#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 0.79 -1.54 2.98 1.02 -1.26 -5.08 120.64 117.56 2rqe n GLU 2 Ca 0.00 -2.97 0.00 0.00 -0.02 0.00 0.00 57.16 54.17 2rqe n GLU 2 Cb 0.00 -1.35 0.00 0.00 -0.02 0.00 0.00 31.44 30.07 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 1.14 -1.94 -1.21 0.62 0.00 -1.26 -4.45 120.51 113.41 2rqe n ALA 3 Ca 0.19 0.44 -0.30 0.00 0.00 0.00 0.00 53.44 53.77 2rqe n ALA 3 Cb 0.58 -1.37 0.14 0.00 0.00 0.00 0.00 19.45 18.80 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 -3.81 1.26 0.21 0.00 0.04 -1.26 -4.89 135.00 126.54 2rqe s PRO 4 Ca 0.00 0.82 -0.30 0.00 0.04 0.00 0.00 61.00 61.56 2rqe s PRO 4 Cb 0.00 -1.81 -0.09 0.00 0.04 0.00 0.00 34.50 32.64 2rqe s PRO 4 CO 0.00 -2.24 1.30 -1.25 0.04 0.00 0.00 177.00 174.85 2rqe s PRO 5 N -4.94 4.40 0.12 0.56 0.04 -1.26 -4.95 135.00 128.96 2rqe s PRO 5 Ca 0.63 2.05 -0.30 0.00 0.04 0.00 0.00 61.00 63.42 2rqe s PRO 5 Cb -0.18 -3.19 -0.06 0.00 0.04 0.00 0.00 34.50 31.11 2rqe s PRO 5 CO 0.57 -0.23 0.95 0.00 0.04 0.00 0.00 177.00 178.32 2rqe s ALA 6 N 0.02 3.26 -1.18 8.56 0.00 -1.26 -4.60 121.76 126.56 2rqe s ALA 6 Ca 0.56 0.56 -0.11 0.00 0.00 0.00 0.00 51.96 52.97 2rqe s ALA 6 Cb -0.36 -3.25 0.22 0.00 0.00 0.00 0.00 23.12 19.72 2rqe s ALA 6 CO 0.39 -0.00 1.40 2.41 0.00 0.00 0.00 175.76 179.96 2rqe n THR 7 N 2.70 4.48 -2.86 0.00 -1.04 0.15 -4.98 114.28 112.72 2rqe n THR 7 Ca 0.02 -5.02 -0.43 0.00 -2.04 0.00 0.00 64.05 56.58 2rqe n THR 7 Cb 0.49 -2.45 -0.04 0.00 -1.82 0.00 0.00 70.33 66.50 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 -0.01 4.06 0.00 -4.42 1.02 -1.26 -2.53 118.68 115.54 2rqe s LEU 8 Ca 0.37 0.20 0.00 0.00 0.02 0.00 0.00 54.13 54.72 2rqe s LEU 8 Cb -0.03 -3.14 0.00 0.00 0.02 0.00 0.00 46.19 43.04 2rqe s LEU 8 CO -0.01 -0.95 0.00 -0.62 0.02 0.00 0.00 176.35 174.79 2rqe n GLU 9 N 6.91 2.32 -3.28 1.70 -0.58 -0.48 -4.91 120.64 122.32 2rqe n GLU 9 Ca 0.05 0.00 -0.23 0.00 -0.42 0.00 0.00 57.16 56.56 2rqe n GLU 9 Cb 0.48 0.00 -0.08 0.00 -0.57 0.00 0.00 31.44 31.27 2rqe n GLU 9 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2rqe s ALA 10 N -3.65 0.74 1.07 0.62 0.00 -1.25 -4.67 121.76 114.61 2rqe s ALA 10 Ca 0.00 -2.06 -0.14 0.00 0.00 0.00 0.00 51.96 49.76 2rqe s ALA 10 Cb 0.00 -1.80 0.23 0.00 0.00 0.00 0.00 23.12 21.55 2rqe s ALA 10 CO 0.00 -2.02 1.09 0.42 0.00 0.00 0.00 175.76 175.25 2rqe s ILE 11 N 0.25 1.88 1.17 0.00 -1.09 -1.26 -2.23 121.20 119.92 2rqe s ILE 11 Ca 0.32 0.00 -0.17 0.00 -2.23 0.00 0.00 60.65 58.56 2rqe s ILE 11 Cb 0.02 -2.48 0.19 0.00 -1.58 0.00 0.00 42.46 38.62 2rqe s ILE 11 CO -0.17 0.00 0.36 1.41 -1.23 0.00 0.00 174.94 175.31 2rqe n HIS 12 N -4.41 -1.88 0.50 3.97 8.25 -1.22 -4.64 115.22 115.79 2rqe n HIS 12 Ca 0.07 -0.08 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2rqe n HIS 12 Cb 0.58 -1.52 0.00 0.00 1.12 0.00 0.00 29.99 30.17 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 -3.08 0.49 -0.28 -0.41 -0.04 -1.26 -2.34 135.00 128.09 2rqe n PRO 13 Ca 0.03 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.57 2rqe n PRO 13 Cb 0.56 -1.24 0.12 0.00 -0.04 0.00 0.00 33.50 32.90 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 0.24 1.03 -2.71 0.54 2.85 -1.25 -4.28 118.16 114.58 2rqe n LYS 14 Ca 0.00 -2.36 