#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 -0.06 -1.39 0.00 -4.23 -1.26 -4.86 115.64 103.84 2pqe s THR 2 Ca 0.00 0.19 -0.07 0.00 -1.18 0.00 0.00 61.69 60.63 2pqe s THR 2 Cb 0.00 -0.26 0.01 0.00 1.34 0.00 0.00 72.50 73.59 2pqe s THR 2 CO 0.00 0.08 0.96 -0.24 -0.54 0.00 0.00 174.62 174.88 2pqe n SER 3 N 4.29 -6.19 -2.15 3.99 2.88 -1.26 -4.91 113.62 110.27 2pqe n SER 3 Ca -0.25 -0.44 -0.07 0.00 -1.33 0.00 0.00 58.87 56.78 2pqe n SER 3 Cb 0.52 -4.88 0.05 0.00 -0.75 0.00 0.00 64.21 59.15 2pqe n SER 3 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 2pqe n THR 4 N -4.79 1.65 -4.38 2.46 -1.04 -1.26 -5.06 114.28 101.86 2pqe n THR 4 Ca -0.03 -3.16 -0.24 0.00 -2.04 0.00 0.00 64.05 58.58 2pqe n THR 4 Cb 0.58 0.25 -0.13 0.00 -1.82 0.00 0.00 70.33 69.21 2pqe n THR 4 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 2pqe s LYS 5 N -3.19 1.16 -0.02 -2.82 1.02 -1.26 -5.14 119.74 109.48 2pqe s LYS 5 Ca 0.37 -1.06 -0.30 0.00 0.02 0.00 0.00 55.97 55.00 2pqe s LYS 5 Cb 0.37 -1.36 0.11 0.00 -0.52 0.00 0.00 37.83 36.43 2pqe s LYS 5 CO -0.03 0.32 1.00 0.15 -0.92 0.00 0.00 175.35 175.87 2pqe s LYS 6 N -1.65 0.73 0.64 1.68 1.02 -1.26 -5.18 119.74 115.73 2pqe s LYS 6 Ca 0.06 -0.31 -0.11 0.00 0.02 0.00 0.00 55.97 55.63 2pqe s LYS 6 Cb -0.10 0.31 0.15 0.00 -0.52 0.00 0.00 37.83 37.68 2pqe s LYS 6 CO 0.03 -0.32 0.75 1.28 -0.92 0.00 0.00 175.35 176.17 2pqe n LEU 7 N -0.26 0.00 -4.23 3.17 4.32 -1.26 -5.06 117.00 113.69 2pqe n LEU 7 Ca -0.06 -0.81 -0.34 0.00 -0.02 0.00 0.00 56.01 54.78 2pqe n LEU 7 Cb 0.61 -0.61 -0.15 0.00 -1.62 0.00 0.00 43.42 41.65 2pqe n LEU 7 CO 0.11 -1.30 -0.45 -2.28 -1.22 0.00 0.00 177.39 172.24 2pqe s HIS 8 N -2.54 2.87 0.48 -1.77 2.46 -1.26 -5.11 115.29 110.41 2pqe s HIS 8 Ca 0.44 -1.23 -0.12 0.00 0.47 0.00 0.00 55.06 54.62 2pqe s HIS 8 Cb -0.02 -2.01 -0.06 0.00 -0.13 0.00 0.00 32.58 30.36 2pqe s HIS 8 CO 0.32 -0.64 0.89 0.15 -2.47 0.00 0.00 174.74 172.99 2pqe s LYS 9 N 1.33 3.80 -0.30 2.88 1.02 -1.26 -4.77 119.74 122.43 2pqe s LYS 9 Ca 0.04 0.68 -0.17 0.00 0.02 0.00 0.00 55.97 56.54 2pqe s LYS 9 Cb -0.14 -2.25 0.19 0.00 -0.52 0.00 0.00 37.83 35.11 2pqe s LYS 9 CO -0.07 -0.22 1.17 -2.00 -0.92 0.00 0.00 175.35 173.31 2pqe s GLU 10 N -4.20 0.15 0.00 1.68 2.12 0.15 -4.79 118.70 113.82 2pqe s GLU 10 Ca 0.54 0.29 0.00 0.00 0.36 0.00 0.00 54.97 56.17 2pqe s GLU 10 Cb -0.10 0.09 0.00 0.00 0.26 0.00 0.00 34.13 34.38 2pqe s GLU 10 CO 0.36 -0.04 0.00 0.00 -0.54 0.00 0.00 175.26 175.04 2pqe n ALA 11 N 3.81 0.52 0.00 6.30 0.00 -1.26 -2.30 120.51 127.58 2pqe n ALA 11 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.30 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 -3.46 0.00 0.00 -1.05 -4.05 120.51 108.95 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 -0.07 0.00 0.00 0.00 0.00 19.45 19.38 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 0.01 -0.15 0.00 2.01 -1.07 -4.30 115.64 112.14 2pqe s THR 13 Ca 0.00 -0.09 -0.12 0.00 0.31 0.00 0.00 61.69 61.79 2pqe s THR 13 Cb 0.00 -0.86 -0.05 0.00 0.01 0.00 0.00 72.50 71.60 2pqe s THR 13 CO 0.00 -0.05 0.25 -0.22 -0.69 0.00 0.00 174.62 173.91 2pqe s LEU 14 N -0.60 4.27 -0.15 4.42 0.20 -1.26 0.19 118.68 125.75 2pqe s LEU 14 Ca -0.07 0.47 -0.24 0.00 0.69 0.00 0.00 54.13 54.98 2pqe s LEU 14 Cb -0.03 -2.29 -0.21 0.00 -0.43 0.00 0.00 46.19 43.23 2pqe s LEU 14 CO 0.05 0.16 0.54 0.40 -0.29 0.00 0.00 176.35 177.22 2pqe h ILE 15 N 4.54 1.37 -1.07 6.68 5.03 -0.43 -3.46 117.51 130.17 2pqe h ILE 15 Ca -0.43 -2.12 0.22 0.00 -0.12 0.00 0.00 64.86 62.40 2pqe h ILE 15 Cb 1.17 2.68 -0.30 0.00 -3.03 0.00 0.00 36.82 37.34 2pqe h ILE 15 CO 0.73 0.46 0.92 -0.75 -0.68 0.00 0.00 178.15 178.83 2pqe s LYS 16 N -2.18 0.07 0.46 2.37 2.47 -1.04 -5.01 119.74 116.88 2pqe s LYS 16 Ca -0.19 0.04 -0.16 0.00 -1.56 0.00 0.00 55.97 54.10 2pqe s LYS 16 Cb -0.01 0.03 -0.08 0.00 -1.46 0.00 0.00 37.83 36.31 2pqe s LYS 16 CO 0.58 -0.02 0.92 0.00 0.16 0.00 0.00 175.35 177.00 2pqe s ALA 17 N -0.57 3.13 -0.06 3.13 0.00 -1.26 0.52 121.76 126.64 2pqe s ALA 17 Ca 0.08 0.16 -0.07 0.00 0.00 0.00 0.00 51.96 52.13 2pqe s ALA 17 Cb -0.03 -3.03 -0.04 0.00 0.00 0.00 0.00 23.12 20.03 2pqe s ALA 17 CO -0.11 -0.07 -0.15 -0.89 0.00 0.00 0.00 175.76 174.53 2pqe n ILE 18 N -1.23 1.11 -2.99 0.00 5.41 0.39 -4.83 119.36 117.23 2pqe n ILE 18 Ca 0.06 0.13 -0.15 0.00 1.00 0.00 0.00 62.75 63.79 2pqe n ILE 18 Cb 0.54 -1.83 -0.01 0.00 -0.71 0.00 0.00 39.64 37.63 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 -3.78 1.04 0.00 4.38 -0.08 0.08 -4.97 116.55 113.21 2pqe n ASP 19 Ca -0.13 -2.90 0.00 0.00 -1.51 0.00 0.00 54.79 50.26 2pqe n ASP 19 Cb 0.39 -0.57 0.00 0.00 2.34 0.00 0.00 41.12 43.28 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 0.15 0.36 0.07 0.27 0.00 -1.23 -3.22 105.19 101.59 2pqe n GLY 20 Ca 0.19 -0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.15 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 