#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1oqd s THR 2 N 0.00 1.02 -0.37 2.52 -4.23 -1.26 -5.13 115.64 108.20 1oqd s THR 2 Ca 0.00 -2.03 -0.08 0.00 -1.18 0.00 0.00 61.69 58.39 1oqd s THR 2 Cb 0.00 -2.24 0.05 0.00 1.34 0.00 0.00 72.50 71.65 1oqd s THR 2 CO 0.00 -0.41 0.17 -1.10 -0.54 0.00 0.00 174.62 172.74 1oqd s GLN 3 N -3.85 2.64 0.53 3.99 -0.21 -1.26 -4.96 119.66 116.54 1oqd s GLN 3 Ca 0.26 -1.25 -0.21 0.00 0.02 0.00 0.00 55.36 54.19 1oqd s GLN 3 Cb 0.05 -3.61 -0.06 0.00 1.00 0.00 0.00 33.01 30.40 1oqd s GLN 3 CO 0.07 -0.76 1.21 -0.51 -2.12 0.00 0.00 175.29 173.19 1oqd s ASP 4 N 1.63 5.63 -0.00 5.90 1.11 -1.26 -4.78 116.67 124.90 1oqd s ASP 4 Ca 0.01 2.41 -0.29 0.00 0.18 0.00 0.00 52.55 54.86 1oqd s ASP 4 Cb -0.20 -2.61 0.08 0.00 1.07 0.00 0.00 42.92 41.26 1oqd s ASP 4 CO 0.03 -1.29 0.72 0.00 1.18 0.00 0.00 175.17 175.81 1oqd s LEU 6 N -1.70 0.85 -0.04 0.00 0.20 -0.58 -0.79 118.68 116.61 1oqd s LEU 6 Ca -0.05 0.11 0.07 0.00 0.69 0.00 0.00 54.13 54.95 1oqd s LEU 6 Cb -0.00 0.03 -0.01 0.00 -0.43 0.00 0.00 46.19 45.77 1oqd s LEU 6 CO 0.01 -0.15 -0.25 -1.58 -0.29 0.00 0.00 176.35 174.09 1oqd s GLN 7 N 1.26 2.34 0.10 1.98 0.74 -0.22 -1.87 119.66 123.99 1oqd s GLN 7 Ca -0.07 -0.90 0.08 0.00 0.05 0.00 0.00 55.36 54.52 1oqd s GLN 7 Cb -0.13 -2.08 -0.04 0.00 1.10 0.00 0.00 33.01 31.87 1oqd s GLN 7 CO -0.04 0.44 -0.14 -0.51 -0.55 0.00 0.00 175.29 174.50 1oqd s LEU 8 N -0.32 2.88 0.04 3.68 1.02 0.22 -0.59 118.68 125.60 1oqd s LEU 8 Ca 0.02 -0.44 0.05 0.00 0.02 0.00 0.00 54.13 53.77 1oqd s LEU 8 Cb -0.12 -1.69 -0.02 0.00 0.02 0.00 0.00 46.19 44.37 1oqd s LEU 8 CO 0.02 0.19 -0.14 -0.63 0.02 0.00 0.00 176.35 175.81 1oqd s ILE 9 N -1.15 1.09 0.37 -0.59 1.01 0.69 -1.59 121.20 121.03 1oqd s ILE 9 Ca 0.19 -0.99 -0.28 0.00 0.00 0.00 0.00 60.65 59.57 1oqd s ILE 9 Cb -0.11 -0.99 -0.11 0.00 0.01 0.00 0.00 42.46 41.26 1oqd s ILE 9 CO 0.11 -0.00 1.46 0.00 0.00 0.00 0.00 174.94 176.51 1oqd n ALA 10 N 1.90 2.21 -3.49 9.38 0.00 -0.97 0.02 120.51 129.57 1oqd n ALA 10 Ca -0.18 0.35 -0.42 0.00 0.00 0.00 0.00 53.44 53.18 1oqd n ALA 10 Cb 0.55 -2.40 -0.07 0.00 0.00 0.00 0.00 19.45 17.54 1oqd n ALA 10 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1oqd s ASP 11 N -0.13 5.95 0.00 0.00 2.15 0.82 -4.17 116.67 121.28 1oqd s ASP 11 Ca 0.54 -2.21 0.03 0.00 0.43 0.00 0.00 52.55 51.34 1oqd s ASP 11 Cb -0.49 -2.06 0.13 0.00 -0.30 0.00 0.00 42.92 40.19 1oqd s ASP 11 CO 0.63 -0.65 0.98 -1.54 -0.17 0.00 0.00 175.17 174.42 1oqd n SER 12 N 4.54 0.00 -0.93 -0.34 3.41 -1.19 -2.58 113.62 116.53 1oqd n SER 12 Ca -0.02 0.35 0.11 0.00 -0.26 0.00 0.00 58.87 59.05 1oqd n SER 12 Cb 0.41 -0.37 0.27 0.00 -0.26 0.00 0.00 64.21 64.26 1oqd n SER 12 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1oqd n GLU 13 N -1.37 2.21 -4.09 4.33 1.02 -1.26 -4.91 120.64 116.56 1oqd n GLU 13 Ca 0.01 -1.84 -0.13 0.00 -0.02 0.00 0.00 57.16 55.19 1oqd n GLU 13 Cb 0.03 -1.46 -0.11 0.00 -0.02 0.00 0.00 31.44 29.88 1oqd n GLU 13 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1oqd s THR 14 N -1.56 0.60 0.63 2.62 -4.23 -1.06 -5.14 115.64 107.49 1oqd s THR 14 Ca 0.36 -1.31 -0.18 0.00 -1.18 0.00 0.00 61.69 59.39 1oqd s THR 14 Cb 0.20 -0.90 -0.02 0.00 1.34 0.00 0.00 72.50 73.12 1oqd s THR 14 CO 0.29 -0.50 1.19 -2.84 -0.54 0.00 0.00 174.62 172.22 1oqd s PRO 15 N -2.17 2.80 0.28 3.99 0.02 -1.26 -4.88 135.00 133.78 1oqd s PRO 15 Ca -0.04 1.76 -0.29 0.00 0.02 0.00 0.00 61.00 62.44 1oqd s PRO 15 Cb -0.06 -1.91 -0.10 0.00 0.02 0.00 0.00 34.50 32.45 1oqd s PRO 15 CO -0.01 -1.32 1.29 0.95 -0.33 0.00 0.00 177.00 177.58 1oqd s THR 16 N -1.76 2.93 0.02 0.99 -4.23 -1.26 -4.68 115.64 107.64 1oqd s THR 16 Ca 0.75 0.87 -0.30 0.00 -1.18 0.00 0.00 61.69 61.83 1oqd s THR 16 Cb -0.29 -3.55 -0.04 0.00 1.34 0.00 0.00 72.50 69.95 1oqd s THR 16 CO 0.36 0.18 1.12 -0.63 -0.54 0.00 0.00 174.62 175.11 1oqd s ILE 17 N -0.72 4.36 -0.11 2.99 1.01 -0.45 -4.88 121.20 123.41 1oqd s ILE 17 Ca 0.51 1.69 -0.04 0.00 0.00 0.00 0.00 60.65 62.82 1oqd s ILE 17 Cb -0.38 -4.09 -0.04 0.00 0.01 0.00 0.00 42.46 37.97 1oqd s ILE 17 CO 0.47 0.11 0.04 -1.58 0.00 0.00 0.00 174.94 173.98 1oqd s GLN 18 N 1.19 3.28 -0.29 2.79 2.00 -1.26 -0.56 119.66 126.80 1oqd s GLN 18 Ca 0.56 -0.35 -0.21 0.00 -2.00 0.00 0.00 55.36 53.36 1oqd s GLN 18 Cb -0.26 -2.94 0.18 0.00 0.80 0.00 0.00 33.01 30.79 1oqd s GLN 18 CO 0.28 0.62 1.25 0.21 -0.50 0.00 0.00 175.29 177.14 1oqd s LYS 19 N -0.63 0.18 -1.26 1.67 2.20 -0.77 -4.96 119.74 116.17 1oqd s LYS 19 Ca 0.11 0.26 -0.08 0.00 -0.36 0.00 0.00 55.97 55.90 1oqd s LYS 19 Cb -0.12 0.07 0.06 0.00 -1.51 0.00 0.00 37.83 36.33 1oqd s LYS 19 CO 0.02 -0.03 0.44 0.41 -0.36 0.00 0.00 175.35 175.84 1oqd n GLY 20 N 2.46 -0.49 2.42 5.54 0.00 -1.26 0.09 105.19 113.94 1oqd n GLY 20 Ca -0.14 0.08 -0.19 0.00 0.00 0.00 0.00 46.02 45.77 1oqd n GLY 20 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1oqd n SER 21 N -2.25 -5.44 -4.37 1.61 3.41 -1.26 -5.00 113.62 100.33 1oqd n SER 21 Ca -0.03 0.12 -0.26 0.00 -0.26 0.00 0.00 58.87 58.44 1oqd n SER 21 Cb 0.55 -4.53 -0.12 0.00 -0.26 0.00 0.00 64.21 59.85 1oqd n SER 21 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 1oqd s TYR 22 N -2.88 2.11 -0.15 7.33 1.51 0.11 -3.58 117.35 121.81 1oqd s TYR 22 Ca 0.00 -0.40 -0.03 0.00 -1.01 0.00 0.00 57.07 55.64 1oqd s TYR 22 Cb 0.00 -1.10 -0.02 0.00 -0.11 0.00 0.00 41.96 40.72 1oqd s TYR 22 CO 0.00 0.35 -0.06 0.99 -1.11 0.00 0.00 175.55 175.72 1oqd s THR 23 N -1.41 3.65 -0.14 -0.71 2.01 0.76 -1.85 115.64 117.95 1oqd s THR 23 Ca 0.14 -0.45 0.01 0.00 0.31 0.00 0.00 61.69 61.70 1oqd s THR 23 Cb -0.09 -2.58 -0.01 0.00 0.01 0.00 0.00 72.50 69.84 1oqd s THR 23 CO 0.07 0.51 -0.16 -0.36 -0.69 0.00 0.00 174.62 173.98 1oqd s PHE 24 N 0.33 2.75 0.24 4.92 0.40 0.28 -1.54 117.98 125.36 1oqd s PHE 24 Ca -0.06 -0.89 -0.30 0.00 -0.60 0.00 0.00 56.93 55.08 1oqd s PHE 24 Cb -0.15 -1.84 -0.10 0.00 0.51 0.00 0.00 43.02 41.45 1oqd s PHE 24 CO 0.04 -0.37 1.37 0.08 0.70 0.00 0.00 175.22 177.04 1oqd s VAL 25 N 0.55 2.88 -0.49 -0.44 1.01 -1.26 -1.33 120.40 121.32 1oqd s VAL 25 Ca -0.10 0.75 -0.29 0.00 0.00 0.00 0.00 61.98 62.35 1oqd s VAL 25 Cb -0.16 -3.48 0.03 0.00 0.00 0.00 0.00 36.38 32.77 1oqd s VAL 25 CO 0.04 0.12 1.12 -2.84 0.00 0.00 0.00 175.10 173.54 1oqd s PRO 26 N -0.47 3.68 0.40 2.72 0.02 -1.26 -4.87 135.00 135.22 1oqd s PRO 26 Ca 0.57 0.49 -0.07 0.00 0.02 0.00 0.00 61.00 62.01 1oqd s PRO 26 Cb -0.39 -3.92 -0.05 0.00 0.02 0.00 0.00 34.50 30.15 1oqd s PRO 26 CO 0.43 -1.40 0.71 -1.58 -0.33 0.00 0.00 177.00 174.83 1oqd s TRP 27 N 4.44 3.50 -0.00 6.54 0.52 -1.26 -0.13 118.94 132.55 1oqd s TRP 27 Ca 0.46 0.82 0.01 0.00 0.02 0.00 0.00 56.10 57.42 1oqd s TRP 27 Cb -0.07 -2.28 -0.00 0.00 -1.15 0.00 0.00 33.47 29.97 1oqd s TRP 27 CO 0.31 -0.08 -0.04 -1.17 0.02 0.00 0.00 176.95 175.99 1oqd s LEU 28 N -4.11 2.01 0.13 2.99 2.96 0.10 -4.71 118.68 118.05 1oqd s LEU 28 Ca 0.47 -0.07 -0.31 0.00 -0.22 0.00 0.00 54.13 54.00 1oqd s LEU 28 Cb -0.10 -0.17 -0.09 0.00 0.50 0.00 0.00 46.19 46.32 1oqd s LEU 28 CO 0.36 0.03 1.58 -0.22 -1.32 0.00 0.00 176.35 176.78 1oqd s LEU 29 N -0.12 4.37 -0.16 -0.68 2.96 -1.26 -0.22 118.68 123.56 1oqd s LEU 29 Ca 0.01 2.54 -0.13 0.00 -0.22 0.00 0.00 54.13 56.33 1oqd s LEU 29 Cb -0.02 -3.58 -0.08 0.00 0.50 0.00 0.00 46.19 43.01 1oqd s LEU 29 CO -0.00 -0.83 -0.04 -1.28 -1.32 0.00 0.00 176.35 172.88 1oqd h SER 30 N 7.34 0.00 -4.51 3.68 0.87 -1.16 -3.45 113.55 116.32 1oqd h SER 30 Ca -0.42 -0.17 0.05 0.00 -1.23 0.00 0.00 61.79 60.01 1oqd h SER 30 Cb 1.20 0.00 -0.19 0.00 -0.44 0.00 0.00 62.40 62.97 1oqd h SER 30 CO 0.92 0.99 0.43 0.72 -0.53 0.00 0.00 176.83 179.35 1oqd s PHE 31 N -2.26 -0.45 -0.03 2.24 -0.12 -1.03 -4.99 117.98 111.34 1oqd s PHE 31 Ca -0.19 0.63 0.02 0.00 -0.05 0.00 0.00 56.93 57.34 1oqd s PHE 31 Cb 0.03 0.47 0.01 0.00 -0.63 0.00 0.00 43.02 42.90 1oqd s PHE 31 CO 0.34 -0.49 -0.07 0.21 -0.05 0.00 0.00 175.22 175.16 1oqd s LYS 32 N -1.77 0.81 -0.06 1.99 2.20 -1.26 -1.05 119.74 120.59 1oqd s LYS 32 Ca -0.02 -0.22 -0.02 0.00 -0.36 0.00 0.00 55.97 55.35 1oqd s LYS 32 Cb -0.01 -0.78 0.03 0.00 -1.51 0.00 0.00 37.83 35.57 1oqd s LYS 32 CO 0.00 0.05 0.05 0.50 -0.36 0.00 0.00 175.35 175.59 1oqd s ARG 33 N 0.37 0.10 0.23 4.03 3.52 0.03 -5.01 118.95 122.21 1oqd s ARG 33 Ca -0.05 0.26 0.00 0.00 -0.13 0.00 0.00 55.73 55.81 1oqd s ARG 33 Cb -0.09 -0.77 0.00 0.00 -1.56 0.00 0.00 34.95 32.53 1oqd s ARG 33 CO 0.00 -0.36 0.00 0.41 -0.81 0.00 0.00 175.30 174.54 1oqd n GLY 34 N 5.26 -1.80 0.00 8.12 0.00 -1.26 -1.37 105.19 114.14 1oqd n GLY 34 Ca -0.04 -1.93 0.00 0.00 0.00 0.00 0.00 46.02 44.04 1oqd n GLY 34 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1oqd n SER 35 N 0.07 2.06 0.30 1.61 3.41 -1.26 -4.77 113.62 115.04 1oqd n SER 35 Ca 0.00 -0.27 0.17 0.00 -0.26 0.00 0.00 58.87 58.51 1oqd n SER 35 Cb 0.00 0.95 0.92 0.00 -0.26 0.00 0.00 64.21 65.81 1oqd n SER 35 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1oqd h ALA 36 N 0.00 1.19 -3.95 7.33 0.00 -1.92 -3.42 119.26 118.48 1oqd h ALA 36 Ca 0.00 -0.04 -0.40 0.00 0.00 0.00 0.00 54.91 54.47 1oqd h ALA 36 Cb 0.00 -0.01 -0.29 0.00 0.00 0.00 0.00 17.79 17.49 1oqd h ALA 36 CO 0.00 0.05 -0.78 -0.51 0.00 0.00 0.00 179.25 178.01 1oqd s LEU 37 N -6.82 1.92 0.11 0.00 1.43 -1.26 -0.22 118.68 113.84 1oqd s LEU 37 Ca -0.03 -0.17 0.03 0.00 -1.03 0.00 0.00 54.13 52.93 1oqd s LEU 37 Cb 0.13 -0.49 -0.04 0.00 0.03 0.00 0.00 46.19 45.82 