#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 3.42 0.22 0.00 -4.23 -1.26 -5.06 115.64 108.73 2pqe s THR 2 Ca 0.00 0.86 0.01 0.00 -1.18 0.00 0.00 61.69 61.38 2pqe s THR 2 Cb 0.00 -3.34 -0.05 0.00 1.34 0.00 0.00 72.50 70.45 2pqe s THR 2 CO 0.00 -0.21 0.08 -0.44 -0.54 0.00 0.00 174.62 173.51 2pqe s SER 3 N -1.94 0.99 0.03 3.99 0.01 -1.26 -5.17 113.70 110.34 2pqe s SER 3 Ca 0.70 -1.33 -0.28 0.00 1.31 0.00 0.00 55.95 56.35 2pqe s SER 3 Cb -0.21 0.19 0.08 0.00 0.21 0.00 0.00 66.02 66.30 2pqe s SER 3 CO 0.26 -0.71 0.70 -0.89 0.41 0.00 0.00 173.24 173.01 2pqe s THR 4 N -3.81 0.00 -0.29 1.44 2.01 -1.26 -5.14 115.64 108.59 2pqe s THR 4 Ca 0.34 0.00 -0.18 0.00 0.31 0.00 0.00 61.69 62.17 2pqe s THR 4 Cb 0.07 -1.00 -0.02 0.00 0.01 0.00 0.00 72.50 71.56 2pqe s THR 4 CO 0.11 0.00 0.50 -0.54 -0.69 0.00 0.00 174.62 174.00 2pqe s LYS 5 N -2.42 3.94 -0.33 4.92 1.02 -1.26 -5.04 119.74 120.57 2pqe s LYS 5 Ca -0.04 0.16 -0.21 0.00 0.02 0.00 0.00 55.97 55.91 2pqe s LYS 5 Cb -0.01 -3.70 -0.00 0.00 -0.52 0.00 0.00 37.83 33.61 2pqe s LYS 5 CO -0.02 -0.43 0.66 0.15 -0.92 0.00 0.00 175.35 174.79 2pqe s LYS 6 N 2.32 3.79 -0.33 1.68 1.02 -1.26 -5.03 119.74 121.94 2pqe s LYS 6 Ca 0.20 0.21 -0.01 0.00 0.02 0.00 0.00 55.97 56.39 2pqe s LYS 6 Cb -0.16 -3.77 0.07 0.00 -0.52 0.00 0.00 37.83 33.45 2pqe s LYS 6 CO 0.10 -0.68 0.04 -0.51 -0.92 0.00 0.00 175.35 173.39 2pqe s LEU 7 N 2.72 4.24 0.18 3.17 2.01 -1.26 -5.09 118.68 124.65 2pqe s LEU 7 Ca 0.26 -1.52 0.10 0.00 0.01 0.00 0.00 54.13 52.97 2pqe s LEU 7 Cb -0.14 -1.72 -0.04 0.00 0.01 0.00 0.00 46.19 44.29 2pqe s LEU 7 CO 0.14 -0.33 -0.20 -1.38 1.01 0.00 0.00 176.35 175.58 2pqe s HIS 8 N 1.19 2.01 0.70 0.29 -3.43 -1.26 -5.14 115.29 109.66 2pqe s HIS 8 Ca -0.01 -0.42 -0.12 0.00 -0.80 0.00 0.00 55.06 53.71 2pqe s HIS 8 Cb -0.20 -0.99 0.02 0.00 -1.43 0.00 0.00 32.58 29.97 2pqe s HIS 8 CO -0.03 0.41 1.07 -1.59 -2.00 0.00 0.00 174.74 172.60 2pqe s LYS 9 N -2.78 2.78 -0.30 -0.38 0.00 -1.26 -4.80 119.74 113.00 2pqe s LYS 9 Ca 0.18 1.07 -0.18 0.00 0.00 0.00 0.00 55.97 57.04 2pqe s LYS 9 Cb -0.06 -1.97 0.19 0.00 0.00 0.00 0.00 37.83 35.99 2pqe s LYS 9 CO 0.08 -1.23 1.25 -2.00 0.00 0.00 0.00 175.35 173.45 2pqe s GLU 10 N -4.83 0.11 0.00 1.78 2.56 0.07 -4.76 118.70 113.63 2pqe s GLU 10 Ca 0.60 0.18 0.00 0.00 0.00 0.00 0.00 54.97 55.75 2pqe s GLU 10 Cb -0.15 0.03 0.00 0.00 2.00 0.00 0.00 34.13 36.01 2pqe s GLU 10 CO 0.52 -0.02 0.00 0.00 -0.56 0.00 0.00 175.26 175.20 2pqe n ALA 11 N 2.85 0.38 0.00 6.30 0.00 -1.25 -2.33 120.51 126.46 2pqe n ALA 11 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.28 2pqe n ALA 11 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.02 2pqe n ALA 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2pqe n ALA 12 N -3.00 0.00 -3.47 0.00 0.00 -1.01 -4.26 120.51 108.77 2pqe n ALA 12 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.28 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 0.22 0.00 2.01 -1.05 -4.25 115.64 112.58 2pqe s THR 13 Ca 0.00 -0.09 -0.14 0.00 0.31 0.00 0.00 61.69 61.76 2pqe s THR 13 Cb 0.00 -0.90 -0.08 0.00 0.01 0.00 0.00 72.50 71.53 2pqe s THR 13 CO 0.00 -0.05 0.62 -1.48 -0.69 0.00 0.00 174.62 173.02 2pqe s LEU 14 N -0.94 4.24 -0.26 4.42 0.05 -1.26 0.18 118.68 125.10 2pqe s LEU 14 Ca -0.10 1.15 -0.13 0.00 0.05 0.00 0.00 54.13 55.11 2pqe s LEU 14 Cb -0.02 -3.60 -0.14 0.00 -2.05 0.00 0.00 46.19 40.38 2pqe s LEU 14 CO 0.07 -0.02 -0.24 -0.38 -0.55 0.00 0.00 176.35 175.24 2pqe n ILE 15 N 0.31 1.53 -3.65 1.48 -0.00 0.30 -4.79 119.36 114.55 2pqe n ILE 15 Ca -0.01 -0.37 0.02 0.00 -0.00 0.00 0.00 62.75 62.39 2pqe n ILE 15 Cb 0.52 -1.84 -0.06 0.00 -0.00 0.00 0.00 39.64 38.26 2pqe n ILE 15 CO 0.00 0.00 0.00 -0.54 -0.00 0.00 0.00 176.55 176.01 2pqe s LYS 16 N -2.49 0.03 0.29 0.38 -0.14 -1.04 -5.00 119.74 111.77 2pqe s LYS 16 Ca -0.36 0.05 -0.28 0.00 -1.36 0.00 0.00 55.97 54.01 2pqe s LYS 16 Cb 0.13 0.01 -0.09 0.00 -1.68 0.00 0.00 37.83 36.19 2pqe s LYS 16 CO 0.53 -0.01 1.02 0.00 -0.76 0.00 0.00 175.35 176.13 2pqe s ALA 17 N 0.93 3.31 -0.09 5.17 0.00 -1.26 -1.04 121.76 128.78 2pqe s ALA 17 Ca -0.07 0.72 -0.10 0.00 0.00 0.00 0.00 51.96 52.52 2pqe s ALA 17 Cb -0.02 -3.26 -0.03 0.00 0.00 0.00 0.00 23.12 19.80 2pqe s ALA 17 CO -0.10 0.00 -0.19 -0.89 0.00 0.00 0.00 175.76 174.58 2pqe n ILE 18 N 1.00 0.88 -2.83 0.00 5.41 0.36 -4.91 119.36 119.27 2pqe n ILE 18 Ca -0.00 0.28 -0.12 0.00 1.00 0.00 0.00 62.75 63.92 2pqe n ILE 18 Cb 0.47 -1.95 0.02 0.00 -0.71 0.00 0.00 39.64 37.47 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 -3.62 0.75 0.00 4.38 8.00 -0.26 -4.94 116.55 120.86 2pqe n ASP 19 Ca -0.08 -2.83 0.00 0.00 0.71 0.00 0.00 54.79 52.59 2pqe n ASP 19 Cb 0.28 -0.29 0.00 0.00 -0.02 0.00 0.00 41.12 41.09 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 0.02 0.49 0.11 0.44 0.00 -1.25 -3.54 105.19 101.46 2pqe n GLY 20 Ca 0.13 -0.01 0.14 0.00 0.00 0.00 0.00 46.02 