#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qoz s LEU 2 N 0.00 0.33 -0.02 -0.89 2.96 -1.26 -5.09 118.68 114.71 2qoz s LEU 2 Ca 0.00 0.44 -0.30 0.00 -0.22 0.00 0.00 54.13 54.05 2qoz s LEU 2 Cb 0.00 0.55 0.12 0.00 0.50 0.00 0.00 46.19 47.36 2qoz s LEU 2 CO 0.00 -0.18 1.24 0.00 -1.32 0.00 0.00 176.35 176.09 2qoz s GLN 3 N 1.55 0.47 1.02 1.98 -2.07 -1.26 -4.71 119.66 116.63 2qoz s GLN 3 Ca -0.06 -0.25 -0.13 0.00 -1.82 0.00 0.00 55.36 53.10 2qoz s GLN 3 Cb -0.11 0.16 0.14 0.00 -1.09 0.00 0.00 33.01 32.11 2qoz s GLN 3 CO -0.07 -0.21 0.69 -2.30 -1.32 0.00 0.00 175.29 172.07 2qoz n PRO 4 N -0.44 -1.06 -0.00 9.60 -0.02 -1.26 -4.97 135.00 136.84 2qoz n PRO 4 Ca -0.07 -0.27 0.04 0.00 -2.02 0.00 0.00 63.50 61.17 2qoz n PRO 4 Cb 0.62 -2.05 -0.05 0.00 -0.02 0.00 0.00 33.50 32.00 2qoz n PRO 4 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 2qoz n LYS 5 N -3.25 2.18 -2.79 -0.52 0.00 -1.26 -4.88 118.16 107.64 2qoz n LYS 5 Ca 0.06 -0.04 -0.06 0.00 0.00 0.00 0.00 58.31 58.27 2qoz n LYS 5 Cb 0.55 -1.02 0.01 0.00 0.00 0.00 0.00 35.03 34.57 2qoz n LYS 5 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 2qoz n ARG 6 N -1.49 0.59 -2.48 1.64 0.63 -1.26 -5.14 116.66 109.15 2qoz n ARG 6 Ca -0.00 -2.03 -0.37 0.00 -0.92 0.00 0.00 57.85 54.53 2qoz n ARG 6 Cb 0.15 -1.47 -0.04 0.00 0.45 0.00 0.00 32.46 31.56 2qoz n ARG 6 CO 0.00 0.00 0.00 0.95 -2.51 0.00 0.00 177.63 176.07 2qoz s THR 7 N 0.75 3.56 0.20 5.15 -4.23 -1.26 -4.95 115.64 114.87 2qoz s THR 7 Ca 0.31 1.26 -0.10 0.00 -1.18 0.00 0.00 61.69 61.97 2qoz s THR 7 Cb 0.07 -3.68 0.14 0.00 1.34 0.00 0.00 72.50 70.37 2qoz s THR 7 CO -0.11 0.07 1.85 0.50 -0.54 0.00 0.00 174.62 176.38 2qoz h LYS 8 N 2.67 0.99 -5.58 3.99 1.63 -2.01 -3.43 116.57 114.83 2qoz h LYS 8 Ca -0.48 -0.09 -0.49 0.00 -0.85 0.00 0.00 60.65 58.74 2qoz h LYS 8 Cb 1.22 -0.21 -0.25 0.00 -0.60 0.00 0.00 32.23 32.39 2qoz h LYS 8 CO 0.63 0.70 -0.81 -0.06 -3.45 0.00 0.00 179.45 176.45 2qoz s PHE 9 N -5.99 1.43 0.31 1.91 0.08 -1.26 -5.06 117.98 109.41 2qoz s PHE 9 Ca -0.13 -0.35 -0.01 0.00 0.12 0.00 0.00 56.93 56.56 2qoz s PHE 9 Cb 0.15 -0.85 0.49 0.00 -0.57 0.00 0.00 43.02 42.24 2qoz s PHE 9 CO 0.79 0.05 1.98 0.00 -0.10 0.00 0.00 175.22 177.94 2qoz h ARG 10 N 4.95 1.02 -5.12 0.44 2.47 -2.03 -3.46 114.38 112.65 2qoz h ARG 10 Ca -0.39 -0.06 -0.55 0.00 -1.26 0.00 0.00 59.98 57.71 2qoz h ARG 10 Cb 1.17 -0.23 -0.13 0.00 -1.65 0.00 0.00 29.97 29.13 2qoz h ARG 10 CO 0.44 0.68 -0.54 0.15 0.56 0.00 0.00 179.97 181.26 2qoz s LYS 11 N -5.88 1.89 0.10 0.04 1.02 -1.26 -4.84 119.74 110.82 2qoz s LYS 11 Ca -0.11 -2.14 -0.07 0.00 0.02 0.00 0.00 55.97 53.67 2qoz s LYS 11 Cb 0.18 -0.82 -0.01 0.00 -0.52 0.00 0.00 37.83 36.66 2qoz s LYS 11 CO 0.79 -0.38 0.17 -1.64 -0.92 0.00 0.00 175.35 173.37 2qoz s MET 12 N -3.78 0.89 0.82 1.68 -1.94 -1.26 -5.01 119.30 110.70 2qoz s MET 12 Ca 0.25 -1.07 -0.12 0.00 -1.71 0.00 0.00 55.69 53.04 2qoz s MET 12 Cb 0.04 0.33 0.08 0.00 2.01 0.00 0.00 34.83 37.29 2qoz s MET 12 CO 0.13 -0.28 1.11 -1.01 -0.01 0.00 0.00 175.02 174.96 2qoz s HIS 13 N -3.90 2.79 0.15 -0.03 3.76 -1.26 -4.85 115.29 111.94 2qoz s HIS 13 Ca 0.09 1.05 -0.26 0.00 -0.15 0.00 0.00 55.06 55.79 2qoz s HIS 13 Cb 0.05 -3.21 -0.00 0.00 1.11 0.00 0.00 32.58 30.53 2qoz s HIS 13 CO -0.08 -1.89 1.59 -0.22 -0.85 0.00 0.00 174.74 173.29 2qoz h LYS 14 N -1.17 -0.35 0.00 1.40 3.64 -2.04 -3.48 116.57 114.57 2qoz h LYS 14 Ca -0.48 0.02 0.06 0.00 -1.27 0.00 0.00 60.65 58.99 2qoz h LYS 14 Cb 1.29 0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 33.17 2qoz h LYS 14 CO 0.61 -0.23 -0.08 0.41 -2.27 0.00 0.00 179.45 177.88 2qoz n GLY 15 N -1.42 -1.82 3.62 5.01 0.00 -1.26 -5.05 105.19 104.28 2qoz n GLY 15 Ca -0.01 -1.30 -0.04 0.00 0.00 0.00 0.00 46.02 44.66 2qoz n GLY 15 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2qoz s ARG 16 N -0.57 0.21 0.18 1.61 1.70 -1.26 -5.18 118.95 115.64 2qoz s ARG 16 Ca 0.00 -0.01 -0.06 0.00 -0.47 0.00 0.00 55.73 55.20 2qoz s ARG 16 Cb 0.00 0.10 -0.06 0.00 -0.57 0.00 0.00 34.95 34.42 2qoz s ARG 16 CO 0.00 -0.08 0.44 -0.80 -1.08 0.00 0.00 175.30 173.78 2qoz s ASN 17 N -1.48 6.51 -0.08 -2.89 0.02 -1.26 -5.01 114.94 110.76 2qoz s ASN 17 Ca 0.08 0.67 0.12 0.00 -1.02 0.00 0.00 52.86 52.71 2qoz s ASN 17 Cb -0.01 -2.12 0.18 0.00 0.02 0.00 0.00 41.25 39.31 2qoz s ASN 17 CO -0.05 -0.01 1.08 0.54 0.02 0.00 0.00 177.10 178.68 2qoz n ARG 18 N -0.11 0.95 -0.80 -0.60 5.12 -1.26 -5.13 116.66 114.84 2qoz n ARG 18 Ca -0.02 -1.98 0.10 0.00 -1.93 0.00 0.00 57.85 54.03 2qoz n ARG 18 Cb 0.52 -1.14 -0.04 0.00 -1.16 