#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rqe n GLU 2 N 0.00 0.53 -1.47 2.98 1.02 -1.26 -4.99 120.64 117.44 2rqe n GLU 2 Ca 0.00 -3.03 0.00 0.00 -0.02 0.00 0.00 57.16 54.11 2rqe n GLU 2 Cb 0.00 -1.40 0.00 0.00 -0.02 0.00 0.00 31.44 30.02 2rqe n GLU 2 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2rqe n ALA 3 N 1.98 -1.86 -1.16 0.62 0.00 -1.26 -3.93 120.51 114.89 2rqe n ALA 3 Ca 0.23 0.45 -0.29 0.00 0.00 0.00 0.00 53.44 53.83 2rqe n ALA 3 Cb 0.52 -1.40 0.18 0.00 0.00 0.00 0.00 19.45 18.75 2rqe n ALA 3 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2rqe s PRO 4 N -5.08 0.36 0.21 0.00 0.04 -1.26 -4.87 135.00 124.39 2rqe s PRO 4 Ca 0.00 0.50 -0.30 0.00 0.04 0.00 0.00 61.00 61.24 2rqe s PRO 4 Cb 0.00 -1.73 -0.09 0.00 0.04 0.00 0.00 34.50 32.72 2rqe s PRO 4 CO 0.00 -2.78 1.30 -1.25 0.04 0.00 0.00 177.00 174.31 2rqe s PRO 5 N -4.96 4.40 0.13 0.56 0.04 -1.26 -4.96 135.00 128.94 2rqe s PRO 5 Ca 0.65 2.04 -0.26 0.00 0.04 0.00 0.00 61.00 63.48 2rqe s PRO 5 Cb -0.19 -3.19 -0.07 0.00 0.04 0.00 0.00 34.50 31.09 2rqe s PRO 5 CO 0.58 -0.23 0.82 0.00 0.04 0.00 0.00 177.00 178.20 2rqe s ALA 6 N 0.02 3.38 -1.15 8.56 0.00 -1.26 -4.53 121.76 126.78 2rqe s ALA 6 Ca 0.56 0.39 -0.09 0.00 0.00 0.00 0.00 51.96 52.82 2rqe s ALA 6 Cb -0.36 -3.04 0.25 0.00 0.00 0.00 0.00 23.12 19.97 2rqe s ALA 6 CO 0.39 0.17 1.33 2.41 0.00 0.00 0.00 175.76 180.05 2rqe n THR 7 N 2.15 4.61 -2.44 0.00 -1.04 0.13 -4.98 114.28 112.70 2rqe n THR 7 Ca -0.03 -5.24 -0.43 0.00 -2.04 0.00 0.00 64.05 56.31 2rqe n THR 7 Cb 0.49 -2.45 -0.02 0.00 -1.82 0.00 0.00 70.33 66.53 2rqe n THR 7 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 2rqe s LEU 8 N -0.75 3.61 0.00 -4.42 1.02 -1.26 -2.77 118.68 114.11 2rqe s LEU 8 Ca 0.35 0.70 -0.04 0.00 0.02 0.00 0.00 54.13 55.16 2rqe s LEU 8 Cb -0.04 -3.54 0.07 0.00 0.02 0.00 0.00 46.19 42.70 2rqe s LEU 8 CO -0.02 -1.37 0.41 -0.62 0.02 0.00 0.00 176.35 174.78 2rqe n GLU 9 N 7.99 -0.24 -3.62 1.70 4.71 0.37 -4.73 120.64 126.82 2rqe n GLU 9 Ca 0.15 -0.73 -0.28 0.00 -0.01 0.00 0.00 57.16 56.29 2rqe n GLU 9 Cb 0.48 -0.40 -0.11 0.00 -1.01 0.00 0.00 31.44 30.41 2rqe n GLU 9 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2rqe s ALA 10 N -3.73 2.46 1.06 0.62 0.00 -1.25 -4.47 121.76 116.46 2rqe s ALA 10 Ca 0.24 -3.06 -0.15 0.00 0.00 0.00 0.00 51.96 49.00 2rqe s ALA 10 Cb -0.01 -1.85 0.22 0.00 0.00 0.00 0.00 23.12 21.49 2rqe s ALA 10 CO 0.17 -2.03 1.10 0.42 0.00 0.00 0.00 175.76 175.42 2rqe s ILE 11 N -0.60 1.88 1.16 0.00 -1.09 -1.26 -2.64 121.20 118.65 2rqe s ILE 11 Ca 0.29 0.00 -0.18 0.00 -2.23 0.00 0.00 60.65 58.54 2rqe s ILE 11 Cb -0.00 -2.51 0.18 0.00 -1.58 0.00 0.00 42.46 38.54 2rqe s ILE 11 CO -0.18 0.00 0.31 1.41 -1.23 0.00 0.00 174.94 175.24 2rqe n HIS 12 N -4.35 -1.76 0.49 3.97 8.25 -1.25 -4.66 115.22 115.90 2rqe n HIS 12 Ca 0.08 -0.03 0.00 0.00 -0.26 0.00 0.00 57.72 57.50 2rqe n HIS 12 Cb 0.58 -1.54 0.00 0.00 1.12 0.00 0.00 29.99 30.16 2rqe n HIS 12 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 2rqe n PRO 13 N -2.93 0.49 -0.31 -0.41 -0.04 -1.26 -2.31 135.00 128.23 2rqe n PRO 13 Ca 0.03 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.55 2rqe n PRO 13 Cb 0.57 -1.24 0.11 0.00 -0.04 0.00 0.00 33.50 32.89 2rqe n PRO 13 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 2rqe n LYS 14 N 0.26 0.95 -3.08 