#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 5.11 -0.21 0.00 2.01 -1.26 -4.80 115.64 116.49 1rk7 s THR 2 Ca 0.00 0.96 -0.10 0.00 0.31 0.00 0.00 61.69 62.85 1rk7 s THR 2 Cb 0.00 -3.84 -0.05 0.00 0.01 0.00 0.00 72.50 68.62 1rk7 s THR 2 CO 0.00 0.19 0.14 -0.75 -0.69 0.00 0.00 174.62 173.51 1rk7 s LYS 3 N 1.58 4.16 0.29 4.92 2.36 -1.26 -3.41 119.74 128.38 1rk7 s LYS 3 Ca 0.24 -0.23 0.08 0.00 -2.55 0.00 0.00 55.97 53.51 1rk7 s LYS 3 Cb -0.15 -3.45 -0.04 0.00 -1.05 0.00 0.00 37.83 33.14 1rk7 s LYS 3 CO 0.10 0.23 0.18 0.00 1.55 0.00 0.00 175.35 177.41 1rk7 s ALA 4 N 0.55 3.58 0.00 3.13 0.00 0.73 0.13 121.76 129.88 1rk7 s ALA 4 Ca 0.08 -1.58 -0.00 0.00 0.00 0.00 0.00 51.96 50.46 1rk7 s ALA 4 Cb -0.12 -1.10 -0.00 0.00 0.00 0.00 0.00 23.12 21.90 1rk7 s ALA 4 CO -0.00 0.16 -0.00 0.14 0.00 0.00 0.00 175.76 176.05 1rk7 s VAL 5 N -2.25 0.02 -0.22 0.00 -7.23 0.13 0.28 120.40 111.13 1rk7 s VAL 5 Ca 0.35 -0.17 -0.03 0.00 -1.81 0.00 0.00 61.98 60.32 1rk7 s VAL 5 Cb -0.06 -0.06 0.07 0.00 0.56 0.00 0.00 36.38 36.89 1rk7 s VAL 5 CO 0.24 -0.10 0.08 0.00 -0.31 0.00 0.00 175.10 175.02 1rk7 s ALA 6 N -0.28 0.81 -0.99 1.32 0.00 0.36 -2.34 121.76 120.65 1rk7 s ALA 6 Ca -0.03 -0.78 -0.22 0.00 0.00 0.00 0.00 51.96 50.93 1rk7 s ALA 6 Cb -0.02 -1.23 0.07 0.00 0.00 0.00 0.00 23.12 21.94 1rk7 s ALA 6 CO -0.00 -1.34 1.36 0.14 0.00 0.00 0.00 175.76 175.92 1rk7 s VAL 7 N 1.97 4.12 0.10 0.00 -7.23 -1.26 -1.28 120.40 116.81 1rk7 s VAL 7 Ca 0.03 -0.93 -0.30 0.00 -1.81 0.00 0.00 61.98 58.97 1rk7 s VAL 7 Cb -0.17 -4.98 -0.16 0.00 0.56 0.00 0.00 36.38 31.63 1rk7 s VAL 7 CO -0.17 -1.82 0.69 0.18 -0.31 0.00 0.00 175.10 173.67 1rk7 n LEU 8 N 8.30 -0.61 -0.03 1.32 7.99 -1.13 -4.69 117.00 128.16 1rk7 n LEU 8 Ca 0.30 1.02 -0.08 0.00 -0.01 0.00 0.00 56.01 57.23 1rk7 n LEU 8 Cb 0.50 -0.83 -0.07 0.00 -0.11 0.00 0.00 43.42 42.91 1rk7 n LEU 8 CO 0.62 -2.22 0.26 0.50 -1.51 0.00 0.00 177.39 175.04 1rk7 h LYS 9 N 1.70 -0.05 -1.52 3.23 3.11 -1.89 -3.40 116.57 117.75 1rk7 h LYS 9 Ca -0.34 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.50 1rk7 h LYS 9 Cb 1.28 0.01 0.00 0.00 -1.00 0.00 0.00 32.23 32.52 1rk7 h LYS 9 CO 0.54 0.46 -0.16 0.41 -2.81 0.00 0.00 179.45 177.90 1rk7 n GLY 10 N 1.42 -3.93 0.34 5.01 0.00 -1.26 -4.68 105.19 102.10 1rk7 n GLY 10 Ca -0.06 -0.69 0.20 0.00 0.00 0.00 0.00 46.02 45.46 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 0.70 0.00 0.00 1.61 3.58 -1.81 -3.44 116.42 117.06 1rk7 h ASP 11 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1rk7 h ASP 11 Cb 0.00 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.05 1rk7 h ASP 11 CO 0.00 0.00 0.00 0.61 -2.88 0.00 0.00 179.24 176.97 1rk7 n GLY 12 N -1.17 -1.94 0.16 -0.78 0.00 -1.26 -5.02 105.19 95.18 1rk7 n GLY 12 Ca -0.02 0.65 -0.05 0.00 0.00 0.00 0.00 46.02 46.60 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 -0.30 -5.62 1.61 0.13 -1.86 -3.46 132.00 122.50 1rk7 h PRO 13 Ca 0.00 0.02 -0.59 0.00 -0.87 0.00 0.00 66.00 64.56 1rk7 h PRO 13 Cb 0.00 0.07 0.14 0.00 0.13 0.00 0.00 31.00 31.33 1rk7 h PRO 13 CO 0.00 -0.20 -0.79 0.28 -0.23 0.00 0.00 178.00 177.06 1rk7 n VAL 14 N -4.71 0.92 0.00 1.56 0.31 -1.21 -4.35 118.33 110.84 1rk7 n VAL 14 Ca -0.04 -0.47 0.00 0.00 -0.01 0.00 0.00 64.34 63.82 1rk7 n VAL 14 Cb 0.12 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.05 1rk7 n VAL 14 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 1rk7 n GLN 15 N 1.18 0.00 0.00 5.55 7.27 -0.24 -3.98 117.38 127.16 1rk7 n GLN 15 Ca 0.12 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.19 1rk7 n GLN 15 Cb 0.34 0.00 0.00 0.00 2.41 0.00 0.00 30.24 32.99 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 0.00 3.39 3.34 1.69 0.00 -1.25 -4.54 105.19 107.82 1rk7 n GLY 16 Ca 0.00 -1.92 -0.09 0.00 0.00 0.00 0.00 46.02 44.01 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 -0.28 -0.11 -0.61 1.01 -0.47 -2.83 121.20 120.24 1rk7 s ILE 17 Ca 0.00 0.10 0.02 0.00 0.00 0.00 0.00 60.65 60.78 1rk7 s ILE 17 Cb 0.00 -0.70 0.01 0.00 0.01 0.00 0.00 42.46 41.78 1rk7 s ILE 17 CO 0.00 0.04 -0.18 -0.51 0.00 0.00 0.00 174.94 174.29 1rk7 s ILE 18 N 1.92 1.71 0.23 2.92 -1.16 -0.41 -0.43 121.20 125.98 1rk7 s ILE 18 Ca -0.07 -0.78 0.08 0.00 -0.51 0.00 0.00 60.65 59.37 1rk7 s ILE 18 Cb -0.09 -1.53 -0.04 0.00 0.61 0.00 0.00 42.46 41.41 1rk7 s ILE 18 CO -0.14 0.48 0.03 0.20 -2.81 0.00 0.00 174.94 172.70 1rk7 s ASN 19 N 0.80 4.79 -0.41 4.50 0.01 -0.11 0.13 114.94 124.65 1rk7 s ASN 19 Ca -0.10 -0.49 0.02 0.00 -0.71 0.00 0.00 52.86 51.58 1rk7 s ASN 19 Cb -0.16 -1.00 0.13 0.00 0.41 0.00 0.00 41.25 40.64 1rk7 s ASN 19 CO 0.01 0.03 0.22 -0.36 -1.51 0.00 0.00 177.10 175.48 1rk7 s PHE 20 N -2.08 1.84 -0.06 2.20 0.40 0.14 -3.08 117.98 117.33 1rk7 s PHE 20 Ca 0.30 -2.27 -0.02 0.00 -0.60 0.00 0.00 56.93 54.34 1rk7 s PHE 20 Cb -0.08 -1.78 -0.04 