#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1v7p s PHE 2 N 0.00 3.27 0.00 1.24 0.08 -1.26 -3.63 117.98 117.68 1v7p s PHE 2 Ca 0.00 1.39 0.00 0.00 0.12 0.00 0.00 56.93 58.44 1v7p s PHE 2 Cb 0.00 -2.84 0.00 0.00 -0.57 0.00 0.00 43.02 39.61 1v7p s PHE 2 CO 0.00 -1.05 0.00 -0.25 -0.10 0.00 0.00 175.22 173.82 1v7p n ASP 3 N -2.93 0.00 -4.28 1.36 8.00 -1.26 -4.82 116.55 112.61 1v7p n ASP 3 Ca 0.07 0.00 -0.26 0.00 0.71 0.00 0.00 54.79 55.31 1v7p n ASP 3 Cb 0.54 -0.81 -0.14 0.00 -0.02 0.00 0.00 41.12 40.69 1v7p n ASP 3 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1v7p s PRO 5 N -1.40 0.63 0.29 0.00 0.04 -1.26 -4.66 135.00 128.64 1v7p s PRO 5 Ca 0.08 1.12 -0.28 0.00 0.04 0.00 0.00 61.00 61.96 1v7p s PRO 5 Cb -0.09 -1.71 -0.14 0.00 0.04 0.00 0.00 34.50 32.60 1v7p s PRO 5 CO 0.03 -2.76 1.11 0.45 0.04 0.00 0.00 177.00 175.87 1v7p n SER 6 N -4.28 1.77 0.00 6.66 2.88 -1.26 -1.93 113.62 117.46 1v7p n SER 6 Ca 0.08 1.18 0.00 0.00 -1.33 0.00 0.00 58.87 58.80 1v7p n SER 6 Cb 0.54 -1.34 0.00 0.00 -0.75 0.00 0.00 64.21 62.65 1v7p n SER 6 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1v7p n ASP 7 N 1.20 0.00 -4.89 -3.46 8.00 -1.26 -5.02 116.55 111.11 1v7p n ASP 7 Ca 0.09 0.00 -0.29 0.00 0.71 0.00 0.00 54.79 55.30 1v7p n ASP 7 Cb 0.33 0.00 0.01 0.00 -0.02 0.00 0.00 41.12 41.44 1v7p n ASP 7 CO 0.00 0.00 0.00 0.26 -0.39 0.00 0.00 177.20 177.07 1v7p s TRP 8 N -1.32 3.51 -0.04 1.24 0.52 -0.81 -4.90 118.94 117.13 1v7p s TRP 8 Ca 0.00 0.96 0.06 0.00 0.02 0.00 0.00 56.10 57.14 1v7p s TRP 8 Cb 0.00 -2.58 -0.01 0.00 -1.15 0.00 0.00 33.47 29.73 1v7p s TRP 8 CO 0.00 -0.59 -0.24 0.99 0.02 0.00 0.00 176.95 177.13 1v7p s THR 9 N -2.98 1.98 0.14 2.01 2.01 0.12 -4.27 115.64 114.64 1v7p s THR 9 Ca 0.52 -1.04 -0.13 0.00 0.31 0.00 0.00 61.69 61.35 1v7p s THR 9 Cb -0.11 -1.67 -0.07 0.00 0.01 0.00 0.00 72.50 70.67 1v7p s THR 9 CO 0.48 0.55 0.51 0.00 -0.69 0.00 0.00 174.62 175.48 1v7p s ALA 10 N -0.28 3.61 -0.28 7.40 0.00 -1.26 0.13 121.76 131.09 1v7p s ALA 10 Ca 0.00 -0.20 0.01 0.00 0.00 0.00 0.00 51.96 51.77 1v7p s ALA 10 Cb -0.12 -2.45 0.16 0.00 0.00 0.00 0.00 23.12 20.70 1v7p s ALA 10 CO 0.02 0.49 0.43 -0.47 0.00 0.00 0.00 175.76 176.23 1v7p s TYR 11 N -1.48 -1.08 0.00 0.00 5.04 -0.74 -4.98 117.35 114.11 1v7p s TYR 11 Ca 0.38 0.61 0.00 0.00 -2.44 0.00 0.00 57.07 55.62 1v7p s TYR 11 Cb -0.14 -0.02 0.00 0.00 0.35 0.00 0.00 41.96 42.15 1v7p s TYR 11 CO 0.19 -0.92 0.00 -0.40 -1.34 0.00 0.00 175.55 173.08 1v7p n ASP 12 N 5.37 0.00 -0.51 4.32 5.68 -1.26 -1.69 116.55 128.46 1v7p n ASP 12 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 1v7p n ASP 12 Cb 0.50 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.48 1v7p n ASP 12 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1v7p n GLN 13 N 11.97 0.70 -4.34 0.11 6.02 -1.26 -4.82 117.38 125.76 1v7p n GLN 13 Ca 0.00 0.00 -0.18 0.00 -0.01 0.00 0.00 57.00 56.81 1v7p n GLN 13 Cb 0.00 -1.35 -0.10 0.00 1.02 0.00 0.00 30.24 29.81 1v7p n GLN 13 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 177.06 175.04 1v7p s HIS 14 N -0.97 1.67 -0.05 1.08 3.76 -0.68 -0.89 115.29 119.22 1v7p s HIS 14 Ca 0.00 -0.63 0.05 0.00 -0.15 0.00 0.00 55.06 54.33 1v7p s HIS 14 Cb 0.00 -0.82 -0.00 0.00 1.11 0.00 0.00 32.58 32.87 1v7p s HIS 14 CO 0.00 0.30 -0.19 0.00 -0.85 0.00 0.00 174.74 174.00 1v7p s TYR 16 N 0.01 1.89 -0.20 0.00 1.51 0.12 -1.97 117.35 118.71 1v7p s TYR 16 Ca -0.04 -0.46 -0.13 0.00 -1.01 0.00 0.00 57.07 55.43 1v7p s TYR 16 Cb -0.12 -0.92 0.06 0.00 -0.11 0.00 0.00 41.96 40.87 1v7p s TYR 16 CO 0.03 0.38 0.49 -1.17 -1.11 0.00 0.00 175.55 174.17 1v7p s LEU 17 N -2.82 -0.21 -0.13 -1.29 2.96 -0.75 0.11 118.68 116.55 1v7p s LEU 17 Ca 0.18 1.04 -0.08 0.00 -0.22 0.00 0.00 54.13 55.05 1v7p s LEU 17 Cb -0.05 1.64 -0.04 0.00 0.50 0.00 0.00 46.19 48.23 1v7p s LEU 17 CO 0.08 -0.20 0.16 0.00 -1.32 0.00 0.00 176.35 175.07 1v7p s ALA 18 N 1.15 3.83 -0.21 5.97 0.00 -1.26 -0.38 121.76 130.87 1v7p s ALA 18 Ca -0.07 -0.62 -0.01 0.00 0.00 0.00 0.00 51.96 51.26 1v7p s ALA 18 Cb -0.06 -2.04 0.01 0.00 0.00 0.00 0.00 23.12 21.03 1v7p s ALA 18 CO -0.11 0.53 -0.12 0.42 0.00 0.00 0.00 175.76 176.47 1v7p s ILE 19 N -0.78 2.61 0.11 0.00 1.09 0.76 -4.99 121.20 120.01 1v7p s ILE 19 Ca 0.14 -0.84 -0.09 0.00 -1.10 0.00 