#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pqe s THR 2 N 0.00 -0.32 0.02 0.00 -1.32 -1.26 -5.15 115.64 107.62 2pqe s THR 2 Ca 0.00 0.04 0.04 0.00 -1.21 0.00 0.00 61.69 60.56 2pqe s THR 2 Cb 0.00 -0.56 -0.02 0.00 -1.51 0.00 0.00 72.50 70.41 2pqe s THR 2 CO 0.00 -0.09 -0.11 -0.94 -2.21 0.00 0.00 174.62 171.27 2pqe s SER 3 N 2.33 1.29 0.60 8.08 1.04 -1.26 -5.14 113.70 120.64 2pqe s SER 3 Ca 0.05 -0.36 -0.19 0.00 0.48 0.00 0.00 55.95 55.94 2pqe s SER 3 Cb -0.14 -0.09 -0.03 0.00 0.10 0.00 0.00 66.02 65.86 2pqe s SER 3 CO -0.10 0.02 1.22 0.28 0.98 0.00 0.00 173.24 175.65 2pqe s THR 4 N -0.69 2.52 1.20 2.02 -1.32 -1.26 -5.01 115.64 113.10 2pqe s THR 4 Ca 0.00 0.33 -0.20 0.00 -1.21 0.00 0.00 61.69 60.61 2pqe s THR 4 Cb -0.06 -3.13 0.30 0.00 -1.51 0.00 0.00 72.50 68.10 2pqe s THR 4 CO 0.00 -0.07 1.00 0.29 -2.21 0.00 0.00 174.62 173.63 2pqe n LYS 5 N -1.65 -3.31 0.03 7.08 5.02 -1.26 -4.95 118.16 119.12 2pqe n LYS 5 Ca 0.14 -1.61 -0.12 0.00 -2.02 0.00 0.00 58.31 54.71 2pqe n LYS 5 Cb 0.49 -1.58 -0.07 0.00 -0.02 0.00 0.00 35.03 33.85 2pqe n LYS 5 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 2pqe h LYS 6 N 0.00 0.04 -5.13 1.97 1.57 -2.07 -3.40 116.57 109.54 2pqe h LYS 6 Ca -0.39 -0.00 -0.62 0.00 -1.87 0.00 0.00 60.65 57.77 2pqe h LYS 6 Cb 1.20 -0.01 -0.17 0.00 0.08 0.00 0.00 32.23 33.33 2pqe h LYS 6 CO 0.25 0.04 -0.55 -0.51 -0.57 0.00 0.00 179.45 178.10 2pqe s LEU 7 N -10.16 3.85 0.38 2.94 1.43 -1.26 -5.10 118.68 110.77 2pqe s LEU 7 Ca -0.13 0.03 0.08 0.00 -1.03 0.00 0.00 54.13 53.08 2pqe s LEU 7 Cb 0.06 -2.01 -0.07 0.00 0.03 0.00 0.00 46.19 44.21 2pqe s LEU 7 CO 0.66 0.09 0.02 -1.38 0.23 0.00 0.00 176.35 175.97 2pqe s HIS 8 N 0.90 2.52 0.18 0.29 -3.43 -1.26 -5.11 115.29 109.37 2pqe s HIS 8 Ca 0.05 -0.58 -0.14 0.00 -0.80 0.00 0.00 55.06 53.60 2pqe s HIS 8 Cb -0.13 -1.67 -0.07 0.00 -1.43 0.00 0.00 32.58 29.27 2pqe s HIS 8 CO 0.03 0.44 0.58 0.15 -2.00 0.00 0.00 174.74 173.94 2pqe s LYS 9 N -3.72 3.98 -0.30 -0.38 3.01 -1.26 -4.44 119.74 116.62 2pqe s LYS 9 Ca 0.36 0.51 -0.16 0.00 -1.01 0.00 0.00 55.97 55.66 2pqe s LYS 9 Cb 0.05 -2.84 0.20 0.00 -1.01 0.00 0.00 37.83 34.23 2pqe s LYS 9 CO 0.19 0.42 1.20 -2.00 0.51 0.00 0.00 175.35 175.67 2pqe s GLU 10 N -2.18 0.11 0.00 1.68 2.12 -0.30 -4.75 118.70 115.38 2pqe s GLU 10 Ca 0.41 0.20 0.00 0.00 0.36 0.00 0.00 54.97 55.94 2pqe s GLU 10 Cb -0.14 0.04 0.00 0.00 0.26 0.00 0.00 34.13 34.28 2pqe s GLU 10 CO 0.20 -0.03 0.00 0.00 -0.54 0.00 0.00 175.26 174.89 2pqe n ALA 11 N 3.38 0.20 0.00 6.30 0.00 -1.25 -2.39 120.51 126.75 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 0.56 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 -3.37 0.00 0.00 -1.01 -4.15 120.51 108.98 2pqe n ALA 12 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.29 2pqe n ALA 12 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.37 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 -0.30 0.00 2.01 -1.06 -4.12 115.64 112.20 2pqe s THR 13 Ca 0.00 -0.21 -0.13 0.00 0.31 0.00 0.00 61.69 61.66 2pqe s THR 13 Cb 0.00 -0.77 -0.03 0.00 0.01 0.00 0.00 72.50 71.71 2pqe s THR 13 CO 0.00 -0.11 0.29 -0.22 -0.69 0.00 0.00 174.62 173.89 2pqe s LEU 14 N -0.92 4.20 0.01 4.42 1.98 -1.26 0.16 118.68 127.26 2pqe s LEU 14 Ca -0.10 -0.04 -0.25 0.00 -2.89 0.00 0.00 54.13 50.86 2pqe s LEU 14 Cb -0.03 -2.27 -0.16 0.00 0.66 0.00 0.00 46.19 44.39 2pqe s LEU 14 CO 0.05 -0.19 1.20 0.40 -1.89 0.00 0.00 176.35 175.93 2pqe h ILE 15 N 5.44 0.62 -1.12 6.68 5.03 -0.86 -3.46 117.51 129.83 2pqe h ILE 15 Ca -0.32 -0.58 0.19 0.00 -0.12 0.00 0.00 64.86 64.03 2pqe h ILE 15 Cb 1.17 0.89 -0.31 0.00 -3.03 0.00 0.00 36.82 35.54 2pqe h ILE 15 CO 0.62 0.10 0.86 -0.75 -0.68 0.00 0.00 178.15 178.31 2pqe s LYS 16 N -4.60 0.11 0.42 2.37 2.47 -1.05 -5.02 119.74 114.44 2pqe s LYS 16 Ca -0.14 0.10 -0.21 0.00 -1.56 0.00 0.00 55.97 54.15 2pqe s LYS 16 Cb 0.02 0.05 -0.11 0.00 -1.46 0.00 0.00 37.83 36.33 2pqe s LYS 16 CO 0.52 -0.02 0.95 0.00 0.16 0.00 0.00 175.35 176.96 2pqe s ALA 17 N -0.27 3.06 -0.20 3.13 0.00 -1.26 -0.60 121.76 125.63 2pqe s ALA 17 Ca 0.07 0.40 -0.08 0.00 0.00 0.00 0.00 51.96 52.36 2pqe s ALA 17 Cb -0.04 -3.15 -0.09 0.00 0.00 0.00 0.00 23.12 19.84 2pqe s ALA 17 CO -0.12 0.14 -0.24 -0.89 0.00 0.00 0.00 175.76 174.64 2pqe n ILE 18 N -0.54 1.09 -2.75 0.00 5.41 0.41 -4.87 119.36 118.11 2pqe n ILE 18 Ca 0.07 -0.30 -0.09 0.00 1.00 0.00 0.00 62.75 63.42 2pqe n ILE 18 Cb 0.54 -1.66 0.06 0.00 -0.71 0.00 0.00 39.64 37.87 2pqe n ILE 18 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 2pqe n ASP 19 N -3.73 -0.34 0.00 4.38 2.03 -0.37 -4.97 116.55 113.55 2pqe n ASP 19 Ca -0.38 -2.78 0.00 0.00 0.52 0.00 0.00 54.79 52.15 2pqe n ASP 19 Cb 0.79 0.33 0.00 0.00 -0.72 0.00 0.00 41.12 41.52 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 -0.17 0.77 0.11 0.27 0.00 -1.26 -3.61 105.19 101.30 2pqe n GLY 20 Ca 0.06 -0.01 -0.16 0.00 0.00 0.00 0.00 