0.00 0.51 0.00 0.00 43.02 41.64 1rk7 s PHE 20 CO 0.20 -0.80 0.03 -2.00 0.70 0.00 0.00 175.22 173.35 1rk7 s GLU 21 N 0.58 3.02 -0.45 0.44 2.12 -1.08 -0.19 118.70 123.13 1rk7 s GLU 21 Ca 0.17 -0.42 0.09 0.00 0.36 0.00 0.00 54.97 55.17 1rk7 s GLU 21 Cb -0.24 -2.83 0.35 0.00 0.26 0.00 0.00 34.13 31.67 1rk7 s GLU 21 CO -0.02 0.69 0.83 0.94 -0.54 0.00 0.00 175.26 177.15 1rk7 n GLN 22 N 1.82 1.90 -0.94 4.30 0.00 -1.22 0.22 117.38 123.45 1rk7 n GLN 22 Ca -0.17 -3.97 -0.30 0.00 -0.00 0.00 0.00 57.00 52.56 1rk7 n GLN 22 Cb 0.53 -1.91 -0.03 0.00 0.00 0.00 0.00 30.24 28.83 1rk7 n GLN 22 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 1rk7 n LYS 23 N 0.05 2.04 -4.12 3.69 5.02 -1.26 0.14 118.16 123.71 1rk7 n LYS 23 Ca 0.27 -1.67 -0.11 0.00 -2.02 0.00 0.00 58.31 54.78 1rk7 n LYS 23 Cb 0.56 -2.65 -0.08 0.00 -0.02 0.00 0.00 35.03 32.83 1rk7 n LYS 23 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1rk7 s GLU 24 N 3.81 1.31 -0.62 1.97 0.41 -1.26 -4.91 118.70 119.41 1rk7 s GLU 24 Ca 0.47 -1.48 -0.05 0.00 -0.41 0.00 0.00 54.97 53.50 1rk7 s GLU 24 Cb 0.12 0.34 -0.08 0.00 -1.78 0.00 0.00 34.13 32.73 1rk7 s GLU 24 CO 0.01 -0.47 2.16 0.43 -0.49 0.00 0.00 175.26 176.89 1rk7 n SER 25 N -0.30 4.31 -1.54 -0.19 7.64 -1.26 -4.15 113.62 118.13 1rk7 n SER 25 Ca 0.00 -2.23 -0.15 0.00 1.01 0.00 0.00 58.87 57.49 1rk7 n SER 25 Cb 0.64 -1.00 -0.03 0.00 -1.01 0.00 0.00 64.21 62.81 1rk7 n SER 25 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1rk7 n ASN 26 N 3.72 -4.74 0.00 6.43 3.02 -1.26 -4.99 115.26 117.44 1rk7 n ASN 26 Ca 0.38 0.14 0.00 0.00 -0.03 0.00 0.00 54.58 55.07 1rk7 n ASN 26 Cb 0.26 -3.76 0.00 0.00 -0.61 0.00 0.00 39.78 35.66 1rk7 n ASN 26 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1rk7 n GLY 27 N -1.04 1.04 3.80 7.41 0.00 -1.26 -5.03 105.19 110.12 1rk7 n GLY 27 Ca -0.17 -1.19 -0.34 0.00 0.00 0.00 0.00 46.02 44.32 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 0.98 3.69 -0.07 1.61 0.04 -1.26 -4.82 135.00 135.16 1rk7 s PRO 28 Ca 0.00 1.31 -0.17 0.00 0.04 0.00 0.00 61.00 62.18 1rk7 s PRO 28 Cb 0.00 -2.08 -0.05 0.00 0.04 0.00 0.00 34.50 32.41 1rk7 s PRO 28 CO 0.00 -0.52 0.44 0.08 0.04 0.00 0.00 177.00 177.04 1rk7 s VAL 29 N -2.12 5.12 -0.84 -0.36 1.01 0.35 -4.76 120.40 118.80 1rk7 s VAL 29 Ca 0.66 0.89 -0.25 0.00 0.00 0.00 0.00 61.98 63.28 1rk7 s VAL 29 Cb -0.16 -3.77 0.02 0.00 0.00 0.00 0.00 36.38 32.47 1rk7 s VAL 29 CO 0.25 0.42 1.47 -0.54 0.00 0.00 0.00 175.10 176.70 1rk7 s LYS 30 N -0.02 3.21 -0.26 2.72 1.02 0.58 -1.96 119.74 125.03 1rk7 s LYS 30 Ca 0.24 -0.46 -0.20 0.00 0.02 0.00 0.00 55.97 55.57 1rk7 s LYS 30 Cb -0.16 -4.71 -0.02 0.00 -0.52 0.00 0.00 37.83 32.43 1rk7 s LYS 30 CO 0.11 -2.35 0.64 0.08 -0.92 0.00 0.00 175.35 172.90 1rk7 s VAL 31 N 6.27 4.98 -0.08 3.17 1.01 0.18 -2.63 120.40 133.30 1rk7 s VAL 31 Ca 0.46 1.13 -0.29 0.00 0.00 0.00 0.00 61.98 63.28 1rk7 s VAL 31 Cb -0.06 -3.94 0.07 0.00 0.00 0.00 0.00 36.38 32.45 1rk7 s VAL 31 CO 0.05 0.01 0.65 -1.66 0.00 0.00 0.00 175.10 174.16 1rk7 s TRP 32 N 2.53 -0.64 0.00 5.22 -2.14 -1.18 0.24 118.94 122.98 1rk7 s TRP 32 Ca 0.26 1.17 0.00 0.00 2.66 0.00 0.00 56.10 60.19 1rk7 s TRP 32 Cb -0.15 0.36 0.00 0.00 -3.10 0.00 0.00 33.47 30.58 1rk7 s TRP 32 CO 0.09 -0.56 0.00 0.41 -2.66 0.00 0.00 176.95 174.23 1rk7 n GLY 33 N 1.21 1.42 3.33 3.67 0.00 -1.19 -0.93 105.19 112.69 1rk7 n GLY 33 Ca -0.18 -0.62 -0.14 0.00 0.00 0.00 0.00 46.02 45.07 1rk7 n GLY 33 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1rk7 s SER 34 N 2.00 -0.33 -0.29 1.61 0.15 0.43 -2.29 113.70 114.97 1rk7 s SER 34 Ca 0.00 0.24 -0.02 0.00 0.70 0.00 0.00 55.95 56.87 1rk7 s SER 34 Cb 0.00 0.39 0.12 0.00 -1.71 0.00 0.00 66.02 64.82 1rk7 s SER 34 CO 0.00 -0.52 0.22 -0.63 1.20 0.00 0.00 173.24 173.50 1rk7 s ILE 35 N -1.47 -0.25 -0.25 6.45 1.01 0.34 -1.36 121.20 125.67 1rk7 s ILE 35 Ca -0.12 -0.63 -0.08 0.00 0.00 0.00 0.00 60.65 59.83 1rk7 s ILE 35 Cb -0.03 -0.98 -0.03 0.00 0.01 0.00 0.00 42.46 41.42 1rk7 s ILE 35 CO 0.05 -0.59 0.09 -1.59 0.00 0.00 0.00 174.94 172.89 1rk7 s LYS 36 N 2.22 3.71 0.00 2.79 -2.85 -1.26 0.99 119.74 125.34 1rk7 s LYS 36 Ca 0.09 -0.45 0.00 0.00 -1.00 0.00 0.00 55.97 54.61 1rk7 s LYS 36 Cb -0.15 -3.37 0.00 0.00 -2.06 0.00 0.00 37.83 32.25 1rk7 s LYS 36 CO -0.34 -0.17 0.00 0.41 0.10 0.00 0.00 175.35 175.34 1rk7 n GLY 37 N 4.91 1.60 0.00 0.59 0.00 -1.25 -1.08 105.19 109.96 1rk7 n GLY 37 Ca -0.16 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.73 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 -3.65 0.99 4.32 -1.26 -4.45 117.00 112.95 1rk7 n LEU 38 Ca 0.00 0.00 -0.14 0.00 -0.02 0.00 0.00 56.01 55.85 1rk7 n LEU 38 Cb 0.00 0.00 -0.08 0.00 -1.62 0.00 0.00 43.42 41.72 1rk7 n LEU 38 CO 0.00 0.00 0.33 0.42 -1.22 0.00 0.00 177.39 176.92 1rk7 s THR 39 N 0.00 0.00 -0.50 -5.08 -4.23 -1.26 -4.34 