#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 0.09 0.00 0.00 -4.23 -1.26 -5.07 115.64 105.18 2pqe s THR 2 Ca 0.00 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.51 2pqe s THR 2 Cb 0.00 -2.50 0.00 0.00 1.34 0.00 0.00 72.50 71.34 2pqe s THR 2 CO 0.00 0.00 0.00 -1.20 -0.54 0.00 0.00 174.62 172.88 2pqe n SER 3 N -1.05 0.00 -5.00 3.99 7.64 -1.26 -5.15 113.62 112.80 2pqe n SER 3 Ca 0.04 0.00 -0.18 0.00 1.01 0.00 0.00 58.87 59.74 2pqe n SER 3 Cb 0.64 0.25 0.02 0.00 -1.01 0.00 0.00 64.21 64.12 2pqe n SER 3 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2pqe s THR 4 N -1.62 2.86 -0.32 0.44 2.01 -1.26 -4.84 115.64 112.92 2pqe s THR 4 Ca 0.00 -0.89 -0.03 0.00 0.31 0.00 0.00 61.69 61.09 2pqe s THR 4 Cb 0.00 -2.97 0.00 0.00 0.01 0.00 0.00 72.50 69.54 2pqe s THR 4 CO 0.00 0.00 0.09 0.29 -0.69 0.00 0.00 174.62 174.31 2pqe n LYS 5 N -2.03 -3.21 0.00 4.92 5.02 -1.26 -5.01 118.16 116.60 2pqe n LYS 5 Ca 0.08 2.61 0.00 0.00 -2.02 0.00 0.00 58.31 58.98 2pqe n LYS 5 Cb 0.59 -5.27 0.00 0.00 -0.02 0.00 0.00 35.03 30.33 2pqe n LYS 5 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 2pqe n LYS 6 N 0.52 0.00 -3.37 1.97 3.00 -1.26 -5.04 118.16 113.97 2pqe n LYS 6 Ca 0.02 0.00 -0.26 0.00 -0.00 0.00 0.00 58.31 58.07 2pqe n LYS 6 Cb 0.07 -0.07 -0.10 0.00 0.00 0.00 0.00 35.03 34.93 2pqe n LYS 6 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.40 176.92 2pqe s LEU 7 N -4.53 1.05 -0.10 3.14 0.05 -1.26 -5.12 118.68 111.91 2pqe s LEU 7 Ca 0.00 -2.69 -0.09 0.00 0.05 0.00 0.00 54.13 51.40 2pqe s LEU 7 Cb 0.00 -0.24 -0.04 0.00 -2.05 0.00 0.00 46.19 43.85 2pqe s LEU 7 CO 0.00 -0.20 0.20 -2.28 -0.55 0.00 0.00 176.35 173.52 2pqe s HIS 8 N 0.44 3.62 0.18 3.48 2.46 -1.26 -5.10 115.29 119.10 2pqe s HIS 8 Ca 0.28 0.63 0.08 0.00 0.47 0.00 0.00 55.06 56.52 2pqe s HIS 8 Cb -0.04 -2.04 -0.04 0.00 -0.13 0.00 0.00 32.58 30.33 2pqe s HIS 8 CO -0.13 0.69 -0.03 -1.59 -2.47 0.00 0.00 174.74 171.21 2pqe s LYS 9 N -0.94 2.29 0.00 2.88 0.00 -1.26 -4.56 119.74 118.14 2pqe s LYS 9 Ca 0.17 -1.17 0.00 0.00 0.00 0.00 0.00 55.97 54.96 2pqe s LYS 9 Cb -0.13 -2.28 0.00 0.00 0.00 0.00 0.00 37.83 35.42 2pqe s LYS 9 CO 0.06 0.44 0.00 -1.91 0.00 0.00 0.00 175.35 173.94 2pqe n GLU 10 N -0.11 1.00 0.00 1.78 4.07 0.31 -4.84 120.64 122.86 2pqe n GLU 10 Ca -0.10 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.00 2pqe n GLU 10 Cb 0.55 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.93 2pqe n GLU 10 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2pqe n ALA 11 N -3.00 0.00 0.00 4.31 0.00 -1.26 -1.88 120.51 118.68 2pqe n ALA 11 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2pqe n ALA 11 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 6.27 0.00 -2.31 0.00 0.00 -0.38 -4.33 120.51 119.77 2pqe n ALA 12 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.36 2pqe n ALA 12 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.35 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 0.19 -0.09 0.00 2.01 -1.07 -2.78 115.64 113.90 2pqe s THR 13 Ca 0.00 -1.56 -0.09 0.00 0.31 0.00 0.00 61.69 60.35 2pqe s THR 13 Cb 0.00 -1.30 -0.04 0.00 0.01 0.00 0.00 72.50 71.17 2pqe s THR 13 CO 0.00 -0.86 0.21 -0.22 -0.69 0.00 0.00 174.62 173.06 2pqe s LEU 14 N -2.68 4.41 -0.16 4.42 1.98 -1.26 0.19 118.68 125.58 2pqe s LEU 14 Ca 0.03 0.59 -0.11 0.00 -2.89 0.00 0.00 54.13 51.75 2pqe s LEU 14 Cb 0.05 -2.20 -0.07 0.00 0.66 0.00 0.00 46.19 44.63 2pqe s LEU 14 CO -0.09 0.39 -0.25 -0.38 -1.89 0.00 0.00 176.35 174.13 2pqe n ILE 15 N 1.96 1.20 -3.62 6.68 -0.00 0.11 -4.82 119.36 120.86 2pqe n ILE 15 Ca -0.18 -0.10 0.01 0.00 -0.00 0.00 0.00 62.75 62.48 2pqe n ILE 15 Cb 0.54 -1.90 -0.06 0.00 -0.00 0.00 0.00 39.64 38.23 2pqe n ILE 15 CO 0.00 0.00 0.00 -0.75 -0.00 0.00 0.00 176.55 175.80 2pqe s LYS 16 N -2.46 0.14 0.55 0.38 2.36 -1.02 -5.01 119.74 114.68 2pqe s LYS 16 Ca -0.25 0.25 -0.17 0.00 -2.55 0.00 0.00 55.97 53.24 2pqe s LYS 16 Cb 0.08 0.04 -0.06 0.00 -1.05 0.00 0.00 37.83 36.84 2pqe s LYS 16 CO 0.33 -0.03 1.05 0.00 1.55 0.00 0.00 175.35 178.25 2pqe s ALA 17 N 1.19 2.81 -0.13 3.13 0.00 -1.26 -0.38 121.76 127.12 2pqe s ALA 17 Ca -0.08 0.45 -0.07 0.00 0.00 0.00 0.00 51.96 52.26 2pqe s ALA 17 Cb -0.03 -3.23 -0.06 0.00 0.00 0.00 0.00 23.12 19.80 2pqe s ALA 17 CO -0.12 -0.60 -0.18 -0.89 0.00 0.00 0.00 175.76 173.97 2pqe n ILE 18 N -1.63 0.84 -2.79 0.00 5.41 0.47 -4.83 119.36 116.82 2pqe n ILE 18 Ca 0.09 -0.15 -0.06 0.00 1.00 0.00 0.00 62.75 63.63 2pqe n ILE 18 Cb 0.53 -1.72 0.01 0.00 -0.71 0.00 0.00 39.64 37.75 2pqe n ILE 18 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 2pqe n ASP 19 N -3.67 -3.20 0.00 4.38 9.92 0.60 -4.96 116.55 119.61 2pqe n ASP 19 Ca -0.26 -2.96 0.00 0.00 -0.53 0.00 0.00 54.79 51.04 2pqe n ASP 19 Cb 0.66 1.65 0.00 0.00 -0.64 0.00 0.00 41.12 42.79 2pqe n ASP 19 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2pqe n GLY 20 N 2.69 