#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 -1.58 0.00 -2.24 -1.26 -5.17 114.28 104.03 2pqe n THR 2 Ca 0.00 -1.78 -0.29 0.00 -2.27 0.00 0.00 64.05 59.71 2pqe n THR 2 Cb 0.00 1.11 0.14 0.00 -2.10 0.00 0.00 70.33 69.48 2pqe n THR 2 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2pqe s SER 3 N -3.19 3.39 -0.17 3.42 0.15 -1.26 -5.04 113.70 111.01 2pqe s SER 3 Ca 0.29 0.85 -0.09 0.00 0.70 0.00 0.00 55.95 57.71 2pqe s SER 3 Cb -0.01 -1.35 -0.07 0.00 -1.71 0.00 0.00 66.02 62.88 2pqe s SER 3 CO 0.21 -2.61 -0.22 0.41 1.20 0.00 0.00 173.24 172.23 2pqe n THR 4 N -3.79 0.95 -1.78 6.45 -1.04 -1.26 -5.00 114.28 108.81 2pqe n THR 4 Ca 0.08 -0.22 -0.41 0.00 -2.04 0.00 0.00 64.05 61.46 2pqe n THR 4 Cb 0.59 -1.75 -0.00 0.00 -1.82 0.00 0.00 70.33 67.36 2pqe n THR 4 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 2pqe n LYS 5 N -3.78 2.69 -3.81 -2.82 5.02 -1.26 -4.98 118.16 109.22 2pqe n LYS 5 Ca -0.32 0.94 -0.36 0.00 -2.02 0.00 0.00 58.31 56.55 2pqe n LYS 5 Cb 0.72 -2.68 -0.12 0.00 -0.02 0.00 0.00 35.03 32.93 2pqe n LYS 5 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 2pqe s LYS 6 N -2.11 1.97 -0.35 1.97 0.00 -1.26 -4.91 119.74 115.05 2pqe s LYS 6 Ca 0.53 -1.79 0.00 0.00 0.00 0.00 0.00 55.97 54.71 2pqe s LYS 6 Cb -0.47 -3.52 0.29 0.00 0.00 0.00 0.00 37.83 34.13 2pqe s LYS 6 CO 0.64 -1.03 1.25 1.47 0.00 0.00 0.00 175.35 177.68 2pqe n LEU 7 N 4.56 -1.46 -4.53 2.77 -0.00 -1.26 -5.14 117.00 111.93 2pqe n LEU 7 Ca -0.02 -2.01 -0.37 0.00 -0.00 0.00 0.00 56.01 53.61 2pqe n LEU 7 Cb 0.42 0.71 -0.11 0.00 -0.00 0.00 0.00 43.42 44.43 2pqe n LEU 7 CO 0.31 1.64 -0.24 -2.28 -0.00 0.00 0.00 177.39 176.82 2pqe s HIS 8 N 0.15 3.16 0.57 1.47 2.46 -1.26 -5.09 115.29 116.75 2pqe s HIS 8 Ca 0.25 -0.15 -0.16 0.00 0.47 0.00 0.00 55.06 55.48 2pqe s HIS 8 Cb 0.24 -2.25 -0.05 0.00 -0.13 0.00 0.00 32.58 30.39 2pqe s HIS 8 CO -0.13 -0.19 1.03 0.15 -2.47 0.00 0.00 174.74 173.14 2pqe s LYS 9 N 1.39 3.55 -0.30 2.88 3.01 -1.26 -4.78 119.74 124.22 2pqe s LYS 9 Ca 0.06 1.07 -0.17 0.00 -1.01 0.00 0.00 55.97 55.92 2pqe s LYS 9 Cb -0.15 -2.07 0.19 0.00 -1.01 0.00 0.00 37.83 34.79 2pqe s LYS 9 CO 0.05 -0.61 1.20 -2.00 0.51 0.00 0.00 175.35 174.50 2pqe s GLU 10 N -4.18 0.11 0.00 1.68 2.12 -0.06 -4.77 118.70 113.60 2pqe s GLU 10 Ca 0.61 0.23 0.00 0.00 0.36 0.00 0.00 54.97 56.17 2pqe s GLU 10 Cb -0.13 0.07 0.00 0.00 0.26 0.00 0.00 34.13 34.33 2pqe s GLU 10 CO 0.37 -0.03 0.00 0.00 -0.54 0.00 0.00 175.26 175.06 2pqe n ALA 11 N 3.79 0.55 0.00 6.30 0.00 -1.25 -2.31 120.51 127.59 2pqe n ALA 11 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.31 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 -3.15 0.00 0.00 -1.02 -4.08 120.51 109.26 2pqe n ALA 12 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 2pqe n ALA 12 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.34 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 0.02 -0.29 0.00 2.01 -1.06 -4.25 115.64 112.07 2pqe s THR 13 Ca 0.00 -0.13 -0.15 0.00 0.31 0.00 0.00 61.69 61.73 2pqe s THR 13 Cb 0.00 -0.39 -0.03 0.00 0.01 0.00 0.00 72.50 72.08 2pqe s THR 13 CO 0.00 -0.07 0.36 -0.22 -0.69 0.00 0.00 174.62 174.00 2pqe s LEU 14 N -0.19 4.14 -0.05 4.42 1.98 -1.26 0.14 118.68 127.87 2pqe s LEU 14 Ca -0.03 0.13 -0.14 0.00 -2.89 0.00 0.00 54.13 51.19 2pqe s LEU 14 Cb -0.03 -2.38 -0.09 0.00 0.66 0.00 0.00 46.19 44.36 2pqe s LEU 14 CO 0.01 -0.22 0.59 0.40 -1.89 0.00 0.00 176.35 175.24 2pqe h ILE 15 N 5.43 0.14 -1.34 6.68 5.03 -0.91 -3.48 117.51 129.07 2pqe h ILE 15 Ca -0.31 -0.74 0.14 0.00 -0.12 0.00 0.00 64.86 63.83 2pqe h ILE 15 Cb 1.16 0.23 -0.27 0.00 -3.03 0.00 0.00 36.82 34.91 2pqe h ILE 15 CO 0.65 0.04 0.69 -0.75 -0.68 0.00 0.00 178.15 178.10 2pqe s LYS 16 N -3.12 0.32 0.52 2.37 2.47 -1.02 -5.01 119.74 116.27 2pqe s LYS 16 Ca -0.08 0.22 -0.18 0.00 -1.56 0.00 0.00 55.97 54.38 2pqe s LYS 16 Cb 0.01 0.15 -0.07 0.00 -1.46 0.00 0.00 37.83 36.46 2pqe s LYS 16 CO 0.25 -0.07 1.01 0.00 0.16 0.00 0.00 175.35 176.70 2pqe s ALA 17 N -0.43 2.92 -0.10 3.13 0.00 -1.26 0.29 121.76 126.31 2pqe s ALA 17 Ca 0.04 0.36 0.01 0.00 0.00 0.00 0.00 51.96 52.37 2pqe s ALA 17 Cb -0.03 -3.18 -0.07 0.00 0.00 0.00 0.00 23.12 19.84 2pqe s ALA 17 CO -0.07 -0.38 -0.09 -0.89 0.00 0.00 0.00 175.76 174.33 2pqe n ILE 18 N -1.48 0.58 -2.72 0.00 5.41 0.39 -4.81 119.36 116.73 2pqe n ILE 18 Ca 0.08 -0.22 -0.08 0.00 1.00 0.00 0.00 62.75 63.52 2pqe n ILE 18 Cb 0.53 -0.86 0.10 0.00 -0.71 0.00 0.00 39.64 38.71 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 -2.78 -1.96 0.00 4.38 8.00 0.28 -4.96 116.55 119.51 2pqe n ASP 19 Ca -0.18 -2.96 0.00 0.00 0.71 0.00 0.00 54.79 52.36 2pqe n ASP 19 Cb 0.69 1.32 0.00 0.00 -0.02 0.00 0.00 41.12 43.11 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 -0.20 0.50 0.08 0.44 0.00 -1.24 -3.34 105.19 101.42 2pqe n GLY 20 Ca 0.01 -0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.93 