46.28 2pqe n GLY 20 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2pqe n ASP 21 N 1.39 0.45 -3.87 1.61 5.68 -1.25 -4.60 116.55 115.95 2pqe n ASP 21 Ca 0.00 -0.54 -0.30 0.00 -0.50 0.00 0.00 54.79 53.45 2pqe n ASP 21 Cb 0.00 -0.08 -0.15 0.00 -1.14 0.00 0.00 41.12 39.74 2pqe n ASP 21 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 2pqe s THR 22 N -2.49 1.35 -0.01 2.12 2.01 -1.23 -1.21 115.64 116.18 2pqe s THR 22 Ca 0.28 -1.36 -0.01 0.00 0.31 0.00 0.00 61.69 60.91 2pqe s THR 22 Cb 0.20 -1.80 -0.00 0.00 0.01 0.00 0.00 72.50 70.90 2pqe s THR 22 CO 0.48 -0.34 0.03 0.54 -0.69 0.00 0.00 174.62 174.64 2pqe s VAL 23 N 1.43 0.03 -0.45 3.82 0.11 0.49 0.14 120.40 125.97 2pqe s VAL 23 Ca 0.01 -0.22 -0.25 0.00 -2.93 0.00 0.00 61.98 58.59 2pqe s VAL 23 Cb -0.18 -0.12 0.03 0.00 -1.53 0.00 0.00 36.38 34.58 2pqe s VAL 23 CO -0.12 -0.12 0.92 -0.54 -3.33 0.00 0.00 175.10 171.92 2pqe s LYS 24 N -0.36 3.58 -0.09 1.54 1.02 -0.20 0.12 119.74 125.35 2pqe s LYS 24 Ca -0.04 0.23 0.01 0.00 0.02 0.00 0.00 55.97 56.18 2pqe s LYS 24 Cb -0.03 -3.91 -0.03 0.00 -0.52 0.00 0.00 37.83 33.35 2pqe s LYS 24 CO -0.00 -1.18 -0.10 -1.17 -0.92 0.00 0.00 175.35 171.98 2pqe s LEU 25 N 3.71 2.98 -0.56 3.17 0.20 0.95 0.11 118.68 129.24 2pqe s LEU 25 Ca 0.37 -0.14 -0.24 0.00 0.69 0.00 0.00 54.13 54.80 2pqe s LEU 25 Cb -0.10 -1.65 0.04 0.00 -0.43 0.00 0.00 46.19 44.04 2pqe s LEU 25 CO 0.25 0.29 0.97 -0.32 -0.29 0.00 0.00 176.35 177.25 2pqe s MET 26 N -0.39 3.34 0.00 1.98 1.75 0.47 -1.08 119.30 125.38 2pqe s MET 26 Ca 0.05 -0.24 0.03 0.00 -1.25 0.00 0.00 55.69 54.28 2pqe s MET 26 Cb -0.12 -4.06 -0.03 0.00 2.84 0.00 0.00 34.83 33.46 2pqe s MET 26 CO 0.02 -1.52 -0.05 -0.47 -0.65 0.00 0.00 175.02 172.36 2pqe s TYR 27 N 4.05 2.94 -0.45 4.11 6.14 0.21 -2.53 117.35 131.80 2pqe s TYR 27 Ca 0.31 -0.00 0.00 0.00 0.64 0.00 0.00 57.07 58.02 2pqe s TYR 27 Cb -0.12 -1.63 0.00 0.00 0.42 0.00 0.00 41.96 40.63 2pqe s TYR 27 CO 0.19 0.40 0.00 0.36 0.64 0.00 0.00 175.55 177.14 2pqe n LYS 28 N 1.52 -2.34 -0.67 4.97 2.85 -1.26 0.12 118.16 123.35 2pqe n LYS 28 Ca -0.15 0.26 0.00 0.00 -1.05 0.00 0.00 58.31 57.36 2pqe n LYS 28 Cb 0.53 -4.70 0.00 0.00 -0.65 0.00 0.00 35.03 30.21 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 0.60 2.89 2.58 0.00 -1.26 -5.06 105.19 104.42 2pqe n GLY 29 Ca -0.06 -0.66 -0.17 0.00 0.00 0.00 0.00 46.02 45.13 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 -1.23 0.42 -0.49 1.61 -2.07 0.32 -5.11 119.66 113.11 2pqe s GLN 30 Ca 0.00 -0.06 -0.28 0.00 -1.82 0.00 0.00 55.36 53.20 2pqe s GLN 30 Cb 0.00 -0.48 0.03 0.00 -1.09 0.00 0.00 33.01 31.47 2pqe s GLN 30 CO 0.00 -0.02 1.08 0.00 -1.32 0.00 0.00 175.29 175.03 2pqe s ALA 31 N 0.50 3.16 0.16 2.60 0.00 -1.26 0.64 121.76 127.55 2pqe s ALA 31 Ca -0.05 -0.62 0.09 0.00 0.00 0.00 0.00 51.96 51.38 2pqe s ALA 31 Cb -0.09 -3.84 -0.04 0.00 0.00 0.00 0.00 23.12 19.15 2pqe s ALA 31 CO -0.01 -2.26 -0.21 0.00 0.00 0.00 0.00 175.76 173.28 2pqe s MET 32 N 4.32 1.31 -0.46 0.00 0.00 -0.24 -4.94 119.30 119.29 2pqe s MET 32 Ca 0.44 -1.38 -0.29 0.00 0.00 0.00 0.00 55.69 54.46 2pqe s MET 32 Cb -0.08 -1.52 0.03 0.00 0.00 0.00 0.00 34.83 33.26 2pqe s MET 32 CO 0.29 0.33 1.15 0.99 0.00 0.00 0.00 175.02 177.78 2pqe s THR 33 N -1.68 4.21 0.11 3.16 2.01 -1.26 -0.03 115.64 122.15 2pqe s THR 33 Ca 0.15 1.24 -0.05 0.00 0.31 0.00 0.00 61.69 63.34 2pqe s THR 33 Cb -0.08 -4.58 -0.05 0.00 0.01 0.00 0.00 72.50 67.81 2pqe s THR 33 CO 0.07 -0.97 0.35 -0.36 -0.69 0.00 0.00 174.62 173.02 2pqe s PHE 34 N 4.46 3.51 -0.02 4.92 0.40 0.32 0.65 117.98 132.21 2pqe s PHE 34 Ca 0.48 0.57 0.00 0.00 -0.60 0.00 0.00 56.93 57.38 2pqe s PHE 34 Cb -0.08 -2.01 0.02 0.00 0.51 0.00 0.00 43.02 41.47 2pqe s PHE 34 CO 0.31 0.48 0.01 1.03 0.70 0.00 0.00 175.22 177.75 2pqe s ARG 35 N -2.42 0.09 0.26 0.44 0.52 -0.77 -0.38 118.95 116.69 2pqe s ARG 35 Ca 0.38 0.11 -0.31 0.00 -0.52 0.00 0.00 55.73 55.38 2pqe s ARG 35 Cb -0.13 -0.28 -0.11 0.00 0.52 0.00 0.00 34.95 34.95 2pqe s ARG 35 CO 0.23 -0.12 1.64 -0.51 0.02 0.00 0.00 175.30 176.56 2pqe s LEU 36 N 0.82 4.35 -0.06 2.53 1.43 -0.35 -1.20 118.68 126.20 2pqe s LEU 36 Ca -0.07 2.91 -0.25 0.00 -1.03 0.00 0.00 54.13 55.69 2pqe s LEU 36 Cb -0.11 -3.62 -0.03 0.00 0.03 0.00 0.00 46.19 42.46 2pqe s LEU 36 CO -0.02 -0.93 0.76 -0.76 0.23 0.00 0.00 176.35 175.63 2pqe s LEU 37 N 0.14 4.32 -1.32 1.79 1.43 -1.06 -3.85 118.68 120.13 2pqe s LEU 37 Ca 0.67 1.28 -0.05 0.00 -1.03 0.00 0.00 54.13 55.01 2pqe s LEU 37 Cb -0.48 -3.19 0.01 0.00 0.03 0.00 0.00 46.19 42.55 2pqe s LEU 37 CO 0.42 -0.16 0.63 0.18 0.23 0.00 0.00 176.35 177.64 2pqe n LEU 38 N 3.91 -2.67 -3.93 1.79 4.77 -1.26 -4.85 117.00 114.76 2pqe n LEU 38 Ca 0.01 -0.29 -0.09 0.00 -0.03 0.00 0.00 56.01 55.60 2pqe n LEU 38 Cb 0.51 -2.66 -0.09 0.00 -2.33 0.00 0.00 43.42 38.85 2pqe n LEU 38 CO 0.48 0.27 -0.20 -0.69 -1.33 0.00 0.00 177.39 175.93 2pqe s VAL 39 N -3.13 0.14 -0.19 