0.00 60.65 58.77 1v7p s ILE 19 Cb -0.12 -2.19 -0.19 0.00 -1.06 0.00 0.00 42.46 38.90 1v7p s ILE 19 CO 0.04 0.43 1.27 1.23 -0.10 0.00 0.00 174.94 177.80 1v7p h GLY 20 N 8.00 0.63 -6.96 6.18 0.00 -1.96 -1.39 103.07 107.57 1v7p h GLY 20 Ca -0.41 -1.06 -0.58 0.00 0.00 0.00 0.00 47.33 45.28 1v7p h GLY 20 CO 0.61 0.94 1.40 1.85 0.00 0.00 0.00 176.54 181.34 1v7p s GLU 21 N -3.38 3.19 0.54 4.80 2.12 -1.26 -4.43 118.70 120.28 1v7p s GLU 21 Ca -0.08 1.72 -0.22 0.00 0.36 0.00 0.00 54.97 56.76 1v7p s GLU 21 Cb 0.08 -4.30 -0.05 0.00 0.26 0.00 0.00 34.13 30.12 1v7p s GLU 21 CO 0.89 -2.04 1.36 -1.25 -0.54 0.00 0.00 175.26 173.68 1v7p s PRO 22 N 6.10 3.19 0.08 4.30 0.04 -1.26 -4.76 135.00 142.69 1v7p s PRO 22 Ca 0.91 2.23 -0.11 0.00 0.04 0.00 0.00 61.00 64.07 1v7p s PRO 22 Cb -0.28 -2.28 0.01 0.00 0.04 0.00 0.00 34.50 31.99 1v7p s PRO 22 CO 0.34 -1.15 0.24 -0.65 0.04 0.00 0.00 177.00 175.82 1v7p s GLN 23 N -2.88 0.86 0.98 4.56 -1.52 -0.76 -4.72 119.66 116.18 1v7p s GLN 23 Ca 0.71 -0.82 -0.14 0.00 -1.95 0.00 0.00 55.36 53.16 1v7p s GLN 23 Cb -0.40 0.36 0.18 0.00 -0.22 0.00 0.00 33.01 32.92 1v7p s GLN 23 CO 0.48 -0.28 1.16 0.54 -0.25 0.00 0.00 175.29 176.94 1v7p s ASN 24 N -2.65 2.90 0.20 5.90 2.20 -1.25 -1.83 114.94 120.43 1v7p s ASN 24 Ca 0.02 0.79 -0.10 0.00 -0.94 0.00 0.00 52.86 52.63 1v7p s ASN 24 Cb 0.03 -1.21 0.25 0.00 -2.00 0.00 0.00 41.25 38.32 1v7p s ASN 24 CO -0.09 -2.91 1.76 -0.25 -2.94 0.00 0.00 177.10 172.67 1v7p h TRP 25 N -1.75 0.46 -0.36 1.54 7.01 -1.27 -0.69 115.95 120.90 1v7p h TRP 25 Ca -0.49 0.03 -0.01 0.00 2.11 0.00 0.00 58.89 60.53 1v7p h TRP 25 Cb 1.31 -0.12 -0.02 0.00 -2.10 0.00 0.00 29.16 28.24 1v7p h TRP 25 CO -0.43 0.16 0.18 1.88 -2.79 0.00 0.00 178.44 177.44 1v7p h TYR 26 N 0.47 0.50 -0.08 2.65 0.05 -1.92 -0.59 116.97 118.05 1v7p h TYR 26 Ca 0.30 -0.02 -0.14 0.00 0.05 0.00 0.00 58.73 58.92 1v7p h TYR 26 Cb 0.32 -0.16 -0.01 0.00 1.01 0.00 0.00 36.73 37.88 1v7p h TYR 26 CO -0.14 0.42 -0.55 0.93 -1.05 0.00 0.00 178.16 177.76 1v7p h GLU 27 N 0.45 0.24 0.21 4.88 4.39 -1.86 -0.25 114.58 122.63 1v7p h GLU 27 Ca 0.12 -0.15 -0.01 0.00 0.34 0.00 0.00 59.36 59.67 1v7p h GLU 27 Cb 0.09 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.76 1v7p h GLU 27 CO -0.02 0.73 -0.10 0.00 -1.16 0.00 0.00 179.01 178.46 1v7p h ALA 28 N 1.24 -0.28 -0.74 3.43 0.00 -0.89 -0.77 119.26 121.25 1v7p h ALA 28 Ca 0.00 -0.13 0.04 0.00 0.00 0.00 0.00 54.91 54.82 1v7p h ALA 28 Cb 1.03 0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.88 1v7p h ALA 28 CO 0.09 -0.56 0.45 1.49 0.00 0.00 0.00 179.25 180.72 1v7p h GLU 29 N -0.47 0.84 -0.23 0.00 4.57 -1.03 -1.84 114.58 116.43 1v7p h GLU 29 Ca -0.03 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.10 1v7p h GLU 29 Cb 0.35 -0.19 -0.01 0.00 -0.16 0.00 0.00 28.75 28.74 1v7p h GLU 29 CO 0.05 0.55 0.15 -0.09 -1.18 0.00 0.00 179.01 178.49 1v7p h ARG 30 N 0.86 0.29 -0.43 1.92 2.43 -0.85 -1.31 114.38 117.30 1v7p h ARG 30 Ca 0.31 -0.02 0.07 0.00 -0.81 0.00 0.00 59.98 59.53 1v7p h ARG 30 Cb 0.09 -0.07 -0.06 0.00 -0.42 0.00 0.00 29.97 29.52 1v7p h ARG 30 CO -0.14 0.19 0.10 0.35 -1.51 0.00 0.00 179.97 178.96 1v7p h PHE 31 N 0.30 0.16 -0.95 2.20 3.57 -0.66 -1.77 116.94 119.79 1v7p h PHE 31 Ca 0.08 0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.66 1v7p h PHE 31 Cb -0.03 -0.01 -0.06 0.00 2.79 0.00 0.00 35.95 38.64 1v7p h PHE 31 CO -0.06 0.02 0.62 0.00 -2.23 0.00 0.00 178.31 176.66 1v7p h THR 33 N 1.16 0.16 0.00 0.00 1.35 -0.35 -1.86 112.91 113.36 1v7p h THR 33 Ca 0.39 -0.30 0.00 0.00 -0.55 0.00 0.00 66.41 65.95 1v7p h THR 33 Cb 0.09 1.25 0.00 0.00 -1.73 0.00 0.00 68.15 67.77 1v7p h THR 33 CO -0.14 0.03 0.00 -0.33 -0.25 0.00 0.00 175.52 174.83 1v7p h GLU 34 N 0.00 0.00 0.00 4.72 5.08 -0.96 -3.35 114.58 120.08 1v7p h GLU 34 Ca -0.00 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.30 1v7p h GLU 34 Cb 0.25 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 1v7p h GLU 34 CO 0.00 0.00 -0.28 1.96 -1.00 0.00 0.00 179.01 179.70 1v7p h GLN 35 N 0.00 0.00 -2.14 2.33 1.08 -1.32 -3.48 115.11 111.59 1v7p h GLN 35 Ca 0.00 0.00 0.18 0.00 -1.45 0.00 0.00 58.65 57.38 1v7p h GLN 35 Cb 0.87 0.00 -0.12 0.00 -0.05 0.00 0.00 27.48 28.18 1v7p h GLN 35 CO 0.00 0.28 0.56 0.00 -0.95 0.00 0.00 178.83 178.71 