#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 0.04 -0.13 0.00 -4.23 0.28 -3.91 115.64 107.70 1rk7 s THR 2 Ca 0.00 -2.00 -0.15 0.00 -1.18 0.00 0.00 61.69 58.36 1rk7 s THR 2 Cb 0.00 -2.49 -0.05 0.00 1.34 0.00 0.00 72.50 71.30 1rk7 s THR 2 CO 0.00 0.00 0.35 -0.75 -0.54 0.00 0.00 174.62 173.68 1rk7 s LYS 3 N -3.66 4.21 0.31 3.99 2.36 -1.26 -2.11 119.74 123.59 1rk7 s LYS 3 Ca 0.39 0.22 0.08 0.00 -2.55 0.00 0.00 55.97 54.11 1rk7 s LYS 3 Cb 0.04 -3.39 -0.03 0.00 -1.05 0.00 0.00 37.83 33.39 1rk7 s LYS 3 CO 0.23 0.29 0.23 0.00 1.55 0.00 0.00 175.35 177.65 1rk7 s ALA 4 N 0.26 3.68 0.16 3.13 0.00 0.45 -1.69 121.76 127.74 1rk7 s ALA 4 Ca 0.20 -1.63 0.05 0.00 0.00 0.00 0.00 51.96 50.59 1rk7 s ALA 4 Cb -0.14 -1.11 -0.04 0.00 0.00 0.00 0.00 23.12 21.83 1rk7 s ALA 4 CO 0.07 0.09 -0.11 0.08 0.00 0.00 0.00 175.76 175.88 1rk7 s VAL 5 N -2.29 1.30 -0.38 0.00 1.01 -0.11 0.13 120.40 120.07 1rk7 s VAL 5 Ca 0.38 -2.07 0.06 0.00 0.00 0.00 0.00 61.98 60.34 1rk7 s VAL 5 Cb -0.06 -1.87 0.17 0.00 0.00 0.00 0.00 36.38 34.63 1rk7 s VAL 5 CO 0.25 -0.70 0.54 0.00 0.00 0.00 0.00 175.10 175.19 1rk7 s ALA 6 N -3.18 -1.73 -0.76 5.51 0.00 0.23 -0.85 121.76 120.98 1rk7 s ALA 6 Ca 0.17 -0.06 -0.25 0.00 0.00 0.00 0.00 51.96 51.83 1rk7 s ALA 6 Cb 0.01 -2.48 0.05 0.00 0.00 0.00 0.00 23.12 20.70 1rk7 s ALA 6 CO 0.02 -2.13 1.21 0.08 0.00 0.00 0.00 175.76 174.94 1rk7 s VAL 7 N 1.86 3.94 0.33 0.00 1.01 -1.26 -1.39 120.40 124.88 1rk7 s VAL 7 Ca 0.15 0.00 -0.24 0.00 0.00 0.00 0.00 61.98 61.90 1rk7 s VAL 7 Cb -0.08 -4.87 -0.16 0.00 0.00 0.00 0.00 36.38 31.27 1rk7 s VAL 7 CO -0.09 -1.75 0.32 0.18 0.00 0.00 0.00 175.10 173.76 1rk7 n LEU 8 N 8.79 -1.81 0.00 3.92 7.99 0.15 -4.71 117.00 131.33 1rk7 n LEU 8 Ca 0.06 0.95 0.00 0.00 -0.01 0.00 0.00 56.01 57.00 1rk7 n LEU 8 Cb 0.48 -0.95 0.00 0.00 -0.11 0.00 0.00 43.42 42.85 1rk7 n LEU 8 CO 0.68 -3.53 0.00 1.17 -1.51 0.00 0.00 177.39 174.20 1rk7 n LYS 9 N 1.11 0.00 0.00 3.23 4.81 -1.25 -4.43 118.16 121.63 1rk7 n LYS 9 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.58 1rk7 n LYS 9 Cb 0.34 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.39 1rk7 n LYS 9 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1rk7 n GLY 10 N 0.00 -1.72 0.15 3.14 0.00 -1.26 -3.18 105.19 102.32 1rk7 n GLY 10 Ca 0.00 0.66 -0.04 0.00 0.00 0.00 0.00 46.02 46.64 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 -0.80 0.00 1.61 3.58 -1.85 -3.47 116.42 115.50 1rk7 h ASP 11 Ca 0.00 0.12 0.00 0.00 0.42 0.00 0.00 57.03 57.57 1rk7 h ASP 11 Cb 0.00 0.35 0.00 0.00 1.72 0.00 0.00 39.33 41.40 1rk7 h ASP 11 CO 0.00 -0.08 0.00 0.61 -2.88 0.00 0.00 179.24 176.89 1rk7 n GLY 12 N -1.09 0.87 0.09 -0.78 0.00 -1.26 -4.98 105.19 98.03 1rk7 n GLY 12 Ca 0.01 0.05 -0.12 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.08 -5.56 1.61 0.13 -1.90 -3.41 132.00 122.79 1rk7 h PRO 13 Ca 0.00 0.01 -0.26 0.00 -0.87 0.00 0.00 66.00 64.88 1rk7 h PRO 13 Cb 0.00 0.02 -0.01 0.00 0.13 0.00 0.00 31.00 31.14 1rk7 h PRO 13 CO 0.00 0.52 0.83 0.08 -0.23 0.00 0.00 178.00 179.20 1rk7 s VAL 14 N -3.08 3.10 -0.36 1.56 1.01 -1.15 -4.15 120.40 117.33 1rk7 s VAL 14 Ca -0.15 -0.02 0.14 0.00 0.00 0.00 0.00 61.98 61.95 1rk7 s VAL 14 Cb -0.00 -3.24 0.44 0.00 0.00 0.00 0.00 36.38 33.58 1rk7 s VAL 14 CO 0.56 -0.23 0.99 1.67 0.00 0.00 0.00 175.10 178.09 1rk7 n GLN 15 N 8.93 1.84 -0.25 2.72 7.27 -0.63 -3.87 117.38 133.39 1rk7 n GLN 15 Ca 0.40 -3.64 -0.05 0.00 0.07 0.00 0.00 57.00 53.77 1rk7 n GLN 15 Cb 0.49 -1.56 0.04 0.00 2.41 0.00 0.00 30.24 31.62 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 -0.18 -1.76 2.78 1.69 0.00 -1.26 -4.69 105.19 101.77 1rk7 n GLY 16 Ca 0.18 -1.58 -0.18 0.00 0.00 0.00 0.00 46.02 44.44 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 -1.42 -0.24 -0.07 -0.61 1.01 0.40 -0.67 121.20 119.61 1rk7 s ILE 17 Ca 0.12 0.21 0.05 0.00 0.00 0.00 0.00 60.65 61.03 1rk7 s ILE 17 Cb -0.01 -0.38 -0.00 0.00 0.01 0.00 0.00 42.46 42.08 1rk7 s ILE 17 CO 0.09 0.03 -0.21 -0.51 0.00 0.00 0.00 174.94 174.34 1rk7 s ILE 18 N 2.27 1.78 0.12 2.92 -1.16 -0.49 -1.11 121.20 125.54 1rk7 s ILE 18 Ca 0.04 -0.89 0.10 0.00 -0.51 0.00 0.00 60.65 59.38 1rk7 s ILE 18 Cb -0.13 -1.53 -0.04 0.00 0.61 0.00 0.00 42.46 41.37 1rk7 s ILE 18 CO -0.07 0.50 -0.23 0.20 -2.81 0.00 0.00 174.94 172.53 1rk7 s ASN 19 N 0.11 2.93 -0.42 4.50 -0.87 0.33 0.77 114.94 122.29 1rk7 s ASN 19 Ca -0.09 -0.74 0.03 0.00 -1.57 0.00 0.00 52.86 50.49 1rk7 s ASN 19 Cb -0.14 -0.18 0.12 0.00 -0.02 0.00 0.00 41.25 41.02 1rk7 s ASN 19 CO 0.05 0.11 0.17 -0.36 -2.57 0.00 0.00 177.10 174.50 1rk7 s PHE 20 N -1.22 2.86 -0.18 2.20 0.40 0.35 -2.37 117.98 120.02 1rk7 s PHE 20 Ca 0.11 -2.76 -0.26 0.00 -0.60 0.00 0.00 56.93 53.43 1rk7 s PHE 20 Cb -0.10 -2.48 -0.01 0.00 0.51 0.00 0.00 43.02 