4.08 1.01 -1.25 -2.40 120.40 118.66 2pqe s VAL 39 Ca 0.31 -1.18 -0.05 0.00 0.00 0.00 0.00 61.98 61.06 2pqe s VAL 39 Cb -0.14 -1.07 0.07 0.00 0.00 0.00 0.00 36.38 35.25 2pqe s VAL 39 CO 0.38 -0.65 0.12 -0.62 0.00 0.00 0.00 175.10 174.33 2pqe s ASP 40 N -2.37 2.31 -0.60 3.32 -1.08 -0.09 -4.40 116.67 113.76 2pqe s ASP 40 Ca -0.01 -0.63 0.04 0.00 -0.52 0.00 0.00 52.55 51.43 2pqe s ASP 40 Cb 0.01 -0.14 0.35 0.00 -1.46 0.00 0.00 42.92 41.69 2pqe s ASP 40 CO -0.06 -0.36 1.09 0.41 0.52 0.00 0.00 175.17 176.76 2pqe n THR 41 N 5.28 3.24 0.00 1.71 -1.04 -1.26 -0.85 114.28 121.37 2pqe n THR 41 Ca -0.07 -5.47 0.00 0.00 -2.04 0.00 0.00 64.05 56.47 2pqe n THR 41 Cb 0.48 -1.38 0.00 0.00 -1.82 0.00 0.00 70.33 67.61 2pqe n THR 41 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2pqe n ALA 42 N -0.28 0.00 -2.13 2.41 0.00 -1.26 -3.86 120.51 115.39 2pqe n ALA 42 Ca 0.35 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.75 2pqe n ALA 42 Cb 0.43 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.88 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 -0.29 0.34 -2.25 0.00 4.07 -1.26 -5.02 120.64 116.22 2pqe n GLU 43 Ca 0.00 -0.68 -0.41 0.00 -0.06 0.00 0.00 57.16 56.01 2pqe n GLU 43 Cb 0.00 0.41 -0.01 0.00 -0.06 0.00 0.00 31.44 31.78 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 -0.39 3.42 -3.06 6.31 -2.24 -1.26 -4.67 114.28 112.39 2pqe n THR 44 Ca -0.15 -3.42 -0.19 0.00 -2.27 0.00 0.00 64.05 58.02 2pqe n THR 44 Cb 0.61 -2.37 -0.02 0.00 -2.10 0.00 0.00 70.33 66.45 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 7.84 1.46 -2.35 -0.78 -0.00 -1.26 -5.02 118.16 118.05 2pqe n LYS 45 Ca 0.49 -3.65 -0.02 0.00 -0.00 0.00 0.00 58.31 55.13 2pqe n LYS 45 Cb 0.44 -1.76 -0.02 0.00 -0.00 0.00 0.00 35.03 33.70 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 0.12 -3.16 -2.69 5.58 8.25 -1.26 -5.06 115.22 117.00 2pqe n HIS 46 Ca 0.24 1.62 -0.05 0.00 -0.26 0.00 0.00 57.72 59.28 2pqe n HIS 46 Cb 0.63 -3.34 0.06 0.00 1.12 0.00 0.00 29.99 28.46 2pqe n HIS 46 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 2pqe n THR 47 N 0.88 0.00 0.00 1.59 -2.24 -1.26 -4.95 114.28 108.29 2pqe n THR 47 Ca -0.15 -0.80 0.00 0.00 -2.27 0.00 0.00 64.05 60.83 2pqe n THR 47 Cb 0.24 1.08 0.00 0.00 -2.10 0.00 0.00 70.33 69.55 2pqe n THR 47 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 2pqe n LYS 48 N 1.86 0.00 0.00 -0.78 4.81 -1.26 -3.02 118.16 119.77 2pqe n LYS 48 Ca 0.06 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.50 2pqe n LYS 48 Cb 0.67 -0.04 0.00 0.00 0.02 0.00 0.00 35.03 35.68 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 0.00 0.00 0.00 1.64 2.85 -1.26 -4.97 118.16 116.42 2pqe n LYS 49 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 2pqe n LYS 49 Cb 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 2pqe n LYS 49 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2pqe n GLY 50 N 0.00 1.59 0.00 2.58 0.00 -1.17 -4.87 105.19 103.32 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 0.00 0.16 0.33 1.61 0.31 -1.26 -3.59 118.33 115.89 2pqe n VAL 51 Ca 0.00 -0.31 0.22 0.00 -0.01 0.00 0.00 64.34 64.24 2pqe n VAL 51 Cb 0.00 1.27 1.17 0.00 -0.91 0.00 0.00 33.84 35.38 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 0.00 0.00 -0.82 5.55 4.11 -1.95 -1.93 114.58 119.54 2pqe h GLU 52 Ca 0.00 0.00 -0.52 0.00 0.07 0.00 0.00 59.36 58.91 2pqe h GLU 52 Cb 0.44 0.00 -0.43 0.00 0.50 0.00 0.00 28.75 29.26 2pqe h GLU 52 CO 0.00 0.00 -0.84 0.36 0.07 0.00 0.00 179.01 178.60 2pqe n LYS 53 N -3.14 3.38 -3.61 1.06 0.00 -1.26 -4.93 118.16 109.66 2pqe n LYS 53 Ca -0.03 -4.14 -0.23 0.00 -0.00 0.00 0.00 58.31 53.91 2pqe n LYS 53 Cb 0.10 -2.20 0.07 0.00 -0.00 0.00 0.00 35.03 33.00 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 -0.66 -2.69 0.05 5.58 4.02 -0.73 -4.72 117.16 118.01 2pqe n TYR 54 Ca 0.39 0.99 -0.07 0.00 -0.01 0.00 0.00 57.90 59.21 2pqe n TYR 54 Cb 0.91 -4.91 -0.04 0.00 -0.02 0.00 0.00 39.34 35.27 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 -2.49 -0.23 0.87 2.72 0.00 -1.67 -2.94 103.07 99.34 2pqe h GLY 55 Ca -0.58 0.09 -0.01 0.00 0.00 0.00 0.00 47.33 46.83 2pqe h GLY 55 CO 0.56 -0.08 0.06 0.00 0.00 0.00 0.00 176.54 177.08 2pqe h ALA 56 N -0.76 0.24 -0.46 3.60 0.00 -1.85 -2.61 119.26 117.42 2pqe h ALA 56 Ca -0.02 -0.12 0.12 0.00 0.00 0.00 0.00 54.91 54.89 2pqe h ALA 56 Cb 0.36 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 2pqe h ALA 56 CO 0.04 -0.15 0.33 1.49 0.00 0.00 0.00 179.25 180.96 2pqe h GLU 57 N 0.13 0.07 -0.28 0.00 4.57 -1.93 -1.53 114.58 115.61 2pqe h GLU 57 Ca 0.06 -0.00 0.02 0.00 -1.18 0.00 0.00 59.36 58.25 2pqe h GLU 57 Cb 0.21 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 28.76 2pqe h GLU 57 CO -0.00 0.05 0.15 0.00 -1.18 0.00 0.00 179.01 178.02 2pqe h ALA 58 N 1.77 0.34 -0.24 2.92 0.00 -1.27 -1.93 119.26 120.85 2pqe h ALA 58 Ca 0.22 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 