#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1oqe s THR 2 N 0.00 0.52 -0.43 2.52 -4.23 -1.26 -5.13 115.64 107.63 1oqe s THR 2 Ca 0.00 -1.96 -0.12 0.00 -1.18 0.00 0.00 61.69 58.43 1oqe s THR 2 Cb 0.00 -2.10 0.06 0.00 1.34 0.00 0.00 72.50 71.80 1oqe s THR 2 CO 0.00 -0.47 0.30 -1.10 -0.54 0.00 0.00 174.62 172.81 1oqe s GLN 3 N -3.95 2.82 0.68 3.99 -0.21 -1.26 -4.94 119.66 116.78 1oqe s GLN 3 Ca 0.24 -1.29 -0.15 0.00 0.02 0.00 0.00 55.36 54.18 1oqe s GLN 3 Cb 0.07 -3.91 0.01 0.00 1.00 0.00 0.00 33.01 30.18 1oqe s GLN 3 CO 0.03 -0.90 1.15 -0.51 -2.12 0.00 0.00 175.29 172.95 1oqe s ASP 4 N 2.10 4.79 -0.10 5.90 1.11 -1.26 -4.77 116.67 124.43 1oqe s ASP 4 Ca 0.03 2.17 -0.30 0.00 0.18 0.00 0.00 52.55 54.64 1oqe s ASP 4 Cb -0.22 -2.57 0.12 0.00 1.07 0.00 0.00 42.92 41.31 1oqe s ASP 4 CO 0.06 -1.85 0.95 0.00 1.18 0.00 0.00 175.17 175.51 1oqe s LEU 6 N -1.67 0.92 -0.04 0.00 0.20 -0.47 -0.60 118.68 117.03 1oqe s LEU 6 Ca 0.01 0.16 0.06 0.00 0.69 0.00 0.00 54.13 55.05 1oqe s LEU 6 Cb -0.01 0.13 -0.01 0.00 -0.43 0.00 0.00 46.19 45.87 1oqe s LEU 6 CO -0.02 -0.14 -0.24 -1.58 -0.29 0.00 0.00 176.35 174.08 1oqe s GLN 7 N 1.10 2.22 0.11 1.98 0.74 -0.37 -1.51 119.66 123.93 1oqe s GLN 7 Ca -0.09 -0.85 0.08 0.00 0.05 0.00 0.00 55.36 54.54 1oqe s GLN 7 Cb -0.12 -1.98 -0.04 0.00 1.10 0.00 0.00 33.01 31.97 1oqe s GLN 7 CO -0.04 0.42 -0.14 -0.51 -0.55 0.00 0.00 175.29 174.47 1oqe s LEU 8 N -0.31 2.89 0.02 3.68 1.02 0.28 -0.64 118.68 125.62 1oqe s LEU 8 Ca 0.02 -0.45 0.03 0.00 0.02 0.00 0.00 54.13 53.74 1oqe s LEU 8 Cb -0.12 -1.71 -0.02 0.00 0.02 0.00 0.00 46.19 44.37 1oqe s LEU 8 CO 0.02 0.18 -0.10 -0.63 0.02 0.00 0.00 176.35 175.84 1oqe s ILE 9 N -1.17 0.78 0.33 -0.59 1.01 0.55 -1.41 121.20 120.69 1oqe s ILE 9 Ca 0.20 -0.76 -0.29 0.00 0.00 0.00 0.00 60.65 59.80 1oqe s ILE 9 Cb -0.11 -0.72 -0.12 0.00 0.01 0.00 0.00 42.46 41.52 1oqe s ILE 9 CO 0.12 -0.02 1.44 0.00 0.00 0.00 0.00 174.94 176.48 1oqe n ALA 10 N 2.18 1.91 -3.46 9.38 0.00 -0.93 -0.24 120.51 129.34 1oqe n ALA 10 Ca -0.17 0.36 -0.43 0.00 0.00 0.00 0.00 53.44 53.20 1oqe n ALA 10 Cb 0.56 -2.36 -0.06 0.00 0.00 0.00 0.00 19.45 17.59 1oqe n ALA 10 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1oqe s ASP 11 N 0.02 6.02 0.00 0.00 2.15 0.43 -4.13 116.67 121.16 1oqe s ASP 11 Ca 0.58 -2.18 0.06 0.00 0.43 0.00 0.00 52.55 51.44 1oqe s ASP 11 Cb -0.53 -2.09 0.26 0.00 -0.30 0.00 0.00 42.92 40.26 1oqe s ASP 11 CO 0.58 -0.67 1.16 -1.54 -0.17 0.00 0.00 175.17 174.53 1oqe n SER 12 N 4.60 0.00 -0.84 -0.34 3.41 -1.18 -2.64 113.62 116.64 1oqe n SER 12 Ca -0.03 0.45 0.10 0.00 -0.26 0.00 0.00 58.87 59.13 1oqe n SER 12 Cb 0.42 -0.47 0.27 0.00 -0.26 0.00 0.00 64.21 64.17 1oqe n SER 12 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1oqe n GLU 13 N -1.47 2.07 -4.05 4.33 1.02 -1.26 -4.88 120.64 116.40 1oqe n GLU 13 Ca 0.02 -1.64 -0.13 0.00 -0.02 0.00 0.00 57.16 55.39 1oqe n GLU 13 Cb 0.07 -1.41 -0.12 0.00 -0.02 0.00 0.00 31.44 29.96 1oqe n GLU 13 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1oqe s THR 14 N -1.53 0.42 0.66 2.62 -4.23 -1.08 -5.14 115.64 107.35 1oqe s THR 14 Ca 0.34 -0.90 -0.17 0.00 -1.18 0.00 0.00 61.69 59.78 1oqe s THR 14 Cb 0.18 -0.49 -0.00 0.00 1.34 0.00 0.00 72.50 73.53 1oqe s THR 14 CO 0.25 -0.33 1.21 -2.84 -0.54 0.00 0.00 174.62 172.38 1oqe s PRO 15 N -1.31 2.61 0.43 3.99 0.02 -1.26 -4.86 135.00 134.61 1oqe s PRO 15 Ca -0.09 1.79 -0.25 0.00 0.02 0.00 0.00 61.00 62.47 1oqe s PRO 15 Cb -0.09 -1.89 -0.08 0.00 0.02 0.00 0.00 34.50 32.47 1oqe s PRO 15 CO 0.00 -1.48 1.26 0.95 -0.33 0.00 0.00 177.00 177.39 1oqe s THR 16 N -1.78 2.75 -0.17 0.99 -4.23 -1.26 -4.68 115.64 107.26 1oqe s THR 16 Ca 0.76 0.63 -0.25 0.00 -1.18 0.00 0.00 61.69 61.65 1oqe s THR 16 Cb -0.30 -3.35 -0.02 0.00 1.34 0.00 0.00 72.50 70.18 1oqe s THR 16 CO 0.39 0.06 0.81 -0.63 -0.54 0.00 0.00 174.62 174.70 1oqe s ILE 17 N -1.35 4.90 -0.19 2.99 1.01 -0.33 -4.90 121.20 123.33 1oqe s ILE 17 Ca 0.60 1.58 -0.10 0.00 0.00 0.00 0.00 60.65 62.74 1oqe s ILE 17 Cb -0.35 -4.11 -0.05 0.00 0.01 0.00 0.00 42.46 37.96 1oqe s ILE 17 CO 0.44 0.05 0.13 -1.10 0.00 0.00 0.00 174.94 174.46 1oqe s GLN 18 N 2.05 4.10 -0.30 2.79 1.11 -1.26 -0.47 119.66 127.68 1oqe s GLN 18 Ca 0.37 -0.21 -0.07 0.00 0.01 0.00 0.00 55.36 55.46 1oqe s GLN 18 Cb -0.17 -3.39 0.16 0.00 -1.01 0.00 0.00 33.01 28.61 1oqe s GLN 18 CO 0.13 0.35 0.69 0.21 0.01 0.00 0.00 175.29 176.67 1oqe s LYS 19 N 0.20 0.53 -1.23 2.91 2.20 -0.69 -5.00 119.74 118.66 1oqe s LYS 19 Ca 0.09 1.15 -0.12 0.00 -0.36 0.00 0.00 55.97 56.72 1oqe s LYS 19 Cb -0.11 0.67 -0.01 0.00 -1.51 0.00 0.00 37.83 36.87 1oqe s LYS 19 CO -0.01 -0.36 0.68 0.41 -0.36 0.00 0.00 175.35 175.71 1oqe n GLY 20 N 5.40 -0.68 