40.94 1rk7 s PHE 20 CO 0.06 -0.83 0.86 -2.00 0.70 0.00 0.00 175.22 174.01 1rk7 s GLU 21 N 0.45 4.29 -0.42 0.44 2.12 -1.04 0.17 118.70 124.70 1rk7 s GLU 21 Ca 0.14 1.06 0.09 0.00 0.36 0.00 0.00 54.97 56.62 1rk7 s GLU 21 Cb -0.23 -3.59 0.32 0.00 0.26 0.00 0.00 34.13 30.90 1rk7 s GLU 21 CO -0.06 -0.38 0.90 0.94 -0.54 0.00 0.00 175.26 176.12 1rk7 n GLN 22 N 5.43 0.96 -2.49 4.30 0.00 -0.89 0.09 117.38 124.76 1rk7 n GLN 22 Ca 0.06 -2.60 -0.42 0.00 -0.00 0.00 0.00 57.00 54.04 1rk7 n GLN 22 Cb 0.48 -1.35 0.01 0.00 0.00 0.00 0.00 30.24 29.38 1rk7 n GLN 22 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.06 178.23 1rk7 n LYS 23 N 0.52 4.53 -3.68 3.69 4.81 -1.25 -0.55 118.16 126.22 1rk7 n LYS 23 Ca 0.15 -4.05 -0.13 0.00 -0.87 0.00 0.00 58.31 53.41 1rk7 n LYS 23 Cb 0.66 -2.64 -0.09 0.00 0.02 0.00 0.00 35.03 32.99 1rk7 n LYS 23 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 1rk7 s GLU 24 N -1.95 0.64 0.00 1.64 2.02 -1.26 -4.73 118.70 115.07 1rk7 s GLU 24 Ca 0.41 0.81 0.25 0.00 0.02 0.00 0.00 54.97 56.46 1rk7 s GLU 24 Cb 0.13 0.29 1.20 0.00 0.10 0.00 0.00 34.13 35.84 1rk7 s GLU 24 CO -0.02 -0.09 1.84 0.43 0.02 0.00 0.00 175.26 177.44 1rk7 n SER 25 N 2.96 0.00 -1.05 -0.19 7.64 -1.26 -2.47 113.62 119.25 1rk7 n SER 25 Ca -0.15 0.16 -0.04 0.00 1.01 0.00 0.00 58.87 59.86 1rk7 n SER 25 Cb 0.56 -0.37 -0.04 0.00 -1.01 0.00 0.00 64.21 63.34 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 -1.37 -0.49 -4.73 6.43 3.02 -1.26 -4.96 115.26 111.89 1rk7 n ASN 26 Ca 0.10 -1.92 -0.25 0.00 -0.03 0.00 0.00 54.58 52.47 1rk7 n ASN 26 Cb 0.24 0.14 -0.06 0.00 -0.61 0.00 0.00 39.78 39.49 1rk7 n ASN 26 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1rk7 s GLY 27 N -1.12 1.67 0.87 7.41 0.00 -1.23 -5.03 107.32 109.89 1rk7 s GLY 27 Ca 0.07 -1.35 -0.12 0.00 0.00 0.00 0.00 44.72 43.32 1rk7 s GLY 27 CO -0.03 -1.37 1.12 2.56 0.00 0.00 0.00 173.10 175.38 1rk7 s PRO 28 N -3.20 1.47 -0.64 2.90 0.04 -1.26 -4.77 135.00 129.54 1rk7 s PRO 28 Ca 0.30 0.41 -0.18 0.00 0.04 0.00 0.00 61.00 61.57 1rk7 s PRO 28 Cb -0.09 -1.87 0.13 0.00 0.04 0.00 0.00 34.50 32.71 1rk7 s PRO 28 CO 0.21 -2.00 0.70 0.08 0.04 0.00 0.00 177.00 176.04 1rk7 s VAL 29 N -3.24 4.99 -0.83 -0.36 1.01 0.17 -4.56 120.40 117.59 1rk7 s VAL 29 Ca 0.63 -1.33 -0.26 0.00 0.00 0.00 0.00 61.98 61.02 1rk7 s VAL 29 Cb -0.15 -4.48 -0.14 0.00 0.00 0.00 0.00 36.38 31.61 1rk7 s VAL 29 CO 0.54 -1.09 2.36 -0.54 0.00 0.00 0.00 175.10 176.36 1rk7 s LYS 30 N 2.15 1.59 -0.29 2.72 1.02 0.11 -3.73 119.74 123.32 1rk7 s LYS 30 Ca 0.12 0.36 -0.25 0.00 0.02 0.00 0.00 55.97 56.22 1rk7 s LYS 30 Cb -0.22 -4.82 0.00 0.00 -0.52 0.00 0.00 37.83 32.27 1rk7 s LYS 30 CO 0.02 -4.53 0.86 0.08 -0.92 0.00 0.00 175.35 170.87 1rk7 s VAL 31 N 14.86 4.75 0.12 3.17 1.01 0.63 -2.50 120.40 142.44 1rk7 s VAL 31 Ca 0.90 1.42 -0.12 0.00 0.00 0.00 0.00 61.98 64.18 1rk7 s VAL 31 Cb -0.12 -4.19 0.01 0.00 0.00 0.00 0.00 36.38 32.08 1rk7 s VAL 31 CO 0.09 -0.24 0.30 -1.66 0.00 0.00 0.00 175.10 173.58 1rk7 s TRP 32 N 3.06 0.04 -1.10 5.22 -2.14 -1.00 0.07 118.94 123.08 1rk7 s TRP 32 Ca 0.36 -0.42 0.00 0.00 2.66 0.00 0.00 56.10 58.70 1rk7 s TRP 32 Cb -0.14 0.08 0.00 0.00 -3.10 0.00 0.00 33.47 30.31 1rk7 s TRP 32 CO 0.11 -0.64 0.00 0.41 -2.66 0.00 0.00 176.95 174.17 1rk7 n GLY 33 N -0.15 -1.30 3.49 3.67 0.00 -1.12 -0.52 105.19 109.26 1rk7 n GLY 33 Ca -0.14 -0.92 -0.05 0.00 0.00 0.00 0.00 46.02 44.91 1rk7 n GLY 33 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1rk7 s SER 34 N -3.50 -0.77 0.66 1.61 1.04 -0.26 -1.79 113.70 110.69 1rk7 s SER 34 Ca 0.00 1.32 -0.08 0.00 0.48 0.00 0.00 55.95 57.66 1rk7 s SER 34 Cb 0.00 1.70 0.02 0.00 0.10 0.00 0.00 66.02 67.84 1rk7 s SER 34 CO 0.00 -0.22 0.99 -0.63 0.98 0.00 0.00 173.24 174.36 1rk7 s ILE 35 N 2.44 3.29 -0.28 -1.02 1.09 0.41 -0.45 121.20 126.68 1rk7 s ILE 35 Ca -0.06 0.10 -0.01 0.00 -1.10 0.00 0.00 60.65 59.59 1rk7 s ILE 35 Cb -0.10 -3.36 0.17 0.00 -1.06 0.00 0.00 42.46 38.10 1rk7 s ILE 35 CO -0.17 -0.41 0.50 -0.54 -0.10 0.00 0.00 174.94 174.22 1rk7 s LYS 36 N -5.18 0.47 0.00 2.79 1.02 -1.26 -3.46 119.74 114.12 1rk7 s LYS 36 Ca 0.57 0.72 0.00 0.00 0.02 0.00 0.00 55.97 57.27 1rk7 s LYS 36 Cb -0.11 0.07 0.00 0.00 -0.52 0.00 0.00 37.83 37.27 1rk7 s LYS 36 CO 0.47 -0.70 0.00 0.41 -0.92 0.00 0.00 175.35 174.61 1rk7 n GLY 37 N 5.40 3.52 0.73 -3.33 0.00 -1.26 -1.60 105.19 108.65 1rk7 n GLY 37 Ca -0.01 -0.53 -0.04 0.00 0.00 0.00 0.00 46.02 45.43 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 -4.00 0.99 4.32 -1.26 -4.88 117.00 112.16 1rk7 n LEU 38 Ca 0.00 -0.13 -0.20 0.00 -0.02 0.00 0.00 56.01 55.67 1rk7 n LEU 38 Cb 0.00 -0.19 -0.15 0.00 -1.62 0.00 0.00 43.42 41.46 1rk7 n LEU 38 CO 0.00 -1.59 -0.43 0.42 -1.22 0.00 0.00 177.39 174.56 1rk7 s THR 39 N -0.95 0.74 -0.33 -5.08 -4.23 -1.26 -3.55 115.64 100.98 1rk7 s THR 39 Ca 0.10 -0.36 -0.38 0.00 -1.18 0.00 0.00 61.69 59.87 1rk7 s THR 39 Cb -0.02 -0.64 -0.17 0.00 1.34 0.00 0.00 72.50 73.01 1rk7 s THR 39 CO 0.08 0.22 1.24 -1.84 -0.54 0.00 0.00 174.62 173.79 1rk7 n GLU 40 N 3.14 0.00 -0.99 3.99 0.28 -1.26 -4.37 120.64 121.43 1rk7 n GLU 40 Ca -0.16 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.84 1rk7 n GLU 40 Cb 0.55 -1.25 0.00 0.00 1.43 0.00 0.00 31.44 32.18 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 2.90 0.46 3.92 -1.84 0.00 -1.26 -4.88 105.19 104.48 1rk7 n GLY 41 Ca 0.24 -1.56 -0.27 0.00 0.00 0.00 0.00 46.02 44.43 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 3.97 -0.05 0.99 2.01 -1.26 -1.04 118.68 123.30 1rk7 s LEU 42 Ca 0.00 0.66 -0.23 0.00 0.01 0.00 0.00 54.13 54.57 1rk7 s LEU 42 Cb 0.00 -3.51 0.05 0.00 0.01 0.00 0.00 46.19 42.74 1rk7 s LEU 42 CO 0.00 -0.29 0.50 -1.00 1.01 0.00 0.00 176.35 176.57 1rk7 s HIS 43 N -2.28 -0.44 0.96 0.29 3.76 -1.23 -3.50 115.29 112.85 1rk7 s HIS 43 Ca 0.43 0.79 -0.14 0.00 -0.15 0.00 0.00 55.06 55.99 1rk7 s HIS 43 Cb -0.10 0.25 0.11 0.00 1.11 0.00 0.00 32.58 33.95 1rk7 s HIS 43 CO 0.34 -0.48 0.09 0.41 -0.85 0.00 0.00 174.74 174.25 1rk7 n GLY 44 N 1.28 -2.36 3.82 -2.22 0.00 0.29 -1.43 105.19 104.57 1rk7 n GLY 44 Ca -0.20 -0.66 -0.26 0.00 0.00 0.00 0.00 46.02 44.90 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 -2.08 3.21 1.40 1.61 5.36 -1.26 -4.35 117.98 121.87 1rk7 s PHE 45 Ca 0.34 0.00 -0.21 0.00 -0.96 0.00 0.00 56.93 56.10 1rk7 s PHE 45 Cb -0.05 -1.54 0.36 0.00 -0.34 0.00 0.00 43.02 41.46 1rk7 s PHE 45 CO 0.36 0.52 0.94 -3.38 -1.46 0.00 0.00 175.22 172.20 1rk7 s HIS 46 N -1.76 -0.36 0.01 10.12 -3.43 -0.92 -4.73 115.29 114.23 1rk7 s HIS 46 Ca 0.32 0.68 0.00 0.00 -0.80 0.00 0.00 55.06 55.25 1rk7 s HIS 46 Cb -0.10 -2.90 0.00 0.00 -1.43 0.00 0.00 32.58 28.15 1rk7 s HIS 46 CO 0.24 -4.88 0.00 0.28 -2.00 0.00 0.00 174.74 168.38 1rk7 n VAL 47 N -5.58 -4.74 -3.01 -5.38 0.31 -1.24 -4.74 118.33 93.96 1rk7 n VAL 47 Ca 0.11 0.77 -0.14 0.00 -0.01 0.00 0.00 64.34 65.06 1rk7 n VAL 47 Cb 0.59 -3.57 0.02 0.00 -0.91 0.00 0.00 33.84 29.96 1rk7 n VAL 47 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1rk7 n HIS 48 N 0.44 -0.98 -3.84 3.52 1.44 -1.26 -4.69 115.22 109.85 1rk7 n HIS 48 Ca 0.00 -3.15 -0.03 0.00 -2.01 0.00 0.00 57.72 52.52 1rk7 n HIS 48 Cb 0.00 0.37 0.01 0.00 0.12 0.00 0.00 29.99 30.49 1rk7 n HIS 48 CO 0.00 0.00 0.00 -1.83 -2.81 0.00 0.00 176.34 171.70 1rk7 s GLU 49 N -1.41 1.33 0.00 -1.40 -1.05 -1.26 -4.47 118.70 110.44 1rk7 s GLU 49 Ca 0.33 -0.83 0.00 0.00 -0.15 0.00 0.00 54.97 54.32 1rk7 s GLU 49 Cb 0.33 0.39 0.00 0.00 -0.44 0.00 0.00 34.13 34.41 1rk7 s GLU 49 CO -0.07 -0.62 0.05 0.39 0.95 0.00 0.00 175.26 175.96 1rk7 n GLU 50 N -0.63 0.00 -0.97 -4.83 1.02 -1.14 -3.20 120.64 110.89 1rk7 n GLU 50 Ca -0.04 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.10 1rk7 n GLU 50 Cb 0.60 -0.34 0.00 0.00 -0.02 0.00 0.00 31.44 31.68 1rk7 n GLU 50 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1rk7 n GLU 51 N -0.11 2.84 -3.74 3.49 1.02 -1.26 -4.58 120.64 118.30 1rk7 n GLU 51 Ca 0.00 0.00 -0.24 0.00 -0.02 0.00 0.00 57.16 56.90 1rk7 n GLU 51 Cb 0.00 0.00 -0.17 0.00 -0.02 0.00 0.00 31.44 31.25 1rk7 n GLU 51 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1rk7 s ASP 52 N 0.03 1.91 0.00 1.62 1.01 -1.26 -4.99 116.67 114.98 1rk7 s ASP 52 Ca 0.00 -0.28 0.00 0.00 0.71 0.00 0.00 52.55 52.98 1rk7 s ASP 52 Cb 0.00 -0.42 0.00 0.00 1.01 0.00 0.00 42.92 43.51 1rk7 s ASP 52 CO 0.00 -0.24 0.00 0.59 0.21 0.00 0.00 175.17 175.73 1rk7 n ASN 53 N 5.15 0.00 0.00 0.27 3.02 -1.26 -5.02 115.26 117.42 1rk7 n ASN 53 Ca -0.07 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.48 1rk7 n ASN 53 Cb 0.49 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.66 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 0.00 0.00 0.00 3.41 5.66 -1.26 -5.13 114.28 116.96 1rk7 n THR 54 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1rk7 n THR 54 Cb 0.00 -0.12 0.00 0.00 -1.55 0.00 0.00 70.33 68.66 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 -2.02 0.00 -1.06 1.79 0.00 -1.26 -5.10 120.51 112.86 1rk7 n ALA 55 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1rk7 n ALA 55 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 0.25 3.12 0.00 0.00 -1.26 -4.77 105.19 102.53 1rk7 n GLY 56 Ca 0.00 0.07 -0.33 0.00 0.00 0.00 0.00 46.02 45.76 1rk7 n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rk7 s THR 58 N 1.19 -0.13 -0.84 0.00 -4.23 -1.26 -5.08 115.64 105.30 1rk7 s THR 58 Ca -0.06 -0.31 -0.32 0.00 -1.18 0.00 0.00 61.69 59.82 1rk7 s THR 58 Cb -0.19 -0.70 -0.19 0.00 1.34 0.00 0.00 72.50 72.76 1rk7 s THR 58 CO -0.04 -0.39 2.58 -1.54 -0.54 0.00 0.00 174.62 174.69 1rk7 n SER 59 N 5.28 0.75 0.00 3.99 3.41 -1.26 -4.63 113.62 121.16 1rk7 n SER 59 Ca -0.06 0.13 0.00 0.00 -0.26 0.00 0.00 58.87 58.67 1rk7 n SER 59 Cb 0.47 -1.04 0.00 0.00 -0.26 0.00 0.00 64.21 63.38 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 11.06 2.47 0.00 7.33 0.00 -1.26 -5.12 120.51 134.99 1rk7 n ALA 60 Ca 0.59 0.00 0.00 0.00 0.00 0.00 0.00 53.44 54.03 1rk7 n ALA 60 Cb 0.12 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.57 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 3.29 -0.65 3.66 0.00 0.00 -1.26 -5.13 105.19 105.09 1rk7 n GLY 61 Ca 0.00 0.83 -0.43 0.00 0.00 0.00 0.00 46.02 46.42 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 0.00 4.21 -0.03 1.61 0.04 -1.26 -4.86 135.00 134.71 1rk7 s PRO 62 Ca 0.00 1.65 0.24 0.00 0.04 0.00 0.00 61.00 62.93 1rk7 s PRO 62 Cb 0.00 -3.78 0.43 0.00 0.04 0.00 0.00 34.50 31.19 1rk7 s PRO 62 CO 0.00 -0.74 1.18 0.72 0.04 0.00 0.00 177.00 178.19 1rk7 n HIS 63 N 6.70 0.00 -0.92 0.56 8.25 -1.26 -4.99 115.22 123.55 1rk7 n HIS 63 Ca 0.14 -0.62 0.00 0.00 -0.26 0.00 0.00 57.72 56.98 1rk7 n HIS 63 Cb 0.45 -0.16 0.00 0.00 1.12 0.00 0.00 29.99 31.40 1rk7 n HIS 63 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1rk7 n PHE 64 N 0.30 -0.96 -4.33 4.41 3.01 -1.26 -4.75 117.46 113.87 1rk7 n PHE 64 Ca 0.08 0.00 -0.24 0.00 1.01 0.00 0.00 57.45 58.30 1rk7 n PHE 64 Cb 1.09 0.05 -0.12 0.00 -0.01 0.00 0.00 39.48 40.50 1rk7 n PHE 64 CO 0.00 0.00 0.00 1.21 1.01 0.00 0.00 176.76 178.98 1rk7 s ASN 65 N -4.00 2.78 0.22 4.37 2.47 -1.19 -2.86 114.94 116.72 1rk7 s ASN 65 Ca 0.00 -0.80 0.09 0.00 0.42 0.00 0.00 52.86 52.57 1rk7 s ASN 65 Cb 0.00 -0.17 0.15 0.00 -1.45 0.00 0.00 41.25 39.79 1rk7 s ASN 65 CO 0.00 0.03 1.49 1.55 -3.72 0.00 0.00 177.10 176.45 1rk7 h PRO 66 N 3.55 0.01 -0.80 0.43 0.13 -1.89 -3.21 132.00 130.22 1rk7 h PRO 66 Ca -0.45 -0.01 0.15 0.00 -0.87 0.00 0.00 66.00 64.82 1rk7 h PRO 66 Cb 1.20 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.18 1rk7 h PRO 66 CO 0.46 0.76 -0.28 1.25 -0.23 0.00 0.00 178.00 179.96 1rk7 h LEU 67 N 0.01 -1.03 -0.91 1.56 7.12 -1.94 1.10 115.31 121.22 1rk7 h LEU 67 Ca -0.01 0.26 -0.11 0.00 0.13 0.00 0.00 57.88 58.15 1rk7 h LEU 67 Cb 1.33 0.59 -0.01 0.00 -0.53 0.00 0.00 40.66 42.03 1rk7 h LEU 67 CO 0.10 -0.29 -0.46 0.77 -0.13 0.00 0.00 178.44 178.43 1rk7 h SER 68 N -0.05 0.21 0.00 1.25 4.64 -1.69 -3.40 113.55 114.52 1rk7 h SER 68 Ca 0.34 -0.09 0.00 0.00 -0.47 0.00 0.00 61.79 61.57 1rk7 h SER 68 Cb 0.59 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.62 1rk7 h SER 68 CO -0.84 0.64 0.00 0.54 -0.87 0.00 0.00 176.83 176.30 1rk7 n ARG 69 N -3.99 0.00 -3.67 4.77 1.74 0.38 -2.20 116.66 113.69 1rk7 n ARG 69 Ca -0.02 0.00 -0.07 0.00 -0.77 0.00 0.00 57.85 56.99 1rk7 n ARG 69 Cb 0.51 0.00 -0.02 0.00 -1.02 0.00 0.00 32.46 31.93 1rk7 n ARG 69 CO 0.00 0.00 0.00 -1.59 -1.52 0.00 0.00 177.63 174.52 1rk7 s LYS 70 N 0.00 1.32 0.63 5.56 -2.85 -1.26 -4.81 119.74 118.33 1rk7 s LYS 70 Ca 0.00 -0.65 -0.18 0.00 -1.00 0.00 0.00 55.97 54.14 1rk7 s LYS 70 Cb 0.00 0.50 -0.02 0.00 -2.06 0.00 0.00 37.83 36.25 1rk7 s LYS 70 CO 0.00 -0.60 1.22 -1.58 0.10 0.00 0.00 175.35 174.49 1rk7 s HIS 71 N -3.54 2.29 0.00 1.78 2.46 -1.24 -3.90 115.29 113.14 1rk7 s HIS 71 Ca 0.08 1.53 0.00 0.00 0.47 0.00 0.00 55.06 57.14 1rk7 s HIS 71 Cb -0.03 -3.50 0.00 0.00 -0.13 0.00 0.00 32.58 28.93 1rk7 s HIS 71 CO -0.02 -2.37 0.00 0.41 -2.47 0.00 0.00 174.74 170.29 1rk7 n GLY 72 N 0.49 -0.19 0.00 1.59 0.00 -1.26 -4.94 105.19 100.89 1rk7 n GLY 72 Ca 0.14 0.48 0.00 0.00 0.00 0.00 0.00 46.02 46.64 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 2.29 0.23 -0.02 0.00 0.91 -4.68 105.19 103.92 1rk7 n GLY 73 Ca 0.00 -0.70 0.12 0.00 0.00 0.00 0.00 46.02 45.43 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 0.00 -0.61 1.61 0.13 -1.98 -3.21 132.00 127.94 1rk7 h PRO 74 Ca 0.00 0.00 -0.41 0.00 -0.87 0.00 0.00 66.00 64.72 1rk7 h PRO 74 Cb 0.00 0.00 -0.42 0.00 0.13 0.00 0.00 31.00 30.71 1rk7 h PRO 74 CO 0.00 0.13 -0.95 1.63 -0.23 0.00 0.00 178.00 178.57 1rk7 n LYS 75 N -3.19 2.78 0.00 0.86 5.02 -1.26 -5.00 118.16 117.37 1rk7 n LYS 75 Ca 0.02 -3.88 0.00 0.00 -2.02 0.00 0.00 58.31 52.43 1rk7 n LYS 75 Cb 0.47 -1.98 0.00 0.00 -0.02 0.00 0.00 35.03 33.50 1rk7 n LYS 75 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1rk7 n ASP 76 N -0.66 0.00 -0.20 4.39 -0.08 -1.21 -4.94 116.55 113.84 1rk7 n ASP 76 Ca 0.28 0.00 0.12 0.00 -1.51 0.00 0.00 54.79 53.67 1rk7 n ASP 76 Cb 0.89 0.00 0.15 0.00 2.34 0.00 0.00 41.12 44.50 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 0.00 0.57 0.31 -0.67 2.13 -1.26 -0.06 120.64 121.66 1rk7 n GLU 77 Ca 0.00 -0.41 -0.17 0.00 0.66 0.00 0.00 57.16 57.24 1rk7 n GLU 77 Cb 0.00 -1.49 -0.09 0.00 