0.00 -3.32 1.61 3.04 -1.84 -3.42 116.42 112.49 2pqe h ASP 21 Ca 0.00 0.00 -0.72 0.00 -3.24 0.00 0.00 57.03 53.07 2pqe h ASP 21 Cb 0.00 0.00 -0.21 0.00 -1.04 0.00 0.00 39.33 38.08 2pqe h ASP 21 CO 0.00 0.92 -0.21 -0.89 -2.04 0.00 0.00 179.24 177.01 2pqe s THR 22 N -2.74 5.12 0.05 1.15 2.01 -1.20 0.32 115.64 120.35 2pqe s THR 22 Ca 0.00 -0.81 0.04 0.00 0.31 0.00 0.00 61.69 61.23 2pqe s THR 22 Cb 0.09 -4.16 -0.02 0.00 0.01 0.00 0.00 72.50 68.42 2pqe s THR 22 CO 0.81 -0.62 -0.12 0.68 -0.69 0.00 0.00 174.62 174.69 2pqe s VAL 23 N 1.97 0.90 -0.53 3.82 -7.23 0.99 0.15 120.40 120.47 2pqe s VAL 23 Ca 0.08 -1.07 -0.25 0.00 -1.81 0.00 0.00 61.98 58.93 2pqe s VAL 23 Cb -0.22 -0.87 0.04 0.00 0.56 0.00 0.00 36.38 35.89 2pqe s VAL 23 CO 0.09 -0.18 0.98 -0.54 -0.31 0.00 0.00 175.10 175.14 2pqe s LYS 24 N -1.40 3.41 -0.16 4.82 1.02 0.18 0.11 119.74 127.72 2pqe s LYS 24 Ca -0.03 -0.08 -0.02 0.00 0.02 0.00 0.00 55.97 55.86 2pqe s LYS 24 Cb -0.09 -4.02 -0.02 0.00 -0.52 0.00 0.00 37.83 33.19 2pqe s LYS 24 CO 0.01 -1.45 -0.08 -1.17 -0.92 0.00 0.00 175.35 171.74 2pqe s LEU 25 N 4.06 2.90 -0.80 3.17 0.20 0.34 0.37 118.68 128.92 2pqe s LEU 25 Ca 0.34 -0.30 -0.26 0.00 0.69 0.00 0.00 54.13 54.61 2pqe s LEU 25 Cb -0.11 -1.69 0.02 0.00 -0.43 0.00 0.00 46.19 43.98 2pqe s LEU 25 CO 0.22 0.11 1.49 -0.32 -0.29 0.00 0.00 176.35 177.56 2pqe s MET 26 N 0.68 3.13 -0.02 1.98 1.75 0.51 -1.75 119.30 125.59 2pqe s MET 26 Ca -0.04 -0.31 -0.02 0.00 -1.25 0.00 0.00 55.69 54.07 2pqe s MET 26 Cb -0.15 -4.59 -0.04 0.00 2.84 0.00 0.00 34.83 32.89 2pqe s MET 26 CO 0.02 -2.39 0.12 -0.47 -0.65 0.00 0.00 175.02 171.66 2pqe s TYR 27 N 6.56 3.41 -0.43 4.11 6.14 0.17 -2.58 117.35 134.72 2pqe s TYR 27 Ca 0.47 0.29 0.00 0.00 0.64 0.00 0.00 57.07 58.46 2pqe s TYR 27 Cb -0.07 -1.79 0.00 0.00 0.42 0.00 0.00 41.96 40.53 2pqe s TYR 27 CO 0.08 0.60 0.00 0.36 0.64 0.00 0.00 175.55 177.23 2pqe n LYS 28 N 1.16 -2.37 -0.71 4.97 2.85 -1.26 0.12 118.16 122.92 2pqe n LYS 28 Ca -0.13 0.24 0.00 0.00 -1.05 0.00 0.00 58.31 57.37 2pqe n LYS 28 Cb 0.53 -4.69 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 0.57 2.87 2.58 0.00 -1.26 -5.06 105.19 104.37 2pqe n GLY 29 Ca -0.05 -0.70 -0.16 0.00 0.00 0.00 0.00 46.02 45.11 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 -1.30 0.32 -0.78 1.61 -2.07 0.32 -5.10 119.66 112.67 2pqe s GLN 30 Ca 0.00 -0.02 -0.26 0.00 -1.82 0.00 0.00 55.36 53.26 2pqe s GLN 30 Cb 0.00 -0.41 0.03 0.00 -1.09 0.00 0.00 33.01 31.53 2pqe s GLN 30 CO 0.00 -0.05 1.40 0.00 -1.32 0.00 0.00 175.29 175.32 2pqe s ALA 31 N 0.56 2.64 0.16 2.60 0.00 -1.26 0.42 121.76 126.88 2pqe s ALA 31 Ca -0.06 -1.44 0.08 0.00 0.00 0.00 0.00 51.96 50.54 2pqe s ALA 31 Cb -0.09 -4.32 -0.04 0.00 0.00 0.00 0.00 23.12 18.67 2pqe s ALA 31 CO -0.01 -3.46 -0.07 0.00 0.00 0.00 0.00 175.76 172.22 2pqe s MET 32 N 5.80 2.18 -0.45 0.00 0.00 -0.72 -4.91 119.30 121.22 2pqe s MET 32 Ca 0.42 -1.15 -0.29 0.00 0.00 0.00 0.00 55.69 54.67 2pqe s MET 32 Cb -0.07 -2.26 0.03 0.00 0.00 0.00 0.00 34.83 32.52 2pqe s MET 32 CO 0.11 0.46 1.13 0.99 0.00 0.00 0.00 175.02 177.71 2pqe s THR 33 N -1.57 4.26 -0.07 3.16 2.01 -1.26 -0.50 115.64 121.66 2pqe s THR 33 Ca 0.25 1.32 -0.12 0.00 0.31 0.00 0.00 61.69 63.45 2pqe s THR 33 Cb -0.10 -4.56 -0.05 0.00 0.01 0.00 0.00 72.50 67.80 2pqe s THR 33 CO 0.16 -0.90 0.30 -0.36 -0.69 0.00 0.00 174.62 173.13 2pqe s PHE 34 N 4.32 3.64 -0.13 4.92 0.40 0.30 -1.24 117.98 130.20 2pqe s PHE 34 Ca 0.48 0.78 0.03 0.00 -0.60 0.00 0.00 56.93 57.61 2pqe s PHE 34 Cb -0.08 -2.19 0.00 0.00 0.51 0.00 0.00 43.02 41.27 2pqe s PHE 34 CO 0.29 0.61 -0.21 1.03 0.70 0.00 0.00 175.22 177.63 2pqe s ARG 35 N -0.79 3.07 -0.30 0.44 1.81 -1.13 -0.01 118.95 122.05 2pqe s ARG 35 Ca 0.20 -0.84 -0.30 0.00 -1.72 0.00 0.00 55.73 53.06 2pqe s ARG 35 Cb -0.15 -2.42 -0.07 0.00 -0.45 0.00 0.00 34.95 31.86 2pqe s ARG 35 CO 0.09 0.07 2.24 1.28 -0.68 0.00 0.00 175.30 178.30 2pqe n LEU 36 N 3.86 2.77 -4.77 2.53 4.77 0.15 0.84 117.00 127.15 2pqe n LEU 36 Ca -0.19 0.19 -0.41 0.00 -0.03 0.00 0.00 56.01 55.57 2pqe n LEU 36 Cb 0.52 -1.46 -0.01 0.00 -2.33 0.00 0.00 43.42 40.14 2pqe n LEU 36 CO 0.28 -0.79 1.10 -0.22 -1.33 0.00 0.00 177.39 176.43 2pqe s LEU 37 N 8.42 4.35 -0.74 2.23 0.20 -0.47 -2.45 118.68 130.22 2pqe s LEU 37 Ca 1.04 2.93 0.00 0.00 0.69 0.00 0.00 54.13 58.78 2pqe s LEU 37 Cb -0.49 -3.66 0.00 0.00 -0.43 0.00 0.00 46.19 41.61 2pqe s LEU 37 CO 0.39 -0.78 0.00 0.18 -0.29 0.00 0.00 176.35 175.85 2pqe n LEU 38 N 0.80 -0.72 -3.93 -0.68 4.77 -1.26 -4.80 117.00 111.18 2pqe n LEU 38 Ca 0.02 0.27 -0.10 0.00 -0.03 0.00 0.00 56.01 56.17 2pqe n LEU 38 Cb 0.40 -1.68 -0.12 0.00 -2.33 0.00 0.00 43.42 39.69 2pqe n LEU 38 CO 0.62 -0.17 -0.34 -0.69 -1.33 0.00 0.00 177.39 175.49 2pqe s VAL 39 N -2.23 0.07 -0.22 4.08 1.01 -1.03 -1.95 120.40 120.13 2pqe s VAL 39 Ca 0.00 -0.57 -0.01 0.00 0.00 0.00 0.00 61.98 61.39 