0.00 0.00 -1.05 0.00 0.00 58.31 54.90 2rqe n LYS 14 Cb 0.12 -1.27 0.00 0.00 -0.65 0.00 0.00 35.03 33.23 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 -1.05 -1.41 3.30 2.58 0.00 -0.22 -4.10 105.19 104.30 2rqe n GLY 15 Ca 0.13 -1.51 -0.09 0.00 0.00 0.00 0.00 46.02 44.55 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 0.93 -0.03 0.99 2.96 -1.24 -4.09 118.68 118.20 2rqe s LEU 16 Ca 0.00 -0.63 0.06 0.00 -0.22 0.00 0.00 54.13 53.34 2rqe s LEU 16 Cb 0.00 1.37 -0.01 0.00 0.50 0.00 0.00 46.19 48.05 2rqe s LEU 16 CO 0.00 -0.84 -0.22 -0.60 -1.32 0.00 0.00 176.35 173.38 2rqe s ARG 17 N -3.88 1.91 -0.23 1.98 3.52 -1.26 -0.21 118.95 120.78 2rqe s ARG 17 Ca 0.09 -0.77 -0.03 0.00 -0.13 0.00 0.00 55.73 54.88 2rqe s ARG 17 Cb 0.03 -1.76 0.12 0.00 -1.56 0.00 0.00 34.95 31.78 2rqe s ARG 17 CO -0.07 0.41 0.31 0.08 -0.81 0.00 0.00 175.30 175.22 2rqe s VAL 18 N -0.35 -0.48 0.19 7.11 1.01 -0.96 -1.38 120.40 125.54 2rqe s VAL 18 Ca 0.04 -0.09 0.10 0.00 0.00 0.00 0.00 61.98 62.03 2rqe s VAL 18 Cb -0.10 -0.75 -0.04 0.00 0.00 0.00 0.00 36.38 35.48 2rqe s VAL 18 CO 0.01 -0.16 -0.19 -0.55 0.00 0.00 0.00 175.10 174.20 2rqe s SER 19 N 2.45 2.97 0.02 3.32 0.15 -1.05 -2.17 113.70 119.40 2rqe s SER 19 Ca 0.10 -0.90 -0.02 0.00 0.70 0.00 0.00 55.95 55.83 2rqe s SER 19 Cb -0.16 -0.20 -0.02 0.00 -1.71 0.00 0.00 66.02 63.94 2rqe s SER 19 CO -0.14 -0.00 0.02 0.68 1.20 0.00 0.00 173.24 175.00 2rqe s VAL 20 N -2.12 0.12 0.03 4.45 -7.23 -0.69 0.30 120.40 115.27 2rqe s VAL 20 Ca 0.20 -0.98 -0.30 0.00 -1.81 0.00 0.00 61.98 59.08 2rqe s VAL 20 Cb -0.06 -0.51 -0.06 0.00 0.56 0.00 0.00 36.38 36.31 2rqe s VAL 20 CO 0.09 -0.54 1.42 -2.16 -0.31 0.00 0.00 175.10 173.60 2rqe s PRO 21 N -1.85 4.28 -0.97 4.82 0.04 -1.26 -1.89 135.00 138.18 2rqe s PRO 21 Ca -0.12 2.02 -0.13 0.00 0.04 0.00 0.00 61.00 62.81 2rqe s PRO 21 Cb -0.07 -3.50 0.22 0.00 0.04 0.00 0.00 34.50 31.19 2rqe s PRO 21 CO -0.02 -0.56 0.99 0.34 0.04 0.00 0.00 177.00 177.80 2rqe s ASP 22 N 1.76 6.94 0.55 6.66 2.15 -1.26 -4.84 116.67 128.63 2rqe s ASP 22 Ca 0.65 -2.88 0.33 0.00 0.43 0.00 0.00 52.55 51.08 2rqe s ASP 22 Cb -0.33 -2.26 1.39 0.00 -0.30 0.00 0.00 42.92 41.42 2rqe s ASP 22 CO 0.28 -0.59 2.00 -0.08 -0.17 0.00 0.00 175.17 176.61 2rqe h GLU 23 N 7.57 0.00 0.00 4.34 4.81 -1.93 -3.42 114.58 125.95 2rqe h GLU 23 Ca 0.16 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.39 2rqe h GLU 23 Cb 0.97 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.35 2rqe h GLU 23 CO 0.93 0.03 0.00 0.41 -0.73 0.00 0.00 179.01 179.65 2rqe n GLY 24 N -0.05 0.00 3.90 1.92 0.00 -1.26 -5.16 105.19 104.54 2rqe n GLY 24 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.74 2rqe n GLY 24 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2rqe s PHE 25 N 0.00 3.09 0.00 1.61 0.40 -1.26 -4.07 117.98 117.75 2rqe s PHE 25 Ca 0.00 0.79 0.00 0.00 -0.60 0.00 0.00 56.93 57.12 2rqe s PHE 25 Cb 0.00 -3.25 0.00 0.00 0.51 0.00 0.00 43.02 40.28 2rqe s PHE 25 CO 0.00 -1.45 0.00 0.45 0.70 0.00 0.00 175.22 174.92 2rqe n SER 26 N -3.09 0.15 -3.72 1.36 2.88 0.59 -4.92 113.62 106.86 2rqe n SER 26 Ca 0.07 -0.30 -0.13 0.00 -1.33 0.00 0.00 58.87 57.18 2rqe n SER 26 Cb 0.59 0.64 -0.10 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 -1.31 0.38 0.00 