#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 4.92 0.04 0.00 2.01 -1.15 -4.96 115.64 116.50 1rk7 s THR 2 Ca 0.00 -1.81 -0.17 0.00 0.31 0.00 0.00 61.69 60.02 1rk7 s THR 2 Cb 0.00 -4.16 -0.06 0.00 0.01 0.00 0.00 72.50 68.29 1rk7 s THR 2 CO 0.00 -0.87 0.49 -0.75 -0.69 0.00 0.00 174.62 172.80 1rk7 s LYS 3 N 1.22 4.07 0.29 4.92 2.20 -1.26 -3.71 119.74 127.46 1rk7 s LYS 3 Ca 0.07 0.59 0.09 0.00 -0.36 0.00 0.00 55.97 56.36 1rk7 s LYS 3 Cb -0.25 -3.23 -0.06 0.00 -1.51 0.00 0.00 37.83 32.78 1rk7 s LYS 3 CO -0.00 0.66 -0.12 0.00 -0.36 0.00 0.00 175.35 175.53 1rk7 s ALA 4 N -1.09 2.58 0.08 3.13 0.00 0.12 -0.30 121.76 126.28 1rk7 s ALA 4 Ca 0.27 -1.91 0.05 0.00 0.00 0.00 0.00 51.96 50.36 1rk7 s ALA 4 Cb -0.18 -0.04 -0.03 0.00 0.00 0.00 0.00 23.12 22.86 1rk7 s ALA 4 CO 0.16 0.09 -0.13 0.08 0.00 0.00 0.00 175.76 175.97 1rk7 s VAL 5 N -2.75 1.05 -0.41 0.00 1.01 0.38 0.99 120.40 120.68 1rk7 s VAL 5 Ca 0.29 -1.41 0.06 0.00 0.00 0.00 0.00 61.98 60.93 1rk7 s VAL 5 Cb 0.00 -1.14 0.17 0.00 0.00 0.00 0.00 36.38 35.41 1rk7 s VAL 5 CO 0.13 -0.33 0.56 0.00 0.00 0.00 0.00 175.10 175.46 1rk7 s ALA 6 N -1.63 -1.67 -0.41 5.51 0.00 0.45 0.48 121.76 124.50 1rk7 s ALA 6 Ca 0.00 -0.28 -0.22 0.00 0.00 0.00 0.00 51.96 51.46 1rk7 s ALA 6 Cb -0.08 -2.50 0.02 0.00 0.00 0.00 0.00 23.12 20.55 1rk7 s ALA 6 CO 0.02 -2.20 0.75 0.14 0.00 0.00 0.00 175.76 174.47 1rk7 s VAL 7 N 1.57 4.73 -0.05 0.00 -7.23 -1.26 -1.52 120.40 116.64 1rk7 s VAL 7 Ca 0.18 0.57 -0.29 0.00 -1.81 0.00 0.00 61.98 60.62 1rk7 s VAL 7 Cb -0.07 -4.24 -0.07 0.00 0.56 0.00 0.00 36.38 32.57 1rk7 s VAL 7 CO -0.06 -0.55 1.90 -0.76 -0.31 0.00 0.00 175.10 175.32 1rk7 s LEU 8 N 3.10 4.19 -0.22 1.32 1.43 0.27 -4.02 118.68 124.75 1rk7 s LEU 8 Ca 0.29 2.33 -0.04 0.00 -1.03 0.00 0.00 54.13 55.68 1rk7 s LEU 8 Cb -0.13 -3.53 0.12 0.00 0.03 0.00 0.00 46.19 42.68 1rk7 s LEU 8 CO 0.19 -1.19 0.36 -0.75 0.23 0.00 0.00 176.35 175.18 1rk7 s LYS 9 N 4.70 0.31 0.00 1.70 2.20 -1.24 -2.85 119.74 124.56 1rk7 s LYS 9 Ca 0.85 0.58 0.00 0.00 -0.36 0.00 0.00 55.97 57.04 1rk7 s LYS 9 Cb -0.37 -0.42 0.00 0.00 -1.51 0.00 0.00 37.83 35.53 1rk7 s LYS 9 CO 0.36 -0.56 0.00 0.41 -0.36 0.00 0.00 175.35 175.20 1rk7 n GLY 10 N 5.36 -0.41 0.28 5.54 0.00 -1.26 -3.98 105.19 110.71 1rk7 n GLY 10 Ca -0.05 0.56 0.12 0.00 0.00 0.00 0.00 46.02 46.65 1rk7 n GLY 10 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1rk7 n ASP 11 N 0.00 -0.10 0.00 1.61 2.03 0.14 -4.82 116.55 115.41 1rk7 n ASP 11 Ca 0.00 1.35 0.00 0.00 0.52 0.00 0.00 54.79 56.66 1rk7 n ASP 11 Cb 0.00 -0.49 0.00 0.00 -0.72 0.00 0.00 41.12 39.91 1rk7 n ASP 11 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1rk7 n GLY 12 N -1.40 2.75 1.93 0.27 0.00 -1.26 -4.95 105.19 102.52 1rk7 n GLY 12 Ca 0.18 -0.55 -0.05 0.00 0.00 0.00 0.00 46.02 45.60 1rk7 n GLY 12 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1rk7 n PRO 13 N 0.00 1.20 -2.84 1.61 -0.04 -1.26 -3.77 135.00 129.91 1rk7 n PRO 13 Ca 0.00 -0.45 -0.11 0.00 -0.04 0.00 0.00 63.50 62.90 1rk7 n PRO 13 Cb 0.00 -1.58 0.06 0.00 -0.04 0.00 0.00 33.50 31.95 1rk7 n PRO 13 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1rk7 n VAL 14 N 2.23 -0.03 -1.64 0.52 0.31 -1.16 -3.41 118.33 115.14 1rk7 n VAL 14 Ca 0.19 -2.25 -0.31 0.00 -0.01 0.00 0.00 64.34 61.97 1rk7 n VAL 14 Cb 0.57 1.07 -0.04 0.00 -0.91 0.00 0.00 33.84 34.52 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 0.32 3.11 -2.36 5.55 7.27 -0.24 -3.63 117.38 127.40 1rk7 n GLN 15 Ca 0.10 -2.68 -0.34 0.00 0.07 0.00 0.00 57.00 54.16 1rk7 n GLN 15 Cb 0.69 -2.30 -0.02 0.00 2.41 0.00 0.00 30.24 31.03 1rk7 n GLN 15 CO 0.00 0.00 0.00 0.20 0.07 0.00 0.00 177.06 177.33 1rk7 s GLY 16 N 0.40 2.38 -0.37 1.69 0.00 -1.13 -4.25 107.32 106.04 1rk7 s GLY 16 Ca 0.58 0.54 0.02 0.00 0.00 0.00 0.00 44.72 45.85 1rk7 s GLY 16 CO -0.18 0.86 0.13 -0.42 0.00 0.00 0.00 173.10 173.49 1rk7 s ILE 17 N -2.14 1.55 0.12 0.90 1.01 0.28 0.97 121.20 123.89 1rk7 s ILE 17 Ca 0.66 -2.10 0.08 0.00 0.00 0.00 0.00 60.65 59.30 1rk7 s ILE 17 Cb -0.16 -2.14 -0.04 0.00 0.01 0.00 0.00 42.46 40.13 1rk7 s ILE 17 CO 0.26 -0.71 -0.15 -0.51 0.00 0.00 0.00 174.94 173.82 1rk7 s ILE 18 N 0.96 3.01 0.20 2.92 -1.16 -0.58 -1.57 121.20 124.98 1rk7 s ILE 18 Ca 0.12 -1.45 -0.02 0.00 -0.51 0.00 0.00 60.65 58.80 1rk7 s ILE 18 Cb -0.20 -2.39 -0.04 0.00 0.61 0.00 0.00 42.46 40.44 1rk7 s ILE 18 CO -0.12 0.09 0.15 0.20 -2.81 0.00 0.00 174.94 172.45 1rk7 s ASN 19 N -2.20 0.15 0.02 4.50 0.01 0.14 0.17 114.94 117.73 1rk7 s ASN 19 Ca 0.19 -1.34 0.08 0.00 -0.71 0.00 0.00 52.86 51.08 1rk7 s ASN 19 Cb -0.11 0.39 -0.02 0.00 0.41 0.00 0.00 41.25 41.92 1rk7 s ASN 19 CO 0.11 -0.85 -0.22 -0.36 -1.51 0.00 0.00 177.10 174.27 1rk7 s PHE 20 N -4.14 1.97 -0.01 2.20 0.40 0.28 -2.24 117.98 116.44 1rk7 s PHE 20 Ca 0.36 -0.38 0.03 0.00 -0.60 