2.59 5.54 0.00 -1.26 -1.81 105.19 114.96 1oqe n GLY 20 Ca -0.07 0.33 -0.12 0.00 0.00 0.00 0.00 46.02 46.16 1oqe n GLY 20 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1oqe n SER 21 N -2.83 -5.15 -4.36 1.61 3.41 -1.26 -4.99 113.62 100.05 1oqe n SER 21 Ca -0.18 0.29 -0.26 0.00 -0.26 0.00 0.00 58.87 58.46 1oqe n SER 21 Cb 0.63 -3.67 -0.12 0.00 -0.26 0.00 0.00 64.21 60.78 1oqe n SER 21 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 1oqe s TYR 22 N -2.18 2.08 -0.10 7.33 1.51 -0.75 -2.90 117.35 122.32 1oqe s TYR 22 Ca 0.00 -0.40 0.01 0.00 -1.01 0.00 0.00 57.07 55.67 1oqe s TYR 22 Cb 0.00 -1.09 -0.02 0.00 -0.11 0.00 0.00 41.96 40.74 1oqe s TYR 22 CO 0.00 0.34 -0.14 0.99 -1.11 0.00 0.00 175.55 175.63 1oqe s THR 23 N -1.40 2.98 -0.11 -0.71 2.01 0.81 -1.70 115.64 117.52 1oqe s THR 23 Ca 0.14 -0.71 0.03 0.00 0.31 0.00 0.00 61.69 61.46 1oqe s THR 23 Cb -0.09 -2.22 -0.00 0.00 0.01 0.00 0.00 72.50 70.20 1oqe s THR 23 CO 0.07 0.55 -0.22 -0.36 -0.69 0.00 0.00 174.62 173.96 1oqe s PHE 24 N 0.04 2.61 0.22 4.92 0.40 0.38 -1.38 117.98 125.17 1oqe s PHE 24 Ca -0.05 -1.00 -0.30 0.00 -0.60 0.00 0.00 56.93 54.98 1oqe s PHE 24 Cb -0.14 -1.74 -0.09 0.00 0.51 0.00 0.00 43.02 41.55 1oqe s PHE 24 CO 0.04 -0.40 1.31 0.08 0.70 0.00 0.00 175.22 176.95 1oqe s VAL 25 N 0.39 3.11 -0.41 -0.44 1.01 -1.26 -1.18 120.40 121.62 1oqe s VAL 25 Ca -0.16 0.95 -0.29 0.00 0.00 0.00 0.00 61.98 62.47 1oqe s VAL 25 Cb -0.17 -3.60 0.02 0.00 0.00 0.00 0.00 36.38 32.62 1oqe s VAL 25 CO 0.07 0.16 1.19 -2.84 0.00 0.00 0.00 175.10 173.68 1oqe s PRO 26 N -0.42 3.81 0.28 2.72 0.02 -1.26 -4.88 135.00 135.27 1oqe s PRO 26 Ca 0.55 0.84 -0.08 0.00 0.02 0.00 0.00 61.00 62.34 1oqe s PRO 26 Cb -0.37 -3.88 -0.06 0.00 0.02 0.00 0.00 34.50 30.21 1oqe s PRO 26 CO 0.41 -1.26 0.58 -1.58 -0.33 0.00 0.00 177.00 174.82 1oqe s TRP 27 N 4.40 3.45 0.00 6.54 0.52 -1.26 -0.43 118.94 132.17 1oqe s TRP 27 Ca 0.51 0.79 0.02 0.00 0.02 0.00 0.00 56.10 57.44 1oqe s TRP 27 Cb -0.11 -2.21 -0.01 0.00 -1.15 0.00 0.00 33.47 29.99 1oqe s TRP 27 CO 0.27 0.17 -0.08 -1.17 0.02 0.00 0.00 176.95 176.16 1oqe s LEU 28 N -3.31 2.05 0.12 2.99 2.96 0.67 -4.73 118.68 119.43 1oqe s LEU 28 Ca 0.46 -0.20 -0.31 0.00 -0.22 0.00 0.00 54.13 53.86 1oqe s LEU 28 Cb -0.11 -0.37 -0.09 0.00 0.50 0.00 0.00 46.19 46.12 1oqe s LEU 28 CO 0.27 0.05 1.50 -0.22 -1.32 0.00 0.00 176.35 176.64 1oqe s LEU 29 N -0.40 4.37 -0.18 -0.68 2.96 -1.26 -0.33 118.68 123.15 1oqe s LEU 29 Ca 0.01 2.46 -0.16 0.00 -0.22 0.00 0.00 54.13 56.22 1oqe s LEU 29 Cb -0.04 -3.59 -0.12 0.00 0.50 0.00 0.00 46.19 42.94 1oqe s LEU 29 CO -0.00 -0.76 0.03 -0.24 -1.32 0.00 0.00 176.35 174.06 1oqe n SER 30 N 4.25 1.84 -3.57 3.68 2.88 0.18 -4.79 113.62 118.09 1oqe n SER 30 Ca 0.13 0.50 -0.10 0.00 -1.33 0.00 0.00 58.87 58.07 1oqe n SER 30 Cb 0.40 -0.92 -0.05 0.00 -0.75 0.00 0.00 64.21 62.89 1oqe n SER 30 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 1oqe s PHE 31 N -2.33 -0.37 -0.05 0.66 -0.12 -1.04 -4.99 117.98 109.74 1oqe s PHE 31 Ca -0.24 0.61 0.03 0.00 -0.05 0.00 0.00 56.93 57.28 1oqe s PHE 31 Cb 0.05 0.45 0.01 0.00 -0.63 0.00 0.00 43.02 42.90 1oqe s PHE 31 CO 0.44 -0.35 -0.13 0.21 -0.05 0.00 0.00 175.22 175.34 1oqe s LYS 32 N -1.22 1.59 -0.08 1.99 2.20 -1.26 -1.24 119.74 121.72 1oqe s LYS 32 Ca -0.01 -0.44 -0.01 0.00 -0.36 0.00 0.00 55.97 55.15 1oqe s LYS 32 Cb -0.00 -1.35 0.03 0.00 -1.51 0.00 0.00 37.83 34.99 1oqe s LYS 32 CO 0.01 0.10 -0.02 0.50 -0.36 0.00 0.00 175.35 175.57 1oqe s ARG 33 N 0.43 0.87 0.81 4.03 3.52 0.23 -5.02 118.95 123.82 1oqe s ARG 33 Ca -0.10 -0.01 0.00 0.00 -0.13 0.00 0.00 55.73 55.49 1oqe s ARG 33 Cb -0.13 -1.10 0.00 0.00 -1.56 0.00 0.00 34.95 32.15 1oqe s ARG 33 CO 0.03 -0.26 0.00 0.41 -0.81 0.00 0.00 175.30 174.67 1oqe n GLY 34 N 4.92 -1.77 0.00 8.12 0.00 -1.26 -1.19 105.19 114.00 1oqe n GLY 34 Ca -0.11 -1.70 0.00 0.00 0.00 0.00 0.00 46.02 44.21 1oqe n GLY 34 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1oqe n SER 35 N 0.17 2.98 0.28 1.61 3.41 -1.26 -4.75 113.62 116.07 1oqe n SER 35 Ca 0.00 -0.18 0.14 0.00 -0.26 0.00 0.00 58.87 58.57 1oqe n SER 35 Cb 0.00 0.96 0.87 0.00 -0.26 0.00 0.00 64.21 65.78 1oqe n SER 35 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1oqe h ALA 36 N 0.00 1.63 -4.20 7.33 0.00 -1.93 -3.43 119.26 118.65 1oqe h ALA 36 Ca 0.00 -0.00 -0.51 0.00 0.00 0.00 0.00 54.91 54.40 1oqe h ALA 36 Cb 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 17.79 17.50 1oqe h ALA 36 CO 0.00 -0.02 -0.82 -0.51 0.00 0.00 0.00 179.25 177.90 1oqe s LEU 37 N -7.92 2.05 0.08 0.00 1.43 -1.26 -0.29 118.68 112.78 1oqe s LEU 37 Ca -0.05 -0.31 0.01 0.00 -1.03 0.00 0.00 54.13 52.75 1oqe s LEU 37 Cb 0.15 -0.79 -0.04 0.00 0.03 0.00 0.00 46.19 