2.46 1.98 -1.22 -4.47 118.68 116.50 2rqe s LEU 27 Ca 0.00 0.77 0.01 0.00 -2.89 0.00 0.00 54.13 52.03 2rqe s LEU 27 Cb 0.00 1.49 -0.00 0.00 0.66 0.00 0.00 46.19 48.33 2rqe s LEU 27 CO 0.00 -0.20 -0.04 0.12 -1.89 0.00 0.00 176.35 174.35 2rqe s PHE 28 N 0.01 0.33 0.02 5.38 5.36 -0.18 -1.97 117.98 126.94 2rqe s PHE 28 Ca -0.02 -0.10 0.03 0.00 -0.96 0.00 0.00 56.93 55.88 2rqe s PHE 28 Cb -0.03 -0.21 -0.02 0.00 -0.34 0.00 0.00 43.02 42.42 2rqe s PHE 28 CO 0.01 -0.02 -0.09 0.00 -1.46 0.00 0.00 175.22 173.67 2rqe s ALA 29 N -0.20 0.70 -0.21 11.12 0.00 0.11 0.17 121.76 133.45 2rqe s ALA 29 Ca 0.00 -0.57 -0.01 0.00 0.00 0.00 0.00 51.96 51.38 2rqe s ALA 29 Cb -0.02 -0.09 0.06 0.00 0.00 0.00 0.00 23.12 23.07 2rqe s ALA 29 CO -0.00 0.10 0.00 0.12 0.00 0.00 0.00 175.76 175.98 2rqe s PHE 30 N -0.72 1.62 -0.35 0.00 5.36 -0.78 -2.75 117.98 120.35 2rqe s PHE 30 Ca -0.02 -1.26 -0.00 0.00 -0.96 0.00 0.00 56.93 54.69 2rqe s PHE 30 Cb -0.06 -1.28 0.12 0.00 -0.34 0.00 0.00 43.02 41.46 2rqe s PHE 30 CO 0.00 -0.69 0.18 -1.58 -1.46 0.00 0.00 175.22 171.68 2rqe s HIS 31 N 1.66 1.15 0.25 10.12 2.46 -1.26 -2.89 115.29 126.78 2rqe s HIS 31 Ca -0.03 -1.71 0.04 0.00 0.47 0.00 0.00 55.06 53.83 2rqe s HIS 31 Cb -0.18 -1.31 -0.01 0.00 -0.13 0.00 0.00 32.58 30.95 2rqe s HIS 31 CO -0.08 -0.83 0.25 0.41 -2.47 0.00 0.00 174.74 172.03 2rqe n GLY 32 N 4.29 2.97 0.00 1.59 0.00 -1.25 -3.89 105.19 108.90 2rqe n GLY 32 Ca 0.05 -1.76 0.00 0.00 0.00 0.00 0.00 46.02 44.31 2rqe n GLY 32 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2rqe n LYS 33 N -0.46 1.37 -4.17 1.61 5.02 -1.25 -0.03 118.16 120.24 2rqe n LYS 33 Ca 0.04 0.00 -0.21 0.00 -2.02 0.00 0.00 58.31 56.13 2rqe n LYS 33 Cb 0.45 0.00 -0.16 0.00 -0.02 0.00 0.00 35.03 35.29 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 1.32 -1.56 -0.35 1.98 -1.26 -4.18 118.68 114.62 2rqe s LEU 34 Ca 0.00 -0.14 0.00 0.00 -2.89 0.00 0.00 54.13 51.10 2rqe s LEU 34 Cb 0.00 -0.49 0.00 0.00 0.66 0.00 0.00 46.19 46.36 2rqe s LEU 34 CO 0.00 -0.05 0.00 0.59 -1.89 0.00 0.00 176.35 175.00 2rqe n ASN 35 N 4.09 -5.63 -3.70 3.68 3.02 -1.03 -4.92 115.26 110.76 2rqe n ASN 35 Ca -0.24 0.36 -0.14 0.00 -0.03 0.00 0.00 54.58 54.54 2rqe n ASN 35 Cb 0.51 -4.42 -0.09 0.00 -0.61 0.00 0.00 39.78 35.17 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 -3.24 0.61 0.19 3.52 2.56 -1.26 -5.06 118.70 116.01 2rqe s GLU 36 Ca 0.00 0.52 0.10 0.00 0.00 0.00 0.00 54.97 55.60 2rqe s GLU 36 Cb 0.00 0.29 -0.04 0.00 2.00 0.00 0.00 34.13 36.38 2rqe s GLU 36 CO 0.00 -0.10 -0.18 -1.83 -0.56 0.00 0.00 175.26 172.59 2rqe s GLU 37 N -0.06 1.75 0.55 4.30 -1.05 -1.26 -4.05 118.70 118.88 2rqe s GLU 37 Ca -0.03 -1.42 0.05 0.00 -0.15 0.00 0.00 54.97 53.43 2rqe s GLU 37 Cb -0.03 -1.98 0.04 0.00 -0.44 0.00 0.00 34.13 31.72 2rqe s GLU 37 CO 0.02 0.41 0.41 0.00 0.95 0.00 0.00 175.26 177.05 2rqe s MET 38 N -2.75 2.25 0.35 -4.83 0.23 -1.26 -5.08 119.30 108.20 2rqe s MET 38 Ca 0.23 -2.03 0.03 0.00 -1.03 0.00 0.00 55.69 52.89 2rqe s MET 38 Cb -0.08 -2.09 -0.04 0.00 -1.53 0.00 0.00 34.83 31.08 2rqe s MET 38 CO 0.12 -0.64 0.10 -2.00 -2.03 0.00 0.00 175.02 170.57 2rqe s GLU 39 N -4.29 1.73 -1.66 3.16 2.56 -1.26 -4.82 118.70 114.12 2rqe s GLU 39 Ca 0.34 -2.00 -0.18 0.00 0.00 0.00 0.00 54.97 