0.00 0.00 56.93 56.35 1rk7 s PHE 20 Cb 0.06 -1.21 -0.01 0.00 0.51 0.00 0.00 43.02 42.38 1rk7 s PHE 20 CO 0.11 0.06 -0.11 -2.00 0.70 0.00 0.00 175.22 173.97 1rk7 s GLU 21 N -0.96 0.91 -0.40 0.44 2.12 -0.56 0.12 118.70 120.38 1rk7 s GLU 21 Ca 0.09 -0.39 0.05 0.00 0.36 0.00 0.00 54.97 55.07 1rk7 s GLU 21 Cb -0.09 -0.88 0.17 0.00 0.26 0.00 0.00 34.13 33.59 1rk7 s GLU 21 CO 0.01 0.23 0.47 -1.14 -0.54 0.00 0.00 175.26 174.29 1rk7 s GLN 22 N -0.23 0.75 -0.28 4.30 0.74 -1.24 0.89 119.66 124.58 1rk7 s GLN 22 Ca 0.04 -0.84 -0.02 0.00 0.05 0.00 0.00 55.36 54.59 1rk7 s GLN 22 Cb -0.05 -0.51 0.12 0.00 1.10 0.00 0.00 33.01 33.67 1rk7 s GLN 22 CO -0.00 -1.22 2.27 1.63 -0.55 0.00 0.00 175.29 177.41 1rk7 n LYS 23 N 4.05 1.82 -3.67 1.67 4.76 -1.26 0.17 118.16 125.70 1rk7 n LYS 23 Ca 0.13 -1.46 -0.14 0.00 -2.87 0.00 0.00 58.31 53.97 1rk7 n LYS 23 Cb 0.49 -1.66 -0.08 0.00 -1.84 0.00 0.00 35.03 31.94 1rk7 n LYS 23 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 1rk7 s GLU 24 N -1.36 0.71 0.00 1.97 0.41 -1.26 -4.72 118.70 114.46 1rk7 s GLU 24 Ca 0.34 0.60 0.29 0.00 -0.41 0.00 0.00 54.97 55.79 1rk7 s GLU 24 Cb 0.24 0.34 1.18 0.00 -1.78 0.00 0.00 34.13 34.12 1rk7 s GLU 24 CO -0.04 -0.12 1.82 0.43 -0.49 0.00 0.00 175.26 176.85 1rk7 n SER 25 N 2.36 0.87 -1.70 -0.19 7.64 -1.26 -4.06 113.62 117.29 1rk7 n SER 25 Ca -0.15 -1.03 -0.04 0.00 1.01 0.00 0.00 58.87 58.66 1rk7 n SER 25 Cb 0.56 0.00 0.03 0.00 -1.01 0.00 0.00 64.21 63.79 1rk7 n SER 25 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1rk7 n ASN 26 N -0.50 -1.01 -1.57 6.43 2.85 -1.26 -5.10 115.26 115.09 1rk7 n ASN 26 Ca 0.17 -1.82 0.00 0.00 -0.11 0.00 0.00 54.58 52.82 1rk7 n ASN 26 Cb 0.29 0.41 0.00 0.00 1.24 0.00 0.00 39.78 41.72 1rk7 n ASN 26 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1rk7 n GLY 27 N -0.65 4.87 3.77 8.20 0.00 -1.26 -5.10 105.19 115.03 1rk7 n GLY 27 Ca -0.19 -2.17 -0.30 0.00 0.00 0.00 0.00 46.02 43.37 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 -1.34 -0.04 -0.30 1.61 0.04 -1.26 -4.83 135.00 128.89 1rk7 s PRO 28 Ca 0.00 -0.16 0.02 0.00 0.04 0.00 0.00 61.00 60.90 1rk7 s PRO 28 Cb 0.00 -1.74 0.09 0.00 0.04 0.00 0.00 34.50 32.88 1rk7 s PRO 28 CO 0.00 -2.91 0.02 0.08 0.04 0.00 0.00 177.00 174.24 1rk7 s VAL 29 N -3.43 1.66 -0.73 -0.36 1.01 -0.27 -4.55 120.40 113.73 1rk7 s VAL 29 Ca 0.71 -1.71 -0.26 0.00 0.00 0.00 0.00 61.98 60.73 1rk7 s VAL 29 Cb -0.08 -2.11 -0.03 0.00 0.00 0.00 0.00 36.38 34.15 1rk7 s VAL 29 CO 0.54 -0.44 1.90 -0.54 0.00 0.00 0.00 175.10 176.57 1rk7 s LYS 30 N 1.26 2.59 -0.03 2.72 1.02 0.26 -4.03 119.74 123.52 1rk7 s LYS 30 Ca 0.05 0.26 -0.08 0.00 0.02 0.00 0.00 55.97 56.22 1rk7 s LYS 30 Cb -0.19 -4.66 -0.05 0.00 -0.52 0.00 0.00 37.83 32.42 1rk7 s LYS 30 CO -0.12 -3.00 0.25 0.08 -0.92 0.00 0.00 175.35 171.64 1rk7 s VAL 31 N 9.54 5.32 -0.07 3.17 1.01 -0.83 -1.49 120.40 137.05 1rk7 s VAL 31 Ca 0.69 0.30 -0.31 0.00 0.00 0.00 0.00 61.98 62.66 1rk7 s VAL 31 Cb -0.10 -3.54 0.08 0.00 0.00 0.00 0.00 36.38 32.81 1rk7 s VAL 31 CO 0.12 0.48 0.72 -1.66 0.00 0.00 0.00 175.10 174.76 1rk7 s TRP 32 N -1.18 -0.63 0.00 5.22 -2.14 -0.95 -1.73 118.94 117.53 1rk7 s TRP 32 Ca 0.23 1.11 0.00 0.00 2.66 0.00 0.00 56.10 60.10 1rk7 s TRP 32 Cb -0.13 0.41 0.00 0.00 -3.10 0.00 0.00 33.47 30.64 1rk7 s TRP 32 CO 0.12 -0.57 0.00 0.41 -2.66 0.00 0.00 176.95 174.25 1rk7 n GLY 33 N 0.98 1.75 3.54 3.67 0.00 -1.10 -0.68 105.19 113.35 1rk7 n GLY 33 Ca -0.18 -0.96 -0.04 0.00 0.00 0.00 0.00 46.02 44.84 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 -0.89 0.67 1.61 0.01 -0.61 -1.18 113.70 112.42 1rk7 s SER 34 Ca 0.00 1.40 -0.07 0.00 1.31 0.00 0.00 55.95 58.59 1rk7 s SER 34 Cb 0.00 1.92 0.04 0.00 0.21 0.00 0.00 66.02 68.19 1rk7 s SER 34 CO 0.00 -0.22 0.99 -0.63 0.41 0.00 0.00 173.24 173.79 1rk7 s ILE 35 N 2.64 2.91 -0.26 1.44 1.01 0.35 1.00 121.20 130.29 1rk7 s ILE 35 Ca -0.06 -0.07 -0.05 0.00 0.00 0.00 0.00 60.65 60.48 1rk7 s ILE 35 Cb -0.11 -3.22 0.14 0.00 0.01 0.00 0.00 42.46 39.27 1rk7 s ILE 35 CO -0.17 -0.25 0.51 -0.54 0.00 0.00 0.00 174.94 174.49 1rk7 s LYS 36 N -5.18 0.45 0.00 2.79 1.02 -1.26 -3.48 119.74 114.08 1rk7 s LYS 36 Ca 0.58 0.99 0.00 0.00 0.02 0.00 0.00 55.97 57.55 1rk7 s LYS 36 Cb -0.11 0.30 0.00 0.00 -0.52 0.00 0.00 37.83 37.50 1rk7 s LYS 36 CO 0.46 -0.44 0.00 0.41 -0.92 0.00 0.00 175.35 174.85 1rk7 n GLY 37 N 5.41 3.99 0.00 -3.33 0.00 -1.26 -1.08 105.19 108.92 1rk7 n GLY 37 Ca -0.06 -0.87 0.00 0.00 0.00 0.00 0.00 46.02 45.10 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 -3.94 0.99 4.77 -1.22 -4.90 117.00 112.69 1rk7 n LEU 38 Ca 0.00 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.89 1rk7 n LEU 38 Cb 0.00 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 40.99 1rk7 n LEU 38 CO 0.00 -0.92 -0.25 0.42 -1.33 0.00 0.00 177.39 175.31 