46.02 45.92 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 0.36 -3.28 1.61 2.03 -1.90 -3.43 116.42 111.81 2pqe h ASP 21 Ca 0.00 -0.47 -0.69 0.00 -0.73 0.00 0.00 57.03 55.15 2pqe h ASP 21 Cb 0.00 -0.12 -0.18 0.00 -0.83 0.00 0.00 39.33 38.20 2pqe h ASP 21 CO 0.00 1.38 0.02 -0.89 -1.03 0.00 0.00 179.24 178.73 2pqe s THR 22 N -2.63 4.90 0.02 1.15 2.01 -1.24 -2.09 115.64 117.76 2pqe s THR 22 Ca -0.07 -0.48 0.03 0.00 0.31 0.00 0.00 61.69 61.48 2pqe s THR 22 Cb 0.07 -4.28 -0.02 0.00 0.01 0.00 0.00 72.50 68.29 2pqe s THR 22 CO 0.86 -0.77 -0.10 0.68 -0.69 0.00 0.00 174.62 174.59 2pqe s VAL 23 N 2.58 0.81 -0.53 3.82 -7.23 -0.41 0.16 120.40 119.59 2pqe s VAL 23 Ca 0.15 -0.74 -0.23 0.00 -1.81 0.00 0.00 61.98 59.35 2pqe s VAL 23 Cb -0.19 -0.73 0.04 0.00 0.56 0.00 0.00 36.38 36.06 2pqe s VAL 23 CO 0.12 0.01 0.88 -0.54 -0.31 0.00 0.00 175.10 175.26 2pqe s LYS 24 N -0.82 3.32 -0.07 4.82 1.02 0.24 0.81 119.74 129.06 2pqe s LYS 24 Ca 0.00 -0.31 -0.01 0.00 0.02 0.00 0.00 55.97 55.67 2pqe s LYS 24 Cb -0.06 -4.04 -0.03 0.00 -0.52 0.00 0.00 37.83 33.17 2pqe s LYS 24 CO 0.00 -1.40 -0.01 -1.17 -0.92 0.00 0.00 175.35 171.85 2pqe s LEU 25 N 3.70 3.50 -0.62 3.17 0.20 0.75 -0.13 118.68 129.25 2pqe s LEU 25 Ca 0.29 0.10 -0.22 0.00 0.69 0.00 0.00 54.13 54.99 2pqe s LEU 25 Cb -0.13 -1.81 0.07 0.00 -0.43 0.00 0.00 46.19 43.89 2pqe s LEU 25 CO 0.19 0.37 0.88 -0.32 -0.29 0.00 0.00 176.35 177.17 2pqe s MET 26 N -0.94 3.13 -0.07 1.98 -2.45 0.42 -0.05 119.30 121.31 2pqe s MET 26 Ca 0.14 -0.86 -0.02 0.00 -1.25 0.00 0.00 55.69 53.70 2pqe s MET 26 Cb -0.11 -4.20 -0.03 0.00 1.25 0.00 0.00 34.83 31.73 2pqe s MET 26 CO 0.03 -1.66 0.01 -0.47 1.05 0.00 0.00 175.02 173.98 2pqe s TYR 27 N 3.64 3.18 -0.45 4.11 6.14 0.32 -2.56 117.35 131.73 2pqe s TYR 27 Ca 0.20 0.20 0.00 0.00 0.64 0.00 0.00 57.07 58.11 2pqe s TYR 27 Cb -0.18 -1.78 0.00 0.00 0.42 0.00 0.00 41.96 40.42 2pqe s TYR 27 CO 0.11 0.48 0.00 0.36 0.64 0.00 0.00 175.55 177.14 2pqe n LYS 28 N 2.02 -2.35 -0.55 4.97 -0.00 -1.26 0.12 118.16 121.10 2pqe n LYS 28 Ca -0.18 0.25 0.00 0.00 -0.00 0.00 0.00 58.31 58.38 2pqe n LYS 28 Cb 0.54 -4.70 0.00 0.00 -0.00 0.00 0.00 35.03 30.87 2pqe n LYS 28 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2pqe n GLY 29 N -0.51 0.67 2.84 2.58 0.00 -1.26 -5.07 105.19 104.44 2pqe n GLY 29 Ca -0.06 -0.54 -0.15 0.00 0.00 0.00 0.00 46.02 45.27 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 -1.03 0.21 -0.44 1.61 -2.07 0.31 -5.11 119.66 113.14 2pqe s GLN 30 Ca 0.00 0.04 -0.26 0.00 -1.82 0.00 0.00 55.36 53.32 2pqe s GLN 30 Cb 0.00 -0.34 0.02 0.00 -1.09 0.00 0.00 33.01 31.61 2pqe s GLN 30 CO 0.00 -0.08 0.96 0.00 -1.32 0.00 0.00 175.29 174.85 2pqe s ALA 31 N 0.65 3.27 0.15 2.60 0.00 -1.26 0.12 121.76 127.29 2pqe s ALA 31 Ca -0.06 -0.66 0.09 0.00 0.00 0.00 0.00 51.96 51.33 2pqe s ALA 31 Cb -0.09 -3.65 -0.04 0.00 0.00 0.00 0.00 23.12 19.34 2pqe s ALA 31 CO -0.01 -1.97 -0.21 0.00 0.00 0.00 0.00 175.76 173.57 2pqe s MET 32 N 3.78 1.29 -0.42 0.00 0.23 0.93 -4.89 119.30 120.22 2pqe s MET 32 Ca 0.39 -1.36 -0.29 0.00 -1.03 0.00 0.00 55.69 53.40 2pqe s MET 32 Cb -0.10 -1.49 0.02 0.00 -1.53 0.00 0.00 34.83 31.74 2pqe s MET 32 CO 0.25 0.32 1.13 0.99 -2.03 0.00 0.00 175.02 175.68 2pqe s THR 33 N -1.66 4.30 0.19 3.16 2.01 -1.26 -0.18 115.64 122.20 2pqe s THR 33 Ca 0.14 1.39 -0.02 0.00 0.31 0.00 0.00 61.69 63.51 2pqe s THR 33 Cb -0.08 -4.53 -0.05 0.00 0.01 0.00 0.00 72.50 67.86 2pqe s THR 33 CO 0.07 -0.83 0.40 -0.36 -0.69 0.00 0.00 174.62 173.21 2pqe s PHE 34 N 4.21 3.48 -0.05 4.92 0.40 0.24 0.46 117.98 131.64 2pqe s PHE 34 Ca 0.48 0.44 -0.00 0.00 -0.60 0.00 0.00 56.93 57.24 2pqe s PHE 34 Cb -0.09 -1.92 0.03 0.00 0.51 0.00 0.00 43.02 41.54 2pqe s PHE 34 CO 0.26 0.38 -0.01 1.03 0.70 0.00 0.00 175.22 177.58 2pqe s ARG 35 N -3.12 0.61 0.02 0.44 1.81 -0.92 -1.28 118.95 116.51 2pqe s ARG 35 Ca 0.40 0.03 -0.32 0.00 -1.72 0.00 0.00 55.73 54.11 2pqe s ARG 35 Cb -0.11 -0.82 -0.11 0.00 -0.45 0.00 0.00 34.95 33.46 2pqe s ARG 35 CO 0.28 -0.19 1.87 1.28 -0.68 0.00 0.00 175.30 177.86 2pqe n LEU 36 N 4.54 3.75 -4.69 2.53 4.77 -0.89 -1.67 117.00 125.35 2pqe n LEU 36 Ca -0.17 0.97 -0.42 0.00 -0.03 0.00 0.00 56.01 56.35 2pqe n LEU 36 Cb 0.50 -1.46 -0.03 0.00 -2.33 0.00 0.00 43.42 40.10 2pqe n LEU 36 CO 0.17 0.05 1.34 -0.22 -1.33 0.00 0.00 177.39 177.40 2pqe s LEU 37 N 3.56 4.37 -1.48 2.23 2.96 -1.04 -2.67 118.68 126.60 2pqe s LEU 37 Ca 0.88 2.49 -0.12 0.00 -0.22 0.00 0.00 54.13 57.16 2pqe s LEU 37 Cb -0.57 -3.56 0.06 0.00 0.50 0.00 0.00 46.19 42.62 2pqe s LEU 37 CO 0.44 -0.90 0.92 0.18 -1.32 0.00 0.00 176.35 175.68 2pqe n LEU 38 N 5.68 -2.58 -3.95 -0.68 4.77 -1.26 -4.91 117.00 114.06 2pqe n LEU 38 Ca 0.16 -0.64 -0.15 0.00 -0.03 0.00 0.00 56.01 55.35 2pqe n LEU 38 Cb 0.40 -2.63 -0.14 0.00 -2.33 0.00 0.00 43.42 38.72 2pqe n LEU 38 CO 0.63 0.44 -0.39 -0.69 -1.33 0.00 0.00 177.39 176.04 2pqe s VAL 39 N -3.24 