53.12 2rqe s GLU 39 Cb -0.02 -0.65 0.16 0.00 2.00 0.00 0.00 34.13 35.62 2rqe s GLU 39 CO 0.21 -0.33 0.75 0.41 -0.56 0.00 0.00 175.26 175.73 2rqe n GLY 40 N -0.74 -0.45 2.81 -1.50 0.00 -1.26 -2.82 105.19 101.23 2rqe n GLY 40 Ca -0.03 0.12 -0.22 0.00 0.00 0.00 0.00 46.02 45.89 2rqe n GLY 40 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2rqe n LEU 41 N -4.28 -1.40 0.00 0.99 -0.00 -1.26 -4.95 117.00 106.09 2rqe n LEU 41 Ca 0.08 -0.27 0.00 0.00 -0.00 0.00 0.00 56.01 55.82 2rqe n LEU 41 Cb 0.49 -0.99 0.00 0.00 -0.00 0.00 0.00 43.42 42.92 2rqe n LEU 41 CO 0.83 0.09 0.00 -1.84 -0.00 0.00 0.00 177.39 176.46 2rqe n GLU 42 N -0.66 2.88 -3.25 1.47 0.28 -1.13 -5.08 120.64 115.15 2rqe n GLU 42 Ca -0.10 0.00 -0.45 0.00 -0.16 0.00 0.00 57.16 56.44 2rqe n GLU 42 Cb 0.43 0.00 -0.05 0.00 1.43 0.00 0.00 31.44 33.25 2rqe n GLU 42 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2rqe s ALA 43 N -2.00 3.54 0.00 -1.84 0.00 -1.26 -4.90 121.76 115.30 2rqe s ALA 43 Ca 0.00 -2.31 0.00 0.00 0.00 0.00 0.00 51.96 49.65 2rqe s ALA 43 Cb 0.00 -3.33 0.00 0.00 0.00 0.00 0.00 23.12 19.79 2rqe s ALA 43 CO 0.00 -2.08 0.00 0.41 0.00 0.00 0.00 175.76 174.09 2rqe n GLY 44 N 5.25 -2.51 0.10 0.00 0.00 -1.26 -4.96 105.19 101.81 2rqe n GLY 44 Ca -0.12 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.77 2rqe n GLY 44 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2rqe n HIS 45 N 0.00 0.00 -1.15 1.61 -0.00 0.96 -4.90 115.22 111.74 2rqe n HIS 45 Ca 0.00 0.00 -0.34 0.00 0.46 0.00 0.00 57.72 57.84 2rqe n HIS 45 Cb 0.00 0.00 0.11 0.00 -0.12 0.00 0.00 29.99 29.98 2rqe n HIS 45 CO 0.00 0.00 0.00 0.91 0.46 0.00 0.00 176.34 177.71 2rqe n TRP 46 N -2.35 0.83 -3.30 1.57 8.01 0.03 -4.86 117.44 117.37 2rqe n TRP 46 Ca 0.00 0.39 -0.06 0.00 -1.31 0.00 0.00 57.50 56.51 2rqe n TRP 46 Cb 0.00 -2.07 -0.06 0.00 -2.01 0.00 0.00 31.31 27.17 2rqe n TRP 46 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.69 175.14 2rqe s SER 47 N -1.96 -0.07 0.15 -0.99 1.04 -1.24 -3.85 113.70 106.78 2rqe s SER 47 Ca 0.72 0.25 -0.19 0.00 0.48 0.00 0.00 55.95 57.20 2rqe s SER 47 Cb -0.30 1.32 0.05 0.00 0.10 0.00 0.00 66.02 67.19 2rqe s SER 47 CO 0.52 -0.30 0.51 -0.60 0.98 0.00 0.00 173.24 174.35 2rqe s ARG 48 N 2.61 1.21 -0.22 4.02 3.00 -1.14 -5.03 118.95 123.41 2rqe s ARG 48 Ca 0.14 -0.63 -0.04 0.00 -1.00 0.00 0.00 55.73 54.20 2rqe s ARG 48 Cb -0.15 0.53 0.10 0.00 0.00 0.00 0.00 34.95 35.43 2rqe s ARG 48 CO -0.19 -0.51 0.22 -0.51 0.00 0.00 0.00 175.30 174.31 2rqe s ASP 49 N -2.79 1.55 -0.66 -2.12 1.01 -1.26 -1.87 116.67 110.53 2rqe s ASP 49 Ca 0.03 -0.35 -0.24 0.00 0.71 0.00 0.00 52.55 52.70 2rqe s ASP 49 Cb 0.00 0.34 0.06 0.00 1.01 0.00 0.00 42.92 44.33 2rqe s ASP 49 CO -0.11 -0.34 1.04 -0.63 0.21 0.00 0.00 175.17 175.34 2rqe s ILE 50 N 2.31 4.19 -0.36 0.77 -1.09 0.45 -4.87 121.20 122.60 2rqe s ILE 50 Ca 0.07 -0.07 0.03 0.00 -2.23 0.00 0.00 60.65 58.45 2rqe s ILE 50 Cb -0.16 -4.72 0.28 0.00 -1.58 0.00 0.00 42.46 36.29 2rqe s ILE 50 CO -0.16 -1.49 1.23 0.35 -1.23 0.00 0.00 174.94 173.64 2rqe n THR 51 N 6.08 1.59 0.00 2.92 -2.24 -1.26 -1.01 114.28 120.36 2rqe n THR 51 Ca -0.01 -0.68 0.00 0.00 -2.27 0.00 0.00 64.05 61.09 2rqe n THR 51 Cb 0.47 -0.66 0.00 0.00 -2.10 0.00 0.00 70.33 68.04 2rqe n THR 51 