55.05 2pqe h ALA 58 Cb 0.78 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 2pqe h ALA 58 CO -0.02 -0.24 -0.21 1.03 0.00 0.00 0.00 179.25 179.82 2pqe h SER 59 N 0.31 0.43 -0.24 0.00 0.87 -1.30 -2.73 113.55 110.88 2pqe h SER 59 Ca 0.11 -0.13 -0.01 0.00 -1.23 0.00 0.00 61.79 60.54 2pqe h SER 59 Cb 0.02 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 61.86 2pqe h SER 59 CO -0.07 0.65 0.13 0.00 -0.53 0.00 0.00 176.83 177.00 2pqe h ALA 60 N 1.39 0.31 -0.49 6.23 0.00 -1.07 0.89 119.26 126.53 2pqe h ALA 60 Ca 0.06 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 2pqe h ALA 60 Cb 0.59 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 2pqe h ALA 60 CO 0.04 -0.15 0.22 0.35 0.00 0.00 0.00 179.25 179.71 2pqe h PHE 61 N 0.27 0.72 -0.04 0.00 3.57 -1.26 0.35 116.94 120.56 2pqe h PHE 61 Ca 0.08 -0.04 -0.17 0.00 3.53 0.00 0.00 57.97 61.37 2pqe h PHE 61 Cb 0.09 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 38.59 2pqe h PHE 61 CO -0.03 0.59 -0.74 1.15 -2.23 0.00 0.00 178.31 177.05 2pqe h THR 62 N 0.65 1.44 -0.15 4.41 2.02 -1.34 0.04 112.91 119.98 2pqe h THR 62 Ca 0.17 -2.29 -0.12 0.00 0.77 0.00 0.00 66.41 64.94 2pqe h THR 62 Cb 0.15 2.22 0.00 0.00 -1.74 0.00 0.00 68.15 68.79 2pqe h THR 62 CO -0.02 0.67 -0.37 0.50 0.37 0.00 0.00 175.52 176.67 2pqe h LYS 63 N 0.15 0.52 0.01 6.66 3.64 0.11 -1.79 116.57 125.87 2pqe h LYS 63 Ca -0.03 -0.36 -0.22 0.00 -1.27 0.00 0.00 60.65 58.78 2pqe h LYS 63 Cb 1.30 0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 33.17 2pqe h LYS 63 CO 0.11 0.97 -0.94 1.57 -2.27 0.00 0.00 179.45 178.89 2pqe h LYS 64 N 0.15 0.32 -0.22 1.90 5.09 -0.33 -0.96 116.57 122.50 2pqe h LYS 64 Ca -0.00 -0.36 -0.13 0.00 0.09 0.00 0.00 60.65 60.25 2pqe h LYS 64 Cb 0.98 0.11 -0.01 0.00 0.10 0.00 0.00 32.23 33.41 2pqe h LYS 64 CO 0.08 1.06 -0.41 1.98 -2.09 0.00 0.00 179.45 180.07 2pqe h MET 65 N 0.17 0.53 0.12 0.07 4.05 -1.03 0.46 114.93 119.29 2pqe h MET 65 Ca -0.07 -0.27 -0.19 0.00 -0.28 0.00 0.00 59.70 58.89 2pqe h MET 65 Cb 1.59 0.00 0.01 0.00 -0.80 0.00 0.00 31.60 32.40 2pqe h MET 65 CO 0.16 0.84 -0.91 -0.39 0.23 0.00 0.00 176.91 176.84 2pqe h VAL 66 N 0.44 1.39 -0.29 -5.77 -1.51 -1.35 -1.69 116.25 107.46 2pqe h VAL 66 Ca 0.04 -2.47 -0.11 0.00 -1.23 0.00 0.00 66.70 62.93 2pqe h VAL 66 Cb 0.90 3.06 -0.01 0.00 -2.13 0.00 0.00 31.29 33.10 2pqe h VAL 66 CO 0.08 0.69 -0.26 -0.33 -1.23 0.00 0.00 177.57 176.51 2pqe h GLU 67 N -0.44 0.58 0.00 5.19 4.39 -1.22 -3.00 114.58 120.08 2pqe h GLU 67 Ca -0.18 -0.23 -0.22 0.00 0.34 0.00 0.00 59.36 59.07 2pqe h GLU 67 Cb 1.60 -0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 30.19 2pqe h GLU 67 CO 0.10 0.79 -1.10 -0.97 -1.16 0.00 0.00 179.01 176.66 2pqe h ASN 68 N 0.51 0.00 -0.36 1.42 -0.73 -1.03 -3.33 115.58 112.06 2pqe h ASN 68 Ca 0.07 0.00 0.04 0.00 1.87 0.00 0.00 56.30 58.28 2pqe h ASN 68 Cb 0.72 0.00 -0.04 0.00 0.27 0.00 0.00 38.32 39.27 2pqe h ASN 68 CO 0.06 0.96 0.15 0.00 -0.37 0.00 0.00 177.43 178.22 2pqe h ALA 69 N 1.04 0.43 0.00 1.57 0.00 -1.16 -3.46 119.26 117.68 2pqe h ALA 69 Ca -0.06 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2pqe h ALA 69 Cb 1.79 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.57 2pqe h ALA 69 CO 0.12 -0.24 0.00 1.63 0.00 0.00 0.00 179.25 180.76 2pqe n LYS 70 N -4.98 0.00 -4.16 0.00 4.76 -1.17 -4.66 118.16 107.95 2pqe n LYS 70 Ca 0.01 0.00 -0.30 0.00 -2.87 0.00 0.00 58.31 55.15 2pqe n LYS 70 Cb 0.11 0.00 -0.16 0.00 -1.84 0.00 0.00 35.03 33.14 2pqe n LYS 70 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 2pqe s LYS 71 N 0.00 2.34 -0.05 1.97 2.20 -1.26 -4.89 119.74 120.05 2pqe s LYS 71 Ca 0.00 -0.58 0.06 0.00 -0.36 0.00 0.00 55.97 55.08 2pqe s LYS 71 Cb 0.00 -2.09 -0.01 0.00 -1.51 0.00 0.00 37.83 34.22 2pqe s LYS 71 CO 0.00 -0.18 -0.22 0.42 -0.36 0.00 0.00 175.35 175.00 2pqe s ILE 72 N 1.33 1.84 -0.01 5.43 1.09 -1.26 0.82 121.20 130.44 2pqe s ILE 72 Ca 0.02 -0.95 0.03 0.00 -1.10 0.00 0.00 60.65 58.65 2pqe s ILE 72 Cb -0.13 -1.57 -0.01 0.00 -1.06 0.00 0.00 42.46 39.70 2pqe s ILE 72 CO -0.08 0.52 -0.10 -1.61 -0.10 0.00 0.00 174.94 173.57 2pqe s GLU 73 N -0.10 0.84 0.11 2.79 2.02 0.11 -2.40 118.70 122.07 2pqe s GLU 73 Ca -0.04 -0.34 0.10 0.00 0.02 0.00 0.00 54.97 54.71 2pqe s GLU 73 Cb -0.13 -0.81 -0.04 0.00 0.10 0.00 0.00 34.13 33.26 2pqe s GLU 73 CO 0.03 0.19 -0.25 0.14 0.02 0.00 0.00 175.26 175.39 2pqe s VAL 74 N -0.13 2.06 -0.16 2.63 -7.23 -0.98 -0.11 120.40 116.47 2pqe s VAL 74 Ca 0.02 -1.62 -0.01 0.00 -1.81 0.00 0.00 61.98 58.56 2pqe s VAL 74 Cb -0.05 -1.82 0.04 0.00 0.56 0.00 0.00 36.38 35.11 2pqe s VAL 74 CO -0.00 0.09 -0.06 -0.70 -0.31 0.00 0.00 175.10 174.12 2pqe s GLU 75 N -1.87 1.44 0.30 4.82 2.12 -0.97 -0.75 118.70 123.78 2pqe s GLU 75 Ca 0.11 -0.47 -0.19 0.00 0.36 0.00 0.00 54.97 54.78 2pqe s GLU 75 Cb -0.10 -1.93 -0.09 0.00 0.26 0.00 0.00 34.13 32.27 2pqe s GLU 75 CO 0.05 -0.41 0.80 -0.06 -0.54 