#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 4.26 -0.25 0.00 -4.23 -1.26 -5.12 115.64 109.04 2pqe s THR 2 Ca 0.00 -1.14 -0.09 0.00 -1.18 0.00 0.00 61.69 59.28 2pqe s THR 2 Cb 0.00 -3.46 0.11 0.00 1.34 0.00 0.00 72.50 70.49 2pqe s THR 2 CO 0.00 -0.23 0.55 -0.44 -0.54 0.00 0.00 174.62 173.97 2pqe s SER 3 N -4.04 -0.76 1.39 3.99 0.01 -1.26 -5.17 113.70 107.86 2pqe s SER 3 Ca 0.40 1.32 -0.23 0.00 1.31 0.00 0.00 55.95 58.75 2pqe s SER 3 Cb -0.08 1.81 0.36 0.00 0.21 0.00 0.00 66.02 68.31 2pqe s SER 3 CO 0.29 -0.22 0.97 0.28 0.41 0.00 0.00 173.24 174.96 2pqe s THR 4 N 2.64 1.23 -0.75 1.44 -1.32 -1.26 -4.97 115.64 112.66 2pqe s THR 4 Ca -0.05 0.00 -0.06 0.00 -1.21 0.00 0.00 61.69 60.37 2pqe s THR 4 Cb -0.11 -2.18 0.19 0.00 -1.51 0.00 0.00 72.50 68.89 2pqe s THR 4 CO -0.16 0.00 0.62 -0.75 -2.21 0.00 0.00 174.62 172.12 2pqe s LYS 5 N -5.22 3.07 -0.54 7.08 2.47 -1.26 -5.02 119.74 120.33 2pqe s LYS 5 Ca 0.69 -2.66 -0.10 0.00 -1.56 0.00 0.00 55.97 52.35 2pqe s LYS 5 Cb -0.11 -4.02 0.14 0.00 -1.46 0.00 0.00 37.83 32.38 2pqe s LYS 5 CO 0.57 -1.23 0.43 0.21 0.16 0.00 0.00 175.35 175.49 2pqe s LYS 6 N -0.25 2.68 -0.73 4.03 2.36 -1.26 -5.01 119.74 121.56 2pqe s LYS 6 Ca 0.19 -1.92 -0.03 0.00 -2.55 0.00 0.00 55.97 51.66 2pqe s LYS 6 Cb -0.15 -4.01 0.19 0.00 -1.05 0.00 0.00 37.83 32.80 2pqe s LYS 6 CO -0.07 -1.22 0.58 -1.17 1.55 0.00 0.00 175.35 175.02 2pqe s LEU 7 N 1.10 5.46 -0.26 5.43 1.98 -1.26 -5.04 118.68 126.09 2pqe s LEU 7 Ca 0.08 -3.14 -0.03 0.00 -2.89 0.00 0.00 54.13 48.15 2pqe s LEU 7 Cb -0.24 -1.90 0.02 0.00 0.66 0.00 0.00 46.19 44.73 2pqe s LEU 7 CO -0.02 -0.32 -0.02 -2.28 -1.89 0.00 0.00 176.35 171.82 2pqe s HIS 8 N -0.48 3.09 0.61 5.38 2.46 -1.26 -5.11 115.29 119.98 2pqe s HIS 8 Ca 0.20 -1.39 -0.12 0.00 0.47 0.00 0.00 55.06 54.23 2pqe s HIS 8 Cb -0.15 -2.11 -0.04 0.00 -0.13 0.00 0.00 32.58 30.14 2pqe s HIS 8 CO -0.07 -0.68 1.03 -1.59 -2.47 0.00 0.00 174.74 170.96 2pqe s LYS 9 N 1.37 3.59 -0.29 2.88 0.00 -1.26 -4.81 119.74 121.21 2pqe s LYS 9 Ca 0.01 0.80 -0.16 0.00 0.00 0.00 0.00 55.97 56.62 2pqe s LYS 9 Cb -0.17 -2.08 0.18 0.00 0.00 0.00 0.00 37.83 35.77 2pqe s LYS 9 CO -0.02 -0.57 1.14 -2.00 0.00 0.00 0.00 175.35 173.89 2pqe s GLU 10 N -5.00 0.18 0.00 1.78 2.12 -0.21 -4.75 118.70 112.83 2pqe s GLU 10 Ca 0.56 0.32 0.00 0.00 0.36 0.00 0.00 54.97 56.21 2pqe s GLU 10 Cb -0.11 0.04 0.00 0.00 0.26 0.00 0.00 34.13 34.32 2pqe s GLU 10 CO 0.51 -0.04 0.00 0.00 -0.54 0.00 0.00 175.26 175.19 2pqe n ALA 11 N 3.39 0.89 0.00 6.30 0.00 -1.25 -2.40 120.51 127.45 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 -2.87 0.00 -3.28 0.00 0.00 -1.04 -4.20 120.51 109.13 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 0.02 -0.27 0.00 2.01 -0.97 -4.37 115.64 112.05 2pqe s THR 13 Ca 0.00 -0.17 -0.13 0.00 0.31 0.00 0.00 61.69 61.71 2pqe s THR 13 Cb 0.00 -0.59 -0.04 0.00 0.01 0.00 0.00 72.50 71.87 2pqe s THR 13 CO 0.00 -0.09 0.26 -0.22 -0.69 0.00 0.00 174.62 173.88 2pqe s LEU 14 N -0.41 4.04 -0.06 4.42 1.98 -1.26 0.16 118.68 127.56 2pqe s LEU 14 Ca -0.05 0.14 -0.14 0.00 -2.89 0.00 0.00 54.13 51.18 2pqe s LEU 14 Cb -0.03 -2.25 -0.09 0.00 0.66 0.00 0.00 46.19 44.48 2pqe s LEU 14 CO 0.02 -0.09 0.55 0.40 -1.89 0.00 0.00 176.35 175.34 2pqe h ILE 15 N 5.33 0.31 -1.05 6.68 5.03 -1.45 -3.47 117.51 128.89 2pqe h ILE 15 Ca -0.34 -0.91 0.21 0.00 -0.12 0.00 0.00 64.86 63.70 2pqe h ILE 15 Cb 1.18 0.53 -0.32 0.00 -3.03 0.00 0.00 36.82 35.18 2pqe h ILE 15 CO 0.60 0.09 0.92 -0.75 -0.68 0.00 0.00 178.15 178.33 2pqe s LYS 16 N -2.88 0.04 0.24 2.37 2.20 -1.06 -5.02 119.74 115.64 2pqe s LYS 16 Ca -0.08 0.04 -0.18 0.00 -0.36 0.00 0.00 55.97 55.39 2pqe s LYS 16 Cb 0.00 0.02 -0.08 0.00 -1.51 0.00 0.00 37.83 36.26 2pqe s LYS 16 CO 0.27 -0.01 0.71 0.00 -0.36 0.00 0.00 175.35 175.96 2pqe s ALA 17 N -0.25 3.40 -0.08 3.13 0.00 -1.26 -1.14 121.76 125.56 2pqe s ALA 17 Ca 0.08 0.11 0.05 0.00 0.00 0.00 0.00 51.96 52.20 2pqe s ALA 17 Cb -0.04 -2.78 -0.09 0.00 0.00 0.00 0.00 23.12 20.21 2pqe s ALA 17 CO -0.14 0.34 0.00 1.51 0.00 0.00 0.00 175.76 177.47 2pqe n ILE 18 N 0.43 0.52 -2.74 0.00 0.00 0.45 -4.87 119.36 113.16 2pqe n ILE 18 Ca -0.01 -0.30 -0.09 0.00 0.00 0.00 0.00 62.75 62.36 2pqe n ILE 18 Cb 0.52 -0.81 0.08 0.00 0.00 0.00 0.00 39.64 39.43 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 -2.38 -0.97 0.00 9.51 -0.08 0.12 -4.98 116.55 117.77 2pqe n ASP 19 Ca -0.13 -2.80 0.00 0.00 -1.51 0.00 0.00 54.79 50.35 2pqe n ASP 19 Cb 0.73 0.69 0.00 0.00 2.34 0.00 0.00 41.12 44.88 2pqe n ASP 19 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2pqe n GLY 20 N -0.22 0.09 0.12 0.27 0.00 -1.26 -2.37 105.19 101.82 2pqe n GLY 20 Ca 0.04 0.44 -0.07 0.00 0.00 0.00 0.00 46.02 46.43 2pqe n GLY 20 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2pqe h ASP 21 N 0.00 0.15 -3.52 1.61 3.04 -1.92 -3.41 116.42 112.37 2pqe h ASP 21 Ca 0.00 -0.12 -0.68 0.00 -3.24 0.00 0.00 57.03 52.99 2pqe h ASP 21 Cb 0.00 -0.05 -0.17 0.00 -1.04 0.00 0.00 39.33 38.07 2pqe h ASP 21 CO 0.00 0.92 -0.04 -0.89 -2.04 0.00 0.00 179.24 177.19 2pqe s THR 22 N -3.21 4.95 0.03 1.15 2.01 -1.00 -1.00 115.64 118.57 2pqe s THR 22 Ca -0.02 -0.18 -0.09 0.00 0.31 0.00 0.00 61.69 61.71 2pqe s THR 22 Cb 0.11 -4.14 0.00 0.00 0.01 0.00 0.00 72.50 68.48 2pqe s THR 22 CO 0.81 -0.54 0.19 0.54 -0.69 0.00 0.00 174.62 174.92 2pqe s VAL 23 N 2.48 0.10 -0.37 3.82 0.11 0.42 0.16 120.40 127.12 2pqe s VAL 23 Ca 0.17 -0.84 -0.15 0.00 -2.93 0.00 0.00 61.98 58.23 2pqe s VAL 23 Cb -0.16 -0.79 0.00 0.00 -1.53 0.00 0.00 36.38 33.90 2pqe s VAL 23 CO 0.16 -0.46 0.35 -0.54 -3.33 0.00 0.00 175.10 171.28 2pqe s LYS 24 N -2.24 3.35 -0.11 1.54 -0.14 -0.29 0.17 119.74 122.01 2pqe s LYS 24 Ca -0.08 -0.63 0.00 0.00 -1.36 0.00 0.00 55.97 53.91 2pqe s LYS 24 Cb -0.03 -3.87 -0.02 0.00 -1.68 0.00 0.00 37.83 32.23 2pqe s LYS 24 CO -0.02 -0.63 -0.12 -1.17 -0.76 0.00 0.00 175.35 172.65 2pqe s LEU 25 N 1.95 2.79 -0.78 3.17 0.20 0.07 -1.08 118.68 125.01 2pqe s LEU 25 Ca 0.10 -0.26 -0.25 0.00 0.69 0.00 0.00 54.13 54.41 2pqe s LEU 25 Cb -0.17 -1.62 0.05 0.00 -0.43 0.00 0.00 46.19 44.02 2pqe s LEU 25 CO 0.12 0.22 1.23 -0.32 -0.29 0.00 0.00 176.35 177.30 2pqe s MET 26 N 0.06 3.26 -0.11 1.98 1.75 0.43 -1.34 119.30 125.32 2pqe s MET 26 Ca -0.04 -0.59 -0.09 0.00 -1.25 0.00 0.00 55.69 53.72 2pqe s MET 26 Cb -0.14 -4.42 -0.04 0.00 2.84 0.00 0.00 34.83 33.06 2pqe s MET 26 CO 0.04 -2.07 0.18 -0.47 -0.65 0.00 0.00 175.02 172.05 2pqe s TYR 27 N 5.09 3.60 -0.49 4.11 6.14 0.15 -2.30 117.35 133.64 2pqe s TYR 27 Ca 0.34 0.58 0.00 0.00 0.64 0.00 0.00 57.07 58.63 2pqe s TYR 27 Cb -0.08 -2.02 0.00 0.00 0.42 0.00 0.00 41.96 40.28 2pqe s TYR 27 CO 0.09 0.68 0.00 0.36 0.64 0.00 0.00 175.55 177.31 2pqe n LYS 28 N 2.13 -2.36 -0.60 4.97 -0.00 -1.26 0.12 118.16 121.16 2pqe n LYS 28 Ca -0.19 0.28 0.00 0.00 -0.00 0.00 0.00 58.31 58.40 2pqe n LYS 28 Cb 0.54 -4.74 0.00 0.00 -0.00 0.00 0.00 35.03 30.84 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 -0.53 0.63 2.86 2.58 0.00 -1.26 -5.06 105.19 104.41 2pqe n GLY 29 Ca -0.06 -0.61 -0.22 0.00 0.00 0.00 0.00 46.02 45.12 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 -1.14 0.91 -0.81 1.61 -2.07 0.32 -5.09 119.66 113.38 2pqe s GLN 30 Ca 0.00 -0.07 -0.25 0.00 -1.82 0.00 0.00 55.36 53.21 2pqe s GLN 30 Cb 0.00 -1.02 0.01 0.00 -1.09 0.00 0.00 33.01 30.91 2pqe s GLN 30 CO 0.00 -0.18 1.53 0.00 -1.32 0.00 0.00 175.29 175.33 2pqe s ALA 31 N 1.37 2.48 0.14 2.60 0.00 -1.26 0.30 121.76 127.38 2pqe s ALA 31 Ca -0.04 -1.49 0.06 0.00 0.00 0.00 0.00 51.96 50.49 2pqe s ALA 31 Cb -0.13 -4.38 -0.04 0.00 0.00 0.00 0.00 23.12 18.56 2pqe s ALA 31 CO -0.03 -3.71 0.05 0.00 0.00 0.00 0.00 175.76 172.08 2pqe s MET 32 N 5.96 2.64 -0.48 0.00 0.23 -0.45 -4.89 119.30 122.32 2pqe s MET 32 Ca 0.49 -0.92 -0.29 0.00 -1.03 0.00 0.00 55.69 53.94 2pqe s MET 32 Cb -0.07 -2.53 0.03 0.00 -1.53 0.00 0.00 34.83 30.73 2pqe s MET 32 CO 0.07 0.50 1.14 0.99 -2.03 0.00 0.00 175.02 175.69 2pqe s THR 33 N -1.60 4.21 -0.08 3.16 2.01 -1.26 -0.75 115.64 121.33 2pqe s THR 33 Ca 0.28 1.23 -0.12 0.00 0.31 0.00 0.00 61.69 63.39 2pqe s THR 33 Cb -0.10 -4.61 -0.05 0.00 0.01 0.00 0.00 72.50 67.75 2pqe s THR 33 CO 0.20 -1.01 0.30 -0.36 -0.69 0.00 0.00 174.62 173.07 2pqe s PHE 34 N 4.45 3.62 -0.14 4.92 0.40 0.44 -1.42 117.98 130.24 2pqe s PHE 34 Ca 0.48 0.76 -0.00 0.00 -0.60 0.00 0.00 56.93 57.56 2pqe s PHE 34 Cb -0.07 -2.21 0.03 0.00 0.51 0.00 0.00 43.02 41.28 2pqe s PHE 34 CO 0.32 0.56 -0.10 1.03 0.70 0.00 0.00 175.22 177.72 2pqe s ARG 35 N -0.63 1.85 0.27 0.44 3.00 -1.15 -0.44 118.95 122.30 2pqe s ARG 35 Ca 0.19 -0.44 -0.29 0.00 0.00 0.00 0.00 55.73 55.19 2pqe s ARG 35 Cb -0.14 -1.90 -0.14 0.00 0.00 0.00 0.00 34.95 32.77 2pqe s ARG 35 CO 0.08 -0.29 1.07 1.28 0.00 0.00 0.00 175.30 177.44 2pqe n LEU 36 N 4.85 1.91 -4.67 2.53 4.77 -0.17 -2.07 117.00 124.15 2pqe n LEU 36 Ca -0.14 1.17 -0.39 0.00 -0.03 0.00 0.00 56.01 56.62 2pqe n LEU 36 Cb 0.49 -1.29 -0.07 0.00 -2.33 0.00 0.00 43.42 40.22 2pqe n LEU 36 CO 0.19 -1.29 0.21 -0.76 -1.33 0.00 0.00 177.39 174.41 2pqe s LEU 37 N 0.40 4.16 -1.23 2.23 1.43 -0.97 -4.07 118.68 120.63 2pqe s LEU 37 Ca 0.61 0.66 -0.02 0.00 -1.03 0.00 0.00 54.13 54.35 2pqe s LEU 37 Cb -0.71 -2.68 0.00 0.00 0.03 0.00 0.00 46.19 42.83 2pqe s LEU 37 CO 0.58 -0.15 0.32 0.18 0.23 0.00 0.00 176.35 177.51 2pqe n LEU 38 N 4.64 -2.19 -3.98 1.79 4.77 -1.26 -4.85 117.00 115.92 2pqe n LEU 38 Ca -0.05 -0.15 -0.10 0.00 -0.03 0.00 0.00 56.01 55.68 2pqe n LEU 38 Cb 0.51 -2.36 -0.11 0.00 -2.33 0.00 0.00 43.42 39.13 2pqe n LEU 38 CO 0.42 0.07 -0.36 -0.69 -1.33 0.00 0.00 177.39 175.49 2pqe s VAL 39 N -2.95 0.13 -0.20 4.08 1.01 -1.26 -2.12 120.40 119.10 2pqe s VAL 39 Ca 0.16 -0.84 -0.04 0.00 0.00 0.00 0.00 61.98 61.26 2pqe s VAL 39 Cb -0.07 -0.26 0.07 0.00 0.00 0.00 0.00 36.38 36.11 2pqe s VAL 39 CO 0.19 -0.45 0.07 -1.81 0.00 0.00 0.00 175.10 173.11 2pqe s ASP 40 N -1.34 2.80 -0.62 3.32 1.11 0.11 -4.57 116.67 117.48 2pqe s ASP 40 Ca -0.14 -0.82 -0.01 0.00 0.18 0.00 0.00 52.55 51.76 2pqe s ASP 40 Cb -0.09 -0.45 0.16 0.00 1.07 0.00 0.00 42.92 43.61 2pqe s ASP 40 CO -0.01 -0.34 0.42 -0.89 1.18 0.00 0.00 175.17 175.54 2pqe s THR 41 N 1.97 3.44 0.08 -1.27 2.01 -1.26 -0.67 115.64 119.94 2pqe s THR 41 Ca 0.02 -3.20 0.00 0.00 0.31 0.00 0.00 61.69 58.82 2pqe s THR 41 Cb -0.17 -3.26 0.00 0.00 0.01 0.00 0.00 72.50 69.08 2pqe s THR 41 CO -0.12 -0.88 0.00 0.00 -0.69 0.00 0.00 174.62 172.93 2pqe n ALA 42 N 3.21 -0.98 -2.47 7.40 0.00 -1.26 -4.02 120.51 122.39 2pqe n ALA 42 Ca 0.09 0.06 -0.02 0.00 0.00 0.00 0.00 53.44 53.57 2pqe n ALA 42 Cb 0.36 -0.63 0.07 0.00 0.00 0.00 0.00 19.45 19.25 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 -1.43 0.82 -1.56 0.00 2.13 -1.26 -4.94 120.64 114.41 2pqe n GLU 43 Ca 0.00 -0.89 -0.14 0.00 0.66 0.00 0.00 57.16 56.79 2pqe n GLU 43 Cb 0.04 0.37 -0.08 0.00 0.27 0.00 0.00 31.44 32.04 2pqe n GLU 43 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 2pqe n THR 44 N -0.94 0.00 -0.81 6.31 -2.24 -1.26 -4.71 114.28 110.63 2pqe n THR 44 Ca -0.15 -0.49 -0.03 0.00 -2.27 0.00 0.00 64.05 61.10 2pqe n THR 44 Cb 0.75 -1.87 0.30 0.00 -2.10 0.00 0.00 70.33 67.40 2pqe n THR 44 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 2pqe n LYS 45 N 8.59 3.70 0.00 -0.78 -0.00 -1.26 -4.24 118.16 124.17 2pqe n LYS 45 Ca 0.48 -2.80 0.00 0.00 -0.00 0.00 0.00 58.31 55.99 2pqe n LYS 45 Cb 0.41 -2.15 0.00 0.00 -0.00 0.00 0.00 35.03 33.29 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 0.03 0.00 -2.29 5.58 -0.00 -1.26 -5.07 115.22 112.21 2pqe n HIS 46 Ca 0.35 0.00 -0.04 0.00 0.46 0.00 0.00 57.72 58.49 2pqe n HIS 46 Cb 1.27 0.00 0.02 0.00 -0.12 0.00 0.00 29.99 31.16 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 -1.67 -1.81 -0.06 3.57 -1.04 -1.26 -4.98 114.28 107.04 2pqe n THR 47 Ca 0.00 -0.17 -0.16 0.00 -2.04 0.00 0.00 64.05 61.69 2pqe n THR 47 Cb 0.18 -3.28 -0.06 0.00 -1.82 0.00 0.00 70.33 65.36 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 -0.45 0.82 0.00 -2.82 3.64 -1.97 -3.46 116.57 112.32 2pqe h LYS 48 Ca -0.15 -0.57 0.00 0.00 -1.27 0.00 0.00 60.65 58.66 2pqe h LYS 48 Cb 1.09 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.99 2pqe h LYS 48 CO 0.12 1.20 0.00 0.36 -2.27 0.00 0.00 179.45 178.86 2pqe n LYS 49 N -4.02 0.00 0.00 1.90 -0.00 -1.26 -5.01 118.16 109.77 2pqe n LYS 49 Ca -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.25 2pqe n LYS 49 Cb 0.66 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.69 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 0.00 1.69 1.64 2.58 0.00 -1.26 -5.03 105.19 104.81 2pqe n GLY 50 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.05 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 0.16 0.20 1.61 0.31 -1.26 -3.27 118.33 116.08 2pqe n VAL 51 Ca 0.00 -1.17 0.09 0.00 -0.01 0.00 0.00 64.34 63.26 2pqe n VAL 51 Cb 0.00 1.00 0.16 0.00 -0.91 0.00 0.00 33.84 34.10 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 1.13 0.00 0.00 5.55 4.11 -1.99 -3.40 114.58 119.98 2pqe h GLU 52 Ca -0.24 0.00 -0.08 0.00 0.07 0.00 0.00 59.36 59.10 2pqe h GLU 52 Cb 1.78 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 30.96 2pqe h GLU 52 CO 0.08 0.16 -0.15 0.36 0.07 0.00 0.00 179.01 179.53 2pqe n LYS 53 N -3.15 0.40 -3.12 1.06 0.00 -1.26 -5.01 118.16 107.08 2pqe n LYS 53 Ca 0.03 -0.60 -0.14 0.00 -0.00 0.00 0.00 58.31 57.61 2pqe n LYS 53 Cb 0.58 0.35 0.07 0.00 -0.00 0.00 0.00 35.03 36.02 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 -0.46 -2.15 -0.02 5.58 4.01 -1.26 -4.76 117.16 118.10 2pqe n TYR 54 Ca -0.12 0.79 -0.20 0.00 -0.16 0.00 0.00 57.90 58.20 2pqe n TYR 54 Cb 0.61 -4.15 -0.14 0.00 -0.31 0.00 0.00 39.34 35.36 2pqe n TYR 54 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2pqe n GLY 55 N -1.23 -0.54 0.32 2.72 0.00 -1.26 -2.92 105.19 102.30 2pqe n GLY 55 Ca -0.11 -0.26 -0.05 0.00 0.00 0.00 0.00 46.02 45.60 2pqe n GLY 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pqe h ALA 56 N 0.09 1.09 0.00 4.61 0.00 -1.92 -2.54 119.26 120.59 2pqe h ALA 56 Ca -0.45 -0.21 -0.20 0.00 0.00 0.00 0.00 54.91 54.05 2pqe h ALA 56 Cb 2.01 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 19.50 2pqe h ALA 56 CO 0.06 0.62 -0.96 1.49 0.00 0.00 0.00 179.25 180.46 2pqe h GLU 57 N 1.01 0.00 -0.08 0.00 4.81 -1.85 -2.85 114.58 115.63 2pqe h GLU 57 Ca 0.22 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.45 2pqe h GLU 57 Cb 0.28 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.66 2pqe h GLU 57 CO -0.01 0.96 0.05 0.00 -0.73 0.00 0.00 179.01 179.28 2pqe h ALA 58 N 1.04 0.10 -0.30 2.92 0.00 -1.36 0.21 119.26 121.87 2pqe h ALA 58 Ca -0.01 