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2rqe n LYS 52 N -0.01 0.00 -1.18 -0.78 5.02 -1.26 -4.88 118.16 115.07 2rqe n LYS 52 Ca 0.19 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 56.19 2rqe n LYS 52 Cb 0.84 0.00 0.16 0.00 -0.02 0.00 0.00 35.03 36.02 2rqe n LYS 52 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2rqe s PRO 53 N -0.54 0.68 -0.10 1.97 0.04 -1.26 -4.94 135.00 130.85 2rqe s PRO 53 Ca 0.00 0.61 -0.12 0.00 0.04 0.00 0.00 61.00 61.52 2rqe s PRO 53 Cb 0.00 -1.76 -0.04 0.00 0.04 0.00 0.00 34.50 32.74 2rqe s PRO 53 CO 0.00 -2.58 -0.24 1.17 0.04 0.00 0.00 177.00 175.39 2rqe n LYS 54 N -4.09 0.36 -2.79 4.56 4.81 -0.98 -4.86 118.16 115.19 2rqe n LYS 54 Ca 0.06 0.14 -0.18 0.00 -0.87 0.00 0.00 58.31 57.46 2rqe n LYS 54 Cb 0.57 -1.13 -0.00 0.00 0.02 0.00 0.00 35.03 34.48 2rqe n LYS 54 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 2rqe n ASN 55 N -4.12 2.55 0.00 3.14 4.13 -1.26 -4.90 115.26 114.80 2rqe n ASN 55 Ca -0.10 -3.18 0.00 0.00 1.68 0.00 0.00 54.58 52.99 2rqe n ASN 55 Cb 0.36 -0.54 0.00 0.00 -1.54 0.00 0.00 39.78 38.06 2rqe n ASN 55 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2rqe n GLY 56 N -0.11 3.32 3.24 7.41 0.00 -1.26 -5.00 105.19 112.78 2rqe n GLY 56 Ca 0.23 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.12 2rqe n GLY 56 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2rqe s ARG 57 N -0.64 1.06 -0.92 1.61 0.52 -1.26 -4.06 118.95 115.25 2rqe s ARG 57 Ca 0.00 -1.48 -0.21 0.00 -0.52 0.00 0.00 55.73 53.51 2rqe s ARG 57 Cb 0.00 -0.38 0.09 0.00 0.52 0.00 0.00 34.95 35.18 2rqe s ARG 57 CO 0.00 -0.05 1.24 -1.58 0.02 0.00 0.00 175.30 174.93 2rqe s TRP 58 N -3.54 2.79 -0.01 -0.53 0.52 -0.79 -2.31 118.94 115.07 2rqe s TRP 58 Ca 0.20 -0.99 -0.03 0.00 0.02 0.00 0.00 56.10 55.30 2rqe s TRP 58 Cb 0.05 -4.47 -0.04 0.00 -1.15 0.00 0.00 33.47 27.86 2rqe s TRP 58 CO 0.02 -1.72 0.17 0.42 0.02 0.00 0.00 176.95 175.86 2rqe s ILE 59 N 3.93 5.37 0.04 2.03 1.01 -1.26 -1.70 121.20 130.62 2rqe s ILE 59 Ca 0.37 -0.18 -0.04 0.00 0.00 0.00 0.00 60.65 60.80 2rqe s ILE 59 Cb -0.05 -3.51 -0.02 0.00 0.01 0.00 0.00 42.46 38.90 2rqe s ILE 59 CO -0.06 0.33 0.06 0.12 0.00 0.00 0.00 174.94 175.39 2rqe s PHE 60 N -1.31 0.26 -0.08 3.97 5.36 -0.92 -4.88 117.98 120.38 2rqe s PHE 60 Ca 0.27 -0.60 -0.03 0.00 -0.96 0.00 0.00 56.93 55.61 2rqe s PHE 60 Cb -0.13 -0.19 0.05 0.00 -0.34 0.00 0.00 43.02 42.41 2rqe s PHE 60 CO 0.18 -0.35 0.15 1.03 -1.46 0.00 0.00 175.22 174.78 2rqe s ARG 61 N -2.68 0.02 0.61 10.12 3.00 -1.26 -2.27 118.95 126.49 2rqe s ARG 61 Ca -0.04 0.54 0.01 0.00 0.00 0.00 0.00 55.73 56.23 2rqe s ARG 61 Cb -0.01 -0.31 0.12 0.00 0.00 0.00 0.00 34.95 34.75 2rqe s ARG 61 CO -0.05 -0.31 0.83 -3.47 0.00 0.00 0.00 175.30 172.30 2rqe n ASP 62 N 5.32 1.22 -0.03 0.23 2.03 0.70 -4.93 116.55 121.10 2rqe n ASP 62 Ca -0.04 -2.00 0.00 0.00 0.52 0.00 0.00 54.79 53.26 2rqe n ASP 62 Cb 0.50 -0.53 0.00 0.00 -0.72 0.00 0.00 41.12 40.37 2rqe n ASP 62 CO 0.00 0.00 0.00 -2.11 -1.92 0.00 0.00 177.20 173.17 2rqe n ARG 63 N -2.52 0.00 0.00 -0.67 1.85 -1.26 -3.60 116.66 110.47 2rqe n ARG 63 Ca 0.14 -0.39 0.00 0.00 -1.00 0.00 0.00 57.85 56.60 2rqe n ARG 63 Cb 0.50 -0.37 0.00 0.00 -1.05 0.00 0.00 32.46 31.54 2rqe n ARG 63 CO 0.00 0.00 