0.00 0.00 175.26 175.10 2pqe s PHE 76 N 1.65 3.52 0.27 5.30 0.40 -1.26 -2.36 117.98 125.51 2pqe s PHE 76 Ca 0.01 1.43 0.03 0.00 -0.60 0.00 0.00 56.93 57.80 2pqe s PHE 76 Cb -0.15 -2.67 0.03 0.00 0.51 0.00 0.00 43.02 40.74 2pqe s PHE 76 CO -0.08 0.18 0.23 -0.25 0.70 0.00 0.00 175.22 176.00 2pqe n ASP 77 N 0.16 1.74 0.27 1.36 9.92 -1.26 -5.00 116.55 123.74 2pqe n ASP 77 Ca 0.02 -1.91 0.12 0.00 -0.53 0.00 0.00 54.79 52.49 2pqe n ASP 77 Cb 0.52 -0.05 0.76 0.00 -0.64 0.00 0.00 41.12 41.71 2pqe n ASP 77 CO 0.00 0.00 0.00 0.11 0.13 0.00 0.00 177.20 177.44 2pqe h LYS 78 N 0.00 0.00 0.00 -1.24 6.56 -1.95 -3.44 116.57 116.50 2pqe h LYS 78 Ca -0.17 0.00 -0.03 0.00 -1.06 0.00 0.00 60.65 59.39 2pqe h LYS 78 Cb 0.63 0.00 0.02 0.00 -0.57 0.00 0.00 32.23 32.31 2pqe h LYS 78 CO 0.26 0.08 -0.02 0.41 -2.06 0.00 0.00 179.45 178.13 2pqe n GLY 79 N -0.98 -2.96 3.77 3.86 0.00 -1.05 -4.78 105.19 103.04 2pqe n GLY 79 Ca -0.02 -0.98 -0.38 0.00 0.00 0.00 0.00 46.02 44.64 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 -2.60 4.63 0.33 1.61 0.00 -1.26 -4.90 119.66 117.48 2pqe s GLN 80 Ca 0.06 1.47 0.17 0.00 -0.00 0.00 0.00 55.36 57.06 2pqe s GLN 80 Cb -0.01 -2.98 0.43 0.00 0.00 0.00 0.00 33.01 30.45 2pqe s GLN 80 CO 0.05 0.30 1.61 -0.09 0.00 0.00 0.00 175.29 177.16 2pqe h ARG 81 N 3.50 0.00 -3.45 9.60 2.43 -1.89 -3.41 114.38 121.17 2pqe h ARG 81 Ca -0.46 0.00 -0.52 0.00 -0.81 0.00 0.00 59.98 58.19 2pqe h ARG 81 Cb 1.20 0.00 -0.40 0.00 -0.42 0.00 0.00 29.97 30.35 2pqe h ARG 81 CO 0.66 0.45 -0.76 0.95 -1.51 0.00 0.00 179.97 179.75 2pqe s THR 82 N -3.34 0.46 -0.82 0.20 -4.23 -1.22 0.57 115.64 107.26 2pqe s THR 82 Ca 0.01 -0.63 -0.13 0.00 -1.18 0.00 0.00 61.69 59.77 2pqe s THR 82 Cb 0.10 -1.05 -0.10 0.00 1.34 0.00 0.00 72.50 72.79 2pqe s THR 82 CO 0.71 -0.30 1.99 -0.90 -0.54 0.00 0.00 174.62 175.58 2pqe n ASP 83 N 5.06 3.70 -2.18 3.99 5.68 -1.26 -4.32 116.55 127.22 2pqe n ASP 83 Ca -0.08 -2.47 -0.10 0.00 -0.50 0.00 0.00 54.79 51.64 2pqe n ASP 83 Cb 0.46 -1.09 -0.01 0.00 -1.14 0.00 0.00 41.12 39.34 2pqe n ASP 83 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 2pqe n LYS 84 N 5.48 -2.09 -0.22 0.11 4.76 -1.26 -4.71 118.16 120.23 2pqe n LYS 84 Ca 0.45 0.52 0.01 0.00 -2.87 0.00 0.00 58.31 56.41 2pqe n LYS 84 Cb 0.25 -5.00 0.01 0.00 -1.84 0.00 0.00 35.03 28.44 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 -2.86 0.00 -1.54 2.13 4.02 -1.26 -4.99 117.16 112.65 2pqe n TYR 85 Ca -0.12 -0.08 -0.17 0.00 -0.01 0.00 0.00 57.90 57.52 2pqe n TYR 85 Cb 0.53 -0.03 -0.07 0.00 -0.02 0.00 0.00 39.34 39.75 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 -0.11 1.56 3.98 2.72 0.00 -1.26 -4.95 105.19 107.13 2pqe n GLY 86 Ca 0.01 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.81 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 -3.54 2.22 -0.94 1.61 3.00 -1.26 -4.71 118.95 115.33 2pqe s ARG 87 Ca 0.00 -0.91 -0.07 0.00 0.00 0.00 0.00 55.73 54.74 2pqe s ARG 87 Cb 0.00 -2.43 0.24 0.00 0.00 0.00 0.00 34.95 32.76 2pqe s ARG 87 CO 0.00 -0.99 0.87 0.20 0.00 0.00 0.00 175.30 175.38 2pqe s GLY 88 N -4.55 3.00 -0.08 -3.53 0.00 0.21 -3.46 107.32 98.91 2pqe s GLY 88 Ca 0.61 -3.68 -0.30 0.00 0.00 0.00 0.00 44.72 41.35 2pqe s GLY 88 CO 0.41 1.25 2.08 1.04 0.00 0.00 0.00 173.10 177.87 2pqe n LEU 89 N 2.94 3.73 0.00 0.66 4.77 0.19 -1.85 117.00 127.44 2pqe n LEU 89 Ca 0.19 0.62 0.00 0.00 -0.03 0.00 0.00 56.01 56.79 2pqe n LEU 89 Cb 0.40 -1.52 0.00 0.00 -2.33 0.00 0.00 43.42 39.97 2pqe n LEU 89 CO 0.39 -0.18 0.00 0.00 -1.33 0.00 0.00 177.39 176.27 2pqe n ALA 90 N 9.18 0.00 -1.76 -1.18 0.00 -0.34 -4.56 120.51 121.85 2pqe n ALA 90 Ca 0.25 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.30 2pqe n ALA 90 Cb 0.41 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.80 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 -0.16 0.00 2.02 -0.99 -2.57 117.35 117.52 2pqe s TYR 91 Ca 0.00 1.87 -0.09 0.00 -0.37 0.00 0.00 57.07 58.48 2pqe s TYR 91 Cb 0.00 -2.97 -0.05 0.00 -0.40 0.00 0.00 41.96 38.55 2pqe s TYR 91 CO 0.00 0.35 0.14 0.42 -1.57 0.00 0.00 175.55 174.88 2pqe s ILE 92 N -1.33 5.45 -0.06 2.71 -1.09 -1.26 -2.30 121.20 123.31 2pqe s ILE 92 Ca 0.44 0.21 0.01 0.00 -2.23 0.00 0.00 60.65 59.08 2pqe s ILE 92 Cb -0.24 -3.44 0.02 0.00 -1.58 0.00 0.00 42.46 37.22 2pqe s ILE 92 CO 0.29 0.53 -0.08 -0.31 -1.23 0.00 0.00 174.94 174.14 2pqe s TYR 93 N -0.31 1.14 -0.18 3.97 2.02 0.84 -2.25 117.35 122.58 2pqe s TYR 93 Ca 0.12 -0.42 -0.05 0.00 -0.37 0.00 0.00 57.07 56.35 2pqe s TYR 93 Cb -0.12 -0.92 -0.03 0.00 -0.40 0.00 0.00 41.96 40.50 2pqe s TYR 93 CO 0.01 -0.28 -0.00 0.00 -1.57 0.00 0.00 175.55 173.71 2pqe s ALA 94 N 0.98 3.08 -1.76 3.71 0.00 -0.68 0.08 121.76 127.18 2pqe s ALA 94 Ca -0.09 -0.89 -0.16 0.00 0.00 0.00 0.00 51.96 50.81 2pqe s ALA 94 Cb -0.15 -1.72 0.16 0.00 0.00 0.00 0.00 23.12 21.41 2pqe s ALA 94 CO 0.00 0.03 0.44 -3.47 0.00 0.00 0.00 175.76 172.76 2pqe