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.72 2pqe h ALA 58 Cb 1.73 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.49 2pqe h ALA 58 CO 0.12 -0.41 -0.50 0.77 0.00 0.00 0.00 179.25 179.24 2pqe h SER 59 N 0.10 0.92 -0.24 0.00 0.02 -1.56 -2.73 113.55 110.06 2pqe h SER 59 Ca 0.03 -0.47 -0.01 0.00 -0.84 0.00 0.00 61.79 60.50 2pqe h SER 59 Cb -0.01 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.26 2pqe h SER 59 CO -0.01 1.25 0.11 0.00 -1.14 0.00 0.00 176.83 177.05 2pqe h ALA 60 N 0.77 0.31 -0.12 3.77 0.00 -1.30 0.87 119.26 123.56 2pqe h ALA 60 Ca 0.03 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 54.87 2pqe h ALA 60 Cb 1.09 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 2pqe h ALA 60 CO 0.11 -0.13 -0.00 0.35 0.00 0.00 0.00 179.25 179.58 2pqe h PHE 61 N 0.25 -0.01 -0.08 0.00 3.04 -0.60 0.79 116.94 120.33 2pqe h PHE 61 Ca 0.08 0.01 -0.15 0.00 3.98 0.00 0.00 57.97 61.89 2pqe h PHE 61 Cb 0.13 0.02 -0.01 0.00 2.56 0.00 0.00 35.95 38.65 2pqe h PHE 61 CO -0.02 -0.02 -0.63 1.15 -2.02 0.00 0.00 178.31 176.77 2pqe h THR 62 N 0.04 1.38 -0.12 4.41 2.02 -1.37 0.79 112.91 120.07 2pqe h THR 62 Ca 0.06 -2.01 -0.09 0.00 0.77 0.00 0.00 66.41 65.13 2pqe h THR 62 Cb 0.07 2.02 0.00 0.00 -1.74 0.00 0.00 68.15 68.50 2pqe h THR 62 CO -0.10 0.60 -0.30 0.50 0.37 0.00 0.00 175.52 176.59 2pqe h LYS 63 N 0.21 0.41 0.01 6.66 3.64 0.12 -1.92 116.57 125.69 2pqe h LYS 63 Ca -0.01 -0.28 -0.20 0.00 -1.27 0.00 0.00 60.65 58.89 2pqe h LYS 63 Cb 1.15 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 33.00 2pqe h LYS 63 CO 0.10 0.89 -0.90 1.57 -2.27 0.00 0.00 179.45 178.85 2pqe h LYS 64 N -0.02 0.22 -0.11 1.90 5.09 0.56 -1.57 116.57 122.63 2pqe h LYS 64 Ca -0.00 -0.24 -0.13 0.00 0.09 0.00 0.00 60.65 60.36 2pqe h LYS 64 Cb 0.91 0.07 -0.01 0.00 0.10 0.00 0.00 32.23 33.30 2pqe h LYS 64 CO 0.06 0.98 -0.50 1.98 -2.09 0.00 0.00 179.45 179.88 2pqe h MET 65 N 0.12 0.31 0.10 0.07 4.05 -0.89 -1.37 114.93 117.31 2pqe h MET 65 Ca -0.05 -0.18 -0.18 0.00 -0.28 0.00 0.00 59.70 59.01 2pqe h MET 65 Cb 1.53 0.01 0.01 0.00 -0.80 0.00 0.00 31.60 32.35 2pqe h MET 65 CO 0.14 0.74 -0.86 -0.39 0.23 0.00 0.00 176.91 176.77 2pqe h VAL 66 N 0.24 1.40 0.00 -5.77 -1.51 -1.36 -1.98 116.25 107.27 2pqe h VAL 66 Ca 0.01 -2.45 0.00 0.00 -1.23 0.00 0.00 66.70 63.03 2pqe h VAL 66 Cb 0.98 3.04 0.00 0.00 -2.13 0.00 0.00 31.29 33.18 2pqe h VAL 66 CO 0.08 0.67 0.00 -0.33 -1.23 0.00 0.00 177.57 176.76 2pqe h GLU 67 N -0.51 0.00 0.01 5.19 4.39 -1.34 -2.95 114.58 119.38 2pqe h GLU 67 Ca -0.17 0.00 -0.34 0.00 0.34 0.00 0.00 59.36 59.19 2pqe h GLU 67 Cb 1.54 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 30.13 2pqe h GLU 67 CO 0.08 0.00 -2.08 0.09 -1.16 0.00 0.00 179.01 175.93 2pqe n ASN 68 N -3.07 0.77 -0.14 1.42 4.13 -0.52 -4.36 115.26 113.49 2pqe n ASN 68 Ca -0.00 0.18 -0.04 0.00 1.68 0.00 0.00 54.58 56.40 2pqe n ASN 68 Cb 0.26 0.24 0.05 0.00 -1.54 0.00 0.00 39.78 38.79 2pqe n ASN 68 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2pqe h ALA 69 N 0.81 0.54 0.00 5.41 0.00 -1.17 -3.46 119.26 121.38 2pqe h ALA 69 Ca -0.43 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.54 2pqe h ALA 69 Cb 2.10 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.94 2pqe h ALA 69 CO 0.04 -0.25 0.00 1.63 0.00 0.00 0.00 179.25 180.68 2pqe n LYS 70 N -5.03 0.00 -3.99 0.00 4.76 -1.21 -4.73 118.16 107.96 2pqe n LYS 70 Ca 0.04 0.00 -0.29 0.00 -2.87 0.00 0.00 58.31 55.19 2pqe n LYS 70 Cb 0.18 0.00 -0.17 0.00 -1.84 0.00 0.00 35.03 33.21 2pqe n LYS 70 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 2pqe s LYS 71 N 0.00 2.10 -0.02 1.97 2.20 -1.26 -4.82 119.74 119.92 2pqe s LYS 71 Ca 0.00 -0.51 0.07 0.00 -0.36 0.00 0.00 55.97 55.17 2pqe s LYS 71 Cb 0.00 -2.02 -0.02 0.00 -1.51 0.00 0.00 37.83 34.29 2pqe s LYS 71 CO 0.00 -0.26 -0.23 0.42 -0.36 0.00 0.00 175.35 174.92 2pqe s ILE 72 N 1.53 1.82 0.02 5.43 1.09 -1.26 0.35 121.20 130.18 2pqe s ILE 72 Ca 0.05 -0.99 0.03 0.00 -1.10 0.00 0.00 60.65 58.63 2pqe s ILE 72 Cb -0.13 -1.51 -0.01 0.00 -1.06 0.00 0.00 42.46 39.74 2pqe s ILE 72 CO -0.10 0.51 -0.10 -1.61 -0.10 0.00 0.00 174.94 173.54 2pqe s GLU 73 N -0.56 0.70 0.08 2.79 8.01 0.24 -2.49 118.70 127.47 2pqe s GLU 73 Ca 0.09 -0.51 0.07 0.00 0.01 0.00 0.00 54.97 54.63 2pqe s GLU 73 Cb -0.09 -0.64 -0.03 0.00 -4.31 0.00 0.00 34.13 29.06 2pqe s GLU 73 CO -0.01 0.16 -0.18 0.14 0.01 0.00 0.00 175.26 175.39 2pqe s VAL 74 N -0.61 1.45 -0.16 2.63 -7.23 -1.01 0.97 120.40 116.44 2pqe s VAL 74 Ca 0.00 -1.38 -0.00 0.00 -1.81 0.00 0.00 61.98 58.79 2pqe s VAL 74 Cb -0.06 -1.33 0.04 0.00 0.56 0.00 0.00 36.38 35.59 2pqe s VAL 74 CO 0.00 -0.08 -0.06 -0.70 -0.31 0.00 0.00 175.10 173.95 2pqe s GLU 75 N -1.70 1.51 -0.31 4.82 2.56 -0.97 -1.05 118.70 123.56 2pqe s GLU 75 Ca 0.03 -0.51 -0.26 0.00 0.00 0.00 0.00 54.97 54.23 2pqe s GLU 75 Cb -0.10 -1.99 0.01 0.00 2.00 0.00 0.00 34.13 34.06 2pqe