#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 0.56 -0.43 2.52 -4.23 -1.26 -5.13 115.64 107.68 1oqe s THR 2 Ca 0.00 -1.96 -0.12 0.00 -1.18 0.00 0.00 61.69 58.42 1oqe s THR 2 Cb 0.00 -2.09 0.06 0.00 1.34 0.00 0.00 72.50 71.81 1oqe s THR 2 CO 0.00 -0.49 0.31 -1.10 -0.54 0.00 0.00 174.62 172.80 1oqe s GLN 3 N -3.94 2.81 0.67 3.99 -0.21 -1.26 -4.95 119.66 116.77 1oqe s GLN 3 Ca 0.23 -1.32 -0.16 0.00 0.02 0.00 0.00 55.36 54.13 1oqe s GLN 3 Cb 0.06 -3.93 0.00 0.00 1.00 0.00 0.00 33.01 30.15 1oqe s GLN 3 CO 0.03 -0.93 1.17 -0.51 -2.12 0.00 0.00 175.29 172.93 1oqe s ASP 4 N 2.19 4.81 -0.08 5.90 1.11 -1.26 -4.78 116.67 124.55 1oqe s ASP 4 Ca 0.03 2.22 -0.30 0.00 0.18 0.00 0.00 52.55 54.68 1oqe s ASP 4 Cb -0.23 -2.58 0.11 0.00 1.07 0.00 0.00 42.92 41.30 1oqe s ASP 4 CO 0.05 -1.84 0.93 0.00 1.18 0.00 0.00 175.17 175.49 1oqe s LEU 6 N -1.72 0.96 -0.04 0.00 0.20 -0.51 -0.70 118.68 116.87 1oqe s LEU 6 Ca 0.01 0.13 0.07 0.00 0.69 0.00 0.00 54.13 55.02 1oqe s LEU 6 Cb -0.01 0.08 -0.01 0.00 -0.43 0.00 0.00 46.19 45.82 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 2.21 0.11 1.98 0.74 -0.43 -1.42 119.66 123.95 1oqe s GLN 7 Ca -0.09 -0.86 0.08 0.00 0.05 0.00 0.00 55.36 54.54 1oqe s GLN 7 Cb -0.12 -1.99 -0.04 0.00 1.10 0.00 0.00 33.01 31.96 1oqe s GLN 7 CO -0.04 0.44 -0.15 -0.51 -0.55 0.00 0.00 175.29 174.48 1oqe s LEU 8 N -0.34 2.83 0.03 3.68 1.02 0.32 -0.61 118.68 125.62 1oqe s LEU 8 Ca 0.02 -0.48 0.04 0.00 0.02 0.00 0.00 54.13 53.73 1oqe s LEU 8 Cb -0.11 -1.66 -0.02 0.00 0.02 0.00 0.00 46.19 44.42 1oqe s LEU 8 CO 0.01 0.18 -0.11 -0.63 0.02 0.00 0.00 176.35 175.83 1oqe s ILE 9 N -1.16 0.83 0.32 -0.59 1.01 0.75 -1.31 121.20 121.05 1oqe s ILE 9 Ca 0.19 -0.84 -0.29 0.00 0.00 0.00 0.00 60.65 59.71 1oqe s ILE 9 Cb -0.11 -0.77 -0.12 0.00 0.01 0.00 0.00 42.46 41.47 1oqe s ILE 9 CO 0.11 -0.05 1.49 0.00 0.00 0.00 0.00 174.94 176.48 1oqe n ALA 10 N 2.04 2.11 -3.45 9.38 0.00 -0.97 -0.28 120.51 129.34 1oqe n ALA 10 Ca -0.18 0.36 -0.43 0.00 0.00 0.00 0.00 53.44 53.19 1oqe n ALA 10 Cb 0.55 -2.39 -0.06 0.00 0.00 0.00 0.00 19.45 17.55 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 0.13 6.08 0.00 0.00 2.15 0.44 -4.20 116.67 121.27 1oqe s ASP 11 Ca 0.59 -2.30 0.04 0.00 0.43 0.00 0.00 52.55 51.32 1oqe s ASP 11 Cb -0.52 -2.09 0.20 0.00 -0.30 0.00 0.00 42.92 40.20 1oqe s ASP 11 CO 0.56 -0.64 1.10 -1.54 -0.17 0.00 0.00 175.17 174.49 1oqe n SER 12 N 4.44 0.00 -0.87 -0.34 3.41 -1.19 -2.56 113.62 116.51 1oqe n SER 12 Ca 0.00 0.44 0.09 0.00 -0.26 0.00 0.00 58.87 59.14 1oqe n SER 12 Cb 0.42 -0.45 0.26 0.00 -0.26 0.00 0.00 64.21 64.18 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 -1.45 2.11 -4.04 4.33 1.02 -1.26 -4.88 120.64 116.47 1oqe n GLU 13 Ca 0.01 -1.71 -0.12 0.00 -0.02 0.00 0.00 57.16 55.33 1oqe n GLU 13 Cb 0.05 -1.41 -0.12 0.00 -0.02 0.00 0.00 31.44 29.94 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 -1.49 0.40 0.64 2.62 -4.23 -1.06 -5.15 115.64 107.38 1oqe s THR 14 Ca 0.34 -0.95 -0.17 0.00 -1.18 0.00 0.00 61.69 59.72 1oqe s THR 14 Cb 0.18 -0.48 -0.01 0.00 1.34 0.00 0.00 72.50 73.53 1oqe s THR 14 CO 0.25 -0.37 1.20 -2.84 -0.54 0.00 0.00 174.62 172.32 1oqe s PRO 15 N -1.42 2.73 0.45 3.99 0.02 -1.26 -4.86 135.00 134.66 1oqe s PRO 15 Ca -0.11 1.77 -0.24 0.00 0.02 0.00 0.00 61.00 62.44 1oqe s PRO 15 Cb -0.09 -1.91 -0.07 0.00 0.02 0.00 0.00 34.50 32.45 1oqe s PRO 15 CO -0.00 -1.38 1.27 0.95 -0.33 0.00 0.00 177.00 177.51 1oqe s THR 16 N -1.77 2.66 -0.17 0.99 -4.23 -1.26 -4.68 115.64 107.18 1oqe s THR 16 Ca 0.76 0.54 -0.24 0.00 -1.18 0.00 0.00 61.69 61.56 1oqe s THR 16 Cb -0.29 -3.29 -0.02 0.00 1.34 0.00 0.00 72.50 70.24 1oqe s THR 16 CO 0.37 0.03 0.79 -0.63 -0.54 0.00 0.00 174.62 174.64 1oqe s ILE 17 N -1.37 4.91 -0.19 2.99 1.01 -0.27 -4.90 121.20 123.38 1oqe s ILE 17 Ca 0.62 1.53 -0.10 0.00 0.00 0.00 0.00 60.65 62.71 1oqe s ILE 17 Cb -0.35 -4.09 -0.05 0.00 0.01 0.00 0.00 42.46 37.97 1oqe s ILE 17 CO 0.44 0.05 0.13 -1.10 0.00 0.00 0.00 174.94 174.45 1oqe s GLN 18 N 2.08 4.10 -0.30 2.79 1.11 -1.26 -0.35 119.66 127.84 1oqe s GLN 18 Ca 0.36 -0.21 -0.08 0.00 0.01 0.00 0.00 55.36 55.44 1oqe s GLN 18 Cb -0.16 -3.39 0.15 0.00 -1.01 0.00 0.00 33.01 28.60 1oqe s GLN 18 CO 0.12 0.35 0.68 0.21 0.01 0.00 0.00 175.29 176.66 1oqe s LYS 19 N 0.20 0.54 -1.25 2.91 2.20 -0.71 -5.00 119.74 118.63 1oqe s LYS 19 Ca 0.09 1.22 -0.13 0.00 -0.36 0.00 0.00 55.97 56.79 1oqe s LYS 19 Cb -0.11 0.72 -0.00 0.00 -1.51 0.00 0.00 37.83 36.93 1oqe s LYS 19 CO -0.01 -0.31 0.64 0.41 -0.36 0.00 0.00 175.35 175.71 