n ASP 95 N 3.89 -1.13 -0.35 0.00 2.03 0.24 0.16 116.55 121.39 2pqe n ASP 95 Ca -0.17 -1.23 -0.04 0.00 0.52 0.00 0.00 54.79 53.87 2pqe n ASP 95 Cb 0.52 -1.75 -0.01 0.00 -0.72 0.00 0.00 41.12 39.15 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 -1.55 0.57 3.63 0.27 0.00 -1.26 -5.04 105.19 101.80 2pqe n GLY 96 Ca -0.03 -0.84 -0.27 0.00 0.00 0.00 0.00 46.02 44.88 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 -2.82 2.28 -0.49 1.61 2.20 0.43 -5.09 119.74 117.86 2pqe s LYS 97 Ca 0.00 -1.12 -0.20 0.00 -0.36 0.00 0.00 55.97 54.29 2pqe s LYS 97 Cb 0.00 -2.31 0.05 0.00 -1.51 0.00 0.00 37.83 34.06 2pqe s LYS 97 CO 0.00 0.46 0.66 -1.64 -0.36 0.00 0.00 175.35 174.48 2pqe s MET 98 N -2.74 3.18 0.10 4.03 -1.94 -1.26 -1.69 119.30 118.99 2pqe s MET 98 Ca 0.26 -0.68 -0.13 0.00 -1.71 0.00 0.00 55.69 53.43 2pqe s MET 98 Cb -0.10 -4.05 -0.15 0.00 2.01 0.00 0.00 34.83 32.54 2pqe s MET 98 CO 0.17 -1.19 1.31 0.28 -0.01 0.00 0.00 175.02 175.58 2pqe h VAL 99 N 5.88 1.28 -0.14 -6.03 2.07 -1.83 -1.48 116.25 115.99 2pqe h VAL 99 Ca -0.27 -1.93 0.03 0.00 0.82 0.00 0.00 66.70 65.35 2pqe h VAL 99 Cb 1.09 1.95 -0.03 0.00 -1.52 0.00 0.00 31.29 32.78 2pqe h VAL 99 CO 0.96 0.61 -0.06 -1.13 0.02 0.00 0.00 177.57 177.97 2pqe h ASN 100 N 0.54 -0.19 -0.21 0.57 -0.73 -1.92 0.54 115.58 114.17 2pqe h ASN 100 Ca -0.04 0.05 -0.16 0.00 1.87 0.00 0.00 56.30 58.02 2pqe h ASN 100 Cb 1.37 0.11 0.00 0.00 0.27 0.00 0.00 38.32 40.08 2pqe h ASN 100 CO 0.15 -0.08 -0.50 1.05 -0.37 0.00 0.00 177.43 177.69 2pqe h GLU 101 N -0.04 0.71 -0.88 6.67 -0.00 -1.94 -2.76 114.58 116.34 2pqe h GLU 101 Ca 0.08 -0.48 0.03 0.00 -0.00 0.00 0.00 59.36 58.98 2pqe h GLU 101 Cb 0.15 0.07 -0.05 0.00 -0.00 0.00 0.00 28.75 28.92 2pqe h GLU 101 CO -0.17 1.10 0.58 0.00 -0.00 0.00 0.00 179.01 180.52 2pqe h ALA 102 N 0.60 1.43 0.17 1.06 0.00 -1.05 0.87 119.26 122.34 2pqe h ALA 102 Ca -0.00 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 2pqe h ALA 102 Cb 1.11 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.58 2pqe h ALA 102 CO 0.11 0.49 -0.08 -0.07 0.00 0.00 0.00 179.25 179.70 2pqe h LEU 103 N 1.12 -0.19 -0.40 0.00 3.38 -0.89 -1.79 115.31 116.53 2pqe h LEU 103 Ca 0.34 -0.32 -0.12 0.00 0.09 0.00 0.00 57.88 57.87 2pqe h LEU 103 Cb -0.02 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 2pqe h LEU 103 CO -0.10 0.27 -0.24 0.58 0.09 0.00 0.00 178.44 179.04 2pqe h VAL 104 N -0.71 1.28 -0.03 1.22 2.07 -1.35 0.91 116.25 119.63 2pqe h VAL 104 Ca -0.02 -1.39 -0.03 0.00 0.82 0.00 0.00 66.70 66.08 2pqe h VAL 104 Cb 0.50 1.30 -0.01 0.00 -1.52 0.00 0.00 31.29 31.57 2pqe h VAL 104 CO 0.04 0.47 -0.12 -0.09 0.02 0.00 0.00 177.57 177.89 2pqe h ARG 105 N 0.68 0.04 0.00 1.57 2.43 0.69 -2.23 114.38 117.57 2pqe h ARG 105 Ca 0.08 -0.01 -0.18 0.00 -0.81 0.00 0.00 59.98 59.07 2pqe h ARG 105 Cb 0.81 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.32 2pqe h ARG 105 CO 0.07 0.16 -1.31 1.96 -1.51 0.00 0.00 179.97 179.35 2pqe h GLN 106 N 0.04 0.00 0.00 0.20 4.20 -1.10 -3.46 115.11 114.99 2pqe h GLN 106 Ca 0.01 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.72 2pqe h GLN 106 Cb 0.24 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.02 2pqe h GLN 106 CO 0.02 0.38 0.00 0.41 -0.67 0.00 0.00 178.83 178.97 2pqe n GLY 107 N 1.39 0.93 0.01 3.46 0.00 0.44 -4.35 105.19 107.07 2pqe n GLY 107 Ca -0.09 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.93 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 0.74 -4.39 0.99 7.99 0.29 -0.92 117.00 121.69 2pqe n LEU 108 Ca 0.00 -0.00 -0.24 0.00 -0.01 0.00 0.00 56.01 55.76 2pqe n LEU 108 Cb 0.00 0.01 -0.11 0.00 -0.11 0.00 0.00 43.42 43.21 2pqe n LEU 108 CO 0.00 0.16 -0.50 0.00 -1.51 0.00 0.00 177.39 175.54 2pqe s ALA 109 N -2.03 2.35 0.51 -1.18 0.00 -1.08 -4.60 121.76 115.73 2pqe s ALA 109 Ca -0.01 -1.64 0.01 0.00 0.00 0.00 0.00 51.96 50.32 2pqe s ALA 109 Cb 0.00 -0.24 -0.01 0.00 0.00 0.00 0.00 23.12 22.87 2pqe s ALA 109 CO 0.05 0.30 0.02 -1.59 0.00 0.00 0.00 175.76 174.54 2pqe s LYS 110 N -2.97 2.19 -0.38 0.00 0.00 -0.03 -3.82 119.74 114.73 2pqe s LYS 110 Ca 0.21 -2.40 -0.26 0.00 0.00 0.00 0.00 55.97 53.52 2pqe s LYS 110 Cb -0.06 -1.39 0.02 0.00 0.00 0.00 0.00 37.83 36.39 2pqe s LYS 110 CO 0.09 -0.41 0.93 0.08 0.00 0.00 0.00 175.35 176.05 2pqe s VAL 111 N -2.93 4.57 1.01 1.79 1.01 -1.26 -0.92 120.40 123.67 2pqe s VAL 111 Ca 0.05 1.17 -0.17 0.00 0.00 0.00 0.00 61.98 63.03 2pqe s VAL 111 Cb 0.01 -4.35 0.22 0.00 0.00 0.00 0.00 36.38 32.26 2pqe s VAL 111 CO 0.03 -0.57 1.31 0.00 0.00 0.00 0.00 175.10 175.87 2pqe s ALA 112 N 3.52 1.97 -0.44 5.51 0.00 -1.01 -4.85 121.76 126.46 2pqe s ALA 112 Ca 0.38 -1.22 0.04 0.00 0.00 0.00 0.00 51.96 51.16 2pqe s ALA 112 Cb -0.12 -2.77 0.12 0.00 0.00 0.00 0.00 23.12 20.35 2pqe s ALA 112 CO 0.20 -2.67 0.16 0.71 0.00 0.00 0.00 175.76 174.16 2pqe s TYR 113 N -3.79 3.44 0.57 0.00 1.51 -1.26 -4.69 117.35 113.12 2pqe s TYR 113 