#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 0.97 -0.35 2.52 -4.23 -1.26 -5.13 115.64 108.16 1oqd s THR 2 Ca 0.00 -2.03 -0.08 0.00 -1.18 0.00 0.00 61.69 58.41 1oqd s THR 2 Cb 0.00 -2.27 0.04 0.00 1.34 0.00 0.00 72.50 71.61 1oqd s THR 2 CO 0.00 -0.38 0.14 -1.10 -0.54 0.00 0.00 174.62 172.74 1oqd s GLN 3 N -3.87 2.67 0.53 3.99 -0.21 -1.26 -4.95 119.66 116.56 1oqd s GLN 3 Ca 0.27 -1.17 -0.21 0.00 0.02 0.00 0.00 55.36 54.28 1oqd s GLN 3 Cb 0.05 -3.54 -0.06 0.00 1.00 0.00 0.00 33.01 30.47 1oqd s GLN 3 CO 0.07 -0.69 1.18 -0.51 -2.12 0.00 0.00 175.29 173.23 1oqd s ASP 4 N 1.46 5.69 -0.00 5.90 1.11 -1.26 -4.77 116.67 124.79 1oqd s ASP 4 Ca -0.01 2.32 -0.29 0.00 0.18 0.00 0.00 52.55 54.76 1oqd s ASP 4 Cb -0.20 -2.60 0.08 0.00 1.07 0.00 0.00 42.92 41.28 1oqd s ASP 4 CO 0.04 -1.25 0.72 0.00 1.18 0.00 0.00 175.17 175.86 1oqd s LEU 6 N -1.70 0.76 -0.04 0.00 0.20 -0.53 -0.96 118.68 116.41 1oqd s LEU 6 Ca -0.05 0.15 0.07 0.00 0.69 0.00 0.00 54.13 54.99 1oqd s LEU 6 Cb -0.00 0.09 -0.02 0.00 -0.43 0.00 0.00 46.19 45.83 1oqd s LEU 6 CO 0.01 -0.16 -0.25 -1.58 -0.29 0.00 0.00 176.35 174.09 1oqd s GLN 7 N 1.33 2.24 0.10 1.98 0.74 -0.19 -1.95 119.66 123.92 1oqd s GLN 7 Ca -0.07 -0.89 0.07 0.00 0.05 0.00 0.00 55.36 54.53 1oqd s GLN 7 Cb -0.12 -2.04 -0.04 0.00 1.10 0.00 0.00 33.01 31.91 1oqd s GLN 7 CO -0.04 0.46 -0.13 -0.51 -0.55 0.00 0.00 175.29 174.53 1oqd s LEU 8 N -0.39 2.93 0.04 3.68 1.02 0.21 -0.58 118.68 125.58 1oqd s LEU 8 Ca 0.04 -0.43 0.04 0.00 0.02 0.00 0.00 54.13 53.80 1oqd s LEU 8 Cb -0.11 -1.74 -0.02 0.00 0.02 0.00 0.00 46.19 44.34 1oqd s LEU 8 CO 0.01 0.19 -0.13 -0.63 0.02 0.00 0.00 176.35 175.81 1oqd s ILE 9 N -1.17 1.02 0.38 -0.59 1.01 0.79 -1.71 121.20 120.92 1oqd s ILE 9 Ca 0.20 -0.96 -0.28 0.00 0.00 0.00 0.00 60.65 59.61 1oqd s ILE 9 Cb -0.11 -0.93 -0.11 0.00 0.01 0.00 0.00 42.46 41.32 1oqd s ILE 9 CO 0.12 -0.02 1.44 0.00 0.00 0.00 0.00 174.94 176.48 1oqd n ALA 10 N 1.93 2.11 -3.49 9.38 0.00 -0.99 -0.07 120.51 129.38 1oqd n ALA 10 Ca -0.18 0.33 -0.42 0.00 0.00 0.00 0.00 53.44 53.17 1oqd n ALA 10 Cb 0.55 -2.38 -0.07 0.00 0.00 0.00 0.00 19.45 17.55 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 -0.21 5.92 0.00 0.00 2.15 0.84 -4.20 116.67 121.17 1oqd s ASP 11 Ca 0.55 -2.14 0.03 0.00 0.43 0.00 0.00 52.55 51.42 1oqd s ASP 11 Cb -0.49 -2.06 0.16 0.00 -0.30 0.00 0.00 42.92 40.22 1oqd s ASP 11 CO 0.63 -0.67 1.03 -1.54 -0.17 0.00 0.00 175.17 174.45 1oqd n SER 12 N 4.64 0.00 -1.02 -0.34 3.41 -1.20 -2.61 113.62 116.50 1oqd n SER 12 Ca -0.03 0.38 0.10 0.00 -0.26 0.00 0.00 58.87 59.06 1oqd n SER 12 Cb 0.41 -0.41 0.27 0.00 -0.26 0.00 0.00 64.21 64.22 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 -1.41 2.31 -4.04 4.33 1.02 -1.26 -4.91 120.64 116.69 1oqd n GLU 13 Ca 0.01 -2.01 -0.11 0.00 -0.02 0.00 0.00 57.16 55.04 1oqd n GLU 13 Cb 0.03 -1.47 -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 -1.40 0.37 0.66 2.62 -4.23 -1.07 -5.14 115.64 107.44 1oqd s THR 14 Ca 0.38 -1.11 -0.17 0.00 -1.18 0.00 0.00 61.69 59.61 1oqd s THR 14 Cb 0.21 -0.59 -0.00 0.00 1.34 0.00 0.00 72.50 73.45 1oqd s THR 14 CO 0.28 -0.49 1.21 -2.84 -0.54 0.00 0.00 174.62 172.24 1oqd s PRO 15 N -1.80 2.60 0.26 3.99 0.02 -1.26 -4.87 135.00 133.94 1oqd s PRO 15 Ca -0.10 1.80 -0.30 0.00 0.02 0.00 0.00 61.00 62.42 1oqd s PRO 15 Cb -0.08 -1.88 -0.09 0.00 0.02 0.00 0.00 34.50 32.46 1oqd s PRO 15 CO -0.01 -1.49 1.28 0.95 -0.33 0.00 0.00 177.00 177.39 1oqd s THR 16 N -1.77 3.07 0.03 0.99 -4.23 -1.26 -4.68 115.64 107.79 1oqd s THR 16 Ca 0.76 0.98 -0.30 0.00 -1.18 0.00 0.00 61.69 61.94 1oqd s THR 16 Cb -0.30 -3.62 -0.05 0.00 1.34 0.00 0.00 72.50 69.87 1oqd s THR 16 CO 0.39 0.19 1.14 -0.63 -0.54 0.00 0.00 174.62 175.17 1oqd s ILE 17 N -0.55 4.28 -0.12 2.99 1.01 -0.49 -4.87 121.20 123.47 1oqd s ILE 17 Ca 0.52 1.63 -0.04 0.00 0.00 0.00 0.00 60.65 62.76 1oqd s ILE 17 Cb -0.37 -4.05 -0.04 0.00 0.01 0.00 0.00 42.46 38.02 1oqd s ILE 17 CO 0.44 0.11 0.03 -1.10 0.00 0.00 0.00 174.94 174.42 1oqd s GLN 18 N 1.22 3.32 -0.29 2.79 1.11 -1.26 -0.51 119.66 126.04 1oqd s GLN 18 Ca 0.56 -0.36 -0.21 0.00 0.01 0.00 0.00 55.36 55.36 1oqd s GLN 18 Cb -0.27 -2.95 0.17 0.00 -1.01 0.00 0.00 33.01 28.96 1oqd s GLN 18 CO 0.28 0.58 1.22 0.21 0.01 0.00 0.00 175.29 177.59 1oqd s LYS 19 N -0.54 0.21 -1.29 2.91 2.20 -0.76 -4.96 119.74 117.51 1oqd s LYS 19 Ca 0.10 0.30 -0.09 0.00 -0.36 0.00 0.00 55.97 55.91 1oqd s LYS 19 Cb -0.12 0.08 0.07 0.00 -1.51 0.00 0.00 37.83 36.35 1oqd s LYS 19 CO 0.02 -0.03 0.49 0.41 -0.36 0.00 0.00 175.35 175.88 1oqd n GLY 20 N 2.47 -0.48 2.44 5.54 0.00 -1.26 0.14 105.19 114.04 1oqd n GLY 20 Ca -0.14 0.09 -0.19 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.29 -5.49 -4.39 1.61 3.41 -1.26 -5.00 113.62 100.21 1oqd n SER 21 Ca -0.02 0.17 -0.27 0.00 -0.26 0.00 0.00 58.87 58.49 1oqd n SER 21 Cb 0.54 -4.59 -0.12 0.00 -0.26 0.00 0.00 64.21 59.78 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 2.22 -0.15 7.33 1.51 0.12 -3.65 117.35 121.86 1oqd s TYR 22 Ca 0.00 -0.38 -0.03 0.00 -1.01 0.00 0.00 57.07 55.65 1oqd s TYR 22 Cb 0.00 -1.15 -0.02 0.00 -0.11 0.00 0.00 41.96 40.67 1oqd s TYR 22 CO 0.00 0.39 -0.07 0.99 -1.11 0.00 0.00 175.55 175.76 1oqd s THR 23 N -1.40 3.63 -0.13 -0.71 2.01 0.52 -1.83 115.64 117.74 1oqd s THR 23 Ca 0.16 -0.45 0.01 0.00 0.31 0.00 0.00 61.69 61.72 1oqd s THR 23 Cb -0.09 -2.57 -0.01 0.00 0.01 0.00 0.00 72.50 69.84 1oqd s THR 23 CO 0.07 0.50 -0.16 -0.36 -0.69 0.00 0.00 174.62 173.99 1oqd s PHE 24 N 0.35 2.75 0.25 4.92 0.40 0.33 -1.62 117.98 125.37 1oqd s PHE 24 Ca -0.06 -0.82 -0.30 0.00 -0.60 0.00 0.00 56.93 55.15 1oqd s PHE 24 Cb -0.15 -1.82 -0.10 0.00 0.51 0.00 0.00 43.02 41.46 1oqd s PHE 24 CO 0.04 -0.32 1.33 0.08 0.70 0.00 0.00 175.22 177.05 1oqd s VAL 25 N 0.45 2.95 -0.49 -0.44 1.01 -1.26 -1.39 120.40 121.23 1oqd s VAL 25 Ca -0.12 0.84 -0.28 0.00 0.00 0.00 0.00 61.98 62.42 1oqd s VAL 25 Cb -0.16 -3.53 0.03 0.00 0.00 0.00 0.00 36.38 32.71 1oqd s VAL 25 CO 0.05 0.15 1.10 -2.84 0.00 0.00 0.00 175.10 173.56 1oqd s PRO 26 N -0.74 3.64 0.41 2.72 0.02 -1.26 -4.87 135.00 134.92 1oqd s PRO 26 Ca 0.54 0.41 -0.08 0.00 0.02 0.00 0.00 61.00 61.89 1oqd s PRO 26 Cb -0.38 -3.93 -0.05 0.00 0.02 0.00 0.00 34.50 30.15 1oqd s PRO 26 CO 0.44 -1.41 0.74 -1.58 -0.33 0.00 0.00 177.00 174.86 1oqd s TRP 27 N 4.39 3.50 -0.00 6.54 0.52 -1.26 -0.11 118.94 132.52 1oqd s TRP 27 Ca 0.45 0.89 0.01 0.00 0.02 0.00 0.00 56.10 57.47 1oqd s TRP 27 Cb -0.08 -2.33 -0.00 0.00 -1.15 0.00 0.00 33.47 29.90 1oqd s TRP 27 CO 0.29 -0.12 -0.03 -1.17 0.02 0.00 0.00 176.95 175.94 1oqd s LEU 28 N -4.13 2.00 0.11 2.99 2.96 0.90 -4.71 118.68 118.79 1oqd s LEU 28 Ca 0.49 -0.06 -0.31 0.00 -0.22 0.00 0.00 54.13 54.02 1oqd s LEU 28 Cb -0.10 -0.18 -0.09 0.00 0.50 0.00 0.00 46.19 46.32 1oqd s LEU 28 CO 0.36 0.04 1.61 -0.22 -1.32 0.00 0.00 176.35 176.82 1oqd s LEU 29 N -0.07 4.37 -0.16 -0.68 2.96 -1.26 -0.15 118.68 123.69 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 -0.01 -3.58 -0.09 0.00 0.50 0.00 0.00 46.19 43.01 1oqd s LEU 29 CO -0.00 -0.85 -0.01 -1.28 -1.32 0.00 0.00 176.35 172.89 1oqd h SER 30 N 7.60 0.00 -4.53 3.68 0.87 -1.15 -3.45 113.55 116.57 1oqd h SER 30 Ca -0.43 -0.20 0.06 0.00 -1.23 0.00 0.00 61.79 59.99 1oqd h SER 30 Cb 1.20 0.00 -0.19 0.00 -0.44 0.00 0.00 62.40 62.98 1oqd h SER 30 CO 0.92 0.99 0.44 0.72 -0.53 0.00 0.00 176.83 179.36 1oqd s PHE 31 N -2.23 -0.43 -0.02 2.24 -0.12 -1.03 -4.99 117.98 111.39 1oqd s PHE 31 Ca -0.18 0.56 0.01 0.00 -0.05 0.00 0.00 56.93 57.27 1oqd s PHE 31 Cb 0.03 0.48 0.01 0.00 -0.63 0.00 0.00 43.02 42.91 1oqd s PHE 31 CO 0.34 -0.50 -0.05 0.21 -0.05 0.00 0.00 175.22 175.17 1oqd s LYS 32 N -2.01 0.65 -0.06 1.99 2.20 -1.26 -1.02 119.74 120.22 1oqd s LYS 32 Ca -0.01 -0.15 -0.02 0.00 -0.36 0.00 0.00 55.97 55.43 1oqd s LYS 32 Cb -0.01 -0.66 0.03 0.00 -1.51 0.00 0.00 37.83 35.69 1oqd s LYS 32 CO -0.02 0.01 0.05 0.50 -0.36 0.00 0.00 175.35 175.54 1oqd s ARG 33 N 0.44 0.06 0.22 4.03 3.52 -0.14 -5.01 118.95 122.07 1oqd s ARG 33 Ca -0.05 0.27 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 32.52 1oqd s ARG 33 CO -0.00 -0.37 0.00 0.41 -0.81 0.00 0.00 175.30 174.52 1oqd n GLY 34 N 5.27 -1.80 0.00 8.12 0.00 -1.26 -1.38 105.19 114.14 1oqd n GLY 34 Ca -0.04 -1.94 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 1.69 0.30 1.61 3.41 -1.26 -4.77 113.62 114.68 1oqd n SER 35 Ca 0.00 -0.30 0.18 0.00 -0.26 0.00 0.00 58.87 58.49 1oqd n SER 35 Cb 0.00 0.94 0.93 0.00 -0.26 0.00 0.00 64.21 65.82 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 1.15 -3.93 7.33 0.00 -1.92 -3.42 119.26 118.47 1oqd h ALA 36 Ca 0.00 -0.03 -0.39 0.00 0.00 0.00 0.00 54.91 54.48 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 -6.70 1.92 0.10 0.00 1.43 -1.26 -0.32 118.68 113.85 1oqd s LEU 37 Ca -0.03 -0.15 0.03 0.00 -1.03 0.00 0.00 54.13 52.95 1oqd s LEU 37 Cb 0.13 -0.45 -0.04 0.00 0.03 0.00 0.00 46.19 45.85 1oqd s LEU 37 CO 0.51 0.08 -0.09 -1.61 0.23 0.00 0.00 176.35 175.47 1oqd s GLU 38 N -0.03 0.87 -0.09 1.70 2.02 -0.11 -4.88 118.70 118.18 1oqd s GLU 38 Ca 0.01 -1.25 -0.14 0.00 0.02 0.00 0.00 54.97 53.61 1oqd s GLU 38 Cb -0.05 -0.44 -0.05 0.00 0.10 0.00 0.00 34.13 33.69 1oqd s GLU 38 CO -0.00 0.05 0.34 -1.83 0.02 0.00 0.00 175.26 173.84 1oqd s GLU 39 N -3.23 4.05 -0.12 1.61 -1.05 -1.26 0.57 118.70 119.26 1oqd s GLU 39 Ca 0.09 0.24 -0.05 0.00 -0.15 0.00 0.00 54.97 55.10 1oqd s GLU 39 Cb 0.00 -3.32 0.06 0.00 -0.44 0.00 0.00 34.13 30.43 1oqd s GLU 39 CO -0.01 0.46 0.25 0.21 0.95 0.00 0.00 175.26 177.11 1oqd s LYS 40 N -0.25 0.13 -1.48 -4.83 2.20 0.12 -4.86 119.74 110.78 1oqd s LYS 40 Ca 0.20 0.71 -0.06 0.00 -0.36 0.00 0.00 55.97 56.45 1oqd s LYS 40 Cb -0.15 -0.08 0.01 0.00 -1.51 0.00 0.00 37.83 36.11 1oqd s LYS 40 CO 0.08 -0.28 0.16 0.39 -0.36 0.00 0.00 175.35 175.34 1oqd n GLU 41 N 5.26 -1.00 -1.40 4.03 1.02 -1.26 0.13 120.64 127.42 1oqd n GLU 41 Ca -0.07 0.11 -0.12 0.00 -0.02 0.00 0.00 57.16 57.07 1oqd n GLU 41 Cb 0.50 -3.47 -0.05 0.00 -0.02 0.00 0.00 31.44 28.40 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 -2.76 -4.35 -4.27 1.62 4.05 -1.26 -5.00 115.26 103.29 1oqd n ASN 42 Ca -0.29 0.27 -0.15 0.00 0.45 0.00 0.00 54.58 54.86 1oqd n ASN 42 Cb 0.67 -2.92 -0.10 0.00 1.23 0.00 0.00 39.78 38.66 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 -3.10 1.27 -0.26 1.20 1.02 0.12 -4.86 119.74 115.12 1oqd s LYS 43 Ca 0.00 -1.66 -0.10 0.00 0.02 0.00 0.00 55.97 54.23 1oqd s LYS 43 Cb 0.00 -0.16 -0.04 0.00 -0.52 0.00 0.00 37.83 37.11 1oqd s LYS 43 CO 0.00 -0.26 0.14 0.42 -0.92 0.00 0.00 175.35 174.73 1oqd s ILE 44 N -3.80 4.96 -0.16 2.17 1.01 -0.44 0.16 121.20 125.10 1oqd s ILE 44 Ca 0.33 0.05 -0.12 0.00 0.00 0.00 0.00 60.65 60.91 1oqd s ILE 44 Cb 0.07 -3.34 -0.05 0.00 0.01 0.00 0.00 42.46 39.15 1oqd s ILE 44 CO 0.10 0.29 0.23 -0.22 0.00 0.00 0.00 174.94 175.35 1oqd s LEU 45 N 1.61 4.25 -0.15 2.97 2.96 0.19 -0.14 118.68 130.37 1oqd s LEU 45 Ca 0.07 0.43 -0.20 0.00 -0.22 0.00 0.00 54.13 54.21 1oqd s LEU 45 Cb -0.15 -2.27 -0.03 0.00 0.50 0.00 0.00 46.19 44.24 1oqd s LEU 45 CO 0.08 0.16 0.56 -0.69 -1.32 0.00 0.00 176.35 175.13 1oqd s VAL 46 N 0.25 5.10 -0.59 1.68 1.01 -0.24 -0.93 120.40 126.68 1oqd s VAL 46 Ca 0.14 1.08 0.12 0.00 0.00 0.00 0.00 61.98 63.32 1oqd s VAL 46 Cb -0.12 -3.89 -0.13 0.00 0.00 0.00 0.00 36.38 32.24 1oqd s VAL 46 CO 0.02 0.22 0.52 0.29 0.00 0.00 0.00 175.10 176.16 1oqd n LYS 47 N 4.31 2.95 -3.79 2.72 4.76 0.57 -0.80 118.16 128.88 1oqd n LYS 47 Ca -0.04 -0.02 -0.16 0.00 -2.87 0.00 0.00 58.31 55.22 1oqd n LYS 47 Cb 0.51 -1.08 -0.16 0.00 -1.84 0.00 0.00 35.03 32.46 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 -2.13 0.01 0.47 1.97 2.02 -1.23 -4.78 118.70 115.03 1oqd s GLU 48 Ca 0.05 0.18 -0.21 0.00 0.02 0.00 0.00 54.97 55.01 1oqd s GLU 48 Cb 0.09 -0.30 -0.09 0.00 0.10 0.00 0.00 34.13 33.93 1oqd s GLU 48 CO 0.49 -0.17 1.02 0.95 0.02 0.00 0.00 175.26 177.57 1oqd s THR 49 N 1.12 3.94 -3.92 3.63 -4.23 -1.26 -4.54 115.64 110.39 1oqd s THR 49 Ca -0.08 1.22 0.00 0.00 -1.18 0.00 0.00 61.69 61.64 1oqd s THR 49 Cb -0.13 -3.49 0.00 0.00 1.34 0.00 0.00 72.50 70.22 1oqd s THR 49 CO -0.03 -0.26 0.00 0.61 -0.54 0.00 0.00 174.62 174.41 1oqd n GLY 50 N -0.34 -0.80 3.63 3.99 0.00 -0.64 -4.95 105.19 106.09 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 3.27 0.09 1.61 1.51 -1.26 -1.53 117.35 118.04 1oqd s TYR 51 Ca 0.00 0.10 0.09 0.00 -1.01 0.00 0.00 57.07 56.25 1oqd s TYR 51 Cb 0.00 -2.16 -0.03 0.00 -0.11 0.00 0.00 41.96 39.65 1oqd s TYR 51 CO 0.00 0.09 -0.24 -0.06 -1.11 0.00 0.00 175.55 174.23 1oqd s PHE 52 N 0.70 2.05 -0.27 2.71 0.40 -0.40 -0.61 117.98 122.57 1oqd s PHE 52 Ca 0.05 -0.40 -0.12 0.00 -0.60 0.00 0.00 56.93 55.87 1oqd s PHE 52 Cb -0.13 -1.15 -0.05 0.00 0.51 0.00 0.00 43.02 42.20 1oqd s PHE 52 CO 0.02 0.22 0.24 0.12 0.70 0.00 0.00 175.22 176.52 1oqd s PHE 53 N -1.01 3.24 -0.04 0.36 5.36 0.55 -1.23 117.98 125.22 1oqd s PHE 53 Ca 0.10 0.23 0.05 0.00 -0.96 0.00 0.00 56.93 56.35 1oqd s PHE 53 Cb -0.10 -2.42 -0.02 0.00 -0.34 0.00 0.00 43.02 40.14 1oqd s PHE 53 CO 0.04 -0.14 -0.20 0.42 -1.46 0.00 0.00 175.22 173.88 1oqd s ILE 54 N 1.73 2.53 0.07 3.12 1.01 0.03 -0.44 121.20 129.25 1oqd s ILE 54 Ca 0.10 -0.91 -0.07 0.00 0.00 0.00 0.00 60.65 59.76 1oqd s ILE 54 Cb -0.16 -1.95 -0.01 0.00 0.01 0.00 0.00 42.46 40.36 1oqd s ILE 54 CO 0.10 0.58 0.15 -0.72 0.00 0.00 0.00 174.94 175.04 1oqd s TYR 55 N -0.53 0.20 -0.13 3.97 -0.85 -0.01 -1.30 117.35 118.70 1oqd s TYR 55 Ca 0.07 -0.62 -0.30 0.00 -0.52 0.00 0.00 57.07 