1oqe n GLY 20 N 5.40 -0.65 2.58 5.54 0.00 -1.26 -1.51 105.19 115.30 1oqe n GLY 20 Ca -0.08 0.31 -0.11 0.00 0.00 0.00 0.00 46.02 46.14 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 -2.78 -5.11 -4.37 1.61 3.41 -1.26 -4.99 113.62 100.12 1oqe n SER 21 Ca -0.19 0.27 -0.26 0.00 -0.26 0.00 0.00 58.87 58.43 1oqe n SER 21 Cb 0.63 -3.57 -0.12 0.00 -0.26 0.00 0.00 64.21 60.88 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 -2.14 2.13 -0.11 7.33 1.51 -0.57 -3.13 117.35 122.38 1oqe s TYR 22 Ca 0.00 -0.39 0.01 0.00 -1.01 0.00 0.00 57.07 55.67 1oqe s TYR 22 Cb 0.00 -1.11 -0.02 0.00 -0.11 0.00 0.00 41.96 40.72 1oqe s TYR 22 CO 0.00 0.35 -0.13 0.99 -1.11 0.00 0.00 175.55 175.65 1oqe s THR 23 N -1.38 3.08 -0.11 -0.71 2.01 0.99 -1.73 115.64 117.78 1oqe s THR 23 Ca 0.14 -0.67 0.02 0.00 0.31 0.00 0.00 61.69 61.50 1oqe s THR 23 Cb -0.09 -2.27 -0.01 0.00 0.01 0.00 0.00 72.50 70.14 1oqe s THR 23 CO 0.07 0.54 -0.20 -0.36 -0.69 0.00 0.00 174.62 173.98 1oqe s PHE 24 N 0.09 2.65 0.23 4.92 0.40 0.53 -1.35 117.98 125.45 1oqe s PHE 24 Ca -0.05 -0.91 -0.30 0.00 -0.60 0.00 0.00 56.93 55.07 1oqe s PHE 24 Cb -0.15 -1.76 -0.09 0.00 0.51 0.00 0.00 43.02 41.53 1oqe s PHE 24 CO 0.04 -0.35 1.30 0.08 0.70 0.00 0.00 175.22 177.00 1oqe s VAL 25 N 0.35 3.12 -0.40 -0.44 1.01 -1.26 -1.11 120.40 121.66 1oqe s VAL 25 Ca -0.16 0.96 -0.29 0.00 0.00 0.00 0.00 61.98 62.49 1oqe s VAL 25 Cb -0.17 -3.61 0.02 0.00 0.00 0.00 0.00 36.38 32.62 1oqe s VAL 25 CO 0.08 0.16 1.20 -2.84 0.00 0.00 0.00 175.10 173.70 1oqe s PRO 26 N -0.47 3.80 0.28 2.72 0.02 -1.26 -4.88 135.00 135.22 1oqe s PRO 26 Ca 0.55 0.86 -0.07 0.00 0.02 0.00 0.00 61.00 62.36 1oqe s PRO 26 Cb -0.37 -3.89 -0.06 0.00 0.02 0.00 0.00 34.50 30.20 1oqe s PRO 26 CO 0.41 -1.27 0.57 -1.58 -0.33 0.00 0.00 177.00 174.80 1oqe s TRP 27 N 4.45 3.46 0.01 6.54 0.23 -1.26 -0.42 118.94 131.95 1oqe s TRP 27 Ca 0.51 0.75 0.02 0.00 -2.03 0.00 0.00 56.10 55.35 1oqe s TRP 27 Cb -0.11 -2.18 -0.01 0.00 0.03 0.00 0.00 33.47 31.20 1oqe s TRP 27 CO 0.27 0.18 -0.07 -1.17 0.96 0.00 0.00 176.95 177.12 1oqe s LEU 28 N -3.35 2.06 0.14 2.99 2.96 0.62 -4.74 118.68 119.36 1oqe s LEU 28 Ca 0.46 -0.20 -0.31 0.00 -0.22 0.00 0.00 54.13 53.85 1oqe s LEU 28 Cb -0.11 -0.31 -0.09 0.00 0.50 0.00 0.00 46.19 46.19 1oqe s LEU 28 CO 0.27 0.03 1.46 -0.22 -1.32 0.00 0.00 176.35 176.57 1oqe s LEU 29 N -0.43 4.37 -0.20 -0.68 2.96 -1.26 -0.18 118.68 123.26 1oqe s LEU 29 Ca 0.00 2.45 -0.17 0.00 -0.22 0.00 0.00 54.13 56.19 1oqe s LEU 29 Cb -0.04 -3.59 -0.14 0.00 0.50 0.00 0.00 46.19 42.92 1oqe s LEU 29 CO -0.00 -0.72 0.00 -0.24 -1.32 0.00 0.00 176.35 174.07 1oqe n SER 30 N 3.91 1.87 -3.59 3.68 2.88 0.22 -4.79 113.62 117.81 1oqe n SER 30 Ca 0.12 0.45 -0.09 0.00 -1.33 0.00 0.00 58.87 58.02 1oqe n SER 30 Cb 0.41 -0.91 -0.05 0.00 -0.75 0.00 0.00 64.21 62.91 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 -2.39 -0.32 -0.05 0.66 -0.12 -1.04 -4.99 117.98 109.73 1oqe s PHE 31 Ca -0.28 0.54 0.03 0.00 -0.05 0.00 0.00 56.93 57.17 1oqe s PHE 31 Cb 0.06 0.46 0.01 0.00 -0.63 0.00 0.00 43.02 42.92 1oqe s PHE 31 CO 0.49 -0.30 -0.13 0.21 -0.05 0.00 0.00 175.22 175.44 1oqe s LYS 32 N -1.12 1.57 -0.07 1.99 2.20 -1.26 -1.31 119.74 121.73 1oqe s LYS 32 Ca -0.00 -0.45 -0.01 0.00 -0.36 0.00 0.00 55.97 55.15 1oqe s LYS 32 Cb -0.01 -1.34 0.03 0.00 -1.51 0.00 0.00 37.83 35.00 1oqe s LYS 32 CO 0.00 0.11 -0.02 0.50 -0.36 0.00 0.00 175.35 175.59 1oqe s ARG 33 N 0.37 0.77 0.75 4.03 3.52 0.12 -5.02 118.95 123.50 1oqe s ARG 33 Ca -0.09 0.03 0.00 0.00 -0.13 0.00 0.00 55.73 55.54 1oqe s ARG 33 Cb -0.13 -1.05 0.00 0.00 -1.56 0.00 0.00 34.95 32.21 1oqe s ARG 33 CO 0.03 -0.27 0.00 0.41 -0.81 0.00 0.00 175.30 174.65 1oqe n GLY 34 N 4.99 -1.78 0.00 8.12 0.00 -1.26 -1.16 105.19 114.10 1oqe n GLY 34 Ca -0.10 -1.72 0.00 0.00 0.00 0.00 0.00 46.02 44.20 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 3.09 0.27 1.61 3.41 -1.26 -4.75 113.62 116.16 1oqe n SER 35 Ca 0.00 -0.19 0.14 0.00 -0.26 0.00 0.00 58.87 58.56 1oqe n SER 35 Cb 0.00 1.00 0.84 0.00 -0.26 0.00 0.00 64.21 65.79 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 1.69 -4.16 7.33 0.00 -1.93 -3.43 119.26 118.76 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 -0.28 0.00 0.00 0.00 0.00 17.79 17.51 1oqe h ALA 36 CO 0.00 -0.06 -0.82 -0.51 0.00 0.00 0.00 179.25 177.86 1oqe s LEU 37 N -8.00 2.07 0.07 0.00 1.43 -1.26 -0.10 118.68 112.89 1oqe s LEU 37 Ca -0.05 -0.34 0.00 0.00 -1.03 0.00 0.00 54.13 52.72 1oqe s LEU 37 Cb 0.16 -0.80 -0.04 0.00 0.03 0.00 0.00 46.19 45.54 1oqe s