#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pqe n THR 2 N 0.00 0.00 0.00 0.00 -2.24 -1.26 -5.04 114.28 105.75 2pqe n THR 2 Ca 0.00 -1.72 0.00 0.00 -2.27 0.00 0.00 64.05 60.06 2pqe n THR 2 Cb 0.00 0.73 0.00 0.00 -2.10 0.00 0.00 70.33 68.96 2pqe n THR 2 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2pqe n SER 3 N -1.86 0.06 0.12 3.42 7.64 -1.26 -4.95 113.62 116.79 2pqe n SER 3 Ca 0.00 0.02 -0.05 0.00 1.01 0.00 0.00 58.87 59.85 2pqe n SER 3 Cb 0.43 -0.01 -0.02 0.00 -1.01 0.00 0.00 64.21 63.60 2pqe n SER 3 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 2pqe h THR 4 N 0.00 0.00 -2.88 0.44 2.02 -2.10 -3.46 112.91 106.93 2pqe h THR 4 Ca 0.00 -0.16 -0.45 0.00 0.77 0.00 0.00 66.41 66.57 2pqe h THR 4 Cb 0.00 0.00 0.07 0.00 -1.74 0.00 0.00 68.15 66.48 2pqe h THR 4 CO 0.00 0.00 0.09 -0.54 0.37 0.00 0.00 175.52 175.44 2pqe s LYS 5 N -3.01 2.20 0.12 6.66 -0.14 -1.26 -5.11 119.74 119.19 2pqe s LYS 5 Ca -0.05 -0.67 0.07 0.00 -1.36 0.00 0.00 55.97 53.96 2pqe s LYS 5 Cb 0.00 -2.34 -0.04 0.00 -1.68 0.00 0.00 37.83 33.78 2pqe s LYS 5 CO 0.15 -1.08 -0.10 0.15 -0.76 0.00 0.00 175.35 173.71 2pqe s LYS 6 N -5.03 2.12 -0.62 1.68 1.02 -1.26 -4.62 119.74 113.03 2pqe s LYS 6 Ca 0.61 -1.06 0.05 0.00 0.02 0.00 0.00 55.97 55.58 2pqe s LYS 6 Cb -0.09 -2.29 0.16 0.00 -0.52 0.00 0.00 37.83 35.10 2pqe s LYS 6 CO 0.42 0.50 0.43 -1.17 -0.92 0.00 0.00 175.35 174.61 2pqe s LEU 7 N -2.31 4.04 0.38 3.17 1.98 -1.26 -5.07 118.68 119.61 2pqe s LEU 7 Ca 0.22 -3.58 0.08 0.00 -2.89 0.00 0.00 54.13 47.96 2pqe s LEU 7 Cb -0.11 -1.38 -0.03 0.00 0.66 0.00 0.00 46.19 45.33 2pqe s LEU 7 CO 0.14 -0.12 0.26 -1.38 -1.89 0.00 0.00 176.35 173.36 2pqe s HIS 8 N -0.99 2.72 0.60 5.38 -3.43 -1.26 -4.84 115.29 113.48 2pqe s HIS 8 Ca 0.25 -0.45 -0.18 0.00 -0.80 0.00 0.00 55.06 53.88 2pqe s HIS 8 Cb -0.06 -1.94 -0.03 0.00 -1.43 0.00 0.00 32.58 29.13 2pqe s HIS 8 CO -0.15 0.11 1.16 -1.59 -2.00 0.00 0.00 174.74 172.26 2pqe s LYS 9 N -3.99 2.99 -0.30 -0.38 0.00 -1.26 -4.73 119.74 112.06 2pqe s LYS 9 Ca 0.43 1.64 -0.18 0.00 0.00 0.00 0.00 55.97 57.86 2pqe s LYS 9 Cb -0.02 -1.95 0.21 0.00 0.00 0.00 0.00 37.83 36.07 2pqe s LYS 9 CO 0.25 -1.15 1.32 -2.00 0.00 0.00 0.00 175.35 173.77 2pqe s GLU 10 N -3.55 0.04 0.00 1.78 2.12 0.34 -4.77 118.70 114.67 2pqe s GLU 10 Ca 0.73 0.07 0.00 0.00 0.36 0.00 0.00 54.97 56.13 2pqe s GLU 10 Cb -0.26 0.01 0.00 0.00 0.26 0.00 0.00 34.13 34.15 2pqe s GLU 10 CO 0.34 -0.01 0.00 0.00 -0.54 0.00 0.00 175.26 175.05 2pqe n ALA 11 N 2.67 0.32 0.00 6.30 0.00 -1.25 -2.28 120.51 126.28 2pqe n ALA 11 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.29 2pqe n ALA 11 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.01 2pqe n ALA 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2pqe n ALA 12 N -3.00 0.00 -3.56 0.00 0.00 -1.00 -3.98 120.51 108.97 2pqe n ALA 12 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.30 2pqe n ALA 12 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 2pqe n ALA 12 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2pqe s THR 13 N 0.00 0.00 -0.00 0.00 2.01 -1.04 -4.16 115.64 112.44 2pqe s THR 13 Ca 0.00 0.00 -0.12 0.00 0.31 0.00 0.00 61.69 61.88 2pqe s THR 13 Cb 0.00 -1.00 -0.05 0.00 0.01 0.00 0.00 72.50 71.46 2pqe s THR 13 CO 0.00 0.00 0.35 -0.22 -0.69 0.00 0.00 174.62 174.06 2pqe s LEU 14 N -0.82 4.43 -0.19 4.42 0.20 -1.26 0.19 118.68 125.64 2pqe s LEU 14 Ca -0.05 0.81 -0.15 0.00 0.69 0.00 0.00 54.13 55.42 2pqe s LEU 14 Cb -0.01 -2.58 -0.20 0.00 -0.43 0.00 0.00 46.19 42.97 2pqe s LEU 14 CO 0.05 0.30 0.16 -0.38 -0.29 0.00 0.00 176.35 176.19 2pqe n ILE 15 N 1.60 1.60 -3.65 6.68 -0.00 0.10 -4.84 119.36 120.86 2pqe n ILE 15 Ca -0.14 -0.28 -0.02 0.00 -0.00 0.00 0.00 62.75 62.31 2pqe n ILE 15 Cb 0.53 -1.90 -0.07 0.00 -0.00 0.00 0.00 39.64 38.20 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 -2.44 0.03 0.47 0.38 2.20 -1.07 -5.02 119.74 114.29 2pqe s LYS 16 Ca -0.29 0.03 -0.17 0.00 -0.36 0.00 0.00 55.97 55.19 2pqe s LYS 16 Cb 0.07 0.02 -0.09 0.00 -1.51 0.00 0.00 37.83 36.32 2pqe s LYS 16 CO 0.63 -0.00 0.94 0.00 -0.36 0.00 0.00 175.35 176.56 2pqe s ALA 17 N -0.10 3.10 -0.13 3.13 0.00 -1.26 0.46 121.76 126.95 2pqe s ALA 17 Ca 0.08 0.19 -0.11 0.00 0.00 0.00 0.00 51.96 52.12 2pqe s ALA 17 Cb -0.05 -3.07 -0.06 0.00 0.00 0.00 0.00 23.12 19.95 2pqe s ALA 17 CO -0.15 -0.09 -0.24 -0.89 0.00 0.00 0.00 175.76 174.39 2pqe n ILE 18 N -1.25 1.26 -3.02 0.00 5.41 0.48 -4.82 119.36 117.42 2pqe n ILE 18 Ca 0.06 0.04 -0.15 0.00 1.00 0.00 0.00 62.75 63.70 2pqe n ILE 18 Cb 0.54 -1.96 0.01 0.00 -0.71 0.00 0.00 39.64 37.52 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 -4.02 -0.33 0.00 4.38 8.00 0.52 -4.97 116.55 120.13 2pqe n ASP 19 Ca -0.20 -3.26 0.00 0.00 0.71 0.00 0.00 54.79 52.04 2pqe n ASP 19 Cb 0.51 0.31 0.00 0.00 -0.02 0.00 0.00 41.12 41.92 2pqe n ASP 19 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2pqe