0.54 2.85 -1.24 -4.17 118.16 114.27 2rqe n LYS 14 Ca 0.00 -2.26 0.00 0.00 -1.05 0.00 0.00 58.31 55.00 2rqe n LYS 14 Cb 0.12 -1.20 0.00 0.00 -0.65 0.00 0.00 35.03 33.30 2rqe n LYS 14 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2rqe n GLY 15 N -0.96 -1.82 3.38 2.58 0.00 0.24 -4.19 105.19 104.43 2rqe n GLY 15 Ca 0.12 -1.46 -0.10 0.00 0.00 0.00 0.00 46.02 44.59 2rqe n GLY 15 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2rqe s LEU 16 N 0.00 0.72 -0.00 0.99 2.96 -1.23 -4.09 118.68 118.01 2rqe s LEU 16 Ca 0.00 -0.73 0.04 0.00 -0.22 0.00 0.00 54.13 53.22 2rqe s LEU 16 Cb 0.00 1.48 -0.01 0.00 0.50 0.00 0.00 46.19 48.16 2rqe s LEU 16 CO 0.00 -0.93 -0.13 -0.60 -1.32 0.00 0.00 176.35 173.37 2rqe s ARG 17 N -3.93 1.02 -0.21 1.98 3.52 -1.26 -0.17 118.95 119.89 2rqe s ARG 17 Ca 0.14 -0.49 -0.04 0.00 -0.13 0.00 0.00 55.73 55.21 2rqe s ARG 17 Cb 0.02 -0.99 0.11 0.00 -1.56 0.00 0.00 34.95 32.53 2rqe s ARG 17 CO -0.02 0.27 0.31 0.08 -0.81 0.00 0.00 175.30 175.13 2rqe s VAL 18 N -0.36 -0.48 0.20 7.11 1.01 -0.55 -0.48 120.40 126.85 2rqe s VAL 18 Ca 0.05 -0.04 0.10 0.00 0.00 0.00 0.00 61.98 62.09 2rqe s VAL 18 Cb -0.05 -0.72 -0.04 0.00 0.00 0.00 0.00 36.38 35.57 2rqe s VAL 18 CO -0.00 -0.12 -0.20 -0.55 0.00 0.00 0.00 175.10 174.23 2rqe s SER 19 N 2.45 3.09 0.03 3.32 0.15 -1.11 -1.96 113.70 119.67 2rqe s SER 19 Ca 0.09 -0.91 -0.00 0.00 0.70 0.00 0.00 55.95 55.83 2rqe s SER 19 Cb -0.15 -0.21 -0.02 0.00 -1.71 0.00 0.00 66.02 63.92 2rqe s SER 19 CO -0.13 0.02 -0.03 0.68 1.20 0.00 0.00 173.24 174.98 2rqe s VAL 20 N -2.09 0.13 -0.06 4.45 -7.23 -0.18 0.19 120.40 115.61 2rqe s VAL 20 Ca 0.21 -1.10 -0.30 0.00 -1.81 0.00 0.00 61.98 58.98 2rqe s VAL 20 Cb -0.06 -0.53 -0.05 0.00 0.56 0.00 0.00 36.38 36.30 2rqe s VAL 20 CO 0.09 -0.61 1.50 -2.16 -0.31 0.00 0.00 175.10 173.61 2rqe s PRO 21 N -1.99 4.22 -0.54 4.82 0.04 -1.26 -1.76 135.00 138.53 2rqe s PRO 21 Ca -0.11 2.01 -0.28 0.00 0.04 0.00 0.00 61.00 62.66 2rqe s PRO 21 Cb -0.06 -3.82 0.01 0.00 0.04 0.00 0.00 34.50 30.67 2rqe s PRO 21 CO -0.03 -0.74 1.40 0.34 0.04 0.00 0.00 177.00 178.01 2rqe s ASP 22 N 2.63 6.17 -0.54 6.66 2.15 -1.25 -4.83 116.67 127.66 2rqe s ASP 22 Ca 0.67 0.36 0.01 0.00 0.43 0.00 0.00 52.55 54.02 2rqe s ASP 22 Cb -0.30 -2.55 0.55 0.00 -0.30 0.00 0.00 42.92 40.32 2rqe s ASP 22 CO 0.25 -1.66 1.96 1.21 -0.17 0.00 0.00 175.17 176.77 2rqe n GLU 23 N 8.56 2.42 0.00 4.34 0.00 -1.26 -4.76 120.64 129.94 2rqe n GLU 23 Ca 0.13 -3.06 0.00 0.00 0.00 0.00 0.00 57.16 54.23 2rqe n GLU 23 Cb 0.49 -2.20 0.00 0.00 0.00 0.00 0.00 31.44 29.73 2rqe n GLU 23 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2rqe n GLY 24 N -0.99 0.62 3.40 8.31 0.00 -1.26 -5.03 105.19 110.24 2rqe n GLY 24 Ca 0.60 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.30 2rqe n GLY 24 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2rqe n PHE 25 N -1.83 -1.17 0.00 1.61 3.72 -1.26 -4.33 117.46 114.19 2rqe n PHE 25 Ca 0.00 0.17 0.00 0.00 -0.05 0.00 0.00 57.45 57.57 2rqe n PHE 25 Cb 0.00 -1.72 0.00 0.00 -0.94 0.00 0.00 39.48 36.82 2rqe n PHE 25 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 2rqe n SER 26 N -2.21 0.58 -3.65 4.37 2.88 0.35 -4.89 113.62 111.06 2rqe n SER 26 Ca 0.05 -0.26 -0.13 0.00 -1.33 0.00 0.00 58.87 57.19 2rqe n SER 26 Cb 0.56 0.65 -0.07 0.00 -0.75 0.00 0.00 64.21 64.60 2rqe n SER 