0.33 -0.26 4.08 1.01 -1.09 -2.56 120.40 118.67 2pqe s VAL 39 Ca 0.59 -0.27 0.02 0.00 0.00 0.00 0.00 61.98 62.32 2pqe s VAL 39 Cb -0.29 -0.30 0.06 0.00 0.00 0.00 0.00 36.38 35.86 2pqe s VAL 39 CO 0.72 0.04 -0.07 -0.62 0.00 0.00 0.00 175.10 175.17 2pqe s ASP 40 N -0.25 4.21 -0.67 3.32 -1.08 0.31 -4.52 116.67 117.98 2pqe s ASP 40 Ca 0.00 -1.38 -0.03 0.00 -0.52 0.00 0.00 52.55 50.62 2pqe s ASP 40 Cb -0.02 -1.38 0.17 0.00 -1.46 0.00 0.00 42.92 40.23 2pqe s ASP 40 CO -0.00 -0.23 0.50 -0.89 0.52 0.00 0.00 175.17 175.06 2pqe s THR 41 N 1.22 3.86 0.02 1.71 2.01 -1.26 -1.84 115.64 121.36 2pqe s THR 41 Ca -0.05 -3.10 0.00 0.00 0.31 0.00 0.00 61.69 58.85 2pqe s THR 41 Cb -0.19 -3.49 0.00 0.00 0.01 0.00 0.00 72.50 68.83 2pqe s THR 41 CO -0.06 -0.91 0.00 0.00 -0.69 0.00 0.00 174.62 172.95 2pqe n ALA 42 N 3.31 -2.83 -2.77 7.40 0.00 -1.26 -4.05 120.51 120.31 2pqe n ALA 42 Ca 0.10 0.09 -0.01 0.00 0.00 0.00 0.00 53.44 53.61 2pqe n ALA 42 Cb 0.38 -0.51 0.08 0.00 0.00 0.00 0.00 19.45 19.40 2pqe n ALA 42 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2pqe n GLU 43 N 0.33 1.56 -1.55 0.00 0.28 -1.26 -4.97 120.64 115.04 2pqe n GLU 43 Ca 0.00 -2.64 -0.26 0.00 -0.16 0.00 0.00 57.16 54.10 2pqe n GLU 43 Cb 0.00 -0.83 -0.07 0.00 1.43 0.00 0.00 31.44 31.97 2pqe n GLU 43 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 2pqe n THR 44 N -0.91 -0.04 -1.06 3.84 -2.24 -1.26 -4.73 114.28 107.88 2pqe n THR 44 Ca -0.02 -0.60 0.00 0.00 -2.27 0.00 0.00 64.05 61.16 2pqe n THR 44 Cb 0.83 -2.11 0.30 0.00 -2.10 0.00 0.00 70.33 67.25 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 8.65 3.47 0.00 -0.78 0.00 -1.26 -4.32 118.16 123.92 2pqe n LYS 45 Ca 0.45 -3.05 0.00 0.00 -0.00 0.00 0.00 58.31 55.72 2pqe n LYS 45 Cb 0.43 -2.08 0.00 0.00 -0.00 0.00 0.00 35.03 33.38 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 -0.26 0.00 -2.33 5.58 -0.00 -1.26 -5.07 115.22 111.89 2pqe n HIS 46 Ca 0.33 0.00 -0.07 0.00 0.46 0.00 0.00 57.72 58.44 2pqe n HIS 46 Cb 1.19 0.00 0.03 0.00 -0.12 0.00 0.00 29.99 31.09 2pqe n HIS 46 CO 0.00 0.00 0.00 2.41 0.46 0.00 0.00 176.34 179.21 2pqe n THR 47 N -1.70 -4.40 -0.07 3.57 -1.04 -1.26 -5.00 114.28 104.37 2pqe n THR 47 Ca 0.00 -0.55 -0.10 0.00 -2.04 0.00 0.00 64.05 61.35 2pqe n THR 47 Cb 0.31 -4.45 -0.09 0.00 -1.82 0.00 0.00 70.33 64.28 2pqe n THR 47 CO 0.00 0.00 0.00 0.50 -0.64 0.00 0.00 175.07 174.93 2pqe h LYS 48 N -0.53 0.00 0.00 -2.82 3.64 -1.97 -3.48 116.57 111.40 2pqe h LYS 48 Ca -0.27 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.11 2pqe h LYS 48 Cb 1.14 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.96 2pqe h LYS 48 CO 0.20 0.68 0.00 0.36 -2.27 0.00 0.00 179.45 178.41 2pqe n LYS 49 N -4.65 0.00 0.00 1.90 0.00 -1.26 -5.00 118.16 109.15 2pqe n LYS 49 Ca -0.09 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.22 2pqe n LYS 49 Cb 0.35 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.38 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 0.00 0.73 0.45 2.58 0.00 -1.26 -4.98 105.19 102.71 2pqe n GLY 50 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.09 2pqe n GLY 50 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2pqe n VAL 51 N 0.00 2.11 0.18 1.61 3.14 -1.26 -2.73 118.33 121.38 2pqe n VAL 51 Ca 0.00 -2.80 0.06 0.00 -2.96 0.00 0.00 64.34 58.64 2pqe n VAL 51 Cb 0.00 -0.25 0.53 0.00 -1.06 0.00 0.00 33.84 33.06 2pqe n VAL 51 CO 0.00 0.00 0.00 1.05 -6.46 0.00 0.00 176.83 171.42 2pqe h GLU 52 N 0.65 0.13 -0.01 1.45 4.11 -1.96 -3.34 114.58 115.62 2pqe h GLU 52 Ca 0.01 -0.02 -0.16 0.00 0.07 0.00 0.00 59.36 59.27 2pqe h GLU 52 Cb 1.06 -0.03 -0.15 0.00 0.50 0.00 0.00 28.75 30.13 2pqe h GLU 52 CO 0.03 0.17 -0.29 0.36 0.07 0.00 0.00 179.01 179.35 2pqe n LYS 53 N -4.43 0.93 -3.20 1.06 0.00 -1.26 -5.02 118.16 106.24 2pqe n LYS 53 Ca -0.01 -1.18 -0.15 0.00 -0.00 0.00 0.00 58.31 56.97 2pqe n LYS 53 Cb 0.15 0.42 0.07 0.00 -0.00 0.00 0.00 35.03 35.67 2pqe n LYS 53 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 2pqe n TYR 54 N -1.03 -2.30 -0.07 5.58 4.01 -1.25 -4.75 117.16 117.33 2pqe n TYR 54 Ca -0.21 0.83 -0.22 0.00 -0.16 0.00 0.00 57.90 58.14 2pqe n TYR 54 Cb 0.82 -4.21 -0.12 0.00 -0.31 0.00 0.00 39.34 35.52 2pqe n TYR 54 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2pqe n GLY 55 N -1.22 -0.66 0.18 2.72 0.00 -1.22 -3.27 105.19 101.73 2pqe n GLY 55 Ca -0.10 -0.07 0.01 0.00 0.00 0.00 0.00 46.02 45.85 2pqe n GLY 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pqe h ALA 56 N -0.33 1.27 0.00 4.61 0.00 -1.89 -2.82 119.26 120.11 2pqe h ALA 56 Ca -0.44 -0.38 -0.19 0.00 0.00 0.00 0.00 54.91 53.90 2pqe h ALA 56 Cb 1.64 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 19.33 2pqe h ALA 56 CO -0.13 0.53 -0.89 1.49 0.00 0.00 0.00 179.25 180.26 2pqe h GLU 57 N 0.06 0.00 -0.31 0.00 4.57 -1.83 -2.93 114.58 114.13 2pqe h GLU 57 Ca 0.00 0.00 0.03 0.00 -1.18 0.00 0.00 59.36 58.21 2pqe h GLU 