115.64 100.24 1rk7 s THR 39 Ca 0.00 -0.01 -0.44 0.00 -1.18 0.00 0.00 61.69 60.06 1rk7 s THR 39 Cb 0.00 -0.88 -0.19 0.00 1.34 0.00 0.00 72.50 72.77 1rk7 s THR 39 CO 0.00 -0.01 2.13 -1.84 -0.54 0.00 0.00 174.62 174.36 1rk7 n GLU 40 N 2.53 0.02 -3.55 3.99 -0.00 -1.26 -4.60 120.64 117.77 1rk7 n GLU 40 Ca -0.14 0.01 0.00 0.00 -0.00 0.00 0.00 57.16 57.02 1rk7 n GLU 40 Cb 0.56 -1.52 0.00 0.00 -0.00 0.00 0.00 31.44 30.48 1rk7 n GLU 40 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1rk7 n GLY 41 N 7.42 -1.80 3.82 -1.84 0.00 -1.26 -4.91 105.19 106.61 1rk7 n GLY 41 Ca 0.54 -1.13 -0.33 0.00 0.00 0.00 0.00 46.02 45.11 1rk7 n GLY 41 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1rk7 s LEU 42 N 0.00 3.74 -0.04 0.99 1.02 -1.26 -1.97 118.68 121.16 1rk7 s LEU 42 Ca 0.00 1.74 -0.12 0.00 0.02 0.00 0.00 54.13 55.76 1rk7 s LEU 42 Cb 0.00 -4.53 0.02 0.00 0.02 0.00 0.00 46.19 41.70 1rk7 s LEU 42 CO 0.00 -0.68 0.28 -1.00 0.02 0.00 0.00 176.35 174.97 1rk7 s HIS 43 N -2.31 -0.19 0.00 0.29 3.76 0.20 -1.94 115.29 115.09 1rk7 s HIS 43 Ca 0.63 0.37 0.00 0.00 -0.15 0.00 0.00 55.06 55.91 1rk7 s HIS 43 Cb -0.12 0.08 0.00 0.00 1.11 0.00 0.00 32.58 33.65 1rk7 s HIS 43 CO 0.24 -0.30 0.00 0.41 -0.85 0.00 0.00 174.74 174.24 1rk7 n GLY 44 N 1.81 -3.47 3.88 -2.22 0.00 -1.24 0.99 105.19 104.94 1rk7 n GLY 44 Ca -0.19 -1.20 -0.21 0.00 0.00 0.00 0.00 46.02 44.43 1rk7 n GLY 44 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1rk7 s PHE 45 N -0.19 2.82 -1.12 1.61 5.36 -1.23 -3.40 117.98 121.83 1rk7 s PHE 45 Ca 0.00 -0.39 -0.08 0.00 -0.96 0.00 0.00 56.93 55.50 1rk7 s PHE 45 Cb 0.00 -2.02 0.28 0.00 -0.34 0.00 0.00 43.02 40.94 1rk7 s PHE 45 CO 0.00 -0.01 1.22 -2.39 -1.46 0.00 0.00 175.22 172.58 1rk7 n HIS 46 N -1.50 4.64 -3.73 10.12 1.44 -1.24 -4.37 115.22 120.58 1rk7 n HIS 46 Ca 0.01 -3.60 -0.12 0.00 -2.01 0.00 0.00 57.72 52.00 1rk7 n HIS 46 Cb 0.60 -1.65 -0.11 0.00 0.12 0.00 0.00 29.99 28.95 1rk7 n HIS 46 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 1rk7 s VAL 47 N -1.41 -0.02 -0.29 0.61 1.01 -1.26 -4.54 120.40 114.50 1rk7 s VAL 47 Ca 0.32 0.07 -0.16 0.00 0.00 0.00 0.00 61.98 62.20 1rk7 s VAL 47 Cb -0.06 -0.52 0.14 0.00 0.00 0.00 0.00 36.38 35.94 1rk7 s VAL 47 CO -0.04 0.03 0.95 -1.38 0.00 0.00 0.00 175.10 174.66 1rk7 s HIS 48 N 0.87 -0.62 -0.54 5.22 -3.43 -1.24 -4.55 115.29 111.00 1rk7 s HIS 48 Ca -0.06 1.24 -0.26 0.00 -0.80 0.00 0.00 55.06 55.19 1rk7 s HIS 48 Cb -0.06 0.37 0.04 0.00 -1.43 0.00 0.00 32.58 31.50 1rk7 s HIS 48 CO -0.06 -0.31 0.65 -1.91 -2.00 0.00 0.00 174.74 171.10 1rk7 n GLU 49 N 3.78 -1.89 -1.75 -0.38 2.13 -1.26 -4.78 120.64 116.49 1rk7 n GLU 49 Ca -0.19 1.40 -0.42 0.00 0.66 0.00 0.00 57.16 58.61 1rk7 n GLU 49 Cb 0.58 -2.85 -0.03 0.00 0.27 0.00 0.00 31.44 29.41 1rk7 n GLU 49 CO 0.00 0.00 0.00 -1.83 -0.41 0.00 0.00 177.13 174.89 1rk7 s GLU 50 N -3.02 4.14 0.46 5.31 -1.05 -1.26 -4.62 118.70 118.66 1rk7 s GLU 50 Ca 0.27 2.57 0.00 0.00 -0.15 0.00 0.00 54.97 57.65 1rk7 s GLU 50 Cb -0.03 -3.41 0.00 0.00 -0.44 0.00 0.00 34.13 30.25 1rk7 s GLU 50 CO 0.86 -0.79 0.00 0.39 0.95 0.00 0.00 175.26 176.67 1rk7 n GLU 51 N 5.05 -3.15 0.00 -4.83 1.02 -1.26 -4.96 120.64 112.51 1rk7 n GLU 51 Ca 0.17 2.46 0.00 0.00 -0.02 0.00 0.00 57.16 59.76 1rk7 n GLU 51 Cb 0.37 -3.10 0.00 0.00 -0.02 0.00 0.00 31.44 28.69 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 -2.49 0.00 -2.98 1.62 2.03 -1.26 -5.07 116.55 108.40 1rk7 n ASP 52 Ca -0.01 0.00 -0.19 0.00 0.52 0.00 0.00 54.79 55.11 1rk7 n ASP 52 Cb 0.39 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.77 1rk7 n ASP 52 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1rk7 n ASN 53 N 0.00 2.08 0.00 1.67 4.13 -1.26 -4.80 115.26 117.08 1rk7 n ASN 53 Ca 0.00 -3.16 0.00 0.00 1.68 0.00 0.00 54.58 53.10 1rk7 n ASN 53 Cb 0.00 -0.58 0.00 0.00 -1.54 0.00 0.00 39.78 37.66 1rk7 n ASN 53 CO 0.00 0.00 0.00 1.07 0.28 0.00 0.00 177.26 178.61 1rk7 n THR 54 N 0.04 0.00 0.00 3.41 5.66 -1.26 -5.13 114.28 117.00 1rk7 n THR 54 Ca 0.24 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.24 1rk7 n THR 54 Cb 0.63 -0.09 0.00 0.00 -1.55 0.00 0.00 70.33 69.32 1rk7 n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1rk7 n ALA 55 N -2.13 0.00 -0.14 1.79 0.00 -1.26 -5.08 120.51 113.70 1rk7 n ALA 55 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.17 1rk7 n ALA 55 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.35 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 -0.43 2.37 0.00 0.00 -1.26 -4.49 105.19 101.39 1rk7 n GLY 56 Ca 0.00 -0.15 -0.28 0.00 0.00 0.00 0.00 46.02 45.59 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 1.64 0.18 -3.42 0.00 -1.04 -1.26 -5.07 114.28 105.31 1rk7 n THR 58 Ca 0.54 -0.10 -0.32 0.00 -2.04 0.00 0.00 64.05 62.12 1rk7 n THR 58 Cb 0.52 -0.83 0.03 0.00 -1.82 0.00 0.00 70.33 68.23 1rk7 n THR 