#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pqe s THR 2 N 0.00 4.66 0.48 0.00 -4.23 -1.26 -5.05 115.64 110.24 2pqe s THR 2 Ca 0.00 1.91 0.07 0.00 -1.18 0.00 0.00 61.69 62.49 2pqe s THR 2 Cb 0.00 -4.23 0.00 0.00 1.34 0.00 0.00 72.50 69.62 2pqe s THR 2 CO 0.00 0.12 0.36 -0.55 -0.54 0.00 0.00 174.62 174.01 2pqe s SER 3 N 1.06 4.75 0.00 3.99 0.15 -1.26 -5.08 113.70 117.32 2pqe s SER 3 Ca 0.53 -1.03 0.00 0.00 0.70 0.00 0.00 55.95 56.15 2pqe s SER 3 Cb -0.22 -0.10 0.00 0.00 -1.71 0.00 0.00 66.02 63.99 2pqe s SER 3 CO 0.26 -0.85 0.00 0.35 1.20 0.00 0.00 173.24 174.21 2pqe n THR 4 N -1.60 0.00 -3.75 6.45 -2.24 -1.26 -4.92 114.28 106.96 2pqe n THR 4 Ca 0.01 0.00 -0.28 0.00 -2.27 0.00 0.00 64.05 61.51 2pqe n THR 4 Cb 0.63 -1.31 -0.11 0.00 -2.10 0.00 0.00 70.33 67.44 2pqe n THR 4 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2pqe n LYS 5 N -2.90 1.83 -3.23 -0.78 5.02 -1.26 -4.98 118.16 111.85 2pqe n LYS 5 Ca 0.00 -4.40 -0.37 0.00 -2.02 0.00 0.00 58.31 51.52 2pqe n LYS 5 Cb 0.48 -2.21 -0.03 0.00 -0.02 0.00 0.00 35.03 33.25 2pqe n LYS 5 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2pqe n LYS 6 N 1.78 3.57 -2.69 1.97 4.76 -1.26 -4.88 118.16 121.40 2pqe n LYS 6 Ca 0.23 -4.59 -0.01 0.00 -2.87 0.00 0.00 58.31 51.07 2pqe n LYS 6 Cb 0.38 -2.41 -0.01 0.00 -1.84 0.00 0.00 35.03 31.14 2pqe n LYS 6 CO 0.00 0.00 0.00 -0.11 -1.37 0.00 0.00 177.40 175.92 2pqe n LEU 7 N 1.32 -7.64 -4.82 -0.35 -0.00 -1.26 -5.00 117.00 99.26 2pqe n LEU 7 Ca 0.27 1.65 -0.29 0.00 -0.00 0.00 0.00 56.01 57.64 2pqe n LEU 7 Cb 0.36 -3.36 0.11 0.00 -0.00 0.00 0.00 43.42 40.53 2pqe n LEU 7 CO 0.57 -3.45 0.73 -1.38 -0.00 0.00 0.00 177.39 173.86 2pqe s HIS 8 N -1.42 2.75 0.47 1.96 -3.43 -1.26 -4.92 115.29 109.44 2pqe s HIS 8 Ca -0.07 0.94 -0.19 0.00 -0.80 0.00 0.00 55.06 54.94 2pqe s HIS 8 Cb 0.00 -3.30 -0.10 0.00 -1.43 0.00 0.00 32.58 27.76 2pqe s HIS 8 CO 0.79 -1.99 0.97 -1.59 -2.00 0.00 0.00 174.74 170.93 2pqe s LYS 9 N -5.30 4.08 -0.30 -0.38 0.00 -1.26 -4.69 119.74 111.89 2pqe s LYS 9 Ca 0.62 1.07 -0.17 0.00 0.00 0.00 0.00 55.97 57.50 2pqe s LYS 9 Cb -0.14 -2.16 0.20 0.00 0.00 0.00 0.00 37.83 35.73 2pqe s LYS 9 CO 0.53 -0.16 1.21 -2.00 0.00 0.00 0.00 175.35 174.93 2pqe s GLU 10 N -3.54 0.11 0.00 1.78 2.12 0.11 -4.76 118.70 114.52 2pqe s GLU 10 Ca 0.61 0.20 0.00 0.00 0.36 0.00 0.00 54.97 56.14 2pqe s GLU 10 Cb -0.10 0.05 0.00 0.00 0.26 0.00 0.00 34.13 34.34 2pqe s GLU 10 CO 0.21 -0.03 0.00 0.00 -0.54 0.00 0.00 175.26 174.90 2pqe n ALA 11 N 3.54 0.28 0.00 6.30 0.00 -1.25 -2.36 120.51 127.01 2pqe n ALA 11 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.29 2pqe n ALA 11 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.01 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 -3.56 0.00 0.00 -0.99 -4.21 120.51 108.74 2pqe n ALA 12 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.29 2pqe n ALA 12 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 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 0.00 0.17 0.00 2.01 -1.05 -4.26 115.64 112.50 2pqe s THR 13 Ca 0.00 0.00 -0.27 0.00 0.31 0.00 0.00 61.69 61.73 2pqe s THR 13 Cb 0.00 -1.00 -0.08 0.00 0.01 0.00 0.00 72.50 71.43 2pqe s THR 13 CO 0.00 0.00 0.83 -0.22 -0.69 0.00 0.00 174.62 174.54 2pqe s LEU 14 N -0.74 4.59 -0.20 4.42 1.98 -1.26 0.16 118.68 127.63 2pqe s LEU 14 Ca -0.06 1.72 -0.16 0.00 -2.89 0.00 0.00 54.13 52.74 2pqe s LEU 14 Cb -0.02 -3.38 -0.07 0.00 0.66 0.00 0.00 46.19 43.38 2pqe s LEU 14 CO 0.05 0.17 -0.34 -0.38 -1.89 0.00 0.00 176.35 173.96 2pqe n ILE 15 N 1.73 1.48 -3.36 6.68 -0.00 0.22 -4.84 119.36 121.27 2pqe n ILE 15 Ca -0.04 -0.01 0.02 0.00 -0.00 0.00 0.00 62.75 62.72 2pqe n ILE 15 Cb 0.48 -2.18 -0.04 0.00 -0.00 0.00 0.00 39.64 37.90 2pqe n ILE 15 CO 0.00 0.00 0.00 -0.54 -0.00 0.00 0.00 176.55 176.01 2pqe s LYS 16 N -2.76 0.19 0.56 0.38 -0.14 -1.03 -5.03 119.74 111.92 2pqe s LYS 16 Ca -0.31 0.46 -0.17 0.00 -1.36 0.00 0.00 55.97 54.59 2pqe s LYS 16 Cb 0.07 0.25 -0.05 0.00 -1.68 0.00 0.00 37.83 36.42 2pqe s LYS 16 CO 0.43 -0.06 1.06 0.00 -0.76 0.00 0.00 175.35 176.01 2pqe s ALA 17 N 2.14 2.77 -0.06 5.17 0.00 -1.26 -1.65 121.76 128.87 2pqe s ALA 17 Ca -0.02 0.48 0.06 0.00 0.00 0.00 0.00 51.96 52.48 2pqe s ALA 17 Cb -0.04 -3.25 -0.09 0.00 0.00 0.00 0.00 23.12 19.75 2pqe s ALA 17 CO -0.16 -0.67 0.04 -0.89 0.00 0.00 0.00 175.76 174.07 2pqe n ILE 18 N -1.69 0.43 -1.63 0.00 5.41 -0.16 -4.84 119.36 116.89 2pqe n ILE 18 Ca 0.09 -0.28 0.00 0.00 1.00 0.00 0.00 62.75 63.56 2pqe n ILE 18 Cb 0.53 -0.71 0.00 0.00 -0.71 0.00 0.00 39.64 38.74 2pqe n ILE 18 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 2pqe n ASP 19 N -2.21 0.00 0.01 4.38 -0.08 0.57 -4.99 116.55 114.23 2pqe n ASP 19 Ca -0.10 0.00 -0.17 0.00 -1.51 0.00 0.00 54.79 53.01 2pqe n ASP 19 Cb 0.68 0.00 -0.14 0.00 2.34 0.00 0.00 41.12 44.00 2pqe n ASP 19 CO 0.00 0.00 0.00 1.23 0.12 0.00 0.00 177.20 178.55 2pqe h GLY 20 N 0.00 0.21 -0.96 0.27 0.00 -1.70 -3.38 103.07 97.50 2pqe h GLY 20 Ca 