#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 -0.36 2.52 -4.23 -1.26 -5.13 115.64 108.21 1oqd s THR 2 Ca 0.00 -2.03 -0.08 0.00 -1.18 0.00 0.00 61.69 58.40 1oqd s THR 2 Cb 0.00 -2.31 0.04 0.00 1.34 0.00 0.00 72.50 71.57 1oqd s THR 2 CO 0.00 -0.35 0.15 -1.10 -0.54 0.00 0.00 174.62 172.78 1oqd s GLN 3 N -3.86 2.66 0.55 3.99 -0.21 -1.26 -4.95 119.66 116.59 1oqd s GLN 3 Ca 0.28 -1.19 -0.20 0.00 0.02 0.00 0.00 55.36 54.27 1oqd s GLN 3 Cb 0.06 -3.57 -0.05 0.00 1.00 0.00 0.00 33.01 30.44 1oqd s GLN 3 CO 0.08 -0.71 1.18 -0.51 -2.12 0.00 0.00 175.29 173.21 1oqd s ASP 4 N 1.52 5.55 -0.02 5.90 1.11 -1.26 -4.78 116.67 124.69 1oqd s ASP 4 Ca -0.00 2.32 -0.29 0.00 0.18 0.00 0.00 52.55 54.77 1oqd s ASP 4 Cb -0.20 -2.60 0.09 0.00 1.07 0.00 0.00 42.92 41.28 1oqd s ASP 4 CO 0.04 -1.35 0.75 0.00 1.18 0.00 0.00 175.17 175.79 1oqd s LEU 6 N -1.71 0.74 -0.04 0.00 0.20 -0.40 -0.82 118.68 116.65 1oqd s LEU 6 Ca -0.04 0.15 0.07 0.00 0.69 0.00 0.00 54.13 54.99 1oqd s LEU 6 Cb -0.00 0.08 -0.02 0.00 -0.43 0.00 0.00 46.19 45.82 1oqd s LEU 6 CO 0.00 -0.16 -0.25 -1.58 -0.29 0.00 0.00 176.35 174.08 1oqd s GLN 7 N 1.36 2.37 0.10 1.98 0.74 -0.13 -1.71 119.66 124.37 1oqd s GLN 7 Ca -0.06 -0.90 0.07 0.00 0.05 0.00 0.00 55.36 54.52 1oqd s GLN 7 Cb -0.12 -2.13 -0.04 0.00 1.10 0.00 0.00 33.01 31.82 1oqd s GLN 7 CO -0.04 0.47 -0.12 -0.51 -0.55 0.00 0.00 175.29 174.54 1oqd s LEU 8 N -0.38 2.96 0.04 3.68 1.02 0.29 -0.63 118.68 125.64 1oqd s LEU 8 Ca 0.03 -0.42 0.04 0.00 0.02 0.00 0.00 54.13 53.80 1oqd s LEU 8 Cb -0.12 -1.76 -0.02 0.00 0.02 0.00 0.00 46.19 44.31 1oqd s LEU 8 CO 0.01 0.18 -0.13 -0.63 0.02 0.00 0.00 176.35 175.81 1oqd s ILE 9 N -1.18 0.98 0.38 -0.59 1.01 0.65 -1.47 121.20 120.97 1oqd s ILE 9 Ca 0.20 -0.95 -0.28 0.00 0.00 0.00 0.00 60.65 59.62 1oqd s ILE 9 Cb -0.11 -0.91 -0.11 0.00 0.01 0.00 0.00 42.46 41.34 1oqd s ILE 9 CO 0.12 -0.04 1.45 0.00 0.00 0.00 0.00 174.94 176.48 1oqd n ALA 10 N 1.92 2.19 -3.48 9.38 0.00 -0.90 0.01 120.51 129.61 1oqd n ALA 10 Ca -0.18 0.34 -0.42 0.00 0.00 0.00 0.00 53.44 53.17 1oqd n ALA 10 Cb 0.55 -2.39 -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 -0.18 5.94 0.00 0.00 2.15 0.72 -4.19 116.67 121.11 1oqd s ASP 11 Ca 0.54 -2.15 0.03 0.00 0.43 0.00 0.00 52.55 51.40 1oqd s ASP 11 Cb -0.49 -2.07 0.15 0.00 -0.30 0.00 0.00 42.92 40.21 1oqd s ASP 11 CO 0.63 -0.66 0.97 -1.54 -0.17 0.00 0.00 175.17 174.40 1oqd n SER 12 N 4.62 0.00 -0.99 -0.34 3.41 -1.18 -2.60 113.62 116.54 1oqd n SER 12 Ca -0.03 0.32 0.11 0.00 -0.26 0.00 0.00 58.87 59.01 1oqd n SER 12 Cb 0.41 -0.35 0.26 0.00 -0.26 0.00 0.00 64.21 64.27 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 -1.35 2.29 -4.08 4.33 1.02 -1.26 -4.91 120.64 116.67 1oqd n GLU 13 Ca 0.01 -1.95 -0.13 0.00 -0.02 0.00 0.00 57.16 55.07 1oqd n GLU 13 Cb 0.03 -1.47 -0.11 0.00 -0.02 0.00 0.00 31.44 29.86 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 -1.53 0.57 0.64 2.62 -4.23 -1.07 -5.14 115.64 107.50 1oqd s THR 14 Ca 0.37 -1.20 -0.17 0.00 -1.18 0.00 0.00 61.69 59.51 1oqd s THR 14 Cb 0.21 -0.76 -0.01 0.00 1.34 0.00 0.00 72.50 73.28 1oqd s THR 14 CO 0.29 -0.44 1.22 -2.84 -0.54 0.00 0.00 174.62 172.31 1oqd s PRO 15 N -1.88 2.66 0.28 3.99 0.02 -1.26 -4.87 135.00 133.94 1oqd s PRO 15 Ca -0.07 1.84 -0.29 0.00 0.02 0.00 0.00 61.00 62.50 1oqd s PRO 15 Cb -0.08 -1.89 -0.10 0.00 0.02 0.00 0.00 34.50 32.46 1oqd s PRO 15 CO -0.00 -1.45 1.28 0.95 -0.33 0.00 0.00 177.00 177.45 1oqd s THR 16 N -1.69 2.99 0.03 0.99 -4.23 -1.26 -4.68 115.64 107.78 1oqd s THR 16 Ca 0.77 0.92 -0.30 0.00 -1.18 0.00 0.00 61.69 61.90 1oqd s THR 16 Cb -0.31 -3.59 -0.04 0.00 1.34 0.00 0.00 72.50 69.90 1oqd s THR 16 CO 0.38 0.19 1.12 -0.63 -0.54 0.00 0.00 174.62 175.14 1oqd s ILE 17 N -0.70 4.34 -0.13 2.99 1.01 -0.42 -4.88 121.20 123.42 1oqd s ILE 17 Ca 0.51 1.68 -0.05 0.00 0.00 0.00 0.00 60.65 62.79 1oqd s ILE 17 Cb -0.38 -4.08 -0.04 0.00 0.01 0.00 0.00 42.46 37.98 1oqd s ILE 17 CO 0.46 0.12 0.04 -1.10 0.00 0.00 0.00 174.94 174.46 1oqd s GLN 18 N 1.16 3.43 -0.29 2.79 1.11 -1.26 -0.58 119.66 126.01 1oqd s GLN 18 Ca 0.56 -0.35 -0.21 0.00 0.01 0.00 0.00 55.36 55.37 1oqd s GLN 18 Cb -0.26 -3.00 0.17 0.00 -1.01 0.00 0.00 33.01 28.90 1oqd s GLN 18 CO 0.28 0.55 1.19 0.21 0.01 0.00 0.00 175.29 177.53 1oqd s LYS 19 N -0.42 0.25 -1.28 2.91 2.20 -0.78 -4.96 119.74 117.65 1oqd s LYS 19 Ca 0.09 0.35 -0.10 0.00 -0.36 0.00 0.00 55.97 55.95 1oqd s LYS 19 Cb -0.12 0.10 0.08 0.00 -1.51 0.00 