n GLY 20 N 0.32 0.27 0.06 0.44 0.00 -1.24 -3.21 105.19 101.83 2pqe n GLY 20 Ca 0.18 -0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.13 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 -3.55 1.61 2.03 -1.87 -3.42 116.42 111.21 2pqe h ASP 21 Ca 0.00 0.00 -0.71 0.00 -0.73 0.00 0.00 57.03 55.59 2pqe h ASP 21 Cb 0.00 0.00 -0.21 0.00 -0.83 0.00 0.00 39.33 38.29 2pqe h ASP 21 CO 0.00 0.99 -0.44 -0.89 -1.03 0.00 0.00 179.24 177.87 2pqe s THR 22 N -2.71 5.26 0.03 1.15 2.01 -1.20 -0.82 115.64 119.36 2pqe s THR 22 Ca 0.01 -0.57 0.01 0.00 0.31 0.00 0.00 61.69 61.45 2pqe s THR 22 Cb 0.10 -3.88 -0.02 0.00 0.01 0.00 0.00 72.50 68.71 2pqe s THR 22 CO 0.82 -0.24 -0.05 0.68 -0.69 0.00 0.00 174.62 175.14 2pqe s VAL 23 N 1.69 0.27 -0.53 3.82 -7.23 -0.45 0.18 120.40 118.15 2pqe s VAL 23 Ca 0.05 -0.88 -0.25 0.00 -1.81 0.00 0.00 61.98 59.09 2pqe s VAL 23 Cb -0.19 -0.37 0.04 0.00 0.56 0.00 0.00 36.38 36.42 2pqe s VAL 23 CO 0.10 -0.40 0.94 -0.54 -0.31 0.00 0.00 175.10 174.89 2pqe s LYS 24 N -1.36 3.38 -0.15 4.82 1.02 0.17 0.70 119.74 128.34 2pqe s LYS 24 Ca -0.12 -0.15 -0.03 0.00 0.02 0.00 0.00 55.97 55.69 2pqe s LYS 24 Cb -0.09 -4.02 -0.02 0.00 -0.52 0.00 0.00 37.83 33.18 2pqe s LYS 24 CO -0.00 -1.42 -0.06 -1.17 -0.92 0.00 0.00 175.35 171.78 2pqe s LEU 25 N 3.92 3.14 -0.75 3.17 0.20 0.45 0.01 118.68 128.81 2pqe s LEU 25 Ca 0.32 -0.17 -0.26 0.00 0.69 0.00 0.00 54.13 54.72 2pqe s LEU 25 Cb -0.12 -1.75 0.04 0.00 -0.43 0.00 0.00 46.19 43.94 2pqe s LEU 25 CO 0.21 0.17 1.24 -0.32 -0.29 0.00 0.00 176.35 177.36 2pqe s MET 26 N 0.34 3.22 -0.07 1.98 -2.45 0.49 -1.21 119.30 121.60 2pqe s MET 26 Ca -0.06 -0.45 -0.03 0.00 -1.25 0.00 0.00 55.69 53.90 2pqe s MET 26 Cb -0.15 -4.30 -0.04 0.00 1.25 0.00 0.00 34.83 31.60 2pqe s MET 26 CO 0.04 -2.09 0.08 -0.47 1.05 0.00 0.00 175.02 173.63 2pqe s TYR 27 N 5.32 3.38 -0.45 4.11 6.14 0.27 -2.51 117.35 133.62 2pqe s TYR 27 Ca 0.34 0.33 0.00 0.00 0.64 0.00 0.00 57.07 58.38 2pqe s TYR 27 Cb -0.09 -1.83 0.00 0.00 0.42 0.00 0.00 41.96 40.46 2pqe s TYR 27 CO 0.12 0.60 0.00 0.36 0.64 0.00 0.00 175.55 177.27 2pqe n LYS 28 N 1.77 -2.36 -0.60 4.97 -0.00 -1.26 0.12 118.16 120.80 2pqe n LYS 28 Ca -0.17 0.25 0.00 0.00 -0.00 0.00 0.00 58.31 58.39 2pqe n LYS 28 Cb 0.54 -4.70 0.00 0.00 -0.00 0.00 0.00 35.03 30.87 2pqe n LYS 28 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2pqe n GLY 29 N -0.51 0.63 2.86 2.58 0.00 -1.26 -5.07 105.19 104.42 2pqe n GLY 29 Ca -0.06 -0.60 -0.16 0.00 0.00 0.00 0.00 46.02 45.19 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 -1.13 0.35 -0.51 1.61 -2.07 0.32 -5.10 119.66 113.12 2pqe s GLN 30 Ca 0.00 -0.01 -0.27 0.00 -1.82 0.00 0.00 55.36 53.26 2pqe s GLN 30 Cb 0.00 -0.45 0.03 0.00 -1.09 0.00 0.00 33.01 31.51 2pqe s GLN 30 CO 0.00 -0.06 1.08 0.00 -1.32 0.00 0.00 175.29 174.99 2pqe s ALA 31 N 0.63 3.13 0.16 2.60 0.00 -1.26 0.97 121.76 127.99 2pqe s ALA 31 Ca -0.07 -0.74 0.10 0.00 0.00 0.00 0.00 51.96 51.26 2pqe s ALA 31 Cb -0.10 -3.85 -0.04 0.00 0.00 0.00 0.00 23.12 19.13 2pqe s ALA 31 CO -0.01 -2.34 -0.22 0.00 0.00 0.00 0.00 175.76 173.20 2pqe s MET 32 N 4.36 1.34 -0.42 0.00 0.23 -0.35 -4.91 119.30 119.55 2pqe s MET 32 Ca 0.42 -1.39 -0.29 0.00 -1.03 0.00 0.00 55.69 53.40 2pqe s MET 32 Cb -0.08 -1.59 0.02 0.00 -1.53 0.00 0.00 34.83 31.65 2pqe s MET 32 CO 0.27 0.35 1.12 0.99 -2.03 0.00 0.00 175.02 175.72 2pqe s THR 33 N -1.61 4.31 0.27 3.16 2.01 -1.26 -0.41 115.64 122.11 2pqe s THR 33 Ca 0.15 1.41 0.00 0.00 0.31 0.00 0.00 61.69 63.56 2pqe s THR 33 Cb -0.08 -4.53 -0.04 0.00 0.01 0.00 0.00 72.50 67.86 2pqe s THR 33 CO 0.07 -0.82 0.46 -0.36 -0.69 0.00 0.00 174.62 173.29 2pqe s PHE 34 N 4.18 3.48 -0.04 4.92 0.40 0.22 -0.39 117.98 130.75 2pqe s PHE 34 Ca 0.47 0.33 -0.01 0.00 -0.60 0.00 0.00 56.93 57.12 2pqe s PHE 34 Cb -0.09 -1.86 0.03 0.00 0.51 0.00 0.00 43.02 41.61 2pqe s PHE 34 CO 0.26 0.27 0.04 1.03 0.70 0.00 0.00 175.22 177.51 2pqe s ARG 35 N -3.81 0.08 0.05 0.44 1.81 -0.66 -1.34 118.95 115.53 2pqe s ARG 35 Ca 0.39 0.25 -0.32 0.00 -1.72 0.00 0.00 55.73 54.34 2pqe s ARG 35 Cb -0.10 -0.52 -0.11 0.00 -0.45 0.00 0.00 34.95 33.78 2pqe s ARG 35 CO 0.32 -0.26 1.87 1.28 -0.68 0.00 0.00 175.30 177.83 2pqe n LEU 36 N 4.86 3.89 -4.72 2.53 4.77 -0.00 -0.72 117.00 127.61 2pqe n LEU 36 Ca -0.12 0.96 -0.41 0.00 -0.03 0.00 0.00 56.01 56.41 2pqe n LEU 36 Cb 0.50 -1.49 -0.04 0.00 -2.33 0.00 0.00 43.42 40.06 2pqe n LEU 36 CO 0.13 0.10 0.65 -0.76 -1.33 0.00 0.00 177.39 176.18 2pqe s LEU 37 N 3.45 4.43 -1.43 2.23 1.43 -0.78 -3.56 118.68 124.45 2pqe s LEU 37 Ca 0.86 1.70 -0.00 0.00 -1.03 0.00 0.00 54.13 55.66 2pqe s LEU 37 Cb -0.53 -3.54 0.00 0.00 0.03 0.00 0.00 46.19 42.15 2pqe s LEU 37 CO 0.42 -0.15 0.02 0.18 0.23 0.00 0.00 176.35 177.05 2pqe n LEU 38 N 3.31 -1.80 -3.85 1.79 4.77 -1.26 -4.81 117.00 115.15 2pqe n LEU 38 Ca 0.04 -0.03 -0.11 0.00 -0.03 0.00 0.00 56.01 55.88 2pqe n LEU 38 Cb 0.50 -2.47 -0.09 0.00 -2.33 0.00 0.00 43.42 39.03 2pqe n LEU 38 CO 0.51 -0.16 -0.11 -0.69 -1.33 0.00 0.00 177.39 175.61 2pqe s VAL 39 N -2.85 0.10 -0.19 4.08 1.01 -1.23 -1.78 120.40 119.54 2pqe s VAL 39 Ca 0.01 -0.82 -0.04 0.00 0.00 0.00 0.00 61.98 61.13 2pqe s VAL 39 Cb -0.00 -0.78 0.06 0.00 0.00 0.00 0.00 36.38 35.66 2pqe s VAL 39 CO 0.01 -0.45 0.08 -0.62 0.00 0.00 0.00 175.10 174.12 2pqe s ASP 40 N -1.87 2.68 -0.65 3.32 2.15 0.12 -4.61 116.67 117.82 2pqe s ASP 40 Ca -0.08 -0.77 -0.00 0.00 0.43 0.00 0.00 52.55 52.12 2pqe s ASP 40 Cb -0.03 -0.38 0.16 0.00 -0.30 0.00 0.00 42.92 42.37 2pqe s ASP 40 CO -0.02 -0.35 0.45 -0.89 -0.17 0.00 0.00 175.17 174.20 2pqe s THR 41 N 2.03 3.48 0.29 1.71 2.01 -1.26 -1.00 115.64 122.90 2pqe s THR 41 Ca 0.02 -3.29 0.00 0.00 0.31 0.00 0.00 61.69 58.73 2pqe s THR 41 Cb -0.16 -3.28 0.00 0.00 0.01 0.00 0.00 72.50 69.07 2pqe s THR 41 CO -0.12 -0.90 0.00 0.00 -0.69 0.00 0.00 174.62 172.91 2pqe n ALA 42 N 3.10 -1.86 0.00 7.40 0.00 -1.26 -3.53 120.51 124.36 2pqe n ALA 42 Ca 0.10 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.98 2pqe n ALA 42 Cb 0.36 -0.76 0.00 0.00 0.00 0.00 0.00 19.45 19.05 2pqe n ALA 42 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2pqe n GLU 43 N -3.20 0.00 -2.96 0.00 4.07 -1.26 -4.82 120.64 112.48 2pqe n GLU 43 Ca -0.04 0.00 -0.10 0.00 -0.06 0.00 0.00 57.16 56.96 2pqe n GLU 43 Cb 0.34 0.00 0.01 0.00 -0.06 0.00 0.00 31.44 31.73 2pqe n GLU 43 CO 0.00 0.00 0.00 0.25 -0.06 0.00 0.00 177.13 177.32 2pqe n THR 44 N -1.45 -9.25 -1.36 6.31 -2.24 -1.26 -4.91 114.28 100.12 2pqe n THR 44 Ca 0.00 1.01 -0.18 0.00 -2.27 0.00 0.00 64.05 62.61 2pqe n THR 44 Cb 0.00 -6.12 0.17 0.00 -2.10 0.00 0.00 70.33 62.28 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 0.19 2.20 0.00 -0.78 -0.00 -1.26 -4.48 118.16 114.03 2pqe n LYS 45 Ca 0.04 -3.16 0.00 0.00 -0.00 0.00 0.00 58.31 55.19 2pqe n LYS 45 Cb 0.37 -2.06 0.00 0.00 -0.00 0.00 0.00 35.03 33.33 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 -1.10 -0.06 -1.82 5.58 -0.00 -1.26 -5.10 115.22 111.46 2pqe n HIS 46 Ca 0.50 0.00 -0.00 0.00 0.46 0.00 0.00 57.72 58.68 2pqe n HIS 46 Cb 1.31 0.02 0.00 0.00 -0.12 0.00 0.00 29.99 31.20 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 -1.54 -2.86 -0.10 3.57 -1.04 -1.26 -5.03 114.28 106.02 2pqe n THR 47 Ca 0.00 -0.07 -0.23 0.00 -2.04 0.00 0.00 64.05 61.71 2pqe n THR 47 Cb 0.00 -4.16 -0.12 0.00 -1.82 0.00 0.00 70.33 64.23 2pqe n THR 47 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 2pqe n LYS 48 N -1.22 0.64 0.00 -2.82 4.81 -1.26 -4.99 118.16 113.33 2pqe n LYS 48 Ca -0.00 0.27 0.00 0.00 -0.87 0.00 0.00 58.31 57.70 2pqe n LYS 48 Cb 0.50 -1.58 0.00 0.00 0.02 0.00 0.00 35.03 33.97 2pqe n LYS 48 CO 0.00 0.00 0.00 0.36 1.17 0.00 0.00 177.40 178.93 2pqe n LYS 49 N -3.75 0.00 0.00 1.64 0.00 -1.26 -5.01 118.16 109.77 2pqe n LYS 49 Ca -0.44 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 57.87 2pqe n LYS 49 Cb 0.93 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.96 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 -0.24 1.95 0.79 2.58 0.00 -1.26 -5.02 105.19 103.99 2pqe n GLY 50 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.02 2pqe n GLY 50 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2pqe n VAL 51 N -0.23 0.00 0.22 1.61 0.31 -1.26 -2.82 118.33 116.16 2pqe n VAL 51 Ca 0.00 -0.21 0.10 0.00 -0.01 0.00 0.00 64.34 64.22 2pqe n VAL 51 Cb 0.00 0.48 0.43 0.00 -0.91 0.00 0.00 33.84 33.83 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 0.21 0.00 0.00 5.55 4.11 -1.95 -3.37 114.58 119.14 2pqe h GLU 52 Ca -0.14 0.00 -0.14 0.00 0.07 0.00 0.00 59.36 59.15 2pqe h GLU 52 Cb 1.40 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 30.53 2pqe h GLU 52 CO -0.02 0.22 -0.24 0.36 0.07 0.00 0.00 179.01 179.39 2pqe n LYS 53 N -3.34 0.86 -3.15 1.06 0.00 -1.26 -4.82 118.16 107.50 2pqe n LYS 53 Ca 0.00 -1.01 -0.14 0.00 -0.00 0.00 0.00 58.31 57.16 2pqe n LYS 53 Cb 0.45 0.41 0.07 0.00 -0.00 0.00 0.00 35.03 35.96 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 -0.98 -1.95 0.09 5.58 4.01 -1.26 -4.72 117.16 117.93 2pqe n TYR 54 Ca -0.18 0.78 -0.23 0.00 -0.16 0.00 0.00 57.90 58.11 2pqe n TYR 54 Cb 0.78 -4.41 -0.15 0.00 -0.31 0.00 0.00 39.34 35.25 2pqe n TYR 54 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 2pqe h GLY 55 N -1.41 0.47 0.62 2.72 0.00 -1.90 -3.09 103.07 100.48 2pqe h GLY 55 Ca -0.51 -1.20 -0.01 0.00 0.00 0.00 0.00 47.33 45.61 2pqe h GLY 55 CO 0.41 1.05 -0.14 0.00 0.00 0.00 0.00 176.54 177.87 2pqe h ALA 56 N 0.16 -0.38 -0.04 3.60 0.00 -1.89 -3.03 119.26 117.68 2pqe h ALA 56 Ca -0.32 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.41 2pqe h ALA 56 Cb 2.11 0.15 -0.00 0.00 0.00 0.00 0.00 17.79 20.04 2pqe h ALA 56 CO 0.19 -0.52 0.03 1.49 0.00 0.00 0.00 179.25 180.44 2pqe h GLU 57 N -0.76 0.00 -0.07 0.00 4.57 -1.84 -1.40 114.58 115.08 2pqe h GLU 57 Ca -0.04 