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 -0.31 0.01 -0.62 0.00 0.00 0.00 175.10 174.18 2pqe s ASP 40 N -0.93 3.34 -0.69 3.32 -1.08 -0.34 -4.37 116.67 115.91 2pqe s ASP 40 Ca -0.10 -1.03 -0.04 0.00 -0.52 0.00 0.00 52.55 50.86 2pqe s ASP 40 Cb -0.06 -0.81 0.18 0.00 -1.46 0.00 0.00 42.92 40.76 2pqe s ASP 40 CO -0.00 -0.30 0.53 -0.89 0.52 0.00 0.00 175.17 175.03 2pqe s THR 41 N 1.68 4.01 0.31 1.71 2.01 -1.26 -0.95 115.64 123.15 2pqe s THR 41 Ca -0.01 -3.09 0.00 0.00 0.31 0.00 0.00 61.69 58.90 2pqe s THR 41 Cb -0.18 -3.57 0.00 0.00 0.01 0.00 0.00 72.50 68.76 2pqe s THR 41 CO -0.09 -0.93 0.00 0.00 -0.69 0.00 0.00 174.62 172.91 2pqe n ALA 42 N 3.31 -1.80 -2.66 7.40 0.00 -1.26 -3.25 120.51 122.25 2pqe n ALA 42 Ca 0.11 0.27 -0.04 0.00 0.00 0.00 0.00 53.44 53.79 2pqe n ALA 42 Cb 0.38 -1.04 -0.01 0.00 0.00 0.00 0.00 19.45 18.78 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 -0.89 0.17 -2.34 0.00 4.07 -1.26 -4.74 120.64 115.65 2pqe n GLU 43 Ca 0.00 -0.69 -0.40 0.00 -0.06 0.00 0.00 57.16 56.01 2pqe n GLU 43 Cb 0.00 -0.01 -0.03 0.00 -0.06 0.00 0.00 31.44 31.34 2pqe n GLU 43 CO 0.00 0.00 0.00 0.95 -0.06 0.00 0.00 177.13 178.02 2pqe s THR 44 N 0.03 3.58 -0.36 6.31 -4.23 -1.26 -4.82 115.64 114.89 2pqe s THR 44 Ca 0.04 0.26 0.09 0.00 -1.18 0.00 0.00 61.69 60.90 2pqe s THR 44 Cb 0.07 -4.53 0.67 0.00 1.34 0.00 0.00 72.50 70.04 2pqe s THR 44 CO -0.02 -1.48 1.65 2.29 -0.54 0.00 0.00 174.62 176.53 2pqe n LYS 45 N 9.27 3.60 -0.01 3.99 -0.00 -1.26 -4.08 118.16 129.68 2pqe n LYS 45 Ca 0.12 -2.68 -0.01 0.00 -0.00 0.00 0.00 58.31 55.74 2pqe n LYS 45 Cb 0.50 -2.12 -0.02 0.00 -0.00 0.00 0.00 35.03 33.40 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 0.05 0.00 -2.28 5.58 -0.00 -1.26 -5.08 115.22 112.22 2pqe n HIS 46 Ca 0.33 0.00 -0.02 0.00 0.46 0.00 0.00 57.72 58.49 2pqe n HIS 46 Cb 1.22 -0.11 0.00 0.00 -0.12 0.00 0.00 29.99 30.98 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 -2.04 -6.36 -0.12 3.57 -1.04 -1.26 -5.02 114.28 102.01 2pqe n THR 47 Ca -0.04 0.15 -0.23 0.00 -2.04 0.00 0.00 64.05 61.89 2pqe n THR 47 Cb 0.53 -5.54 -0.09 0.00 -1.82 0.00 0.00 70.33 63.41 2pqe n THR 47 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 2pqe n LYS 48 N -0.95 0.57 0.00 -2.82 5.02 -1.26 -5.01 118.16 113.70 2pqe n LYS 48 Ca 0.03 0.39 0.00 0.00 -2.02 0.00 0.00 58.31 56.71 2pqe n LYS 48 Cb 0.38 -1.59 0.00 0.00 -0.02 0.00 0.00 35.03 33.80 2pqe n LYS 48 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 2pqe n LYS 49 N -4.36 0.00 0.00 1.97 -0.00 -1.26 -5.02 118.16 109.48 2pqe n LYS 49 Ca -0.39 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 57.92 2pqe n LYS 49 Cb 0.74 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.77 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 -0.57 2.00 1.09 2.58 0.00 -1.26 -5.03 105.19 104.00 2pqe n GLY 50 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.11 0.00 0.59 1.61 0.31 -1.26 -3.91 118.33 115.56 2pqe n VAL 51 Ca 0.00 -0.31 0.12 0.00 -0.01 0.00 0.00 64.34 64.14 2pqe n VAL 51 Cb 0.00 0.61 0.28 0.00 -0.91 0.00 0.00 33.84 33.83 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 0.16 0.28 -1.46 5.55 0.28 -1.26 -4.51 120.64 119.68 2pqe n GLU 52 Ca -0.13 0.16 -0.01 0.00 -0.16 0.00 0.00 57.16 57.01 2pqe n GLU 52 Cb 0.82 -1.75 0.02 0.00 1.43 0.00 0.00 31.44 31.96 2pqe n GLU 52 CO 0.00 0.00 0.00 0.36 -0.16 0.00 0.00 177.13 177.33 2pqe n LYS 53 N -2.21 0.25 -3.55 3.44 -0.00 -1.26 -4.98 118.16 109.85 2pqe n LYS 53 Ca 0.04 -0.29 -0.23 0.00 -0.00 0.00 0.00 58.31 57.83 2pqe n LYS 53 Cb 0.44 0.22 0.08 0.00 -0.00 0.00 0.00 35.03 35.76 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 -0.28 -2.77 0.02 5.58 4.02 -1.26 -4.67 117.16 117.79 2pqe n TYR 54 Ca -0.05 0.97 -0.09 0.00 -0.01 0.00 0.00 57.90 58.72 2pqe n TYR 54 Cb 0.53 -4.87 0.06 0.00 -0.02 0.00 0.00 39.34 35.04 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 -2.59 0.55 1.98 2.72 0.00 -1.93 -0.96 103.07 102.84 2pqe h GLY 55 Ca -0.54 -0.66 -0.19 0.00 0.00 0.00 0.00 47.33 45.93 2pqe h GLY 55 CO 0.54 0.59 -0.91 0.00 0.00 0.00 0.00 176.54 176.76 2pqe h ALA 56 N 0.99 0.50 0.00 3.60 0.00 -1.91 -3.25 119.26 119.19 2pqe h ALA 56 Ca 0.00 -0.82 -0.17 0.00 0.00 0.00 0.00 54.91 53.92 2pqe h ALA 56 Cb 1.12 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.75 2pqe h ALA 56 CO 0.11 1.11 -0.86 1.49 0.00 0.00 0.00 179.25 181.09 2pqe h GLU 57 N 0.01 0.00 -0.42 0.00 4.57 -1.84 -3.20 114.58 113.70 2pqe h GLU 57 Ca -0.01 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.15 2pqe h GLU 57 Cb 1.60 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 30.17 2pqe h GLU 57 CO 0.12 0.76 0.23 0.00 -1.18 0.00 0.00 179.01 178.94 2pqe h ALA 58 N 1.21 0.55 -0.36 2.92 0.00 -1.20 -0.89 119.26 121.48 2pqe h ALA 58 Ca -0.03 -0.09 -0.10 0.00 0.00 0.00 0.00 54.91 54.69 2pqe h ALA 58 Cb 1.63 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 19.23 2pqe h ALA 58 CO 