#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pqe n THR 2 N 0.00 -1.27 0.10 0.00 -1.04 -1.26 -4.74 114.28 106.07 2pqe n THR 2 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2pqe n THR 2 Cb 0.00 -3.08 0.00 0.00 -1.82 0.00 0.00 70.33 65.43 2pqe n THR 2 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 2pqe n SER 3 N -2.04 -0.75 -2.38 8.00 7.64 -1.26 -5.14 113.62 117.68 2pqe n SER 3 Ca -0.20 0.35 -0.01 0.00 1.01 0.00 0.00 58.87 60.02 2pqe n SER 3 Cb 0.66 0.86 -0.01 0.00 -1.01 0.00 0.00 64.21 64.72 2pqe n SER 3 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 2pqe n THR 4 N -3.06-13.36 0.06 0.44 -1.04 -1.26 -4.87 114.28 91.19 2pqe n THR 4 Ca 0.00 3.11 -0.04 0.00 -2.04 0.00 0.00 64.05 65.08 2pqe n THR 4 Cb 0.00 -6.18 0.17 0.00 -1.82 0.00 0.00 70.33 62.50 2pqe n THR 4 CO 0.00 0.00 0.00 0.50 -0.64 0.00 0.00 175.07 174.93 2pqe h LYS 5 N 4.22 0.34 -5.32 -2.82 1.63 -2.01 -3.48 116.57 109.12 2pqe h LYS 5 Ca -0.09 -0.18 -0.00 0.00 -0.85 0.00 0.00 60.65 59.53 2pqe h LYS 5 Cb 0.21 0.01 0.00 0.00 -0.60 0.00 0.00 32.23 31.84 2pqe h LYS 5 CO 0.00 0.73 -0.36 1.17 -3.45 0.00 0.00 179.45 177.54 2pqe n LYS 6 N -3.99 -2.07 -0.96 1.90 4.81 -1.26 -4.99 118.16 111.59 2pqe n LYS 6 Ca -0.02 1.94 -0.02 0.00 -0.87 0.00 0.00 58.31 59.35 2pqe n LYS 6 Cb 0.52 -5.68 -0.02 0.00 0.02 0.00 0.00 35.03 29.87 2pqe n LYS 6 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 2pqe n LEU 7 N -0.73 -0.12 -4.33 3.14 7.94 -1.26 -4.96 117.00 116.68 2pqe n LEU 7 Ca 0.08 -1.66 -0.26 0.00 -1.11 0.00 0.00 56.01 53.07 2pqe n LEU 7 Cb 0.47 0.00 -0.13 0.00 0.53 0.00 0.00 43.42 44.30 2pqe n LEU 7 CO 0.50 0.96 -0.53 -1.38 -1.11 0.00 0.00 177.39 175.82 2pqe s HIS 8 N 0.00 1.99 0.14 1.96 -3.43 -1.26 -5.14 115.29 109.55 2pqe s HIS 8 Ca 0.09 -0.41 -0.08 0.00 -0.80 0.00 0.00 55.06 53.87 2pqe s HIS 8 Cb 0.10 -1.08 -0.06 0.00 -1.43 0.00 0.00 32.58 30.12 2pqe s HIS 8 CO -0.05 0.27 0.43 -1.59 -2.00 0.00 0.00 174.74 171.80 2pqe s LYS 9 N -2.04 3.72 -0.29 -0.38 -2.85 -1.26 -4.52 119.74 112.12 2pqe s LYS 9 Ca 0.10 0.10 -0.16 0.00 -1.00 0.00 0.00 55.97 55.01 2pqe s LYS 9 Cb -0.10 -2.86 0.16 0.00 -2.06 0.00 0.00 37.83 32.98 2pqe s LYS 9 CO 0.05 0.47 1.05 -2.00 0.10 0.00 0.00 175.35 175.02 2pqe s GLU 10 N -2.41 0.28 0.00 1.78 2.12 -0.50 -4.75 118.70 115.21 2pqe s GLU 10 Ca 0.40 0.51 0.00 0.00 0.36 0.00 0.00 54.97 56.24 2pqe s GLU 10 Cb -0.13 0.10 0.00 0.00 0.26 0.00 0.00 34.13 34.36 2pqe s GLU 10 CO 0.21 -0.06 0.00 0.00 -0.54 0.00 0.00 175.26 174.87 2pqe n ALA 11 N 3.73 0.18 0.00 6.30 0.00 -1.25 -2.44 120.51 127.03 2pqe n ALA 11 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.27 2pqe n ALA 11 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.02 2pqe n ALA 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2pqe n ALA 12 N -3.00 0.00 -3.25 0.00 0.00 -0.96 -4.15 120.51 109.14 2pqe n ALA 12 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 2pqe n ALA 12 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.36 2pqe n ALA 12 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2pqe s THR 13 N 0.00 0.03 -0.32 0.00 2.01 -1.05 -4.02 115.64 112.29 2pqe s THR 13 Ca 0.00 -0.28 -0.14 0.00 0.31 0.00 0.00 61.69 61.58 2pqe s THR 13 Cb 0.00 -0.59 -0.02 0.00 0.01 0.00 0.00 72.50 71.90 2pqe s THR 13 CO 0.00 -0.15 0.30 -0.22 -0.69 0.00 0.00 174.62 173.85 2pqe s LEU 14 N -0.75 4.36 0.00 4.42 1.98 -1.26 0.17 118.68 127.60 2pqe s LEU 14 Ca -0.08 -0.20 -0.25 0.00 -2.89 0.00 0.00 54.13 50.71 2pqe s LEU 14 Cb -0.04 -2.25 -0.14 0.00 0.66 0.00 0.00 46.19 44.42 2pqe s LEU 14 CO 0.03 -0.24 1.05 0.40 -1.89 0.00 0.00 176.35 175.70 2pqe h ILE 15 N 5.48 0.12 -1.07 6.68 5.03 -0.57 -3.47 117.51 129.71 2pqe h ILE 15 Ca -0.31 -0.40 0.21 0.00 -0.12 0.00 0.00 64.86 64.24 2pqe h ILE 15 Cb 1.16 0.17 -0.31 0.00 -3.03 0.00 0.00 36.82 34.81 2pqe h ILE 15 CO 0.65 0.02 0.91 -0.75 -0.68 0.00 0.00 178.15 178.30 2pqe s LYS 16 N -4.46 0.06 0.48 2.37 2.20 -1.03 -5.01 119.74 114.36 2pqe s LYS 16 Ca -0.13 0.05 -0.20 0.00 -0.36 0.00 0.00 55.97 55.33 2pqe s LYS 16 Cb 0.01 0.03 -0.09 0.00 -1.51 0.00 0.00 37.83 36.28 2pqe s LYS 16 CO 0.41 -0.01 1.00 0.00 -0.36 0.00 0.00 175.35 176.39 2pqe s ALA 17 N -0.42 2.95 -0.15 3.13 0.00 -1.26 -0.45 121.76 125.56 2pqe s ALA 17 Ca 0.08 0.46 -0.03 0.00 0.00 0.00 0.00 51.96 52.47 2pqe s ALA 17 Cb -0.03 -3.20 -0.08 0.00 0.00 0.00 0.00 23.12 19.81 2pqe s ALA 17 CO -0.12 -0.17 -0.16 -0.89 0.00 0.00 0.00 175.76 174.41 2pqe n ILE 18 N -1.00 0.82 -2.82 0.00 2.08 0.42 -4.85 119.36 114.00 2pqe n ILE 18 Ca 0.08 -0.26 -0.10 0.00 0.56 0.00 0.00 62.75 63.03 2pqe n ILE 18 Cb 0.53 -1.36 0.03 0.00 -0.75 0.00 0.00 39.64 38.09 2pqe n ILE 18 CO 0.00 0.00 0.00 -0.67 0.56 0.00 0.00 176.55 176.44 2pqe n ASP 19 N -3.30 -2.47 0.00 4.38 2.03 0.24 -4.97 116.55 112.45 2pqe n ASP 19 Ca -0.27 -3.17 0.00 0.00 0.52 0.00 0.00 54.79 51.86 2pqe n ASP 19 Cb 0.74 1.44 0.00 0.00 -0.72 0.00 0.00 41.12 42.58 2pqe n ASP 19 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2pqe n GLY 20 N 1.74 0.41 0.06 0.27 0.00 -1.25 -2.47 105.19 103.94 2pqe n GLY 20 Ca 0.12 0.59 -0.07 0.00 0.00 0.00 0.00 46.02 46.66 2pqe n GLY 20 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2pqe h ASP 21 N 0.00 0.00 -3.57 1.61 3.32 -1.87 -3.43 116.42 112.47 2pqe h ASP 21 Ca 0.00 -0.00 -0.63 0.00 0.02 0.00 0.00 57.03 56.42 2pqe h ASP 21 Cb 0.00 -0.00 -0.13 0.00 0.22 0.00 0.00 39.33 39.42 2pqe h ASP 21 CO 0.00 1.00 0.26 -0.89 -1.72 0.00 0.00 179.24 177.89 2pqe s THR 22 N -2.70 4.78 -0.01 0.35 2.01 -1.03 -1.98 115.64 117.05 2pqe s THR 22 Ca 0.00 0.58 -0.03 0.00 0.31 0.00 0.00 61.69 62.55 2pqe s THR 22 Cb 0.10 -4.19 0.00 0.00 0.01 0.00 0.00 72.50 68.42 2pqe s THR 22 CO 0.82 -0.48 0.07 0.68 -0.69 0.00 0.00 174.62 175.03 2pqe s VAL 23 N 2.97 0.04 -0.53 3.82 -7.23 -0.44 0.16 120.40 119.19 2pqe s VAL 23 Ca 0.27 -0.35 -0.24 0.00 -1.81 0.00 0.00 61.98 59.86 2pqe s VAL 23 Cb -0.13 -0.23 0.04 0.00 0.56 0.00 0.00 36.38 36.62 2pqe s VAL 23 CO 0.18 -0.19 0.92 -0.54 -0.31 0.00 0.00 175.10 175.16 2pqe s LYS 24 N -0.59 3.36 -0.13 4.82 1.02 0.40 0.11 119.74 128.73 2pqe s LYS 24 Ca -0.07 -0.21 -0.02 0.00 0.02 0.00 0.00 55.97 55.70 2pqe s LYS 24 Cb -0.04 -4.03 -0.02 0.00 -0.52 0.00 0.00 37.83 33.22 2pqe s LYS 24 CO 0.00 -1.41 -0.08 -1.17 -0.92 0.00 0.00 175.35 171.77 2pqe s LEU 25 N 3.84 3.04 -0.73 3.17 0.20 0.78 0.22 118.68 129.21 2pqe s LEU 25 Ca 0.31 -0.18 -0.27 0.00 0.69 0.00 0.00 54.13 54.68 2pqe s LEU 25 Cb -0.12 -1.70 0.03 0.00 -0.43 0.00 0.00 46.19 43.96 2pqe s LEU 25 CO 0.20 0.20 1.27 -0.32 -0.29 0.00 0.00 176.35 177.41 2pqe s MET 26 N 0.16 3.21 -0.06 1.98 1.75 0.45 -1.11 119.30 125.69 2pqe s MET 26 Ca -0.04 -0.22 -0.02 0.00 -1.25 0.00 0.00 55.69 54.16 2pqe s MET 26 Cb -0.14 -4.17 -0.04 0.00 2.84 0.00 0.00 34.83 33.32 2pqe s MET 26 CO 0.04 -2.12 0.04 -0.47 -0.65 0.00 0.00 175.02 171.86 2pqe s TYR 27 N 5.66 3.24 -0.44 4.11 6.14 0.29 -2.54 117.35 133.81 2pqe s TYR 27 Ca 0.35 0.23 0.00 0.00 0.64 0.00 0.00 57.07 58.29 2pqe s TYR 27 Cb -0.08 -1.78 0.00 0.00 0.42 0.00 0.00 41.96 40.52 2pqe s TYR 27 CO 0.16 0.53 0.00 0.36 0.64 0.00 0.00 175.55 177.23 2pqe n LYS 28 N 1.77 -2.36 -0.59 4.97 -0.00 -1.26 0.12 118.16 120.82 2pqe n LYS 28 Ca -0.17 0.25 0.00 0.00 -0.00 0.00 0.00 58.31 58.39 2pqe n LYS 28 Cb 0.53 -4.70 0.00 0.00 -0.00 0.00 0.00 35.03 30.87 2pqe n LYS 28 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2pqe n GLY 29 N -0.51 0.64 2.85 2.58 0.00 -1.26 -5.07 105.19 104.43 2pqe n GLY 29 Ca -0.06 -0.58 -0.16 0.00 0.00 0.00 0.00 46.02 45.22 2pqe n GLY 29 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2pqe s GLN 30 N -1.10 0.30 -0.71 1.61 -2.07 0.32 -5.10 119.66 112.91 2pqe s GLN 30 Ca 0.00 0.01 -0.27 0.00 -1.82 0.00 0.00 55.36 53.28 2pqe s GLN 30 Cb 0.00 -0.41 0.03 0.00 -1.09 0.00 0.00 33.01 31.55 2pqe s GLN 30 CO 0.00 -0.07 1.24 0.00 -1.32 0.00 0.00 175.29 175.14 2pqe s ALA 31 N 0.65 2.82 0.12 2.60 0.00 -1.26 0.10 121.76 126.79 2pqe s ALA 31 Ca -0.07 -1.35 0.08 0.00 0.00 0.00 0.00 51.96 50.63 2pqe s ALA 31 Cb -0.10 -4.19 -0.04 0.00 0.00 0.00 0.00 23.12 18.79 2pqe s ALA 31 CO -0.01 -3.16 -0.14 0.00 0.00 0.00 0.00 175.76 172.45 2pqe s MET 32 N 5.47 1.93 -0.38 0.00 0.00 -0.26 -4.89 119.30 121.17 2pqe s MET 32 Ca 0.35 -1.15 -0.29 0.00 0.00 0.00 0.00 55.69 54.60 2pqe s MET 32 Cb -0.09 -2.18 0.02 0.00 0.00 0.00 0.00 34.83 32.58 2pqe s MET 32 CO 0.16 0.48 1.10 0.99 0.00 0.00 0.00 175.02 177.75 2pqe s THR 33 N -1.25 4.39 0.29 3.16 2.01 -1.26 -0.15 115.64 122.82 2pqe s THR 33 Ca 0.20 1.54 0.01 0.00 0.31 0.00 0.00 61.69 63.75 2pqe s THR 33 Cb -0.10 -4.49 -0.04 0.00 0.01 0.00 0.00 72.50 67.88 2pqe s THR 33 CO 0.12 -0.68 0.47 -0.36 -0.69 0.00 0.00 174.62 173.48 2pqe s PHE 34 N 3.97 3.49 -0.04 4.92 0.40 0.31 0.11 117.98 131.13 2pqe s PHE 34 Ca 0.46 0.30 -0.01 0.00 -0.60 0.00 0.00 56.93 57.08 2pqe s PHE 34 Cb -0.10 -1.84 0.03 0.00 0.51 0.00 0.00 43.02 41.62 2pqe s PHE 34 CO 0.22 0.25 0.04 1.03 0.70 0.00 0.00 175.22 177.46 2pqe s ARG 35 N -3.94 0.08 -0.06 0.44 1.81 0.01 -1.33 118.95 115.96 2pqe s ARG 35 Ca 0.39 0.28 -0.32 0.00 -1.72 0.00 0.00 55.73 54.35 2pqe s ARG 35 Cb -0.10 -0.55 -0.10 0.00 -0.45 0.00 0.00 34.95 33.75 2pqe s ARG 35 CO 0.32 -0.28 1.96 -0.11 -0.68 0.00 0.00 175.30 176.51 2pqe n LEU 36 N 5.00 3.67 -4.77 2.53 0.00 -0.84 -0.47 117.00 122.12 2pqe n LEU 36 Ca -0.10 0.87 -0.38 0.00 0.00 0.00 0.00 56.01 56.40 2pqe n LEU 36 Cb 0.50 -1.44 -0.06 0.00 0.00 0.00 0.00 43.42 42.42 2pqe n LEU 36 CO 0.11 -0.03 0.64 -0.76 0.00 0.00 0.00 177.39 177.36 2pqe s LEU 37 N 4.69 4.49 -1.53 -1.96 1.43 -0.84 -3.57 118.68 121.38 2pqe s LEU 37 Ca 0.93 1.88 0.00 0.00 -1.03 0.00 0.00 54.13 55.91 2pqe s LEU 37 Cb -0.57 -3.82 0.00 0.00 0.03 0.00 0.00 46.19 41.83 2pqe s LEU 37 CO 0.47 0.04 0.00 0.18 0.23 0.00 0.00 176.35 177.27 2pqe n LEU 38 N 1.00 -1.33 -3.93 1.79 4.77 -1.26 -4.79 117.00 113.24 2pqe n LEU 38 Ca -0.00 0.25 -0.12 0.00 -0.03 0.00 0.00 56.01 56.11 2pqe n LEU 38 Cb 0.49 -2.40 -0.13 0.00 -2.33 0.00 0.00 43.42 39.04 2pqe n LEU 38 CO 0.47 -0.50 -0.37 -0.69 -1.33 0.00 0.00 177.39 174.97 2pqe s VAL 