0.00 37.83 36.37 1oqd s LYS 19 CO 0.02 -0.04 0.49 0.41 -0.36 0.00 0.00 175.35 175.87 1oqd n GLY 20 N 2.49 -0.48 2.44 5.54 0.00 -1.26 0.12 105.19 114.03 1oqd n GLY 20 Ca -0.14 0.09 -0.20 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 -2.29 -5.55 -4.39 1.61 3.41 -1.26 -5.00 113.62 100.16 1oqd n SER 21 Ca -0.01 0.15 -0.28 0.00 -0.26 0.00 0.00 58.87 58.47 1oqd n SER 21 Cb 0.54 -4.65 -0.12 0.00 -0.26 0.00 0.00 64.21 59.71 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 -2.90 2.23 -0.14 7.33 1.51 0.12 -3.64 117.35 121.86 1oqd s TYR 22 Ca 0.00 -0.38 -0.02 0.00 -1.01 0.00 0.00 57.07 55.65 1oqd s TYR 22 Cb 0.00 -1.18 -0.02 0.00 -0.11 0.00 0.00 41.96 40.65 1oqd s TYR 22 CO 0.00 0.37 -0.07 0.99 -1.11 0.00 0.00 175.55 175.73 1oqd s THR 23 N -1.29 3.61 -0.13 -0.71 2.01 0.62 -1.87 115.64 117.87 1oqd s THR 23 Ca 0.15 -0.46 0.01 0.00 0.31 0.00 0.00 61.69 61.70 1oqd s THR 23 Cb -0.09 -2.56 -0.01 0.00 0.01 0.00 0.00 72.50 69.85 1oqd s THR 23 CO 0.07 0.51 -0.16 -0.36 -0.69 0.00 0.00 174.62 173.99 1oqd s PHE 24 N 0.33 2.76 0.24 4.92 0.40 0.25 -1.50 117.98 125.38 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 -1.83 -0.09 0.00 0.51 0.00 0.00 43.02 41.46 1oqd s PHE 24 CO 0.04 -0.32 1.34 0.08 0.70 0.00 0.00 175.22 177.05 1oqd s VAL 25 N 0.47 2.99 -0.50 -0.44 1.01 -1.26 -1.30 120.40 121.38 1oqd s VAL 25 Ca -0.11 0.85 -0.29 0.00 0.00 0.00 0.00 61.98 62.44 1oqd s VAL 25 Cb -0.16 -3.54 0.03 0.00 0.00 0.00 0.00 36.38 32.70 1oqd s VAL 25 CO 0.05 0.14 1.13 -2.84 0.00 0.00 0.00 175.10 173.58 1oqd s PRO 26 N -0.50 3.67 0.41 2.72 0.02 -1.26 -4.88 135.00 135.19 1oqd s PRO 26 Ca 0.56 0.47 -0.07 0.00 0.02 0.00 0.00 61.00 61.97 1oqd s PRO 26 Cb -0.38 -3.93 -0.05 0.00 0.02 0.00 0.00 34.50 30.16 1oqd s PRO 26 CO 0.42 -1.43 0.74 -1.58 -0.33 0.00 0.00 177.00 174.82 1oqd s TRP 27 N 4.49 3.51 -0.00 6.54 0.52 -1.26 -0.20 118.94 132.53 1oqd s TRP 27 Ca 0.46 0.88 0.01 0.00 0.02 0.00 0.00 56.10 57.48 1oqd s TRP 27 Cb -0.07 -2.33 -0.00 0.00 -1.15 0.00 0.00 33.47 29.92 1oqd s TRP 27 CO 0.30 -0.12 -0.04 -1.17 0.02 0.00 0.00 176.95 175.94 1oqd s LEU 28 N -4.14 1.99 0.11 2.99 2.96 0.10 -4.71 118.68 117.98 1oqd s LEU 28 Ca 0.48 -0.07 -0.31 0.00 -0.22 0.00 0.00 54.13 54.01 1oqd s LEU 28 Cb -0.10 -0.21 -0.09 0.00 0.50 0.00 0.00 46.19 46.28 1oqd s LEU 28 CO 0.36 0.05 1.61 -0.22 -1.32 0.00 0.00 176.35 176.83 1oqd s LEU 29 N -0.08 4.37 -0.16 -0.68 2.96 -1.26 -0.25 118.68 123.58 1oqd s LEU 29 Ca 0.01 2.53 -0.13 0.00 -0.22 0.00 0.00 54.13 56.32 1oqd s LEU 29 Cb -0.02 -3.58 -0.09 0.00 0.50 0.00 0.00 46.19 43.01 1oqd s LEU 29 CO -0.00 -0.86 0.02 -1.28 -1.32 0.00 0.00 176.35 172.91 1oqd h SER 30 N 7.70 0.00 -4.47 3.68 0.87 -1.18 -3.45 113.55 116.70 1oqd h SER 30 Ca -0.43 -0.21 0.06 0.00 -1.23 0.00 0.00 61.79 59.98 1oqd h SER 30 Cb 1.20 0.00 -0.20 0.00 -0.44 0.00 0.00 62.40 62.97 1oqd h SER 30 CO 0.92 0.97 0.45 0.72 -0.53 0.00 0.00 176.83 179.36 1oqd s PHE 31 N -2.20 -0.43 -0.03 2.24 -0.12 -1.05 -5.00 117.98 111.40 1oqd s PHE 31 Ca -0.18 0.60 0.02 0.00 -0.05 0.00 0.00 56.93 57.32 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 -0.47 -0.06 0.21 -0.05 0.00 0.00 175.22 175.18 1oqd s LYS 32 N -1.78 0.76 -0.07 1.99 2.20 -1.26 -0.96 119.74 120.62 1oqd s LYS 32 Ca -0.02 -0.19 -0.02 0.00 -0.36 0.00 0.00 55.97 55.38 1oqd s LYS 32 Cb -0.01 -0.75 0.03 0.00 -1.51 0.00 0.00 37.83 35.60 1oqd s LYS 32 CO -0.00 0.04 0.05 0.50 -0.36 0.00 0.00 175.35 175.58 1oqd s ARG 33 N 0.40 0.12 0.20 4.03 3.52 0.00 -5.01 118.95 122.21 1oqd s ARG 33 Ca -0.05 0.23 0.00 0.00 -0.13 0.00 0.00 55.73 55.77 1oqd s ARG 33 Cb -0.09 -0.85 0.00 0.00 -1.56 0.00 0.00 34.95 32.44 1oqd s ARG 33 CO 0.00 -0.38 0.00 0.41 -0.81 0.00 0.00 175.30 174.52 1oqd n GLY 34 N 5.25 -1.80 0.00 8.12 0.00 -1.26 -1.39 105.19 114.11 1oqd n GLY 34 Ca -0.05 -1.94 0.00 0.00 0.00 0.00 0.00 46.02 44.03 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 1.88 0.31 1.61 3.41 -1.26 -4.76 113.62 114.87 1oqd n SER 35 Ca 0.00 -0.29 0.19 0.00 -0.26 0.00 0.00 58.87 58.51 1oqd n SER 35 Cb 0.00 0.96 0.96 0.00 -0.26 0.00 0.00 64.21 65.87 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 1.09 -3.91 7.33 0.00 -1.92 -3.42 119.26 118.43 1oqd h ALA 36 Ca 0.00 -0.02 -0.38 0.00 0.00 0.00 0.00 54.91 54.51 1oqd h ALA 36 Cb 0.00 -0.00 -0.29 0.00 0.00 0.00 0.00 17.79 17.49 1oqd h ALA 36 CO 0.00 0.03 -0.77 -0.51 0.00 0.00 0.00 179.25 178.00 1oqd s LEU 37 N -6.50 1.91 0.10 0.00 1.43 -1.26 -0.49 118.68 113.88 1oqd