0.24 0.18 0.44 0.00 -1.25 -2.01 105.19 105.48 2pqe n GLY 20 Ca 0.17 0.70 0.08 0.00 0.00 0.00 0.00 46.02 46.97 2pqe n GLY 20 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2pqe h ASP 21 N 0.00 0.00 -3.68 1.61 3.32 -1.90 -3.43 116.42 112.34 2pqe h ASP 21 Ca 0.00 0.00 -0.67 0.00 0.02 0.00 0.00 57.03 56.38 2pqe h ASP 21 Cb 0.00 0.00 -0.18 0.00 0.22 0.00 0.00 39.33 39.37 2pqe h ASP 21 CO 0.00 0.20 -0.37 -0.89 -1.72 0.00 0.00 179.24 176.46 2pqe s THR 22 N -3.11 5.22 -0.03 0.35 2.01 -0.85 -0.93 115.64 118.30 2pqe s THR 22 Ca 0.06 -0.10 -0.10 0.00 0.31 0.00 0.00 61.69 61.86 2pqe s THR 22 Cb 0.06 -3.79 0.02 0.00 0.01 0.00 0.00 72.50 68.80 2pqe s THR 22 CO 0.70 -0.07 0.22 0.68 -0.69 0.00 0.00 174.62 175.46 2pqe s VAL 23 N 1.88 0.05 -0.51 3.82 -7.23 -0.38 0.18 120.40 118.20 2pqe s VAL 23 Ca 0.09 -0.40 -0.23 0.00 -1.81 0.00 0.00 61.98 59.63 2pqe s VAL 23 Cb -0.17 -0.46 0.04 0.00 0.56 0.00 0.00 36.38 36.35 2pqe s VAL 23 CO 0.11 -0.22 0.83 -0.54 -0.31 0.00 0.00 175.10 174.97 2pqe s LYS 24 N -0.87 3.31 -0.09 4.82 -0.14 0.49 0.11 119.74 127.37 2pqe s LYS 24 Ca -0.10 -0.36 0.01 0.00 -1.36 0.00 0.00 55.97 54.17 2pqe s LYS 24 Cb -0.05 -4.03 -0.02 0.00 -1.68 0.00 0.00 37.83 32.04 2pqe s LYS 24 CO 0.02 -1.33 -0.11 -1.17 -0.76 0.00 0.00 175.35 172.00 2pqe s LEU 25 N 3.49 2.91 -0.68 3.17 0.20 0.30 0.06 118.68 128.13 2pqe s LEU 25 Ca 0.27 -0.17 -0.27 0.00 0.69 0.00 0.00 54.13 54.65 2pqe s LEU 25 Cb -0.14 -1.63 0.01 0.00 -0.43 0.00 0.00 46.19 44.00 2pqe s LEU 25 CO 0.19 0.29 1.54 -0.32 -0.29 0.00 0.00 176.35 177.75 2pqe s MET 26 N -0.36 2.94 -0.16 1.98 -2.45 0.51 -1.40 119.30 120.36 2pqe s MET 26 Ca 0.04 0.14 -0.10 0.00 -1.25 0.00 0.00 55.69 54.52 2pqe s MET 26 Cb -0.12 -4.27 -0.05 0.00 1.25 0.00 0.00 34.83 31.64 2pqe s MET 26 CO 0.02 -2.41 0.17 -0.47 1.05 0.00 0.00 175.02 173.38 2pqe s TYR 27 N 7.23 3.50 -0.19 4.11 5.04 0.43 -2.59 117.35 134.88 2pqe s TYR 27 Ca 0.49 0.47 -0.00 0.00 -2.44 0.00 0.00 57.07 55.59 2pqe s TYR 27 Cb -0.10 -2.12 0.00 0.00 0.35 0.00 0.00 41.96 40.09 2pqe s TYR 27 CO 0.17 0.45 0.01 0.36 -1.34 0.00 0.00 175.55 175.21 2pqe n LYS 28 N 2.91 -2.86 -0.33 4.97 0.00 -1.26 0.10 118.16 121.69 2pqe n LYS 28 Ca -0.17 0.10 0.00 0.00 -0.00 0.00 0.00 58.31 58.24 2pqe n LYS 28 Cb 0.53 -4.61 0.00 0.00 -0.00 0.00 0.00 35.03 30.95 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 -0.56 0.80 2.84 2.58 0.00 -1.26 -5.08 105.19 104.51 2pqe n GLY 29 Ca -0.02 -0.34 -0.14 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.67 0.00 -0.77 1.61 -2.07 0.29 -5.10 119.66 112.95 2pqe s GLN 30 Ca 0.00 0.14 -0.27 0.00 -1.82 0.00 0.00 55.36 53.41 2pqe s GLN 30 Cb 0.00 -0.13 0.03 0.00 -1.09 0.00 0.00 33.01 31.82 2pqe s GLN 30 CO 0.00 -0.10 1.32 0.00 -1.32 0.00 0.00 175.29 175.19 2pqe s ALA 31 N 0.63 2.73 0.16 2.60 0.00 -1.26 0.16 121.76 126.77 2pqe s ALA 31 Ca -0.05 -1.46 0.08 0.00 0.00 0.00 0.00 51.96 50.54 2pqe s ALA 31 Cb -0.07 -4.29 -0.04 0.00 0.00 0.00 0.00 23.12 18.71 2pqe s ALA 31 CO -0.02 -3.35 -0.09 0.00 0.00 0.00 0.00 175.76 172.30 2pqe s MET 32 N 5.69 2.11 -0.40 0.00 0.00 -0.49 -4.89 119.30 121.32 2pqe s MET 32 Ca 0.37 -1.18 -0.29 0.00 0.00 0.00 0.00 55.69 54.60 2pqe s MET 32 Cb -0.07 -2.22 0.02 0.00 0.00 0.00 0.00 34.83 32.56 2pqe s MET 32 CO 0.12 0.46 1.11 0.99 0.00 0.00 0.00 175.02 177.70 2pqe s THR 33 N -1.55 4.36 0.18 3.16 2.01 -1.26 -0.54 115.64 122.00 2pqe s THR 33 Ca 0.24 1.48 -0.03 0.00 0.31 0.00 0.00 61.69 63.69 2pqe s THR 33 Cb -0.10 -4.51 -0.05 0.00 0.01 0.00 0.00 72.50 67.85 2pqe s THR 33 CO 0.15 -0.75 0.39 -0.36 -0.69 0.00 0.00 174.62 173.37 2pqe s PHE 34 N 4.05 3.48 -0.08 4.92 0.40 0.30 0.18 117.98 131.23 2pqe s PHE 34 Ca 0.47 0.47 -0.01 0.00 -0.60 0.00 0.00 56.93 57.26 2pqe s PHE 34 Cb -0.10 -1.94 0.03 0.00 0.51 0.00 0.00 43.02 41.52 2pqe s PHE 34 CO 0.24 0.39 -0.03 1.03 0.70 0.00 0.00 175.22 177.55 2pqe s ARG 35 N -3.00 0.91 -0.15 0.44 1.81 -0.31 -1.25 118.95 117.40 2pqe s ARG 35 Ca 0.40 -0.02 -0.32 0.00 -1.72 0.00 0.00 55.73 54.07 2pqe s ARG 35 Cb -0.12 -1.14 -0.09 0.00 -0.45 0.00 0.00 34.95 33.15 2pqe s ARG 35 CO 0.27 -0.27 2.06 -0.11 -0.68 0.00 0.00 175.30 176.57 2pqe n LEU 36 N 4.98 3.30 -4.75 2.53 0.00 -0.10 -0.61 117.00 122.34 2pqe n LEU 36 Ca -0.10 0.62 -0.40 0.00 0.00 0.00 0.00 56.01 56.13 2pqe n LEU 36 Cb 0.50 -1.44 -0.05 0.00 0.00 0.00 0.00 43.42 42.43 2pqe n LEU 36 CO 0.13 -0.32 0.71 -0.22 0.00 0.00 0.00 177.39 177.69 2pqe s LEU 37 N 6.06 4.60 -1.67 -1.96 0.20 -0.69 -3.48 118.68 121.74 2pqe s LEU 37 Ca 0.98 2.08 0.00 0.00 0.69 0.00 0.00 54.13 57.88 2pqe s LEU 37 Cb -0.56 -3.63 0.00 0.00 -0.43 0.00 0.00 46.19 41.57 2pqe s LEU 37 CO 0.44 0.03 0.00 0.18 -0.29 0.00 0.00 176.35 176.71 2pqe n LEU 38 N 1.33 -1.66 -3.96 -0.68 4.77 -1.26 -4.74 117.00 110.80 2pqe n LEU 38 Ca -0.02 0.12 -0.09 0.00 -0.03 0.00 0.00 56.01 55.99 2pqe n LEU 38 Cb 0.46 -2.72 -0.11 0.00 -2.33 0.00 0.00 43.42 38.73 2pqe n LEU 