1rk7 s THR 39 N -0.37 0.12 -0.11 -5.08 -4.23 -1.26 -3.72 115.64 101.00 1rk7 s THR 39 Ca 0.00 -1.02 -0.36 0.00 -1.18 0.00 0.00 61.69 59.12 1rk7 s THR 39 Cb 0.00 -0.69 -0.14 0.00 1.34 0.00 0.00 72.50 73.01 1rk7 s THR 39 CO 0.00 -0.56 1.74 -1.84 -0.54 0.00 0.00 174.62 173.42 1rk7 n GLU 40 N 1.06 1.71 0.00 3.99 -0.00 -1.26 -4.30 120.64 121.84 1rk7 n GLU 40 Ca -0.21 0.63 0.00 0.00 -0.00 0.00 0.00 57.16 57.58 1rk7 n GLU 40 Cb 0.57 -2.39 0.00 0.00 -0.00 0.00 0.00 31.44 29.63 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 4.02 4.07 3.76 -1.84 0.00 -1.26 -4.90 105.19 109.04 1rk7 n GLY 41 Ca 0.23 -1.25 -0.41 0.00 0.00 0.00 0.00 46.02 44.58 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 4.35 0.28 0.99 1.43 -1.26 -2.66 118.68 121.80 1rk7 s LEU 42 Ca 0.00 2.92 0.09 0.00 -1.03 0.00 0.00 54.13 56.11 1rk7 s LEU 42 Cb 0.00 -3.65 -0.05 0.00 0.03 0.00 0.00 46.19 42.52 1rk7 s LEU 42 CO 0.00 -0.81 -0.12 -1.00 0.23 0.00 0.00 176.35 174.64 1rk7 s HIS 43 N -0.64 2.09 0.00 0.29 3.76 0.87 -3.76 115.29 117.90 1rk7 s HIS 43 Ca 0.56 -0.53 0.00 0.00 -0.15 0.00 0.00 55.06 54.94 1rk7 s HIS 43 Cb -0.45 -1.07 0.00 0.00 1.11 0.00 0.00 32.58 32.16 1rk7 s HIS 43 CO 0.55 0.48 0.00 0.41 -0.85 0.00 0.00 174.74 175.33 1rk7 n GLY 44 N -0.60 -2.97 3.83 -2.22 0.00 -0.07 -3.21 105.19 99.94 1rk7 n GLY 44 Ca -0.06 -0.98 -0.27 0.00 0.00 0.00 0.00 46.02 44.71 1rk7 n GLY 44 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1rk7 s PHE 45 N -0.76 3.24 1.04 1.61 0.08 -1.26 -3.77 117.98 118.16 1rk7 s PHE 45 Ca 0.00 0.03 -0.15 0.00 0.12 0.00 0.00 56.93 56.93 1rk7 s PHE 45 Cb 0.00 -1.57 0.21 0.00 -0.57 0.00 0.00 43.02 41.09 1rk7 s PHE 45 CO 0.00 0.52 1.15 -1.01 -0.10 0.00 0.00 175.22 175.78 1rk7 s HIS 46 N -1.69 1.60 0.16 0.36 3.76 -1.23 -3.60 115.29 114.65 1rk7 s HIS 46 Ca 0.32 0.67 0.00 0.00 -0.15 0.00 0.00 55.06 55.90 1rk7 s HIS 46 Cb -0.11 -3.50 0.00 0.00 1.11 0.00 0.00 32.58 30.08 1rk7 s HIS 46 CO 0.24 -3.04 0.00 0.28 -0.85 0.00 0.00 174.74 171.38 1rk7 n VAL 47 N -4.19-13.42 -3.58 -0.90 0.31 -1.23 -4.90 118.33 90.42 1rk7 n VAL 47 Ca 0.10 3.36 -0.02 0.00 -0.01 0.00 0.00 64.34 67.77 1rk7 n VAL 47 Cb 0.59 -5.60 -0.05 0.00 -0.91 0.00 0.00 33.84 27.87 1rk7 n VAL 47 CO 0.00 0.00 0.00 -2.28 -1.32 0.00 0.00 176.83 173.23 1rk7 s HIS 48 N -0.53 -0.89 0.00 3.52 5.04 -1.26 -4.88 115.29 116.29 1rk7 s HIS 48 Ca 0.00 1.64 0.00 0.00 -1.54 0.00 0.00 55.06 55.16 1rk7 s HIS 48 Cb 0.00 0.53 0.00 0.00 0.04 0.00 0.00 32.58 33.15 1rk7 s HIS 48 CO 0.00 -0.44 0.00 -1.91 -2.34 0.00 0.00 174.74 170.05 1rk7 n GLU 49 N 4.61 2.56 -1.66 2.88 2.13 -1.17 -4.91 120.64 125.07 1rk7 n GLU 49 Ca -0.15 0.00 -0.01 0.00 0.66 0.00 0.00 57.16 57.66 1rk7 n GLU 49 Cb 0.54 0.00 -0.01 0.00 0.27 0.00 0.00 31.44 32.25 1rk7 n GLU 49 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 1rk7 n GLU 50 N -0.24 -0.85 -3.26 5.31 2.13 -1.26 -4.99 120.64 117.48 1rk7 n GLU 50 Ca 0.00 1.04 0.00 0.00 0.66 0.00 0.00 57.16 58.86 1rk7 n GLU 50 Cb 0.00 -1.70 0.00 0.00 0.27 0.00 0.00 31.44 30.01 1rk7 n GLU 50 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 1rk7 n GLU 51 N 0.31 -0.44 0.00 5.31 4.07 -1.26 -5.12 120.64 123.51 1rk7 n GLU 51 Ca -0.07 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.03 1rk7 n GLU 51 Cb 0.11 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.49 1rk7 n GLU 51 CO 0.00 0.00 0.00 -3.47 -0.06 0.00 0.00 177.13 173.60 1rk7 n ASP 52 N 0.27 0.00 -1.87 4.31 2.03 -1.26 -5.07 116.55 114.96 1rk7 n ASP 52 Ca 0.00 0.00 -0.01 0.00 0.52 0.00 0.00 54.79 55.30 1rk7 n ASP 52 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 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 -3.56 -0.12 1.67 3.02 -1.26 -5.03 115.26 109.98 1rk7 n ASN 53 Ca 0.00 0.09 -0.25 0.00 -0.03 0.00 0.00 54.58 54.39 1rk7 n ASN 53 Cb 0.00 -2.15 -0.10 0.00 -0.61 0.00 0.00 39.78 36.91 1rk7 n ASN 53 CO 0.00 0.00 0.00 1.07 -2.62 0.00 0.00 177.26 175.71 1rk7 n THR 54 N -0.68 1.53 0.00 3.41 5.66 -1.26 -4.95 114.28 117.99 1rk7 n THR 54 Ca 0.02 -0.20 0.00 0.00 -3.05 0.00 0.00 64.05 60.82 1rk7 n THR 54 Cb 0.24 -1.97 0.00 0.00 -1.55 0.00 0.00 70.33 67.05 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 -3.85 0.00 -1.58 1.79 0.00 -1.26 -4.63 120.51 110.97 1rk7 n ALA 55 Ca -0.43 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 52.61 1rk7 n ALA 55 Cb 0.78 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.21 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 4.42 0.00 0.00 0.00 -1.26 -4.75 105.19 103.60 1rk7 n GLY 56 Ca 0.00 -1.61 0.00 0.00 0.00 0.00 0.00 46.02 44.41 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 -0.89 0.00 -3.13 0.00 -1.04 -1.26 -4.95 114.28 103.00 1rk7 n THR 58 Ca 0.00 -0.06 -0.20 0.00 -2.04 0.00 0.00 64.05 61.75 1rk7 n THR 58 Cb 0.00 1.05 0.02 0.00 -1.82 0.00 0.00 70.33 69.58 1rk7 n THR 