s LEU 37 Ca -0.03 -0.14 0.03 0.00 -1.03 0.00 0.00 54.13 52.96 1oqd s LEU 37 Cb 0.12 -0.42 -0.04 0.00 0.03 0.00 0.00 46.19 45.88 1oqd s LEU 37 CO 0.49 0.07 -0.09 -1.61 0.23 0.00 0.00 176.35 175.44 1oqd s GLU 38 N -0.01 0.87 -0.08 1.70 2.02 -0.10 -4.88 118.70 118.23 1oqd s GLU 38 Ca 0.00 -1.25 -0.14 0.00 0.02 0.00 0.00 54.97 53.60 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 0.35 -1.83 0.02 0.00 0.00 175.26 173.85 1oqd s GLU 39 N -3.23 4.01 -0.13 1.61 -1.05 -1.26 0.61 118.70 119.26 1oqd s GLU 39 Ca 0.09 0.26 -0.05 0.00 -0.15 0.00 0.00 54.97 55.12 1oqd s GLU 39 Cb 0.00 -3.30 0.06 0.00 -0.44 0.00 0.00 34.13 30.45 1oqd s GLU 39 CO -0.01 0.50 0.26 0.21 0.95 0.00 0.00 175.26 177.17 1oqd s LYS 40 N -0.40 0.15 -1.48 -4.83 2.20 0.11 -4.85 119.74 110.64 1oqd s LYS 40 Ca 0.21 0.72 -0.08 0.00 -0.36 0.00 0.00 55.97 56.46 1oqd s LYS 40 Cb -0.15 -0.05 0.01 0.00 -1.51 0.00 0.00 37.83 36.13 1oqd s LYS 40 CO 0.09 -0.27 0.14 0.39 -0.36 0.00 0.00 175.35 175.34 1oqd n GLU 41 N 5.19 -0.78 -1.44 4.03 1.02 -1.26 0.32 120.64 127.73 1oqd n GLU 41 Ca -0.09 0.08 -0.12 0.00 -0.02 0.00 0.00 57.16 57.01 1oqd n GLU 41 Cb 0.50 -3.34 -0.05 0.00 -0.02 0.00 0.00 31.44 28.54 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 -4.37 -4.27 1.62 4.05 -1.26 -5.00 115.26 103.30 1oqd n ASN 42 Ca -0.28 0.26 -0.15 0.00 0.45 0.00 0.00 54.58 54.86 1oqd n ASN 42 Cb 0.67 -2.99 -0.10 0.00 1.23 0.00 0.00 39.78 38.59 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 -3.18 1.27 -0.27 1.20 1.02 0.15 -4.87 119.74 115.07 1oqd s LYS 43 Ca 0.00 -1.67 -0.10 0.00 0.02 0.00 0.00 55.97 54.23 1oqd s LYS 43 Cb 0.00 -0.17 -0.04 0.00 -0.52 0.00 0.00 37.83 37.10 1oqd s LYS 43 CO 0.00 -0.26 0.15 0.42 -0.92 0.00 0.00 175.35 174.74 1oqd s ILE 44 N -3.80 4.95 -0.17 2.17 1.01 -0.33 0.06 121.20 125.11 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 -3.34 -0.05 0.00 0.01 0.00 0.00 42.46 39.15 1oqd s ILE 44 CO 0.10 0.29 0.27 -0.22 0.00 0.00 0.00 174.94 175.38 1oqd s LEU 45 N 1.68 4.24 -0.14 2.97 2.96 0.20 -0.09 118.68 130.50 1oqd s LEU 45 Ca 0.07 0.47 -0.20 0.00 -0.22 0.00 0.00 54.13 54.24 1oqd s LEU 45 Cb -0.16 -2.34 -0.03 0.00 0.50 0.00 0.00 46.19 44.16 1oqd s LEU 45 CO 0.08 0.11 0.59 -0.69 -1.32 0.00 0.00 176.35 175.12 1oqd s VAL 46 N 0.45 5.09 -0.54 1.68 1.01 -0.35 -0.92 120.40 126.81 1oqd s VAL 46 Ca 0.15 1.17 0.12 0.00 0.00 0.00 0.00 61.98 63.42 1oqd s VAL 46 Cb -0.13 -3.92 -0.13 0.00 0.00 0.00 0.00 36.38 32.20 1oqd s VAL 46 CO 0.03 0.22 0.50 0.29 0.00 0.00 0.00 175.10 176.14 1oqd n LYS 47 N 4.26 2.95 -3.81 2.72 4.76 0.36 -0.72 118.16 128.67 1oqd n LYS 47 Ca -0.03 -0.00 -0.16 0.00 -2.87 0.00 0.00 58.31 55.24 1oqd n LYS 47 Cb 0.51 -1.07 -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 -2.16 0.06 0.47 1.97 2.02 -1.23 -4.77 118.70 115.06 1oqd s GLU 48 Ca 0.04 0.16 -0.20 0.00 0.02 0.00 0.00 54.97 54.99 1oqd s GLU 48 Cb 0.09 -0.32 -0.09 0.00 0.10 0.00 0.00 34.13 33.90 1oqd s GLU 48 CO 0.49 -0.16 1.00 0.95 0.02 0.00 0.00 175.26 177.56 1oqd s THR 49 N 1.08 4.05 -4.05 3.63 -4.23 -1.26 -4.53 115.64 110.32 1oqd s THR 49 Ca -0.09 1.25 0.00 0.00 -1.18 0.00 0.00 61.69 61.67 1oqd s THR 49 Cb -0.13 -3.51 0.00 0.00 1.34 0.00 0.00 72.50 70.19 1oqd s THR 49 CO -0.03 -0.30 0.00 0.61 -0.54 0.00 0.00 174.62 174.36 1oqd n GLY 50 N -0.48 -0.83 3.64 3.99 0.00 -0.64 -4.95 105.19 105.92 1oqd n GLY 50 Ca 0.08 -1.07 -0.35 0.00 0.00 0.00 0.00 46.02 44.68 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 3.28 0.10 1.61 1.51 -1.26 -1.52 117.35 118.07 1oqd s TYR 51 Ca 0.00 0.12 0.10 0.00 -1.01 0.00 0.00 57.07 56.27 1oqd s TYR 51 Cb 0.00 -2.17 -0.04 0.00 -0.11 0.00 0.00 41.96 39.65 1oqd s TYR 51 CO 0.00 0.10 -0.25 -0.06 -1.11 0.00 0.00 175.55 174.24 1oqd s PHE 52 N 0.69 2.12 -0.27 2.71 0.40 -0.33 -0.48 117.98 122.82 1oqd s PHE 52 Ca 0.05 -0.39 -0.12 0.00 -0.60 0.00 0.00 56.93 55.87 1oqd s PHE 52 Cb -0.13 -1.18 -0.05 0.00 0.51 0.00 0.00 43.02 42.18 1oqd s PHE 52 CO 0.01 0.25 0.25 0.12 0.70 0.00 0.00 175.22 176.55 1oqd s PHE 53 N -1.03 3.25 -0.04 0.36 5.36 0.40 -1.38 117.98 124.90 1oqd s PHE 53 Ca 0.11 0.25 0.05 0.00 -0.96 0.00 0.00 56.93 56.38 1oqd s PHE 53 Cb -0.10 -2.43 -0.02 0.00 -0.34 0.00 0.00 43.02 40.13 1oqd s PHE 53 CO 0.05 -0.14 -0.20 0.42 -1.46 0.00 0.00 175.22 173.89 1oqd s ILE 54 N 1.72 2.59 0.08 3.12 1.01 0.03 -0.66 121.20 129.09 1oqd s ILE 54 Ca 0.10 -0.90 -0.08 0.00 0.00 0.00 0.00 60.65 59.77 1oqd s ILE 54 Cb -0.15 -1.97 -0.01 0.00 0.01 