0.27 0.00 0.00 31.44 30.13 1rk7 n GLU 77 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 1rk7 h GLU 78 N 1.00 -0.95 -5.73 5.31 3.07 -1.88 -3.43 114.58 111.96 1rk7 h GLU 78 Ca 0.00 0.06 -0.62 0.00 -0.50 0.00 0.00 59.36 58.31 1rk7 h GLU 78 Cb 0.57 0.22 0.13 0.00 -0.84 0.00 0.00 28.75 28.82 1rk7 h GLU 78 CO 0.00 -0.63 -0.71 2.89 -1.40 0.00 0.00 179.01 179.16 1rk7 n ARG 79 N -5.28 0.00 0.00 2.33 -4.01 -0.94 -4.29 116.66 104.48 1rk7 n ARG 79 Ca -0.12 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 56.69 1rk7 n ARG 79 Cb 0.44 -0.96 0.00 0.00 -3.04 0.00 0.00 32.46 28.90 1rk7 n ARG 79 CO 0.00 0.00 0.00 0.72 -3.04 0.00 0.00 177.63 175.31 1rk7 n HIS 80 N -0.48 0.00 -3.60 2.89 8.25 -0.96 -4.91 115.22 116.42 1rk7 n HIS 80 Ca 0.14 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.22 1rk7 n HIS 80 Cb 0.31 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.36 1rk7 n HIS 80 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1rk7 s VAL 81 N 0.00 4.57 0.00 1.59 1.01 -1.26 -4.61 120.40 121.69 1rk7 s VAL 81 Ca 0.00 -3.70 0.00 0.00 0.00 0.00 0.00 61.98 58.28 1rk7 s VAL 81 Cb 0.00 -3.83 0.00 0.00 0.00 0.00 0.00 36.38 32.55 1rk7 s VAL 81 CO 0.00 -1.08 0.00 0.61 0.00 0.00 0.00 175.10 174.63 1rk7 n GLY 82 N 2.51 3.34 3.88 4.51 0.00 -1.26 -3.97 105.19 114.20 1rk7 n GLY 82 Ca 0.21 -1.05 -0.37 0.00 0.00 0.00 0.00 46.02 44.81 1rk7 n GLY 82 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1rk7 s ASP 83 N 0.00 6.40 0.00 1.61 1.11 -1.26 -4.73 116.67 119.80 1rk7 s ASP 83 Ca 0.00 0.47 0.00 0.00 0.18 0.00 0.00 52.55 53.20 1rk7 s ASP 83 Cb 0.00 -2.07 0.00 0.00 1.07 0.00 0.00 42.92 41.92 1rk7 s ASP 83 CO 0.00 0.39 0.00 -0.11 1.18 0.00 0.00 175.17 176.63 1rk7 n LEU 84 N 1.84 0.00 0.00 1.23 0.00 -1.26 -2.26 117.00 116.55 1rk7 n LEU 84 Ca -0.19 0.00 -0.03 0.00 0.00 0.00 0.00 56.01 55.79 1rk7 n LEU 84 Cb 0.55 0.23 0.02 0.00 0.00 0.00 0.00 43.42 44.22 1rk7 n LEU 84 CO 0.33 -0.33 0.48 0.61 0.00 0.00 0.00 177.39 178.49 1rk7 n GLY 85 N -0.57 0.99 3.88 -3.96 0.00 -1.26 -4.77 105.19 99.50 1rk7 n GLY 85 Ca 0.00 -1.11 -0.35 0.00 0.00 0.00 0.00 46.02 44.56 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 -2.56 6.50 0.24 1.61 -0.87 -1.26 -4.02 114.94 114.58 1rk7 s ASN 86 Ca 0.14 0.57 0.00 0.00 -1.57 0.00 0.00 52.86 52.00 1rk7 s ASN 86 Cb -0.02 -2.10 0.00 0.00 -0.02 0.00 0.00 41.25 39.11 1rk7 s ASN 86 CO 0.05 0.26 0.00 1.33 -2.57 0.00 0.00 177.10 176.18 1rk7 n VAL 87 N 1.19 0.00 -3.70 1.60 0.24 -0.52 -4.88 118.33 112.26 1rk7 n VAL 87 Ca -0.12 0.00 -0.12 0.00 -2.04 0.00 0.00 64.34 62.06 1rk7 n VAL 87 Cb 0.53 -1.37 -0.09 0.00 -1.47 0.00 0.00 33.84 31.43 1rk7 n VAL 87 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 1rk7 s THR 88 N 0.60 -0.01 0.68 3.34 2.01 -1.26 -3.58 115.64 117.43 1rk7 s THR 88 Ca 0.00 0.02 -0.00 0.00 0.31 0.00 0.00 61.69 62.02 1rk7 s THR 88 Cb 0.00 -0.70 0.10 0.00 0.01 0.00 0.00 72.50 71.91 1rk7 s THR 88 CO 0.00 0.01 0.94 0.00 -0.69 0.00 0.00 174.62 174.88 1rk7 s ALA 89 N 0.69 3.75 0.00 7.40 0.00 -0.21 -4.51 121.76 128.88 1rk7 s ALA 89 Ca -0.03 -1.63 0.00 0.00 0.00 0.00 0.00 51.96 50.30 1rk7 s ALA 89 Cb -0.05 -2.03 0.00 0.00 0.00 0.00 0.00 23.12 21.04 1rk7 s ALA 89 CO -0.05 -1.29 0.00 -3.47 0.00 0.00 0.00 175.76 170.95 1rk7 n ASP 90 N -2.72 0.00 -0.04 0.00 2.03 0.52 -4.51 116.55 111.83 1rk7 n ASP 90 Ca 0.13 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.44 1rk7 n ASP 90 Cb 0.60 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.01 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 0.41 -0.79 -0.67 2.85 -1.26 -4.77 118.16 113.93 1rk7 n LYS 91 Ca 0.00 -0.69 -0.03 0.00 -1.05 0.00 0.00 58.31 56.54 1rk7 n LYS 91 Cb 0.00 -0.58 -0.03 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 -0.08 -0.42 0.00 -5.58 8.00 -1.26 -4.68 116.55 112.53 1rk7 n ASP 92 Ca 0.00 -1.57 0.00 0.00 0.71 0.00 0.00 54.79 53.93 1rk7 n ASP 92 Cb 0.48 0.12 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 0.03 2.67 2.93 0.44 0.00 -1.23 -4.43 105.19 105.61 1rk7 n GLY 93 Ca -0.13 -0.61 -0.33 0.00 0.00 0.00 0.00 46.02 44.95 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 -3.66 1.61 0.31 -1.26 -4.03 118.33 111.30 1rk7 n VAL 94 Ca 0.00 -0.04 -0.38 0.00 -0.01 0.00 0.00 64.34 63.92 1rk7 n VAL 94 Cb 0.00 -0.38 -0.12 0.00 -0.91 0.00 0.00 33.84 32.43 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 6.87 3.35 0.06 3.52 0.00 -1.22 -0.36 121.76 133.98 1rk7 s ALA 95 Ca 1.14 -1.16 0.03 0.00 0.00 0.00 0.00 51.96 51.97 1rk7 s ALA 95 Cb -1.03 -2.31 -0.04 0.00 0.00 0.00 0.00 23.12 19.74 1rk7 s ALA 95 CO 0.42 -0.59 0.03 0.16 0.00 0.00 0.00 175.76 175.78 1rk7 s ASP 96 N 1.68 5.26 0.26 0.00 -4.77 -1.26 0.15 116.67 117.99 1rk7 s ASP 96 Ca 0.06 -0.06 0.11 0.00 -3.30 0.00 0.00 52.55 49.36 1rk7 s ASP 96 