LEU 37 CO 0.58 0.17 -0.05 -1.61 0.23 0.00 0.00 176.35 175.66 1oqe s GLU 38 N -0.58 0.70 -0.06 1.70 2.02 -0.44 -4.89 118.70 117.15 1oqe s GLU 38 Ca 0.06 -1.23 -0.07 0.00 0.02 0.00 0.00 54.97 53.74 1oqe s GLU 38 Cb -0.07 -0.01 -0.04 0.00 0.10 0.00 0.00 34.13 34.11 1oqe s GLU 38 CO -0.00 -0.06 0.21 -1.83 0.02 0.00 0.00 175.26 173.60 1oqe s GLU 39 N -3.68 3.53 -0.23 1.61 -1.05 -1.26 0.37 118.70 117.99 1oqe s GLU 39 Ca 0.08 -0.07 -0.05 0.00 -0.15 0.00 0.00 54.97 54.77 1oqe s GLU 39 Cb 0.05 -3.16 0.12 0.00 -0.44 0.00 0.00 34.13 30.70 1oqe s GLU 39 CO -0.07 0.73 0.41 0.21 0.95 0.00 0.00 175.26 177.49 1oqe s LYS 40 N -1.30 0.35 -1.35 -4.83 2.20 0.24 -4.85 119.74 110.21 1oqe s LYS 40 Ca 0.20 0.81 -0.05 0.00 -0.36 0.00 0.00 55.97 56.56 1oqe s LYS 40 Cb -0.13 -0.03 0.00 0.00 -1.51 0.00 0.00 37.83 36.16 1oqe s LYS 40 CO 0.10 -0.46 0.50 0.39 -0.36 0.00 0.00 175.35 175.52 1oqe n GLU 41 N 5.38 -2.76 -1.24 4.03 1.02 -1.26 -0.83 120.64 124.97 1oqe n GLU 41 Ca -0.06 0.40 -0.08 0.00 -0.02 0.00 0.00 57.16 57.40 1oqe n GLU 41 Cb 0.50 -4.36 -0.04 0.00 -0.02 0.00 0.00 31.44 27.52 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 -2.89 -4.68 -4.40 1.62 4.05 -1.26 -4.99 115.26 102.71 1oqe n ASN 42 Ca -0.26 0.21 -0.22 0.00 0.45 0.00 0.00 54.58 54.76 1oqe n ASN 42 Cb 0.66 -2.92 -0.10 0.00 1.23 0.00 0.00 39.78 38.65 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 -2.44 1.67 -0.25 1.20 1.02 -0.01 -4.86 119.74 116.07 1oqe s LYS 43 Ca 0.00 -1.94 -0.07 0.00 0.02 0.00 0.00 55.97 53.98 1oqe s LYS 43 Cb 0.00 -0.79 -0.02 0.00 -0.52 0.00 0.00 37.83 36.50 1oqe s LYS 43 CO 0.00 -0.24 0.07 0.42 -0.92 0.00 0.00 175.35 174.68 1oqe s ILE 44 N -3.32 4.23 -0.17 2.17 1.01 -0.34 -0.59 121.20 124.19 1oqe s ILE 44 Ca 0.35 -0.24 -0.13 0.00 0.00 0.00 0.00 60.65 60.64 1oqe s ILE 44 Cb 0.08 -3.00 -0.05 0.00 0.01 0.00 0.00 42.46 39.50 1oqe s ILE 44 CO 0.15 0.32 0.24 -0.22 0.00 0.00 0.00 174.94 175.43 1oqe s LEU 45 N 1.60 4.23 -0.12 2.97 2.96 0.16 -0.34 118.68 130.15 1oqe s LEU 45 Ca 0.06 0.41 -0.22 0.00 -0.22 0.00 0.00 54.13 54.16 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 0.03 0.13 0.64 -0.69 -1.32 0.00 0.00 176.35 175.14 1oqe s VAL 46 N 0.44 5.06 -0.53 1.68 1.01 -0.17 -1.33 120.40 126.56 1oqe s VAL 46 Ca 0.14 1.28 0.12 0.00 0.00 0.00 0.00 61.98 63.52 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 0.22 0.50 0.29 0.00 0.00 0.00 175.10 176.13 1oqe n LYS 47 N 4.16 2.79 -3.73 2.72 4.76 0.86 -0.49 118.16 129.23 1oqe n LYS 47 Ca -0.02 -0.01 -0.16 0.00 -2.87 0.00 0.00 58.31 55.25 1oqe n LYS 47 Cb 0.51 -1.09 -0.16 0.00 -1.84 0.00 0.00 35.03 32.45 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 -2.20 -0.02 0.51 1.97 2.02 -1.23 -4.77 118.70 114.97 1oqe s GLU 48 Ca 0.04 0.31 -0.20 0.00 0.02 0.00 0.00 54.97 55.14 1oqe s GLU 48 Cb 0.09 -0.30 -0.07 0.00 0.10 0.00 0.00 34.13 33.95 1oqe s GLU 48 CO 0.50 -0.22 1.06 0.95 0.02 0.00 0.00 175.26 177.57 1oqe s THR 49 N 1.47 3.63 -4.11 3.63 -4.23 -1.26 -4.56 115.64 110.21 1oqe s THR 49 Ca -0.05 0.99 0.00 0.00 -1.18 0.00 0.00 61.69 61.45 1oqe s THR 49 Cb -0.12 -3.40 0.00 0.00 1.34 0.00 0.00 72.50 70.32 1oqe s THR 49 CO -0.04 -0.25 0.00 0.61 -0.54 0.00 0.00 174.62 174.40 1oqe n GLY 50 N -0.23 -0.57 3.63 3.99 0.00 -0.22 -4.94 105.19 106.84 1oqe n GLY 50 Ca 0.10 -1.04 -0.35 0.00 0.00 0.00 0.00 46.02 44.73 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 3.25 0.08 1.61 1.51 -1.26 -1.17 117.35 118.37 1oqe s TYR 51 Ca 0.00 0.06 0.08 0.00 -1.01 0.00 0.00 57.07 56.20 1oqe s TYR 51 Cb 0.00 -2.12 -0.03 0.00 -0.11 0.00 0.00 41.96 39.70 1oqe s TYR 51 CO 0.00 0.11 -0.22 -0.06 -1.11 0.00 0.00 175.55 174.27 1oqe s PHE 52 N 0.55 1.87 -0.27 2.71 0.40 -0.37 -0.58 117.98 122.30 1oqe s PHE 52 Ca 0.04 -0.40 -0.13 0.00 -0.60 0.00 0.00 56.93 55.84 1oqe s PHE 52 Cb -0.13 -1.06 -0.04 0.00 0.51 0.00 0.00 43.02 42.30 1oqe s PHE 52 CO 0.01 0.17 0.29 0.12 0.70 0.00 0.00 175.22 176.51 1oqe s PHE 53 N -0.99 3.25 -0.08 0.36 5.36 0.79 -1.46 117.98 125.22 1oqe s PHE 53 Ca 0.08 0.30 0.04 0.00 -0.96 0.00 0.00 56.93 56.39 1oqe s PHE 53 Cb -0.10 -2.47 -0.02 0.00 -0.34 0.00 0.00 43.02 40.09 1oqe s PHE 53 CO 0.03 -0.17 -0.19 0.42 -1.46 0.00 0.00 175.22 173.86 1oqe s ILE 54 N 1.83 2.58 0.07 3.12 1.01 0.27 -0.61 121.20 129.47 1oqe s ILE 54 Ca 0.12 -0.87 -0.04 0.00 0.00 0.00 0.00 60.65 59.86 1oqe s ILE 54 Cb -0.16 -2.00 -0.03 0.00 0.01 0.00 0.00 42.46 40.29 1oqe s ILE 54 CO 0.10 0.56 0.05 -0.72 0.00 0.00 0.00 174.94 174.94 1oqe s TYR 55 N -0.17 0.38 -0.12 3.97 -0.85 -0.62 -1.36 117.35 118.58 1oqe