#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 0.71 -0.91 2.98 1.02 -1.26 -5.12 120.64 118.07 2rqe n GLU 2 Ca 0.00 -1.60 -0.31 0.00 -0.02 0.00 0.00 57.16 55.24 2rqe n GLU 2 Cb 0.00 -1.23 -0.01 0.00 -0.02 0.00 0.00 31.44 30.17 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 1.47 -2.30 -1.53 0.62 0.00 -1.26 -4.86 120.51 112.64 2rqe n ALA 3 Ca 0.07 0.23 -0.33 0.00 0.00 0.00 0.00 53.44 53.41 2rqe n ALA 3 Cb 0.65 -1.04 0.04 0.00 0.00 0.00 0.00 19.45 19.11 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 -0.66 2.84 0.20 0.00 0.04 -1.26 -4.94 135.00 131.22 2rqe s PRO 4 Ca 0.41 1.41 -0.30 0.00 0.04 0.00 0.00 61.00 62.56 2rqe s PRO 4 Cb -0.56 -1.95 -0.09 0.00 0.04 0.00 0.00 34.50 31.94 2rqe s PRO 4 CO 0.38 -1.22 1.30 -1.25 0.04 0.00 0.00 177.00 176.26 2rqe s PRO 5 N -4.03 4.39 0.09 0.56 0.04 -1.26 -4.96 135.00 129.83 2rqe s PRO 5 Ca 0.67 2.04 -0.23 0.00 0.04 0.00 0.00 61.00 63.53 2rqe s PRO 5 Cb -0.21 -3.20 -0.07 0.00 0.04 0.00 0.00 34.50 31.07 2rqe s PRO 5 CO 0.40 -0.24 0.70 0.00 0.04 0.00 0.00 177.00 177.90 2rqe s ALA 6 N 0.09 3.47 -1.19 8.56 0.00 -1.26 -4.54 121.76 126.89 2rqe s ALA 6 Ca 0.56 0.21 -0.11 0.00 0.00 0.00 0.00 51.96 52.63 2rqe s ALA 6 Cb -0.36 -2.85 0.21 0.00 0.00 0.00 0.00 23.12 20.11 2rqe s ALA 6 CO 0.38 0.25 1.45 2.41 0.00 0.00 0.00 175.76 180.24 2rqe n THR 7 N 2.09 4.46 -2.50 0.00 -1.04 0.15 -4.98 114.28 112.46 2rqe n THR 7 Ca -0.06 -4.95 -0.43 0.00 -2.04 0.00 0.00 64.05 56.57 2rqe n THR 7 Cb 0.50 -2.44 -0.02 0.00 -1.82 0.00 0.00 70.33 66.55 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 0.11 3.66 0.00 -4.42 1.02 -1.26 -2.88 118.68 114.90 2rqe s LEU 8 Ca 0.38 0.69 0.00 0.00 0.02 0.00 0.00 54.13 55.22 2rqe s LEU 8 Cb -0.01 -3.55 0.00 0.00 0.02 0.00 0.00 46.19 42.65 2rqe s LEU 8 CO -0.01 -1.28 0.00 -0.62 0.02 0.00 0.00 176.35 174.46 2rqe n GLU 9 N 7.82 0.76 -3.54 1.70 -0.58 0.30 -4.81 120.64 122.30 2rqe n GLU 9 Ca 0.14 0.00 -0.27 0.00 -0.42 0.00 0.00 57.16 56.60 2rqe n GLU 9 Cb 0.48 0.00 -0.11 0.00 -0.57 0.00 0.00 31.44 31.25 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 -3.27 2.06 1.08 0.62 0.00 0.73 -4.56 121.76 118.42 2rqe s ALA 10 Ca 0.00 -2.82 -0.15 0.00 0.00 0.00 0.00 51.96 48.99 2rqe s ALA 10 Cb 0.00 -1.75 0.23 0.00 0.00 0.00 0.00 23.12 21.60 2rqe s ALA 10 CO 0.00 -2.01 1.09 0.42 0.00 0.00 0.00 175.76 175.26 2rqe s ILE 11 N -0.33 1.87 1.15 0.00 -1.09 -1.26 -2.64 121.20 118.90 2rqe s ILE 11 Ca 0.30 0.00 -0.18 0.00 -2.23 0.00 0.00 60.65 58.55 2rqe s ILE 11 Cb 0.00 -2.47 0.18 0.00 -1.58 0.00 0.00 42.46 38.59 2rqe s ILE 11 CO -0.18 0.00 0.30 1.41 -1.23 0.00 0.00 174.94 175.23 2rqe n HIS 12 N -4.43 -1.76 0.49 3.97 8.25 -1.25 -4.66 115.22 115.83 2rqe n HIS 12 Ca 0.07 -0.03 0.00 0.00 -0.26 0.00 0.00 57.72 57.51 2rqe n HIS 12 Cb 0.58 -1.53 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 -2.90 0.49 -0.63 -0.41 -0.04 -1.26 -2.40 135.00 127.85 2rqe n PRO 13 Ca 0.03 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.54 2rqe n PRO 13 Cb 0.57 -1.25 0.10 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 0.33 0.80 -2.66 0.54 2.85 -1.25 -4.16 118.16 114.61 2rqe n LYS 14 Ca 0.00 -2.31 0.00 0.00 -1.05 0.00 0.00 58.31 54.95 2rqe n LYS 14 Cb 0.14 -0.98 0.00 0.00 -0.65 