s GLU 75 CO 0.03 -0.41 0.93 -0.06 -0.56 0.00 0.00 175.26 175.19 2pqe s PHE 76 N 1.62 3.19 0.00 5.30 0.40 -1.26 -2.39 117.98 124.84 2pqe s PHE 76 Ca 0.01 1.02 0.00 0.00 -0.60 0.00 0.00 56.93 57.36 2pqe s PHE 76 Cb -0.15 -3.42 0.00 0.00 0.51 0.00 0.00 43.02 39.96 2pqe s PHE 76 CO -0.08 -0.64 0.00 -3.47 0.70 0.00 0.00 175.22 171.73 2pqe n ASP 77 N 6.49 -0.42 0.02 1.36 2.03 -1.26 -4.99 116.55 119.79 2pqe n ASP 77 Ca 0.08 -0.54 0.11 0.00 0.52 0.00 0.00 54.79 54.95 2pqe n ASP 77 Cb 0.47 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 40.83 2pqe n ASP 77 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2pqe n LYS 78 N -0.96 0.40 0.00 -0.67 4.01 -1.26 -4.77 118.16 114.91 2pqe n LYS 78 Ca 0.00 -0.04 0.00 0.00 -0.51 0.00 0.00 58.31 57.76 2pqe n LYS 78 Cb 0.00 -1.60 0.00 0.00 -0.51 0.00 0.00 35.03 32.92 2pqe n LYS 78 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2pqe n GLY 79 N 1.33 -1.54 3.13 0.72 0.00 -1.26 -4.78 105.19 102.80 2pqe n GLY 79 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.77 2pqe n GLY 79 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2pqe s GLN 80 N 0.00 1.72 0.08 1.61 0.74 -1.26 -4.62 119.66 117.92 2pqe s GLN 80 Ca 0.00 -0.60 0.14 0.00 0.05 0.00 0.00 55.36 54.96 2pqe s GLN 80 Cb 0.00 -1.51 -0.13 0.00 1.10 0.00 0.00 33.01 32.47 2pqe s GLN 80 CO 0.00 0.25 0.94 -0.09 -0.55 0.00 0.00 175.29 175.84 2pqe h ARG 81 N 6.21 0.00 -3.22 1.67 1.12 -1.90 -3.41 114.38 114.85 2pqe h ARG 81 Ca -0.33 0.00 -0.48 0.00 -1.11 0.00 0.00 59.98 58.07 2pqe h ARG 81 Cb 1.17 0.00 -0.41 0.00 -0.01 0.00 0.00 29.97 30.73 2pqe h ARG 81 CO 0.48 0.45 -0.75 0.95 -3.11 0.00 0.00 179.97 177.98 2pqe s THR 82 N -2.83 0.11 -0.80 0.20 -4.23 -1.26 -0.03 115.64 106.79 2pqe s THR 82 Ca -0.02 -0.27 -0.13 0.00 -1.18 0.00 0.00 61.69 60.10 2pqe s THR 82 Cb 0.08 -0.70 -0.10 0.00 1.34 0.00 0.00 72.50 73.12 2pqe s THR 82 CO 0.80 -0.24 1.98 -0.67 -0.54 0.00 0.00 174.62 175.95 2pqe n ASP 83 N 5.21 3.62 -1.82 3.99 -0.08 -1.26 -4.27 116.55 121.93 2pqe n ASP 83 Ca -0.07 -2.47 -0.14 0.00 -1.51 0.00 0.00 54.79 50.60 2pqe n ASP 83 Cb 0.48 -1.07 -0.04 0.00 2.34 0.00 0.00 41.12 42.83 2pqe n ASP 83 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 2pqe n LYS 84 N 5.50 -1.64 -0.11 -0.67 4.76 -1.26 -4.71 118.16 120.04 2pqe n LYS 84 Ca 0.45 0.77 0.00 0.00 -2.87 0.00 0.00 58.31 56.66 2pqe n LYS 84 Cb 0.25 -5.17 0.00 0.00 -1.84 0.00 0.00 35.03 28.27 2pqe n LYS 84 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 2pqe n TYR 85 N -2.57 0.00 -1.46 2.13 4.02 -1.26 -4.99 117.16 113.03 2pqe n TYR 85 Ca -0.15 -0.05 -0.16 0.00 -0.01 0.00 0.00 57.90 57.52 2pqe n TYR 85 Cb 0.53 -0.02 -0.07 0.00 -0.02 0.00 0.00 39.34 39.76 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 -0.06 1.55 2.71 2.72 0.00 -1.26 -4.95 105.19 105.89 2pqe n GLY 86 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.86 -1.16 -3.06 1.61 1.74 -1.26 -4.95 116.66 107.71 2pqe n ARG 87 Ca -0.16 -1.43 -0.38 0.00 -0.77 0.00 0.00 57.85 55.11 2pqe n ARG 87 Cb 0.58 -1.00 -0.01 0.00 -1.02 0.00 0.00 32.46 31.01 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 -1.40 5.23 3.68 -0.13 0.00 -0.51 -3.98 105.19 108.08 2pqe n GLY 88 Ca 0.12 -2.69 -0.49 0.00 0.00 0.00 0.00 46.02 42.95 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 0.95 3.18 0.00 0.99 4.77 0.95 -2.94 117.00 124.90 2pqe n LEU 89 Ca 0.30 1.01 0.00 0.00 -0.03 0.00 0.00 56.01 57.29 2pqe n LEU 89 Cb 0.35 -1.34 0.00 0.00 -2.33 0.00 0.00 43.42 40.10 2pqe n LEU 89 CO 0.60 -0.18 0.00 0.00 -1.33 0.00 0.00 177.39 176.49 2pqe n ALA 90 N 5.82 0.00 -1.88 -1.18 0.00 -0.88 -4.58 120.51 117.81 2pqe n ALA 90 Ca 0.22 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.28 2pqe n ALA 90 Cb 0.27 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.65 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 3.82 -0.16 0.00 1.51 -1.01 -2.29 117.35 117.22 2pqe s TYR 91 Ca 0.00 1.71 -0.09 0.00 -1.01 0.00 0.00 57.07 57.68 2pqe s TYR 91 Cb 0.00 -2.84 -0.05 0.00 -0.11 0.00 0.00 41.96 38.96 2pqe s TYR 91 CO 0.00 0.38 0.15 0.42 -1.11 0.00 0.00 175.55 175.38 2pqe s ILE 92 N -1.37 5.44 -0.07 2.71 -1.09 -1.26 -2.30 121.20 123.27 2pqe s ILE 92 Ca 0.43 0.23 0.02 0.00 -2.23 0.00 0.00 60.65 59.09 2pqe s ILE 92 Cb -0.21 -3.45 0.02 0.00 -1.58 0.00 0.00 42.46 37.23 2pqe s ILE 92 CO 0.26 0.53 -0.11 -0.31 -1.23 0.00 0.00 174.94 174.08 2pqe s TYR 93 N -0.33 1.38 -0.16 3.97 2.02 0.27 -1.40 117.35 123.10 2pqe s TYR 93 Ca 0.12 -0.53 -0.02 0.00 -0.37 0.00 0.00 57.07 56.28 2pqe s TYR 93 Cb -0.12 -1.05 -0.01 0.00 -0.40 0.00 0.00 41.96 40.38 2pqe s TYR 93 CO 0.01 -0.30 -0.10 0.00 -1.57 0.00 0.00 175.55 173.60 2pqe s ALA 94 N 0.84 2.71 -1.80 3.71 0.00 0.33 0.82 121.76 128.37 2pqe s ALA 94 Ca -0.11 -0.98 -0.18 0.00 0.00 0.00 0.00 51.96 50.68 2pqe s ALA 94 Cb -0.15 -1.41 0.18 0.00 0.00 0.00 0.00 23.12 21.74 2pqe s ALA 94 CO 0.02 0.00 0.50 -3.47 0.00 0.00 0.00 175.76 172.81 2pqe n ASP 95 N 3.98 -1.40 0.00 0.00 2.03 0.16 0.15 116.55 121.47 2pqe n ASP 95 Ca -0.18 -1.23 0.00 0.00 0.52 0.00 0.00 54.79 53.90 2pqe n ASP 95 Cb 0.52 -1.74 0.00 0.00 -0.72 0.00 0.00 41.12 39.17 2pqe n ASP 95 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2pqe n GLY 96 N -1.41 0.43 3.31 0.27 0.00 -1.26 -5.05 105.19 101.48 2pqe n GLY 96 Ca 0.02 -0.84 -0.27 0.00 0.00 0.00 0.00 46.02 44.93 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 -1.53 1.40 -0.23 1.61 2.20 0.41 -5.11 119.74 118.48 2pqe s LYS 97 Ca 0.00 -1.13 -0.22 0.00 -0.36 0.00 0.00 55.97 54.26 2pqe s LYS 97 Cb 0.00 -1.66 -0.02 0.00 -1.51 0.00 0.00 37.83 34.65 2pqe s LYS 97 CO 0.00 0.41 0.71 1.41 -0.36 0.00 0.00 175.35 177.52 2pqe s MET 98 N -1.60 4.17 0.19 4.03 -2.45 -1.26 0.12 119.30 122.50 2pqe s MET 98 Ca 0.10 0.73 0.00 0.00 -1.25 0.00 0.00 55.69 55.27 2pqe s MET 98 Cb -0.10 -3.63 0.10 0.00 1.25 0.00 0.00 34.83 32.46 2pqe s MET 98 CO 0.04 -0.41 1.46 0.28 1.05 0.00 0.00 175.02 177.44 2pqe h VAL 99 N 5.35 1.39 -0.01 10.11 2.07 -1.61 -2.18 116.25 131.37 2pqe h VAL 99 Ca -0.27 -2.12 0.00 0.00 0.82 0.00 0.00 66.70 65.13 2pqe h VAL 99 Cb 1.12 2.10 -0.00 0.00 -1.52 0.00 0.00 31.29 32.98 2pqe h VAL 99 CO 0.81 0.63 -0.01 -1.13 0.02 0.00 0.00 177.57 177.89 2pqe h ASN 100 N 0.25 -0.04 -0.20 0.57 -1.24 -1.93 -0.72 115.58 112.27 2pqe h ASN 100 Ca -0.02 0.01 -0.17 0.00 0.71 0.00 0.00 56.30 56.83 2pqe h ASN 100 Cb 1.26 0.02 -0.00 0.00 0.73 0.00 0.00 38.32 40.33 2pqe h ASN 100 CO 0.12 -0.02 -0.49 1.05 -1.29 0.00 0.00 177.43 176.80 2pqe h GLU 101 N -0.02 0.77 -0.48 6.67 -0.00 -1.94 -2.16 114.58 117.43 2pqe h GLU 101 Ca 0.01 -0.45 0.02 0.00 -0.00 0.00 0.00 59.36 58.94 2pqe h GLU 101 Cb 0.03 0.04 -0.03 0.00 -0.00 0.00 0.00 28.75 28.79 2pqe h GLU 101 CO -0.02 1.08 0.28 0.00 -0.00 0.00 0.00 179.01 180.35 2pqe h ALA 102 N 0.84 0.61 0.18 1.06 0.00 -1.19 0.91 119.26 121.67 2pqe h ALA 102 Ca 0.03 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 2pqe h ALA 102 Cb 1.06 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.73 2pqe h ALA 102 CO 0.10 -0.03 -0.09 -0.07 0.00 0.00 0.00 179.25 179.16 2pqe h LEU 103 N 0.56 -0.21 -0.24 0.00 3.38 -1.12 -1.94 115.31 115.73 2pqe h LEU 103 Ca 0.19 -0.29 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 2pqe h LEU 103 Cb 0.03 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 2pqe h LEU 103 CO -0.09 0.21 0.11 0.58 0.09 0.00 0.00 178.44 179.34 2pqe h VAL 104 N -0.67 1.15 -0.25 1.22 2.07 -1.31 0.98 116.25 119.44 2pqe h VAL 104 Ca -0.02 -0.43 0.02 0.00 0.82 0.00 0.00 66.70 67.09 2pqe h VAL 104 Cb 0.48 1.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.24 2pqe h VAL 104 CO 0.04 0.15 0.17 -0.09 0.02 0.00 0.00 177.57 177.86 2pqe h ARG 105 N 0.25 0.23 0.00 1.57 2.43 0.79 -1.34 114.38 118.31 2pqe h ARG 105 Ca 0.08 -0.01 -0.17 0.00 -0.81 0.00 0.00 59.98 59.07 2pqe h ARG 105 Cb 0.13 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.60 2pqe h ARG 105 CO -0.01 0.15 -1.19 1.96 -1.51 0.00 0.00 179.97 179.37 2pqe h GLN 106 N 0.24 0.00 0.00 0.20 7.50 -0.87 -3.43 115.11 118.74 2pqe h GLN 106 Ca 0.10 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.25 2pqe h GLN 106 Cb 0.12 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.65 2pqe h GLN 106 CO -0.02 0.40 0.00 0.41 -1.50 0.00 0.00 178.83 178.12 2pqe n GLY 107 N 1.36 0.91 0.00 3.46 0.00 0.20 -4.25 105.19 106.87 2pqe n GLY 107 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 -4.05 0.99 4.32 0.28 -0.58 117.00 117.96 2pqe n LEU 108 Ca 0.00 0.00 -0.22 0.00 -0.02 0.00 0.00 56.01 55.77 2pqe n LEU 108 Cb 0.00 0.00 -0.16 0.00 -1.62 0.00 0.00 43.42 41.64 2pqe n LEU 108 CO 0.00 0.00 -0.46 0.00 -1.22 0.00 0.00 177.39 175.71 2pqe s ALA 109 N -1.84 1.09 0.49 -1.18 0.00 -1.15 -4.24 121.76 114.92 2pqe s ALA 109 Ca 0.00 -0.45 0.09 0.00 0.00 0.00 0.00 51.96 51.59 2pqe s ALA 109 Cb 0.00 -0.38 0.04 0.00 0.00 0.00 0.00 23.12 22.78 2pqe s ALA 109 CO 0.00 0.19 0.64 -1.59 0.00 0.00 0.00 175.76 174.99 2pqe s LYS 110 N 0.14 2.57 -0.29 0.00 0.00 0.16 -3.39 119.74 118.93 2pqe s LYS 110 Ca -0.03 -1.47 -0.24 0.00 0.00 0.00 0.00 55.97 54.24 2pqe s LYS 110 Cb -0.10 -2.65 -0.00 0.00 0.00 0.00 0.00 37.83 35.08 2pqe s LYS 110 CO 0.01 -0.52 0.79 0.54 0.00 0.00 0.00 175.35 176.17 2pqe s VAL 111 N -2.51 4.81 0.00 1.79 0.11 -1.26 -0.71 120.40 122.63 2pqe s VAL 111 Ca 0.56 1.28 0.00 0.00 -2.93 0.00 0.00 61.98 60.90 2pqe s VAL 111 Cb -0.07 -4.13 0.00 0.00 -1.53 0.00 0.00 36.38 30.65 2pqe s VAL 111 CO 0.34 -0.19 0.00 0.00 -3.33 0.00 0.00 175.10 171.93 2pqe n ALA 112 N 6.13 0.00 -3.68 1.54 0.00 -0.90 -4.87 120.51 118.73 2pqe n ALA 112 Ca 0.04 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.18 2pqe n ALA 112 Cb 0.48 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.80 2pqe n ALA 112 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 