58 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1rk7 n SER 59 N -1.23 -6.95 0.00 8.00 7.64 -1.26 -4.96 113.62 114.86 1rk7 n SER 59 Ca 0.05 0.23 0.00 0.00 1.01 0.00 0.00 58.87 60.15 1rk7 n SER 59 Cb 0.35 -3.88 0.00 0.00 -1.01 0.00 0.00 64.21 59.66 1rk7 n SER 59 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1rk7 n ALA 60 N -0.34 0.00 -2.88 -0.43 0.00 -1.26 -4.81 120.51 110.79 1rk7 n ALA 60 Ca 0.03 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.36 1rk7 n ALA 60 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.01 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 -0.19 0.35 3.65 0.00 0.00 -1.26 -5.12 105.19 102.63 1rk7 n GLY 61 Ca 0.00 -0.09 -0.43 0.00 0.00 0.00 0.00 46.02 45.50 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 0.48 4.11 -0.54 1.61 0.04 -1.26 -4.91 135.00 134.53 1rk7 s PRO 62 Ca 0.32 1.54 0.04 0.00 0.04 0.00 0.00 61.00 62.94 1rk7 s PRO 62 Cb 0.11 -3.82 0.17 0.00 0.04 0.00 0.00 34.50 31.00 1rk7 s PRO 62 CO -0.15 -0.86 0.40 -1.01 0.04 0.00 0.00 177.00 175.41 1rk7 s HIS 63 N 3.86 2.24 -0.23 0.56 3.76 -1.26 -4.77 115.29 119.44 1rk7 s HIS 63 Ca 0.56 -2.77 -0.03 0.00 -0.15 0.00 0.00 55.06 52.67 1rk7 s HIS 63 Cb -0.20 -1.77 0.12 0.00 1.11 0.00 0.00 32.58 31.84 1rk7 s HIS 63 CO 0.18 -0.70 0.36 0.12 -0.85 0.00 0.00 174.74 173.85 1rk7 s PHE 64 N -0.57 -0.77 0.04 1.40 2.19 -1.26 -4.83 117.98 114.18 1rk7 s PHE 64 Ca 0.28 0.84 -0.00 0.00 0.33 0.00 0.00 56.93 58.37 1rk7 s PHE 64 Cb -0.02 0.01 -0.04 0.00 -1.31 0.00 0.00 43.02 41.65 1rk7 s PHE 64 CO -0.17 -0.68 0.17 -0.80 1.83 0.00 0.00 175.22 175.57 1rk7 s ASN 65 N 2.53 6.18 -1.19 6.13 0.01 -1.26 -3.05 114.94 124.28 1rk7 s ASN 65 Ca 0.11 0.24 -0.10 0.00 -0.71 0.00 0.00 52.86 52.40 1rk7 s ASN 65 Cb -0.15 -1.87 -0.07 0.00 0.41 0.00 0.00 41.25 39.57 1rk7 s ASN 65 CO -0.15 0.20 2.39 -0.81 -1.51 0.00 0.00 177.10 177.22 1rk7 n PRO 66 N 0.57 2.64 -1.24 -0.60 -0.04 -1.26 -3.10 135.00 131.96 1rk7 n PRO 66 Ca -0.08 -1.86 -0.01 0.00 -0.04 0.00 0.00 63.50 61.51 1rk7 n PRO 66 Cb 0.52 -2.71 0.01 0.00 -0.04 0.00 0.00 33.50 31.28 1rk7 n PRO 66 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 1rk7 n LEU 67 N 4.56 -0.33 -0.04 1.53 -0.00 -1.26 -5.00 117.00 116.47 1rk7 n LEU 67 Ca 0.57 -1.07 -0.05 0.00 -0.00 0.00 0.00 56.01 55.46 1rk7 n LEU 67 Cb 0.22 0.40 -0.02 0.00 -0.00 0.00 0.00 43.42 44.02 1rk7 n LEU 67 CO 0.81 0.98 -0.37 -1.54 -0.00 0.00 0.00 177.39 177.28 1rk7 n SER 68 N -0.21 1.16 -3.73 1.96 3.41 -1.18 -4.71 113.62 110.31 1rk7 n SER 68 Ca -0.06 0.19 -0.42 0.00 -0.26 0.00 0.00 58.87 58.33 1rk7 n SER 68 Cb 0.49 -0.58 0.00 0.00 -0.26 0.00 0.00 64.21 63.86 1rk7 n SER 68 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 1rk7 n ARG 69 N -3.66 4.34 -1.52 4.33 1.85 -1.26 -0.73 116.66 120.01 1rk7 n ARG 69 Ca -0.08 -3.84 -0.30 0.00 -1.00 0.00 0.00 57.85 52.63 1rk7 n ARG 69 Cb 0.28 -2.69 -0.14 0.00 -1.05 0.00 0.00 32.46 28.86 1rk7 n ARG 69 CO 0.00 0.00 0.00 1.17 -0.01 0.00 0.00 177.63 178.79 1rk7 n LYS 70 N 2.18 0.28 -3.19 2.89 4.81 -1.26 -2.89 118.16 120.97 1rk7 n LYS 70 Ca 0.46 -0.13 -0.07 0.00 -0.87 0.00 0.00 58.31 57.70 1rk7 n LYS 70 Cb 0.31 -2.05 0.01 0.00 0.02 0.00 0.00 35.03 33.31 1rk7 n LYS 70 CO 0.00 0.00 0.00 -2.39 1.17 0.00 0.00 177.40 176.18 1rk7 n HIS 71 N 11.31 -0.91 0.00 5.64 1.44 0.26 -4.68 115.22 128.29 1rk7 n HIS 71 Ca 0.58 0.39 0.00 0.00 -2.01 0.00 0.00 57.72 56.68 1rk7 n HIS 71 Cb 0.22 -1.48 0.00 0.00 0.12 0.00 0.00 29.99 28.85 1rk7 n HIS 71 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1rk7 n GLY 72 N 0.96 1.88 0.00 -1.39 0.00 -1.14 -4.77 105.19 100.72 1rk7 n GLY 72 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 5.00 0.26 0.17 -0.02 0.00 -1.26 -4.86 105.19 104.48 1rk7 n GLY 73 Ca 0.00 -1.10 -0.18 0.00 0.00 0.00 0.00 46.02 44.74 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 0.57 -0.11 1.61 0.13 -1.99 -3.10 132.00 129.10 1rk7 h PRO 74 Ca 0.00 -0.55 0.03 0.00 -0.87 0.00 0.00 66.00 64.61 1rk7 h PRO 74 Cb 0.00 0.14 -0.00 0.00 0.13 0.00 0.00 31.00 31.27 1rk7 h PRO 74 CO 0.00 1.17 0.09 0.87 -0.23 0.00 0.00 178.00 179.90 1rk7 h LYS 75 N 0.17 0.00 -5.18 0.86 1.79 -1.97 -3.47 116.57 108.76 1rk7 h LYS 75 Ca -0.08 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.40 1rk7 h LYS 75 Cb 1.39 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 32.00 1rk7 h LYS 75 CO 0.14 0.00 -1.15 -0.25 -1.08 0.00 0.00 179.45 177.11 1rk7 n ASP 76 N -4.28 -5.89 -0.00 0.86 8.00 -1.17 -4.97 116.55 109.09 1rk7 n ASP 76 Ca -0.00 1.37 0.04 0.00 0.71 0.00 0.00 54.79 56.90 1rk7 n ASP 76 Cb 0.20 -5.10 -0.06 0.00 -0.02 0.00 0.00 41.12 36.14 1rk7 n ASP 76 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 1rk7 n GLU 77 N 1.04 1.65 -3.82 -1.24 4.07 -1.26 -5.00 120.64 116.09 1rk7 n GLU 77 Ca -0.12 -0.05 -0.09 0.00 -0.06 0.00 0.00 57.16 56.84 