57 Cb 0.74 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.30 2pqe h GLU 57 CO 0.06 0.89 0.12 0.00 -1.18 0.00 0.00 179.01 178.90 2pqe h ALA 58 N 1.11 0.37 -0.20 2.92 0.00 -1.48 0.85 119.26 122.83 2pqe h ALA 58 Ca -0.01 0.03 -0.18 0.00 0.00 0.00 0.00 54.91 54.75 2pqe h ALA 58 Cb 1.60 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.38 2pqe h ALA 58 CO 0.12 -0.27 -0.61 1.03 0.00 0.00 0.00 179.25 179.51 2pqe h SER 59 N 0.27 0.77 -0.35 0.00 0.87 -1.63 -2.74 113.55 110.74 2pqe h SER 59 Ca 0.14 -0.44 -0.03 0.00 -1.23 0.00 0.00 61.79 60.23 2pqe h SER 59 Cb 0.09 -0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 61.81 2pqe h SER 59 CO -0.13 1.20 0.13 0.00 -0.53 0.00 0.00 176.83 177.50 2pqe h ALA 60 N 0.81 1.47 -0.06 6.23 0.00 -1.26 1.02 119.26 127.47 2pqe h ALA 60 Ca -0.01 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 2pqe h ALA 60 Cb 1.20 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.81 2pqe h ALA 60 CO 0.12 0.40 -0.11 0.35 0.00 0.00 0.00 179.25 180.01 2pqe h PHE 61 N 0.59 0.23 -0.04 0.00 3.04 -0.76 -2.41 116.94 117.59 2pqe h PHE 61 Ca 0.14 -0.08 -0.09 0.00 3.98 0.00 0.00 57.97 61.92 2pqe h PHE 61 Cb 0.17 -0.04 0.01 0.00 2.56 0.00 0.00 35.95 38.64 2pqe h PHE 61 CO 0.01 0.69 -0.33 1.15 -2.02 0.00 0.00 178.31 177.81 2pqe h THR 62 N -0.30 1.46 -0.98 4.41 2.02 -1.28 -2.07 112.91 116.16 2pqe h THR 62 Ca 0.00 -1.82 0.09 0.00 0.77 0.00 0.00 66.41 65.46 2pqe h THR 62 Cb 0.67 2.48 -0.07 0.00 -1.74 0.00 0.00 68.15 69.49 2pqe h THR 62 CO 0.02 0.52 0.63 0.50 0.37 0.00 0.00 175.52 177.56 2pqe h LYS 63 N -0.25 1.02 0.12 6.66 3.64 0.99 0.40 116.57 129.15 2pqe h LYS 63 Ca -0.03 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.28 2pqe h LYS 63 Cb 1.01 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 32.60 2pqe h LYS 63 CO 0.07 0.67 -0.06 0.87 -2.27 0.00 0.00 179.45 178.73 2pqe h LYS 64 N 1.05 -0.16 -0.31 1.90 6.56 -1.49 -1.46 116.57 122.66 2pqe h LYS 64 Ca 0.46 0.01 0.06 0.00 -1.06 0.00 0.00 60.65 60.12 2pqe h LYS 64 Cb 0.34 0.04 -0.02 0.00 -0.57 0.00 0.00 32.23 32.03 2pqe h LYS 64 CO -0.21 0.19 0.22 1.98 -2.06 0.00 0.00 179.45 179.57 2pqe h MET 65 N -0.97 0.13 0.13 3.15 4.05 -1.26 0.81 114.93 120.97 2pqe h MET 65 Ca -0.02 -0.01 -0.21 0.00 -0.28 0.00 0.00 59.70 59.19 2pqe h MET 65 Cb 0.43 -0.03 0.01 0.00 -0.80 0.00 0.00 31.60 31.21 2pqe h MET 65 CO 0.03 0.09 -0.97 -0.24 0.23 0.00 0.00 176.91 176.04 2pqe h VAL 66 N 0.14 1.37 0.00 -5.77 3.04 -0.29 -1.87 116.25 112.87 2pqe h VAL 66 Ca 0.14 -2.49 -0.08 0.00 -1.01 0.00 0.00 66.70 63.26 2pqe h VAL 66 Cb 0.39 3.05 -0.01 0.00 -2.01 0.00 0.00 31.29 32.71 2pqe h VAL 66 CO -0.02 0.70 -0.37 -0.33 -1.01 0.00 0.00 177.57 176.54 2pqe h GLU 67 N -0.38 0.00 0.00 4.17 4.39 -0.86 -3.19 114.58 118.71 2pqe h GLU 67 Ca -0.19 0.00 -0.27 0.00 0.34 0.00 0.00 59.36 59.24 2pqe h GLU 67 Cb 1.65 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 30.26 2pqe h GLU 67 CO 0.11 0.37 -1.53 -0.97 -1.16 0.00 0.00 179.01 175.83 2pqe h ASN 68 N 0.00 0.00 -0.42 1.42 -0.73 0.51 -3.33 115.58 113.04 2pqe h ASN 68 Ca -0.00 -0.01 0.08 0.00 1.87 0.00 0.00 56.30 58.24 2pqe h ASN 68 Cb 1.03 -0.00 -0.02 0.00 0.27 0.00 0.00 38.32 39.60 2pqe h ASN 68 CO 0.05 1.01 0.29 0.00 -0.37 0.00 0.00 177.43 178.41 2pqe h ALA 69 N 0.99 2.12 0.00 1.57 0.00 -1.32 -3.45 119.26 119.17 2pqe h ALA 69 Ca -0.22 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.68 2pqe h ALA 69 Cb 1.95 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.71 2pqe h ALA 69 CO 0.09 -0.22 0.00 1.63 0.00 0.00 0.00 179.25 180.76 2pqe n LYS 70 N -4.46 0.00 -3.83 0.00 5.02 -1.25 -4.59 118.16 109.05 2pqe n LYS 70 Ca 0.06 0.00 -0.25 0.00 -2.02 0.00 0.00 58.31 56.11 2pqe n LYS 70 Cb 0.34 -1.33 -0.17 0.00 -0.02 0.00 0.00 35.03 33.84 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 0.99 -0.04 1.97 2.20 -1.26 -4.89 119.74 118.71 2pqe s LYS 71 Ca 0.00 -0.04 0.06 0.00 -0.36 0.00 0.00 55.97 55.63 2pqe s LYS 71 Cb 0.00 -1.23 -0.01 0.00 -1.51 0.00 0.00 37.83 35.07 2pqe s LYS 71 CO 0.00 -0.29 -0.23 0.42 -0.36 0.00 0.00 175.35 174.89 2pqe s ILE 72 N 1.86 1.83 0.05 5.43 1.09 -1.26 0.68 121.20 130.89 2pqe s ILE 72 Ca 0.05 -0.96 0.06 0.00 -1.10 0.00 0.00 60.65 58.70 2pqe s ILE 72 Cb -0.12 -1.54 -0.03 0.00 -1.06 0.00 0.00 42.46 39.71 2pqe s ILE 72 CO -0.06 0.52 -0.17 -1.61 -0.10 0.00 0.00 174.94 173.51 2pqe s GLU 73 N -0.24 1.07 0.07 2.79 2.02 0.18 -2.40 118.70 122.19 2pqe s GLU 73 Ca 0.01 -0.88 0.06 0.00 0.02 0.00 0.00 54.97 54.17 2pqe s GLU 73 Cb -0.12 -1.14 -0.03 0.00 0.10 0.00 0.00 34.13 32.95 2pqe s GLU 73 CO 0.02 0.28 -0.16 0.14 0.02 0.00 0.00 175.26 175.56 2pqe s VAL 74 N -0.92 1.29 -0.15 2.63 -7.23 -1.00 0.37 120.40 115.38 2pqe s VAL 74 Ca 0.03 -1.31 -0.01 0.00 -1.81 0.00 0.00 61.98 58.89 2pqe s VAL 74 Cb -0.09 -1.20 0.04 0.00 0.56 0.00 0.00 36.38 35.70 2pqe s VAL 74 CO 0.02 -0.13 -0.05 -0.70 -0.31 0.00 0.00 175.10 173.94 2pqe s GLU 75 N -1.65 