38 CO 0.51 -0.35 -0.32 -0.69 -1.33 0.00 0.00 177.39 175.21 2pqe s VAL 39 N -2.86 0.11 -0.23 4.08 1.01 -1.23 -2.37 120.40 118.91 2pqe s VAL 39 Ca 0.00 -0.91 -0.00 0.00 0.00 0.00 0.00 61.98 61.06 2pqe s VAL 39 Cb 0.00 -0.36 0.06 0.00 0.00 0.00 0.00 36.38 36.09 2pqe s VAL 39 CO 0.00 -0.50 -0.01 -0.62 0.00 0.00 0.00 175.10 173.97 2pqe s ASP 40 N -1.52 3.59 -0.63 3.32 2.15 -0.96 -4.50 116.67 118.12 2pqe s ASP 40 Ca -0.15 -1.13 0.03 0.00 0.43 0.00 0.00 52.55 51.73 2pqe s ASP 40 Cb -0.09 -0.98 0.16 0.00 -0.30 0.00 0.00 42.92 41.71 2pqe s ASP 40 CO -0.01 -0.28 0.41 -0.89 -0.17 0.00 0.00 175.17 174.23 2pqe s THR 41 N 1.55 3.00 -0.36 1.71 2.01 -1.26 0.65 115.64 122.93 2pqe s THR 41 Ca -0.02 -3.66 -0.01 0.00 0.31 0.00 0.00 61.69 58.31 2pqe s THR 41 Cb -0.18 -3.00 -0.01 0.00 0.01 0.00 0.00 72.50 69.32 2pqe s THR 41 CO -0.08 -0.91 0.33 0.00 -0.69 0.00 0.00 174.62 173.27 2pqe n ALA 42 N 2.69 -1.65 -1.23 7.40 0.00 -1.26 -3.54 120.51 122.92 2pqe n ALA 42 Ca 0.12 0.03 -0.31 0.00 0.00 0.00 0.00 53.44 53.28 2pqe n ALA 42 Cb 0.34 -1.55 0.09 0.00 0.00 0.00 0.00 19.45 18.34 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 -1.72 2.50 -2.42 0.00 4.07 -1.26 -4.88 120.64 116.94 2pqe n GLU 43 Ca -0.01 -3.00 -0.38 0.00 -0.06 0.00 0.00 57.16 53.70 2pqe n GLU 43 Cb 0.52 -2.18 -0.03 0.00 -0.06 0.00 0.00 31.44 29.69 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 -4.23 3.73 -0.36 6.31 -4.23 -1.26 -4.80 115.64 110.80 2pqe s THR 44 Ca 0.59 -0.28 0.09 0.00 -1.18 0.00 0.00 61.69 60.91 2pqe s THR 44 Cb 0.47 -4.73 0.66 0.00 1.34 0.00 0.00 72.50 70.24 2pqe s THR 44 CO 0.01 -1.64 1.66 2.29 -0.54 0.00 0.00 174.62 176.40 2pqe n LYS 45 N 9.05 3.52 -0.01 3.99 -0.00 -1.26 -4.06 118.16 129.39 2pqe n LYS 45 Ca 0.25 -2.67 -0.00 0.00 -0.00 0.00 0.00 58.31 55.88 2pqe n LYS 45 Cb 0.50 -2.11 -0.03 0.00 -0.00 0.00 0.00 35.03 33.38 2pqe n LYS 45 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 2pqe n HIS 46 N -0.01 0.00 -2.46 5.58 8.25 -1.26 -5.06 115.22 120.26 2pqe n HIS 46 Ca 0.34 0.00 -0.06 0.00 -0.26 0.00 0.00 57.72 57.74 2pqe n HIS 46 Cb 1.24 -0.16 0.03 0.00 1.12 0.00 0.00 29.99 32.21 2pqe n HIS 46 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 2pqe n THR 47 N -1.94 -5.80 0.02 1.59 -1.04 -1.26 -4.98 114.28 100.87 2pqe n THR 47 Ca -0.04 -0.61 -0.18 0.00 -2.04 0.00 0.00 64.05 61.17 2pqe n THR 47 Cb 0.41 -5.12 -0.13 0.00 -1.82 0.00 0.00 70.33 63.66 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 -0.39 0.28 0.00 -2.82 3.64 -1.97 -3.47 116.57 111.84 2pqe h LYS 48 Ca -0.26 -0.42 0.00 0.00 -1.27 0.00 0.00 60.65 58.70 2pqe h LYS 48 Cb 1.13 0.15 0.00 0.00 -0.41 0.00 0.00 32.23 33.10 2pqe h LYS 48 CO 0.23 1.16 0.00 0.36 -2.27 0.00 0.00 179.45 178.93 2pqe n LYS 49 N -4.22 0.00 0.00 1.90 -0.00 -1.26 -5.01 118.16 109.57 2pqe n LYS 49 Ca -0.12 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.19 2pqe n LYS 49 Cb 0.73 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.76 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 -0.38 1.72 1.30 2.58 0.00 -1.26 -5.01 105.19 104.14 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 0.00 0.03 0.19 1.61 0.31 -1.26 -3.29 118.33 115.92 2pqe n VAL 51 Ca 0.00 -0.48 0.07 0.00 -0.01 0.00 0.00 64.34 63.91 2pqe n VAL 51 Cb 0.00 0.72 0.28 0.00 -0.91 0.00 0.00 33.84 33.93 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 0.47 0.00 -0.07 5.55 4.11 -1.97 -3.37 114.58 119.30 2pqe h GLU 52 Ca -0.43 0.00 -0.19 0.00 0.07 0.00 0.00 59.36 58.81 2pqe h GLU 52 Cb 1.58 0.00 -0.18 0.00 0.50 0.00 0.00 28.75 30.65 2pqe h GLU 52 CO -0.13 0.34 -0.39 1.17 0.07 0.00 0.00 179.01 180.07 2pqe n LYS 53 N -3.35 1.35 -1.68 1.06 3.00 -1.26 -4.96 118.16 112.32 2pqe n LYS 53 Ca 0.01 -1.61 -0.20 0.00 -0.00 0.00 0.00 58.31 56.50 2pqe n LYS 53 Cb 0.55 0.10 -0.08 0.00 0.00 0.00 0.00 35.03 35.60 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 -1.19 -0.15 -0.14 5.64 4.02 -1.26 -4.74 117.16 119.34 2pqe n TYR 54 Ca -0.11 0.00 0.08 0.00 -0.01 0.00 0.00 57.90 57.86 2pqe n TYR 54 Cb 0.86 -3.46 0.40 0.00 -0.02 0.00 0.00 39.34 37.13 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 0.00 0.82 0.98 2.72 0.00 -1.88 -0.75 103.07 104.96 2pqe h GLY 55 Ca -0.42 -0.26 -0.05 0.00 0.00 0.00 0.00 47.33 46.60 2pqe h GLY 55 CO 0.60 0.18 -0.49 0.00 0.00 0.00 0.00 176.54 176.83 2pqe h ALA 56 N 1.65 -1.35 0.00 3.60 0.00 -1.87 -2.62 119.26 118.66 2pqe h ALA 56 Ca 0.29 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2pqe h ALA 56 Cb 0.32 0.55 -0.00 0.00 0.00 0.00 0.00 17.79 18.66 2pqe h ALA 56 CO -0.09 -1.26 -0.07 1.49 0.00 0.00 0.00 179.25 179.31 2pqe h GLU 57 N -1.34 0.00 -0.52 0.00 4.57 -1.82 -2.61 114.58 112.86 2pqe h GLU 57 Ca -0.13 0.00 0.03 0.00 -1.18 0.00 0.00 59.36 58.08 2pqe h GLU 57 Cb 1.04 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 29.59 2pqe h GLU 57 CO 0.21 0.07 0.30 0.00 -1.18 0.00 0.00 179.01 178.40 2pqe h ALA 