#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rqe s GLU 2 N 0.00 0.49 0.55 2.98 2.02 -1.26 -5.06 118.70 118.41 2rqe s GLU 2 Ca 0.00 -1.15 0.00 0.00 0.02 0.00 0.00 54.97 53.84 2rqe s GLU 2 Cb 0.00 -1.23 0.00 0.00 0.10 0.00 0.00 34.13 33.00 2rqe s GLU 2 CO 0.00 -1.18 0.00 0.00 0.02 0.00 0.00 175.26 174.10 2rqe n ALA 3 N 4.27 -1.91 -1.21 5.21 0.00 -1.26 -4.03 120.51 121.58 2rqe n ALA 3 Ca 0.09 0.46 -0.30 0.00 0.00 0.00 0.00 53.44 53.69 2rqe n ALA 3 Cb 0.38 -1.41 0.13 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 -4.66 1.40 0.20 0.00 0.04 -1.26 -4.84 135.00 125.87 2rqe s PRO 4 Ca 0.00 0.87 -0.30 0.00 0.04 0.00 0.00 61.00 61.61 2rqe s PRO 4 Cb 0.00 -1.82 -0.09 0.00 0.04 0.00 0.00 34.50 32.63 2rqe s PRO 4 CO 0.00 -2.16 1.30 -1.25 0.04 0.00 0.00 177.00 174.93 2rqe s PRO 5 N -4.93 4.39 0.15 0.56 0.04 -1.26 -4.94 135.00 129.01 2rqe s PRO 5 Ca 0.63 2.04 -0.25 0.00 0.04 0.00 0.00 61.00 63.46 2rqe s PRO 5 Cb -0.18 -3.20 -0.08 0.00 0.04 0.00 0.00 34.50 31.09 2rqe s PRO 5 CO 0.57 -0.25 0.77 0.00 0.04 0.00 0.00 177.00 178.13 2rqe s ALA 6 N 0.12 3.45 -1.19 8.56 0.00 -1.26 -4.58 121.76 126.85 2rqe s ALA 6 Ca 0.56 0.34 -0.11 0.00 0.00 0.00 0.00 51.96 52.76 2rqe s ALA 6 Cb -0.36 -2.94 0.21 0.00 0.00 0.00 0.00 23.12 20.02 2rqe s ALA 6 CO 0.38 0.28 1.45 2.41 0.00 0.00 0.00 175.76 180.28 2rqe n THR 7 N 1.69 4.43 -2.53 0.00 -1.04 0.12 -4.97 114.28 111.98 2rqe n THR 7 Ca -0.06 -4.91 -0.43 0.00 -2.04 0.00 0.00 64.05 56.61 2rqe n THR 7 Cb 0.49 -2.44 -0.02 0.00 -1.82 0.00 0.00 70.33 66.54 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 0.28 3.70 0.00 -4.42 1.02 -1.26 -3.04 118.68 114.96 2rqe s LEU 8 Ca 0.39 0.74 0.00 0.00 0.02 0.00 0.00 54.13 55.28 2rqe s LEU 8 Cb -0.02 -3.55 0.00 0.00 0.02 0.00 0.00 46.19 42.65 2rqe s LEU 8 CO -0.01 -1.21 0.00 -0.62 0.02 0.00 0.00 176.35 174.53 2rqe n GLU 9 N 7.67 2.00 -3.31 1.70 -0.58 -0.50 -4.79 120.64 122.83 2rqe n GLU 9 Ca 0.13 0.00 -0.24 0.00 -0.42 0.00 0.00 57.16 56.64 2rqe n GLU 9 Cb 0.48 0.00 -0.09 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 -3.40 0.80 1.05 0.62 0.00 0.69 -4.68 121.76 116.85 2rqe s ALA 10 Ca 0.00 -2.06 -0.15 0.00 0.00 0.00 0.00 51.96 49.75 2rqe s ALA 10 Cb 0.00 -1.77 0.22 0.00 0.00 0.00 0.00 23.12 21.57 2rqe s