#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 1.87 -1.69 2.98 1.02 -1.26 -5.00 120.64 118.56 2rqe n GLU 2 Ca 0.00 -4.21 0.00 0.00 -0.02 0.00 0.00 57.16 52.93 2rqe n GLU 2 Cb 0.00 -1.96 0.00 0.00 -0.02 0.00 0.00 31.44 29.46 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 1.21 -1.99 -1.19 0.62 0.00 -1.26 -4.12 120.51 113.78 2rqe n ALA 3 Ca 0.27 0.50 -0.29 0.00 0.00 0.00 0.00 53.44 53.91 2rqe n ALA 3 Cb 0.44 -1.49 0.15 0.00 0.00 0.00 0.00 19.45 18.55 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 -4.25 0.89 0.16 0.00 0.04 -1.26 -4.84 135.00 125.74 2rqe s PRO 4 Ca 0.00 0.69 -0.30 0.00 0.04 0.00 0.00 61.00 61.43 2rqe s PRO 4 Cb 0.00 -1.78 -0.08 0.00 0.04 0.00 0.00 34.50 32.68 2rqe s PRO 4 CO 0.00 -2.46 1.33 -1.25 0.04 0.00 0.00 177.00 174.66 2rqe s PRO 5 N -4.95 4.37 0.15 0.56 0.04 -1.26 -4.94 135.00 128.97 2rqe s PRO 5 Ca 0.64 2.04 -0.26 0.00 0.04 0.00 0.00 61.00 63.46 2rqe s PRO 5 Cb -0.18 -3.22 -0.07 0.00 0.04 0.00 0.00 34.50 31.06 2rqe s PRO 5 CO 0.57 -0.31 0.82 0.00 0.04 0.00 0.00 177.00 178.12 2rqe s ALA 6 N 0.50 3.39 -1.16 8.56 0.00 -1.26 -4.62 121.76 127.17 2rqe s ALA 6 Ca 0.59 0.41 -0.10 0.00 0.00 0.00 0.00 51.96 52.86 2rqe s ALA 6 Cb -0.36 -3.04 0.24 0.00 0.00 0.00 0.00 23.12 19.95 2rqe s ALA 6 CO 0.35 0.20 1.33 2.41 0.00 0.00 0.00 175.76 180.05 2rqe n THR 7 N 1.97 4.54 -2.56 0.00 -1.04 0.12 -4.97 114.28 112.33 2rqe n THR 7 Ca -0.04 -5.15 -0.43 0.00 -2.04 0.00 0.00 64.05 56.40 2rqe n THR 7 Cb 0.49 -2.47 -0.02 0.00 -1.82 0.00 0.00 70.33 66.51 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 -0.40 3.59 0.00 -4.42 1.02 -1.26 -2.68 118.68 114.53 2rqe s LEU 8 Ca 0.36 0.45 -0.03 0.00 0.02 0.00 0.00 54.13 54.92 2rqe s LEU 8 Cb -0.04 -3.48 0.04 0.00 0.02 0.00 0.00 46.19 42.73 2rqe s LEU 8 CO -0.02 -1.33 0.24 -0.62 0.02 0.00 0.00 176.35 174.65 2rqe n GLU 9 N 7.99 -0.24 -3.64 1.70 -0.58 0.61 -4.74 120.64 121.74 2rqe n GLU 9 Ca 0.12 -0.38 -0.28 0.00 -0.42 0.00 0.00 57.16 56.21 2rqe n GLU 9 Cb 0.49 -0.25 -0.11 0.00 -0.57 0.00 0.00 31.44 31.00 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 -3.99 2.49 1.01 0.62 0.00 -1.24 -4.46 121.76 116.19 2rqe s ALA 10 Ca 0.14 -3.05 -0.14 0.00 0.00 0.00 0.00 51.96 48.91 2rqe s ALA 10 Cb -0.00 -1.87 0.20 0.00 0.00 0.00 0.00 23.12 21.45 2rqe s ALA 10 CO 0.10 -2.04 1.13 0.42 0.00 0.00 0.00 175.76 175.37 2rqe s ILE 11 N -0.54 1.91 1.16 0.00 -1.09 -1.26 -2.51 121.20 118.87 2rqe s ILE 11 Ca 0.28 0.00 -0.17 0.00 -2.23 0.00 0.00 60.65 58.52 2rqe s ILE 11 Cb -0.03 -2.63 0.19 0.00 -1.58 0.00 0.00 42.46 38.41 2rqe s ILE 11 CO -0.16 0.00 0.35 1.41 -1.23 0.00 0.00 174.94 175.31 2rqe n HIS 12 N -4.13 -1.77 0.49 3.97 8.25 -1.26 -4.64 115.22 116.14 2rqe n HIS 12 Ca 0.08 -0.05 0.00 0.00 -0.26 0.00 0.00 57.72 57.49 2rqe n HIS 12 Cb 0.59 -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 -3.09 0.49 -0.17 -0.41 -0.04 -1.26 -2.27 135.00 128.25 2rqe n PRO 13 Ca 0.03 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.56 2rqe n PRO 13 Cb 0.57 -1.24 0.11 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 0.25 0.99 -3.24 0.54 2.85 -1.25 -4.17 118.16 114.12 2rqe n LYS 14 Ca 0.00 -2.21 0.00 0.00 -1.05 0.00 0.00 58.31 55.05 2rqe