#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rk7 n THR 2 N 0.00 4.10 -2.88 0.00 -1.04 -1.25 -4.89 114.28 108.31 1rk7 n THR 2 Ca 0.00 -4.39 -0.42 0.00 -2.04 0.00 0.00 64.05 57.21 1rk7 n THR 2 Cb 0.00 -2.42 -0.04 0.00 -1.82 0.00 0.00 70.33 66.05 1rk7 n THR 2 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 1rk7 s LYS 3 N 2.69 4.21 0.32 -2.82 2.20 -1.26 -4.20 119.74 120.89 1rk7 s LYS 3 Ca 0.48 0.97 0.08 0.00 -0.36 0.00 0.00 55.97 57.13 1rk7 s LYS 3 Cb 0.01 -3.63 -0.03 0.00 -1.51 0.00 0.00 37.83 32.67 1rk7 s LYS 3 CO 0.03 -0.48 0.25 0.00 -0.36 0.00 0.00 175.35 174.80 1rk7 s ALA 4 N 2.69 3.75 0.23 3.13 0.00 0.13 -1.67 121.76 130.02 1rk7 s ALA 4 Ca 0.36 -1.65 0.03 0.00 0.00 0.00 0.00 51.96 50.70 1rk7 s ALA 4 Cb -0.16 -1.12 -0.05 0.00 0.00 0.00 0.00 23.12 21.79 1rk7 s ALA 4 CO 0.08 0.05 0.03 0.08 0.00 0.00 0.00 175.76 176.00 1rk7 s VAL 5 N -2.30 0.83 -0.34 0.00 1.01 0.08 0.16 120.40 119.84 1rk7 s VAL 5 Ca 0.39 -2.01 0.05 0.00 0.00 0.00 0.00 61.98 60.42 1rk7 s VAL 5 Cb -0.06 -2.38 0.18 0.00 0.00 0.00 0.00 36.38 34.13 1rk7 s VAL 5 CO 0.26 -0.27 0.53 0.00 0.00 0.00 0.00 175.10 175.62 1rk7 s ALA 6 N -3.56 -1.86 -1.02 5.51 0.00 0.11 -1.20 121.76 119.73 1rk7 s ALA 6 Ca 0.30 0.35 -0.22 0.00 0.00 0.00 0.00 51.96 52.39 1rk7 s ALA 6 Cb 0.06 -2.43 0.06 0.00 0.00 0.00 0.00 23.12 20.81 1rk7 s ALA 6 CO 0.09 -1.97 1.42 0.54 0.00 0.00 0.00 175.76 175.84 1rk7 s VAL 7 N 2.30 4.02 0.52 0.00 0.11 -1.26 -2.34 120.40 123.74 1rk7 s VAL 7 Ca 0.13 -0.89 -0.16 0.00 -2.93 0.00 0.00 61.98 58.13 1rk7 s VAL 7 Cb -0.09 -5.03 -0.13 0.00 -1.53 0.00 0.00 36.38 29.59 1rk7 s VAL 7 CO -0.19 -1.89 -0.21 0.18 -3.33 0.00 0.00 175.10 169.66 1rk7 n LEU 8 N 8.61 -3.61 -3.65 2.54 7.99 -0.88 -4.67 117.00 123.33 1rk7 n LEU 8 Ca 0.32 0.52 0.02 0.00 -0.01 0.00 0.00 56.01 56.87 1rk7 n LEU 8 Cb 0.51 -0.75 -0.06 0.00 -0.11 0.00 0.00 43.42 43.01 1rk7 n LEU 8 CO 0.65 -4.46 1.02 -0.75 -1.51 0.00 0.00 177.39 172.34 1rk7 s LYS 9 N -1.04 0.04 0.00 3.23 2.20 -1.26 -4.46 119.74 118.46 1rk7 s LYS 9 Ca 0.49 0.06 0.00 0.00 -0.36 0.00 0.00 55.97 56.16 1rk7 s LYS 9 Cb -0.40 0.01 0.00 0.00 -1.51 0.00 0.00 37.83 35.93 1rk7 s LYS 9 CO 0.61 -0.01 0.00 0.41 -0.36 0.00 0.00 175.35 176.01 1rk7 n GLY 10 N 3.00 -0.77 0.09 5.54 0.00 -1.23 -1.15 105.19 110.67 1rk7 n GLY 10 Ca -0.17 0.63 -0.03 0.00 0.00 0.00 0.00 46.02 46.45 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 -0.37 0.00 1.61 3.58 -1.58 -3.47 116.42 116.19 1rk7 h ASP 11 Ca 0.00 0.05 0.00 0.00 0.42 0.00 0.00 57.03 57.50 1rk7 h ASP 11 Cb 0.00 0.15 0.00 0.00 1.72 0.00 0.00 39.33 41.20 1rk7 h ASP 11 CO 0.00 -0.07 0.00 0.61 -2.88 0.00 0.00 179.24 176.90 1rk7 n GLY 12 N -1.07 0.58 0.09 -0.78 0.00 -1.26 -4.94 105.19 97.81 1rk7 n GLY 12 Ca -0.01 0.09 0.12 0.00 0.00 0.00 0.00 46.02 46.22 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 0.16 -3.39 1.61 -0.04 -1.26 -4.60 135.00 127.48 1rk7 n PRO 13 Ca 0.00 0.26 -0.40 0.00 -0.04 0.00 0.00 63.50 63.32 1rk7 n PRO 13 Cb 0.00 -1.74 -0.09 0.00 -0.04 0.00 0.00 33.50 31.62 1rk7 n PRO 13 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1rk7 s VAL 14 N -3.15 5.16 -0.41 0.52 0.11 -1.24 -3.23 120.40 118.16 1rk7 s VAL 14 Ca 0.08 0.20 0.09 0.00 -2.93 0.00 0.00 61.98 59.42 1rk7 s VAL 14 Cb 0.12 -3.79 0.32 0.00 -1.53 0.00 0.00 36.38 31.49 1rk7 s VAL 14 CO 0.47 -0.03 0.83 1.67 -3.33 0.00 0.00 175.10 174.71 1rk7 n GLN 15 N 5.39 0.94 -0.35 1.54 7.27 0.41 -4.04 117.38 128.54 1rk7 n GLN 15 Ca -0.09 -2.81 -0.30 0.00 0.07 0.00 0.00 57.00 53.88 1rk7 n GLN 15 Cb 0.50 -1.43 0.28 0.00 2.41 0.00 0.00 30.24 32.00 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 -1.87 1.44 -0.32 1.69 0.00 -1.26 -4.43 107.32 102.57 1rk7 s GLY 16 Ca 0.33 -0.54 -0.01 0.00 0.00 0.00 0.00 44.72 44.50 1rk7 s GLY 16 CO -0.09 0.38 0.20 -0.42 0.00 0.00 0.00 173.10 173.17 1rk7 s ILE 17 N -2.26 -0.07 -0.11 0.90 1.01 0.33 -2.07 121.20 118.93 1rk7 s ILE 17 Ca 0.68 -1.07 -0.02 0.00 0.00 0.00 0.00 60.65 60.24 1rk7 s ILE 17 Cb -0.18 -1.00 -0.03 0.00 0.01 0.00 0.00 42.46 41.26 1rk7 s ILE 17 CO 0.61 -0.77 -0.01 -0.51 0.00 0.00 0.00 174.94 174.26 1rk7 s ILE 18 N 1.72 4.15 0.05 2.92 1.10 -0.99 -1.15 121.20 128.99 1rk7 s ILE 18 Ca 0.13 -0.29 0.05 0.00 -0.51 0.00 0.00 60.65 60.02 1rk7 s ILE 18 Cb -0.18 -2.77 -0.02 0.00 0.15 0.00 0.00 42.46 39.64 1rk7 s ILE 18 CO -0.20 0.56 -0.13 0.54 -2.11 0.00 0.00 174.94 173.60 1rk7 s ASN 19 N -0.44 1.57 0.02 4.50 2.20 -0.23 0.03 114.94 122.59 1rk7 s ASN 19 Ca 0.08 -0.51 0.05 0.00 -0.94 0.00 0.00 52.86 51.54 1rk7 s ASN 19 Cb -0.12 -0.07 -0.03 0.00 -2.00 0.00 0.00 41.25 39.02 1rk7 s ASN 19 CO 0.02 -0.02 -0.13 -0.36 -2.94 0.00 0.00 177.10 173.67 1rk7 s PHE 20 N -1.01 2.70 0.00 1.54 0.40 0.42 -2.41 117.98 119.64 1rk7 s PHE 20 Ca -0.01 -0.16 -0.00 0.00 -0.60 0.00 0.00 56.93 56.16 1rk7 s PHE 