1rk7 n GLU 77 Cb 0.20 -1.10 -0.06 0.00 -0.06 0.00 0.00 31.44 30.42 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 -2.34 0.95 0.00 5.31 0.41 -1.26 -4.99 118.70 116.78 1rk7 s GLU 78 Ca -0.01 -0.93 0.00 0.00 -0.41 0.00 0.00 54.97 53.62 1rk7 s GLU 78 Cb 0.06 0.38 0.00 0.00 -1.78 0.00 0.00 34.13 32.79 1rk7 s GLU 78 CO 0.37 -0.33 0.00 2.89 -0.49 0.00 0.00 175.26 177.70 1rk7 n ARG 79 N -0.12 0.00 0.20 1.61 1.85 0.09 -4.32 116.66 115.96 1rk7 n ARG 79 Ca -0.14 0.00 0.09 0.00 -1.00 0.00 0.00 57.85 56.80 1rk7 n ARG 79 Cb 0.63 0.00 0.21 0.00 -1.05 0.00 0.00 32.46 32.25 1rk7 n ARG 79 CO 0.00 0.00 0.00 1.25 -0.01 0.00 0.00 177.63 178.87 1rk7 h HIS 80 N 0.00 0.00 0.00 2.89 2.76 -1.63 -3.41 115.15 115.75 1rk7 h HIS 80 Ca 0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 1rk7 h HIS 80 Cb 0.00 0.00 0.00 0.00 1.55 0.00 0.00 27.41 28.96 1rk7 h HIS 80 CO 0.00 0.18 0.00 0.28 -1.30 0.00 0.00 177.93 177.09 1rk7 n VAL 81 N -3.17 0.00 -2.62 5.26 0.31 -1.26 -5.03 118.33 111.81 1rk7 n VAL 81 Ca 0.03 0.00 -0.03 0.00 -0.01 0.00 0.00 64.34 64.33 1rk7 n VAL 81 Cb 0.56 -0.20 0.05 0.00 -0.91 0.00 0.00 33.84 33.33 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 3.48 0.18 0.40 2.92 0.00 -1.26 -5.02 105.19 105.89 1rk7 n GLY 82 Ca 0.00 -0.06 -0.07 0.00 0.00 0.00 0.00 46.02 45.89 1rk7 n GLY 82 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1rk7 n ASP 83 N -0.62 -0.88 0.00 1.61 2.03 -1.26 -4.74 116.55 112.69 1rk7 n ASP 83 Ca -0.13 1.75 0.00 0.00 0.52 0.00 0.00 54.79 56.93 1rk7 n ASP 83 Cb 0.69 -0.30 0.00 0.00 -0.72 0.00 0.00 41.12 40.79 1rk7 n ASP 83 CO 0.00 0.00 0.00 -0.11 -1.92 0.00 0.00 177.20 175.17 1rk7 n LEU 84 N -5.34 0.00 0.00 -2.67 -0.00 -1.26 -4.67 117.00 103.06 1rk7 n LEU 84 Ca 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.07 1rk7 n LEU 84 Cb 0.32 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.74 1rk7 n LEU 84 CO -0.15 0.00 0.00 0.61 -0.00 0.00 0.00 177.39 177.85 1rk7 n GLY 85 N 0.00 1.48 3.76 -3.96 0.00 -1.26 -4.93 105.19 100.28 1rk7 n GLY 85 Ca 0.00 -0.93 -0.40 0.00 0.00 0.00 0.00 46.02 44.69 1rk7 n GLY 85 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rk7 s ASN 86 N 0.00 7.36 0.54 1.61 2.20 -1.26 -4.71 114.94 120.69 1rk7 s ASN 86 Ca 0.00 1.62 0.02 0.00 -0.94 0.00 0.00 52.86 53.56 1rk7 s ASN 86 Cb 0.00 -2.51 0.04 0.00 -2.00 0.00 0.00 41.25 36.78 1rk7 s ASN 86 CO 0.00 0.12 0.76 0.68 -2.94 0.00 0.00 177.10 175.72 1rk7 s VAL 87 N -0.71 2.68 0.02 3.54 -7.23 -1.20 -4.90 120.40 112.60 1rk7 s VAL 87 Ca 0.38 -0.71 -0.05 0.00 -1.81 0.00 0.00 61.98 59.79 1rk7 s VAL 87 Cb -0.23 -2.97 -0.01 0.00 0.56 0.00 0.00 36.38 33.74 1rk7 s VAL 87 CO 0.26 0.00 0.08 -0.89 -0.31 0.00 0.00 175.10 174.23 1rk7 s THR 88 N -2.72 0.10 0.62 5.32 2.01 -1.26 -0.09 115.64 119.62 1rk7 s THR 88 Ca 0.57 -0.86 -0.08 0.00 0.31 0.00 0.00 61.69 61.64 1rk7 s THR 88 Cb -0.10 -0.49 0.00 0.00 0.01 0.00 0.00 72.50 71.92 1rk7 s THR 88 CO 0.38 -0.47 0.95 0.00 -0.69 0.00 0.00 174.62 174.79 1rk7 s ALA 89 N -1.70 3.19 0.00 7.40 0.00 -1.09 -4.39 121.76 125.17 1rk7 s ALA 89 Ca -0.13 -0.55 0.00 0.00 0.00 0.00 0.00 51.96 51.28 1rk7 s ALA 89 Cb -0.07 -2.74 0.00 0.00 0.00 0.00 0.00 23.12 20.31 1rk7 s ALA 89 CO -0.01 -0.86 0.00 -3.47 0.00 0.00 0.00 175.76 171.43 1rk7 n ASP 90 N -2.69 0.00 -0.00 0.00 2.03 0.51 -4.33 116.55 112.07 1rk7 n ASP 90 Ca 0.05 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.36 1rk7 n ASP 90 Cb 0.57 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.97 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 0.43 -0.81 -0.67 2.85 -1.26 -4.77 118.16 113.93 1rk7 n LYS 91 Ca 0.00 -0.64 -0.03 0.00 -1.05 0.00 0.00 58.31 56.58 1rk7 n LYS 91 Cb 0.00 -0.57 -0.04 0.00 -0.65 0.00 0.00 35.03 33.77 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 -0.07 -0.48 0.00 -5.58 8.00 -1.26 -4.74 116.55 112.42 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 0.14 0.00 0.00 -0.02 0.00 0.00 41.12 41.70 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 0.02 2.76 3.38 0.44 0.00 -1.24 -4.51 105.19 106.03 1rk7 n GLY 93 Ca -0.14 -0.72 -0.33 0.00 0.00 0.00 0.00 46.02 44.83 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 0.00 -3.30 1.61 0.31 -1.26 -3.94 118.33 111.76 1rk7 n VAL 94 Ca 0.00 -0.17 -0.42 0.00 -0.01 0.00 0.00 64.34 63.74 1rk7 n VAL 94 Cb 0.00 -0.31 -0.08 0.00 -0.91 0.00 0.00 33.84 32.53 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 5.61 3.46 -0.01 3.52 0.00 -1.23 -0.36 121.76 132.75 1rk7 s ALA 95 Ca 1.30 -1.19 -0.03 0.00 0.00 0.00 0.00 51.96 52.04 1rk7 s ALA 95 Cb -1.08 -2.98 -0.04 0.00 0.00 0.00 0.00 23.12 19.02 1rk7 s ALA 95 CO 0.50 -1.29 0.17 0.34 0.00 0.00 0.00 175.76 175.49 1rk7 s ASP 96 N 1.78 6.32 0.21 0.00 -1.08 -1.26 0.13 116.67 122.78 1rk7 s ASP 96 Ca 0.15 0.34 0.11 0.00 -0.52 0.00 0.00 52.55 52.63 1rk7 s ASP 