39 N -2.58 0.14 -0.25 4.08 1.01 -1.23 -2.42 120.40 119.15 2pqe s VAL 39 Ca 0.00 -0.40 0.02 0.00 0.00 0.00 0.00 61.98 61.59 2pqe s VAL 39 Cb 0.00 -0.19 0.06 0.00 0.00 0.00 0.00 36.38 36.25 2pqe s VAL 39 CO 0.00 -0.17 -0.06 -0.62 0.00 0.00 0.00 175.10 174.26 2pqe s ASP 40 N -0.60 4.10 -0.67 3.32 2.15 0.31 -4.64 116.67 120.65 2pqe s ASP 40 Ca -0.05 -1.33 0.02 0.00 0.43 0.00 0.00 52.55 51.62 2pqe s ASP 40 Cb -0.04 -1.31 0.17 0.00 -0.30 0.00 0.00 42.92 41.43 2pqe s ASP 40 CO -0.00 -0.24 0.47 -0.89 -0.17 0.00 0.00 175.17 174.33 2pqe s THR 41 N 1.28 3.17 0.31 1.71 2.01 -1.26 -0.35 115.64 122.50 2pqe s THR 41 Ca -0.05 -3.75 0.00 0.00 0.31 0.00 0.00 61.69 58.20 2pqe s THR 41 Cb -0.19 -3.08 0.00 0.00 0.01 0.00 0.00 72.50 69.24 2pqe s THR 41 CO -0.07 -0.94 0.00 0.00 -0.69 0.00 0.00 174.62 172.92 2pqe n ALA 42 N 2.57 -2.06 -2.67 7.40 0.00 -1.26 -3.43 120.51 121.06 2pqe n ALA 42 Ca 0.14 0.45 -0.04 0.00 0.00 0.00 0.00 53.44 53.99 2pqe n ALA 42 Cb 0.35 -0.83 0.04 0.00 0.00 0.00 0.00 19.45 19.01 2pqe n ALA 42 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2pqe n GLU 43 N -3.38 0.29 -1.75 0.00 2.13 -1.26 -4.82 120.64 111.84 2pqe n GLU 43 Ca -0.04 -0.84 -0.36 0.00 0.66 0.00 0.00 57.16 56.58 2pqe n GLU 43 Cb 0.37 -0.10 -0.03 0.00 0.27 0.00 0.00 31.44 31.94 2pqe n GLU 43 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 2pqe s THR 44 N 0.06 3.14 0.00 6.31 -4.23 -1.26 -4.66 115.64 115.01 2pqe s THR 44 Ca 0.11 0.06 0.19 0.00 -1.18 0.00 0.00 61.69 60.87 2pqe s THR 44 Cb 0.17 -3.38 0.31 0.00 1.34 0.00 0.00 72.50 70.95 2pqe s THR 44 CO -0.08 -0.36 1.11 2.29 -0.54 0.00 0.00 174.62 177.04 2pqe n LYS 45 N 9.06 0.00 0.00 3.99 -0.00 -1.26 -5.10 118.16 124.85 2pqe n LYS 45 Ca 0.31 -1.71 0.00 0.00 -0.00 0.00 0.00 58.31 56.91 2pqe n LYS 45 Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.56 2pqe n LYS 45 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.40 178.98 2pqe n HIS 46 N 0.37 0.00 -0.95 5.58 -0.00 -1.26 -5.01 115.22 113.94 2pqe n HIS 46 Ca 0.01 0.00 -0.23 0.00 0.46 0.00 0.00 57.72 57.96 2pqe n HIS 46 Cb 1.03 0.00 0.08 0.00 -0.12 0.00 0.00 29.99 30.97 2pqe n HIS 46 CO 0.00 0.00 0.00 2.41 0.46 0.00 0.00 176.34 179.21 2pqe n THR 47 N 0.00 3.01 0.87 3.57 -1.04 -1.26 -4.43 114.28 115.00 2pqe n THR 47 Ca 0.00 -1.99 0.11 0.00 -2.04 0.00 0.00 64.05 60.13 2pqe n THR 47 Cb 0.00 -1.06 0.51 0.00 -1.82 0.00 0.00 70.33 67.96 2pqe n THR 47 CO 0.00 0.00 0.00 2.29 -0.64 0.00 0.00 175.07 176.72 2pqe n LYS 48 N -0.38 0.10 0.00 -2.82 -0.00 -1.26 -4.90 118.16 108.91 2pqe n LYS 48 Ca 0.45 0.10 0.00 0.00 -0.00 0.00 0.00 58.31 58.86 2pqe n LYS 48 Cb 0.83 -1.50 0.00 0.00 -0.00 0.00 0.00 35.03 34.36 2pqe n LYS 48 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 2pqe n LYS 49 N -1.43 0.00 0.00 -1.58 5.02 -1.26 -3.52 118.16 115.39 2pqe n LYS 49 Ca 0.07 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.36 2pqe n LYS 49 Cb 0.24 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.25 2pqe n LYS 49 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2pqe n GLY 50 N 0.00 0.82 0.54 0.72 0.00 -1.26 -5.02 105.19 100.99 2pqe n GLY 50 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.02 2pqe n GLY 50 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2pqe n VAL 51 N 0.00 0.00 1.30 1.61 0.31 -1.23 -2.98 118.33 117.34 2pqe n VAL 51 Ca 0.00 -0.02 0.13 0.00 -0.01 0.00 0.00 64.34 64.44 2pqe n VAL 51 Cb 0.00 0.22 0.42 0.00 -0.91 0.00 0.00 33.84 33.56 2pqe n VAL 51 CO 0.00 0.00 0.00 -1.84 -1.32 0.00 0.00 176.83 173.67 2pqe n GLU 52 N 0.01 1.02 -1.02 5.55 -0.00 -1.25 -4.34 120.64 120.61 2pqe n GLU 52 Ca -0.01 -0.60 -0.04 0.00 -0.00 0.00 0.00 57.16 56.51 2pqe n GLU 52 Cb 0.59 -1.49 -0.03 0.00 -0.00 0.00 0.00 31.44 30.51 2pqe n GLU 52 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.13 177.49 2pqe n LYS 53 N -0.47 0.11 -3.67 3.44 -0.00 -1.26 -4.99 118.16 111.32 2pqe n LYS 53 Ca 0.14 -0.71 -0.25 0.00 -0.00 0.00 0.00 58.31 57.48 2pqe n LYS 53 Cb 0.35 0.48 0.07 0.00 -0.00 0.00 0.00 35.03 35.92 2pqe n LYS 53 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 2pqe n TYR 54 N -0.13 -2.73 -0.06 5.58 4.01 -1.26 -4.81 117.16 117.76 2pqe n TYR 54 Ca -0.19 0.99 -0.14 0.00 -0.16 0.00 0.00 57.90 58.41 2pqe n TYR 54 Cb 0.59 -4.79 -0.06 0.00 -0.31 0.00 0.00 39.34 34.76 2pqe n TYR 54 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 2pqe h GLY 55 N -2.54 0.52 0.93 2.72 0.00 -1.91 -1.83 103.07 100.96 2pqe h GLY 55 Ca -0.57 -0.57 -0.02 0.00 0.00 0.00 0.00 47.33 46.17 2pqe h GLY 55 CO 0.58 0.51 -0.16 0.00 0.00 0.00 0.00 176.54 177.48 2pqe h ALA 56 N 0.61 -0.45 -0.07 3.60 0.00 -1.89 -2.65 119.26 118.42 2pqe h ALA 56 Ca 0.02 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 2pqe h ALA 56 Cb 0.81 0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.76 2pqe h ALA 56 CO 0.06 -0.71 0.02 1.49 0.00 0.00 0.00 179.25 180.10 2pqe h GLU 57 N -0.53 0.10 -0.19 0.00 4.57 -1.85 -2.57 114.58 114.11 2pqe h GLU 57 Ca -0.05 -0.01 0.04 0.00 -1.18 0.00 0.00 59.36 58.17 2pqe h GLU 57 Cb 0.39 -0.02 -0.04 0.00 -0.16 0.00 0.00 28.75 28.93 2pqe h GLU 57 CO 0.08 0.09 -0.05 0.00 -1.18 0.00 0.00 179.01 177.94 2pqe h ALA 58 N 1.92 0.11 -0.25 2.92 0.00 -0.97 -0.90 119.26 122.10 2pqe h ALA 58 Ca 0.03 0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.93 2pqe h ALA 58 Cb 0.04 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 2pqe h ALA 58 CO -0.00 -0.49 -0.18 0.77 0.00 0.00 0.00 179.25 179.36 2pqe h SER 59 N -0.01 0.43 -0.24 0.00 0.02 -1.32 -2.67 113.55 109.75 2pqe h SER 59 Ca 0.09 -0.12 -0.01 0.00 -0.84 0.00 0.00 61.79 60.91 2pqe h SER 59 Cb 0.15 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.57 2pqe h SER 59 CO -0.20 0.62 0.11 0.00 -1.14 0.00 0.00 176.83 176.22 2pqe h ALA 60 N 1.42 0.31 -0.68 3.77 0.00 -1.10 0.58 119.26 123.55 2pqe h ALA 60 Ca 0.07 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 2pqe h ALA 60 Cb 0.54 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 2pqe h ALA 60 CO 0.04 -0.12 0.34 0.35 0.00 0.00 0.00 179.25 179.85 2pqe h PHE 61 N 0.25 0.97 -0.04 0.00 3.04 -1.06 0.12 116.94 120.22 2pqe h PHE 61 Ca 0.08 -0.04 -0.18 0.00 3.98 0.00 0.00 57.97 61.81 2pqe h PHE 61 Cb 0.13 -0.30 -0.01 0.00 2.56 0.00 0.00 35.95 38.33 2pqe h PHE 61 CO -0.02 0.71 -0.76 1.15 -2.02 0.00 0.00 178.31 177.37 2pqe h THR 62 N 0.94 1.43 -0.19 4.41 2.02 -1.30 -1.08 112.91 119.14 2pqe h THR 62 Ca 0.23 -2.30 -0.11 0.00 0.77 0.00 0.00 66.41 65.01 2pqe h THR 62 Cb 0.10 2.24 -0.00 0.00 -1.74 0.00 0.00 68.15 68.74 2pqe h THR 62 CO -0.03 0.68 -0.29 0.11 0.37 0.00 0.00 175.52 176.35 2pqe h LYS 63 N 0.17 0.54 -0.07 6.66 1.57 0.49 -1.97 116.57 123.96 2pqe h LYS 63 Ca -0.03 -0.32 -0.18 0.00 -1.87 0.00 0.00 60.65 58.24 2pqe h LYS 63 Cb 1.34 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.67 2pqe h LYS 63 CO 0.12 0.92 -0.74 1.57 -0.57 0.00 0.00 179.45 180.76 2pqe h LYS 64 N 0.20 0.38 -0.19 3.15 5.09 -0.81 0.45 116.57 124.84 2pqe h LYS 64 Ca 0.02 -0.31 -0.10 0.00 0.09 0.00 0.00 60.65 60.34 2pqe h LYS 64 Cb 0.88 0.07 -0.01 0.00 0.10 0.00 0.00 32.23 33.26 2pqe h LYS 64 CO 0.07 0.96 -0.32 1.98 -2.09 0.00 0.00 179.45 180.05 2pqe h MET 65 N 0.26 0.39 0.06 0.07 4.05 -1.21 -1.98 114.93 116.56 2pqe h MET 65 Ca -0.03 -0.16 -0.29 0.00 -0.28 0.00 0.00 59.70 58.94 2pqe h MET 65 Cb 1.31 -0.02 -0.03 0.00 -0.80 0.00 0.00 31.60 32.07 2pqe h MET 65 CO 0.12 0.67 -1.58 1.33 0.23 0.00 0.00 176.91 177.68 2pqe n VAL 66 N -4.09 1.65 0.21 -5.77 0.24 -0.74 -1.85 118.33 107.98 2pqe n VAL 66 Ca -0.01 -0.30 0.15 0.00 -2.04 0.00 0.00 64.34 62.14 2pqe n VAL 66 Cb 0.44 -1.91 0.80 0.00 -1.47 0.00 0.00 33.84 31.69 2pqe n VAL 66 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 2pqe h GLU 67 N -0.54 0.00 0.05 7.34 4.39 -0.15 -2.27 114.58 123.40 2pqe h GLU 67 Ca -0.38 0.00 -0.37 0.00 0.34 0.00 0.00 59.36 58.95 2pqe h GLU 67 Cb 1.62 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 30.23 2pqe h GLU 67 CO -0.08 0.00 -2.20 0.09 -1.16 0.00 0.00 179.01 175.66 2pqe n ASN 68 N -4.03 1.78 -4.57 1.42 3.02 -0.74 -4.73 115.26 107.41 2pqe n ASN 68 Ca 0.01 0.07 -0.22 0.00 -0.03 0.00 0.00 54.58 54.41 2pqe n ASN 68 Cb 0.25 -0.46 -0.07 0.00 -0.61 0.00 0.00 39.78 38.89 2pqe n ASN 68 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2pqe s ALA 69 N -2.54 1.22 0.57 5.41 0.00 -0.77 -4.74 121.76 120.91 2pqe s ALA 69 Ca -0.25 -1.60 0.32 0.00 0.00 0.00 0.00 51.96 50.43 2pqe s ALA 69 Cb 0.08 -4.64 1.43 0.00 0.00 0.00 0.00 23.12 19.99 2pqe s ALA 69 CO 0.71 -5.73 1.77 0.87 0.00 0.00 0.00 175.76 173.39 2pqe h LYS 70 N 11.07 0.00 -4.83 0.00 1.79 -1.85 -3.35 116.57 119.41 2pqe h LYS 70 Ca 0.10 0.00 -0.63 0.00 -2.18 0.00 0.00 60.65 57.94 2pqe h LYS 70 Cb 0.98 0.00 -0.36 0.00 -1.58 0.00 0.00 32.23 31.27 2pqe h LYS 70 CO 1.13 0.00 -0.84 0.21 -1.08 0.00 0.00 179.45 178.87 2pqe s LYS 71 N -4.75 2.55 0.02 3.15 2.36 -1.26 -4.83 119.74 116.99 2pqe s LYS 71 Ca -0.04 -0.72 0.08 0.00 -2.55 0.00 0.00 55.97 52.73 2pqe s LYS 71 Cb 0.19 -2.35 -0.02 0.00 -1.05 0.00 0.00 37.83 34.59 2pqe s LYS 71 CO 0.66 -0.26 -0.23 0.42 1.55 0.00 0.00 175.35 177.49 2pqe s ILE 72 N 1.38 1.83 0.06 5.43 1.09 -1.26 0.10 121.20 129.85 2pqe s ILE 72 Ca 0.04 -1.17 0.04 0.00 -1.10 0.00 0.00 60.65 58.45 2pqe s ILE 72 Cb -0.13 -1.56 -0.03 0.00 -1.06 0.00 0.00 42.46 39.68 2pqe s ILE 72 CO -0.11 0.35 -0.11 -1.61 -0.10 0.00 0.00 174.94 173.35 2pqe s GLU 73 N -0.98 0.72 0.04 2.79 8.01 0.21 -2.28 118.70 127.21 2pqe s GLU 73 Ca 0.09 -0.91 0.04 0.00 0.01 0.00 0.00 54.97 54.20 2pqe s GLU 73 Cb -0.09 -0.59 -0.02 0.00 -4.31 0.00 0.00 34.13 29.12 2pqe s GLU 73 CO 0.01 0.12 -0.12 0.14 0.01 0.00 0.00 175.26 175.42 2pqe s VAL 74 N -1.49 0.92 -0.03 2.63 -7.23 -1.02 0.11 120.40 114.28 2pqe s VAL 74 Ca -0.04 -1.02 0.01 0.00 -1.81 0.00 0.00 61.98 59.12 2pqe s VAL 74 Cb -0.09 -0.87 0.03 0.00 0.56 0.00 0.00 36.38 36.00 2pqe s VAL 74 CO 0.01 -0.12 -0.01 -0.70 -0.31 0.00 0.00 175.10 173.97 2pqe s GLU 75 N -1.28 0.40 -0.00 4.82 2.56 -0.91 -1.41 118.70 122.88 2pqe s GLU 75 Ca -0.02 0.04 -0.13 0.00 0.00 0.00 0.00 54.97 54.87 2pqe s GLU 75 Cb -0.08 -0.55 -0.05 0.00 2.00 0.00 0.00 34.13 35.44 2pqe s GLU 75 CO 0.01 -0.13 0.37 -0.06 -0.56 0.00 0.00 175.26 174.90 2pqe s PHE 76 N 1.01 3.69 -0.42 5.30 0.40 -1.26 -1.58 117.98 125.12 2pqe s PHE 76 Ca -0.10 0.90 0.09 0.00 -0.60 0.00 0.00 56.93 57.23 2pqe s PHE 76 Cb -0.14 -2.22 0.61 0.00 0.51 0.00 0.00 43.02 41.78 2pqe s PHE 76 CO -0.01 0.64 1.48 -0.25 0.70 0.00 0.00 175.22 177.77 2pqe n ASP 77 N 1.68 4.45 0.00 1.36 8.00 -1.26 -4.88 116.55 125.89 2pqe n ASP 77 Ca -0.14 -2.78 0.00 0.00 0.71 0.00 0.00 54.79 52.58 2pqe n ASP 77 Cb 0.53 -0.66 0.00 0.00 -0.02 0.00 0.00 41.12 40.97 2pqe n ASP 77 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2pqe n LYS 78 N 0.30 0.00 0.00 -1.24 5.02 -1.26 -4.36 118.16 116.62 2pqe n LYS 78 Ca 0.25 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.54 2pqe n LYS 78 Cb 1.03 -0.93 0.00 0.00 -0.02 0.00 0.00 35.03 35.11 2pqe n LYS 78 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2pqe n GLY 79 N -1.84 -2.87 3.67 0.72 0.00 -1.07 -4.79 105.19 99.01 2pqe n GLY 79 Ca 0.00 -1.10 -0.44 0.00 0.00 0.00 0.00 46.02 44.49 2pqe n GLY 79 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2pqe n GLN 80 N 0.00 2.68 0.12 1.61 -0.06 -1.25 -4.83 117.38 115.64 2pqe n GLN 80 Ca 0.00 0.98 0.08 0.00 -2.00 0.00 0.00 57.00 56.06 2pqe n GLN 80 Cb 0.00 -2.89 0.03 0.00 -4.06 0.00 0.00 30.24 23.32 2pqe n GLN 80 CO 0.00 0.00 0.00 -0.09 -0.20 0.00 0.00 177.06 176.77 2pqe h ARG 81 N 9.50 0.00 -2.19 3.69 2.43 -1.87 -3.39 114.38 122.55 2pqe h ARG 81 Ca -0.48 0.00 -0.20 0.00 -0.81 0.00 0.00 59.98 58.49 2pqe h ARG 81 Cb 1.24 0.00 -0.32 0.00 -0.42 0.00 0.00 29.97 30.48 2pqe h ARG 81 CO 0.94 0.14 -0.52 0.95 -1.51 0.00 0.00 179.97 179.97 2pqe s THR 82 N -3.17 -0.51 0.16 0.20 -4.23 -1.25 -1.01 115.64 105.83 2pqe s THR 82 Ca 0.02 -0.04 -0.17 0.00 -1.18 0.00 0.00 61.69 60.31 2pqe s THR 82 Cb 0.08 -0.74 0.06 0.00 1.34 0.00 0.00 72.50 73.24 2pqe s THR 82 CO 0.76 -0.12 1.69 -0.78 -0.54 0.00 0.00 174.62 175.63 2pqe h ASP 83 N 8.23 -0.21 0.00 3.99 3.58 -1.86 -3.46 116.42 126.69 2pqe h ASP 83 Ca -0.18 0.09 0.00 0.00 0.42 0.00 0.00 57.03 57.36 2pqe h ASP 83 Cb 1.15 0.18 0.00 0.00 1.72 0.00 0.00 39.33 42.37 2pqe h ASP 83 CO 0.26 -0.07 0.00 2.29 -2.88 0.00 0.00 179.24 178.84 2pqe n LYS 84 N -5.22 0.00 -1.06 0.28 2.85 -1.26 -4.97 118.16 108.78 2pqe n LYS 84 Ca 0.02 0.00 -0.24 0.00 -1.05 0.00 0.00 58.31 57.04 2pqe n LYS 84 Cb 0.20 0.00 0.07 0.00 -0.65 0.00 0.00 35.03 34.65 2pqe n LYS 84 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 2pqe n TYR 85 N -0.49 2.32 -2.55 5.58 4.01 -1.26 -4.83 117.16 119.94 2pqe n TYR 85 Ca 0.00 -2.29 -0.17 0.00 -0.16 0.00 0.00 57.90 55.28 2pqe n TYR 85 Cb 0.00 -1.11 -0.00 0.00 -0.31 0.00 0.00 39.34 37.92 2pqe n TYR 85 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2pqe n GLY 86 N -0.34 -0.50 3.62 2.72 0.00 -1.26 -4.91 105.19 104.52 2pqe n GLY 86 Ca 0.45 0.02 -0.43 0.00 0.00 0.00 0.00 46.02 46.06 2pqe n GLY 86 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2pqe s ARG 87 N -5.17 3.94 -0.98 1.61 1.81 -1.26 -4.58 118.95 114.31 2pqe s ARG 87 Ca 0.06 0.79 -0.26 0.00 -1.72 0.00 0.00 55.73 54.59 2pqe s ARG 87 Cb -0.03 -3.78 -0.21 0.00 -0.45 0.00 0.00 34.95 30.49 2pqe s ARG 87 CO 0.07 -0.94 2.19 0.41 -0.68 0.00 0.00 175.30 176.36 2pqe n GLY 88 N 4.19 -0.37 3.66 -3.53 0.00 0.30 -3.79 105.19 105.64 2pqe n GLY 88 Ca 0.09 0.15 -0.42 0.00 0.00 0.00 0.00 46.02 45.84 2pqe n GLY 88 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2pqe s LEU 89 N 16.38 4.40 0.00 0.99 1.43 -0.18 -0.81 118.68 140.89 2pqe s LEU 89 Ca 0.84 2.59 0.00 0.00 -1.03 0.00 0.00 54.13 56.54 2pqe s LEU 89 Cb -0.08 -3.53 0.00 0.00 0.03 0.00 0.00 46.19 42.61 2pqe s LEU 89 CO 0.16 -1.06 0.00 0.00 0.23 0.00 0.00 176.35 175.68 2pqe n ALA 90 N 7.58 0.00 -1.76 4.21 0.00 0.38 -4.66 120.51 126.26 2pqe n ALA 90 Ca 0.20 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.24 2pqe n ALA 90 Cb 0.41 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.80 2pqe n ALA 90 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 2pqe s TYR 91 N -2.00 3.92 -0.11 0.00 1.51 -0.61 -1.98 117.35 118.08 2pqe s TYR 91 Ca 0.00 1.89 -0.07 0.00 -1.01 0.00 0.00 57.07 57.88 2pqe s TYR 91 Cb 0.00 -2.98 -0.04 0.00 -0.11 0.00 0.00 41.96 38.83 2pqe s TYR 91 CO 0.00 0.38 0.15 0.42 -1.11 0.00 0.00 175.55 175.39 2pqe s ILE 92 N -1.27 5.49 -0.06 2.71 -1.09 -1.26 -2.15 121.20 123.57 2pqe s ILE 92 Ca 0.43 0.18 0.01 0.00 -2.23 0.00 0.00 60.65 59.04 2pqe s ILE 92 Cb -0.25 -3.42 0.02 0.00 -1.58 0.00 0.00 42.46 37.23 2pqe s ILE 92 CO 0.31 0.59 -0.07 -0.31 -1.23 0.00 0.00 174.94 174.22 2pqe s TYR 93 N -1.06 1.07 -0.18 3.97 2.02 0.30 -2.35 117.35 121.12 2pqe s TYR 93 Ca 0.16 -0.39 -0.02 0.00 -0.37 0.00 0.00 57.07 56.46 2pqe s TYR 93 Cb -0.12 -0.89 -0.01 0.00 -0.40 0.00 0.00 41.96 40.54 2pqe s TYR 93 CO 0.06 -0.28 -0.09 0.00 -1.57 0.00 0.00 175.55 173.67 2pqe s ALA 94 N 1.07 2.70 -1.80 3.71 0.00 0.55 0.65 121.76 128.65 2pqe s ALA 94 Ca -0.08 -1.06 -0.19 0.00 0.00 0.00 0.00 51.96 50.63 2pqe s