ALA 10 CO 0.00 -2.03 1.11 0.42 0.00 0.00 0.00 175.76 175.27 2rqe s ILE 11 N 0.31 1.88 1.16 0.00 -1.09 -1.26 -2.11 121.20 120.09 2rqe s ILE 11 Ca 0.31 0.00 -0.17 0.00 -2.23 0.00 0.00 60.65 58.55 2rqe s ILE 11 Cb 0.01 -2.55 0.18 0.00 -1.58 0.00 0.00 42.46 38.52 2rqe s ILE 11 CO -0.16 0.00 0.33 1.41 -1.23 0.00 0.00 174.94 175.29 2rqe n HIS 12 N -4.30 -1.79 0.49 3.97 8.25 -1.26 -4.64 115.22 115.94 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 0.58 -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 -3.00 0.49 -0.88 -0.41 -0.04 -1.26 -2.43 135.00 127.46 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 -1.24 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 0.27 0.75 -2.73 0.54 2.85 -1.26 -4.12 118.16 114.46 2rqe n LYS 14 Ca 0.00 -2.46 0.00 0.00 -1.05 0.00 0.00 58.31 54.80 2rqe n LYS 14 Cb 0.13 -0.85 0.00 0.00 -0.65 0.00 0.00 35.03 33.66 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 -0.39 -1.57 3.50 2.58 0.00 -1.02 -4.19 105.19 104.10 2rqe n GLY 15 Ca 0.11 -1.52 -0.09 0.00 0.00 0.00 0.00 46.02 44.52 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 0.35 0.00 0.99 2.96 -1.24 -4.12 118.68 117.63 2rqe s LEU 16 Ca 0.00 -0.69 0.04 0.00 -0.22 0.00 0.00 54.13 53.26 2rqe s LEU 16 Cb 0.00 1.83 -0.01 0.00 0.50 0.00 0.00 46.19 48.51 2rqe s LEU 16 CO 0.00 -1.04 -0.13 -0.60 -1.32 0.00 0.00 176.35 173.26 2rqe s ARG 17 N -3.93 1.00 -0.28 1.98 3.52 -1.26 -0.38 118.95 119.60 2rqe s ARG 17 Ca 0.14 -0.52 0.01 0.00 -0.13 0.00 0.00 55.73 55.23 2rqe s ARG 17 Cb 0.00 -0.97 0.16 0.00 -1.56 0.00 0.00 34.95 32.58 2rqe s ARG 17 CO 0.01 0.26 0.43 0.08 -0.81 0.00 0.00 175.30 175.27 2rqe s VAL 18 N -0.43 -0.68 0.27 7.11 1.01 -0.52 -1.41 120.40 125.74 2rqe s VAL 18 Ca 0.04 -0.18 0.10 0.00 0.00 0.00 0.00 61.98 61.94 2rqe s VAL 18 Cb -0.06 -0.94 -0.04 0.00 0.00 0.00 0.00 36.38 35.34 2rqe s VAL 18 CO -0.00 -0.19 -0.06 -0.55 0.00 0.00 0.00 175.10 174.30 2rqe s SER 19 N 2.59 4.28 0.03 3.32 0.15 -1.17 -2.50 113.70 120.40 2rqe s SER 19 Ca 0.12 -0.75 0.00 0.00 0.70 0.00 0.00 55.95 56.02 2rqe s SER 19 Cb -0.13 -0.69 -0.02 0.00 -1.71 0.00 0.00 66.02 63.46 2rqe s SER 19 CO -0.25 0.02 -0.04 0.68 1.20 0.00 0.00 173.24 174.85 2rqe s VAL 20 N -2.35 0.18 -0.05 4.45 -7.23 -0.89 0.13 120.40 114.63 2rqe