58 N 1.93 0.67 -0.18 2.92 0.00 -0.76 0.14 119.26 123.97 2pqe h ALA 58 Ca -0.00 -0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.76 2pqe h ALA 58 Cb 0.20 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 2pqe h ALA 58 CO 0.01 -0.01 -0.51 0.66 0.00 0.00 0.00 179.25 179.40 2pqe h SER 59 N 0.58 0.54 -0.16 0.00 4.64 -1.28 -2.69 113.55 115.18 2pqe h SER 59 Ca 0.22 -0.27 -0.03 0.00 -0.47 0.00 0.00 61.79 61.23 2pqe h SER 59 Cb 0.06 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 61.99 2pqe h SER 59 CO -0.12 0.95 -0.01 0.00 -0.87 0.00 0.00 176.83 176.78 2pqe h ALA 60 N 1.06 0.22 -0.53 5.18 0.00 -1.32 0.55 119.26 124.43 2pqe h ALA 60 Ca 0.02 -0.21 0.02 0.00 0.00 0.00 0.00 54.91 54.73 2pqe h ALA 60 Cb 1.02 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.72 2pqe h ALA 60 CO 0.09 -0.06 0.32 0.35 0.00 0.00 0.00 179.25 179.96 2pqe h PHE 61 N 0.02 0.61 -0.07 0.00 3.04 -0.75 0.46 116.94 120.25 2pqe h PHE 61 Ca 0.04 0.02 -0.21 0.00 3.98 0.00 0.00 57.97 61.80 2pqe h PHE 61 Cb 0.41 -0.20 0.00 0.00 2.56 0.00 0.00 35.95 38.72 2pqe h PHE 61 CO 0.04 0.35 -0.81 1.15 -2.02 0.00 0.00 178.31 177.03 2pqe h THR 62 N 0.65 1.36 0.00 4.41 2.02 -1.44 -1.63 112.91 118.28 2pqe h THR 62 Ca 0.21 -2.19 -0.00 0.00 0.77 0.00 0.00 66.41 65.20 2pqe h THR 62 Cb 0.00 2.17 0.00 0.00 -1.74 0.00 0.00 68.15 68.58 2pqe h THR 62 CO -0.08 0.66 -0.00 0.50 0.37 0.00 0.00 175.52 176.97 2pqe h LYS 63 N 0.33 -0.01 -0.35 6.66 3.64 0.54 0.20 116.57 127.58 2pqe h LYS 63 Ca -0.05 0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 59.21 2pqe h LYS 63 Cb 1.42 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.22 2pqe h LYS 63 CO 0.15 0.27 -0.25 1.57 -2.27 0.00 0.00 179.45 178.91 2pqe h LYS 64 N -0.28 0.70 -0.09 1.90 5.09 -0.16 0.84 116.57 124.57 2pqe h LYS 64 Ca -0.00 -0.29 -0.15 0.00 0.09 0.00 0.00 60.65 60.30 2pqe h LYS 64 Cb 0.28 -0.03 -0.01 0.00 0.10 0.00 0.00 32.23 32.57 2pqe h LYS 64 CO 0.00 0.89 -0.61 1.98 -2.09 0.00 0.00 179.45 179.62 2pqe h MET 65 N 0.61 0.31 0.00 0.07 4.05 -1.25 0.37 114.93 119.10 2pqe h MET 65 Ca 0.08 -0.22 -0.06 0.00 -0.28 0.00 0.00 59.70 59.23 2pqe h MET 65 Cb 0.75 0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 31.57 2pqe h MET 65 CO 0.06 0.83 -1.02 -0.24 0.23 0.00 0.00 176.91 176.77 2pqe h VAL 66 N 0.23 0.21 0.04 -5.77 3.04 -0.42 -2.27 116.25 111.31 2pqe h VAL 66 Ca -0.01 -1.39 -0.27 0.00 -1.01 0.00 0.00 66.70 64.02 2pqe h VAL 66 Cb 1.13 1.77 -0.03 0.00 -2.01 0.00 0.00 31.29 32.14 2pqe h VAL 66 CO 0.10 0.12 -1.46 -0.33 -1.01 0.00 0.00 177.57 174.99 2pqe h GLU 67 N 0.00 0.08 0.15 4.17 4.39 0.77 -3.36 114.58 120.78 2pqe h GLU 67 Ca -0.05 -0.13 -0.33 0.00 0.34 0.00 0.00 59.36 59.19 2pqe h GLU 67 Cb 1.21 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.91 2pqe h GLU 67 CO 0.02 0.83 -1.65 -0.97 -1.16 0.00 0.00 179.01 176.08 2pqe h ASN 68 N 0.02 0.50 -0.41 1.42 -1.24 -1.04 -3.42 115.58 111.41 2pqe h ASN 68 Ca -0.20 -0.73 -0.17 0.00 0.71 0.00 0.00 56.30 55.91 2pqe h ASN 68 Cb 1.94 -0.16 -0.02 0.00 0.73 0.00 0.00 38.32 40.81 2pqe h ASN 68 CO 0.12 1.61 0.51 0.00 -1.29 0.00 0.00 177.43 178.38 2pqe s ALA 69 N -2.60 1.18 0.56 1.57 0.00 -0.85 -4.74 121.76 116.88 2pqe s ALA 69 Ca -0.12 -1.55 0.40 0.00 0.00 0.00 0.00 51.96 50.68 2pqe s ALA 69 Cb 0.06 -4.64 1.56 0.00 0.00 0.00 0.00 23.12 20.10 2pqe s ALA 69 CO 0.85 -5.74 1.69 0.87 0.00 0.00 0.00 175.76 173.43 2pqe h LYS 70 N 11.18 0.00 -4.96 0.00 1.79 -1.85 -3.33 116.57 119.40 2pqe h LYS 70 Ca 0.09 0.00 -0.66 0.00 -2.18 0.00 0.00 60.65 57.91 2pqe h LYS 70 Cb 0.98 0.00 -0.35 0.00 -1.58 0.00 0.00 32.23 31.28 2pqe h LYS 70 CO 1.12 0.00 -0.85 0.21 -1.08 0.00 0.00 179.45 178.85 2pqe s LYS 71 N -4.85 2.77 -0.08 3.15 2.36 -1.26 -4.63 119.74 117.21 2pqe s LYS 71 Ca -0.05 -0.82 0.04 0.00 -2.55 0.00 0.00 55.97 52.60 2pqe s LYS 71 Cb 0.23 -2.50 -0.00 0.00 -1.05 0.00 0.00 37.83 34.51 2pqe s LYS 71 CO 0.79 -0.25 -0.21 0.42 1.55 0.00 0.00 175.35 177.65 2pqe s ILE 72 N 1.32 1.80 0.28 5.43 1.09 -1.12 0.73 121.20 130.73 2pqe s ILE 72 Ca 0.04 -0.89 0.11 0.00 -1.10 0.00 0.00 60.65 58.81 2pqe s ILE 72 Cb -0.14 -1.55 -0.05 0.00 -1.06 0.00 0.00 42.46 39.66 2pqe s ILE 72 CO -0.12 0.50 -0.09 -1.61 -0.10 0.00 0.00 174.94 173.52 2pqe s GLU 73 N 0.24 1.99 -0.01 2.79 2.02 0.28 -1.24 118.70 124.77 2pqe s GLU 73 Ca -0.12 -1.62 -0.01 0.00 0.02 0.00 0.00 54.97 53.23 2pqe s GLU 73 Cb -0.16 -1.95 -0.00 0.00 0.10 0.00 0.00 34.13 32.12 2pqe s GLU 73 CO 0.06 0.32 0.03 0.14 0.02 0.00 0.00 175.26 175.83 2pqe s VAL 74 N -2.43 0.03 -0.21 2.63 -7.23 -0.79 0.12 120.40 112.51 2pqe s VAL 74 Ca 0.31 -0.24 0.02 0.00 -1.81 0.00 0.00 61.98 60.26 2pqe s VAL 74 Cb -0.05 -0.13 0.04 0.00 0.56 0.00 0.00 36.38 36.80 2pqe s VAL 74 CO 0.18 -0.13 -0.16 -0.70 -0.31 0.00 0.00 175.10 173.97 2pqe s GLU 75 N -0.39 2.65 -0.03 4.82 2.12 -0.84 0.12 118.70 127.15 2pqe s GLU 75 Ca -0.04 -1.02 -0.22 0.00 0.36 0.00 0.00 54.97 