55.70 1oqd s TYR 55 Cb -0.11 -0.12 0.11 0.00 0.38 0.00 0.00 41.96 42.22 1oqd s TYR 55 CO 0.01 -0.49 0.90 0.20 -1.52 0.00 0.00 175.55 174.65 1oqd s GLY 56 N -2.71 -0.36 -0.02 5.49 0.00 -0.97 -0.80 107.32 107.95 1oqd s GLY 56 Ca 0.03 1.83 -0.04 0.00 0.00 0.00 0.00 44.72 46.54 1oqd s GLY 56 CO -0.09 1.05 0.09 1.62 0.00 0.00 0.00 173.10 175.77 1oqd s GLN 57 N -1.06 0.28 -0.00 2.90 0.74 0.05 -2.20 119.66 120.36 1oqd s GLN 57 Ca -0.04 -0.17 0.00 0.00 0.05 0.00 0.00 55.36 55.20 1oqd s GLN 57 Cb -0.01 0.12 0.00 0.00 1.10 0.00 0.00 33.01 34.22 1oqd s GLN 57 CO 0.04 -0.05 -0.00 0.08 -0.55 0.00 0.00 175.29 174.80 1oqd s VAL 58 N -0.69 0.02 -0.37 1.34 1.01 -1.10 -0.94 120.40 119.67 1oqd s VAL 58 Ca -0.08 0.01 -0.15 0.00 0.00 0.00 0.00 61.98 61.76 1oqd s VAL 58 Cb -0.05 -0.04 -0.00 0.00 0.00 0.00 0.00 36.38 36.29 1oqd s VAL 58 CO 0.00 0.02 0.31 -0.22 0.00 0.00 0.00 175.10 175.21 1oqd s LEU 59 N 0.09 4.72 -0.15 3.92 0.20 -1.25 -1.40 118.68 124.81 1oqd s LEU 59 Ca -0.01 -0.55 -0.18 0.00 0.69 0.00 0.00 54.13 54.09 1oqd s LEU 59 Cb -0.01 -2.22 -0.04 0.00 -0.43 0.00 0.00 46.19 43.49 1oqd s LEU 59 CO -0.00 -0.36 0.46 -0.31 -0.29 0.00 0.00 176.35 175.85 1oqd s TYR 60 N 1.83 3.46 -0.19 5.38 1.51 0.91 -1.51 117.35 128.73 1oqd s TYR 60 Ca 0.08 0.80 0.15 0.00 -1.01 0.00 0.00 57.07 57.09 1oqd s TYR 60 Cb -0.18 -2.56 0.44 0.00 -0.11 0.00 0.00 41.96 39.55 1oqd s TYR 60 CO 0.11 0.08 1.19 0.25 -1.11 0.00 0.00 175.55 176.08 1oqd n THR 61 N 3.97 1.71 -4.61 -0.71 -2.24 -0.15 -1.52 114.28 110.73 1oqd n THR 61 Ca -0.07 -2.95 -0.34 0.00 -2.27 0.00 0.00 64.05 58.43 1oqd n THR 61 Cb 0.51 -0.01 -0.12 0.00 -2.10 0.00 0.00 70.33 68.61 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 -3.11 4.53 -0.15 3.42 3.68 -0.98 -4.74 116.67 119.32 1oqd s ASP 62 Ca 0.39 -0.13 0.05 0.00 2.13 0.00 0.00 52.55 54.99 1oqd s ASP 62 Cb 0.38 -1.42 0.38 0.00 -1.45 0.00 0.00 42.92 40.80 1oqd s ASP 62 CO -0.06 0.26 1.23 2.29 0.13 0.00 0.00 175.17 179.02 1oqd n LYS 63 N 2.88 2.46 -0.57 4.34 2.85 -1.26 -4.72 118.16 124.14 1oqd n LYS 63 Ca -0.18 -1.52 -0.06 0.00 -1.05 0.00 0.00 58.31 55.50 1oqd n LYS 63 Cb 0.53 -1.77 -0.09 0.00 -0.65 0.00 0.00 35.03 33.05 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 0.09 1.79 0.00 0.58 -1.04 -1.26 -4.80 114.28 109.63 1oqd n THR 64 Ca 0.19 -0.83 0.00 0.00 -2.04 0.00 0.00 64.05 61.38 1oqd n THR 64 Cb 0.85 -1.72 0.00 0.00 -1.82 0.00 0.00 70.33 67.64 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 2.47 0.00 -3.66 -1.42 0.18 -1.26 -4.49 117.16 108.98 1oqd n TYR 65 Ca 0.22 0.00 -0.07 0.00 1.88 0.00 0.00 57.90 59.93 1oqd n TYR 65 Cb 0.53 0.00 -0.08 0.00 -0.38 0.00 0.00 39.34 39.41 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 -1.37 0.26 -3.48 0.00 -1.26 -1.19 121.76 114.72 1oqd s ALA 66 Ca 0.00 1.74 0.07 0.00 0.00 0.00 0.00 51.96 53.77 1oqd s ALA 66 Cb 0.00 -1.37 -0.06 0.00 0.00 0.00 0.00 23.12 21.70 1oqd s ALA 66 CO 0.00 -0.69 -0.07 -1.64 0.00 0.00 0.00 175.76 173.36 1oqd s MET 67 N 2.42 1.50 0.00 0.00 -1.94 -0.39 -4.95 119.30 115.95 1oqd s MET 67 Ca -0.04 -1.75 0.00 0.00 -1.71 0.00 0.00 55.69 52.19 1oqd s MET 67 Cb -0.11 -1.11 0.00 0.00 2.01 0.00 0.00 34.83 35.62 1oqd s MET 67 CO -0.15 0.05 0.00 0.41 -0.01 0.00 0.00 175.02 175.33 1oqd n GLY 68 N -0.54 0.53 3.26 -0.03 0.00 -1.26 -0.52 105.19 106.63 1oqd n GLY 68 Ca -0.06 -1.01 -0.14 0.00 0.00 0.00 0.00 46.02 44.81 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 -1.11 -4.18 115.29 107.50 1oqd s HIS 69 Ca 0.00 -1.30 0.05 0.00 -0.80 0.00 0.00 55.06 53.01 1oqd s HIS 69 Cb 0.00 -0.72 -0.01 0.00 -1.43 0.00 0.00 32.58 30.42 1oqd s HIS 69 CO 0.00 -0.51 -0.17 -0.51 -2.00 0.00 0.00 174.74 171.56 1oqd s LEU 70 N -3.23 1.98 -0.33 5.38 1.43 0.32 -2.23 118.68 122.00 1oqd s LEU 70 Ca 0.38 -0.32 -0.11 0.00 -1.03 0.00 0.00 54.13 53.06 1oqd s LEU 70 Cb 0.07 -0.89 -0.00 0.00 0.03 0.00 0.00 46.19 45.40 1oqd s LEU 70 CO 0.13 0.18 0.18 -0.63 0.23 0.00 0.00 176.35 176.45 1oqd s ILE 71 N -0.23 4.75 0.25 -0.59 1.01 -0.03 -0.11 121.20 126.25 1oqd s ILE 71 Ca 0.03 -0.48 0.09 0.00 0.00 0.00 0.00 60.65 60.29 1oqd s ILE 71 Cb -0.08 -3.48 -0.04 0.00 0.01 0.00 0.00 42.46 38.87 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 1.62 2.23 -0.09 2.79 -0.21 0.62 -1.20 119.66 125.42 1oqd s GLN 72 Ca 0.04 -1.40 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 -3.51 2.42 -0.44 2.91 3.52 0.23 -1.74 118.95 122.34 1oqd s ARG 73 Ca 0.30 -0.66 -0.13 0.00 -0.13 0.00 0.00 55.73 55.12 1oqd s ARG 73 Cb -0.07 -1.90 0.07 