s VAL 20 Ca 0.31 -1.08 -0.30 0.00 -1.81 0.00 0.00 61.98 59.10 2rqe s VAL 20 Cb -0.06 -0.50 -0.05 0.00 0.56 0.00 0.00 36.38 36.33 2rqe s VAL 20 CO 0.18 -0.57 1.49 -2.16 -0.31 0.00 0.00 175.10 173.74 2rqe s PRO 21 N -1.87 4.23 -0.70 4.82 0.04 -1.26 -2.14 135.00 138.11 2rqe s PRO 21 Ca -0.12 2.02 -0.27 0.00 0.04 0.00 0.00 61.00 62.67 2rqe s PRO 21 Cb -0.07 -3.78 0.03 0.00 0.04 0.00 0.00 34.50 30.72 2rqe s PRO 21 CO -0.02 -0.72 1.25 0.34 0.04 0.00 0.00 177.00 177.89 2rqe s ASP 22 N 2.53 6.22 -0.33 6.66 2.15 -1.26 -4.85 116.67 127.79 2rqe s ASP 22 Ca 0.66 -0.34 0.05 0.00 0.43 0.00 0.00 52.55 53.35 2rqe s ASP 22 Cb -0.31 -2.56 0.56 0.00 -0.30 0.00 0.00 42.92 40.32 2rqe s ASP 22 CO 0.26 -1.75 1.69 1.21 -0.17 0.00 0.00 175.17 176.41 2rqe n GLU 23 N 9.14 2.40 0.00 4.34 4.07 -1.26 -4.74 120.64 134.60 2rqe n GLU 23 Ca 0.04 -2.44 0.00 0.00 -0.06 0.00 0.00 57.16 54.71 2rqe n GLU 23 Cb 0.49 -1.98 0.00 0.00 -0.06 0.00 0.00 31.44 29.89 2rqe n GLU 23 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2rqe n GLY 24 N -0.57 1.30 3.68 8.31 0.00 -1.26 -5.00 105.19 111.64 2rqe n GLY 24 Ca 0.43 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.16 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 -2.00 2.07 0.00 1.61 0.08 -1.26 -3.82 117.98 114.66 2rqe s PHE 25 Ca 0.00 1.33 0.00 0.00 0.12 0.00 0.00 56.93 58.38 2rqe s PHE 25 Cb 0.00 -3.17 0.00 0.00 -0.57 0.00 0.00 43.02 39.28 2rqe s PHE 25 CO 0.00 -2.67 0.01 0.45 -0.10 0.00 0.00 175.22 172.92 2rqe n SER 26 N -4.08 0.03 -3.64 1.36 2.88 0.29 -4.89 113.62 105.56 2rqe n SER 26 Ca 0.07 -0.33 -0.14 0.00 -1.33 0.00 0.00 58.87 57.14 2rqe n SER 26 Cb 0.55 0.57 -0.07 0.00 -0.75 0.00 0.00 64.21 64.51 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 -1.15 -0.61 0.07 2.46 1.98 -1.22 -4.55 118.68 115.67 2rqe s LEU 27 Ca 0.00 1.38 0.03 0.00 -2.89 0.00 0.00 54.13 52.65 2rqe s LEU 27 Cb 0.00 2.34 -0.03 0.00 0.66 0.00 0.00 46.19 49.16 2rqe s LEU 27 CO 0.00 -0.24 -0.10 0.12 -1.89 0.00 0.00 176.35 174.25 2rqe s PHE 28 N 0.36 0.90 0.14 5.38 5.36 0.13 -1.96 117.98 128.30 2rqe s PHE 28 Ca -0.00 -0.58 0.01 0.00 -0.96 0.00 0.00 56.93 55.40 2rqe s PHE 28 Cb -0.05 -0.52 -0.04 0.00 -0.34 0.00 0.00 43.02 42.07 2rqe s PHE 28 CO 0.01 -0.04 -0.01 0.00 -1.46 0.00 