26 CO 0.00 0.00 0.00 -0.22 -1.23 0.00 0.00 175.04 173.59 2rqe s LEU 27 N -1.41 -0.61 0.04 2.46 1.98 -1.22 -4.58 118.68 115.35 2rqe s LEU 27 Ca 0.00 1.37 0.04 0.00 -2.89 0.00 0.00 54.13 52.65 2rqe s LEU 27 Cb 0.00 2.30 -0.02 0.00 0.66 0.00 0.00 46.19 49.13 2rqe s LEU 27 CO 0.00 -0.23 -0.13 0.12 -1.89 0.00 0.00 176.35 174.22 2rqe s PHE 28 N 0.54 1.14 0.16 5.38 5.36 -0.04 -1.87 117.98 128.65 2rqe s PHE 28 Ca -0.01 -0.36 0.06 0.00 -0.96 0.00 0.00 56.93 55.66 2rqe s PHE 28 Cb -0.05 -0.68 -0.04 0.00 -0.34 0.00 0.00 43.02 41.91 2rqe s PHE 28 CO -0.02 0.02 -0.12 0.00 -1.46 0.00 0.00 175.22 173.64 2rqe s ALA 29 N -0.88 1.62 -0.06 11.12 0.00 -0.68 0.12 121.76 133.00 2rqe s ALA 29 Ca 0.00 -1.48 0.01 0.00 0.00 0.00 0.00 51.96 50.50 2rqe s ALA 29 Cb -0.08 -0.03 0.02 0.00 0.00 0.00 0.00 23.12 23.04 2rqe s ALA 29 CO 0.01 0.01 -0.06 -0.06 0.00 0.00 0.00 175.76 175.66 2rqe s PHE 30 N -2.87 0.96 -0.44 0.00 0.40 0.33 -3.70 117.98 112.67 2rqe s PHE 30 Ca 0.16 -0.32 0.07 0.00 -0.60 0.00 0.00 56.93 56.23 2rqe s PHE 30 Cb -0.01 -0.82 0.18 0.00 0.51 0.00 0.00 43.02 42.88 2rqe s PHE 30 CO 0.03 -0.25 0.61 -1.01 0.70 0.00 0.00 175.22 175.30 2rqe s HIS 31 N 1.04 -1.37 0.29 0.36 3.76 -1.26 -2.14 115.29 115.97 2rqe s HIS 31 Ca -0.09 -0.25 -0.02 0.00 -0.15 0.00 0.00 55.06 54.55 2rqe s HIS 31 Cb -0.14 0.16 -0.02 0.00 1.11 0.00 0.00 32.58 33.69 2rqe s HIS 31 CO -0.00 -1.16 0.34 0.20 -0.85 0.00 0.00 174.74 173.27 2rqe s GLY 32 N 1.43 1.51 0.00 -2.22 0.00 -1.26 -3.73 107.32 103.04 2rqe s GLY 32 Ca 0.21 -1.58 0.00 0.00 0.00 0.00 0.00 44.72 43.35 2rqe s GLY 32 CO -0.06 -1.15 0.00 0.28 0.00 0.00 0.00 173.10 172.17 2rqe n LYS 33 N -0.47 1.56 -4.18 2.90 5.02 -1.26 -1.85 118.16 119.88 2rqe n LYS 33 Ca 0.02 0.00 -0.25 0.00 -2.02 0.00 0.00 58.31 56.06 2rqe n LYS 33 Cb 0.63 0.00 -0.17 0.00 -0.02 0.00 0.00 35.03 35.47 2rqe n LYS 33 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 2rqe s LEU 34 N 0.00 1.35 -1.86 -0.35 1.98 -1.26 -4.32 118.68 114.21 2rqe s LEU 34 Ca 0.00 -0.28 0.00 0.00 -2.89 0.00 0.00 54.13 50.96 2rqe s LEU 34 Cb 0.00 -0.78 0.00 0.00 0.66 0.00 0.00 46.19 46.07 2rqe s LEU 34 CO 0.00 -0.06 0.00 0.59 -1.89 0.00 0.00 176.35 174.99 2rqe n ASN 35 N 4.45 -5.34 -3.65 3.68 3.02 -0.85 -4.95 115.26 111.61 2rqe n ASN 35 Ca -0.17 0.29 -0.15 0.00 -0.03 0.00 0.00 54.58 54.52 2rqe n ASN 35 Cb 0.51 -4.46 -0.08 0.00 -0.61 0.00 0.00 39.78 35.14 2rqe n ASN 35 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 2rqe s GLU 36 N -4.07 0.77 0.40 3.52 2.12 -1.26 -5.06 118.70 115.11 2rqe s GLU 36 Ca 0.00 0.50 0.08 0.00 0.36 0.00 0.00 54.97 55.91 2rqe s GLU 36 Cb 0.00 0.37 -0.05 0.00 0.26 0.00 0.00 34.13 34.71 2rqe s GLU 36 CO 0.00 -0.16 0.19 -1.83 -0.54 0.00 0.00 175.26 172.92 2rqe s GLU 37 N -0.34 2.28 0.24 4.30 -1.05 -1.26 -4.04 118.70 118.83 2rqe s GLU 37 Ca -0.05 -1.76 0.01 0.00 -0.15 0.00 0.00 54.97 53.02 2rqe s GLU 37 Cb -0.03 -2.06 0.01 0.00 -0.44 0.00 0.00 34.13 31.61 2rqe s GLU 37 CO 0.04 -0.08 0.06 0.00 0.95 0.00 0.00 175.26 176.22 2rqe n MET 38 N -1.25 1.33 -3.87 -4.83 0.00 -1.26 -5.08 117.12 102.16 2rqe n MET 38 Ca -0.01 -1.65 -0.11 0.00 0.00 0.00 0.00 57.70 55.93 2rqe n MET 38 Cb 0.64 0.36 -0.11 0.00 0.00 0.00 0.00 33.22 34.11 2rqe n MET 38 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 175.97 173.97 2rqe s GLU 39 N -2.90 0.38 -1.33 3.17 2.12 -1.26 -4.87 118.70 114.00 2rqe s GLU 39 Ca 0.05 -0.24 -0.01 0.00 0.36 0.00 0.00 54.97 55.12 2rqe s GLU 39 Cb -0.00 0.16 0.00 0.00 0.26 0.00 0.00 34.13 34.55 2rqe s GLU 39 CO 0.03 -0.08 0.16 0.41 -0.54 0.00 0.00 175.26 175.23 2rqe n GLY 40 N 1.92 -0.29 3.21 -1.50 0.00 -1.26 -4.00 105.19 103.28 2rqe n GLY 40 Ca -0.20 -0.16 -0.11 0.00 0.00 0.00 0.00 46.02 45.56 2rqe n GLY 40 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2rqe n LEU 41 N -2.62 -3.93 -4.44 0.99 4.77 -1.26 -5.01 117.00 105.50 2rqe n LEU 41 Ca -0.16 0.37 -0.22 0.00 -0.03 0.00 0.00 56.01 55.96 2rqe n LEU 41 Cb 0.63 -1.84 -0.09 0.00 -2.33 0.00 0.00 43.42 39.79 2rqe n LEU 41 CO 0.27 -1.27 -0.21 -1.83 -1.33 0.00 0.00 177.39 173.02 2rqe s GLU 42 N -1.51 1.76 -0.60 3.23 -1.05 -1.26 -5.10 118.70 114.17 2rqe s GLU 42 Ca 0.11 -2.03 -0.25 0.00 -0.15 0.00 0.00 54.97 52.65 2rqe s GLU 42 Cb -0.01 -0.50 0.04 0.00 -0.44 0.00 0.00 34.13 33.22 2rqe s GLU 42 CO 0.34 -0.41 1.04 0.00 0.95 0.00 0.00 175.26 177.19 2rqe s ALA 43 N -3.36 3.07 0.00 -0.84 0.00 -1.26 -4.91 121.76 114.46 2rqe s ALA 43 Ca 0.30 -1.26 0.00 0.00 0.00 0.00 0.00 51.96 51.01 2rqe s ALA 43 Cb 0.05 -3.88 0.00 0.00 0.00 0.00 0.00 23.12 19.28 2rqe s ALA 43 CO 0.16 -2.61 0.00 0.41 0.00 0.00 0.00 175.76 173.71 2rqe n GLY 44 N 5.17 -3.24 0.05 0.00 0.00 -1.26 -4.94 105.19 100.97 2rqe n GLY 44 Ca 0.02 -0.33 -0.04 0.00 0.00 0.00 0.00 46.02 45.68 2rqe n GLY 44 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2rqe n HIS 45 N 0.00 0.56 -1.23 1.61 8.25 -1.08 -4.92 115.22 118.41 2rqe n HIS 45 Ca 0.00 0.24 -0.34 0.00 -0.26 0.00 0.00 57.72 57.37 2rqe n HIS 45 Cb 0.00 -0.58 0.11 0.00 1.12 0.00 0.00 29.99 30.65 2rqe n HIS 45 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2rqe s TRP 46 N -1.92 1.90 -0.29 4.41 0.51 -0.77 -4.93 118.94 117.85 2rqe s TRP 46 Ca -0.12 1.64 -0.01 0.00 -2.12 0.00 0.00 56.10 55.50 2rqe s TRP 46 Cb 0.02 -3.48 0.18 0.00 -0.81 0.00 0.00 33.47 29.38 2rqe s TRP 46 CO 0.17 -2.77 0.56 -1.54 -0.51 0.00 0.00 176.95 172.86 2rqe s SER 47 N -2.12 -1.11 0.15 2.95 1.04 -1.24 -4.10 113.70 109.28 2rqe s SER 47 Ca 0.74 0.73 -0.20 0.00 0.48 0.00 0.00 55.95 57.70 2rqe s SER 47 Cb -0.29 1.98 0.05 0.00 0.10 0.00 0.00 66.02 67.86 2rqe s SER 47 CO 0.49 -0.27 0.52 -0.60 0.98 0.00 0.00 173.24 174.36 2rqe s ARG 48 N 2.80 1.21 -0.22 4.02 3.00 -0.91 -4.99 118.95 123.85 2rqe s ARG 48 Ca 0.19 -0.58 -0.04 0.00 -1.00 0.00 0.00 55.73 54.30 2rqe s ARG 48 Cb -0.15 0.54 0.10 0.00 0.00 0.00 0.00 34.95 35.44 2rqe s ARG 48 CO -0.20 -0.51 0.20 -0.51 0.00 0.00 0.00 175.30 174.28 2rqe s ASP 49 N -2.78 1.83 -0.53 -2.12 1.01 -1.26 -0.51 116.67 112.31 2rqe s ASP 49 Ca 0.02 -0.50 -0.24 0.00 0.71 0.00 0.00 52.55 52.55 2rqe s ASP 49 Cb 0.00 0.22 0.04 0.00 1.01 0.00 0.00 42.92 44.19 2rqe s ASP 49 CO -0.12 -0.35 0.91 -0.63 0.21 0.00 0.00 175.17 175.19 2rqe s ILE 50 N 2.28 4.45 -0.36 0.77 -1.09 0.32 -4.90 121.20 122.67 2rqe s ILE 50 Ca 0.07 0.31 0.03 0.00 -2.23 0.00 0.00 60.65 58.83 2rqe s ILE 50 Cb -0.16 -4.50 0.54 0.00 -1.58 0.00 0.00 42.46 36.77 2rqe s ILE 50 CO -0.18 -1.03 1.73 0.35 -1.23 0.00 0.00 174.94 174.59 2rqe n THR 51 N 6.19 2.77 -3.18 2.92 -2.24 -1.26 -0.86 114.28 118.61 2rqe n THR 51 Ca 0.02 -1.53 0.05 0.00 -2.27 0.00 0.00 64.05 60.31 2rqe n THR 51 Cb 0.48 -0.57 -0.03 0.00 -2.10 0.00 0.00 70.33 68.10 2rqe n THR 51 