 1.61 5.02 -1.26 -4.98 118.16 121.55 1rk7 n LYS 128 Ca 0.00 0.13 0.00 0.00 -2.02 0.00 0.00 58.31 56.42 1rk7 n LYS 128 Cb 0.00 -1.64 0.00 0.00 -0.02 0.00 0.00 35.03 33.37 1rk7 n LYS 128 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1rk7 n GLY 129 N 1.66 1.12 0.00 0.72 0.00 -1.26 -5.12 105.19 102.31 1rk7 n GLY 129 Ca -0.26 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.76 1rk7 n GLY 129 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rk7 n GLY 130 N -0.00 -2.95 3.31 -0.02 0.00 -1.26 -5.03 105.19 99.24 1rk7 n GLY 130 Ca 0.00 -0.99 -0.09 0.00 0.00 0.00 0.00 46.02 44.94 1rk7 n GLY 130 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1rk7 s ASN 131 N -2.11 -0.50 0.00 1.61 0.01 -1.26 -4.72 114.94 107.97 1rk7 s ASN 131 Ca 0.00 0.98 0.00 0.00 -0.71 0.00 0.00 52.86 53.13 1rk7 s ASN 131 Cb 0.00 0.99 0.00 0.00 0.41 0.00 0.00 41.25 42.65 1rk7 s ASN 131 CO 0.00 -0.21 0.00 1.21 -1.51 0.00 0.00 177.10 176.59 1rk7 n GLU 132 N 4.55 0.00 0.01 -0.60 2.13 -1.26 -4.73 120.64 120.74 1rk7 n GLU 132 Ca -0.19 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.63 1rk7 n GLU 132 Cb 0.54 -2.16 0.00 0.00 0.27 0.00 0.00 31.44 30.09 1rk7 n GLU 132 CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76 1rk7 n GLN 133 N -2.00 0.00 0.10 5.31 3.00 -1.26 -4.67 117.38 117.85 1rk7 n GLN 133 Ca 0.00 0.00 -0.16 0.00 -0.01 0.00 0.00 57.00 56.83 1rk7 n GLN 133 Cb 0.00 -0.50 -0.14 0.00 0.00 0.00 0.00 30.24 29.60 1rk7 n GLN 133 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.06 177.72 1rk7 h SER 134 N 0.00 0.43 0.08 1.08 4.64 -1.84 0.35 113.55 118.29 1rk7 h SER 134 Ca 0.00 -0.48 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 1rk7 h SER 134 Cb 0.73 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 62.68 1rk7 h SER 134 CO 0.00 1.38 0.00 1.07 -0.87 0.00 0.00 176.83 178.41 1rk7 n THR 135 N -3.52 1.18 -0.03 2.95 5.66 -1.26 -3.04 114.28 116.22 1rk7 n THR 135 Ca -0.10 0.64 -0.07 0.00 -3.05 0.00 0.00 64.05 61.48 1rk7 n THR 135 Cb 1.03 -1.63 -0.02 0.00 -1.55 0.00 0.00 70.33 68.16 1rk7 n THR 135 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 1rk7 n LYS 136 N -2.12 0.15 0.00 1.09 5.02 -1.20 -3.97 118.16 117.14 1rk7 n LYS 136 Ca -0.01 0.07 0.00 0.00 -2.02 0.00 0.00 58.31 56.35 1rk7 n LYS 136 Cb 0.05 -0.76 0.00 0.00 -0.02 0.00 0.00 35.03 34.30 1rk7 n LYS 136 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1rk7 n THR 137 N -3.44 0.00 -2.22 -0.18 -2.24 0.11 -4.95 114.28 101.37 1rk7 n THR 137 Ca -0.12 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.64 1rk7 n THR 137 Cb 0.49 0.00 0.02 0.00 -2.10 0.00 0.00 70.33 68.74 1rk7 n THR 137 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1rk7 n GLY 138 N 4.17 0.13 2.60 3.38 0.00 -0.69 -4.63 105.19 110.15 1rk7 n GLY 138 Ca 0.00 -0.04 -0.05 0.00 0.00 0.00 0.00 46.02 45.93 1rk7 n GLY 138 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1rk7 n ASN 139 N -0.39 -1.64 -0.07 1.61 2.85 -1.08 -4.47 115.26 112.07 1rk7 n ASN 139 Ca -0.09 0.34 -0.05 0.00 -0.11 0.00 0.00 54.58 54.67 1rk7 n ASN 139 Cb 0.57 -1.51 -0.02 0.00 1.24 0.00 0.00 39.78 40.06 1rk7 n ASN 139 