1v7p s ALA 36 N -3.17 -1.82 0.27 3.87 0.00 -1.26 -4.96 121.76 114.70 1v7p s ALA 36 Ca 0.04 0.60 -0.01 0.00 0.00 0.00 0.00 51.96 52.58 1v7p s ALA 36 Cb 0.07 0.48 0.60 0.00 0.00 0.00 0.00 23.12 24.27 1v7p s ALA 36 CO 0.70 -0.90 1.65 -0.22 0.00 0.00 0.00 175.76 176.99 1v7p h LYS 37 N 2.00 0.18 -0.70 0.00 3.64 -1.93 -1.12 116.57 118.65 1v7p h LYS 37 Ca -0.23 -0.01 -0.50 0.00 -1.27 0.00 0.00 60.65 58.64 1v7p h LYS 37 Cb 1.23 -0.04 -0.35 0.00 -0.41 0.00 0.00 32.23 32.66 1v7p h LYS 37 CO 0.27 0.12 -0.45 -0.40 -2.27 0.00 0.00 179.45 176.72 1v7p n ASP 38 N -5.25 4.91 -4.76 4.20 3.85 -1.26 -5.05 116.55 113.18 1v7p n ASP 38 Ca 0.18 -3.77 -0.40 0.00 -0.71 0.00 0.00 54.79 50.09 1v7p n ASP 38 Cb 0.59 -0.48 -0.03 0.00 -1.35 0.00 0.00 41.12 39.85 1v7p n ASP 38 CO 0.00 0.00 0.00 -0.83 -1.01 0.00 0.00 177.20 175.36 1v7p s GLY 39 N -3.19 2.99 0.25 6.12 0.00 -0.43 -4.55 107.32 108.51 1v7p s GLY 39 Ca 0.52 0.98 -0.22 0.00 0.00 0.00 0.00 44.72 46.00 1v7p s GLY 39 CO 0.02 1.56 0.80 0.30 0.00 0.00 0.00 173.10 175.78 1v7p s HIS 40 N -1.24 -0.15 0.67 1.90 3.76 -0.85 -3.51 115.29 115.88 1v7p s HIS 40 Ca 0.49 -0.29 -0.16 0.00 -0.15 0.00 0.00 55.06 54.95 1v7p s HIS 40 Cb -0.33 0.70 0.00 0.00 1.11 0.00 0.00 32.58 34.07 1v7p s HIS 40 CO 0.42 -1.15 1.19 -0.51 -0.85 0.00 0.00 174.74 173.84 1v7p s LEU 41 N -2.95 3.45 0.38 0.89 1.43 -1.26 -1.13 118.68 119.49 1v7p s LEU 41 Ca 0.12 2.29 -0.27 0.00 -1.03 0.00 0.00 54.13 55.24 1v7p s LEU 41 Cb -0.05 -4.58 -0.11 0.00 0.03 0.00 0.00 46.19 41.48 1v7p s LEU 41 CO 0.06 -1.89 1.38 0.55 0.23 0.00 0.00 176.35 176.68 1v7p n VAL 42 N -2.26 2.16 -4.82 -1.59 3.14 0.17 -4.19 118.33 110.94 1v7p n VAL 42 Ca 0.13 -0.50 -0.33 0.00 -2.96 0.00 0.00 64.34 60.68 1v7p n VAL 42 Cb 0.50 -1.76 -0.14 0.00 -1.06 0.00 0.00 33.84 31.38 1v7p n VAL 42 CO 0.00 0.00 0.00 -0.94 -6.46 0.00 0.00 176.83 169.43 1v7p s SER 43 N -0.28 4.03 -0.39 6.55 1.04 -1.26 -0.03 113.70 123.35 1v7p s SER 43 Ca 0.56 -0.27 -0.04 0.00 0.48 0.00 0.00 55.95 56.68 1v7p s SER 43 Cb -0.51 -1.30 0.09 0.00 0.10 0.00 0.00 66.02 64.40 1v7p s SER 43 CO 0.62 0.24 0.18 -0.63 0.98 0.00 0.00 173.24 174.63 1v7p s ILE 44 N -0.09 3.46 -2.59 -1.02 1.01 -1.26 -4.95 121.20 115.76 1v7p s ILE 44 Ca -0.02 -1.76 0.24 0.00 0.00 0.00 0.00 60.65 59.11 1v7p s ILE 44 Cb -0.14 -3.23 0.38 0.00 0.01 0.00 0.00 42.46 39.48 1v7p s ILE 44 CO 0.04 -0.53 1.38 0.00 0.00 0.00 0.00 174.94 175.83 1v7p n GLN 45 N 4.68 2.47 -3.46 2.79 6.02 -1.26 -4.97 117.38 123.65 1v7p n GLN 45 Ca -0.06 -2.20 -0.14 0.00 -0.01 0.00 0.00 57.00 54.59 1v7p n GLN 45 Cb 0.42 -1.50 -0.04 0.00 1.02 0.00 0.00 30.24 30.14 1v7p n GLN 45 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 1v7p s SER 46 N -1.60 -0.60 0.37 1.08 1.04 -1.26 -5.02 113.70 107.70 1v7p s SER 46 Ca 0.37 0.27 0.05 0.00 0.48 0.00 0.00 55.95 57.12 1v7p s SER 46 Cb 0.22 0.58 0.71 0.00 0.10 0.00 0.00 66.02 67.63 1v7p s SER 46 CO 0.31 -0.83 1.96 -0.09 0.98 0.00 0.00 173.24 175.57 1v7p h ARG 47 N 2.37 0.55 -0.58 4.02 2.43 -1.98 -0.59 114.38 120.61 1v7p h ARG 47 Ca -0.31 -0.07 -0.06 0.00 -0.81 0.00 0.00 59.98 58.72 1v7p h ARG 47 Cb 1.25 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 30.67 1v7p h ARG 47 CO 0.38 0.47 0.11 0.93 -1.51 0.00 0.00 179.97 180.36 1v7p h GLU 48 N 0.55 0.95 -0.52 0.20 4.39 -1.99 0.12 114.58 118.28 1v7p h GLU 48 Ca 0.13 -0.25 -0.08 0.00 0.34 0.00 0.00 59.36 59.50 1v7p h GLU 48 Cb 0.14 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 28.65 1v7p h GLU 48 CO -0.01 0.89 -0.02 1.49 -1.16 0.00 0.00 179.01 180.21 1v7p h GLU 49 N 0.85 0.89 -0.85 2.33 4.81 -1.81 -1.40 114.58 119.39 1v7p h GLU 49 Ca 0.18 -0.26 0.02 0.00 -0.13 0.00 0.00 59.36 59.17 1v7p h GLU 49 Cb 0.40 -0.09 -0.05 0.00 0.63 0.00 0.00 28.75 29.64 1v7p h GLU 49 CO 0.01 0.90 0.55 0.78 -0.73 0.00 0.00 179.01 180.52 1v7p h GLY 50 N 0.99 1.22 1.21 1.92 0.00 -0.44 0.58 103.07 108.55 1v7p h GLY 50 Ca 0.15 -0.43 -0.08 0.00 0.00 0.00 0.00 47.33 46.98 1v7p h GLY 50 CO 0.03 0.38 0.04 3.43 0.00 0.00 0.00 176.54 180.42 1v7p h ASN 51 N 1.09 0.93 -0.13 0.19 2.35 -0.23 -0.45 115.58 119.34 1v7p h ASN 51 Ca 0.33 -0.23 -0.01 0.00 -0.55 0.00 0.00 56.30 55.84 1v7p h ASN 51 Cb -0.04 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.08 1v7p h ASN 51 CO -0.10 0.97 0.04 0.15 -1.65 0.00 