0.10 0.08 -0.21 1.03 0.00 0.00 0.00 179.25 180.25 2pqe h SER 59 N 0.55 0.69 -0.23 0.00 0.87 -1.65 -2.66 113.55 111.12 2pqe h SER 59 Ca 0.15 -0.24 -0.02 0.00 -1.23 0.00 0.00 61.79 60.45 2pqe h SER 59 Cb 0.07 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 61.83 2pqe h SER 59 CO -0.02 0.89 0.07 0.00 -0.53 0.00 0.00 176.83 177.25 2pqe h ALA 60 N 1.16 0.30 -0.34 6.23 0.00 -1.47 0.72 119.26 125.86 2pqe h ALA 60 Ca 0.09 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 54.90 2pqe h ALA 60 Cb 0.69 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.35 2pqe h ALA 60 CO 0.05 -0.08 0.12 0.35 0.00 0.00 0.00 179.25 179.69 2pqe h PHE 61 N 0.20 0.22 -0.03 0.00 3.04 -1.08 0.77 116.94 120.05 2pqe h PHE 61 Ca 0.07 0.02 -0.18 0.00 3.98 0.00 0.00 57.97 61.87 2pqe h PHE 61 Cb 0.23 -0.05 -0.01 0.00 2.56 0.00 0.00 35.95 38.68 2pqe h PHE 61 CO 0.00 0.09 -0.75 1.15 -2.02 0.00 0.00 178.31 176.78 2pqe h THR 62 N 0.27 1.44 -0.19 4.41 2.02 -1.37 -0.87 112.91 118.62 2pqe h THR 62 Ca 0.15 -2.32 -0.12 0.00 0.77 0.00 0.00 66.41 64.89 2pqe h THR 62 Cb 0.12 2.25 0.00 0.00 -1.74 0.00 0.00 68.15 68.78 2pqe h THR 62 CO -0.16 0.68 -0.33 0.50 0.37 0.00 0.00 175.52 176.58 2pqe h LYS 63 N 0.15 0.55 0.00 6.66 3.64 0.10 -1.55 116.57 126.13 2pqe h LYS 63 Ca -0.03 -0.35 -0.20 0.00 -1.27 0.00 0.00 60.65 58.80 2pqe h LYS 63 Cb 1.33 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 33.18 2pqe h LYS 63 CO 0.12 0.96 -0.89 1.57 -2.27 0.00 0.00 179.45 178.93 2pqe h LYS 64 N 0.21 0.22 -0.09 1.90 5.09 0.50 -0.20 116.57 124.20 2pqe h LYS 64 Ca 0.01 -0.24 -0.15 0.00 0.09 0.00 0.00 60.65 60.36 2pqe h LYS 64 Cb 0.92 0.07 -0.01 0.00 0.10 0.00 0.00 32.23 33.31 2pqe h LYS 64 CO 0.08 0.97 -0.59 1.98 -2.09 0.00 0.00 179.45 179.79 2pqe h MET 65 N 0.12 0.29 0.16 0.07 4.05 -1.18 -1.04 114.93 117.39 2pqe h MET 65 Ca -0.05 -0.19 -0.34 0.00 -0.28 0.00 0.00 59.70 58.84 2pqe h MET 65 Cb 1.52 0.03 0.00 0.00 -0.80 0.00 0.00 31.60 32.35 2pqe h MET 65 CO 0.14 0.80 -1.72 -0.39 0.23 0.00 0.00 176.91 175.96 2pqe h VAL 66 N 0.21 0.96 0.00 -5.77 -1.51 -1.29 -1.59 116.25 107.26 2pqe h VAL 66 Ca -0.00 -2.58 -0.10 0.00 -1.23 0.00 0.00 66.70 62.79 2pqe h VAL 66 Cb 1.10 2.72 -0.01 0.00 -2.13 0.00 0.00 31.29 32.97 2pqe h VAL 66 CO 0.09 0.84 -0.47 -0.33 -1.23 0.00 0.00 177.57 176.48 2pqe h GLU 67 N 0.09 0.00 0.00 5.19 4.39 -1.07 -3.18 114.58 120.00 2pqe h GLU 67 Ca -0.32 0.00 -0.23 0.00 0.34 0.00 0.00 59.36 59.15 2pqe h GLU 67 Cb 2.07 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 30.68 2pqe h GLU 67 CO 0.16 0.47 -1.89 -1.71 -1.16 0.00 0.00 179.01 174.88 2pqe n ASN 68 N -3.66 0.43 -0.36 1.42 2.85 -0.40 -4.28 115.26 111.27 2pqe n ASN 68 Ca -0.01 0.19 0.02 0.00 -0.11 0.00 0.00 54.58 54.67 2pqe n ASN 68 Cb 0.54 0.70 0.16 0.00 1.24 0.00 0.00 39.78 42.43 2pqe n ASN 68 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2pqe h ALA 69 N 1.30 1.33 0.00 5.20 0.00 -1.27 -3.45 119.26 122.38 2pqe h ALA 69 Ca -0.29 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.59 2pqe h ALA 69 Cb 1.79 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 19.28 2pqe h ALA 69 CO 0.04 0.43 0.00 1.63 0.00 0.00 0.00 179.25 181.35 2pqe n LYS 70 N -4.52 0.00 -3.82 0.00 5.02 -1.22 -4.48 118.16 109.13 2pqe n LYS 70 Ca 0.14 0.00 -0.25 0.00 -2.02 0.00 0.00 58.31 56.19 2pqe n LYS 70 Cb 0.16 -1.21 -0.17 0.00 -0.02 0.00 0.00 35.03 33.79 2pqe n LYS 70 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 2pqe s LYS 71 N 0.00 0.98 -0.03 1.97 2.20 -1.26 -4.90 119.74 118.71 2pqe s LYS 71 Ca 0.00 -0.06 0.07 0.00 -0.36 0.00 0.00 55.97 55.62 2pqe s LYS 71 Cb 0.00 -1.26 -0.02 0.00 -1.51 0.00 0.00 37.83 35.04 2pqe s LYS 71 CO 0.00 -0.30 -0.23 0.42 -0.36 0.00 0.00 175.35 174.88 2pqe s ILE 72 N 1.86 1.82 0.05 5.43 1.09 -1.26 0.68 121.20 130.86 2pqe s ILE 72 Ca 0.05 -0.97 0.05 0.00 -1.10 0.00 0.00 60.65 58.67 2pqe s ILE 72 Cb -0.13 -1.52 -0.02 0.00 -1.06 0.00 0.00 42.46 39.73 2pqe s ILE 72 CO -0.07 0.51 -0.13 -1.61 -0.10 0.00 0.00 174.94 173.55 2pqe s GLU 73 N -0.44 0.85 0.11 2.79 8.01 0.07 -2.52 118.70 127.58 2pqe s GLU 73 Ca 0.06 -0.79 0.10 0.00 0.01 0.00 0.00 54.97 54.36 2pqe s GLU 73 Cb -0.10 -0.84 -0.04 0.00 -4.31 0.00 0.00 34.13 28.84 2pqe s GLU 73 CO 0.00 0.20 -0.26 0.14 0.01 0.00 0.00 175.26 175.35 2pqe s VAL 74 N -0.97 2.14 -0.13 2.63 -7.23 -0.97 -1.04 120.40 114.83 2pqe s VAL 74 Ca -0.00 -1.66 -0.02 0.00 -1.81 0.00 0.00 61.98 58.49 2pqe s VAL 74 Cb -0.08 -1.89 0.04 0.00 0.56 0.00 0.00 36.38 35.01 2pqe s VAL 74 CO 0.01 0.10 0.00 -0.70 -0.31 0.00 0.00 175.10 174.21 2pqe s GLU 75 N -1.90 0.80 0.15 4.82 -6.30 -0.94 -0.67 118.70 114.65 2pqe s GLU 75 Ca 0.12 -0.19 -0.10 0.00 -2.50 0.00 0.00 54.97 52.30 2pqe s GLU 75 Cb -0.10 -1.56 -0.06 0.00 0.00 0.00 0.00 34.13 32.41 2pqe s GLU 75 CO 0.05 -0.44 0.48 -0.06 0.02 0.00 0.00 175.26 175.31 2pqe s PHE 76 N 1.87 3.53 0.00 5.30 0.40 -1.26 -2.14 117.98 125.68 2pqe s PHE 76 Ca 