58 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 1rk7 n SER 59 N -2.25 -5.89 -0.45 8.00 3.41 -1.25 -4.91 113.62 110.28 1rk7 n SER 59 Ca -0.05 -0.12 0.00 0.00 -0.26 0.00 0.00 58.87 58.45 1rk7 n SER 59 Cb 0.58 -2.33 0.00 0.00 -0.26 0.00 0.00 64.21 62.20 1rk7 n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1rk7 n ALA 60 N -0.45 1.90 0.00 7.33 0.00 -1.26 -5.04 120.51 123.00 1rk7 n ALA 60 Ca -0.07 -0.55 0.00 0.00 0.00 0.00 0.00 53.44 52.81 1rk7 n ALA 60 Cb 0.65 -0.26 0.00 0.00 0.00 0.00 0.00 19.45 19.83 1rk7 n ALA 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rk7 n GLY 61 N 0.00 1.51 3.70 0.00 0.00 -1.26 -5.12 105.19 104.03 1rk7 n GLY 61 Ca 0.00 -0.14 -0.42 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.04 4.42 -0.80 1.61 0.04 -1.26 -4.95 135.00 134.02 1rk7 s PRO 62 Ca 0.00 1.71 0.01 0.00 0.04 0.00 0.00 61.00 62.76 1rk7 s PRO 62 Cb 0.00 -3.42 0.35 0.00 0.04 0.00 0.00 34.50 31.47 1rk7 s PRO 62 CO 0.00 -0.30 1.64 1.58 0.04 0.00 0.00 177.00 179.96 1rk7 n HIS 63 N 4.31 3.15 -1.01 0.56 -0.00 -1.26 -5.00 115.22 115.98 1rk7 n HIS 63 Ca 0.09 -2.80 -0.33 0.00 0.46 0.00 0.00 57.72 55.14 1rk7 n HIS 63 Cb 0.47 -0.90 0.02 0.00 -0.12 0.00 0.00 29.99 29.45 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 -0.32 -3.41 -3.09 1.57 3.72 -1.26 -4.69 117.46 109.98 1rk7 n PHE 64 Ca 0.46 0.22 -0.38 0.00 -0.05 0.00 0.00 57.45 57.70 1rk7 n PHE 64 Cb 0.33 -1.40 -0.06 0.00 -0.94 0.00 0.00 39.48 37.42 1rk7 n PHE 64 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 1rk7 s ASN 65 N -0.88 7.19 -0.73 4.37 2.47 -1.26 -4.91 114.94 121.18 1rk7 s ASN 65 Ca 0.44 1.47 -0.06 0.00 0.42 0.00 0.00 52.86 55.13 1rk7 s ASN 65 Cb -0.32 -2.44 -0.12 0.00 -1.45 0.00 0.00 41.25 36.92 1rk7 s ASN 65 CO 0.64 0.15 2.63 -0.81 -3.72 0.00 0.00 177.10 175.99 1rk7 n PRO 66 N 1.26 2.27 -0.02 0.43 -0.04 -1.26 -3.60 135.00 134.03 1rk7 n PRO 66 Ca -0.05 -1.36 -0.04 0.00 -0.04 0.00 0.00 63.50 62.01 1rk7 n PRO 66 Cb 0.50 -2.31 -0.02 0.00 -0.04 0.00 0.00 33.50 31.63 1rk7 n PRO 66 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1rk7 n LEU 67 N 3.41 2.40 -0.25 1.53 4.32 -1.26 -4.59 117.00 122.56 1rk7 n LEU 67 Ca 0.48 -0.01 0.32 0.00 -0.02 0.00 0.00 56.01 56.79 1rk7 n LEU 67 Cb 0.38 -0.16 0.64 0.00 -1.62 0.00 0.00 43.42 42.67 1rk7 n LEU 67 CO 0.52 0.47 1.29 0.28 -1.22 0.00 0.00 177.39 178.74 1rk7 h SER 68 N -0.04 0.00 0.00 -1.43 0.02 -1.87 -3.40 113.55 106.84 1rk7 h SER 68 Ca -0.11 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.84 1rk7 h SER 68 Cb 1.15 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.69 1rk7 h SER 68 CO -0.03 0.00 0.00 0.54 -1.14 0.00 0.00 176.83 176.20 1rk7 n ARG 69 N -3.66 0.00 -3.12 3.45 1.74 -1.26 -2.74 116.66 111.07 1rk7 n ARG 69 Ca 0.23 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.31 1rk7 n ARG 69 Cb 1.33 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.77 1rk7 n ARG 69 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1rk7 n LYS 70 N 0.00 -2.84 -1.53 5.56 5.02 -1.26 -5.05 118.16 118.06 1rk7 n LYS 70 Ca 0.00 0.00 -0.45 0.00 -2.02 0.00 0.00 58.31 55.84 1rk7 n LYS 70 Cb 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 34.99 1rk7 n LYS 70 CO 0.00 0.00 0.00 1.58 -0.52 0.00 0.00 177.40 178.46 1rk7 n HIS 71 N 0.05 0.74 -0.38 2.13 -0.00 0.33 -4.52 115.22 113.58 1rk7 n HIS 71 Ca 0.00 0.77 0.00 0.00 -0.00 0.00 0.00 57.72 58.49 1rk7 n HIS 71 Cb 0.00 -2.16 0.00 0.00 -0.00 0.00 0.00 29.99 27.83 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 1.45 3.22 0.00 1.57 0.00 -1.26 -4.72 105.19 105.44 1rk7 n GLY 72 Ca 0.12 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.92 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 4.22 0.13 -0.02 0.00 -1.26 -4.87 105.19 103.39 1rk7 n GLY 73 Ca 0.00 -0.40 -0.07 0.00 0.00 0.00 0.00 46.02 45.55 1rk7 n GLY 73 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1rk7 h PRO 74 N 0.00 0.16 -0.32 1.61 0.13 -1.94 -3.45 132.00 128.19 1rk7 h PRO 74 Ca 0.00 -0.16 0.22 0.00 -0.87 0.00 0.00 66.00 65.20 1rk7 h PRO 74 Cb 0.00 0.04 -0.20 0.00 0.13 0.00 0.00 31.00 30.97 1rk7 h PRO 74 CO 0.00 0.87 0.06 0.21 -0.23 0.00 0.00 178.00 178.91 1rk7 s LYS 75 N -3.34 0.18 0.00 0.86 2.36 -1.26 -4.96 119.74 113.58 1rk7 s LYS 75 Ca -0.03 0.26 0.00 0.00 -2.55 0.00 0.00 55.97 53.66 1rk7 s LYS 75 Cb 0.11 0.14 0.00 0.00 -1.05 0.00 0.00 37.83 37.03 1rk7 s LYS 75 CO 0.81 -0.26 0.00 -3.47 1.55 0.00 0.00 175.35 173.98 1rk7 n ASP 76 N 5.33 0.00 -0.01 1.43 -0.08 -1.26 -4.93 116.55 117.03 1rk7 n ASP 76 Ca -0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1rk7 n ASP 76 Cb 0.55 0.00 0.01 0.00 2.34 0.00 0.00 41.12 44.02 1rk7 n ASP 76 CO 0.00 0.00 0.00 1.21 0.12 0.00 0.00 177.20 178.53 1rk7 n GLU 77 N -0.42 2.34 0.00 -0.67 4.07 -1.26 -5.01 120.64 119.68 1rk7 n GLU 77 Ca 0.00 -1.36 0.00 0.00 -0.06 0.00 0.00 57.16 