0.00 177.43 176.83 1v7p h PHE 52 N 0.90 0.21 -0.44 1.19 3.57 -0.41 -1.88 116.94 120.07 1v7p h PHE 52 Ca 0.17 -0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.65 1v7p h PHE 52 Cb 0.47 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 39.13 1v7p h PHE 52 CO 0.03 0.34 0.27 0.28 -2.23 0.00 0.00 178.31 177.01 1v7p h VAL 53 N 0.01 1.14 -0.85 1.41 2.07 -0.73 -0.50 116.25 118.79 1v7p h VAL 53 Ca 0.04 -0.30 0.08 0.00 0.82 0.00 0.00 66.70 67.35 1v7p h VAL 53 Cb 0.24 0.53 -0.07 0.00 -1.52 0.00 0.00 31.29 30.47 1v7p h VAL 53 CO -0.00 0.14 0.51 0.00 0.02 0.00 0.00 177.57 178.24 1v7p h ALA 54 N 1.13 1.21 -0.41 1.67 0.00 -1.00 -1.09 119.26 120.77 1v7p h ALA 54 Ca 0.16 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 55.01 1v7p h ALA 54 Cb -0.02 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1v7p h ALA 54 CO -0.03 0.19 -0.02 0.37 0.00 0.00 0.00 179.25 179.76 1v7p h GLN 55 N 0.89 0.73 -0.90 0.00 5.75 -0.87 -1.91 115.11 118.80 1v7p h GLN 55 Ca 0.40 -0.24 0.08 0.00 -0.15 0.00 0.00 58.65 58.74 1v7p h GLN 55 Cb 0.29 -0.06 -0.06 0.00 1.07 0.00 0.00 27.48 28.72 1v7p h GLN 55 CO -0.22 0.83 0.58 1.25 -2.65 0.00 0.00 178.83 178.62 1v7p h LEU 56 N 0.56 0.85 -2.96 -2.39 5.85 0.05 -2.46 115.31 114.81 1v7p h LEU 56 Ca 0.11 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.85 1v7p h LEU 56 Cb 0.51 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.38 1v7p h LEU 56 CO 0.02 0.52 0.00 1.33 -0.34 0.00 0.00 178.44 179.97 1v7p n VAL 57 N -4.52 1.41 0.04 1.05 0.24 -0.53 -4.54 118.33 111.49 1v7p n VAL 57 Ca 0.15 -1.14 0.14 0.00 -2.04 0.00 0.00 64.34 61.45 1v7p n VAL 57 Cb 0.26 0.31 0.60 0.00 -1.47 0.00 0.00 33.84 33.54 1v7p n VAL 57 CO 0.00 0.00 0.00 0.77 -2.14 0.00 0.00 176.83 175.46 1v7p h SER 58 N 3.61 0.14 0.28 -1.34 4.64 -0.84 0.61 113.55 120.64 1v7p h SER 58 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1v7p h SER 58 Cb 1.15 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 1v7p h SER 58 CO 0.11 0.09 0.00 0.61 -0.87 0.00 0.00 176.83 176.76 1v7p n GLY 59 N -1.57 -0.95 0.05 -0.77 0.00 -1.26 -1.90 105.19 98.80 1v7p n GLY 59 Ca 0.06 0.10 0.15 0.00 0.00 0.00 0.00 46.02 46.34 1v7p n GLY 59 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1v7p n PHE 60 N -2.04 0.00 0.16 1.61 0.99 0.21 -4.01 117.46 114.38 1v7p n PHE 60 Ca 0.00 0.00 0.11 0.00 -0.00 0.00 0.00 57.45 57.56 1v7p n PHE 60 Cb 0.10 -0.12 0.63 0.00 -1.00 0.00 0.00 39.48 39.10 1v7p n PHE 60 CO 0.00 0.00 0.00 0.52 -0.00 0.00 0.00 176.76 177.28 1v7p h MET 61 N 0.24 0.05 -0.00 -1.08 2.86 -1.55 -1.80 114.93 113.66 1v7p h MET 61 Ca 0.00 -0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1v7p h MET 61 Cb 0.18 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.83 1v7p h MET 61 CO 0.00 0.04 -0.25 -2.39 1.06 0.00 0.00 176.91 175.37 1v7p n HIS 62 N -4.49 0.00 -0.98 -0.22 1.44 -1.26 -4.90 115.22 104.82 1v7p n HIS 62 Ca 0.01 0.00 -0.29 0.00 -2.01 0.00 0.00 57.72 55.43 1v7p n HIS 62 Cb 0.23 -0.28 0.18 0.00 0.12 0.00 0.00 29.99 30.24 1v7p n HIS 62 CO 0.00 0.00 0.00 1.03 -2.81 0.00 0.00 176.34 174.56 1v7p s ARG 63 N -2.81 0.39 0.34 -1.40 0.52 -0.68 -4.94 118.95 110.37 1v7p s ARG 63 Ca 0.18 0.79 0.20 0.00 -0.52 0.00 0.00 55.73 56.38 1v7p s ARG 63 Cb 0.19 -1.71 0.19 0.00 0.52 0.00 0.00 34.95 34.14 1v7p s ARG 63 CO 0.58 -2.83 1.47 0.66 0.02 0.00 0.00 175.30 175.20 1v7p h SER 64 N -1.97 0.00 -3.60 0.23 4.64 -1.90 -3.45 113.55 107.49 1v7p h SER 64 Ca -0.54 0.00 -0.51 0.00 -0.47 0.00 0.00 61.79 60.27 1v7p h SER 64 Cb 1.31 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.39 1v7p h SER 64 CO 0.53 0.22 0.40 -1.61 -0.87 0.00 0.00 176.83 175.50 1v7p s GLU 65 N -3.11 4.69 0.35 4.77 8.01 -1.26 -4.96 118.70 127.19 1v7p s GLU 65 Ca 0.05 1.55 0.23 0.00 0.01 0.00 0.00 54.97 56.81 1v7p s GLU 65 Cb 0.06 -3.33 0.35 0.00 -4.31 0.00 0.00 34.13 26.90 1v7p s GLU 65 CO 0.71 0.22 1.52 0.82 0.01 0.00 0.00 175.26 178.54 1v7p h ILE 66 N 3.77 0.00 -2.32 -1.63 2.04 -1.96 -3.48 117.51 113.94 1v7p h ILE 66 Ca -0.44 -0.90 -0.55 0.00 1.00 0.00 0.00 64.86 63.98 1v7p h ILE 66 Cb 1.21 1.79 -0.14 0.00 -0.74 0.00 0.00 36.82 38.94 1v7p h ILE 66 CO 0.71 0.00 -0.66 -0.31 0.00 0.00 0.00 178.15 177.89 1v7p s TYR 67 N -3.22 2.17 -0.06 1.37 2.02 -1.26 -1.51 117.35 116.85 1v7p s TYR 67 Ca 0.06 -0.67 -0.01 0.00 -0.37 0.00 0.00 57.07 56.09 1v7p s TYR 67 Cb 0.07 -1.30 0.03 0.00 -0.40 0.00 0.00 41.96 40.35 1v7p s TYR 67 CO 0.68 0.36 -0.01 0.08 -1.57 0.00 0.00 175.55 175.10 1v7p s VAL 68 N -2.88 0.38 0.36 0.71 1.01 -0.97 -4.16 120.40 114.85 1v7p s VAL 68 Ca 0.32 0.07 -0.28 0.00 0.00 0.00 0.00 61.98 62.09 1v7p s VAL 68 Cb 0.05 -0.51 -0.11 0.00 0.00 0.00 0.00 36.38 35.81 1v7p s VAL 68 CO 0.15 0.24 1.46 0.26 0.00 0.00 0.00 175.10 177.21 1v7p s TRP 69 N 1.67 2.68 0.19 5.22 0.23 -0.62 0.12 118.94 128.43 1v7p s TRP 69 Ca 0.00 1.18 0.05 0.00 -2.03 0.00 0.00 56.10 55.30 1v7p s TRP 69 Cb -0.13 -3.97 -0.05 0.00 0.03 0.00 0.00 33.47 29.36 1v7p s TRP 69 CO -0.04 -2.85 -0.09 0.96 0.96 0.00 0.00 176.95 175.89 1v7p s ILE 70 N -1.02 1.31 -0.51 2.03 -4.36 -1.07 -3.50 121.20 114.08 1v7p s ILE 70 Ca 0.53 -2.09 0.00 0.00 -0.26 0.00 0.00 60.65 58.83 1v7p s ILE 70 Cb -0.45 -2.05 0.00 0.00 1.25 0.00 0.00 42.46 41.21 1v7p s ILE 70 CO 0.60 -0.58 0.53 0.61 0.24 0.00 0.00 174.94 176.34 1v7p n GLY 71 N -0.32 1.25 3.73 6.27 0.00 0.95 -4.61 105.19 112.47 1v7p n GLY 71 Ca -0.08 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.59 1v7p n GLY 71 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1v7p s LEU 72 N 0.00 4.22 0.07 0.99 2.96 -1.26 -4.97 118.68 120.69 1v7p s LEU 72 Ca 0.00 0.27 -0.26 0.00 -0.22 0.00 0.00 54.13 53.92 1v7p s LEU 72 Cb 0.00 -2.13 0.08 0.00 0.50 0.00 0.00 46.19 44.64 1v7p s LEU 72 CO 0.00 0.17 0.83 0.00 -1.32 0.00 0.00 176.35 176.03 1v7p s ARG 73 N 0.37 1.03 -0.31 1.98 1.70 -1.26 -1.05 118.95 121.40 1v7p s ARG 73 Ca 0.09 -0.43 -0.12 0.00 -0.47 0.00 0.00 55.73 54.80 1v7p s ARG 73 Cb -0.11 0.44 -0.03 0.00 -0.57 0.00 0.00 34.95 34.68 1v7p s ARG 73 CO -0.01 -0.46 0.22 0.34 -1.08 0.00 0.00 175.30 174.32 1v7p s ASP 74 N -2.64 6.05 0.00 -2.89 3.68 -0.52 -4.99 116.67 115.37 1v7p s ASP 74 Ca 0.06 -0.23 0.27 0.00 2.13 0.00 0.00 52.55 54.77 1v7p s ASP 74 Cb -0.01 -2.13 1.56 0.00 -1.45 0.00 0.00 42.92 40.88 1v7p s ASP 74 CO -0.07 -0.16 1.94 0.54 0.13 0.00 0.00 175.17 177.55 1v7p n ARG 75 N 5.10 0.77 -0.85 4.34 1.74 -1.26 -4.90 116.66 121.59 1v7p n ARG 75 Ca -0.13 0.01 -0.31 0.00 -0.77 0.00 0.00 57.85 56.65 1v7p n ARG 75 Cb 0.51 -1.50 0.15 0.00 -1.02 0.00 0.00 32.46 30.60 1v7p n ARG 75 CO 0.00 0.00 0.00 -0.98 -1.52 0.00 0.00 177.63 175.13 1v7p s ARG 76 N -2.09 1.29 0.19 5.56 1.70 -1.26 -4.94 118.95 119.40 1v7p s ARG 76 Ca 0.38 1.42 0.05 0.00 -0.47 0.00 0.00 55.73 57.10 1v7p s ARG 76 Cb 0.18 -1.77 0.07 0.00 -0.57 0.00 0.00 34.95 32.86 1v7p s ARG 76 CO 0.32 -2.40 1.43 0.93 -1.08 0.00 0.00 175.30 174.51 1v7p h GLU 77 N -1.69 0.14 -7.25 3.89 4.39 -1.97 -3.46 114.58 108.63 1v7p h GLU 77 Ca -0.44 -0.14 -0.52 0.00 0.34 0.00 0.00 59.36 58.59 1v7p h GLU 77 Cb 1.26 0.04 0.19 0.00 -0.10 0.00 0.00 28.75 30.14 1v7p h GLU 77 CO 0.45 0.87 0.27 -1.21 -1.16 0.00 0.00 179.01 178.23 1v7p s GLU 78 N -3.30 1.31 0.00 2.33 8.01 -1.26 -4.94 118.70 120.85 1v7p s GLU 78 Ca -0.02 1.59 0.28 0.00 0.01 0.00 0.00 54.97 56.82 1v7p s GLU 78 Cb 0.11 -1.76 0.98 0.00 -4.31 0.00 0.00 34.13 29.15 1v7p s GLU 78 CO 0.81 -2.43 1.70 1.04 0.01 0.00 0.00 175.26 176.40 1v7p n GLN 79 N -3.88 1.01 -3.91 1.61 6.02 -1.26 -4.91 117.38 112.06 1v7p n GLN 79 Ca 0.12 -0.53 -0.09 0.00 -0.01 0.00 0.00 57.00 56.49 1v7p n GLN 79 Cb 0.52 -1.49 -0.06 0.00 1.02 0.00 0.00 30.24 30.23 1v7p n GLN 79 CO 0.00 0.00 0.00 1.14 -1.01 0.00 0.00 177.06 177.19 1v7p s GLN 80 N -2.35 1.33 -0.14 -1.09 0.00 -1.26 -4.48 119.66 111.67 1v7p s GLN 80 Ca 0.30 -1.11 -0.02 0.00 -0.00 0.00 0.00 55.36 54.53 1v7p s GLN 80 Cb 0.20 0.44 -0.24 0.00 0.00 0.00 0.00 33.01 33.41 1v7p s GLN 80 CO 0.46 -0.53 0.28 0.00 0.00 0.00 0.00 175.29 175.50 1v7p n ASN 82 N -3.37 3.76 0.19 0.00 2.85 -1.26 -4.88 115.26 112.56 1v7p n ASN 82 Ca -0.33 0.96 0.13 0.00 -0.11 0.00 0.00 54.58 55.24 1v7p n ASN 82 Cb 1.04 -1.46 0.35 0.00 1.24 0.00 0.00 39.78 40.95 1v7p n ASN 82 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 1v7p h PRO 83 N 9.18 0.00 -4.17 1.20 0.13 -1.95 -3.45 132.00 132.94 1v7p h PRO 83 Ca -0.48 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.53 1v7p h PRO 83 Cb 1.25 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.23 1v7p h PRO 83 CO 0.94 0.00 -0.64 -1.21 -0.23 0.00 0.00 178.00 176.86 1v7p s GLU 84 N -3.26 0.64 