96 Cb -0.16 -1.98 -0.04 0.00 -1.46 0.00 0.00 42.92 39.28 1rk7 s ASP 96 CO 0.13 0.27 -0.16 -0.69 0.52 0.00 0.00 175.17 175.24 1rk7 s VAL 97 N -1.31 2.75 -0.32 1.11 1.01 -0.32 -4.89 120.40 118.43 1rk7 s VAL 97 Ca 0.27 -1.98 -0.09 0.00 0.00 0.00 0.00 61.98 60.17 1rk7 s VAL 97 Cb -0.13 -2.38 0.20 0.00 0.00 0.00 0.00 36.38 34.08 1rk7 s VAL 97 CO 0.18 -0.20 1.12 -0.94 0.00 0.00 0.00 175.10 175.26 1rk7 s SER 98 N -2.99 -0.18 0.06 3.32 1.04 -1.21 -2.69 113.70 111.05 1rk7 s SER 98 Ca 0.25 -0.16 0.05 0.00 0.48 0.00 0.00 55.95 56.57 1rk7 s SER 98 Cb -0.07 0.24 -0.03 0.00 0.10 0.00 0.00 66.02 66.26 1rk7 s SER 98 CO 0.14 -0.01 -0.15 -0.63 0.98 0.00 0.00 173.24 173.57 1rk7 s ILE 99 N 1.40 1.16 -0.49 -1.02 1.09 -0.71 -5.00 121.20 117.62 1rk7 s ILE 99 Ca 0.19 -1.18 0.04 0.00 -1.10 0.00 0.00 60.65 58.61 1rk7 s ILE 99 Cb 0.10 -1.08 0.13 0.00 -1.06 0.00 0.00 42.46 40.55 1rk7 s ILE 99 CO -0.13 -0.10 0.24 -0.70 -0.10 0.00 0.00 174.94 174.14 1rk7 s GLU 100 N -1.46 1.83 -0.08 2.79 2.12 -1.26 -1.96 118.70 120.69 1rk7 s GLU 100 Ca 0.00 -2.46 -0.17 0.00 0.36 0.00 0.00 54.97 52.70 1rk7 s GLU 100 Cb -0.09 -3.18 -0.05 0.00 0.26 0.00 0.00 34.13 31.07 1rk7 s GLU 100 CO 0.02 -1.10 0.45 -0.51 -0.54 0.00 0.00 175.26 173.58 1rk7 s ASP 101 N -0.08 6.72 -0.39 -1.70 1.11 -1.26 -4.88 116.67 116.20 1rk7 s ASP 101 Ca 0.16 0.86 0.05 0.00 0.18 0.00 0.00 52.55 53.80 1rk7 s ASP 101 Cb -0.25 -2.27 0.45 0.00 1.07 0.00 0.00 42.92 41.92 1rk7 s ASP 101 CO -0.01 0.11 1.36 -1.54 1.18 0.00 0.00 175.17 176.27 1rk7 n SER 102 N 3.04 5.49 0.07 0.27 3.41 -1.26 -1.11 113.62 123.53 1rk7 n SER 102 Ca -0.10 -3.76 0.00 0.00 -0.26 0.00 0.00 58.87 54.76 1rk7 n SER 102 Cb 0.52 -0.49 0.00 0.00 -0.26 0.00 0.00 64.21 63.98 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 -0.72 0.71 -0.50 -3.33 0.31 -1.26 -4.80 118.33 108.74 1rk7 n VAL 103 Ca 0.47 0.24 -0.24 0.00 -0.01 0.00 0.00 64.34 64.80 1rk7 n VAL 103 Cb 0.87 -1.22 0.19 0.00 -0.91 0.00 0.00 33.84 32.77 1rk7 n VAL 103 CO 0.00 0.00 0.00 2.30 -1.32 0.00 0.00 176.83 177.81 1rk7 n ILE 104 N -3.41 0.00 -3.84 2.52 -6.64 -1.26 -4.83 119.36 101.90 1rk7 n ILE 104 Ca 0.00 -0.11 -0.12 0.00 -1.77 0.00 0.00 62.75 60.75 1rk7 n ILE 104 Cb 0.04 -0.63 -0.11 0.00 -1.44 0.00 0.00 39.64 37.51 1rk7 n ILE 104 CO 0.00 0.00 0.00 -0.44 -1.77 0.00 0.00 176.55 174.34 1rk7 s SER 105 N -2.16 -0.08 0.11 7.28 0.01 0.40 -4.85 113.70 114.41 1rk7 s SER 105 Ca 0.48 0.06 -0.31 0.00 1.31 0.00 0.00 55.95 57.49 1rk7 s SER 105 Cb -0.09 0.29 -0.10 0.00 0.21 0.00 0.00 66.02 66.33 1rk7 s SER 105 CO 0.47 -0.25 1.59 -0.07 0.41 0.00 0.00 173.24 175.38 1rk7 h LEU 106 N 4.90 -1.25 -5.63 2.44 -0.00 -1.94 0.45 115.31 114.29 1rk7 h LEU 106 Ca -0.28 0.14 -0.19 0.00 -0.00 0.00 0.00 57.88 57.54 1rk7 h LEU 106 Cb 1.19 0.47 -0.21 0.00 -0.00 0.00 0.00 40.66 42.12 1rk7 h LEU 106 CO 0.40 -0.48 -0.55 -0.55 -0.00 0.00 0.00 178.44 177.25 1rk7 s SER 107 N -4.73 -0.85 0.00 -0.43 0.15 -1.26 -2.10 113.70 104.48 1rk7 s SER 107 Ca -0.16 -1.55 0.00 0.00 0.70 0.00 0.00 55.95 54.93 1rk7 s SER 107 Cb 0.08 1.51 0.00 0.00 -1.71 0.00 0.00 66.02 65.90 1rk7 s SER 107 CO 0.63 -0.13 0.00 0.61 1.20 0.00 0.00 173.24 175.56 1rk7 n GLY 108 N 3.56 2.82 2.07 9.45 0.00 -1.26 -4.88 105.19 116.95 1rk7 n GLY 108 Ca 0.16 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.11 1rk7 n GLY 108 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1rk7 n ASP 109 N 0.00 0.00 -2.72 1.61 2.03 -1.26 -4.43 116.55 111.78 1rk7 n ASP 109 Ca 0.00 0.00 -0.08 0.00 0.52 0.00 0.00 54.79 55.23 1rk7 n ASP 109 Cb 0.00 0.00 0.09 0.00 -0.72 0.00 0.00 41.12 40.49 1rk7 n ASP 109 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 1rk7 n HIS 110 N 0.00 -1.84 -1.57 -0.67 8.25 -1.26 -4.91 115.22 113.22 1rk7 n HIS 110 Ca 0.00 -2.20 -0.57 0.00 -0.26 0.00 0.00 57.72 54.69 1rk7 n HIS 110 Cb 0.00 1.19 -0.08 0.00 1.12 0.00 0.00 29.99 32.22 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 -0.29 1.95 0.09 0.41 3.41 -1.06 -0.45 113.62 117.68 1rk7 n SER 111 Ca 0.02 0.84 0.01 0.00 -0.26 0.00 0.00 58.87 59.48 1rk7 n SER 111 Cb 0.81 -1.11 -0.03 0.00 -0.26 0.00 0.00 64.21 63.62 1rk7 n SER 111 CO 0.00 0.00 0.00 0.16 -0.16 0.00 0.00 175.04 175.04 1rk7 h ILE 112 N 6.02 0.77 -0.63 -1.33 3.07 0.46 -3.46 117.51 122.41 1rk7 h ILE 112 Ca -0.35 -2.20 -0.68 0.00 1.55 0.00 0.00 64.86 63.18 1rk7 h ILE 112 Cb 1.34 2.29 -0.03 0.00 -0.27 0.00 0.00 36.82 40.15 1rk7 h ILE 112 CO 1.00 0.44 1.43 -0.38 -1.05 0.00 0.00 178.15 179.59 1rk7 n ILE 113 N -3.09 0.09 0.00 0.16 2.08 -1.18 -0.17 119.36 117.25 1rk7 n ILE 113 Ca -0.03 -0.17 0.00 0.00 0.56 0.00 0.00 62.75 63.11 1rk7 n ILE 113 Cb 0.79 -1.19 0.00 0.00 -0.75 0.00 0.00 39.64 38.49 1rk7 n ILE 113 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1rk7 n GLY 114 N 6.85 1.56 2.83 7.39 0.00 -1.26 -5.00 105.19 117.55 1rk7 