54.05 2pqe s GLU 75 Cb -0.03 -2.67 -0.05 0.00 0.26 0.00 0.00 34.13 31.64 2pqe s GLU 75 CO -0.00 -0.36 0.64 -0.06 -0.54 0.00 0.00 175.26 174.94 2pqe s PHE 76 N 1.23 3.63 0.98 5.30 0.08 -1.26 -2.39 117.98 125.54 2pqe s PHE 76 Ca -0.01 1.21 -0.16 0.00 0.12 0.00 0.00 56.93 58.10 2pqe s PHE 76 Cb -0.16 -2.69 0.22 0.00 -0.57 0.00 0.00 43.02 39.82 2pqe s PHE 76 CO -0.10 0.23 1.33 -0.51 -0.10 0.00 0.00 175.22 176.07 2pqe s ASP 77 N 0.26 2.92 0.35 1.36 1.01 -1.26 -4.98 116.67 116.32 2pqe s ASP 77 Ca 0.34 0.10 0.19 0.00 0.71 0.00 0.00 52.55 53.89 2pqe s ASP 77 Cb -0.18 -0.07 0.19 0.00 1.01 0.00 0.00 42.92 43.86 2pqe s ASP 77 CO 0.17 -2.84 1.49 0.11 0.21 0.00 0.00 175.17 174.31 2pqe h LYS 78 N -1.68 0.00 0.00 8.23 6.56 -1.96 -3.42 116.57 124.30 2pqe h LYS 78 Ca -0.43 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.16 2pqe h LYS 78 Cb 1.22 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.88 2pqe h LYS 78 CO 0.32 0.24 0.00 0.41 -2.06 0.00 0.00 179.45 178.36 2pqe n GLY 79 N 1.17 -1.99 3.51 3.86 0.00 -0.49 -4.91 105.19 106.34 2pqe n GLY 79 Ca 0.03 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.78 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 1.82 -0.10 1.61 0.74 -1.26 -4.94 119.66 117.53 2pqe s GLN 80 Ca 0.00 -1.39 0.14 0.00 0.05 0.00 0.00 55.36 54.15 2pqe s GLN 80 Cb 0.00 -2.02 -0.20 0.00 1.10 0.00 0.00 33.01 31.90 2pqe s GLN 80 CO 0.00 0.42 0.14 -2.13 -0.55 0.00 0.00 175.29 173.17 2pqe n ARG 81 N 0.11 1.28 -3.57 1.67 0.63 -1.26 -4.67 116.66 110.85 2pqe n ARG 81 Ca -0.11 -0.05 -0.20 0.00 -0.92 0.00 0.00 57.85 56.57 2pqe n ARG 81 Cb 0.56 -1.37 -0.15 0.00 0.45 0.00 0.00 32.46 31.95 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 -2.58 -0.25 -1.21 5.15 -4.23 -1.26 0.12 115.64 111.38 2pqe s THR 82 Ca -0.07 -0.00 -0.08 0.00 -1.18 0.00 0.00 61.69 60.36 2pqe s THR 82 Cb 0.06 -0.55 -0.07 0.00 1.34 0.00 0.00 72.50 73.28 2pqe s THR 82 CO 0.61 -0.13 2.45 -0.67 -0.54 0.00 0.00 174.62 176.34 2pqe n ASP 83 N 5.31 6.43 -2.36 3.99 -0.08 -1.25 -4.51 116.55 124.08 2pqe n ASP 83 Ca -0.06 -2.44 -0.06 0.00 -1.51 0.00 0.00 54.79 50.73 2pqe n ASP 83 Cb 0.49 -1.29 -0.00 0.00 2.34 0.00 0.00 41.12 42.66 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 4.03 -2.50 -0.38 -0.67 4.76 -1.26 -4.71 118.16 117.43 2pqe n LYS 84 Ca 0.59 0.29 0.02 0.00 -2.87 0.00 0.00 58.31 56.34 2pqe n LYS 84 Cb 0.18 -4.81 0.03 0.00 -1.84 0.00 0.00 35.03 28.59 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 -2.80 0.00 -1.74 2.13 4.01 -1.26 -4.98 117.16 112.51 2pqe n TYR 85 Ca -0.07 -0.20 -0.16 0.00 -0.16 0.00 0.00 57.90 57.31 2pqe n TYR 85 Cb 0.52 -0.07 -0.05 0.00 -0.31 0.00 0.00 39.34 39.44 2pqe n TYR 85 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2pqe n GLY 86 N -0.29 0.90 3.43 2.72 0.00 -1.26 -4.93 105.19 105.75 2pqe n GLY 86 Ca 0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.69 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 -3.83 3.59 -0.81 1.61 3.00 -1.26 -4.49 118.95 116.76 2pqe s ARG 87 Ca 0.00 -0.52 -0.25 0.00 0.00 0.00 0.00 55.73 54.96 2pqe s ARG 87 Cb 0.00 -3.30 -0.10 0.00 0.00 0.00 0.00 34.95 31.55 2pqe s ARG 87 CO 0.00 -0.21 2.21 0.20 0.00 0.00 0.00 175.30 177.50 2pqe s GLY 88 N 1.60 -0.39 -0.09 -3.53 0.00 0.13 -3.90 107.32 101.13 2pqe s GLY 88 Ca 0.06 -1.03 -0.29 0.00 0.00 0.00 0.00 44.72 43.46 2pqe s GLY 88 CO 0.03 3.92 1.88 1.08 0.00 0.00 0.00 173.10 180.01 2pqe s LEU 89 N 12.69 4.09 0.00 0.66 1.43 0.32 -1.16 118.68 136.71 2pqe s LEU 89 Ca 0.83 2.19 0.00 0.00 -1.03 0.00 0.00 54.13 56.12 2pqe s LEU 89 Cb -0.11 -3.53 0.00 0.00 0.03 0.00 0.00 46.19 42.59 2pqe s LEU 89 CO 0.06 -1.26 0.00 0.00 0.23 0.00 0.00 176.35 175.37 2pqe n ALA 90 N 8.53 0.00 -1.86 4.21 0.00 0.22 -4.52 120.51 127.09 2pqe n ALA 90 Ca 0.21 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.27 2pqe n ALA 90 Cb 0.43 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.82 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 -0.11 0.00 2.02 -1.01 -1.70 117.35 118.38 2pqe s TYR 91 Ca 0.00 1.74 -0.07 0.00 -0.37 0.00 0.00 57.07 58.37 2pqe s TYR 91 Cb 0.00 -2.87 -0.04 0.00 -0.40 0.00 0.00 41.96 38.65 2pqe s TYR 91 CO 0.00 0.37 0.15 0.42 -1.57 0.00 0.00 175.55 174.91 2pqe s ILE 92 N -1.38 5.50 -0.05 2.71 -1.09 -1.26 -1.98 121.20 123.65 2pqe s ILE 92 Ca 0.43 0.17 0.02 0.00 -2.23 0.00 0.00 60.65 59.04 2pqe s ILE 92 Cb -0.21 -3.42 0.02 0.00 -1.58 0.00 0.00 42.46 37.26 2pqe s ILE 92 CO 0.26 0.58 -0.08 -0.31 -1.23 0.00 0.00 174.94 174.17 2pqe s TYR 93 N -1.07 1.06 -0.20 3.97 2.02 0.31 -2.29 117.35 121.15 2pqe s TYR 93 Ca 0.17 -0.35 -0.04 0.00 -0.37 0.00 0.00 57.07 56.48 2pqe s TYR 93 Cb -0.12 -0.83 -0.02 0.00 -0.40 0.00 0.00 41.96 40.59 2pqe s TYR 93 CO 0.06 -0.22 -0.02 0.00 -1.57 0.00 0.00 175.55 173.80 2pqe s ALA 94 N 0.74 2.94 -1.79 3.71 0.00 0.10 0.10 121.76 127.56 2pqe s ALA 94 Ca -0.13 -1.04 -0.18 0.00 0.00 0.00 0.00 51.96 50.62 2pqe