0.00 0.00 42.46 40.34 1oqd s ILE 54 CO 0.10 0.58 0.16 -0.72 0.00 0.00 0.00 174.94 175.06 1oqd s TYR 55 N -0.57 0.18 -0.13 3.97 -0.85 -0.31 -1.33 117.35 118.31 1oqd s TYR 55 Ca 0.08 -0.58 -0.30 0.00 -0.52 0.00 0.00 57.07 55.74 1oqd s TYR 55 Cb -0.11 -0.09 0.11 0.00 0.38 0.00 0.00 41.96 42.25 1oqd s TYR 55 CO 0.01 -0.50 0.91 0.20 -1.52 0.00 0.00 175.55 174.64 1oqd s GLY 56 N -2.73 -0.35 -0.02 5.49 0.00 -0.99 -1.15 107.32 107.58 1oqd s GLY 56 Ca 0.03 1.85 -0.05 0.00 0.00 0.00 0.00 44.72 46.55 1oqd s GLY 56 CO -0.10 1.02 0.11 1.62 0.00 0.00 0.00 173.10 175.75 1oqd s GLN 57 N -1.12 0.29 -0.00 2.90 0.74 -0.29 -2.14 119.66 120.04 1oqd s GLN 57 Ca -0.04 -0.14 0.00 0.00 0.05 0.00 0.00 55.36 55.22 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 0.00 0.08 -0.55 0.00 0.00 175.29 174.80 1oqd s VAL 58 N -0.67 0.01 -0.36 1.34 1.01 -1.10 -1.24 120.40 119.39 1oqd s VAL 58 Ca -0.08 0.02 -0.14 0.00 0.00 0.00 0.00 61.98 61.78 1oqd s VAL 58 Cb -0.05 -0.03 -0.00 0.00 0.00 0.00 0.00 36.38 36.30 1oqd s VAL 58 CO 0.01 0.02 0.31 -0.22 0.00 0.00 0.00 175.10 175.21 1oqd s LEU 59 N 0.12 4.67 -0.15 3.92 0.20 -1.25 -1.46 118.68 124.73 1oqd s LEU 59 Ca -0.01 -0.50 -0.18 0.00 0.69 0.00 0.00 54.13 54.13 1oqd s LEU 59 Cb -0.02 -2.22 -0.04 0.00 -0.43 0.00 0.00 46.19 43.48 1oqd s LEU 59 CO -0.00 -0.35 0.47 -0.31 -0.29 0.00 0.00 176.35 175.87 1oqd s TYR 60 N 1.84 3.46 -0.18 5.38 1.51 0.13 -1.73 117.35 127.76 1oqd s TYR 60 Ca 0.08 0.82 0.15 0.00 -1.01 0.00 0.00 57.07 57.11 1oqd s TYR 60 Cb -0.17 -2.57 0.43 0.00 -0.11 0.00 0.00 41.96 39.54 1oqd s TYR 60 CO 0.11 0.09 1.20 0.25 -1.11 0.00 0.00 175.55 176.09 1oqd n THR 61 N 3.93 1.70 -4.56 -0.71 -2.24 -0.30 -1.48 114.28 110.61 1oqd n THR 61 Ca -0.07 -2.88 -0.34 0.00 -2.27 0.00 0.00 64.05 58.50 1oqd n THR 61 Cb 0.51 -0.00 -0.12 0.00 -2.10 0.00 0.00 70.33 68.62 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 -3.05 4.67 -0.16 3.42 3.68 -1.04 -4.73 116.67 119.45 1oqd s ASP 62 Ca 0.38 -0.07 0.06 0.00 2.13 0.00 0.00 52.55 55.06 1oqd s ASP 62 Cb 0.38 -1.40 0.42 0.00 -1.45 0.00 0.00 42.92 40.87 1oqd s ASP 62 CO -0.07 0.29 1.28 2.29 0.13 0.00 0.00 175.17 179.09 1oqd n LYS 63 N 2.70 2.67 -0.57 4.34 2.85 -1.26 -4.72 118.16 124.16 1oqd n LYS 63 Ca -0.18 -1.68 -0.06 0.00 -1.05 0.00 0.00 58.31 55.34 1oqd n LYS 63 Cb 0.53 -1.83 -0.09 0.00 -0.65 0.00 0.00 35.03 32.99 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 0.11 1.78 0.00 0.58 -1.04 -1.26 -4.80 114.28 109.65 1oqd n THR 64 Ca 0.20 -0.83 0.00 0.00 -2.04 0.00 0.00 64.05 61.38 1oqd n THR 64 Cb 0.88 -1.72 0.00 0.00 -1.82 0.00 0.00 70.33 67.67 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 2.50 0.00 -3.66 -1.42 0.18 -1.26 -4.49 117.16 109.01 1oqd n TYR 65 Ca 0.22 0.00 -0.08 0.00 1.88 0.00 0.00 57.90 59.92 1oqd n TYR 65 Cb 0.53 0.00 -0.09 0.00 -0.38 0.00 0.00 39.34 39.40 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 -1.25 0.26 -3.48 0.00 -1.26 -1.06 121.76 114.97 1oqd s ALA 66 Ca 0.00 1.62 0.07 0.00 0.00 0.00 0.00 51.96 53.65 1oqd s ALA 66 Cb 0.00 -1.30 -0.05 0.00 0.00 0.00 0.00 23.12 21.76 1oqd s ALA 66 CO 0.00 -0.68 -0.08 -1.64 0.00 0.00 0.00 175.76 173.37 1oqd s MET 67 N 2.40 1.49 0.00 0.00 -1.94 -0.32 -4.95 119.30 115.99 1oqd s MET 67 Ca -0.04 -1.74 0.00 0.00 -1.71 0.00 0.00 55.69 52.21 1oqd s MET 67 Cb -0.11 -1.12 0.00 0.00 2.01 0.00 0.00 34.83 35.61 1oqd s MET 67 CO -0.14 0.06 0.00 0.41 -0.01 0.00 0.00 175.02 175.35 1oqd n GLY 68 N -0.53 0.50 3.26 -0.03 0.00 -1.26 -0.39 105.19 106.73 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 -4.17 115.29 107.51 1oqd s HIS 69 Ca 0.00 -1.29 0.05 0.00 -0.80 0.00 0.00 55.06 53.02 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 -0.50 -0.17 -0.51 -2.00 0.00 0.00 174.74 171.56 1oqd s LEU 70 N -3.23 2.00 -0.34 5.38 1.43 0.33 -2.31 118.68 121.93 1oqd s LEU 70 Ca 0.38 -0.31 -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 0.19 0.19 -0.63 0.23 0.00 0.00 176.35 176.46 1oqd s ILE 71 N -0.28 4.81 0.24 -0.59 1.01 0.10 -0.16 121.20 126.33 1oqd s ILE 71 Ca 0.04 -0.47 0.09 0.00 0.00 0.00 0.00 60.65 60.32 1oqd s ILE 71 Cb -0.08 -3.52 -0.04 0.00 0.01 0.00 0.00 42.46 38.83 1oqd s ILE 71 CO 0.00 -0.03 -0.03 -1.10 0.00 0.00 0.00 174.94 173.77 1oqd s GLN 72 N 1.63 2.22 -0.10 2.79 -0.21 0.61 -1.24 119.66 125.37 1oqd s GLN 72 Ca 0.05 -1.38 0.03 0.00 0.02 0.00 0.00 55.36 54.07 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 0.08 0.38 -0.18 0.50 -2.12 0.00 0.00 175.29 