n LYS 14 Cb 0.12 -1.26 0.00 0.00 -0.65 0.00 0.00 35.03 33.24 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 -1.10 -1.88 3.53 2.58 0.00 -0.42 -4.02 105.19 103.88 2rqe n GLY 15 Ca 0.12 -1.42 -0.09 0.00 0.00 0.00 0.00 46.02 44.62 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 0.43 -0.01 0.99 2.96 -1.18 -4.09 118.68 117.78 2rqe s LEU 16 Ca 0.00 -0.91 0.03 0.00 -0.22 0.00 0.00 54.13 53.02 2rqe s LEU 16 Cb 0.00 1.64 -0.01 0.00 0.50 0.00 0.00 46.19 48.33 2rqe s LEU 16 CO 0.00 -1.09 -0.09 -0.60 -1.32 0.00 0.00 176.35 173.25 2rqe s ARG 17 N -4.01 0.76 -0.23 1.98 3.52 -1.26 -0.12 118.95 119.59 2rqe s ARG 17 Ca 0.22 -0.32 -0.03 0.00 -0.13 0.00 0.00 55.73 55.47 2rqe s ARG 17 Cb 0.00 -0.74 0.12 0.00 -1.56 0.00 0.00 34.95 32.77 2rqe s ARG 17 CO 0.07 0.18 0.29 0.08 -0.81 0.00 0.00 175.30 175.12 2rqe s VAL 18 N -0.16 -0.44 0.24 7.11 1.01 -0.70 -0.28 120.40 127.18 2rqe s VAL 18 Ca 0.03 -0.16 0.12 0.00 0.00 0.00 0.00 61.98 61.96 2rqe s VAL 18 Cb -0.04 -0.78 -0.05 0.00 0.00 0.00 0.00 36.38 35.51 2rqe s VAL 18 CO -0.00 -0.22 -0.20 -0.55 0.00 0.00 0.00 175.10 174.13 2rqe s SER 19 N 2.42 3.59 0.02 3.32 0.15 -1.09 -1.86 113.70 120.25 2rqe s SER 19 Ca 0.09 -0.93 -0.03 0.00 0.70 0.00 0.00 55.95 55.79 2rqe s SER 19 Cb -0.15 -0.32 -0.02 0.00 -1.71 0.00 0.00 66.02 63.82 2rqe s SER 19 CO -0.17 0.07 0.03 0.68 1.20 0.00 0.00 173.24 175.05 2rqe s VAL 20 N -2.13 0.12 -0.05 4.45 -7.23 -0.53 0.16 120.40 115.20 2rqe s VAL 20 Ca 0.26 -0.97 -0.30 0.00 -1.81 0.00 0.00 61.98 59.16 2rqe s VAL 20 Cb -0.06 -0.50 -0.05 0.00 0.56 0.00 0.00 36.38 36.32 2rqe s VAL 20 CO 0.13 -0.53 1.49 -2.16 -0.31 0.00 0.00 175.10 173.71 2rqe s PRO 21 N -1.83 4.23 -1.09 4.82 0.04 -1.26 -2.12 135.00 137.79 2rqe s PRO 21 Ca -0.12 2.01 -0.19 0.00 0.04 0.00 0.00 61.00 62.74 2rqe s PRO 21 Cb -0.07 -3.77 0.10 0.00 0.04 0.00 0.00 34.50 30.81 2rqe s PRO 21 CO -0.02 -0.71 1.41 0.34 0.04 0.00 0.00 177.00 178.06 2rqe s ASP 22 N 2.48 6.71 0.00 6.66 2.15 -1.26 -4.79 116.67 128.62 2rqe s ASP 22 Ca 0.66 -2.11 0.16 0.00 0.43 0.00 0.00 52.55 51.68 2rqe s ASP 22 Cb -0.31 -2.49 0.93 0.00 -0.30 0.00 0.00 42.92 40.76 2rqe s ASP 22 CO 0.26 -1.17 1.38 1.21 -0.17 0.00 0.00 175.17 176.68 2rqe n GLU 23 N 7.51 0.65 0.00 4.34 2.13 -1.26 -4.60 120.64 129.41 2rqe n GLU 23 Ca 0.34 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.16 2rqe n GLU 23 Cb 0.48 -1.37 0.00 0.00 0.27 0.00 0.00 31.44 30.81 2rqe n GLU 23 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2rqe n GLY 24 N 0.27 0.87 3.70 8.31 0.00 -1.26 -5.12 105.19 111.96 2rqe n GLY 24 Ca 0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.87 2.21 0.00 1.61 0.08 -1.26 -4.33 117.98 115.42 2rqe s PHE 25 Ca 0.00 1.04 0.00 0.00 0.12 0.00 0.00 56.93 58.09 2rqe s PHE 25 Cb 0.00 -3.25 0.00 0.00 -0.57 0.00 0.00 43.02 39.20 2rqe s PHE 25 CO 0.00 -2.70 0.00 0.45 -0.10 0.00 0.00 175.22 172.87 2rqe n SER 26 N -4.05 2.20 -3.65 1.36 2.88 0.15 -4.91 113.62 107.60 2rqe n SER 26 Ca 0.06 -0.14 -0.14 0.00 -1.33 0.00 0.00 58.87 57.31 2rqe n SER 26 Cb 0.57 0.73 -0.08 0.00 -0.75 0.00 0.00 64.21 64.68 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 -1.90 -0.52 0.07 2.46 1.98 -1.22 -4.56 118.68 114.99 2rqe