s ALA 94 Cb -0.15 -1.72 0.18 0.00 0.00 0.00 0.00 23.12 21.44 2pqe s ALA 94 CO 0.02 -0.21 0.49 -0.25 0.00 0.00 0.00 175.76 175.81 2pqe n ASP 95 N 4.37 -1.37 -0.02 0.00 8.00 0.22 0.17 116.55 127.92 2pqe n ASP 95 Ca -0.17 -1.23 -0.00 0.00 0.71 0.00 0.00 54.79 54.10 2pqe n ASP 95 Cb 0.52 -1.74 -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 -1.43 0.40 3.39 0.44 0.00 -1.26 -5.05 105.19 101.69 2pqe n GLY 96 Ca 0.01 -1.08 -0.31 0.00 0.00 0.00 0.00 46.02 44.65 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 -1.99 2.10 -0.40 1.61 2.47 0.44 -5.09 119.74 118.87 2pqe s LYS 97 Ca 0.00 -0.95 -0.27 0.00 -1.56 0.00 0.00 55.97 53.19 2pqe s LYS 97 Cb 0.00 -2.13 0.02 0.00 -1.46 0.00 0.00 37.83 34.26 2pqe s LYS 97 CO 0.00 0.55 1.01 -1.64 0.16 0.00 0.00 175.35 175.44 2pqe s MET 98 N -1.02 3.82 0.09 4.03 -1.94 -1.26 0.00 119.30 123.01 2pqe s MET 98 Ca 0.12 0.62 -0.14 0.00 -1.71 0.00 0.00 55.69 54.58 2pqe s MET 98 Cb -0.10 -3.83 -0.15 0.00 2.01 0.00 0.00 34.83 32.75 2pqe s MET 98 CO 0.02 -1.09 1.30 0.28 -0.01 0.00 0.00 175.02 175.52 2pqe h VAL 99 N 5.95 1.30 -0.93 -6.03 2.07 -1.83 -1.99 116.25 114.78 2pqe h VAL 99 Ca -0.23 -1.87 0.04 0.00 0.82 0.00 0.00 66.70 65.46 2pqe h VAL 99 Cb 1.07 1.98 -0.06 0.00 -1.52 0.00 0.00 31.29 32.76 2pqe h VAL 99 CO 1.04 0.59 0.60 -0.55 0.02 0.00 0.00 177.57 179.27 2pqe h ASN 100 N 0.44 1.00 -0.02 0.57 -1.07 -1.92 -0.97 115.58 113.62 2pqe h ASN 100 Ca -0.03 -0.01 -0.02 0.00 0.07 0.00 0.00 56.30 56.31 2pqe h ASN 100 Cb 1.28 -0.23 0.00 0.00 -2.07 0.00 0.00 38.32 37.30 2pqe h ASN 100 CO 0.14 0.68 -0.06 -0.33 0.07 0.00 0.00 177.43 177.93 2pqe h GLU 101 N 1.16 0.07 -0.81 4.14 5.08 -1.93 -2.36 114.58 119.94 2pqe h GLU 101 Ca 0.37 -0.06 0.11 0.00 -1.00 0.00 0.00 59.36 58.79 2pqe h GLU 101 Cb 0.01 0.01 -0.08 0.00 0.50 0.00 0.00 28.75 29.19 2pqe h GLU 101 CO -0.12 0.70 0.43 0.00 -1.00 0.00 0.00 179.01 179.02 2pqe h ALA 102 N 0.37 1.17 0.18 3.43 0.00 -1.17 0.84 119.26 124.08 2pqe h ALA 102 Ca -0.00 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 2pqe h ALA 102 Cb 0.71 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.43 2pqe h ALA 102 CO 0.01 -0.00 -0.08 -0.07 0.00 0.00 0.00 179.25 179.11 2pqe h LEU 103 N 0.69 -0.20 0.09 0.00 3.38 -1.24 -1.69 115.31 116.34 2pqe h LEU 103 Ca 0.41 -0.29 -0.00 0.00 0.09 0.00 0.00 57.88 58.08 2pqe h LEU 103 Cb 0.47 0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.27 2pqe h LEU 103 CO -0.29 0.22 -0.04 0.58 0.09 0.00 0.00 178.44 179.00 2pqe h VAL 104 N -0.67 0.99 -0.18 1.22 2.07 -1.09 0.75 116.25 119.34 2pqe h VAL 104 Ca -0.02 -0.29 0.05 0.00 0.82 0.00 0.00 66.70 67.26 2pqe h VAL 104 Cb 0.48 1.18 -0.01 0.00 -1.52 0.00 0.00 31.29 31.43 2pqe h VAL 104 CO 0.04 0.07 0.14 0.08 0.02 0.00 0.00 177.57 177.92 2pqe h ARG 105 N -0.25 0.00 0.00 1.57 -0.00 0.61 -0.67 114.38 115.64 2pqe h ARG 105 Ca -0.01 0.00 -0.20 0.00 -0.00 0.00 0.00 59.98 59.76 2pqe h ARG 105 Cb 0.21 0.00 -0.03 0.00 -0.00 0.00 0.00 29.97 30.15 2pqe h ARG 105 CO 0.02 0.00 -1.23 1.96 -0.00 0.00 0.00 179.97 180.72 2pqe h GLN 106 N 0.00 0.00 0.00 0.08 1.08 -0.88 -3.45 115.11 111.93 2pqe h GLN 106 Ca 0.09 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.29 2pqe h GLN 106 Cb 0.36 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.79 2pqe h GLN 106 CO -0.00 0.57 0.00 0.41 -0.95 0.00 0.00 178.83 178.86 2pqe n GLY 107 N 1.40 0.92 0.00 3.46 0.00 0.13 -4.37 105.19 106.73 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 -4.60 0.99 4.32 0.22 -0.80 117.00 117.12 2pqe n LEU 108 Ca 0.00 0.00 -0.31 0.00 -0.02 0.00 0.00 56.01 55.68 2pqe n LEU 108 Cb 0.00 0.00 -0.10 0.00 -1.62 0.00 0.00 43.42 41.70 2pqe n LEU 108 CO 0.00 0.00 -0.39 0.00 -1.22 0.00 0.00 177.39 175.78 2pqe s ALA 109 N -1.74 3.03 0.00 -1.18 0.00 -1.11 -4.53 121.76 116.23 2pqe s ALA 109 Ca 0.00 -1.11 0.00 0.00 0.00 0.00 0.00 51.96 50.85 2pqe s ALA 109 Cb 0.00 -1.06 0.00 0.00 0.00 0.00 0.00 23.12 22.06 2pqe s ALA 109 CO 0.00 0.64 0.00 1.63 0.00 0.00 0.00 175.76 178.03 2pqe n LYS 110 N 1.14 1.68 -3.97 0.00 5.02 0.21 -4.03 118.16 118.20 2pqe n LYS 110 Ca -0.14 0.00 -0.34 0.00 -2.02 0.00 0.00 58.31 55.81 2pqe n LYS 110 Cb 0.52 0.00 -0.14 0.00 -0.02 0.00 0.00 35.03 35.39 2pqe n LYS 110 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2pqe s VAL 111 N 1.02 2.76 0.75 -0.18 0.11 -1.26 -2.26 120.40 121.33 2pqe s VAL 111 Ca 0.00 -1.27 -0.11 0.00 -2.93 0.00 0.00 61.98 57.67 2pqe s VAL 111 Cb 0.00 -2.50 0.04 0.00 -1.53 0.00 0.00 36.38 32.39 2pqe s VAL 111 CO 0.00 0.05 1.08 0.00 -3.33 0.00 0.00 175.10 172.90 2pqe s ALA 112 N 1.26 2.45 -0.62 1.54 0.00 -1.00 -4.85 121.76 120.54 2pqe s ALA 112 Ca -0.03 -0.06 0.04 0.00 0.00 0.00 0.00 51.96 51.91 2pqe s ALA 112 Cb -0.18 -3.14 0.16 0.00 0.00 0.00 0.00 23.12 19.96 2pqe s ALA 112 CO -0.04 -1.49 0.43 -0.47 0.00 0.00 0.00 175.76 174.19 2pqe s TYR 113 N -3.10 2.97 0.78 0.00 5.04 -1.26 -4.73 117.35 117.05 