0.00 0.00 32.46 30.64 2qoz n ARG 18 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2qoz n GLY 19 N -0.91 -2.39 2.46 -0.13 0.00 -1.26 -5.03 105.19 97.92 2qoz n GLY 19 Ca 0.10 -1.27 -0.02 0.00 0.00 0.00 0.00 46.02 44.83 2qoz n GLY 19 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2qoz n LEU 20 N -3.49 -4.96 0.00 0.99 7.99 -0.96 -4.81 117.00 111.76 2qoz n LEU 20 Ca -0.02 2.11 0.00 0.00 -0.01 0.00 0.00 56.01 58.08 2qoz n LEU 20 Cb 0.37 -2.70 0.00 0.00 -0.11 0.00 0.00 43.42 40.98 2qoz n LEU 20 CO 0.02 -2.98 0.00 0.00 -1.51 0.00 0.00 177.39 172.92 2qoz n ALA 21 N 1.95 0.00 0.07 -1.18 0.00 -1.05 -4.93 120.51 115.36 2qoz n ALA 21 Ca -0.12 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.36 2qoz n ALA 21 Cb 0.19 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.57 2qoz n ALA 21 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2qoz n GLN 22 N 0.00 1.01 -1.00 0.00 1.13 -1.26 -4.67 117.38 112.58 2qoz n GLN 22 Ca 0.00 -0.06 -0.22 0.00 -1.94 0.00 0.00 57.00 54.78 2qoz n GLN 22 Cb 0.00 -1.14 -0.09 0.00 0.11 0.00 0.00 30.24 29.12 2qoz n GLN 22 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2qoz n GLY 23 N 1.86 3.32 0.33 1.08 0.00 -1.26 -4.65 105.19 105.88 2qoz n GLY 23 Ca -0.01 -1.18 0.25 0.00 0.00 0.00 0.00 46.02 45.08 2qoz n GLY 23 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2qoz h THR 24 N 2.63 0.02 -3.31 2.61 2.02 -1.83 -2.98 112.91 112.08 2qoz h THR 24 Ca 0.46 -0.01 -0.03 0.00 0.77 0.00 0.00 66.41 67.61 2qoz h THR 24 Cb 0.78 0.00 -0.05 0.00 -1.74 0.00 0.00 68.15 67.15 2qoz h THR 24 CO 0.97 0.00 0.10 1.51 0.37 0.00 0.00 175.52 178.48 2qoz s ASP 25 N -4.73 0.00 1.08 4.18 3.84 -1.26 -4.86 116.67 114.92 2qoz s ASP 25 Ca -0.11 -0.95 -0.13 0.00 -0.00 0.00 0.00 52.55 51.36 2qoz s ASP 25 Cb 0.32 0.72 0.19 0.00 -1.38 0.00 0.00 42.92 42.76 2qoz s ASP 25 CO 0.78 -1.38 0.73 1.33 -0.00 0.00 0.00 175.17 176.63 2qoz n VAL 26 N -0.47 0.00 -2.18 2.11 0.24 -1.26 -4.94 118.33 111.83 2qoz n VAL 26 Ca -0.04 -0.29 -0.01 0.00 -2.04 0.00 0.00 64.34 61.97 2qoz n VAL 26 Cb 0.60 -0.86 0.01 0.00 -1.47 0.00 0.00 33.84 32.13 2qoz n VAL 26 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 2qoz n SER 27 N -3.58 -0.25 0.00 -1.34 7.64 -1.26 -4.98 113.62 109.85 2qoz n SER 27 Ca 0.05 -0.92 0.00 0.00 1.01 0.00 0.00 58.87 59.01 2qoz n SER 27 Cb 0.55 0.11 0.00 0.00 -1.01 0.00 0.00 64.21 63.86 2qoz n SER 27 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 2qoz n PHE 28 N -0.19 0.00 0.00 1.43 3.72 -1.26 -5.11 117.46 116.05 2qoz n PHE 28 Ca -0.04 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.36 2qoz n PHE 28 Cb 0.49 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.03 2qoz n PHE 28 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2qoz n GLY 29 N 0.00 1.76 0.00 1.37 0.00 -1.26 -4.92 105.19 102.14 2qoz n GLY 29 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.92 2qoz n GLY 29 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2qoz n SER 30 N 0.00 0.00 0.00 1.61 3.41 0.02 -4.84 113.62 113.82 2qoz n SER 30 Ca 0.00 -0.02 0.00 0.00 -0.26 0.00 0.00 58.87 58.59 2qoz n SER 30 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 2qoz n SER 30 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 2qoz n PHE 31 N 0.00 0.00 0.00 7.33 0.99 -1.00 -0.10 117.46 124.68 2qoz n PHE 31 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.45 2qoz n PHE 31 Cb 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 38.49 2qoz n PHE 31 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 2qoz n GLY 32 N 1.23 3.00 3.93 1.37 0.00 -1.26 -3.68 105.19 109.78 2qoz n GLY 32 Ca 0.00 -2.01 -0.26 0.00 0.00 0.00 0.00 46.02 43.76 2qoz n GLY 32 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qoz s LEU 33 N 0.00 3.15 0.12 0.99 1.43 -1.14 -2.36 118.68 120.87 2qoz s LEU 33 Ca 0.00 0.54 0.03 0.00 -1.03 0.00 0.00 54.13 53.67 2qoz s LEU 33 Cb 0.00 -3.33 -0.04 0.00 0.03 0.00 0.00 46.19 42.85 2qoz s LEU 33 CO 0.00 -1.19 -0.08 -0.75 0.23 0.00 0.00 176.35 174.56 2qoz s LYS 34 N -5.00 0.92 0.00 1.70 2.47 -0.83 -2.33 119.74 116.66 2qoz s LYS 34 Ca 0.55 -1.38 0.00 0.00 -1.56 0.00 0.00 55.97 53.59 2qoz s LYS 34 Cb -0.11 -0.36 0.00 0.00 -1.46 0.00 0.00 37.83 35.91 2qoz s LYS 34 CO 0.44 0.02 0.87 0.00 0.16 0.00 0.00 175.35 176.83 2qoz n ALA 35 N -0.10 -0.38 -0.04 3.13 0.00 0.19 -3.19 120.51 120.13 2qoz n ALA 35 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.33 2qoz n ALA 35 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.06 2qoz n ALA 35 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2qoz n VAL 