1.34 0.36 4.82 2.12 -0.82 -1.15 118.70 123.72 2pqe s GLU 75 Ca 0.01 -0.44 -0.23 0.00 0.36 0.00 0.00 54.97 54.67 2pqe s GLU 75 Cb -0.10 -1.90 -0.10 0.00 0.26 0.00 0.00 34.13 32.30 2pqe s GLU 75 CO 0.03 -0.42 0.92 -0.06 -0.54 0.00 0.00 175.26 175.19 2pqe s PHE 76 N 1.68 3.51 0.00 5.30 0.40 -1.26 -1.57 117.98 126.04 2pqe s PHE 76 Ca 0.01 1.65 0.00 0.00 -0.60 0.00 0.00 56.93 58.00 2pqe s PHE 76 Cb -0.15 -2.85 0.00 0.00 0.51 0.00 0.00 43.02 40.53 2pqe s PHE 76 CO -0.08 0.08 0.00 -0.40 0.70 0.00 0.00 175.22 175.52 2pqe n ASP 77 N 0.01 0.00 -0.02 1.36 5.75 -1.26 -4.99 116.55 117.40 2pqe n ASP 77 Ca 0.04 0.00 0.03 0.00 -0.01 0.00 0.00 54.79 54.85 2pqe n ASP 77 Cb 0.52 0.00 -0.09 0.00 -1.03 0.00 0.00 41.12 40.52 2pqe n ASP 77 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2pqe n LYS 78 N 0.00 0.79 0.00 0.11 4.76 -1.25 -4.91 118.16 117.66 2pqe n LYS 78 Ca 0.00 -0.08 0.00 0.00 -2.87 0.00 0.00 58.31 55.36 2pqe n LYS 78 Cb 0.00 -1.27 0.00 0.00 -1.84 0.00 0.00 35.03 31.92 2pqe n LYS 78 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2pqe n GLY 79 N 1.97 -2.02 3.34 0.72 0.00 0.29 -4.91 105.19 104.58 2pqe n GLY 79 Ca -0.06 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.65 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 2.54 0.36 1.61 -2.07 -1.26 -4.93 119.66 115.91 2pqe s GLN 80 Ca 0.00 -0.83 0.18 0.00 -1.82 0.00 0.00 55.36 52.89 2pqe s GLN 80 Cb 0.00 -2.25 0.62 0.00 -1.09 0.00 0.00 33.01 30.30 2pqe s GLN 80 CO 0.00 0.46 1.70 -0.09 -1.32 0.00 0.00 175.29 176.05 2pqe h ARG 81 N 5.83 0.00 -3.06 9.60 2.43 -1.91 -3.42 114.38 123.85 2pqe h ARG 81 Ca -0.37 0.00 -0.42 0.00 -0.81 0.00 0.00 59.98 58.38 2pqe h ARG 81 Cb 1.16 0.00 -0.40 0.00 -0.42 0.00 0.00 29.97 30.31 2pqe h ARG 81 CO 0.49 0.39 -0.73 0.95 -1.51 0.00 0.00 179.97 179.56 2pqe s THR 82 N -3.55 -0.12 -0.67 0.20 -4.23 -1.26 -1.76 115.64 104.26 2pqe s THR 82 Ca 0.00 -0.01 -0.16 0.00 -1.18 0.00 0.00 61.69 60.35 2pqe s THR 82 Cb 0.11 -0.48 -0.13 0.00 1.34 0.00 0.00 72.50 73.33 2pqe s THR 82 CO 0.69 -0.16 1.87 -0.67 -0.54 0.00 0.00 174.62 175.81 2pqe n ASP 83 N 5.29 2.89 -2.22 3.99 2.03 -1.26 -4.25 116.55 123.02 2pqe n ASP 83 Ca -0.06 -2.49 -0.09 0.00 0.52 0.00 0.00 54.79 52.67 2pqe n ASP 83 Cb 0.49 -0.99 -0.01 0.00 -0.72 0.00 0.00 41.12 39.89 2pqe n ASP 83 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2pqe n LYS 84 N 6.04 -2.17 -0.38 -0.67 4.76 -1.26 -4.71 118.16 119.78 2pqe n LYS 84 Ca 0.43 0.48 0.00 0.00 -2.87 0.00 0.00 58.31 56.35 2pqe n LYS 84 Cb 0.28 -4.97 0.00 0.00 -1.84 0.00 0.00 35.03 28.50 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 -2.87 0.00 -1.99 2.13 4.01 -1.26 -4.99 117.16 112.18 2pqe n TYR 85 Ca -0.11 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.52 2pqe n TYR 85 Cb 0.53 -0.04 -0.02 0.00 -0.31 0.00 0.00 39.34 39.50 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 0.00 0.14 2.10 2.72 0.00 -1.26 -4.93 105.19 103.96 2pqe n GLY 86 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.36 -0.10 -3.38 1.61 1.74 -1.26 -4.82 116.66 108.09 2pqe n ARG 87 Ca -0.13 -1.35 -0.32 0.00 -0.77 0.00 0.00 57.85 55.29 2pqe n ARG 87 Cb 0.51 -0.49 -0.06 0.00 -1.02 0.00 0.00 32.46 31.39 2pqe n ARG 87 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2pqe n GLY 88 N 0.65 4.79 3.56 -0.13 0.00 0.17 -4.09 105.19 110.14 2pqe n GLY 88 Ca 0.09 -2.72 -0.47 0.00 0.00 0.00 0.00 46.02 42.92 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 1.17 2.89 0.00 0.99 4.77 -0.72 -2.15 117.00 123.95 2pqe n LEU 89 Ca 0.28 0.45 0.00 0.00 -0.03 0.00 0.00 56.01 56.70 2pqe n LEU 89 Cb 0.38 -1.41 0.00 0.00 -2.33 0.00 0.00 43.42 40.07 2pqe n LEU 89 CO 0.47 -0.56 0.00 0.00 -1.33 0.00 0.00 177.39 175.97 2pqe n ALA 90 N 9.92 0.00 -1.76 -1.18 0.00 -0.67 -4.28 120.51 122.53 2pqe n ALA 90 Ca 0.33 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.38 2pqe n ALA 90 Cb 0.33 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.72 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 3.84 -0.14 0.00 2.02 -0.61 -2.50 117.35 117.96 2pqe s TYR 91 Ca 0.00 1.85 -0.05 0.00 -0.37 0.00 0.00 57.07 58.50 2pqe s TYR 91 Cb 0.00 -2.96 -0.04 0.00 -0.40 0.00 0.00 41.96 38.56 2pqe s TYR 91 CO 0.00 0.31 0.05 0.42 -1.57 0.00 0.00 175.55 174.77 2pqe s ILE 92 N -1.39 4.73 -0.07 2.71 -1.09 -1.26 -1.94 121.20 122.88 2pqe s ILE 92 Ca 0.45 -0.07 0.01 0.00 -2.23 0.00 0.00 60.65 58.81 2pqe s ILE 92 Cb -0.23 -3.07 0.02 0.00 -1.58 0.00 0.00 42.46 37.60 2pqe s ILE 92 CO 0.28 0.54 -0.08 -0.31 -1.23 0.00 0.00 174.94 174.14 2pqe s TYR 93 N -0.31 1.20 -0.21 3.97 2.02 0.16 -1.96 117.35 122.23 2pqe s TYR 93 Ca 0.08 -0.46 -0.06 0.00 -0.37 0.00 0.00 57.07 56.26 2pqe s TYR 93 Cb -0.12 -0.97 -0.03 0.00 -0.40 0.00 0.00 41.96 40.44 2pqe s TYR 93 CO 0.02 -0.31 0.02 0.00 -1.57 0.00 0.00 175.55 173.71 2pqe s ALA 94 N 1.07 3.09 -1.76 3.71 0.00 0.14 0.51 121.76 128.52 2pqe s ALA 94 Ca -0.08 -1.00 -0.15 0.00 0.00 