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.14 2pqe h GLU 57 Cb 0.50 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.09 2pqe h GLU 57 CO 0.06 0.00 0.04 0.00 -1.18 0.00 0.00 179.01 177.93 2pqe h ALA 58 N 1.97 0.09 -0.26 2.92 0.00 -1.45 -0.92 119.26 121.62 2pqe h ALA 58 Ca 0.02 -0.03 -0.17 0.00 0.00 0.00 0.00 54.91 54.73 2pqe h ALA 58 Cb 0.08 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2pqe h ALA 58 CO -0.00 -0.39 -0.48 1.03 0.00 0.00 0.00 179.25 179.40 2pqe h SER 59 N 0.04 0.87 -0.59 0.00 0.87 -1.30 -2.65 113.55 110.79 2pqe h SER 59 Ca 0.02 -0.54 0.06 0.00 -1.23 0.00 0.00 61.79 60.11 2pqe h SER 59 Cb 0.05 -0.25 -0.03 0.00 -0.44 0.00 0.00 62.40 61.72 2pqe h SER 59 CO -0.00 1.24 0.39 0.00 -0.53 0.00 0.00 176.83 177.93 2pqe h ALA 60 N 0.65 1.81 -0.07 6.23 0.00 -1.15 1.00 119.26 127.73 2pqe h ALA 60 Ca 0.01 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.75 2pqe h ALA 60 Cb 1.09 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 18.74 2pqe h ALA 60 CO 0.11 0.10 -0.57 0.35 0.00 0.00 0.00 179.25 179.24 2pqe h PHE 61 N 0.58 0.71 -0.06 0.00 3.04 -1.10 -1.86 116.94 118.25 2pqe h PHE 61 Ca 0.25 -0.33 -0.13 0.00 3.98 0.00 0.00 57.97 61.74 2pqe h PHE 61 Cb 0.26 -0.10 0.01 0.00 2.56 0.00 0.00 35.95 38.68 2pqe h PHE 61 CO -0.00 1.13 -0.49 1.15 -2.02 0.00 0.00 178.31 178.08 2pqe h THR 62 N 0.08 1.40 -0.39 4.41 2.02 -1.03 -2.25 112.91 117.16 2pqe h THR 62 Ca -0.05 -1.89 -0.10 0.00 0.77 0.00 0.00 66.41 65.14 2pqe h THR 62 Cb 1.23 2.37 -0.02 0.00 -1.74 0.00 0.00 68.15 69.99 2pqe h THR 62 CO 0.12 0.55 -0.18 0.07 0.37 0.00 0.00 175.52 176.45 2pqe h LYS 63 N -0.03 0.73 0.46 6.66 2.10 0.91 -0.51 116.57 126.89 2pqe h LYS 63 Ca -0.04 -0.27 -0.02 0.00 -2.00 0.00 0.00 60.65 58.31 2pqe h LYS 63 Cb 1.16 -0.05 0.00 0.00 -0.90 0.00 0.00 32.23 32.45 2pqe h LYS 63 CO 0.10 0.86 -0.22 0.87 -2.00 0.00 0.00 179.45 179.06 2pqe h LYS 64 N 0.65 -0.60 -0.24 0.07 6.56 -1.41 0.18 116.57 121.79 2pqe h LYS 64 Ca 0.10 0.04 0.06 0.00 -1.06 0.00 0.00 60.65 59.79 2pqe h LYS 64 Cb 0.66 0.14 -0.01 0.00 -0.57 0.00 0.00 32.23 32.45 2pqe h LYS 64 CO 0.05 -0.37 0.17 1.98 -2.06 0.00 0.00 179.45 179.21 2pqe h MET 65 N -1.14 0.04 0.15 3.15 4.05 -1.47 0.86 114.93 120.57 2pqe h MET 65 Ca -0.06 -0.00 -0.25 0.00 -0.28 0.00 0.00 59.70 59.11 2pqe h MET 65 Cb 0.50 -0.01 0.02 0.00 -0.80 0.00 0.00 31.60 31.31 2pqe h MET 65 CO 0.10 0.02 -1.16 -0.24 0.23 0.00 0.00 176.91 175.87 2pqe h VAL 66 N 0.04 1.30 -0.01 -5.77 3.04 -1.12 -1.47 116.25 112.26 2pqe h VAL 66 Ca 0.11 -2.52 -0.18 0.00 -1.01 0.00 0.00 66.70 63.11 2pqe h VAL 66 Cb 0.39 3.00 -0.02 0.00 -2.01 0.00 0.00 31.29 32.66 2pqe h VAL 66 CO -0.01 0.73 -0.79 1.05 -1.01 0.00 0.00 177.57 177.55 2pqe h GLU 67 N -0.25 0.13 0.00 4.17 -0.00 -0.53 -3.17 114.58 114.94 2pqe h GLU 67 Ca -0.22 -0.13 -0.14 0.00 -0.00 0.00 0.00 59.36 58.86 2pqe h GLU 67 Cb 1.79 0.03 -0.02 0.00 -0.00 0.00 0.00 28.75 30.55 2pqe h GLU 67 CO 0.14 0.85 -0.85 -0.91 -0.00 0.00 0.00 179.01 178.25 2pqe h ASN 68 N 0.08 0.00 -0.87 3.06 4.21 0.61 -3.31 115.58 119.37 2pqe h ASN 68 Ca -0.02 0.00 0.05 0.00 1.21 0.00 0.00 56.30 57.54 2pqe h ASN 68 Cb 1.38 0.00 -0.06 0.00 -1.12 0.00 0.00 38.32 38.53 2pqe h ASN 68 CO 0.11 0.62 0.55 0.00 -1.29 0.00 0.00 177.43 177.42 2pqe h ALA 69 N 1.38 1.18 0.00 -0.83 0.00 -1.23 -3.46 119.26 116.30 2pqe h ALA 69 Ca -0.05 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2pqe h ALA 69 Cb 1.52 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 19.05 2pqe h ALA 69 CO 0.07 0.33 0.00 1.63 0.00 0.00 0.00 179.25 181.28 2pqe n LYS 70 N -4.59 0.00 -3.93 0.00 5.02 -1.24 -4.63 118.16 108.79 2pqe n LYS 70 Ca 0.12 0.00 -0.27 0.00 -2.02 0.00 0.00 58.31 56.14 2pqe n LYS 70 Cb 0.15 -0.04 -0.17 0.00 -0.02 0.00 0.00 35.03 34.95 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 -0.01 1.53 -0.01 1.97 2.20 -1.26 -4.83 119.74 119.33 2pqe s LYS 71 Ca 0.00 -0.26 0.07 0.00 -0.36 0.00 0.00 55.97 55.42 2pqe s LYS 71 Cb 0.00 -1.58 -0.02 0.00 -1.51 0.00 0.00 37.83 34.72 2pqe s LYS 71 CO 0.00 -0.25 -0.23 0.42 -0.36 0.00 0.00 175.35 174.92 2pqe s ILE 72 N 1.66 1.85 -0.02 5.43 1.09 -1.26 0.96 121.20 130.91 2pqe s ILE 72 Ca 0.04 -1.03 0.02 0.00 -1.10 0.00 0.00 60.65 58.58 2pqe s ILE 72 Cb -0.13 -1.54 0.00 0.00 -1.06 0.00 0.00 42.46 39.74 2pqe s ILE 72 CO -0.08 0.49 -0.08 -1.61 -0.10 0.00 0.00 174.94 173.57 2pqe s GLU 73 N -0.63 0.84 0.09 2.79 2.02 0.14 -2.37 118.70 121.59 2pqe s GLU 73 Ca 0.09 -0.26 0.07 0.00 0.02 0.00 0.00 54.97 54.89 2pqe s GLU 73 Cb -0.09 -0.80 -0.04 0.00 0.10 0.00 0.00 34.13 33.30 2pqe s GLU 73 CO -0.01 0.09 -0.11 0.14 0.02 0.00 0.00 175.26 175.40 2pqe s VAL 74 N 0.22 3.31 -0.16 2.63 -7.23 -0.97 -0.82 120.40 117.40 2pqe s VAL 74 Ca -0.03 -1.24 -0.01 0.00 -1.81 0.00 0.00 61.98 58.90 2pqe s VAL 74 Cb -0.08 -2.53 0.04 0.00 0.56 0.00 0.00 36.38 34.37 2pqe s VAL 74 CO 0.00 0.15 -0.05 -0.70 -0.31 0.00 0.00 175.10 174.19 