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 0.12 -3.35 1.61 2.03 -1.91 -3.42 116.42 111.50 2pqe h ASP 21 Ca 0.00 -0.14 -0.72 0.00 -0.73 0.00 0.00 57.03 55.43 2pqe h ASP 21 Cb 0.00 -0.04 -0.21 0.00 -0.83 0.00 0.00 39.33 38.25 2pqe h ASP 21 CO 0.00 1.12 -0.28 -0.89 -1.03 0.00 0.00 179.24 178.16 2pqe s THR 22 N -2.67 5.17 0.05 1.15 2.01 -1.21 0.91 115.64 121.04 2pqe s THR 22 Ca -0.02 -0.84 0.05 0.00 0.31 0.00 0.00 61.69 61.19 2pqe s THR 22 Cb 0.09 -4.11 -0.03 0.00 0.01 0.00 0.00 72.50 68.46 2pqe s THR 22 CO 0.84 -0.55 -0.13 0.68 -0.69 0.00 0.00 174.62 174.76 2pqe s VAL 23 N 1.85 1.06 -0.53 3.82 -7.23 0.17 0.15 120.40 119.68 2pqe s VAL 23 Ca 0.07 -1.14 -0.25 0.00 -1.81 0.00 0.00 61.98 58.86 2pqe s VAL 23 Cb -0.22 -1.00 0.04 0.00 0.56 0.00 0.00 36.38 35.76 2pqe s VAL 23 CO 0.09 -0.13 0.95 -0.54 -0.31 0.00 0.00 175.10 175.16 2pqe s LYS 24 N -1.44 3.38 -0.10 4.82 -0.14 0.14 0.11 119.74 126.52 2pqe s LYS 24 Ca -0.01 -0.15 0.00 0.00 -1.36 0.00 0.00 55.97 54.45 2pqe s LYS 24 Cb -0.09 -4.03 -0.02 0.00 -1.68 0.00 0.00 37.83 32.01 2pqe s LYS 24 CO 0.02 -1.44 -0.10 -1.17 -0.76 0.00 0.00 175.35 171.89 2pqe s LEU 25 N 3.97 2.91 -0.76 3.17 0.20 0.44 -0.17 118.68 128.44 2pqe s LEU 25 Ca 0.32 -0.19 -0.23 0.00 0.69 0.00 0.00 54.13 54.72 2pqe s LEU 25 Cb -0.12 -1.64 0.07 0.00 -0.43 0.00 0.00 46.19 44.07 2pqe s LEU 25 CO 0.21 0.25 1.09 -0.32 -0.29 0.00 0.00 176.35 177.30 2pqe s MET 26 N -0.17 3.26 -0.04 1.98 -2.45 0.38 -0.90 119.30 121.37 2pqe s MET 26 Ca 0.01 -0.95 -0.06 0.00 -1.25 0.00 0.00 55.69 53.44 2pqe s MET 26 Cb -0.13 -4.47 -0.04 0.00 1.25 0.00 0.00 34.83 31.44 2pqe s MET 26 CO 0.03 -1.90 0.21 -0.47 1.05 0.00 0.00 175.02 173.94 2pqe s TYR 27 N 4.16 3.58 -0.46 4.11 6.14 0.22 -2.56 117.35 132.53 2pqe s TYR 27 Ca 0.29 0.50 0.00 0.00 0.64 0.00 0.00 57.07 58.50 2pqe s TYR 27 Cb -0.11 -1.93 0.00 0.00 0.42 0.00 0.00 41.96 40.33 2pqe s TYR 27 CO 0.05 0.66 0.00 0.36 0.64 0.00 0.00 175.55 177.26 2pqe n LYS 28 N 1.33 -2.35 -0.77 4.97 2.85 -1.26 0.12 118.16 123.06 2pqe n LYS 28 Ca -0.14 0.26 0.00 0.00 -1.05 0.00 0.00 58.31 57.38 2pqe n LYS 28 Cb 0.53 -4.71 0.00 0.00 -0.65 0.00 0.00 35.03 30.20 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 -0.52 0.53 2.81 2.58 0.00 -1.26 -5.05 105.19 104.28 2pqe n GLY 29 Ca -0.06 -0.77 -0.21 0.00 0.00 0.00 0.00 46.02 44.98 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 -1.43 0.58 -0.27 1.61 -2.07 0.33 -5.10 119.66 113.31 2pqe s GLN 30 Ca 0.00 0.06 -0.29 0.00 -1.82 0.00 0.00 55.36 53.31 2pqe s GLN 30 Cb 0.00 -0.82 -0.02 0.00 -1.09 0.00 0.00 33.01 31.08 2pqe s GLN 30 CO 0.00 -0.21 1.58 0.00 -1.32 0.00 0.00 175.29 175.33 2pqe s ALA 31 N 1.52 3.20 0.10 2.60 0.00 -1.26 -0.61 121.76 127.31 2pqe s ALA 31 Ca -0.02 0.32 0.05 0.00 0.00 0.00 0.00 51.96 52.31 2pqe s ALA 31 Cb -0.13 -3.87 -0.03 0.00 0.00 0.00 0.00 23.12 19.08 2pqe s ALA 31 CO -0.03 -2.07 -0.13 0.00 0.00 0.00 0.00 175.76 173.53 2pqe s MET 32 N 4.77 0.92 -0.40 0.00 0.00 -0.08 -4.95 119.30 119.56 2pqe s MET 32 Ca 0.69 -1.13 -0.29 0.00 0.00 0.00 0.00 55.69 54.96 2pqe s MET 32 Cb -0.22 -0.80 0.02 0.00 0.00 0.00 0.00 34.83 33.83 2pqe s MET 32 CO 0.29 0.16 1.12 0.99 0.00 0.00 0.00 175.02 177.58 2pqe s THR 33 N -1.93 4.33 -0.17 3.16 2.01 -1.26 -0.42 115.64 121.37 2pqe s THR 33 Ca 0.05 1.45 -0.10 0.00 0.31 0.00 0.00 61.69 63.40 2pqe s THR 33 Cb -0.06 -4.50 -0.05 0.00 0.01 0.00 0.00 72.50 67.90 2pqe s THR 33 CO 0.02 -0.76 0.16 -0.36 -0.69 0.00 0.00 174.62 172.99 2pqe s PHE 34 N 4.11 3.48 -0.18 4.92 0.40 0.30 -0.25 117.98 130.76 2pqe s PHE 34 Ca 0.47 0.44 -0.01 0.00 -0.60 0.00 0.00 56.93 57.24 2pqe s PHE 34 Cb -0.10 -2.12 0.00 0.00 0.51 0.00 0.00 43.02 41.32 2pqe s PHE 34 CO 0.24 0.43 -0.14 1.03 0.70 0.00 0.00 175.22 177.48 2pqe s ARG 35 N -0.09 3.18 -0.07 0.44 0.52 -1.05 0.43 118.95 122.32 2pqe s ARG 35 Ca 0.12 -0.74 -0.36 0.00 -0.52 0.00 0.00 55.73 54.22 2pqe s ARG 35 Cb -0.12 -2.70 -0.14 0.00 0.52 0.00 0.00 34.95 32.51 2pqe s ARG 35 CO 0.01 -0.11 1.73 1.28 0.02 0.00 0.00 175.30 178.23 2pqe n LEU 36 N 4.42 2.90 -4.74 2.53 4.77 0.26 0.89 117.00 128.04 2pqe n LEU 36 Ca -0.19 1.04 -0.41 0.00 -0.03 0.00 0.00 56.01 56.41 2pqe n LEU 36 Cb 0.51 -1.30 -0.04 0.00 -2.33 0.00 0.00 43.42 40.26 2pqe n LEU 36 CO 0.28 -0.31 0.75 -0.76 -1.33 0.00 0.00 177.39 176.02 2pqe s LEU 37 N 2.94 4.50 -1.93 2.23 1.43 -0.73 -3.40 118.68 123.72 2pqe s LEU 37 Ca 0.91 2.01 0.00 0.00 -1.03 0.00 0.00 54.13 56.02 2pqe s LEU 37 Cb -0.82 -3.60 0.00 0.00 0.03 0.00 0.00 46.19 41.80 2pqe s LEU 37 CO 0.52 -0.16 0.00 0.18 0.23 0.00 0.00 176.35 177.12 2pqe n LEU 38 N 2.40 -1.81 -4.00 1.79 4.77 -1.26 -4.81 117.00 114.07 2pqe n LEU 38 Ca 0.02 0.16 -0.09 0.00 -0.03 0.00 0.00 56.01 56.08 2pqe n LEU 38 Cb 0.47 -2.92 -0.11 0.00 -2.33 0.00 0.00 43.42 38.53 2pqe n LEU 38 CO 0.53 -0.51 -0.35 -0.69 -1.33 0.00 0.00 177.39 175.04 2pqe s VAL 39 N -2.95 0.14 -0.19 4.08 1.01 -1.22 -2.53 120.40 