0.00 0.27 -0.01 0.00 0.00 177.63 177.89 2rqe n ASN 64 N 0.00 0.69 -4.50 2.89 0.23 -1.26 -4.26 115.26 109.05 2rqe n ASN 64 Ca 0.00 -0.92 -0.42 0.00 -0.53 0.00 0.00 54.58 52.71 2rqe n ASN 64 Cb 0.51 0.11 -0.03 0.00 -2.08 0.00 0.00 39.78 38.28 2rqe n ASN 64 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2rqe s ALA 65 N -0.11 2.96 -1.11 -2.53 0.00 -1.26 -4.79 121.76 114.91 2rqe s ALA 65 Ca 0.00 -1.72 -0.08 0.00 0.00 0.00 0.00 51.96 50.16 2rqe s ALA 65 Cb 0.00 -4.07 0.28 0.00 0.00 0.00 0.00 23.12 19.33 2rqe s ALA 65 CO 0.00 -3.04 1.15 0.00 0.00 0.00 0.00 175.76 173.87 2rqe n ALA 66 N 8.40 4.33 -2.46 0.00 0.00 -1.26 -1.06 120.51 128.46 2rqe n ALA 66 Ca 0.02 -4.68 -0.22 0.00 0.00 0.00 0.00 53.44 48.56 2rqe n ALA 66 Cb 0.47 -2.44 -0.11 0.00 0.00 0.00 0.00 19.45 17.38 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 -1.46 2.21 -0.01 0.00 -0.00 -1.26 -4.94 118.68 113.22 2rqe s LEU 67 Ca 0.31 -1.39 -0.27 0.00 -0.00 0.00 0.00 54.13 52.78 2rqe s LEU 67 Cb -0.08 -0.40 0.06 0.00 -0.00 0.00 0.00 46.19 45.77 2rqe s LEU 67 CO -0.06 -0.61 0.61 -1.59 -0.00 0.00 0.00 176.35 174.69 2rqe s LYS 68 N -3.88 1.04 -0.14 1.48 0.00 -1.26 -4.23 119.74 112.75 2rqe s LYS 68 Ca 0.36 0.04 -0.17 0.00 0.00 0.00 0.00 55.97 56.21 2rqe s LYS 68 Cb 0.09 0.49 -0.07 0.00 0.00 0.00 0.00 37.83 38.33 2rqe s LYS 68 CO 0.16 -0.35 0.54 -0.89 0.00 0.00 0.00 175.35 174.81 2rqe n ILE 69 N 0.71 0.00 0.00 3.79 2.08 -1.26 -1.88 119.36 122.80 2rqe n ILE 69 Ca -0.19 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.12 2rqe n ILE 69 Cb 0.58 -0.14 0.00 0.00 -0.75 0.00 0.00 39.64 39.34 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 1.25 1.33 0.00 7.39 0.00 -1.26 -5.01 105.19 108.88 2rqe n GLY 70 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 -0.73 -3.81 1.61 8.00 -0.79 -4.80 116.55 116.03 2rqe n ASP 71 Ca 0.00 -0.46 -0.10 0.00 0.71 0.00 0.00 54.79 54.94 2rqe n ASP 71 Cb 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.05 2rqe n ASP 71 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 2rqe s LYS 72 N -2.47 1.64 -0.02 -1.24 1.02 -1.26 -2.29 119.74 115.13 2rqe s LYS 72 Ca 0.00 -1.36 -0.12 0.00 0.02 0.00 0.00 55.97 54.50 2rqe s LYS 72 Cb 0.00 0.47 0.02 0.00 -0.52 0.00 0.00 37.83 37.79 2rqe s LYS 72 CO 0.00 -0.68 0.26 0.42 -0.92 0.00 0.00 175.35 174.42 2rqe s ILE 73 N -3.76 0.06 -0.23 2.17 1.01 0.17 -2.47 121.20 118.15 2rqe s ILE 73 Ca 0.24 -0.51 -0.05 0.00 0.00 0.00 0.00 60.65 60.34 2rqe s ILE 73 Cb -0.01 -0.54 0.12 0.00 0.01 0.00 0.00 42.46 42.04 2rqe s ILE 73 CO 0.11 -0.28 0.43 -0.31 0.00 0.00 0.00 174.94 174.89 2rqe s TYR 74 N -1.24 -0.90 0.00 3.97 1.51 -1.26 0.08 117.35 119.52 2rqe s TYR 74 Ca -0.13 1.30 0.00 0.00 -1.01 0.00 0.00 57.07 57.23 2rqe s TYR 74 Cb -0.06 0.24 0.00 0.00 -0.11 0.00 0.00 41.96 42.03 2rqe s TYR 74 CO 0.03 -0.61 0.00 1.97 -1.11 0.00 0.00 175.55 175.83 2rqe n PHE 75 N 5.39 0.00 -3.70 2.71 -1.74 -1.26 -3.86 117.46 114.99 2rqe n PHE 75 Ca -0.06 0.00 -0.11 0.00 -0.56 0.00 0.00 57.45 56.72 2rqe n PHE 75 Cb 0.50 0.00 -0.10 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 -2.33 -0.57 0.48 2.97 -2.14 -1.25 -2.97 118.94 113.13 2rqe s TRP 76 Ca 0.00 1.26 0.01 0.00 2.66 0.00 0.00 56.10 60.03 2rqe s TRP 76 Cb 0.00 0.24 0.01 0.00 -3.10 0.00 0.00 