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 47.33 46.79 2pqe h GLY 20 CO 0.00 0.47 0.00 2.09 0.00 0.00 0.00 176.54 179.10 2pqe n ASP 21 N -3.34 2.04 -3.88 0.19 5.75 -1.22 -4.72 116.55 111.37 2pqe n ASP 21 Ca -0.24 -1.52 -0.30 0.00 -0.01 0.00 0.00 54.79 52.72 2pqe n ASP 21 Cb 1.05 -0.02 -0.15 0.00 -1.03 0.00 0.00 41.12 40.97 2pqe n ASP 21 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 2pqe s THR 22 N -0.97 1.36 0.05 2.12 2.01 -1.26 -0.85 115.64 118.10 2pqe s THR 22 Ca 0.14 -1.36 0.03 0.00 0.31 0.00 0.00 61.69 60.81 2pqe s THR 22 Cb 0.10 -1.81 -0.03 0.00 0.01 0.00 0.00 72.50 70.77 2pqe s THR 22 CO 0.15 -0.34 -0.10 0.68 -0.69 0.00 0.00 174.62 174.32 2pqe s VAL 23 N 1.43 0.71 -0.50 3.82 -7.23 -0.11 -0.32 120.40 118.20 2pqe s VAL 23 Ca 0.01 -1.16 -0.21 0.00 -1.81 0.00 0.00 61.98 58.81 2pqe s VAL 23 Cb -0.18 -0.76 0.04 0.00 0.56 0.00 0.00 36.38 36.04 2pqe s VAL 23 CO -0.11 -0.35 0.74 -0.75 -0.31 0.00 0.00 175.10 174.32 2pqe s LYS 24 N -1.67 3.24 0.03 4.82 2.20 -0.66 0.12 119.74 127.83 2pqe s LYS 24 Ca -0.07 -0.52 0.04 0.00 -0.36 0.00 0.00 55.97 55.06 2pqe s LYS 24 Cb -0.10 -4.04 -0.04 0.00 -1.51 0.00 0.00 37.83 32.15 2pqe s LYS 24 CO 0.01 -1.25 -0.04 -1.17 -0.36 0.00 0.00 175.35 172.53 2pqe s LEU 25 N 3.15 3.29 -0.26 5.43 0.20 0.52 -0.61 118.68 130.40 2pqe s LEU 25 Ca 0.23 -0.15 -0.19 0.00 0.69 0.00 0.00 54.13 54.70 2pqe s LEU 25 Cb -0.15 -1.94 -0.02 0.00 -0.43 0.00 0.00 46.19 43.64 2pqe s LEU 25 CO 0.17 0.25 0.56 -0.32 -0.29 0.00 0.00 176.35 176.71 2pqe s MET 26 N -1.74 4.09 0.00 1.98 1.75 0.43 -0.42 119.30 125.39 2pqe s MET 26 Ca 0.20 0.42 0.07 0.00 -1.25 0.00 0.00 55.69 55.13 2pqe s MET 26 Cb -0.11 -3.65 -0.02 0.00 2.84 0.00 0.00 34.83 33.89 2pqe s MET 26 CO 0.11 -0.37 -0.22 -0.47 -0.65 0.00 0.00 175.02 173.42 2pqe s TYR 27 N 2.36 1.98 -0.43 4.11 5.04 0.31 -2.54 117.35 128.19 2pqe s TYR 27 Ca 0.23 -0.38 0.00 0.00 -2.44 0.00 0.00 57.07 54.48 2pqe s TYR 27 Cb -0.16 -1.25 0.00 0.00 0.35 0.00 0.00 41.96 40.90 2pqe s TYR 27 CO 0.09 0.01 0.00 0.36 -1.34 0.00 0.00 175.55 174.67 2pqe n LYS 28 N 2.32 -2.37 -0.56 4.97 2.85 -1.26 0.12 118.16 124.23 2pqe n LYS 28 Ca -0.16 0.24 0.00 0.00 -1.05 0.00 0.00 58.31 57.34 2pqe n LYS 28 Cb 0.52 -4.68 0.00 0.00 -0.65 0.00 0.00 35.03 30.22 2pqe n LYS 28 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2pqe n GLY 29 N -0.51 0.66 2.90 2.58 0.00 -1.26 -5.07 105.19 104.49 2pqe n GLY 29 Ca -0.05 -0.56 -0.16 0.00 0.00 0.00 0.00 46.02 45.25 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 -1.05 0.37 -0.57 1.61 -2.07 0.31 -5.11 119.66 113.14 2pqe s GLN 30 Ca 0.00 -0.07 -0.26 0.00 -1.82 0.00 0.00 55.36 53.21 2pqe s GLN 30 Cb 0.00 -0.41 0.04 0.00 -1.09 0.00 0.00 33.01 31.54 2pqe s GLN 30 CO 0.00 0.00 1.06 0.00 -1.32 0.00 0.00 175.29 175.03 2pqe s ALA 31 N 0.34 3.08 0.17 2.60 0.00 -1.26 0.12 121.76 126.80 2pqe s ALA 31 Ca -0.03 -1.10 0.11 0.00 0.00 0.00 0.00 51.96 50.93 2pqe s ALA 31 Cb -0.06 -3.88 -0.04 0.00 0.00 0.00 0.00 23.12 19.13 2pqe s ALA 31 CO -0.01 -2.55 -0.22 0.00 0.00 0.00 0.00 175.76 172.99 2pqe s MET 32 N 4.43 1.59 -0.43 0.00 0.00 0.44 -4.93 119.30 120.40 2pqe s MET 32 Ca 0.35 -1.43 -0.29 0.00 0.00 0.00 0.00 55.69 54.32 2pqe s MET 32 Cb -0.10 -1.92 0.03 0.00 0.00 0.00 0.00 34.83 32.83 2pqe s MET 32 CO 0.21 0.42 1.13 0.99 0.00 0.00 0.00 175.02 177.77 2pqe s THR 33 N -1.52 4.29 0.14 3.16 2.01 -1.26 -0.36 115.64 122.10 2pqe s THR 33 Ca 0.20 1.38 -0.04 0.00 0.31 0.00 0.00 61.69 63.54 2pqe s THR 33 Cb -0.09 -4.54 -0.05 0.00 0.01 0.00 0.00 72.50 67.83 2pqe s THR 33 CO 0.10 -0.84 0.37 -0.36 -0.69 0.00 0.00 174.62 173.19 2pqe s PHE 34 N 4.23 3.48 -0.05 4.92 0.40 0.33 -0.50 117.98 130.78 2pqe s PHE 34 Ca 0.47 0.51 0.01 0.00 -0.60 0.00 0.00 56.93 57.33 2pqe s PHE 34 Cb -0.09 -1.97 0.02 0.00 0.51 0.00 0.00 43.02 41.49 2pqe s PHE 34 CO 0.27 0.44 -0.07 1.03 0.70 0.00 0.00 175.22 177.59 2pqe s ARG 35 N -2.72 1.04 0.02 0.44 1.81 -1.01 -0.94 118.95 117.59 2pqe s ARG 35 Ca 0.40 -0.19 -0.31 0.00 -1.72 0.00 0.00 55.73 53.92 2pqe s ARG 35 Cb -0.12 -0.96 -0.10 0.00 -0.45 0.00 0.00 34.95 33.32 2pqe s ARG 35 CO 0.25 -0.04 1.96 1.28 -0.68 0.00 0.00 175.30 178.07 2pqe n LEU 36 N 3.93 4.05 -4.74 2.53 4.77 -0.03 -1.28 117.00 126.23 2pqe n LEU 36 Ca -0.25 0.92 -0.41 0.00 -0.03 0.00 0.00 56.01 56.24 2pqe n LEU 36 Cb 0.51 -1.50 -0.04 0.00 -2.33 0.00 0.00 43.42 40.06 2pqe n LEU 36 CO 0.24 0.16 0.77 -0.22 -1.33 0.00 0.00 177.39 177.01 2pqe s LEU 37 N 4.35 4.51 -1.66 2.23 0.20 -0.80 -3.39 118.68 124.12 2pqe s LEU 37 Ca 0.90 2.06 -0.02 0.00 0.69 0.00 0.00 54.13 57.75 2pqe s LEU 37 Cb -0.48 -3.60 0.00 0.00 -0.43 0.00 0.00 46.19 41.68 2pqe s LEU 37 CO 0.44 -0.17 0.21 0.18 -0.29 0.00 0.00 176.35 176.72 2pqe n LEU 38 N 2.28 -2.13 -3.94 -0.68 4.77 -1.26 -4.81 117.00 111.22 2pqe n LEU 38 Ca 0.02 -0.10 -0.09 0.00 -0.03 0.00 0.00 56.01 55.80 2pqe n LEU 38 Cb 0.46 -2.89 -0.10 0.00 -2.33 0.00 0.00 43.42 38.57 2pqe n LEU 38 CO 0.53 -0.05 -0.26 -0.69 -1.33 0.00 0.00 177.39 175.59 2pqe s VAL 39 N -3.06 0.12 -0.19 4.08 1.01 -1.22 -2.31 120.40 118.83 2pqe s VAL 39 Ca 0.11 -1.01 -0.04 0.00 0.00 0.00 0.00 61.98 61.05 2pqe s VAL 39 Cb -0.05 -0.65 0.06 0.00 0.00 0.00 0.00 36.38 35.74 2pqe s VAL 39 CO 0.14 -0.55 0.07 -0.62 0.00 0.00 0.00 175.10 174.13 2pqe s ASP 40 N -1.82 2.74 -0.54 3.32 -1.08 0.12 -4.50 116.67 114.90 2pqe s ASP 40 Ca -0.10 -0.79 0.07 0.00 -0.52 0.00 0.00 52.55 51.21 2pqe s ASP 40 Cb -0.05 -0.43 0.30 0.00 -1.46 0.00 0.00 42.92 41.29 2pqe s ASP 40 CO -0.03 -0.34 0.79 0.41 0.52 0.00 0.00 175.17 176.52 2pqe n THR 41 N 5.16 1.85 0.00 1.71 -1.04 -1.26 -0.55 114.28 120.15 2pqe n THR 41 Ca -0.08 -5.10 0.00 0.00 -2.04 0.00 0.00 64.05 56.83 2pqe n THR 41 Cb 0.47 -1.56 0.00 0.00 -1.82 0.00 0.00 70.33 67.42 2pqe n THR 41 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2pqe n ALA 42 N 0.44 0.00 -2.34 2.41 0.00 -1.26 -2.68 120.51 117.07 2pqe n ALA 42 Ca 0.28 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.72 2pqe n ALA 42 Cb 0.46 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.92 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 -0.04 0.22 -3.12 0.00 2.13 -1.26 -5.04 120.64 113.52 2pqe n GLU 43 Ca 0.00 -0.24 -0.45 0.00 0.66 0.00 0.00 57.16 57.13 2pqe n GLU 43 Cb 0.00 0.17 -0.01 0.00 0.27 0.00 0.00 31.44 31.88 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 0.02 5.37 -0.02 6.31 -4.23 -1.26 -4.65 115.64 117.18 2pqe s THR 44 Ca 0.01 -2.66 0.12 0.00 -1.18 0.00 0.00 61.69 57.99 2pqe s THR 44 Cb 0.07 -4.72 0.22 0.00 1.34 0.00 0.00 72.50 69.41 2pqe s THR 44 CO -0.02 -1.37 1.09 2.29 -0.54 0.00 0.00 174.62 176.07 2pqe n LYS 45 N 4.65 0.20 -0.02 3.99 2.85 -1.26 -4.80 118.16 123.76 2pqe n LYS 45 Ca 0.27 -1.66 -0.02 0.00 -1.05 0.00 0.00 58.31 55.85 2pqe n LYS 45 Cb 0.44 -0.45 -0.04 0.00 -0.65 0.00 0.00 35.03 34.32 2pqe n LYS 45 CO 0.00 0.00 0.00 1.58 -0.05 0.00 0.00 177.40 178.93 2pqe n HIS 46 N 0.01 0.00 -3.07 5.58 -0.00 -1.26 -5.03 115.22 111.45 2pqe n HIS 46 Ca 0.05 0.00 -0.15 0.00 0.46 0.00 0.00 57.72 58.08 2pqe n HIS 46 Cb 0.87 -0.24 0.04 0.00 -0.12 0.00 0.00 29.99 30.54 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 -2.11 -1.75 -0.04 3.57 -1.04 -1.26 -4.95 114.28 106.71 2pqe n THR 47 Ca -0.07 0.00 -0.14 0.00 -2.04 0.00 0.00 64.05 61.79 2pqe n THR 47 Cb 0.58 -2.97 -0.12 0.00 -1.82 0.00 0.00 70.33 66.00 2pqe n THR 47 CO 0.00 0.00 0.00 0.50 -0.64 0.00 0.00 175.07 174.93 2pqe h LYS 48 N -1.50 0.07 0.00 -2.82 3.64 -1.99 -3.47 116.57 110.50 2pqe h LYS 48 Ca -0.36 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 58.94 2pqe h LYS 48 Cb 1.24 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.08 2pqe h LYS 48 CO 0.37 0.85 0.00 0.36 -2.27 0.00 0.00 179.45 178.75 2pqe n LYS 49 N -4.62 0.00 0.00 1.90 -0.00 -1.26 -5.01 118.16 109.17 2pqe n LYS 49 Ca -0.10 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.21 2pqe n LYS 49 Cb 0.44 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.47 2pqe n LYS 49 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2pqe n GLY 50 N -0.35 0.11 1.58 2.58 0.00 -1.26 -5.02 105.19 102.83 2pqe n GLY 50 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.03 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 0.14 0.13 1.61 0.31 -1.26 -3.97 118.33 115.29 2pqe n VAL 51 Ca 0.00 -1.00 -0.01 0.00 -0.01 0.00 0.00 64.34 63.33 2pqe n VAL 51 Cb 0.00 0.93 0.26 0.00 -0.91 0.00 0.00 33.84 34.12 2pqe n VAL 51 CO 0.00 0.00 0.00 1.05 -1.32 0.00 0.00 176.83 176.56 2pqe h GLU 52 N 0.96 0.14 -0.01 5.55 4.11 -1.96 -3.37 114.58 120.01 2pqe h GLU 52 Ca -0.30 -0.07 -0.14 0.00 0.07 0.00 0.00 59.36 58.92 2pqe h GLU 52 Cb 1.71 -0.00 -0.16 0.00 0.50 0.00 0.00 28.75 30.80 2pqe h GLU 52 CO 0.02 0.54 -0.37 0.36 0.07 0.00 0.00 179.01 179.63 2pqe n LYS 53 N -4.03 0.17 -3.49 1.06 0.00 -1.26 -4.99 118.16 105.61 2pqe n LYS 53 Ca -0.02 -1.14 -0.21 0.00 -0.00 0.00 0.00 58.31 56.94 2pqe n LYS 53 Cb 0.47 0.42 0.08 0.00 -0.00 0.00 0.00 35.03 35.99 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 -2.59 -0.01 5.58 4.02 -1.26 -4.72 117.16 118.05 2pqe n TYR 54 Ca -0.23 0.93 -0.17 0.00 -0.01 0.00 0.00 57.90 58.42 2pqe n TYR 54 Cb 0.76 -4.77 -0.13 0.00 -0.02 0.00 0.00 39.34 35.19 2pqe n TYR 54 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 176.86 176.63 2pqe h GLY 55 N -2.41 0.24 0.56 2.72 0.00 -1.90 -2.66 103.07 99.63 2pqe h GLY 55 Ca -0.53 -0.50 -0.03 0.00 0.00 0.00 0.00 47.33 46.27 2pqe h GLY 55 CO 0.51 0.44 -0.10 0.00 0.00 0.00 0.00 176.54 177.39 2pqe h ALA 56 N 0.17 0.08 -0.08 3.60 0.00 -1.92 -3.13 119.26 117.98 2pqe h ALA 56 Ca -0.06 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.53 2pqe h ALA 56 Cb 1.23 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 2pqe h ALA 56 CO 0.08 -0.06 0.05 1.49 0.00 0.00 0.00 179.25 180.81 2pqe h GLU 57 N -0.34 0.08 -0.36 0.00 4.81 -1.78 -2.29 114.58 114.70 2pqe h GLU 57 Ca 0.00 -0.00 0.03 0.00 -0.13 0.00 0.00 59.36 59.26 2pqe h GLU 57 Cb 0.67 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 30.00 2pqe h GLU 57 CO 0.02 