1oqd s LEU 37 CO 0.52 0.09 -0.09 -1.61 0.23 0.00 0.00 176.35 175.49 1oqd s GLU 38 N -0.05 0.87 -0.07 1.70 2.02 -0.14 -4.88 118.70 118.15 1oqd s GLU 38 Ca 0.01 -1.27 -0.13 0.00 0.02 0.00 0.00 54.97 53.59 1oqd s GLU 38 Cb -0.05 -0.41 -0.05 0.00 0.10 0.00 0.00 34.13 33.71 1oqd s GLU 38 CO -0.00 0.04 0.33 -1.83 0.02 0.00 0.00 175.26 173.82 1oqd s GLU 39 N -3.35 3.94 -0.14 1.61 -1.05 -1.26 0.52 118.70 118.97 1oqd s GLU 39 Ca 0.10 0.23 -0.05 0.00 -0.15 0.00 0.00 54.97 55.09 1oqd s GLU 39 Cb 0.01 -3.28 0.07 0.00 -0.44 0.00 0.00 34.13 30.49 1oqd s GLU 39 CO -0.02 0.55 0.30 0.21 0.95 0.00 0.00 175.26 177.25 1oqd s LYS 40 N -0.55 0.20 -1.48 -4.83 2.20 0.95 -4.85 119.74 111.38 1oqd s LYS 40 Ca 0.20 0.79 -0.07 0.00 -0.36 0.00 0.00 55.97 56.53 1oqd s LYS 40 Cb -0.15 0.03 0.01 0.00 -1.51 0.00 0.00 37.83 36.21 1oqd s LYS 40 CO 0.09 -0.26 0.14 0.39 -0.36 0.00 0.00 175.35 175.35 1oqd n GLU 41 N 5.21 -0.81 -1.40 4.03 1.02 -1.26 0.23 120.64 127.66 1oqd n GLU 41 Ca -0.09 0.09 -0.12 0.00 -0.02 0.00 0.00 57.16 57.01 1oqd n GLU 41 Cb 0.50 -3.36 -0.05 0.00 -0.02 0.00 0.00 31.44 28.51 1oqd n GLU 41 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1oqd n ASN 42 N -2.73 -4.44 -4.29 1.62 4.05 -1.26 -5.00 115.26 103.21 1oqd n ASN 42 Ca -0.28 0.29 -0.15 0.00 0.45 0.00 0.00 54.58 54.88 1oqd n ASN 42 Cb 0.67 -3.05 -0.10 0.00 1.23 0.00 0.00 39.78 38.53 1oqd n ASN 42 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 177.26 173.67 1oqd s LYS 43 N -3.12 1.31 -0.27 1.20 1.02 0.13 -4.87 119.74 115.15 1oqd s LYS 43 Ca 0.00 -1.68 -0.10 0.00 0.02 0.00 0.00 55.97 54.21 1oqd s LYS 43 Cb 0.00 -0.26 -0.04 0.00 -0.52 0.00 0.00 37.83 37.01 1oqd s LYS 43 CO 0.00 -0.24 0.15 0.42 -0.92 0.00 0.00 175.35 174.76 1oqd s ILE 44 N -3.72 4.97 -0.16 2.17 1.01 -0.34 -0.04 121.20 125.08 1oqd s ILE 44 Ca 0.33 0.05 -0.13 0.00 0.00 0.00 0.00 60.65 60.90 1oqd s ILE 44 Cb 0.07 -3.35 -0.05 0.00 0.01 0.00 0.00 42.46 39.14 1oqd s ILE 44 CO 0.10 0.28 0.27 -0.22 0.00 0.00 0.00 174.94 175.37 1oqd s LEU 45 N 1.71 4.25 -0.14 2.97 2.96 0.19 -0.14 118.68 130.48 1oqd s LEU 45 Ca 0.07 0.48 -0.20 0.00 -0.22 0.00 0.00 54.13 54.26 1oqd s LEU 45 Cb -0.16 -2.33 -0.03 0.00 0.50 0.00 0.00 46.19 44.17 1oqd s LEU 45 CO 0.08 0.13 0.58 -0.69 -1.32 0.00 0.00 176.35 175.13 1oqd s VAL 46 N 0.33 5.10 -0.52 1.68 1.01 -0.24 -0.97 120.40 126.79 1oqd s VAL 46 Ca 0.15 1.13 0.12 0.00 0.00 0.00 0.00 61.98 63.39 1oqd s VAL 46 Cb -0.13 -3.91 -0.14 0.00 0.00 0.00 0.00 36.38 32.21 1oqd s VAL 46 CO 0.03 0.23 0.49 0.29 0.00 0.00 0.00 175.10 176.15 1oqd n LYS 47 N 4.21 2.73 -3.90 2.72 4.76 0.69 -0.82 118.16 128.56 1oqd n LYS 47 Ca -0.04 -0.01 -0.17 0.00 -2.87 0.00 0.00 58.31 55.22 1oqd n LYS 47 Cb 0.51 -1.09 -0.16 0.00 -1.84 0.00 0.00 35.03 32.44 1oqd n LYS 47 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 1oqd s GLU 48 N -2.22 0.24 0.48 1.97 2.02 -1.23 -4.77 118.70 115.20 1oqd s GLU 48 Ca 0.04 0.09 -0.20 0.00 0.02 0.00 0.00 54.97 54.92 1oqd s GLU 48 Cb 0.09 -0.44 -0.09 0.00 0.10 0.00 0.00 34.13 33.79 1oqd s GLU 48 CO 0.50 -0.14 1.01 0.95 0.02 0.00 0.00 175.26 177.60 1oqd s THR 49 N 1.02 3.98 -3.97 3.63 -4.23 -1.26 -4.53 115.64 110.28 1oqd s THR 49 Ca -0.10 1.21 0.00 0.00 -1.18 0.00 0.00 61.69 61.62 1oqd s THR 49 Cb -0.13 -3.50 0.00 0.00 1.34 0.00 0.00 72.50 70.21 1oqd s THR 49 CO -0.02 -0.29 0.00 0.61 -0.54 0.00 0.00 174.62 174.38 1oqd n GLY 50 N -0.44 -0.79 3.63 3.99 0.00 -0.57 -4.95 105.19 106.06 1oqd n GLY 50 Ca 0.09 -1.05 -0.35 0.00 0.00 0.00 0.00 46.02 44.70 1oqd n GLY 50 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1oqd s TYR 51 N -3.00 3.26 0.09 1.61 1.51 -1.26 -1.52 117.35 118.04 1oqd s TYR 51 Ca 0.00 0.08 0.09 0.00 -1.01 0.00 0.00 57.07 56.23 1oqd s TYR 51 Cb 0.00 -2.14 -0.03 0.00 -0.11 0.00 0.00 41.96 39.68 1oqd s TYR 51 CO 0.00 0.10 -0.23 -0.06 -1.11 0.00 0.00 175.55 174.24 1oqd s PHE 52 N 0.62 2.02 -0.27 2.71 0.40 -0.40 -0.43 117.98 122.64 1oqd s PHE 52 Ca 0.05 -0.40 -0.12 0.00 -0.60 0.00 0.00 56.93 55.85 1oqd s PHE 52 Cb -0.13 -1.13 -0.05 0.00 0.51 0.00 0.00 43.02 42.22 1oqd s PHE 52 CO 0.01 0.22 0.25 0.12 0.70 0.00 0.00 175.22 176.53 1oqd s PHE 53 N -1.02 3.24 -0.04 0.36 5.36 0.81 -1.39 117.98 125.30 1oqd s PHE 53 Ca 0.10 0.24 0.05 0.00 -0.96 0.00 0.00 56.93 56.36 1oqd s PHE 53 Cb -0.10 -2.44 -0.02 0.00 -0.34 0.00 0.00 43.02 40.12 1oqd s PHE 53 CO 0.04 -0.15 -0.19 0.42 -1.46 0.00 0.00 175.22 173.88 1oqd s ILE 54 N 1.77 2.62 0.07 3.12 1.01 0.04 -0.47 121.20 129.37 1oqd s ILE 54 Ca 0.10 -0.89 -0.08 0.00 0.00 0.00 0.00 60.65 59.78 1oqd s ILE 54 Cb -0.16 -1.99 -0.00 0.00 0.01 0.00 0.00 42.46 40.32 1oqd s ILE 54 CO 0.10 0.58 0.17 -0.72 0.00 0.00 0.00 174.94 175.07 1oqd s TYR 55 N -0.59 0.16 -0.12 3.97 -0.85 -0.05 -1.37 117.35 118.49 1oqd s TYR 55 Ca 0.09 -0.55 -0.30 0.00 -0.52 0.00 0.00 57.07 55.78 1oqd s TYR 55 Cb -0.11 -0.08 0.11 0.00 0.38 0.00 0.00 41.96 42.26 1oqd s TYR 55 CO 0.00 -0.50 0.89 0.20 -1.52 0.00 0.00 175.55 174.63 1oqd s GLY 56 N -2.68 -0.37 -0.02 5.49 0.00 -0.99 -0.80 107.32 107.95 1oqd s GLY 56 Ca 0.03 1.80 -0.05 0.00 0.00 0.00 0.00 44.72 46.50 1oqd s GLY 56 CO -0.09 1.01 0.11 1.62 0.00 0.00 0.00 173.10 175.75 1oqd s GLN 57 N -1.13 0.29 -0.00 2.90 0.74 -0.05 -2.20 119.66 120.20 1oqd s GLN 57 Ca -0.05 -0.13 0.00 0.00 0.05 0.00 0.00 55.36 55.24 1oqd s GLN 57 Cb -0.00 0.12 0.00 0.00 1.10 0.00 0.00 33.01 34.23 1oqd s GLN 57 CO 0.04 -0.06 -0.01 0.08 -0.55 0.00 0.00 175.29 174.80 1oqd s VAL 58 N -0.64 0.10 -0.38 1.34 1.01 -1.07 -0.95 120.40 119.82 1oqd s VAL 58 Ca -0.07 -0.04 -0.15 0.00 0.00 0.00 0.00 61.98 61.72 1oqd s VAL 58 Cb -0.04 -0.10 0.00 0.00 0.00 0.00 0.00 36.38 36.23 1oqd s VAL 58 CO 0.01 0.04 0.31 -0.22 0.00 0.00 0.00 175.10 175.23 1oqd s LEU 59 N 0.06 4.78 -0.16 3.92 0.20 -1.24 -1.41 118.68 124.83 1oqd s LEU 59 Ca -0.00 -0.61 -0.18 0.00 0.69 0.00 0.00 54.13 54.03 1oqd s LEU 59 Cb -0.02 -2.21 -0.04 0.00 -0.43 0.00 0.00 46.19 43.50 1oqd s LEU 59 CO -0.00 -0.38 0.49 -0.31 -0.29 0.00 0.00 176.35 175.86 1oqd s TYR 60 N 1.81 3.44 -0.18 5.38 1.51 0.72 -1.61 117.35 128.42 1oqd s TYR 60 Ca 0.07 0.82 0.15 0.00 -1.01 0.00 0.00 57.07 57.10 1oqd s TYR 60 Cb -0.18 -2.60 0.44 0.00 -0.11 0.00 0.00 41.96 39.50 1oqd s TYR 60 CO 0.11 0.04 1.19 0.25 -1.11 0.00 0.00 175.55 176.03 1oqd n THR 61 N 4.11 1.68 -4.58 -0.71 -2.24 -0.61 -1.54 114.28 110.38 1oqd n THR 61 Ca -0.06 -2.88 -0.34 0.00 -2.27 0.00 0.00 64.05 58.50 1oqd n THR 61 Cb 0.51 0.01 -0.12 0.00 -2.10 0.00 0.00 70.33 68.63 1oqd n THR 61 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1oqd s ASP 62 N -3.07 4.62 -0.17 3.42 3.68 -1.07 -4.74 116.67 119.35 1oqd s ASP 62 Ca 0.39 -0.08 0.05 0.00 2.13 0.00 0.00 52.55 55.03 1oqd s ASP 62 Cb 0.38 -1.39 0.41 0.00 -1.45 0.00 0.00 42.92 40.86 1oqd s ASP 62 CO -0.07 0.29 1.30 2.29 0.13 0.00 0.00 175.17 179.10 1oqd n LYS 63 N 2.74 2.54 -0.56 4.34 2.85 -1.26 -4.71 118.16 124.08 1oqd n LYS 63 Ca -0.18 -1.66 -0.06 0.00 -1.05 0.00 0.00 58.31 55.36 1oqd n LYS 63 Cb 0.53 -1.80 -0.08 0.00 -0.65 0.00 0.00 35.03 33.02 1oqd n LYS 63 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 177.40 179.76 1oqd n THR 64 N 0.05 1.77 0.00 0.58 -1.04 -1.26 -4.80 114.28 109.58 1oqd n THR 64 Ca 0.22 -0.81 0.00 0.00 -2.04 0.00 0.00 64.05 61.42 1oqd n THR 64 Cb 0.91 -1.70 0.00 0.00 -1.82 0.00 0.00 70.33 67.72 1oqd n THR 64 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1oqd n TYR 65 N 2.43 0.00 -3.66 -1.42 0.18 -1.26 -4.50 117.16 108.93 1oqd n TYR 65 Ca 0.21 0.00 -0.08 0.00 1.88 0.00 0.00 57.90 59.90 1oqd n TYR 65 Cb 0.53 0.00 -0.09 0.00 -0.38 0.00 0.00 39.34 39.39 1oqd n TYR 65 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 1oqd s ALA 66 N 0.00 -1.18 0.28 -3.48 0.00 -1.26 -1.16 121.76 114.96 1oqd s ALA 66 Ca 0.00 1.55 0.07 0.00 0.00 0.00 0.00 51.96 53.58 1oqd s ALA 66 Cb 0.00 -1.28 -0.06 0.00 0.00 0.00 0.00 23.12 21.78 1oqd s ALA 66 CO 0.00 -0.68 -0.07 -1.64 0.00 0.00 0.00 175.76 173.37 1oqd s MET 67 N 2.41 1.55 0.00 0.00 -1.94 -0.33 -4.95 119.30 116.04 1oqd s MET 67 Ca -0.03 -1.78 0.00 0.00 -1.71 0.00 0.00 55.69 52.17 1oqd s MET 67 Cb -0.11 -1.19 0.00 0.00 2.01 0.00 0.00 34.83 35.54 1oqd s MET 67 CO -0.13 0.06 0.00 0.41 -0.01 0.00 0.00 175.02 175.34 1oqd n GLY 68 N -0.58 0.50 3.25 -0.03 0.00 -1.26 -0.38 105.19 106.70 1oqd n GLY 68 Ca -0.06 -1.03 -0.14 0.00 0.00 0.00 0.00 46.02 44.80 1oqd n GLY 68 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1oqd s HIS 69 N -2.00 1.34 -0.02 1.61 -3.43 -1.10 -4.18 115.29 107.50 1oqd s HIS 69 Ca 0.00 -1.32 0.05 0.00 -0.80 0.00 0.00 55.06 52.99 1oqd s HIS 69 Cb 0.00 -0.70 -0.01 0.00 -1.43 0.00 0.00 32.58 30.44 1oqd s HIS 69 CO 0.00 -0.53 -0.17 -0.51 -2.00 0.00 0.00 174.74 171.53 1oqd s LEU 70 N -3.23 1.98 -0.33 5.38 1.43 0.30 -2.18 118.68 122.03 1oqd s LEU 70 Ca 0.38 -0.31 -0.10 0.00 -1.03 0.00 0.00 54.13 53.07 1oqd s LEU 70 Cb 0.07 -0.89 0.00 0.00 0.03 0.00 0.00 46.19 45.41 1oqd s LEU 70 CO 0.13 0.18 0.17 -0.63 0.23 0.00 0.00 176.35 176.44 1oqd s ILE 71 N -0.24 4.65 0.25 -0.59 1.01 0.03 -0.16 121.20 126.14 1oqd s ILE 71 Ca 0.03 -0.52 0.09 0.00 0.00 0.00 0.00 60.65 60.25 1oqd s ILE 71 Cb -0.08 -3.43 -0.04 0.00 0.01 0.00 0.00 42.46 38.91 1oqd s ILE 71 CO 0.00 -0.02 -0.03 -1.10 0.00 0.00 0.00 174.94 173.79 1oqd s GLN 72 N 1.61 2.23 -0.09 2.79 -0.21 0.69 -1.14 119.66 125.52 1oqd s GLN 72 Ca 0.04 -1.39 0.03 0.00 0.02 0.00 0.00 55.36 54.05 1oqd s GLN 72 Cb -0.18 -2.15 0.01 0.00 1.00 0.00 0.00 33.01 31.69 