33.47 30.62 2rqe s TRP 76 CO 0.00 -0.31 0.70 0.95 -2.66 0.00 0.00 176.95 175.63 2rqe s THR 77 N 1.02 3.45 -0.02 0.66 -4.23 -1.25 -4.24 115.64 111.03 2rqe s THR 77 Ca -0.06 -0.60 0.00 0.00 -1.18 0.00 0.00 61.69 59.85 2rqe s THR 77 Cb -0.07 -3.27 0.02 0.00 1.34 0.00 0.00 72.50 70.52 2rqe s THR 77 CO -0.09 -0.19 0.02 0.12 -0.54 0.00 0.00 174.62 173.95 2rqe s PHE 78 N -2.61 0.08 0.34 3.99 2.19 -1.11 -2.38 117.98 118.48 2rqe s PHE 78 Ca 0.52 0.08 0.05 0.00 0.33 0.00 0.00 56.93 57.91 2rqe s PHE 78 Cb -0.10 -0.22 -0.03 0.00 -1.31 0.00 0.00 43.02 41.36 2rqe s PHE 78 CO 0.38 -0.08 0.19 0.14 1.83 0.00 0.00 175.22 177.68 2rqe s VAL 79 N 0.82 0.28 -0.29 3.12 -7.23 -0.57 0.08 120.40 116.61 2rqe s VAL 79 Ca -0.07 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.11 2rqe s VAL 79 Cb -0.10 -2.45 0.15 0.00 0.56 0.00 0.00 36.38 34.54 2rqe s VAL 79 CO -0.02 0.00 0.37 -0.63 -0.31 0.00 0.00 175.10 174.50 2rqe s ILE 80 N -3.45 -0.54 -0.03 -0.62 1.01 -0.83 -2.05 121.20 114.70 2rqe s ILE 80 Ca 0.34 -0.39 0.05 0.00 0.00 0.00 0.00 60.65 60.65 2rqe s ILE 80 Cb 0.03 -0.97 -0.03 0.00 0.01 0.00 0.00 42.46 41.50 2rqe s ILE 80 CO 0.20 -0.36 -0.18 -0.75 0.00 0.00 0.00 174.94 173.85 2rqe s LYS 81 N 2.43 2.33 -0.85 2.79 2.36 -1.26 -0.30 119.74 127.24 2rqe s LYS 81 Ca 0.10 -0.80 -0.06 0.00 -2.55 0.00 0.00 55.97 52.65 2rqe s LYS 81 Cb -0.13 -2.26 0.06 0.00 -1.05 0.00 0.00 37.83 34.45 2rqe s LYS 81 CO -0.30 0.59 0.23 -3.47 1.55 0.00 0.00 175.35 173.95 2rqe n ASP 82 N 2.21 -2.44 -3.31 1.43 2.03 -1.26 0.69 116.55 115.91 2rqe n ASP 82 Ca -0.17 -0.08 -0.24 0.00 0.52 0.00 0.00 54.79 54.82 2rqe n ASP 82 Cb 0.52 -2.11 0.04 0.00 -0.72 0.00 0.00 41.12 38.85 2rqe n ASP 82 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2rqe n GLY 83 N -0.84 -0.52 0.15 0.27 0.00 -1.26 -4.90 105.19 98.09 2rqe n GLY 83 Ca -0.01 0.17 -0.25 0.00 0.00 0.00 0.00 46.02 45.93 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 -4.33 1.92 -0.95 0.99 4.77 0.22 -5.11 117.00 114.51 2rqe n LEU 84 Ca -0.05 0.33 0.00 0.00 -0.03 0.00 0.00 56.01 56.26 2rqe n LEU 84 Cb 0.59 -0.79 0.00 0.00 -2.33 0.00 0.00 43.42 40.89 2rqe n LEU 84 CO 0.55 0.38 0.00 0.61 -1.33 0.00 0.00 177.39 177.60 2rqe n GLY 85 N 1.34 -1.91 3.71 -0.72 0.00 -1.26 -4.95 105.19 101.40 2rqe n GLY 85 Ca -0.45 -0.58 -0.31 0.00 0.00 0.00 0.00 46.02 44.68 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 1.51 -0.87 -4.98 117.35 116.12 2rqe s TYR 86 Ca 0.00 -1.08 -0.22 0.00 -1.01 0.00 0.00 57.07 54.76 2rqe s TYR 86 Cb 0.00 -1.47 0.19 0.00 -0.11 0.00 0.00 41.96 40.57 2rqe s TYR 86 CO 0.00 0.06 1.33 0.50 -1.11 0.00 0.00 175.55 176.33 2rqe s ARG 87 N -3.83 0.10 0.71 -0.62 3.00 -1.26 -1.51 118.95 115.54 2rqe s ARG 87 Ca 0.08 0.14 -0.11 0.00 -1.00 0.00 0.00 55.73 54.85 2rqe s ARG 87 Cb 0.01 0.04 0.02 0.00 0.00 0.00 0.00 34.95 35.02 2rqe s ARG 87 CO 0.05 -0.02 1.07 -1.14 0.00 0.00 0.00 175.30 175.26 2rqe s GLN 88 N 0.42 2.82 0.00 5.12 2.00 -1.00 -4.76 119.66 124.26 2rqe s GLN 88 Ca 0.01 0.89 0.00 0.00 -2.00 0.00 0.00 55.36 54.26 2rqe s GLN 88 Cb -0.04 -1.98 0.00 0.00 0.80 0.00 0.00 33.01 31.79 2rqe s GLN 88 CO -0.13 -1.16 0.00 -0.40 -0.50 0.00 0.00 175.29 173.10 2rqe n ASP 89 N -3.16 0.07 0.00 6.67 5.75 -1.26 -3.97 116.55 120.64 2rqe n ASP 89 Ca 0.07 -0.78 