0.05 0.16 0.00 -0.73 0.00 0.00 179.01 178.51 2pqe h ALA 58 N 1.95 0.44 -0.27 2.92 0.00 -1.41 -1.08 119.26 121.81 2pqe h ALA 58 Ca 0.03 0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 2pqe h ALA 58 Cb 0.02 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 2pqe h ALA 58 CO -0.01 -0.23 -0.13 0.66 0.00 0.00 0.00 179.25 179.55 2pqe h SER 59 N 0.33 0.44 -0.21 0.00 4.64 -1.45 -2.72 113.55 114.58 2pqe h SER 59 Ca 0.16 -0.11 -0.02 0.00 -0.47 0.00 0.00 61.79 61.35 2pqe h SER 59 Cb 0.10 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 62.07 2pqe h SER 59 CO -0.14 0.60 0.06 0.00 -0.87 0.00 0.00 176.83 176.49 2pqe h ALA 60 N 1.44 0.28 -0.50 5.18 0.00 -1.13 0.76 119.26 125.28 2pqe h ALA 60 Ca 0.08 -0.14 0.03 0.00 0.00 0.00 0.00 54.91 54.87 2pqe h ALA 60 Cb 0.49 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 2pqe h ALA 60 CO 0.03 -0.09 0.29 0.35 0.00 0.00 0.00 179.25 179.83 2pqe h PHE 61 N 0.17 0.55 -0.03 0.00 3.04 -1.07 0.24 116.94 119.84 2pqe h PHE 61 Ca 0.07 0.02 -0.18 0.00 3.98 0.00 0.00 57.97 61.85 2pqe h PHE 61 Cb 0.24 -0.17 -0.01 0.00 2.56 0.00 0.00 35.95 38.57 2pqe h PHE 61 CO 0.00 0.31 -0.78 1.15 -2.02 0.00 0.00 178.31 176.97 2pqe h THR 62 N 0.58 1.44 0.16 4.41 2.02 -1.38 -1.68 112.91 118.47 2pqe h THR 62 Ca 0.20 -2.36 -0.01 0.00 0.77 0.00 0.00 66.41 65.02 2pqe h THR 62 Cb 0.03 2.28 0.00 0.00 -1.74 0.00 0.00 68.15 68.72 2pqe h THR 62 CO -0.10 0.69 -0.08 0.50 0.37 0.00 0.00 175.52 176.91 2pqe h LYS 63 N 0.16 -0.21 -0.23 6.66 3.64 0.11 0.33 116.57 127.02 2pqe h LYS 63 Ca -0.03 0.01 -0.14 0.00 -1.27 0.00 0.00 60.65 59.22 2pqe h LYS 63 Cb 1.37 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 33.23 2pqe h LYS 63 CO 0.12 0.08 -0.44 0.87 -2.27 0.00 0.00 179.45 177.82 2pqe h LYS 64 N -0.51 0.58 -0.28 1.90 1.79 -0.62 1.03 116.57 120.46 2pqe h LYS 64 Ca -0.02 -0.31 -0.09 0.00 -2.18 0.00 0.00 60.65 58.05 2pqe h LYS 64 Cb 0.39 0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 31.04 2pqe h LYS 64 CO 0.04 0.90 -0.19 1.98 -1.08 0.00 0.00 179.45 181.10 2pqe h MET 65 N 0.47 0.50 0.00 3.15 4.05 -1.29 0.66 114.93 122.47 2pqe h MET 65 Ca 0.03 -0.17 -0.29 0.00 -0.28 0.00 0.00 59.70 58.99 2pqe h MET 65 Cb 0.96 -0.04 -0.05 0.00 -0.80 0.00 0.00 31.60 31.67 2pqe h MET 65 CO 0.09 0.68 -1.71 1.55 0.23 0.00 0.00 176.91 177.75 2pqe n VAL 66 N -4.16 1.62 0.07 -5.77 3.14 0.10 -2.07 118.33 111.27 2pqe n VAL 66 Ca 0.00 -0.79 -0.06 0.00 -2.96 0.00 0.00 64.34 60.53 2pqe n VAL 66 Cb 0.37 -1.06 -0.07 0.00 -1.06 0.00 0.00 33.84 32.01 2pqe n VAL 66 CO 0.00 0.00 0.00 -0.33 -6.46 0.00 0.00 176.83 170.04 2pqe h GLU 67 N 0.00 0.00 0.18 1.45 4.39 0.12 -3.30 114.58 117.42 2pqe h GLU 67 Ca -0.29 0.00 -0.35 0.00 0.34 0.00 0.00 59.36 59.06 2pqe h GLU 67 Cb 2.01 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 30.67 2pqe h GLU 67 CO 0.08 0.94 -1.75 -0.97 -1.16 0.00 0.00 179.01 176.14 2pqe h ASN 68 N 0.00 0.60 -0.34 1.42 -1.24 0.20 -3.42 115.58 112.81 2pqe h ASN 68 Ca -0.01 -0.91 -0.13 0.00 0.71 0.00 0.00 56.30 55.96 2pqe h ASN 68 Cb 1.66 -0.20 -0.02 0.00 0.73 0.00 0.00 38.32 40.49 2pqe h ASN 68 CO 0.12 1.77 0.37 0.00 -1.29 0.00 0.00 177.43 178.40 2pqe s ALA 69 N -2.58 0.99 0.56 1.57 0.00 -0.88 -4.73 121.76 116.69 2pqe s ALA 69 Ca -0.16 -1.46 0.37 0.00 0.00 0.00 0.00 51.96 50.72 2pqe s ALA 69 Cb 0.05 -4.64 1.51 0.00 0.00 0.00 0.00 23.12 20.04 2pqe s ALA 69 CO 0.85 -6.00 1.71 0.87 0.00 0.00 0.00 175.76 173.19 2pqe h LYS 70 N 11.42 0.00 -4.84 0.00 1.79 -1.83 -3.33 116.57 119.78 2pqe h LYS 70 Ca 0.07 0.00 -0.64 0.00 -2.18 0.00 0.00 60.65 57.90 2pqe h LYS 70 Cb 0.99 0.00 -0.36 0.00 -1.58 0.00 0.00 32.23 31.28 2pqe h LYS 70 CO 1.09 0.00 -0.84 0.21 -1.08 0.00 0.00 179.45 178.82 2pqe s LYS 71 N -4.83 2.58 0.02 3.15 2.36 -1.26 -4.74 119.74 117.03 2pqe s LYS 71 Ca -0.05 -0.73 0.08 0.00 -2.55 0.00 0.00 55.97 52.72 2pqe s LYS 71 Cb 0.22 -2.36 -0.02 0.00 -1.05 0.00 0.00 37.83 34.61 2pqe s LYS 71 CO 0.75 -0.25 -0.23 0.42 1.55 0.00 0.00 175.35 177.59 2pqe s ILE 72 N 1.38 1.86 0.04 5.43 1.09 -1.25 0.75 121.20 130.50 2pqe s ILE 72 Ca 0.04 -1.18 0.05 0.00 -1.10 0.00 0.00 60.65 58.46 2pqe s ILE 72 Cb -0.13 -1.58 -0.02 0.00 -1.06 0.00 0.00 42.46 39.66 2pqe s ILE 72 CO -0.11 0.36 -0.15 -1.61 -0.10 0.00 0.00 174.94 173.32 2pqe s GLU 73 N -0.97 1.03 0.11 2.79 2.02 0.24 -2.35 118.70 121.57 2pqe s GLU 73 Ca 0.09 -0.79 0.10 0.00 0.02 0.00 0.00 54.97 54.39 2pqe s GLU 73 Cb -0.09 -1.06 -0.04 0.00 0.10 0.00 0.00 34.13 33.04 2pqe s GLU 73 CO 0.01 0.26 -0.25 0.14 0.02 0.00 0.00 175.26 175.45 2pqe s VAL 74 N -0.83 2.38 -0.16 2.63 -7.23 -1.00 0.11 120.40 116.31 2pqe s VAL 74 Ca 0.03 -1.63 -0.01 0.00 -1.81 0.00 0.00 61.98 58.56 2pqe s VAL 74 Cb -0.08 -2.04 0.04 0.00 0.56 0.00 0.00 36.38 34.86 2pqe s VAL 74 CO 0.01 0.14 -0.05 -0.70 -0.31 0.00 0.00 175.10 174.20 2pqe s GLU 75 N -1.94 1.38 0.17 4.82 -6.30 -0.68 0.08 118.70 116.23 2pqe s GLU 75 Ca 0.14 -0.45 -0.11 0.00 -2.50 0.00 0.00 54.97 52.05 2pqe s GLU 75 Cb -0.10 -1.91 -0.07 0.00 0.00 0.00 0.00 