s LEU 27 Ca 0.00 1.32 0.04 0.00 -2.89 0.00 0.00 54.13 52.60 2rqe s LEU 27 Cb 0.00 2.27 -0.03 0.00 0.66 0.00 0.00 46.19 49.09 2rqe s LEU 27 CO 0.00 -0.23 -0.11 0.12 -1.89 0.00 0.00 176.35 174.23 2rqe s PHE 28 N 0.33 1.03 0.05 5.38 5.36 0.55 -1.81 117.98 128.86 2rqe s PHE 28 Ca -0.00 -0.52 0.00 0.00 -0.96 0.00 0.00 56.93 55.45 2rqe s PHE 28 Cb -0.05 -0.58 -0.03 0.00 -0.34 0.00 0.00 43.02 42.02 2rqe s PHE 28 CO 0.01 0.00 -0.04 0.00 -1.46 0.00 0.00 175.22 173.73 2rqe s ALA 29 N -1.63 0.47 -0.06 11.12 0.00 -0.53 0.10 121.76 131.23 2rqe s ALA 29 Ca -0.02 -0.97 0.03 0.00 0.00 0.00 0.00 51.96 50.99 2rqe s ALA 29 Cb -0.08 0.18 0.01 0.00 0.00 0.00 0.00 23.12 23.23 2rqe s ALA 29 CO 0.01 -0.23 -0.12 -0.06 0.00 0.00 0.00 175.76 175.36 2rqe s PHE 30 N -2.73 1.42 -0.46 0.00 0.40 0.22 -3.45 117.98 113.39 2rqe s PHE 30 Ca -0.02 -0.49 0.07 0.00 -0.60 0.00 0.00 56.93 55.89 2rqe s PHE 30 Cb -0.01 -1.03 0.18 0.00 0.51 0.00 0.00 43.02 42.68 2rqe s PHE 30 CO -0.05 -0.24 0.63 -1.01 0.70 0.00 0.00 175.22 175.25 2rqe s HIS 31 N 0.54 -1.38 0.32 0.36 3.76 -1.26 -2.00 115.29 115.63 2rqe s HIS 31 Ca -0.12 -0.37 0.01 0.00 -0.15 0.00 0.00 55.06 54.43 2rqe s HIS 31 Cb -0.14 0.18 -0.01 0.00 1.11 0.00 0.00 32.58 33.71 2rqe s HIS 31 CO 0.03 -1.18 0.37 0.20 -0.85 0.00 0.00 174.74 173.31 2rqe s GLY 32 N 1.26 1.74 0.00 -2.22 0.00 -1.25 -3.71 107.32 103.14 2rqe s GLY 32 Ca 0.23 -1.71 0.00 0.00 0.00 0.00 0.00 44.72 43.25 2rqe s GLY 32 CO -0.06 -1.19 0.00 0.28 0.00 0.00 0.00 173.10 172.13 2rqe n LYS 33 N -0.55 0.52 -4.34 2.90 5.02 -1.26 -1.15 118.16 119.31 2rqe n LYS 33 Ca 0.03 0.00 -0.22 0.00 -2.02 0.00 0.00 58.31 56.10 2rqe n LYS 33 Cb 0.62 0.00 -0.13 0.00 -0.02 0.00 0.00 35.03 35.50 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 2.24 -0.33 -0.35 2.96 -1.26 -4.03 118.68 117.91 2rqe s LEU 34 Ca 0.00 -0.59 0.00 0.00 -0.22 0.00 0.00 54.13 53.32 2rqe s LEU 34 Cb 0.00 -0.75 0.00 0.00 0.50 0.00 0.00 46.19 45.94 2rqe s LEU 34 CO 0.00 0.04 0.00 0.59 -1.32 0.00 0.00 176.35 175.66 2rqe n ASN 35 N 1.45 -1.15 -3.61 3.68 5.03 -1.04 -4.81 115.26 114.81 2rqe n ASN 35 Ca -0.19 0.18 -0.16 0.00 0.87 0.00 0.00 54.58 55.29 2rqe n ASN 35 Cb 0.54 -1.32 -0.07 0.00 -1.02 0.00 0.00 39.78 37.91 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 -3.11 0.87 0.11 3.52 2.56 -1.26 -5.09 118.70 116.30 2rqe s GLU 36 Ca 0.00 0.48 0.08 0.00 0.00 0.00 0.00 54.97 55.53 2rqe s GLU 36 Cb 0.00 0.41 -0.04 0.00 2.00 0.00 0.00 34.13 36.51 2rqe s GLU 36 CO 0.00 -0.20 -0.21 -1.83 -0.56 0.00 0.00 175.26 172.46 2rqe s GLU 37 N -0.53 1.13 0.15 4.30 -1.05 -1.26 -4.07 118.70 117.37 2rqe s GLU 37 Ca -0.06 -1.18 0.02 0.00 -0.15 0.00 0.00 54.97 53.60 2rqe s GLU 37 Cb -0.03 -1.38 0.02 0.00 -0.44 0.00 0.00 34.13 32.30 2rqe s GLU 37 CO 0.05 0.32 0.18 0.00 0.95 0.00 0.00 175.26 176.76 2rqe n MET 38 N 1.02 1.00 -4.22 -4.83 0.00 -1.26 -5.09 117.12 103.74 2rqe n MET 38 Ca -0.19 -0.84 -0.14 0.00 0.00 0.00 0.00 57.70 56.53 2rqe n MET 38 Cb 0.54 -0.02 -0.09 0.00 0.00 0.00 0.00 33.22 33.64 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 -2.66 1.35 -1.40 3.17 2.56 -1.26 -4.87 118.70 115.59 2rqe s GLU 39 Ca 0.14 -1.74 -0.13 0.00 0.00 0.00 0.00 54.97 53.25 2rqe