1oqd s GLN 72 CO 0.07 0.38 -0.18 0.50 -2.12 0.00 0.00 175.29 173.94 1oqd s ARG 73 N -3.48 2.37 -0.44 2.91 3.52 0.22 -1.75 118.95 122.30 1oqd s ARG 73 Ca 0.30 -0.64 -0.13 0.00 -0.13 0.00 0.00 55.73 55.14 1oqd s ARG 73 Cb -0.07 -1.88 0.07 0.00 -1.56 0.00 0.00 34.95 31.50 1oqd s ARG 73 CO 0.19 0.07 0.32 0.15 -0.81 0.00 0.00 175.30 175.21 1oqd s LYS 74 N 0.61 2.82 0.26 5.12 1.02 -0.08 -0.24 119.74 129.25 1oqd s LYS 74 Ca -0.14 -1.34 -0.30 0.00 0.02 0.00 0.00 55.97 54.21 1oqd s LYS 74 Cb -0.16 -3.94 -0.10 0.00 -0.52 0.00 0.00 37.83 33.11 1oqd s LYS 74 CO 0.04 -0.94 1.34 0.15 -0.92 0.00 0.00 175.35 175.02 1oqd s LYS 75 N 1.55 4.35 0.08 1.68 1.02 0.68 -2.42 119.74 126.69 1oqd s LYS 75 Ca 0.03 2.18 -0.10 0.00 0.02 0.00 0.00 55.97 58.10 1oqd s LYS 75 Cb -0.23 -3.13 -0.21 0.00 -0.52 0.00 0.00 37.83 33.74 1oqd s LYS 75 CO 0.05 -0.27 1.19 0.28 -0.92 0.00 0.00 175.35 175.69 1oqd h VAL 76 N 3.42 1.34 -3.35 3.17 2.07 -1.87 -3.44 116.25 117.59 1oqd h VAL 76 Ca -0.47 -2.45 -0.65 0.00 0.82 0.00 0.00 66.70 63.96 1oqd h VAL 76 Cb 1.22 2.55 -0.21 0.00 -1.52 0.00 0.00 31.29 33.33 1oqd h VAL 76 CO 0.73 0.74 -0.67 -1.00 0.02 0.00 0.00 177.57 177.39 1oqd s HIS 77 N -3.13 3.02 0.03 1.57 3.76 -1.26 -5.07 115.29 114.20 1oqd s HIS 77 Ca -0.08 -0.24 0.05 0.00 -0.15 0.00 0.00 55.06 54.64 1oqd s HIS 77 Cb 0.07 -1.91 -0.02 0.00 1.11 0.00 0.00 32.58 31.83 1oqd s HIS 77 CO 0.91 0.03 -0.14 0.08 -0.85 0.00 0.00 174.74 174.77 1oqd s VAL 78 N 0.14 1.10 0.03 -0.90 1.01 -1.26 -5.02 120.40 115.50 1oqd s VAL 78 Ca -0.01 -0.90 0.06 0.00 0.00 0.00 0.00 61.98 61.13 1oqd s VAL 78 Cb -0.14 -0.98 -0.02 0.00 0.00 0.00 0.00 36.38 35.24 1oqd s VAL 78 CO 0.03 0.07 -0.19 -0.36 0.00 0.00 0.00 175.10 174.65 1oqd s PHE 79 N -0.73 1.63 0.00 5.22 0.40 -1.26 -5.01 117.98 118.23 1oqd s PHE 79 Ca 0.02 -0.36 0.00 0.00 -0.60 0.00 0.00 56.93 56.00 1oqd s PHE 79 Cb -0.07 -0.98 0.00 0.00 0.51 0.00 0.00 43.02 42.48 1oqd s PHE 79 CO 0.01 0.06 0.00 0.41 0.70 0.00 0.00 175.22 176.40 1oqd n GLY 80 N 1.99 2.85 1.83 4.36 0.00 -1.26 -1.01 105.19 113.94 1oqd n GLY 80 Ca -0.17 0.21 0.02 0.00 0.00 0.00 0.00 46.02 46.08 1oqd n GLY 80 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1oqd n ASP 81 N 3.78 5.13 -4.74 1.61 5.75 -1.26 -4.98 116.55 121.83 1oqd n ASP 81 Ca 0.00 -2.94 -0.36 0.00 -0.01 0.00 0.00 54.79 51.48 1oqd n ASP 81 Cb 0.00 -0.69 0.06 0.00 -1.03 0.00 0.00 41.12 39.45 1oqd n ASP 81 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 1oqd s GLU 82 N -2.67 2.69 -0.09 0.11 2.02 -0.18 -4.98 118.70 115.59 1oqd s GLU 82 Ca 0.50 1.84 -0.20 0.00 0.02 0.00 0.00 54.97 57.14 1oqd s GLU 82 Cb 0.39 -1.89 -0.04 0.00 0.10 0.00 0.00 34.13 32.69 1oqd s GLU 82 CO 0.14 -1.43 0.55 -0.51 0.02 0.00 0.00 175.26 174.02 1oqd s LEU 83 N -4.41 4.31 0.00 1.80 1.02 -1.26 -4.81 118.68 115.33 1oqd s LEU 83 Ca 0.77 0.95 0.27 0.00 0.02 0.00 0.00 54.13 56.15 1oqd s LEU 83 Cb -0.31 -2.82 1.23 0.00 0.02 0.00 0.00 46.19 44.31 1oqd s LEU 83 CO 0.38 -0.01 1.89 -1.54 0.02 0.00 0.00 176.35 177.08 1oqd n SER 84 N 3.53 0.00 -4.21 2.29 3.41 -1.26 -4.60 113.62 112.77 1oqd n SER 84 Ca -0.06 0.26 -0.34 0.00 -0.26 0.00 0.00 58.87 58.47 1oqd n SER 84 Cb 0.51 -0.42 -0.14 0.00 -0.26 0.00 0.00 64.21 63.90 1oqd n SER 84 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1oqd s LEU 85 N -2.83 2.98 -0.11 1.04 1.98 -1.26 -0.23 118.68 120.26 1oqd s LEU 85 Ca 0.18 -0.74 0.03 0.00 -2.89 0.00 0.00 54.13 50.71 1oqd s LEU 85 Cb 0.18 -1.66 -0.00 0.00 0.66 0.00 0.00 46.19 45.37 1oqd s LEU 85 CO 0.46 -0.09 -0.21 -0.69 -1.89 0.00 0.00 176.35 173.93 1oqd s VAL 86 N 1.35 2.34 -0.43 1.68 1.01 0.67 -4.95 120.40 122.07 1oqd s VAL 86 Ca 0.02 -0.92 -0.18 0.00 0.00 0.00 0.00 61.98 60.90 1oqd s VAL 86 Cb -0.16 -1.92 0.02 0.00 0.00 0.00 0.00 36.38 34.33 1oqd s VAL 86 CO -0.05 0.55 0.49 0.28 0.00 0.00 0.00 175.10 176.37 1oqd s THR 87 N 0.32 5.02 -0.02 3.92 -1.32 -1.26 0.71 115.64 123.01 1oqd s THR 87 Ca -0.16 -0.24 -0.22 0.00 -1.21 0.00 0.00 61.69 59.86 1oqd s THR 87 Cb -0.17 -4.09 -0.14 0.00 -1.51 0.00 0.00 72.50 66.59 1oqd s THR 87 CO 0.08 -0.48 0.95 -0.07 -2.21 0.00 0.00 174.62 172.90 1oqd h LEU 88 N 9.23 -0.42 -8.04 9.08 4.07 -1.48 -3.47 115.31 124.27 1oqd h LEU 88 Ca -0.26 -0.13 -0.28 0.00 0.08 0.00 0.00 57.88 57.29 1oqd h LEU 88 Cb 1.11 0.11 -0.24 0.00 1.08 0.00 0.00 40.66 42.71 1oqd h LEU 88 CO 0.82 0.01 -0.74 -0.36 -1.08 0.00 0.00 178.44 177.10 1oqd s PHE 89 N -3.99 0.54 -0.06 1.13 0.40 -1.18 -5.01 117.98 109.81 1oqd s PHE 89 Ca -0.12 -0.33 -0.15 0.00 -0.60 0.00 0.00 56.93 55.73 1oqd s PHE 89 Cb 0.01 -0.33 0.03 0.00 0.51 0.00 0.00 43.02 43.24 1oqd s PHE 89 CO 0.42 -0.06 0.35 -0.98 0.70 0.00 0.00 175.22 175.65 1oqd s ARG 90 N -0.98 0.61 0.15 0.44 1.70 -1.26 -0.79 118.95 118.82 1oqd s ARG 90 Ca -0.06 0.06 0.02 0.00 -0.47 0.00 0.00 55.73 55.28 1oqd s ARG 90 Cb -0.07 0.28 -0.04 0.00 -0.57 0.00 0.00 34.95 34.55 1oqd s ARG 90 CO 0.00 -0.15 -0.01 0.00 -1.08 0.00 0.00 175.30 174.06 1oqd s ILE 92 N -3.68 0.21 -0.06 0.00 1.01 -1.26 -2.73 121.20 114.70 1oqd s ILE 92 Ca 0.21 -0.28 0.00 0.00 0.00 0.00 0.00 60.65 60.58 1oqd s ILE 92 Cb 0.06 -0.22 0.02 0.00 0.01 0.00 0.00 42.46 42.34 1oqd s ILE 92 CO 0.02 -0.05 -0.04 -1.10 0.00 0.00 0.00 174.94 173.77 1oqd s GLN 93 N -0.35 0.89 0.39 2.79 -1.52 0.49 -4.98 119.66 117.38 1oqd s GLN 93 Ca -0.02 -0.07 -0.26 0.00 -1.95 0.00 0.00 55.36 53.06 1oqd s GLN 93 Cb -0.03 -1.01 -0.09 0.00 -0.22 0.00 0.00 33.01 31.67 1oqd s GLN 93 CO -0.00 -0.17 1.21 -0.80 -0.25 0.00 0.00 175.29 175.27 1oqd s ASN 94 N 1.35 6.50 0.08 5.90 0.01 -1.26 -1.19 114.94 126.34 1oqd s ASN 94 Ca -0.04 2.44 0.05 0.00 -0.71 0.00 0.00 52.86 54.60 1oqd s ASN 94 Cb -0.13 -2.62 -0.04 0.00 0.41 0.00 0.00 41.25 38.86 1oqd s ASN 94 CO -0.03 -0.70 -0.03 -0.04 -1.51 0.00 0.00 177.10 174.80 1oqd s MET 95 N -2.23 2.47 0.79 -0.60 -1.94 -0.31 -4.90 119.30 112.59 1oqd s MET 95 Ca 0.56 -0.85 -0.08 0.00 -1.71 0.00 0.00 55.69 53.61 1oqd s MET 95 Cb -0.33 -2.49 0.12 0.00 2.01 0.00 0.00 34.83 34.14 1oqd s MET 95 CO 0.42 0.54 1.11 -2.14 -0.01 0.00 0.00 175.02 174.94 1oqd s PRO 96 N -2.15 1.61 -0.07 2.03 0.02 -1.26 -4.37 135.00 130.81 1oqd s PRO 96 Ca 0.23 -0.48 0.01 0.00 0.02 0.00 0.00 61.00 60.78 1oqd s PRO 96 Cb -0.11 -2.10 -0.25 0.00 0.02 0.00 0.00 34.50 32.05 1oqd s PRO 96 CO 0.16 -1.65 0.56 1.49 -0.33 0.00 0.00 177.00 177.23 1oqd h GLU 97 N -0.91 0.17 0.00 5.54 4.57 -1.98 -3.42 114.58 118.54 1oqd h GLU 97 Ca -0.43 -0.29 0.00 0.00 -1.18 0.00 0.00 59.36 57.46 1oqd h GLU 97 Cb 1.28 0.11 0.00 0.00 -0.16 0.00 0.00 28.75 29.98 1oqd h GLU 97 CO 0.49 0.94 0.00 0.25 -1.18 0.00 0.00 179.01 179.52 1oqd n THR 98 N -3.32 0.00 -3.51 0.32 -2.24 -1.26 -4.75 114.28 99.51 1oqd n THR 98 Ca -0.24 0.07 -0.40 0.00 -2.27 0.00 0.00 64.05 61.21 1oqd n THR 98 Cb 1.05 -0.63 -0.04 0.00 -2.10 0.00 0.00 70.33 68.61 1oqd n THR 98 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1oqd s LEU 99 N 0.00 5.91 -0.26 3.22 1.43 -1.26 -5.03 118.68 122.68 1oqd s LEU 99 Ca 0.00 -3.62 -0.37 0.00 -1.03 0.00 0.00 54.13 49.11 1oqd s LEU 99 Cb 0.00 -2.04 -0.14 0.00 0.03 0.00 0.00 46.19 44.05 1oqd s LEU 99 CO 0.00 -0.24 1.91 -2.65 0.23 0.00 0.00 176.35 175.60 1oqd n PRO 100 N 2.56 1.35 -2.77 1.29 -0.02 -1.26 -4.89 135.00 131.25 1oqd n PRO 100 Ca 0.22 0.47 -0.06 0.00 -2.02 0.00 0.00 63.50 62.11 1oqd n PRO 100 Cb 0.38 -2.32 0.02 0.00 -0.02 0.00 0.00 33.50 31.56 1oqd n PRO 100 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1oqd n ASN 101 N 6.99 -3.25 -3.94 2.55 3.02 -1.19 -4.18 115.26 115.25 1oqd n ASN 101 Ca 0.30 -3.02 -0.28 0.00 -0.03 0.00 0.00 54.58 51.56 1oqd n ASN 101 Cb 0.19 1.73 -0.17 0.00 -0.61 0.00 0.00 39.78 40.93 1oqd n ASN 101 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1oqd s ASN 102 N 0.14 2.33 -0.07 6.41 0.01 -0.59 -4.97 114.94 118.21 1oqd s ASN 102 Ca 0.31 -0.36 -0.03 0.00 -0.71 0.00 0.00 52.86 52.06 1oqd s ASN 102 Cb 0.06 -0.94 -0.04 0.00 0.41 0.00 0.00 41.25 40.74 1oqd s ASN 102 CO -0.11 -0.10 0.09 -0.94 -1.51 0.00 0.00 177.10 174.54 1oqd s SER 103 N 1.64 5.89 -0.09 -1.22 1.04 -1.26 -0.20 113.70 119.50 1oqd s SER 103 Ca 0.05 0.28 0.02 0.00 0.48 0.00 0.00 55.95 56.78 1oqd s SER 103 Cb -0.13 -1.78 0.01 0.00 0.10 0.00 0.00 66.02 64.22 1oqd s SER 103 CO -0.09 0.35 -0.16 0.00 0.98 0.00 0.00 173.24 174.32 1oqd s TYR 105 N 0.75 2.90 -0.23 0.00 5.04 -1.26 -2.60 117.35 121.96 1oqd s TYR 105 Ca -0.12 -0.03 -0.23 0.00 -2.44 0.00 0.00 57.07 54.25 1oqd s TYR 105 Cb -0.16 -1.60 0.06 0.00 0.35 0.00 0.00 41.96 40.61 1oqd s TYR 105 CO 0.02 0.39 0.65 0.45 -1.34 0.00 0.00 175.55 175.72 1oqd s SER 106 N -1.52 -0.67 0.17 4.32 0.15 -0.93 -5.02 113.70 110.20 1oqd s SER 106 Ca 0.18 1.25 -0.13 0.00 0.70 0.00 0.00 55.95 57.95 1oqd s SER 106 Cb -0.11 1.26 0.01 0.00 -1.71 0.00 0.00 66.02 65.47 1oqd s SER 106 CO 0.09 -0.26 0.39 0.00 1.20 0.00 0.00 173.24 174.66 1oqd s ALA 107 N 0.21 -0.49 0.08 5.45 0.00 -1.26 -2.34 121.76 123.41 1oqd s ALA 107 Ca -0.01 -0.52 -0.25 0.00 0.00 0.00 0.00 51.96 51.18 1oqd s ALA 107 Cb -0.04 0.82 0.09 0.00 0.00 0.00 0.00 23.12 23.99 1oqd s ALA 107 CO 0.02 -0.71 1.16 0.20 0.00 0.00 0.00 175.76 176.43 1oqd s GLY 108 N -2.91 -0.03 -0.07 0.00 0.00 -0.47 -5.00 107.32 98.85 1oqd s GLY 108 Ca 0.12 -0.11 0.00 0.00 0.00 0.00 0.00 44.72 44.73 1oqd s GLY 108 CO -0.03 3.74 -0.05 -0.42 0.00 0.00 0.00 173.10 176.34 1oqd s ILE 109 N -2.13 3.87 0.05 0.90 1.01 -1.26 -0.78 121.20 122.86 1oqd s ILE 109 Ca 0.25 -0.44 -0.07 0.00 0.00 0.00 0.00 60.65 