0.00 0.00 51.96 50.73 2pqe s ALA 94 Cb -0.14 -1.85 0.15 0.00 0.00 0.00 0.00 23.12 21.28 2pqe s ALA 94 CO -0.01 -0.20 0.43 -3.47 0.00 0.00 0.00 175.76 172.51 2pqe n ASP 95 N 4.34 -1.05 -0.08 0.00 2.03 0.21 0.16 116.55 122.16 2pqe n ASP 95 Ca -0.17 -1.23 -0.01 0.00 0.52 0.00 0.00 54.79 53.90 2pqe n ASP 95 Cb 0.52 -1.73 -0.00 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 -1.58 0.46 3.34 0.27 0.00 -1.26 -5.04 105.19 101.37 2pqe n GLY 96 Ca -0.03 -1.02 -0.31 0.00 0.00 0.00 0.00 46.02 44.66 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 -2.04 2.18 -0.33 1.61 2.20 0.41 -5.10 119.74 118.68 2pqe s LYS 97 Ca 0.00 -0.89 -0.28 0.00 -0.36 0.00 0.00 55.97 54.44 2pqe s LYS 97 Cb 0.00 -2.10 0.02 0.00 -1.51 0.00 0.00 37.83 34.24 2pqe s LYS 97 CO 0.00 0.57 1.04 1.41 -0.36 0.00 0.00 175.35 178.01 2pqe s MET 98 N -0.62 4.02 0.11 4.03 -2.45 -1.26 0.26 119.30 123.39 2pqe s MET 98 Ca 0.10 0.96 -0.11 0.00 -1.25 0.00 0.00 55.69 55.39 2pqe s MET 98 Cb -0.10 -3.75 -0.12 0.00 1.25 0.00 0.00 34.83 32.11 2pqe s MET 98 CO -0.01 -0.91 1.34 0.28 1.05 0.00 0.00 175.02 176.77 2pqe h VAL 99 N 5.75 1.28 -0.03 10.11 2.07 -1.77 -1.59 116.25 132.08 2pqe h VAL 99 Ca -0.21 -1.93 -0.00 0.00 0.82 0.00 0.00 66.70 65.37 2pqe h VAL 99 Cb 1.06 1.92 -0.00 0.00 -1.52 0.00 0.00 31.29 32.75 2pqe h VAL 99 CO 1.02 0.62 0.01 -0.55 0.02 0.00 0.00 177.57 178.69 2pqe h ASN 100 N 0.55 0.03 -0.40 0.57 7.08 -1.92 -1.18 115.58 120.32 2pqe h ASN 100 Ca -0.04 -0.10 -0.09 0.00 -3.08 0.00 0.00 56.30 52.99 2pqe h ASN 100 Cb 1.35 -0.01 -0.01 0.00 -2.08 0.00 0.00 38.32 37.57 2pqe h ASN 100 CO 0.15 0.13 -0.10 -0.33 -2.08 0.00 0.00 177.43 175.20 2pqe h GLU 101 N -0.06 0.78 -0.46 4.14 5.08 -1.94 -2.28 114.58 119.84 2pqe h GLU 101 Ca 0.01 -0.30 0.03 0.00 -1.00 0.00 0.00 59.36 58.10 2pqe h GLU 101 Cb 0.10 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.27 2pqe h GLU 101 CO -0.00 0.91 0.24 0.00 -1.00 0.00 0.00 179.01 179.16 2pqe h ALA 102 N 0.85 0.58 0.25 3.43 0.00 -1.20 0.43 119.26 123.59 2pqe h ALA 102 Ca 0.10 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 2pqe h ALA 102 Cb 0.62 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.33 2pqe h ALA 102 CO 0.04 -0.10 -0.12 -0.07 0.00 0.00 0.00 179.25 179.00 2pqe h LEU 103 N 0.48 -0.28 0.09 0.00 3.38 -1.17 -1.71 115.31 116.10 2pqe h LEU 103 Ca 0.20 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 2pqe h LEU 103 Cb 0.08 0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.91 2pqe h LEU 103 CO -0.13 -0.04 -0.04 0.58 0.09 0.00 0.00 178.44 178.90 2pqe h VAL 104 N -0.52 0.97 -0.39 1.22 2.07 -1.26 0.92 116.25 119.27 2pqe h VAL 104 Ca -0.03 -0.20 0.10 0.00 0.82 0.00 0.00 66.70 67.38 2pqe h VAL 104 Cb 0.38 1.10 -0.02 0.00 -1.52 0.00 0.00 31.29 31.24 2pqe h VAL 104 CO 0.06 0.05 0.27 0.08 0.02 0.00 0.00 177.57 178.05 2pqe h ARG 105 N -0.21 0.09 0.00 1.57 0.11 -0.19 0.32 114.38 116.08 2pqe h ARG 105 Ca -0.01 -0.01 -0.05 0.00 0.10 0.00 0.00 59.98 60.01 2pqe h ARG 105 Cb 0.17 -0.02 -0.01 0.00 1.11 0.00 0.00 29.97 31.22 2pqe h ARG 105 CO 0.02 0.06 -0.85 0.37 0.10 0.00 0.00 179.97 179.67 2pqe h GLN 106 N 0.09 0.00 -0.18 0.08 4.15 -0.88 -3.46 115.11 114.91 2pqe h GLN 106 Ca 0.18 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.60 2pqe h GLN 106 Cb 0.61 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.30 2pqe h GLN 106 CO -0.02 0.13 0.00 0.41 -1.93 0.00 0.00 178.83 177.42 2pqe n GLY 107 N 1.22 0.98 0.02 2.39 0.00 0.79 -4.13 105.19 106.46 2pqe n GLY 107 Ca -0.01 -0.12 -0.02 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.09 1.34 -4.44 0.99 7.99 0.28 -0.14 117.00 122.93 2pqe n LEU 108 Ca 0.00 -0.01 -0.27 0.00 -0.01 0.00 0.00 56.01 55.73 2pqe n LEU 108 Cb 0.09 -0.02 -0.11 0.00 -0.11 0.00 0.00 43.42 43.27 2pqe n LEU 108 CO 0.00 0.30 -0.52 0.00 -1.51 0.00 0.00 177.39 175.66 2pqe s ALA 109 N -2.08 2.59 0.29 -1.18 0.00 -1.13 -4.41 121.76 115.85 2pqe s ALA 109 Ca -0.03 -1.66 0.02 0.00 0.00 0.00 0.00 51.96 50.29 2pqe s ALA 109 Cb 0.01 -0.35 -0.01 0.00 0.00 0.00 0.00 23.12 22.77 2pqe s ALA 109 CO 0.11 0.41 0.09 0.36 0.00 0.00 0.00 175.76 176.73 2pqe n LYS 110 N 0.14 0.74 -2.40 0.00 -0.00 -0.77 -3.85 118.16 112.02 2pqe n LYS 110 Ca -0.11 -2.43 -0.43 0.00 -0.00 0.00 0.00 58.31 55.34 2pqe n LYS 110 Cb 0.56 1.24 -0.02 0.00 -0.00 0.00 0.00 35.03 36.81 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 -2.58 4.24 -0.15 0.58 1.01 -1.26 -0.53 120.40 121.71 2pqe s VAL 111 Ca 0.13 1.50 0.19 0.00 0.00 0.00 0.00 61.98 63.79 2pqe s VAL 111 Cb 0.01 -3.97 0.16 0.00 0.00 0.00 0.00 36.38 32.57 2pqe s VAL 111 CO 0.09 -0.13 1.56 0.00 0.00 0.00 0.00 175.10 176.62 2pqe h ALA 112 N 8.25 0.81 -4.18 5.51 0.00 -1.73 -3.44 119.26 124.48 2pqe h ALA 112 Ca -0.27 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.33 2pqe h ALA 112 Cb 1.11 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.85 2pqe h ALA 112 CO 0.97 0.43 -0.84 0.66 0.00 0.00 