0.00 0.00 35.03 33.54 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 -0.60 -1.40 3.27 2.58 0.00 -0.65 -4.10 105.19 104.28 2rqe n GLY 15 Ca 0.11 -1.52 -0.11 0.00 0.00 0.00 0.00 46.02 44.50 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 0.82 -0.05 0.99 2.96 -1.24 -4.12 118.68 118.04 2rqe s LEU 16 Ca 0.00 -0.34 0.05 0.00 -0.22 0.00 0.00 54.13 53.62 2rqe s LEU 16 Cb 0.00 1.47 -0.01 0.00 0.50 0.00 0.00 46.19 48.15 2rqe s LEU 16 CO 0.00 -0.73 -0.21 -0.60 -1.32 0.00 0.00 176.35 173.49 2rqe s ARG 17 N -3.32 2.20 -0.23 1.98 3.52 -1.26 -0.23 118.95 121.61 2rqe s ARG 17 Ca 0.00 -0.77 -0.03 0.00 -0.13 0.00 0.00 55.73 54.80 2rqe s ARG 17 Cb 0.02 -1.88 0.11 0.00 -1.56 0.00 0.00 34.95 31.64 2rqe s ARG 17 CO -0.08 0.32 0.27 0.08 -0.81 0.00 0.00 175.30 175.08 2rqe s VAL 18 N -0.07 -0.41 0.30 7.11 1.01 -0.50 -0.54 120.40 127.31 2rqe s VAL 18 Ca -0.04 -0.18 0.11 0.00 0.00 0.00 0.00 61.98 61.87 2rqe s VAL 18 Cb -0.13 -0.77 -0.06 0.00 0.00 0.00 0.00 36.38 35.42 2rqe s VAL 18 CO 0.03 -0.24 -0.15 -0.55 0.00 0.00 0.00 175.10 174.19 2rqe s SER 19 N 2.39 3.56 0.02 3.32 0.15 -1.14 -1.60 113.70 120.41 2rqe s SER 19 Ca 0.09 -1.10 -0.02 0.00 0.70 0.00 0.00 55.95 55.62 2rqe s SER 19 Cb -0.15 -0.31 -0.02 0.00 -1.71 0.00 0.00 66.02 63.83 2rqe s SER 19 CO -0.17 -0.08 0.01 0.68 1.20 0.00 0.00 173.24 174.87 2rqe s VAL 20 N -2.59 0.13 -0.01 4.45 -7.23 -0.02 0.32 120.40 115.43 2rqe s VAL 20 Ca 0.31 -1.04 -0.30 0.00 -1.81 0.00 0.00 61.98 59.14 2rqe s VAL 20 Cb -0.01 -0.54 -0.06 0.00 0.56 0.00 0.00 36.38 36.33 2rqe s VAL 20 CO 0.15 -0.57 1.46 -2.16 -0.31 0.00 0.00 175.10 173.67 2rqe s PRO 21 N -1.95 4.25 -0.51 4.82 0.04 -1.26 -2.12 135.00 138.27 2rqe s PRO 21 Ca -0.11 2.02 -0.23 0.00 0.04 0.00 0.00 61.00 62.72 2rqe s PRO 21 Cb -0.06 -3.65 0.04 0.00 0.04 0.00 0.00 34.50 30.87 2rqe s PRO 21 CO -0.02 -0.65 0.86 0.34 0.04 0.00 0.00 177.00 177.57 2rqe s ASP 22 N 2.17 6.35 0.00 6.66 2.15 -1.26 -4.87 116.67 127.88 2rqe s ASP 22 Ca 0.66 -0.34 0.21 0.00 0.43 0.00 0.00 52.55 53.51 2rqe s ASP 22 Cb -0.32 -2.41 0.53 0.00 -0.30 0.00 0.00 42.92 40.42 2rqe s ASP 22 CO 0.27 -1.10 1.44 -0.62 -0.17 0.00 0.00 175.17 175.00 2rqe n GLU 23 N 7.09 2.29 0.00 4.34 1.02 -1.26 -4.81 120.64 129.31 2rqe n GLU 23 Ca 0.01 -1.97 0.00 0.00 -0.02 0.00 0.00 57.16 55.18 2rqe n GLU 23 Cb 0.47 -1.47 0.00 0.00 -0.02 0.00 0.00 31.44 30.43 2rqe n GLU 23 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2rqe n GLY 24 N 1.40 0.04 3.49 0.62 0.00 -1.26 -5.09 105.19 104.39 2rqe n GLY 24 Ca 0.19 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.85 1.30 0.00 1.61 0.40 -1.26 -4.36 117.98 114.81 2rqe s PHE 25 Ca 0.00 1.25 0.00 0.00 -0.60 0.00 0.00 56.93 57.58 2rqe s PHE 25 Cb 0.00 -3.11 0.00 0.00 0.51 0.00 0.00 43.02 40.42 2rqe s PHE 25 CO 0.00 -3.89 0.07 0.45 0.70 0.00 0.00 175.22 172.55 2rqe n SER 26 N -4.94 0.14 -3.65 1.36 2.88 0.96 -4.91 113.62 105.45 2rqe n SER 26 Ca 0.04 -0.47 -0.14 0.00 -1.33 0.00 0.00 58.87 56.97 2rqe n SER 26 Cb 0.54 0.41 -0.08 0.00 -0.75 0.00 0.00 64.21 64.33 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 -0.82 -0.21 -0.00 2.46 1.98 -1.23 -4.48 118.68 116.38 2rqe s LEU 27 Ca 0.00 0.97 0.00 0.00 -2.89 0.00 0.00 54.13 52.21 2rqe s LEU 27 Cb 0.00 