Cb -0.16 -1.35 -0.05 0.00 -1.09 0.00 0.00 42.92 40.27 1rk7 s ASP 96 CO 0.07 0.20 -0.19 -0.69 0.70 0.00 0.00 175.17 175.27 1rk7 s VAL 97 N -1.28 2.32 -0.38 2.11 1.01 -0.74 -4.91 120.40 118.52 1rk7 s VAL 97 Ca 0.25 -2.34 -0.03 0.00 0.00 0.00 0.00 61.98 59.87 1rk7 s VAL 97 Cb -0.12 -2.23 0.20 0.00 0.00 0.00 0.00 36.38 34.23 1rk7 s VAL 97 CO 0.17 -0.42 0.95 -0.94 0.00 0.00 0.00 175.10 174.86 1rk7 s SER 98 N -3.41 -0.70 0.18 3.32 1.04 -1.10 -2.80 113.70 110.22 1rk7 s SER 98 Ca 0.28 -0.65 0.08 0.00 0.48 0.00 0.00 55.95 56.13 1rk7 s SER 98 Cb -0.04 0.91 -0.04 0.00 0.10 0.00 0.00 66.02 66.94 1rk7 s SER 98 CO 0.13 -0.04 -0.16 -0.63 0.98 0.00 0.00 173.24 173.51 1rk7 s ILE 99 N 1.31 1.72 -0.28 -1.02 1.01 0.11 -4.98 121.20 119.08 1rk7 s ILE 99 Ca 0.22 -2.02 -0.01 0.00 0.00 0.00 0.00 60.65 58.84 1rk7 s ILE 99 Cb 0.06 -1.89 0.09 0.00 0.01 0.00 0.00 42.46 40.72 1rk7 s ILE 99 CO -0.10 -0.45 0.06 -1.61 0.00 0.00 0.00 174.94 172.84 1rk7 s GLU 100 N -3.15 0.88 -0.32 2.79 2.02 -1.26 -0.27 118.70 119.38 1rk7 s GLU 100 Ca 0.18 -1.00 -0.14 0.00 0.02 0.00 0.00 54.97 54.03 1rk7 s GLU 100 Cb -0.03 -2.18 -0.02 0.00 0.10 0.00 0.00 34.13 32.00 1rk7 s GLU 100 CO 0.06 -0.87 0.29 -0.51 0.02 0.00 0.00 175.26 174.25 1rk7 s ASP 101 N 1.58 6.11 -0.97 -0.19 1.11 -1.24 -4.86 116.67 118.21 1rk7 s ASP 101 Ca 0.06 -0.22 -0.03 0.00 0.18 0.00 0.00 52.55 52.55 1rk7 s ASP 101 Cb -0.18 -2.16 0.27 0.00 1.07 0.00 0.00 42.92 41.93 1rk7 s ASP 101 CO -0.18 -0.24 1.13 -1.54 1.18 0.00 0.00 175.17 175.52 1rk7 n SER 102 N 5.22 5.31 0.00 0.27 3.41 -1.26 -0.66 113.62 125.91 1rk7 n SER 102 Ca -0.11 -3.29 0.00 0.00 -0.26 0.00 0.00 58.87 55.21 1rk7 n SER 102 Cb 0.50 -1.14 0.00 0.00 -0.26 0.00 0.00 64.21 63.31 1rk7 n SER 102 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 1rk7 n VAL 103 N 1.71 0.00 -2.30 -3.33 0.24 -1.26 -4.95 118.33 108.44 1rk7 n VAL 103 Ca 0.25 0.00 -0.25 0.00 -2.04 0.00 0.00 64.34 62.30 1rk7 n VAL 103 Cb 0.36 0.00 0.09 0.00 -1.47 0.00 0.00 33.84 32.82 1rk7 n VAL 103 CO 0.00 0.00 0.00 0.27 -2.14 0.00 0.00 176.83 174.96 1rk7 s ILE 104 N -1.71 2.26 0.27 1.34 -0.00 -1.26 -4.93 121.20 117.16 1rk7 s ILE 104 Ca 0.00 -0.35 -0.12 0.00 -0.00 0.00 0.00 60.65 60.18 1rk7 s ILE 104 Cb 0.00 -2.91 0.00 0.00 -0.00 0.00 0.00 42.46 39.56 1rk7 s ILE 104 CO 0.00 0.00 0.51 -0.55 -0.00 0.00 0.00 174.94 174.90 1rk7 s SER 105 N -4.60 0.03 0.05 4.36 0.15 0.12 -4.67 113.70 109.14 1rk7 s SER 105 Ca 0.63 -0.99 -0.16 0.00 0.70 0.00 0.00 55.95 56.12 1rk7 s SER 105 Cb -0.09 0.62 -0.20 0.00 -1.71 0.00 0.00 66.02 64.65 1rk7 s SER 105 CO 0.45 -1.21 1.21 -0.07 1.20 0.00 0.00 173.24 174.82 1rk7 h LEU 106 N 2.21 0.74 -8.19 3.45 -0.00 -1.88 0.29 115.31 111.92 1rk7 h LEU 106 Ca -0.26 -0.69 -0.13 0.00 -0.00 0.00 0.00 57.88 56.80 1rk7 h LEU 106 Cb 1.25 -0.22 -0.16 0.00 -0.00 0.00 0.00 40.66 41.53 1rk7 h LEU 106 CO 0.35 1.31 -0.68 -0.44 -0.00 0.00 0.00 178.44 178.99 1rk7 s SER 107 N -6.92 0.44 0.00 -0.43 0.01 -1.26 -3.93 113.70 101.61 1rk7 s SER 107 Ca -0.12 -0.91 0.00 0.00 1.31 0.00 0.00 55.95 56.24 1rk7 s SER 107 Cb 0.06 0.19 0.00 0.00 0.21 0.00 0.00 66.02 66.48 1rk7 s SER 107 CO 0.86 -0.55 0.00 0.61 0.41 0.00 0.00 173.24 174.57 1rk7 n GLY 108 N 0.36 1.76 1.46 3.44 0.00 -1.26 -4.79 105.19 106.17 1rk7 n GLY 108 Ca -0.16 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.37 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 0.00 -3.89 1.61 8.00 -1.26 -4.93 116.55 116.08 1rk7 n ASP 109 Ca 0.00 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.08 1rk7 n ASP 109 Cb 0.00 0.04 0.01 0.00 -0.02 0.00 0.00 41.12 41.16 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 -2.23 2.38 -2.04 1.24 8.25 -1.26 -5.02 115.22 116.55 1rk7 n HIS 110 Ca 0.00 -2.56 -0.41 0.00 -0.26 0.00 0.00 57.72 54.49 1rk7 n HIS 110 Cb 0.00 -1.23 -0.02 0.00 1.12 0.00 0.00 29.99 29.85 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 -1.67 6.68 0.01 0.41 1.04 -1.22 -0.70 113.70 118.25 1rk7 s SER 111 Ca 0.33 2.65 0.03 0.00 0.48 0.00 0.00 55.95 59.44 1rk7 s SER 111 Cb 0.09 -2.62 -0.25 0.00 0.10 0.00 0.00 66.02 63.34 1rk7 s SER 111 CO 0.04 -0.67 0.88 0.16 0.98 0.00 0.00 173.24 174.62 1rk7 h ILE 112 N 3.51 1.17 -1.81 -1.02 -0.00 -0.54 -3.47 117.51 115.35 1rk7 h ILE 112 Ca -0.46 -2.89 -0.66 0.00 -0.00 0.00 0.00 64.86 60.85 1rk7 h ILE 112 Cb 1.22 2.68 0.08 0.00 -0.00 0.00 0.00 36.82 40.80 1rk7 h ILE 112 CO 0.76 0.77 0.17 -0.38 -0.00 0.00 0.00 178.15 179.48 1rk7 n ILE 113 N -3.33 0.98 0.00 0.16 5.41 -1.26 -2.94 119.36 118.38 1rk7 n ILE 113 Ca -0.14 -0.25 0.00 0.00 1.00 0.00 0.00 62.75 63.37 1rk7 n ILE 113 Cb 1.02 -0.71 0.00 0.00 -0.71 0.00 0.00 39.64 39.24 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 1.92 1.69 4.00 7.39 0.00 -1.26 -5.02 105.19 113.91 1rk7 n GLY 114 Ca 0.15 