Ca 0.75 -3.10 -0.16 0.00 -1.01 0.00 0.00 57.07 53.55 2pqe s TYR 113 Cb -0.04 -2.87 -0.05 0.00 -0.11 0.00 0.00 41.96 38.89 2pqe s TYR 113 CO 0.54 -0.84 1.03 0.54 -1.11 0.00 0.00 175.55 175.71 2pqe s VAL 114 N 0.25 4.07 0.06 0.71 0.11 -1.26 -4.99 120.40 119.35 2pqe s VAL 114 Ca 0.14 0.98 -0.33 0.00 -2.93 0.00 0.00 61.98 59.85 2pqe s VAL 114 Cb -0.23 -3.51 -0.19 0.00 -1.53 0.00 0.00 36.38 30.93 2pqe s VAL 114 CO -0.04 -0.58 1.53 1.88 -3.33 0.00 0.00 175.10 174.56 2pqe h TYR 115 N 0.59 -0.90 0.00 1.54 -1.99 -1.99 -3.48 116.97 110.74 2pqe h TYR 115 Ca -0.47 -0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.24 2pqe h TYR 115 Cb 1.21 0.30 0.00 0.00 2.00 0.00 0.00 36.73 40.23 2pqe h TYR 115 CO 0.60 -0.54 0.00 1.63 -0.00 0.00 0.00 178.16 179.85 2pqe n LYS 116 N -5.49 0.00 0.00 4.88 5.02 -1.26 -5.01 118.16 116.31 2pqe n LYS 116 Ca -0.14 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.15 2pqe n LYS 116 Cb 0.40 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.41 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 -0.22 2.90 3.36 0.72 0.00 -1.26 -4.06 105.19 106.63 2pqe n GLY 117 Ca 0.00 -0.06 -0.46 0.00 0.00 0.00 0.00 46.02 45.50 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 0.76 6.76 -0.19 1.61 3.04 -1.26 -2.54 114.94 123.12 2pqe s ASN 118 Ca 0.00 -2.57 0.14 0.00 0.04 0.00 0.00 52.86 50.47 2pqe s ASN 118 Cb 0.00 -2.26 0.33 0.00 -1.54 0.00 0.00 41.25 37.78 2pqe s ASN 118 CO 0.00 -0.69 1.27 -0.46 -3.04 0.00 0.00 177.10 174.18 2pqe n ASN 119 N 4.59 -0.34 -0.01 -4.21 0.23 -1.26 -4.85 115.26 109.42 2pqe n ASN 119 Ca 0.17 -2.09 -0.21 0.00 -0.53 0.00 0.00 54.58 51.92 2pqe n ASN 119 Cb 0.47 0.20 -0.14 0.00 -2.08 0.00 0.00 39.78 38.23 2pqe n ASN 119 CO 0.00 0.00 0.00 0.41 -0.93 0.00 0.00 177.26 176.74 2pqe n THR 120 N -0.68 1.76 0.79 5.53 -1.04 -1.26 -4.34 114.28 115.04 2pqe n THR 120 Ca -0.12 -0.61 0.09 0.00 -2.04 0.00 0.00 64.05 61.37 2pqe n THR 120 Cb 0.86 -1.75 -0.01 0.00 -1.82 0.00 0.00 70.33 67.60 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 -3.55 0.00 -0.41 -1.42 8.25 -1.26 -4.50 115.22 112.32 2pqe n HIS 121 Ca -0.32 0.00 0.40 0.00 -0.26 0.00 0.00 57.72 57.53 2pqe n HIS 121 Cb 1.02 0.00 0.77 0.00 1.12 0.00 0.00 29.99 32.90 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 1.76 0.00 -0.43 -0.41 4.81 -1.89 0.38 114.58 118.80 2pqe h GLU 122 Ca 0.00 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2pqe h GLU 122 Cb 0.58 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.94 2pqe h GLU 122 CO 0.00 0.00 0.26 -0.56 -0.73 0.00 0.00 179.01 177.98 2pqe h GLN 123 N 0.00 0.58 -0.26 1.92 3.07 -1.86 -1.10 115.11 117.46 2pqe h GLN 123 Ca 0.65 -0.05 -0.15 0.00 0.09 0.00 0.00 58.65 59.20 2pqe h GLN 123 Cb 2.63 -0.12 -0.01 0.00 0.08 0.00 0.00 27.48 30.06 2pqe h GLN 123 CO -0.01 0.42 -0.44 -0.07 0.09 0.00 0.00 178.83 178.83 2pqe h LEU 124 N 0.57 0.70 0.15 0.06 3.38 -0.59 -2.51 115.31 117.07 2pqe h LEU 124 Ca 0.16 -0.33 -0.00 0.00 0.09 0.00 0.00 57.88 57.79 2pqe h LEU 124 Cb -0.01 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 2pqe h LEU 124 CO -0.03 1.04 -0.11 -0.07 0.09 0.00 0.00 178.44 179.36 2pqe h LEU 125 N 0.52 -0.27 -1.21 1.67 4.07 -1.05 0.12 115.31 119.16 2pqe h LEU 125 Ca 0.04 0.02 -0.01 0.00 0.08 0.00 0.00 57.88 58.00 2pqe h LEU 125 Cb 0.97 0.08 -0.03 0.00 1.08 0.00 0.00 40.66 42.77 2pqe h LEU 125 CO 0.09 -0.17 0.37 -0.09 -1.08 0.00 0.00 178.44 177.56 2pqe h ARG 126 N -0.26 0.91 -0.55 1.13 2.43 -1.22 0.49 114.38 117.31 2pqe h ARG 126 Ca -0.01 -0.09 -0.10 0.00 -0.81 0.00 0.00 59.98 58.96 2pqe h ARG 126 Cb 0.23 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 29.57 2pqe h ARG 126 CO 0.00 0.66 -0.06 0.87 -1.51 0.00 0.00 179.97 179.94 2pqe h LYS 127 N 0.92 1.02 0.00 0.20 6.56 -1.01 0.24 116.57 124.50 2pqe h LYS 127 Ca 0.24 -0.36 -0.26 0.00 -1.06 0.00 0.00 60.65 59.21 2pqe h LYS 127 Cb 0.01 -0.08 0.02 0.00 -0.57 0.00 0.00 32.23 31.62 2pqe h LYS 127 CO -0.04 1.04 -1.03 1.03 -2.06 0.00 0.00 179.45 178.39 2pqe h SER 128 N 0.90 0.87 -0.18 0.86 0.87 -0.22 -2.66 113.55 113.99 2pqe h SER 128 Ca 0.15 -0.70 -0.13 0.00 -1.23 0.00 0.00 61.79 59.88 2pqe h SER 128 Cb 0.62 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 62.30 2pqe h SER 128 CO 0.04 1.50 -0.35 -0.08 -0.53 0.00 0.00 176.83 177.41 2pqe h GLU 129 N 0.38 0.69 -0.24 2.24 4.81 0.04 -2.49 114.58 120.00 2pqe h GLU 129 Ca -0.12 -0.33 -0.04 0.00 -0.13 0.00 0.00 59.36 58.74 2pqe h GLU 129 Cb 1.68 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 31.05 2pqe h GLU 129 CO 0.20 0.94 0.01 0.00 -0.73 0.00 0.00 179.01 179.43 2pqe h ALA 130 N 1.03 0.32 -0.71 2.92 0.00 -0.56 0.24 119.26 122.50 2pqe h ALA 130 Ca 0.06 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 2pqe h ALA 130 Cb 0.87 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.54 2pqe h ALA 130 CO 0.08 0.04 0.42 1.96 0.00 0.00 0.00 179.25 181.74 2pqe h GLN 131 N 0.20 0.96 0.00 0.00 