s GLU 39 Cb -0.01 0.28 0.10 0.00 2.00 0.00 0.00 34.13 36.50 2rqe s GLU 39 CO 0.09 -0.46 0.59 0.41 -0.56 0.00 0.00 175.26 175.33 2rqe n GLY 40 N -0.37 -0.47 2.76 -1.50 0.00 -1.26 -3.17 105.19 101.18 2rqe n GLY 40 Ca 0.03 0.10 -0.19 0.00 0.00 0.00 0.00 46.02 45.97 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 -3.94 -2.15 0.00 0.99 4.77 -1.26 -4.98 117.00 110.44 2rqe n LEU 41 Ca 0.02 0.03 0.00 0.00 -0.03 0.00 0.00 56.01 56.03 2rqe n LEU 41 Cb 0.52 -1.19 0.00 0.00 -2.33 0.00 0.00 43.42 40.42 2rqe n LEU 41 CO 0.62 -0.37 0.00 -1.84 -1.33 0.00 0.00 177.39 174.47 2rqe n GLU 42 N 0.30 2.38 -3.40 3.23 0.28 -1.19 -5.10 120.64 117.14 2rqe n GLU 42 Ca -0.04 0.00 -0.44 0.00 -0.16 0.00 0.00 57.16 56.52 2rqe n GLU 42 Cb 0.47 0.00 -0.06 0.00 1.43 0.00 0.00 31.44 33.27 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 3.55 0.00 -1.84 0.00 -1.26 -4.87 121.76 115.34 2rqe s ALA 43 Ca 0.00 -2.54 0.00 0.00 0.00 0.00 0.00 51.96 49.42 2rqe s ALA 43 Cb 0.00 -3.10 0.00 0.00 0.00 0.00 0.00 23.12 20.02 2rqe s ALA 43 CO 0.00 -1.98 0.00 0.41 0.00 0.00 0.00 175.76 174.19 2rqe n GLY 44 N 5.12 -2.32 0.04 0.00 0.00 -1.26 -4.93 105.19 101.84 2rqe n GLY 44 Ca -0.12 -0.11 -0.04 0.00 0.00 0.00 0.00 46.02 45.75 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 0.06 -1.22 1.61 -0.00 -0.86 -4.91 115.22 109.90 2rqe n HIS 45 Ca 0.00 0.03 -0.34 0.00 0.46 0.00 0.00 57.72 57.87 2rqe n HIS 45 Cb 0.00 -0.26 0.12 0.00 -0.12 0.00 0.00 29.99 29.72 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 -1.82 1.82 -0.29 1.57 0.51 -0.30 -4.89 118.94 115.54 2rqe s TRP 46 Ca -0.12 1.64 -0.01 0.00 -2.12 0.00 0.00 56.10 55.49 2rqe s TRP 46 Cb 0.02 -3.54 0.18 0.00 -0.81 0.00 0.00 33.47 29.31 2rqe s TRP 46 CO 0.18 -2.92 0.55 -1.54 -0.51 0.00 0.00 176.95 172.71 2rqe s SER 47 N -1.99 -1.03 0.16 2.95 1.04 -1.24 -3.89 113.70 109.71 2rqe s SER 47 Ca 0.75 0.68 -0.15 0.00 0.48 0.00 0.00 55.95 57.71 2rqe s SER 47 Cb -0.31 1.92 0.02 0.00 0.10 0.00 0.00 66.02 67.75 2rqe s SER 47 CO 0.49 -0.27 0.41 -0.60 0.98 0.00 0.00 173.24 174.24 2rqe s ARG 48 N 2.79 1.19 -0.15 4.02 3.00 -0.85 -4.98 118.95 123.96 2rqe s ARG 48 Ca 0.18 -0.88 -0.04 0.00 -1.00 0.00 0.00 55.73 53.99 2rqe s ARG 48 Cb -0.15 0.46 0.07 0.00 0.00 0.00 0.00 34.95 35.33 2rqe s ARG 48 CO -0.20 -0.47 0.18 -0.51 0.00 0.00 0.00 175.30 174.29 2rqe s ASP 49 N -2.87 1.31 -0.49 -2.12 1.01 -1.26 -0.61 116.67 111.64 2rqe s ASP 49 Ca 0.08 -0.08 -0.16 0.00 0.71 0.00 0.00 52.55 53.11 2rqe s ASP 49 Cb 0.01 0.24 0.09 0.00 1.01 0.00 0.00 42.92 44.27 2rqe s ASP 49 CO -0.06 -0.30 0.43 -0.63 0.21 0.00 0.00 175.17 174.82 2rqe s ILE 50 N 2.28 5.22 -0.37 0.77 -1.09 0.28 -4.92 121.20 123.37 2rqe s ILE 50 Ca 0.05 -1.16 0.03 0.00 -2.23 0.00 0.00 60.65 57.34 2rqe s ILE 50 Cb -0.14 -4.18 0.53 0.00 -1.58 0.00 0.00 42.46 37.08 2rqe s ILE 50 CO -0.09 -0.66 1.75 0.35 -1.23 0.00 0.00 174.94 175.06 2rqe n THR 51 N 5.22 2.80 0.00 2.92 -2.24 -1.26 -0.33 114.28 121.39 2rqe n THR 51 Ca -0.13 -1.58 0.00 0.00 -2.27 0.00 0.00 64.05 60.07 2rqe n THR 51 Cb 0.43 -0.61 0.00 0.00 -2.10 0.00 0.00 70.33 68.05 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 -0.81 0.00 -1.08 -0.78 5.02 -1.26 -4.87 118.16 114.38 