n GLY 114 Ca 0.48 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 46.08 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 -0.63 4.64 -1.58 1.61 5.12 0.76 -4.65 116.66 121.93 1rk7 n ARG 115 Ca 0.00 -4.31 -0.41 0.00 -1.93 0.00 0.00 57.85 51.20 1rk7 n ARG 115 Cb 0.00 -2.58 0.02 0.00 -1.16 0.00 0.00 32.46 28.74 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 1.29 2.49 -3.40 0.55 5.66 -1.26 -4.36 114.28 115.24 1rk7 n THR 116 Ca 0.38 -0.50 -0.39 0.00 -3.05 0.00 0.00 64.05 60.49 1rk7 n THR 116 Cb 0.31 -1.05 -0.03 0.00 -1.55 0.00 0.00 70.33 68.00 1rk7 n THR 116 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 1rk7 n LEU 117 N 0.47 4.96 -4.99 1.09 7.99 -1.26 -3.52 117.00 121.74 1rk7 n LEU 117 Ca 0.10 -5.17 -0.22 0.00 -0.01 0.00 0.00 56.01 50.71 1rk7 n LEU 117 Cb 0.40 -1.18 0.08 0.00 -0.11 0.00 0.00 43.42 42.61 1rk7 n LEU 117 CO 0.55 1.60 0.47 0.68 -1.51 0.00 0.00 177.39 179.18 1rk7 s VAL 118 N -1.80 2.32 -0.15 4.08 -7.23 -1.26 -4.57 120.40 111.79 1rk7 s VAL 118 Ca 0.31 -0.65 0.01 0.00 -1.81 0.00 0.00 61.98 59.84 1rk7 s VAL 118 Cb -0.03 -2.67 0.02 0.00 0.56 0.00 0.00 36.38 34.26 1rk7 s VAL 118 CO -0.05 0.00 -0.16 0.68 -0.31 0.00 0.00 175.10 175.25 1rk7 s VAL 119 N -2.98 1.71 -0.39 1.32 -7.23 -1.26 -3.49 120.40 108.08 1rk7 s VAL 119 Ca 0.63 -0.73 -0.26 0.00 -1.81 0.00 0.00 61.98 59.81 1rk7 s VAL 119 Cb -0.07 -1.57 0.02 0.00 0.56 0.00 0.00 36.38 35.32 1rk7 s VAL 119 CO 0.42 0.48 0.93 -2.28 -0.31 0.00 0.00 175.10 174.34 1rk7 s HIS 120 N 1.29 3.04 -0.34 2.82 5.65 -1.24 -3.98 115.29 122.53 1rk7 s HIS 120 Ca 0.02 0.70 -0.37 0.00 0.25 0.00 0.00 55.06 55.66 1rk7 s HIS 120 Cb -0.13 -3.73 -0.16 0.00 -1.18 0.00 0.00 32.58 27.37 1rk7 s HIS 120 CO -0.09 -0.89 1.21 -1.91 -0.65 0.00 0.00 174.74 172.41 1rk7 n GLU 121 N 6.88 0.00 -0.60 2.88 0.00 -0.91 -1.14 120.64 127.76 1rk7 n GLU 121 Ca 0.07 0.00 0.01 0.00 0.00 0.00 0.00 57.16 57.24 1rk7 n GLU 121 Cb 0.48 -1.20 -0.01 0.00 0.00 0.00 0.00 31.44 30.72 1rk7 n GLU 121 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.13 178.30 1rk7 n LYS 122 N 2.87 -1.54 -2.21 5.31 4.81 -1.26 -3.95 118.16 122.19 1rk7 n LYS 122 Ca 0.23 1.21 -0.20 0.00 -0.87 0.00 0.00 58.31 58.68 1rk7 n LYS 122 Cb -0.03 -1.55 0.11 0.00 0.02 0.00 0.00 35.03 33.57 1rk7 n LYS 122 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1rk7 n ALA 123 N -2.14 0.02 -2.90 3.14 0.00 -1.25 -0.89 120.51 116.50 1rk7 n ALA 123 Ca -0.01 -1.64 -0.44 0.00 0.00 0.00 0.00 53.44 51.35 1rk7 n ALA 123 Cb 0.21 0.24 -0.01 0.00 0.00 0.00 0.00 19.45 19.88 1rk7 n ALA 123 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1rk7 s ASP 124 N -4.52 6.84 0.66 0.00 -1.08 -1.26 -4.22 116.67 113.09 1rk7 s ASP 124 Ca 0.57 -2.47 0.36 0.00 -0.52 0.00 0.00 52.55 50.49 1rk7 s ASP 124 Cb -0.03 -2.42 1.95 0.00 -1.46 0.00 0.00 42.92 40.96 1rk7 s ASP 124 CO 0.38 -0.95 2.11 -0.78 0.52 0.00 0.00 175.17 176.45 1rk7 h ASP 125 N 8.05 0.00 -1.15 -0.34 1.82 -1.86 -3.44 116.42 119.50 1rk7 h ASP 125 Ca 0.25 0.00 -0.41 0.00 -0.39 0.00 0.00 57.03 56.48 1rk7 h ASP 125 Cb 0.95 0.00 -0.16 0.00 0.68 0.00 0.00 39.33 40.80 1rk7 h ASP 125 CO 1.21 0.00 -0.38 0.18 -1.61 0.00 0.00 179.24 178.64 1rk7 n LEU 126 N -3.03 -1.48 0.00 2.28 4.77 -1.26 -4.73 117.00 113.54 1rk7 n LEU 126 Ca -0.02 0.47 0.00 0.00 -0.03 0.00 0.00 56.01 56.43 1rk7 n LEU 126 Cb 0.26 -2.78 0.00 0.00 -2.33 0.00 0.00 43.42 38.57 1rk7 n LEU 126 CO 0.17 -1.01 0.00 0.61 -1.33 0.00 0.00 177.39 175.83 1rk7 n GLY 127 N -0.40 -0.36 0.41 -0.72 0.00 -1.26 -4.86 105.19 97.99 1rk7 n GLY 127 Ca -0.20 0.66 0.00 0.00 0.00 0.00 0.00 46.02 46.48 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 0.00 0.00 -0.05 1.61 5.02 -1.26 -4.92 118.16 118.55 1rk7 n LYS 128 Ca 0.00 0.00 -0.11 0.00 -2.02 0.00 0.00 58.31 56.18 1rk7 n LYS 128 Cb 0.00 -0.01 -0.15 0.00 -0.02 0.00 0.00 35.03 34.85 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 3.68 -0.90 0.00 0.72 0.00 -1.26 -5.07 105.19 102.36 1rk7 n GLY 129 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.84 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 1.73 1.33 2.56 -0.02 0.00 -1.26 -5.12 105.19 104.41 1rk7 n GLY 130 Ca -0.26 0.22 -0.29 0.00 0.00 0.00 0.00 46.02 45.69 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 2.00 3.39 0.00 1.61 0.01 -1.26 -4.54 114.94 116.15 1rk7 s ASN 131 Ca 0.00 -1.21 0.00 0.00 -0.71 0.00 0.00 52.86 50.94 1rk7 s ASN 131 Cb 0.00 -0.37 0.00 0.00 0.41 0.00 0.00 41.25 41.29 1rk7 s ASN 131 CO 0.00 -0.42 0.00 -0.62 -1.51 0.00 0.00 177.10 174.55 1rk7 n GLU 132 N 5.23 0.00 -0.11 -0.60 1.02 -1.26 -4.93 120.64 119.99 1rk7 n GLU 132 Ca -0.06 0.00 -0.19 0.00 -0.02 0.00 0.00 57.16 56.89 1rk7 n GLU 132 Cb 0.43 0.00 -0.08 0.00 -0.02 0.00 0.00 31.44 31.78 1rk7 n GLU 132 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1rk7 n GLN 133 N 0.00 