55.74 1rk7 n GLU 77 Cb 0.00 -0.93 0.00 0.00 -0.06 0.00 0.00 31.44 30.45 1rk7 n GLU 77 CO 0.00 0.00 0.00 -1.91 -0.06 0.00 0.00 177.13 175.16 1rk7 n GLU 78 N -0.45 0.00 -3.21 5.31 0.00 -1.26 -4.20 120.64 116.83 1rk7 n GLU 78 Ca 0.01 0.00 -0.06 0.00 0.00 0.00 0.00 57.16 57.10 1rk7 n GLU 78 Cb 0.32 0.00 0.01 0.00 0.00 0.00 0.00 31.44 31.77 1rk7 n GLU 78 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.13 175.00 1rk7 n ARG 79 N 0.00 -0.51 -1.12 5.31 3.00 -1.11 -4.81 116.66 117.42 1rk7 n ARG 79 Ca 0.00 0.85 -0.00 0.00 -0.00 0.00 0.00 57.85 58.70 1rk7 n ARG 79 Cb 0.00 -1.12 -0.01 0.00 0.00 0.00 0.00 32.46 31.33 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 1.04 0.00 0.00 -0.14 -0.00 -1.19 -4.39 115.22 110.54 1rk7 n HIS 80 Ca -0.01 -0.39 0.00 0.00 0.46 0.00 0.00 57.72 57.77 1rk7 n HIS 80 Cb 0.52 0.11 0.00 0.00 -0.12 0.00 0.00 29.99 30.51 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 0.23 0.00 -0.13 3.57 0.31 -1.26 -4.79 118.33 116.25 1rk7 n VAL 81 Ca -0.06 0.00 -0.09 0.00 -0.01 0.00 0.00 64.34 64.18 1rk7 n VAL 81 Cb 0.89 0.00 -0.01 0.00 -0.91 0.00 0.00 33.84 33.81 1rk7 n VAL 81 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 1rk7 h GLY 82 N 0.00 0.61 0.00 2.92 0.00 -1.88 -3.30 103.07 101.42 1rk7 h GLY 82 Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 47.33 47.02 1rk7 h GLY 82 CO 0.00 0.29 0.00 1.22 0.00 0.00 0.00 176.54 178.05 1rk7 n ASP 83 N -4.69 0.00 0.11 0.19 9.92 -1.26 -4.63 116.55 116.19 1rk7 n ASP 83 Ca -0.00 -0.76 0.00 0.00 -0.53 0.00 0.00 54.79 53.50 1rk7 n ASP 83 Cb 0.11 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.59 1rk7 n ASP 83 CO 0.00 0.00 0.00 -0.11 0.13 0.00 0.00 177.20 177.22 1rk7 n LEU 84 N 0.00 -2.00 0.00 0.64 0.00 -1.26 -3.17 117.00 111.21 1rk7 n LEU 84 Ca 0.00 0.70 0.00 0.00 0.00 0.00 0.00 56.01 56.71 1rk7 n LEU 84 Cb 0.00 2.12 0.00 0.00 0.00 0.00 0.00 43.42 45.54 1rk7 n LEU 84 CO 0.00 0.15 0.00 0.61 0.00 0.00 0.00 177.39 178.15 1rk7 n GLY 85 N -1.22 6.71 2.80 -3.96 0.00 -1.26 -4.35 105.19 103.90 1rk7 n GLY 85 Ca 0.00 -2.02 -0.14 0.00 0.00 0.00 0.00 46.02 43.86 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 0.48 0.05 -0.11 1.61 -0.87 -1.26 -3.54 114.94 111.30 1rk7 s ASN 86 Ca 0.00 0.03 -0.02 0.00 -1.57 0.00 0.00 52.86 51.30 1rk7 s ASN 86 Cb 0.00 -0.05 -0.03 0.00 -0.02 0.00 0.00 41.25 41.15 1rk7 s ASN 86 CO 0.00 -0.10 -0.02 0.68 -2.57 0.00 0.00 177.10 175.09 1rk7 s VAL 87 N 0.81 4.07 -0.00 1.60 -7.23 0.28 -4.85 120.40 115.08 1rk7 s VAL 87 Ca -0.07 -0.32 0.01 0.00 -1.81 0.00 0.00 61.98 59.80 1rk7 s VAL 87 Cb -0.10 -2.74 -0.04 0.00 0.56 0.00 0.00 36.38 34.07 1rk7 s VAL 87 CO -0.02 0.55 0.00 -0.89 -0.31 0.00 0.00 175.10 174.43 1rk7 s THR 88 N -0.32 4.17 0.68 5.32 2.01 -1.26 0.59 115.64 126.82 1rk7 s THR 88 Ca 0.06 -0.59 -0.07 0.00 0.31 0.00 0.00 61.69 61.40 1rk7 s THR 88 Cb -0.12 -2.86 0.04 0.00 0.01 0.00 0.00 72.50 69.58 1rk7 s THR 88 CO 0.02 0.38 1.00 0.00 -0.69 0.00 0.00 174.62 175.33 1rk7 s ALA 89 N -1.08 3.15 0.00 7.40 0.00 -0.83 -3.94 121.76 126.45 1rk7 s ALA 89 Ca 0.19 -0.81 0.00 0.00 0.00 0.00 0.00 51.96 51.35 1rk7 s ALA 89 Cb -0.12 -2.65 0.00 0.00 0.00 0.00 0.00 23.12 20.36 1rk7 s ALA 89 CO 0.10 -1.17 0.00 -3.47 0.00 0.00 0.00 175.76 171.22 1rk7 n ASP 90 N -2.86 0.00 -0.11 0.00 2.03 0.02 -4.50 116.55 111.13 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 41.00 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 0.24 -0.79 -0.67 2.85 -1.26 -4.75 118.16 113.78 1rk7 n LYS 91 Ca 0.00 -0.73 -0.01 0.00 -1.05 0.00 0.00 58.31 56.52 1rk7 n LYS 91 Cb 0.00 -0.56 -0.02 0.00 -0.65 0.00 0.00 35.03 33.80 1rk7 n LYS 91 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 1rk7 n ASP 92 N -0.07 -0.15 0.00 -5.58 -0.08 -1.26 -4.83 116.55 104.58 1rk7 n ASP 92 Ca 0.00 -1.62 0.00 0.00 -1.51 0.00 0.00 54.79 51.67 1rk7 n ASP 92 Cb 0.53 0.01 0.00 0.00 2.34 0.00 0.00 41.12 44.00 1rk7 n ASP 92 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1rk7 n GLY 93 N 0.07 2.82 3.54 0.27 0.00 -1.26 -3.74 105.19 106.89 1rk7 n GLY 93 Ca -0.07 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.00 -0.00 -3.36 1.61 0.31 -1.12 -4.27 118.33 109.49 1rk7 n VAL 94 Ca 0.00 -0.50 -0.39 0.00 -0.01 0.00 0.00 64.34 63.43 1rk7 n VAL 94 Cb 0.00 -1.42 -0.09 0.00 -0.91 0.00 0.00 33.84 31.43 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 10.26 3.56 0.12 3.52 0.00 0.28 -0.80 121.76 138.70 1rk7 s ALA 95 Ca 1.06 -0.81 0.08 0.00 0.00 0.00 0.00 51.96 52.28 1rk7 s ALA 95 Cb -0.37 -2.75 -0.04 0.00 0.00 0.00 0.00 23.12 19.96 1rk7 s ALA 95 CO 0.24 -0.71 -0.10 0.16 0.00 0.00 0.00 175.76 175.36 1rk7 s ASP 96 N 1.64 4.37 0.42 0.00 1.47 -1.25 0.13 116.67 123.44 1rk7 s ASP 96 Ca 0.16 -0.43 0.06 0.00 1.18 0.00 0.00 52.55 53.52 1rk7 s ASP 96 Cb -0.16 -0.81 -0.07 0.00 -0.34 0.00 0.00 42.92 41.54 1rk7 s ASP 96 CO 0.10 0.16 