2rqe n LYS 52 Ca 0.48 0.00 -0.30 0.00 -2.02 0.00 0.00 58.31 56.47 2rqe n LYS 52 Cb 1.41 0.00 0.25 0.00 -0.02 0.00 0.00 35.03 36.66 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 -0.28 -1.40 0.00 1.97 0.04 -1.26 -4.96 135.00 129.11 2rqe s PRO 53 Ca 0.00 -0.13 0.00 0.00 0.04 0.00 0.00 61.00 60.91 2rqe s PRO 53 Cb 0.00 -1.58 0.00 0.00 0.04 0.00 0.00 34.50 32.96 2rqe s PRO 53 CO 0.00 -3.81 0.00 0.36 0.04 0.00 0.00 177.00 173.59 2rqe n LYS 54 N -4.82 2.01 -2.70 4.56 2.85 -1.20 -4.90 118.16 113.97 2rqe n LYS 54 Ca 0.14 0.00 -0.07 0.00 -1.05 0.00 0.00 58.31 57.34 2rqe n LYS 54 Cb 0.60 -0.76 0.06 0.00 -0.65 0.00 0.00 35.03 34.28 2rqe n LYS 54 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 2rqe n ASN 55 N -1.32 0.44 0.00 -5.58 3.02 -1.26 -4.95 115.26 105.62 2rqe n ASN 55 Ca 0.00 -2.50 0.00 0.00 -0.03 0.00 0.00 54.58 52.05 2rqe n ASN 55 Cb 0.26 -0.06 0.00 0.00 -0.61 0.00 0.00 39.78 39.37 2rqe n ASN 55 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2rqe n GLY 56 N -0.39 2.87 3.40 7.41 0.00 -1.26 -4.97 105.19 112.25 2rqe n GLY 56 Ca 0.04 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.13 1.48 -0.78 1.61 3.00 -1.26 -4.24 118.95 118.64 2rqe s ARG 57 Ca 0.00 -1.74 -0.22 0.00 0.00 0.00 0.00 55.73 53.77 2rqe s ARG 57 Cb 0.00 -1.04 0.08 0.00 0.00 0.00 0.00 34.95 33.99 2rqe s ARG 57 CO 0.00 0.03 1.08 -1.58 0.00 0.00 0.00 175.30 174.82 2rqe s TRP 58 N -3.09 2.76 -0.07 -0.53 0.52 -0.90 -3.23 118.94 114.40 2rqe s TRP 58 Ca 0.28 -0.78 -0.04 0.00 0.02 0.00 0.00 56.10 55.58 2rqe s TRP 58 Cb 0.04 -4.35 -0.04 0.00 -1.15 0.00 0.00 33.47 27.97 2rqe s TRP 58 CO 0.11 -1.66 0.10 0.42 0.02 0.00 0.00 176.95 175.93 2rqe s ILE 59 N 3.87 5.02 0.07 2.03 1.01 -1.26 -1.45 121.20 130.50 2rqe s ILE 59 Ca 0.28 -0.10 0.03 0.00 0.00 0.00 0.00 60.65 60.86 2rqe s ILE 59 Cb -0.11 -3.21 -0.03 0.00 0.01 0.00 0.00 42.46 39.11 2rqe s ILE 59 CO 0.03 0.52 -0.08 0.12 0.00 0.00 0.00 174.94 175.52 2rqe s PHE 60 N -1.07 0.86 -0.06 3.97 5.36 -0.78 -4.94 117.98 121.32 2rqe s PHE 60 Ca 0.18 -0.66 -0.04 0.00 -0.96 0.00 0.00 56.93 55.45 2rqe s PHE 60 Cb -0.12 -0.49 0.03 0.00 -0.34 0.00 0.00 43.02 42.09 2rqe s PHE 60 CO 0.08 -0.08 0.14 1.03 -1.46 0.00 0.00 175.22 174.93 2rqe s ARG 61 N -2.55 0.13 0.49 10.12 3.00 -1.26 -1.72 118.95 127.16 2rqe s ARG 61 Ca 0.01 0.28 0.06 0.00 0.00 0.00 0.00 55.73 56.07 2rqe s ARG 61 Cb -0.04 -0.04 -0.00 0.00 0.00 0.00 0.00 34.95 34.87 2rqe s ARG 61 CO -0.01 -0.09 0.27 0.34 0.00 0.00 0.00 175.30 175.82 2rqe s ASP 62 N 0.58 4.54 -0.00 0.23 2.15 0.83 -4.94 116.67 120.07 2rqe s ASP 62 Ca -0.04 -1.20 0.00 0.00 0.43 0.00 0.00 52.55 51.74 2rqe s ASP 62 Cb -0.06 0.05 0.00 0.00 -0.30 0.00 0.00 42.92 42.62 2rqe s ASP 62 CO -0.03 -0.85 0.78 -2.11 -0.17 0.00 0.00 175.17 172.80 2rqe n ARG 63 N -1.51 0.06 0.00 4.34 1.85 -1.26 -3.11 116.66 117.03 2rqe n ARG 63 Ca -0.03 -0.81 0.00 0.00 -1.00 0.00 0.00 57.85 56.01 2rqe n ARG 63 Cb 0.64 -0.52 0.00 0.00 -1.05 0.00 0.00 32.46 31.53 2rqe n ARG 63 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 2rqe n ASN 64 N -0.03 0.79 -4.41 2.89 3.02 -1.26 -4.39 115.26 111.88 2rqe n ASN 64 Ca 0.00 -1.26 -0.44 0.00 -0.03 0.00 0.00 54.58 52.85 2rqe n ASN 