118.74 2pqe s VAL 39 Ca 0.00 -1.13 -0.04 0.00 0.00 0.00 0.00 61.98 60.81 2pqe s VAL 39 Cb 0.00 -0.59 0.06 0.00 0.00 0.00 0.00 36.38 35.86 2pqe s VAL 39 CO 0.00 -0.62 0.07 -1.81 0.00 0.00 0.00 175.10 172.74 2pqe s ASP 40 N -1.83 2.70 -0.56 3.32 1.11 0.29 -4.27 116.67 117.42 2pqe s ASP 40 Ca -0.10 -0.78 0.07 0.00 0.18 0.00 0.00 52.55 51.92 2pqe s ASP 40 Cb -0.05 -0.40 0.29 0.00 1.07 0.00 0.00 42.92 43.83 2pqe s ASP 40 CO -0.03 -0.34 0.79 0.41 1.18 0.00 0.00 175.17 177.18 2pqe n THR 41 N 5.18 1.98 0.00 -1.27 -1.04 -1.26 0.01 114.28 117.87 2pqe n THR 41 Ca -0.07 -5.14 0.00 0.00 -2.04 0.00 0.00 64.05 56.79 2pqe n THR 41 Cb 0.48 -1.62 0.00 0.00 -1.82 0.00 0.00 70.33 67.37 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 0.45 0.00 -2.65 2.41 0.00 -1.26 -3.71 120.51 115.74 2pqe n ALA 42 Ca 0.29 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.70 2pqe n ALA 42 Cb 0.45 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.94 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 -0.23 0.02 -3.86 0.00 4.07 -1.26 -5.04 120.64 114.34 2pqe n GLU 43 Ca 0.00 -0.56 -0.30 0.00 -0.06 0.00 0.00 57.16 56.24 2pqe n GLU 43 Cb 0.00 0.37 -0.11 0.00 -0.06 0.00 0.00 31.44 31.64 2pqe n GLU 43 CO 0.00 0.00 0.00 0.95 -0.06 0.00 0.00 177.13 178.02 2pqe s THR 44 N 0.90 3.11 0.00 6.31 -4.23 -1.26 -4.71 115.64 115.77 2pqe s THR 44 Ca 0.23 -3.95 0.09 0.00 -1.18 0.00 0.00 61.69 56.87 2pqe s THR 44 Cb 0.16 -3.04 0.14 0.00 1.34 0.00 0.00 72.50 71.10 2pqe s THR 44 CO -0.11 -0.97 1.00 2.29 -0.54 0.00 0.00 174.62 176.29 2pqe n LYS 45 N 2.34 0.00 -0.02 3.99 -0.00 -1.26 -4.91 118.16 118.30 2pqe n LYS 45 Ca 0.16 -1.21 -0.03 0.00 -0.00 0.00 0.00 58.31 57.23 2pqe n LYS 45 Cb 0.35 0.20 -0.03 0.00 -0.00 0.00 0.00 35.03 35.55 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 0.16 0.00 -3.06 5.58 8.25 -1.26 -5.04 115.22 119.86 2pqe n HIS 46 Ca -0.11 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.17 2pqe n HIS 46 Cb 0.82 -0.20 0.04 0.00 1.12 0.00 0.00 29.99 31.78 2pqe n HIS 46 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 2pqe n THR 47 N -2.49 -1.84 0.19 1.59 -1.04 -1.26 -4.94 114.28 104.49 2pqe n THR 47 Ca -0.08 0.00 -0.14 0.00 -2.04 0.00 0.00 64.05 61.78 2pqe n THR 47 Cb 0.61 -3.09 -0.08 0.00 -1.82 0.00 0.00 70.33 65.95 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 -1.51 -0.44 0.00 -2.82 3.64 -1.98 -3.47 116.57 109.99 2pqe h LYS 48 Ca -0.40 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.01 2pqe h LYS 48 Cb 1.27 0.10 0.00 0.00 -0.41 0.00 0.00 32.23 33.19 2pqe h LYS 48 CO 0.41 -0.17 0.00 0.36 -2.27 0.00 0.00 179.45 177.79 2pqe n LYS 49 N -5.20 0.00 0.00 1.90 -0.00 -1.26 -5.04 118.16 108.57 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 0.26 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.29 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 -1.01 0.00 0.69 2.58 0.00 -1.26 -5.08 105.19 101.11 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 0.00 0.00 1.61 0.31 -1.26 -4.89 118.33 114.10 2pqe n VAL 51 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2pqe n VAL 51 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 2pqe n VAL 51 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2pqe n GLU 52 N -1.52 0.00 0.00 5.55 1.02 -1.26 -3.16 120.64 121.27 2pqe n GLU 52 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 2pqe n GLU 52 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 2pqe n GLU 52 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 2pqe n LYS 53 N 0.00 0.00 -3.08 3.49 -0.00 -1.26 -4.95 118.16 112.37 2pqe n LYS 53 Ca 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 58.31 58.17 2pqe n LYS 53 Cb 0.00 0.00 0.04 0.00 -0.00 0.00 0.00 35.03 35.07 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 0.00 -1.65 0.06 5.58 4.01 -1.23 -4.65 117.16 119.28 2pqe n TYR 54 Ca 0.00 0.56 -0.21 0.00 -0.16 0.00 0.00 57.90 58.08 2pqe n TYR 54 Cb 0.00 -3.40 -0.15 0.00 -0.31 0.00 0.00 39.34 35.48 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 -1.49 0.39 1.01 2.72 0.00 -1.86 -2.43 103.07 101.41 2pqe h GLY 55 Ca -0.34 -1.00 0.00 0.00 0.00 0.00 0.00 47.33 45.99 2pqe h GLY 55 CO 0.34 0.88 0.46 0.00 0.00 0.00 0.00 176.54 178.22 2pqe h ALA 56 N 0.07 0.91 0.00 3.60 0.00 -1.91 -2.07 119.26 119.86 2pqe h ALA 56 Ca -0.21 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.53 2pqe h ALA 56 Cb 1.80 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 19.29 2pqe h ALA 56 CO 0.16 0.35 -0.50 1.49 0.00 0.00 0.00 179.25 180.75 2pqe h GLU 57 N 0.97 0.00 -0.62 0.00 4.81 -1.95 -3.20 114.58 114.59 2pqe h GLU 57 Ca 0.26 0.00 0.06 0.00 -0.13 0.00 0.00 59.36 59.55 2pqe h GLU 57 Cb -0.08 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.24 2pqe h GLU 57 CO -0.05 0.50 0.33 0.00 -0.73 0.00 0.00 179.01 179.05 2pqe h ALA 58 N 1.50 0.83 -0.13 2.92 0.00 -0.85 0.16 119.26 123.69 2pqe h ALA 58 Ca -0.00 