36 N -1.67 0.00 -2.25 0.00 0.31 -1.26 -3.98 118.33 109.48 2qoz n VAL 36 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2qoz n VAL 36 Cb 0.00 -0.01 0.00 0.00 -0.91 0.00 0.00 33.84 32.92 2qoz n VAL 36 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2qoz n GLY 37 N -2.00 3.61 0.00 2.92 0.00 -1.26 -4.90 105.19 103.56 2qoz n GLY 37 Ca 0.00 -0.93 0.00 0.00 0.00 0.00 0.00 46.02 45.09 2qoz n GLY 37 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qoz n ARG 38 N 0.00 1.97 0.00 1.61 1.74 -1.26 -0.13 116.66 120.59 2qoz n ARG 38 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 2qoz n ARG 38 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 2qoz n ARG 38 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2qoz n GLY 39 N 5.00 -0.62 3.00 -0.13 0.00 -1.15 -4.71 105.19 106.58 2qoz n GLY 39 Ca 0.00 -2.23 -0.11 0.00 0.00 0.00 0.00 46.02 43.67 2qoz n GLY 39 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2qoz s ARG 40 N -0.34 0.38 -0.29 1.61 1.70 -1.26 -1.06 118.95 119.69 2qoz s ARG 40 Ca 0.00 -0.59 -0.08 0.00 -0.47 0.00 0.00 55.73 54.59 2qoz s ARG 40 Cb 0.00 -0.09 -0.01 0.00 -0.57 0.00 0.00 34.95 34.29 2qoz s ARG 40 CO 0.00 0.00 0.11 -0.51 -1.08 0.00 0.00 175.30 173.82 2qoz s LEU 41 N -1.29 3.86 0.00 -1.89 1.43 0.16 -4.76 118.68 116.19 2qoz s LEU 41 Ca -0.11 -0.51 0.00 0.00 -1.03 0.00 0.00 54.13 52.47 2qoz s LEU 41 Cb -0.09 -1.94 0.00 0.00 0.03 0.00 0.00 46.19 44.19 2qoz s LEU 41 CO -0.00 -0.16 0.87 0.35 0.23 0.00 0.00 176.35 177.64 2qoz n THR 42 N 4.93 0.87 0.00 5.49 -2.24 -1.26 0.17 114.28 122.23 2qoz n THR 42 Ca -0.15 -0.10 0.00 0.00 -2.27 0.00 0.00 64.05 61.53 2qoz n THR 42 Cb 0.49 -0.99 0.00 0.00 -2.10 0.00 0.00 70.33 67.74 2qoz n THR 42 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2qoz n ALA 43 N 0.97 0.00 -0.41 6.98 0.00 -1.20 -4.05 120.51 122.81 2qoz n ALA 43 Ca 0.00 0.00 0.40 0.00 0.00 0.00 0.00 53.44 53.84 2qoz n ALA 43 Cb 0.33 0.00 0.75 0.00 0.00 0.00 0.00 19.45 20.53 2qoz n ALA 43 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 2qoz h ARG 44 N 0.00 0.00 0.03 0.00 2.43 -1.88 1.02 114.38 115.98 2qoz h ARG 44 Ca 0.00 0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 59.09 2qoz h ARG 44 Cb 0.00 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 29.56 2qoz h ARG 44 CO 0.00 0.00 -0.32 1.96 -1.51 0.00 0.00 179.97 180.10 2qoz h GLN 45 N 0.00 0.17 0.00 0.20 4.20 -1.92 0.25 115.11 118.00 2qoz h GLN 45 Ca 0.65 -0.22 -0.02 0.00 0.06 0.00 0.00 58.65 59.13 2qoz h GLN 45 Cb 2.73 0.07 -0.00 0.00 0.30 0.00 0.00 27.48 30.58 2qoz h GLN 45 CO -0.01 1.01 -0.08 -0.84 -0.67 0.00 0.00 178.83 178.24 2qoz h ILE 46 N -0.57 0.72 0.09 2.54 -0.00 0.45 0.32 117.51 121.05 2qoz h ILE 46 Ca -0.05 -0.31 -0.31 0.00 -0.00 0.00 0.00 64.86 64.19 2qoz h ILE 46 Cb 1.15 1.19 -0.02 0.00 -0.00 0.00 0.00 36.82 39.13 2qoz h ILE 46 CO 0.06 0.08 -1.63 -0.33 -0.00 0.00 0.00 178.15 176.33 2qoz h GLU 47 N 0.00 0.19 0.00 0.16 4.39 0.00 -2.61 114.58 116.70 2qoz h GLU 47 Ca -0.00 -0.32 -0.03 0.00 0.34 0.00 0.00 59.36 59.35 2qoz h GLU 47 Cb 0.18 0.12 -0.00 0.00 -0.10 0.00 0.00 28.75 28.94 2qoz h GLU 47 CO 0.01 0.99 -0.15 0.00 -1.16 0.00 0.00 179.01 178.70 2qoz h ALA 48 N 0.55 1.44 0.00 3.43 0.00 0.63 -0.52 119.26 124.79 2qoz h ALA 48 Ca -0.28 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.49 2qoz h ALA 48 Cb 2.01 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.77 2qoz h ALA 48 CO 0.13 0.19 -0.07 0.00 0.00 0.00 0.00 179.25 179.50 2qoz h ALA 49 N 1.85 0.01 -0.33 0.00 0.00 -1.04 -3.30 119.26 116.44 2qoz h ALA 49 Ca -0.00 -0.17 0.07 0.00 0.00 0.00 0.00 54.91 54.81 2qoz h ALA 49 Cb 0.33 0.05 -0.08 0.00 0.00 0.00 0.00 17.79 18.10 2qoz h ALA 49 CO 0.02 0.05 -0.31 -0.09 0.00 0.00 0.00 179.25 178.92 2qoz h ARG 50 N -1.00 -0.26 -1.28 0.00 2.43 -1.36 0.85 114.38 113.76 2qoz h ARG 50 Ca -0.01 0.02 0.37 0.00 -0.81 0.00 0.00 59.98 59.55 2qoz h ARG 50 Cb 0.29 0.06 -0.07 0.00 -0.42 0.00 0.00 29.97 29.82 2qoz h ARG 50 CO -0.01 -0.18 0.89 0.00 -1.51 0.00 0.00 179.97 179.17 2qoz h ARG 51 N -0.27 0.09 0.08 0.20 3.08 -1.26 0.18 114.38 116.48 2qoz h ARG 51 Ca 0.16 -0.01 -0.34 0.00 0.07 0.00 0.00 59.98 59.86 2qoz h ARG 51 Cb 0.53 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.53 2qoz h ARG 51 CO -0.48 0.06 -1.87 0.00 -1.07 0.00 0.00 179.97 176.60 2qoz n ALA 52 N -2.70 0.91 -0.10 0.04 0.00 0.28 -3.45 120.51 115.49 2qoz n ALA 52 Ca 0.30 -0.62 -0.08 0.00 0.00 0.00 0.00 53.44 53.04 2qoz n ALA 52 Cb 1.30 -0.58 -0.02 0.00 0.00 0.00 0.00 19.45 20.15 2qoz n ALA 52 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.50 