0.02 0.86 0.00 0.00 -0.60 0.00 0.00 56.93 57.21 2pqe s PHE 76 Cb -0.14 -2.22 0.00 0.00 0.51 0.00 0.00 43.02 41.16 2pqe s PHE 76 CO -0.07 0.41 0.00 -3.47 0.70 0.00 0.00 175.22 172.80 2pqe n ASP 77 N 0.48 0.00 0.17 1.36 -0.08 -1.26 -5.01 116.55 112.21 2pqe n ASP 77 Ca -0.04 -0.63 0.08 0.00 -1.51 0.00 0.00 54.79 52.69 2pqe n ASP 77 Cb 0.52 0.00 0.08 0.00 2.34 0.00 0.00 41.12 44.06 2pqe n ASP 77 CO 0.00 0.00 0.00 0.07 0.12 0.00 0.00 177.20 177.39 2pqe h LYS 78 N 0.00 0.00 0.00 -0.67 -0.00 -1.98 -3.46 116.57 110.46 2pqe h LYS 78 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.65 2pqe h LYS 78 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 32.23 2pqe h LYS 78 CO 0.00 0.17 0.00 0.41 -0.00 0.00 0.00 179.45 180.03 2pqe n GLY 79 N 1.17 -2.74 3.87 0.07 0.00 -1.25 -4.82 105.19 101.49 2pqe n GLY 79 Ca 0.02 -1.04 -0.31 0.00 0.00 0.00 0.00 46.02 44.69 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 3.85 0.14 1.61 0.00 -1.26 -4.82 119.66 119.19 2pqe s GLN 80 Ca 0.00 0.49 0.14 0.00 -0.00 0.00 0.00 55.36 56.00 2pqe s GLN 80 Cb 0.00 -2.44 -0.08 0.00 0.00 0.00 0.00 33.01 30.49 2pqe s GLN 80 CO 0.00 0.08 1.11 -0.09 0.00 0.00 0.00 175.29 176.39 2pqe h ARG 81 N 1.76 0.00 -3.59 9.60 2.43 -1.91 -3.44 114.38 119.24 2pqe h ARG 81 Ca -0.47 0.00 -0.54 0.00 -0.81 0.00 0.00 59.98 58.16 2pqe h ARG 81 Cb 1.18 0.00 -0.40 0.00 -0.42 0.00 0.00 29.97 30.33 2pqe h ARG 81 CO 0.65 0.48 -0.76 0.95 -1.51 0.00 0.00 179.97 179.78 2pqe s THR 82 N -2.88 0.66 -0.78 0.20 -4.23 -1.23 -1.24 115.64 106.14 2pqe s THR 82 Ca 0.00 -0.80 -0.13 0.00 -1.18 0.00 0.00 61.69 59.58 2pqe s THR 82 Cb 0.08 -1.23 -0.10 0.00 1.34 0.00 0.00 72.50 72.59 2pqe s THR 82 CO 0.79 -0.32 1.96 -0.67 -0.54 0.00 0.00 174.62 175.84 2pqe n ASP 83 N 4.98 3.50 -2.39 3.99 -0.08 -1.26 -4.33 116.55 120.95 2pqe n ASP 83 Ca -0.08 -2.47 -0.07 0.00 -1.51 0.00 0.00 54.79 50.66 2pqe n ASP 83 Cb 0.46 -1.06 -0.01 0.00 2.34 0.00 0.00 41.12 42.85 2pqe n ASP 83 CO 0.00 0.00 0.00 1.17 0.12 0.00 0.00 177.20 178.49 2pqe n LYS 84 N 5.58 -2.46 -0.09 -0.67 3.00 -1.26 -4.74 118.16 117.52 2pqe n LYS 84 Ca 0.44 0.36 0.03 0.00 -0.00 0.00 0.00 58.31 59.15 2pqe n LYS 84 Cb 0.25 -4.90 0.05 0.00 0.00 0.00 0.00 35.03 30.43 2pqe n LYS 84 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 2pqe n TYR 85 N -2.94 0.00 -1.70 5.64 4.02 -1.26 -4.98 117.16 115.93 2pqe n TYR 85 Ca -0.09 -0.52 -0.15 0.00 -0.01 0.00 0.00 57.90 57.13 2pqe n TYR 85 Cb 0.55 -0.08 -0.05 0.00 -0.02 0.00 0.00 39.34 39.74 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 -0.67 0.96 3.74 2.72 0.00 -1.26 -4.94 105.19 105.75 2pqe n GLY 86 Ca 0.05 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.80 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 -3.76 2.17 -0.87 1.61 3.00 -1.26 -4.91 118.95 114.92 2pqe s ARG 87 Ca 0.00 -2.05 -0.00 0.00 0.00 0.00 0.00 55.73 53.68 2pqe s ARG 87 Cb 0.00 -1.83 0.22 0.00 0.00 0.00 0.00 34.95 33.34 2pqe s ARG 87 CO 0.00 -0.23 0.79 0.41 0.00 0.00 0.00 175.30 176.27 2pqe n GLY 88 N -1.26 4.21 3.76 -3.53 0.00 -0.37 -3.51 105.19 104.49 2pqe n GLY 88 Ca -0.06 -2.61 -0.40 0.00 0.00 0.00 0.00 46.02 42.95 2pqe n GLY 88 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2pqe s LEU 89 N -1.55 4.05 0.00 0.99 0.05 -0.37 -2.84 118.68 119.01 2pqe s LEU 89 Ca 0.28 2.90 0.00 0.00 0.05 0.00 0.00 54.13 57.36 2pqe s LEU 89 Cb -0.05 -4.01 0.00 0.00 -2.05 0.00 0.00 46.19 40.08 2pqe s LEU 89 CO -0.11 -1.29 0.00 0.00 -0.55 0.00 0.00 176.35 174.40 2pqe n ALA 90 N -0.40 0.00 -2.37 1.48 0.00 0.25 -4.82 120.51 114.65 2pqe n ALA 90 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.09 2pqe n ALA 90 Cb 0.42 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.83 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 3.74 -0.14 0.00 2.02 -0.91 -1.37 117.35 118.69 2pqe s TYR 91 Ca 0.00 1.74 -0.08 0.00 -0.37 0.00 0.00 57.07 58.36 2pqe s TYR 91 Cb 0.00 -3.10 -0.04 0.00 -0.40 0.00 0.00 41.96 38.41 2pqe s TYR 91 CO 0.00 0.03 0.14 0.42 -1.57 0.00 0.00 175.55 174.57 2pqe s ILE 92 N 0.28 5.47 -0.07 2.71 -1.09 -1.26 -2.21 121.20 125.03 2pqe s ILE 92 Ca 0.49 0.22 0.00 0.00 -2.23 0.00 0.00 60.65 59.13 2pqe s ILE 92 Cb -0.23 -3.43 0.02 0.00 -1.58 0.00 0.00 42.46 37.24 2pqe s ILE 92 CO 0.30 0.57 -0.06 -0.31 -1.23 0.00 0.00 174.94 174.20 2pqe s TYR 93 N -0.64 1.09 -0.22 3.97 1.51 -0.21 -1.97 117.35 120.89 2pqe s TYR 93 Ca 0.13 -0.42 -0.07 0.00 -1.01 0.00 0.00 57.07 55.70 2pqe s TYR 93 Cb -0.12 -0.94 -0.03 0.00 -0.11 0.00 0.00 41.96 40.76 2pqe s TYR 93 CO 0.03 -0.33 0.06 0.00 -1.11 0.00 0.00 175.55 174.19 2pqe s ALA 94 N 1.31 3.20 -1.76 3.71 0.00 0.17 -0.75 121.76 127.64 2pqe s ALA 94 Ca -0.04 -1.00 -0.16 0.00 0.00 0.00 0.00 51.96 50.76 2pqe s ALA 94 Cb -0.14 -1.98 0.16 0.00 0.00 0.00 0.00 23.12 21.16 2pqe s ALA 94 CO -0.03 -0.25 0.44 -3.47 0.00 0.00 0.00 175.76 172.46 2pqe n ASP 95 N 4.44 -1.13 -0.00 0.00 -0.08 0.21 0.16 116.55 120.15 2pqe