0.93 0.86 2.02 -1.26 -1.56 118.70 117.06 1v7p s GLU 84 Ca 0.07 -1.17 -0.15 0.00 0.02 0.00 0.00 54.97 53.74 1v7p s GLU 84 Cb 0.08 0.23 0.17 0.00 0.10 0.00 0.00 34.13 34.70 1v7p s GLU 84 CO 0.61 -0.13 1.25 -1.58 0.02 0.00 0.00 175.26 175.42 1v7p s TRP 85 N -3.85 1.98 0.39 1.61 0.52 0.09 -4.84 118.94 114.85 1v7p s TRP 85 Ca 0.06 0.51 0.08 0.00 0.02 0.00 0.00 56.10 56.77 1v7p s TRP 85 Cb 0.07 -3.82 0.84 0.00 -1.15 0.00 0.00 33.47 29.41 1v7p s TRP 85 CO -0.10 -2.47 2.00 -2.95 0.02 0.00 0.00 176.95 173.45 1v7p h ASN 86 N -1.54 0.54 -0.08 2.95 -1.07 -2.02 -1.16 115.58 113.20 1v7p h ASN 86 Ca -0.45 -0.00 0.00 0.00 0.07 0.00 0.00 56.30 55.91 1v7p h ASN 86 Cb 1.28 -0.12 0.00 0.00 -2.07 0.00 0.00 38.32 37.41 1v7p h ASN 86 CO 0.48 0.36 0.00 -0.90 0.07 0.00 0.00 177.43 177.44 1v7p n ASP 87 N -4.47 0.47 0.00 6.14 3.85 -1.26 -4.89 116.55 116.39 1v7p n ASP 87 Ca 0.08 -1.90 0.00 0.00 -0.71 0.00 0.00 54.79 52.26 1v7p n ASP 87 Cb 0.20 -0.05 0.00 0.00 -1.35 0.00 0.00 41.12 39.91 1v7p n ASP 87 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1v7p n GLY 88 N 0.69 2.18 3.78 6.12 0.00 -0.44 -5.04 105.19 112.48 1v7p n GLY 88 Ca 0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.73 1v7p n GLY 88 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1v7p s SER 89 N -3.08 5.73 0.31 1.61 1.04 -1.26 -4.68 113.70 113.37 1v7p s SER 89 Ca 0.00 2.12 -0.29 0.00 0.48 0.00 0.00 55.95 58.26 1v7p s SER 89 Cb 0.00 -2.57 -0.10 0.00 0.10 0.00 0.00 66.02 63.45 1v7p s SER 89 CO 0.00 -1.21 1.25 -0.54 0.98 0.00 0.00 173.24 173.72 1v7p s LYS 90 N -3.39 4.44 -0.17 4.02 -0.14 -1.26 -0.73 119.74 122.50 1v7p s LYS 90 Ca 0.71 2.09 -0.24 0.00 -1.36 0.00 0.00 55.97 57.17 1v7p s LYS 90 Cb -0.22 -3.11 -0.02 0.00 -1.68 0.00 0.00 37.83 32.80 1v7p s LYS 90 CO 0.28 -0.08 0.78 0.42 -0.76 0.00 0.00 175.35 175.99 1v7p s ILE 91 N -1.06 4.92 0.05 2.17 1.01 -0.60 -4.78 121.20 122.90 1v7p s ILE 91 Ca 0.48 1.53 0.00 0.00 0.00 0.00 0.00 60.65 62.66 1v7p s ILE 91 Cb -0.37 -4.09 0.00 0.00 0.01 0.00 0.00 42.46 38.01 1v7p s ILE 91 CO 0.49 0.05 0.00 -0.38 0.00 0.00 0.00 174.94 175.10 1v7p n ILE 92 N 4.69 0.13 -2.26 2.92 5.41 -1.26 -4.93 119.36 124.05 1v7p n ILE 92 Ca 0.03 0.04 -0.42 0.00 1.00 0.00 0.00 62.75 63.40 1v7p n ILE 92 Cb 0.49 -0.58 -0.03 0.00 -0.71 0.00 0.00 39.64 38.81 1v7p n ILE 92 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 176.55 176.08 1v7p s TYR 93 N -1.22 3.31 0.05 1.39 5.04 -1.26 -5.02 117.35 119.65 1v7p s TYR 93 Ca 0.00 1.17 -0.05 0.00 -2.44 0.00 0.00 57.07 55.75 1v7p s TYR 93 Cb 0.00 -3.57 -0.02 0.00 0.35 0.00 0.00 41.96 38.72 1v7p s TYR 93 CO 0.00 -1.84 0.08 0.14 -1.34 0.00 0.00 175.55 172.59 1v7p s VAL 94 N 0.65 0.15 -0.38 3.14 -7.23 -1.26 -5.10 120.40 110.38 1v7p s VAL 94 Ca 0.59 -1.24 0.12 0.00 -1.81 0.00 0.00 61.98 59.64 1v7p s VAL 94 Cb -0.35 -1.07 0.35 0.00 0.56 0.00 0.00 36.38 35.88 1v7p s VAL 94 CO 0.33 -0.69 0.81 -3.20 -0.31 0.00 0.00 175.10 172.05 1v7p n ASN 95 N 0.53 0.37 -4.75 4.85 5.15 -1.26 -5.11 115.26 115.04 1v7p n ASN 95 Ca -0.18 -3.08 -0.41 0.00 -0.60 0.00 0.00 54.58 50.31 1v7p n ASN 95 Cb 0.59 -0.21 -0.03 0.00 -0.53 0.00 0.00 39.78 39.60 1v7p n ASN 95 CO 0.00 0.00 0.00 0.26 1.40 0.00 0.00 177.26 178.92 1v7p s TRP 96 N -2.04 3.26 0.63 1.20 0.52 -1.26 -4.99 118.94 116.25 1v7p s TRP 96 Ca 0.36 1.38 -0.18 0.00 0.02 0.00 0.00 56.10 57.69 1v7p s TRP 96 Cb 0.35 -3.56 -0.02 0.00 -1.15 0.00 0.00 33.47 29.09 1v7p s TRP 96 CO -0.07 -1.59 1.20 0.21 0.02 0.00 0.00 176.95 176.72 1v7p s LYS 97 N -0.93 2.77 0.06 4.98 2.20 -1.26 -4.85 119.74 122.71 1v7p s LYS 97 Ca 0.52 1.79 -0.34 0.00 -0.36 0.00 0.00 55.97 57.57 1v7p s LYS 97 Cb -0.37 -1.91 -0.14 0.00 -1.51 0.00 0.00 37.83 33.91 1v7p s LYS 97 CO 0.44 -1.35 1.66 -0.85 -0.36 0.00 0.00 175.35 174.88 1v7p n GLU 98 N -1.89 2.03 0.00 4.03 0.00 -1.26 -1.25 120.64 122.30 1v7p n GLU 98 Ca 0.13 0.74 0.00 0.00 0.00 0.00 0.00 57.16 58.03 1v7p n GLU 98 Cb 0.50 -2.52 0.00 0.00 0.00 0.00 0.00 31.44 29.42 1v7p n GLU 98 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1v7p n GLY 99 N 3.67 0.28 0.11 -1.84 0.00 -1.26 -4.93 105.19 101.22 1v7p n GLY 99 Ca 0.19 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.33 1v7p n GLY 99 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1v7p n GLU 100 N -2.00 0.36 -3.18 1.61 -0.58 -0.38 -4.52 120.64 111.95 1v7p n GLU 100 Ca 0.00 -0.22 -0.40 0.00 -0.42 0.00 0.00 57.16 56.12 1v7p n GLU 100 Cb 0.00 -1.50 -0.07 0.00 -0.57 0.00 0.00 31.44 29.30 1v7p n GLU 100 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1v7p s SER 101 N -2.79 6.47 -0.50 1.62 0.15 -1.26 -4.97 113.70 112.42 1v7p s SER 101 Ca 0.16 0.50 0.03 0.00 0.70 0.00 0.00 55.95 57.34 1v7p s SER 101 Cb 0.18 -2.30 0.14 0.00 -1.71 0.00 0.00 66.02 62.33 1v7p s SER 101 CO 0.63 -0.36 0.28 -0.54 1.20 0.00 0.00 173.24 174.45 1v7p s LYS 102 N 2.43 1.66 0.00 5.44 1.02 -1.26 -4.29 119.74 124.74 1v7p s LYS 102 Ca 0.23 -2.40 0.14 0.00 0.02 0.00 0.00 55.97 53.97 1v7p s LYS 102 Cb -0.15 -2.77 0.38 0.00 -0.52 0.00 0.00 37.83 34.77 1v7p s LYS 102 CO 0.10 -1.17 1.31 -1.33 -0.92 0.00 0.00 175.35 173.34 1v7p n MET 103 N 3.16 2.66 -4.39 1.68 2.81 -1.16 -4.35 117.12 117.53 1v7p n MET 103 Ca 0.10 -2.16 -0.21 0.00 -1.81 0.00 0.00 57.70 53.62 1v7p n MET 103 Cb 0.34 -1.35 -0.10 0.00 -0.71 0.00 0.00 33.22 31.40 1v7p n MET 103 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1v7p s GLN 105 N -3.52 1.30 0.14 0.00 -0.21 -0.22 0.12 119.66 117.28 1v7p s GLN 105 Ca 0.25 -1.41 -0.11 0.00 0.02 0.00 0.00 55.36 54.10 1v7p s GLN 105 Cb -0.03 -1.42 0.01 0.00 1.00 0.00 0.00 33.01 32.57 1v7p s GLN 105 CO 0.10 0.29 0.32 0.20 -2.12 0.00 0.00 175.29 174.08 1v7p s GLY 106 N -2.62 0.18 0.34 3.09 0.00 -0.82 -2.58 107.32 104.90 1v7p s GLY 106 Ca 0.16 -0.59 -0.27 0.00 0.00 0.00 0.00 44.72 44.02 1v7p s GLY 106 CO 0.07 -0.66 1.16 1.08 0.00 0.00 0.00 173.10 174.76 1v7p s LEU 107 N -2.90 4.38 -0.20 0.66 1.43 0.12 -2.05 118.68 120.11 1v7p s LEU 107 Ca 0.11 2.36 -0.10 0.00 -1.03 0.00 0.00 54.13 55.47 1v7p s LEU 107 Cb 0.03 -3.81 -0.05 0.00 0.03 0.00 0.00 46.19 42.39 1v7p s LEU 107 CO -0.05 -0.43 0.15 0.42 0.23 0.00 0.00 176.35 176.67 1v7p s THR 108 N -1.28 5.40 0.28 5.49 -4.23 -0.48 -2.29 115.64 118.52 1v7p s THR 108 Ca 0.51 0.21 -0.03 0.00 -1.18 0.00 0.00 61.69 61.20 1v7p s THR 108 Cb -0.32 -3.49 0.21 0.00 1.34 0.00 0.00 72.50 70.24 1v7p s THR 108 CO 0.42 0.42 1.89 0.50 -0.54 0.00 0.00 174.62 177.31 1v7p h LYS 109 N 6.81 1.04 0.00 3.99 3.64 -1.62 0.15 116.57 130.58 1v7p h LYS 109 Ca -0.41 -0.13 0.00 0.00 -1.27 0.00 0.00 60.65 58.85 1v7p h LYS 109 Cb 1.15 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.77 1v7p h LYS 109 CO 0.74 0.78 0.00 -2.67 -2.27 0.00 0.00 179.45 176.03 1v7p n TRP 110 N -4.34 0.01 -1.04 1.91 2.14 -1.26 -0.43 117.44 114.43 1v7p n TRP 110 Ca 0.07 0.01 0.08 0.00 2.07 0.00 0.00 57.50 59.73 1v7p n TRP 110 Cb 0.12 -0.51 0.23 0.00 -0.81 0.00 0.00 31.31 30.34 1v7p n TRP 110 CO 0.00 0.00 0.00 0.25 2.07 0.00 0.00 177.69 180.01 1v7p n THR 111 N -1.51 2.22 -2.88 -1.67 -2.24 -0.95 -4.93 114.28 102.32 1v7p n THR 111 Ca 0.02 -2.02 -0.22 0.00 -2.27 0.00 0.00 64.05 59.56 1v7p n THR 111 Cb 0.09 -0.26 0.02 0.00 -2.10 0.00 0.00 70.33 68.08 1v7p n THR 111 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1v7p n ASN 112 N -0.76 -5.80 -1.82 3.42 3.02 0.43 -2.40 115.26 111.36 1v7p n ASN 112 Ca 0.21 -0.21 -0.14 0.00 -0.03 0.00 0.00 54.58 54.41 1v7p n ASN 112 Cb 0.85 -4.73 0.01 0.00 -0.61 0.00 0.00 39.78 35.29 1v7p n ASN 112 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 1v7p n PHE 113 N -4.30 -0.98 -0.12 3.10 0.99 0.49 -4.85 117.46 111.79 1v7p n PHE 113 Ca -0.14 0.17 -0.22 0.00 -0.00 0.00 0.00 57.45 57.26 1v7p n PHE 113 Cb 0.63 -3.14 -0.12 0.00 -1.00 0.00 0.00 39.48 35.86 1v7p n PHE 113 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.76 177.48 1v7p n HIS 114 N -4.05 0.15 -2.93 1.38 8.25 -1.01 -4.40 115.22 112.61 1v7p n HIS 114 Ca -0.12 0.04 -0.21 0.00 -0.26 0.00 0.00 57.72 57.18 1v7p n HIS 114 Cb 0.60 -1.02 0.02 0.00 1.12 0.00 0.00 29.99 30.71 1v7p n HIS 114 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1v7p s ASP 115 N -6.88 5.61 0.25 0.41 1.01 -1.26 -4.94 116.67 110.86 1v7p s ASP 115 Ca -0.35 -0.02 0.11 0.00 0.71 0.00 0.00 52.55 53.00 1v7p s ASP 115 Cb 0.11 -1.09 -0.05 0.00 1.01 0.00 0.00 42.92 42.90 1v7p s ASP 115 CO 0.58 -0.84 -0.16 0.26 0.21 0.00 0.00 175.17 175.22 1v7p s TRP 116 N -2.54 2.41 -0.00 4.23 0.51 -1.26 -1.38 118.94 120.91 1v7p s TRP 116 Ca 0.52 -0.30 -0.02 0.00 -2.12 0.00 0.00 56.10 54.18 1v7p s TRP 116 Cb -0.10 -1.10 -0.00 