64 Cb 0.60 0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.74 2rqe n ASN 64 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2rqe s ALA 65 N -0.26 3.34 -0.94 5.41 0.00 -1.26 -4.83 121.76 123.23 2rqe s ALA 65 Ca 0.00 -2.24 -0.14 0.00 0.00 0.00 0.00 51.96 49.58 2rqe s ALA 65 Cb 0.00 -3.71 0.20 0.00 0.00 0.00 0.00 23.12 19.62 2rqe s ALA 65 CO 0.00 -2.57 0.97 0.00 0.00 0.00 0.00 175.76 174.16 2rqe s ALA 66 N 3.00 4.01 0.23 0.00 0.00 -1.26 -1.30 121.76 126.44 2rqe s ALA 66 Ca 0.18 -3.28 0.00 0.00 0.00 0.00 0.00 51.96 48.87 2rqe s ALA 66 Cb -0.19 -3.71 -0.04 0.00 0.00 0.00 0.00 23.12 19.18 2rqe s ALA 66 CO 0.05 -2.49 0.14 -0.48 0.00 0.00 0.00 175.76 172.98 2rqe s LEU 67 N 0.68 1.32 0.08 0.00 -0.00 -1.26 -4.95 118.68 114.55 2rqe s LEU 67 Ca 0.26 -1.44 -0.23 0.00 -0.00 0.00 0.00 54.13 52.73 2rqe s LEU 67 Cb -0.08 0.32 0.06 0.00 -0.00 0.00 0.00 46.19 46.49 2rqe s LEU 67 CO -0.08 -0.85 0.55 -1.59 -0.00 0.00 0.00 176.35 174.38 2rqe s LYS 68 N -4.05 1.13 -0.30 1.48 0.00 -1.26 -4.06 119.74 112.67 2rqe s LYS 68 Ca 0.39 -0.31 -0.28 0.00 0.00 0.00 0.00 55.97 55.77 2rqe s LYS 68 Cb 0.07 0.52 -0.12 0.00 0.00 0.00 0.00 37.83 38.29 2rqe s LYS 68 CO 0.14 -0.44 0.99 -0.89 0.00 0.00 0.00 175.35 175.16 2rqe n ILE 69 N 0.13 0.00 0.00 3.79 2.08 -1.26 -1.86 119.36 122.24 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 0.62 -0.30 0.00 0.00 -0.75 0.00 0.00 39.64 39.21 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 2.61 1.49 0.17 7.39 0.00 -1.14 -5.07 105.19 110.64 2rqe n GLY 70 Ca 0.20 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.21 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 -0.64 -3.87 1.61 9.92 -0.77 -4.81 116.55 117.99 2rqe n ASP 71 Ca 0.00 -0.72 -0.09 0.00 -0.53 0.00 0.00 54.79 53.45 2rqe n ASP 71 Cb 0.00 -0.05 -0.07 0.00 -0.64 0.00 0.00 41.12 40.37 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 -3.12 0.99 0.02 -1.24 3.01 -1.26 -1.94 119.74 116.20 2rqe s LYS 72 Ca 0.03 -1.02 0.02 0.00 -1.01 0.00 0.00 55.97 53.99 2rqe s LYS 72 Cb -0.00 0.37 -0.01 0.00 -1.01 0.00 0.00 37.83 37.17 2rqe s LYS 72 CO 0.02 -0.34 -0.06 0.42 0.51 0.00 0.00 175.35 175.90 2rqe s ILE 73 N -3.90 0.39 -0.21 2.17 1.01 0.21 -2.48 121.20 118.39 2rqe s ILE 73 Ca 0.09 -0.69 -0.04 0.00 0.00 0.00 0.00 60.65 60.02 2rqe s ILE 73 Cb 0.04 -0.43 0.11 0.00 0.01 0.00 0.00 42.46 42.19 2rqe s ILE 73 CO -0.07 -0.20 0.30 -0.31 0.00 0.00 0.00 174.94 174.66 2rqe s TYR 74 N -0.86 -0.56 0.00 3.97 1.51 -1.26 0.21 117.35 120.36 2rqe s TYR 74 Ca -0.06 0.63 0.00 0.00 -1.01 0.00 0.00 57.07 56.63 2rqe s TYR 74 Cb -0.07 -0.13 0.00 0.00 -0.11 0.00 0.00 41.96 41.66 2rqe s TYR 74 CO -0.00 -0.63 0.00 1.97 -1.11 0.00 0.00 175.55 175.78 2rqe n PHE 75 N 5.35 -0.14 -3.71 2.71 -1.74 -1.26 -3.98 117.46 114.69 2rqe n PHE 75 Ca -0.05 0.00 -0.14 0.00 -0.56 0.00 0.00 57.45 56.70 2rqe n PHE 75 Cb 0.50 0.00 -0.09 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 -3.23 -0.38 0.28 2.97 -2.14 -1.24 -3.31 118.94 111.88 2rqe s TRP 76 Ca 0.00 0.79 0.09 0.00 2.66 0.00 0.00 56.10 59.64 2rqe s TRP 76 Cb 0.00 0.17 -0.04 0.00 -3.10 0.00 0.00 33.47 30.50 2rqe s TRP 76 CO 0.00 -0.35 0.01 0.95 -2.66 0.00 0.00 176.95 174.90 2rqe s