2.04 0.00 0.00 0.66 0.00 0.00 46.19 48.89 2rqe s LEU 27 CO 0.00 -0.31 -0.00 0.12 -1.89 0.00 0.00 176.35 174.27 2rqe s PHE 28 N -0.16 0.03 0.20 5.38 5.36 0.15 -1.89 117.98 127.05 2rqe s PHE 28 Ca -0.04 0.00 0.08 0.00 -0.96 0.00 0.00 56.93 56.02 2rqe s PHE 28 Cb -0.03 -0.04 -0.05 0.00 -0.34 0.00 0.00 43.02 42.56 2rqe s PHE 28 CO 0.03 -0.01 -0.16 0.00 -1.46 0.00 0.00 175.22 173.62 2rqe s ALA 29 N 0.06 2.10 -0.16 11.12 0.00 0.23 0.12 121.76 135.23 2rqe s ALA 29 Ca -0.00 -1.64 -0.04 0.00 0.00 0.00 0.00 51.96 50.27 2rqe s ALA 29 Cb -0.01 -0.13 0.08 0.00 0.00 0.00 0.00 23.12 23.06 2rqe s ALA 29 CO -0.00 0.13 0.23 0.12 0.00 0.00 0.00 175.76 176.24 2rqe s PHE 30 N -2.70 -0.34 -0.33 0.00 2.19 0.20 -3.55 117.98 113.46 2rqe s PHE 30 Ca 0.22 0.55 0.01 0.00 0.33 0.00 0.00 56.93 58.04 2rqe s PHE 30 Cb -0.02 -0.23 0.15 0.00 -1.31 0.00 0.00 43.02 41.61 2rqe s PHE 30 CO 0.08 -0.48 0.33 -1.01 1.83 0.00 0.00 175.22 175.97 2rqe s HIS 31 N 2.36 -0.34 0.32 10.12 3.76 -1.25 -1.11 115.29 129.16 2rqe s HIS 31 Ca 0.05 -0.55 -0.00 0.00 -0.15 0.00 0.00 55.06 54.40 2rqe s HIS 31 Cb -0.14 -0.45 -0.01 0.00 1.11 0.00 0.00 32.58 33.09 2rqe s HIS 31 CO -0.10 -0.94 0.40 0.20 -0.85 0.00 0.00 174.74 173.45 2rqe s GLY 32 N 1.85 1.65 0.00 -2.22 0.00 -1.26 -3.92 107.32 103.43 2rqe s GLY 32 Ca 0.13 -1.64 0.00 0.00 0.00 0.00 0.00 44.72 43.21 2rqe s GLY 32 CO -0.17 -1.13 0.00 0.28 0.00 0.00 0.00 173.10 172.08 2rqe n LYS 33 N -0.55 1.60 -4.07 2.90 5.02 -1.26 -1.78 118.16 120.02 2rqe n LYS 33 Ca 0.03 0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 56.18 2rqe n LYS 33 Cb 0.62 0.00 -0.12 0.00 -0.02 0.00 0.00 35.03 35.51 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 2.22 -0.99 -0.35 2.96 -1.26 -4.21 118.68 117.05 2rqe s LEU 34 Ca 0.00 -0.48 0.00 0.00 -0.22 0.00 0.00 54.13 53.43 2rqe s LEU 34 Cb 0.00 -0.16 0.00 0.00 0.50 0.00 0.00 46.19 46.53 2rqe s LEU 34 CO 0.00 -0.17 0.00 0.59 -1.32 0.00 0.00 176.35 175.45 2rqe n ASN 35 N 1.69 -2.48 -3.60 3.68 5.03 -1.23 -4.84 115.26 113.51 2rqe n ASN 35 Ca -0.21 0.23 -0.14 0.00 0.87 0.00 0.00 54.58 55.32 2rqe n ASN 35 Cb 0.55 -2.45 -0.07 0.00 -1.02 0.00 0.00 39.78 36.79 2rqe n ASN 35 CO 0.00 0.00 0.00 -0.70 -1.83 0.00 0.00 177.26 174.73 2rqe s GLU 36 N -2.78 0.84 0.21 3.52 2.56 -1.26 -5.11 118.70 116.69 2rqe s GLU 36 Ca 0.00 0.75 0.09 0.00 0.00 0.00 0.00 54.97 55.81 2rqe s GLU 36 Cb 0.00 0.41 -0.04 0.00 2.00 0.00 0.00 34.13 36.50 2rqe s GLU 36 CO 0.00 -0.15 -0.04 -1.83 -0.56 0.00 0.00 175.26 172.68 2rqe s GLU 37 N -0.06 2.23 0.54 4.30 -1.05 -1.26 -4.28 118.70 119.12 2rqe s GLU 37 Ca -0.02 -1.29 0.09 0.00 -0.15 0.00 0.00 54.97 53.59 2rqe s GLU 37 Cb -0.04 -2.21 0.09 0.00 -0.44 0.00 0.00 34.13 31.53 2rqe s GLU 37 CO 0.02 0.41 0.72 0.00 0.95 0.00 0.00 175.26 177.36 2rqe n MET 38 N -0.37 0.64 -4.72 -4.83 -0.00 -1.26 -5.09 117.12 101.49 2rqe n MET 38 Ca -0.09 -2.92 -0.33 0.00 -0.00 0.00 0.00 57.70 54.36 2rqe n MET 38 Cb 0.57 -0.18 -0.13 0.00 -0.00 0.00 0.00 33.22 33.48 2rqe n MET 38 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 175.97 174.76 2rqe s GLU 39 N -4.41 2.93 1.93 3.17 2.02 -1.26 -4.93 118.70 118.14 2rqe s GLU 39 Ca 0.54 -0.62 0.00 0.00 0.02 0.00 0.00 54.97 54.91 2rqe s GLU 39 Cb -0.04 -2.57 0.00 