0.00 -1.56 0.00 0.00 34.95 31.48 1oqd s ARG 73 CO 0.19 0.08 0.32 0.15 -0.81 0.00 0.00 175.30 175.23 1oqd s LYS 74 N 0.56 2.83 0.25 5.12 1.02 0.04 -0.37 119.74 129.19 1oqd s LYS 74 Ca -0.15 -1.33 -0.30 0.00 0.02 0.00 0.00 55.97 54.21 1oqd s LYS 74 Cb -0.17 -3.96 -0.09 0.00 -0.52 0.00 0.00 37.83 33.09 1oqd s LYS 74 CO 0.05 -0.94 1.34 0.15 -0.92 0.00 0.00 175.35 175.03 1oqd s LYS 75 N 1.56 4.36 0.09 1.68 1.02 0.86 -2.47 119.74 126.84 1oqd s LYS 75 Ca 0.03 2.15 -0.10 0.00 0.02 0.00 0.00 55.97 58.07 1oqd s LYS 75 Cb -0.23 -3.14 -0.21 0.00 -0.52 0.00 0.00 37.83 33.73 1oqd s LYS 75 CO 0.05 -0.26 1.20 0.28 -0.92 0.00 0.00 175.35 175.70 1oqd h VAL 76 N 3.49 1.34 -3.31 3.17 2.07 -1.87 -3.44 116.25 117.70 1oqd h VAL 76 Ca -0.46 -2.45 -0.64 0.00 0.82 0.00 0.00 66.70 63.97 1oqd h VAL 76 Cb 1.22 2.54 -0.22 0.00 -1.52 0.00 0.00 31.29 33.30 1oqd h VAL 76 CO 0.74 0.74 -0.68 -1.00 0.02 0.00 0.00 177.57 177.39 1oqd s HIS 77 N -3.14 2.99 0.04 1.57 3.76 -1.26 -5.07 115.29 114.17 1oqd s HIS 77 Ca -0.08 -0.34 0.06 0.00 -0.15 0.00 0.00 55.06 54.55 1oqd s HIS 77 Cb 0.07 -1.93 -0.02 0.00 1.11 0.00 0.00 32.58 31.81 1oqd s HIS 77 CO 0.90 -0.05 -0.16 0.08 -0.85 0.00 0.00 174.74 174.66 1oqd s VAL 78 N 0.31 1.31 0.02 -0.90 1.01 -1.26 -5.03 120.40 115.87 1oqd s VAL 78 Ca -0.05 -1.03 0.06 0.00 0.00 0.00 0.00 61.98 60.96 1oqd s VAL 78 Cb -0.14 -1.16 -0.02 0.00 0.00 0.00 0.00 36.38 35.06 1oqd s VAL 78 CO 0.03 0.11 -0.18 -0.36 0.00 0.00 0.00 175.10 174.70 1oqd s PHE 79 N -0.78 1.63 0.00 5.22 0.40 -1.26 -5.02 117.98 118.18 1oqd s PHE 79 Ca 0.04 -0.34 0.00 0.00 -0.60 0.00 0.00 56.93 56.03 1oqd s PHE 79 Cb -0.08 -1.00 0.00 0.00 0.51 0.00 0.00 43.02 42.45 1oqd s PHE 79 CO 0.01 0.04 0.00 0.41 0.70 0.00 0.00 175.22 176.38 1oqd n GLY 80 N 2.17 2.87 1.93 4.36 0.00 -1.26 -1.05 105.19 114.22 1oqd n GLY 80 Ca -0.16 0.22 0.01 0.00 0.00 0.00 0.00 46.02 46.09 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 4.00 5.30 -4.74 1.61 5.75 -1.26 -4.98 116.55 122.23 1oqd n ASP 81 Ca 0.00 -3.04 -0.35 0.00 -0.01 0.00 0.00 54.79 51.39 1oqd n ASP 81 Cb 0.00 -0.71 0.06 0.00 -1.03 0.00 0.00 41.12 39.44 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 -2.82 2.63 -0.09 0.11 2.02 -0.22 -4.98 118.70 115.35 1oqd s GLU 82 Ca 0.54 1.83 -0.19 0.00 0.02 0.00 0.00 54.97 57.17 1oqd s GLU 82 Cb 0.42 -1.88 -0.04 0.00 0.10 0.00 0.00 34.13 32.72 1oqd s GLU 82 CO 0.15 -1.47 0.53 -0.51 0.02 0.00 0.00 175.26 173.97 1oqd s LEU 83 N -4.49 4.31 0.00 1.80 1.02 -1.26 -4.81 118.68 115.25 1oqd s LEU 83 Ca 0.77 0.94 0.27 0.00 0.02 0.00 0.00 54.13 56.13 1oqd s LEU 83 Cb -0.31 -2.79 1.23 0.00 0.02 0.00 0.00 46.19 44.33 1oqd s LEU 83 CO 0.38 0.01 1.89 -1.54 0.02 0.00 0.00 176.35 177.11 1oqd n SER 84 N 3.47 0.00 -4.21 2.29 3.41 -1.26 -4.60 113.62 112.73 1oqd n SER 84 Ca -0.06 0.29 -0.34 0.00 -0.26 0.00 0.00 58.87 58.50 1oqd n SER 84 Cb 0.51 -0.43 -0.14 0.00 -0.26 0.00 0.00 64.21 63.89 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 -2.85 3.10 -0.11 1.04 1.98 -1.26 -0.10 118.68 120.47 1oqd s LEU 85 Ca 0.17 -0.81 0.02 0.00 -2.89 0.00 0.00 54.13 50.63 1oqd s LEU 85 Cb 0.18 -1.66 -0.01 0.00 0.66 0.00 0.00 46.19 45.36 1oqd s LEU 85 CO 0.46 -0.11 -0.19 -0.69 -1.89 0.00 0.00 176.35 173.93 1oqd s VAL 86 N 1.34 2.47 -0.43 1.68 1.01 0.51 -4.95 120.40 122.03 1oqd s VAL 86 Ca 0.01 -0.87 -0.18 0.00 0.00 0.00 0.00 61.98 60.94 1oqd s VAL 86 Cb -0.16 -1.99 0.02 0.00 0.00 0.00 0.00 36.38 34.25 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 0.33 5.02 -0.02 3.92 -1.32 -1.26 0.77 115.64 123.08 1oqd s THR 87 Ca -0.15 -0.24 -0.22 0.00 -1.21 0.00 0.00 61.69 59.87 1oqd s THR 87 Cb -0.17 -4.09 -0.13 0.00 -1.51 0.00 0.00 72.50 66.60 1oqd s THR 87 CO 0.08 -0.47 0.95 -0.07 -2.21 0.00 0.00 174.62 172.89 1oqd h LEU 88 N 9.22 -0.46 -8.04 9.08 4.07 -1.50 -3.47 115.31 124.21 1oqd h LEU 88 Ca -0.26 -0.11 -0.30 0.00 0.08 0.00 0.00 57.88 57.29 1oqd h LEU 88 Cb 1.11 0.12 -0.25 0.00 1.08 0.00 0.00 40.66 42.72 1oqd h LEU 88 CO 0.82 -0.03 -0.74 -0.36 -1.08 0.00 0.00 178.44 177.05 1oqd s PHE 89 N -4.01 0.58 -0.05 1.13 0.40 -1.18 -5.01 117.98 109.83 1oqd s PHE 89 Ca -0.12 -0.31 -0.13 0.00 -0.60 0.00 0.00 56.93 55.77 1oqd s PHE 89 Cb 0.01 -0.35 0.03 0.00 0.51 0.00 0.00 43.02 43.21 1oqd s PHE 89 CO 0.41 -0.05 0.31 -0.98 0.70 0.00 0.00 175.22 175.61 1oqd s ARG 90 N -0.89 0.56 0.16 0.44 1.70 -1.26 -0.85 118.95 118.82 1oqd s ARG 90 Ca -0.04 0.04 0.02 0.00 -0.47 0.00 0.00 55.73 55.27 1oqd s ARG 90 Cb -0.06 0.25 -0.05 0.00 -0.57 0.00 0.00 34.95 