0.04 -0.69 0.68 0.00 0.00 175.17 175.46 1rk7 s VAL 97 N -1.34 1.96 -0.33 2.11 1.01 -0.97 -4.74 120.40 118.10 1rk7 s VAL 97 Ca 0.22 -1.95 -0.09 0.00 0.00 0.00 0.00 61.98 60.17 1rk7 s VAL 97 Cb -0.10 -2.91 0.21 0.00 0.00 0.00 0.00 36.38 33.58 1rk7 s VAL 97 CO 0.14 0.00 1.11 -0.94 0.00 0.00 0.00 175.10 175.41 1rk7 s SER 98 N -3.76 -0.22 0.21 3.32 1.04 -1.08 -3.16 113.70 110.04 1rk7 s SER 98 Ca 0.33 -0.22 0.01 0.00 0.48 0.00 0.00 55.95 56.55 1rk7 s SER 98 Cb 0.08 0.29 -0.05 0.00 0.10 0.00 0.00 66.02 66.45 1rk7 s SER 98 CO 0.17 -0.01 0.07 -0.63 0.98 0.00 0.00 173.24 173.81 1rk7 s ILE 99 N 1.31 0.47 -0.40 -1.02 1.01 0.14 -4.97 121.20 117.74 1rk7 s ILE 99 Ca 0.20 -1.98 0.03 0.00 0.00 0.00 0.00 60.65 58.90 1rk7 s ILE 99 Cb 0.10 -2.39 0.11 0.00 0.01 0.00 0.00 42.46 40.30 1rk7 s ILE 99 CO -0.12 -0.20 0.14 -1.61 0.00 0.00 0.00 174.94 173.14 1rk7 s GLU 100 N -4.01 1.45 0.02 2.79 8.01 -1.26 0.51 118.70 126.20 1rk7 s GLU 100 Ca 0.32 -1.96 -0.24 0.00 0.01 0.00 0.00 54.97 53.11 1rk7 s GLU 100 Cb 0.07 -2.89 -0.05 0.00 -4.31 0.00 0.00 34.13 26.95 1rk7 s GLU 100 CO 0.09 -1.03 0.72 -0.51 0.01 0.00 0.00 175.26 174.55 1rk7 s ASP 101 N 0.62 7.14 -0.03 -0.19 1.11 -0.83 -4.71 116.67 119.78 1rk7 s ASP 101 Ca 0.13 1.36 0.11 0.00 0.18 0.00 0.00 52.55 54.33 1rk7 s ASP 101 Cb -0.21 -2.44 -0.16 0.00 1.07 0.00 0.00 42.92 41.17 1rk7 s ASP 101 CO -0.08 0.01 0.20 -1.54 1.18 0.00 0.00 175.17 174.95 1rk7 n SER 102 N 2.92 2.50 0.00 0.27 3.41 -1.26 0.13 113.62 121.59 1rk7 n SER 102 Ca -0.03 0.00 0.09 0.00 -0.26 0.00 0.00 58.87 58.67 1rk7 n SER 102 Cb 0.50 1.37 0.44 0.00 -0.26 0.00 0.00 64.21 66.27 1rk7 n SER 102 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1rk7 n VAL 103 N -1.97 0.56 -4.47 -3.33 0.31 -1.26 -4.72 118.33 103.44 1rk7 n VAL 103 Ca -0.05 0.14 -0.26 0.00 -0.01 0.00 0.00 64.34 64.16 1rk7 n VAL 103 Cb 0.38 -0.82 -0.10 0.00 -0.91 0.00 0.00 33.84 32.39 1rk7 n VAL 103 CO 0.00 0.00 0.00 0.27 -1.32 0.00 0.00 176.83 175.78 1rk7 s ILE 104 N -2.77 2.29 0.19 2.52 -5.25 -1.26 -4.85 121.20 112.06 1rk7 s ILE 104 Ca 0.14 -2.06 -0.23 0.00 -0.99 0.00 0.00 60.65 57.51 1rk7 s ILE 104 Cb 0.13 -2.79 0.06 0.00 2.95 0.00 0.00 42.46 42.80 1rk7 s ILE 104 CO 0.32 -0.14 0.65 -0.55 -1.79 0.00 0.00 174.94 173.43 1rk7 s SER 105 N -3.68 -0.47 0.08 4.36 0.15 0.20 -4.61 113.70 109.73 1rk7 s SER 105 Ca 0.34 -0.17 -0.15 0.00 0.70 0.00 0.00 55.95 56.67 1rk7 s SER 105 Cb 0.04 0.62 -0.13 0.00 -1.71 0.00 0.00 66.02 64.84 1rk7 s SER 105 CO 0.18 -1.06 1.33 -0.07 1.20 0.00 0.00 173.24 174.83 1rk7 h LEU 106 N 2.00 0.77 -7.98 3.45 -0.00 -1.93 0.95 115.31 112.57 1rk7 h LEU 106 Ca -0.29 -0.56 -0.10 0.00 -0.00 0.00 0.00 57.88 56.92 1rk7 h LEU 106 Cb 1.29 -0.22 -0.15 0.00 -0.00 0.00 0.00 40.66 41.58 1rk7 h LEU 106 CO 0.34 1.19 -0.50 -0.55 -0.00 0.00 0.00 178.44 178.92 1rk7 s SER 107 N -6.73 0.27 0.00 -0.43 0.15 -1.26 -3.95 113.70 101.74 1rk7 s SER 107 Ca -0.12 -0.78 0.00 0.00 0.70 0.00 0.00 55.95 55.75 1rk7 s SER 107 Cb 0.08 0.28 0.00 0.00 -1.71 0.00 0.00 66.02 64.66 1rk7 s SER 107 CO 0.85 -0.66 0.00 0.61 1.20 0.00 0.00 173.24 175.24 1rk7 n GLY 108 N 0.07 1.19 0.41 9.45 0.00 -1.26 -4.78 105.19 110.27 1rk7 n GLY 108 Ca -0.15 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.32 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 0.00 2.19 -3.76 1.61 8.00 -1.26 -4.84 116.55 118.49 1rk7 n ASP 109 Ca 0.00 0.00 -0.39 0.00 0.71 0.00 0.00 54.79 55.11 1rk7 n ASP 109 Cb 0.00 0.00 -0.00 0.00 -0.02 0.00 0.00 41.12 41.10 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 -2.56 2.67 -2.07 1.24 8.25 -1.26 -5.03 115.22 116.47 1rk7 n HIS 110 Ca 0.00 -2.88 -0.41 0.00 -0.26 0.00 0.00 57.72 54.17 1rk7 n HIS 110 Cb 0.43 -1.09 -0.02 0.00 1.12 0.00 0.00 29.99 30.42 1rk7 n HIS 110 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1rk7 s SER 111 N -1.90 6.71 0.24 0.41 1.04 -1.24 -0.63 113.70 118.33 1rk7 s SER 111 Ca 0.35 2.66 0.24 0.00 0.48 0.00 0.00 55.95 59.68 1rk7 s SER 111 Cb 0.11 -2.63 0.35 0.00 0.10 0.00 0.00 66.02 63.95 1rk7 s SER 111 CO 0.02 -0.63 1.41 0.16 0.98 0.00 0.00 173.24 175.18 1rk7 h ILE 112 N 3.35 0.00 -2.49 -1.02 -0.00 0.83 -3.45 117.51 114.74 1rk7 h ILE 112 Ca -0.47 -0.74 -0.56 0.00 -0.00 0.00 0.00 64.86 63.09 1rk7 h ILE 112 Cb 1.22 1.48 -0.03 0.00 -0.00 0.00 0.00 36.82 39.50 1rk7 h ILE 112 CO 0.73 0.00 1.31 -0.63 -0.00 0.00 0.00 178.15 179.56 1rk7 s ILE 113 N -3.21 3.42 0.00 0.16 -1.09 -1.26 -1.58 121.20 117.63 1rk7 s ILE 113 Ca 0.06 0.40 0.00 0.00 -2.23 0.00 0.00 60.65 58.88 1rk7 s ILE 113 Cb 0.10 -3.63 0.00 0.00 -1.58 0.00 0.00 42.46 37.35 1rk7 s ILE 113 CO 0.70 -0.45 0.00 0.61 -1.23 0.00 0.00 174.94 174.57 1rk7 n GLY 114 N 5.50 0.69 2.68 6.18 0.00 -1.25 -5.04 105.19 113.96 1rk7 n GLY 114 Ca 0.23 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.84 1rk7 n GLY 114 