n ASP 95 Ca -0.16 -1.23 -0.00 0.00 -1.51 0.00 0.00 54.79 51.89 2pqe n ASP 95 Cb 0.52 -1.76 -0.00 0.00 2.34 0.00 0.00 41.12 42.22 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 -1.56 0.39 3.32 0.27 0.00 -1.26 -5.04 105.19 101.31 2pqe n GLY 96 Ca -0.03 -0.99 -0.32 0.00 0.00 0.00 0.00 46.02 44.69 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 -1.81 2.44 -0.34 1.61 2.47 0.41 -5.10 119.74 119.43 2pqe s LYS 97 Ca 0.00 -0.87 -0.29 0.00 -1.56 0.00 0.00 55.97 53.25 2pqe s LYS 97 Cb 0.00 -2.17 0.02 0.00 -1.46 0.00 0.00 37.83 34.21 2pqe s LYS 97 CO 0.00 0.47 1.08 1.41 0.16 0.00 0.00 175.35 178.47 2pqe s MET 98 N -0.37 4.03 0.11 4.03 1.75 -1.26 0.42 119.30 128.01 2pqe s MET 98 Ca 0.03 1.02 -0.12 0.00 -1.25 0.00 0.00 55.69 55.36 2pqe s MET 98 Cb -0.12 -3.76 -0.14 0.00 2.84 0.00 0.00 34.83 33.65 2pqe s MET 98 CO 0.02 -0.96 1.32 0.28 -0.65 0.00 0.00 175.02 175.03 2pqe h VAL 99 N 5.79 1.27 0.00 10.11 2.07 -1.78 -2.12 116.25 131.60 2pqe h VAL 99 Ca -0.21 -1.94 -0.00 0.00 0.82 0.00 0.00 66.70 65.37 2pqe h VAL 99 Cb 1.06 1.93 0.00 0.00 -1.52 0.00 0.00 31.29 32.76 2pqe h VAL 99 CO 1.04 0.62 -0.00 -0.55 0.02 0.00 0.00 177.57 178.70 2pqe h ASN 100 N 0.56 -0.00 -0.25 0.57 7.08 -1.92 -0.38 115.58 121.24 2pqe h ASN 100 Ca -0.04 -0.00 -0.04 0.00 -3.08 0.00 0.00 56.30 53.14 2pqe h ASN 100 Cb 1.38 0.00 -0.01 0.00 -2.08 0.00 0.00 38.32 37.61 2pqe h ASN 100 CO 0.16 0.00 0.01 -0.33 -2.08 0.00 0.00 177.43 175.19 2pqe h GLU 101 N -0.00 0.44 -0.77 4.14 4.39 -1.94 -1.76 114.58 119.08 2pqe h GLU 101 Ca -0.00 -0.13 0.05 0.00 0.34 0.00 0.00 59.36 59.62 2pqe h GLU 101 Cb 0.00 -0.04 -0.06 0.00 -0.10 0.00 0.00 28.75 28.55 2pqe h GLU 101 CO 0.00 0.60 0.47 0.00 -1.16 0.00 0.00 179.01 178.91 2pqe h ALA 102 N 0.83 1.04 0.20 3.43 0.00 -1.27 0.78 119.26 124.27 2pqe h ALA 102 Ca 0.07 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 2pqe h ALA 102 Cb 0.39 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.98 2pqe h ALA 102 CO 0.01 0.20 -0.10 -0.07 0.00 0.00 0.00 179.25 179.29 2pqe h LEU 103 N 0.87 -0.23 -0.44 0.00 3.38 -0.98 -1.68 115.31 116.22 2pqe h LEU 103 Ca 0.33 -0.24 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 2pqe h LEU 103 Cb 0.14 0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 2pqe h LEU 103 CO -0.16 0.14 0.14 0.58 0.09 0.00 0.00 178.44 179.24 2pqe h VAL 104 N -0.64 1.22 -0.13 1.22 2.07 -1.14 0.77 116.25 119.61 2pqe h VAL 104 Ca -0.03 -0.72 -0.00 0.00 0.82 0.00 0.00 66.70 66.77 2pqe h VAL 104 Cb 0.46 0.86 -0.01 0.00 -1.52 0.00 0.00 31.29 31.09 2pqe h VAL 104 CO 0.05 0.26 0.08 0.03 0.02 0.00 0.00 177.57 178.00 2pqe h ARG 105 N 0.57 0.18 0.00 1.57 3.08 0.55 -1.63 114.38 118.70 2pqe h ARG 105 Ca 0.14 -0.01 -0.15 0.00 0.07 0.00 0.00 59.98 60.03 2pqe h ARG 105 Cb 0.26 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.24 2pqe h ARG 105 CO -0.01 0.13 -1.23 1.96 -1.07 0.00 0.00 179.97 179.75 2pqe h GLN 106 N 0.18 0.00 0.00 0.04 1.08 -0.84 -3.46 115.11 112.11 2pqe h GLN 106 Ca 0.05 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.25 2pqe h GLN 106 Cb 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.43 2pqe h GLN 106 CO -0.01 0.33 0.00 0.41 -0.95 0.00 0.00 178.83 178.61 2pqe n GLY 107 N 1.36 0.89 0.00 3.46 0.00 0.15 -4.21 105.19 106.83 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 -4.12 0.99 4.32 0.22 -0.22 117.00 118.19 2pqe n LEU 108 Ca 0.00 0.00 -0.23 0.00 -0.02 0.00 0.00 56.01 55.76 2pqe n LEU 108 Cb 0.00 0.00 -0.15 0.00 -1.62 0.00 0.00 43.42 41.65 2pqe n LEU 108 CO 0.00 0.00 -0.48 0.00 -1.22 0.00 0.00 177.39 175.69 2pqe s ALA 109 N -1.84 1.27 0.08 -1.18 0.00 -1.16 -4.24 121.76 114.69 2pqe s ALA 109 Ca 0.00 -0.65 0.01 0.00 0.00 0.00 0.00 51.96 51.32 2pqe s ALA 109 Cb 0.00 -0.34 0.01 0.00 0.00 0.00 0.00 23.12 22.79 2pqe s ALA 109 CO 0.00 0.30 0.09 0.36 0.00 0.00 0.00 175.76 176.51 2pqe n LYS 110 N 2.76 1.13 -3.18 0.00 -0.00 -0.12 -3.59 118.16 115.15 2pqe n LYS 110 Ca -0.15 -0.44 -0.44 0.00 -0.00 0.00 0.00 58.31 57.29 2pqe n LYS 110 Cb 0.55 0.00 -0.07 0.00 -0.00 0.00 0.00 35.03 35.51 2pqe n LYS 110 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 2pqe s VAL 111 N 0.15 4.92 0.00 0.58 1.01 -1.26 -1.20 120.40 124.60 2pqe s VAL 111 Ca 0.07 -0.40 0.00 0.00 0.00 0.00 0.00 61.98 61.64 2pqe s VAL 111 Cb -0.01 -4.24 0.00 0.00 0.00 0.00 0.00 36.38 32.14 2pqe s VAL 111 CO 0.04 -0.70 0.00 0.00 0.00 0.00 0.00 175.10 174.44 2pqe n ALA 112 N 6.06 0.00 -3.40 5.51 0.00 -0.83 -4.83 120.51 123.01 2pqe n ALA 112 Ca -0.06 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.19 2pqe n ALA 112 Cb 0.46 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.81 2pqe n ALA 112 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 2pqe s TYR 113 N -0.52 -0.29 0.00 0.00 5.04 -1.26 -4.77 117.35 115.54 2pqe s TYR 113 Ca 0.00 -0.50 0.00 0.00 -2.44 0.00 0.00 57.07 54.13 2pqe s TYR 113 Cb 0.00 -0.50 0.00 0.00 0.35 0.00 0.00 41.96 