34.53 1oqd s ARG 90 CO 0.00 -0.13 0.00 0.00 -1.08 0.00 0.00 175.30 174.09 1oqd s ILE 92 N -3.69 0.13 -0.06 0.00 1.01 -1.26 -2.73 121.20 114.60 1oqd s ILE 92 Ca 0.23 -0.23 0.00 0.00 0.00 0.00 0.00 60.65 60.65 1oqd s ILE 92 Cb 0.06 -0.15 0.02 0.00 0.01 0.00 0.00 42.46 42.41 1oqd s ILE 92 CO 0.03 -0.07 -0.04 -1.10 0.00 0.00 0.00 174.94 173.76 1oqd s GLN 93 N -0.32 0.96 0.40 2.79 -1.52 0.32 -4.98 119.66 117.32 1oqd s GLN 93 Ca -0.02 -0.10 -0.25 0.00 -1.95 0.00 0.00 55.36 53.03 1oqd s GLN 93 Cb -0.02 -1.05 -0.08 0.00 -0.22 0.00 0.00 33.01 31.64 1oqd s GLN 93 CO -0.00 -0.16 1.18 -0.80 -0.25 0.00 0.00 175.29 175.26 1oqd s ASN 94 N 1.30 6.49 0.08 5.90 0.01 -1.26 -1.26 114.94 126.20 1oqd s ASN 94 Ca -0.05 2.38 0.05 0.00 -0.71 0.00 0.00 52.86 54.53 1oqd s ASN 94 Cb -0.14 -2.62 -0.04 0.00 0.41 0.00 0.00 41.25 38.87 1oqd s ASN 94 CO -0.02 -0.70 -0.04 -0.04 -1.51 0.00 0.00 177.10 174.79 1oqd s MET 95 N -2.30 2.41 0.78 -0.60 -1.94 -0.33 -4.90 119.30 112.42 1oqd s MET 95 Ca 0.57 -0.88 -0.08 0.00 -1.71 0.00 0.00 55.69 53.59 1oqd s MET 95 Cb -0.31 -2.46 0.11 0.00 2.01 0.00 0.00 34.83 34.18 1oqd s MET 95 CO 0.39 0.54 1.10 -2.14 -0.01 0.00 0.00 175.02 174.90 1oqd s PRO 96 N -2.18 1.66 -0.07 2.03 0.02 -1.26 -4.37 135.00 130.84 1oqd s PRO 96 Ca 0.23 -0.48 -0.00 0.00 0.02 0.00 0.00 61.00 60.77 1oqd s PRO 96 Cb -0.11 -2.12 -0.26 0.00 0.02 0.00 0.00 34.50 32.03 1oqd s PRO 96 CO 0.16 -1.60 0.58 1.49 -0.33 0.00 0.00 177.00 177.29 1oqd h GLU 97 N -0.87 0.19 0.00 5.54 4.57 -1.98 -3.42 114.58 118.61 1oqd h GLU 97 Ca -0.43 -0.33 0.00 0.00 -1.18 0.00 0.00 59.36 57.43 1oqd h GLU 97 Cb 1.28 0.12 0.00 0.00 -0.16 0.00 0.00 28.75 30.00 1oqd h GLU 97 CO 0.50 0.99 0.00 0.25 -1.18 0.00 0.00 179.01 179.57 1oqd n THR 98 N -3.35 0.00 -3.52 0.32 -2.24 -1.26 -4.75 114.28 99.47 1oqd n THR 98 Ca -0.24 0.09 -0.39 0.00 -2.27 0.00 0.00 64.05 61.24 1oqd n THR 98 Cb 1.05 -0.67 -0.04 0.00 -2.10 0.00 0.00 70.33 68.57 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 5.85 -0.29 3.22 1.43 -1.26 -5.03 118.68 122.59 1oqd s LEU 99 Ca 0.00 -3.70 -0.38 0.00 -1.03 0.00 0.00 54.13 49.01 1oqd s LEU 99 Cb 0.00 -2.02 -0.14 0.00 0.03 0.00 0.00 46.19 44.06 1oqd s LEU 99 CO 0.00 -0.22 1.90 -2.65 0.23 0.00 0.00 176.35 175.62 1oqd n PRO 100 N 2.44 1.18 -2.76 1.29 -0.02 -1.26 -4.89 135.00 130.97 1oqd n PRO 100 Ca 0.23 0.41 -0.06 0.00 -2.02 0.00 0.00 63.50 62.05 1oqd n PRO 100 Cb 0.38 -2.23 0.02 0.00 -0.02 0.00 0.00 33.50 31.66 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 6.84 -3.22 -3.98 2.55 3.02 -1.19 -4.18 115.26 115.10 1oqd n ASN 101 Ca 0.32 -3.07 -0.28 0.00 -0.03 0.00 0.00 54.58 51.51 1oqd n ASN 101 Cb 0.16 1.77 -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 2.43 -0.07 6.41 0.01 -0.58 -4.96 114.94 118.04 1oqd s ASN 102 Ca 0.31 -0.40 -0.03 0.00 -0.71 0.00 0.00 52.86 52.02 1oqd s ASN 102 Cb 0.09 -1.02 -0.04 0.00 0.41 0.00 0.00 41.25 40.69 1oqd s ASN 102 CO -0.13 -0.07 0.08 -0.94 -1.51 0.00 0.00 177.10 174.53 1oqd s SER 103 N 1.52 5.82 -0.10 -1.22 1.04 -1.26 -0.06 113.70 119.43 1oqd s SER 103 Ca 0.04 0.27 0.03 0.00 0.48 0.00 0.00 55.95 56.76 1oqd s SER 103 Cb -0.13 -1.75 0.01 0.00 0.10 0.00 0.00 66.02 64.25 1oqd s SER 103 CO -0.09 0.36 -0.17 0.00 0.98 0.00 0.00 173.24 174.32 1oqd s TYR 105 N 0.70 2.94 -0.23 0.00 5.04 -1.26 -2.70 117.35 121.84 1oqd s TYR 105 Ca -0.12 -0.01 -0.23 0.00 -2.44 0.00 0.00 57.07 54.26 1oqd s TYR 105 Cb -0.16 -1.61 0.06 0.00 0.35 0.00 0.00 41.96 40.60 1oqd s TYR 105 CO 0.03 0.41 0.65 0.45 -1.34 0.00 0.00 175.55 175.75 1oqd s SER 106 N -1.57 -0.67 0.17 4.32 0.15 -0.93 -5.02 113.70 110.14 1oqd s SER 106 Ca 0.19 1.25 -0.14 0.00 0.70 0.00 0.00 55.95 57.95 1oqd s SER 106 Cb -0.11 1.25 0.01 0.00 -1.71 0.00 0.00 66.02 65.46 1oqd s SER 106 CO 0.09 -0.26 0.40 0.00 1.20 0.00 0.00 173.24 174.67 1oqd s ALA 107 N 0.20 -0.56 0.10 5.45 0.00 -1.26 -2.29 121.76 123.40 1oqd s ALA 107 Ca -0.01 -0.45 -0.25 0.00 0.00 0.00 0.00 51.96 51.25 1oqd s ALA 107 Cb -0.04 0.80 0.08 0.00 0.00 0.00 0.00 23.12 23.96 1oqd s ALA 107 CO 0.02 -0.70 1.13 0.20 0.00 0.00 0.00 175.76 176.41 1oqd s GLY 108 N -2.89 -0.01 -0.07 0.00 0.00 -0.42 -5.00 107.32 98.92 1oqd s GLY 108 Ca 0.11 -0.14 0.00 0.00 0.00 0.00 0.00 44.72 44.69 1oqd s GLY 108 CO -0.04 3.30 -0.05 -0.42 0.00 0.00 0.00 173.10 175.89 1oqd s ILE 109 N -2.17 3.87 0.05 0.90 1.01 -1.26 -0.79 121.20 122.81 1oqd s ILE 109 Ca 0.24 -0.42 -0.07 0.00 0.00 0.00 0.00 60.65 60.40 1oqd s ILE 109 Cb -0.01 -2.59 -0.01 0.00 0.01 0.00 0.00 42.46 39.85 