s TYR 55 Ca -0.02 -0.89 -0.30 0.00 -0.52 0.00 0.00 57.07 55.34 1oqe s TYR 55 Cb -0.14 -0.26 0.10 0.00 0.38 0.00 0.00 41.96 42.04 1oqe s TYR 55 CO 0.04 -0.44 0.87 0.20 -1.52 0.00 0.00 175.55 174.70 1oqe s GLY 56 N -2.90 -0.39 -0.02 5.49 0.00 -0.71 -1.32 107.32 107.48 1oqe s GLY 56 Ca 0.06 1.78 -0.04 0.00 0.00 0.00 0.00 44.72 46.52 1oqe s GLY 56 CO -0.10 1.04 0.10 1.62 0.00 0.00 0.00 173.10 175.75 1oqe s GLN 57 N -1.08 0.24 -0.00 2.90 0.74 -0.02 -1.86 119.66 120.57 1oqe s GLN 57 Ca -0.05 -0.09 0.00 0.00 0.05 0.00 0.00 55.36 55.27 1oqe s GLN 57 Cb -0.00 0.10 0.00 0.00 1.10 0.00 0.00 33.01 34.21 1oqe s GLN 57 CO 0.05 -0.04 -0.00 0.08 -0.55 0.00 0.00 175.29 174.82 1oqe s VAL 58 N -0.51 0.04 -0.36 1.34 1.01 -1.11 -1.04 120.40 119.78 1oqe s VAL 58 Ca -0.06 -0.02 -0.13 0.00 0.00 0.00 0.00 61.98 61.78 1oqe s VAL 58 Cb -0.04 -0.05 -0.00 0.00 0.00 0.00 0.00 36.38 36.29 1oqe s VAL 58 CO 0.00 0.02 0.24 -0.22 0.00 0.00 0.00 175.10 175.14 1oqe s LEU 59 N 0.03 4.63 -0.09 3.92 0.20 -1.25 -1.67 118.68 124.46 1oqe s LEU 59 Ca -0.00 -0.60 -0.17 0.00 0.69 0.00 0.00 54.13 54.06 1oqe s LEU 59 Cb -0.01 -2.12 -0.05 0.00 -0.43 0.00 0.00 46.19 43.59 1oqe s LEU 59 CO -0.00 -0.30 0.43 -0.31 -0.29 0.00 0.00 176.35 175.89 1oqe s TYR 60 N 1.69 3.57 -0.16 5.38 1.51 0.18 -1.43 117.35 128.10 1oqe s TYR 60 Ca 0.05 0.89 0.18 0.00 -1.01 0.00 0.00 57.07 57.18 1oqe s TYR 60 Cb -0.18 -2.45 0.45 0.00 -0.11 0.00 0.00 41.96 39.67 1oqe s TYR 60 CO 0.10 0.32 1.18 0.25 -1.11 0.00 0.00 175.55 176.28 1oqe n THR 61 N 3.09 1.30 -4.48 -0.71 -2.24 -0.37 -1.74 114.28 109.14 1oqe n THR 61 Ca -0.10 -2.54 -0.34 0.00 -2.27 0.00 0.00 64.05 58.80 1oqe n THR 61 Cb 0.52 0.34 -0.11 0.00 -2.10 0.00 0.00 70.33 68.98 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 -2.96 4.80 -0.21 3.42 3.68 -1.06 -4.77 116.67 119.57 1oqe s ASP 62 Ca 0.37 -0.05 0.06 0.00 2.13 0.00 0.00 52.55 55.06 1oqe s ASP 62 Cb 0.37 -1.52 0.49 0.00 -1.45 0.00 0.00 42.92 40.81 1oqe s ASP 62 CO -0.08 0.27 1.43 2.29 0.13 0.00 0.00 175.17 179.20 1oqe n LYS 63 N 2.86 2.82 0.00 4.34 2.85 -1.26 -4.67 118.16 125.10 1oqe n LYS 63 Ca -0.18 -2.00 0.00 0.00 -1.05 0.00 0.00 58.31 55.09 1oqe n LYS 63 Cb 0.53 -1.90 0.00 0.00 -0.65 0.00 0.00 35.03 33.01 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 0.01 0.41 0.00 0.58 -1.04 -1.26 -4.81 114.28 108.17 1oqe n THR 64 Ca 0.26 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.27 1oqe n THR 64 Cb 1.03 -0.69 0.00 0.00 -1.82 0.00 0.00 70.33 68.85 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 0.75 0.00 -3.67 -1.42 0.18 -1.26 -4.69 117.16 107.05 1oqe n TYR 65 Ca 0.00 0.00 -0.10 0.00 1.88 0.00 0.00 57.90 59.68 1oqe n TYR 65 Cb 0.21 0.00 -0.10 0.00 -0.38 0.00 0.00 39.34 39.07 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 -1.04 0.25 -3.48 0.00 -1.26 -0.94 121.76 115.30 1oqe s ALA 66 Ca 0.00 1.45 0.06 0.00 0.00 0.00 0.00 51.96 53.47 1oqe s ALA 66 Cb 0.00 -1.13 -0.05 0.00 0.00 0.00 0.00 23.12 21.94 1oqe s ALA 66 CO 0.00 -0.54 -0.06 -1.64 0.00 0.00 0.00 175.76 173.52 1oqe s MET 67 N 2.10 1.46 0.00 0.00 -1.94 -0.24 -4.95 119.30 115.73 1oqe s MET 67 Ca -0.05 -1.72 0.00 0.00 -1.71 0.00 0.00 55.69 52.21 1oqe s MET 67 Cb -0.11 -1.03 0.00 0.00 2.01 0.00 0.00 34.83 35.71 1oqe s MET 67 CO -0.12 0.03 0.00 0.41 -0.01 0.00 0.00 175.02 175.33 1oqe n GLY 68 N -0.51 -0.37 3.21 -0.03 0.00 -1.26 -0.37 105.19 105.88 1oqe n GLY 68 Ca -0.06 -1.13 -0.11 0.00 0.00 0.00 0.00 46.02 44.72 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 1.02 -0.02 1.61 -3.43 -1.08 -4.30 115.29 107.10 1oqe s HIS 69 Ca 0.00 -1.29 0.06 0.00 -0.80 0.00 0.00 55.06 53.03 1oqe s HIS 69 Cb 0.00 -0.49 -0.01 0.00 -1.43 0.00 0.00 32.58 30.65 1oqe s HIS 69 CO 0.00 -0.63 -0.20 -0.51 -2.00 0.00 0.00 174.74 171.40 1oqe s LEU 70 N -3.12 2.03 -0.30 5.38 1.43 0.13 -1.86 118.68 122.37 1oqe s LEU 70 Ca 0.34 -0.36 -0.09 0.00 -1.03 0.00 0.00 54.13 52.99 1oqe s LEU 70 Cb 0.07 -1.02 -0.01 0.00 0.03 0.00 0.00 46.19 45.26 1oqe s LEU 70 CO 0.09 0.23 0.14 -0.63 0.23 0.00 0.00 176.35 176.41 1oqe s ILE 71 N -0.40 4.54 0.21 -0.59 1.01 0.38 -0.58 121.20 125.77 1oqe s ILE 71 Ca 0.06 -0.39 0.10 0.00 0.00 0.00 0.00 60.65 60.42 1oqe s ILE 71 Cb -0.08 -3.29 -0.04 0.00 0.01 0.00 0.00 42.46 39.06 1oqe s ILE 71 CO -0.00 0.11 -0.14 -1.10 0.00 0.00 0.00 174.94 173.81 1oqe s GLN 72 N 1.61 1.88 -0.11 2.79 -0.21 0.23 -1.22 119.66 124.62 1oqe s GLN 72 Ca 0.05 -1.44 0.03 0.00 0.02 0.00 0.00 55.36 54.02 1oqe s GLN 72 Cb -0.17 -2.01 0.00 0.00 1.00 0.00 0.00 33.01 31.84 1oqe s GLN 72 CO 0.06 0.40 -0.23 0.50 -2.12 0.00 0.00 175.29 173.90 1oqe s ARG 73 N -3.01 3.05 -0.46 2.91 3.52 0.19 -1.77 118.95 123.39 1oqe s ARG 73 Ca 0.25 -0.86 -0.15 0.00 -0.13 0.00 0.00 55.73 54.84 1oqe s ARG 73 Cb -0.08 -2.36 0.07 0.00 -1.56 0.00 0.00 34.95 31.02 1oqe s ARG 73 CO 0.14 0.11 0.37 0.15 -0.81 0.00 0.00 175.30 175.26 1oqe s LYS 74 N 0.50 2.93 0.23 5.12 1.02 0.14 -0.72 119.74 128.96 1oqe s LYS 74 Ca -0.15 -1.33 -0.30 0.00 0.02 0.00 0.00 55.97 54.21 1oqe s LYS 74 Cb -0.17 -4.07 -0.09 0.00 -0.52 0.00 0.00 37.83 32.98 1oqe s LYS 74 CO 0.05 -0.99 1.38 0.15 -0.92 0.00 0.00 175.35 175.03 1oqe s LYS 75 N 1.62 4.32 0.11 1.68 1.02 0.46 -2.40 119.74 126.54 1oqe s LYS 75 Ca 0.04 2.19 -0.03 0.00 0.02 0.00 0.00 55.97 58.18 1oqe s LYS 75 Cb -0.24 -3.15 -0.18 0.00 -0.52 0.00 0.00 37.83 33.75 1oqe s LYS 75 CO 0.06 -0.34 1.23 0.28 -0.92 0.00 0.00 175.35 175.66 1oqe h VAL 76 N 3.63 1.47 -3.31 3.17 2.07 -1.88 -3.44 116.25 117.95 1oqe h VAL 76 Ca -0.45 -2.79 -0.64 0.00 0.82 0.00 0.00 66.70 63.63 1oqe h VAL 76 Cb 1.22 2.70 -0.24 0.00 -1.52 0.00 0.00 31.29 33.45 1oqe h VAL 76 CO 0.78 0.82 -0.70 -1.00 0.02 0.00 0.00 177.57 177.48 1oqe s HIS 77 N -2.94 2.95 -0.01 1.57 3.76 -1.26 -5.07 115.29 114.28 1oqe s HIS 77 Ca -0.04 -0.45 0.05 0.00 -0.15 0.00 0.00 55.06 54.47 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 -0.12 -0.15 0.08 -0.85 0.00 0.00 174.74 174.57 1oqe s VAL 78 N 0.40 1.17 0.07 -0.90 1.01 -1.26 -5.03 120.40 115.85 1oqe s VAL 78 Ca -0.06 -0.66 0.08 0.00 0.00 0.00 0.00 61.98 61.34 1oqe s VAL 78 Cb -0.15 -0.98 -0.03 0.00 0.00 0.00 0.00 36.38 35.22 1oqe s VAL 78 CO 0.04 0.31 -0.22 -0.36 0.00 0.00 0.00 175.10 174.87 1oqe s PHE 79 N -0.38 1.93 0.00 5.22 0.40 -1.26 -5.02 117.98 118.88 1oqe s PHE 79 Ca 0.06 -0.39 0.00 0.00 -0.60 0.00 0.00 56.93 55.99 1oqe s PHE 79 Cb -0.06 -1.11 0.00 0.00 0.51 0.00 0.00 43.02 42.36 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 1.51 2.64 1.77 4.36 0.00 -1.26 -1.03 105.19 113.18 1oqe n GLY 80 Ca -0.18 0.30 0.03 0.00 0.00 0.00 0.00 46.02 46.16 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 3.78 5.11 -4.73 1.61 5.75 -1.26 -5.00 116.55 121.80 1oqe n ASP 81 Ca 0.00 -3.07 -0.33 0.00 -0.01 0.00 0.00 54.79 51.38 1oqe n ASP 81 Cb 0.00 -0.69 0.09 0.00 -1.03 0.00 0.00 41.12 39.50 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 -2.88 2.13 -0.02 0.11 2.02 -0.20 -5.00 118.70 114.87 1oqe s GLU 82 Ca 0.53 1.52 -0.14 0.00 0.02 0.00 0.00 54.97 56.90 1oqe s GLU 82 Cb 0.42 -1.86 -0.05 0.00 0.10 0.00 0.00 34.13 32.73 1oqe s GLU 82 CO 0.14 -1.79 0.38 -0.51 0.02 0.00 0.00 175.26 173.50 1oqe s LEU 83 N -5.47 4.46 0.08 1.80 1.02 -1.26 -4.84 118.68 114.47 1oqe s LEU 83 Ca 0.69 0.91 0.26 0.00 0.02 0.00 0.00 54.13 56.01 1oqe s LEU 83 Cb -0.24 -2.54 0.80 0.00 0.02 0.00 0.00 46.19 44.24 1oqe s LEU 83 CO 0.48 0.32 1.67 -1.54 0.02 0.00 0.00 176.35 177.30 1oqe n SER 84 N 1.94 0.46 -4.26 2.29 3.41 -1.26 -4.65 113.62 111.55 1oqe n SER 84 Ca -0.14 0.30 -0.36 0.00 -0.26 0.00 0.00 58.87 58.41 1oqe n SER 84 Cb 0.53 -0.30 -0.13 0.00 -0.26 0.00 0.00 64.21 64.04 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 -3.66 3.73 -0.13 1.04 1.98 -1.26 -0.41 118.68 119.98 1oqe s LEU 85 Ca 0.11 -0.91 -0.00 0.00 -2.89 0.00 0.00 54.13 50.43 1oqe s LEU 85 Cb 0.16 -1.79 -0.02 0.00 0.66 0.00 0.00 46.19 45.20 1oqe s LEU 85 CO 0.62 -0.20 -0.12 -0.69 -1.89 0.00 0.00 176.35 174.06 1oqe s VAL 86 N 1.39 3.12 -0.41 1.68 1.01 0.10 -4.95 120.40 122.34 1oqe s VAL 86 Ca -0.00 -0.64 -0.17 0.00 0.00 0.00 0.00 61.98 61.17 1oqe s VAL 86 Cb -0.18 -2.31 0.02 0.00 0.00 0.00 0.00 36.38 33.91 1oqe s VAL 86 CO -0.00 0.53 0.40 0.28 0.00 0.00 0.00 175.10 176.31 1oqe s THR 87 N 0.29 5.13 -0.01 3.92 -1.32 -1.26 0.55 115.64 122.94 1oqe s THR 87 Ca -0.09 -0.40 -0.21 0.00 -1.21 0.00 0.00 61.69 59.78 1oqe s THR 87 Cb -0.16 -4.00 -0.12 0.00 -1.51 0.00 0.00 72.50 66.71 1oqe s THR 87 CO 0.05 -0.38 0.89 -0.07 -2.21 0.00 0.00 174.62 172.91 1oqe h LEU 88 N 8.94 -0.56 -7.98 9.08 4.07 -1.52 -3.47 115.31 123.88 1oqe h LEU 88 Ca -0.27 -0.03 -0.34 0.00 0.08 0.00 0.00 57.88 57.32 1oqe h LEU 88 Cb 1.11 0.14 -0.28 0.00 1.08 0.00 0.00 40.66 42.72 1oqe h LEU 88 CO 0.77 -0.14 -0.76 -0.36 -1.08 0.00 0.00 178.44 176.88 1oqe s PHE 89 N -3.98 0.58 0.00 1.13 0.40 -1.17 -5.01 117.98 109.94 1oqe s PHE 89 Ca -0.11 -0.16 -0.07 0.00 -0.60 0.00 0.00 56.93 55.99 1oqe s PHE 89 Cb 0.01 -0.37 0.00 0.00 0.51 0.00 0.00 43.02 43.17 1oqe s PHE 89 CO 0.36 -0.02 0.13 -0.98 0.70 0.00 0.00 175.22 175.41 1oqe s ARG 90 N -0.34 0.46 0.11 0.44 1.70 -1.26 -0.47 118.95 