ALA 94 Cb -0.14 -1.47 0.18 0.00 0.00 0.00 0.00 23.12 21.69 2pqe s ALA 94 CO -0.01 -0.16 0.51 -3.47 0.00 0.00 0.00 175.76 172.63 2pqe n ASP 95 N 4.29 -1.47 -0.08 0.00 -0.08 0.29 0.17 116.55 119.66 2pqe n ASP 95 Ca -0.18 -1.22 -0.01 0.00 -1.51 0.00 0.00 54.79 51.86 2pqe n ASP 95 Cb 0.51 -1.76 -0.00 0.00 2.34 0.00 0.00 41.12 42.21 2pqe n ASP 95 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2pqe n GLY 96 N -1.39 0.44 3.39 0.27 0.00 -1.26 -5.04 105.19 101.60 2pqe n GLY 96 Ca 0.03 -1.03 -0.31 0.00 0.00 0.00 0.00 46.02 44.70 2pqe n GLY 96 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2pqe s LYS 97 N -2.28 2.21 -0.44 1.61 2.47 0.44 -5.09 119.74 118.67 2pqe s LYS 97 Ca 0.00 -0.87 -0.25 0.00 -1.56 0.00 0.00 55.97 53.29 2pqe s LYS 97 Cb 0.00 -2.17 0.02 0.00 -1.46 0.00 0.00 37.83 34.22 2pqe s LYS 97 CO 0.00 0.58 0.91 1.41 0.16 0.00 0.00 175.35 178.40 2pqe s MET 98 N -0.82 3.60 0.21 4.03 1.75 -1.26 -0.33 119.30 126.47 2pqe s MET 98 Ca 0.11 0.24 0.00 0.00 -1.25 0.00 0.00 55.69 54.79 2pqe s MET 98 Cb -0.10 -3.90 0.16 0.00 2.84 0.00 0.00 34.83 33.83 2pqe s MET 98 CO 0.01 -1.14 1.51 0.28 -0.65 0.00 0.00 175.02 175.02 2pqe h VAL 99 N 6.01 1.36 -0.26 10.11 2.07 -1.85 -1.22 116.25 132.47 2pqe h VAL 99 Ca -0.24 -1.96 -0.01 0.00 0.82 0.00 0.00 66.70 65.31 2pqe h VAL 99 Cb 1.08 1.95 -0.01 0.00 -1.52 0.00 0.00 31.29 32.79 2pqe h VAL 99 CO 1.01 0.59 0.13 -0.55 0.02 0.00 0.00 177.57 178.77 2pqe h ASN 100 N 0.28 0.34 0.35 0.57 -1.07 -1.91 -0.81 115.58 113.32 2pqe h ASN 100 Ca -0.01 -0.11 -0.24 0.00 0.07 0.00 0.00 56.30 56.01 2pqe h ASN 100 Cb 1.15 -0.09 0.01 0.00 -2.07 0.00 0.00 38.32 37.32 2pqe h ASN 100 CO 0.10 0.36 -1.00 1.05 0.07 0.00 0.00 177.43 178.01 2pqe h GLU 101 N 0.29 0.42 -0.44 4.14 -0.00 -1.94 -2.72 114.58 114.33 2pqe h GLU 101 Ca 0.09 -0.48 -0.00 0.00 -0.00 0.00 0.00 59.36 58.97 2pqe h GLU 101 Cb 0.10 0.14 -0.02 0.00 -0.00 0.00 0.00 28.75 28.98 2pqe h GLU 101 CO -0.01 1.15 0.26 0.00 -0.00 0.00 0.00 179.01 180.41 2pqe h ALA 102 N 0.68 0.56 0.10 1.06 0.00 -1.12 0.83 119.26 121.37 2pqe h ALA 102 Ca -0.10 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 2pqe h ALA 102 Cb 1.65 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.27 2pqe h ALA 102 CO 0.17 0.05 -0.05 -0.07 0.00 0.00 0.00 179.25 179.36 2pqe h LEU 103 N 0.58 -0.11 -0.46 0.00 3.38 -1.21 -1.82 115.31 115.67 2pqe h LEU 103 Ca 0.16 -0.28 -0.02 0.00 0.09 0.00 0.00 57.88 57.83 2pqe h LEU 103 Cb 0.00 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 2pqe h LEU 103 CO -0.03 0.23 0.20 0.58 0.09 0.00 0.00 178.44 179.51 2pqe h VAL 104 N -0.46 1.19 -0.13 1.22 2.07 -1.40 0.81 116.25 119.55 2pqe h VAL 104 Ca -0.01 -0.58 0.03 0.00 0.82 0.00 0.00 66.70 66.96 2pqe h VAL 104 Cb 0.39 0.73 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 2pqe h VAL 104 CO 0.02 0.22 0.09 -0.09 0.02 0.00 0.00 177.57 177.83 2pqe h ARG 105 N 0.59 0.04 0.00 1.57 2.43 0.70 -1.62 114.38 118.09 2pqe h ARG 105 Ca 0.15 -0.00 -0.24 0.00 -0.81 0.00 0.00 59.98 59.09 2pqe h ARG 105 Cb 0.16 -0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 29.65 2pqe h ARG 105 CO -0.02 0.03 -1.60 1.04 -1.51 0.00 0.00 179.97 177.92 2pqe n GLN 106 N -4.51 0.63 0.00 0.20 1.13 -0.69 -4.79 117.38 109.36 2pqe n GLN 106 Ca -0.00 0.25 0.00 0.00 -1.94 0.00 0.00 57.00 55.31 2pqe n GLN 106 Cb 0.18 -1.79 0.00 0.00 0.11 0.00 0.00 30.24 28.74 2pqe n GLN 106 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2pqe n GLY 107 N 1.49 0.98 0.00 1.08 0.00 0.22 -4.21 105.19 104.75 2pqe n GLY 107 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.88 2pqe n GLY 107 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2pqe n LEU 108 N 0.00 0.00 -4.51 0.99 7.99 0.20 -0.84 117.00 120.83 2pqe n LEU 108 Ca 0.00 0.00 -0.33 0.00 -0.01 0.00 0.00 56.01 55.67 2pqe n LEU 108 Cb 0.00 0.00 -0.12 0.00 -0.11 0.00 0.00 43.42 43.19 2pqe n LEU 108 CO 0.00 0.00 -0.41 0.00 -1.51 0.00 0.00 177.39 175.47 2pqe s ALA 109 N -1.96 2.84 0.04 -1.18 0.00 -1.18 -4.58 121.76 115.75 2pqe s ALA 109 Ca 0.00 -0.91 0.00 0.00 0.00 0.00 0.00 51.96 51.06 2pqe s ALA 109 Cb 0.00 -1.19 -0.04 0.00 0.00 0.00 0.00 23.12 21.89 2pqe s ALA 109 CO 0.00 0.48 0.13 0.21 0.00 0.00 0.00 175.76 176.58 2pqe s LYS 110 N -0.48 3.17 -0.35 0.00 2.36 0.53 -4.17 119.74 120.80 2pqe s LYS 110 Ca 0.07 -0.51 -0.29 0.00 -2.55 0.00 0.00 55.97 52.69 2pqe s LYS 110 Cb -0.12 -2.90 -0.01 0.00 -1.05 0.00 0.00 37.83 33.75 2pqe s LYS 110 CO 0.02 0.61 1.67 0.08 1.55 0.00 0.00 175.35 179.29 2pqe s VAL 111 N -1.37 3.61 0.71 4.02 1.01 -1.26 0.11 120.40 127.24 2pqe s VAL 111 Ca 0.29 0.63 -0.09 0.00 0.00 0.00 0.00 61.98 62.81 2pqe s VAL 111 Cb -0.12 -3.81 0.05 0.00 0.00 0.00 0.00 36.38 32.49 2pqe s VAL 111 CO 0.21 -0.51 1.05 0.00 0.00 0.00 0.00 175.10 175.86 2pqe s ALA 112 N 6.35 3.00 -0.36 5.51 0.00 -1.02 -4.88 121.76 130.36 2pqe s ALA 112 Ca 0.74 -0.70 0.03 0.00 0.00 0.00 0.00 51.96 52.03 2pqe s ALA 112 Cb -0.20 -2.78 0.11 0.00 0.00 0.00 0.00 23.12 20.25 2pqe s ALA 112 CO 0.33 -1.28 0.09 0.71 0.00 0.00 0.00 175.76 