0.00 0.10 0.00 0.00 34.13 31.61 2rqe s GLU 39 CO 0.35 0.50 0.00 0.41 0.02 0.00 0.00 175.26 176.53 2rqe n GLY 40 N 2.70 0.25 3.09 -1.39 0.00 -1.26 -3.73 105.19 104.86 2rqe n GLY 40 Ca -0.18 0.60 0.02 0.00 0.00 0.00 0.00 46.02 46.46 2rqe n GLY 40 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2rqe s LEU 41 N 0.00 -1.20 0.36 0.99 0.05 -1.26 -5.05 118.68 112.58 2rqe s LEU 41 Ca 0.00 -0.50 0.03 0.00 0.05 0.00 0.00 54.13 53.72 2rqe s LEU 41 Cb 0.00 1.56 -0.04 0.00 -2.05 0.00 0.00 46.19 45.66 2rqe s LEU 41 CO 0.00 -0.15 0.09 -1.83 -0.55 0.00 0.00 176.35 173.92 2rqe s GLU 42 N 2.02 1.77 -0.65 1.48 -1.05 -1.24 -5.10 118.70 115.94 2rqe s GLU 42 Ca 0.16 -2.04 -0.24 0.00 -0.15 0.00 0.00 54.97 52.70 2rqe s GLU 42 Cb -0.03 -0.72 0.05 0.00 -0.44 0.00 0.00 34.13 33.00 2rqe s GLU 42 CO -0.11 -0.34 1.03 0.00 0.95 0.00 0.00 175.26 176.79 2rqe s ALA 43 N -3.29 3.04 0.00 -0.84 0.00 -1.26 -4.92 121.76 114.50 2rqe s ALA 43 Ca 0.30 -1.56 0.00 0.00 0.00 0.00 0.00 51.96 50.70 2rqe s ALA 43 Cb 0.06 -3.92 0.00 0.00 0.00 0.00 0.00 23.12 19.26 2rqe s ALA 43 CO 0.15 -2.78 0.00 0.41 0.00 0.00 0.00 175.76 173.53 2rqe n GLY 44 N 5.28 -3.07 0.28 0.00 0.00 -1.26 -4.95 105.19 101.46 2rqe n GLY 44 Ca -0.01 -0.30 -0.22 0.00 0.00 0.00 0.00 46.02 45.50 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 -1.23 1.61 -0.00 -1.18 -4.98 115.22 109.44 2rqe n HIS 45 Ca 0.00 0.00 -0.30 0.00 0.46 0.00 0.00 57.72 57.88 2rqe n HIS 45 Cb 0.00 -0.76 0.14 0.00 -0.12 0.00 0.00 29.99 29.25 2rqe n HIS 45 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 2rqe s TRP 46 N -2.48 2.34 -0.29 1.57 0.51 -0.73 -4.97 118.94 114.88 2rqe s TRP 46 Ca -0.31 1.22 -0.14 0.00 -2.12 0.00 0.00 56.10 54.76 2rqe s TRP 46 Cb 0.11 -3.17 0.13 0.00 -0.81 0.00 0.00 33.47 29.73 2rqe s TRP 46 CO 0.40 -2.39 0.82 -1.54 -0.51 0.00 0.00 176.95 173.73 2rqe s SER 47 N -3.47 -0.82 -0.21 2.95 1.04 -1.23 -4.20 113.70 107.77 2rqe s SER 47 Ca 0.63 1.19 -0.27 0.00 0.48 0.00 0.00 55.95 57.98 2rqe s SER 47 Cb -0.18 1.71 0.11 0.00 0.10 0.00 0.00 66.02 67.75 2rqe s SER 47 CO 0.57 -0.18 0.91 -0.60 0.98 0.00 0.00 173.24 174.92 2rqe s ARG 48 N 2.18 0.68 -0.30 4.02 6.06 -0.27 -4.98 118.95 126.34 2rqe s ARG 48 Ca -0.07 0.50 -0.03 0.00 -2.50 0.00 0.00 55.73 53.63 2rqe s ARG 48 Cb -0.07 0.33 0.10 0.00 0.06 0.00 0.00 34.95 35.37 2rqe s ARG 48 CO -0.18 -0.14 0.13 -0.51 -2.50 0.00 0.00 175.30 172.10 2rqe s ASP 49 N -0.33 3.54 -0.34 -2.12 1.01 -1.26 0.59 116.67 117.76 2rqe s ASP 49 Ca -0.01 -1.38 -0.23 0.00 0.71 0.00 0.00 52.55 51.65 2rqe s ASP 49 Cb -0.03 -0.39 0.00 0.00 1.01 0.00 0.00 42.92 43.51 2rqe s ASP 49 CO -0.00 -0.43 0.75 -0.63 0.21 0.00 0.00 175.17 175.07 2rqe s ILE 50 N 1.99 4.79 -0.47 0.77 -1.09 0.32 -4.91 121.20 122.59 2rqe s ILE 50 Ca 0.10 0.92 0.03 0.00 -2.23 0.00 0.00 60.65 59.47 2rqe s ILE 50 Cb -0.17 -4.16 0.56 0.00 -1.58 0.00 0.00 42.46 37.12 2rqe s ILE 50 CO -0.34 -0.35 1.82 0.35 -1.23 0.00 0.00 174.94 175.20 2rqe n THR 51 N 5.66 3.16 0.00 2.92 -2.24 -1.26 0.31 114.28 122.83 2rqe n THR 51 Ca 0.02 -2.52 0.00 0.00 -2.27 0.00 0.00 64.05 59.28 2rqe n THR 51 Cb 0.48 -0.68 0.00 0.00 -2.10 0.00 0.00 70.33 68.03 2rqe n THR 51 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 2rqe n LYS 52 N -1.05 0.00 -1.15 -0.78 4.81 -1.26 -4.85 118.16 113.87 2rqe n LYS 52 Ca 0.55 0.00 -0.29 0.00 -0.87 0.00 0.00 58.31 57.70 2rqe n LYS 52 Cb 1.22 0.00 0.19 0.00 0.02 0.00 0.00 35.03 36.46 2rqe n LYS 52 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 2rqe s PRO 53 N 0.00 0.08 0.00 1.64 0.04 -1.26 -4.98 135.00 130.51 2rqe s PRO 53 Ca 0.00 0.40 0.00 0.00 0.04 0.00 0.00 61.00 61.44 2rqe s PRO 53 Cb 0.00 -1.71 0.00 0.00 0.04 0.00 0.00 34.50 32.83 2rqe s PRO 53 CO 0.00 -2.94 0.93 0.36 0.04 0.00 0.00 177.00 175.38 2rqe n LYS 54 N -4.30 0.00 -1.48 4.56 0.00 -1.24 -4.88 118.16 110.82 2rqe n LYS 54 Ca 0.06 -0.88 -0.00 0.00 -0.00 0.00 0.00 58.31 57.48 2rqe n LYS 54 Cb 0.58 -0.45 0.01 0.00 -0.00 0.00 0.00 35.03 35.16 2rqe n LYS 54 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 2rqe n ASN 55 N 0.00 -0.17 0.00 -5.58 5.15 -1.26 -4.95 115.26 108.45 2rqe n ASN 55 Ca 0.00 -1.01 0.00 0.00 -0.60 0.00 0.00 54.58 52.97 2rqe n ASN 55 Cb 0.67 0.08 0.00 0.00 -0.53 0.00 0.00 39.78 40.00 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 -0.16 2.77 3.13 8.20 0.00 -1.26 -4.94 105.19 112.93 2rqe n GLY 56 Ca -0.02 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.92 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 0.00 0.71 -0.65 1.61 0.52 -1.26 -4.03 118.95 115.85 2rqe s ARG 57 Ca 0.00 -1.17 -0.24 0.00 -0.52 0.00 0.00 55.73 53.80 2rqe s ARG 57 Cb 0.00 0.25 0.05 0.00 0.52 0.00 0.00 34.95 35.78 2rqe s ARG 57 CO 0.00 -0.17 1.03 -1.58 0.02 0.00 0.00 175.30 174.60 2rqe s TRP 58 N -3.92 2.61 -0.03 -0.53 0.52 -0.90 -3.62 118.94 113.08 2rqe s TRP 58 Ca 0.08 -0.31 -0.01 0.00 0.02 0.00 0.00 56.10 55.88 2rqe s TRP 58 Cb 0.07 -4.32 -0.04 0.00 -1.15 0.00 0.00 33.47 28.03 2rqe s TRP 58 CO -0.09 -1.68 0.07 0.42 0.02 0.00 0.00 176.95 175.70 2rqe s ILE 59 N 4.42 4.74 0.05 2.03 1.01 -1.26 -0.84 121.20 131.34 2rqe s ILE 59 Ca 0.27 -0.31 0.04 0.00 0.00 0.00 0.00 60.65 60.65 2rqe s ILE 59 Cb -0.14 -3.13 -0.02 0.00 0.01 0.00 0.00 42.46 39.18 2rqe s ILE 59 CO 0.13 0.43 -0.12 0.12 0.00 0.00 0.00 174.94 175.51 2rqe s PHE 60 N -1.12 1.02 -0.04 3.97 5.36 -0.63 -4.94 117.98 121.61 2rqe s PHE 60 Ca 0.20 -0.41 -0.01 0.00 -0.96 0.00 0.00 56.93 55.75 2rqe s PHE 60 Cb -0.12 -0.60 0.03 0.00 -0.34 0.00 0.00 43.02 42.00 2rqe s PHE 60 CO 0.11 0.01 0.07 1.03 -1.46 0.00 0.00 175.22 174.97 2rqe s ARG 61 N -1.38 -0.02 0.56 10.12 3.00 -1.26 -1.40 118.95 128.56 2rqe s ARG 61 Ca -0.03 0.29 0.07 0.00 0.00 0.00 0.00 55.73 56.06 2rqe s ARG 61 Cb -0.09 -0.29 0.07 0.00 0.00 0.00 0.00 34.95 34.65 2rqe s ARG 61 CO 0.01 -0.21 0.61 -3.47 0.00 0.00 0.00 175.30 172.25 2rqe n ASP 62 N 4.48 2.37 -1.15 0.23 2.03 0.68 -4.94 116.55 120.26 2rqe n ASP 62 Ca -0.21 -2.67 -0.01 0.00 0.52 0.00 0.00 54.79 52.42 2rqe n ASP 62 Cb 0.50 -0.25 -0.02 0.00 -0.72 0.00 0.00 41.12 40.64 2rqe n ASP 62 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2rqe n ARG 63 N -2.03 0.00 -0.18 -0.67 1.74 -1.26 -3.60 116.66 110.67 2rqe n ARG 63 Ca 0.08 -1.39 0.00 0.00 -0.77 0.00 0.00 57.85 55.77 2rqe n ARG 63 Cb 0.60 0.14 0.00 0.00 -1.02 0.00 0.00 32.46 32.18 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 0.23 0.00 -4.24 0.55 0.23 -1.26 -4.60 115.26 106.17 2rqe n ASN 64 Ca -0.08 -1.27 -0.42 0.00 -0.53 0.00 0.00 54.58 52.28 2rqe n ASN 64 Cb 0.89 -0.05 -0.08 0.00 -2.08 0.00 0.00 39.78 38.46 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 0.00 3.46 -0.97 -2.53 0.00 -1.26 -4.86 121.76 115.59 2rqe s ALA 65 Ca 0.00 -2.53 -0.14 0.00 0.00 0.00 0.00 51.96 49.28 2rqe s ALA 65 Cb 0.00 -2.94 0.20 0.00 0.00 0.00 0.00 23.12 20.38 2rqe s ALA 65 CO 0.00 -1.93 1.04 0.00 0.00 0.00 0.00 175.76 174.87 2rqe s ALA 66 N 1.42 4.01 0.37 0.00 0.00 -1.26 -1.64 121.76 124.66 2rqe s ALA 66 Ca 0.05 -3.28 0.04 0.00 0.00 0.00 0.00 51.96 48.77 2rqe s ALA 66 Cb -0.27 -3.77 -0.06 0.00 0.00 0.00 0.00 23.12 19.02 2rqe s ALA 66 CO 0.00 -2.53 0.05 -0.48 0.00 0.00 0.00 175.76 172.80 2rqe s LEU 67 N 0.78 2.34 -0.17 0.00 2.34 -1.26 -4.96 118.68 117.76 2rqe s LEU 67 Ca 0.28 -1.43 -0.16 0.00 0.06 0.00 0.00 54.13 52.88 2rqe s LEU 67 Cb -0.07 -0.51 0.04 0.00 -0.56 0.00 0.00 46.19 45.09 2rqe s LEU 67 CO -0.08 -0.62 0.46 -1.59 -1.06 0.00 0.00 176.35 173.46 2rqe s LYS 68 N -3.83 0.55 -0.21 1.48 0.00 -1.26 -4.12 119.74 112.36 2rqe s LYS 68 Ca 0.32 0.61 -0.19 0.00 0.00 0.00 0.00 55.97 56.71 2rqe s LYS 68 Cb 0.08 0.27 -0.08 0.00 0.00 0.00 0.00 37.83 38.09 2rqe s LYS 68 CO 0.15 -0.07 0.70 -0.89 0.00 0.00 0.00 175.35 175.24 2rqe n ILE 69 N 2.75 0.00 0.00 3.79 2.08 -1.26 -2.31 119.36 124.41 2rqe n ILE 69 Ca -0.14 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.17 2rqe n ILE 69 Cb 0.57 -0.21 0.00 0.00 -0.75 0.00 0.00 39.64 39.25 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 1.92 1.56 0.00 7.39 0.00 -0.80 -5.03 105.19 110.24 2rqe n GLY 70 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 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 -0.49 -3.87 1.61 9.92 -0.98 -4.75 116.55 117.99 2rqe n ASP 71 Ca 0.00 -0.44 -0.11 0.00 -0.53 0.00 0.00 54.79 53.70 2rqe n ASP 71 Cb 0.00 0.00 -0.06 0.00 -0.64 0.00 0.00 41.12 40.42 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 -2.06 1.54 -0.03 -1.24 1.02 -1.26 -1.82 119.74 115.88 2rqe s LYS 72 Ca 0.00 -1.49 -0.07 0.00 0.02 0.00 0.00 55.97 54.43 2rqe s LYS 72 Cb 0.00 0.40 0.01 0.00 -0.52 0.00 0.00 37.83 37.72 2rqe s LYS 72 CO 0.00 -0.61 0.15 0.42 -0.92 0.00 0.00 175.35 174.40 2rqe s ILE 73 N -3.82 0.04 -0.29 2.17 1.01 0.90 -3.51 121.20 117.70 2rqe s ILE 73 Ca 0.29 -0.33 -0.00 0.00 0.00 0.00 0.00 60.65 60.62 2rqe s ILE 73 Cb 0.02 -0.33 0.14 0.00 0.01 0.00 0.00 42.46 42.29 2rqe s ILE 73 CO 0.13 -0.18 0.32 -0.31 0.00 0.00 0.00 174.94 174.90 2rqe s TYR 74 N -0.61 -0.59 0.00 3.97 2.02 -1.26 -0.09 117.35 120.80 2rqe s TYR 74 Ca -0.07 -0.02 0.00 0.00 -0.37 0.00 0.00 57.07 56.61 2rqe s TYR 74 Cb -0.04 -0.38 0.00 0.00 -0.40 0.00 0.00 41.96 41.14 2rqe s TYR 74 CO 0.01 -0.92 0.00 1.97 -1.57 0.00 0.00 175.55 175.04 2rqe n PHE 75 N 5.32 0.00 -3.68 2.71 -1.74 -1.26 -4.04 117.46 114.77 2rqe n PHE 75 Ca -0.02 0.00 -0.12 0.00 -0.56 0.00 0.00 57.45 56.76 2rqe n PHE 75 Cb 0.47 0.00 -0.06 0.00 1.52 0.00 0.00 39.48 41.41 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 -2.27 -0.20 0.48 2.97 -2.14 -1.25 -3.13 118.94 113.40 2rqe s TRP 76 Ca 0.00 0.03 0.04 0.00 2.66 0.00 0.00 56.10 58.83 2rqe s TRP 76 Cb 0.00 0.20 -0.03 0.00 -3.10 0.00 0.00 33.47 30.53 2rqe s TRP 76 CO 0.00 -0.60 0.05 0.95 -2.66 0.00 0.00 176.95 