0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.79 2pqe h ALA 58 Cb 1.15 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 2pqe h ALA 58 CO 0.06 -0.01 -0.51 0.66 0.00 0.00 0.00 179.25 179.45 2pqe h SER 59 N 0.61 0.39 -0.14 0.00 4.64 -1.54 -2.68 113.55 114.83 2pqe h SER 59 Ca 0.28 -0.20 -0.04 0.00 -0.47 0.00 0.00 61.79 61.37 2pqe h SER 59 Cb 0.20 -0.11 -0.00 0.00 -0.31 0.00 0.00 62.40 62.17 2pqe h SER 59 CO -0.19 0.84 -0.05 0.00 -0.87 0.00 0.00 176.83 176.55 2pqe h ALA 60 N 1.18 0.20 -0.66 5.18 0.00 -1.31 0.29 119.26 124.13 2pqe h ALA 60 Ca 0.01 -0.25 0.02 0.00 0.00 0.00 0.00 54.91 54.69 2pqe h ALA 60 Cb 1.00 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.70 2pqe h ALA 60 CO 0.09 -0.03 0.43 0.35 0.00 0.00 0.00 179.25 180.09 2pqe h PHE 61 N -0.04 0.81 -0.06 0.00 3.04 -0.72 0.16 116.94 120.13 2pqe h PHE 61 Ca 0.03 0.02 -0.20 0.00 3.98 0.00 0.00 57.97 61.81 2pqe h PHE 61 Cb 0.50 -0.27 -0.00 0.00 2.56 0.00 0.00 35.95 38.74 2pqe h PHE 61 CO 0.06 0.49 -0.80 1.15 -2.02 0.00 0.00 178.31 177.19 2pqe h THR 62 N 0.86 1.38 -0.21 4.41 2.02 -1.45 -1.68 112.91 118.24 2pqe h THR 62 Ca 0.25 -2.22 -0.05 0.00 0.77 0.00 0.00 66.41 65.16 2pqe h THR 62 Cb -0.05 2.19 -0.01 0.00 -1.74 0.00 0.00 68.15 68.54 2pqe h THR 62 CO -0.07 0.67 -0.05 0.11 0.37 0.00 0.00 175.52 176.54 2pqe h LYS 63 N 0.28 0.41 -0.24 6.66 1.57 0.01 0.74 116.57 126.00 2pqe h LYS 63 Ca -0.05 -0.16 -0.20 0.00 -1.87 0.00 0.00 60.65 58.38 2pqe h LYS 63 Cb 1.39 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.68 2pqe h LYS 63 CO 0.14 0.66 -0.63 1.57 -0.57 0.00 0.00 179.45 180.62 2pqe h LYS 64 N 0.14 0.84 -0.13 3.15 5.09 -0.75 0.18 116.57 125.09 2pqe h LYS 64 Ca 0.05 -0.58 -0.17 0.00 0.09 0.00 0.00 60.65 60.04 2pqe h LYS 64 Cb 0.50 0.09 -0.01 0.00 0.10 0.00 0.00 32.23 32.91 2pqe h LYS 64 CO 0.02 1.21 -0.63 1.98 -2.09 0.00 0.00 179.45 179.94 2pqe h MET 65 N 0.62 0.46 0.20 0.07 4.05 -1.32 -1.70 114.93 117.30 2pqe h MET 65 Ca -0.01 -0.33 -0.32 0.00 -0.28 0.00 0.00 59.70 58.77 2pqe h MET 65 Cb 1.24 0.05 0.02 0.00 -0.80 0.00 0.00 31.60 32.11 2pqe h MET 65 CO 0.13 0.95 -1.49 -0.24 0.23 0.00 0.00 176.91 176.49 2pqe h VAL 66 N 0.34 1.15 0.00 -5.77 3.04 -0.86 -2.37 116.25 111.77 2pqe h VAL 66 Ca -0.01 -2.57 -0.03 0.00 -1.01 0.00 0.00 66.70 63.08 2pqe h VAL 66 Cb 1.18 2.92 -0.00 0.00 -2.01 0.00 0.00 31.29 33.38 2pqe h VAL 66 CO 0.11 0.80 -0.16 -0.33 -1.01 0.00 0.00 177.57 176.98 2pqe h GLU 67 N 0.00 0.00 0.08 4.17 4.39 -0.71 -3.18 114.58 119.34 2pqe h GLU 67 Ca -0.28 0.00 -0.34 0.00 0.34 0.00 0.00 59.36 59.08 2pqe h GLU 67 Cb 2.02 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 30.65 2pqe h GLU 67 CO 0.20 0.16 -1.86 -0.91 -1.16 0.00 0.00 179.01 175.44 2pqe h ASN 68 N 0.00 0.27 -1.05 1.42 2.35 -1.41 -3.36 115.58 113.81 2pqe h ASN 68 Ca -0.00 -0.60 0.28 0.00 -0.55 0.00 0.00 56.30 55.43 2pqe h ASN 68 Cb 0.73 -0.09 -0.11 0.00 0.05 0.00 0.00 38.32 38.91 2pqe h ASN 68 CO 0.02 1.53 0.66 0.00 -1.65 0.00 0.00 177.43 177.99 2pqe h ALA 69 N 0.43 2.15 0.00 -0.83 0.00 -1.40 -3.44 119.26 116.16 2pqe h ALA 69 Ca -0.36 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.64 2pqe h ALA 69 Cb 2.03 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.87 2pqe h ALA 69 CO 0.09 -0.60 0.00 1.63 0.00 0.00 0.00 179.25 180.37 2pqe n LYS 70 N -4.72 0.00 -3.82 0.00 5.02 -1.25 -4.51 118.16 108.88 2pqe n LYS 70 Ca 0.27 0.00 -0.25 0.00 -2.02 0.00 0.00 58.31 56.32 2pqe n LYS 70 Cb 0.90 -1.15 -0.17 0.00 -0.02 0.00 0.00 35.03 34.59 2pqe n LYS 70 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 2pqe s LYS 71 N 0.00 0.97 0.02 1.97 2.20 -1.26 -4.85 119.74 118.78 2pqe s LYS 71 Ca 0.00 -0.05 0.08 0.00 -0.36 0.00 0.00 55.97 55.64 2pqe s LYS 71 Cb 0.00 -1.25 -0.02 0.00 -1.51 0.00 0.00 37.83 35.05 2pqe s LYS 71 CO 0.00 -0.30 -0.23 0.42 -0.36 0.00 0.00 175.35 174.88 2pqe s ILE 72 N 1.86 1.88 0.00 5.43 1.09 -1.26 0.53 121.20 130.73 2pqe s ILE 72 Ca 0.05 -1.15 0.03 0.00 -1.10 0.00 0.00 60.65 58.48 2pqe s ILE 72 Cb -0.13 -1.59 -0.01 0.00 -1.06 0.00 0.00 42.46 39.68 2pqe s ILE 72 CO -0.06 0.40 -0.11 -1.61 -0.10 0.00 0.00 174.94 173.46 2pqe s GLU 73 N -0.90 0.82 0.11 2.79 8.01 -0.11 -2.44 118.70 126.99 2pqe s GLU 73 Ca 0.09 -0.44 0.09 0.00 0.01 0.00 0.00 54.97 54.73 2pqe s GLU 73 Cb -0.09 -0.79 -0.04 0.00 -4.31 0.00 0.00 34.13 28.90 2pqe s GLU 73 CO 0.01 0.21 -0.20 0.14 0.01 0.00 0.00 175.26 175.43 2pqe s VAL 74 N -0.38 2.70 -0.14 2.63 -7.23 -0.98 -1.27 120.40 115.73 2pqe s VAL 74 Ca 0.03 -1.50 -0.01 0.00 -1.81 0.00 0.00 61.98 58.68 2pqe s VAL 74 Cb -0.05 -2.21 0.04 0.00 0.56 0.00 0.00 36.38 34.72 2pqe s VAL 74 CO -0.00 0.14 -0.01 -0.70 -0.31 0.00 0.00 175.10 174.22 2pqe s GLU 75 N -1.99 0.98 0.10 4.82 2.12 -0.92 -0.88 118.70 122.93 2pqe s GLU 75 Ca 0.16 -0.27 -0.19 0.00 0.36 0.00 0.00 54.97 55.04 2pqe s GLU 75 Cb -0.10 -1.67 -0.07 0.00 0.26 0.00 0.00 34.13 32.54 2pqe s GLU 75 CO 0.08 -0.43 0.58 -0.06 -0.54 0.00 