45.54 1oqe s LEU 37 CO 0.57 0.18 -0.06 -1.61 0.23 0.00 0.00 176.35 175.66 1oqe s GLU 38 N -0.47 0.76 -0.09 1.70 2.02 -0.45 -4.89 118.70 117.28 1oqe s GLU 38 Ca 0.06 -1.27 -0.08 0.00 0.02 0.00 0.00 54.97 53.70 1oqe s GLU 38 Cb -0.06 -0.11 -0.04 0.00 0.10 0.00 0.00 34.13 34.02 1oqe s GLU 38 CO -0.00 -0.04 0.19 -1.83 0.02 0.00 0.00 175.26 173.60 1oqe s GLU 39 N -3.71 3.51 -0.22 1.61 -1.05 -1.26 0.36 118.70 117.94 1oqe s GLU 39 Ca 0.09 -0.07 -0.05 0.00 -0.15 0.00 0.00 54.97 54.80 1oqe s GLU 39 Cb 0.05 -3.18 0.11 0.00 -0.44 0.00 0.00 34.13 30.67 1oqe s GLU 39 CO -0.06 0.75 0.40 0.21 0.95 0.00 0.00 175.26 177.52 1oqe s LYS 40 N -1.14 0.34 -1.35 -4.83 2.20 0.25 -4.85 119.74 110.35 1oqe s LYS 40 Ca 0.18 0.78 -0.04 0.00 -0.36 0.00 0.00 55.97 56.53 1oqe s LYS 40 Cb -0.13 -0.07 -0.00 0.00 -1.51 0.00 0.00 37.83 36.13 1oqe s LYS 40 CO 0.07 -0.45 0.49 0.39 -0.36 0.00 0.00 175.35 175.49 1oqe n GLU 41 N 5.38 -2.98 -1.26 4.03 1.02 -1.26 -0.87 120.64 124.70 1oqe n GLU 41 Ca -0.06 0.41 -0.09 0.00 -0.02 0.00 0.00 57.16 57.41 1oqe n GLU 41 Cb 0.50 -4.45 -0.04 0.00 -0.02 0.00 0.00 31.44 27.43 1oqe n GLU 41 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1oqe n ASN 42 N -2.92 -4.62 -4.35 1.62 4.05 -1.26 -4.99 115.26 102.80 1oqe n ASN 42 Ca -0.27 0.22 -0.21 0.00 0.45 0.00 0.00 54.58 54.77 1oqe n ASN 42 Cb 0.67 -2.91 -0.10 0.00 1.23 0.00 0.00 39.78 38.67 1oqe n ASN 42 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 177.26 173.67 1oqe s LYS 43 N -2.53 1.65 -0.24 1.20 1.02 -0.05 -4.86 119.74 115.93 1oqe s LYS 43 Ca 0.00 -1.93 -0.07 0.00 0.02 0.00 0.00 55.97 53.99 1oqe s LYS 43 Cb 0.00 -0.66 -0.03 0.00 -0.52 0.00 0.00 37.83 36.63 1oqe s LYS 43 CO 0.00 -0.28 0.05 0.42 -0.92 0.00 0.00 175.35 174.63 1oqe s ILE 44 N -3.40 4.16 -0.18 2.17 1.01 -0.33 -0.58 121.20 124.06 1oqe s ILE 44 Ca 0.34 -0.22 -0.13 0.00 0.00 0.00 0.00 60.65 60.64 1oqe s ILE 44 Cb 0.07 -2.94 -0.05 0.00 0.01 0.00 0.00 42.46 39.56 1oqe s ILE 44 CO 0.15 0.36 0.24 -0.22 0.00 0.00 0.00 174.94 175.46 1oqe s LEU 45 N 1.57 4.23 -0.13 2.97 2.96 0.16 -0.28 118.68 130.16 1oqe s LEU 45 Ca 0.06 0.41 -0.22 0.00 -0.22 0.00 0.00 54.13 54.17 1oqe s LEU 45 Cb -0.15 -2.28 -0.03 0.00 0.50 0.00 0.00 46.19 44.23 1oqe s LEU 45 CO 0.02 0.12 0.64 -0.69 -1.32 0.00 0.00 176.35 175.12 1oqe s VAL 46 N 0.47 5.06 -0.58 1.68 1.01 -0.25 -1.35 120.40 126.44 1oqe s VAL 46 Ca 0.14 1.27 0.12 0.00 0.00 0.00 0.00 61.98 63.51 1oqe s VAL 46 Cb -0.12 -3.97 -0.14 0.00 0.00 0.00 0.00 36.38 32.15 1oqe s VAL 46 CO 0.02 0.21 0.53 0.29 0.00 0.00 0.00 175.10 176.14 1oqe n LYS 47 N 4.27 2.77 -3.73 2.72 4.76 0.61 -0.46 118.16 129.11 1oqe n LYS 47 Ca -0.02 -0.00 -0.16 0.00 -2.87 0.00 0.00 58.31 55.26 1oqe n LYS 47 Cb 0.51 -1.10 -0.16 0.00 -1.84 0.00 0.00 35.03 32.44 1oqe n LYS 47 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 1oqe s GLU 48 N -2.21 0.00 0.53 1.97 2.02 -1.24 -4.78 118.70 115.00 1oqe s GLU 48 Ca 0.04 0.35 -0.19 0.00 0.02 0.00 0.00 54.97 55.19 1oqe s GLU 48 Cb 0.09 -0.28 -0.06 0.00 0.10 0.00 0.00 34.13 33.98 1oqe s GLU 48 CO 0.52 -0.22 1.07 0.95 0.02 0.00 0.00 175.26 177.59 1oqe s THR 49 N 1.53 3.64 -4.39 3.63 -4.23 -1.26 -4.56 115.64 110.00 1oqe s THR 49 Ca -0.04 0.94 0.00 0.00 -1.18 0.00 0.00 61.69 61.41 1oqe s THR 49 Cb -0.12 -3.38 0.00 0.00 1.34 0.00 0.00 72.50 70.34 1oqe s THR 49 CO -0.04 -0.30 0.00 0.61 -0.54 0.00 0.00 174.62 174.35 1oqe n GLY 50 N -0.37 -0.61 3.66 3.99 0.00 -0.23 -4.94 105.19 106.68 1oqe n GLY 50 Ca 0.10 -1.07 -0.35 0.00 0.00 0.00 0.00 46.02 44.70 1oqe n GLY 50 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1oqe s TYR 51 N -3.00 3.30 0.08 1.61 1.51 -1.26 -1.22 117.35 118.36 1oqe s TYR 51 Ca 0.00 0.14 0.08 0.00 -1.01 0.00 0.00 57.07 56.28 1oqe s TYR 51 Cb 0.00 -2.13 -0.03 0.00 -0.11 0.00 0.00 41.96 39.69 1oqe s TYR 51 CO 0.00 0.16 -0.21 -0.06 -1.11 0.00 0.00 175.55 174.33 1oqe s PHE 52 N 0.51 1.82 -0.27 2.71 0.40 -0.35 -1.07 117.98 121.73 1oqe s PHE 52 Ca 0.05 -0.40 -0.13 0.00 -0.60 0.00 0.00 56.93 55.85 1oqe s PHE 52 Cb -0.12 -1.04 -0.04 0.00 0.51 0.00 0.00 43.02 42.33 1oqe s PHE 52 CO 0.00 0.16 0.29 0.12 0.70 0.00 0.00 175.22 176.49 1oqe s PHE 53 N -0.99 3.25 -0.08 0.36 5.36 0.47 -1.46 117.98 124.89 1oqe s PHE 53 Ca 0.07 0.30 0.04 0.00 -0.96 0.00 0.00 56.93 56.38 1oqe s PHE 53 Cb -0.09 -2.48 -0.02 0.00 -0.34 0.00 0.00 43.02 40.09 1oqe s PHE 53 CO 0.03 -0.17 -0.18 0.42 -1.46 0.00 0.00 175.22 173.85 1oqe s ILE 54 N 1.86 2.65 0.07 3.12 1.01 0.22 -0.78 121.20 129.35 1oqe s ILE 54 Ca 0.12 -0.84 -0.04 0.00 0.00 0.00 0.00 60.65 59.88 1oqe s ILE 54 Cb -0.16 -2.04 -0.02 0.00 0.01 0.00 0.00 42.46 40.25 1oqe s ILE 54 CO 0.10 0.56 0.07 -0.72 0.00 0.00 0.00 174.94 174.95 1oqe s TYR 55 N -0.20 0.35 -0.10 3.97 -0.85 -0.57 -1.36 117.35 118.58 1oqe s TYR 55 Ca -0.01 -0.84 -0.30 0.00 -0.52 0.00 0.00 57.07 55.40 1oqe s TYR 55 Cb -0.13 -0.24 0.10 0.00 0.38 0.00 0.00 41.96 42.07 1oqe s TYR 55 CO 0.03 -0.45 0.86 0.20 -1.52 0.00 0.00 175.55 174.67 1oqe s GLY 56 N -2.87 -0.41 -0.02 5.49 0.00 -0.67 -1.25 107.32 107.58 1oqe s GLY 56 Ca 0.06 1.68 -0.04 0.00 0.00 0.00 0.00 44.72 46.41 1oqe s GLY 56 CO -0.10 0.96 0.10 1.62 0.00 0.00 0.00 173.10 175.68 1oqe s GLN 57 N -1.25 0.26 -0.00 2.90 0.74 0.04 -1.83 119.66 120.51 1oqe s GLN 57 Ca -0.05 -0.10 0.00 0.00 0.05 0.00 0.00 55.36 55.26 1oqe s GLN 57 Cb -0.00 0.11 0.00 0.00 1.10 0.00 0.00 33.01 34.22 1oqe s GLN 57 CO 0.04 -0.05 0.00 0.08 -0.55 0.00 0.00 175.29 174.82 1oqe s VAL 58 N -0.55 0.00 -0.36 1.34 1.01 -1.12 -0.97 120.40 119.75 1oqe s VAL 58 Ca -0.06 0.01 -0.13 0.00 0.00 0.00 0.00 61.98 61.79 1oqe s VAL 58 Cb -0.04 -0.01 -0.01 0.00 0.00 0.00 0.00 36.38 36.32 1oqe s VAL 58 CO 0.00 0.00 0.25 -0.22 0.00 0.00 0.00 175.10 175.14 1oqe s LEU 59 N 0.04 4.66 -0.08 3.92 0.20 -1.24 -1.68 118.68 124.49 1oqe s LEU 59 Ca -0.00 -0.57 -0.16 0.00 0.69 0.00 0.00 54.13 54.08 1oqe s LEU 59 Cb -0.00 -2.13 -0.05 0.00 -0.43 0.00 0.00 46.19 43.57 1oqe s LEU 59 CO -0.00 -0.29 0.43 -0.31 -0.29 0.00 0.00 176.35 175.88 1oqe s TYR 60 N 1.70 3.58 -0.16 5.38 1.51 0.19 -1.42 117.35 128.13 1oqe s TYR 60 Ca 0.06 0.89 0.18 0.00 -1.01 0.00 0.00 57.07 57.19 1oqe s TYR 60 Cb -0.18 -2.43 0.45 0.00 -0.11 0.00 0.00 41.96 39.69 1oqe s TYR 60 CO 0.10 0.35 1.18 0.25 -1.11 0.00 0.00 175.55 176.31 1oqe n THR 61 N 2.99 1.30 -4.53 -0.71 -2.24 -0.54 -1.72 114.28 108.82 1oqe n THR 61 Ca -0.10 -2.55 -0.34 0.00 -2.27 0.00 0.00 64.05 58.79 1oqe n THR 61 Cb 0.52 0.36 -0.12 0.00 -2.10 0.00 0.00 70.33 68.99 1oqe n THR 61 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1oqe s ASP 62 N -2.98 4.71 -0.20 3.42 3.68 -1.07 -4.78 116.67 119.46 1oqe s ASP 62 Ca 0.37 -0.07 0.07 0.00 2.13 0.00 0.00 52.55 55.04 1oqe s ASP 62 Cb 0.37 -1.47 0.50 0.00 -1.45 0.00 0.00 42.92 40.88 1oqe s ASP 62 CO -0.08 0.27 1.40 2.29 0.13 0.00 0.00 175.17 179.18 1oqe n LYS 63 N 2.82 2.96 0.00 4.34 2.85 -1.26 -4.68 118.16 125.19 1oqe n LYS 63 Ca -0.18 -2.00 0.00 0.00 -1.05 0.00 0.00 58.31 55.08 1oqe n LYS 63 Cb 0.53 -1.92 0.00 0.00 -0.65 0.00 0.00 35.03 32.99 1oqe n LYS 63 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 177.40 179.76 1oqe n THR 64 N 0.09 0.35 0.00 0.58 -1.04 -1.26 -4.80 114.28 108.20 1oqe n THR 64 Ca 0.25 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.26 1oqe n THR 64 Cb 0.99 -0.64 0.00 0.00 -1.82 0.00 0.00 70.33 68.86 1oqe n THR 64 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1oqe n TYR 65 N 0.74 0.00 -3.67 -1.42 0.18 -1.26 -4.69 117.16 107.03 1oqe n TYR 65 Ca 0.00 0.00 -0.09 0.00 1.88 0.00 0.00 57.90 59.69 1oqe n TYR 65 Cb 0.19 0.00 -0.10 0.00 -0.38 0.00 0.00 39.34 39.05 1oqe n TYR 65 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 1oqe s ALA 66 N 0.00 -1.09 0.24 -3.48 0.00 -1.26 -1.03 121.76 115.15 1oqe s ALA 66 Ca 0.00 1.49 0.06 0.00 0.00 0.00 0.00 51.96 53.51 1oqe s ALA 66 Cb 0.00 -1.17 -0.05 0.00 0.00 0.00 0.00 23.12 21.90 1oqe s ALA 66 CO 0.00 -0.57 -0.07 -1.64 0.00 0.00 0.00 175.76 173.48 1oqe s MET 67 N 2.16 1.42 0.00 0.00 -1.94 -0.37 -4.95 119.30 115.62 1oqe s MET 67 Ca -0.04 -1.69 0.00 0.00 -1.71 0.00 0.00 55.69 52.24 1oqe s MET 67 Cb -0.11 -1.01 0.00 0.00 2.01 0.00 0.00 34.83 35.73 1oqe s MET 67 CO -0.13 0.05 0.00 0.41 -0.01 0.00 0.00 175.02 175.34 1oqe n GLY 68 N -0.48 -0.18 3.19 -0.03 0.00 -1.26 -0.39 105.19 106.05 1oqe n GLY 68 Ca -0.06 -1.10 -0.12 0.00 0.00 0.00 0.00 46.02 44.74 1oqe n GLY 68 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1oqe s HIS 69 N -2.00 1.11 -0.01 1.61 -3.43 -1.06 -4.29 115.29 107.21 1oqe s HIS 69 Ca 0.00 -1.36 0.06 0.00 -0.80 0.00 0.00 55.06 52.96 1oqe s HIS 69 Cb 0.00 -0.55 -0.01 0.00 -1.43 0.00 0.00 32.58 30.59 1oqe s HIS 69 CO 0.00 -0.62 -0.19 -0.51 -2.00 0.00 0.00 174.74 171.42 1oqe s LEU 70 N -3.14 2.04 -0.29 5.38 1.43 0.11 -1.90 118.68 122.31 1oqe s LEU 70 Ca 0.37 -0.34 -0.08 0.00 -1.03 0.00 0.00 54.13 53.04 1oqe s LEU 70 Cb 0.07 -0.96 -0.01 0.00 0.03 0.00 0.00 46.19 45.32 1oqe s LEU 70 CO 0.10 0.23 0.12 -0.63 0.23 0.00 0.00 176.35 176.40 1oqe s ILE 71 N -0.45 4.38 0.20 -0.59 1.01 0.43 -0.56 121.20 125.62 1oqe s ILE 71 Ca 0.07 -0.44 0.10 0.00 0.00 0.00 0.00 60.65 60.38 1oqe s ILE 71 Cb -0.07 -3.20 -0.04 0.00 0.01 0.00 0.00 42.46 39.15 1oqe s ILE 71 CO -0.01 0.13 -0.14 -1.10 0.00 0.00 0.00 174.94 173.82 1oqe s GLN 72 N 1.58 1.88 -0.12 2.79 -0.21 0.21 -1.21 119.66 124.58 1oqe s GLN 72 Ca 0.04 -1.41 0.03 0.00 0.02 0.00 0.00 55.36 54.04 1oqe s GLN 72 Cb -0.17 -2.03 0.00 0.00 1.00 0.00 