175.62 2pqe s TYR 113 N -3.31 3.24 0.75 0.00 1.51 -1.26 -4.70 117.35 113.58 2pqe s TYR 113 Ca 0.59 -2.77 -0.11 0.00 -1.01 0.00 0.00 57.07 53.77 2pqe s TYR 113 Cb -0.11 -2.65 0.04 0.00 -0.11 0.00 0.00 41.96 39.14 2pqe s TYR 113 CO 0.47 -0.90 1.09 0.54 -1.11 0.00 0.00 175.55 175.64 2pqe s VAL 114 N 0.86 3.40 0.08 0.71 0.11 -1.26 -4.97 120.40 119.34 2pqe s VAL 114 Ca 0.12 0.48 -0.27 0.00 -2.93 0.00 0.00 61.98 59.37 2pqe s VAL 114 Cb -0.20 -3.00 -0.17 0.00 -1.53 0.00 0.00 36.38 31.49 2pqe s VAL 114 CO -0.10 -0.57 1.69 1.88 -3.33 0.00 0.00 175.10 174.67 2pqe h TYR 115 N -0.92 -0.39 0.00 1.54 0.05 -1.99 -3.48 116.97 111.78 2pqe h TYR 115 Ca -0.44 -0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.33 2pqe h TYR 115 Cb 1.23 0.13 0.00 0.00 1.01 0.00 0.00 36.73 39.10 2pqe h TYR 115 CO 0.58 -0.24 0.00 1.63 -1.05 0.00 0.00 178.16 179.08 2pqe n LYS 116 N -5.27 0.00 0.00 4.88 5.02 -1.26 -5.02 118.16 116.51 2pqe n LYS 116 Ca -0.10 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.19 2pqe n LYS 116 Cb 0.19 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.20 2pqe n LYS 116 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2pqe n GLY 117 N -0.40 2.67 3.18 0.72 0.00 -1.26 -3.87 105.19 106.24 2pqe n GLY 117 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 2pqe n GLY 117 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2pqe s ASN 118 N 0.54 5.74 -0.17 1.61 3.04 -1.26 -2.58 114.94 121.86 2pqe s ASN 118 Ca 0.00 -2.57 0.09 0.00 0.04 0.00 0.00 52.86 50.42 2pqe s ASN 118 Cb 0.00 -1.98 0.25 0.00 -1.54 0.00 0.00 41.25 37.98 2pqe s ASN 118 CO 0.00 -0.50 1.27 0.59 -3.04 0.00 0.00 177.10 175.42 2pqe n ASN 119 N 3.98 -0.94 0.04 -4.21 4.13 -1.26 -4.76 115.26 112.24 2pqe n ASN 119 Ca 0.05 -2.10 -0.09 0.00 1.68 0.00 0.00 54.58 54.12 2pqe n ASN 119 Cb 0.41 0.40 -0.13 0.00 -1.54 0.00 0.00 39.78 38.92 2pqe n ASN 119 CO 0.00 0.00 0.00 0.74 0.28 0.00 0.00 177.26 178.28 2pqe h THR 120 N 4.69 1.41 -0.52 3.41 2.02 -1.88 -3.29 112.91 118.75 2pqe h THR 120 Ca -0.47 -3.14 -0.00 0.00 0.77 0.00 0.00 66.41 63.57 2pqe h THR 120 Cb 1.38 2.74 -0.00 0.00 -1.74 0.00 0.00 68.15 70.53 2pqe h THR 120 CO -0.19 0.83 0.00 1.41 0.37 0.00 0.00 175.52 177.95 2pqe n HIS 121 N -3.31 1.90 0.34 3.16 8.25 -1.26 -4.50 115.22 119.80 2pqe n HIS 121 Ca -0.07 -0.77 0.22 0.00 -0.26 0.00 0.00 57.72 56.84 2pqe n HIS 121 Cb 0.99 -0.49 1.16 0.00 1.12 0.00 0.00 29.99 32.77 2pqe n HIS 121 CO 0.00 0.00 0.00 1.49 0.64 0.00 0.00 176.34 178.47 2pqe h GLU 122 N 3.60 0.00 0.06 -0.41 4.81 -1.94 -0.26 114.58 120.45 2pqe h GLU 122 Ca 0.00 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2pqe h GLU 122 Cb 1.91 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.29 2pqe h GLU 122 CO 0.45 0.00 -0.03 -0.56 -0.73 0.00 0.00 179.01 178.14 2pqe h GLN 123 N 0.00 -0.08 -0.15 1.92 -0.00 -1.88 -2.66 115.11 112.26 2pqe h GLN 123 Ca 0.00 0.01 -0.13 0.00 -0.00 0.00 0.00 58.65 58.53 2pqe h GLN 123 Cb 0.10 0.02 -0.01 0.00 -0.00 0.00 0.00 27.48 27.58 2pqe h GLN 123 CO -0.00 0.50 -0.47 1.37 -0.00 0.00 0.00 178.83 180.23 2pqe h LEU 124 N -0.89 0.40 0.16 0.06 8.10 -1.82 -1.99 115.31 119.33 2pqe h LEU 124 Ca -0.01 -0.19 -0.01 0.00 0.11 0.00 0.00 57.88 57.78 2pqe h LEU 124 Cb 0.62 -0.11 0.00 0.00 -0.44 0.00 0.00 40.66 40.72 2pqe h LEU 124 CO 0.01 0.81 -0.08 -0.07 -4.11 0.00 0.00 178.44 175.01 2pqe h LEU 125 N 0.30 -0.18 -1.27 0.17 3.38 -1.17 -0.46 115.31 116.08 2pqe h LEU 125 Ca 0.02 -0.13 -0.06 0.00 0.09 0.00 0.00 57.88 57.80 2pqe h LEU 125 Cb 0.94 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.72 2pqe h LEU 125 CO 0.08 0.02 -0.16 0.08 0.09 0.00 0.00 178.44 178.55 2pqe h ARG 126 N -0.38 0.30 0.07 1.13 0.11 -1.48 -1.87 114.38 112.25 2pqe h ARG 126 Ca -0.02 -0.08 -0.00 0.00 0.10 0.00 0.00 59.98 59.97 2pqe h ARG 126 Cb 0.30 -0.03 0.00 0.00 1.11 0.00 0.00 29.97 31.35 2pqe h ARG 126 CO 0.04 0.46 -0.03 0.87 0.10 0.00 0.00 179.97 181.41 2pqe h LYS 127 N 0.28 -0.09 -0.24 0.08 6.56 -1.16 0.12 116.57 122.11 2pqe h LYS 127 Ca 0.05 0.01 -0.02 0.00 -1.06 0.00 0.00 60.65 59.62 2pqe h LYS 127 Cb 0.46 0.02 -0.01 0.00 -0.57 0.00 0.00 32.23 32.12 2pqe h LYS 127 CO 0.03 0.24 0.04 0.77 -2.06 0.00 0.00 179.45 178.48 2pqe h SER 128 N -0.43 0.32 -0.04 0.86 0.02 -0.96 -1.53 113.55 111.78 2pqe h SER 128 Ca -0.01 -0.04 -0.11 0.00 -0.84 0.00 0.00 61.79 60.80 2pqe h SER 128 Cb 0.37 -0.08 0.01 0.00 0.14 0.00 0.00 62.40 62.84 2pqe h SER 128 CO 0.02 0.34 -0.39 -0.08 -1.14 0.00 0.00 176.83 175.57 2pqe h GLU 129 N 0.35 0.33 -0.75 3.45 4.81 -1.22 -2.53 114.58 119.02 2pqe h GLU 129 Ca 0.08 -0.31 0.02 0.00 -0.13 0.00 0.00 59.36 59.03 2pqe h GLU 129 Cb 0.16 0.08 -0.04 0.00 0.63 0.00 0.00 28.75 29.58 2pqe h GLU 129 CO -0.00 0.98 0.48 0.00 -0.73 0.00 0.00 179.01 179.73 2pqe h ALA 130 N 0.36 0.97 -0.51 2.92 0.00 -0.48 0.31 119.26 122.82 2pqe h ALA 130 Ca -0.04 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 2pqe h ALA 130 Cb 1.08 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 2pqe h ALA 130 CO 0.08 0.30 0.05 1.96 0.00 0.00 0.00 179.25 