0.00 175.26 174.90 2pqe s PHE 76 N 1.81 3.76 0.00 5.30 0.40 -1.26 -2.10 117.98 125.88 2pqe s PHE 76 Ca 0.02 1.25 0.00 0.00 -0.60 0.00 0.00 56.93 57.60 2pqe s PHE 76 Cb -0.15 -2.49 0.00 0.00 0.51 0.00 0.00 43.02 40.89 2pqe s PHE 76 CO -0.07 0.53 0.00 -3.47 0.70 0.00 0.00 175.22 172.91 2pqe n ASP 77 N 1.45 0.00 0.10 1.36 -0.08 -1.26 -4.99 116.55 113.12 2pqe n ASP 77 Ca -0.09 -0.46 0.12 0.00 -1.51 0.00 0.00 54.79 52.86 2pqe n ASP 77 Cb 0.51 0.00 0.14 0.00 2.34 0.00 0.00 41.12 44.11 2pqe n ASP 77 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 2pqe h LYS 78 N 0.00 0.00 0.00 -0.67 6.56 -1.98 -3.46 116.57 117.02 2pqe h LYS 78 Ca 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 2pqe h LYS 78 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.66 2pqe h LYS 78 CO 0.00 0.00 0.00 0.41 -2.06 0.00 0.00 179.45 177.80 2pqe n GLY 79 N 1.25 -2.90 3.91 3.86 0.00 -1.25 -4.83 105.19 105.24 2pqe n GLY 79 Ca 0.03 -0.87 -0.28 0.00 0.00 0.00 0.00 46.02 44.89 2pqe n GLY 79 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2pqe s GLN 80 N 0.00 3.57 0.15 1.61 -2.07 -1.25 -4.86 119.66 116.81 2pqe s GLN 80 Ca 0.00 -0.18 0.15 0.00 -1.82 0.00 0.00 55.36 53.51 2pqe s GLN 80 Cb 0.00 -2.78 -0.06 0.00 -1.09 0.00 0.00 33.01 29.08 2pqe s GLN 80 CO 0.00 0.35 1.12 -0.09 -1.32 0.00 0.00 175.29 175.35 2pqe h ARG 81 N 2.02 0.00 -3.21 9.60 2.43 -1.91 -3.44 114.38 119.87 2pqe h ARG 81 Ca -0.48 0.00 -0.48 0.00 -0.81 0.00 0.00 59.98 58.22 2pqe h ARG 81 Cb 1.19 0.00 -0.41 0.00 -0.42 0.00 0.00 29.97 30.33 2pqe h ARG 81 CO 0.68 0.45 -0.75 0.95 -1.51 0.00 0.00 179.97 179.79 2pqe s THR 82 N -2.91 0.10 -0.81 0.20 -4.23 -1.24 -1.93 115.64 104.83 2pqe s THR 82 Ca 0.00 -0.27 -0.12 0.00 -1.18 0.00 0.00 61.69 60.13 2pqe s THR 82 Cb 0.08 -0.70 -0.09 0.00 1.34 0.00 0.00 72.50 73.13 2pqe s THR 82 CO 0.79 -0.24 1.98 -0.67 -0.54 0.00 0.00 174.62 175.93 2pqe n ASP 83 N 5.21 3.76 -2.37 3.99 2.03 -1.26 -4.36 116.55 123.54 2pqe n ASP 83 Ca -0.08 -2.44 -0.07 0.00 0.52 0.00 0.00 54.79 52.72 2pqe n ASP 83 Cb 0.48 -1.07 -0.01 0.00 -0.72 0.00 0.00 41.12 39.81 2pqe n ASP 83 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 2pqe n LYS 84 N 5.33 -2.47 -0.08 -0.67 3.00 -1.26 -4.73 118.16 117.28 2pqe n LYS 84 Ca 0.44 0.33 0.03 0.00 -0.00 0.00 0.00 58.31 59.11 2pqe n LYS 84 Cb 0.23 -4.85 0.04 0.00 0.00 0.00 0.00 35.03 30.44 2pqe n LYS 84 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 2pqe n TYR 85 N -2.87 0.00 -1.63 5.64 4.01 -1.26 -4.98 117.16 116.07 2pqe n TYR 85 Ca -0.08 -0.50 -0.18 0.00 -0.16 0.00 0.00 57.90 56.99 2pqe n TYR 85 Cb 0.54 -0.07 -0.07 0.00 -0.31 0.00 0.00 39.34 39.43 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 -0.62 1.39 3.80 2.72 0.00 -1.26 -4.94 105.19 106.28 2pqe n GLY 86 Ca 0.04 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.80 2pqe n GLY 86 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2pqe s ARG 87 N -3.69 2.25 -0.79 1.61 0.52 -1.26 -4.90 118.95 112.69 2pqe s ARG 87 Ca 0.00 -1.97 0.01 0.00 -0.52 0.00 0.00 55.73 53.25 2pqe s ARG 87 Cb 0.00 -1.97 0.19 0.00 0.52 0.00 0.00 34.95 33.70 2pqe s ARG 87 CO 0.00 -0.32 0.63 0.20 0.02 0.00 0.00 175.30 175.83 2pqe s GLY 88 N -4.03 2.97 0.42 -3.53 0.00 0.65 -3.63 107.32 100.16 2pqe s GLY 88 Ca 0.33 -3.78 -0.26 0.00 0.00 0.00 0.00 44.72 41.01 2pqe s GLY 88 CO 0.19 1.14 1.35 0.48 0.00 0.00 0.00 173.10 176.26 2pqe s LEU 89 N -1.27 4.18 0.00 0.66 0.05 -0.81 -2.53 118.68 118.96 2pqe s LEU 89 Ca 0.25 2.76 0.00 0.00 0.05 0.00 0.00 54.13 57.19 2pqe s LEU 89 Cb -0.08 -3.90 0.00 0.00 -2.05 0.00 0.00 46.19 40.16 2pqe s LEU 89 CO -0.13 -0.96 0.00 0.00 -0.55 0.00 0.00 176.35 174.71 2pqe n ALA 90 N 0.03 0.00 -2.61 1.48 0.00 0.26 -4.80 120.51 114.86 2pqe n ALA 90 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.06 2pqe n ALA 90 Cb 0.43 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.85 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 3.66 -0.17 0.00 1.51 -0.89 -1.77 117.35 117.68 2pqe s TYR 91 Ca 0.00 1.67 -0.09 0.00 -1.01 0.00 0.00 57.07 57.64 2pqe s TYR 91 Cb 0.00 -3.14 -0.05 0.00 -0.11 0.00 0.00 41.96 38.66 2pqe s TYR 91 CO 0.00 -0.12 0.14 0.42 -1.11 0.00 0.00 175.55 174.88 2pqe s ILE 92 N 0.86 5.45 -0.05 2.71 -1.09 -1.26 -2.17 121.20 125.65 2pqe s ILE 92 Ca 0.52 0.20 0.02 0.00 -2.23 0.00 0.00 60.65 59.16 2pqe s ILE 92 Cb -0.22 -3.45 0.02 0.00 -1.58 0.00 0.00 42.46 37.23 2pqe s ILE 92 CO 0.28 0.51 -0.08 -0.31 -1.23 0.00 0.00 174.94 174.11 2pqe s TYR 93 N -0.15 1.02 -0.18 3.97 1.51 -0.40 -1.90 117.35 121.23 2pqe s TYR 93 Ca 0.11 -0.33 -0.06 0.00 -1.01 0.00 0.00 57.07 55.78 2pqe s TYR 93 Cb -0.11 -0.81 -0.03 0.00 -0.11 0.00 0.00 41.96 40.90 2pqe s TYR 93 CO 0.00 -0.21 0.03 0.00 -1.11 0.00 0.00 175.55 174.26 2pqe s ALA 94 N 0.72 3.23 -1.74 3.71 0.00 -0.31 -0.93 121.76 126.44 2pqe s ALA 94 Ca -0.12 -0.82 -0.15 0.00 0.00 0.00 0.00 51.96 50.88 2pqe s ALA 94 Cb -0.14 -1.81 0.14 