1.08 -1.44 -0.49 115.11 115.42 2pqe h GLN 131 Ca 0.07 -0.09 -0.14 0.00 -1.45 0.00 0.00 58.65 57.04 2pqe h GLN 131 Cb 0.39 -0.20 -0.02 0.00 -0.05 0.00 0.00 27.48 27.60 2pqe h GLN 131 CO 0.01 0.68 -0.68 0.00 -0.95 0.00 0.00 178.83 177.89 2pqe h ALA 132 N 1.48 0.73 0.04 3.87 0.00 -1.28 -2.14 119.26 121.96 2pqe h ALA 132 Ca 0.25 -0.62 -0.00 0.00 0.00 0.00 0.00 54.91 54.54 2pqe h ALA 132 Cb -0.02 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.66 2pqe h ALA 132 CO -0.05 0.85 -0.02 -0.22 0.00 0.00 0.00 179.25 179.82 2pqe h LYS 133 N 0.00 -0.05 -0.00 0.00 3.11 -0.15 0.48 116.57 119.96 2pqe h LYS 133 Ca -0.01 0.00 -0.09 0.00 -2.81 0.00 0.00 60.65 57.75 2pqe h LYS 133 Cb 1.33 0.01 -0.01 0.00 -1.00 0.00 0.00 32.23 32.56 2pqe h LYS 133 CO 0.09 0.56 -0.43 0.87 -2.81 0.00 0.00 179.45 177.73 2pqe h LYS 134 N -0.73 0.00 0.00 1.90 6.56 -1.21 -2.83 116.57 120.26 2pqe h LYS 134 Ca -0.01 -0.00 -0.05 0.00 -1.06 0.00 0.00 60.65 59.53 2pqe h LYS 134 Cb 0.64 -0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.29 2pqe h LYS 134 CO 0.01 0.43 -1.00 0.93 -2.06 0.00 0.00 179.45 177.76 2pqe h GLU 135 N 0.00 0.00 -5.75 3.15 5.08 -1.44 -3.49 114.58 112.13 2pqe h GLU 135 Ca -0.00 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 58.10 2pqe h GLU 135 Cb 0.76 0.00 0.10 0.00 0.50 0.00 0.00 28.75 30.11 2pqe h GLU 135 CO 0.06 0.11 -0.68 1.63 -1.00 0.00 0.00 179.01 179.13 2pqe n LYS 136 N -2.81 -1.65 0.14 2.33 4.76 0.17 -4.96 118.16 116.13 2pqe n LYS 136 Ca -0.02 0.91 -0.06 0.00 -2.87 0.00 0.00 58.31 56.27 2pqe n LYS 136 Cb 0.64 -5.06 -0.03 0.00 -1.84 0.00 0.00 35.03 28.75 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 -0.85 -0.32 0.00 -0.35 3.38 -1.68 -3.44 115.31 112.05 2pqe h LEU 137 Ca -0.47 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.51 2pqe h LEU 137 Cb 1.25 0.08 0.00 0.00 0.09 0.00 0.00 40.66 42.08 2pqe h LEU 137 CO 0.41 -0.14 0.00 0.59 0.09 0.00 0.00 178.44 179.39 2pqe n ASN 138 N -3.49 0.00 -0.30 -0.43 3.02 -1.26 -4.90 115.26 107.89 2pqe n ASN 138 Ca -0.05 0.00 0.09 0.00 -0.03 0.00 0.00 54.58 54.60 2pqe n ASN 138 Cb 0.15 0.01 0.26 0.00 -0.61 0.00 0.00 39.78 39.58 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 0.67 -1.06 2.41 3.07 -1.32 -1.55 117.51 119.73 2pqe h ILE 139 Ca 0.00 -0.20 -0.50 0.00 1.55 0.00 0.00 64.86 65.71 2pqe h ILE 139 Cb 0.00 0.03 -0.18 0.00 -0.27 0.00 0.00 36.82 36.40 2pqe h ILE 139 CO 0.00 0.11 0.41 0.79 -1.05 0.00 0.00 178.15 178.40 2pqe n TRP 140 N -4.90 1.59 -1.84 0.16 5.03 -1.26 -4.30 117.44 111.92 2pqe n TRP 140 Ca 0.19 -1.94 0.05 0.00 3.03 0.00 0.00 57.50 58.82 2pqe n TRP 140 Cb 0.50 -1.39 0.16 0.00 -1.03 0.00 0.00 31.31 29.55 2pqe n TRP 140 CO 0.00 0.00 0.00 0.43 -0.03 0.00 0.00 177.69 178.09 2pqe n SER 141 N 0.90 1.63 -1.07 -0.99 7.64 -0.58 -4.06 113.62 117.08 2pqe n SER 141 Ca 0.49 -3.44 -0.06 0.00 1.01 0.00 0.00 58.87 56.87 2pqe n SER 141 Cb 0.55 -0.47 -0.06 0.00 -1.01 0.00 0.00 64.21 63.22 2pqe n SER 141 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 2pqe n GLU 142 N -0.72 0.02 -4.17 1.43 -0.00 -1.26 -5.08 120.64 110.87 2pqe n GLU 142 Ca 0.16 -1.09 -0.13 0.00 -0.00 0.00 0.00 57.16 56.11 2pqe n GLU 142 Cb 0.81 0.45 -0.10 0.00 -0.00 0.00 0.00 31.44 32.60 2pqe n GLU 142 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 2pqe s ASP 143 N -1.09 1.30 -1.71 -1.84 1.01 -1.26 -4.81 116.67 108.27 2pqe s ASP 143 Ca 0.03 -0.89 -0.01 0.00 0.71 0.00 0.00 52.55 52.39 2pqe s ASP 143 Cb 0.04 0.04 0.00 0.00 1.01 0.00 0.00 42.92 44.02 2pqe s ASP 143 CO -0.02 -0.35 0.18 0.59 0.21 0.00 0.00 175.17 175.78 2pqe n ASN 144 N 0.32 -5.95 0.00 0.27 3.02 -1.26 -4.83 115.26 106.83 2pqe n ASN 144 Ca -0.14 -0.10 0.00 0.00 -0.03 0.00 0.00 54.58 54.31 2pqe n ASN 144 Cb 0.59 -4.90 0.00 0.00 -0.61 0.00 0.00 39.78 34.86 2pqe n ASN 144 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2pqe n ALA 145 N -2.45 2.29 -3.50 5.41 0.00 -1.26 -4.94 120.51 116.06 2pqe n ALA 145 Ca -0.21 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 52.96 2pqe n ALA 145 Cb 0.67 0.46 -0.10 0.00 0.00 0.00 0.00 19.45 20.47 2pqe n ALA 145 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2pqe n ASP 146 N -2.57 0.72 -4.16 0.00 9.92 -1.26 -5.10 116.55 114.10 2pqe n ASP 146 Ca 0.00 -2.68 -0.10 0.00 -0.53 0.00 0.00 54.79 51.47 2pqe n ASP 146 Cb 0.46 -0.62 -0.10 0.00 -0.64 0.00 0.00 41.12 40.22 2pqe n ASP 146 CO 0.00 0.00 0.00 -0.55 0.13 0.00 0.00 177.20 176.78 2pqe s SER 147 N -0.61 0.24 0.14 -2.24 0.15 -1.26 -5.12 113.70 104.99 2pqe s SER 147 Ca 0.32 -1.25 0.02 0.00 0.70 0.00 0.00 55.95 55.73 2pqe s SER 147 Cb 0.04 0.34 0.02 0.00 -1.71 0.00 0.00 66.02 64.70 2pqe s SER 147 CO -0.17 -0.78 0.15 0.61 1.20 0.00 0.00 173.24 174.25 2pqe n GLY 148 N -0.17 2.49 0.41 9.45 0.00 -1.26 -5.13 105.19 110.98 2pqe n GLY 148 Ca -0.03 -2.18 0.14 0.00 0.00 0.00 0.00 46.02 43.95 2pqe n GLY 148 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26