20 Cb -0.09 -1.53 -0.01 0.00 0.51 0.00 0.00 43.02 41.91 1rk7 s PHE 20 CO 0.01 0.30 -0.00 -2.00 0.70 0.00 0.00 175.22 174.23 1rk7 s GLU 21 N -1.41 0.11 -0.46 0.44 2.12 -0.86 -0.70 118.70 117.95 1rk7 s GLU 21 Ca 0.16 -0.19 0.07 0.00 0.36 0.00 0.00 54.97 55.36 1rk7 s GLU 21 Cb -0.11 0.04 0.24 0.00 0.26 0.00 0.00 34.13 34.57 1rk7 s GLU 21 CO 0.06 -0.02 0.77 0.94 -0.54 0.00 0.00 175.26 176.47 1rk7 n GLN 22 N 2.58 0.75 -1.12 4.30 -0.06 -1.26 -0.37 117.38 122.20 1rk7 n GLN 22 Ca -0.16 -2.20 -0.16 0.00 -2.00 0.00 0.00 57.00 52.47 1rk7 n GLN 22 Cb 0.58 -1.39 -0.11 0.00 -4.06 0.00 0.00 30.24 25.26 1rk7 n GLN 22 CO 0.00 0.00 0.00 1.63 -0.20 0.00 0.00 177.06 178.49 1rk7 n LYS 23 N 1.59 2.05 -3.66 3.69 5.02 -1.26 0.21 118.16 125.80 1rk7 n LYS 23 Ca 0.13 -1.39 -0.14 0.00 -2.02 0.00 0.00 58.31 54.88 1rk7 n LYS 23 Cb 0.60 -1.96 -0.08 0.00 -0.02 0.00 0.00 35.03 33.57 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 -0.09 0.73 0.08 1.97 0.41 -1.26 -4.74 118.70 115.80 1rk7 s GLU 24 Ca 0.58 0.60 0.27 0.00 -0.41 0.00 0.00 54.97 56.01 1rk7 s GLU 24 Cb 0.31 0.35 0.96 0.00 -1.78 0.00 0.00 34.13 33.97 1rk7 s GLU 24 CO -0.07 -0.13 1.78 0.43 -0.49 0.00 0.00 175.26 176.78 1rk7 n SER 25 N 2.32 0.36 -2.06 -0.19 7.64 -1.26 -3.95 113.62 116.48 1rk7 n SER 25 Ca -0.15 0.42 -0.03 0.00 1.01 0.00 0.00 58.87 60.12 1rk7 n SER 25 Cb 0.56 -0.47 0.05 0.00 -1.01 0.00 0.00 64.21 63.34 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 -1.79 -0.69 -4.75 6.43 2.85 -1.26 -5.13 115.26 110.91 1rk7 n ASN 26 Ca 0.06 -2.10 -0.25 0.00 -0.11 0.00 0.00 54.58 52.17 1rk7 n ASN 26 Cb 0.38 0.32 -0.07 0.00 1.24 0.00 0.00 39.78 41.65 1rk7 n ASN 26 CO 0.00 0.00 0.00 -0.83 -2.11 0.00 0.00 177.26 174.32 1rk7 s GLY 27 N -1.53 2.38 0.44 8.20 0.00 -1.25 -5.08 107.32 110.48 1rk7 s GLY 27 Ca 0.11 -1.93 -0.22 0.00 0.00 0.00 0.00 44.72 42.67 1rk7 s GLY 27 CO -0.08 -1.93 1.05 2.56 0.00 0.00 0.00 173.10 174.69 1rk7 s PRO 28 N -3.94 3.98 -0.90 2.90 0.04 -1.26 -4.80 135.00 131.03 1rk7 s PRO 28 Ca 0.38 1.45 -0.22 0.00 0.04 0.00 0.00 61.00 62.65 1rk7 s PRO 28 Cb 0.03 -2.33 0.08 0.00 0.04 0.00 0.00 34.50 32.33 1rk7 s PRO 28 CO 0.21 -0.29 1.23 0.08 0.04 0.00 0.00 177.00 178.28 1rk7 s VAL 29 N -1.81 4.28 -0.68 -0.36 1.01 -0.44 -4.71 120.40 117.69 1rk7 s VAL 29 Ca 0.62 -0.90 -0.27 0.00 0.00 0.00 0.00 61.98 61.43 1rk7 s VAL 29 Cb -0.19 -4.88 -0.13 0.00 0.00 0.00 0.00 36.38 31.18 1rk7 s VAL 29 CO 0.24 -1.69 2.48 0.29 0.00 0.00 0.00 175.10 176.43 1rk7 n LYS 30 N 7.84 0.67 -3.80 2.72 5.02 0.50 -4.40 118.16 126.71 1rk7 n LYS 30 Ca 0.21 -0.09 -0.36 0.00 -2.02 0.00 0.00 58.31 56.05 1rk7 n LYS 30 Cb 0.49 -2.85 -0.11 0.00 -0.02 0.00 0.00 35.03 32.55 1rk7 n LYS 30 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1rk7 s VAL 31 N 11.13 4.86 -0.10 -0.18 1.01 -1.05 -2.03 120.40 134.04 1rk7 s VAL 31 Ca 1.09 0.01 -0.11 0.00 0.00 0.00 0.00 61.98 62.97 1rk7 s VAL 31 Cb -0.49 -3.25 0.03 0.00 0.00 0.00 0.00 36.38 32.67 1rk7 s VAL 31 CO 0.32 0.37 0.31 -1.66 0.00 0.00 0.00 175.10 174.44 1rk7 s TRP 32 N 1.08 -0.32 0.18 5.22 -2.14 -1.01 -1.72 118.94 120.23 1rk7 s TRP 32 Ca 0.05 0.76 -0.04 0.00 2.66 0.00 0.00 56.10 59.53 1rk7 s TRP 32 Cb -0.14 0.11 0.01 0.00 -3.10 0.00 0.00 33.47 30.36 1rk7 s TRP 32 CO 0.04 -0.19 0.30 0.41 -2.66 0.00 0.00 176.95 174.84 1rk7 n GLY 33 N 2.69 2.13 3.43 3.67 0.00 -0.95 -1.07 105.19 115.09 1rk7 n GLY 33 Ca -0.14 -1.33 -0.06 0.00 0.00 0.00 0.00 46.02 44.50 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 -2.01 -0.65 0.55 1.61 0.15 -0.30 -1.08 113.70 111.96 1rk7 s SER 34 Ca 0.11 1.24 -0.08 0.00 0.70 0.00 0.00 55.95 57.93 1rk7 s SER 34 Cb -0.01 1.71 -0.03 0.00 -1.71 0.00 0.00 66.02 65.97 1rk7 s SER 34 CO 0.08 -0.23 0.90 -0.63 1.20 0.00 0.00 173.24 174.57 1rk7 s ILE 35 N 2.63 4.69 -0.29 6.45 1.09 0.30 0.12 121.20 136.20 1rk7 s ILE 35 Ca -0.04 0.47 0.02 0.00 -1.10 0.00 0.00 60.65 60.00 1rk7 s ILE 35 Cb -0.12 -3.82 0.18 0.00 -1.06 0.00 0.00 42.46 37.64 1rk7 s ILE 35 CO -0.16 -0.94 0.52 -0.54 -0.10 0.00 0.00 174.94 173.73 1rk7 s LYS 36 N -4.96 0.50 0.00 2.79 1.02 -1.26 -3.09 119.74 114.74 1rk7 s LYS 36 Ca 0.51 0.54 0.00 0.00 0.02 0.00 0.00 55.97 57.04 1rk7 s LYS 36 Cb -0.11 0.08 0.00 0.00 -0.52 0.00 0.00 37.83 37.28 1rk7 s LYS 36 CO 0.49 -0.89 0.00 0.41 -0.92 0.00 0.00 175.35 174.43 1rk7 n GLY 37 N 5.40 0.34 0.00 -3.33 0.00 -1.20 -0.45 105.19 105.95 1rk7 n GLY 37 Ca 0.01 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.20 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 -3.75 0.99 4.32 -1.26 -4.82 117.00 112.47 1rk7 n LEU 38 Ca 0.00 0.00 -0.12 0.00 -0.02 0.00 0.00 56.01 55.87 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 -0.31 0.03 0.42 -1.22 0.00 0.00 177.39 176.31 1rk7 s THR 39 N 0.00 0.08 -0.49 -5.08 -4.23 -1.26 -3.79 115.64 100.87 1rk7 s THR 39 Ca 0.00 -0.64 -0.45 0.00 -1.18 0.00 0.00 61.69 59.41 1rk7 s THR 39 Cb 0.00 -0.89 -0.19 0.00 1.34 0.00 0.00 72.50 72.76 1rk7 s THR 39 CO 0.00 -0.35 1.83 1.21 -0.54 0.00 0.00 174.62 176.77 1rk7 n GLU 40 N 0.69 0.05 0.00 3.99 2.13 -1.26 -3.97 120.64 122.27 1rk7 n GLU 40 Ca -0.19 0.02 0.00 0.00 0.66 0.00 0.00 57.16 57.64 1rk7 n GLU 40 Cb 0.59 -1.53 0.00 0.00 0.27 0.00 0.00 31.44 30.77 1rk7 n GLU 40 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1rk7 n GLY 41 N 5.48 -0.49 3.89 8.31 0.00 -1.26 -4.86 105.19 116.26 1rk7 n GLY 41 Ca 0.41 -0.74 -0.20 0.00 0.00 0.00 0.00 46.02 45.48 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 3.61 0.09 0.99 2.01 -1.26 -2.07 118.68 122.04 1rk7 s LEU 42 Ca 0.00 -0.50 -0.03 0.00 0.01 0.00 0.00 54.13 53.61 1rk7 s LEU 42 Cb 0.00 -2.29 -0.03 0.00 0.01 0.00 0.00 46.19 43.88 1rk7 s LEU 42 CO 0.00 -0.47 0.05 -1.00 1.01 0.00 0.00 176.35 175.94 1rk7 s HIS 43 N -2.33 0.53 0.00 0.29 3.76 0.17 -3.10 115.29 114.60 1rk7 s HIS 43 Ca 0.44 -1.00 0.00 0.00 -0.15 0.00 0.00 55.06 54.36 1rk7 s HIS 43 Cb -0.06 -0.33 0.00 0.00 1.11 0.00 0.00 32.58 33.30 1rk7 s HIS 43 CO 0.28 -0.47 0.00 0.41 -0.85 0.00 0.00 174.74 174.11 1rk7 n GLY 44 N 0.01 -1.30 0.00 -2.22 0.00 -1.24 -2.55 105.19 97.89 1rk7 n GLY 44 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.90 1rk7 n GLY 44 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1rk7 n PHE 45 N 0.00 0.00 -2.33 1.61 7.35 -1.26 -3.97 117.46 118.85 1rk7 n PHE 45 Ca 0.00 0.00 -0.26 0.00 -0.76 0.00 0.00 57.45 56.43 1rk7 n PHE 45 Cb 0.00 0.00 0.12 0.00 0.35 0.00 0.00 39.48 39.95 1rk7 n PHE 45 CO 0.00 0.00 0.00 -1.01 -0.76 0.00 0.00 176.76 174.99 1rk7 s HIS 46 N -2.00 1.88 0.11 -5.13 3.76 -0.97 -4.26 115.29 108.69 1rk7 s HIS 46 Ca 0.00 0.03 0.00 0.00 -0.15 0.00 0.00 55.06 54.94 1rk7 s HIS 46 Cb 0.00 -3.34 0.00 0.00 1.11 0.00 0.00 32.58 30.35 1rk7 s HIS 46 CO 0.00 -1.89 0.00 0.28 -0.85 0.00 0.00 174.74 172.28 1rk7 n VAL 47 N -3.09 -2.68 -3.46 -0.90 0.31 -1.20 -4.86 118.33 102.45 1rk7 n VAL 47 Ca 0.13 0.82 0.01 0.00 -0.01 0.00 0.00 64.34 65.30 1rk7 n VAL 47 Cb 0.60 -1.85 -0.03 0.00 -0.91 0.00 0.00 33.84 31.65 1rk7 n VAL 47 CO 0.00 0.00 0.00 -1.38 -1.32 0.00 0.00 176.83 174.13 1rk7 s HIS 48 N -1.21 -1.33 0.24 3.52 -3.43 -1.26 -4.81 115.29 107.00 1rk7 s HIS 48 Ca 0.00 1.97 0.00 0.00 -0.80 0.00 0.00 55.06 56.23 1rk7 s HIS 48 Cb 0.00 0.67 0.00 0.00 -1.43 0.00 0.00 32.58 31.82 1rk7 s HIS 48 CO 0.00 -0.69 0.00 -1.91 -2.00 0.00 0.00 174.74 170.14 1rk7 n GLU 49 N 5.40 -1.70 -2.38 -0.38 2.13 -1.22 -4.82 120.64 117.66 1rk7 n GLU 49 Ca -0.08 1.32 -0.42 0.00 0.66 0.00 0.00 57.16 58.63 1rk7 n GLU 49 Cb 0.50 -1.63 -0.03 0.00 0.27 0.00 0.00 31.44 30.56 1rk7 n GLU 49 CO 0.00 0.00 0.00 -2.00 -0.41 0.00 0.00 177.13 174.72 1rk7 s GLU 50 N -4.63 4.29 0.53 5.31 2.12 -1.26 -4.74 118.70 120.32 1rk7 s GLU 50 Ca 0.00 1.75 0.00 0.00 0.36 0.00 0.00 54.97 57.08 1rk7 s GLU 50 Cb 0.00 -3.65 0.00 0.00 0.26 0.00 0.00 34.13 30.74 1rk7 s GLU 50 CO 0.00 -0.57 0.00 -1.91 -0.54 0.00 0.00 175.26 172.24 1rk7 n GLU 51 N 5.77 -0.26 -3.60 4.30 4.07 -1.26 -5.02 120.64 124.65 1rk7 n GLU 51 Ca 0.13 0.17 -0.14 0.00 -0.06 0.00 0.00 57.16 57.26 1rk7 n GLU 51 Cb 0.45 -0.31 -0.06 0.00 -0.06 0.00 0.00 31.44 31.45 1rk7 n GLU 51 CO 0.00 0.00 0.00 0.34 -0.06 0.00 0.00 177.13 177.41 1rk7 s ASP 52 N -3.32 -0.61 -0.16 4.31 2.15 -1.26 -4.94 116.67 112.83 1rk7 s ASP 52 Ca 0.00 0.98 0.06 0.00 0.43 0.00 0.00 52.55 54.02 1rk7 s ASP 52 Cb 0.00 0.93 0.19 0.00 -0.30 0.00 0.00 42.92 43.74 1rk7 s ASP 52 CO 0.00 -0.34 1.00 0.59 -0.17 0.00 0.00 175.17 176.26 1rk7 n ASN 53 N 1.84 -0.78 0.03 -0.34 3.02 -1.26 -5.00 115.26 112.77 1rk7 n ASN 53 Ca -0.14 -1.59 0.00 0.00 -0.03 0.00 0.00 54.58 52.81 1rk7 n ASN 53 Cb 0.56 0.35 0.00 0.00 -0.61 0.00 0.00 39.78 40.08 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 -0.74 0.29 0.00 3.41 5.66 -1.26 -5.02 114.28 116.63 1rk7 n THR 54 Ca -0.11 0.10 0.00 0.00 -3.05 0.00 0.00 64.05 60.99 1rk7 n THR 54 Cb 0.68 -1.19 0.00 0.00 -1.55 0.00 0.00 70.33 68.27 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 -3.07 0.00 0.10 1.79 0.00 -1.26 -4.25 120.51 113.82 1rk7 n ALA 55 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 1rk7 n ALA 55 Cb 0.22 0.00 0.27 0.00 0.00 0.00 0.00 19.45 19.93 1rk7 n ALA 55 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1rk7 h GLY 56 N 0.00 0.26 -3.27 0.00 0.00 -1.95 -3.44 103.07 94.66 1rk7 h GLY 56 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 47.33 47.11 1rk7 h GLY 56 CO 0.00 0.20 -0.76 0.00 0.00 0.00 0.00 176.54 175.98 1rk7 n THR 58 N 0.38 0.00 -3.82 0.00 -2.24 -1.26 -5.09 114.28 102.25 1rk7 n THR 58 Ca 0.00 0.00 -0.28 0.00 -2.27 0.00 0.00 64.05 61.50 1rk7 n THR 58 Cb 0.00 0.00 -0.12 0.00 -2.10 0.00 0.00 70.33 68.11 1rk7 n THR 58 