0.00 33.01 31.82 1oqe s GLN 72 CO 0.05 0.41 -0.21 0.50 -2.12 0.00 0.00 175.29 173.92 1oqe s ARG 73 N -2.94 3.10 -0.46 2.91 3.52 0.19 -1.75 118.95 123.53 1oqe s ARG 73 Ca 0.25 -0.83 -0.14 0.00 -0.13 0.00 0.00 55.73 54.88 1oqe s ARG 73 Cb -0.08 -2.43 0.07 0.00 -1.56 0.00 0.00 34.95 30.96 1oqe s ARG 73 CO 0.14 0.10 0.37 0.15 -0.81 0.00 0.00 175.30 175.25 1oqe s LYS 74 N 0.56 2.90 0.24 5.12 1.02 0.07 -0.74 119.74 128.90 1oqe s LYS 74 Ca -0.12 -1.37 -0.30 0.00 0.02 0.00 0.00 55.97 54.20 1oqe s LYS 74 Cb -0.17 -4.06 -0.10 0.00 -0.52 0.00 0.00 37.83 32.99 1oqe s LYS 74 CO 0.04 -1.01 1.41 0.15 -0.92 0.00 0.00 175.35 175.02 1oqe s LYS 75 N 1.60 4.30 0.11 1.68 1.02 0.46 -2.37 119.74 126.53 1oqe s LYS 75 Ca 0.04 2.24 -0.03 0.00 0.02 0.00 0.00 55.97 58.24 1oqe s LYS 75 Cb -0.24 -3.13 -0.19 0.00 -0.52 0.00 0.00 37.83 33.75 1oqe s LYS 75 CO 0.06 -0.38 1.23 0.28 -0.92 0.00 0.00 175.35 175.61 1oqe h VAL 76 N 3.59 1.47 -3.32 3.17 2.07 -1.88 -3.44 116.25 117.92 1oqe h VAL 76 Ca -0.46 -2.82 -0.65 0.00 0.82 0.00 0.00 66.70 63.59 1oqe h VAL 76 Cb 1.22 2.72 -0.25 0.00 -1.52 0.00 0.00 31.29 33.46 1oqe h VAL 76 CO 0.78 0.83 -0.72 -1.00 0.02 0.00 0.00 177.57 177.48 1oqe s HIS 77 N -2.92 2.91 -0.01 1.57 3.76 -1.26 -5.07 115.29 114.27 1oqe s HIS 77 Ca -0.04 -0.52 0.05 0.00 -0.15 0.00 0.00 55.06 54.39 1oqe s HIS 77 Cb 0.08 -1.92 -0.01 0.00 1.11 0.00 0.00 32.58 31.84 1oqe s HIS 77 CO 0.87 -0.17 -0.16 0.08 -0.85 0.00 0.00 174.74 174.51 1oqe s VAL 78 N 0.46 1.26 0.07 -0.90 1.01 -1.26 -5.04 120.40 116.00 1oqe s VAL 78 Ca -0.07 -0.71 0.08 0.00 0.00 0.00 0.00 61.98 61.29 1oqe s VAL 78 Cb -0.15 -1.06 -0.03 0.00 0.00 0.00 0.00 36.38 35.14 1oqe s VAL 78 CO 0.04 0.34 -0.22 -0.36 0.00 0.00 0.00 175.10 174.89 1oqe s PHE 79 N -0.40 1.95 0.00 5.22 0.40 -1.26 -5.01 117.98 118.87 1oqe s PHE 79 Ca 0.06 -0.39 0.00 0.00 -0.60 0.00 0.00 56.93 56.00 1oqe s PHE 79 Cb -0.06 -1.13 0.00 0.00 0.51 0.00 0.00 43.02 42.34 1oqe s PHE 79 CO -0.00 0.16 0.00 0.41 0.70 0.00 0.00 175.22 176.48 1oqe n GLY 80 N 1.53 2.56 1.71 4.36 0.00 -1.26 -0.90 105.19 113.19 1oqe n GLY 80 Ca -0.18 0.32 0.04 0.00 0.00 0.00 0.00 46.02 46.20 1oqe n GLY 80 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1oqe n ASP 81 N 4.01 5.09 -4.73 1.61 5.75 -1.26 -5.00 116.55 122.02 1oqe n ASP 81 Ca 0.00 -3.05 -0.33 0.00 -0.01 0.00 0.00 54.79 51.40 1oqe n ASP 81 Cb 0.00 -0.67 0.09 0.00 -1.03 0.00 0.00 41.12 39.51 1oqe n ASP 81 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 1oqe s GLU 82 N -2.86 2.13 -0.00 0.11 2.02 -0.08 -5.00 118.70 115.01 1oqe s GLU 82 Ca 0.52 1.59 -0.15 0.00 0.02 0.00 0.00 54.97 56.95 1oqe s GLU 82 Cb 0.41 -1.85 -0.06 0.00 0.10 0.00 0.00 34.13 32.73 1oqe s GLU 82 CO 0.14 -1.81 0.41 -0.51 0.02 0.00 0.00 175.26 173.51 1oqe s LEU 83 N -5.38 4.47 0.08 1.80 1.02 -1.26 -4.83 118.68 114.58 1oqe s LEU 83 Ca 0.70 0.97 0.27 0.00 0.02 0.00 0.00 54.13 56.09 1oqe s LEU 83 Cb -0.25 -2.60 0.81 0.00 0.02 0.00 0.00 46.19 44.17 1oqe s LEU 83 CO 0.47 0.31 1.67 -1.54 0.02 0.00 0.00 176.35 177.29 1oqe n SER 84 N 1.88 0.45 -4.26 2.29 3.41 -1.26 -4.65 113.62 111.49 1oqe n SER 84 Ca -0.14 0.30 -0.36 0.00 -0.26 0.00 0.00 58.87 58.42 1oqe n SER 84 Cb 0.52 -0.31 -0.13 0.00 -0.26 0.00 0.00 64.21 64.03 1oqe n SER 84 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1oqe s LEU 85 N -3.65 3.65 -0.13 1.04 1.98 -1.26 -0.40 118.68 119.91 1oqe s LEU 85 Ca 0.11 -0.90 -0.00 0.00 -2.89 0.00 0.00 54.13 50.45 1oqe s LEU 85 Cb 0.16 -1.77 -0.02 0.00 0.66 0.00 0.00 46.19 45.22 1oqe s LEU 85 CO 0.62 -0.19 -0.13 -0.69 -1.89 0.00 0.00 176.35 174.07 1oqe s VAL 86 N 1.38 3.10 -0.40 1.68 1.01 0.08 -4.95 120.40 122.30 1oqe s VAL 86 Ca 0.00 -0.65 -0.16 0.00 0.00 0.00 0.00 61.98 61.17 1oqe s VAL 86 Cb -0.18 -2.30 0.01 0.00 0.00 0.00 0.00 36.38 33.91 1oqe s VAL 86 CO -0.01 0.52 0.40 0.28 0.00 0.00 0.00 175.10 176.29 1oqe s THR 87 N 0.33 5.13 -0.02 3.92 -1.32 -1.26 0.55 115.64 122.96 1oqe s THR 87 Ca -0.10 -0.30 -0.19 0.00 -1.21 0.00 0.00 61.69 59.89 1oqe s THR 87 Cb -0.16 -3.97 -0.11 0.00 -1.51 0.00 0.00 72.50 66.76 1oqe s THR 87 CO 0.06 -0.32 0.79 -0.07 -2.21 0.00 0.00 174.62 172.86 1oqe h LEU 88 N 8.92 -0.51 -7.97 9.08 4.07 -1.52 -3.47 115.31 123.90 1oqe h LEU 88 Ca -0.27 -0.02 -0.35 0.00 0.08 0.00 0.00 57.88 57.31 1oqe h LEU 88 Cb 1.12 0.13 -0.28 0.00 1.08 0.00 0.00 40.66 42.71 1oqe h LEU 88 CO 0.76 -0.09 -0.76 -0.36 -1.08 0.00 0.00 178.44 176.91 1oqe s PHE 89 N -3.71 0.62 0.00 1.13 0.40 -1.18 -5.01 117.98 110.24 1oqe s PHE 89 Ca -0.10 -0.13 -0.06 0.00 -0.60 0.00 0.00 56.93 56.04 1oqe s PHE 89 Cb 0.01 -0.40 -0.00 0.00 0.51 0.00 0.00 43.02 43.14 1oqe s PHE 89 CO 0.32 -0.01 0.11 -0.98 0.70 0.00 0.00 175.22 175.35 1oqe s ARG 90 N -0.23 0.43 0.10 0.44 