0.54 0.19 3.49 3.00 -1.26 -4.39 117.38 118.95 1rk7 n GLN 133 Ca 0.00 0.40 0.11 0.00 -0.01 0.00 0.00 57.00 57.50 1rk7 n GLN 133 Cb 0.00 -1.60 0.12 0.00 0.00 0.00 0.00 30.24 28.77 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 -1.00 0.00 -0.11 1.08 4.64 -1.87 -1.81 113.55 114.48 1rk7 h SER 134 Ca -0.33 0.00 0.03 0.00 -0.47 0.00 0.00 61.79 61.02 1rk7 h SER 134 Cb 1.20 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.28 1rk7 h SER 134 CO -0.20 0.07 0.12 0.71 -0.87 0.00 0.00 176.83 176.65 1rk7 h THR 135 N 0.00 0.52 0.00 2.95 1.35 -1.88 -3.18 112.91 112.67 1rk7 h THR 135 Ca -0.00 0.00 -0.21 0.00 -0.55 0.00 0.00 66.41 65.65 1rk7 h THR 135 Cb 1.05 0.90 -0.03 0.00 -1.73 0.00 0.00 68.15 68.35 1rk7 h THR 135 CO 0.01 0.00 -1.64 2.29 -0.25 0.00 0.00 175.52 175.93 1rk7 n LYS 136 N -3.87 0.29 0.00 4.72 2.85 -1.21 0.93 118.16 121.87 1rk7 n LYS 136 Ca -0.00 0.13 0.00 0.00 -1.05 0.00 0.00 58.31 57.39 1rk7 n LYS 136 Cb 0.23 -0.99 0.00 0.00 -0.65 0.00 0.00 35.03 33.61 1rk7 n LYS 136 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 1rk7 n THR 137 N -3.67 0.00 -2.80 0.58 -2.24 -0.69 -4.88 114.28 100.58 1rk7 n THR 137 Ca -0.25 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.51 1rk7 n THR 137 Cb 0.65 0.00 0.05 0.00 -2.10 0.00 0.00 70.33 68.93 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 4.28 1.73 4.07 3.38 0.00 -1.24 -4.30 105.19 113.11 1rk7 n GLY 138 Ca 0.00 -1.06 -0.33 0.00 0.00 0.00 0.00 46.02 44.63 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 -0.53 -1.85 0.10 1.61 5.15 -1.17 -4.54 115.26 114.02 1rk7 n ASN 139 Ca 0.06 -0.85 0.00 0.00 -0.60 0.00 0.00 54.58 53.19 1rk7 n ASN 139 Cb 0.81 -1.62 0.00 0.00 -0.53 0.00 0.00 39.78 38.43 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 -3.75 2.79 -3.77 5.20 0.00 -1.26 -5.02 120.51 114.71 1rk7 n ALA 140 Ca 0.09 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.24 1rk7 n ALA 140 Cb 0.47 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.92 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 1.29 -0.88 2.76 0.00 0.00 -1.25 -4.90 105.19 102.20 1rk7 n GLY 141 Ca 0.00 0.39 -0.29 0.00 0.00 0.00 0.00 46.02 46.12 1rk7 n GLY 141 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1rk7 s SER 142 N -3.26 3.77 1.11 1.61 0.15 -1.26 -4.92 113.70 110.90 1rk7 s SER 142 Ca 0.18 -3.03 -0.16 0.00 0.70 0.00 0.00 55.95 53.64 1rk7 s SER 142 Cb -0.10 -1.21 0.21 0.00 -1.71 0.00 0.00 66.02 63.20 1rk7 s SER 142 CO 0.75 -0.21 0.40 -1.14 1.20 0.00 0.00 173.24 174.24 1rk7 n ARG 143 N 3.03 -2.68 0.00 5.44 0.63 -1.26 -2.14 116.66 119.67 1rk7 n ARG 143 Ca 0.13 -0.79 0.00 0.00 -0.92 0.00 0.00 57.85 56.27 1rk7 n ARG 143 Cb 0.36 -1.60 0.00 0.00 0.45 0.00 0.00 32.46 31.67 1rk7 n ARG 143 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 1rk7 n LEU 144 N -2.22 0.00 -4.92 6.15 4.77 -1.26 -4.79 117.00 114.74 1rk7 n LEU 144 Ca 0.07 0.00 -0.23 0.00 -0.03 0.00 0.00 56.01 55.82 1rk7 n LEU 144 Cb 0.43 0.19 0.00 0.00 -2.33 0.00 0.00 43.42 41.71 1rk7 n LEU 144 CO 0.31 -0.35 0.10 0.00 -1.33 0.00 0.00 177.39 176.11 1rk7 s ALA 145 N -1.48 4.37 -0.48 -1.18 0.00 -1.26 0.23 121.76 121.97 1rk7 s ALA 145 Ca 0.00 -1.65 0.06 0.00 0.00 0.00 0.00 51.96 50.37 1rk7 s ALA 145 Cb 0.00 -0.98 0.23 0.00 0.00 0.00 0.00 23.12 22.36 1rk7 s ALA 145 CO 0.00 -0.46 0.78 0.00 0.00 0.00 0.00 175.76 176.07 1rk7 h GLY 147 N 4.29 -0.08 -3.24 0.00 0.00 -1.81 -3.42 103.07 98.81 1rk7 h GLY 147 Ca -0.05 0.36 0.00 0.00 0.00 0.00 0.00 47.33 47.64 1rk7 h GLY 147 CO 0.28 -0.21 -0.73 -0.62 0.00 0.00 0.00 176.54 175.26 1rk7 n VAL 148 N -5.41 -6.02 -2.20 4.60 0.31 -1.26 -4.10 118.33 104.25 1rk7 n VAL 148 Ca 0.02 2.17 -0.38 0.00 -0.01 0.00 0.00 64.34 66.14 1rk7 n VAL 148 Cb 0.33 -3.29 -0.01 0.00 -0.91 0.00 0.00 33.84 29.96 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 -1.47 2.94 -0.27 2.52 -1.09 -1.26 -4.08 121.20 118.48 1rk7 s ILE 149 Ca 0.00 0.79 -0.01 0.00 -2.23 0.00 0.00 60.65 59.20 1rk7 s ILE 149 Cb 0.00 -3.44 0.16 0.00 -1.58 0.00 0.00 42.46 37.60 1rk7 s ILE 149 CO 0.00 0.07 0.48 -0.83 -1.23 0.00 0.00 174.94 173.43 1rk7 s GLY 150 N -1.04 -0.71 0.48 6.18 0.00 0.18 -4.10 107.32 108.31 1rk7 s GLY 150 Ca 0.59 1.24 -0.20 0.00 0.00 0.00 0.00 44.72 46.34 1rk7 s GLY 150 CO 0.41 3.03 0.33 1.39 0.00 0.00 0.00 173.10 178.26 1rk7 n ILE 151 N 5.39 1.37 -4.31 0.90 2.08 -1.26 -0.47 119.36 123.06 1rk7 n ILE 151 Ca -0.02 -0.50 -0.16 0.00 0.56 0.00 0.00 62.75 62.63 1rk7 n ILE 151 Cb 0.51 -0.39 -0.10 0.00 -0.75 0.00 0.00 39.64 38.90 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 -1.70 1.68 -2.00 -1.39 0.00 0.59 -4.71 121.76 114.23 1rk7 s ALA 152 Ca 0.63 -1.84 0.12 0.00 0.00 0.00 0.00 51.96 50.87 1rk7 s ALA 152 Cb -0.53 1.01 0.72 0.00 0.00 0.00 0.00 23.12 24.31 1rk7 s ALA 152 CO 0.59 -0.45 1.15 0.00 0.00 0.00 0.00 175.76 177.06