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1rk7 s SER 59 N 0.94 4.18 -0.03 3.42 1.04 -1.26 -4.90 113.70 117.10 1rk7 s SER 59 Ca 0.00 -3.56 -0.03 0.00 0.48 0.00 0.00 55.95 52.84 1rk7 s SER 59 Cb 0.00 -1.42 -0.01 0.00 0.10 0.00 0.00 66.02 64.69 1rk7 s SER 59 CO 0.00 -0.13 -0.06 0.00 0.98 0.00 0.00 173.24 174.04 1rk7 n ALA 60 N 2.34 0.69 0.00 5.32 0.00 -1.26 -5.06 120.51 122.55 1rk7 n ALA 60 Ca 0.19 -0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1rk7 n ALA 60 Cb 0.37 0.01 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 1.86 -1.70 3.61 0.00 0.00 -1.26 -5.12 105.19 102.57 1rk7 n GLY 61 Ca -0.02 1.02 -0.43 0.00 0.00 0.00 0.00 46.02 46.59 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 3.64 -0.33 1.61 0.04 -1.26 -4.78 135.00 133.91 1rk7 s PRO 62 Ca 0.00 1.01 0.14 0.00 0.04 0.00 0.00 61.00 62.20 1rk7 s PRO 62 Cb 0.00 -4.00 0.43 0.00 0.04 0.00 0.00 34.50 30.97 1rk7 s PRO 62 CO 0.00 -1.48 1.40 -2.39 0.04 0.00 0.00 177.00 174.57 1rk7 n HIS 63 N 8.59 -1.35 -0.89 0.56 1.44 -1.26 -4.91 115.22 117.41 1rk7 n HIS 63 Ca 0.16 -1.90 0.00 0.00 -2.01 0.00 0.00 57.72 53.98 1rk7 n HIS 63 Cb 0.48 1.13 0.00 0.00 0.12 0.00 0.00 29.99 31.72 1rk7 n HIS 63 CO 0.00 0.00 0.00 1.19 -2.81 0.00 0.00 176.34 174.72 1rk7 n PHE 64 N -1.12 -0.48 -2.85 -1.40 3.72 -1.26 -4.67 117.46 109.40 1rk7 n PHE 64 Ca -0.09 0.00 -0.29 0.00 -0.05 0.00 0.00 57.45 57.02 1rk7 n PHE 64 Cb 0.86 0.04 -0.02 0.00 -0.94 0.00 0.00 39.48 39.42 1rk7 n PHE 64 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 176.76 175.91 1rk7 s ASN 65 N -4.00 6.43 -1.21 4.37 0.01 -1.26 -3.41 114.94 115.87 1rk7 s ASN 65 Ca 0.00 1.01 -0.09 0.00 -0.71 0.00 0.00 52.86 53.07 1rk7 s ASN 65 Cb 0.00 -2.27 -0.07 0.00 0.41 0.00 0.00 41.25 39.32 1rk7 s ASN 65 CO 0.00 -0.43 2.43 -0.81 -1.51 0.00 0.00 177.10 176.78 1rk7 n PRO 66 N -1.57 2.70 0.00 -0.60 -0.04 -1.26 -3.04 135.00 131.19 1rk7 n PRO 66 Ca 0.01 -1.83 0.00 0.00 -0.04 0.00 0.00 63.50 61.65 1rk7 n PRO 66 Cb 0.54 -2.66 0.00 0.00 -0.04 0.00 0.00 33.50 31.34 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 4.30 0.00 0.24 1.53 0.00 -1.26 -4.84 117.00 116.97 1rk7 n LEU 67 Ca 0.58 0.00 0.16 0.00 0.00 0.00 0.00 56.01 56.76 1rk7 n LEU 67 Cb 0.20 0.09 0.80 0.00 0.00 0.00 0.00 43.42 44.51 1rk7 n LEU 67 CO 0.80 -0.23 0.99 0.77 0.00 0.00 0.00 177.39 179.72 1rk7 h SER 68 N 0.00 0.00 0.00 1.96 4.64 -1.87 -3.42 113.55 114.86 1rk7 h SER 68 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1rk7 h SER 68 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1rk7 h SER 68 CO 0.00 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 176.50 1rk7 n ARG 69 N -2.71 0.00 -3.94 4.77 1.74 -1.26 -3.29 116.66 111.97 1rk7 n ARG 69 Ca -0.01 0.00 -0.09 0.00 -0.77 0.00 0.00 57.85 56.98 1rk7 n ARG 69 Cb 0.14 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 31.55 1rk7 n ARG 69 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1rk7 s LYS 70 N 0.00 1.73 1.26 5.56 1.02 -1.26 -5.06 119.74 122.99 1rk7 s LYS 70 Ca 0.00 -1.23 -0.17 0.00 0.02 0.00 0.00 55.97 54.59 1rk7 s LYS 70 Cb 0.00 0.53 0.29 0.00 -0.52 0.00 0.00 37.83 38.13 1rk7 s LYS 70 CO 0.00 -0.76 0.78 -2.39 -0.92 0.00 0.00 175.35 172.06 1rk7 n HIS 71 N -0.44 -2.17 0.00 3.18 1.44 -0.68 -3.66 115.22 112.89 1rk7 n HIS 71 Ca -0.03 -0.32 0.00 0.00 -2.01 0.00 0.00 57.72 55.36 1rk7 n HIS 71 Cb 0.61 -1.54 0.00 0.00 0.12 0.00 0.00 29.99 29.17 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 1.54 -0.80 0.00 -1.39 0.00 -1.26 -4.61 105.19 98.67 1rk7 n GLY 72 Ca 0.05 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.78 1rk7 n GLY 72 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rk7 n GLY 73 N 0.00 0.55 0.04 -0.02 0.00 -1.26 -4.69 105.19 99.80 1rk7 n GLY 73 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.07 0.00 1.61 0.13 -1.86 -3.28 132.00 128.53 1rk7 h PRO 74 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1rk7 h PRO 74 Cb 0.00 0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.15 1rk7 h PRO 74 CO 0.00 -0.05 0.00 0.36 -0.23 0.00 0.00 178.00 178.08 1rk7 n LYS 75 N -2.63 0.00 0.00 0.86 2.85 -1.25 -2.73 118.16 115.26 1rk7 n LYS 75 Ca -0.01 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.25 1rk7 n LYS 75 Cb 0.03 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.41 1rk7 n LYS 75 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1rk7 n ASP 76 N 0.00 0.00 -0.84 -5.58 8.00 -1.26 -4.86 116.55 112.01 1rk7 n ASP 76 Ca 0.00 0.00 0.12 0.00 0.71 0.00 0.00 54.79 55.62 1rk7 n ASP 76 Cb 0.00 0.07 0.08 0.00 -0.02 0.00 0.00 41.12 41.24 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 -2.45 2.05 -3.65 -1.24 2.13 -1.26 -5.03 120.64 111.19 1rk7 n GLU 77 Ca 0.00 -1.69 0.00 0.00 0.66 0.00 0.00 57.16 56.13 1rk7 n GLU 77 Cb 0.00 -1.46 0.00 0.00 0.27 0.00 0.00 31.44 30.25 1rk7 n GLU 77 