1oqd s ILE 109 CO 0.03 0.60 0.13 0.00 0.00 0.00 0.00 174.94 175.70 1oqd s ALA 110 N -0.82 -0.12 -0.21 9.38 0.00 -0.36 -4.99 121.76 124.63 1oqd s ALA 110 Ca 0.12 -0.57 -0.15 0.00 0.00 0.00 0.00 51.96 51.37 1oqd s ALA 110 Cb -0.11 0.31 -0.04 0.00 0.00 0.00 0.00 23.12 23.28 1oqd s ALA 110 CO 0.02 -0.38 0.36 0.21 0.00 0.00 0.00 175.76 175.97 1oqd s LYS 111 N -3.01 4.14 0.24 0.00 2.47 -1.26 -1.28 119.74 121.04 1oqd s LYS 111 Ca -0.02 0.11 0.08 0.00 -1.56 0.00 0.00 55.97 54.59 1oqd s LYS 111 Cb 0.01 -3.55 -0.05 0.00 -1.46 0.00 0.00 37.83 32.78 1oqd s LYS 111 CO -0.06 -0.05 -0.13 -0.51 0.16 0.00 0.00 175.35 174.75 1oqd s LEU 112 N 1.36 2.55 0.18 5.43 1.43 -0.58 -5.00 118.68 124.05 1oqd s LEU 112 Ca 0.17 -1.07 0.06 0.00 -1.03 0.00 0.00 54.13 52.26 1oqd s LEU 112 Cb -0.15 -0.75 -0.05 0.00 0.03 0.00 0.00 46.19 45.28 1oqd s LEU 112 CO 0.08 -0.17 -0.13 -1.61 0.23 0.00 0.00 176.35 174.75 1oqd s GLU 113 N -3.64 1.21 0.08 1.70 2.02 -1.26 -1.62 118.70 117.19 1oqd s GLU 113 Ca 0.26 -1.53 -0.37 0.00 0.02 0.00 0.00 54.97 53.35 1oqd s GLU 113 Cb -0.00 -0.90 -0.17 0.00 0.10 0.00 0.00 34.13 33.16 1oqd s GLU 113 CO 0.10 0.14 1.30 0.39 0.02 0.00 0.00 175.26 177.21 1oqd n GLU 114 N -0.30 1.04 0.00 1.61 1.02 -1.26 -0.46 120.64 122.29 1oqd n GLU 114 Ca -0.09 0.38 0.00 0.00 -0.02 0.00 0.00 57.16 57.43 1oqd n GLU 114 Cb 0.60 -2.00 0.00 0.00 -0.02 0.00 0.00 31.44 30.03 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 2.40 3.38 3.75 0.62 0.00 0.02 -4.81 105.19 110.54 1oqd n GLY 115 Ca 0.18 0.00 -0.35 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 -0.81 4.80 0.00 1.61 1.01 0.39 -4.55 116.67 119.12 1oqd s ASP 116 Ca 0.00 2.29 0.04 0.00 0.71 0.00 0.00 52.55 55.59 1oqd s ASP 116 Cb 0.00 -2.58 -0.01 0.00 1.01 0.00 0.00 42.92 41.33 1oqd s ASP 116 CO 0.00 -1.85 -0.13 -1.61 0.21 0.00 0.00 175.17 171.78 1oqd s GLU 117 N -3.72 1.01 0.01 8.23 2.02 -1.03 -1.08 118.70 124.15 1oqd s GLU 117 Ca 0.74 -0.53 0.03 0.00 0.02 0.00 0.00 54.97 55.23 1oqd s GLU 117 Cb -0.28 -0.99 -0.03 0.00 0.10 0.00 0.00 34.13 32.93 1oqd s GLU 117 CO 0.39 0.27 -0.04 -0.51 0.02 0.00 0.00 175.26 175.39 1oqd s LEU 118 N -0.51 3.29 0.01 1.80 1.43 0.80 -0.78 118.68 124.71 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 -1.90 0.02 0.00 0.03 0.00 0.00 46.19 44.28 1oqd s LEU 118 CO -0.00 0.27 0.27 0.00 0.23 0.00 0.00 176.35 177.12 1oqd s GLN 119 N -1.53 0.67 -0.26 1.70 -2.07 -0.71 -1.33 119.66 116.13 1oqd s GLN 119 Ca 0.18 -0.34 -0.06 0.00 -1.82 0.00 0.00 55.36 53.32 1oqd s GLN 119 Cb -0.11 0.29 -0.01 0.00 -1.09 0.00 0.00 33.01 32.09 1oqd s GLN 119 CO 0.09 -0.19 0.04 -1.17 -1.32 0.00 0.00 175.29 172.74 1oqd s LEU 120 N -1.57 3.47 0.03 2.60 1.98 -1.26 -0.28 118.68 123.65 1oqd s LEU 120 Ca -0.11 -0.48 0.07 0.00 -2.89 0.00 0.00 54.13 50.72 1oqd s LEU 120 Cb -0.04 -1.85 -0.02 0.00 0.66 0.00 0.00 46.19 44.93 1oqd s LEU 120 CO 0.01 -0.10 -0.22 0.00 -1.89 0.00 0.00 176.35 174.16 1oqd s ALA 121 N 1.52 1.83 -0.27 5.97 0.00 0.84 -4.43 121.76 127.23 1oqd s ALA 121 Ca 0.04 -1.06 -0.03 0.00 0.00 0.00 0.00 51.96 50.91 1oqd s ALA 121 Cb -0.16 -0.38 0.03 0.00 0.00 0.00 0.00 23.12 22.61 1oqd s ALA 121 CO 0.01 0.42 -0.02 0.42 0.00 0.00 0.00 175.76 176.59 1oqd s ILE 122 N -0.74 3.13 0.00 0.00 1.01 -0.64 0.12 121.20 124.08 1oqd s ILE 122 Ca 0.08 -1.00 -0.03 0.00 0.00 0.00 0.00 60.65 59.70 1oqd s ILE 122 Cb -0.09 -2.63 -0.14 0.00 0.01 0.00 0.00 42.46 39.61 1oqd s ILE 122 CO 0.01 0.13 2.34 -2.65 0.00 0.00 0.00 174.94 174.78 1oqd n PRO 123 N 4.71 1.21 -4.35 2.79 -0.02 -1.26 -0.35 135.00 137.73 1oqd n PRO 123 Ca -0.16 -0.52 -0.21 0.00 -2.02 0.00 0.00 63.50 60.59 1oqd n PRO 123 Cb 0.47 -1.68 -0.13 0.00 -0.02 0.00 0.00 33.50 32.14 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 1.39 0.99 0.07 -0.52 3.00 -1.26 -4.97 118.95 117.66 1oqd s ARG 124 Ca 0.35 -0.87 -0.35 0.00 0.00 0.00 0.00 55.73 54.87 1oqd s ARG 124 Cb 0.17 -1.04 -0.18 0.00 0.00 0.00 0.00 34.95 33.89 1oqd s ARG 124 CO 0.00 0.25 1.60 0.93 0.00 0.00 0.00 175.30 178.08 1oqd h GLU 125 N 4.70 -1.00 -2.03 3.54 4.39 -1.87 -2.86 114.58 119.45 1oqd h GLU 125 Ca -0.40 0.07 -0.50 0.00 0.34 0.00 0.00 59.36 58.87 1oqd h GLU 125 Cb 1.18 0.23 -0.40 0.00 -0.10 0.00 0.00 28.75 29.66 1oqd h GLU 125 CO 0.43 -0.67 -1.14 -1.71 -1.16 0.00 0.00 179.01 174.76 1oqd n ASN 126 N -5.55 1.06 -4.57 1.42 5.15 -1.26 -4.52 115.26 106.99 1oqd n ASN 126 Ca -0.14 -3.02 -0.52 0.00 -0.60 0.00 0.00 54.58 50.30 1oqd n ASN 126 Cb 0.44 -0.62 -0.06 0.00 -0.53 0.00 0.00 39.78 39.01 