119.58 1oqe s ARG 90 Ca 0.01 -0.38 0.00 0.00 -0.47 0.00 0.00 55.73 54.89 1oqe s ARG 90 Cb -0.03 0.19 -0.04 0.00 -0.57 0.00 0.00 34.95 34.49 1oqe s ARG 90 CO -0.00 -0.11 -0.01 0.00 -1.08 0.00 0.00 175.30 174.10 1oqe s ILE 92 N -3.82 0.15 -0.05 0.00 1.01 -1.26 -2.62 121.20 114.61 1oqe s ILE 92 Ca 0.16 -0.42 0.00 0.00 0.00 0.00 0.00 60.65 60.39 1oqe s ILE 92 Cb 0.07 -0.20 0.02 0.00 0.01 0.00 0.00 42.46 42.36 1oqe s ILE 92 CO -0.03 -0.17 -0.03 -1.10 0.00 0.00 0.00 174.94 173.61 1oqe s GLN 93 N -0.63 0.71 0.38 2.79 -1.52 0.51 -4.98 119.66 116.93 1oqe s GLN 93 Ca -0.06 -0.04 -0.26 0.00 -1.95 0.00 0.00 55.36 53.06 1oqe s GLN 93 Cb -0.04 -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 1.15 -0.80 -0.25 0.00 0.00 175.29 175.26 1oqe s ASN 94 N 1.13 6.65 0.02 5.90 0.01 -1.26 -1.08 114.94 126.32 1oqe s ASN 94 Ca -0.08 2.31 0.05 0.00 -0.71 0.00 0.00 52.86 54.43 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 -0.58 -0.10 -0.04 -1.51 0.00 0.00 177.10 174.85 1oqe s MET 95 N -2.20 2.38 0.64 -0.60 -1.94 -0.11 -4.89 119.30 112.57 1oqe s MET 95 Ca 0.55 -0.82 -0.09 0.00 -1.71 0.00 0.00 55.69 53.62 1oqe s MET 95 Cb -0.30 -2.40 0.01 0.00 2.01 0.00 0.00 34.83 34.15 1oqe s MET 95 CO 0.38 0.58 0.99 -2.14 -0.01 0.00 0.00 175.02 174.81 1oqe s PRO 96 N -1.50 2.96 0.08 2.03 0.02 -1.26 -4.27 135.00 133.06 1oqe s PRO 96 Ca 0.17 0.26 -0.00 0.00 0.02 0.00 0.00 61.00 61.44 1oqe s PRO 96 Cb -0.11 -2.15 -0.26 0.00 0.02 0.00 0.00 34.50 32.00 1oqe s PRO 96 CO 0.08 -0.82 1.15 1.49 -0.33 0.00 0.00 177.00 178.57 1oqe h GLU 97 N -0.38 0.17 0.00 5.54 4.57 -1.98 -3.39 114.58 119.12 1oqe h GLU 97 Ca -0.45 -0.30 0.00 0.00 -1.18 0.00 0.00 59.36 57.43 1oqe h GLU 97 Cb 1.25 0.11 0.00 0.00 -0.16 0.00 0.00 28.75 29.95 1oqe h GLU 97 CO 0.62 1.12 0.00 0.25 -1.18 0.00 0.00 179.01 179.83 1oqe n THR 98 N -3.46 0.00 -3.66 0.32 -2.24 -1.26 -4.75 114.28 99.23 1oqe n THR 98 Ca -0.06 0.26 -0.28 0.00 -2.27 0.00 0.00 64.05 61.70 1oqe n THR 98 Cb 1.00 -0.56 -0.10 0.00 -2.10 0.00 0.00 70.33 68.57 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 -0.69 3.46 -4.54 3.22 4.77 -1.26 -5.06 117.00 116.90 1oqe n LEU 99 Ca 0.00 -5.32 -0.53 0.00 -0.03 0.00 0.00 56.01 50.12 1oqe n LEU 99 Cb 0.00 -0.74 -0.07 0.00 -2.33 0.00 0.00 43.42 40.28 1oqe n LEU 99 CO 0.00 1.89 1.62 -2.65 -1.33 0.00 0.00 177.39 176.92 1oqe n PRO 100 N 1.44 1.12 -2.89 3.23 -0.02 -1.26 -4.89 135.00 131.72 1oqe n PRO 100 Ca 0.25 0.36 -0.08 0.00 -2.02 0.00 0.00 63.50 62.00 1oqe n PRO 100 Cb 0.38 -2.29 -0.01 0.00 -0.02 0.00 0.00 33.50 31.56 1oqe n PRO 100 CO 0.00 0.00 0.00 -0.80 1.98 0.00 0.00 175.50 176.68 1oqe s ASN 101 N 5.72 -0.88 -0.06 2.55 0.01 -1.22 -4.15 114.94 116.92 1oqe s ASN 101 Ca 1.05 -1.98 0.01 0.00 -0.71 0.00 0.00 52.86 51.23 1oqe s ASN 101 Cb -0.96 1.44 0.02 0.00 0.41 0.00 0.00 41.25 42.16 1oqe s ASN 101 CO 0.56 -0.08 -0.07 0.20 -1.51 0.00 0.00 177.10 176.20 1oqe s ASN 102 N 0.73 1.34 -0.01 -1.22 0.01 -0.71 -4.98 114.94 110.10 1oqe s ASN 102 Ca 0.30 -0.20 0.02 0.00 -0.71 0.00 0.00 52.86 52.28 1oqe s ASN 102 Cb 0.01 -0.61 -0.03 0.00 0.41 0.00 0.00 41.25 41.02 1oqe s ASN 102 CO -0.08 -0.03 -0.05 -0.94 -1.51 0.00 0.00 177.10 174.49 1oqe s SER 103 N 0.89 4.76 -0.08 -1.22 1.04 -1.26 0.51 113.70 118.34 1oqe s SER 103 Ca -0.11 -0.09 0.02 0.00 0.48 0.00 0.00 55.95 56.25 1oqe s SER 103 Cb -0.15 -1.16 0.01 0.00 0.10 0.00 0.00 66.02 64.82 1oqe s SER 103 CO 0.01 0.30 -0.14 0.00 0.98 0.00 0.00 173.24 174.38 1oqe s TYR 105 N 0.73 2.75 -0.04 0.00 5.04 -1.26 -2.75 117.35 121.82 1oqe s TYR 105 Ca -0.13 -0.12 -0.15 0.00 -2.44 0.00 0.00 57.07 54.24 1oqe s TYR 105 Cb -0.16 -1.63 0.03 0.00 0.35 0.00 0.00 41.96 40.55 1oqe s TYR 105 CO 0.03 0.24 0.33 0.45 -1.34 0.00 0.00 175.55 175.26 1oqe s SER 106 N -0.87 -0.25 0.12 4.32 0.15 -0.78 -5.02 113.70 111.37 1oqe s SER 106 Ca 0.12 0.26 -0.22 0.00 0.70 0.00 0.00 55.95 56.81 1oqe s SER 106 Cb -0.11 0.42 0.06 0.00 -1.71 0.00 0.00 66.02 64.68 1oqe s SER 106 CO 0.02 -0.37 0.56 0.00 1.20 0.00 0.00 173.24 174.65 1oqe s ALA 107 N -0.95 -1.47 0.14 5.45 0.00 -1.26 -1.73 121.76 121.94 1oqe s ALA 107 Ca -0.10 0.49 -0.21 0.00 0.00 0.00 0.00 51.96 52.13 1oqe s ALA 107 Cb -0.04 0.72 0.07 0.00 0.00 0.00 0.00 23.12 23.87 1oqe s ALA 107 CO 0.03 -0.68 1.00 0.41 0.00 0.00 0.00 175.76 176.53 1oqe n GLY 108 N -0.14 0.57 3.59 0.00 0.00 -0.47 -5.00 105.19 103.75 1oqe n GLY 108 Ca -0.17 -1.12 -0.32 0.00 0.00 0.00 0.00 46.02 44.41 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 -2.08 3.60 -0.00 -0.61 1.01 -1.26 -0.57 121.20 121.29 1oqe s ILE 