#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 0.36 -4.09 0.00 -2.24 -1.26 -5.10 114.28 101.95 2pqe n THR 2 Ca 0.00 0.12 -0.19 0.00 -2.27 0.00 0.00 64.05 61.71 2pqe n THR 2 Cb 0.00 -0.79 -0.16 0.00 -2.10 0.00 0.00 70.33 67.28 2pqe n THR 2 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2pqe s SER 3 N -5.14 0.74 -0.31 3.42 0.01 -1.26 -5.12 113.70 106.04 2pqe s SER 3 Ca 0.00 -0.09 -0.20 0.00 1.31 0.00 0.00 55.95 56.96 2pqe s SER 3 Cb 0.00 -0.36 -0.01 0.00 0.21 0.00 0.00 66.02 65.86 2pqe s SER 3 CO 0.00 -0.06 0.63 0.42 0.41 0.00 0.00 173.24 174.64 2pqe s THR 4 N 0.90 4.93 0.67 1.44 -4.23 -1.26 -5.06 115.64 113.04 2pqe s THR 4 Ca -0.11 0.83 0.04 0.00 -1.18 0.00 0.00 61.69 61.27 2pqe s THR 4 Cb -0.14 -4.01 0.12 0.00 1.34 0.00 0.00 72.50 69.82 2pqe s THR 4 CO -0.00 -0.16 0.92 0.29 -0.54 0.00 0.00 174.62 175.13 2pqe n LYS 5 N 5.90 0.20 0.01 3.99 4.76 -1.26 -5.09 118.16 126.67 2pqe n LYS 5 Ca -0.01 -2.94 -0.00 0.00 -2.87 0.00 0.00 58.31 52.48 2pqe n LYS 5 Cb 0.49 -0.48 -0.00 0.00 -1.84 0.00 0.00 35.03 33.20 2pqe n LYS 5 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2pqe n LYS 6 N -2.61 0.02 -2.73 1.97 4.01 -1.26 -5.04 118.16 112.52 2pqe n LYS 6 Ca 0.17 0.01 -0.41 0.00 -0.51 0.00 0.00 58.31 57.57 2pqe n LYS 6 Cb 0.60 -0.26 -0.05 0.00 -0.51 0.00 0.00 35.03 34.81 2pqe n LYS 6 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 2pqe s LEU 7 N -5.80 4.57 -0.02 -0.35 1.43 -1.26 -5.06 118.68 112.20 2pqe s LEU 7 Ca -0.01 1.88 0.02 0.00 -1.03 0.00 0.00 54.13 54.99 2pqe s LEU 7 Cb 0.00 -3.60 -0.03 0.00 0.03 0.00 0.00 46.19 42.59 2pqe s LEU 7 CO 0.02 0.04 -0.05 -1.38 0.23 0.00 0.00 176.35 175.21 2pqe s HIS 8 N -0.60 2.97 0.51 0.29 -3.43 -1.26 -5.12 115.29 108.64 2pqe s HIS 8 Ca 0.44 0.02 -0.07 0.00 -0.80 0.00 0.00 55.06 54.65 2pqe s HIS 8 Cb -0.25 -1.66 -0.04 0.00 -1.43 0.00 0.00 32.58 29.20 2pqe s HIS 8 CO 0.31 0.39 0.84 0.15 -2.00 0.00 0.00 174.74 174.43 2pqe s LYS 9 N -1.27 3.58 0.00 -0.38 3.01 -1.26 -4.81 119.74 118.60 2pqe s LYS 9 Ca 0.16 0.36 0.00 0.00 -1.01 0.00 0.00 55.97 55.48 2pqe s LYS 9 Cb -0.11 -2.31 0.00 0.00 -1.01 0.00 0.00 37.83 34.40 2pqe s LYS 9 CO 0.06 -0.27 0.00 -1.91 0.51 0.00 0.00 175.35 173.74 2pqe n GLU 10 N -2.27 1.53 0.00 1.68 4.07 0.29 -4.83 120.64 121.11 2pqe n GLU 10 Ca 0.02 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.12 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 -2.14 120.51 118.42 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 7.52 0.00 -3.01 0.00 0.00 -0.74 -4.38 120.51 119.91 2pqe n ALA 12 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 2pqe n ALA 12 Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.33 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 0.03 -0.30 0.00 2.01 -1.06 -3.53 115.64 112.79 2pqe s THR 13 Ca 0.00 -0.24 -0.13 0.00 0.31 0.00 0.00 61.69 61.63 2pqe s THR 13 Cb 0.00 -0.22 -0.03 0.00 0.01 0.00 0.00 72.50 72.25 2pqe s THR 13 CO 0.00 -0.13 0.27 -0.22 -0.69 0.00 0.00 174.62 173.85 2pqe s LEU 14 N -0.39 4.21 -0.02 4.42 1.98 -1.26 0.20 118.68 127.82 2pqe s LEU 14 Ca -0.05 -0.08 -0.20 0.00 -2.89 0.00 0.00 54.13 50.92 2pqe s LEU 14 Cb -0.03 -2.23 -0.12 0.00 0.66 0.00 0.00 46.19 44.47 2pqe s LEU 14 CO 0.00 -0.17 0.83 0.40 -1.89 0.00 0.00 176.35 175.52 2pqe h ILE 15 N 5.43 0.14 -1.12 6.68 5.03 -0.57 -3.47 117.51 129.63 2pqe h ILE 15 Ca -0.32 -0.56 0.18 0.00 -0.12 0.00 0.00 64.86 64.04 2pqe h ILE 15 Cb 1.17 0.21 -0.32 0.00 -3.03 0.00 0.00 36.82 34.85 2pqe h ILE 15 CO 0.61 0.03 0.81 -0.75 -0.68 0.00 0.00 178.15 178.18 2pqe s LYS 16 N -3.82 0.10 0.59 2.37 2.47 -1.02 -5.02 119.74 115.40 2pqe s LYS 16 Ca -0.11 0.13 -0.17 0.00 -1.56 0.00 0.00 55.97 54.26 2pqe s LYS 16 Cb 0.01 0.04 -0.04 0.00 -1.46 0.00 0.00 37.83 36.39 2pqe s LYS 16 CO 0.34 -0.01 1.09 0.00 0.16 0.00 0.00 175.35 176.92 2pqe s ALA 17 N 0.28 2.67 -0.11 3.13 0.00 -1.26 -1.11 121.76 125.35 2pqe s ALA 17 Ca 0.04 0.57 -0.06 0.00 0.00 0.00 0.00 51.96 52.50 2pqe s ALA 17 Cb -0.04 -3.29 -0.05 0.00 0.00 0.00 0.00 23.12 19.74 2pqe s ALA 17 CO -0.14 -0.87 -0.15 -0.89 0.00 0.00 0.00 175.76 173.71 2pqe n ILE 18 N -1.83 0.70 -2.95 0.00 2.08 0.43 -4.84 119.36 112.94 2pqe n ILE 18 Ca 0.10 -0.13 -0.15 0.00 0.56 0.00 0.00 62.75 63.12 2pqe n ILE 18 Cb 0.52 -1.68 -0.00 0.00 -0.75 0.00 0.00 39.64 37.73 2pqe n ILE 18 CO 0.00 0.00 0.00 -0.67 0.56 0.00 0.00 176.55 176.44 2pqe n ASP 19 N -3.56 -1.45 0.00 4.38 2.03 0.25 -4.97 116.55 113.23 2pqe n ASP 19 Ca -0.22 -3.04 0.00 0.00 0.52 0.00 0.00 54.79 52.05 2pqe n ASP 19 Cb 0.63 0.69 0.00 0.00 -0.72 0.00 0.00 41.12 41.72 2pqe n ASP 19 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2pqe n GLY 20 N 1.49 0.54 0.09 0.27 0.00 -1.26 -2.53 105.19 103.79 2pqe n GLY 20 Ca 0.15 0.59 -0.04 0.00 0.00 0.00 0.00 46.02 46.73 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 -3.58 1.61 3.32 -1.92 -3.43 116.42 112.42 2pqe h ASP 21 Ca 0.00 0.00 -0.64 0.00 0.02 0.00 0.00 57.03 56.41 2pqe h ASP 21 Cb 0.00 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 39.41 2pqe h ASP 21 CO 0.00 0.81 0.17 -0.89 -1.72 0.00 0.00 179.24 177.62 2pqe s THR 22 N -2.80 4.83 -0.02 0.35 2.01 -1.05 -2.09 115.64 116.87 2pqe s THR 22 Ca 0.02 0.40 -0.03 0.00 0.31 0.00 0.00 61.69 62.39 2pqe s THR 22 Cb 0.09 -4.16 0.00 0.00 0.01 0.00 0.00 72.50 68.44 2pqe s THR 22 CO 0.79 -0.48 0.07 0.68 -0.69 0.00 0.00 174.62 174.99 2pqe s VAL 23 N 2.85 0.02 -0.53 3.82 -7.23 0.02 0.16 120.40 119.50 2pqe s VAL 23 Ca 0.25 -0.14 -0.25 0.00 -1.81 0.00 0.00 61.98 60.03 2pqe s VAL 23 Cb -0.14 -0.15 0.04 0.00 0.56 0.00 0.00 36.38 36.68 2pqe s VAL 23 CO 0.18 -0.08 0.98 -0.54 -0.31 0.00 0.00 175.10 175.32 2pqe s LYS 24 N -0.21 3.41 -0.17 4.82 1.02 -0.27 0.11 119.74 128.46 2pqe s LYS 24 Ca -0.03 -0.07 -0.03 0.00 0.02 0.00 0.00 55.97 55.86 2pqe s LYS 24 Cb -0.02 -4.01 -0.02 0.00 -0.52 0.00 0.00 37.83 33.25 2pqe s LYS 24 CO 0.00 -1.44 -0.04 -1.17 -0.92 0.00 0.00 175.35 171.77 2pqe s LEU 25 N 4.05 3.13 -0.66 3.17 0.20 0.35 0.22 118.68 129.14 2pqe s LEU 25 Ca 0.34 -0.20 -0.27 0.00 0.69 0.00 0.00 54.13 54.69 2pqe s LEU 25 Cb -0.11 -1.76 0.01 0.00 -0.43 0.00 0.00 46.19 43.90 2pqe s LEU 25 CO 0.22 0.13 1.55 -0.32 -0.29 0.00 0.00 176.35 177.64 2pqe s MET 26 N 0.62 2.96 -0.18 1.98 -2.45 0.54 -1.61 119.30 121.15 2pqe s MET 26 Ca -0.03 0.22 -0.08 0.00 -1.25 0.00 0.00 55.69 54.55 2pqe s MET 26 Cb -0.15 -4.26 -0.04 0.00 1.25 0.00 0.00 34.83 31.63 2pqe s MET 26 CO 0.02 -2.38 0.10 -0.47 1.05 0.00 0.00 175.02 173.35 2pqe s TYR 27 N 7.24 3.36 -0.41 4.11 6.14 0.23 -2.55 117.35 135.46 2pqe s TYR 27 Ca 0.51 0.24 0.00 0.00 0.64 0.00 0.00 57.07 58.47 2pqe s TYR 27 Cb -0.10 -2.08 0.00 0.00 0.42 0.00 0.00 41.96 40.19 2pqe s TYR 27 CO 0.19 0.30 0.00 0.36 0.64 0.00 0.00 175.55 177.04 2pqe n LYS 28 N 3.27 -2.49 -0.44 4.97 -0.00 -1.26 0.13 118.16 122.33 2pqe n LYS 28 Ca -0.17 0.23 0.00 0.00 -0.00 0.00 0.00 58.31 58.37 2pqe n LYS 28 Cb 0.53 -4.71 0.00 0.00 -0.00 0.00 0.00 35.03 30.85 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 -0.54 0.73 2.83 2.58 0.00 -1.26 -5.07 105.19 104.45 2pqe n GLY 29 Ca -0.05 -0.44 -0.22 0.00 0.00 0.00 0.00 46.02 45.30 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 -0.86 0.78 -0.81 1.61 -2.07 0.35 -5.09 119.66 113.58 2pqe s GLN 30 Ca 0.00 -0.00 -0.26 0.00 -1.82 0.00 0.00 55.36 53.28 2pqe s GLN 30 Cb 0.00 -1.00 0.01 0.00 -1.09 0.00 0.00 33.01 30.94 2pqe s GLN 30 CO 0.00 -0.23 1.53 0.00 -1.32 0.00 0.00 175.29 175.27 2pqe s ALA 31 N 1.60 2.48 0.14 2.60 0.00 -1.26 0.77 121.76 128.08 2pqe s ALA 31 Ca -0.00 -1.48 0.06 0.00 0.00 0.00 0.00 51.96 50.54 2pqe s ALA 31 Cb -0.13 -4.38 -0.04 0.00 0.00 0.00 0.00 23.12 18.57 2pqe s ALA 31 CO -0.04 -3.70 0.03 0.00 0.00 0.00 0.00 175.76 172.05 2pqe s MET 32 N 5.97 2.58 -0.39 0.00 0.23 -0.63 -4.87 119.30 122.19 2pqe s MET 32 Ca 0.49 -0.96 -0.29 0.00 -1.03 0.00 0.00 55.69 53.90 2pqe s MET 32 Cb -0.07 -2.49 0.02 0.00 -1.53 0.00 0.00 34.83 30.76 2pqe s MET 32 CO 0.07 0.49 1.11 0.99 -2.03 0.00 0.00 175.02 175.66 2pqe s THR 33 N -1.60 4.35 0.00 3.16 2.01 -1.26 -0.50 115.64 121.81 2pqe s THR 33 Ca 0.28 1.48 -0.10 0.00 0.31 0.00 0.00 61.69 63.66 2pqe s THR 33 Cb -0.10 -4.50 -0.05 0.00 0.01 0.00 0.00 72.50 67.86 2pqe s THR 33 CO 0.20 -0.73 0.32 -0.36 -0.69 0.00 0.00 174.62 173.36 2pqe s PHE 34 N 4.07 3.63 -0.15 4.92 0.40 0.30 -0.33 117.98 130.81 2pqe s PHE 34 Ca 0.47 0.74 -0.00 0.00 -0.60 0.00 0.00 56.93 57.54 2pqe s PHE 34 Cb -0.10 -2.11 0.03 0.00 0.51 0.00 0.00 43.02 41.36 2pqe s PHE 34 CO 0.23 0.62 -0.07 1.03 0.70 0.00 0.00 175.22 177.73 2pqe s ARG 35 N -1.49 1.58 -0.03 0.44 1.81 -1.05 -0.80 118.95 119.40 2pqe s ARG 35 Ca 0.26 -0.46 -0.36 0.00 -1.72 0.00 0.00 55.73 53.45 2pqe s ARG 35 Cb -0.14 -1.91 -0.14 0.00 -0.45 0.00 0.00 34.95 32.30 2pqe s ARG 35 CO 0.14 -0.36 1.67 1.28 -0.68 0.00 0.00 175.30 177.35 2pqe n LEU 36 N 4.87 2.79 -4.74 2.53 4.77 -0.89 -1.32 117.00 125.01 2pqe n LEU 36 Ca -0.13 1.05 -0.40 0.00 -0.03 0.00 0.00 56.01 56.50 2pqe n LEU 36 Cb 0.49 -1.30 -0.05 0.00 -2.33 0.00 0.00 43.42 40.22 2pqe n LEU 36 CO 0.17 -0.38 0.57 -0.76 -1.33 0.00 0.00 177.39 175.66 2pqe s LEU 37 N 2.46 4.51 -1.81 2.23 1.43 -0.78 -3.64 118.68 123.08 2pqe s LEU 37 Ca 0.89 1.67 0.00 0.00 -1.03 0.00 0.00 54.13 55.65 2pqe s LEU 37 Cb -0.82 -3.42 0.00 0.00 0.03 0.00 0.00 46.19 41.98 2pqe s LEU 37 CO 0.50 0.03 0.00 0.18 0.23 0.00 0.00 176.35 177.29 2pqe n LEU 38 N 2.47 -1.60 -4.16 1.79 4.77 -1.26 -4.78 117.00 114.23 2pqe n LEU 38 Ca -0.01 0.23 -0.14 0.00 -0.03 0.00 0.00 56.01 56.06 2pqe n LEU 38 Cb 0.49 -2.66 -0.11 0.00 -2.33 0.00 0.00 43.42 38.81 2pqe n LEU 38 CO 0.49 -0.61 -0.42 -0.69 -1.33 0.00 0.00 177.39 174.83 2pqe s VAL 39 N -2.81 0.90 -0.20 4.08 1.01 -1.24 -2.48 120.40 119.66 2pqe s VAL 39 Ca 0.00 -1.55 -0.04 0.00 0.00 0.00 0.00 61.98 60.38 2pqe s VAL 39 Cb 0.00 -1.25 0.08 0.00 0.00 0.00 0.00 36.38 35.20 2pqe s VAL 39 CO 0.00 -0.52 0.15 -1.81 0.00 0.00 0.00 175.10 172.92 2pqe s ASP 40 N -2.30 2.08 -0.61 3.32 1.11 0.31 -4.25 116.67 116.33 2pqe s ASP 40 Ca 0.03 -0.54 0.04 0.00 0.18 0.00 0.00 52.55 52.27 2pqe s ASP 40 Cb -0.04 -0.01 0.35 0.00 1.07 0.00 0.00 42.92 44.29 2pqe s ASP 40 CO 0.00 -0.35 1.07 0.41 1.18 0.00 0.00 175.17 177.48 2pqe n THR 41 N 5.29 3.31 0.00 -1.27 -1.04 -1.26 -0.65 114.28 118.66 2pqe n THR 41 Ca -0.06 -5.54 0.00 0.00 -2.04 0.00 0.00 64.05 56.41 2pqe n THR 41 Cb 0.49 -1.40 0.00 0.00 -1.82 0.00 0.00 70.33 67.60 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 -0.26 0.00 -2.72 2.41 0.00 -1.26 -4.37 120.51 114.31 2pqe n ALA 42 Ca 0.34 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.61 2pqe n ALA 42 Cb 0.41 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.86 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 0.00 1.92 -2.61 0.00 2.13 -1.26 -5.03 120.64 115.79 2pqe n GLU 43 Ca 0.00 -3.76 -0.42 0.00 0.66 0.00 0.00 57.16 53.65 2pqe n GLU 43 Cb 0.00 -1.68 -0.02 0.00 0.27 0.00 0.00 31.44 30.01 2pqe n GLU 43 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 2pqe s THR 44 N -3.78 4.07 -0.05 6.31 2.01 -1.26 -4.63 115.64 118.31 2pqe s THR 44 Ca 0.37 -1.11 0.12 0.00 0.31 0.00 0.00 61.69 61.38 2pqe s THR 44 Cb 0.41 -5.05 0.23 0.00 0.01 0.00 0.00 72.50 68.10 2pqe s THR 44 CO -0.06 -1.90 1.11 2.29 -0.69 0.00 0.00 174.62 175.36 2pqe n LYS 45 N 8.47 0.44 -0.02 4.92 -0.00 -1.26 -4.77 118.16 125.95 2pqe n LYS 45 Ca 0.35 -1.88 -0.00 0.00 -0.00 0.00 0.00 58.31 56.78 2pqe n LYS 45 Cb 0.50 -0.69 -0.05 0.00 -0.00 0.00 0.00 35.03 34.79 2pqe n LYS 45 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.40 178.98 2pqe n HIS 46 N -0.27 0.00 -3.00 5.58 -0.00 -1.26 -5.03 115.22 111.24 2pqe n HIS 46 Ca 0.07 0.00 -0.14 0.00 0.46 0.00 0.00 57.72 58.12 2pqe n HIS 46 Cb 0.82 -0.24 0.04 0.00 -0.12 0.00 0.00 29.99 30.49 2pqe n HIS 46 CO 0.00 0.00 0.00 2.41 0.46 0.00 0.00 176.34 179.21 2pqe n THR 47 N -2.00 -1.56 -0.05 3.57 -1.04 -1.26 -4.96 114.28 106.98 2pqe n THR 47 Ca -0.06 0.00 -0.15 0.00 -2.04 0.00 0.00 64.05 61.80 2pqe n THR 47 Cb 0.46 -2.80 -0.13 0.00 -1.82 0.00 0.00 70.33 66.05 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 -1.34 0.05 0.00 -2.82 3.64 -1.98 -3.48 116.57 110.64 2pqe h LYS 48 Ca -0.32 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 58.98 2pqe h LYS 48 Cb 1.21 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.06 2pqe h LYS 48 CO 0.33 1.00 0.00 0.36 -2.27 0.00 0.00 179.45 178.87 2pqe n LYS 49 N -4.55 0.00 0.00 1.90 -0.00 -1.26 -5.01 118.16 109.24 2pqe n LYS 49 Ca -0.10 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.21 2pqe n LYS 49 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.55 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 -0.42 0.47 0.79 2.58 0.00 -1.26 -4.99 105.19 102.36 2pqe n GLY 50 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.07 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 1.01 0.20 1.61 0.31 -1.26 -3.36 118.33 116.83 2pqe n VAL 51 Ca 0.00 -1.72 0.03 0.00 -0.01 0.00 0.00 64.34 62.64 2pqe n VAL 51 Cb 0.00 0.31 0.41 0.00 -0.91 0.00 0.00 33.84 33.65 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 0.64 0.00 -0.16 5.55 4.11 -1.96 -3.06 114.58 119.70 2pqe h GLU 52 Ca -0.08 0.00 -0.15 0.00 0.07 0.00 0.00 59.36 59.20 2pqe h GLU 52 Cb 1.37 0.00 -0.18 0.00 0.50 0.00 0.00 28.75 30.44 2pqe h GLU 52 CO 0.03 0.31 -0.71 0.36 0.07 0.00 0.00 179.01 179.07 2pqe n LYS 53 N -4.17 1.60 -3.41 1.06 0.00 -1.26 -4.96 118.16 107.02 2pqe n LYS 53 Ca -0.02 -3.19 -0.19 0.00 -0.00 0.00 0.00 58.31 54.92 2pqe n LYS 53 Cb 0.35 -1.38 0.08 0.00 -0.00 0.00 0.00 35.03 34.08 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 -0.67 -2.31 -0.02 5.58 4.02 -1.16 -4.77 117.16 117.83 2pqe n TYR 54 Ca 0.20 0.90 -0.16 0.00 -0.01 0.00 0.00 57.90 58.83 2pqe n TYR 54 Cb 0.84 -4.82 -0.10 0.00 -0.02 0.00 0.00 39.34 35.25 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 -2.08 0.44 1.71 2.72 0.00 -1.80 -1.59 103.07 102.46 2pqe h GLY 55 Ca -0.54 -0.67 -0.07 0.00 0.00 0.00 0.00 47.33 46.06 2pqe h GLY 55 CO 0.49 0.59 -0.16 0.00 0.00 0.00 0.00 176.54 177.46 2pqe h ALA 56 N 0.39 1.35 0.01 3.60 0.00 -1.92 -2.60 119.26 120.10 2pqe h ALA 56 Ca -0.04 -0.26 -0.20 0.00 0.00 0.00 0.00 54.91 54.41 2pqe h ALA 56 Cb 1.13 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 2pqe h ALA 56 CO 0.09 0.44 -0.93 1.49 0.00 0.00 0.00 179.25 180.34 2pqe h GLU 57 N 0.33 0.06 0.11 0.00 4.81 -1.91 -2.51 114.58 115.46 2pqe h GLU 57 Ca 0.06 -0.08 0.01 0.00 -0.13 0.00 0.00 59.36 59.22 2pqe h GLU 57 Cb 0.47 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.87 2pqe h GLU 57 CO 0.03 0.95 -0.12 0.00 -0.73 0.00 0.00 179.01 179.13 2pqe h ALA 58 N 1.02 -0.23 -0.31 2.92 0.00 -0.89 0.17 119.26 121.94 2pqe h ALA 58 Ca -0.03 -0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.71 2pqe h ALA 58 Cb 1.63 0.18 -0.00 0.00 0.00 0.00 0.00 17.79 19.60 2pqe h ALA 58 CO 0.13 -0.65 -0.38 0.66 0.00 0.00 0.00 179.25 179.01 2pqe h SER 59 N -0.27 0.87 -0.66 0.00 4.64 -1.62 -2.50 113.55 114.02 2pqe h SER 59 Ca 0.01 -0.49 0.04 0.00 -0.47 0.00 0.00 61.79 60.88 2pqe h SER 59 Cb 0.26 -0.25 -0.04 0.00 -0.31 0.00 0.00 62.40 62.07 2pqe h SER 59 CO -0.04 1.19 0.43 0.00 -0.87 0.00 0.00 176.83 177.54 2pqe h ALA 60 N 0.71 1.67 -0.06 5.18 0.00 -1.25 0.91 119.26 126.43 2pqe h ALA 60 Ca 0.04 -0.03 -0.20 0.00 0.00 0.00 0.00 54.91 54.72 2pqe h ALA 60 Cb 0.97 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.55 2pqe h ALA 60 CO 0.09 0.25 -0.80 0.35 0.00 0.00 0.00 179.25 179.14 2pqe h PHE 61 N 0.75 0.60 -0.08 0.00 3.04 -0.56 -2.50 116.94 118.20 2pqe h PHE 61 Ca 0.27 -0.29 -0.21 0.00 3.98 0.00 0.00 57.97 61.73 2pqe h PHE 61 Cb 0.13 -0.09 0.00 0.00 2.56 0.00 0.00 35.95 38.55 2pqe h PHE 61 CO -0.00 1.07 -0.80 1.15 -2.02 0.00 0.00 178.31 177.71 2pqe h THR 62 N 0.28 1.35 -0.18 4.41 2.02 -0.88 -2.17 112.91 117.74 2pqe h THR 62 Ca -0.05 -2.17 -0.19 0.00 0.77 0.00 0.00 66.41 64.78 2pqe h THR 62 Cb 1.40 2.15 0.00 0.00 -1.74 0.00 0.00 68.15 69.96 2pqe h THR 62 CO 0.14 0.66 -0.65 0.07 0.37 0.00 0.00 175.52 176.11 2pqe h LYS 63 N 0.33 0.68 -0.09 6.66 2.10 -0.88 -2.23 116.57 123.14 2pqe h LYS 63 Ca -0.05 -0.49 -0.22 0.00 -2.00 0.00 0.00 60.65 57.90 2pqe h LYS 63 Cb 1.40 0.08 0.01 0.00 -0.90 0.00 0.00 32.23 32.82 2pqe h LYS 63 CO 0.14 1.11 -0.82 1.57 -2.00 0.00 0.00 179.45 179.45 2pqe h LYS 64 N 0.50 0.59 -0.11 0.07 5.09 -1.50 0.39 116.57 121.60 2pqe h LYS 64 Ca -0.01 -0.52 -0.11 0.00 0.09 0.00 0.00 60.65 60.09 2pqe h LYS 64 Cb 1.24 0.12 -0.01 0.00 0.10 0.00 0.00 32.23 33.68 2pqe h LYS 64 CO 0.13 1.14 -0.41 1.98 -2.09 0.00 0.00 179.45 180.20 2pqe h MET 65 N 0.39 0.25 0.06 0.07 4.05 -1.42 -1.98 114.93 116.35 2pqe h MET 65 Ca -0.06 -0.12 -0.25 0.00 -0.28 0.00 0.00 59.70 58.99 2pqe h MET 65 Cb 1.43 -0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 32.21 2pqe h MET 65 CO 0.15 0.63 -1.33 -0.39 0.23 0.00 0.00 176.91 176.20 2pqe h VAL 66 N 0.21 0.97 -0.04 -5.77 -1.51 -1.38 -2.23 116.25 106.50 2pqe h VAL 66 Ca 0.02 -2.29 0.01 0.00 -1.23 0.00 0.00 66.70 63.21 2pqe h VAL 66 Cb 0.82 2.52 -0.00 0.00 -2.13 0.00 0.00 31.29 32.50 2pqe h VAL 66 CO 0.06 0.56 0.04 -0.33 -1.23 0.00 0.00 177.57 176.67 2pqe h GLU 67 N -0.60 0.00 0.11 5.19 4.39 -0.28 -2.36 114.58 121.05 2pqe h GLU 67 Ca -0.32 0.00 -0.35 0.00 0.34 0.00 0.00 59.36 59.03 2pqe h GLU 67 Cb 1.55 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 30.18 2pqe h GLU 67 CO -0.06 0.00 -1.94 0.09 -1.16 0.00 0.00 179.01 175.94 2pqe n ASN 68 N -4.04 2.11 -4.57 1.42 3.02 -0.75 -4.66 115.26 107.79 2pqe n ASN 68 Ca -0.02 0.23 -0.24 0.00 -0.03 0.00 0.00 54.58 54.51 2pqe n ASN 68 Cb 0.13 -0.87 -0.07 0.00 -0.61 0.00 0.00 39.78 38.36 2pqe n ASN 68 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2pqe s ALA 69 N -2.54 1.45 0.55 5.41 0.00 -0.84 -4.75 121.76 121.04 2pqe s ALA 69 Ca -0.23 -1.73 0.39 0.00 0.00 0.00 0.00 51.96 50.38 2pqe s ALA 69 Cb 0.07 -4.64 1.57 0.00 0.00 0.00 0.00 23.12 20.12 2pqe s ALA 69 CO 0.75 -5.43 1.76 0.87 0.00 0.00 0.00 175.76 173.71 2pqe h LYS 70 N 10.75 0.00 -5.01 0.00 1.79 -1.83 -3.34 116.57 118.93 2pqe h LYS 70 Ca 0.13 0.00 -0.66 0.00 -2.18 0.00 0.00 60.65 57.94 2pqe h LYS 70 Cb 0.97 0.00 -0.35 0.00 -1.58 0.00 0.00 32.23 31.27 2pqe h LYS 70 CO 1.17 0.00 -0.85 0.21 -1.08 0.00 0.00 179.45 178.90 2pqe s LYS 71 N -4.91 2.87 -0.09 3.15 2.36 -1.26 -4.79 119.74 117.06 2pqe s LYS 71 Ca -0.05 -0.85 0.03 0.00 -2.55 0.00 0.00 55.97 52.55 2pqe s LYS 71 Cb 0.23 -2.56 0.01 0.00 -1.05 0.00 0.00 37.83 34.45 2pqe s LYS 71 CO 0.81 -0.24 -0.20 0.42 1.55 0.00 0.00 175.35 177.68 2pqe s ILE 72 N 1.29 1.79 0.24 5.43 1.09 -1.23 0.88 121.20 130.69 2pqe s ILE 72 Ca 0.04 -0.85 0.11 0.00 -1.10 0.00 0.00 60.65 58.84 2pqe s ILE 72 Cb -0.14 -1.57 -0.05 0.00 -1.06 0.00 0.00 42.46 39.65 2pqe s ILE 72 CO -0.12 0.50 -0.16 -1.61 -0.10 0.00 0.00 174.94 173.45 2pqe s GLU 73 N 0.50 1.82 0.02 2.79 2.02 0.25 -1.78 118.70 124.31 2pqe s GLU 73 Ca -0.16 -1.56 -0.00 0.00 0.02 0.00 0.00 54.97 53.27 2pqe s GLU 73 Cb -0.17 -1.93 -0.02 0.00 0.10 0.00 0.00 34.13 32.11 2pqe s GLU 73 CO 0.06 0.37 -0.02 0.14 0.02 0.00 0.00 175.26 175.83 2pqe s VAL 74 N -2.13 0.09 -0.14 2.63 -7.23 -0.91 0.13 120.40 112.84 2pqe s VAL 74 Ca 0.27 -0.74 -0.00 0.00 -1.81 0.00 0.00 61.98 59.70 2pqe s VAL 74 Cb -0.07 -0.21 0.03 0.00 0.56 0.00 0.00 36.38 36.69 2pqe s VAL 74 CO 0.15 -0.41 -0.09 -0.70 -0.31 0.00 0.00 175.10 173.74 2pqe s GLU 75 N -1.19 1.75 0.34 4.82 2.12 -0.91 0.11 118.70 125.73 2pqe s GLU 75 Ca -0.13 -0.44 -0.21 0.00 0.36 0.00 0.00 54.97 54.55 2pqe s GLU 75 Cb -0.08 -1.88 -0.10 0.00 0.26 0.00 0.00 34.13 32.33 2pqe s GLU 75 CO -0.01 -0.31 0.87 -0.06 -0.54 0.00 0.00 175.26 175.21 