0.00 175.22 173.72 2rqe s ALA 29 N -1.88 1.12 -0.20 11.12 0.00 -0.55 -0.07 121.76 131.29 2rqe s ALA 29 Ca -0.02 -1.49 -0.04 0.00 0.00 0.00 0.00 51.96 50.41 2rqe s ALA 29 Cb -0.06 0.50 0.10 0.00 0.00 0.00 0.00 23.12 23.65 2rqe s ALA 29 CO 0.00 -0.33 0.30 0.12 0.00 0.00 0.00 175.76 175.85 2rqe s PHE 30 N -3.74 -0.54 -0.33 0.00 2.19 0.20 -3.99 117.98 111.77 2rqe s PHE 30 Ca 0.20 0.72 0.01 0.00 0.33 0.00 0.00 56.93 58.19 2rqe s PHE 30 Cb 0.06 -0.10 0.15 0.00 -1.31 0.00 0.00 43.02 41.82 2rqe s PHE 30 CO 0.01 -0.57 0.33 -1.01 1.83 0.00 0.00 175.22 175.80 2rqe s HIS 31 N 2.45 -0.34 0.15 10.12 3.76 -1.25 -0.66 115.29 129.52 2rqe s HIS 31 Ca 0.07 -0.53 0.00 0.00 -0.15 0.00 0.00 55.06 54.45 2rqe s HIS 31 Cb -0.14 -0.46 -0.00 0.00 1.11 0.00 0.00 32.58 33.09 2rqe s HIS 31 CO -0.13 -0.94 0.18 0.41 -0.85 0.00 0.00 174.74 173.42 2rqe n GLY 32 N 4.77 2.95 0.00 -2.22 0.00 -1.25 -3.81 105.19 105.63 2rqe n GLY 32 Ca 0.05 -1.56 0.00 0.00 0.00 0.00 0.00 46.02 44.50 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 -0.26 0.83 -3.87 1.61 5.02 -1.26 -0.97 118.16 119.27 2rqe n LYS 33 Ca 0.01 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.18 2rqe n LYS 33 Cb 0.25 0.00 -0.14 0.00 -0.02 0.00 0.00 35.03 35.13 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 1.97 -1.22 -0.35 2.96 -1.26 -4.23 118.68 116.56 2rqe s LEU 34 Ca 0.00 0.01 0.00 0.00 -0.22 0.00 0.00 54.13 53.92 2rqe s LEU 34 Cb 0.00 0.03 0.00 0.00 0.50 0.00 0.00 46.19 46.72 2rqe s LEU 34 CO 0.00 -0.01 0.00 0.59 -1.32 0.00 0.00 176.35 175.61 2rqe n ASN 35 N 3.05 -3.22 -3.66 3.68 5.03 -1.19 -4.87 115.26 114.08 2rqe n ASN 35 Ca -0.12 0.28 -0.06 0.00 0.87 0.00 0.00 54.58 55.55 2rqe n ASN 35 Cb 0.60 -3.01 -0.07 0.00 -1.02 0.00 0.00 39.78 36.28 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 -3.32 0.50 -0.02 3.52 2.12 -1.26 -5.11 118.70 115.13 2rqe s GLU 36 Ca 0.00 1.19 -0.12 0.00 0.36 0.00 0.00 54.97 56.39 2rqe s GLU 36 Cb 0.00 0.43 -0.05 0.00 0.26 0.00 0.00 34.13 34.77 2rqe s GLU 36 CO 0.00 -0.20 0.35 -1.83 -0.54 0.00 0.00 175.26 173.04 2rqe s GLU 37 N 2.34 3.79 0.30 4.30 -1.05 -1.26 -4.58 118.70 122.54 2rqe s GLU 37 Ca -0.06 0.26 0.02 0.00 -0.15 0.00 0.00 54.97 55.05 2rqe s GLU 37 Cb -0.10 -3.19 0.06 0.00 -0.44 0.00 0.00 34.13 30.46 