60.38 1oqd s ILE 109 Cb -0.01 -2.60 -0.01 0.00 0.01 0.00 0.00 42.46 39.85 1oqd s ILE 109 CO 0.02 0.58 0.14 0.00 0.00 0.00 0.00 174.94 175.68 1oqd s ALA 110 N -0.85 -0.17 -0.22 9.38 0.00 -0.49 -4.99 121.76 124.43 1oqd s ALA 110 Ca 0.13 -0.50 -0.15 0.00 0.00 0.00 0.00 51.96 51.44 1oqd s ALA 110 Cb -0.11 0.30 -0.04 0.00 0.00 0.00 0.00 23.12 23.27 1oqd s ALA 110 CO 0.02 -0.37 0.35 0.21 0.00 0.00 0.00 175.76 175.98 1oqd s LYS 111 N -2.87 4.13 0.25 0.00 2.47 -1.26 -1.28 119.74 121.18 1oqd s LYS 111 Ca -0.03 0.09 0.09 0.00 -1.56 0.00 0.00 55.97 54.56 1oqd s LYS 111 Cb 0.00 -3.56 -0.05 0.00 -1.46 0.00 0.00 37.83 32.77 1oqd s LYS 111 CO -0.06 -0.06 -0.14 -0.51 0.16 0.00 0.00 175.35 174.75 1oqd s LEU 112 N 1.39 2.56 0.17 5.43 1.43 -0.58 -5.00 118.68 124.08 1oqd s LEU 112 Ca 0.16 -1.07 0.06 0.00 -1.03 0.00 0.00 54.13 52.25 1oqd s LEU 112 Cb -0.15 -0.79 -0.05 0.00 0.03 0.00 0.00 46.19 45.24 1oqd s LEU 112 CO 0.08 -0.16 -0.12 -1.61 0.23 0.00 0.00 176.35 174.76 1oqd s GLU 113 N -3.63 1.19 0.08 1.70 2.02 -1.26 -1.52 118.70 117.28 1oqd s GLU 113 Ca 0.26 -1.51 -0.37 0.00 0.02 0.00 0.00 54.97 53.38 1oqd s GLU 113 Cb -0.01 -0.88 -0.17 0.00 0.10 0.00 0.00 34.13 33.17 1oqd s GLU 113 CO 0.10 0.13 1.28 0.39 0.02 0.00 0.00 175.26 177.19 1oqd n GLU 114 N -0.25 0.97 0.00 1.61 1.02 -1.26 -0.44 120.64 122.28 1oqd n GLU 114 Ca -0.09 0.35 0.00 0.00 -0.02 0.00 0.00 57.16 57.40 1oqd n GLU 114 Cb 0.60 -1.95 0.00 0.00 -0.02 0.00 0.00 31.44 30.07 1oqd n GLU 114 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1oqd n GLY 115 N 2.32 3.40 3.75 0.62 0.00 0.00 -4.81 105.19 110.48 1oqd n GLY 115 Ca 0.18 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.86 1oqd n GLY 115 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1oqd s ASP 116 N -0.88 4.81 0.00 1.61 1.01 0.41 -4.52 116.67 119.11 1oqd s ASP 116 Ca 0.00 2.21 0.04 0.00 0.71 0.00 0.00 52.55 55.51 1oqd s ASP 116 Cb 0.00 -2.58 -0.01 0.00 1.01 0.00 0.00 42.92 41.34 1oqd s ASP 116 CO 0.00 -1.84 -0.13 -1.61 0.21 0.00 0.00 175.17 171.80 1oqd s GLU 117 N -3.84 1.02 0.01 8.23 2.02 -1.02 -1.08 118.70 124.05 1oqd s GLU 117 Ca 0.72 -0.52 0.03 0.00 0.02 0.00 0.00 54.97 55.22 1oqd s GLU 117 Cb -0.26 -0.99 -0.03 0.00 0.10 0.00 0.00 34.13 32.95 1oqd s GLU 117 CO 0.40 0.27 -0.04 -0.51 0.02 0.00 0.00 175.26 175.40 1oqd s LEU 118 N -0.47 3.28 0.00 1.80 1.43 0.80 -0.90 118.68 124.63 1oqd s LEU 118 Ca 0.04 -0.11 -0.13 0.00 -1.03 0.00 0.00 54.13 52.90 1oqd s LEU 118 Cb -0.06 -1.89 0.02 0.00 0.03 0.00 0.00 46.19 44.29 1oqd s LEU 118 CO -0.00 0.27 0.27 0.00 0.23 0.00 0.00 176.35 177.13 1oqd s GLN 119 N -1.53 0.67 -0.27 1.70 -2.07 -0.72 -1.20 119.66 116.23 1oqd s GLN 119 Ca 0.18 -0.31 -0.07 0.00 -1.82 0.00 0.00 55.36 53.35 1oqd s GLN 119 Cb -0.11 0.29 -0.00 0.00 -1.09 0.00 0.00 33.01 32.10 1oqd s GLN 119 CO 0.09 -0.19 0.06 -1.17 -1.32 0.00 0.00 175.29 172.76 1oqd s LEU 120 N -1.52 3.63 0.01 2.60 1.98 -1.26 -0.23 118.68 123.90 1oqd s LEU 120 Ca -0.12 -0.55 0.08 0.00 -2.89 0.00 0.00 54.13 50.65 1oqd s LEU 120 Cb -0.05 -1.87 -0.02 0.00 0.66 0.00 0.00 46.19 44.91 1oqd s LEU 120 CO 0.02 -0.13 -0.23 0.00 -1.89 0.00 0.00 176.35 174.12 1oqd s ALA 121 N 1.52 1.92 -0.27 5.97 0.00 0.77 -4.43 121.76 127.24 1oqd s ALA 121 Ca 0.04 -1.06 -0.04 0.00 0.00 0.00 0.00 51.96 50.90 1oqd s ALA 121 Cb -0.16 -0.44 0.02 0.00 0.00 0.00 0.00 23.12 22.54 1oqd s ALA 121 CO 0.02 0.46 -0.00 0.42 0.00 0.00 0.00 175.76 176.65 1oqd s ILE 122 N -0.66 3.29 0.00 0.00 1.01 -0.59 0.11 121.20 124.35 1oqd s ILE 122 Ca 0.09 -0.96 -0.03 0.00 0.00 0.00 0.00 60.65 59.75 1oqd s ILE 122 Cb -0.09 -2.71 -0.13 0.00 0.01 0.00 0.00 42.46 39.54 1oqd s ILE 122 CO 0.01 0.11 2.27 -2.65 0.00 0.00 0.00 174.94 174.67 1oqd n PRO 123 N 4.73 1.17 -4.30 2.79 -0.02 -1.26 -0.17 135.00 137.94 1oqd n PRO 123 Ca -0.15 -0.50 -0.18 0.00 -2.02 0.00 0.00 63.50 60.65 1oqd n PRO 123 Cb 0.47 -1.66 -0.14 0.00 -0.02 0.00 0.00 33.50 32.15 1oqd n PRO 123 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1oqd s ARG 124 N 1.40 0.77 0.09 -0.52 1.81 -1.26 -4.97 118.95 116.27 1oqd s ARG 124 Ca 0.33 -0.57 -0.26 0.00 -1.72 0.00 0.00 55.73 53.50 1oqd s ARG 124 Cb 0.16 -0.72 -0.10 0.00 -0.45 0.00 0.00 34.95 33.83 1oqd s ARG 124 CO 0.00 0.18 1.43 0.93 -0.68 0.00 0.00 175.30 177.16 1oqd h GLU 125 N 5.26 -0.44 -2.02 3.54 3.07 -1.87 -2.86 114.58 119.27 1oqd h GLU 125 Ca -0.35 0.03 -0.51 0.00 -0.50 0.00 0.00 59.36 58.04 1oqd h GLU 125 Cb 1.18 0.10 -0.40 0.00 -0.84 0.00 0.00 28.75 28.79 1oqd h GLU 125 CO 0.46 -0.29 -1.13 -1.71 -1.40 0.00 0.00 179.01 174.93 1oqd n ASN 126 N -4.79 1.01 -4.58 1.42 5.15 -1.26 -4.50 115.26 107.72 1oqd n ASN 126 Ca -0.05 -3.00 -0.51 0.00 -0.60 0.00 0.00 54.58 50.42 1oqd n ASN 126 Cb 0.29 -0.62 -0.05 0.00 -0.53 0.00 0.00 39.78 38.87 1oqd n ASN 126 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1oqd n ALA 127 N 0.48 -1.12 -2.74 5.20 0.00 -1.26 -4.91 120.51 116.16 1oqd n ALA 127 Ca 0.25 0.50 -0.43 0.00 0.00 0.00 0.00 53.44 53.76 1oqd n ALA 127 Cb 0.61 -2.03 -0.04 0.00 0.00 0.00 0.00 19.45 17.99 1oqd n ALA 127 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1oqd s GLN 128 N 0.14 3.22 0.12 0.00 -1.52 -1.26 -5.00 119.66 115.35 1oqd s GLN 128 Ca 0.81 -0.54 0.08 0.00 -1.95 0.00 0.00 55.36 53.77 1oqd s GLN 128 Cb -0.94 -4.14 -0.04 0.00 -0.22 0.00 0.00 33.01 27.67 1oqd s GLN 128 CO 0.49 -1.66 -0.20 0.42 -0.25 0.00 0.00 175.29 174.09 1oqd s ILE 129 N 4.06 1.75 0.14 1.08 1.09 -1.26 -1.58 121.20 126.48 1oqd s ILE 129 Ca 0.26 -1.65 -0.16 0.00 -1.10 0.00 0.00 60.65 58.01 1oqd s ILE 129 Cb -0.14 -1.64 -0.07 0.00 -1.06 0.00 0.00 42.46 39.55 1oqd s ILE 129 CO 0.15 -0.12 0.57 -0.55 -0.10 0.00 0.00 174.94 174.88 1oqd s SER 130 N -2.11 6.89 -0.27 3.58 0.15 -0.63 -4.89 113.70 116.42 1oqd s SER 130 Ca 0.09 1.15 0.10 0.00 0.70 0.00 0.00 55.95 57.99 1oqd s SER 130 Cb -0.09 -2.31 0.49 0.00 -1.71 0.00 0.00 66.02 62.40 1oqd s SER 130 CO 0.05 0.12 1.42 0.18 1.20 0.00 0.00 173.24 176.21 1oqd n LEU 131 N 0.95 3.87 -4.74 3.45 4.32 -1.26 -4.64 117.00 118.95 1oqd n LEU 131 Ca -0.06 -3.71 -0.40 0.00 -0.02 0.00 0.00 56.01 51.82 1oqd n LEU 131 Cb 0.52 -0.61 -0.05 0.00 -1.62 0.00 0.00 43.42 41.66 1oqd n LEU 131 CO 0.42 1.21 0.55 -1.81 -1.22 0.00 0.00 177.39 176.55 1oqd s ASP 132 N -2.59 7.35 0.17 -1.43 -0.00 -1.26 -3.15 116.67 115.76 1oqd s ASP 132 Ca 0.43 1.61 0.12 0.00 -0.00 0.00 0.00 52.55 54.71 1oqd s ASP 132 Cb 0.39 -2.52 0.62 0.00 -0.00 0.00 0.00 42.92 41.41 1oqd s ASP 132 CO -0.00 -0.00 1.36 0.61 -0.00 0.00 0.00 175.17 177.13 1oqd n GLY 133 N 2.27 -0.71 0.19 0.21 0.00 -1.26 -2.03 105.19 103.85 1oqd n GLY 133 Ca -0.01 0.10 0.11 0.00 0.00 0.00 0.00 46.02 46.22 1oqd n GLY 133 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1oqd n ASP 134 N -1.89 1.33 -0.02 1.61 5.75 -1.26 -4.48 116.55 117.57 1oqd n ASP 134 Ca -0.01 -1.12 -0.01 0.00 -0.01 0.00 0.00 54.79 53.64 1oqd n ASP 134 Cb 0.03 0.72 -0.05 0.00 -1.03 0.00 0.00 41.12 40.79 1oqd n ASP 134 CO 0.00 0.00 0.00 1.33 -0.11 0.00 0.00 177.20 178.42 1oqd n VAL 135 N -0.94 0.31 -3.84 2.12 0.24 -0.86 -4.95 118.33 110.41 1oqd n VAL 135 Ca 0.06 -0.24 -0.29 0.00 -2.04 0.00 0.00 64.34 61.84 1oqd n VAL 135 Cb 0.38 -0.47 -0.16 0.00 -1.47 0.00 0.00 33.84 32.12 1oqd n VAL 135 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 1oqd s THR 136 N -2.26 1.01 0.18 3.34 -1.32 -1.04 -3.74 115.64 111.81 1oqd s THR 136 Ca -0.03 -0.86 -0.03 0.00 -1.21 0.00 0.00 61.69 59.55 1oqd s THR 136 Cb 0.03 -1.39 -0.03 0.00 -1.51 0.00 0.00 72.50 69.60 1oqd s THR 136 CO 0.27 -0.14 0.17 0.72 -2.21 0.00 0.00 174.62 173.43 1oqd s PHE 137 N 1.64 0.86 -0.10 9.09 -0.12 -0.13 -2.30 117.98 126.93 1oqd s PHE 137 Ca -0.03 -1.17 -0.08 0.00 -0.05 0.00 0.00 56.93 55.60 1oqd s PHE 137 Cb -0.18 -0.38 0.03 0.00 -0.63 0.00 0.00 43.02 41.87 1oqd s PHE 137 CO -0.07 -0.65 0.25 0.12 -0.05 0.00 0.00 175.22 174.81 1oqd s PHE 138 N -4.08 -0.29 0.15 3.49 5.36 -0.62 -0.87 117.98 121.12 1oqd s PHE 138 Ca 0.29 0.70 -0.24 0.00 -0.96 0.00 0.00 56.93 56.72 1oqd s PHE 138 Cb 0.06 0.08 0.07 0.00 -0.34 0.00 0.00 43.02 42.88 1oqd s PHE 138 CO 0.07 -0.16 0.75 0.20 -1.46 0.00 0.00 175.22 174.61 1oqd s GLY 139 N 0.46 -0.41 0.01 13.12 0.00 0.02 0.72 107.32 121.24 1oqd s GLY 139 Ca -0.03 0.38 0.01 0.00 0.00 0.00 0.00 44.72 45.07 1oqd s GLY 139 CO -0.02 0.12 -0.03 0.00 0.00 0.00 0.00 173.10 173.17 1oqd s ALA 140 N -3.57 0.18 -0.04 3.20 0.00 -0.78 -0.88 121.76 119.87 1oqd s ALA 140 Ca 0.06 -0.32 0.01 0.00 0.00 0.00 0.00 51.96 51.71 1oqd s ALA 140 Cb -0.02 0.03 0.02 0.00 0.00 0.00 0.00 23.12 23.15 1oqd s ALA 140 CO -0.05 -0.04 -0.05 -1.17 0.00 0.00 0.00 175.76 174.45 1oqd s LEU 141 N -0.69 1.42 -0.01 0.00 0.20 0.38 -1.53 118.68 118.45 1oqd s LEU 141 Ca -0.06 -0.14 -0.26 0.00 0.69 0.00 0.00 54.13 54.35 1oqd s LEU 141 Cb -0.05 -0.48 -0.04 0.00 -0.43 0.00 0.00 46.19 45.20 1oqd s LEU 141 CO -0.00 -0.03 0.82 -0.75 -0.29 0.00 0.00 176.35 176.10 1oqd s LYS 142 N 0.79 4.51 0.30 1.98 2.20 0.72 -0.13 119.74 130.10 1oqd s LYS 142 Ca -0.11 1.13 -0.15 0.00 -0.36 0.00 0.00 55.97 56.48 1oqd s LYS 142 Cb -0.14 -3.43 -0.09 0.00 -1.51 0.00 0.00 37.83 32.66 1oqd s LYS 142 CO 0.01 0.07 0.72 -0.51 -0.36 0.00 0.00 175.35 175.28 1oqd s LEU 143 N 0.67 4.12 0.00 5.43 1.43 0.43 -4.37 118.68 126.39 1oqd s LEU 143 Ca 0.43 1.27 0.29 0.00 -1.03 0.00 0.00 54.13 55.10 1oqd s LEU 143 Cb -0.20 -3.97 1.75 0.00 0.03 0.00 0.00 46.19 43.81 1oqd s LEU 143 CO 0.23 -0.16 2.09 0.18 0.23 0.00 0.00 176.35 178.92