2pqe s PHE 76 N 1.61 3.51 0.00 5.30 0.08 -1.26 -2.42 117.98 124.80 2pqe s PHE 76 Ca 0.04 1.56 0.00 0.00 0.12 0.00 0.00 56.93 58.64 2pqe s PHE 76 Cb -0.13 -2.77 0.00 0.00 -0.57 0.00 0.00 43.02 39.54 2pqe s PHE 76 CO -0.09 0.12 0.00 -0.40 -0.10 0.00 0.00 175.22 174.75 2pqe n ASP 77 N 0.07 0.00 -0.05 1.36 5.75 -1.26 -5.02 116.55 117.40 2pqe n ASP 77 Ca 0.03 -0.52 -0.01 0.00 -0.01 0.00 0.00 54.79 54.27 2pqe n ASP 77 Cb 0.52 0.00 -0.12 0.00 -1.03 0.00 0.00 41.12 40.49 2pqe n ASP 77 CO 0.00 0.00 0.00 2.29 -0.11 0.00 0.00 177.20 179.38 2pqe n LYS 78 N -0.52 1.13 0.00 0.11 0.00 -1.26 -4.86 118.16 112.76 2pqe n LYS 78 Ca 0.00 -0.06 0.00 0.00 -0.00 0.00 0.00 58.31 58.25 2pqe n LYS 78 Cb 0.00 -1.39 0.00 0.00 -0.00 0.00 0.00 35.03 33.64 2pqe n LYS 78 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2pqe n GLY 79 N 1.88 -1.66 3.59 2.58 0.00 -1.26 -4.87 105.19 105.46 2pqe n GLY 79 Ca -0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.51 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 3.48 -0.03 1.61 0.74 -1.26 -4.80 119.66 119.39 2pqe s GLN 80 Ca 0.00 -0.44 0.22 0.00 0.05 0.00 0.00 55.36 55.19 2pqe s GLN 80 Cb 0.00 -2.93 -0.34 0.00 1.10 0.00 0.00 33.01 30.84 2pqe s GLN 80 CO 0.00 0.42 0.49 -2.13 -0.55 0.00 0.00 175.29 173.52 2pqe n ARG 81 N 3.01 0.65 -3.56 1.67 0.63 -1.26 -4.75 116.66 113.04 2pqe n ARG 81 Ca -0.18 -0.20 -0.11 0.00 -0.92 0.00 0.00 57.85 56.45 2pqe n ARG 81 Cb 0.53 -1.52 -0.10 0.00 0.45 0.00 0.00 32.46 31.82 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 -3.51 -0.55 -0.85 5.15 -4.23 -1.26 -1.59 115.64 108.80 2pqe s THR 82 Ca -0.08 0.11 -0.11 0.00 -1.18 0.00 0.00 61.69 60.44 2pqe s THR 82 Cb 0.14 -0.64 -0.08 0.00 1.34 0.00 0.00 72.50 73.25 2pqe s THR 82 CO 0.91 0.01 2.02 -0.67 -0.54 0.00 0.00 174.62 176.35 2pqe n ASP 83 N 5.37 3.98 -2.46 3.99 -0.08 -1.26 -4.39 116.55 121.70 2pqe n ASP 83 Ca -0.06 -2.44 -0.06 0.00 -1.51 0.00 0.00 54.79 50.72 2pqe n ASP 83 Cb 0.50 -1.09 -0.00 0.00 2.34 0.00 0.00 41.12 42.86 2pqe n ASP 83 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 2pqe n LYS 84 N 5.18 -2.62 -0.27 -0.67 4.76 -1.26 -4.70 118.16 118.57 2pqe n LYS 84 Ca 0.45 0.28 0.01 0.00 -2.87 0.00 0.00 58.31 56.18 2pqe n LYS 84 Cb 0.22 -4.82 0.01 0.00 -1.84 0.00 0.00 35.03 28.60 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 -2.90 0.00 -1.53 2.13 4.02 -1.26 -4.99 117.16 112.63 2pqe n TYR 85 Ca -0.07 -0.13 -0.16 0.00 -0.01 0.00 0.00 57.90 57.53 2pqe n TYR 85 Cb 0.55 -0.04 -0.07 0.00 -0.02 0.00 0.00 39.34 39.76 2pqe n TYR 85 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2pqe n GLY 86 N -0.18 1.44 0.39 2.72 0.00 -1.26 -4.94 105.19 103.36 2pqe n GLY 86 Ca 0.02 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.01 2pqe n GLY 86 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pqe n ARG 87 N -2.13 -0.03 -3.33 1.61 5.12 -1.26 -4.86 116.66 111.78 2pqe n ARG 87 Ca -0.17 -0.22 -0.28 0.00 -1.93 0.00 0.00 57.85 55.26 2pqe n ARG 87 Cb 0.54 -0.13 -0.07 0.00 -1.16 0.00 0.00 32.46 31.65 2pqe n ARG 87 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2pqe n GLY 88 N 4.14 4.96 3.62 -0.13 0.00 0.55 -4.46 105.19 113.87 2pqe n GLY 88 Ca 0.02 -2.78 -0.48 0.00 0.00 0.00 0.00 46.02 42.78 2pqe n GLY 88 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2pqe n LEU 89 N 0.71 3.19 0.00 0.99 4.77 -0.62 -2.53 117.00 123.50 2pqe n LEU 89 Ca 0.30 0.73 0.00 0.00 -0.03 0.00 0.00 56.01 57.01 2pqe n LEU 89 Cb 0.40 -1.38 0.00 0.00 -2.33 0.00 0.00 43.42 40.11 2pqe n LEU 89 CO 0.41 -0.28 0.00 0.00 -1.33 0.00 0.00 177.39 176.19 2pqe n ALA 90 N 8.15 0.00 -1.85 -1.18 0.00 -0.44 -4.52 120.51 120.67 2pqe n ALA 90 Ca 0.27 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.33 2pqe n ALA 90 Cb 0.31 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.70 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 3.83 -0.08 0.00 1.51 -1.02 -1.87 117.35 117.71 2pqe s TYR 91 Ca 0.00 1.75 -0.04 0.00 -1.01 0.00 0.00 57.07 57.77 2pqe s TYR 91 Cb 0.00 -2.88 -0.04 0.00 -0.11 0.00 0.00 41.96 38.94 2pqe s TYR 91 CO 0.00 0.37 0.10 0.42 -1.11 0.00 0.00 175.55 175.33 2pqe s ILE 92 N -1.37 5.10 -0.08 2.71 -1.09 -1.26 -2.15 121.20 123.06 2pqe s ILE 92 Ca 0.43 -0.03 0.00 0.00 -2.23 0.00 0.00 60.65 58.83 2pqe s ILE 92 Cb -0.22 -3.24 0.02 0.00 -1.58 0.00 0.00 42.46 37.45 2pqe s ILE 92 CO 0.27 0.55 -0.06 -0.31 -1.23 0.00 0.00 174.94 174.16 2pqe s TYR 93 N -1.05 1.11 -0.26 3.97 2.02 0.35 -2.29 117.35 121.20 2pqe s TYR 93 Ca 0.17 -0.44 -0.08 0.00 -0.37 0.00 0.00 57.07 56.35 2pqe s TYR 93 Cb -0.12 -0.97 -0.02 0.00 -0.40 0.00 0.00 41.96 40.45 2pqe s TYR 93 CO 0.06 -0.35 0.08 0.00 -1.57 0.00 0.00 175.55 173.77 2pqe s ALA 94 N 1.41 3.18 -1.74 3.71 0.00 0.32 0.84 121.76 129.47 2pqe s ALA 94 Ca -0.02 -1.19 -0.14 0.00 0.00 0.00 0.00 51.96 50.61 2pqe s ALA 94 Cb -0.13 -2.13 0.14 0.00 0.00 0.00 0.00 23.12 21.00 2pqe s ALA 94 CO -0.04 -0.57 0.40 -0.25 0.00 0.00 0.00 175.76 175.30 2pqe n ASP 95 N 4.93 -0.91 0.00 0.00 9.92 0.26 0.15 116.55 130.90 2pqe n ASP 95 Ca -0.16 -1.23 0.00 0.00 -0.53 0.00 0.00 54.79 52.87 2pqe n ASP 95 Cb 0.51 -1.74 0.00 0.00 -0.64 0.00 0.00 41.12 39.25 2pqe n ASP 95 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2pqe n GLY 96 N -1.66 0.47 3.30 0.44 0.00 -1.26 -5.05 105.19 101.44 2pqe n GLY 96 Ca -0.06 -0.69 -0.31 0.00 0.00 0.00 0.00 46.02 44.96 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 -1.28 2.17 -0.25 1.61 2.47 0.40 -5.10 119.74 119.75 2pqe s LYS 97 Ca 0.00 -0.92 -0.26 0.00 -1.56 0.00 0.00 55.97 53.22 2pqe s LYS 97 Cb 0.00 -2.05 0.00 0.00 -1.46 0.00 0.00 37.83 34.32 2pqe s LYS 97 CO 0.00 0.53 0.92 -1.64 0.16 0.00 0.00 175.35 175.33 2pqe s MET 98 N -0.55 4.18 0.07 4.03 -1.94 -1.26 0.12 119.30 123.95 2pqe s MET 98 Ca 0.08 1.08 -0.16 0.00 -1.71 0.00 0.00 55.69 54.98 2pqe s MET 98 Cb -0.10 -3.66 -0.16 0.00 2.01 0.00 0.00 34.83 32.92 2pqe s MET 98 CO -0.00 -0.60 1.27 0.28 -0.01 0.00 0.00 175.02 175.96 2pqe h VAL 99 N 5.47 1.33 -0.90 -6.03 2.07 -1.84 -1.58 116.25 114.78 2pqe h VAL 99 Ca -0.21 -1.84 0.04 0.00 0.82 0.00 0.00 66.70 65.51 2pqe h VAL 99 Cb 1.08 2.06 -0.06 0.00 -1.52 0.00 0.00 31.29 32.85 2pqe h VAL 99 CO 0.93 0.57 0.58 -0.55 0.02 0.00 0.00 177.57 179.11 2pqe h ASN 100 N 0.29 0.95 -0.10 0.57 7.08 -1.92 0.02 115.58 122.47 2pqe h ASN 100 Ca -0.03 -0.00 -0.16 0.00 -3.08 0.00 0.00 56.30 53.02 2pqe h ASN 100 Cb 1.20 -0.21 0.01 0.00 -2.08 0.00 0.00 38.32 37.25 2pqe h ASN 100 CO 0.12 0.64 -0.58 -0.33 -2.08 0.00 0.00 177.43 175.20 2pqe h GLU 101 N 1.10 0.57 -0.87 4.14 5.08 -1.93 -2.31 114.58 120.36 2pqe h GLU 101 Ca 0.37 -0.48 0.03 0.00 -1.00 0.00 0.00 59.36 58.27 2pqe h GLU 101 Cb 0.04 0.11 -0.05 0.00 0.50 0.00 0.00 28.75 29.35 2pqe h GLU 101 CO -0.13 1.11 0.56 0.00 -1.00 0.00 0.00 179.01 179.55 2pqe h ALA 102 N 0.47 1.13 0.15 3.43 0.00 -0.90 0.85 119.26 124.38 2pqe h ALA 102 Ca -0.05 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 2pqe h ALA 102 Cb 1.23 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.71 2pqe h ALA 102 CO 0.12 0.44 -0.07 -0.07 0.00 0.00 0.00 179.25 179.66 2pqe h LEU 103 N 1.11 -0.18 -0.35 0.00 3.38 -1.04 -1.84 115.31 116.40 2pqe h LEU 103 Ca 0.34 -0.34 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 2pqe h LEU 103 Cb -0.04 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 2pqe h LEU 103 CO -0.10 0.29 0.10 0.58 0.09 0.00 0.00 178.44 179.40 2pqe h VAL 104 N -0.70 1.22 -0.14 1.22 2.07 -1.30 0.84 116.25 119.47 2pqe h VAL 104 Ca -0.02 -0.71 -0.00 0.00 0.82 0.00 0.00 66.70 66.78 2pqe h VAL 104 Cb 0.50 1.02 -0.01 0.00 -1.52 0.00 0.00 31.29 31.29 2pqe h VAL 104 CO 0.03 0.24 0.06 -0.09 0.02 0.00 0.00 177.57 177.84 2pqe h ARG 105 N 0.41 0.19 0.00 1.57 9.65 0.65 -1.77 114.38 125.08 2pqe h ARG 105 Ca 0.11 -0.01 -0.21 0.00 -1.10 0.00 0.00 59.98 58.77 2pqe h ARG 105 Cb 0.27 -0.04 -0.03 0.00 -1.39 0.00 0.00 29.97 28.78 2pqe h ARG 105 CO -0.00 0.15 -1.27 1.96 2.80 0.00 0.00 179.97 183.61 2pqe h GLN 106 N 0.19 0.00 0.00 0.20 7.50 -0.92 -3.46 115.11 118.62 2pqe h GLN 106 Ca 0.05 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.20 2pqe h GLN 106 Cb 0.03 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.56 2pqe h GLN 106 CO -0.01 0.55 0.00 0.41 -1.50 0.00 0.00 178.83 178.28 2pqe n GLY 107 N 1.41 0.92 0.00 3.46 0.00 0.14 -4.26 105.19 106.86 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 -4.32 0.99 4.32 0.25 -0.57 117.00 117.66 2pqe n LEU 108 Ca 0.00 0.00 -0.26 0.00 -0.02 0.00 0.00 56.01 55.73 2pqe n LEU 108 Cb 0.00 0.00 -0.13 0.00 -1.62 0.00 0.00 43.42 41.67 2pqe n LEU 108 CO 0.00 0.00 -0.54 0.00 -1.22 0.00 0.00 177.39 175.63 2pqe s ALA 109 N -1.79 2.02 0.36 -1.18 0.00 -1.13 -4.62 121.76 115.41 2pqe s ALA 109 Ca 0.00 -1.31 0.00 0.00 0.00 0.00 0.00 51.96 50.65 2pqe s ALA 109 Cb 0.00 -0.31 -0.00 0.00 0.00 0.00 0.00 23.12 22.81 2pqe s ALA 109 CO 0.00 0.43 0.00 0.36 0.00 0.00 0.00 175.76 176.56 2pqe n LYS 110 N 1.09 1.11 -2.84 0.00 -0.00 0.17 -3.78 118.16 113.91 2pqe n LYS 110 Ca -0.19 -2.61 -0.42 0.00 -0.00 0.00 0.00 58.31 55.09 2pqe n LYS 110 Cb 0.53 0.72 -0.04 0.00 -0.00 0.00 0.00 35.03 36.25 2pqe n LYS 110 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 2pqe s VAL 111 N -2.31 4.74 0.26 0.58 1.01 -1.26 -0.53 120.40 122.89 2pqe s VAL 111 Ca 0.01 1.49 0.16 0.00 0.00 0.00 0.00 61.98 63.64 2pqe s VAL 111 Cb 0.00 -4.20 0.10 0.00 0.00 0.00 0.00 36.38 32.28 2pqe s VAL 111 CO 0.00 -0.23 1.76 0.00 0.00 0.00 0.00 175.10 176.63 2pqe h ALA 112 N 7.91 1.10 -4.40 5.51 0.00 -1.66 -3.45 119.26 124.27 2pqe h ALA 112 Ca -0.23 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.32 2pqe h ALA 112 Cb 1.08 -0.07 -0.07 0.00 0.00 0.00 0.00 17.79 18.74 2pqe h ALA 112 CO 0.92 0.51 -1.09 0.66 0.00 0.00 0.00 179.25 180.25 2pqe n TYR 113 N -3.73 -3.67 -3.85 0.00 4.01 -1.26 -4.93 117.16 103.72 