2pqe s TYR 113 Ca 0.59 -3.08 -0.11 0.00 -2.44 0.00 0.00 57.07 52.04 2pqe s TYR 113 Cb -0.14 -2.33 0.06 0.00 0.35 0.00 0.00 41.96 39.90 2pqe s TYR 113 CO 0.55 -0.63 1.11 0.54 -1.34 0.00 0.00 175.55 175.77 2pqe s VAL 114 N -0.95 3.09 0.09 3.14 0.11 -1.26 -4.96 120.40 119.66 2pqe s VAL 114 Ca 0.25 0.38 -0.33 0.00 -2.93 0.00 0.00 61.98 59.35 2pqe s VAL 114 Cb -0.06 -2.80 -0.15 0.00 -1.53 0.00 0.00 36.38 31.84 2pqe s VAL 114 CO -0.15 -0.44 1.59 1.88 -3.33 0.00 0.00 175.10 174.65 2pqe h TYR 115 N -1.09 -1.14 0.00 1.54 0.05 -2.01 -3.48 116.97 110.84 2pqe h TYR 115 Ca -0.44 0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.35 2pqe h TYR 115 Cb 1.24 0.44 0.00 0.00 1.01 0.00 0.00 36.73 39.42 2pqe h TYR 115 CO 0.56 -0.58 0.00 1.63 -1.05 0.00 0.00 178.16 178.72 2pqe n LYS 116 N -5.51 0.00 0.00 4.88 5.02 -1.26 -5.04 118.16 116.25 2pqe n LYS 116 Ca -0.11 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.18 2pqe n LYS 116 Cb 0.41 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.42 2pqe n LYS 116 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2pqe n GLY 117 N -0.46 0.97 2.28 0.72 0.00 -1.26 -4.63 105.19 102.81 2pqe n GLY 117 Ca 0.00 -0.08 -0.33 0.00 0.00 0.00 0.00 46.02 45.62 2pqe n GLY 117 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2pqe n ASN 118 N 0.01 7.05 -2.30 1.61 3.02 -1.26 -1.40 115.26 121.99 2pqe n ASN 118 Ca 0.00 -3.77 -0.30 0.00 -0.03 0.00 0.00 54.58 50.48 2pqe n ASN 118 Cb 0.00 -0.91 0.05 0.00 -0.61 0.00 0.00 39.78 38.31 2pqe n ASN 118 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2pqe n ASN 119 N -0.92 7.25 -0.07 6.41 3.02 -1.26 -4.50 115.26 125.18 2pqe n ASN 119 Ca 0.61 -3.55 -0.15 0.00 -0.03 0.00 0.00 54.58 51.46 2pqe n ASN 119 Cb 0.78 -1.03 -0.12 0.00 -0.61 0.00 0.00 39.78 38.79 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 1.21 1.61 -0.19 3.41 2.02 -2.03 -3.38 112.91 115.56 2pqe h THR 120 Ca 0.50 -2.28 -0.00 0.00 0.77 0.00 0.00 66.41 65.40 2pqe h THR 120 Cb 0.73 3.11 -0.00 0.00 -1.74 0.00 0.00 68.15 70.25 2pqe h THR 120 CO 1.29 0.55 -0.00 1.41 0.37 0.00 0.00 175.52 179.13 2pqe n HIS 121 N -4.59 0.68 -0.04 3.16 8.25 -1.26 -4.68 115.22 116.75 2pqe n HIS 121 Ca -0.13 -0.93 0.22 0.00 -0.26 0.00 0.00 57.72 56.63 2pqe n HIS 121 Cb 0.49 -0.27 0.70 0.00 1.12 0.00 0.00 29.99 32.03 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 1.29 0.00 -0.01 -0.41 4.22 -1.80 0.15 114.58 118.02 2pqe h GLU 122 Ca 0.00 0.00 -0.20 0.00 0.08 0.00 0.00 59.36 59.24 2pqe h GLU 122 Cb 1.33 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.57 2pqe h GLU 122 CO 0.16 0.00 -0.87 1.96 -2.18 0.00 0.00 179.01 178.08 2pqe h GLN 123 N 0.00 0.29 -0.01 1.92 4.20 -1.89 -2.37 115.11 117.25 2pqe h GLN 123 Ca 0.29 -0.30 -0.00 0.00 0.06 0.00 0.00 58.65 58.70 2pqe h GLN 123 Cb 1.18 0.08 -0.00 0.00 0.30 0.00 0.00 27.48 29.04 2pqe h GLN 123 CO -0.00 1.00 0.00 -0.07 -0.67 0.00 0.00 178.83 179.09 2pqe h LEU 124 N 0.17 0.01 -0.92 1.46 3.38 -1.06 -2.32 115.31 116.02 2pqe h LEU 124 Ca -0.05 -0.22 -0.09 0.00 0.09 0.00 0.00 57.88 57.61 2pqe h LEU 124 Cb 1.50 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.23 2pqe h LEU 124 CO 0.14 0.23 -0.17 -0.07 0.09 0.00 0.00 178.44 178.66 2pqe h LEU 125 N -0.20 0.59 -0.43 1.67 4.07 -1.52 -2.74 115.31 116.75 2pqe h LEU 125 Ca 0.00 -0.18 0.02 0.00 0.08 0.00 0.00 57.88 57.80 2pqe h LEU 125 Cb 0.22 -0.16 -0.03 0.00 1.08 0.00 0.00 40.66 41.77 2pqe h LEU 125 CO -0.00 0.77 0.25 0.03 -1.08 0.00 0.00 178.44 178.41 2pqe h ARG 126 N 0.54 0.49 0.01 1.13 3.08 -1.29 -0.97 114.38 117.35 2pqe h ARG 126 Ca 0.09 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.11 2pqe h ARG 126 Cb 0.60 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.54 2pqe h ARG 126 CO 0.04 0.32 -0.00 0.87 -1.07 0.00 0.00 179.97 180.13 2pqe h LYS 127 N 0.50 -0.01 -0.17 0.04 6.56 -1.28 -1.27 116.57 120.95 2pqe h LYS 127 Ca 0.17 0.00 0.05 0.00 -1.06 0.00 0.00 60.65 59.81 2pqe h LYS 127 Cb 0.02 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 31.67 2pqe h LYS 127 CO -0.08 0.11 0.14 1.03 -2.06 0.00 0.00 179.45 178.59 2pqe h SER 128 N -0.12 0.00 0.04 0.86 0.87 -1.26 -1.47 113.55 112.47 2pqe h SER 128 Ca -0.00 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2pqe h SER 128 Cb 0.12 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.08 2pqe h SER 128 CO 0.00 0.00 -0.02 -0.08 -0.53 0.00 0.00 176.83 176.20 2pqe h GLU 129 N 0.00 -0.06 -0.39 2.24 4.81 -0.63 -2.17 114.58 118.38 2pqe h GLU 129 Ca 0.08 0.00 0.07 0.00 -0.13 0.00 0.00 59.36 59.38 2pqe h GLU 129 Cb 0.37 0.01 -0.06 0.00 0.63 0.00 0.00 28.75 29.70 2pqe h GLU 129 CO -0.00 0.58 0.05 0.00 -0.73 0.00 0.00 179.01 178.91 2pqe h ALA 130 N -0.02 0.40 -0.69 2.92 0.00 -0.71 0.96 119.26 122.12 2pqe h ALA 130 Ca -0.01 0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 2pqe h ALA 130 Cb 0.67 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.57 2pqe h ALA 