181.64 2pqe h GLN 131 N 0.95 0.87 -0.04 0.00 1.08 -1.35 0.54 115.11 117.17 2pqe h GLN 131 Ca 0.29 -0.25 -0.12 0.00 -1.45 0.00 0.00 58.65 57.12 2pqe h GLN 131 Cb -0.03 -0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 27.29 2pqe h GLN 131 CO -0.09 0.88 -0.53 0.00 -0.95 0.00 0.00 178.83 178.13 2pqe h ALA 132 N 0.96 1.04 0.03 3.87 0.00 -0.99 -2.34 119.26 121.83 2pqe h ALA 132 Ca 0.15 -0.49 -0.00 0.00 0.00 0.00 0.00 54.91 54.57 2pqe h ALA 132 Cb 0.45 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.16 2pqe h ALA 132 CO 0.02 0.67 -0.01 -0.22 0.00 0.00 0.00 179.25 179.70 2pqe h LYS 133 N 0.09 -0.03 -0.92 0.00 3.11 -0.16 0.40 116.57 119.05 2pqe h LYS 133 Ca -0.00 0.00 0.04 0.00 -2.81 0.00 0.00 60.65 57.88 2pqe h LYS 133 Cb 0.96 0.01 -0.06 0.00 -1.00 0.00 0.00 32.23 32.14 2pqe h LYS 133 CO 0.07 0.65 0.60 1.57 -2.81 0.00 0.00 179.45 179.53 2pqe h LYS 134 N -0.78 1.10 0.00 1.90 2.10 -0.93 -2.12 116.57 117.83 2pqe h LYS 134 Ca -0.00 -0.07 0.00 0.00 -2.00 0.00 0.00 60.65 58.58 2pqe h LYS 134 Cb 0.70 -0.25 0.00 0.00 -0.90 0.00 0.00 32.23 31.78 2pqe h LYS 134 CO 0.01 0.73 -0.70 0.93 -2.00 0.00 0.00 179.45 178.41 2pqe h GLU 135 N 1.13 0.00 -5.31 0.07 5.08 -1.51 -3.49 114.58 110.56 2pqe h GLU 135 Ca 0.38 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 58.51 2pqe h GLU 135 Cb 0.05 0.00 0.18 0.00 0.50 0.00 0.00 28.75 29.49 2pqe h GLU 135 CO -0.14 0.00 -0.79 1.63 -1.00 0.00 0.00 179.01 178.71 2pqe n LYS 136 N -2.77 -2.10 0.00 2.33 4.76 0.13 -4.98 118.16 115.53 2pqe n LYS 136 Ca 0.01 0.84 0.00 0.00 -2.87 0.00 0.00 58.31 56.29 2pqe n LYS 136 Cb 0.54 -5.60 0.00 0.00 -1.84 0.00 0.00 35.03 28.13 2pqe n LYS 136 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 2pqe n LEU 137 N -3.10 0.12 0.00 -0.35 4.77 -0.56 -4.46 117.00 113.42 2pqe n LEU 137 Ca -0.06 0.66 0.00 0.00 -0.03 0.00 0.00 56.01 56.58 2pqe n LEU 137 Cb 0.61 -0.20 0.00 0.00 -2.33 0.00 0.00 43.42 41.50 2pqe n LEU 137 CO 0.56 -0.20 0.00 0.59 -1.33 0.00 0.00 177.39 177.01 2pqe n ASN 138 N -1.09 0.00 -0.34 -1.43 5.03 -1.26 -4.72 115.26 111.44 2pqe n ASN 138 Ca 0.00 0.00 0.16 0.00 0.87 0.00 0.00 54.58 55.61 2pqe n ASN 138 Cb 0.00 0.00 0.38 0.00 -1.02 0.00 0.00 39.78 39.14 2pqe n ASN 138 CO 0.00 0.00 0.00 0.16 -1.83 0.00 0.00 177.26 175.59 2pqe h ILE 139 N 0.00 0.61 -0.97 2.41 3.07 -1.31 0.32 117.51 121.64 2pqe h ILE 139 Ca 0.00 -0.22 -0.54 0.00 1.55 0.00 0.00 64.86 65.65 2pqe h ILE 139 Cb 0.00 -0.08 -0.30 0.00 -0.27 0.00 0.00 36.82 36.18 2pqe h ILE 139 CO 0.00 0.12 0.70 0.79 -1.05 0.00 0.00 178.15 178.70 2pqe n TRP 140 N -4.80 3.03 -1.96 0.16 5.03 -1.26 -4.38 117.44 113.27 2pqe n TRP 140 Ca 0.25 -2.11 -0.16 0.00 3.03 0.00 0.00 57.50 58.51 2pqe n TRP 140 Cb 0.69 -1.06 0.06 0.00 -1.03 0.00 0.00 31.31 29.97 2pqe n TRP 140 CO 0.00 0.00 0.00 0.45 -0.03 0.00 0.00 177.69 178.11 2pqe n SER 141 N -1.04 4.06 -1.14 -0.99 2.88 0.11 -4.23 113.62 113.27 2pqe n SER 141 Ca 0.59 -3.71 -0.06 0.00 -1.33 0.00 0.00 58.87 54.36 2pqe n SER 141 Cb 1.39 -0.39 -0.05 0.00 -0.75 0.00 0.00 64.21 64.42 2pqe n SER 141 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 2pqe n GLU 142 N -0.79 0.10 -1.20 -1.46 -0.00 -1.26 -4.95 120.64 111.07 2pqe n GLU 142 Ca 0.37 -1.08 -0.28 0.00 -0.00 0.00 0.00 57.16 56.17 2pqe n GLU 142 Cb 0.90 0.46 0.10 0.00 -0.00 0.00 0.00 31.44 32.90 2pqe n GLU 142 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.13 173.66 2pqe n ASP 143 N -0.08 6.28 -3.59 -1.84 2.03 -1.26 -4.85 116.55 113.24 2pqe n ASP 143 Ca -0.25 -3.59 0.01 0.00 0.52 0.00 0.00 54.79 51.48 2pqe n ASP 143 Cb 0.74 -0.94 -0.06 0.00 -0.72 0.00 0.00 41.12 40.14 2pqe n ASP 143 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 2pqe s ASN 144 N -1.33 -0.21 0.00 1.67 3.84 -1.26 -5.08 114.94 112.57 2pqe s ASN 144 Ca 0.56 0.33 0.00 0.00 0.21 0.00 0.00 52.86 53.96 2pqe s ASN 144 Cb 0.45 1.11 0.00 0.00 -0.55 0.00 0.00 41.25 42.26 2pqe s ASN 144 CO 0.03 -0.05 0.00 0.00 -2.79 0.00 0.00 177.10 174.28 2pqe n ALA 145 N 3.48 2.74 -2.61 1.71 0.00 -1.26 -5.13 120.51 119.43 2pqe n ALA 145 Ca -0.16 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.00 2pqe n ALA 145 Cb 0.56 0.20 -0.09 0.00 0.00 0.00 0.00 19.45 20.13 2pqe n ALA 145 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2pqe s ASP 146 N -4.59 3.37 -0.19 0.00 1.01 -1.26 -5.07 116.67 109.94 2pqe s ASP 146 Ca 0.00 -1.60 0.13 0.00 0.71 0.00 0.00 52.55 51.79 2pqe s ASP 146 Cb 0.00 0.34 0.43 0.00 1.01 0.00 0.00 42.92 44.70 2pqe s ASP 146 CO 0.00 -0.81 1.20 -1.54 0.21 0.00 0.00 175.17 174.23 2pqe n SER 147 N -1.18 2.15 0.00 0.27 3.41 -1.26 -5.06 113.62 111.95 2pqe n SER 147 Ca -0.10 -3.50 0.00 0.00 -0.26 0.00 0.00 58.87 55.00 2pqe n SER 147 Cb 0.66 -0.46 0.00 0.00 -0.26 0.00 0.00 64.21 64.15 2pqe n SER 147 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2pqe n GLY 148 N -0.78 2.13 3.97 5.00 0.00 -1.26 -5.34 105.19 108.91 2pqe n GLY 148 Ca 0.21 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.14 2pqe n GLY 148 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26