34.13 32.05 2pqe s GLU 75 CO 0.06 -0.41 0.52 -0.06 0.02 0.00 0.00 175.26 175.39 2pqe s PHE 76 N 1.67 3.53 0.54 5.30 0.08 -1.26 -1.58 117.98 126.26 2pqe s PHE 76 Ca 0.01 0.93 0.04 0.00 0.12 0.00 0.00 56.93 58.03 2pqe s PHE 76 Cb -0.15 -2.28 0.10 0.00 -0.57 0.00 0.00 43.02 40.12 2pqe s PHE 76 CO -0.08 0.38 0.75 -0.25 -0.10 0.00 0.00 175.22 175.92 2pqe n ASP 77 N 0.43 1.40 0.21 1.36 9.92 -1.26 -5.01 116.55 123.61 2pqe n ASP 77 Ca -0.03 -2.09 0.11 0.00 -0.53 0.00 0.00 54.79 52.24 2pqe n ASP 77 Cb 0.52 -0.45 0.23 0.00 -0.64 0.00 0.00 41.12 40.78 2pqe n ASP 77 CO 0.00 0.00 0.00 0.07 0.13 0.00 0.00 177.20 177.40 2pqe h LYS 78 N 0.00 0.00 0.00 -1.24 -0.00 -1.99 -3.44 116.57 109.90 2pqe h LYS 78 Ca -0.25 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.40 2pqe h LYS 78 Cb 1.02 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.25 2pqe h LYS 78 CO 0.30 0.11 0.00 0.41 -0.00 0.00 0.00 179.45 180.28 2pqe n GLY 79 N 0.93 -2.49 3.89 0.07 0.00 -1.25 -4.87 105.19 101.47 2pqe n GLY 79 Ca 0.03 -0.42 -0.32 0.00 0.00 0.00 0.00 46.02 45.30 2pqe n GLY 79 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2pqe s GLN 80 N 0.00 3.37 -0.01 1.61 0.00 -1.26 -4.88 119.66 118.49 2pqe s GLN 80 Ca 0.00 -0.41 0.17 0.00 -0.00 0.00 0.00 55.36 55.12 2pqe s GLN 80 Cb 0.00 -3.03 -0.19 0.00 0.00 0.00 0.00 33.01 29.79 2pqe s GLN 80 CO 0.00 0.64 0.62 -2.13 0.00 0.00 0.00 175.29 174.41 2pqe n ARG 81 N 0.64 0.64 -3.67 9.60 0.63 -1.26 -4.75 116.66 118.49 2pqe n ARG 81 Ca -0.08 0.13 -0.27 0.00 -0.92 0.00 0.00 57.85 56.71 2pqe n ARG 81 Cb 0.52 -1.71 -0.17 0.00 0.45 0.00 0.00 32.46 31.55 2pqe n ARG 81 CO 0.00 0.00 0.00 0.95 -2.51 0.00 0.00 177.63 176.07 2pqe s THR 82 N -2.89 0.19 -0.71 5.15 -4.23 -1.26 0.92 115.64 112.82 2pqe s THR 82 Ca -0.05 -0.32 -0.15 0.00 -1.18 0.00 0.00 61.69 59.99 2pqe s THR 82 Cb 0.09 -0.77 -0.12 0.00 1.34 0.00 0.00 72.50 73.04 2pqe s THR 82 CO 0.83 -0.24 1.89 -0.90 -0.54 0.00 0.00 174.62 175.67 2pqe n ASP 83 N 5.18 3.10 -2.30 3.99 5.68 -1.26 -4.29 116.55 126.64 2pqe n ASP 83 Ca -0.08 -2.48 -0.09 0.00 -0.50 0.00 0.00 54.79 51.65 2pqe n ASP 83 Cb 0.48 -1.01 -0.01 0.00 -1.14 0.00 0.00 41.12 39.44 2pqe n ASP 83 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 2pqe n LYS 84 N 5.87 -2.29 -0.19 0.11 4.01 -1.26 -4.73 118.16 119.69 2pqe n LYS 84 Ca 0.43 0.44 0.02 0.00 -0.51 0.00 0.00 58.31 58.69 2pqe n LYS 84 Cb 0.27 -4.95 0.02 0.00 -0.51 0.00 0.00 35.03 29.86 2pqe n LYS 84 CO 0.00 0.00 0.00 0.66 -1.11 0.00 0.00 177.40 176.95 2pqe n TYR 85 N -2.93 0.00 -1.72 2.13 4.02 -1.26 -4.99 117.16 112.41 2pqe n TYR 85 Ca -0.10 -0.25 -0.14 0.00 -0.01 0.00 0.00 57.90 57.40 2pqe n TYR 85 Cb 0.54 -0.05 -0.04 0.00 -0.02 0.00 0.00 39.34 39.77 2pqe n TYR 85 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2pqe n GLY 86 N -0.32 0.76 3.16 2.72 0.00 -1.26 -4.94 105.19 105.30 2pqe n GLY 86 Ca 0.03 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.86 2pqe n GLY 86 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pqe n ARG 87 N -2.20 0.09 -3.39 1.61 1.74 -1.26 -4.85 116.66 108.38 2pqe n ARG 87 Ca -0.15 -2.24 -0.34 0.00 -0.77 0.00 0.00 57.85 54.36 2pqe n ARG 87 Cb 0.51 -0.51 -0.05 0.00 -1.02 0.00 0.00 32.46 31.39 2pqe n ARG 87 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2pqe n GLY 88 N -1.18 4.69 3.59 -0.13 0.00 0.34 -4.01 105.19 108.49 2pqe n GLY 88 Ca 0.13 -2.69 -0.47 0.00 0.00 0.00 0.00 46.02 42.99 2pqe n GLY 88 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2pqe n LEU 89 N 1.41 3.08 0.00 0.99 4.77 0.26 -2.40 117.00 125.11 2pqe n LEU 89 Ca 0.26 0.56 0.00 0.00 -0.03 0.00 0.00 56.01 56.80 2pqe n LEU 89 Cb 0.37 -1.41 0.00 0.00 -2.33 0.00 0.00 43.42 40.05 2pqe n LEU 89 CO 0.47 -0.43 0.00 0.00 -1.33 0.00 0.00 177.39 176.11 2pqe n ALA 90 N 9.25 0.00 -1.86 -1.18 0.00 -0.40 -4.61 120.51 121.71 2pqe n ALA 90 Ca 0.30 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.36 2pqe n ALA 90 Cb 0.33 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.72 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 3.83 -0.17 0.00 2.02 -0.61 -1.91 117.35 118.50 2pqe s TYR 91 Ca 0.00 1.73 -0.09 0.00 -0.37 0.00 0.00 57.07 58.34 2pqe s TYR 91 Cb 0.00 -2.86 -0.05 0.00 -0.40 0.00 0.00 41.96 38.65 2pqe s TYR 91 CO 0.00 0.38 0.13 0.42 -1.57 0.00 0.00 175.55 174.91 2pqe s ILE 92 N -1.36 5.45 -0.10 2.71 -1.09 -1.26 -1.69 121.20 123.86 2pqe s ILE 92 Ca 0.43 0.20 0.02 0.00 -2.23 0.00 0.00 60.65 59.07 2pqe s ILE 92 Cb -0.22 -3.44 0.01 0.00 -1.58 0.00 0.00 42.46 37.23 2pqe s ILE 92 CO 0.26 0.51 -0.16 -0.31 -1.23 0.00 0.00 174.94 174.01 2pqe s TYR 93 N -0.18 2.00 -0.21 3.97 2.02 0.31 -1.81 117.35 123.45 2pqe s TYR 93 Ca 0.11 -0.91 -0.04 0.00 -0.37 0.00 0.00 57.07 55.86 2pqe s TYR 93 Cb -0.11 -1.43 -0.01 0.00 -0.40 0.00 0.00 41.96 40.01 2pqe s TYR 93 CO 0.00 -0.45 -0.04 0.00 -1.57 0.00 0.00 175.55 173.49 2pqe s ALA 94 N 0.87 2.85 -1.74 3.71 0.00 0.29 0.83 121.76 128.57 2pqe s ALA 94 Ca -0.09 -1.10 -0.14 0.00 0.00 0.00 0.00 51.96 50.63 2pqe s ALA 