41.81 2pqe s TYR 113 CO 0.00 -0.92 0.15 0.28 -1.34 0.00 0.00 175.55 173.72 2pqe n VAL 114 N 4.92 0.00 0.00 3.14 0.31 -1.26 -5.04 118.33 120.40 2pqe n VAL 114 Ca 0.02 0.42 0.00 0.00 -0.01 0.00 0.00 64.34 64.77 2pqe n VAL 114 Cb 0.45 -0.95 0.00 0.00 -0.91 0.00 0.00 33.84 32.43 2pqe n VAL 114 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2pqe n TYR 115 N -0.28 0.00 0.00 3.52 9.36 -1.26 -5.01 117.16 123.49 2pqe n TYR 115 Ca 0.00 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.22 2pqe n TYR 115 Cb 0.00 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.71 2pqe n TYR 115 CO 0.00 0.00 0.00 0.36 0.22 0.00 0.00 176.86 177.44 2pqe n LYS 116 N 0.00 0.00 0.00 2.98 -0.00 -1.26 -5.04 118.16 114.84 2pqe n LYS 116 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 58.31 58.31 2pqe n LYS 116 Cb 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 35.03 35.03 2pqe n LYS 116 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.40 178.18 2pqe h GLY 117 N 0.00 -0.01 -7.54 2.58 0.00 -1.95 -3.36 103.07 92.80 2pqe h GLY 117 Ca 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 47.33 46.88 2pqe h GLY 117 CO 0.00 -0.00 1.42 -1.31 0.00 0.00 0.00 176.54 176.65 2pqe s ASN 118 N -2.25 5.70 -0.07 0.19 0.01 -1.26 -3.78 114.94 113.47 2pqe s ASN 118 Ca -0.00 -1.80 0.15 0.00 -0.71 0.00 0.00 52.86 50.49 2pqe s ASN 118 Cb 0.00 -2.58 0.28 0.00 0.41 0.00 0.00 41.25 39.36 2pqe s ASN 118 CO 0.00 -2.35 1.14 0.59 -1.51 0.00 0.00 177.10 174.98 2pqe n ASN 119 N 12.11 0.08 0.02 -1.22 3.02 -1.26 -4.72 115.26 123.29 2pqe n ASN 119 Ca 0.45 -2.03 -0.19 0.00 -0.03 0.00 0.00 54.58 52.78 2pqe n ASN 119 Cb 0.47 0.00 -0.14 0.00 -0.61 0.00 0.00 39.78 39.50 2pqe n ASN 119 CO 0.00 0.00 0.00 0.74 -2.62 0.00 0.00 177.26 175.38 2pqe h THR 120 N 5.77 1.50 -0.42 3.41 2.02 -1.92 -3.31 112.91 119.97 2pqe h THR 120 Ca -0.37 -2.48 0.00 0.00 0.77 0.00 0.00 66.41 64.33 2pqe h THR 120 Cb 1.58 3.17 0.00 0.00 -1.74 0.00 0.00 68.15 71.16 2pqe h THR 120 CO -0.06 0.69 0.00 1.41 0.37 0.00 0.00 175.52 177.92 2pqe n HIS 121 N -4.20 0.76 0.26 3.16 8.25 -1.26 -4.25 115.22 117.93 2pqe n HIS 121 Ca -0.15 -0.33 0.17 0.00 -0.26 0.00 0.00 57.72 57.15 2pqe n HIS 121 Cb 0.76 -0.09 0.92 0.00 1.12 0.00 0.00 29.99 32.71 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 2.56 0.00 0.19 -0.41 4.57 -1.91 -2.40 114.58 117.17 2pqe h GLU 122 Ca 0.00 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.17 2pqe h GLU 122 Cb 0.79 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.38 2pqe h GLU 122 CO 0.07 0.00 -0.09 1.96 -1.18 0.00 0.00 179.01 179.77 2pqe h GLN 123 N 0.00 -0.25 -0.24 1.92 1.08 -1.85 -1.53 115.11 114.24 2pqe h GLN 123 Ca 0.00 0.02 -0.08 0.00 -1.45 0.00 0.00 58.65 57.14 2pqe h GLN 123 Cb 0.02 0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 27.49 2pqe h GLN 123 CO 0.00 0.16 -0.20 1.37 -0.95 0.00 0.00 178.83 179.20 2pqe h LEU 124 N -0.80 0.42 -0.22 1.46 -0.00 -1.81 -2.51 115.31 111.86 2pqe h LEU 124 Ca -0.03 -0.13 -0.04 0.00 -0.00 0.00 0.00 57.88 57.69 2pqe h LEU 124 Cb 0.52 -0.11 -0.01 0.00 -0.00 0.00 0.00 40.66 41.06 2pqe h LEU 124 CO 0.04 0.64 -0.03 -0.07 -0.00 0.00 0.00 178.44 179.03 2pqe h LEU 125 N 0.39 0.40 -1.27 0.17 3.38 -1.49 -2.11 115.31 114.78 2pqe h LEU 125 Ca 0.06 -0.34 -0.00 0.00 0.09 0.00 0.00 57.88 57.69 2pqe h LEU 125 Cb 0.58 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.19 2pqe h LEU 125 CO 0.04 0.64 0.40 0.03 0.09 0.00 0.00 178.44 179.65 2pqe h ARG 126 N 0.15 0.90 -0.13 1.13 3.08 -1.14 -1.38 114.38 116.99 2pqe h ARG 126 Ca 0.06 -0.07 -0.02 0.00 0.07 0.00 0.00 59.98 60.01 2pqe h ARG 126 Cb 0.45 -0.19 -0.00 0.00 0.08 0.00 0.00 29.97 30.31 2pqe h ARG 126 CO 0.02 0.63 0.01 0.87 -1.07 0.00 0.00 179.97 180.42 2pqe h LYS 127 N 0.92 0.23 -0.70 0.04 6.56 -1.31 0.24 116.57 122.55 2pqe h LYS 127 Ca 0.24 -0.07 -0.00 0.00 -1.06 0.00 0.00 60.65 59.76 2pqe h LYS 127 Cb -0.04 -0.02 -0.03 0.00 -0.57 0.00 0.00 32.23 31.56 2pqe h LYS 127 CO -0.05 0.45 0.42 0.77 -2.06 0.00 0.00 179.45 178.99 2pqe h SER 128 N -0.02 0.83 -0.05 0.86 0.02 -1.05 0.74 113.55 114.88 2pqe h SER 128 Ca 0.04 -0.04 -0.24 0.00 -0.84 0.00 0.00 61.79 60.70 2pqe h SER 128 Cb 0.35 -0.21 0.02 0.00 0.14 0.00 0.00 62.40 62.69 2pqe h SER 128 CO 0.01 0.64 -0.90 -0.08 -1.14 0.00 0.00 176.83 175.35 2pqe h GLU 129 N 0.96 0.71 -0.18 3.45 4.81 -1.11 -2.56 114.58 120.66 2pqe h GLU 129 Ca 0.25 -0.69 -0.02 0.00 -0.13 0.00 0.00 59.36 58.78 2pqe h GLU 129 Cb -0.04 0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.51 2pqe h GLU 129 CO -0.05 1.28 0.05 0.00 -0.73 0.00 0.00 179.01 179.56 2pqe h ALA 130 N 0.44 0.23 -0.67 2.92 0.00 -0.13 -0.46 119.26 121.59 2pqe h ALA 130 Ca -0.10 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 2pqe h ALA 130 Cb 1.55 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 19.24 2pqe h ALA 130 CO 0.18 -0.13 0.40 -0.56 0.00 0.00 0.00 179.25 179.14 2pqe h GLN 131 N 0.10 