2pqe n TYR 113 Ca -0.01 2.16 -0.36 0.00 -0.16 0.00 0.00 57.90 59.53 2pqe n TYR 113 Cb 0.49 -3.44 -0.13 0.00 -0.31 0.00 0.00 39.34 35.94 2pqe n TYR 113 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 2pqe s VAL 114 N -0.50 3.42 -0.43 -0.72 1.01 -1.26 -4.97 120.40 116.94 2pqe s VAL 114 Ca -0.14 -0.98 0.04 0.00 0.00 0.00 0.00 61.98 60.90 2pqe s VAL 114 Cb 0.01 -2.81 0.64 0.00 0.00 0.00 0.00 36.38 34.22 2pqe s VAL 114 CO 0.39 0.05 1.86 0.00 0.00 0.00 0.00 175.10 177.40 2pqe n TYR 115 N 4.75 2.82 -0.05 5.22 0.18 -1.26 -4.26 117.16 124.56 2pqe n TYR 115 Ca -0.15 -1.85 -0.05 0.00 1.88 0.00 0.00 57.90 57.73 2pqe n TYR 115 Cb 0.46 -0.90 -0.07 0.00 -0.38 0.00 0.00 39.34 38.45 2pqe n TYR 115 CO 0.00 0.00 0.00 1.63 -2.08 0.00 0.00 176.86 176.41 2pqe n LYS 116 N -1.14 2.19 0.00 -3.48 4.76 -1.26 -5.01 118.16 114.22 2pqe n LYS 116 Ca 0.56 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 56.01 2pqe n LYS 116 Cb 1.57 -1.25 0.00 0.00 -1.84 0.00 0.00 35.03 33.51 2pqe n LYS 116 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2pqe n GLY 117 N 2.45 0.38 3.58 0.72 0.00 -1.26 -4.70 105.19 106.36 2pqe n GLY 117 Ca -0.17 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.65 2pqe n GLY 117 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2pqe s ASN 118 N 0.00 4.14 -0.30 1.61 3.04 -1.26 -3.98 114.94 118.20 2pqe s ASN 118 Ca 0.00 -1.20 0.20 0.00 0.04 0.00 0.00 52.86 51.89 2pqe s ASN 118 Cb 0.00 -2.59 0.48 0.00 -1.54 0.00 0.00 41.25 37.60 2pqe s ASN 118 CO 0.00 -3.99 1.02 -3.20 -3.04 0.00 0.00 177.10 167.89 2pqe n ASN 119 N 17.34 1.62 -0.10 -4.21 2.85 -1.26 -4.48 115.26 127.02 2pqe n ASN 119 Ca 0.43 -2.47 -0.19 0.00 -0.11 0.00 0.00 54.58 52.24 2pqe n ASN 119 Cb 0.47 -0.51 -0.09 0.00 1.24 0.00 0.00 39.78 40.89 2pqe n ASN 119 CO 0.00 0.00 0.00 0.41 -2.11 0.00 0.00 177.26 175.56 2pqe n THR 120 N -0.30 1.51 -0.42 -0.44 -1.04 -1.26 -4.34 114.28 107.98 2pqe n THR 120 Ca 0.09 -0.03 0.06 0.00 -2.04 0.00 0.00 64.05 62.13 2pqe n THR 120 Cb 0.81 -2.11 0.31 0.00 -1.82 0.00 0.00 70.33 67.52 2pqe n THR 120 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 2pqe n HIS 121 N -4.44 1.56 0.21 -1.42 8.25 -1.26 -4.39 115.22 113.73 2pqe n HIS 121 Ca -0.30 -0.55 0.14 0.00 -0.26 0.00 0.00 57.72 56.75 2pqe n HIS 121 Cb 0.62 -0.39 0.72 0.00 1.12 0.00 0.00 29.99 32.06 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 3.11 0.00 0.01 -0.41 4.57 -1.90 -2.09 114.58 117.87 2pqe h GLU 122 Ca 0.00 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.18 2pqe h GLU 122 Cb 1.59 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.18 2pqe h GLU 122 CO 0.36 0.00 -0.00 -0.56 -1.18 0.00 0.00 179.01 177.62 2pqe h GLN 123 N 0.00 -0.01 -0.15 1.92 3.07 -1.91 -2.66 115.11 115.38 2pqe h GLN 123 Ca 0.00 0.00 -0.13 0.00 0.09 0.00 0.00 58.65 58.61 2pqe h GLN 123 Cb 0.03 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.58 2pqe h GLN 123 CO 0.00 0.79 -0.47 1.37 0.09 0.00 0.00 178.83 180.60 2pqe h LEU 124 N -0.83 0.40 0.16 0.06 8.10 -1.81 -2.23 115.31 119.15 2pqe h LEU 124 Ca -0.00 -0.19 -0.01 0.00 0.11 0.00 0.00 57.88 57.79 2pqe h LEU 124 Cb 0.80 -0.11 0.00 0.00 -0.44 0.00 0.00 40.66 40.91 2pqe h LEU 124 CO 0.00 0.82 -0.08 -0.07 -4.11 0.00 0.00 178.44 175.00 2pqe h LEU 125 N 0.30 -0.18 -1.60 0.17 3.38 -1.50 -0.55 115.31 115.33 2pqe h LEU 125 Ca 0.02 -0.17 -0.03 0.00 0.09 0.00 0.00 57.88 57.78 2pqe h LEU 125 Cb 0.95 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.74 2pqe h LEU 125 CO 0.08 0.07 -0.09 -0.09 0.09 0.00 0.00 178.44 178.50 2pqe h ARG 126 N -0.44 0.13 -0.21 1.13 2.43 -1.48 0.32 114.38 116.26 2pqe h ARG 126 Ca -0.02 -0.02 -0.11 0.00 -0.81 0.00 0.00 59.98 59.02 2pqe h ARG 126 Cb 0.34 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 29.87 2pqe h ARG 126 CO 0.04 0.24 -0.29 -0.22 -1.51 0.00 0.00 179.97 178.22 2pqe h LYS 127 N 0.13 0.57 -0.29 0.20 1.63 -1.19 -1.07 116.57 116.55 2pqe h LYS 127 Ca 0.03 -0.33 -0.16 0.00 -0.85 0.00 0.00 60.65 59.34 2pqe h LYS 127 Cb 0.26 0.03 -0.00 0.00 -0.60 0.00 0.00 32.23 31.91 2pqe h LYS 127 CO 0.01 0.93 -0.45 0.77 -3.45 0.00 0.00 179.45 177.27 2pqe h SER 128 N 0.25 0.90 -0.21 4.20 0.02 -0.73 -2.29 113.55 115.70 2pqe h SER 128 Ca 0.02 -0.51 -0.09 0.00 -0.84 0.00 0.00 61.79 60.37 2pqe h SER 128 Cb 0.87 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 63.14 2pqe h SER 128 CO 0.07 1.24 -0.16 -0.08 -1.14 0.00 0.00 176.83 176.76 2pqe h GLU 129 N 0.59 0.63 -0.16 3.45 4.81 -0.98 -2.21 114.58 120.72 2pqe h GLU 129 Ca 0.03 -0.21 -0.04 0.00 -0.13 0.00 0.00 59.36 59.00 2pqe h GLU 129 Cb 1.05 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 30.37 2pqe h GLU 129 CO 0.10 0.76 -0.06 0.00 -0.73 0.00 0.00 179.01 179.08 2pqe h ALA 130 N 1.26 0.23 -0.57 2.92 0.00 -1.14 -0.45 119.26 121.51 2pqe h ALA 130 Ca 0.09 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 2pqe h ALA 130 Cb 0.59 