173.95 1oqd s ARG 73 N -3.43 2.44 -0.45 2.91 3.52 0.23 -1.68 118.95 122.49 1oqd s ARG 73 Ca 0.30 -0.66 -0.13 0.00 -0.13 0.00 0.00 55.73 55.10 1oqd s ARG 73 Cb -0.07 -1.95 0.08 0.00 -1.56 0.00 0.00 34.95 31.45 1oqd s ARG 73 CO 0.19 0.06 0.35 0.15 -0.81 0.00 0.00 175.30 175.23 1oqd s LYS 74 N 0.64 2.85 0.28 5.12 1.02 -0.03 -0.36 119.74 129.26 1oqd s LYS 74 Ca -0.14 -1.39 -0.29 0.00 0.02 0.00 0.00 55.97 54.17 1oqd s LYS 74 Cb -0.16 -4.01 -0.10 0.00 -0.52 0.00 0.00 37.83 33.04 1oqd s LYS 74 CO 0.04 -1.01 1.36 0.15 -0.92 0.00 0.00 175.35 174.97 1oqd s LYS 75 N 1.56 4.33 0.07 1.68 1.02 0.79 -2.48 119.74 126.72 1oqd s LYS 75 Ca 0.04 2.22 -0.11 0.00 0.02 0.00 0.00 55.97 58.14 1oqd s LYS 75 Cb -0.24 -3.10 -0.26 0.00 -0.52 0.00 0.00 37.83 33.71 1oqd s LYS 75 CO 0.05 -0.28 1.14 0.28 -0.92 0.00 0.00 175.35 175.62 1oqd h VAL 76 N 3.32 1.34 -3.33 3.17 2.07 -1.87 -3.44 116.25 117.51 1oqd h VAL 76 Ca -0.47 -2.59 -0.64 0.00 0.82 0.00 0.00 66.70 63.82 1oqd h VAL 76 Cb 1.22 2.71 -0.22 0.00 -1.52 0.00 0.00 31.29 33.49 1oqd h VAL 76 CO 0.72 0.78 -0.68 -1.00 0.02 0.00 0.00 177.57 177.40 1oqd s HIS 77 N -2.95 3.00 0.03 1.57 3.76 -1.26 -5.07 115.29 114.36 1oqd s HIS 77 Ca -0.08 -0.30 0.05 0.00 -0.15 0.00 0.00 55.06 54.59 1oqd s HIS 77 Cb 0.06 -1.93 -0.02 0.00 1.11 0.00 0.00 32.58 31.81 1oqd s HIS 77 CO 0.91 -0.02 -0.15 0.08 -0.85 0.00 0.00 174.74 174.72 1oqd s VAL 78 N 0.25 1.21 0.02 -0.90 1.01 -1.26 -5.02 120.40 115.71 1oqd s VAL 78 Ca -0.03 -0.92 0.06 0.00 0.00 0.00 0.00 61.98 61.09 1oqd s VAL 78 Cb -0.14 -1.06 -0.02 0.00 0.00 0.00 0.00 36.38 35.15 1oqd s VAL 78 CO 0.03 0.13 -0.19 -0.36 0.00 0.00 0.00 175.10 174.71 1oqd s PHE 79 N -0.69 1.66 0.00 5.22 0.40 -1.26 -5.01 117.98 118.30 1oqd s PHE 79 Ca 0.04 -0.35 0.00 0.00 -0.60 0.00 0.00 56.93 56.02 1oqd s PHE 79 Cb -0.07 -1.02 0.00 0.00 0.51 0.00 0.00 43.02 42.44 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 2.12 2.92 1.95 4.36 0.00 -1.26 -1.04 105.19 114.24 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 4.14 5.33 -4.74 1.61 5.75 -1.26 -4.99 116.55 122.39 1oqd n ASP 81 Ca 0.00 -3.05 -0.35 0.00 -0.01 0.00 0.00 54.79 51.38 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 -2.84 2.58 -0.09 0.11 2.02 -0.21 -4.99 118.70 115.29 1oqd s GLU 82 Ca 0.54 1.81 -0.19 0.00 0.02 0.00 0.00 54.97 57.16 1oqd s GLU 82 Cb 0.42 -1.88 -0.04 0.00 0.10 0.00 0.00 34.13 32.73 1oqd s GLU 82 CO 0.15 -1.51 0.51 -0.51 0.02 0.00 0.00 175.26 173.92 1oqd s LEU 83 N -4.58 4.32 0.00 1.80 1.02 -1.26 -4.82 118.68 115.16 1oqd s LEU 83 Ca 0.76 0.92 0.28 0.00 0.02 0.00 0.00 54.13 56.11 1oqd s LEU 83 Cb -0.30 -2.76 1.31 0.00 0.02 0.00 0.00 46.19 44.46 1oqd s LEU 83 CO 0.39 0.03 1.93 -1.54 0.02 0.00 0.00 176.35 177.19 1oqd n SER 84 N 3.39 0.00 -4.20 2.29 3.41 -1.26 -4.60 113.62 112.65 1oqd n SER 84 Ca -0.07 0.16 -0.34 0.00 -0.26 0.00 0.00 58.87 58.36 1oqd n SER 84 Cb 0.52 -0.38 -0.14 0.00 -0.26 0.00 0.00 64.21 63.94 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 -2.77 3.05 -0.11 1.04 1.98 -1.26 -0.15 118.68 120.47 1oqd s LEU 85 Ca 0.21 -0.81 0.02 0.00 -2.89 0.00 0.00 54.13 50.66 1oqd s LEU 85 Cb 0.19 -1.65 -0.01 0.00 0.66 0.00 0.00 46.19 45.38 1oqd s LEU 85 CO 0.46 -0.10 -0.19 -0.69 -1.89 0.00 0.00 176.35 173.94 1oqd s VAL 86 N 1.33 2.49 -0.42 1.68 1.01 0.51 -4.95 120.40 122.05 1oqd s VAL 86 Ca 0.01 -0.87 -0.17 0.00 0.00 0.00 0.00 61.98 60.95 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 0.45 0.28 0.00 0.00 0.00 175.10 176.32 1oqd s THR 87 N 0.28 5.07 -0.02 3.92 -1.32 -1.26 0.76 115.64 123.07 1oqd s THR 87 Ca -0.14 -0.31 -0.21 0.00 -1.21 0.00 0.00 61.69 59.82 1oqd s THR 87 Cb -0.17 -4.04 -0.13 0.00 -1.51 0.00 0.00 72.50 66.65 1oqd s THR 87 CO 0.07 -0.42 0.91 -0.07 -2.21 0.00 0.00 174.62 172.90 1oqd h LEU 88 N 9.08 -0.42 -8.03 9.08 4.07 -1.52 -3.47 115.31 124.09 1oqd h LEU 88 Ca -0.26 -0.12 -0.29 0.00 0.08 0.00 0.00 57.88 57.28 1oqd h LEU 88 Cb 1.11 0.11 -0.25 0.00 1.08 0.00 0.00 40.66 42.71 1oqd h LEU 88 CO 0.80 0.01 -0.74 -0.36 -1.08 0.00 0.00 178.44 177.07 1oqd s PHE 89 N -3.88 0.55 -0.05 1.13 0.40 -1.18 -5.01 117.98 109.93 1oqd s PHE 89 Ca -0.12 -0.30 -0.14 0.00 -0.60 0.00 0.00 56.93 55.77 1oqd s PHE 89 Cb 0.01 -0.34 0.03 0.00 0.51 0.00 0.00 43.02 43.23 1oqd s PHE 89 CO 0.40 -0.05 0.32 -0.98 0.70 0.00 0.00 175.22 175.61 1oqd s ARG 90 N -0.87 0.58 0.15 0.44 1.70 -1.26 -0.73 118.95 118.96 1oqd s ARG 90 Ca -0.04 0.03 0.02 0.00 -0.47 0.00 0.00 55.73 55.26 1oqd s ARG 