179.48 2qoz h MET 53 N -0.24 -0.27 0.11 0.00 -1.53 0.31 -1.88 114.93 111.44 2qoz h MET 53 Ca -0.43 0.02 -0.01 0.00 -3.44 0.00 0.00 59.70 55.85 2qoz h MET 53 Cb 1.83 0.06 0.00 0.00 -0.55 0.00 0.00 31.60 32.94 2qoz h MET 53 CO -0.02 -0.18 -0.05 1.15 0.14 0.00 0.00 176.91 177.95 2qoz h THR 54 N -0.28 0.90 0.00 -0.77 2.02 -0.97 -3.09 112.91 110.73 2qoz h THR 54 Ca 0.16 -0.05 -0.32 0.00 0.77 0.00 0.00 66.41 66.96 2qoz h THR 54 Cb 0.54 0.94 0.00 0.00 -1.74 0.00 0.00 68.15 67.89 2qoz h THR 54 CO -0.51 0.01 2.05 -1.14 0.37 0.00 0.00 175.52 176.30 2qoz n ARG 55 N -5.14 1.92 0.00 6.66 0.63 -0.71 -1.48 116.66 118.54 2qoz n ARG 55 Ca -0.08 -1.28 0.00 0.00 -0.92 0.00 0.00 57.85 55.57 2qoz n ARG 55 Cb 0.10 -2.31 0.00 0.00 0.45 0.00 0.00 32.46 30.70 2qoz n ARG 55 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2qoz n ALA 56 N 3.84 0.00 1.04 5.13 0.00 -1.18 -4.86 120.51 124.48 2qoz n ALA 56 Ca 0.41 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.87 2qoz n ALA 56 Cb 0.22 0.00 0.08 0.00 0.00 0.00 0.00 19.45 19.75 2qoz n ALA 56 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2qoz n VAL 57 N -0.88 0.40 0.00 0.00 0.31 -0.55 -4.90 118.33 112.70 2qoz n VAL 57 Ca 0.00 -0.25 0.00 0.00 -0.01 0.00 0.00 64.34 64.08 2qoz n VAL 57 Cb 0.00 -0.20 0.00 0.00 -0.91 0.00 0.00 33.84 32.73 2qoz n VAL 57 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 2qoz n LYS 58 N 0.04 0.00 0.00 5.55 4.01 -1.22 -2.43 118.16 124.11 2qoz n LYS 58 Ca 0.05 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.85 2qoz n LYS 58 Cb 0.30 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.82 2qoz n LYS 58 CO 0.00 0.00 0.00 2.89 -1.11 0.00 0.00 177.40 179.18 2qoz n ARG 59 N 0.00 0.00 -0.82 1.97 0.00 -1.26 -4.90 116.66 111.65 2qoz n ARG 59 Ca 0.00 0.00 -0.33 0.00 -0.00 0.00 0.00 57.85 57.52 2qoz n ARG 59 Cb 0.00 0.00 0.11 0.00 -0.00 0.00 0.00 32.46 32.57 2qoz n ARG 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2qoz n GLN 60 N -0.70 -0.36 -0.53 2.89 10.64 -1.02 -4.82 117.38 123.48 2qoz n GLN 60 Ca 0.00 -0.07 0.07 0.00 -1.83 0.00 0.00 57.00 55.16 2qoz n GLN 60 Cb 0.00 -1.69 -0.03 0.00 -0.86 0.00 0.00 30.24 27.66 2qoz n GLN 60 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2qoz n GLY 61 N 1.89 -2.23 3.00 2.61 0.00 -0.23 -4.89 105.19 105.35 2qoz n GLY 61 Ca 0.05 -1.35 -0.26 0.00 0.00 0.00 0.00 46.02 44.45 2qoz n GLY 61 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2qoz s LYS 62 N -2.50 1.79 0.58 1.61 2.20 -1.26 -4.82 119.74 117.34 2qoz s LYS 62 Ca 0.00 -0.41 -0.05 0.00 -0.36 0.00 0.00 55.97 55.16 2qoz s LYS 62 Cb 0.00 -1.58 0.02 0.00 -1.51 0.00 0.00 37.83 34.75 2qoz s LYS 62 CO 0.00 -0.08 0.88 0.96 -0.36 0.00 0.00 175.35 176.75 2qoz s ILE 63 N 1.04 3.45 -0.02 5.43 -5.25 -1.26 -3.65 121.20 120.94 2qoz s ILE 63 Ca -0.07 -0.14 -0.06 0.00 -0.99 0.00 0.00 60.65 59.38 2qoz s ILE 63 Cb -0.15 -3.37 0.01 0.00 2.95 0.00 0.00 42.46 41.90 2qoz s ILE 63 CO -0.01 -0.36 0.14 0.26 -1.79 0.00 0.00 174.94 173.18 2qoz s TRP 64 N -2.95 -0.03 -0.36 1.37 0.51 0.19 -4.91 118.94 112.76 2qoz s TRP 64 Ca 0.54 0.05 0.01 0.00 -2.12 0.00 0.00 56.10 54.58 2qoz s TRP 64 Cb -0.10 -0.01 0.11 0.00 -0.81 0.00 0.00 33.47 32.65 2qoz s TRP 64 CO 0.44 -0.21 0.14 0.42 -0.51 0.00 0.00 176.95 177.23 2qoz s ILE 65 N -0.87 1.26 -0.98 2.03 1.01 -1.26 -2.09 121.20 120.29 2qoz s ILE 65 Ca -0.10 -1.95 0.28 0.00 0.00 0.00 0.00 60.65 58.88 2qoz s ILE 65 Cb -0.05 -1.92 0.24 0.00 0.01 0.00 0.00 42.46 40.73 2qoz s ILE 65 CO 0.01 -0.75 1.90 0.54 0.00 0.00 0.00 174.94 176.64 2qoz n ARG 66 N 4.29 0.01 -3.96 2.79 5.12 -0.87 -4.82 116.66 119.21 2qoz n ARG 66 Ca 0.03 0.02 -0.31 0.00 -1.93 0.00 0.00 57.85 55.66 2qoz n ARG 66 Cb 0.39 -1.52 -0.05 0.00 -1.16 0.00 0.00 32.46 30.13 2qoz n ARG 66 CO 0.00 0.00 0.00 0.14 -1.93 0.00 0.00 177.63 175.84 2qoz s VAL 67 N -3.01 5.11 -0.10 1.55 -7.23 -1.24 -5.00 120.40 110.49 2qoz s VAL 67 Ca 0.13 -0.49 -0.11 0.00 -1.81 0.00 0.00 61.98 59.70 2qoz s VAL 67 Cb 0.18 -3.47 0.03 0.00 0.56 0.00 0.00 36.38 33.68 2qoz s VAL 67 CO 0.52 0.15 0.30 0.12 -0.31 0.00 0.00 175.10 175.88 2qoz s PHE 68 N -1.45 -0.30 0.00 2.82 5.36 -1.26 -5.13 117.98 118.02 2qoz s PHE 68 Ca 0.32 0.71 0.00 0.00 -0.96 0.00 0.00 56.93 57.00 2qoz s PHE 68 Cb -0.13 0.11 0.00 0.00 -0.34 0.00 0.00 43.02 42.66 2qoz s PHE 68 CO 0.25 -0.20 0.00 -0.35 -1.46 0.00 0.00 175.22 173.46 2qoz n PRO 69 N 2.63 0.00 0.00 10.12 -0.04 -1.26 -4.54 135.00 141.90 2qoz n PRO 69 Ca -0.14 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.32 2qoz n PRO 69 Cb 0.58 -0.31 0.00 0.00 -0.04 0.00 0.00 33.50 33.73 2qoz n PRO 69 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 2qoz n ASP 70 N 0.00 0.00 -4.67 3.54 5.68 -1.24 -4.36 116.55 115.50 2qoz n ASP 70 Ca 0.00 0.00 -0.43 0.00 -0.50 0.00 0.00 54.79 53.86 2qoz n ASP 70 Cb 0.00 -0.05 -0.02 0.00 -1.14 0.00 0.00 41.12 39.91 2qoz n ASP 70 CO 0.00 0.00 0.00 -0.75 -1.33 0.00 0.00 177.20 175.12 2qoz s LYS 71 N 0.00 4.29 0.00 0.11 2.47 -0.93 -4.92 119.74 120.76 2qoz s LYS 71 Ca 0.00 1.65 0.00 0.00 -1.56 0.00 0.00 55.97 56.06 2qoz s LYS 71 Cb 0.00 -3.66 0.00 0.00 -1.46 0.00 0.00 37.83 32.71 2qoz s LYS 71 CO 0.00 -0.58 0.50 -2.30 0.16 0.00 0.00 175.35 173.13 2qoz n PRO 72 N 5.94 0.00 -2.21 4.03 -0.02 -1.26 -0.76 135.00 140.72 2qoz n PRO 72 Ca 0.12 0.11 -0.00 0.00 -2.02 0.00 0.00 63.50 61.71 2qoz n PRO 72 Cb 0.46 -1.00 0.00 0.00 -0.02 0.00 0.00 33.50 32.93 2qoz n PRO 72 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 2qoz n ILE 73 N -0.62 -7.90 -3.20 4.25 2.08 -1.26 -3.73 119.36 108.98 2qoz n ILE 73 Ca 0.00 1.09 -0.23 0.00 0.56 0.00 0.00 62.75 64.16 2qoz n ILE 73 Cb 0.00 -5.72 -0.00 0.00 -0.75 0.00 0.00 39.64 33.16 2qoz n ILE 73 CO 0.00 0.00 0.00 0.42 0.56 0.00 0.00 176.55 177.53 2qoz s THR 74 N -0.96 4.65 0.42 1.39 -4.23 -1.26 -3.19 115.64 112.47 2qoz s THR 74 Ca 0.00 -0.46 0.03 0.00 -1.18 0.00 0.00 61.69 60.08 2qoz s THR 74 Cb -0.00 -3.71 -0.04 0.00 1.34 0.00 0.00 72.50 70.10 2qoz s THR 74 CO 0.46 -0.48 0.06 -1.61 -0.54 0.00 0.00 174.62 172.51 2qoz s GLU 75 N -4.42 1.94 0.28 3.99 2.02 -1.11 -4.82 118.70 116.59 2qoz s GLU 75 Ca 0.44 -2.17 0.10 0.00 0.02 0.00 0.00 54.97 53.35 2qoz s GLU 75 Cb -0.10 -1.05 -0.05 0.00 0.10 0.00 0.00 34.13 33.02 2qoz s GLU 75 CO 0.37 -0.33 -0.15 0.15 0.02 0.00 0.00 175.26 175.32 2qoz s LYS 76 N -3.80 1.63 1.06 1.61 1.02 -1.26 -3.72 119.74 116.28 2qoz s LYS 76 Ca 0.23 -1.77 -0.22 0.00 0.02 0.00 0.00 55.97 54.23 2qoz s LYS 76 Cb 0.05 -1.57 -0.02 0.00 -0.52 0.00 0.00 37.83 35.77 2qoz s LYS 76 CO 0.12 0.23 -0.57 -2.30 -0.92 0.00 0.00 175.35 171.92 2qoz n PRO 77 N -0.61 -0.88 -0.01 -1.68 -0.02 -1.26 -4.83 135.00 125.71 2qoz n PRO 77 Ca -0.06 -0.25 0.05 0.00 -2.02 0.00 0.00 63.50 61.23 2qoz n PRO 77 Cb 0.61 -1.43 0.26 0.00 -0.02 0.00 0.00 33.50 32.92 2qoz n PRO 77 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2qoz n LEU 78 N 0.43 0.16 -2.63 2.45 4.32 -1.26 -4.12 117.00 116.34 2qoz n LEU 78 Ca -0.00 -0.07 -0.03 0.00 -0.02 0.00 0.00 56.01 55.88 2qoz n LEU 78 Cb 0.66 -0.02 -0.03 0.00 -1.62 0.00 0.00 43.42 42.42 2qoz n LEU 78 CO 0.49 0.04 0.63 0.00 -1.22 0.00 0.00 177.39 177.33 2qoz n ALA 79 N -0.54 -2.63 -2.90 -1.18 0.00 -1.26 -5.16 120.51 106.85 2qoz n ALA 79 Ca 0.07 -0.36 -0.32 0.00 0.00 0.00 0.00 53.44 52.83 2qoz n ALA 79 Cb 0.06 -1.02 -0.04 0.00 0.00 0.00 0.00 19.45 18.44 2qoz n ALA 79 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2qoz s VAL 80 N 0.02 5.40 0.02 0.00 0.11 -1.26 -5.06 120.40 119.63 2qoz s VAL 80 Ca 0.02 -0.23 -0.30 0.00 -2.93 0.00 0.00 61.98 58.54 2qoz s VAL 80 Cb 0.03 -3.58 -0.06 0.00 -1.53 0.00 0.00 36.38 31.25 2qoz s VAL 80 CO -0.01 0.24 1.33 -0.60 -3.33 0.00 0.00 175.10 172.74 2qoz s ARG 81 N -2.18 4.33 0.24 1.54 6.06 -1.26 -4.93 118.95 122.74 2qoz s ARG 81 Ca 0.31 1.90 -0.25 0.00 -2.50 0.00 0.00 55.73 55.19 2qoz s ARG 81 Cb -0.13 -3.47 -0.16 0.00 0.06 0.00 0.00 34.95 31.25 2qoz s ARG 81 CO 0.22 -0.47 0.40 -1.33 -2.50 0.00 0.00 175.30 171.62 2qoz n MET 82 N 4.81 0.00 -2.12 5.12 2.81 -1.26 -4.36 117.12 122.13 2qoz n MET 82 Ca 0.12 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.01 2qoz n MET 82 Cb 0.44 -0.95 0.00 0.00 -0.71 0.00 0.00 33.22 32.00 2qoz n MET 82 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2qoz n GLY 83 N 1.98 -3.81 0.00 3.03 0.00 -1.26 -5.00 105.19 100.13 2qoz n GLY 83 Ca 0.16 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.16 2qoz n GLY 83 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2qoz n LYS 84 N 1.88 0.00 0.00 1.61 4.76 -1.26 -5.12 118.16 120.03 2qoz n LYS 84 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 2qoz n LYS 84 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 2qoz n LYS 84 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2qoz n GLY 85 N 0.00 3.70 2.74 0.72 0.00 -1.26 -5.09 105.19 106.00 2qoz n GLY 85 Ca 0.00 -0.59 -0.43 0.00 0.00 0.00 0.00 46.02 44.99 2qoz n GLY 85 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2qoz n LYS 86 N 0.00 0.00 -1.24 1.61 4.81 -1.26 -4.87 118.16 117.21 2qoz n LYS 86 Ca 0.00 0.00 -0.30 0.00 -0.87 0.00 0.00 58.31 57.14 2qoz n LYS 86 Cb 0.00 -1.04 0.13 0.00 0.02 