0.00 -0.81 0.00 0.00 33.47 31.46 1v7p s TRP 116 CO 0.36 0.63 0.04 1.21 -0.51 0.00 0.00 176.95 178.68 1v7p s ASN 117 N -3.27 0.07 -0.09 2.95 2.47 -0.87 -4.92 114.94 111.27 1v7p s ASN 117 Ca 0.28 -0.17 -0.25 0.00 0.42 0.00 0.00 52.86 53.13 1v7p s ASN 117 Cb -0.06 0.12 -0.03 0.00 -1.45 0.00 0.00 41.25 39.83 1v7p s ASN 117 CO 0.15 -0.19 0.79 0.54 -3.72 0.00 0.00 177.10 174.67 1v7p s ASN 118 N -0.77 7.04 0.37 -4.21 4.22 -1.26 -1.95 114.94 118.38 1v7p s ASN 118 Ca -0.09 1.26 0.04 0.00 -2.14 0.00 0.00 52.86 51.94 1v7p s ASN 118 Cb -0.05 -2.45 -0.02 0.00 1.28 0.00 0.00 41.25 40.01 1v7p s ASN 118 CO -0.00 -0.23 0.16 2.30 -2.04 0.00 0.00 177.10 177.29 1v7p n ILE 119 N 4.11 0.00 -2.10 0.54 -5.35 0.32 -4.89 119.36 111.99 1v7p n ILE 119 Ca 0.02 -2.26 -0.43 0.00 -0.27 0.00 0.00 62.75 59.80 1v7p n ILE 119 Cb 0.50 0.87 -0.03 0.00 -1.74 0.00 0.00 39.64 39.25 1v7p n ILE 119 CO 0.00 0.00 0.00 0.21 -1.76 0.00 0.00 176.55 175.00 1v7p s ASN 120 N -3.35 6.22 0.54 7.28 2.47 -1.26 -2.70 114.94 124.14 1v7p s ASN 120 Ca 0.23 1.44 0.26 0.00 0.42 0.00 0.00 52.86 55.20 1v7p s ASN 120 Cb 0.01 -2.53 1.44 0.00 -1.45 0.00 0.00 41.25 38.72 1v7p s ASN 120 CO 0.16 -1.42 2.00 0.00 -3.72 0.00 0.00 177.10 174.12 1v7p n GLU 122 N -4.23 0.21 -2.17 0.00 -0.58 -1.26 -1.09 120.64 111.51 1v7p n GLU 122 Ca 0.08 0.23 -0.33 0.00 -0.42 0.00 0.00 57.16 56.72 1v7p n GLU 122 Cb 0.57 -1.77 0.00 0.00 -0.57 0.00 0.00 31.44 29.67 1v7p n GLU 122 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1v7p s ASP 123 N -4.23 5.89 -0.22 1.62 1.01 -0.41 -4.69 116.67 115.63 1v7p s ASP 123 Ca 0.10 1.87 -0.13 0.00 0.71 0.00 0.00 52.55 55.10 1v7p s ASP 123 Cb 0.13 -2.54 -0.04 0.00 1.01 0.00 0.00 42.92 41.47 1v7p s ASP 123 CO 0.54 -1.09 0.28 -0.76 0.21 0.00 0.00 175.17 174.34 1v7p s LEU 124 N -4.22 4.14 0.05 1.23 1.43 -1.26 -3.80 118.68 116.25 1v7p s LEU 124 Ca 0.65 0.32 -0.05 0.00 -1.03 0.00 0.00 54.13 54.02 1v7p s LEU 124 Cb -0.17 -2.31 -0.02 0.00 0.03 0.00 0.00 46.19 43.73 1v7p s LEU 124 CO 0.32 0.00 0.08 -0.31 0.23 0.00 0.00 176.35 176.68 1v7p s TYR 125 N 1.14 0.28 0.99 0.29 2.02 -0.76 -4.72 117.35 116.60 1v7p s TYR 125 Ca 0.13 -0.68 -0.12 0.00 -0.37 0.00 0.00 57.07 56.03 1v7p s TYR 125 Cb -0.14 -0.19 0.18 0.00 -0.40 0.00 0.00 41.96 41.41 1v7p s TYR 125 CO 0.06 -0.42 1.09 -1.25 -1.57 0.00 0.00 175.55 173.46 1v7p s PRO 126 N -3.30 0.50 0.36 -1.71 0.04 -1.26 -1.83 135.00 127.80 1v7p s PRO 126 Ca 0.01 0.60 -0.07 0.00 0.04 0.00 0.00 61.00 61.58 1v7p s PRO 126 Cb 0.03 -1.74 0.03 0.00 0.04 0.00 0.00 34.50 32.86 1v7p s PRO 126 CO -0.08 -2.70 0.60 1.97 0.04 0.00 0.00 177.00 176.82 1v7p n PHE 127 N -4.17 -1.80 -4.31 0.56 1.16 -0.52 -1.58 117.46 106.79 1v7p n PHE 127 Ca 0.05 -2.07 -0.21 0.00 -1.87 0.00 0.00 57.45 53.35 1v7p n PHE 127 Cb 0.57 0.69 -0.16 0.00 -1.61 0.00 0.00 39.48 38.96 1v7p n PHE 127 CO 0.00 0.00 0.00 0.08 -1.87 0.00 0.00 176.76 174.97 1v7p s VAL 128 N -2.52 0.72 0.13 1.97 1.01 -1.23 -0.17 120.40 120.31 1v7p s VAL 128 Ca 0.23 -0.24 0.04 0.00 0.00 0.00 0.00 61.98 62.00 1v7p s VAL 128 Cb -0.03 -0.70 -0.04 0.00 0.00 0.00 0.00 36.38 35.61 1v7p s VAL 128 CO 0.16 0.26 0.16 0.00 0.00 0.00 0.00 175.10 175.69 1v7p s LYS 130 N -2.93 0.53 0.10 0.00 2.20 -0.28 -1.81 119.74 117.55 1v7p s LYS 130 Ca 0.32 -0.16 -0.25 0.00 -0.36 0.00 0.00 55.97 55.52 1v7p s LYS 130 Cb -0.11 0.23 0.08 0.00 -1.51 0.00 0.00 37.83 36.52 1v7p s LYS 130 CO 0.25 -0.13 0.68 -0.59 -0.36 0.00 0.00 175.35 175.20 1v7p s PHE 131 N -1.07 -0.51 -0.10 4.03 -0.71 -0.83 -2.00 117.98 116.79 1v7p s PHE 131 Ca -0.11 0.39 -0.30 0.00 -1.04 0.00 0.00 56.93 55.87 1v7p s PHE 131 Cb -0.05 0.54 -0.02 0.00 -1.21 0.00 0.00 43.02 42.27 1v7p s PHE 131 CO 0.03 -0.75 1.18 -1.12 -1.34 0.00 0.00 175.22 173.21 1v7p s SER 132 N -2.49 7.05 0.52 1.98 0.01 -1.26 -0.60 113.70 118.91 1v7p s SER 132 Ca 0.01 1.71 -0.21 0.00 1.31 0.00 0.00 55.95 58.77 1v7p s SER 132 Cb -0.01 -2.55 -0.06 0.00 0.21 0.00 0.00 66.02 63.61 1v7p s SER 132 CO -0.09 -0.62 1.17 0.00 0.41 0.00 0.00 173.24 174.11 1v7p s ALA 133 N 2.59 2.78 0.00 1.44 0.00 -0.07 -4.89 121.76 123.61 1v7p s ALA 133 Ca 0.54 0.92 0.00 0.00 0.00 0.00 0.00 51.96 53.42 1v7p s ALA 133 Cb -0.22 -3.39 0.00 0.00 0.00 0.00 0.00 23.12 19.50 1v7p s ALA 133 CO 0.18 -0.82 0.07 1.55 0.00 0.00 0.00 175.76 176.74