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 1rk7 n GLU 78 N 1.00 -2.62 -3.12 5.31 1.02 -1.26 -4.96 120.64 116.01 1rk7 n GLU 78 Ca 0.13 0.00 -0.02 0.00 -0.02 0.00 0.00 57.16 57.25 1rk7 n GLU 78 Cb 0.57 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.99 1rk7 n GLU 78 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1rk7 n ARG 79 N -0.31 -1.35 -0.24 3.49 1.74 -1.21 -3.91 116.66 114.88 1rk7 n ARG 79 Ca 0.00 1.43 0.06 0.00 -0.77 0.00 0.00 57.85 58.58 1rk7 n ARG 79 Cb 0.00 -5.51 0.17 0.00 -1.02 0.00 0.00 32.46 26.10 1rk7 n ARG 79 CO 0.00 0.00 0.00 1.58 -1.52 0.00 0.00 177.63 177.69 1rk7 n HIS 80 N -1.86 0.56 -0.12 -1.55 -0.00 -1.26 -3.26 115.22 107.73 1rk7 n HIS 80 Ca -0.03 -0.61 -0.22 0.00 0.46 0.00 0.00 57.72 57.32 1rk7 n HIS 80 Cb 0.52 -0.11 -0.09 0.00 -0.12 0.00 0.00 29.99 30.18 1rk7 n HIS 80 CO 0.00 0.00 0.00 1.55 0.46 0.00 0.00 176.34 178.35 1rk7 n VAL 81 N 0.14 1.32 -0.06 3.57 3.14 -1.26 -4.79 118.33 120.38 1rk7 n VAL 81 Ca 0.14 -0.40 -0.09 0.00 -2.96 0.00 0.00 64.34 61.03 1rk7 n VAL 81 Cb 0.55 -1.63 -0.06 0.00 -1.06 0.00 0.00 33.84 31.64 1rk7 n VAL 81 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1rk7 n GLY 82 N 1.84 -0.21 7.00 7.55 0.00 -1.26 -5.04 105.19 115.07 1rk7 n GLY 82 Ca -0.45 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.48 1rk7 n GLY 82 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1rk7 n ASP 83 N -2.84 -2.66 0.00 1.61 8.00 -1.20 -4.86 116.55 114.60 1rk7 n ASP 83 Ca -0.23 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.27 1rk7 n ASP 83 Cb 0.75 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.85 1rk7 n ASP 83 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 1rk7 n LEU 84 N 0.00 0.00 0.00 0.64 -0.00 -1.10 -4.89 117.00 111.64 1rk7 n LEU 84 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 1rk7 n LEU 84 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 1rk7 n LEU 84 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 177.39 178.00 1rk7 n GLY 85 N 0.00 0.53 4.02 -3.96 0.00 -1.24 -4.46 105.19 100.08 1rk7 n GLY 85 Ca 0.00 -1.33 -0.19 0.00 0.00 0.00 0.00 46.02 44.50 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 -4.00 5.35 0.25 1.61 0.01 -1.26 -4.45 114.94 112.46 1rk7 s ASN 86 Ca 0.00 -0.65 0.11 0.00 -0.71 0.00 0.00 52.86 51.60 1rk7 s ASN 86 Cb 0.00 -0.18 -0.05 0.00 0.41 0.00 0.00 41.25 41.44 1rk7 s ASN 86 CO 0.00 -1.04 -0.11 -0.69 -1.51 0.00 0.00 177.10 173.75 1rk7 s VAL 87 N -2.51 2.93 0.07 1.60 1.01 -1.06 -4.89 120.40 117.55 1rk7 s VAL 87 Ca 0.58 -2.09 0.09 0.00 0.00 0.00 0.00 61.98 60.55 1rk7 s VAL 87 Cb -0.08 -2.53 -0.03 0.00 0.00 0.00 0.00 36.38 33.74 1rk7 s VAL 87 CO 0.35 -0.33 -0.25 -0.89 0.00 0.00 0.00 175.10 173.98 1rk7 s THR 88 N -2.27 2.03 0.51 3.92 2.01 -1.26 -0.66 115.64 119.93 1rk7 s THR 88 Ca 0.29 -1.46 0.09 0.00 0.31 0.00 0.00 61.69 60.92 1rk7 s THR 88 Cb -0.06 -1.77 0.05 0.00 0.01 0.00 0.00 72.50 70.73 1rk7 s THR 88 CO 0.16 0.22 0.68 0.00 -0.69 0.00 0.00 174.62 174.99 1rk7 s ALA 89 N -0.90 4.61 0.00 7.40 0.00 -0.88 -4.56 121.76 127.43 1rk7 s ALA 89 Ca 0.11 -1.92 0.00 0.00 0.00 0.00 0.00 51.96 50.15 1rk7 s ALA 89 Cb -0.10 -1.49 0.00 0.00 0.00 0.00 0.00 23.12 21.53 1rk7 s ALA 89 CO 0.03 -0.59 0.00 -3.47 0.00 0.00 0.00 175.76 171.73 1rk7 n ASP 90 N -2.05 0.00 -0.09 0.00 2.03 0.37 -4.59 116.55 112.23 1rk7 n ASP 90 Ca 0.12 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.43 1rk7 n ASP 90 Cb 0.61 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 0.36 -0.92 -0.67 2.85 -1.26 -4.75 118.16 113.76 1rk7 n LYS 91 Ca 0.00 -0.76 -0.06 0.00 -1.05 0.00 0.00 58.31 56.45 1rk7 n LYS 91 Cb 0.00 -0.58 -0.06 0.00 -0.65 0.00 0.00 35.03 33.74 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 -0.09 -0.78 0.00 -5.58 2.03 -1.26 -4.58 116.55 106.29 1rk7 n ASP 92 Ca 0.00 -1.82 0.00 0.00 0.52 0.00 0.00 54.79 53.49 1rk7 n ASP 92 Cb 0.51 0.23 0.00 0.00 -0.72 0.00 0.00 41.12 41.15 1rk7 n ASP 92 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1rk7 n GLY 93 N 0.01 2.39 3.34 0.27 0.00 -1.25 -4.16 105.19 105.79 1rk7 n GLY 93 Ca -0.22 -0.57 -0.61 0.00 0.00 0.00 0.00 46.02 44.61 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 -3.91 1.61 0.31 -1.26 -4.00 118.33 111.09 1rk7 n VAL 94 Ca 0.00 0.00 -0.35 0.00 -0.01 0.00 0.00 64.34 63.98 1rk7 n VAL 94 Cb 0.00 -0.50 -0.14 0.00 -0.91 0.00 0.00 33.84 32.29 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 5.30 2.80 0.06 3.52 0.00 -1.18 0.14 121.76 132.40 1rk7 s ALA 95 Ca 1.16 -1.34 0.01 0.00 0.00 0.00 0.00 51.96 51.79 1rk7 s ALA 95 Cb -1.49 -1.77 -0.04 0.00 0.00 0.00 0.00 23.12 19.82 1rk7 s ALA 95 CO 0.69 -0.67 0.14 0.16 0.00 0.00 0.00 175.76 176.08 1rk7 s ASP 96 N 1.42 5.95 0.12 0.00 -4.77 -1.26 0.11 116.67 118.24 1rk7 s ASP 96 Ca 0.03 0.15 0.05 0.00 -3.30 0.00 0.00 52.55 49.48 1rk7 s ASP 96 