0.00 0.00 -0.01 0.00 0.00 54.79 54.08 2rqe n ASP 89 Cb 0.54 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.63 2rqe n ASP 89 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 2rqe n ASN 90 N -2.28 0.00 -3.33 -1.12 2.85 -1.26 -4.68 115.26 105.43 2rqe n ASN 90 Ca 0.00 0.00 -0.29 0.00 -0.11 0.00 0.00 54.58 54.18 2rqe n ASN 90 Cb 0.00 0.00 0.03 0.00 1.24 0.00 0.00 39.78 41.05 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 -0.32 3.15 8.20 0.00 -1.16 -4.87 105.19 110.19 2rqe n GLY 91 Ca 0.00 1.16 0.05 0.00 0.00 0.00 0.00 46.02 47.23 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 -2.61 0.36 -0.22 1.61 2.12 -1.21 -4.29 118.70 114.46 2rqe s GLU 92 Ca 0.33 0.63 -0.03 0.00 0.36 0.00 0.00 54.97 56.25 2rqe s GLU 92 Cb -0.05 0.35 0.11 0.00 0.26 0.00 0.00 34.13 34.81 2rqe s GLU 92 CO 0.85 -0.39 0.32 -1.58 -0.54 0.00 0.00 175.26 173.92 2rqe s TRP 93 N 2.91 -0.63 -0.05 5.30 0.51 0.11 -4.96 118.94 122.13 2rqe s TRP 93 Ca 0.09 0.70 -0.17 0.00 -2.12 0.00 0.00 56.10 54.59 2rqe s TRP 93 Cb -0.12 -0.08 -0.05 0.00 -0.81 0.00 0.00 33.47 32.40 2rqe s TRP 93 CO -0.15 -0.64 0.47 0.99 -0.51 0.00 0.00 176.95 177.10 2rqe s THR 94 N 2.47 5.06 0.81 2.01 2.01 -1.26 0.42 115.64 127.15 2rqe s THR 94 Ca 0.09 0.95 -0.13 0.00 0.31 0.00 0.00 61.69 62.91 2rqe s THR 94 Cb -0.15 -3.79 0.08 0.00 0.01 0.00 0.00 72.50 68.65 2rqe s THR 94 CO -0.14 0.45 1.20 -0.69 -0.69 0.00 0.00 174.62 174.76 2rqe s VAL 95 N -0.26 2.06 0.00 3.82 1.01 -0.97 -4.90 120.40 121.16 2rqe s VAL 95 Ca 0.26 0.03 0.00 0.00 0.00 0.00 0.00 61.98 62.26 2rqe s VAL 95 Cb -0.16 -2.43 0.00 0.00 0.00 0.00 0.00 36.38 33.79 2rqe s VAL 95 CO 0.13 -0.02 0.00 -0.62 0.00 0.00 0.00 175.10 174.59 2rqe n GLU 96 N -3.30 0.00 -1.35 2.72 1.02 -1.26 -4.21 120.64 114.26 2rqe n GLU 96 Ca 0.13 0.00 -0.02 0.00 -0.02 0.00 0.00 57.16 57.25 2rqe n GLU 96 Cb 0.50 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.93 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 -0.70 2.27 3.50 0.62 0.00 -1.26 -4.97 105.19 104.64 2rqe n GLY 97 Ca 0.00 -2.15 -0.09 0.00 0.00 0.00 0.00 46.02 43.77 2rqe n GLY 97 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2rqe s PHE 98 N 0.38 0.39 0.18 1.61 0.08 -1.26 -3.95 117.98 115.41 2rqe s PHE 98 Ca 0.05 -0.74 -0.23 0.00 0.12 0.00 0.00 56.93 56.13 2rqe s PHE 98 Cb -0.00 0.09 0.07 0.00 -0.57 0.00 0.00 43.02 42.61 2rqe s PHE 98 CO 0.03 -0.90 1.01 0.14 -0.10 0.00 0.00 175.22 175.40 2rqe s VAL 99 N -4.01 0.00 0.01 -0.44 -7.23 -0.95 -4.60 120.40 103.18 2rqe s VAL 99 Ca 0.21 -0.62 0.01 0.00 -1.81 0.00 0.00 61.98 59.77 2rqe s VAL 99 Cb 0.01 -2.56 -0.01 0.00 0.56 0.00 0.00 36.38 34.38 2rqe s VAL 99 CO 0.06 0.00 -0.04 -1.81 -0.31 0.00 0.00 175.10 173.01 2rqe s ASP 100 N -3.22 0.40 -0.49 4.85 1.01 -1.26 -3.44 116.67 114.52 2rqe s ASP 100 Ca 0.18 -0.16 -0.05 0.00 0.71 0.00 0.00 52.55 53.23 2rqe s ASP 100 Cb -0.02 -0.02 0.00 0.00 1.01 0.00 0.00 42.92 43.90 2rqe s ASP 100 CO 0.04 -0.03 2.89 1.21 0.21 0.00 0.00 175.17 179.50 2rqe n GLU 101 N 2.67 2.59 0.00 8.23 4.07 -1.26 -5.03 120.64 131.92 2rqe n GLU 101 Ca -0.15 -2.22 0.09 0.00 -0.06 0.00 0.00 57.16 54.82 2rqe n GLU 101 Cb 0.58 -2.18 0.07 0.00 -0.06 0.00 0.00 31.44 29.85 2rqe n GLU 101 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07