94 Cb -0.15 -1.67 0.14 0.00 0.00 0.00 0.00 23.12 21.44 2pqe s ALA 94 CO 0.00 -0.30 0.40 -0.25 0.00 0.00 0.00 175.76 175.62 2pqe n ASP 95 N 4.54 -0.93 0.00 0.00 8.00 0.23 0.16 116.55 128.55 2pqe n ASP 95 Ca -0.18 -1.23 0.00 0.00 0.71 0.00 0.00 54.79 54.09 2pqe n ASP 95 Cb 0.51 -1.75 0.00 0.00 -0.02 0.00 0.00 41.12 39.87 2pqe n ASP 95 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2pqe n GLY 96 N -1.65 0.41 3.32 0.44 0.00 -1.26 -5.04 105.19 101.40 2pqe n GLY 96 Ca -0.06 -0.89 -0.29 0.00 0.00 0.00 0.00 46.02 44.79 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 -1.62 1.66 -0.22 1.61 2.20 0.42 -5.11 119.74 118.67 2pqe s LYS 97 Ca 0.00 -1.07 -0.22 0.00 -0.36 0.00 0.00 55.97 54.32 2pqe s LYS 97 Cb 0.00 -1.83 -0.02 0.00 -1.51 0.00 0.00 37.83 34.47 2pqe s LYS 97 CO 0.00 0.47 0.69 1.41 -0.36 0.00 0.00 175.35 177.56 2pqe s MET 98 N -1.25 4.18 0.10 4.03 1.75 -1.26 0.11 119.30 126.96 2pqe s MET 98 Ca 0.11 0.69 -0.13 0.00 -1.25 0.00 0.00 55.69 55.11 2pqe s MET 98 Cb -0.10 -3.61 -0.15 0.00 2.84 0.00 0.00 34.83 33.81 2pqe s MET 98 CO 0.02 -0.36 1.31 0.28 -0.65 0.00 0.00 175.02 175.63 2pqe h VAL 99 N 5.31 1.28 0.01 10.11 2.07 -1.74 -2.39 116.25 130.89 2pqe h VAL 99 Ca -0.28 -1.94 -0.00 0.00 0.82 0.00 0.00 66.70 65.30 2pqe h VAL 99 Cb 1.13 1.94 0.00 0.00 -1.52 0.00 0.00 31.29 32.84 2pqe h VAL 99 CO 0.80 0.62 -0.01 -0.55 0.02 0.00 0.00 177.57 178.45 2pqe h ASN 100 N 0.55 -0.01 -0.52 0.57 7.08 -1.93 0.66 115.58 121.98 2pqe h ASN 100 Ca -0.05 -0.08 -0.07 0.00 -3.08 0.00 0.00 56.30 53.02 2pqe h ASN 100 Cb 1.38 0.00 -0.02 0.00 -2.08 0.00 0.00 38.32 37.60 2pqe h ASN 100 CO 0.16 0.08 0.06 1.05 -2.08 0.00 0.00 177.43 176.69 2pqe h GLU 101 N -0.10 0.92 -0.50 4.14 -0.00 -1.95 -0.70 114.58 116.40 2pqe h GLU 101 Ca -0.00 -0.24 -0.07 0.00 -0.00 0.00 0.00 59.36 59.04 2pqe h GLU 101 Cb 0.10 -0.11 -0.02 0.00 -0.00 0.00 0.00 28.75 28.72 2pqe h GLU 101 CO 0.00 0.88 0.03 0.00 -0.00 0.00 0.00 179.01 179.92 2pqe h ALA 102 N 1.19 0.67 0.19 1.06 0.00 -1.24 0.26 119.26 121.40 2pqe h ALA 102 Ca 0.17 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 2pqe h ALA 102 Cb 0.43 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.04 2pqe h ALA 102 CO 0.01 0.45 -0.09 -0.07 0.00 0.00 0.00 179.25 179.56 2pqe h LEU 103 N 0.73 -0.22 -0.23 0.00 3.38 -0.68 -1.61 115.31 116.69 2pqe h LEU 103 Ca 0.15 -0.27 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 2pqe h LEU 103 Cb 0.47 0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 2pqe h LEU 103 CO 0.02 0.19 0.11 0.58 0.09 0.00 0.00 178.44 179.42 2pqe h VAL 104 N -0.66 1.15 -0.00 1.22 2.07 -1.15 1.02 116.25 119.88 2pqe h VAL 104 Ca -0.03 -0.42 0.00 0.00 0.82 0.00 0.00 66.70 67.07 2pqe h VAL 104 Cb 0.47 1.01 -0.00 0.00 -1.52 0.00 0.00 31.29 31.25 2pqe h VAL 104 CO 0.04 0.14 0.00 -0.09 0.02 0.00 0.00 177.57 177.69 2pqe h ARG 105 N 0.23 0.00 0.00 1.57 2.43 -0.53 -1.70 114.38 116.38 2pqe h ARG 105 Ca 0.08 0.00 -0.23 0.00 -0.81 0.00 0.00 59.98 59.01 2pqe h ARG 105 Cb 0.13 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.64 2pqe h ARG 105 CO -0.01 0.00 -1.59 1.04 -1.51 0.00 0.00 179.97 177.90 2pqe n GLN 106 N -4.36 0.63 0.00 0.20 1.13 -0.61 -4.84 117.38 109.54 2pqe n GLN 106 Ca -0.03 0.26 0.00 0.00 -1.94 0.00 0.00 57.00 55.29 2pqe n GLN 106 Cb 0.09 -1.79 0.00 0.00 0.11 0.00 0.00 30.24 28.65 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 1.48 0.79 0.01 1.08 0.00 0.29 -4.24 105.19 104.59 2pqe n GLY 107 Ca -0.14 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.87 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 0.84 -4.26 0.99 7.99 0.23 -1.07 117.00 121.71 2pqe n LEU 108 Ca 0.00 -0.00 -0.24 0.00 -0.01 0.00 0.00 56.01 55.76 2pqe n LEU 108 Cb 0.00 0.01 -0.13 0.00 -0.11 0.00 0.00 43.42 43.19 2pqe n LEU 108 CO 0.00 0.17 -0.51 0.00 -1.51 0.00 0.00 177.39 175.54 2pqe s ALA 109 N -2.03 1.73 0.43 -1.18 0.00 -1.21 -4.62 121.76 114.88 2pqe s ALA 109 Ca -0.01 -1.17 0.07 0.00 0.00 0.00 0.00 51.96 50.85 2pqe s ALA 109 Cb 0.00 -0.25 -0.03 0.00 0.00 0.00 0.00 23.12 22.84 2pqe s ALA 109 CO 0.05 0.35 0.29 -1.59 0.00 0.00 0.00 175.76 174.86 2pqe s LYS 110 N -1.71 2.35 -0.30 0.00 0.00 0.29 -3.81 119.74 116.55 2pqe s LYS 110 Ca 0.06 -1.75 -0.29 0.00 0.00 0.00 0.00 55.97 53.99 2pqe s LYS 110 Cb -0.10 -2.15 0.02 0.00 0.00 0.00 0.00 37.83 35.60 2pqe s LYS 110 CO 0.03 -0.22 1.06 0.54 0.00 0.00 0.00 175.35 176.76 2pqe s VAL 111 N -2.58 4.55 0.00 1.79 0.11 -1.26 0.11 120.40 123.13 2pqe s VAL 111 Ca 0.43 1.77 0.00 0.00 -2.93 0.00 0.00 61.98 61.25 2pqe s VAL 111 Cb 0.00 -4.39 0.00 0.00 -1.53 0.00 0.00 36.38 30.47 2pqe s VAL 111 CO 0.24 -0.41 0.00 0.00 -3.33 0.00 0.00 175.10 171.60 2pqe n ALA 112 N 6.74 0.00 -3.43 1.54 0.00 -0.98 -4.84 120.51 119.55 2pqe n ALA 112 Ca 0.12 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.28 2pqe n ALA 112 Cb 0.47 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.81 2pqe n ALA 112 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 2pqe s TYR 113 N -0.74 