1.70 -1.26 -0.43 118.95 119.70 1oqe s ARG 90 Ca 0.02 -0.38 0.00 0.00 -0.47 0.00 0.00 55.73 54.90 1oqe s ARG 90 Cb -0.03 0.18 -0.04 0.00 -0.57 0.00 0.00 34.95 34.48 1oqe s ARG 90 CO -0.00 -0.10 -0.02 0.00 -1.08 0.00 0.00 175.30 174.10 1oqe s ILE 92 N -3.80 0.21 -0.05 0.00 1.01 -1.26 -2.58 121.20 114.74 1oqe s ILE 92 Ca 0.15 -0.49 0.01 0.00 0.00 0.00 0.00 60.65 60.32 1oqe s ILE 92 Cb 0.07 -0.25 0.02 0.00 0.01 0.00 0.00 42.46 42.31 1oqe s ILE 92 CO -0.04 -0.18 -0.03 -1.10 0.00 0.00 0.00 174.94 173.59 1oqe s GLN 93 N -0.71 0.72 0.38 2.79 -1.52 0.48 -4.98 119.66 116.82 1oqe s GLN 93 Ca -0.06 -0.04 -0.26 0.00 -1.95 0.00 0.00 55.36 53.05 1oqe s GLN 93 Cb -0.05 -0.82 -0.09 0.00 -0.22 0.00 0.00 33.01 31.84 1oqe s GLN 93 CO -0.00 -0.13 1.14 -0.80 -0.25 0.00 0.00 175.29 175.25 1oqe s ASN 94 N 1.12 6.67 0.02 5.90 0.01 -1.26 -1.23 114.94 126.17 1oqe s ASN 94 Ca -0.08 2.29 0.04 0.00 -0.71 0.00 0.00 52.86 54.40 1oqe s ASN 94 Cb -0.14 -2.61 -0.03 0.00 0.41 0.00 0.00 41.25 38.88 1oqe s ASN 94 CO -0.01 -0.57 -0.10 -0.04 -1.51 0.00 0.00 177.10 174.87 1oqe s MET 95 N -2.21 2.41 0.66 -0.60 -1.94 -0.20 -4.90 119.30 112.52 1oqe s MET 95 Ca 0.55 -0.80 -0.09 0.00 -1.71 0.00 0.00 55.69 53.64 1oqe s MET 95 Cb -0.29 -2.41 0.01 0.00 2.01 0.00 0.00 34.83 34.15 1oqe s MET 95 CO 0.37 0.58 1.02 -2.14 -0.01 0.00 0.00 175.02 174.84 1oqe s PRO 96 N -1.44 2.87 0.07 2.03 0.02 -1.26 -4.27 135.00 133.02 1oqe s PRO 96 Ca 0.16 0.26 0.02 0.00 0.02 0.00 0.00 61.00 61.47 1oqe s PRO 96 Cb -0.11 -2.12 -0.25 0.00 0.02 0.00 0.00 34.50 32.04 1oqe s PRO 96 CO 0.07 -0.90 1.11 1.49 -0.33 0.00 0.00 177.00 178.43 1oqe h GLU 97 N -0.46 0.13 0.00 5.54 4.57 -1.98 -3.39 114.58 118.98 1oqe h GLU 97 Ca -0.45 -0.22 0.00 0.00 -1.18 0.00 0.00 59.36 57.51 1oqe h GLU 97 Cb 1.26 0.08 0.00 0.00 -0.16 0.00 0.00 28.75 29.93 1oqe h GLU 97 CO 0.63 1.04 0.00 0.25 -1.18 0.00 0.00 179.01 179.75 1oqe n THR 98 N -3.40 0.00 -3.70 0.32 -2.24 -1.26 -4.75 114.28 99.25 1oqe n THR 98 Ca -0.07 0.26 -0.28 0.00 -2.27 0.00 0.00 64.05 61.69 1oqe n THR 98 Cb 0.99 -0.59 -0.10 0.00 -2.10 0.00 0.00 70.33 68.53 1oqe n THR 98 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1oqe n LEU 99 N -0.80 3.37 -4.55 3.22 4.77 -1.26 -5.06 117.00 116.69 1oqe n LEU 99 Ca 0.00 -5.32 -0.53 0.00 -0.03 0.00 0.00 56.01 50.13 1oqe n LEU 99 Cb 0.00 -0.73 -0.07 0.00 -2.33 0.00 0.00 43.42 40.29 1oqe n LEU 99 CO 0.00 1.88 1.62 -2.65 -1.33 0.00 0.00 177.39 176.91 1oqe n PRO 100 N 1.48 1.19 -2.90 3.23 -0.02 -1.26 -4.89 135.00 131.82 1oqe n PRO 100 Ca 0.24 0.38 -0.09 0.00 -2.02 0.00 0.00 63.50 62.01 1oqe n PRO 100 Cb 0.38 -2.33 -0.01 0.00 -0.02 0.00 0.00 33.50 31.51 1oqe n PRO 100 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1oqe n ASN 101 N 7.99 -2.76 -3.96 2.55 3.02 -1.22 -4.16 115.26 116.72 1oqe n ASN 101 Ca 0.35 -2.82 -0.23 0.00 -0.03 0.00 0.00 54.58 51.85 1oqe n ASN 101 Cb 0.19 1.24 -0.17 0.00 -0.61 0.00 0.00 39.78 40.43 1oqe n ASN 101 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1oqe s ASN 102 N 0.55 1.53 -0.01 6.41 0.01 -0.70 -4.97 114.94 117.75 1oqe s ASN 102 Ca 0.31 -0.23 0.02 0.00 -0.71 0.00 0.00 52.86 52.24 1oqe s ASN 102 Cb 0.02 -0.68 -0.03 0.00 0.41 0.00 0.00 41.25 40.96 1oqe s ASN 102 CO -0.09 -0.02 -0.04 -0.94 -1.51 0.00 0.00 177.10 174.50 1oqe s SER 103 N 0.92 4.84 -0.08 -1.22 1.04 -1.26 0.52 113.70 118.46 1oqe s SER 103 Ca -0.10 -0.06 0.02 0.00 0.48 0.00 0.00 55.95 56.29 1oqe s SER 103 Cb -0.15 -1.21 0.01 0.00 0.10 0.00 0.00 66.02 64.78 1oqe s SER 103 CO 0.01 0.30 -0.14 0.00 0.98 0.00 0.00 173.24 174.39 1oqe s TYR 105 N 0.79 2.83 -0.05 0.00 5.04 -1.26 -2.81 117.35 121.88 1oqe s TYR 105 Ca -0.12 -0.06 -0.14 0.00 -2.44 0.00 0.00 57.07 54.31 1oqe s TYR 105 Cb -0.16 -1.67 0.03 0.00 0.35 0.00 0.00 41.96 40.51 1oqe s TYR 105 CO 0.02 0.27 0.32 0.45 -1.34 0.00 0.00 175.55 175.27 1oqe s SER 106 N -0.81 -0.24 0.12 4.32 0.15 -0.76 -5.02 113.70 111.46 1oqe s SER 106 Ca 0.12 0.27 -0.21 0.00 0.70 0.00 0.00 55.95 56.83 1oqe s SER 106 Cb -0.11 0.43 0.06 0.00 -1.71 0.00 0.00 66.02 64.69 1oqe s SER 106 CO 0.01 -0.34 0.53 0.00 1.20 0.00 0.00 173.24 174.64 1oqe s ALA 107 N -0.85 -1.35 0.13 5.45 0.00 -1.26 -1.68 121.76 122.20 1oqe s ALA 107 Ca -0.09 0.37 -0.21 0.00 0.00 0.00 0.00 51.96 52.03 1oqe s ALA 107 Cb -0.04 0.71 0.07 0.00 0.00 0.00 0.00 23.12 23.86 1oqe s ALA 107 CO 0.03 -0.67 0.99 0.41 0.00 0.00 0.00 175.76 176.52 1oqe n GLY 108 N -0.15 0.58 3.56 0.00 0.00 -0.47 -5.00 105.19 103.72 1oqe n GLY 108 Ca -0.17 -1.11 -0.32 0.00 0.00 0.00 0.00 46.02 44.42 1oqe n GLY 108 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1oqe s ILE 109 N -2.09 3.46 0.02 -0.61 1.01 -1.26 -0.61 121.20 121.12 1oqe s ILE 109 Ca 0.22 -0.86 -0.16 0.00 0.00 