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2rqe s LYS 52 N -2.64 0.09 1.03 -0.78 1.02 -1.26 -4.93 119.74 112.28 2rqe s LYS 52 Ca 0.46 0.18 -0.17 0.00 0.02 0.00 0.00 55.97 56.46 2rqe s LYS 52 Cb 0.38 0.11 0.26 0.00 -0.52 0.00 0.00 37.83 38.06 2rqe s LYS 52 CO 0.09 -0.07 0.92 -0.35 -0.92 0.00 0.00 175.35 175.01 2rqe n PRO 53 N 5.18 -2.81 -3.65 -1.68 -0.04 -1.26 -4.97 135.00 125.77 2rqe n PRO 53 Ca -0.08 -1.47 -0.03 0.00 -0.04 0.00 0.00 63.50 61.88 2rqe n PRO 53 Cb 0.55 -1.38 -0.07 0.00 -0.04 0.00 0.00 33.50 32.56 2rqe n PRO 53 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 2rqe s LYS 54 N -5.08 0.22 0.00 0.54 0.00 -0.61 -4.95 119.74 109.86 2rqe s LYS 54 Ca 0.60 0.31 0.00 0.00 0.00 0.00 0.00 55.97 56.87 2rqe s LYS 54 Cb -0.06 0.09 0.00 0.00 0.00 0.00 0.00 37.83 37.86 2rqe s LYS 54 CO 0.46 -0.03 0.00 -1.71 0.00 0.00 0.00 175.35 174.06 2rqe n ASN 55 N 2.41 -2.07 0.00 0.03 5.15 -1.26 -3.26 115.26 116.26 2rqe n ASN 55 Ca -0.14 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.84 2rqe n ASN 55 Cb 0.57 -0.35 0.00 0.00 -0.53 0.00 0.00 39.78 39.47 2rqe n ASN 55 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2rqe n GLY 56 N -2.69 0.16 3.63 8.20 0.00 -1.26 -5.04 105.19 108.20 2rqe n GLY 56 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 2rqe n GLY 56 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2rqe s ARG 57 N -1.00 1.82 -0.52 1.61 3.03 -1.20 -3.95 118.95 118.74 2rqe s ARG 57 Ca 0.00 -1.41 -0.22 0.00 2.03 0.00 0.00 55.73 56.14 2rqe s ARG 57 Cb 0.00 0.51 0.05 0.00 -1.03 0.00 0.00 34.95 34.48 2rqe s ARG 57 CO 0.00 -0.79 0.77 -1.58 -1.13 0.00 0.00 175.30 172.57 2rqe s TRP 58 N -3.38 2.94 0.03 5.89 0.52 -0.72 -1.58 118.94 122.64 2rqe s TRP 58 Ca 0.22 -0.24 0.02 0.00 0.02 0.00 0.00 56.10 56.13 2rqe s TRP 58 Cb -0.02 -3.76 -0.04 0.00 -1.15 0.00 0.00 33.47 28.51 2rqe s TRP 58 CO 0.12 -1.15 0.02 0.42 0.02 0.00 0.00 176.95 176.38 2rqe s ILE 59 N 3.24 4.22 0.00 2.03 1.01 -1.26 -1.01 121.20 129.43 2rqe s ILE 59 Ca 0.23 -0.70 -0.05 0.00 0.00 0.00 0.00 60.65 60.13 2rqe s ILE 59 Cb -0.16 -2.93 -0.00 0.00 0.01 0.00 0.00 42.46 39.38 2rqe s ILE 59 CO 0.16 0.28 0.09 0.12 0.00 0.00 0.00 174.94 175.60 2rqe s PHE 60 N -1.18 0.08 -0.02 3.97 5.36 -0.83 -4.97 117.98 120.39 2rqe s PHE 60 Ca 0.22 -0.19 -0.00 0.00 -0.96 0.00 0.00 56.93 56.00 2rqe s PHE 60 Cb -0.12 -0.07 0.02 0.00 -0.34 0.00 0.00 43.02 42.51 2rqe s PHE 60 CO 0.14 -0.24 0.04 1.03 -1.46 0.00 0.00 175.22 174.72 2rqe s ARG 61 N -1.28 -0.01 0.49 10.12 3.00 -1.26 -1.49 118.95 128.53 2rqe s ARG 61 Ca -0.14 0.15 0.06 0.00 0.00 0.00 0.00 55.73 55.80 2rqe s ARG 61 Cb -0.08 -0.16 0.06 0.00 0.00 0.00 0.00 34.95 34.77 2rqe s ARG 61 CO 0.01 -0.12 0.47 -0.25 0.00 0.00 0.00 175.30 175.41 2rqe n ASP 62 N 3.85 2.32 -0.54 0.23 8.00 0.75 -4.95 116.55 126.21 2rqe n ASP 62 Ca -0.23 -2.56 -0.00 0.00 0.71 0.00 0.00 54.79 52.71 2rqe n ASP 62 Cb 0.53 -0.14 -0.00 0.00 -0.02 0.00 0.00 41.12 41.49 2rqe n ASP 62 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2rqe n ARG 63 N -1.78 0.00 -0.18 -1.24 1.74 -1.26 -3.58 116.66 110.37 2rqe n ARG 63 Ca 0.03 -0.67 0.01 0.00 -0.77 0.00 0.00 57.85 56.45 2rqe n ARG 63 Cb 0.54 -0.29 0.02 0.00 -1.02 0.00 0.00 32.46 31.71 2rqe n ARG 63 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 2rqe n ASN 64 N 0.02 0.55 -4.32 0.55 6.94 -1.26 -4.53 115.26 113.20 2rqe n ASN 