0.73 0.83 0.00 1.13 -1.26 -4.82 117.35 113.22 2pqe s TYR 113 Ca 0.00 -1.77 -0.10 0.00 -1.41 0.00 0.00 57.07 53.78 2pqe s TYR 113 Cb 0.00 -0.86 0.10 0.00 -1.10 0.00 0.00 41.96 40.09 2pqe s TYR 113 CO 0.00 -0.84 1.11 0.54 -2.51 0.00 0.00 175.55 173.85 2pqe s VAL 114 N 0.79 2.79 0.15 -3.49 0.11 -1.26 -4.93 120.40 114.56 2pqe s VAL 114 Ca 0.23 0.26 -0.24 0.00 -2.93 0.00 0.00 61.98 59.29 2pqe s VAL 114 Cb -0.14 -2.55 0.02 0.00 -1.53 0.00 0.00 36.38 32.18 2pqe s VAL 114 CO -0.06 -0.34 1.60 0.22 -3.33 0.00 0.00 175.10 173.20 2pqe h TYR 115 N -1.45 -0.94 0.00 1.54 3.20 -2.01 -3.46 116.97 113.86 2pqe h TYR 115 Ca -0.43 0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.49 2pqe h TYR 115 Cb 1.25 0.46 0.00 0.00 1.54 0.00 0.00 36.73 39.97 2pqe h TYR 115 CO 0.54 -0.40 0.00 0.36 -1.64 0.00 0.00 178.16 177.03 2pqe n LYS 116 N -5.41 0.00 0.28 1.82 2.85 -1.26 -5.03 118.16 111.41 2pqe n LYS 116 Ca -0.01 0.00 -0.18 0.00 -1.05 0.00 0.00 58.31 57.08 2pqe n LYS 116 Cb 0.34 0.00 -0.10 0.00 -0.65 0.00 0.00 35.03 34.62 2pqe n LYS 116 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 177.40 178.13 2pqe h GLY 117 N 0.00 -1.26 -7.58 2.58 0.00 -1.94 -3.31 103.07 91.57 2pqe h GLY 117 Ca 0.00 0.59 -0.53 0.00 0.00 0.00 0.00 47.33 47.39 2pqe h GLY 117 CO 0.00 -0.37 1.63 -1.31 0.00 0.00 0.00 176.54 176.49 2pqe s ASN 118 N -4.29 6.08 -0.40 0.19 0.01 -1.26 -3.91 114.94 111.35 2pqe s ASN 118 Ca -0.17 -1.92 0.11 0.00 -0.71 0.00 0.00 52.86 50.17 2pqe s ASN 118 Cb 0.04 -2.58 0.36 0.00 0.41 0.00 0.00 41.25 39.48 2pqe s ASN 118 CO 0.58 -1.96 0.80 -0.46 -1.51 0.00 0.00 177.10 174.56 2pqe n ASN 119 N 10.84 1.60 -0.01 -1.22 6.94 -1.25 -4.79 115.26 127.37 2pqe n ASN 119 Ca 0.45 -3.10 -0.04 0.00 -0.02 0.00 0.00 54.58 51.86 2pqe n ASN 119 Cb 0.47 -0.60 -0.01 0.00 -2.36 0.00 0.00 39.78 37.28 2pqe n ASN 119 CO 0.00 0.00 0.00 0.41 -1.03 0.00 0.00 177.26 176.64 2pqe n THR 120 N 0.13 0.62 1.86 5.53 -1.04 -1.26 -4.68 114.28 115.43 2pqe n THR 120 Ca 0.24 0.07 0.15 0.00 -2.04 0.00 0.00 64.05 62.48 2pqe n THR 120 Cb 0.64 -1.62 0.85 0.00 -1.82 0.00 0.00 70.33 68.37 2pqe n THR 120 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 2pqe n HIS 121 N -3.38 0.00 -0.36 -1.42 8.25 -1.26 -4.04 115.22 113.01 2pqe n HIS 121 Ca -0.08 0.00 0.37 0.00 -0.26 0.00 0.00 57.72 57.75 2pqe n HIS 121 Cb 0.42 -0.02 0.74 0.00 1.12 0.00 0.00 29.99 32.25 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 0.46 0.00 -0.22 -0.41 4.22 -1.89 0.87 114.58 117.62 2pqe h GLU 122 Ca 0.00 0.00 -0.15 0.00 0.08 0.00 0.00 59.36 59.29 2pqe h GLU 122 Cb 0.12 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 2pqe h GLU 122 CO 0.00 0.00 -0.48 0.37 -2.18 0.00 0.00 179.01 176.72 2pqe h GLN 123 N 0.00 0.58 0.00 1.92 4.15 -1.94 -1.05 115.11 118.77 2pqe h GLN 123 Ca 0.61 -0.33 -0.00 0.00 0.77 0.00 0.00 58.65 59.69 2pqe h GLN 123 Cb 2.54 0.02 0.00 0.00 0.21 0.00 0.00 27.48 30.25 2pqe h GLN 123 CO -0.01 0.94 -0.00 -0.07 -1.93 0.00 0.00 178.83 177.76 2pqe h LEU 124 N 0.46 -0.00 -1.44 -2.39 3.38 0.46 -2.30 115.31 113.48 2pqe h LEU 124 Ca 0.02 -0.50 -0.05 0.00 0.09 0.00 0.00 57.88 57.44 2pqe h LEU 124 Cb 1.01 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.75 2pqe h LEU 124 CO 0.09 0.50 -0.22 -0.07 0.09 0.00 0.00 178.44 178.83 2pqe h LEU 125 N -0.50 0.08 -0.51 1.67 3.38 -1.46 -2.13 115.31 115.84 2pqe h LEU 125 Ca -0.00 -0.02 -0.15 0.00 0.09 0.00 0.00 57.88 57.80 2pqe h LEU 125 Cb 0.50 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 2pqe h LEU 125 CO 0.00 0.31 -0.41 0.03 0.09 0.00 0.00 178.44 178.47 2pqe h ARG 126 N 0.08 0.77 -0.07 1.13 2.47 -1.16 -1.60 114.38 116.00 2pqe h ARG 126 Ca 0.01 -0.41 -0.02 0.00 -1.26 0.00 0.00 59.98 58.31 2pqe h ARG 126 Cb 0.44 0.01 -0.00 0.00 -1.65 0.00 0.00 29.97 28.77 2pqe h ARG 126 CO 0.03 1.03 -0.04 0.87 0.56 0.00 0.00 179.97 182.42 2pqe h LYS 127 N 0.63 0.14 -0.11 0.04 6.56 -1.01 -1.73 116.57 121.08 2pqe h LYS 127 Ca 0.05 -0.07 -0.04 0.00 -1.06 0.00 0.00 60.65 59.53 2pqe h LYS 127 Cb 0.96 -0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.61 2pqe h LYS 127 CO 0.09 0.55 -0.10 1.03 -2.06 0.00 0.00 179.45 178.96 2pqe h SER 128 N -0.26 0.16 0.10 0.86 0.87 -1.42 -1.49 113.55 112.36 2pqe h SER 128 Ca 0.01 -0.02 -0.00 0.00 -1.23 0.00 0.00 61.79 60.54 2pqe h SER 128 Cb 0.51 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.43 2pqe h SER 128 CO 0.01 0.28 -0.05 -0.08 -0.53 0.00 0.00 176.83 176.47 2pqe h GLU 129 N 0.16 -0.13 -0.66 2.24 4.81 -1.20 -2.20 114.58 117.60 2pqe h GLU 129 Ca 0.04 0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.30 2pqe h GLU 129 Cb 0.28 0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.65 2pqe h GLU 129 CO 0.02 0.33 0.41 0.00 -0.73 0.00 0.00 179.01 179.04 2pqe h ALA 130 N 0.14 0.86 -0.57 2.92 0.00 -1.16 0.28 119.26 121.73 2pqe h ALA 130 Ca -0.01 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 2pqe h ALA 130 Cb 0.52 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 2pqe h ALA 130 CO 0.02 0.18 0.33 1.96 