2pqe s TYR 113 N -0.59 1.69 -0.52 0.00 1.51 -1.26 -4.85 117.35 113.32 2pqe s TYR 113 Ca 0.00 -2.10 -0.05 0.00 -1.01 0.00 0.00 57.07 53.91 2pqe s TYR 113 Cb 0.00 -1.68 0.14 0.00 -0.11 0.00 0.00 41.96 40.31 2pqe s TYR 113 CO 0.00 -0.82 0.36 0.08 -1.11 0.00 0.00 175.55 174.06 2pqe s VAL 114 N 0.83 3.83 -0.43 0.71 1.01 -1.26 -4.92 120.40 120.17 2pqe s VAL 114 Ca 0.15 -2.30 0.03 0.00 0.00 0.00 0.00 61.98 59.87 2pqe s VAL 114 Cb -0.22 -3.54 0.58 0.00 0.00 0.00 0.00 36.38 33.20 2pqe s VAL 114 CO -0.07 -0.80 1.85 0.00 0.00 0.00 0.00 175.10 176.09 2pqe n TYR 115 N 4.29 2.78 -0.09 5.22 4.11 -1.26 -4.19 117.16 128.02 2pqe n TYR 115 Ca 0.00 -1.85 -0.07 0.00 -0.00 0.00 0.00 57.90 55.99 2pqe n TYR 115 Cb 0.40 -0.94 -0.16 0.00 -0.00 0.00 0.00 39.34 38.65 2pqe n TYR 115 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.86 178.49 2pqe n LYS 116 N -0.94 0.74 0.00 -3.48 4.76 -1.26 -4.98 118.16 112.99 2pqe n LYS 116 Ca 0.54 -0.03 0.00 0.00 -2.87 0.00 0.00 58.31 55.95 2pqe n LYS 116 Cb 1.45 -1.51 0.00 0.00 -1.84 0.00 0.00 35.03 33.13 2pqe n LYS 116 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2pqe n GLY 117 N 1.71 0.37 3.58 0.72 0.00 -1.26 -4.82 105.19 105.49 2pqe n GLY 117 Ca -0.29 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.49 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 0.00 4.54 -0.22 1.61 2.47 -1.26 -4.23 114.94 117.84 2pqe s ASN 118 Ca 0.00 -1.35 0.21 0.00 0.42 0.00 0.00 52.86 52.13 2pqe s ASN 118 Cb 0.00 -2.59 0.49 0.00 -1.45 0.00 0.00 41.25 37.70 2pqe s ASN 118 CO 0.00 -3.57 1.14 -0.46 -3.72 0.00 0.00 177.10 170.48 2pqe n ASN 119 N 16.03 2.01 -0.12 -4.21 6.94 -1.26 -4.76 115.26 129.88 2pqe n ASN 119 Ca 0.44 -2.36 -0.25 0.00 -0.02 0.00 0.00 54.58 52.39 2pqe n ASN 119 Cb 0.47 -0.43 -0.11 0.00 -2.36 0.00 0.00 39.78 37.34 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 -0.46 1.53 1.22 5.53 -1.04 -1.26 -4.35 114.28 115.45 2pqe n THR 120 Ca 0.13 -0.17 0.14 0.00 -2.04 0.00 0.00 64.05 62.10 2pqe n THR 120 Cb 0.88 -1.98 0.53 0.00 -1.82 0.00 0.00 70.33 67.94 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 -4.36 0.00 -0.11 -1.42 8.25 -1.26 -4.00 115.22 112.32 2pqe n HIS 121 Ca -0.41 0.00 0.27 0.00 -0.26 0.00 0.00 57.72 57.32 2pqe n HIS 121 Cb 0.77 -0.27 0.69 0.00 1.12 0.00 0.00 29.99 32.30 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 0.34 0.00 -0.09 -0.41 4.22 -1.88 0.12 114.58 116.89 2pqe h GLU 122 Ca 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 59.36 59.43 2pqe h GLU 122 Cb 0.42 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.67 2pqe h GLU 122 CO 0.00 0.00 0.01 -0.56 -2.18 0.00 0.00 179.01 176.28 2pqe h GLN 123 N 0.00 0.15 -0.18 1.92 3.07 -1.86 -1.89 115.11 116.32 2pqe h GLN 123 Ca 0.38 -0.04 -0.12 0.00 0.09 0.00 0.00 58.65 58.96 2pqe h GLN 123 Cb 1.86 -0.02 -0.01 0.00 0.08 0.00 0.00 27.48 29.39 2pqe h GLN 123 CO -0.00 0.37 -0.39 -0.07 0.09 0.00 0.00 178.83 178.82 2pqe h LEU 124 N -0.09 0.41 0.20 0.06 3.38 -1.09 -2.67 115.31 115.51 2pqe h LEU 124 Ca 0.03 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 57.81 2pqe h LEU 124 Cb 0.29 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.93 2pqe h LEU 124 CO 0.00 0.77 -0.10 -0.07 0.09 0.00 0.00 178.44 179.14 2pqe h LEU 125 N 0.33 -0.23 -0.87 1.67 4.07 -1.17 0.11 115.31 119.22 2pqe h LEU 125 Ca 0.03 -0.00 0.01 0.00 0.08 0.00 0.00 57.88 58.00 2pqe h LEU 125 Cb 0.84 0.06 -0.04 0.00 1.08 0.00 0.00 40.66 42.59 2pqe h LEU 125 CO 0.07 -0.15 0.58 -0.09 -1.08 0.00 0.00 178.44 177.76 2pqe h ARG 126 N -0.28 1.14 -0.55 1.13 9.65 -1.32 0.77 114.38 124.93 2pqe h ARG 126 Ca -0.03 -0.07 -0.02 0.00 -1.10 0.00 0.00 59.98 58.76 2pqe h ARG 126 Cb 0.21 -0.26 -0.03 0.00 -1.39 0.00 0.00 29.97 28.51 2pqe h ARG 126 CO 0.04 0.75 0.26 0.87 2.80 0.00 0.00 179.97 184.70 2pqe h LYS 127 N 1.17 0.80 -0.04 0.20 6.56 -1.22 0.74 116.57 124.79 2pqe h LYS 127 Ca 0.32 -0.12 -0.23 0.00 -1.06 0.00 0.00 60.65 59.55 2pqe h LYS 127 Cb -0.13 -0.14 0.01 0.00 -0.57 0.00 0.00 32.23 31.40 2pqe h LYS 127 CO -0.07 0.66 -0.92 0.66 -2.06 0.00 0.00 179.45 177.72 2pqe h SER 128 N 0.74 0.74 -0.24 0.86 4.64 -0.50 -2.64 113.55 117.15 2pqe h SER 128 Ca 0.19 -0.56 -0.12 0.00 -0.47 0.00 0.00 61.79 60.83 2pqe h SER 128 Cb 0.13 -0.23 -0.00 0.00 -0.31 0.00 0.00 62.40 61.99 2pqe h SER 128 CO -0.02 1.35 -0.31 -0.08 -0.87 0.00 0.00 176.83 176.90 2pqe h GLU 129 N 0.36 0.63 -0.47 4.77 4.22 0.73 -2.51 114.58 122.32 2pqe h GLU 129 Ca -0.09 -0.36 -0.01 0.00 0.08 0.00 0.00 59.36 58.99 2pqe h GLU 129 Cb 1.55 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.81 2pqe h GLU 129 CO 0.17 0.97 0.27 0.00 -2.18 0.00 0.00 179.01 178.24 2pqe h ALA 130 N 0.65 0.60 -0.63 2.92 0.00 0.44 0.14 119.26 123.38 2pqe h ALA 130 Ca 0.03 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 2pqe h ALA 130 Cb 0.89 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 2pqe h ALA 130 CO 