0.92 0.00 0.00 3.07 -0.94 -0.32 115.11 117.94 2pqe h GLN 131 Ca 0.06 -0.09 -0.06 0.00 0.09 0.00 0.00 58.65 58.64 2pqe h GLN 131 Cb 0.25 -0.19 -0.01 0.00 0.08 0.00 0.00 27.48 27.61 2pqe h GLN 131 CO -0.00 0.66 -0.30 0.00 0.09 0.00 0.00 178.83 179.28 2pqe h ALA 132 N 1.20 1.28 0.02 0.06 0.00 -1.33 -1.97 119.26 118.53 2pqe h ALA 132 Ca 0.24 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 2pqe h ALA 132 Cb -0.01 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.73 2pqe h ALA 132 CO -0.04 0.38 -0.01 -0.22 0.00 0.00 0.00 179.25 179.35 2pqe h LYS 133 N 0.00 -0.03 -0.04 0.00 3.11 -0.25 0.35 116.57 119.71 2pqe h LYS 133 Ca -0.00 0.00 -0.02 0.00 -2.81 0.00 0.00 60.65 57.81 2pqe h LYS 133 Cb 0.62 0.01 -0.00 0.00 -1.00 0.00 0.00 32.23 31.85 2pqe h LYS 133 CO 0.04 0.67 -0.09 0.87 -2.81 0.00 0.00 179.45 178.13 2pqe h LYS 134 N -0.81 0.05 0.00 1.90 1.57 -1.05 -2.44 116.57 115.79 2pqe h LYS 134 Ca -0.00 -0.01 -0.17 0.00 -1.87 0.00 0.00 60.65 58.60 2pqe h LYS 134 Cb 0.72 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.99 2pqe h LYS 134 CO 0.01 0.15 -1.48 0.39 -0.57 0.00 0.00 179.45 177.94 2pqe n GLU 135 N -4.40 0.63 -2.98 3.15 1.02 -0.75 -5.02 120.64 112.29 2pqe n GLU 135 Ca -0.02 0.19 -0.05 0.00 -0.02 0.00 0.00 57.16 57.26 2pqe n GLU 135 Cb 0.19 -1.78 0.02 0.00 -0.02 0.00 0.00 31.44 29.85 2pqe n GLU 135 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2pqe n LYS 136 N -2.85 -1.49 0.01 3.49 4.76 0.12 -4.99 118.16 117.21 2pqe n LYS 136 Ca -0.11 1.20 -0.01 0.00 -2.87 0.00 0.00 58.31 56.53 2pqe n LYS 136 Cb 0.84 -5.41 -0.00 0.00 -1.84 0.00 0.00 35.03 28.62 2pqe n LYS 136 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 2pqe h LEU 137 N -0.06 -0.03 0.00 -0.35 3.38 -1.71 -3.41 115.31 113.12 2pqe h LEU 137 Ca -0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.78 2pqe h LEU 137 Cb 1.10 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.86 2pqe h LEU 137 CO 0.32 -0.01 0.00 0.59 0.09 0.00 0.00 178.44 179.43 2pqe n ASN 138 N -2.19 0.00 -0.32 -0.43 3.02 -1.26 -4.75 115.26 109.32 2pqe n ASN 138 Ca -0.00 0.00 0.13 0.00 -0.03 0.00 0.00 54.58 54.68 2pqe n ASN 138 Cb 0.02 0.00 0.36 0.00 -0.61 0.00 0.00 39.78 39.54 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 0.75 -0.81 2.41 3.07 -0.87 0.23 117.51 122.29 2pqe h ILE 139 Ca 0.00 -0.25 -0.37 0.00 1.55 0.00 0.00 64.86 65.80 2pqe h ILE 139 Cb 0.00 -0.03 -0.22 0.00 -0.27 0.00 0.00 36.82 36.30 2pqe h ILE 139 CO 0.00 0.13 0.47 0.79 -1.05 0.00 0.00 178.15 178.49 2pqe n TRP 140 N -4.66 2.54 -1.37 0.16 5.03 -1.26 -4.34 117.44 113.54 2pqe n TRP 140 Ca 0.21 -1.48 -0.15 0.00 3.03 0.00 0.00 57.50 59.11 2pqe n TRP 140 Cb 0.56 -0.79 0.18 0.00 -1.03 0.00 0.00 31.31 30.23 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 -0.66 3.33 -0.67 -0.99 2.88 0.80 -4.29 113.62 114.01 2pqe n SER 141 Ca 0.47 -3.72 0.06 0.00 -1.33 0.00 0.00 58.87 54.35 2pqe n SER 141 Cb 1.45 -0.73 0.17 0.00 -0.75 0.00 0.00 64.21 64.35 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 -1.12 1.30 -2.25 -1.46 0.28 -1.26 -4.70 120.64 111.44 2pqe n GLU 142 Ca 0.47 -3.01 -0.03 0.00 -0.16 0.00 0.00 57.16 54.43 2pqe n GLU 142 Cb 1.29 -1.36 0.05 0.00 1.43 0.00 0.00 31.44 32.86 2pqe n GLU 142 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 2pqe n ASP 143 N -0.90 2.09 -4.61 -1.84 2.03 -1.26 -5.07 116.55 106.99 2pqe n ASP 143 Ca 0.16 -2.47 -0.44 0.00 0.52 0.00 0.00 54.79 52.57 2pqe n ASP 143 Cb 0.75 -0.42 -0.03 0.00 -0.72 0.00 0.00 41.12 40.70 2pqe n ASP 143 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 2pqe n ASN 144 N -0.43 3.38 -1.93 1.67 2.85 -1.26 -4.95 115.26 114.59 2pqe n ASN 144 Ca 0.15 0.40 0.00 0.00 -0.11 0.00 0.00 54.58 55.02 2pqe n ASN 144 Cb 0.90 -1.52 0.00 0.00 1.24 0.00 0.00 39.78 40.40 2pqe n ASN 144 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2pqe n ALA 145 N 10.43 0.00 -2.51 5.20 0.00 -1.26 -5.10 120.51 127.27 2pqe n ALA 145 Ca 0.28 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.31 2pqe n ALA 145 Cb 0.42 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.83 2pqe n ALA 145 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 2pqe s ASP 146 N -0.94 7.29 0.49 0.00 -4.77 -1.26 -5.02 116.67 112.46 2pqe s ASP 146 Ca 0.00 1.83 -0.22 0.00 -3.30 0.00 0.00 52.55 50.86 2pqe s ASP 146 Cb 0.00 -2.58 -0.07 0.00 -1.09 0.00 0.00 42.92 39.18 2pqe s ASP 146 CO 0.00 -0.30 1.15 -0.94 0.70 0.00 0.00 175.17 175.79 2pqe s SER 147 N 0.80 6.00 0.95 2.11 1.04 -1.26 -4.82 113.70 118.52 2pqe s SER 147 Ca 0.53 2.26 0.00 0.00 0.48 0.00 0.00 55.95 59.22 2pqe s SER 147 Cb -0.25 -2.60 0.00 0.00 0.10 0.00 0.00 66.02 63.28 2pqe s SER 147 CO 0.29 -1.03 0.00 0.61 0.98 0.00 0.00 173.24 174.09 2pqe n GLY 148 N 0.35 -0.11 3.98 7.32 0.00 -1.26 -5.35 105.19 110.12 2pqe n GLY 148 Ca 0.09 -0.94 0.00 0.00 0.00 0.00 0.00 46.02 45.17 2pqe n GLY 148 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14