174.69 2rqe s THR 77 N -2.98 1.52 -0.11 0.66 -4.23 -1.25 -3.85 115.64 105.40 2rqe s THR 77 Ca -0.02 -1.94 -0.06 0.00 -1.18 0.00 0.00 61.69 58.49 2rqe s THR 77 Cb 0.00 -2.46 0.05 0.00 1.34 0.00 0.00 72.50 71.43 2rqe s THR 77 CO -0.06 0.00 0.26 0.12 -0.54 0.00 0.00 174.62 174.40 2rqe s PHE 78 N -2.80 -0.35 0.36 3.99 2.19 -1.23 -2.52 117.98 117.62 2rqe s PHE 78 Ca 0.19 0.82 0.05 0.00 0.33 0.00 0.00 56.93 58.32 2rqe s PHE 78 Cb 0.04 0.07 -0.02 0.00 -1.31 0.00 0.00 43.02 41.80 2rqe s PHE 78 CO 0.10 -0.24 0.18 1.33 1.83 0.00 0.00 175.22 178.43 2rqe n VAL 79 N 4.18 0.00 -3.28 3.12 0.24 -0.90 0.76 118.33 122.44 2rqe n VAL 79 Ca -0.25 -2.26 -0.08 0.00 -2.04 0.00 0.00 64.34 59.72 2rqe n VAL 79 Cb 0.53 0.93 -0.05 0.00 -1.47 0.00 0.00 33.84 33.78 2rqe n VAL 79 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 2rqe s ILE 80 N -3.10 -0.67 -0.09 1.34 1.01 -0.79 -2.60 121.20 116.30 2rqe s ILE 80 Ca 0.26 -0.35 0.01 0.00 0.00 0.00 0.00 60.65 60.58 2rqe s ILE 80 Cb 0.01 -0.81 -0.02 0.00 0.01 0.00 0.00 42.46 41.66 2rqe s ILE 80 CO 0.18 -0.27 -0.12 -0.75 0.00 0.00 0.00 174.94 173.99 2rqe s LYS 81 N 2.29 2.99 -1.06 2.79 2.20 -1.26 -0.03 119.74 127.66 2rqe s LYS 81 Ca 0.12 -0.65 0.00 0.00 -0.36 0.00 0.00 55.97 55.07 2rqe s LYS 81 Cb -0.11 -2.56 0.00 0.00 -1.51 0.00 0.00 37.83 33.65 2rqe s LYS 81 CO -0.22 0.44 0.00 -3.47 -0.36 0.00 0.00 175.35 171.74 2rqe n ASP 82 N 2.88 -3.26 -1.45 1.43 2.03 -1.26 0.33 116.55 117.25 2rqe n ASP 82 Ca -0.18 0.25 -0.13 0.00 0.52 0.00 0.00 54.79 55.26 2rqe n ASP 82 Cb 0.53 -2.94 -0.01 0.00 -0.72 0.00 0.00 41.12 37.98 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 -0.49 -0.15 0.02 0.27 0.00 -1.26 -4.95 105.19 98.62 2rqe n GLY 83 Ca -0.12 -0.35 -0.02 0.00 0.00 0.00 0.00 46.02 45.53 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 -1.82 0.58 0.00 0.99 4.77 0.15 -5.12 117.00 116.54 2rqe n LEU 84 Ca -0.15 0.31 0.00 0.00 -0.03 0.00 0.00 56.01 56.14 2rqe n LEU 84 Cb 0.61 -0.61 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 2rqe n LEU 84 CO 0.18 -0.48 0.00 0.61 -1.33 0.00 0.00 177.39 176.37 2rqe n GLY 85 N 1.65 1.37 3.42 -0.72 0.00 -1.26 -4.94 105.19 104.71 2rqe n GLY 85 Ca -0.03 -1.11 -0.21 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 1.89 -0.30 1.61 1.51 -1.07 -4.98 117.35 116.00 2rqe s TYR 86 Ca 0.00 -0.81 -0.02 0.00 -1.01 0.00 0.00 57.07 55.23 2rqe s TYR 86 Cb 0.00 -1.13 0.19 0.00 -0.11 0.00 0.00 41.96 40.90 2rqe s TYR 86 CO 0.00 0.14 0.61 0.50 -1.11 0.00 0.00 175.55 175.70 2rqe s ARG 87 N -3.80 0.56 0.85 -0.62 3.00 -1.26 -2.11 118.95 115.57 2rqe s ARG 87 Ca 0.31 1.02 -0.12 0.00 -1.00 0.00 0.00 55.73 55.95 2rqe s ARG 87 Cb 0.06 0.57 0.11 0.00 0.00 0.00 0.00 34.95 35.69 2rqe s ARG 87 CO 0.12 -0.58 1.18 -1.14 0.00 0.00 0.00 175.30 174.88 2rqe s GLN 88 N 2.86 1.38 0.00 5.12 2.00 -1.05 -4.85 119.66 125.12 2rqe s GLN 88 Ca 0.19 1.65 0.00 0.00 -2.00 0.00 0.00 55.36 55.19 2rqe s GLN 88 Cb -0.15 -1.76 0.00 0.00 0.80 0.00 0.00 33.01 31.90 2rqe s GLN 88 CO -0.21 -2.38 0.00 -0.25 -0.50 0.00 0.00 175.29 171.95 2rqe n ASP 89 N -3.72 0.00 0.00 6.67 8.00 -1.26 -3.96 116.55 122.28 2rqe n ASP 89 Ca 0.13 -0.91 0.00 0.00 0.71 0.00 0.00 54.79 54.72 2rqe n ASP 89 Cb 0.51 