0.00 179.25 180.46 2pqe n TYR 113 N -3.23 -4.24 -4.32 0.00 4.01 -1.26 -4.91 117.16 103.20 2pqe n TYR 113 Ca 0.02 2.53 -0.23 0.00 -0.16 0.00 0.00 57.90 60.06 2pqe n TYR 113 Cb 0.63 -3.56 -0.08 0.00 -0.31 0.00 0.00 39.34 36.03 2pqe n TYR 113 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 2pqe s VAL 114 N -0.49 3.11 0.13 -0.72 0.11 -1.26 -4.98 120.40 116.30 2pqe s VAL 114 Ca 0.00 -2.00 -0.32 0.00 -2.93 0.00 0.00 61.98 56.73 2pqe s VAL 114 Cb 0.00 -2.75 -0.09 0.00 -1.53 0.00 0.00 36.38 32.01 2pqe s VAL 114 CO 0.00 -0.34 1.56 0.22 -3.33 0.00 0.00 175.10 173.21 2pqe h TYR 115 N 1.92 -1.54 0.00 1.54 3.20 -1.96 -3.46 116.97 116.66 2pqe h TYR 115 Ca -0.43 0.07 0.00 0.00 3.14 0.00 0.00 58.73 61.51 2pqe h TYR 115 Cb 1.25 0.71 0.00 0.00 1.54 0.00 0.00 36.73 40.23 2pqe h TYR 115 CO 0.71 -0.51 0.00 0.36 -1.64 0.00 0.00 178.16 177.08 2pqe n LYS 116 N -5.41 0.00 0.02 1.82 2.85 -1.26 -4.97 118.16 111.21 2pqe n LYS 116 Ca -0.04 0.00 0.22 0.00 -1.05 0.00 0.00 58.31 57.44 2pqe n LYS 116 Cb 0.36 0.00 0.73 0.00 -0.65 0.00 0.00 35.03 35.47 2pqe n LYS 116 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 177.40 178.13 2pqe h GLY 117 N 0.00 0.00 -4.07 2.58 0.00 -1.93 -0.20 103.07 99.44 2pqe h GLY 117 Ca 0.00 0.00 -0.65 0.00 0.00 0.00 0.00 47.33 46.68 2pqe h GLY 117 CO 0.00 0.00 0.33 0.70 0.00 0.00 0.00 176.54 177.57 2pqe n ASN 118 N -3.95 6.75 -3.08 0.19 3.02 -1.26 0.11 115.26 117.03 2pqe n ASN 118 Ca 0.10 -3.78 -0.32 0.00 -0.03 0.00 0.00 54.58 50.55 2pqe n ASN 118 Cb 0.68 -0.78 -0.01 0.00 -0.61 0.00 0.00 39.78 39.06 2pqe n ASN 118 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 2pqe n ASN 119 N -0.79 5.59 -0.07 6.41 2.85 -0.09 -4.78 115.26 124.38 2pqe n ASN 119 Ca 0.55 -3.71 -0.05 0.00 -0.11 0.00 0.00 54.58 51.27 2pqe n ASN 119 Cb 0.70 -0.76 -0.02 0.00 1.24 0.00 0.00 39.78 40.94 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 -0.25 1.31 -1.09 -0.44 -1.04 -1.26 -4.49 114.28 107.02 2pqe n THR 120 Ca 0.38 0.24 -0.04 0.00 -2.04 0.00 0.00 64.05 62.59 2pqe n THR 120 Cb 0.38 -2.32 0.29 0.00 -1.82 0.00 0.00 70.33 66.85 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 -4.42 2.15 0.06 -1.42 8.25 -1.26 -4.60 115.22 113.99 2pqe n HIS 121 Ca -0.07 -1.22 0.21 0.00 -0.26 0.00 0.00 57.72 56.38 2pqe n HIS 121 Cb 0.26 -0.63 0.72 0.00 1.12 0.00 0.00 29.99 31.46 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 2.36 0.00 -0.04 -0.41 4.22 -1.86 -0.37 114.58 118.47 2pqe h GLU 122 Ca 0.24 0.00 -0.00 0.00 0.08 0.00 0.00 59.36 59.67 2pqe h GLU 122 Cb 2.18 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 31.43 2pqe h GLU 122 CO 0.65 0.00 0.01 0.37 -2.18 0.00 0.00 179.01 177.86 2pqe h GLN 123 N 0.00 0.07 -0.33 1.92 4.15 -1.93 0.17 115.11 119.16 2pqe h GLN 123 Ca 0.23 -0.02 0.01 0.00 0.77 0.00 0.00 58.65 59.63 2pqe h GLN 123 Cb 1.24 -0.01 -0.02 0.00 0.21 0.00 0.00 27.48 28.91 2pqe h GLN 123 CO -0.00 0.31 0.21 -0.07 -1.93 0.00 0.00 178.83 177.35 2pqe h LEU 124 N -0.19 0.36 -0.41 -2.39 3.38 -1.44 0.07 115.31 114.70 2pqe h LEU 124 Ca 0.01 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 2pqe h LEU 124 Cb 0.28 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 2pqe h LEU 124 CO 0.00 0.26 0.07 -0.07 0.09 0.00 0.00 178.44 178.80 2pqe h LEU 125 N 0.44 0.64 -1.06 1.67 4.07 -1.46 -1.33 115.31 118.27 2pqe h LEU 125 Ca 0.12 -0.25 -0.00 0.00 0.08 0.00 0.00 57.88 57.83 2pqe h LEU 125 Cb -0.04 -0.17 -0.04 0.00 1.08 0.00 0.00 40.66 41.49 2pqe h LEU 125 CO -0.04 0.73 0.55 0.03 -1.08 0.00 0.00 178.44 178.63 2pqe h ARG 126 N 0.53 1.19 -0.25 1.13 2.47 -0.39 -1.81 114.38 117.24 2pqe h ARG 126 Ca 0.13 -0.10 -0.07 0.00 -1.26 0.00 0.00 59.98 58.68 2pqe h ARG 126 Cb 0.36 -0.25 -0.01 0.00 -1.65 0.00 0.00 29.97 28.41 2pqe h ARG 126 CO 0.01 0.82 -0.10 0.87 0.56 0.00 0.00 179.97 182.12 2pqe h LYS 127 N 1.21 0.51 -0.16 0.04 6.56 -0.77 -1.78 116.57 122.19 2pqe h LYS 127 Ca 0.32 -0.21 0.01 0.00 -1.06 0.00 0.00 60.65 59.71 2pqe h LYS 127 Cb -0.07 -0.02 -0.01 0.00 -0.57 0.00 0.00 32.23 31.56 2pqe h LYS 127 CO -0.06 0.76 0.11 1.03 -2.06 0.00 0.00 179.45 179.22 2pqe h SER 128 N 0.24 0.13 -0.01 0.86 0.87 -0.90 -0.84 113.55 113.89 2pqe h SER 128 Ca 0.06 -0.00 -0.07 0.00 -1.23 0.00 0.00 61.79 60.54 2pqe h SER 128 Cb 0.60 -0.03 0.01 0.00 -0.44 0.00 0.00 62.40 62.53 2pqe h SER 128 CO 0.03 0.09 -0.29 -0.08 -0.53 0.00 0.00 176.83 176.06 2pqe h GLU 129 N 0.15 0.20 -0.11 2.24 4.81 -1.14 -2.48 114.58 118.26 2pqe h GLU 129 Ca 0.06 -0.21 0.01 0.00 -0.13 0.00 0.00 59.36 59.09 2pqe h GLU 129 Cb 0.07 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.49 2pqe h GLU 129 CO -0.01 0.93 0.02 0.00 -0.73 0.00 0.00 179.01 179.22 2pqe h ALA 130 N 0.28 0.10 -0.77 2.92 0.00 -0.87 0.36 119.26 121.27 2pqe h ALA 130 Ca -0.03 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 2pqe h ALA 130 Cb 1.03 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.80 2pqe h ALA 130 CO 0.06 -0.44 