0.00 0.00 35.03 34.14 2qoz n LYS 86 CO 0.00 0.00 0.00 0.20 1.17 0.00 0.00 177.40 178.77 2qoz s GLY 87 N -0.31 1.63 0.53 3.14 0.00 -1.26 -5.01 107.32 106.03 2qoz s GLY 87 Ca 0.64 -0.02 -0.19 0.00 0.00 0.00 0.00 44.72 45.14 2qoz s GLY 87 CO 0.45 0.44 1.08 0.54 0.00 0.00 0.00 173.10 175.61 2qoz s ASN 88 N -3.45 5.97 0.20 1.64 2.20 -1.24 -4.63 114.94 115.62 2qoz s ASN 88 Ca 0.63 2.03 -0.33 0.00 -0.94 0.00 0.00 52.86 54.25 2qoz s ASN 88 Cb -0.18 -2.57 -0.13 0.00 -2.00 0.00 0.00 41.25 36.38 2qoz s ASN 88 CO 0.57 -1.04 1.66 1.33 -2.94 0.00 0.00 177.10 176.68 2qoz n VAL 89 N -1.27 0.07 -0.11 3.54 0.24 -1.26 -2.73 118.33 116.81 2qoz n VAL 89 Ca 0.10 -0.02 -0.23 0.00 -2.04 0.00 0.00 64.34 62.16 2qoz n VAL 89 Cb 0.52 -1.83 -0.09 0.00 -1.47 0.00 0.00 33.84 30.97 2qoz n VAL 89 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 2qoz n GLU 90 N 3.66 0.56 0.00 7.34 4.07 -1.19 -4.86 120.64 130.22 2qoz n GLU 90 Ca 0.16 0.42 0.00 0.00 -0.06 0.00 0.00 57.16 57.68 2qoz n GLU 90 Cb 0.33 -1.62 0.00 0.00 -0.06 0.00 0.00 31.44 30.09 2qoz n GLU 90 CO 0.00 0.00 0.00 2.48 -0.06 0.00 0.00 177.13 179.55 2qoz n TYR 91 N -4.38 0.00 -3.57 4.31 4.11 -1.24 -5.06 117.16 111.33 2qoz n TYR 91 Ca -0.38 0.00 -0.24 0.00 -0.00 0.00 0.00 57.90 57.28 2qoz n TYR 91 Cb 0.72 0.00 -0.16 0.00 -0.00 0.00 0.00 39.34 39.90 2qoz n TYR 91 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.86 175.28 2qoz s TRP 92 N -0.57 0.05 0.59 -3.48 0.52 -1.24 -4.44 118.94 110.38 2qoz s TRP 92 Ca 0.00 -0.19 0.01 0.00 0.02 0.00 0.00 56.10 55.94 2qoz s TRP 92 Cb 0.00 -0.60 0.06 0.00 -1.15 0.00 0.00 33.47 31.77 2qoz s TRP 92 CO 0.00 -0.56 0.83 0.54 0.02 0.00 0.00 176.95 177.78 2qoz s VAL 93 N 2.19 2.52 -0.31 4.03 0.11 0.06 -3.21 120.40 125.80 2qoz s VAL 93 Ca 0.04 -0.65 -0.01 0.00 -2.93 0.00 0.00 61.98 58.42 2qoz s VAL 93 Cb -0.16 -2.87 0.10 0.00 -1.53 0.00 0.00 36.38 31.92 2qoz s VAL 93 CO -0.12 0.00 0.11 0.00 -3.33 0.00 0.00 175.10 171.76 2qoz s ALA 94 N -2.85 1.33 -0.08 1.54 0.00 0.44 -2.18 121.76 119.95 2qoz s ALA 94 Ca 0.60 -1.56 -0.31 0.00 0.00 0.00 0.00 51.96 50.68 2qoz s ALA 94 Cb -0.09 -1.57 -0.09 0.00 0.00 0.00 0.00 23.12 21.36 2qoz s ALA 94 CO 0.40 -1.67 2.01 1.28 0.00 0.00 0.00 175.76 177.77 2qoz n LEU 95 N 4.91 3.62 -4.24 0.00 4.32 -1.26 -0.66 117.00 123.67 2qoz n LEU 95 Ca -0.03 0.75 -0.24 0.00 -0.02 0.00 0.00 56.01 56.48 2qoz n LEU 95 Cb 0.42 -1.46 -0.13 0.00 -1.62 0.00 0.00 43.42 40.62 2qoz n LEU 95 CO 0.10 -0.12 -0.51 0.27 -1.22 0.00 0.00 177.39 175.91 2qoz s ILE 96 N 5.32 1.57 0.23 -0.08 -5.25 -0.22 -4.95 121.20 117.82 2qoz s ILE 96 Ca 0.94 -1.31 0.02 0.00 -0.99 0.00 0.00 60.65 59.31 2qoz s ILE 96 Cb -0.53 -1.41 -0.05 0.00 2.95 0.00 0.00 42.46 43.42 2qoz s ILE 96 CO 0.44 0.05 0.03 0.00 -1.79 0.00 0.00 174.94 173.67 2qoz s GLN 97 N -1.49 1.33 0.28 0.37 0.00 -1.26 -2.92 119.66 115.96 2qoz s GLN 97 Ca 0.06 -1.68 -0.26 0.00 -0.00 0.00 0.00 55.36 53.47 2qoz s GLN 97 Cb -0.09 -0.45 -0.16 0.00 0.00 0.00 0.00 33.01 32.31 2qoz s GLN 97 CO 0.03 -0.17 0.50 -2.30 0.00 0.00 0.00 175.29 173.35 2qoz n PRO 98 N -0.41 0.25 -2.79 9.60 -0.02 0.82 -3.48 135.00 138.97 2qoz n PRO 98 Ca -0.04 0.09 -0.06 0.00 -2.02 0.00 0.00 63.50 61.47 2qoz n PRO 98 Cb 0.65 -1.18 0.03 0.00 -0.02 0.00 0.00 33.50 32.98 2qoz n PRO 98 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2qoz n GLY 99 N 1.94 -0.85 2.96 -1.23 0.00 -1.26 -2.25 105.19 104.49 2qoz n GLY 99 Ca 0.15 0.36 -0.20 0.00 0.00 0.00 0.00 46.02 46.33 2qoz n GLY 99 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2qoz s LYS 100 N -3.59 0.86 -0.64 1.61 2.36 -1.23 -3.39 119.74 115.73 2qoz s LYS 100 Ca 0.19 -0.22 -0.26 0.00 -2.55 0.00 0.00 55.97 53.13 2qoz s LYS 100 Cb -0.03 -0.82 0.04 0.00 -1.05 0.00 0.00 37.83 35.98 2qoz s LYS 100 CO 0.58 0.04 1.14 0.54 1.55 0.00 0.00 175.35 179.19 2qoz s VAL 101 N 0.42 4.04 -0.02 4.02 0.11 -1.12 0.56 120.40 128.41 2qoz s VAL 101 Ca -0.06 0.44 -0.20 0.00 -2.93 0.00 0.00 61.98 59.23 2qoz s VAL 101 Cb -0.10 -4.74 -0.12 0.00 -1.53 0.00 0.00 36.38 29.89 2qoz s VAL 101 CO 0.00 -1.48 0.85 -0.07 -3.33 0.00 0.00 175.10 171.08 2qoz h LEU 102 N 12.00 -0.55 -8.76 2.54 -0.00 -1.78 -3.37 115.31 115.38 2qoz h LEU 102 Ca -0.27 -0.02 -0.32 0.00 -0.00 0.00 0.00 57.88 57.27 2qoz h LEU 102 Cb 1.06 0.14 -0.14 0.00 -0.00 0.00 0.00 40.66 41.72 2qoz h LEU 102 CO 1.20 -0.14 -0.59 -0.31 -0.00 0.00 0.00 178.44 178.60 2qoz s TYR 103 N -3.89 1.38 -0.07 1.13 1.51 -1.26 -2.05 117.35 114.10 2qoz s TYR 103 Ca -0.11 -1.37 -0.03 0.00 -1.01 0.00 0.00 57.07 54.56 2qoz s TYR 103 Cb 0.01 -0.70 0.04 0.00 -0.11 0.00 