90 Cb -0.06 0.26 -0.04 0.00 -0.57 0.00 0.00 34.95 34.54 1oqd s ARG 90 CO 0.00 -0.14 -0.01 0.00 -1.08 0.00 0.00 175.30 174.07 1oqd s ILE 92 N -3.65 0.22 -0.06 0.00 1.01 -1.26 -2.76 121.20 114.70 1oqd s ILE 92 Ca 0.21 -0.30 0.00 0.00 0.00 0.00 0.00 60.65 60.56 1oqd s ILE 92 Cb 0.06 -0.23 0.02 0.00 0.01 0.00 0.00 42.46 42.33 1oqd s ILE 92 CO 0.02 -0.06 -0.04 -1.10 0.00 0.00 0.00 174.94 173.76 1oqd s GLN 93 N -0.38 0.90 0.39 2.79 -1.52 0.47 -4.98 119.66 117.34 1oqd s GLN 93 Ca -0.02 -0.09 -0.26 0.00 -1.95 0.00 0.00 55.36 53.05 1oqd s GLN 93 Cb -0.03 -0.99 -0.09 0.00 -0.22 0.00 0.00 33.01 31.68 1oqd s GLN 93 CO -0.00 -0.15 1.18 -0.80 -0.25 0.00 0.00 175.29 175.26 1oqd s ASN 94 N 1.26 6.56 0.10 5.90 0.01 -1.26 -1.17 114.94 126.34 1oqd s ASN 94 Ca -0.05 2.37 0.06 0.00 -0.71 0.00 0.00 52.86 54.52 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 -0.65 -0.04 -0.04 -1.51 0.00 0.00 177.10 174.84 1oqd s MET 95 N -2.23 2.39 0.78 -0.60 -1.94 -0.22 -4.90 119.30 112.57 1oqd s MET 95 Ca 0.56 -0.91 -0.08 0.00 -1.71 0.00 0.00 55.69 53.55 1oqd s MET 95 Cb -0.31 -2.45 0.11 0.00 2.01 0.00 0.00 34.83 34.19 1oqd s MET 95 CO 0.40 0.53 1.09 -2.14 -0.01 0.00 0.00 175.02 174.89 1oqd s PRO 96 N -2.27 1.68 -0.06 2.03 0.02 -1.26 -4.38 135.00 130.76 1oqd s PRO 96 Ca 0.24 -0.47 0.01 0.00 0.02 0.00 0.00 61.00 60.80 1oqd s PRO 96 Cb -0.11 -2.11 -0.26 0.00 0.02 0.00 0.00 34.50 32.04 1oqd s PRO 96 CO 0.17 -1.60 0.62 1.49 -0.33 0.00 0.00 177.00 177.34 1oqd h GLU 97 N -0.87 0.17 0.00 5.54 4.57 -1.98 -3.42 114.58 118.59 1oqd h GLU 97 Ca -0.43 -0.30 0.00 0.00 -1.18 0.00 0.00 59.36 57.46 1oqd h GLU 97 Cb 1.29 0.11 0.00 0.00 -0.16 0.00 0.00 28.75 29.99 1oqd h GLU 97 CO 0.50 0.95 0.00 0.25 -1.18 0.00 0.00 179.01 179.53 1oqd n THR 98 N -3.33 0.00 -3.54 0.32 -2.24 -1.26 -4.76 114.28 99.47 1oqd n THR 98 Ca -0.22 0.09 -0.39 0.00 -2.27 0.00 0.00 64.05 61.25 1oqd n THR 98 Cb 1.05 -0.60 -0.04 0.00 -2.10 0.00 0.00 70.33 68.63 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 5.83 -0.26 3.22 1.43 -1.26 -5.03 118.68 122.60 1oqd s LEU 99 Ca 0.00 -3.62 -0.38 0.00 -1.03 0.00 0.00 54.13 49.10 1oqd s LEU 99 Cb 0.00 -2.01 -0.14 0.00 0.03 0.00 0.00 46.19 44.07 1oqd s LEU 99 CO 0.00 -0.23 1.91 -2.65 0.23 0.00 0.00 176.35 175.60 1oqd n PRO 100 N 2.54 1.34 -2.76 1.29 -0.02 -1.26 -4.90 135.00 131.23 1oqd n PRO 100 Ca 0.21 0.47 -0.06 0.00 -2.02 0.00 0.00 63.50 62.11 1oqd n PRO 100 Cb 0.38 -2.31 0.02 0.00 -0.02 0.00 0.00 33.50 31.57 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 6.92 -3.26 -3.95 2.55 3.02 -1.19 -4.18 115.26 115.17 1oqd n ASN 101 Ca 0.30 -3.04 -0.27 0.00 -0.03 0.00 0.00 54.58 51.54 1oqd n ASN 101 Cb 0.19 1.76 -0.17 0.00 -0.61 0.00 0.00 39.78 40.95 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 0.05 2.25 -0.07 6.41 0.01 -0.55 -4.96 114.94 118.08 1oqd s ASN 102 Ca 0.31 -0.35 -0.03 0.00 -0.71 0.00 0.00 52.86 52.08 1oqd s ASN 102 Cb 0.07 -0.92 -0.04 0.00 0.41 0.00 0.00 41.25 40.77 1oqd s ASN 102 CO -0.11 -0.08 0.07 -0.94 -1.51 0.00 0.00 177.10 174.53 1oqd s SER 103 N 1.49 5.73 -0.09 -1.22 1.04 -1.26 0.18 113.70 119.56 1oqd s SER 103 Ca 0.02 0.25 0.03 0.00 0.48 0.00 0.00 55.95 56.72 1oqd s SER 103 Cb -0.13 -1.71 0.01 0.00 0.10 0.00 0.00 66.02 64.29 1oqd s SER 103 CO -0.07 0.36 -0.17 0.00 0.98 0.00 0.00 173.24 174.34 1oqd s TYR 105 N 0.71 2.94 -0.23 0.00 5.04 -1.26 -2.69 117.35 121.85 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 -1.60 0.06 0.00 0.35 0.00 0.00 41.96 40.61 1oqd s TYR 105 CO 0.03 0.42 0.66 0.45 -1.34 0.00 0.00 175.55 175.76 1oqd s SER 106 N -1.65 -0.68 0.17 4.32 0.15 -0.91 -5.02 113.70 110.07 1oqd s SER 106 Ca 0.19 1.28 -0.13 0.00 0.70 0.00 0.00 55.95 57.99 1oqd s SER 106 Cb -0.11 1.29 0.01 0.00 -1.71 0.00 0.00 66.02 65.49 1oqd s SER 106 CO 0.10 -0.26 0.38 0.00 1.20 0.00 0.00 173.24 174.67 1oqd s ALA 107 N 0.23 -0.48 0.10 5.45 0.00 -1.26 -2.34 121.76 123.46 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 0.81 0.09 0.00 0.00 0.00 0.00 23.12 23.97 1oqd s ALA 107 CO 0.02 -0.70 1.14 0.20 0.00 0.00 0.00 175.76 176.42 1oqd s GLY 108 N -2.91 -0.00 -0.06 0.00 0.00 -0.44 -5.00 107.32 98.91 1oqd s GLY 108 Ca 0.12 -0.15 0.01 0.00 0.00 0.00 0.00 44.72 44.70 1oqd s GLY 108 CO -0.03 3.58 -0.06 -0.42 0.00 0.00 0.00 173.10 176.17 1oqd s ILE 109 N -2.13 3.76 0.05 0.90 1.01 -1.26 -0.79 121.20 122.74 1oqd s ILE 109 Ca 0.24 -0.49 -0.07 0.00 0.00 0.00 0.00 60.65 60.34 1oqd s ILE 109 Cb -0.01 -2.55 -0.01 0.00 0.01 