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.97 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 0.00 2.40 -0.25 1.61 3.00 -1.15 -4.82 118.95 119.73 1rk7 s ARG 115 Ca 0.00 -1.21 -0.17 0.00 0.00 0.00 0.00 55.73 54.35 1rk7 s ARG 115 Cb 0.00 -2.58 0.07 0.00 0.00 0.00 0.00 34.95 32.44 1rk7 s ARG 115 CO 0.00 -0.77 0.63 -0.08 0.00 0.00 0.00 175.30 175.09 1rk7 s THR 116 N -2.69 -0.00 -0.94 0.02 -1.32 -1.26 -1.44 115.64 108.00 1rk7 s THR 116 Ca 0.60 0.02 -0.10 0.00 -1.21 0.00 0.00 61.69 60.99 1rk7 s THR 116 Cb -0.08 -0.91 -0.07 0.00 -1.51 0.00 0.00 72.50 69.93 1rk7 s THR 116 CO 0.38 0.01 2.12 -0.11 -2.21 0.00 0.00 174.62 174.81 1rk7 n LEU 117 N 3.90 5.04 -4.80 9.08 -0.00 -1.18 -3.65 117.00 125.39 1rk7 n LEU 117 Ca -0.19 -3.02 -0.33 0.00 -0.00 0.00 0.00 56.01 52.47 1rk7 n LEU 117 Cb 0.57 -1.14 -0.00 0.00 -0.00 0.00 0.00 43.42 42.85 1rk7 n LEU 117 CO 0.02 0.51 0.73 -0.69 -0.00 0.00 0.00 177.39 177.95 1rk7 s VAL 118 N 3.68 3.68 0.08 1.96 1.01 -1.26 -4.64 120.40 124.91 1rk7 s VAL 118 Ca 0.45 0.89 0.00 0.00 0.00 0.00 0.00 61.98 63.33 1rk7 s VAL 118 Cb 0.12 -3.37 -0.00 0.00 0.00 0.00 0.00 36.38 33.13 1rk7 s VAL 118 CO -0.00 -0.38 0.01 1.33 0.00 0.00 0.00 175.10 176.06 1rk7 n VAL 119 N -1.68 0.00 -3.94 2.92 0.24 -1.26 -2.15 118.33 112.46 1rk7 n VAL 119 Ca 0.09 -0.44 -0.10 0.00 -2.04 0.00 0.00 64.34 61.85 1rk7 n VAL 119 Cb 0.52 0.13 -0.11 0.00 -1.47 0.00 0.00 33.84 32.91 1rk7 n VAL 119 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 1rk7 s HIS 120 N -1.60 0.17 -0.18 6.34 3.76 -1.26 -4.09 115.29 118.43 1rk7 s HIS 120 Ca 0.02 -0.35 -0.04 0.00 -0.15 0.00 0.00 55.06 54.54 1rk7 s HIS 120 Cb 0.00 -0.13 -0.05 0.00 1.11 0.00 0.00 32.58 33.51 1rk7 s HIS 120 CO 0.01 -0.17 2.85 -1.91 -0.85 0.00 0.00 174.74 174.67 1rk7 n GLU 121 N 1.86 1.91 0.00 1.40 2.13 -1.11 -4.33 120.64 122.50 1rk7 n GLU 121 Ca -0.21 -1.30 0.00 0.00 0.66 0.00 0.00 57.16 56.31 1rk7 n GLU 121 Cb 0.56 -1.80 0.00 0.00 0.27 0.00 0.00 31.44 30.47 1rk7 n GLU 121 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1rk7 n LYS 122 N 1.52 0.00 -3.60 5.31 4.76 -1.26 -4.74 118.16 120.16 1rk7 n LYS 122 Ca 0.35 0.00 -0.20 0.00 -2.87 0.00 0.00 58.31 55.59 1rk7 n LYS 122 Cb 0.69 0.00 -0.01 0.00 -1.84 0.00 0.00 35.03 33.87 1rk7 n LYS 122 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1rk7 s ALA 123 N -2.00 4.10 -0.89 7.82 0.00 -1.23 -0.55 121.76 129.01 1rk7 s ALA 123 Ca 0.00 -1.35 0.28 0.00 0.00 0.00 0.00 51.96 50.89 1rk7 s ALA 123 Cb 0.00 -1.73 1.06 0.00 0.00 0.00 0.00 23.12 22.45 1rk7 s ALA 123 CO 0.00 0.04 1.86 -3.47 0.00 0.00 0.00 175.76 174.19 1rk7 n ASP 124 N -1.60 0.31 -1.63 0.00 -0.08 -1.26 -4.68 116.55 107.61 1rk7 n ASP 124 Ca -0.03 0.53 -0.15 0.00 -1.51 0.00 0.00 54.79 53.63 1rk7 n ASP 124 Cb 0.58 -0.61 -0.02 0.00 2.34 0.00 0.00 41.12 43.40 1rk7 n ASP 124 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 1rk7 n ASP 125 N -1.79 -4.65 -1.45 1.67 -0.08 -1.26 -1.45 116.55 107.53 1rk7 n ASP 125 Ca 0.06 0.06 -0.15 0.00 -1.51 0.00 0.00 54.79 53.25 1rk7 n ASP 125 Cb 0.37 -3.73 -0.07 0.00 2.34 0.00 0.00 41.12 40.03 1rk7 n ASP 125 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 1rk7 n LEU 126 N -2.11 -1.12 0.00 -2.67 4.77 -1.26 -4.23 117.00 110.38 1rk7 n LEU 126 Ca -0.18 0.38 0.00 0.00 -0.03 0.00 0.00 56.01 56.18 1rk7 n LEU 126 Cb 0.61 -2.24 0.00 0.00 -2.33 0.00 0.00 43.42 39.46 1rk7 n LEU 126 CO 0.21 -0.80 0.00 0.61 -1.33 0.00 0.00 177.39 176.09 1rk7 n GLY 127 N -0.29 1.64 0.00 -0.72 0.00 -0.53 -5.06 105.19 100.24 1rk7 n GLY 127 Ca -0.15 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.07 1rk7 n GLY 127 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1rk7 n LYS 128 N 0.59 0.00 0.00 1.61 4.81 -1.16 -4.97 118.16 119.04 1rk7 n LYS 128 Ca 0.00 0.24 0.00 0.00 -0.87 0.00 0.00 58.31 57.68 1rk7 n LYS 128 Cb 0.00 -1.23 0.00 0.00 0.02 0.00 0.00 35.03 33.82 1rk7 n LYS 128 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1rk7 n GLY 129 N -0.74 0.53 0.00 3.14 0.00 -1.26 -5.12 105.19 101.74 1rk7 n GLY 129 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -3.42 2.98 -0.02 0.00 -1.26 -5.03 105.19 98.44 1rk7 n GLY 130 Ca 0.00 -1.15 -0.13 0.00 0.00 0.00 0.00 46.02 44.73 1rk7 n GLY 130 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rk7 s ASN 131 N -2.02 -0.15 0.00 1.61 2.20 -1.26 -4.62 114.94 110.70 1rk7 s ASN 131 Ca 0.00 0.40 0.00 0.00 -0.94 0.00 0.00 52.86 52.32 1rk7 s ASN 131 Cb 0.00 0.29 0.00 0.00 -2.00 0.00 0.00 41.25 39.54 1rk7 s ASN 131 CO 0.00 -0.16 0.00 1.21 -2.94 0.00 0.00 177.10 175.21 1rk7 n GLU 132 N 4.26 0.00 -0.01 3.55 2.13 -1.26 -4.77 120.64 124.54 1rk7 n GLU 132 Ca -0.25 0.00 -0.02 0.00 0.66 0.00 0.00 57.16 57.55 1rk7 n GLU 132 Cb 0.52 -1.05 -0.01 0.00 0.27 0.00 0.00 31.44 31.17 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 0.11 0.19 5.31 3.00 -1.26 -4.54 117.38 118.19 1rk7 n GLN 133 Ca 0.00 0.04 0.07 0.00 -0.01 0.00 0.00 57.00 57.10 1rk7 n GLN 133 Cb 0.00 -0.54 0.30 0.00 0.00 0.00 0.00 30.24 30.00 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 -0.20 0.00 0.56 1.08 4.64 -1.86 0.10 113.55 117.87 1rk7 h SER 134 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1rk7 h SER 134 Cb 0.