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 0.41 -1.30 -2.75 5.20 0.00 -1.26 -4.90 120.51 115.90 1oqd n ALA 127 Ca 0.25 0.51 -0.43 0.00 0.00 0.00 0.00 53.44 53.77 1oqd n ALA 127 Cb 0.62 -2.01 -0.04 0.00 0.00 0.00 0.00 19.45 18.02 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 3.19 0.13 0.00 -1.52 -1.26 -5.00 119.66 115.34 1oqd s GLN 128 Ca 0.82 -0.58 0.09 0.00 -1.95 0.00 0.00 55.36 53.74 1oqd s GLN 128 Cb -0.96 -4.16 -0.04 0.00 -0.22 0.00 0.00 33.01 27.63 1oqd s GLN 128 CO 0.50 -1.73 -0.21 0.42 -0.25 0.00 0.00 175.29 174.02 1oqd s ILE 129 N 4.18 1.83 0.14 1.08 1.09 -1.26 -0.97 121.20 127.28 1oqd s ILE 129 Ca 0.26 -1.69 -0.16 0.00 -1.10 0.00 0.00 60.65 57.97 1oqd s ILE 129 Cb -0.15 -1.71 -0.07 0.00 -1.06 0.00 0.00 42.46 39.48 1oqd s ILE 129 CO 0.14 -0.11 0.57 -0.55 -0.10 0.00 0.00 174.94 174.89 1oqd s SER 130 N -2.15 6.89 -0.28 3.58 0.15 -0.57 -4.88 113.70 116.45 1oqd s SER 130 Ca 0.10 1.15 0.09 0.00 0.70 0.00 0.00 55.95 57.99 1oqd s SER 130 Cb -0.09 -2.32 0.50 0.00 -1.71 0.00 0.00 66.02 62.41 1oqd s SER 130 CO 0.05 0.13 1.44 0.18 1.20 0.00 0.00 173.24 176.24 1oqd n LEU 131 N 0.97 3.99 -4.74 3.45 4.32 -1.26 -4.63 117.00 119.10 1oqd n LEU 131 Ca -0.06 -3.75 -0.40 0.00 -0.02 0.00 0.00 56.01 51.78 1oqd n LEU 131 Cb 0.52 -0.62 -0.05 0.00 -1.62 0.00 0.00 43.42 41.65 1oqd n LEU 131 CO 0.42 1.24 0.56 -1.81 -1.22 0.00 0.00 177.39 176.58 1oqd s ASP 132 N -2.57 7.34 0.17 -1.43 -0.00 -1.26 -3.20 116.67 115.72 1oqd s ASP 132 Ca 0.44 1.60 0.12 0.00 -0.00 0.00 0.00 52.55 54.71 1oqd s ASP 132 Cb 0.40 -2.52 0.63 0.00 -0.00 0.00 0.00 42.92 41.43 1oqd s ASP 132 CO -0.00 -0.03 1.36 0.61 -0.00 0.00 0.00 175.17 177.10 1oqd n GLY 133 N 2.35 -0.70 0.20 0.21 0.00 -1.26 -2.00 105.19 103.99 1oqd n GLY 133 Ca -0.00 0.11 0.11 0.00 0.00 0.00 0.00 46.02 46.23 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 -1.91 1.36 -0.02 1.61 5.75 -1.26 -4.48 116.55 117.60 1oqd n ASP 134 Ca -0.01 -1.14 -0.01 0.00 -0.01 0.00 0.00 54.79 53.62 1oqd n ASP 134 Cb 0.02 0.71 -0.05 0.00 -1.03 0.00 0.00 41.12 40.77 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 -0.90 0.30 -3.83 2.12 0.24 -0.85 -4.95 118.33 110.46 1oqd n VAL 135 Ca 0.07 -0.23 -0.29 0.00 -2.04 0.00 0.00 64.34 61.85 1oqd n VAL 135 Cb 0.38 -0.51 -0.16 0.00 -1.47 0.00 0.00 33.84 32.09 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 -2.23 1.00 0.19 3.34 -1.32 -1.03 -3.78 115.64 111.80 1oqd s THR 136 Ca -0.03 -0.85 -0.03 0.00 -1.21 0.00 0.00 61.69 59.57 1oqd s THR 136 Cb 0.02 -1.38 -0.03 0.00 -1.51 0.00 0.00 72.50 69.60 1oqd s THR 136 CO 0.25 -0.14 0.17 0.72 -2.21 0.00 0.00 174.62 173.41 1oqd s PHE 137 N 1.64 0.93 -0.12 9.09 -0.12 -0.11 -2.34 117.98 126.95 1oqd s PHE 137 Ca -0.03 -1.21 -0.09 0.00 -0.05 0.00 0.00 56.93 55.55 1oqd s PHE 137 Cb -0.18 -0.40 0.04 0.00 -0.63 0.00 0.00 43.02 41.84 1oqd s PHE 137 CO -0.07 -0.66 0.29 0.12 -0.05 0.00 0.00 175.22 174.85 1oqd s PHE 138 N -4.10 -0.35 0.15 3.49 5.36 -0.70 -0.77 117.98 121.06 1oqd s PHE 138 Ca 0.32 0.84 -0.24 0.00 -0.96 0.00 0.00 56.93 56.88 1oqd s PHE 138 Cb 0.06 0.11 0.06 0.00 -0.34 0.00 0.00 43.02 42.91 1oqd s PHE 138 CO 0.08 -0.19 0.77 0.20 -1.46 0.00 0.00 175.22 174.62 1oqd s GLY 139 N 0.55 -0.37 0.01 13.12 0.00 0.02 0.66 107.32 121.32 1oqd s GLY 139 Ca -0.03 0.32 0.00 0.00 0.00 0.00 0.00 44.72 45.01 1oqd s GLY 139 CO -0.03 0.10 -0.02 0.00 0.00 0.00 0.00 173.10 173.15 1oqd s ALA 140 N -3.55 0.10 -0.04 3.20 0.00 -0.82 -0.83 121.76 119.82 1oqd s ALA 140 Ca 0.07 -0.31 0.01 0.00 0.00 0.00 0.00 51.96 51.73 1oqd s ALA 140 Cb -0.02 0.07 0.02 0.00 0.00 0.00 0.00 23.12 23.18 1oqd s ALA 140 CO -0.04 -0.07 -0.05 -1.17 0.00 0.00 0.00 175.76 174.43 1oqd s LEU 141 N -0.75 1.43 0.01 0.00 0.20 0.41 -1.45 118.68 118.53 1oqd s LEU 141 Ca -0.08 -0.13 -0.26 0.00 0.69 0.00 0.00 54.13 54.35 1oqd s LEU 141 Cb -0.05 -0.44 -0.04 0.00 -0.43 0.00 0.00 46.19 45.23 1oqd s LEU 141 CO -0.00 -0.03 0.82 -0.75 -0.29 0.00 0.00 176.35 176.09 1oqd s LYS 142 N 0.76 4.52 0.27 1.98 2.20 0.13 -0.33 119.74 129.27 1oqd s LYS 142 Ca -0.10 1.14 -0.15 0.00 -0.36 0.00 0.00 55.97 56.50 1oqd s LYS 142 Cb -0.13 -3.41 -0.08 0.00 -1.51 0.00 0.00 37.83 32.69 1oqd s LYS 142 CO 0.00 0.13 0.68 -0.51 -0.36 0.00 0.00 175.35 175.29 1oqd s LEU 143 N 0.47 4.16 0.00 5.43 1.43 0.22 -4.34 118.68 126.05 1oqd s LEU 143 Ca 0.43 1.22 0.29 0.00 -1.03 0.00 0.00 54.13 55.03 1oqd s LEU 143 Cb -0.20 -3.84 1.74 0.00 0.03 0.00 0.00 46.19 43.92 1oqd s LEU 143 CO 0.24 -0.11 2.07 0.18 0.23 0.00 0.00 176.35 178.96