0.00 0.00 60.65 59.85 1oqe s ILE 109 Cb -0.02 -2.49 0.03 0.00 0.01 0.00 0.00 42.46 39.98 1oqe s ILE 109 CO 0.04 0.38 0.35 0.00 0.00 0.00 0.00 174.94 175.71 1oqe s ALA 110 N -0.98 -0.85 -0.11 9.38 0.00 -0.53 -4.99 121.76 123.68 1oqe s ALA 110 Ca 0.16 0.26 -0.18 0.00 0.00 0.00 0.00 51.96 52.20 1oqe s ALA 110 Cb -0.11 0.22 -0.04 0.00 0.00 0.00 0.00 23.12 23.19 1oqe s ALA 110 CO 0.07 -0.36 0.49 0.21 0.00 0.00 0.00 175.76 176.16 1oqe s LYS 111 N -2.02 4.34 0.15 0.00 2.20 -1.26 -1.21 119.74 121.95 1oqe s LYS 111 Ca -0.08 0.47 0.07 0.00 -0.36 0.00 0.00 55.97 56.07 1oqe s LYS 111 Cb -0.02 -3.43 -0.04 0.00 -1.51 0.00 0.00 37.83 32.82 1oqe s LYS 111 CO 0.00 0.16 -0.16 -0.51 -0.36 0.00 0.00 175.35 174.49 1oqe s LEU 112 N 0.59 2.45 0.26 5.43 1.43 -0.36 -5.00 118.68 123.49 1oqe s LEU 112 Ca 0.26 -0.87 0.11 0.00 -1.03 0.00 0.00 54.13 52.60 1oqe s LEU 112 Cb -0.15 -0.69 -0.05 0.00 0.03 0.00 0.00 46.19 45.33 1oqe s LEU 112 CO 0.11 -0.11 -0.15 -1.61 0.23 0.00 0.00 176.35 174.82 1oqe s GLU 113 N -2.92 1.83 0.05 1.70 2.02 -1.26 -1.07 118.70 119.04 1oqe s GLU 113 Ca 0.14 -1.62 -0.36 0.00 0.02 0.00 0.00 54.97 53.15 1oqe s GLU 113 Cb -0.04 -1.90 -0.16 0.00 0.10 0.00 0.00 34.13 32.13 1oqe s GLU 113 CO 0.05 0.35 1.46 0.39 0.02 0.00 0.00 175.26 177.53 1oqe n GLU 114 N -0.52 1.38 0.00 1.61 1.02 -1.26 -0.64 120.64 122.23 1oqe n GLU 114 Ca -0.07 0.50 0.00 0.00 -0.02 0.00 0.00 57.16 57.57 1oqe n GLU 114 Cb 0.59 -2.18 0.00 0.00 -0.02 0.00 0.00 31.44 29.83 1oqe n GLU 114 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1oqe n GLY 115 N 2.97 2.47 3.77 0.62 0.00 0.40 -4.83 105.19 110.58 1oqe n GLY 115 Ca 0.19 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.87 1oqe n GLY 115 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1oqe s ASP 116 N -1.31 5.30 0.05 1.61 1.01 0.19 -4.48 116.67 119.04 1oqe s ASP 116 Ca 0.00 2.08 0.05 0.00 0.71 0.00 0.00 52.55 55.40 1oqe s ASP 116 Cb 0.00 -2.56 -0.02 0.00 1.01 0.00 0.00 42.92 41.34 1oqe s ASP 116 CO 0.00 -1.50 -0.15 -1.61 0.21 0.00 0.00 175.17 172.12 1oqe s GLU 117 N -3.78 0.96 0.02 8.23 2.02 -1.00 -1.09 118.70 124.06 1oqe s GLU 117 Ca 0.69 -0.86 0.07 0.00 0.02 0.00 0.00 54.97 54.89 1oqe s GLU 117 Cb -0.22 -1.00 -0.03 0.00 0.10 0.00 0.00 34.13 32.97 1oqe s GLU 117 CO 0.36 0.24 -0.18 -0.51 0.02 0.00 0.00 175.26 175.19 1oqe s LEU 118 N -1.35 2.57 0.05 1.80 1.43 0.62 -0.75 118.68 123.04 1oqe s LEU 118 Ca 0.02 -0.39 -0.09 0.00 -1.03 0.00 0.00 54.13 52.64 1oqe s LEU 118 Cb -0.09 -1.50 -0.00 0.00 0.03 0.00 0.00 46.19 44.63 1oqe s LEU 118 CO 0.02 0.28 0.18 0.00 0.23 0.00 0.00 176.35 177.05 1oqe s GLN 119 N -1.23 0.70 -0.25 1.70 -2.07 -0.72 -1.19 119.66 116.62 1oqe s GLN 119 Ca 0.14 -0.72 -0.04 0.00 -1.82 0.00 0.00 55.36 52.92 1oqe s GLN 119 Cb -0.10 0.29 0.01 0.00 -1.09 0.00 0.00 33.01 32.11 1oqe s GLN 119 CO 0.04 -0.20 -0.02 -1.17 -1.32 0.00 0.00 175.29 172.62 1oqe s LEU 120 N -2.25 3.23 0.06 2.60 1.98 -1.26 -0.62 118.68 122.41 1oqe s LEU 120 Ca -0.03 -0.62 0.09 0.00 -2.89 0.00 0.00 54.13 50.68 1oqe s LEU 120 Cb 0.00 -1.75 -0.03 0.00 0.66 0.00 0.00 46.19 45.07 1oqe s LEU 120 CO -0.05 -0.10 -0.24 0.00 -1.89 0.00 0.00 176.35 174.07 1oqe s ALA 121 N 1.44 2.09 -0.25 5.97 0.00 0.27 -4.43 121.76 126.84 1oqe s ALA 121 Ca 0.03 -1.23 -0.00 0.00 0.00 0.00 0.00 51.96 50.76 1oqe s ALA 121 Cb -0.16 -0.41 0.04 0.00 0.00 0.00 0.00 23.12 22.59 1oqe s ALA 121 CO -0.02 0.48 -0.08 0.42 0.00 0.00 0.00 175.76 176.55 1oqe s ILE 122 N -0.85 2.62 -0.86 0.00 1.01 -0.48 0.09 121.20 122.73 1oqe s ILE 122 Ca 0.10 -1.19 -0.05 0.00 0.00 0.00 0.00 60.65 59.51 1oqe s ILE 122 Cb -0.10 -2.37 -0.05 0.00 0.01 0.00 0.00 42.46 39.96 1oqe s ILE 122 CO 0.03 0.16 2.06 -2.65 0.00 0.00 0.00 174.94 174.53 1oqe n PRO 123 N 4.60 1.97 -3.68 2.79 -0.02 -1.26 -0.14 135.00 139.27 1oqe n PRO 123 Ca -0.16 -1.40 -0.14 0.00 -2.02 0.00 0.00 63.50 59.78 1oqe n PRO 123 Cb 0.46 -2.42 -0.09 0.00 -0.02 0.00 0.00 33.50 31.44 1oqe n PRO 123 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1oqe s ARG 124 N 3.46 0.67 0.18 -0.52 0.52 -1.14 -4.96 118.95 117.17 1oqe s ARG 124 Ca 0.37 0.54 -0.12 0.00 -0.52 0.00 0.00 55.73 56.01 1oqe s ARG 124 Cb 0.10 0.32 0.09 0.00 0.52 0.00 0.00 34.95 35.98 1oqe s ARG 124 CO -0.03 -0.12 1.81 0.93 0.02 0.00 0.00 175.30 177.91 1oqe h GLU 125 N 4.84 0.85 -2.01 3.54 5.08 -1.86 -2.82 114.58 122.20 1oqe h GLU 125 Ca -0.28 -0.09 -0.53 0.00 -1.00 0.00 0.00 59.36 57.46 1oqe h GLU 125 Cb 1.17 -0.17 -0.39 0.00 0.50 0.00 0.00 28.75 29.85 1oqe h GLU 125 CO 0.23 0.63 -1.12 0.09 -1.00 0.00 0.00 179.01 177.85 1oqe n ASN 126 N -4.58 0.58 -4.64 1.42 4.13 -1.26 -4.68 115.26 106.22 1oqe n ASN 126 Ca 0.04 -2.84 -0.54 0.00 1.68 0.00 0.00 54.58 52.92 1oqe n ASN 126 Cb 0.07 -0.63 -0.06 0.00 -1.54 0.00 0.00 39.78 37.62 1oqe n ASN 126 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1oqe n ALA 127 N 0.99 -0.60 -2.62 5.41 0.00 -1.25 -4.89 120.51 117.55 1oqe n ALA 127 Ca 0.23 0.46 -0.43 0.00 0.00 0.00 0.00 53.44 53.70 1oqe n ALA 127 Cb 0.57 -2.15 -0.04 0.00 0.00 0.00 0.00 19.45 17.83 1oqe n ALA 127 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1oqe s GLN 128 N 1.82 3.42 0.13 0.00 -1.52 -1.26 -4.99 119.66 117.26 1oqe s GLN 128 Ca 0.90 -0.06 0.05 0.00 -1.95 0.00 0.00 55.36 54.31 1oqe s GLN 128 Cb -1.00 -4.01 -0.04 0.00 -0.22 0.00 0.00 33.01 27.74 1oqe s GLN 128 CO 0.55 -1.45 -0.12 0.42 -0.25 0.00 0.00 175.29 174.44 1oqe s ILE 129 N 4.07 1.21 -0.07 1.08 1.09 -1.26 -1.47 121.20 125.85 1oqe s ILE 129 Ca 0.34 -1.83 -0.14 0.00 -1.10 0.00 0.00 60.65 57.92 1oqe s ILE 129 Cb -0.11 -1.61 -0.05 0.00 -1.06 0.00 0.00 42.46 39.63 1oqe s ILE 129 CO 0.22 -0.56 0.37 -0.55 -0.10 0.00 0.00 174.94 174.32 1oqe s SER 130 N -2.71 6.66 -0.30 3.58 0.15 -0.50 -4.87 113.70 115.70 1oqe s SER 130 Ca 0.11 0.78 0.11 0.00 0.70 0.00 0.00 55.95 57.65 1oqe s SER 130 Cb -0.02 -2.22 0.67 0.00 -1.71 0.00 0.00 66.02 62.73 1oqe s SER 130 CO 0.02 0.22 1.69 0.18 1.20 0.00 0.00 173.24 176.55 1oqe n LEU 131 N 2.58 5.41 -4.74 3.45 4.32 -1.26 -4.60 117.00 122.17 1oqe n LEU 131 Ca -0.13 -3.30 -0.41 0.00 -0.02 0.00 0.00 56.01 52.15 1oqe n LEU 131 Cb 0.52 -0.70 -0.05 0.00 -1.62 0.00 0.00 43.42 41.58 1oqe n LEU 131 CO 0.38 0.87 0.68 -1.81 -1.22 0.00 0.00 177.39 176.30 1oqe s ASP 132 N -1.47 7.52 0.64 -1.43 -0.00 -1.26 -3.09 116.67 117.57 1oqe s ASP 132 Ca 0.51 1.92 0.37 0.00 -0.00 0.00 0.00 52.55 55.35 1oqe s ASP 132 Cb 0.42 -2.60 2.11 0.00 -0.00 0.00 0.00 42.92 42.85 1oqe s ASP 132 CO 0.10 0.00 2.28 1.23 -0.00 0.00 0.00 175.17 178.79 1oqe h GLY 133 N 4.86 0.00 1.03 0.21 0.00 -1.83 -2.44 103.07 104.89 1oqe h GLY 133 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.89 1oqe h GLY 133 CO 0.70 0.00 -0.52 2.09 0.00 0.00 0.00 176.54 178.81 1oqe n ASP 134 N -3.40 0.51 -0.03 0.19 5.75 -1.26 -4.39 116.55 113.92 1oqe n ASP 134 Ca -0.03 -0.19 -0.02 0.00 -0.01 0.00 0.00 54.79 54.54 1oqe n ASP 134 Cb 0.12 0.24 -0.07 0.00 -1.03 0.00 0.00 41.12 40.38 1oqe n ASP 134 CO 0.00 0.00 0.00 1.33 -0.11 0.00 0.00 177.20 178.42 1oqe n VAL 135 N -1.58 0.47 -3.91 2.12 0.24 -0.95 -4.94 118.33 109.78 1oqe n VAL 135 Ca 0.05 -0.33 -0.29 0.00 -2.04 0.00 0.00 64.34 61.74 1oqe n VAL 135 Cb 0.35 -0.57 -0.16 0.00 -1.47 0.00 0.00 33.84 31.99 1oqe n VAL 135 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 1oqe s THR 136 N -2.29 1.21 0.17 3.34 -4.23 -1.05 -3.70 115.64 109.09 1oqe s THR 136 Ca -0.04 -0.69 -0.07 0.00 -1.18 0.00 0.00 61.69 59.71 1oqe s THR 136 Cb 0.03 -1.36 -0.02 0.00 1.34 0.00 0.00 72.50 72.50 1oqe s THR 136 CO 0.35 0.15 0.25 0.72 -0.54 0.00 0.00 174.62 175.56 1oqe s PHE 137 N 1.59 0.55 -0.11 3.99 -0.12 -0.14 -2.20 117.98 121.54 1oqe s PHE 137 Ca 0.01 -0.90 -0.06 0.00 -0.05 0.00 0.00 56.93 55.92 1oqe s PHE 137 Cb -0.15 -0.15 0.05 0.00 -0.63 0.00 0.00 43.02 42.13 1oqe s PHE 137 CO -0.08 -0.71 0.28 0.12 -0.05 0.00 0.00 175.22 174.77 1oqe s PHE 138 N -4.01 -0.37 0.24 3.49 5.36 -0.50 -0.78 117.98 121.41 1oqe s PHE 138 Ca 0.21 0.85 -0.14 0.00 -0.96 0.00 0.00 56.93 56.90 1oqe s PHE 138 Cb 0.04 0.09 0.00 0.00 -0.34 0.00 0.00 43.02 42.81 1oqe s PHE 138 CO 0.03 -0.24 0.49 0.20 -1.46 0.00 0.00 175.22 174.24 1oqe s GLY 139 N 1.11 0.43 -0.10 13.12 0.00 -0.38 0.99 107.32 122.48 1oqe s GLY 139 Ca -0.08 -0.77 -0.09 0.00 0.00 0.00 0.00 44.72 43.78 1oqe s GLY 139 CO -0.08 -0.56 0.25 0.00 0.00 0.00 0.00 173.10 172.71 1oqe s ALA 140 N -3.99 -0.62 -0.06 3.20 0.00 -0.57 -1.51 121.76 118.21 1oqe s ALA 140 Ca 0.20 0.73 0.02 0.00 0.00 0.00 0.00 51.96 52.91 1oqe s ALA 140 Cb -0.01 -0.43 0.01 0.00 0.00 0.00 0.00 23.12 22.70 1oqe s ALA 140 CO 0.07 -0.12 -0.10 -1.17 0.00 0.00 0.00 175.76 174.44 1oqe s LEU 141 N 0.20 1.59 -0.09 0.00 0.20 0.04 -1.37 118.68 119.24 1oqe s LEU 141 Ca -0.01 -0.25 -0.27 0.00 0.69 0.00 0.00 54.13 54.30 1oqe s LEU 141 Cb -0.02 -0.71 -0.02 0.00 -0.43 0.00 0.00 46.19 45.00 1oqe s LEU 141 CO -0.00 0.02 0.86 -0.75 -0.29 0.00 0.00 176.35 176.19 1oqe s LYS 142 N 0.66 4.41 0.38 1.98 2.20 0.57 -0.39 119.74 129.54 1oqe s LYS 142 Ca -0.13 1.13 -0.18 0.00 -0.36 0.00 0.00 55.97 56.43 1oqe s LYS 142 Cb -0.15 -3.51 -0.10 0.00 -1.51 0.00 0.00 37.83 32.56 1oqe s LYS 142 CO 0.03 -0.16 0.84 -0.51 -0.36 0.00 0.00 175.35 175.19 1oqe s LEU 143 N 1.52 4.00 0.00 5.43 1.43 -0.24 -4.28 118.68 126.55 1oqe s LEU 143 Ca 0.43 1.49 0.28 0.00 -1.03 0.00 0.00 54.13 55.30 1oqe s LEU 143 Cb -0.18 -4.31 1.69 0.00 0.03 0.00 0.00 46.19 43.42 1oqe s LEU 143 CO 0.18 -0.28 2.03 0.18 0.23 0.00 0.00 176.35 178.69