0.00 0.00 42.46 39.90 1oqd s ILE 109 CO 0.03 0.58 0.14 0.00 0.00 0.00 0.00 174.94 175.68 1oqd s ALA 110 N -0.84 -0.15 -0.21 9.38 0.00 -0.48 -4.99 121.76 124.48 1oqd s ALA 110 Ca 0.13 -0.54 -0.15 0.00 0.00 0.00 0.00 51.96 51.40 1oqd s ALA 110 Cb -0.11 0.32 -0.04 0.00 0.00 0.00 0.00 23.12 23.29 1oqd s ALA 110 CO 0.02 -0.38 0.37 0.21 0.00 0.00 0.00 175.76 175.98 1oqd s LYS 111 N -3.01 4.15 0.24 0.00 2.47 -1.26 -1.19 119.74 121.14 1oqd s LYS 111 Ca -0.02 0.14 0.08 0.00 -1.56 0.00 0.00 55.97 54.61 1oqd s LYS 111 Cb 0.01 -3.54 -0.05 0.00 -1.46 0.00 0.00 37.83 32.79 1oqd s LYS 111 CO -0.06 -0.04 -0.12 -0.51 0.16 0.00 0.00 175.35 174.77 1oqd s LEU 112 N 1.32 2.54 0.18 5.43 1.43 -0.58 -5.00 118.68 124.01 1oqd s LEU 112 Ca 0.17 -1.08 0.06 0.00 -1.03 0.00 0.00 54.13 52.25 1oqd s LEU 112 Cb -0.15 -0.73 -0.05 0.00 0.03 0.00 0.00 46.19 45.30 1oqd s LEU 112 CO 0.08 -0.20 -0.12 -1.61 0.23 0.00 0.00 176.35 174.73 1oqd s GLU 113 N -3.65 1.20 0.10 1.70 2.02 -1.26 -1.62 118.70 117.19 1oqd s GLU 113 Ca 0.26 -1.52 -0.36 0.00 0.02 0.00 0.00 54.97 53.37 1oqd s GLU 113 Cb 0.00 -0.86 -0.17 0.00 0.10 0.00 0.00 34.13 33.20 1oqd s GLU 113 CO 0.10 0.12 1.27 0.39 0.02 0.00 0.00 175.26 177.16 1oqd n GLU 114 N -0.29 1.04 0.00 1.61 1.02 -1.26 -0.53 120.64 122.23 1oqd n GLU 114 Ca -0.09 0.38 0.00 0.00 -0.02 0.00 0.00 57.16 57.42 1oqd n GLU 114 Cb 0.61 -1.97 0.00 0.00 -0.02 0.00 0.00 31.44 30.06 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 0.10 -4.81 105.19 110.56 1oqd n GLY 115 Ca 0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.89 4.83 -0.00 1.61 1.01 0.31 -4.55 116.67 119.00 1oqd s ASP 116 Ca 0.00 2.27 0.04 0.00 0.71 0.00 0.00 52.55 55.57 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 -1.83 -0.14 -1.61 0.21 0.00 0.00 175.17 171.81 1oqd s GLU 117 N -3.73 1.06 -0.01 8.23 2.02 -1.03 -1.21 118.70 124.02 1oqd s GLU 117 Ca 0.73 -0.53 0.02 0.00 0.02 0.00 0.00 54.97 55.21 1oqd s GLU 117 Cb -0.27 -1.03 -0.03 0.00 0.10 0.00 0.00 34.13 32.89 1oqd s GLU 117 CO 0.39 0.28 -0.04 -0.51 0.02 0.00 0.00 175.26 175.40 1oqd s LEU 118 N -0.47 3.32 0.01 1.80 1.43 0.87 -0.85 118.68 124.79 1oqd s LEU 118 Ca 0.04 -0.06 -0.11 0.00 -1.03 0.00 0.00 54.13 52.97 1oqd s LEU 118 Cb -0.06 -1.88 0.01 0.00 0.03 0.00 0.00 46.19 44.30 1oqd s LEU 118 CO -0.00 0.30 0.22 0.00 0.23 0.00 0.00 176.35 177.10 1oqd s GLN 119 N -1.38 0.63 -0.28 1.70 -2.07 -0.68 -1.18 119.66 116.40 1oqd s GLN 119 Ca 0.17 -0.40 -0.06 0.00 -1.82 0.00 0.00 55.36 53.25 1oqd s GLN 119 Cb -0.11 0.27 0.00 0.00 -1.09 0.00 0.00 33.01 32.08 1oqd s GLN 119 CO 0.08 -0.17 0.06 -1.17 -1.32 0.00 0.00 175.29 172.76 1oqd s LEU 120 N -1.60 3.64 0.02 2.60 1.98 -1.26 -0.28 118.68 123.78 1oqd s LEU 120 Ca -0.11 -0.59 0.08 0.00 -2.89 0.00 0.00 54.13 50.61 1oqd s LEU 120 Cb -0.05 -1.86 -0.02 0.00 0.66 0.00 0.00 46.19 44.92 1oqd s LEU 120 CO 0.01 -0.14 -0.23 0.00 -1.89 0.00 0.00 176.35 174.10 1oqd s ALA 121 N 1.51 1.92 -0.27 5.97 0.00 0.78 -4.43 121.76 127.24 1oqd s ALA 121 Ca 0.04 -1.07 -0.03 0.00 0.00 0.00 0.00 51.96 50.89 1oqd s ALA 121 Cb -0.16 -0.43 0.02 0.00 0.00 0.00 0.00 23.12 22.55 1oqd s ALA 121 CO 0.02 0.45 -0.00 0.42 0.00 0.00 0.00 175.76 176.65 1oqd s ILE 122 N -0.69 3.28 0.00 0.00 1.01 -0.56 0.12 121.20 124.36 1oqd s ILE 122 Ca 0.09 -0.95 -0.03 0.00 0.00 0.00 0.00 60.65 59.75 1oqd s ILE 122 Cb -0.09 -2.70 -0.15 0.00 0.01 0.00 0.00 42.46 39.53 1oqd s ILE 122 CO 0.01 0.12 2.40 -2.65 0.00 0.00 0.00 174.94 174.81 1oqd n PRO 123 N 4.73 1.24 -3.91 2.79 -0.02 -1.26 -0.27 135.00 138.30 1oqd n PRO 123 Ca -0.15 -0.55 -0.12 0.00 -2.02 0.00 0.00 63.50 60.66 1oqd n PRO 123 Cb 0.47 -1.71 -0.14 0.00 -0.02 0.00 0.00 33.50 32.10 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 1.43 0.07 0.00 -0.52 3.00 -1.26 -4.97 118.95 116.70 1oqd s ARG 124 Ca 0.37 -0.09 0.00 0.00 0.00 0.00 0.00 55.73 56.01 1oqd s ARG 124 Cb 0.18 -0.02 0.00 0.00 0.00 0.00 0.00 34.95 35.11 1oqd s ARG 124 CO 0.00 0.00 0.84 0.39 0.00 0.00 0.00 175.30 176.53 1oqd n GLU 125 N 2.88 0.00 -3.17 3.54 -0.58 -1.24 -3.07 120.64 119.01 1oqd n GLU 125 Ca -0.14 0.84 -0.22 0.00 -0.42 0.00 0.00 57.16 57.22 1oqd n GLU 125 Cb 0.59 -1.28 -0.05 0.00 -0.57 0.00 0.00 31.44 30.14 1oqd n GLU 125 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 1oqd n ASN 126 N -2.67 1.53 -4.57 1.62 5.15 -1.26 -4.47 115.26 110.59 1oqd n ASN 126 Ca 0.00 -3.08 -0.51 0.00 -0.60 0.00 0.00 54.58 50.38 1oqd n ASN 126 Cb 0.00 -0.62 -0.05 0.00 -0.53 0.00 