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rk7 n ARG 115 N 0.00 3.50 -1.35 1.61 5.12 -0.61 -4.70 116.66 120.22 1rk7 n ARG 115 Ca 0.00 -3.01 -0.47 0.00 -1.93 0.00 0.00 57.85 52.44 1rk7 n ARG 115 Cb 0.00 -2.99 -0.13 0.00 -1.16 0.00 0.00 32.46 28.17 1rk7 n ARG 115 CO 0.00 0.00 0.00 -2.37 -1.93 0.00 0.00 177.63 173.33 1rk7 n THR 116 N 3.76 0.00 -2.58 0.55 5.66 -1.26 -4.38 114.28 116.02 1rk7 n THR 116 Ca 0.53 0.00 -0.43 0.00 -3.05 0.00 0.00 64.05 61.10 1rk7 n THR 116 Cb 0.34 -0.48 -0.02 0.00 -1.55 0.00 0.00 70.33 68.61 1rk7 n THR 116 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 175.07 171.80 1rk7 s LEU 117 N 7.54 3.94 -0.04 1.09 0.20 -1.08 -4.60 118.68 125.74 1rk7 s LEU 117 Ca 1.25 1.14 0.00 0.00 0.69 0.00 0.00 54.13 57.21 1rk7 s LEU 117 Cb -1.31 -3.54 0.02 0.00 -0.43 0.00 0.00 46.19 40.93 1rk7 s LEU 117 CO 0.54 -0.91 -0.02 0.54 -0.29 0.00 0.00 176.35 176.21 1rk7 s VAL 118 N 3.78 0.39 0.49 1.68 0.11 -1.26 0.13 120.40 125.71 1rk7 s VAL 118 Ca 0.48 -0.02 -0.20 0.00 -2.93 0.00 0.00 61.98 59.32 1rk7 s VAL 118 Cb -0.14 -0.46 -0.08 0.00 -1.53 0.00 0.00 36.38 34.17 1rk7 s VAL 118 CO 0.17 0.20 1.03 0.68 -3.33 0.00 0.00 175.10 173.85 1rk7 s VAL 119 N 1.10 3.86 -0.09 2.04 -7.23 -1.26 -3.73 120.40 115.09 1rk7 s VAL 119 Ca -0.08 1.14 -0.25 0.00 -1.81 0.00 0.00 61.98 60.97 1rk7 s VAL 119 Cb -0.14 -3.47 -0.03 0.00 0.56 0.00 0.00 36.38 33.31 1rk7 s VAL 119 CO -0.01 -0.27 0.80 -1.00 -0.31 0.00 0.00 175.10 174.30 1rk7 s HIS 120 N -2.04 3.54 0.23 2.82 3.76 -1.26 -4.29 115.29 118.04 1rk7 s HIS 120 Ca 0.66 1.33 -0.13 0.00 -0.15 0.00 0.00 55.06 56.77 1rk7 s HIS 120 Cb -0.15 -2.94 0.29 0.00 1.11 0.00 0.00 32.58 30.88 1rk7 s HIS 120 CO 0.20 -0.05 1.43 -1.91 -0.85 0.00 0.00 174.74 173.57 1rk7 n GLU 121 N 4.33 -0.17 -4.12 1.40 0.00 -1.25 -4.29 120.64 116.54 1rk7 n GLU 121 Ca 0.02 1.43 -0.08 0.00 0.00 0.00 0.00 57.16 58.53 1rk7 n GLU 121 Cb 0.50 -2.12 -0.10 0.00 0.00 0.00 0.00 31.44 29.72 1rk7 n GLU 121 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.13 177.34 1rk7 s LYS 122 N -5.96 0.73 0.34 5.31 2.36 -1.24 -4.94 119.74 116.34 1rk7 s LYS 122 Ca -0.13 -1.30 -0.25 0.00 -2.55 0.00 0.00 55.97 51.74 1rk7 s LYS 122 Cb 0.21 0.19 -0.13 0.00 -1.05 0.00 0.00 37.83 37.05 1rk7 s LYS 122 CO 0.68 -0.15 0.75 0.00 1.55 0.00 0.00 175.35 178.18 1rk7 n ALA 123 N 0.03 -1.07 -3.21 3.13 0.00 -0.82 -3.69 120.51 114.89 1rk7 n ALA 123 Ca -0.11 0.29 -0.10 0.00 0.00 0.00 0.00 53.44 53.52 1rk7 n ALA 123 Cb 0.62 -1.87 -0.04 0.00 0.00 0.00 0.00 19.45 18.16 1rk7 n ALA 123 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 1rk7 s ASP 124 N -0.80 -0.18 0.00 0.00 1.47 -1.26 -4.60 116.67 111.30 1rk7 s ASP 124 Ca 0.62 -1.50 0.00 0.00 1.18 0.00 0.00 52.55 52.85 1rk7 s ASP 124 Cb -0.68 1.17 0.00 0.00 -0.34 0.00 0.00 42.92 43.08 1rk7 s ASP 124 CO 0.58 -0.18 0.00 -0.67 0.68 0.00 0.00 175.17 175.58 1rk7 n ASP 125 N 3.92 0.00 -0.37 2.11 2.03 -1.26 -4.67 116.55 118.31 1rk7 n ASP 125 Ca 0.14 0.00 -0.01 0.00 0.52 0.00 0.00 54.79 55.44 1rk7 n ASP 125 Cb 0.51 0.00 0.03 0.00 -0.72 0.00 0.00 41.12 40.94 1rk7 n ASP 125 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1rk7 n LEU 126 N 0.00 -0.64 0.00 -2.67 7.99 -1.26 -4.83 117.00 115.59 1rk7 n LEU 126 Ca 0.00 1.67 0.00 0.00 -0.01 0.00 0.00 56.01 57.67 1rk7 n LEU 126 Cb 0.00 -0.38 0.00 0.00 -0.11 0.00 0.00 43.42 42.93 1rk7 n LEU 126 CO 0.00 -1.49 0.00 0.61 -1.51 0.00 0.00 177.39 175.00 1rk7 n GLY 127 N -1.44 0.66 0.34 -0.72 0.00 -1.26 -4.97 105.19 97.80 1rk7 n GLY 127 Ca 0.09 -0.79 0.17 0.00 0.00 0.00 0.00 46.02 45.49 1rk7 n GLY 127 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1rk7 h LYS 128 N 0.00 0.00 0.00 1.61 2.10 -1.94 -3.41 116.57 114.93 1rk7 h LYS 128 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1rk7 h LYS 128 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 1rk7 h LYS 128 CO 0.00 0.00 0.00 0.41 -2.00 0.00 0.00 179.45 177.86 1rk7 n GLY 129 N -1.22 0.38 2.69 0.07 0.00 -1.26 -5.05 105.19 100.80 1rk7 n GLY 129 Ca -0.02 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.97 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 -4.49 3.02 -0.02 0.00 -1.26 -4.85 105.19 97.59 1rk7 n GLY 130 Ca 0.00 1.26 -0.03 0.00 0.00 0.00 0.00 46.02 47.25 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 -0.92 -0.50 -0.23 1.61 0.01 -1.26 -4.32 114.94 109.33 1rk7 s ASN 131 Ca -0.18 0.18 -0.03 0.00 -0.71 0.00 0.00 52.86 52.12 1rk7 s ASN 131 Cb 0.01 1.56 0.03 0.00 0.41 0.00 0.00 41.25 43.26 1rk7 s ASN 131 CO 0.72 -0.31 0.07 -0.62 -1.51 0.00 0.00 177.10 175.45 1rk7 n GLU 132 N 5.39 -2.44 0.21 -0.60 4.71 -1.26 -3.99 120.64 122.66 1rk7 n GLU 132 Ca 0.00 0.02 0.00 0.00 -0.01 0.00 0.00 57.16 57.17 1rk7 n GLU 132 Cb 0.51 -3.91 0.00 0.00 -1.01 0.00 0.00 31.44 27.03 1rk7 n GLU 132 CO 0.00 0.00 0.00 0.94 0.09 0.00 0.00 177.13 178.16 1rk7 n GLN 133 N -2.36 