0.00 0.00 0.00 0.00 23.12 21.31 2pqe s ALA 94 CO 0.02 0.11 0.40 -3.47 0.00 0.00 0.00 175.76 172.82 2pqe n ASP 95 N 3.70 -0.92 -0.30 0.00 2.03 0.19 0.16 116.55 121.40 2pqe n ASP 95 Ca -0.17 -1.24 -0.04 0.00 0.52 0.00 0.00 54.79 53.87 2pqe n ASP 95 Cb 0.52 -1.72 -0.01 0.00 -0.72 0.00 0.00 41.12 39.18 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 -1.64 0.59 3.56 0.27 0.00 -1.26 -5.04 105.19 101.67 2pqe n GLY 96 Ca -0.05 -0.88 -0.25 0.00 0.00 0.00 0.00 46.02 44.84 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 -2.61 2.00 -0.39 1.61 2.20 0.41 -5.10 119.74 117.86 2pqe s LYS 97 Ca 0.00 -1.48 -0.20 0.00 -0.36 0.00 0.00 55.97 53.93 2pqe s LYS 97 Cb 0.00 -2.03 0.01 0.00 -1.51 0.00 0.00 37.83 34.30 2pqe s LYS 97 CO 0.00 0.38 0.63 -1.64 -0.36 0.00 0.00 175.35 174.36 2pqe s MET 98 N -3.32 3.50 -0.04 4.03 -1.94 -1.26 -1.16 119.30 119.11 2pqe s MET 98 Ca 0.28 -0.15 -0.25 0.00 -1.71 0.00 0.00 55.69 53.86 2pqe s MET 98 Cb -0.07 -3.87 -0.21 0.00 2.01 0.00 0.00 34.83 32.69 2pqe s MET 98 CO 0.16 -0.85 1.14 0.28 -0.01 0.00 0.00 175.02 175.75 2pqe h VAL 99 N 5.76 1.49 -0.39 -6.03 2.07 -1.75 -2.32 116.25 115.08 2pqe h VAL 99 Ca -0.26 -1.54 0.04 0.00 0.82 0.00 0.00 66.70 65.76 2pqe h VAL 99 Cb 1.10 2.46 -0.04 0.00 -1.52 0.00 0.00 31.29 33.30 2pqe h VAL 99 CO 0.86 0.41 0.17 -0.55 0.02 0.00 0.00 177.57 178.48 2pqe h ASN 100 N -0.51 0.23 -0.20 0.57 7.08 -1.93 0.25 115.58 121.07 2pqe h ASN 100 Ca -0.00 0.03 -0.00 0.00 -3.08 0.00 0.00 56.30 53.25 2pqe h ASN 100 Cb 0.71 -0.01 -0.01 0.00 -2.08 0.00 0.00 38.32 36.93 2pqe h ASN 100 CO 0.02 0.17 0.12 -0.33 -2.08 0.00 0.00 177.43 175.33 2pqe h GLU 101 N 0.35 0.28 -0.69 4.14 5.08 -1.93 -1.39 114.58 120.43 2pqe h GLU 101 Ca 0.17 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.51 2pqe h GLU 101 Cb 0.11 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.27 2pqe h GLU 101 CO -0.14 0.22 0.43 0.00 -1.00 0.00 0.00 179.01 178.52 2pqe h ALA 102 N 1.04 0.88 0.30 3.43 0.00 -1.08 0.83 119.26 124.66 2pqe h ALA 102 Ca 0.07 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2pqe h ALA 102 Cb 0.02 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.53 2pqe h ALA 102 CO -0.01 0.33 -0.15 -0.07 0.00 0.00 0.00 179.25 179.35 2pqe h LEU 103 N 0.94 -0.35 -0.15 0.00 3.38 -0.72 0.16 115.31 118.57 2pqe h LEU 103 Ca 0.25 -0.03 -0.06 0.00 0.09 0.00 0.00 57.88 58.14 2pqe h LEU 103 Cb -0.05 0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 2pqe h LEU 103 CO -0.05 -0.20 -0.12 0.58 0.09 0.00 0.00 178.44 178.74 2pqe h VAL 104 N -0.46 1.33 -0.03 1.22 2.07 -1.13 0.70 116.25 119.95 2pqe h VAL 104 Ca -0.04 -1.24 0.01 0.00 0.82 0.00 0.00 66.70 66.25 2pqe h VAL 104 Cb 0.35 1.82 -0.00 0.00 -1.52 0.00 0.00 31.29 31.94 2pqe h VAL 104 CO 0.07 0.37 0.02 -0.09 0.02 0.00 0.00 177.57 177.96 2pqe h ARG 105 N -0.01 0.00 0.00 1.57 2.43 0.70 -1.79 114.38 117.28 2pqe h ARG 105 Ca 0.03 0.00 -0.24 0.00 -0.81 0.00 0.00 59.98 58.96 2pqe h ARG 105 Cb 0.63 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.14 2pqe h ARG 105 CO 0.03 0.00 -1.61 1.04 -1.51 0.00 0.00 179.97 177.92 2pqe n GLN 106 N -4.45 0.63 0.00 0.20 1.13 0.57 -4.86 117.38 110.60 2pqe n GLN 106 Ca -0.02 0.25 0.00 0.00 -1.94 0.00 0.00 57.00 55.29 2pqe n GLN 106 Cb 0.12 -1.79 0.00 0.00 0.11 0.00 0.00 30.24 28.68 2pqe n GLN 106 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2pqe n GLY 107 N 1.49 0.85 0.51 1.08 0.00 0.13 -4.29 105.19 104.95 2pqe n GLY 107 Ca -0.14 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.07 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 0.53 -4.59 0.99 7.99 0.20 -2.64 117.00 119.48 2pqe n LEU 108 Ca 0.00 0.00 -0.25 0.00 -0.01 0.00 0.00 56.01 55.75 2pqe n LEU 108 Cb 0.00 0.00 -0.08 0.00 -0.11 0.00 0.00 43.42 43.23 2pqe n LEU 108 CO 0.00 -0.02 -0.38 0.00 -1.51 0.00 0.00 177.39 175.48 2pqe s ALA 109 N -1.47 3.02 0.51 -1.18 0.00 -1.21 -4.68 121.76 116.76 2pqe s ALA 109 Ca 0.00 -1.59 0.01 0.00 0.00 0.00 0.00 51.96 50.38 2pqe s ALA 109 Cb 0.00 -0.71 -0.01 0.00 0.00 0.00 0.00 23.12 22.41 2pqe s ALA 109 CO 0.00 0.36 0.02 -1.59 0.00 0.00 0.00 175.76 174.54 2pqe s LYS 110 N -3.28 2.19 -0.16 0.00 0.00 0.10 -4.15 119.74 114.45 2pqe s LYS 110 Ca 0.28 -2.41 -0.29 0.00 0.00 0.00 0.00 55.97 53.55 2pqe s LYS 110 Cb -0.07 -1.41 -0.02 0.00 0.00 0.00 0.00 37.83 36.33 2pqe s LYS 110 CO 0.17 -0.41 1.29 0.08 0.00 0.00 0.00 175.35 176.49 2pqe s VAL 111 N -2.93 4.22 0.27 1.79 1.01 -1.26 0.10 120.40 123.61 2pqe s VAL 111 Ca 0.05 1.48 0.14 0.00 0.00 0.00 0.00 61.98 63.65 2pqe s VAL 111 Cb 0.01 -3.96 0.07 0.00 0.00 0.00 0.00 36.38 32.50 2pqe s VAL 111 CO 0.03 -0.14 1.73 0.00 0.00 0.00 0.00 175.10 176.72 2pqe h ALA 112 N 8.34 1.11 -4.60 5.51 0.00 -1.67 -3.44 119.26 124.51 2pqe h ALA 112 Ca -0.27 -0.41 0.01 0.00 0.00 0.00 0.00 54.91 54.23 2pqe h ALA 112 Cb 1.11 -0.07 -0.08 0.00 0.00 0.00 0.00 17.79 18.75 2pqe h ALA 112 CO 0.97 0.57 -1.15 0.98 0.00 