THR 77 N -0.62 3.27 0.05 0.66 -4.23 -1.26 -4.05 115.64 109.46 2rqe s THR 77 Ca -0.07 -1.91 0.09 0.00 -1.18 0.00 0.00 61.69 58.61 2rqe s THR 77 Cb -0.04 -2.83 -0.03 0.00 1.34 0.00 0.00 72.50 70.94 2rqe s THR 77 CO 0.03 -0.34 -0.25 0.12 -0.54 0.00 0.00 174.62 173.65 2rqe s PHE 78 N -2.36 2.37 0.15 3.99 5.36 -1.22 -0.34 117.98 125.92 2rqe s PHE 78 Ca 0.32 -0.38 -0.01 0.00 -0.96 0.00 0.00 56.93 55.91 2rqe s PHE 78 Cb -0.05 -1.40 -0.04 0.00 -0.34 0.00 0.00 43.02 41.19 2rqe s PHE 78 CO 0.20 0.16 0.06 0.14 -1.46 0.00 0.00 175.22 174.33 2rqe s VAL 79 N -0.84 0.17 -0.31 3.12 -7.23 -0.21 -1.46 120.40 113.63 2rqe s VAL 79 Ca 0.12 -1.94 -0.01 0.00 -1.81 0.00 0.00 61.98 58.35 2rqe s VAL 79 Cb -0.10 -2.14 0.13 0.00 0.56 0.00 0.00 36.38 34.82 2rqe s VAL 79 CO 0.03 -0.38 0.23 -0.63 -0.31 0.00 0.00 175.10 174.04 2rqe s ILE 80 N -4.01 -0.17 0.07 -0.62 1.01 -0.75 -0.81 121.20 115.93 2rqe s ILE 80 Ca 0.27 -0.90 0.09 0.00 0.00 0.00 0.00 60.65 60.11 2rqe s ILE 80 Cb 0.07 -0.97 -0.03 0.00 0.01 0.00 0.00 42.46 41.54 2rqe s ILE 80 CO 0.04 -0.68 -0.24 -0.75 0.00 0.00 0.00 174.94 173.31 2rqe s LYS 81 N 1.88 1.78 -1.30 2.79 2.20 -1.26 0.31 119.74 126.14 2rqe s LYS 81 Ca 0.12 -1.14 0.00 0.00 -0.36 0.00 0.00 55.97 54.59 2rqe s LYS 81 Cb -0.17 -2.03 0.00 0.00 -1.51 0.00 0.00 37.83 34.13 2rqe s LYS 81 CO -0.24 0.50 0.00 -3.47 -0.36 0.00 0.00 175.35 171.79 2rqe n ASP 82 N 1.43 -3.51 -1.76 1.43 2.03 -1.26 -0.15 116.55 114.76 2rqe n ASP 82 Ca -0.17 0.29 -0.17 0.00 0.52 0.00 0.00 54.79 55.26 2rqe n ASP 82 Cb 0.52 -3.22 -0.02 0.00 -0.72 0.00 0.00 41.12 37.68 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 -0.37 0.14 0.04 0.27 0.00 -1.26 -4.91 105.19 99.10 2rqe n GLY 83 Ca -0.13 -0.19 -0.04 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.28 0.84 0.00 0.99 4.77 0.78 -5.14 117.00 116.97 2rqe n LEU 84 Ca -0.19 0.14 0.00 0.00 -0.03 0.00 0.00 56.01 55.93 2rqe n LEU 84 Cb 0.63 -0.60 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 2rqe n LEU 84 CO 0.24 -0.40 0.00 0.61 -1.33 0.00 0.00 177.39 176.50 2rqe n GLY 85 N 1.49 2.54 3.35 -0.72 0.00 -1.25 -4.93 105.19 105.67 2rqe n GLY 85 Ca -0.06 -1.24 -0.21 0.00 0.00 0.00 0.00 46.02 44.51 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 1.72 -0.29 1.61 1.51 0.01 -4.94 117.35 116.96 2rqe s TYR 86 Ca 0.00 -1.52 -0.14 0.00 -1.01 0.00 0.00 57.07 54.41 2rqe s TYR 86 Cb 0.00 -0.85 0.13 0.00 -0.11 0.00 0.00 41.96 41.13 2rqe s TYR 86 CO 0.00 -0.66 0.80 0.50 -1.11 0.00 0.00 175.55 175.08 2rqe s ARG 87 N -3.60 0.50 0.38 -0.62 3.52 -1.26 -1.04 118.95 116.83 2rqe s ARG 87 Ca 0.35 1.08 -0.05 0.00 -0.13 0.00 0.00 55.73 56.98 2rqe s ARG 87 Cb 0.03 0.46 0.08 0.00 -1.56 0.00 0.00 34.95 33.96 2rqe s ARG 87 CO 0.22 -0.14 0.19 0.94 -0.81 0.00 0.00 175.30 175.69 2rqe n GLN 88 N 4.77 -1.20 -0.95 5.12 7.27 0.54 -4.62 117.38 128.30 2rqe n GLN 88 Ca -0.14 -0.31 0.00 0.00 0.07 0.00 0.00 57.00 56.61 2rqe n GLN 88 Cb 0.54 -0.53 0.00 0.00 2.41 0.00 0.00 30.24 32.66 2rqe n GLN 88 CO 0.00 0.00 0.00 -0.25 0.07 0.00 0.00 177.06 176.88 2rqe n ASP 89 N -2.19 0.00 0.00 1.69 8.00 -1.26 -4.60 116.55 118.19 2rqe n ASP 89 Ca 0.03 -0.63 0.00 0.00 0.71 0.00 0.00 54.79 54.90 2rqe n ASP 89 Cb 0.13 