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.29 1rk7 h SER 134 CO 0.00 0.33 0.00 0.35 -0.87 0.00 0.00 176.83 176.64 1rk7 n THR 135 N -3.36 0.89 -0.01 2.95 -2.24 -1.26 -3.70 114.28 107.55 1rk7 n THR 135 Ca 0.01 0.22 -0.05 0.00 -2.27 0.00 0.00 64.05 61.96 1rk7 n THR 135 Cb 0.54 -0.95 -0.02 0.00 -2.10 0.00 0.00 70.33 67.80 1rk7 n THR 135 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1rk7 n LYS 136 N -1.53 0.15 0.00 -0.78 5.02 -0.99 -3.68 118.16 116.34 1rk7 n LYS 136 Ca 0.04 0.06 0.00 0.00 -2.02 0.00 0.00 58.31 56.39 1rk7 n LYS 136 Cb 0.19 -0.75 0.00 0.00 -0.02 0.00 0.00 35.03 34.45 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 -3.56 0.00 0.00 -0.18 -2.24 0.33 -4.47 114.28 104.16 1rk7 n THR 137 Ca -0.09 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.69 1rk7 n THR 137 Cb 0.36 -0.15 0.00 0.00 -2.10 0.00 0.00 70.33 68.44 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 4.63 0.00 4.36 3.38 0.00 -1.12 -4.77 105.19 111.67 1rk7 n GLY 138 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 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 0.00 -0.35 0.00 1.61 5.15 -1.23 -4.30 115.26 116.14 1rk7 n ASN 139 Ca 0.00 -1.23 0.00 0.00 -0.60 0.00 0.00 54.58 52.75 1rk7 n ASN 139 Cb 0.00 -1.80 0.00 0.00 -0.53 0.00 0.00 39.78 37.45 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 -4.39 0.00 -1.17 5.20 0.00 -1.26 -5.02 120.51 113.87 1rk7 n ALA 140 Ca -0.15 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.02 1rk7 n ALA 140 Cb 0.60 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.91 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 -0.86 -0.39 3.20 0.00 0.00 -1.26 -4.50 105.19 101.38 1rk7 n GLY 141 Ca 0.00 0.55 -0.40 0.00 0.00 0.00 0.00 46.02 46.17 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 4.32 5.68 0.59 1.61 0.15 -1.26 -4.90 113.70 119.90 1rk7 s SER 142 Ca 1.05 -2.04 -0.18 0.00 0.70 0.00 0.00 55.95 55.48 1rk7 s SER 142 Cb -0.86 -1.99 -0.13 0.00 -1.71 0.00 0.00 66.02 61.33 1rk7 s SER 142 CO 0.41 -0.65 -0.00 -1.14 1.20 0.00 0.00 173.24 173.05 1rk7 n ARG 143 N 4.72 0.13 0.00 5.44 0.00 -1.26 -2.75 116.66 122.94 1rk7 n ARG 143 Ca -0.05 0.05 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 1rk7 n ARG 143 Cb 0.41 -1.22 0.00 0.00 0.00 0.00 0.00 32.46 31.64 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 1.92 0.00 -4.50 6.15 4.77 -1.26 -4.85 117.00 119.23 1rk7 n LEU 144 Ca 0.08 0.00 -0.29 0.00 -0.03 0.00 0.00 56.01 55.76 1rk7 n LEU 144 Cb 0.48 0.00 0.25 0.00 -2.33 0.00 0.00 43.42 41.82 1rk7 n LEU 144 CO 0.53 0.00 0.54 0.00 -1.33 0.00 0.00 177.39 177.13 1rk7 s ALA 145 N -1.97 0.03 -0.40 -1.18 0.00 -1.26 -3.94 121.76 113.03 1rk7 s ALA 145 Ca 0.00 -0.65 0.07 0.00 0.00 0.00 0.00 51.96 51.39 1rk7 s ALA 145 Cb 0.00 -3.02 0.24 0.00 0.00 0.00 0.00 23.12 20.34 1rk7 s ALA 145 CO 0.00 -3.82 0.51 0.00 0.00 0.00 0.00 175.76 172.45 1rk7 n GLY 147 N 1.63 2.33 3.74 0.00 0.00 -1.26 -4.73 105.19 106.90 1rk7 n GLY 147 Ca 0.22 -1.01 -0.42 0.00 0.00 0.00 0.00 46.02 44.81 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 4.90 2.13 -0.02 1.61 1.01 -1.26 -3.12 120.40 125.64 1rk7 s VAL 148 Ca 0.50 0.10 -0.30 0.00 0.00 0.00 0.00 61.98 62.28 1rk7 s VAL 148 Cb 0.12 -3.06 -0.03 0.00 0.00 0.00 0.00 36.38 33.40 1rk7 s VAL 148 CO 0.10 0.01 1.11 -0.63 0.00 0.00 0.00 175.10 175.69 1rk7 s ILE 149 N 0.46 4.46 0.04 2.22 1.09 -0.52 -4.29 121.20 124.65 1rk7 s ILE 149 Ca 0.67 1.76 0.03 0.00 -1.10 0.00 0.00 60.65 62.01 1rk7 s ILE 149 Cb -0.48 -4.13 -0.02 0.00 -1.06 0.00 0.00 42.46 36.77 1rk7 s ILE 149 CO 0.41 0.07 -0.09 -0.83 -0.10 0.00 0.00 174.94 174.41 1rk7 s GLY 150 N 1.18 0.53 0.35 6.18 0.00 -0.03 -4.10 107.32 111.42 1rk7 s GLY 150 Ca 0.54 -0.71 -0.24 0.00 0.00 0.00 0.00 44.72 44.31 1rk7 s GLY 150 CO 0.25 -0.74 0.49 1.39 0.00 0.00 0.00 173.10 174.49 1rk7 n ILE 151 N 1.71 1.60 -4.56 0.90 2.08 -1.26 -0.93 119.36 118.90 1rk7 n ILE 151 Ca -0.21 -0.50 -0.26 0.00 0.56 0.00 0.00 62.75 62.35 1rk7 n ILE 151 Cb 0.55 -0.34 -0.10 0.00 -0.75 0.00 0.00 39.64 39.00 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 -1.35 2.94 -2.00 -1.39 0.00 -0.68 -4.61 121.76 114.66 1rk7 s ALA 152 Ca 0.62 -1.82 0.25 0.00 0.00 0.00 0.00 51.96 51.01 1rk7 s ALA 152 Cb -0.70 0.42 1.49 0.00 0.00 0.00 0.00 23.12 24.33 1rk7 s ALA 152 CO 0.59 -0.21 1.85 0.00 0.00 0.00 0.00 175.76 177.99