0.00 0.00 179.25 180.62 2pqe n TYR 113 N -3.79 -3.47 -3.88 0.00 9.36 -1.26 -4.91 117.16 109.20 2pqe n TYR 113 Ca -0.01 1.91 -0.30 0.00 3.32 0.00 0.00 57.90 62.81 2pqe n TYR 113 Cb 0.51 -3.45 -0.15 0.00 -0.63 0.00 0.00 39.34 35.61 2pqe n TYR 113 CO 0.00 0.00 0.00 0.08 0.22 0.00 0.00 176.86 177.16 2pqe s VAL 114 N -0.73 1.40 -0.49 2.97 1.01 -1.26 -4.98 120.40 118.32 2pqe s VAL 114 Ca -0.17 -1.38 0.03 0.00 0.00 0.00 0.00 61.98 60.46 2pqe s VAL 114 Cb 0.01 -1.83 0.59 0.00 0.00 0.00 0.00 36.38 35.14 2pqe s VAL 114 CO 0.63 -0.32 1.88 0.00 0.00 0.00 0.00 175.10 177.29 2pqe n TYR 115 N 4.68 2.91 -1.48 5.22 0.18 -1.26 -4.07 117.16 123.34 2pqe n TYR 115 Ca -0.07 -2.16 -0.03 0.00 1.88 0.00 0.00 57.90 57.52 2pqe n TYR 115 Cb 0.44 -1.02 0.20 0.00 -0.38 0.00 0.00 39.34 38.57 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 -1.07 1.80 0.00 -3.48 5.02 -1.26 -4.93 118.16 114.24 2pqe n LYS 116 Ca 0.58 -3.21 0.00 0.00 -2.02 0.00 0.00 58.31 53.66 2pqe n LYS 116 Cb 1.31 -1.78 0.00 0.00 -0.02 0.00 0.00 35.03 34.54 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 -1.12 3.19 2.84 0.72 0.00 -1.26 -3.92 105.19 105.63 2pqe n GLY 117 Ca 0.31 -0.99 -0.35 0.00 0.00 0.00 0.00 46.02 44.99 2pqe n GLY 117 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2pqe n ASN 118 N 0.49 3.87 -2.72 1.61 4.13 -1.26 -3.89 115.26 117.49 2pqe n ASN 118 Ca 0.00 -2.56 -0.06 0.00 1.68 0.00 0.00 54.58 53.64 2pqe n ASN 118 Cb 0.00 -1.19 0.05 0.00 -1.54 0.00 0.00 39.78 37.10 2pqe n ASN 118 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 2pqe n ASN 119 N 5.91 1.13 -0.13 6.41 5.15 -1.26 -4.54 115.26 127.93 2pqe n ASN 119 Ca 0.49 -2.47 -0.22 0.00 -0.60 0.00 0.00 54.58 51.79 2pqe n ASN 119 Cb 0.29 -0.36 -0.11 0.00 -0.53 0.00 0.00 39.78 39.07 2pqe n ASN 119 CO 0.00 0.00 0.00 0.41 1.40 0.00 0.00 177.26 179.07 2pqe n THR 120 N -0.32 1.52 -0.01 -0.44 -1.04 -1.26 -4.39 114.28 108.34 2pqe n THR 120 Ca 0.07 -0.50 0.06 0.00 -2.04 0.00 0.00 64.05 61.63 2pqe n THR 120 Cb 0.82 -1.59 0.26 0.00 -1.82 0.00 0.00 70.33 67.99 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 -3.61 1.11 0.24 -1.42 8.25 -1.26 -4.33 115.22 114.20 2pqe n HIS 121 Ca -0.48 -0.43 0.16 0.00 -0.26 0.00 0.00 57.72 56.71 2pqe n HIS 121 Cb 0.95 -0.22 0.86 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 2.85 0.00 0.24 -0.41 4.81 -1.91 -2.59 114.58 117.58 2pqe h GLU 122 Ca 0.00 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 2pqe h GLU 122 Cb 1.16 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.54 2pqe h GLU 122 CO 0.19 0.00 -0.12 1.96 -0.73 0.00 0.00 179.01 180.32 2pqe h GLN 123 N 0.00 -0.31 -0.22 1.92 4.20 -1.92 0.27 115.11 119.05 2pqe h GLN 123 Ca 0.00 0.02 -0.10 0.00 0.06 0.00 0.00 58.65 58.63 2pqe h GLN 123 Cb 0.01 0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.84 2pqe h GLN 123 CO 0.00 0.04 -0.30 1.37 -0.67 0.00 0.00 178.83 179.28 2pqe h LEU 124 N -0.75 0.46 0.11 1.46 -0.00 -1.83 -1.88 115.31 112.89 2pqe h LEU 124 Ca -0.03 -0.17 -0.01 0.00 -0.00 0.00 0.00 57.88 57.68 2pqe h LEU 124 Cb 0.50 -0.13 0.00 0.00 -0.00 0.00 0.00 40.66 41.03 2pqe h LEU 124 CO 0.05 0.74 -0.06 -0.07 -0.00 0.00 0.00 178.44 179.11 2pqe h LEU 125 N 0.39 -0.13 -1.74 0.17 3.38 -1.51 -2.53 115.31 113.35 2pqe h LEU 125 Ca 0.05 -0.36 0.00 0.00 0.09 0.00 0.00 57.88 57.67 2pqe h LEU 125 Cb 0.72 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.49 2pqe h LEU 125 CO 0.06 0.31 0.18 -0.09 0.09 0.00 0.00 178.44 178.99 2pqe h ARG 126 N -0.61 0.35 -0.43 1.13 9.65 -0.93 -1.44 114.38 122.10 2pqe h ARG 126 Ca -0.02 -0.02 -0.07 0.00 -1.10 0.00 0.00 59.98 58.78 2pqe h ARG 126 Cb 0.48 -0.08 -0.02 0.00 -1.39 0.00 0.00 29.97 28.97 2pqe h ARG 126 CO 0.03 0.23 0.01 0.87 2.80 0.00 0.00 179.97 183.91 2pqe h LYS 127 N 0.36 0.75 -0.30 0.20 6.56 -1.28 -0.11 116.57 122.74 2pqe h LYS 127 Ca 0.10 -0.23 -0.12 0.00 -1.06 0.00 0.00 60.65 59.34 2pqe h LYS 127 Cb -0.03 -0.07 -0.01 0.00 -0.57 0.00 0.00 32.23 31.55 2pqe h LYS 127 CO -0.02 0.82 -0.29 0.66 -2.06 0.00 0.00 179.45 178.55 2pqe h SER 128 N 0.59 0.63 -0.16 0.86 4.64 -0.93 -1.86 113.55 117.33 2pqe h SER 128 Ca 0.12 -0.24 -0.07 0.00 -0.47 0.00 0.00 61.79 61.14 2pqe h SER 128 Cb 0.47 -0.17 -0.00 0.00 -0.31 0.00 0.00 62.40 62.38 2pqe h SER 128 CO 0.02 0.89 -0.16 -0.08 -0.87 0.00 0.00 176.83 176.63 2pqe h GLU 129 N 0.53 0.38 -0.74 4.77 4.81 -1.13 -2.56 114.58 120.64 2pqe h GLU 129 Ca 0.07 -0.20 -0.02 0.00 -0.13 0.00 0.00 59.36 59.08 2pqe h GLU 129 Cb 0.77 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.12 2pqe h GLU 129 CO 0.06 0.76 0.40 0.00 -0.73 0.00 0.00 179.01 179.51 2pqe h ALA 130 N 0.62 0.95 -0.69 2.92 0.00 -0.97 0.15 119.26 122.23 2pqe h ALA 130 Ca 0.02 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 2pqe h ALA 130 Cb 0.69 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 2pqe h ALA 130 CO 0.04 0.46 0.41 1.96 0.00 0.00 0.00 179.25 182.13 2pqe h GLN 