64 Ca -0.00 -1.72 -0.41 0.00 -0.02 0.00 0.00 54.58 52.43 2rqe n ASN 64 Cb 0.64 -0.12 -0.10 0.00 -2.36 0.00 0.00 39.78 37.84 2rqe n ASN 64 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2rqe s ALA 65 N -0.47 3.29 -1.05 -2.53 0.00 -1.26 -4.88 121.76 114.86 2rqe s ALA 65 Ca 0.04 -1.95 -0.06 0.00 0.00 0.00 0.00 51.96 49.98 2rqe s ALA 65 Cb 0.03 -2.65 0.26 0.00 0.00 0.00 0.00 23.12 20.77 2rqe s ALA 65 CO 0.00 -1.54 1.02 0.00 0.00 0.00 0.00 175.76 175.25 2rqe n ALA 66 N 4.97 4.13 -2.50 0.00 0.00 -1.26 -0.59 120.51 125.25 2rqe n ALA 66 Ca -0.11 -4.65 -0.24 0.00 0.00 0.00 0.00 53.44 48.44 2rqe n ALA 66 Cb 0.44 -2.21 -0.10 0.00 0.00 0.00 0.00 19.45 17.58 2rqe n ALA 66 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 2rqe s LEU 67 N -1.38 2.26 0.04 0.00 -0.00 -1.26 -4.94 118.68 113.41 2rqe s LEU 67 Ca 0.30 -1.43 -0.25 0.00 -0.00 0.00 0.00 54.13 52.75 2rqe s LEU 67 Cb -0.08 -0.44 0.06 0.00 -0.00 0.00 0.00 46.19 45.72 2rqe s LEU 67 CO -0.09 -0.64 0.58 -1.59 -0.00 0.00 0.00 176.35 174.61 2rqe s LYS 68 N -3.84 1.09 -0.16 1.48 0.00 -1.26 -4.15 119.74 112.90 2rqe s LYS 68 Ca 0.33 -0.14 -0.22 0.00 0.00 0.00 0.00 55.97 55.94 2rqe s LYS 68 Cb 0.08 0.50 -0.10 0.00 0.00 0.00 0.00 37.83 38.31 2rqe s LYS 68 CO 0.15 -0.40 0.69 -0.89 0.00 0.00 0.00 175.35 174.90 2rqe n ILE 69 N 0.40 0.00 0.00 3.79 2.08 -1.26 -1.91 119.36 122.46 2rqe n ILE 69 Ca -0.18 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.13 2rqe n ILE 69 Cb 0.60 -0.16 0.00 0.00 -0.75 0.00 0.00 39.64 39.33 2rqe n ILE 69 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2rqe n GLY 70 N 1.55 1.26 2.48 7.39 0.00 -1.08 -5.06 105.19 111.73 2rqe n GLY 70 Ca 0.13 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.94 2rqe n GLY 70 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2rqe n ASP 71 N 0.00 -1.61 -4.11 1.61 9.92 -0.80 -4.75 116.55 116.81 2rqe n ASP 71 Ca 0.00 -1.00 -0.10 0.00 -0.53 0.00 0.00 54.79 53.16 2rqe n ASP 71 Cb 0.00 -0.71 -0.09 0.00 -0.64 0.00 0.00 41.12 39.68 2rqe n ASP 71 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 2rqe s LYS 72 N -4.77 1.07 -0.01 -1.24 1.02 -1.26 -1.04 119.74 113.50 2rqe s LYS 72 Ca 0.50 -1.42 -0.04 0.00 0.02 0.00 0.00 55.97 55.03 2rqe s LYS 72 Cb -0.05 0.29 0.00 0.00 -0.52 0.00 0.00 37.83 37.55 2rqe s LYS 72 CO 0.38 -0.34 0.09 0.42 -0.92 0.00 0.00 175.35 174.98 2rqe s ILE 73 N -4.05 0.05 -0.27 2.17 1.01 0.47 -2.02 121.20 118.56 2rqe s ILE 73 Ca 0.26 -0.41 -0.01 0.00 0.00 0.00 0.00 60.65 60.49 2rqe s ILE 73 Cb 0.06 -0.27 0.13 0.00 0.01 0.00 0.00 42.46 42.39 2rqe s ILE 73 CO 0.04 -0.22 0.30 -0.31 0.00 0.00 0.00 174.94 174.74 2rqe s TYR 74 N -0.72 -0.50 0.00 3.97 2.02 -1.26 0.00 117.35 120.87 2rqe s TYR 74 Ca -0.08 0.06 0.00 0.00 -0.37 0.00 0.00 57.07 56.68 2rqe s TYR 74 Cb -0.05 -0.37 0.00 0.00 -0.40 0.00 0.00 41.96 41.14 2rqe s TYR 74 CO 0.00 -0.83 0.00 1.97 -1.57 0.00 0.00 175.55 175.12 2rqe n PHE 75 N 5.32 -0.19 -3.74 2.71 -1.74 -1.26 -4.23 117.46 114.34 2rqe n PHE 75 Ca -0.03 0.00 -0.14 0.00 -0.56 0.00 0.00 57.45 56.72 2rqe n PHE 75 Cb 0.48 0.00 -0.08 0.00 1.52 0.00 0.00 39.48 41.39 2rqe n PHE 75 CO 0.00 0.00 0.00 1.67 -0.56 0.00 0.00 176.76 177.87 2rqe s TRP 76 N -4.00 -0.23 0.07 2.97 -2.14 -1.24 -2.99 118.94 111.37 2rqe s TRP 76 Ca 0.00 0.37 0.10 0.00 2.66 0.00 0.00 56.10 59.22 2rqe s TRP 76 Cb 0.00 0.13 -0.03 0.00 -3.10 0.00 0.00 33.47 30.47 2rqe s TRP 76 CO 0.00 -0.41 -0.26 0.95 -2.66 0.00 0.00 176.95 174.57 2rqe s THR 77 N -1.28 2.21 0.08 0.66 -4.23 -1.26 -3.99 115.64 107.84 2rqe s THR 77 Ca -0.13 -1.48 0.02 0.00 -1.18 0.00 0.00 61.69 58.93 2rqe s THR 77 Cb -0.05 -1.90 -0.04 0.00 1.34 0.00 0.00 72.50 71.86 2rqe s THR 77 CO 0.05 0.29 0.12 0.12 -0.54 0.00 0.00 174.62 174.67 2rqe s PHE 78 N -0.88 3.28 0.17 3.99 5.36 -1.24 -0.96 117.98 127.70 2rqe s PHE 78 Ca 0.13 0.12 -0.04 0.00 -0.96 0.00 0.00 56.93 56.17 2rqe s PHE 78 Cb -0.10 -1.65 -0.03 0.00 -0.34 0.00 0.00 43.02 40.90 2rqe s PHE 78 CO 0.03 0.54 0.18 0.14 -1.46 0.00 0.00 175.22 174.65 2rqe s VAL 79 N -1.46 0.06 -0.32 3.12 -7.23 0.56 -1.69 120.40 113.44 2rqe s VAL 79 Ca 0.31 -1.74 0.00 0.00 -1.81 0.00 0.00 61.98 58.75 2rqe s VAL 79 Cb -0.12 -2.12 0.14 0.00 0.56 0.00 0.00 36.38 34.84 2rqe s VAL 79 CO 0.24 -0.26 0.28 -0.63 -0.31 0.00 0.00 175.10 174.43 2rqe s ILE 80 N -4.05 -0.28 -0.07 -0.62 1.01 -0.78 -1.69 121.20 114.72 2rqe s ILE 80 Ca 0.26 -0.80 0.03 0.00 0.00 0.00 0.00 60.65 60.14 2rqe s ILE 80 Cb 0.05 -0.92 -0.02 0.00 0.01 0.00 0.00 42.46 41.59 2rqe s ILE 80 CO 0.05 -0.60 -0.16 -0.75 0.00 0.00 0.00 174.94 173.48 2rqe s LYS 81 N 1.93 2.67 -1.78 2.79 2.20 -1.26 0.13 119.74 126.42 2rqe s LYS 81 Ca 0.12 -0.73 -0.19 0.00 -0.36 0.00 0.00 55.97 54.81 2rqe s LYS 81 Cb -0.16 -2.39 0.18 0.00 -1.51 0.00 0.00 37.83 33.96 2rqe s LYS 81 CO -0.22 0.50 0.62 -0.25 -0.36 0.00 0.00 175.35 175.65 2rqe n ASP 82 N 2.65 -2.15 -3.59 1.43 9.92 -1.26 0.79 116.55 124.34 2rqe n ASP 82 Ca -0.17 -1.15 -0.27 0.00 -0.53 0.00 0.00 54.79 52.67 2rqe n ASP 82 Cb 0.52 -2.10 0.00 0.00 -0.64 0.00 0.00 41.12 38.90 2rqe n ASP 82 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2rqe n GLY 83 N -1.34 -0.49 0.11 0.44 0.00 -1.26 -4.87 105.19 97.78 2rqe n GLY 83 Ca 0.05 0.13 -0.17 0.00 0.00 0.00 0.00 46.02 46.03 2rqe n GLY 83 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2rqe n LEU 84 N -4.10 1.93 -0.45 0.99 4.77 0.24 -5.12 117.00 115.26 2rqe n LEU 84 Ca 0.01 0.37 0.00 0.00 -0.03 0.00 0.00 56.01 56.36 2rqe n LEU 84 Cb 0.54 -0.80 0.00 0.00 -2.33 0.00 0.00 43.42 40.83 2rqe n LEU 84 CO 0.62 0.04 0.00 0.61 -1.33 0.00 0.00 177.39 177.33 2rqe n GLY 85 N 1.40 -0.70 3.49 -0.72 0.00 -1.26 -4.95 105.19 102.45 2rqe n GLY 85 Ca -0.29 -0.77 -0.24 0.00 0.00 0.00 0.00 46.02 44.72 2rqe n GLY 85 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2rqe s TYR 86 N 0.00 1.80 -0.30 1.61 2.02 -0.68 -4.98 117.35 116.82 2rqe s TYR 86 Ca 0.00 -1.23 -0.22 0.00 -0.37 0.00 0.00 57.07 55.25 2rqe s TYR 86 Cb 0.00 -1.16 0.19 0.00 -0.40 0.00 0.00 41.96 40.59 2rqe s TYR 86 CO 0.00 -0.26 1.31 0.50 -1.57 0.00 0.00 175.55 175.53 2rqe s ARG 87 N -3.76 0.13 0.80 -0.62 3.52 -1.26 -0.33 118.95 117.43 2rqe s ARG 87 Ca 0.27 0.18 -0.11 0.00 -0.13 0.00 0.00 55.73 55.93 2rqe s ARG 87 Cb 0.04 0.05 0.07 0.00 -1.56 0.00 0.00 34.95 33.55 2rqe s ARG 87 CO 0.15 -0.02 1.09 -1.14 -0.81 0.00 0.00 175.30 174.57 2rqe s GLN 88 N 0.45 2.08 0.00 5.12 2.00 -0.13 -4.68 119.66 124.49 2rqe s GLN 88 Ca 0.01 0.78 0.00 0.00 -2.00 0.00 0.00 55.36 54.15 2rqe s GLN 88 Cb -0.04 -1.91 0.00 0.00 0.80 0.00 0.00 33.01 31.86 2rqe s GLN 88 CO -0.13 -1.66 0.00 -0.25 -0.50 0.00 0.00 175.29 172.75 2rqe n ASP 89 N -3.48 0.00 0.00 6.67 9.92 -1.26 -4.13 116.55 124.27 2rqe n ASP 89 Ca 0.07 -0.99 0.00 0.00 -0.53 0.00 0.00 54.79 53.34 2rqe n ASP 89 Cb 0.55 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.03 2rqe n ASP 89 CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 2rqe n ASN 90 N -2.39 0.00 -3.29 -2.24 2.85 -1.26 -4.69 115.26 104.24 2rqe n ASN 90 Ca 0.00 0.00 -0.19 0.00 -0.11 0.00 0.00 54.58 54.28 2rqe n ASN 90 Cb 0.00 0.00 0.02 0.00 1.24 0.00 0.00 39.78 41.04 2rqe n ASN 90 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2rqe n GLY 91 N 0.00 -0.28 3.30 8.20 0.00 -1.16 -4.87 105.19 110.38 2rqe n GLY 91 Ca 0.00 0.66 0.03 0.00 0.00 0.00 0.00 46.02 46.71 2rqe n GLY 91 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2rqe s GLU 92 N -1.83 0.28 -0.29 1.61 2.12 -1.19 -4.33 118.70 115.07 2rqe s GLU 92 Ca 0.20 0.64 -0.01 0.00 0.36 0.00 0.00 54.97 56.15 2rqe s GLU 92 Cb -0.02 0.38 0.18 0.00 0.26 0.00 0.00 34.13 34.92 2rqe s GLU 92 CO 0.51 -0.18 0.54 -1.58 -0.54 0.00 0.00 175.26 174.02 2rqe s TRP 93 N 2.63 -1.42 0.19 5.30 0.51 0.10 -4.96 118.94 121.28 2rqe s TRP 93 Ca 0.00 1.47 -0.28 0.00 -2.12 0.00 0.00 56.10 55.17 2rqe s TRP 93 Cb -0.08 0.42 -0.08 0.00 -0.81 0.00 0.00 33.47 32.92 2rqe s TRP 93 CO -0.16 -0.85 0.88 0.99 -0.51 0.00 0.00 176.95 177.30 2rqe s THR 94 N 2.78 4.26 -0.34 2.01 2.01 -1.26 -0.40 115.64 124.71 2rqe s THR 94 Ca 0.19 1.94 -0.29 0.00 0.31 0.00 0.00 61.69 63.84 2rqe s THR 94 Cb -0.15 -4.26 -0.01 0.00 0.01 0.00 0.00 72.50 68.09 2rqe s THR 94 CO -0.20 0.47 1.67 -0.69 -0.69 0.00 0.00 174.62 175.18 2rqe s VAL 95 N -0.94 3.62 0.00 3.82 1.01 -0.21 -4.76 120.40 122.95 2rqe s VAL 95 Ca 0.40 0.64 0.00 0.00 0.00 0.00 0.00 61.98 63.02 2rqe s VAL 95 Cb -0.24 -3.80 0.00 0.00 0.00 0.00 0.00 36.38 32.33 2rqe s VAL 95 CO 0.29 -0.49 0.42 -0.62 0.00 0.00 0.00 175.10 174.70 2rqe n GLU 96 N 8.24 0.30 -3.34 2.72 1.02 -1.26 -2.63 120.64 125.69 2rqe n GLU 96 Ca 0.21 -0.51 -0.19 0.00 -0.02 0.00 0.00 57.16 56.64 2rqe n GLU 96 Cb 0.47 -0.71 -0.02 0.00 -0.02 0.00 0.00 31.44 31.16 2rqe n GLU 96 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2rqe n GLY 97 N -0.09 3.22 3.43 0.62 0.00 -1.26 -5.06 105.19 106.05 2rqe n GLY 97 Ca 0.00 -2.28 -0.14 0.00 0.00 0.00 0.00 46.02 43.60 2rqe n GLY 97 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2rqe s PHE 98 N -1.97 -0.52 0.22 1.61 5.36 -1.26 -3.95 117.98 117.48 2rqe s PHE 98 Ca 0.12 0.59 -0.22 0.00 -0.96 0.00 0.00 56.93 56.46 2rqe s PHE 98 Cb -0.01 0.42 0.06 0.00 -0.34 0.00 0.00 43.02 43.16 2rqe s PHE 98 CO 0.08 -0.70 0.94 0.14 -1.46 0.00 0.00 175.22 174.22 2rqe s VAL 99 N -2.54 0.00 -0.03 3.12 -7.23 -1.08 -4.64 120.40 108.00 2rqe s VAL 99 Ca -0.05 -0.72 -0.00 0.00 -1.81 0.00 0.00 61.98 59.40 2rqe s VAL 99 Cb -0.01 -2.52 0.03 0.00 0.56 0.00 0.00 36.38 34.45 2rqe s VAL 99 CO -0.02 0.00 0.03 -1.81 -0.31 0.00 0.00 175.10 172.98 2rqe s ASP 100 N -3.15 0.45 -0.75 4.85 1.11 -1.26 -3.89 116.67 114.02 2rqe s ASP 100 Ca 0.17 0.02 -0.08 0.00 0.18 0.00 0.00 52.55 52.84 2rqe s ASP 100 Cb -0.03 -0.15 -0.18 0.00 1.07 0.00 0.00 42.92 43.63 2rqe s ASP 100 CO 0.06 -0.15 3.31 1.21 1.18 0.00 0.00 175.17 180.78 2rqe n GLU 101 N 4.42 2.80 0.00 8.23 2.13 -1.26 -5.05 120.64 131.92 2rqe n GLU 101 Ca -0.22 -1.58 0.00 0.00 0.66 0.00 0.00 57.16 56.02 2rqe n GLU 101 Cb 0.50 -2.37 0.00 0.00 0.27 0.00 0.00 31.44 29.84 2rqe n GLU 101 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72