130 CO 0.01 -0.35 0.19 -0.56 0.00 0.00 0.00 179.25 178.53 2pqe h GLN 131 N 0.16 1.09 -0.19 0.00 3.07 -1.40 1.13 115.11 118.97 2pqe h GLN 131 Ca 0.19 -0.25 -0.15 0.00 0.09 0.00 0.00 58.65 58.53 2pqe h GLN 131 Cb 0.25 -0.15 -0.01 0.00 0.08 0.00 0.00 27.48 27.65 2pqe h GLN 131 CO -0.28 0.95 -0.50 0.00 0.09 0.00 0.00 178.83 179.10 2pqe h ALA 132 N 1.08 0.78 0.14 0.06 0.00 -0.67 0.86 119.26 121.51 2pqe h ALA 132 Ca 0.22 -0.49 -0.30 0.00 0.00 0.00 0.00 54.91 54.34 2pqe h ALA 132 Cb 0.34 -0.09 0.03 0.00 0.00 0.00 0.00 17.79 18.07 2pqe h ALA 132 CO -0.00 0.67 -1.28 -0.22 0.00 0.00 0.00 179.25 178.42 2pqe h LYS 133 N 0.41 0.56 0.00 0.00 3.11 0.12 0.26 116.57 121.04 2pqe h LYS 133 Ca 0.02 -0.80 -0.11 0.00 -2.81 0.00 0.00 60.65 56.95 2pqe h LYS 133 Cb 1.02 0.27 -0.02 0.00 -1.00 0.00 0.00 32.23 32.50 2pqe h LYS 133 CO 0.09 1.36 -0.52 -0.22 -2.81 0.00 0.00 179.45 177.35 2pqe h LYS 134 N 0.23 0.00 0.00 1.90 3.64 0.13 -3.13 116.57 119.34 2pqe h LYS 134 Ca -0.19 0.00 -0.18 0.00 -1.27 0.00 0.00 60.65 59.01 2pqe h LYS 134 Cb 1.96 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 33.75 2pqe h LYS 134 CO 0.24 0.52 -1.72 0.39 -2.27 0.00 0.00 179.45 176.61 2pqe n GLU 135 N -3.80 0.64 -2.87 1.90 1.02 0.29 -5.03 120.64 112.79 2pqe n GLU 135 Ca -0.01 0.10 -0.00 0.00 -0.02 0.00 0.00 57.16 57.23 2pqe n GLU 135 Cb 0.55 -1.70 0.00 0.00 -0.02 0.00 0.00 31.44 30.28 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 -2.75 -1.20 0.00 3.49 4.76 0.90 -5.01 118.16 118.36 2pqe n LYS 136 Ca -0.14 1.40 0.00 0.00 -2.87 0.00 0.00 58.31 56.71 2pqe n LYS 136 Cb 0.86 -5.26 0.00 0.00 -1.84 0.00 0.00 35.03 28.79 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 -1.62 0.39 0.00 -0.35 4.77 -1.12 -4.65 117.00 114.41 2pqe n LEU 137 Ca 0.00 0.48 0.00 0.00 -0.03 0.00 0.00 56.01 56.46 2pqe n LEU 137 Cb 0.50 -0.43 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 2pqe n LEU 137 CO 0.46 -0.43 0.00 0.59 -1.33 0.00 0.00 177.39 176.69 2pqe n ASN 138 N -1.79 0.00 -0.34 -1.43 3.02 -1.26 -4.72 115.26 108.75 2pqe n ASN 138 Ca 0.00 0.00 0.16 0.00 -0.03 0.00 0.00 54.58 54.71 2pqe n ASN 138 Cb 0.00 0.00 0.38 0.00 -0.61 0.00 0.00 39.78 39.55 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 0.62 -0.92 2.41 3.07 -1.26 0.30 117.51 121.73 2pqe h ILE 139 Ca 0.00 -0.22 -0.49 0.00 1.55 0.00 0.00 64.86 65.70 2pqe h ILE 139 Cb 0.00 -0.07 -0.29 0.00 -0.27 0.00 0.00 36.82 36.19 2pqe h ILE 139 CO 0.00 0.12 0.58 0.79 -1.05 0.00 0.00 178.15 178.58 2pqe n TRP 140 N -4.78 2.86 -1.39 0.16 5.03 -1.26 -4.43 117.44 113.63 2pqe n TRP 140 Ca 0.25 -1.91 -0.13 0.00 3.03 0.00 0.00 57.50 58.74 2pqe n TRP 140 Cb 0.68 -0.93 0.19 0.00 -1.03 0.00 0.00 31.31 30.22 2pqe n TRP 140 CO 0.00 0.00 0.00 -1.13 -0.03 0.00 0.00 177.69 176.53 2pqe n SER 141 N -1.13 3.11 -0.98 -0.99 3.41 0.11 -4.36 113.62 112.80 2pqe n SER 141 Ca 0.57 -3.73 -0.07 0.00 -0.26 0.00 0.00 58.87 55.38 2pqe n SER 141 Cb 1.53 -0.72 -0.07 0.00 -0.26 0.00 0.00 64.21 64.70 2pqe n SER 141 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 2pqe n GLU 142 N -1.12 0.00 -4.29 4.33 0.28 -1.26 -4.99 120.64 113.59 2pqe n GLU 142 Ca 0.44 -0.95 -0.27 0.00 -0.16 0.00 0.00 57.16 56.22 2pqe n GLU 142 Cb 1.26 0.48 -0.17 0.00 1.43 0.00 0.00 31.44 34.44 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 -0.95 2.14 -0.42 -1.84 -1.08 -1.26 -5.11 116.67 108.15 2pqe s ASP 143 Ca 0.00 -0.35 -0.18 0.00 -0.52 0.00 0.00 52.55 51.50 2pqe s ASP 143 Cb 0.00 -0.92 0.02 0.00 -1.46 0.00 0.00 42.92 40.56 2pqe s ASP 143 CO 0.00 -0.03 0.49 0.21 0.52 0.00 0.00 175.17 176.36 2pqe s ASN 144 N 1.15 6.23 -0.94 -0.34 2.47 -1.26 -4.99 114.94 117.25 2pqe s ASN 144 Ca -0.05 -0.58 -0.02 0.00 0.42 0.00 0.00 52.86 52.63 2pqe s ASN 144 Cb -0.14 -2.25 0.26 0.00 -1.45 0.00 0.00 41.25 37.67 2pqe s ASN 144 CO -0.03 -0.63 1.06 0.00 -3.72 0.00 0.00 177.10 173.78 2pqe n ALA 145 N 5.76 4.37 -3.15 1.71 0.00 -1.26 -4.89 120.51 123.05 2pqe n ALA 145 Ca -0.06 -4.71 0.06 0.00 0.00 0.00 0.00 53.44 48.73 2pqe n ALA 145 Cb 0.47 -1.86 -0.00 0.00 0.00 0.00 0.00 19.45 18.06 2pqe n ALA 145 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2pqe s ASP 146 N -0.95 -0.22 0.10 0.00 2.15 -1.26 -5.09 116.67 111.40 2pqe s ASP 146 Ca 0.32 0.05 0.00 0.00 0.43 0.00 0.00 52.55 53.34 2pqe s ASP 146 Cb 0.01 1.15 0.00 0.00 -0.30 0.00 0.00 42.92 43.78 2pqe s ASP 146 CO -0.02 -0.04 0.00 -1.20 -0.17 0.00 0.00 175.17 173.74 2pqe n SER 147 N 5.14 0.08 0.00 -0.34 7.64 -1.26 -5.08 113.62 119.81 2pqe n SER 147 Ca 0.06 0.17 0.00 0.00 1.01 0.00 0.00 58.87 60.12 2pqe n SER 147 Cb 0.58 0.09 0.00 0.00 -1.01 0.00 0.00 64.21 63.87 2pqe n SER 147 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2pqe n GLY 148 N 2.07 0.00 0.41 0.23 0.00 -1.26 -5.34 105.19 101.30 2pqe n GLY 148 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.07 2pqe n GLY 148 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26