0.00 41.96 41.20 2qoz s TYR 103 CO 0.34 -0.58 0.15 -1.21 -1.11 0.00 0.00 175.55 173.14 2qoz s GLU 104 N -4.00 0.07 0.40 -0.62 2.02 -0.89 -2.89 118.70 112.79 2qoz s GLU 104 Ca 0.38 0.42 0.08 0.00 0.02 0.00 0.00 54.97 55.87 2qoz s GLU 104 Cb 0.06 -0.21 -0.06 0.00 0.10 0.00 0.00 34.13 34.02 2qoz s GLU 104 CO 0.15 -0.21 0.11 1.41 0.02 0.00 0.00 175.26 176.74 2qoz s MET 105 N 1.52 2.15 0.00 1.61 1.75 -1.24 -0.64 119.30 124.45 2qoz s MET 105 Ca -0.05 -1.87 0.00 0.00 -1.25 0.00 0.00 55.69 52.52 2qoz s MET 105 Cb -0.12 -1.91 0.00 0.00 2.84 0.00 0.00 34.83 35.64 2qoz s MET 105 CO -0.06 -0.05 0.00 -3.47 -0.65 0.00 0.00 175.02 170.80 2qoz n ASP 106 N -1.12 0.00 -4.02 1.11 2.03 -1.24 -0.80 116.55 112.51 2qoz n ASP 106 Ca -0.03 0.00 -0.30 0.00 0.52 0.00 0.00 54.79 54.99 2qoz n ASP 106 Cb 0.64 0.08 -0.12 0.00 -0.72 0.00 0.00 41.12 41.00 2qoz n ASP 106 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2qoz n GLY 107 N -0.29 0.04 0.00 0.27 0.00 -1.26 -4.63 105.19 99.32 2qoz n GLY 107 Ca 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.58 2qoz n GLY 107 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2qoz n VAL 108 N 7.99 0.00 -1.59 1.61 3.14 -1.26 -1.06 118.33 127.16 2qoz n VAL 108 Ca 0.44 0.00 -0.44 0.00 -2.96 0.00 0.00 64.34 61.38 2qoz n VAL 108 Cb 0.44 0.00 -0.01 0.00 -1.06 0.00 0.00 33.84 33.21 2qoz n VAL 108 CO 0.00 0.00 0.00 -2.65 -6.46 0.00 0.00 176.83 167.72 2qoz n PRO 109 N -0.21 1.35 0.23 1.45 -0.02 -1.26 -4.58 135.00 131.96 2qoz n PRO 109 Ca 0.00 0.48 0.11 0.00 -2.02 0.00 0.00 63.50 62.07 2qoz n PRO 109 Cb 0.00 -1.87 0.69 0.00 -0.02 0.00 0.00 33.50 32.30 2qoz n PRO 109 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 2qoz h GLU 110 N 1.92 0.00 -0.01 -0.52 4.11 -1.97 0.29 114.58 118.39 2qoz h GLU 110 Ca -0.40 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.03 2qoz h GLU 110 Cb 1.34 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.59 2qoz h GLU 110 CO 0.60 0.00 0.04 1.49 0.07 0.00 0.00 179.01 181.20 2qoz h GLU 111 N 0.00 0.00 0.00 1.06 4.57 -2.00 0.06 114.58 118.27 2qoz h GLU 111 Ca 0.04 0.00 -0.32 0.00 -1.18 0.00 0.00 59.36 57.90 2qoz h GLU 111 Cb 0.17 0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 28.71 2qoz h GLU 111 CO -0.00 0.00 -2.06 -0.11 -1.18 0.00 0.00 179.01 175.66 2qoz n LEU 112 N -3.35 1.48 -0.33 1.64 -0.00 0.76 -4.05 117.00 113.15 2qoz n LEU 112 Ca -0.03 0.21 0.10 0.00 -0.00 0.00 0.00 56.01 56.29 2qoz n LEU 112 Cb 0.11 -0.57 0.31 0.00 -0.00 0.00 0.00 43.42 43.27 2qoz n LEU 112 CO 0.22 0.43 1.22 0.00 -0.00 0.00 0.00 177.39 179.27 2qoz h ALA 113 N -0.63 1.67 0.08 1.96 0.00 -0.78 -0.87 119.26 120.70 2qoz h ALA 113 Ca -0.48 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.46 2qoz h ALA 113 Cb 1.44 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.08 2qoz h ALA 113 CO -0.27 0.04 -0.04 -0.09 0.00 0.00 0.00 179.25 178.89 2qoz h ARG 114 N 0.83 -0.11 -1.99 0.00 2.43 -1.21 -2.61 114.38 111.72 2qoz h ARG 114 Ca 0.51 0.01 -0.28 0.00 -0.81 0.00 0.00 59.98 59.40 2qoz h ARG 114 Cb 0.69 0.02 -0.10 0.00 -0.42 0.00 0.00 29.97 30.16 2qoz h ARG 114 CO -0.28 0.17 -0.11 -1.91 -1.51 0.00 0.00 179.97 176.33 2qoz n GLU 115 N -5.01 2.09 0.00 0.20 0.00 -0.37 -3.21 120.64 114.34 2qoz n GLU 115 Ca -0.08 -1.41 0.00 0.00 0.00 0.00 0.00 57.16 55.67 2qoz n GLU 115 Cb 0.18 -2.01 0.00 0.00 0.00 0.00 0.00 31.44 29.61 2qoz n GLU 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2qoz n ALA 116 N 1.91 2.36 0.27 4.31 0.00 -0.94 -4.77 120.51 123.65 2qoz n ALA 116 Ca 0.43 0.00 0.14 0.00 0.00 0.00 0.00 53.44 54.01 2qoz n ALA 116 Cb 0.78 0.00 0.78 0.00 0.00 0.00 0.00 19.45 21.01 2qoz n ALA 116 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 2qoz h PHE 117 N 0.00 0.00 0.54 0.00 0.04 -1.44 -1.54 116.94 114.55 2qoz h PHE 117 Ca 0.00 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.74 2qoz h PHE 117 Cb 0.00 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.16 2qoz h PHE 117 CO 0.00 0.09 -0.26 -0.22 -0.60 0.00 0.00 178.31 177.32 2qoz h LYS 118 N 0.00 -0.70 0.00 1.51 3.64 -1.84 2.28 116.57 121.46 2qoz h LYS 118 Ca -0.00 0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 2qoz h LYS 118 Cb 0.31 0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.29 2qoz h LYS 118 CO 0.01 -0.40 0.07 1.28 -2.27 0.00 0.00 179.45 178.15 2qoz n LEU 119 N -5.31 0.35 -0.13 5.20 4.77 -0.87 -1.04 117.00 119.97 2qoz n LEU 119 Ca -0.11 0.63 -0.27 0.00 -0.03 0.00 0.00 56.01 56.22 2qoz n LEU 119 Cb 0.33 -0.65 -0.11 0.00 -2.33 0.00 0.00 43.42 40.66 2qoz n LEU 119 CO 0.31 -0.74 -1.17 0.00 -1.33 0.00 0.00 177.39 174.45 2qoz n ALA 120 N -1.64 1.08 0.27 -1.18 0.00 -0.63 -4.29 120.51 114.12 2qoz n ALA 120 Ca -0.01 -0.92 0.16 0.00 0.00 0.00 0.00 53.44 52.67 2qoz n ALA 120 Cb 0.09 -0.08 0.91 0.00 0.00 0.00 0.00 19.45 20.37 2qoz n ALA 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qoz h ALA 121 N -0.82 1.58 -0.38 0.00 0.00 0.48 0.88 119.26 121.01 2qoz h ALA 121 Ca -0.60 -0.00 0.11 0.00 0.00 0.00 0.00 54.91 54.42 2qoz h ALA 121 Cb 1.54 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.32 2qoz h ALA 121 CO -0.35 -0.11 0.36 0.00 0.00 0.00 0.00 179.25 179.15 2qoz h ALA 122 N 1.90 2.12 0.00 0.00 0.00 -1.27 0.49 119.26 122.51 2qoz h ALA 122 Ca 0.03 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.76 2qoz h ALA 122 Cb 0.18 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 2qoz h ALA 122 CO -0.00 -0.56 -1.44 1.63 0.00 0.00 0.00 179.25 178.88 2qoz n LYS 123 N -3.90 0.62 -2.38 0.00 4.76 0.30 -4.89 118.16 112.68 2qoz n LYS 123 Ca 0.06 0.20 -0.41 0.00 -2.87 0.00 0.00 58.31 55.29 2qoz n LYS 123 Cb 0.54 -1.79 -0.03 0.00 -1.84 0.00 0.00 35.03 31.90 2qoz n LYS 123 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2qoz s LEU 124 N -5.72 4.43 0.13 -0.35 1.43 0.17 -4.94 118.68 113.82 2qoz s LEU 124 Ca -0.03 2.19 -0.17 0.00 -1.03 0.00 0.00 54.13 55.09 2qoz s LEU 124 Cb 0.09 -3.60 -0.02 0.00 0.03 0.00 0.00 46.19 42.69 2qoz s LEU 124 CO 0.81 -0.41 1.69 -0.65 0.23 0.00 0.00 176.35 178.02 2qoz h PRO 125 N 5.68 0.55 -6.94 1.29 0.11 -1.90 -3.44 132.00 127.35 2qoz h PRO 125 Ca -0.44 -0.09 -0.47 0.00 0.11 0.00 0.00 66.00 65.11 2qoz h PRO 125 Cb 1.21 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.23 2qoz h PRO 125 CO 0.77 0.51 0.38 0.42 -0.21 0.00 0.00 178.00 179.87 2qoz s ILE 126 N -5.61 3.99 -0.85 4.15 1.09 -1.26 -4.96 121.20 117.75 2qoz s ILE 126 Ca -0.13 1.54 -0.25 0.00 -1.10 0.00 0.00 60.65 60.71 2qoz s ILE 126 Cb 0.10 -3.80 0.01 0.00 -1.06 0.00 0.00 42.46 37.71 2qoz s ILE 126 CO 0.74 0.02 1.57 -1.59 -0.10 0.00 0.00 174.94 175.58 2qoz s LYS 127 N -2.39 3.12 0.51 2.79 -2.85 -1.26 -4.98 119.74 114.67 2qoz s LYS 127 Ca 0.55 -0.43 -0.06 0.00 -1.00 0.00 0.00 55.97 55.03 2qoz s LYS 127 Cb -0.19 -4.81 -0.03 0.00 -2.06 0.00 0.00 37.83 30.73 2qoz s LYS 127 CO 0.24 -2.51 0.82 0.95 0.10 0.00 0.00 175.35 174.96 2qoz s THR 128 N 6.87 4.72 0.46 3.79 -4.23 -1.26 -4.35 115.64 121.64 2qoz s THR 128 Ca 0.51 0.23 0.01 0.00 -1.18 0.00 0.00 61.69 61.26 2qoz s THR 128 Cb -0.06 -3.81 -0.00 0.00 1.34 0.00 0.00 72.50 69.97 2qoz s THR 128 CO 0.04 -0.82 0.05 1.07 -0.54 0.00 0.00 174.62 174.41 2qoz n THR 129 N -2.35 0.00 -4.02 3.99 5.66 -1.19 -4.89 114.28 111.47 2qoz n THR 129 Ca 0.02 -2.30 -0.30 0.00 -3.05 0.00 0.00 64.05 58.41 2qoz n THR 129 Cb 0.55 0.58 -0.06 0.00 -1.55 0.00 0.00 70.33 69.86 2qoz n THR 129 CO 0.00 0.00 0.00 0.12 -3.05 0.00 0.00 175.07 172.14 2qoz s PHE 130 N -2.85 3.26 0.36 1.09 5.36 -1.26 -1.97 117.98 121.97 2qoz s PHE 130 Ca 0.07 0.11 0.06 0.00 -0.96 0.00 0.00 56.93 56.20 2qoz s PHE 130 Cb 0.00 -1.64 -0.03 0.00 -0.34 0.00 0.00 43.02 41.01 2qoz s PHE 130 CO 0.05 0.54 0.22 0.14 -1.46 0.00 0.00 175.22 174.71 2qoz s VAL 131 N -1.45 0.21 0.21 3.12 -7.23 -0.99 -4.92 120.40 109.34 2qoz s VAL 131 Ca 0.31 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.46 2qoz s VAL 131 Cb -0.12 -2.42 -0.04 0.00 0.56 0.00 0.00 36.38 34.36 2qoz s VAL 131 CO 0.24 0.00 0.16 0.42 -0.31 0.00 0.00 175.10 175.61 2qoz s THR 132 N -3.36 0.00 0.02 5.32 -4.23 -1.26 -4.20 115.64 107.93 2qoz s THR 132 Ca 0.34 -1.96 -0.07 0.00 -1.18 0.00 0.00 61.69 58.82 2qoz s THR 132 Cb 0.02 -2.48 -0.03 0.00 1.34 0.00 0.00 72.50 71.35 2qoz s THR 132 CO 0.22 0.00 1.11 0.50 -0.54 0.00 0.00 174.62 175.92 2qoz h LYS 133 N 2.57 -0.18 -3.26 3.99 3.64 -0.84 -3.42 116.57 119.09 2qoz h LYS 133 Ca -0.35 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.04 2qoz h LYS 133 Cb 1.25 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 33.11 2qoz h LYS 133 CO 0.51 -0.12 -0.77 2.41 -2.27 0.00 0.00 179.45 179.21 2qoz n THR 134 N -2.97 -4.78 0.09 1.00 -1.04 -1.26 -4.69 114.28 100.62 2qoz n THR 134 Ca -0.02 2.11 0.04 0.00 -2.04 0.00 0.00 64.05 64.14 2qoz n THR 134 Cb 0.09 -2.93 0.46 0.00 -1.82 0.00 0.00 70.33 66.13 2qoz n THR 134 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 2qoz h VAL 135 N 2.07 1.10 0.00 12.58 2.07 -2.02 -3.50 116.25 128.55 2qoz h VAL 135 Ca 0.00 -0.33 0.00 0.00 0.82 0.00 0.00 66.70 67.19 2qoz h VAL 135 Cb 0.00 0.82 0.00 0.00 -1.52 0.00 0.00 31.29 30.59 2qoz h VAL 135 CO 0.00 0.12 0.00 0.23 0.02 0.00 0.00 177.57 177.94