0.07 0.10 0.37 1.96 0.00 0.00 0.00 179.25 181.76 2pqe h GLN 131 N 0.62 0.85 0.00 0.00 4.20 -1.48 0.11 115.11 119.41 2pqe h GLN 131 Ca 0.17 -0.08 -0.11 0.00 0.06 0.00 0.00 58.65 58.68 2pqe h GLN 131 Cb 0.02 -0.18 -0.02 0.00 0.30 0.00 0.00 27.48 27.61 2pqe h GLN 131 CO -0.03 0.61 -0.53 0.00 -0.67 0.00 0.00 178.83 178.21 2pqe h ALA 132 N 1.19 1.12 0.03 3.87 0.00 -1.15 -2.37 119.26 121.94 2pqe h ALA 132 Ca 0.22 -0.48 -0.00 0.00 0.00 0.00 0.00 54.91 54.65 2pqe h ALA 132 Cb -0.02 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.69 2pqe h ALA 132 CO -0.04 0.66 -0.01 -0.22 0.00 0.00 0.00 179.25 179.64 2pqe h LYS 133 N 0.00 -0.04 -0.92 0.00 3.11 -0.14 0.44 116.57 119.01 2pqe h LYS 133 Ca -0.01 0.00 0.02 0.00 -2.81 0.00 0.00 60.65 57.86 2pqe h LYS 133 Cb 0.94 0.01 -0.05 0.00 -1.00 0.00 0.00 32.23 32.13 2pqe h LYS 133 CO 0.07 0.61 0.60 1.57 -2.81 0.00 0.00 179.45 179.50 2pqe h LYS 134 N -0.75 1.17 0.00 1.90 2.10 -0.83 -2.29 116.57 117.87 2pqe h LYS 134 Ca -0.00 -0.07 -0.03 0.00 -2.00 0.00 0.00 60.65 58.54 2pqe h LYS 134 Cb 0.67 -0.26 -0.01 0.00 -0.90 0.00 0.00 32.23 31.73 2pqe h LYS 134 CO 0.01 0.77 -0.66 0.93 -2.00 0.00 0.00 179.45 178.50 2pqe h GLU 135 N 1.20 0.00 -5.26 0.07 4.39 -1.50 -3.49 114.58 109.99 2pqe h GLU 135 Ca 0.35 0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.97 2pqe h GLU 135 Cb -0.07 0.00 0.07 0.00 -0.10 0.00 0.00 28.75 28.65 2pqe h GLU 135 CO -0.10 0.09 -0.28 1.63 -1.16 0.00 0.00 179.01 179.19 2pqe n LYS 136 N -2.91 -1.55 0.00 2.33 4.76 0.15 -4.99 118.16 115.95 2pqe n LYS 136 Ca 0.00 1.22 0.00 0.00 -2.87 0.00 0.00 58.31 56.67 2pqe n LYS 136 Cb 0.60 -5.54 0.00 0.00 -1.84 0.00 0.00 35.03 28.25 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 -2.21 0.34 0.00 -0.35 4.77 -0.71 -4.55 117.00 114.28 2pqe n LEU 137 Ca -0.02 0.66 0.00 0.00 -0.03 0.00 0.00 56.01 56.61 2pqe n LEU 137 Cb 0.54 -0.29 0.00 0.00 -2.33 0.00 0.00 43.42 41.34 2pqe n LEU 137 CO 0.52 -0.29 0.00 0.59 -1.33 0.00 0.00 177.39 176.88 2pqe n ASN 138 N -1.37 0.00 -0.24 -1.43 3.02 -1.26 -4.75 115.26 109.24 2pqe n ASN 138 Ca 0.00 0.00 0.17 0.00 -0.03 0.00 0.00 54.58 54.72 2pqe n ASN 138 Cb 0.00 0.00 0.48 0.00 -0.61 0.00 0.00 39.78 39.65 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 0.73 -0.93 2.41 3.07 -1.14 0.16 117.51 121.81 2pqe h ILE 139 Ca 0.00 -0.16 -0.51 0.00 1.55 0.00 0.00 64.86 65.73 2pqe h ILE 139 Cb 0.00 0.22 -0.28 0.00 -0.27 0.00 0.00 36.82 36.48 2pqe h ILE 139 CO 0.00 0.09 0.66 0.79 -1.05 0.00 0.00 178.15 178.63 2pqe n TRP 140 N -4.52 2.89 -1.45 0.16 5.03 -1.26 -4.35 117.44 113.94 2pqe n TRP 140 Ca 0.18 -1.99 -0.07 0.00 3.03 0.00 0.00 57.50 58.65 2pqe n TRP 140 Cb 0.62 -1.00 0.19 0.00 -1.03 0.00 0.00 31.31 30.09 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 -0.98 2.64 -1.36 -0.99 2.88 0.55 -4.26 113.62 112.11 2pqe n SER 141 Ca 0.56 -3.78 -0.02 0.00 -1.33 0.00 0.00 58.87 54.30 2pqe n SER 141 Cb 1.41 -0.66 0.01 0.00 -0.75 0.00 0.00 64.21 64.22 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 -1.13 0.30 -3.68 -1.46 0.28 -1.26 -5.02 120.64 108.66 2pqe n GLU 142 Ca 0.37 -0.48 -0.38 0.00 -0.16 0.00 0.00 57.16 56.51 2pqe n GLU 142 Cb 1.11 0.34 -0.10 0.00 1.43 0.00 0.00 31.44 34.23 2pqe n GLU 142 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 2pqe s ASP 143 N -0.46 5.43 -0.08 -1.84 -1.08 -1.26 -4.85 116.67 112.53 2pqe s ASP 143 Ca 0.02 -2.31 0.01 0.00 -0.52 0.00 0.00 52.55 49.74 2pqe s ASP 143 Cb 0.10 -1.90 -0.05 0.00 -1.46 0.00 0.00 42.92 39.61 2pqe s ASP 143 CO -0.03 -0.52 -0.07 -3.20 0.52 0.00 0.00 175.17 171.87 2pqe n ASN 144 N 4.26 3.38 -1.46 -0.34 5.15 -1.26 -5.13 115.26 119.86 2pqe n ASN 144 Ca 0.01 -0.04 0.20 0.00 -0.60 0.00 0.00 54.58 54.14 2pqe n ASN 144 Cb 0.40 -0.09 -0.05 0.00 -0.53 0.00 0.00 39.78 39.51 2pqe n ASN 144 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2pqe n ALA 145 N -2.71 -3.79 -2.65 5.20 0.00 -1.26 -4.45 120.51 110.85 2pqe n ALA 145 Ca -0.14 0.48 -0.42 0.00 0.00 0.00 0.00 53.44 53.37 2pqe n ALA 145 Cb 0.65 -1.32 -0.03 0.00 0.00 0.00 0.00 19.45 18.75 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 -7.21 6.17 -0.05 0.00 1.11 -1.26 -4.89 116.67 110.54 2pqe s ASP 146 Ca 0.00 -0.63 -0.04 0.00 0.18 0.00 0.00 52.55 52.07 2pqe s ASP 146 Cb 0.00 -2.51 -0.02 0.00 1.07 0.00 0.00 42.92 41.46 2pqe s ASP 146 CO 0.00 -1.70 0.21 0.77 1.18 0.00 0.00 175.17 175.62 2pqe h SER 147 N 9.87 -0.11 -3.38 0.27 4.64 -2.05 -3.48 113.55 119.32 2pqe h SER 147 Ca -0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.04 2pqe h SER 147 Cb 1.06 0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.17 2pqe h SER 147 CO 1.25 0.18 0.00 0.61 -0.87 0.00 0.00 176.83 178.00 2pqe n GLY 148 N 1.36 3.31 3.98 -0.77 0.00 -1.26 -5.31 105.19 106.50 2pqe n GLY 148 Ca -0.02 -2.18 0.00 0.00 0.00 0.00 0.00 46.02 43.83 2pqe n GLY 148 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14