Cb -0.16 -1.74 -0.04 0.00 -1.09 0.00 0.00 42.92 39.90 1rk7 s ASP 96 CO -0.03 0.19 -0.12 -0.69 0.70 0.00 0.00 175.17 175.22 1rk7 s VAL 97 N -1.41 1.17 -0.31 2.11 1.01 -0.24 -4.92 120.40 117.80 1rk7 s VAL 97 Ca 0.31 -1.77 -0.09 0.00 0.00 0.00 0.00 61.98 60.43 1rk7 s VAL 97 Cb -0.13 -1.55 0.19 0.00 0.00 0.00 0.00 36.38 34.89 1rk7 s VAL 97 CO 0.23 -0.54 1.01 -0.55 0.00 0.00 0.00 175.10 175.25 1rk7 s SER 98 N -2.62 -0.48 0.23 3.32 0.15 -1.22 -2.24 113.70 110.83 1rk7 s SER 98 Ca 0.10 -0.06 0.03 0.00 0.70 0.00 0.00 55.95 56.72 1rk7 s SER 98 Cb -0.03 1.03 -0.05 0.00 -1.71 0.00 0.00 66.02 65.26 1rk7 s SER 98 CO 0.02 -0.07 0.00 -0.63 1.20 0.00 0.00 173.24 173.75 1rk7 s ILE 99 N 2.56 0.98 -0.42 6.45 1.09 -0.70 -5.01 121.20 126.15 1rk7 s ILE 99 Ca 0.22 -2.03 0.02 0.00 -1.10 0.00 0.00 60.65 57.76 1rk7 s ILE 99 Cb -0.01 -2.35 0.13 0.00 -1.06 0.00 0.00 42.46 39.18 1rk7 s ILE 99 CO -0.20 -0.31 0.22 -1.83 -0.10 0.00 0.00 174.94 172.72 1rk7 s GLU 100 N -3.88 1.21 -0.21 2.79 -1.05 -1.26 -2.53 118.70 113.77 1rk7 s GLU 100 Ca 0.29 -1.90 -0.13 0.00 -0.15 0.00 0.00 54.97 53.08 1rk7 s GLU 100 Cb 0.06 -2.27 -0.04 0.00 -0.44 0.00 0.00 34.13 31.43 1rk7 s GLU 100 CO 0.09 -1.15 0.29 -0.51 0.95 0.00 0.00 175.26 174.93 1rk7 s ASP 101 N 0.50 6.31 -0.17 0.83 1.01 -1.26 -4.91 116.67 118.98 1rk7 s ASP 101 Ca 0.17 0.35 0.17 0.00 0.71 0.00 0.00 52.55 53.95 1rk7 s ASP 101 Cb -0.24 -2.17 -0.23 0.00 1.01 0.00 0.00 42.92 41.28 1rk7 s ASP 101 CO -0.01 0.00 0.09 -1.54 0.21 0.00 0.00 175.17 173.92 1rk7 n SER 102 N 4.27 0.47 0.01 0.27 3.41 -1.26 -1.33 113.62 119.47 1rk7 n SER 102 Ca -0.11 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.39 1rk7 n SER 102 Cb 0.52 1.02 -0.05 0.00 -0.26 0.00 0.00 64.21 65.44 1rk7 n SER 102 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 1rk7 h VAL 103 N 0.00 0.85 -4.41 -3.33 2.07 -1.93 -3.43 116.25 106.07 1rk7 h VAL 103 Ca -0.46 0.00 -0.47 0.00 0.82 0.00 0.00 66.70 66.59 1rk7 h VAL 103 Cb 2.05 0.85 0.11 0.00 -1.52 0.00 0.00 31.29 32.78 1rk7 h VAL 103 CO 0.03 0.00 0.35 0.27 0.02 0.00 0.00 177.57 178.24 1rk7 s ILE 104 N -6.19 2.19 0.00 4.57 -5.25 -1.26 -4.96 121.20 110.30 1rk7 s ILE 104 Ca -0.13 0.06 0.00 0.00 -0.99 0.00 0.00 60.65 59.59 1rk7 s ILE 104 Cb 0.08 -2.93 0.00 0.00 2.95 0.00 0.00 42.46 42.57 1rk7 s ILE 104 CO 0.67 -0.08 0.00 -0.24 -1.79 0.00 0.00 174.94 173.50 1rk7 n SER 105 N -3.51 0.00 -2.88 4.36 2.88 -1.13 -4.71 113.62 108.63 1rk7 n SER 105 Ca 0.07 0.00 -0.32 0.00 -1.33 0.00 0.00 58.87 57.29 1rk7 n SER 105 Cb 0.60 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 64.02 1rk7 n SER 105 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1rk7 n LEU 106 N 0.00 7.08 -4.84 2.46 4.32 -1.26 -1.92 117.00 122.84 1rk7 n LEU 106 Ca 0.00 -4.38 -0.21 0.00 -0.02 0.00 0.00 56.01 51.40 1rk7 n LEU 106 Cb 0.00 -1.29 -0.04 0.00 -1.62 0.00 0.00 43.42 40.47 1rk7 n LEU 106 CO 0.00 1.87 -0.06 -0.44 -1.22 0.00 0.00 177.39 177.53 1rk7 s SER 107 N 0.40 5.06 -0.47 -1.43 0.01 -1.26 -4.88 113.70 111.13 1rk7 s SER 107 Ca 0.57 -0.68 -0.07 0.00 1.31 0.00 0.00 55.95 57.09 1rk7 s SER 107 Cb 0.30 -0.73 -0.21 0.00 0.21 0.00 0.00 66.02 65.59 1rk7 s SER 107 CO -0.17 -0.50 3.39 0.61 0.41 0.00 0.00 173.24 176.99 1rk7 n GLY 108 N -1.42 3.33 1.05 3.44 0.00 -1.26 -1.09 105.19 109.24 1rk7 n GLY 108 Ca 0.01 -1.27 0.00 0.00 0.00 0.00 0.00 46.02 44.75 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 2.83 -0.25 -1.10 1.61 -0.08 -1.26 -4.93 116.55 113.38 1rk7 n ASP 109 Ca 0.53 0.08 0.02 0.00 -1.51 0.00 0.00 54.79 53.90 1rk7 n ASP 109 Cb 0.71 0.49 0.23 0.00 2.34 0.00 0.00 41.12 44.89 1rk7 n ASP 109 CO 0.00 0.00 0.00 1.41 0.12 0.00 0.00 177.20 178.73 1rk7 n HIS 110 N -2.37 1.15 -1.36 -0.67 8.25 -1.22 -5.04 115.22 113.97 1rk7 n HIS 110 Ca 0.00 -1.22 -0.49 0.00 -0.26 0.00 0.00 57.72 55.75 1rk7 n HIS 110 Cb 0.00 -0.43 -0.04 0.00 1.12 0.00 0.00 29.99 30.64 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 -0.77 -0.78 -0.09 0.41 3.41 -0.25 -2.86 113.62 112.69 1rk7 n SER 111 Ca 0.29 1.08 -0.11 0.00 -0.26 0.00 0.00 58.87 59.87 1rk7 n SER 111 Cb 1.00 -0.89 -0.11 0.00 -0.26 0.00 0.00 64.21 63.95 1rk7 n SER 111 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 1rk7 n ILE 112 N 0.49 1.13 -1.67 -1.33 -5.35 -0.81 -4.84 119.36 106.98 1rk7 n ILE 112 Ca 0.18 -0.57 -0.60 0.00 -0.27 0.00 0.00 62.75 61.49 1rk7 n ILE 112 Cb 0.18 -0.87 -0.08 0.00 -1.74 0.00 0.00 39.64 37.14 1rk7 n ILE 112 CO 0.00 0.00 0.00 -0.38 -1.76 0.00 0.00 176.55 174.41 1rk7 n ILE 113 N -2.82 0.13 0.00 7.28 5.41 -1.26 -1.94 119.36 126.16 1rk7 n ILE 113 Ca -0.30 -0.02 0.00 0.00 1.00 0.00 0.00 62.75 63.42 1rk7 n ILE 113 Cb 0.96 -0.79 0.00 0.00 -0.71 0.00 0.00 39.64 39.10 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 3.47 1.19 3.00 7.39 0.00 -1.22 -4.97 105.19 114.06 1rk7 n GLY 