0.00 0.08 3.49 -0.06 -1.26 -4.93 117.38 112.33 1rk7 n GLN 133 Ca 0.01 0.00 0.09 0.00 -2.00 0.00 0.00 57.00 55.10 1rk7 n GLN 133 Cb 0.43 0.00 -0.04 0.00 -4.06 0.00 0.00 30.24 26.57 1rk7 n GLN 133 CO 0.00 0.00 0.00 0.43 -0.20 0.00 0.00 177.06 177.29 1rk7 n SER 134 N -3.35 0.75 0.27 1.69 7.64 -1.26 -2.11 113.62 117.25 1rk7 n SER 134 Ca 0.00 0.30 0.14 0.00 1.01 0.00 0.00 58.87 60.31 1rk7 n SER 134 Cb 0.00 0.57 0.75 0.00 -1.01 0.00 0.00 64.21 64.52 1rk7 n SER 134 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1rk7 h THR 135 N 0.00 0.47 0.00 0.44 1.03 -1.83 -2.99 112.91 110.03 1rk7 h THR 135 Ca -0.04 -0.52 -0.24 0.00 -0.01 0.00 0.00 66.41 65.61 1rk7 h THR 135 Cb 1.13 1.35 -0.04 0.00 -1.07 0.00 0.00 68.15 69.52 1rk7 h THR 135 CO 0.01 0.10 -1.89 0.29 -0.01 0.00 0.00 175.52 174.03 1rk7 n LYS 136 N -3.54 1.49 0.00 0.00 5.02 -1.25 0.12 118.16 120.00 1rk7 n LYS 136 Ca -0.02 0.02 0.00 0.00 -2.02 0.00 0.00 58.31 56.30 1rk7 n LYS 136 Cb 0.24 -1.33 0.00 0.00 -0.02 0.00 0.00 35.03 33.92 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 -2.62 0.00 -2.59 -0.18 -2.24 -0.90 -4.64 114.28 101.12 1rk7 n THR 137 Ca -0.23 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.53 1rk7 n THR 137 Cb 0.88 0.00 0.02 0.00 -2.10 0.00 0.00 70.33 69.13 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 0.66 -0.29 2.51 3.38 0.00 -1.01 -4.28 105.19 106.16 1rk7 n GLY 138 Ca 0.00 -0.04 -0.04 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.46 -1.76 -2.68 1.61 5.15 -1.03 -4.52 115.26 111.57 1rk7 n ASN 139 Ca -0.12 0.40 -0.03 0.00 -0.60 0.00 0.00 54.58 54.22 1rk7 n ASN 139 Cb 0.63 -1.61 0.13 0.00 -0.53 0.00 0.00 39.78 38.40 1rk7 n ASN 139 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1rk7 n ALA 140 N -2.45 2.53 -3.35 5.20 0.00 -1.26 -4.97 120.51 116.20 1rk7 n ALA 140 Ca -0.04 -1.11 -0.40 0.00 0.00 0.00 0.00 53.44 51.90 1rk7 n ALA 140 Cb 0.53 -0.86 -0.10 0.00 0.00 0.00 0.00 19.45 19.02 1rk7 n ALA 140 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1rk7 s GLY 141 N -1.20 1.97 -0.35 0.00 0.00 -1.26 -3.69 107.32 102.79 1rk7 s GLY 141 Ca 0.12 -2.20 0.04 0.00 0.00 0.00 0.00 44.72 42.69 1rk7 s GLY 141 CO -0.12 0.98 0.68 -0.45 0.00 0.00 0.00 173.10 174.19 1rk7 s SER 142 N 2.13 -1.40 -0.01 1.64 0.15 -1.26 -5.05 113.70 109.90 1rk7 s SER 142 Ca 0.03 -0.29 -0.39 0.00 0.70 0.00 0.00 55.95 56.00 1rk7 s SER 142 Cb -0.23 1.82 -0.18 0.00 -1.71 0.00 0.00 66.02 65.72 1rk7 s SER 142 CO 0.01 -0.20 1.26 0.54 1.20 0.00 0.00 173.24 176.05 1rk7 n ARG 143 N 4.80 0.59 0.01 5.44 3.00 -1.26 -4.43 116.66 124.81 1rk7 n ARG 143 Ca 0.08 0.21 0.00 0.00 -0.01 0.00 0.00 57.85 58.13 1rk7 n ARG 143 Cb 0.56 -1.79 0.00 0.00 0.00 0.00 0.00 32.46 31.23 1rk7 n ARG 143 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 1rk7 n LEU 144 N 2.34 0.24 -4.84 0.55 4.32 -1.26 -5.05 117.00 113.30 1rk7 n LEU 144 Ca 0.20 0.03 -0.30 0.00 -0.02 0.00 0.00 56.01 55.93 1rk7 n LEU 144 Cb 0.12 -0.07 0.17 0.00 -1.62 0.00 0.00 43.42 42.03 1rk7 n LEU 144 CO 0.64 -0.56 0.80 0.00 -1.22 0.00 0.00 177.39 177.05 1rk7 s ALA 145 N -2.00 1.93 -0.49 -1.18 0.00 -1.26 -3.68 121.76 115.09 1rk7 s ALA 145 Ca 0.00 -0.98 0.06 0.00 0.00 0.00 0.00 51.96 51.05 1rk7 s ALA 145 Cb 0.00 -2.86 0.23 0.00 0.00 0.00 0.00 23.12 20.49 1rk7 s ALA 145 CO 0.00 -2.51 0.80 0.00 0.00 0.00 0.00 175.76 174.05 1rk7 n GLY 147 N 1.99 4.79 3.65 0.00 0.00 0.34 -3.88 105.19 112.08 1rk7 n GLY 147 Ca 0.13 -2.10 -0.45 0.00 0.00 0.00 0.00 46.02 43.60 1rk7 n GLY 147 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1rk7 n VAL 148 N 3.26 0.63 -2.28 1.61 0.31 -1.26 -2.63 118.33 117.97 1rk7 n VAL 148 Ca 0.40 -0.17 -0.41 0.00 -0.01 0.00 0.00 64.34 64.15 1rk7 n VAL 148 Cb 0.36 -2.17 -0.03 0.00 -0.91 0.00 0.00 33.84 31.09 1rk7 n VAL 148 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 1rk7 s ILE 149 N 4.95 3.40 -0.13 2.52 1.09 -1.26 -4.34 121.20 127.42 1rk7 s ILE 149 Ca 0.93 1.13 -0.07 0.00 -1.10 0.00 0.00 60.65 61.53 1rk7 s ILE 149 Cb -0.53 -3.72 0.05 0.00 -1.06 0.00 0.00 42.46 37.20 1rk7 s ILE 149 CO 0.45 0.16 0.32 -0.83 -0.10 0.00 0.00 174.94 174.94 1rk7 s GLY 150 N 0.43 -0.23 0.80 6.18 0.00 -0.99 -3.90 107.32 109.61 1rk7 s GLY 150 Ca 0.57 1.24 -0.17 0.00 0.00 0.00 0.00 44.72 46.35 1rk7 s GLY 150 CO 0.36 1.43 -0.27 1.39 0.00 0.00 0.00 173.10 176.01 1rk7 n ILE 151 N 4.19 0.30 -4.16 0.90 2.08 -1.26 0.21 119.36 121.62 1rk7 n ILE 151 Ca -0.24 -0.46 -0.27 0.00 0.56 0.00 0.00 62.75 62.34 1rk7 n ILE 151 Cb 0.54 -0.18 -0.04 0.00 -0.75 0.00 0.00 39.64 39.21 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 -2.02 4.11 0.00 -1.39 0.00 0.35 -4.50 121.76 118.31 1rk7 s ALA 152 Ca 0.51 -1.29 0.00 0.00 0.00 0.00 0.00 51.96 51.18 1rk7 s ALA 152 Cb -0.31 -0.46 0.00 0.00 0.00 0.00 0.00 23.12 22.36 1rk7 s ALA 152 CO 0.72 -0.26 0.18 0.94 0.00 0.00 0.00 175.76 177.34