0.00 39.78 38.58 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 0.52 -1.24 -2.77 5.20 0.00 -1.24 -4.91 120.51 116.06 1oqd n ALA 127 Ca 0.25 0.50 -0.43 0.00 0.00 0.00 0.00 53.44 53.77 1oqd n ALA 127 Cb 0.56 -2.01 -0.04 0.00 0.00 0.00 0.00 19.45 17.96 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 0.07 3.19 0.13 0.00 -1.52 -1.26 -5.00 119.66 115.27 1oqd s GLN 128 Ca 0.80 -0.63 0.09 0.00 -1.95 0.00 0.00 55.36 53.67 1oqd s GLN 128 Cb -0.95 -4.16 -0.04 0.00 -0.22 0.00 0.00 33.01 27.65 1oqd s GLN 128 CO 0.50 -1.66 -0.21 0.42 -0.25 0.00 0.00 175.29 174.10 1oqd s ILE 129 N 3.93 1.85 0.13 1.08 1.09 -1.26 -1.16 121.20 126.86 1oqd s ILE 129 Ca 0.25 -1.73 -0.15 0.00 -1.10 0.00 0.00 60.65 57.91 1oqd s ILE 129 Cb -0.15 -1.74 -0.07 0.00 -1.06 0.00 0.00 42.46 39.44 1oqd s ILE 129 CO 0.14 -0.14 0.55 -0.55 -0.10 0.00 0.00 174.94 174.84 1oqd s SER 130 N -2.25 6.88 -0.28 3.58 0.15 -0.70 -4.89 113.70 116.20 1oqd s SER 130 Ca 0.11 1.12 0.10 0.00 0.70 0.00 0.00 55.95 57.98 1oqd s SER 130 Cb -0.08 -2.30 0.50 0.00 -1.71 0.00 0.00 66.02 62.42 1oqd s SER 130 CO 0.06 0.15 1.44 0.18 1.20 0.00 0.00 173.24 176.26 1oqd n LEU 131 N 1.04 3.97 -4.74 3.45 4.32 -1.26 -4.64 117.00 119.13 1oqd n LEU 131 Ca -0.07 -3.73 -0.40 0.00 -0.02 0.00 0.00 56.01 51.79 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 1.23 0.55 -1.81 -1.22 0.00 0.00 177.39 176.56 1oqd s ASP 132 N -2.56 7.33 0.19 -1.43 -0.00 -1.26 -3.10 116.67 115.84 1oqd s ASP 132 Ca 0.44 1.59 0.13 0.00 -0.00 0.00 0.00 52.55 54.71 1oqd s ASP 132 Cb 0.40 -2.52 0.70 0.00 -0.00 0.00 0.00 42.92 41.50 1oqd s ASP 132 CO -0.00 -0.02 1.39 0.61 -0.00 0.00 0.00 175.17 177.15 1oqd n GLY 133 N 2.33 -0.71 0.14 0.21 0.00 -1.26 -1.94 105.19 103.96 1oqd n GLY 133 Ca -0.00 0.12 0.11 0.00 0.00 0.00 0.00 46.02 46.24 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 -1.95 1.20 -0.02 1.61 5.75 -1.26 -4.47 116.55 117.40 1oqd n ASP 134 Ca -0.01 -1.03 -0.01 0.00 -0.01 0.00 0.00 54.79 53.73 1oqd n ASP 134 Cb 0.03 0.73 -0.05 0.00 -1.03 0.00 0.00 41.12 40.80 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 -1.08 0.32 -3.84 2.12 0.24 -0.82 -4.95 118.33 110.32 1oqd n VAL 135 Ca 0.06 -0.24 -0.29 0.00 -2.04 0.00 0.00 64.34 61.83 1oqd n VAL 135 Cb 0.37 -0.49 -0.16 0.00 -1.47 0.00 0.00 33.84 32.08 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 -2.25 1.02 0.18 3.34 -1.32 -1.04 -3.87 115.64 111.70 1oqd s THR 136 Ca -0.03 -0.84 -0.04 0.00 -1.21 0.00 0.00 61.69 59.56 1oqd s THR 136 Cb 0.03 -1.38 -0.03 0.00 -1.51 0.00 0.00 72.50 69.61 1oqd s THR 136 CO 0.27 -0.12 0.20 0.72 -2.21 0.00 0.00 174.62 173.49 1oqd s PHE 137 N 1.63 0.81 -0.10 9.09 -0.12 -0.38 -2.12 117.98 126.79 1oqd s PHE 137 Ca -0.03 -1.12 -0.08 0.00 -0.05 0.00 0.00 56.93 55.66 1oqd s PHE 137 Cb -0.18 -0.32 0.03 0.00 -0.63 0.00 0.00 43.02 41.92 1oqd s PHE 137 CO -0.07 -0.68 0.25 0.12 -0.05 0.00 0.00 175.22 174.79 1oqd s PHE 138 N -4.07 -0.30 0.12 3.49 5.36 -0.54 -1.14 117.98 120.90 1oqd s PHE 138 Ca 0.28 0.72 -0.25 0.00 -0.96 0.00 0.00 56.93 56.72 1oqd s PHE 138 Cb 0.05 0.09 0.07 0.00 -0.34 0.00 0.00 43.02 42.89 1oqd s PHE 138 CO 0.07 -0.16 0.80 0.20 -1.46 0.00 0.00 175.22 174.66 1oqd s GLY 139 N 0.44 -0.39 0.01 13.12 0.00 -0.30 0.10 107.32 120.30 1oqd s GLY 139 Ca -0.02 0.45 0.01 0.00 0.00 0.00 0.00 44.72 45.15 1oqd s GLY 139 CO -0.02 0.14 -0.03 0.00 0.00 0.00 0.00 173.10 173.19 1oqd s ALA 140 N -3.47 0.18 -0.05 3.20 0.00 -0.69 -1.16 121.76 119.77 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 0.03 0.02 0.00 0.00 0.00 0.00 23.12 23.15 1oqd s ALA 140 CO -0.05 -0.03 -0.06 -1.17 0.00 0.00 0.00 175.76 174.45 1oqd s LEU 141 N -0.64 1.40 0.00 0.00 0.20 0.17 -1.27 118.68 118.54 1oqd s LEU 141 Ca -0.06 -0.16 -0.27 0.00 0.69 0.00 0.00 54.13 54.33 1oqd s LEU 141 Cb -0.05 -0.52 -0.04 0.00 -0.43 0.00 0.00 46.19 45.16 1oqd s LEU 141 CO -0.00 -0.03 0.85 -0.75 -0.29 0.00 0.00 176.35 176.12 1oqd s LYS 142 N 0.84 4.53 0.28 1.98 2.20 0.12 -0.46 119.74 129.23 1oqd s LYS 142 Ca -0.12 1.18 -0.15 0.00 -0.36 0.00 0.00 55.97 56.52 1oqd s LYS 142 Cb -0.15 -3.43 -0.08 0.00 -1.51 0.00 0.00 37.83 32.66 1oqd s LYS 142 CO 0.01 0.09 0.70 -0.51 -0.36 0.00 0.00 175.35 175.28 1oqd s LEU 143 N 0.59 4.14 0.00 5.43 1.43 0.37 -4.31 118.68 126.33 1oqd s LEU 143 Ca 0.44 1.24 0.29 0.00 -1.03 0.00 0.00 54.13 55.07 1oqd s LEU 143 Cb -0.20 -3.89 1.74 0.00 0.03 0.00 0.00 46.19 43.86 1oqd s LEU 143 CO 0.24 -0.13 2.08 0.18 0.23 0.00 0.00 176.35 178.95