114 Ca 0.25 0.00 -0.43 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 -0.43 4.08 -1.87 1.61 1.74 -0.82 -4.63 116.66 116.35 1rk7 n ARG 115 Ca 0.00 -4.18 -0.40 0.00 -0.77 0.00 0.00 57.85 52.50 1rk7 n ARG 115 Cb 0.00 -2.67 0.01 0.00 -1.02 0.00 0.00 32.46 28.77 1rk7 n ARG 115 CO 0.00 0.00 0.00 -0.08 -1.52 0.00 0.00 177.63 176.03 1rk7 s THR 116 N -1.44 2.21 -1.23 0.55 -1.32 -1.26 -4.39 115.64 108.76 1rk7 s THR 116 Ca 0.34 0.19 -0.14 0.00 -1.21 0.00 0.00 61.69 60.87 1rk7 s THR 116 Cb 0.05 -3.11 0.16 0.00 -1.51 0.00 0.00 72.50 68.08 1rk7 s THR 116 CO 0.05 0.03 1.51 0.18 -2.21 0.00 0.00 174.62 174.19 1rk7 n LEU 117 N 0.08 5.27 -4.78 9.08 7.99 -1.14 -3.27 117.00 130.23 1rk7 n LEU 117 Ca 0.04 -4.39 -0.37 0.00 -0.01 0.00 0.00 56.01 51.28 1rk7 n LEU 117 Cb 0.41 -1.63 -0.06 0.00 -0.11 0.00 0.00 43.42 42.04 1rk7 n LEU 117 CO 0.59 0.68 0.69 -0.69 -1.51 0.00 0.00 177.39 177.15 1rk7 s VAL 118 N 1.90 4.01 -0.04 4.08 1.01 -1.26 -3.96 120.40 126.15 1rk7 s VAL 118 Ca 0.44 1.66 -0.01 0.00 0.00 0.00 0.00 61.98 64.07 1rk7 s VAL 118 Cb -0.01 -3.92 0.03 0.00 0.00 0.00 0.00 36.38 32.49 1rk7 s VAL 118 CO 0.01 0.12 0.08 0.68 0.00 0.00 0.00 175.10 175.99 1rk7 s VAL 119 N -1.59 -0.05 0.48 2.92 -7.23 -1.26 -2.29 120.40 111.38 1rk7 s VAL 119 Ca 0.52 0.19 -0.09 0.00 -1.81 0.00 0.00 61.98 60.78 1rk7 s VAL 119 Cb -0.21 -0.14 -0.05 0.00 0.56 0.00 0.00 36.38 36.54 1rk7 s VAL 119 CO 0.26 0.08 0.84 -1.00 -0.31 0.00 0.00 175.10 174.97 1rk7 s HIS 120 N 1.03 3.53 0.25 2.82 3.76 -1.26 -0.86 115.29 124.56 1rk7 s HIS 120 Ca -0.08 1.05 -0.04 0.00 -0.15 0.00 0.00 55.06 55.83 1rk7 s HIS 120 Cb -0.11 -2.47 0.48 0.00 1.11 0.00 0.00 32.58 31.58 1rk7 s HIS 120 CO -0.04 -0.29 1.70 1.49 -0.85 0.00 0.00 174.74 176.76 1rk7 h GLU 121 N 0.62 0.33 -3.50 1.40 4.81 -1.87 -3.35 114.58 113.01 1rk7 h GLU 121 Ca -0.47 -0.02 -0.09 0.00 -0.13 0.00 0.00 59.36 58.66 1rk7 h GLU 121 Cb 1.19 -0.07 -0.16 0.00 0.63 0.00 0.00 28.75 30.34 1rk7 h GLU 121 CO 0.63 0.22 -0.28 0.21 -0.73 0.00 0.00 179.01 179.05 1rk7 s LYS 122 N -6.03 0.83 0.00 1.92 2.36 -1.26 -4.89 119.74 112.67 1rk7 s LYS 122 Ca -0.13 -0.68 0.00 0.00 -2.55 0.00 0.00 55.97 52.62 1rk7 s LYS 122 Cb 0.21 0.35 0.00 0.00 -1.05 0.00 0.00 37.83 37.34 1rk7 s LYS 122 CO 0.76 -0.27 0.00 0.00 1.55 0.00 0.00 175.35 177.39 1rk7 n ALA 123 N 0.32 0.00 -1.34 3.13 0.00 -1.18 -3.63 120.51 117.81 1rk7 n ALA 123 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.27 1rk7 n ALA 123 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.06 1rk7 n ALA 123 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1rk7 n ASP 124 N -1.70 0.00 0.00 0.00 -0.08 -1.26 -4.38 116.55 109.14 1rk7 n ASP 124 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1rk7 n ASP 124 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 1rk7 n ASP 124 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 1rk7 n ASP 125 N -0.80 0.00 -2.16 1.67 8.00 -1.26 -4.87 116.55 117.13 1rk7 n ASP 125 Ca 0.00 0.00 -0.02 0.00 0.71 0.00 0.00 54.79 55.48 1rk7 n ASP 125 Cb 0.00 0.00 -0.00 0.00 -0.02 0.00 0.00 41.12 41.10 1rk7 n ASP 125 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1rk7 n LEU 126 N 0.00 -0.20 0.00 0.64 4.77 -1.26 -4.15 117.00 116.80 1rk7 n LEU 126 Ca 0.00 0.35 0.00 0.00 -0.03 0.00 0.00 56.01 56.33 1rk7 n LEU 126 Cb 0.00 -1.10 0.00 0.00 -2.33 0.00 0.00 43.42 39.99 1rk7 n LEU 126 CO 0.00 -0.04 0.00 0.61 -1.33 0.00 0.00 177.39 176.63 1rk7 n GLY 127 N -0.43 1.93 0.06 -0.72 0.00 -1.26 -4.80 105.19 99.96 1rk7 n GLY 127 Ca -0.03 -1.30 -0.03 0.00 0.00 0.00 0.00 46.02 44.66 1rk7 n GLY 127 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1rk7 n LYS 128 N 2.53 0.99 0.00 1.61 2.85 -1.26 -5.03 118.16 119.84 1rk7 n LYS 128 Ca 0.00 -0.06 0.00 0.00 -1.05 0.00 0.00 58.31 57.20 1rk7 n LYS 128 Cb 0.00 -1.45 0.00 0.00 -0.65 0.00 0.00 35.03 32.93 1rk7 n LYS 128 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1rk7 n GLY 129 N 1.78 3.42 2.57 2.58 0.00 -1.26 -5.09 105.19 109.19 1rk7 n GLY 129 Ca -0.21 -0.97 -0.14 0.00 0.00 0.00 0.00 46.02 44.70 1rk7 n GLY 129 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rk7 n GLY 130 N 0.00 -2.09 3.23 -0.02 0.00 -1.26 -5.05 105.19 100.00 1rk7 n GLY 130 Ca 0.00 -0.68 -0.13 0.00 0.00 0.00 0.00 46.02 45.21 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 -2.03 -0.22 0.00 1.61 0.01 -1.26 -4.63 114.94 108.42 1rk7 s ASN 131 Ca 0.31 0.22 0.00 0.00 -0.71 0.00 0.00 52.86 52.68 1rk7 s ASN 131 Cb -0.05 0.40 0.00 0.00 0.41 0.00 0.00 41.25 42.00 1rk7 s ASN 131 CO 0.26 -0.36 0.00 1.21 -1.51 0.00 0.00 177.10 176.70 1rk7 n GLU 132 N 1.70 0.00 0.09 -0.60 2.13 -1.26 -4.82 120.64 117.89 1rk7 n GLU 132 Ca -0.19 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.63 1rk7 n GLU 132 Cb 0.56 -2.58 0.00 0.00 0.27 0.00 0.00 31.44 29.69 1rk7 n GLU 132 