2pqe s GLU 75 N -2.08 1.41 -0.17 4.82 2.12 -0.96 -0.50 118.70 123.34 2pqe s GLU 75 Ca 0.20 -0.46 -0.20 0.00 0.36 0.00 0.00 54.97 54.87 2pqe s GLU 75 Cb -0.11 -1.92 -0.03 0.00 0.26 0.00 0.00 34.13 32.33 2pqe s GLU 75 CO 0.12 -0.41 0.60 -0.06 -0.54 0.00 0.00 175.26 174.97 2pqe s PHE 76 N 1.66 3.42 0.00 5.30 0.40 -1.26 -2.14 117.98 125.37 2pqe s PHE 76 Ca 0.01 0.94 0.00 0.00 -0.60 0.00 0.00 56.93 57.29 2pqe s PHE 76 Cb -0.15 -2.74 0.00 0.00 0.51 0.00 0.00 43.02 40.64 2pqe s PHE 76 CO -0.08 -0.07 0.00 -3.47 0.70 0.00 0.00 175.22 172.30 2pqe n ASP 77 N 4.61 0.00 0.05 1.36 2.03 -1.26 -5.00 116.55 118.34 2pqe n ASP 77 Ca -0.03 -0.94 0.12 0.00 0.52 0.00 0.00 54.79 54.47 2pqe n ASP 77 Cb 0.50 0.00 0.24 0.00 -0.72 0.00 0.00 41.12 41.15 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 -0.94 0.23 0.00 -0.67 4.01 -1.26 -4.70 118.16 114.82 2pqe n LYS 78 Ca 0.00 0.09 0.00 0.00 -0.51 0.00 0.00 58.31 57.89 2pqe n LYS 78 Cb 0.00 -1.66 0.00 0.00 -0.51 0.00 0.00 35.03 32.86 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 1.37 -2.02 3.37 0.72 0.00 -1.25 -4.60 105.19 102.77 2pqe n GLY 79 Ca 0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.76 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 1.77 -0.15 1.61 0.74 -1.26 -4.70 119.66 117.67 2pqe s GLN 80 Ca 0.00 -1.14 0.17 0.00 0.05 0.00 0.00 55.36 54.44 2pqe s GLN 80 Cb 0.00 -1.99 -0.24 0.00 1.10 0.00 0.00 33.01 31.87 2pqe s GLN 80 CO 0.00 0.50 0.26 -2.13 -0.55 0.00 0.00 175.29 173.38 2pqe n ARG 81 N 1.59 0.67 -3.56 1.67 0.00 -1.26 -4.54 116.66 111.23 2pqe n ARG 81 Ca -0.17 0.07 -0.17 0.00 -0.00 0.00 0.00 57.85 57.58 2pqe n ARG 81 Cb 0.52 -1.60 -0.14 0.00 0.00 0.00 0.00 32.46 31.24 2pqe n ARG 81 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.63 178.58 2pqe s THR 82 N -2.56 -0.32 -0.84 5.15 -4.23 -1.25 -0.92 115.64 110.67 2pqe s THR 82 Ca -0.08 0.05 -0.10 0.00 -1.18 0.00 0.00 61.69 60.37 2pqe s THR 82 Cb 0.07 -0.55 -0.08 0.00 1.34 0.00 0.00 72.50 73.27 2pqe s THR 82 CO 0.83 -0.08 2.01 -0.67 -0.54 0.00 0.00 174.62 176.17 2pqe n ASP 83 N 5.32 4.03 -2.43 3.99 2.03 -1.26 -4.39 116.55 123.84 2pqe n ASP 83 Ca -0.05 -2.42 -0.06 0.00 0.52 0.00 0.00 54.79 52.78 2pqe n ASP 83 Cb 0.50 -1.08 -0.00 0.00 -0.72 0.00 0.00 41.12 39.81 2pqe n ASP 83 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2pqe n LYS 84 N 5.07 -2.55 -0.76 -0.67 4.76 -1.26 -4.70 118.16 118.05 2pqe n LYS 84 Ca 0.44 0.31 0.01 0.00 -2.87 0.00 0.00 58.31 56.20 2pqe n LYS 84 Cb 0.21 -4.85 0.00 0.00 -1.84 0.00 0.00 35.03 28.55 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 -2.91 0.00 -1.85 2.13 4.01 -1.26 -4.99 117.16 112.30 2pqe n TYR 85 Ca -0.07 -0.13 -0.13 0.00 -0.16 0.00 0.00 57.90 57.40 2pqe n TYR 85 Cb 0.55 -0.05 -0.03 0.00 -0.31 0.00 0.00 39.34 39.49 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 0.13 0.48 3.97 2.72 0.00 -1.26 -4.94 105.19 106.29 2pqe n GLY 86 Ca 0.01 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.79 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 -3.96 2.02 -0.94 1.61 0.52 -1.26 -4.85 118.95 112.08 2pqe s ARG 87 Ca 0.00 -0.73 -0.03 0.00 -0.52 0.00 0.00 55.73 54.45 2pqe s ARG 87 Cb 0.00 -2.30 0.24 0.00 0.52 0.00 0.00 34.95 33.41 2pqe s ARG 87 CO 0.00 -1.23 0.92 0.41 0.02 0.00 0.00 175.30 175.42 2pqe n GLY 88 N -2.77 4.30 3.69 -3.53 0.00 0.48 -3.90 105.19 103.47 2pqe n GLY 88 Ca 0.11 -2.62 -0.43 0.00 0.00 0.00 0.00 46.02 43.09 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 2.14 4.01 0.00 0.99 4.77 -0.10 -1.66 117.00 127.16 2pqe n LEU 89 Ca 0.23 0.98 0.00 0.00 -0.03 0.00 0.00 56.01 57.20 2pqe n LEU 89 Cb 0.37 -1.54 0.00 0.00 -2.33 0.00 0.00 43.42 39.93 2pqe n LEU 89 CO 0.42 0.16 0.00 0.00 -1.33 0.00 0.00 177.39 176.64 2pqe n ALA 90 N 5.74 0.00 -1.86 -1.18 0.00 0.10 -4.66 120.51 118.66 2pqe n ALA 90 Ca 0.18 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.23 2pqe n ALA 90 Cb 0.37 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.76 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 3.87 -0.17 0.00 1.51 -0.91 -1.86 117.35 117.79 2pqe s TYR 91 Ca 0.00 1.76 -0.08 0.00 -1.01 0.00 0.00 57.07 57.73 2pqe s TYR 91 Cb 0.00 -2.87 -0.05 0.00 -0.11 0.00 0.00 41.96 38.93 2pqe s TYR 91 CO 0.00 0.41 0.12 0.42 -1.11 0.00 0.00 175.55 175.39 2pqe s ILE 92 N -1.30 5.31 -0.08 2.71 -1.09 -1.26 -2.27 121.20 123.22 2pqe s ILE 92 Ca 0.42 0.15 0.00 0.00 -2.23 0.00 0.00 60.65 58.99 2pqe s ILE 92 Cb -0.23 -3.38 0.02 0.00 -1.58 0.00 0.00 42.46 37.30 2pqe s ILE 92 CO 0.27 0.50 -0.06 -0.31 -1.23 0.00 0.00 174.94 174.12 2pqe s TYR 93 N -0.10 1.09 -0.17 3.97 2.02 0.00 -2.42 117.35 121.74 2pqe s TYR 93 Ca 0.10 -0.43 -0.05 0.00 -0.37 0.00 0.00 57.07 56.31 2pqe s TYR 93 Cb -0.11 -0.96 -0.03 0.00 -0.40 0.00 0.00 41.96 40.46 2pqe s TYR 93 CO 0.00 -0.35 -0.00 0.00 -1.57 0.00 0.00 175.55 173.63 2pqe s ALA 94 N 1.41 3.10 -1.74 3.71 0.00 -0.62 0.28 121.76 127.90 2pqe s ALA 94 Ca -0.02 -0.85 -0.14 0.00 0.00 0.00 0.00 51.96 50.95 2pqe s ALA 94 Cb -0.13 -1.70 0.14 0.00 0.00 0.00 0.00 23.12 21.43 2pqe s ALA 94 CO -0.03 0.11 0.40 -3.47 0.00 0.00 0.00 175.76 172.76 2pqe n ASP 95 N 3.72 -0.91 -0.49 0.00 2.03 0.27 0.16 116.55 121.34 2pqe n ASP 95 Ca -0.17 -1.23 -0.06 0.00 0.52 0.00 0.00 54.79 53.85 2pqe n ASP 95 Cb 0.52 -1.74 -0.02 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 -1.65 0.60 3.59 0.27 0.00 -1.26 -5.03 105.19 101.69 2pqe n GLY 96 Ca -0.06 -0.76 -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 -3.04 2.12 -0.43 1.61 2.20 0.43 -5.10 119.74 117.55 2pqe s LYS 97 Ca 0.00 -1.22 -0.17 0.00 -0.36 0.00 0.00 55.97 54.22 2pqe s LYS 97 Cb 0.00 -2.20 0.02 0.00 -1.51 0.00 0.00 37.83 34.14 2pqe s LYS 97 CO 0.00 0.44 0.43 -1.64 -0.36 0.00 0.00 175.35 174.22 2pqe s MET 98 N -2.81 3.08 -0.05 4.03 -1.94 -1.26 -1.59 119.30 118.76 2pqe s MET 98 Ca 0.25 -0.81 -0.26 0.00 -1.71 0.00 0.00 55.69 53.16 2pqe s MET 98 Cb -0.09 -3.98 -0.22 0.00 2.01 0.00 0.00 34.83 32.55 2pqe s MET 98 CO 0.16 -0.86 1.11 0.28 -0.01 0.00 0.00 175.02 175.69 2pqe h VAL 99 N 5.73 1.52 -0.68 -6.03 2.07 -1.86 -1.64 116.25 115.35 2pqe h VAL 99 Ca -0.27 -1.59 0.14 0.00 0.82 0.00 0.00 66.70 65.80 2pqe h VAL 99 Cb 1.11 2.56 -0.13 0.00 -1.52 0.00 0.00 31.29 33.31 2pqe h VAL 99 CO 0.80 0.42 -0.17 -0.55 0.02 0.00 0.00 177.57 178.08 2pqe h ASN 100 N -0.58 -0.65 -0.03 0.57 7.08 -1.93 0.49 115.58 120.52 2pqe h ASN 100 Ca -0.00 0.21 -0.18 0.00 -3.08 0.00 0.00 56.30 53.25 2pqe h ASN 100 Cb 0.72 0.43 0.01 0.00 -2.08 0.00 0.00 38.32 37.40 2pqe h ASN 100 CO 0.01 -0.23 -0.66 1.05 -2.08 0.00 0.00 177.43 175.52 2pqe h GLU 101 N -0.00 0.51 -0.89 4.14 4.11 -1.93 -2.76 114.58 117.75 2pqe h GLU 101 Ca 0.33 -0.50 0.07 0.00 0.07 0.00 0.00 59.36 59.33 2pqe h GLU 101 Cb 0.50 0.13 -0.06 0.00 0.50 0.00 0.00 28.75 29.82 2pqe h GLU 101 CO -0.70 1.14 0.58 0.00 0.07 0.00 0.00 179.01 180.09 2pqe h ALA 102 N 0.38 1.55 0.13 1.06 0.00 -0.33 0.79 119.26 122.84 2pqe h ALA 102 Ca -0.07 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 2pqe h ALA 102 Cb 1.34 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.89 2pqe h ALA 102 CO 0.13 0.30 -0.06 -0.07 0.00 0.00 0.00 179.25 179.55 2pqe h LEU 103 N 0.98 -0.14 -0.03 0.00 3.38 -0.10 -2.04 115.31 117.35 2pqe h LEU 103 Ca 0.39 -0.35 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 2pqe h LEU 103 Cb 0.25 0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.04 2pqe h LEU 103 CO -0.15 0.31 0.01 0.58 0.09 0.00 0.00 178.44 179.28 2pqe h VAL 104 N -0.64 1.20 -0.40 1.22 2.07 -1.17 0.97 116.25 119.49 2pqe h VAL 104 Ca -0.02 -0.59 0.08 0.00 0.82 0.00 0.00 66.70 66.99 2pqe h VAL 104 Cb 0.49 1.53 -0.02 0.00 -1.52 0.00 0.00 31.29 31.77 2pqe h VAL 104 CO 0.03 0.16 0.27 0.08 0.02 0.00 0.00 177.57 178.13 2pqe h ARG 105 N -0.18 0.21 0.00 1.57 -0.00 0.49 -0.90 114.38 115.56 2pqe h ARG 105 Ca 0.01 -0.01 -0.21 0.00 -0.00 0.00 0.00 59.98 59.77 2pqe h ARG 105 Cb 0.25 -0.05 -0.03 0.00 -0.00 0.00 0.00 29.97 30.14 2pqe h ARG 105 CO 0.00 0.14 -1.25 1.96 -0.00 0.00 0.00 179.97 180.81 2pqe h GLN 106 N 0.21 0.00 0.00 0.08 1.08 -1.11 -3.44 115.11 111.93 2pqe h GLN 106 Ca 0.18 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.38 2pqe h GLN 106 Cb 0.45 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.88 2pqe h GLN 106 CO -0.03 0.57 0.00 0.41 -0.95 0.00 0.00 178.83 178.83 2pqe n GLY 107 N 1.41 0.81 0.00 3.46 0.00 0.10 -4.39 105.19 106.59 2pqe n GLY 107 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 -4.26 0.99 7.99 0.30 -1.64 117.00 120.38 2pqe n LEU 108 Ca 0.00 0.00 -0.17 0.00 -0.01 0.00 0.00 56.01 55.83 2pqe n LEU 108 Cb 0.00 0.00 -0.11 0.00 -0.11 0.00 0.00 43.42 43.20 2pqe n LEU 108 CO 0.00 0.00 -0.44 0.00 -1.51 0.00 0.00 177.39 175.44 2pqe s ALA 109 N -1.92 1.57 0.19 -1.18 0.00 -1.14 -4.31 121.76 114.97 2pqe s ALA 109 Ca 0.00 -1.40 0.11 0.00 0.00 0.00 0.00 51.96 50.67 2pqe s ALA 109 Cb 0.00 -0.05 -0.04 0.00 0.00 0.00 0.00 23.12 23.03 2pqe s ALA 109 CO 0.00 0.05 -0.20 -1.59 0.00 0.00 0.00 175.76 174.02 2pqe s LYS 110 N -3.08 1.68 -0.49 0.00 0.00 -0.17 -3.67 119.74 114.02 2pqe s LYS 110 Ca 0.13 -1.45 -0.28 0.00 0.00 0.00 0.00 55.97 54.37 2pqe s LYS 110 Cb -0.02 -1.94 0.01 0.00 0.00 0.00 0.00 37.83 35.87 2pqe s LYS 110 CO 0.03 0.41 1.46 0.08 0.00 0.00 0.00 175.35 177.33 2pqe s VAL 111 N -1.68 3.79 0.00 1.79 1.01 -1.26 0.11 120.40 124.16 2pqe s VAL 111 Ca 0.22 0.74 0.00 0.00 0.00 0.00 0.00 61.98 62.94 2pqe s VAL 111 Cb -0.08 -4.26 0.00 0.00 0.00 0.00 0.00 36.38 32.04 2pqe s VAL 111 CO 0.11 -0.94 0.00 0.00 0.00 0.00 0.00 175.10 174.28 2pqe n ALA 112 N 9.49 0.00 -3.43 5.51 0.00 -0.73 -4.88 120.51 126.48 2pqe n ALA 112 Ca 0.15 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.43 2pqe n ALA 112 Cb 0.49 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.83 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 -0.54 -0.44 -0.08 