131 N 1.02 0.94 0.00 0.00 1.08 -1.33 -0.38 115.11 116.43 2pqe h GLN 131 Ca 0.26 -0.09 -0.14 0.00 -1.45 0.00 0.00 58.65 57.23 2pqe h GLN 131 Cb 0.04 -0.20 -0.02 0.00 -0.05 0.00 0.00 27.48 27.26 2pqe h GLN 131 CO -0.04 0.67 -0.66 0.00 -0.95 0.00 0.00 178.83 177.85 2pqe h ALA 132 N 1.21 0.82 0.06 3.87 0.00 -1.11 -2.34 119.26 121.77 2pqe h ALA 132 Ca 0.25 -0.60 -0.00 0.00 0.00 0.00 0.00 54.91 54.55 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 0.83 -0.03 -0.22 0.00 0.00 0.00 179.25 179.78 2pqe h LYS 133 N 0.00 -0.08 -0.19 0.00 3.11 -0.17 0.85 116.57 120.09 2pqe h LYS 133 Ca -0.01 0.01 -0.08 0.00 -2.81 0.00 0.00 60.65 57.76 2pqe h LYS 133 Cb 1.24 0.02 -0.01 0.00 -1.00 0.00 0.00 32.23 32.47 2pqe h LYS 133 CO 0.09 0.38 -0.22 0.87 -2.81 0.00 0.00 179.45 177.75 2pqe h LYS 134 N -0.57 0.34 0.00 1.90 1.57 -1.15 -2.76 116.57 115.90 2pqe h LYS 134 Ca -0.01 -0.11 -0.11 0.00 -1.87 0.00 0.00 60.65 58.55 2pqe h LYS 134 Cb 0.49 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.76 2pqe h LYS 134 CO 0.01 0.55 -0.92 0.93 -0.57 0.00 0.00 179.45 179.45 2pqe h GLU 135 N 0.31 0.00 -5.48 3.15 5.08 -1.42 -3.49 114.58 112.73 2pqe h GLU 135 Ca 0.05 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.30 2pqe h GLU 135 Cb 0.57 0.00 0.06 0.00 0.50 0.00 0.00 28.75 29.88 2pqe h GLU 135 CO 0.04 0.31 -0.33 1.63 -1.00 0.00 0.00 179.01 179.66 2pqe n LYS 136 N -3.00 -1.60 0.00 2.33 4.76 0.29 -4.99 118.16 115.95 2pqe n LYS 136 Ca -0.03 1.24 0.00 0.00 -2.87 0.00 0.00 58.31 56.65 2pqe n LYS 136 Cb 0.74 -5.58 0.00 0.00 -1.84 0.00 0.00 35.03 28.35 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 -2.33 1.25 0.00 -0.35 4.77 -1.04 -4.51 117.00 114.79 2pqe n LEU 137 Ca -0.04 0.35 0.00 0.00 -0.03 0.00 0.00 56.01 56.30 2pqe n LEU 137 Cb 0.55 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.48 2pqe n LEU 137 CO 0.56 -0.16 0.00 0.59 -1.33 0.00 0.00 177.39 177.05 2pqe n ASN 138 N -0.98 0.00 -0.32 -1.43 4.13 -1.26 -4.65 115.26 110.75 2pqe n ASN 138 Ca 0.00 0.00 0.16 0.00 1.68 0.00 0.00 54.58 56.42 2pqe n ASN 138 Cb 0.00 0.00 0.39 0.00 -1.54 0.00 0.00 39.78 38.63 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 0.67 -0.89 2.41 3.07 -1.77 0.29 117.51 121.29 2pqe h ILE 139 Ca 0.00 -0.21 -0.49 0.00 1.55 0.00 0.00 64.86 65.71 2pqe h ILE 139 Cb 0.00 -0.01 -0.27 0.00 -0.27 0.00 0.00 36.82 36.27 2pqe h ILE 139 CO 0.00 0.11 0.62 0.79 -1.05 0.00 0.00 178.15 178.62 2pqe n TRP 140 N -4.69 2.76 -1.48 0.16 5.03 -1.26 -4.34 117.44 113.62 2pqe n TRP 140 Ca 0.23 -1.90 -0.09 0.00 3.03 0.00 0.00 57.50 58.77 2pqe n TRP 140 Cb 0.65 -0.96 0.18 0.00 -1.03 0.00 0.00 31.31 30.15 2pqe n TRP 140 CO 0.00 0.00 0.00 0.45 -0.03 0.00 0.00 177.69 178.11 2pqe n SER 141 N -0.90 2.96 -1.08 -0.99 2.88 0.10 -4.11 113.62 112.48 2pqe n SER 141 Ca 0.54 -3.78 -0.05 0.00 -1.33 0.00 0.00 58.87 54.24 2pqe n SER 141 Cb 1.38 -0.65 -0.04 0.00 -0.75 0.00 0.00 64.21 64.15 2pqe n SER 141 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 2pqe n GLU 142 N -1.09 0.13 -3.89 -1.46 -0.00 -1.26 -5.00 120.64 108.07 2pqe n GLU 142 Ca 0.38 -0.82 -0.26 0.00 -0.00 0.00 0.00 57.16 56.47 2pqe n GLU 142 Cb 1.08 0.48 -0.02 0.00 -0.00 0.00 0.00 31.44 32.98 2pqe n GLU 142 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 2pqe s ASP 143 N -0.81 4.65 -0.07 -1.84 2.15 -1.26 -5.14 116.67 114.35 2pqe s ASP 143 Ca 0.01 -1.18 0.02 0.00 0.43 0.00 0.00 52.55 51.83 2pqe s ASP 143 Cb 0.04 0.21 0.01 0.00 -0.30 0.00 0.00 42.92 42.89 2pqe s ASP 143 CO -0.01 -0.99 -0.13 0.20 -0.17 0.00 0.00 175.17 174.07 2pqe s ASN 144 N -4.22 1.92 -0.07 -0.34 0.02 -1.26 -5.02 114.94 105.97 2pqe s ASN 144 Ca 0.36 -0.32 -0.08 0.00 -1.02 0.00 0.00 52.86 51.80 2pqe s ASN 144 Cb -0.02 -0.87 -0.28 0.00 0.02 0.00 0.00 41.25 40.10 2pqe s ASN 144 CO 0.22 0.02 0.57 0.00 0.02 0.00 0.00 177.10 177.93 2pqe h ALA 145 N 7.11 0.30 0.00 0.60 0.00 -2.00 -3.48 119.26 121.79 2pqe h ALA 145 Ca -0.30 -1.25 0.00 0.00 0.00 0.00 0.00 54.91 53.36 2pqe h ALA 145 Cb 1.18 0.54 0.00 0.00 0.00 0.00 0.00 17.79 19.51 2pqe h ALA 145 CO 0.47 1.17 0.00 -0.25 0.00 0.00 0.00 179.25 180.64 2pqe n ASP 146 N -3.51 0.00 -0.01 0.00 8.00 -1.26 -3.78 116.55 115.99 2pqe n ASP 146 Ca -0.26 0.00 -0.03 0.00 0.71 0.00 0.00 54.79 55.21 2pqe n ASP 146 Cb 1.06 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 42.14 2pqe n ASP 146 CO 0.00 0.00 0.00 0.77 -0.39 0.00 0.00 177.20 177.58 2pqe h SER 147 N 0.00 -0.09 0.00 -2.24 4.64 -2.06 -3.49 113.55 110.31 2pqe h SER 147 Ca 0.00 -0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.25 2pqe h SER 147 Cb 0.00 0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 2pqe h SER 147 CO 0.00 0.43 0.00 0.61 -0.87 0.00 0.00 176.83 177.00 2pqe n GLY 148 N 1.48 3.28 0.00 -0.77 0.00 -1.25 -5.31 105.19 102.62 2pqe n GLY 148 Ca -0.02 -0.90 0.08 0.00 0.00 0.00 0.00 46.02 45.18 2pqe n GLY 148 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26