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.61 2rqe n ASP 89 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2rqe n ASN 90 N -2.12 0.00 -2.91 -2.24 5.03 -1.26 -4.68 115.26 107.08 2rqe n ASN 90 Ca 0.00 0.00 -0.27 0.00 0.87 0.00 0.00 54.58 55.18 2rqe n ASN 90 Cb 0.00 0.00 0.02 0.00 -1.02 0.00 0.00 39.78 38.78 2rqe n ASN 90 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2rqe n GLY 91 N -0.24 -0.02 3.15 7.41 0.00 -1.18 -4.89 105.19 109.42 2rqe n GLY 91 Ca 0.00 0.78 0.05 0.00 0.00 0.00 0.00 46.02 46.85 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 -2.11 0.40 -0.18 1.61 2.12 -1.06 -4.29 118.70 115.19 2rqe s GLU 92 Ca 0.24 0.52 -0.04 0.00 0.36 0.00 0.00 54.97 56.05 2rqe s GLU 92 Cb -0.02 0.27 0.09 0.00 0.26 0.00 0.00 34.13 34.72 2rqe s GLU 92 CO 0.64 -0.61 0.24 -1.58 -0.54 0.00 0.00 175.26 173.40 2rqe s TRP 93 N 2.89 -0.35 0.20 5.30 0.51 0.88 -4.94 118.94 123.43 2rqe s TRP 93 Ca 0.15 0.49 -0.28 0.00 -2.12 0.00 0.00 56.10 54.34 2rqe s TRP 93 Cb -0.09 -0.24 -0.08 0.00 -0.81 0.00 0.00 33.47 32.24 2rqe s TRP 93 CO -0.21 -0.53 0.86 0.99 -0.51 0.00 0.00 176.95 177.55 2rqe s THR 94 N 2.37 4.22 -0.42 2.01 2.01 -1.26 -0.07 115.64 124.49 2rqe s THR 94 Ca 0.06 1.89 -0.29 0.00 0.31 0.00 0.00 61.69 63.66 2rqe s THR 94 Cb -0.14 -4.23 0.02 0.00 0.01 0.00 0.00 72.50 68.16 2rqe s THR 94 CO -0.11 0.51 1.20 -0.69 -0.69 0.00 0.00 174.62 174.83 2rqe s VAL 95 N -1.17 4.19 -0.01 3.82 1.01 -0.76 -4.79 120.40 122.70 2rqe s VAL 95 Ca 0.38 1.26 0.01 0.00 0.00 0.00 0.00 61.98 63.63 2rqe s VAL 95 Cb -0.24 -4.46 0.01 0.00 0.00 0.00 0.00 36.38 31.69 2rqe s VAL 95 CO 0.29 -0.82 0.83 -0.62 0.00 0.00 0.00 175.10 174.78 2rqe n GLU 96 N 7.68 0.13 -3.71 2.72 1.02 -1.26 -1.90 120.64 125.32 2rqe n GLU 96 Ca 0.13 -0.91 -0.20 0.00 -0.02 0.00 0.00 57.16 56.17 2rqe n GLU 96 Cb 0.48 -0.55 -0.18 0.00 -0.02 0.00 0.00 31.44 31.17 2rqe n GLU 96 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 2rqe s GLY 97 N -0.74 0.23 0.60 0.62 0.00 -1.26 -5.06 107.32 101.71 2rqe s GLY 97 Ca 0.01 0.17 -0.01 0.00 0.00 0.00 0.00 44.72 44.89 2rqe s GLY 97 CO 0.00 1.24 0.85 -0.12 0.00 0.00 0.00 173.10 175.07 2rqe s PHE 98 N 1.96 2.86 -0.09 1.90 5.36 -1.26 0.26 117.98 128.97 2rqe s PHE 98 Ca 0.03 0.11 -0.30 0.00 -0.96 0.00 0.00 56.93 55.81 2rqe s PHE 98 Cb -0.12 -2.89 0.11 0.00 -0.34 0.00 0.00 43.02 39.79 2rqe s PHE 98 CO -0.03 -1.04 0.94 0.14 -1.46 0.00 0.00 175.22 173.77 2rqe s VAL 99 N -2.91 0.00 -0.15 3.12 -7.23 -1.08 -4.55 120.40 107.60 2rqe s VAL 99 Ca 0.58 0.00 -0.00 0.00 -1.81 0.00 0.00 61.98 60.75 2rqe s VAL 99 Cb -0.10 -1.00 -0.01 0.00 0.56 0.00 0.00 36.38 35.83 2rqe s VAL 99 CO 0.40 0.00 -0.14 1.51 -0.31 0.00 0.00 175.10 176.56 2rqe s ASP 100 N -1.80 3.84 -0.32 4.85 -4.77 -1.26 -3.78 116.67 113.42 2rqe s ASP 100 Ca 0.02 -0.40 -0.01 0.00 -3.30 0.00 0.00 52.55 48.85 2rqe s ASP 100 Cb -0.01 -1.59 0.23 0.00 -1.09 0.00 0.00 42.92 40.46 2rqe s ASP 100 CO -0.03 0.12 1.99 1.21 0.70 0.00 0.00 175.17 179.16 2rqe n GLU 101 N 3.84 1.82 0.00 2.11 2.13 -1.26 -5.08 120.64 124.20 2rqe n GLU 101 Ca -0.19 -1.61 0.00 0.00 0.66 0.00 0.00 57.16 56.03 2rqe n GLU 101 Cb 0.52 -1.63 0.00 0.00 0.27 0.00 0.00 31.44 30.60 2rqe n GLU 101 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72