0.47 -0.56 0.00 0.00 0.00 179.25 178.78 2pqe h GLN 131 N 0.07 1.05 -0.24 0.00 -0.00 -1.28 -0.99 115.11 113.73 2pqe h GLN 131 Ca 0.05 -0.10 -0.12 0.00 -0.00 0.00 0.00 58.65 58.48 2pqe h GLN 131 Cb 0.04 -0.22 -0.01 0.00 -0.00 0.00 0.00 27.48 27.29 2pqe h GLN 131 CO -0.06 0.74 -0.35 0.00 -0.00 0.00 0.00 178.83 179.16 2pqe h ALA 132 N 1.25 0.95 0.08 0.06 0.00 -1.07 -2.15 119.26 118.37 2pqe h ALA 132 Ca 0.28 -0.41 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 2pqe h ALA 132 Cb -0.04 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.64 2pqe h ALA 132 CO -0.05 0.62 -0.04 -0.22 0.00 0.00 0.00 179.25 179.55 2pqe h LYS 133 N 0.44 -0.11 -0.90 0.00 3.11 0.25 0.30 116.57 119.66 2pqe h LYS 133 Ca 0.05 0.01 -0.02 0.00 -2.81 0.00 0.00 60.65 57.88 2pqe h LYS 133 Cb 0.82 0.02 -0.04 0.00 -1.00 0.00 0.00 32.23 32.03 2pqe h LYS 133 CO 0.07 0.18 0.50 1.57 -2.81 0.00 0.00 179.45 178.96 2pqe h LYS 134 N -0.39 1.26 0.00 1.90 2.10 -1.20 -2.32 116.57 117.91 2pqe h LYS 134 Ca -0.01 -0.14 -0.09 0.00 -2.00 0.00 0.00 60.65 58.41 2pqe h LYS 134 Cb 0.33 -0.25 -0.01 0.00 -0.90 0.00 0.00 32.23 31.40 2pqe h LYS 134 CO 0.02 0.91 -0.41 0.93 -2.00 0.00 0.00 179.45 178.90 2pqe h GLU 135 N 1.26 0.00 -5.46 0.07 4.39 -1.33 -3.48 114.58 110.03 2pqe h GLU 135 Ca 0.32 0.00 -0.14 0.00 0.34 0.00 0.00 59.36 59.87 2pqe h GLU 135 Cb 0.01 0.00 0.10 0.00 -0.10 0.00 0.00 28.75 28.76 2pqe h GLU 135 CO -0.05 0.41 -0.47 1.63 -1.16 0.00 0.00 179.01 179.36 2pqe n LYS 136 N -3.31 -1.78 0.00 2.33 4.76 0.11 -4.99 118.16 115.27 2pqe n LYS 136 Ca 0.01 1.14 0.00 0.00 -2.87 0.00 0.00 58.31 56.60 2pqe n LYS 136 Cb 0.63 -5.70 0.00 0.00 -1.84 0.00 0.00 35.03 28.12 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 -2.58 1.27 0.00 -0.35 4.77 -1.15 -4.62 117.00 114.33 2pqe n LEU 137 Ca -0.04 0.31 0.00 0.00 -0.03 0.00 0.00 56.01 56.25 2pqe n LEU 137 Cb 0.57 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.62 2pqe n LEU 137 CO 0.57 -0.04 0.00 0.59 -1.33 0.00 0.00 177.39 177.18 2pqe n ASN 138 N -0.61 0.00 -0.25 -1.43 3.02 -1.25 -4.73 115.26 110.01 2pqe n ASN 138 Ca 0.00 0.00 0.08 0.00 -0.03 0.00 0.00 54.58 54.63 2pqe n ASN 138 Cb 0.00 0.00 0.34 0.00 -0.61 0.00 0.00 39.78 39.51 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 0.94 -0.90 2.41 3.07 -0.83 -0.66 117.51 121.54 2pqe h ILE 139 Ca 0.00 -0.27 -0.55 0.00 1.55 0.00 0.00 64.86 65.59 2pqe h ILE 139 Cb 0.00 0.09 -0.27 0.00 -0.27 0.00 0.00 36.82 36.37 2pqe h ILE 139 CO 0.00 0.14 0.70 0.79 -1.05 0.00 0.00 178.15 178.74 2pqe n TRP 140 N -4.52 2.84 -1.65 0.16 5.03 -1.26 -4.35 117.44 113.69 2pqe n TRP 140 Ca 0.14 -2.35 -0.04 0.00 3.03 0.00 0.00 57.50 58.29 2pqe n TRP 140 Cb 0.33 -1.15 0.16 0.00 -1.03 0.00 0.00 31.31 29.62 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 -0.80 2.71 -1.23 -0.99 7.64 -0.26 -4.19 113.62 116.50 2pqe n SER 141 Ca 0.55 -3.85 -0.05 0.00 1.01 0.00 0.00 58.87 56.53 2pqe n SER 141 Cb 1.04 -0.53 -0.04 0.00 -1.01 0.00 0.00 64.21 63.67 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 -1.03 0.15 -4.03 1.43 0.28 -1.26 -5.02 120.64 111.15 2pqe n GLU 142 Ca 0.29 -1.16 -0.34 0.00 -0.16 0.00 0.00 57.16 55.79 2pqe n GLU 142 Cb 0.83 0.41 -0.15 0.00 1.43 0.00 0.00 31.44 33.96 2pqe n GLU 142 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 2pqe s ASP 143 N -1.16 3.92 -0.33 -1.84 2.15 -1.26 -5.06 116.67 113.09 2pqe s ASP 143 Ca 0.05 -0.86 -0.02 0.00 0.43 0.00 0.00 52.55 52.15 2pqe s ASP 143 Cb 0.09 -1.58 0.12 0.00 -0.30 0.00 0.00 42.92 41.25 2pqe s ASP 143 CO -0.03 -0.09 0.18 0.20 -0.17 0.00 0.00 175.17 175.26 2pqe s ASN 144 N 1.28 3.22 -0.64 -0.34 -0.87 -1.26 -5.06 114.94 111.27 2pqe s ASN 144 Ca 0.01 -1.80 0.05 0.00 -1.57 0.00 0.00 52.86 49.54 2pqe s ASN 144 Cb -0.16 -0.39 0.16 0.00 -0.02 0.00 0.00 41.25 40.84 2pqe s ASN 144 CO -0.07 -0.37 0.42 0.00 -2.57 0.00 0.00 177.10 174.51 2pqe s ALA 145 N 1.51 3.64 0.45 0.60 0.00 -1.26 -5.08 121.76 121.62 2pqe s ALA 145 Ca 0.14 -3.65 0.07 0.00 0.00 0.00 0.00 51.96 48.52 2pqe s ALA 145 Cb -0.20 -2.16 -0.01 0.00 0.00 0.00 0.00 23.12 20.75 2pqe s ALA 145 CO -0.15 -2.07 0.34 0.16 0.00 0.00 0.00 175.76 174.03 2pqe s ASP 146 N -1.08 4.76 -0.01 0.00 -4.77 -1.26 -5.07 116.67 109.23 2pqe s ASP 146 Ca 0.22 -0.99 -0.30 0.00 -3.30 0.00 0.00 52.55 48.19 2pqe s ASP 146 Cb -0.11 -0.25 -0.06 0.00 -1.09 0.00 0.00 42.92 41.42 2pqe s ASP 146 CO -0.11 -0.76 1.48 -0.44 0.70 0.00 0.00 175.17 176.04 2pqe s SER 147 N -4.12 6.78 0.00 2.11 0.01 -1.26 -4.99 113.70 112.23 2pqe s SER 147 Ca 0.42 2.17 0.00 0.00 1.31 0.00 0.00 55.95 59.85 2pqe s SER 147 Cb -0.01 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.67 2pqe s SER 147 CO 0.25 -0.79 0.00 0.61 0.41 0.00 0.00 173.24 173.71 2pqe n GLY 148 N 3.80 7.35 0.00 3.44 0.00 -1.26 -5.33 105.19 113.19 2pqe n GLY 148 Ca 0.14 -1.99 0.00 0.00 0.00 0.00 0.00 46.02 44.17 2pqe n GLY 148 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26