0.00 0.00 0.00 179.25 181.75 2pqe h GLN 131 N 0.82 0.78 0.00 0.00 4.20 -1.33 0.14 115.11 119.72 2pqe h GLN 131 Ca 0.26 -0.08 -0.11 0.00 0.06 0.00 0.00 58.65 58.79 2pqe h GLN 131 Cb 0.00 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 27.61 2pqe h GLN 131 CO -0.10 0.57 -0.52 0.00 -0.67 0.00 0.00 178.83 178.12 2pqe h ALA 132 N 1.16 0.93 -0.01 3.87 0.00 -0.95 -2.65 119.26 121.62 2pqe h ALA 132 Ca 0.20 -0.47 -0.03 0.00 0.00 0.00 0.00 54.91 54.61 2pqe h ALA 132 Cb 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.71 2pqe h ALA 132 CO -0.04 0.65 -0.13 -0.22 0.00 0.00 0.00 179.25 179.51 2pqe h LYS 133 N 0.00 0.10 -0.69 0.00 3.11 0.08 0.11 116.57 119.29 2pqe h LYS 133 Ca -0.01 -0.10 -0.01 0.00 -2.81 0.00 0.00 60.65 57.73 2pqe h LYS 133 Cb 1.06 0.03 -0.03 0.00 -1.00 0.00 0.00 32.23 32.28 2pqe h LYS 133 CO 0.07 0.83 0.40 1.57 -2.81 0.00 0.00 179.45 179.52 2pqe h LYS 134 N -0.60 0.95 0.00 1.90 2.10 -0.79 -2.58 116.57 117.56 2pqe h LYS 134 Ca -0.01 -0.10 -0.06 0.00 -2.00 0.00 0.00 60.65 58.48 2pqe h LYS 134 Cb 0.88 -0.19 -0.01 0.00 -0.90 0.00 0.00 32.23 32.00 2pqe h LYS 134 CO 0.03 0.69 -0.41 0.93 -2.00 0.00 0.00 179.45 178.69 2pqe h GLU 135 N 0.95 0.00 -5.22 0.07 5.08 -1.56 -3.49 114.58 110.40 2pqe h GLU 135 Ca 0.25 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.46 2pqe h GLU 135 Cb -0.00 0.00 0.12 0.00 0.50 0.00 0.00 28.75 29.36 2pqe h GLU 135 CO -0.04 0.25 -0.51 1.63 -1.00 0.00 0.00 179.01 179.34 2pqe n LYS 136 N -3.11 -1.76 0.00 2.33 4.76 0.35 -4.99 118.16 115.74 2pqe n LYS 136 Ca 0.02 1.02 0.00 0.00 -2.87 0.00 0.00 58.31 56.48 2pqe n LYS 136 Cb 0.65 -5.46 0.00 0.00 -1.84 0.00 0.00 35.03 28.38 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 -2.59 0.51 0.00 -0.35 4.77 -0.93 -4.67 117.00 113.74 2pqe n LEU 137 Ca -0.04 0.52 0.00 0.00 -0.03 0.00 0.00 56.01 56.46 2pqe n LEU 137 Cb 0.57 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.52 2pqe n LEU 137 CO 0.52 -0.14 0.00 0.59 -1.33 0.00 0.00 177.39 177.03 2pqe n ASN 138 N -0.93 0.00 -0.32 -1.43 3.02 -1.26 -4.82 115.26 109.51 2pqe n ASN 138 Ca 0.00 0.00 0.11 0.00 -0.03 0.00 0.00 54.58 54.66 2pqe n ASN 138 Cb 0.00 0.00 0.28 0.00 -0.61 0.00 0.00 39.78 39.45 2pqe n ASN 138 CO 0.00 0.00 0.00 0.16 -2.62 0.00 0.00 177.26 174.80 2pqe h ILE 139 N 0.00 0.65 -1.16 2.41 3.07 -1.39 -0.99 117.51 120.11 2pqe h ILE 139 Ca 0.00 -0.21 -0.54 0.00 1.55 0.00 0.00 64.86 65.66 2pqe h ILE 139 Cb 0.00 -0.01 -0.20 0.00 -0.27 0.00 0.00 36.82 36.34 2pqe h ILE 139 CO 0.00 0.11 0.56 0.79 -1.05 0.00 0.00 178.15 178.56 2pqe n TRP 140 N -4.88 1.97 -1.76 0.16 5.03 -1.26 -4.32 117.44 112.37 2pqe n TRP 140 Ca 0.21 -2.09 0.05 0.00 3.03 0.00 0.00 57.50 58.70 2pqe n TRP 140 Cb 0.54 -1.29 0.18 0.00 -1.03 0.00 0.00 31.31 29.71 2pqe n TRP 140 CO 0.00 0.00 0.00 0.43 -0.03 0.00 0.00 177.69 178.09 2pqe n SER 141 N 0.40 1.61 -1.20 -0.99 7.64 -0.38 -4.13 113.62 116.58 2pqe n SER 141 Ca 0.48 -3.57 -0.05 0.00 1.01 0.00 0.00 58.87 56.74 2pqe n SER 141 Cb 0.50 -0.49 -0.02 0.00 -1.01 0.00 0.00 64.21 63.19 2pqe n SER 141 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 2pqe n GLU 142 N -0.83 0.22 -1.19 1.43 -0.00 -1.26 -4.97 120.64 114.03 2pqe n GLU 142 Ca 0.17 -0.79 -0.28 0.00 -0.00 0.00 0.00 57.16 56.26 2pqe n GLU 142 Cb 0.77 0.46 0.10 0.00 -0.00 0.00 0.00 31.44 32.78 2pqe n GLU 142 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 2pqe n ASP 143 N -0.25 6.09 -4.15 -1.84 8.00 -1.26 -4.80 116.55 118.35 2pqe n ASP 143 Ca -0.20 -3.57 -0.38 0.00 0.71 0.00 0.00 54.79 51.35 2pqe n ASP 143 Cb 0.63 -0.93 -0.07 0.00 -0.02 0.00 0.00 41.12 40.74 2pqe n ASP 143 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 2pqe s ASN 144 N -1.29 5.79 0.21 -2.24 3.84 -1.26 -5.06 114.94 114.93 2pqe s ASN 144 Ca 0.56 -3.14 -0.31 0.00 0.21 0.00 0.00 52.86 50.17 2pqe s ASN 144 Cb 0.45 -1.94 -0.11 0.00 -0.55 0.00 0.00 41.25 39.10 2pqe s ASN 144 CO 0.03 -0.34 1.61 0.00 -2.79 0.00 0.00 177.10 175.61 2pqe s ALA 145 N -0.49 3.81 0.05 1.71 0.00 -1.26 -4.92 121.76 120.65 2pqe s ALA 145 Ca 0.21 1.48 -0.18 0.00 0.00 0.00 0.00 51.96 53.46 2pqe s ALA 145 Cb -0.14 -3.65 -0.16 0.00 0.00 0.00 0.00 23.12 19.18 2pqe s ALA 145 CO -0.07 -0.86 1.28 -0.44 0.00 0.00 0.00 175.76 175.67 2pqe h ASP 146 N 6.24 0.55 -2.81 0.00 5.19 -2.00 -3.45 116.42 120.13 2pqe h ASP 146 Ca -0.44 -0.58 -0.59 0.00 -0.62 0.00 0.00 57.03 54.81 2pqe h ASP 146 Cb 1.21 -0.16 -0.07 0.00 0.18 0.00 0.00 39.33 40.49 2pqe h ASP 146 CO 0.89 1.02 -0.57 -0.44 -3.12 0.00 0.00 179.24 177.03 2pqe s SER 147 N -6.47 5.60 0.00 6.45 0.01 -1.26 -4.76 113.70 113.26 2pqe s SER 147 Ca -0.13 -0.07 0.00 0.00 1.31 0.00 0.00 55.95 57.06 2pqe s SER 147 Cb 0.06 -1.50 0.00 0.00 0.21 0.00 0.00 66.02 64.79 2pqe s SER 147 CO 0.80 0.09 0.00 0.61 0.41 0.00 0.00 173.24 175.15 2pqe n GLY 148 N -0.16 3.34 0.82 3.44 0.00 -1.26 -5.20 105.19 106.16 2pqe n GLY 148 Ca -0.08 -0.59 0.10 0.00 0.00 0.00 0.00 46.02 45.45 2pqe n GLY 148 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14