109 Ca 0.23 -0.83 -0.18 0.00 0.00 0.00 0.00 60.65 59.87 1oqe s ILE 109 Cb -0.02 -2.57 0.03 0.00 0.01 0.00 0.00 42.46 39.91 1oqe s ILE 109 CO 0.04 0.37 0.39 0.00 0.00 0.00 0.00 174.94 175.74 1oqe s ALA 110 N -1.01 -0.97 -0.11 9.38 0.00 -0.53 -4.99 121.76 123.53 1oqe s ALA 110 Ca 0.17 0.44 -0.19 0.00 0.00 0.00 0.00 51.96 52.39 1oqe s ALA 110 Cb -0.11 0.15 -0.04 0.00 0.00 0.00 0.00 23.12 23.12 1oqe s ALA 110 CO 0.08 -0.33 0.50 0.21 0.00 0.00 0.00 175.76 176.22 1oqe s LYS 111 N -1.68 4.35 0.15 0.00 2.20 -1.26 -1.24 119.74 122.27 1oqe s LYS 111 Ca -0.11 0.50 0.08 0.00 -0.36 0.00 0.00 55.97 56.08 1oqe s LYS 111 Cb -0.03 -3.43 -0.04 0.00 -1.51 0.00 0.00 37.83 32.81 1oqe s LYS 111 CO 0.03 0.16 -0.17 -0.51 -0.36 0.00 0.00 175.35 174.50 1oqe s LEU 112 N 0.62 2.44 0.26 5.43 1.43 -0.31 -4.99 118.68 123.55 1oqe s LEU 112 Ca 0.27 -0.86 0.11 0.00 -1.03 0.00 0.00 54.13 52.62 1oqe s LEU 112 Cb -0.15 -0.73 -0.05 0.00 0.03 0.00 0.00 46.19 45.29 1oqe s LEU 112 CO 0.11 -0.08 -0.14 -1.61 0.23 0.00 0.00 176.35 174.86 1oqe s GLU 113 N -2.84 1.85 0.06 1.70 2.02 -1.26 -1.06 118.70 119.18 1oqe s GLU 113 Ca 0.14 -1.62 -0.37 0.00 0.02 0.00 0.00 54.97 53.15 1oqe s GLU 113 Cb -0.05 -1.91 -0.16 0.00 0.10 0.00 0.00 34.13 32.11 1oqe s GLU 113 CO 0.05 0.35 1.41 0.39 0.02 0.00 0.00 175.26 177.49 1oqe n GLU 114 N -0.57 1.28 0.00 1.61 1.02 -1.26 -0.50 120.64 122.23 1oqe n GLU 114 Ca -0.06 0.46 0.00 0.00 -0.02 0.00 0.00 57.16 57.54 1oqe n GLU 114 Cb 0.59 -2.13 0.00 0.00 -0.02 0.00 0.00 31.44 29.88 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 2.81 2.82 3.77 0.62 0.00 0.36 -4.83 105.19 110.74 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 -1.21 5.33 0.06 1.61 1.01 0.34 -4.48 116.67 119.33 1oqe s ASP 116 Ca 0.00 2.11 0.06 0.00 0.71 0.00 0.00 52.55 55.43 1oqe s ASP 116 Cb 0.00 -2.57 -0.03 0.00 1.01 0.00 0.00 42.92 41.34 1oqe s ASP 116 CO 0.00 -1.48 -0.17 -1.61 0.21 0.00 0.00 175.17 172.12 1oqe s GLU 117 N -3.72 1.04 0.03 8.23 2.02 -1.01 -1.00 118.70 124.29 1oqe s GLU 117 Ca 0.70 -0.92 0.07 0.00 0.02 0.00 0.00 54.97 54.84 1oqe s GLU 117 Cb -0.23 -1.12 -0.03 0.00 0.10 0.00 0.00 34.13 32.85 1oqe s GLU 117 CO 0.35 0.27 -0.19 -0.51 0.02 0.00 0.00 175.26 175.20 1oqe s LEU 118 N -1.43 2.53 0.05 1.80 1.43 0.54 -0.68 118.68 122.93 1oqe s LEU 118 Ca 0.03 -0.42 -0.08 0.00 -1.03 0.00 0.00 54.13 52.63 1oqe s LEU 118 Cb -0.09 -1.48 -0.00 0.00 0.03 0.00 0.00 46.19 44.65 1oqe s LEU 118 CO 0.02 0.27 0.16 0.00 0.23 0.00 0.00 176.35 177.04 1oqe s GLN 119 N -1.27 0.70 -0.25 1.70 -2.07 -0.73 -1.19 119.66 116.55 1oqe s GLN 119 Ca 0.14 -0.75 -0.04 0.00 -1.82 0.00 0.00 55.36 52.88 1oqe s GLN 119 Cb -0.10 0.28 0.01 0.00 -1.09 0.00 0.00 33.01 32.11 1oqe s GLN 119 CO 0.04 -0.20 -0.01 -1.17 -1.32 0.00 0.00 175.29 172.63 1oqe s LEU 120 N -2.30 3.30 0.05 2.60 1.98 -1.26 -0.60 118.68 122.46 1oqe s LEU 120 Ca -0.02 -0.66 0.09 0.00 -2.89 0.00 0.00 54.13 50.64 1oqe s LEU 120 Cb 0.01 -1.76 -0.03 0.00 0.66 0.00 0.00 46.19 45.07 1oqe s LEU 120 CO -0.06 -0.11 -0.25 0.00 -1.89 0.00 0.00 176.35 174.04 1oqe s ALA 121 N 1.43 2.15 -0.26 5.97 0.00 0.26 -4.43 121.76 126.88 1oqe s ALA 121 Ca 0.03 -1.24 -0.00 0.00 0.00 0.00 0.00 51.96 50.74 1oqe s ALA 121 Cb -0.16 -0.43 0.04 0.00 0.00 0.00 0.00 23.12 22.56 1oqe s ALA 121 CO -0.02 0.50 -0.07 0.42 0.00 0.00 0.00 175.76 176.59 1oqe s ILE 122 N -0.83 2.67 -0.58 0.00 1.01 -0.45 0.22 121.20 123.23 1oqe s ILE 122 Ca 0.11 -1.23 -0.05 0.00 0.00 0.00 0.00 60.65 59.48 1oqe s ILE 122 Cb -0.10 -2.42 -0.08 0.00 0.01 0.00 0.00 42.46 39.87 1oqe s ILE 122 CO 0.02 0.11 2.12 -2.65 0.00 0.00 0.00 174.94 174.55 1oqe n PRO 123 N 4.60 1.70 -3.69 2.79 -0.02 -1.26 -0.01 135.00 139.11 1oqe n PRO 123 Ca -0.16 -1.12 -0.13 0.00 -2.02 0.00 0.00 63.50 60.08 1oqe n PRO 123 Cb 0.45 -2.20 -0.09 0.00 -0.02 0.00 0.00 33.50 31.64 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 2.91 0.59 0.03 -0.52 0.52 -1.18 -4.95 118.95 116.34 1oqe s ARG 124 Ca 0.38 0.76 -0.06 0.00 -0.52 0.00 0.00 55.73 56.29 1oqe s ARG 124 Cb 0.13 0.26 -0.01 0.00 0.52 0.00 0.00 34.95 35.84 1oqe s ARG 124 CO -0.02 -0.09 1.07 0.39 0.02 0.00 0.00 175.30 176.67 1oqe n GLU 125 N 3.04 -0.08 -3.28 3.54 -0.58 -1.25 -3.17 120.64 118.86 1oqe n GLU 125 Ca -0.15 1.06 -0.25 0.00 -0.42 0.00 0.00 57.16 57.40 1oqe n GLU 125 Cb 0.56 -1.58 -0.07 0.00 -0.57 0.00 0.00 31.44 29.78 1oqe n GLU 125 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1oqe n ASN 126 N -3.39 1.67 -4.64 1.62 4.13 -1.26 -4.58 115.26 108.81 1oqe n ASN 126 Ca 0.00 -3.01 -0.54 0.00 1.68 0.00 0.00 54.58 