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 2pqe h ALA 130 CO 0.04 0.02 0.33 1.96 0.00 0.00 0.00 179.25 181.59 2pqe h GLN 131 N 0.01 0.77 0.00 0.00 1.08 -1.33 -1.11 115.11 114.54 2pqe h GLN 131 Ca 0.04 -0.07 -0.17 0.00 -1.45 0.00 0.00 58.65 57.00 2pqe h GLN 131 Cb 0.52 -0.16 -0.02 0.00 -0.05 0.00 0.00 27.48 27.77 2pqe h GLN 131 CO 0.02 0.55 -0.79 0.00 -0.95 0.00 0.00 178.83 177.66 2pqe h ALA 132 N 1.58 0.66 0.06 3.87 0.00 -1.29 -2.04 119.26 122.09 2pqe h ALA 132 Ca 0.20 -0.72 -0.00 0.00 0.00 0.00 0.00 54.91 54.39 2pqe h ALA 132 Cb -0.01 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.66 2pqe h ALA 132 CO -0.04 0.99 -0.03 -0.22 0.00 0.00 0.00 179.25 179.95 2pqe h LYS 133 N 0.00 -0.07 0.00 0.00 3.11 -0.25 0.23 116.57 119.58 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 1.43 0.02 -0.01 0.00 -1.00 0.00 0.00 32.23 32.66 2pqe h LYS 133 CO 0.10 0.43 -0.44 0.87 -2.81 0.00 0.00 179.45 177.61 2pqe h LYS 134 N -0.62 0.00 0.00 1.90 6.56 -1.33 -2.75 116.57 120.33 2pqe h LYS 134 Ca -0.01 0.00 -0.06 0.00 -1.06 0.00 0.00 60.65 59.52 2pqe h LYS 134 Cb 0.54 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.19 2pqe h LYS 134 CO 0.01 0.44 -0.56 0.93 -2.06 0.00 0.00 179.45 178.21 2pqe h GLU 135 N 0.00 0.00 -5.77 3.15 4.39 -1.37 -3.48 114.58 111.49 2pqe h GLU 135 Ca -0.00 0.00 -0.35 0.00 0.34 0.00 0.00 59.36 59.35 2pqe h GLU 135 Cb 0.80 0.00 0.14 0.00 -0.10 0.00 0.00 28.75 29.59 2pqe h GLU 135 CO 0.06 0.22 -0.81 1.63 -1.16 0.00 0.00 179.01 178.94 2pqe n LYS 136 N -3.04 -4.99 0.00 2.33 4.76 0.78 -4.96 118.16 113.04 2pqe n LYS 136 Ca 0.01 0.76 0.00 0.00 -2.87 0.00 0.00 58.31 56.21 2pqe n LYS 136 Cb 0.65 -5.56 0.00 0.00 -1.84 0.00 0.00 35.03 28.28 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 -4.01 0.00 0.00 -0.35 4.77 -1.06 -4.47 117.00 111.89 2pqe n LEU 137 Ca -0.24 0.63 0.00 0.00 -0.03 0.00 0.00 56.01 56.37 2pqe n LEU 137 Cb 0.66 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 2pqe n LEU 137 CO 0.63 -0.13 0.00 0.59 -1.33 0.00 0.00 177.39 177.15 2pqe n ASN 138 N -0.91 0.00 -0.34 -1.43 3.02 -1.26 -4.74 115.26 109.60 2pqe n ASN 138 Ca 0.00 0.00 0.15 0.00 -0.03 0.00 0.00 54.58 54.70 2pqe n ASN 138 Cb 0.00 0.00 0.36 0.00 -0.61 0.00 0.00 39.78 39.53 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 0.68 -0.85 2.41 3.07 -1.14 0.24 117.51 121.92 2pqe h ILE 139 Ca 0.00 -0.24 -0.47 0.00 1.55 0.00 0.00 64.86 65.71 2pqe h ILE 139 Cb 0.00 -0.07 -0.26 0.00 -0.27 0.00 0.00 36.82 36.22 2pqe h ILE 139 CO 0.00 0.13 0.60 0.79 -1.05 0.00 0.00 178.15 178.61 2pqe n TRP 140 N -4.74 2.65 -1.51 0.16 5.03 -1.26 -4.30 117.44 113.48 2pqe n TRP 140 Ca 0.23 -1.84 -0.03 0.00 3.03 0.00 0.00 57.50 58.89 2pqe n TRP 140 Cb 0.62 -0.93 0.20 0.00 -1.03 0.00 0.00 31.31 30.17 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 -0.85 2.38 -1.67 -0.99 3.41 0.86 -4.20 113.62 112.56 2pqe n SER 141 Ca 0.52 -3.82 0.02 0.00 -0.26 0.00 0.00 58.87 55.32 2pqe n SER 141 Cb 1.36 -0.61 0.02 0.00 -0.26 0.00 0.00 64.21 64.71 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 0.28 -2.97 4.33 0.28 -1.26 -4.96 120.64 115.22 2pqe n GLU 142 Ca 0.31 -2.10 -0.13 0.00 -0.16 0.00 0.00 57.16 55.08 2pqe n GLU 142 Cb 0.97 -0.17 -0.02 0.00 1.43 0.00 0.00 31.44 33.65 2pqe n GLU 142 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 2pqe n ASP 143 N 0.24 -2.15 -4.80 -1.84 2.03 -1.26 -5.14 116.55 103.63 2pqe n ASP 143 Ca 0.02 -2.84 -0.33 0.00 0.52 0.00 0.00 54.79 52.16 2pqe n ASP 143 Cb 1.05 0.90 -0.00 0.00 -0.72 0.00 0.00 41.12 42.34 2pqe n ASP 143 CO 0.00 0.00 0.00 0.20 -1.92 0.00 0.00 177.20 175.48 2pqe s ASN 144 N -0.15 5.95 -1.20 1.67 0.01 -1.26 -4.91 114.94 115.05 2pqe s ASN 144 Ca 0.32 1.89 -0.21 0.00 -0.71 0.00 0.00 52.86 54.14 2pqe s ASN 144 Cb 0.08 -2.55 -0.06 0.00 0.41 0.00 0.00 41.25 39.14 2pqe s ASN 144 CO -0.14 -1.05 1.89 0.00 -1.51 0.00 0.00 177.10 176.29 2pqe n ALA 145 N -1.62 2.33 -0.98 0.60 0.00 -1.26 -4.94 120.51 114.64 2pqe n ALA 145 Ca 0.09 -3.23 -0.29 0.00 0.00 0.00 0.00 53.44 50.01 2pqe n ALA 145 Cb 0.53 -3.52 0.22 0.00 0.00 0.00 0.00 19.45 16.68 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 5.85 1.42 -0.90 0.00 -1.08 -1.26 -4.90 116.67 115.79 2pqe s ASP 146 Ca 0.64 0.99 -0.25 0.00 -0.52 0.00 0.00 52.55 53.42 2pqe s ASP 146 Cb 0.01 -1.51 0.03 0.00 -1.46 0.00 0.00 42.92 40.00 2pqe s ASP 146 CO 0.12 -3.86 1.46 -0.55 0.52 0.00 0.00 175.17 172.87 2pqe s SER 147 N -3.45 6.21 0.00 -0.34 0.15 -1.26 -4.70 113.70 110.31 2pqe s SER 147 Ca 0.68 -0.98 0.00 0.00 0.70 0.00 0.00 55.95 56.35 2pqe s SER 147 Cb -0.16 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 61.59 2pqe s SER 147 CO 0.58 -1.77 0.00 0.61 1.20 0.00 0.00 173.24 173.86 2pqe n GLY 148 N 6.36 2.41 0.72 9.45 0.00 -1.26 -5.32 105.19 117.54 2pqe n GLY 148 Ca 0.24 -1.37 0.13 0.00 0.00 0.00 0.00 46.02 45.02 2pqe n GLY 148 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26