0.00 2.02 -1.26 -4.80 117.35 112.25 2pqe s TYR 113 Ca 0.00 0.09 -0.04 0.00 -0.37 0.00 0.00 57.07 56.75 2pqe s TYR 113 Cb 0.00 -0.37 -0.01 0.00 -0.40 0.00 0.00 41.96 41.18 2pqe s TYR 113 CO 0.00 -0.78 -0.09 0.28 -1.57 0.00 0.00 175.55 173.39 2pqe h VAL 114 N 6.27 0.00 -4.88 0.71 2.07 -1.97 -3.51 116.25 114.94 2pqe h VAL 114 Ca -0.16 -0.58 0.00 0.00 0.82 0.00 0.00 66.70 66.78 2pqe h VAL 114 Cb 1.11 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.88 2pqe h VAL 114 CO 0.31 0.00 -0.81 -1.22 0.02 0.00 0.00 177.57 175.87 2pqe n TYR 115 N -3.63 -3.45 0.00 1.57 4.02 -1.26 -4.94 117.16 109.47 2pqe n TYR 115 Ca -0.03 1.51 0.00 0.00 -0.01 0.00 0.00 57.90 59.37 2pqe n TYR 115 Cb 0.13 -3.72 0.00 0.00 -0.02 0.00 0.00 39.34 35.73 2pqe n TYR 115 CO 0.00 0.00 0.00 0.36 -1.01 0.00 0.00 176.86 176.21 2pqe n LYS 116 N 0.48 0.00 0.00 -0.72 2.85 -1.26 -5.00 118.16 114.51 2pqe n LYS 116 Ca 0.02 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.28 2pqe n LYS 116 Cb 0.06 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.44 2pqe n LYS 116 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2pqe n GLY 117 N 0.00 0.14 3.57 2.58 0.00 -1.26 -4.87 105.19 105.36 2pqe n GLY 117 Ca 0.00 -0.08 -0.41 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.99 6.54 -0.29 1.61 2.47 -1.26 -3.87 114.94 119.15 2pqe s ASN 118 Ca 0.00 -1.96 0.19 0.00 0.42 0.00 0.00 52.86 51.51 2pqe s ASN 118 Cb 0.00 -2.58 0.48 0.00 -1.45 0.00 0.00 41.25 37.70 2pqe s ASN 118 CO 0.00 -1.47 1.18 -3.20 -3.72 0.00 0.00 177.10 169.89 2pqe n ASN 119 N 9.15 0.78 -0.11 -4.21 4.05 -1.26 -4.59 115.26 119.05 2pqe n ASN 119 Ca 0.42 -2.21 -0.22 0.00 0.45 0.00 0.00 54.58 53.02 2pqe n ASN 119 Cb 0.48 -0.18 -0.12 0.00 1.23 0.00 0.00 39.78 41.19 2pqe n ASN 119 CO 0.00 0.00 0.00 0.41 -3.05 0.00 0.00 177.26 174.62 2pqe n THR 120 N -0.68 1.54 0.46 -0.44 -1.04 -1.26 -4.36 114.28 108.51 2pqe n THR 120 Ca 0.02 -0.49 0.06 0.00 -2.04 0.00 0.00 64.05 61.61 2pqe n THR 120 Cb 0.82 -1.65 0.20 0.00 -1.82 0.00 0.00 70.33 67.88 2pqe n THR 120 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 2pqe n HIS 121 N -3.68 0.73 0.22 -1.42 8.25 -1.26 -4.24 115.22 113.81 2pqe n HIS 121 Ca -0.46 -0.32 0.14 0.00 -0.26 0.00 0.00 57.72 56.82 2pqe n HIS 121 Cb 0.94 -0.08 0.74 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 2.45 0.00 0.03 -0.41 4.81 -1.91 -1.92 114.58 117.62 2pqe h GLU 122 Ca 0.00 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.19 2pqe h GLU 122 Cb 0.76 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.15 2pqe h GLU 122 CO 0.07 0.00 -0.18 -0.56 -0.73 0.00 0.00 179.01 177.61 2pqe h GLN 123 N 0.00 0.08 -0.14 1.92 3.07 -1.91 -2.56 115.11 115.57 2pqe h GLN 123 Ca 0.00 -0.12 -0.13 0.00 0.09 0.00 0.00 58.65 58.49 2pqe h GLN 123 Cb 0.02 0.04 -0.01 0.00 0.08 0.00 0.00 27.48 27.61 2pqe h GLN 123 CO 0.00 1.01 -0.47 1.37 0.09 0.00 0.00 178.83 180.83 2pqe h LEU 124 N -0.80 0.39 -0.15 0.06 8.10 -1.77 -2.25 115.31 118.90 2pqe h LEU 124 Ca -0.03 -0.19 -0.05 0.00 0.11 0.00 0.00 57.88 57.72 2pqe h LEU 124 Cb 1.09 -0.11 -0.00 0.00 -0.44 0.00 0.00 40.66 41.20 2pqe h LEU 124 CO 0.03 0.81 -0.11 -0.07 -4.11 0.00 0.00 178.44 175.00 2pqe h LEU 125 N 0.30 0.36 -1.46 0.17 3.38 -1.48 -2.26 115.31 114.31 2pqe h LEU 125 Ca 0.02 -0.45 -0.05 0.00 0.09 0.00 0.00 57.88 57.49 2pqe h LEU 125 Cb 0.94 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.58 2pqe h LEU 125 CO 0.08 0.73 -0.17 -0.09 0.09 0.00 0.00 178.44 179.07 2pqe h ARG 126 N -0.01 0.14 0.04 1.13 9.65 -1.44 -1.40 114.38 122.50 2pqe h ARG 126 Ca 0.03 -0.03 -0.00 0.00 -1.10 0.00 0.00 59.98 58.87 2pqe h ARG 126 Cb 0.61 -0.02 0.00 0.00 -1.39 0.00 0.00 29.97 29.17 2pqe h ARG 126 CO 0.03 0.32 -0.02 0.87 2.80 0.00 0.00 179.97 183.96 2pqe h LYS 127 N 0.13 -0.06 -0.11 0.20 6.56 -1.31 -1.03 116.57 120.96 2pqe h LYS 127 Ca 0.03 0.00 -0.05 0.00 -1.06 0.00 0.00 60.65 59.57 2pqe h LYS 127 Cb 0.39 0.01 -0.01 0.00 -0.57 0.00 0.00 32.23 32.05 2pqe h LYS 127 CO 0.03 0.38 -0.14 0.66 -2.06 0.00 0.00 179.45 178.31 2pqe h SER 128 N -0.51 0.17 0.33 0.86 4.64 -1.26 -1.74 113.55 116.03 2pqe h SER 128 Ca -0.01 -0.03 -0.02 0.00 -0.47 0.00 0.00 61.79 61.27 2pqe h SER 128 Cb 0.46 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.51 2pqe h SER 128 CO 0.01 0.33 -0.16 -0.08 -0.87 0.00 0.00 176.83 176.06 2pqe h GLU 129 N 0.17 -0.43 -0.38 4.77 4.81 -1.21 -2.15 114.58 120.16 2pqe h GLU 129 Ca 0.03 0.03 0.11 0.00 -0.13 0.00 0.00 59.36 59.40 2pqe h GLU 129 Cb 0.36 0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.82 2pqe h GLU 129 CO 0.02 -0.14 0.27 0.00 -0.73 0.00 0.00 179.01 178.44 2pqe h ALA 130 N -0.76 2.34 -0.08 2.92 0.00 -1.14 0.72 119.26 123.27 2pqe h ALA 130 Ca -0.05 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.76 2pqe h ALA 130 Cb 0.48 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2pqe h ALA 130 CO 0.07 -0.47 -0.31 1.96 0.00 0.00 0.00 179.25 180.51 2pqe