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1rk7 n ALA 140 N -2.55 0.51 -2.00 5.20 0.00 -1.26 -5.01 120.51 115.40 1rk7 n ALA 140 Ca -0.02 -0.49 0.00 0.00 0.00 0.00 0.00 53.44 52.93 1rk7 n ALA 140 Cb 0.52 0.02 0.00 0.00 0.00 0.00 0.00 19.45 19.99 1rk7 n ALA 140 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rk7 n GLY 141 N 1.58 1.11 0.00 0.00 0.00 -1.26 -4.39 105.19 102.24 1rk7 n GLY 141 Ca -0.08 0.29 0.00 0.00 0.00 0.00 0.00 46.02 46.23 1rk7 n GLY 141 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1rk7 n SER 142 N 0.00 0.00 -4.67 1.61 2.88 -1.26 -4.92 113.62 107.26 1rk7 n SER 142 Ca 0.00 -0.04 -0.38 0.00 -1.33 0.00 0.00 58.87 57.12 1rk7 n SER 142 Cb 0.00 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.39 1rk7 n SER 142 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 1rk7 s ARG 143 N 0.88 4.17 0.06 -1.46 3.00 -1.26 -3.64 118.95 120.70 1rk7 s ARG 143 Ca 0.00 0.23 0.02 0.00 0.00 0.00 0.00 55.73 55.98 1rk7 s ARG 143 Cb 0.00 -3.54 -0.03 0.00 0.00 0.00 0.00 34.95 31.38 1rk7 s ARG 143 CO 0.00 -0.06 -0.07 -0.51 0.00 0.00 0.00 175.30 174.66 1rk7 s LEU 144 N 1.37 2.35 0.22 2.53 1.43 0.23 -4.89 118.68 121.93 1rk7 s LEU 144 Ca 0.20 -0.71 0.00 0.00 -1.03 0.00 0.00 54.13 52.58 1rk7 s LEU 144 Cb -0.15 -0.09 0.00 0.00 0.03 0.00 0.00 46.19 45.98 1rk7 s LEU 144 CO 0.08 -0.32 0.00 0.00 0.23 0.00 0.00 176.35 176.35 1rk7 n ALA 145 N 0.93 -1.38 -2.86 4.21 0.00 -1.26 0.14 120.51 120.29 1rk7 n ALA 145 Ca -0.19 0.34 -0.12 0.00 0.00 0.00 0.00 53.44 53.47 1rk7 n ALA 145 Cb 0.57 -0.57 0.04 0.00 0.00 0.00 0.00 19.45 19.49 1rk7 n ALA 145 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1rk7 n GLY 147 N 0.81 3.69 3.76 0.00 0.00 -1.25 -4.68 105.19 107.51 1rk7 n GLY 147 Ca 0.12 -1.22 -0.41 0.00 0.00 0.00 0.00 46.02 44.51 1rk7 n GLY 147 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1rk7 s VAL 148 N 2.95 3.11 -0.05 1.61 1.01 -1.26 -3.70 120.40 124.08 1rk7 s VAL 148 Ca 0.55 1.06 -0.30 0.00 0.00 0.00 0.00 61.98 63.29 1rk7 s VAL 148 Cb 0.14 -3.67 -0.04 0.00 0.00 0.00 0.00 36.38 32.81 1rk7 s VAL 148 CO -0.04 0.23 1.37 -0.63 0.00 0.00 0.00 175.10 176.03 1rk7 s ILE 149 N -0.80 3.90 -0.10 2.22 1.09 -1.16 -4.08 121.20 122.26 1rk7 s ILE 149 Ca 0.49 1.21 -0.03 0.00 -1.10 0.00 0.00 60.65 61.22 1rk7 s ILE 149 Cb -0.36 -3.78 0.04 0.00 -1.06 0.00 0.00 42.46 37.30 1rk7 s ILE 149 CO 0.45 -0.04 0.07 -0.83 -0.10 0.00 0.00 174.94 174.49 1rk7 s GLY 150 N 2.04 0.29 0.34 6.18 0.00 0.18 -4.07 107.32 112.27 1rk7 s GLY 150 Ca 0.62 -0.05 -0.24 0.00 0.00 0.00 0.00 44.72 45.05 1rk7 s GLY 150 CO 0.24 1.53 0.34 1.39 0.00 0.00 0.00 173.10 176.60 1rk7 n ILE 151 N 5.28 1.33 -4.16 0.90 2.08 -1.26 -1.34 119.36 122.19 1rk7 n ILE 151 Ca -0.05 -0.50 -0.14 0.00 0.56 0.00 0.00 62.75 62.62 1rk7 n ILE 151 Cb 0.50 -0.14 -0.07 0.00 -0.75 0.00 0.00 39.64 39.18 1rk7 n ILE 151 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1rk7 s ALA 152 N -1.40 1.05 -1.42 -1.39 0.00 -0.31 -4.74 121.76 113.55 1rk7 s ALA 152 Ca 0.61 -1.64 0.11 0.00 0.00 0.00 0.00 51.96 51.05 1rk7 s ALA 152 Cb -0.73 1.30 0.09 0.00 0.00 0.00 0.00 23.12 23.78 1rk7 s ALA 152 CO 0.60 -0.71 0.86 0.00 0.00 0.00 0.00 175.76 176.51