52.71 1oqe n ASN 126 Cb 0.05 -0.65 -0.06 0.00 -1.54 0.00 0.00 39.78 37.57 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 1.14 -0.64 -2.62 5.41 0.00 -1.24 -4.89 120.51 117.67 1oqe n ALA 127 Ca 0.25 0.46 -0.43 0.00 0.00 0.00 0.00 53.44 53.72 1oqe n ALA 127 Cb 0.48 -2.14 -0.04 0.00 0.00 0.00 0.00 19.45 17.75 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 1.81 3.40 0.14 0.00 -1.52 -1.26 -4.99 119.66 117.24 1oqe s GLN 128 Ca 0.90 -0.09 0.05 0.00 -1.95 0.00 0.00 55.36 54.28 1oqe s GLN 128 Cb -1.00 -4.02 -0.04 0.00 -0.22 0.00 0.00 33.01 27.73 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 4.03 1.24 -0.08 1.08 1.09 -1.26 -1.23 121.20 126.07 1oqe s ILE 129 Ca 0.34 -1.88 -0.14 0.00 -1.10 0.00 0.00 60.65 57.87 1oqe s ILE 129 Cb -0.11 -1.67 -0.05 0.00 -1.06 0.00 0.00 42.46 39.57 1oqe s ILE 129 CO 0.22 -0.58 0.34 -0.55 -0.10 0.00 0.00 174.94 174.26 1oqe s SER 130 N -2.81 6.62 -0.30 3.58 0.15 -0.51 -4.87 113.70 115.56 1oqe s SER 130 Ca 0.13 0.74 0.11 0.00 0.70 0.00 0.00 55.95 57.62 1oqe s SER 130 Cb -0.01 -2.20 0.65 0.00 -1.71 0.00 0.00 66.02 62.74 1oqe s SER 130 CO 0.02 0.24 1.67 0.18 1.20 0.00 0.00 173.24 176.55 1oqe n LEU 131 N 2.54 5.28 -4.74 3.45 4.32 -1.26 -4.60 117.00 121.99 1oqe n LEU 131 Ca -0.14 -3.32 -0.41 0.00 -0.02 0.00 0.00 56.01 52.12 1oqe n LEU 131 Cb 0.53 -0.69 -0.05 0.00 -1.62 0.00 0.00 43.42 41.59 1oqe n LEU 131 CO 0.38 0.89 0.68 -1.81 -1.22 0.00 0.00 177.39 176.30 1oqe s ASP 132 N -1.56 7.54 0.65 -1.43 -0.00 -1.26 -3.15 116.67 117.46 1oqe s ASP 132 Ca 0.50 1.92 0.41 0.00 -0.00 0.00 0.00 52.55 55.38 1oqe s ASP 132 Cb 0.42 -2.60 2.27 0.00 -0.00 0.00 0.00 42.92 43.00 1oqe s ASP 132 CO 0.10 0.03 2.33 1.23 -0.00 0.00 0.00 175.17 178.85 1oqe h GLY 133 N 4.75 0.00 0.95 0.21 0.00 -1.83 -2.52 103.07 104.62 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 -0.58 2.09 0.00 0.00 0.00 176.54 178.74 1oqe n ASP 134 N -3.27 0.56 -0.04 0.19 5.75 -1.26 -4.41 116.55 114.08 1oqe n ASP 134 Ca -0.03 -0.22 -0.03 0.00 -0.01 0.00 0.00 54.79 54.50 1oqe n ASP 134 Cb 0.09 0.31 -0.07 0.00 -1.03 0.00 0.00 41.12 40.42 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 -1.63 0.48 -3.91 2.12 0.24 -0.98 -4.94 118.33 109.71 1oqe n VAL 135 Ca 0.05 -0.34 -0.28 0.00 -2.04 0.00 0.00 64.34 61.72 1oqe n VAL 135 Cb 0.36 -0.55 -0.16 0.00 -1.47 0.00 0.00 33.84 32.01 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 -2.30 1.19 0.17 3.34 -4.23 -1.06 -3.77 115.64 108.97 1oqe s THR 136 Ca -0.04 -0.61 -0.08 0.00 -1.18 0.00 0.00 61.69 59.78 1oqe s THR 136 Cb 0.03 -1.30 -0.01 0.00 1.34 0.00 0.00 72.50 72.56 1oqe s THR 136 CO 0.37 0.21 0.26 0.72 -0.54 0.00 0.00 174.62 175.64 1oqe s PHE 137 N 1.61 0.49 -0.11 3.99 -0.12 -0.20 -2.28 117.98 121.35 1oqe s PHE 137 Ca 0.02 -0.84 -0.06 0.00 -0.05 0.00 0.00 56.93 55.99 1oqe s PHE 137 Cb -0.15 -0.12 0.04 0.00 -0.63 0.00 0.00 43.02 42.17 1oqe s PHE 137 CO -0.08 -0.71 0.25 0.12 -0.05 0.00 0.00 175.22 174.75 1oqe s PHE 138 N -3.99 -0.33 0.23 3.49 5.36 -0.43 -0.84 117.98 121.47 1oqe s PHE 138 Ca 0.19 0.79 -0.14 0.00 -0.96 0.00 0.00 56.93 56.82 1oqe s PHE 138 Cb 0.04 0.06 0.00 0.00 -0.34 0.00 0.00 43.02 42.78 1oqe s PHE 138 CO 0.01 -0.22 0.48 0.20 -1.46 0.00 0.00 175.22 174.23 1oqe s GLY 139 N 1.12 0.40 -0.07 13.12 0.00 -0.43 0.12 107.32 121.57 1oqe s GLY 139 Ca -0.08 -0.74 -0.07 0.00 0.00 0.00 0.00 44.72 43.83 1oqe s GLY 139 CO -0.08 -0.56 0.19 0.00 0.00 0.00 0.00 173.10 172.66 1oqe s ALA 140 N -3.99 -0.48 -0.06 3.20 0.00 -0.51 -1.58 121.76 118.35 1oqe s ALA 140 Ca 0.19 0.54 0.02 0.00 0.00 0.00 0.00 51.96 52.72 1oqe s ALA 140 Cb -0.01 -0.32 0.02 0.00 0.00 0.00 0.00 23.12 22.81 1oqe s ALA 140 CO 0.06 -0.09 -0.10 -1.17 0.00 0.00 0.00 175.76 174.47 1oqe s LEU 141 N 0.11 1.54 -0.08 0.00 0.20 0.22 -1.42 118.68 119.26 1oqe s LEU 141 Ca -0.00 -0.24 -0.27 0.00 0.69 0.00 0.00 54.13 54.31 1oqe s LEU 141 Cb -0.01 -0.70 -0.02 0.00 -0.43 0.00 0.00 46.19 45.02 1oqe s LEU 141 CO 0.00 0.00 0.88 -0.75 -0.29 0.00 0.00 176.35 176.20 1oqe s LYS 142 N 0.75 4.44 0.37 1.98 2.20 0.34 -0.15 119.74 129.68 1oqe s LYS 142 Ca -0.13 1.19 -0.17 0.00 -0.36 0.00 0.00 55.97 56.50 1oqe s LYS 142 Cb -0.15 -3.50 -0.10 0.00 -1.51 0.00 0.00 37.83 32.57 1oqe s LYS 142 CO 0.02 -0.14 0.82 -0.51 -0.36 0.00 0.00 175.35 175.19 1oqe s LEU 143 N 1.41 4.00 0.00 5.43 1.43 0.25 -4.32 118.68 126.89 1oqe s LEU 143 Ca 0.45 1.43 0.29 0.00 -1.03 0.00 0.00 54.13 55.26 1oqe s LEU 143 Cb -0.19 -4.25 1.74 0.00 0.03 0.00 0.00 46.19 43.53 1oqe s LEU 143 CO 0.20 -0.28 2.08 0.18 0.23 0.00 0.00 176.35 178.76