h GLN 131 N 0.00 0.35 0.01 0.00 1.08 -1.33 -2.14 115.11 113.08 2pqe h GLN 131 Ca 0.18 -0.27 -0.21 0.00 -1.45 0.00 0.00 58.65 56.90 2pqe h GLN 131 Cb 0.72 0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 28.20 2pqe h GLN 131 CO -0.00 0.90 -0.91 0.00 -0.95 0.00 0.00 178.83 177.87 2pqe h ALA 132 N 0.45 0.46 0.06 3.87 0.00 -0.63 -2.15 119.26 121.32 2pqe h ALA 132 Ca -0.02 -0.73 -0.00 0.00 0.00 0.00 0.00 54.91 54.16 2pqe h ALA 132 Cb 0.95 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.68 2pqe h ALA 132 CO 0.06 0.90 -0.03 -0.22 0.00 0.00 0.00 179.25 179.97 2pqe h LYS 133 N 0.13 -0.08 -0.12 0.00 3.11 0.35 0.87 116.57 120.84 2pqe h LYS 133 Ca -0.06 0.01 -0.10 0.00 -2.81 0.00 0.00 60.65 57.69 2pqe h LYS 133 Cb 1.55 0.02 -0.01 0.00 -1.00 0.00 0.00 32.23 32.79 2pqe h LYS 133 CO 0.14 0.25 -0.38 0.87 -2.81 0.00 0.00 179.45 177.53 2pqe h LYS 134 N -0.43 0.24 0.00 1.90 6.56 -1.48 -2.71 116.57 120.65 2pqe h LYS 134 Ca -0.01 -0.11 -0.02 0.00 -1.06 0.00 0.00 60.65 59.46 2pqe h LYS 134 Cb 0.38 -0.01 -0.00 0.00 -0.57 0.00 0.00 32.23 32.03 2pqe h LYS 134 CO 0.01 0.59 -0.39 0.93 -2.06 0.00 0.00 179.45 178.54 2pqe h GLU 135 N 0.21 0.00 -5.39 3.15 5.08 -1.32 -3.49 114.58 112.82 2pqe h GLU 135 Ca 0.02 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.35 2pqe h GLU 135 Cb 0.77 0.00 0.03 0.00 0.50 0.00 0.00 28.75 30.04 2pqe h GLU 135 CO 0.06 0.06 -0.13 1.63 -1.00 0.00 0.00 179.01 179.63 2pqe n LYS 136 N -2.98 -1.45 0.00 2.33 4.76 0.30 -5.01 118.16 116.10 2pqe n LYS 136 Ca 0.02 1.41 0.00 0.00 -2.87 0.00 0.00 58.31 56.87 2pqe n LYS 136 Cb 0.57 -5.77 0.00 0.00 -1.84 0.00 0.00 35.03 27.99 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 -1.98 2.18 0.00 -0.35 4.77 -0.87 -4.58 117.00 116.18 2pqe n LEU 137 Ca -0.01 0.13 0.00 0.00 -0.03 0.00 0.00 56.01 56.10 2pqe n LEU 137 Cb 0.52 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 2pqe n LEU 137 CO 0.54 0.00 0.00 0.59 -1.33 0.00 0.00 177.39 177.19 2pqe n ASN 138 N -0.49 0.00 -0.29 -1.43 4.13 -1.26 -4.63 115.26 111.29 2pqe n ASN 138 Ca 0.00 0.00 0.06 0.00 1.68 0.00 0.00 54.58 56.32 2pqe n ASN 138 Cb 0.00 0.00 0.20 0.00 -1.54 0.00 0.00 39.78 38.44 2pqe n ASN 138 CO 0.00 0.00 0.00 0.16 0.28 0.00 0.00 177.26 177.70 2pqe h ILE 139 N 0.00 0.79 0.00 2.41 3.07 -1.59 0.13 117.51 122.32 2pqe h ILE 139 Ca 0.00 -0.23 0.00 0.00 1.55 0.00 0.00 64.86 66.18 2pqe h ILE 139 Cb 0.00 0.05 0.00 0.00 -0.27 0.00 0.00 36.82 36.60 2pqe h ILE 139 CO 0.00 0.12 0.00 0.79 -1.05 0.00 0.00 178.15 178.01 2pqe n TRP 140 N -4.82 0.91 -0.36 0.16 5.03 -1.26 -3.21 117.44 113.89 2pqe n TRP 140 Ca 0.16 0.27 -0.02 0.00 3.03 0.00 0.00 57.50 60.93 2pqe n TRP 140 Cb 0.38 -0.94 0.23 0.00 -1.03 0.00 0.00 31.31 29.94 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 -2.25 3.99 -2.68 -0.99 3.41 0.43 -4.17 113.62 111.36 2pqe n SER 141 Ca 0.05 -2.78 -0.05 0.00 -0.26 0.00 0.00 58.87 55.83 2pqe n SER 141 Cb 0.42 -0.66 0.05 0.00 -0.26 0.00 0.00 64.21 63.76 2pqe n SER 141 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 2pqe n GLU 142 N 0.08 0.61 0.02 4.33 2.13 -1.15 -4.93 120.64 121.73 2pqe n GLU 142 Ca 0.26 -1.20 -0.02 0.00 0.66 0.00 0.00 57.16 56.87 2pqe n GLU 142 Cb 1.03 -0.09 -0.01 0.00 0.27 0.00 0.00 31.44 32.64 2pqe n GLU 142 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 2pqe n ASP 143 N -0.42 0.85 -4.79 4.31 -0.08 -1.25 -4.53 116.55 110.65 2pqe n ASP 143 Ca -0.15 0.12 -0.30 0.00 -1.51 0.00 0.00 54.79 52.94 2pqe n ASP 143 Cb 0.73 -0.28 0.09 0.00 2.34 0.00 0.00 41.12 44.00 2pqe n ASP 143 CO 0.00 0.00 0.00 0.20 0.12 0.00 0.00 177.20 177.52 2pqe s ASN 144 N -5.73 4.61 -0.55 1.67 0.01 -1.26 -5.03 114.94 108.66 2pqe s ASN 144 Ca -0.04 1.54 0.02 0.00 -0.71 0.00 0.00 52.86 53.67 2pqe s ASN 144 Cb 0.01 -2.30 0.14 0.00 0.41 0.00 0.00 41.25 39.50 2pqe s ASN 144 CO 0.05 -1.93 0.31 0.00 -1.51 0.00 0.00 177.10 174.03 2pqe s ALA 145 N -3.03 3.39 0.80 0.60 0.00 -1.26 -5.10 121.76 117.16 2pqe s ALA 145 Ca 0.60 -3.23 -0.12 0.00 0.00 0.00 0.00 51.96 49.21 2pqe s ALA 145 Cb -0.15 -2.33 0.07 0.00 0.00 0.00 0.00 23.12 20.71 2pqe s ALA 145 CO 0.55 -2.03 1.10 -0.51 0.00 0.00 0.00 175.76 174.87 2pqe s ASP 146 N 0.12 4.44 0.41 0.00 1.11 -1.26 -5.05 116.67 116.44 2pqe s ASP 146 Ca 0.17 1.28 -0.11 0.00 0.18 0.00 0.00 52.55 54.07 2pqe s ASP 146 Cb -0.24 -2.01 -0.06 0.00 1.07 0.00 0.00 42.92 41.68 2pqe s ASP 146 CO -0.02 -2.00 0.78 -0.94 1.18 0.00 0.00 175.17 174.17 2pqe s SER 147 N -3.92 6.53 0.28 0.27 1.04 -1.26 -4.98 113.70 111.67 2pqe s SER 147 Ca 0.61 1.16 0.00 0.00 0.48 0.00 0.00 55.95 58.20 2pqe s SER 147 Cb -0.14 -2.33 0.00 0.00 0.10 0.00 0.00 66.02 63.64 2pqe s SER 147 CO 0.54 -0.41 0.00 0.61 0.98 0.00 0.00 173.24 174.96 2pqe n GLY 148 N -1.30 -1.14 0.00 7.32 0.00 -1.26 -5.33 105.19 103.47 2pqe n GLY 148 Ca 0.03 0.22 0.07 0.00 0.00 0.00 0.00 46.02 46.34 2pqe n GLY 148 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14