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.23 2rqe n ASP 89 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 2rqe n ASN 90 N -0.30 0.00 -3.89 -2.24 2.85 -1.26 -4.64 115.26 105.78 2rqe n ASN 90 Ca 0.00 0.00 -0.31 0.00 -0.11 0.00 0.00 54.58 54.16 2rqe n ASN 90 Cb 0.00 0.00 0.01 0.00 1.24 0.00 0.00 39.78 41.03 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 -0.64 3.15 8.20 0.00 -1.21 -4.91 105.19 109.79 2rqe n GLY 91 Ca 0.00 0.26 0.05 0.00 0.00 0.00 0.00 46.02 46.33 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 -6.29 0.34 -0.15 1.61 2.12 -1.21 -4.37 118.70 110.76 2rqe s GLU 92 Ca 0.29 0.52 -0.04 0.00 0.36 0.00 0.00 54.97 56.09 2rqe s GLU 92 Cb -0.16 0.28 0.07 0.00 0.26 0.00 0.00 34.13 34.58 2rqe s GLU 92 CO 0.67 -0.46 0.22 -1.58 -0.54 0.00 0.00 175.26 173.57 2rqe s TRP 93 N 2.91 -0.31 -0.02 5.30 0.51 0.13 -4.97 118.94 122.50 2rqe s TRP 93 Ca 0.12 0.56 -0.22 0.00 -2.12 0.00 0.00 56.10 54.44 2rqe s TRP 93 Cb -0.10 -0.23 -0.05 0.00 -0.81 0.00 0.00 33.47 32.28 2rqe s TRP 93 CO -0.18 -0.45 0.66 0.99 -0.51 0.00 0.00 176.95 177.46 2rqe s THR 94 N 2.35 4.92 -0.33 2.01 2.01 -1.26 0.63 115.64 125.97 2rqe s THR 94 Ca 0.04 1.38 -0.28 0.00 0.31 0.00 0.00 61.69 63.15 2rqe s THR 94 Cb -0.14 -4.00 -0.04 0.00 0.01 0.00 0.00 72.50 68.33 2rqe s THR 94 CO -0.10 0.35 2.09 -0.69 -0.69 0.00 0.00 174.62 175.58 2rqe s VAL 95 N 0.17 3.18 0.00 3.82 1.01 -0.82 -4.74 120.40 123.03 2rqe s VAL 95 Ca 0.35 0.17 0.00 0.00 0.00 0.00 0.00 61.98 62.50 2rqe s VAL 95 Cb -0.18 -3.28 0.00 0.00 0.00 0.00 0.00 36.38 32.91 2rqe s VAL 95 CO 0.19 -0.21 0.62 -0.62 0.00 0.00 0.00 175.10 175.08 2rqe n GLU 96 N 8.73 0.77 -4.57 2.72 1.02 -1.26 -2.88 120.64 125.17 2rqe n GLU 96 Ca 0.28 -0.80 -0.32 0.00 -0.02 0.00 0.00 57.16 56.30 2rqe n GLU 96 Cb 0.48 -0.86 -0.05 0.00 -0.02 0.00 0.00 31.44 30.99 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 -0.37 2.94 0.06 0.62 0.00 -1.26 -5.06 107.32 104.24 2rqe s GLY 97 Ca 0.00 -0.32 -0.17 0.00 0.00 0.00 0.00 44.72 44.22 2rqe s GLY 97 CO 0.00 -2.15 0.40 -0.12 0.00 0.00 0.00 173.10 171.23 2rqe s PHE 98 N -2.88 -0.24 0.18 1.90 5.36 -1.26 -3.73 117.98 117.31 2rqe s PHE 98 Ca 0.09 0.15 -0.12 0.00 -0.96 0.00 0.00 56.93 56.09 2rqe s PHE 98 Cb -0.00 0.21 0.04 0.00 -0.34 0.00 0.00 43.02 42.93 2rqe s PHE 98 CO 0.05 -0.58 0.60 1.33 -1.46 0.00 0.00 175.22 175.16 2rqe n VAL 99 N 0.40 0.00 -3.75 3.12 0.24 -1.05 -4.63 118.33 112.67 2rqe n VAL 99 Ca -0.18 -0.50 -0.14 0.00 -2.04 0.00 0.00 64.34 61.48 2rqe n VAL 99 Cb 0.60 0.57 -0.15 0.00 -1.47 0.00 0.00 33.84 33.39 2rqe n VAL 99 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 2rqe s ASP 100 N -2.47 0.01 -1.41 -1.34 1.01 -1.26 -4.12 116.67 107.08 2rqe s ASP 100 Ca 0.13 0.18 -0.09 0.00 0.71 0.00 0.00 52.55 53.47 2rqe s ASP 100 Cb -0.02 0.07 -0.11 0.00 1.01 0.00 0.00 42.92 43.86 2rqe s ASP 100 CO 0.06 -0.14 3.04 1.21 0.21 0.00 0.00 175.17 179.54 2rqe n GLU 101 N 4.25 3.51 0.00 8.23 4.07 -1.26 -5.03 120.64 134.41 2rqe n GLU 101 Ca -0.26 -2.07 0.00 0.00 -0.06 0.00 0.00 57.16 54.76 2rqe n GLU 101 Cb 0.51 -2.69 0.00 0.00 -0.06 0.00 0.00 31.44 29.19 2rqe n GLU 101 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07