CO 0.00 0.00 0.00 0.94 -0.41 0.00 0.00 177.13 177.66 1rk7 n GLN 133 N -0.98 0.00 0.03 5.31 -0.06 -1.26 -4.94 117.38 115.49 1rk7 n GLN 133 Ca 0.00 0.00 0.04 0.00 -2.00 0.00 0.00 57.00 55.04 1rk7 n GLN 133 Cb 0.37 0.00 -0.09 0.00 -4.06 0.00 0.00 30.24 26.47 1rk7 n GLN 133 CO 0.00 0.00 0.00 -1.13 -0.20 0.00 0.00 177.06 175.73 1rk7 n SER 134 N -2.88 0.59 0.00 1.69 3.41 -1.26 -2.19 113.62 112.98 1rk7 n SER 134 Ca 0.00 0.25 0.13 0.00 -0.26 0.00 0.00 58.87 58.98 1rk7 n SER 134 Cb 0.00 0.71 0.57 0.00 -0.26 0.00 0.00 64.21 65.23 1rk7 n SER 134 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1rk7 n THR 135 N -2.69 0.17 -0.06 6.66 -2.24 -1.26 -3.53 114.28 111.33 1rk7 n THR 135 Ca -0.09 0.03 -0.07 0.00 -2.27 0.00 0.00 64.05 61.66 1rk7 n THR 135 Cb 0.74 -0.58 -0.06 0.00 -2.10 0.00 0.00 70.33 68.33 1rk7 n THR 135 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 1rk7 n LYS 136 N -1.51 0.78 0.00 -0.78 2.85 -1.25 -1.68 118.16 116.56 1rk7 n LYS 136 Ca 0.06 0.05 0.00 0.00 -1.05 0.00 0.00 58.31 57.38 1rk7 n LYS 136 Cb 0.31 -1.24 0.00 0.00 -0.65 0.00 0.00 35.03 33.46 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 -2.74 0.00 -1.80 0.58 -2.24 -0.93 -4.78 114.28 102.37 1rk7 n THR 137 Ca -0.20 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.54 1rk7 n THR 137 Cb 0.74 0.00 -0.04 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 2.31 0.15 2.70 3.38 0.00 -1.14 -4.80 105.19 107.79 1rk7 n GLY 138 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 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 -1.07 0.06 1.61 5.15 -0.98 -4.13 115.26 115.90 1rk7 n ASN 139 Ca -0.17 0.24 0.00 0.00 -0.60 0.00 0.00 54.58 54.06 1rk7 n ASN 139 Cb 0.52 -1.04 0.00 0.00 -0.53 0.00 0.00 39.78 38.73 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 -2.61 3.00 -2.16 5.20 0.00 -1.26 -4.99 120.51 117.69 1rk7 n ALA 140 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 1rk7 n ALA 140 Cb 0.47 0.19 0.00 0.00 0.00 0.00 0.00 19.45 20.11 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 2.55 3.24 0.00 0.00 0.00 -1.26 -4.79 105.19 104.94 1rk7 n GLY 141 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.94 1rk7 n GLY 141 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1rk7 n SER 142 N 0.00 0.00 -4.27 1.61 2.88 -1.26 -4.56 113.62 108.02 1rk7 n SER 142 Ca 0.00 0.00 -0.53 0.00 -1.33 0.00 0.00 58.87 57.01 1rk7 n SER 142 Cb 0.00 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.40 1rk7 n SER 142 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1rk7 n ARG 143 N -0.15 0.00 -1.83 -1.46 1.74 -1.26 -2.96 116.66 110.74 1rk7 n ARG 143 Ca 0.00 0.00 0.01 0.00 -0.77 0.00 0.00 57.85 57.09 1rk7 n ARG 143 Cb 0.00 -1.26 0.02 0.00 -1.02 0.00 0.00 32.46 30.20 1rk7 n ARG 143 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1rk7 n LEU 144 N 1.61 0.57 -3.58 0.55 4.77 -0.04 -4.87 117.00 116.01 1rk7 n LEU 144 Ca 0.18 -2.35 -0.05 0.00 -0.03 0.00 0.00 56.01 53.77 1rk7 n LEU 144 Cb 0.14 0.12 -0.02 0.00 -2.33 0.00 0.00 43.42 41.33 1rk7 n LEU 144 CO 0.57 0.91 0.96 0.00 -1.33 0.00 0.00 177.39 178.49 1rk7 s ALA 145 N -0.90 -2.03 -0.46 -1.18 0.00 -1.25 -1.61 121.76 114.33 1rk7 s ALA 145 Ca 0.24 1.52 0.07 0.00 0.00 0.00 0.00 51.96 53.79 1rk7 s ALA 145 Cb 0.31 -0.09 0.27 0.00 0.00 0.00 0.00 23.12 23.61 1rk7 s ALA 145 CO -0.11 -0.59 0.89 0.00 0.00 0.00 0.00 175.76 175.96 1rk7 n GLY 147 N 1.13 3.63 3.65 0.00 0.00 -1.25 -4.57 105.19 107.79 1rk7 n GLY 147 Ca 0.11 -1.26 -0.47 0.00 0.00 0.00 0.00 46.02 44.40 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 4.47 0.12 -3.03 1.61 0.31 -1.26 -2.86 118.33 117.69 1rk7 n VAL 148 Ca 0.58 -0.03 -0.43 0.00 -0.01 0.00 0.00 64.34 64.45 1rk7 n VAL 148 Cb 0.26 -1.40 -0.05 0.00 -0.91 0.00 0.00 33.84 31.73 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 0.72 4.68 0.17 2.52 1.09 -1.25 -3.96 121.20 125.16 1rk7 s ILE 149 Ca 0.78 -0.13 0.08 0.00 -1.10 0.00 0.00 60.65 60.29 1rk7 s ILE 149 Cb -0.72 -4.39 -0.04 0.00 -1.06 0.00 0.00 42.46 36.25 1rk7 s ILE 149 CO 0.41 -0.91 -0.17 -0.83 -0.10 0.00 0.00 174.94 173.34 1rk7 s GLY 150 N 2.69 1.38 0.55 6.18 0.00 -0.34 -3.39 107.32 114.39 1rk7 s GLY 150 Ca 0.22 -1.53 -0.18 0.00 0.00 0.00 0.00 44.72 43.23 1rk7 s GLY 150 CO 0.15 -1.59 0.04 1.39 0.00 0.00 0.00 173.10 173.09 1rk7 n ILE 151 N 0.09 0.68 -3.73 0.90 2.08 -1.26 -0.74 119.36 117.38 1rk7 n ILE 151 Ca -0.12 -0.50 -0.10 0.00 0.56 0.00 0.00 62.75 62.60 1rk7 n ILE 151 Cb 0.58 -0.21 -0.04 0.00 -0.75 0.00 0.00 39.64 39.22 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 -1.92 -0.86 0.00 -1.39 0.00 -0.67 -4.52 121.76 112.40 1rk7 s ALA 152 Ca 0.60 -0.23 0.00 0.00 0.00 0.00 0.00 51.96 52.33 1rk7 s ALA 152 Cb -0.46 0.82 0.00 0.00 0.00 0.00 0.00 23.12 23.48 1rk7 s ALA 152 CO 0.63 -0.75 0.00 0.00 0.00 0.00 0.00 175.76 175.64