2rqe s GLU 37 CO -0.16 0.70 0.41 0.00 0.95 0.00 0.00 175.26 177.16 2rqe n MET 38 N 1.74 0.57 -3.76 -4.83 0.00 -1.26 -5.13 117.12 104.44 2rqe n MET 38 Ca -0.14 -1.36 -0.10 0.00 0.00 0.00 0.00 57.70 56.09 2rqe n MET 38 Cb 0.53 -0.20 -0.07 0.00 0.00 0.00 0.00 33.22 33.48 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 -3.42 0.86 -1.48 3.17 2.12 -1.26 -4.91 118.70 113.79 2rqe s GLU 39 Ca 0.29 -0.68 -0.07 0.00 0.36 0.00 0.00 54.97 54.88 2rqe s GLU 39 Cb -0.02 0.37 0.02 0.00 0.26 0.00 0.00 34.13 34.76 2rqe s GLU 39 CO 0.19 -0.29 0.65 0.41 -0.54 0.00 0.00 175.26 175.69 2rqe n GLY 40 N 0.25 -0.52 2.87 -1.50 0.00 -1.26 -3.65 105.19 101.39 2rqe n GLY 40 Ca -0.17 0.14 -0.21 0.00 0.00 0.00 0.00 46.02 45.78 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 -4.09 -2.25 -4.51 0.99 4.77 -1.26 -4.98 117.00 105.67 2rqe n LEU 41 Ca -0.07 0.02 -0.24 0.00 -0.03 0.00 0.00 56.01 55.69 2rqe n LEU 41 Cb 0.59 -1.25 -0.11 0.00 -2.33 0.00 0.00 43.42 40.32 2rqe n LEU 41 CO 0.51 -0.37 -0.28 -1.83 -1.33 0.00 0.00 177.39 174.08 2rqe s GLU 42 N -1.55 1.76 -0.78 3.23 -1.05 -1.24 -5.08 118.70 113.99 2rqe s GLU 42 Ca 0.20 -1.98 -0.26 0.00 -0.15 0.00 0.00 54.97 52.78 2rqe s GLU 42 Cb -0.02 -1.17 0.03 0.00 -0.44 0.00 0.00 34.13 32.52 2rqe s GLU 42 CO 0.46 -0.12 1.36 0.00 0.95 0.00 0.00 175.26 177.91 2rqe s ALA 43 N -3.06 2.68 0.00 -0.84 0.00 -1.26 -4.91 121.76 114.37 2rqe s ALA 43 Ca 0.36 -1.46 0.00 0.00 0.00 0.00 0.00 51.96 50.85 2rqe s ALA 43 Cb 0.09 -4.31 0.00 0.00 0.00 0.00 0.00 23.12 18.90 2rqe s ALA 43 CO 0.16 -3.41 0.00 0.41 0.00 0.00 0.00 175.76 172.92 2rqe n GLY 44 N 5.67 -2.24 0.27 0.00 0.00 -1.26 -4.98 105.19 102.65 2rqe n GLY 44 Ca 0.10 -0.14 -0.05 0.00 0.00 0.00 0.00 46.02 45.92 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 -1.24 1.61 -0.00 -0.95 -4.98 115.22 109.67 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 -0.29 0.11 0.00 -0.12 0.00 0.00 29.99 29.70 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 -2.25 1.88 -0.30 1.57 0.51 -0.14 -4.92 118.94 115.29 2rqe s TRP 46 Ca -0.17 1.64 -0.06 0.00 -2.12 0.00 0.00 56.10 55.40 2rqe s TRP 46 Cb 0.02 -3.50 0.16 0.00 -0.81 0.00 0.00 33.47 29.35 2rqe s TRP 46 CO 0.25 -2.80 0.66 -1.54 -0.51 0.00 0.00 176.95 173.00 2rqe s SER 47 N -2.07 -1.22 -0.05 2.95 1.04 -1.21 -3.81 113.70 109.33 2rqe s SER 47 Ca 0.74 1.13 -0.26 0.00 0.48 0.00 0.00 55.95 58.05 2rqe s SER 47 Cb -0.29 2.17 0.06 0.00 0.10 0.00 0.00 66.02 68.05 2rqe s SER 47 CO 0.49 -0.23 0.57 -0.60 0.98 0.00 0.00 173.24 174.44 2rqe s ARG 48 N 2.86 0.92 -0.26 4.02 6.06 0.17 -4.98 118.95 127.73 2rqe s ARG 48 Ca 0.08 0.17 -0.04 0.00 -2.50 0.00 0.00 55.73 53.45 2rqe s ARG 48 Cb -0.13 0.43 0.09 0.00 0.06 0.00 0.00 34.95 35.40 2rqe s ARG 48 CO -0.20 -0.27 0.12 0.34 -2.50 0.00 0.00 175.30 172.79 2rqe s ASP 49 N -1.12 3.30 -0.30 -2.12 2.15 -1.26 0.58 116.67 117.91 2rqe s ASP 49 Ca -0.11 -1.15 -0.20 0.00 0.43 0.00 0.00 52.55 51.52 2rqe s ASP 49 Cb -0.02 -0.36 -0.01 0.00 -0.30 0.00 0.00 42.92 42.23 2rqe s ASP 49 CO 0.08 -0.42 0.63 -0.63 -0.17 0.00 0.00 175.17 174.66 2rqe s ILE 50 N 2.08 4.95 -0.50 4.11 -1.09 0.89 -4.93 121.20 126.71 2rqe s ILE 50 Ca 0.07 0.89 0.03 0.00 -2.23 0.00 0.00 60.65 59.41 2rqe s ILE 50 Cb -0.16 -3.99 0.55 0.00 -1.58 0.00 0.00 42.46 37.28 2rqe s ILE 50 CO -0.30 -0.11 1.84 0.35 -1.23 0.00 0.00 174.94 175.49 2rqe n THR 51 N 5.37 3.22 0.00 2.92 -2.24 -1.26 0.21 114.28 122.50 2rqe n THR 51 Ca -0.01 -2.58 0.00 0.00 -2.27 0.00 0.00 64.05 59.19 2rqe n THR 51 Cb 0.49 -0.75 0.00 0.00 -2.10 0.00 0.00 70.33 67.97 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 -1.03 0.00 -0.59 -0.78 5.02 -1.26 -4.87 118.16 114.64 2rqe n LYS 52 Ca 0.56 0.00 -0.17 0.00 -2.02 0.00 0.00 58.31 56.68 2rqe n LYS 52 Cb 1.17 0.00 0.14 0.00 -0.02 0.00 0.00 35.03 36.32 2rqe n LYS 52 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 2rqe n PRO 53 N -0.48 -2.24 0.00 1.97 -0.04 -1.26 -4.95 135.00 127.99 2rqe n PRO 53 Ca 0.00 -1.00 0.00 0.00 -0.04 0.00 0.00 63.50 62.46 2rqe n PRO 53 Cb 0.00 -0.94 0.00 0.00 -0.04 0.00 0.00 33.50 32.52 2rqe n PRO 53 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 2rqe n LYS 54 N -3.42 0.05 -2.73 0.54 2.85 -1.17 -4.93 118.16 109.35 2rqe n LYS 54 Ca 0.09 0.00 -0.13 0.00 -1.05 0.00 0.00 58.31 57.22 2rqe n LYS 54 Cb 0.34 -0.52 0.02 0.00 -0.65 0.00 0.00 35.03 34.22 2rqe n LYS 54 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 177.40 175.64 2rqe n ASN 55 N -1.12 1.79 0.00 -5.58 5.15 -1.26 -4.94 115.26 109.30 2rqe n ASN 55 Ca 0.00 -2.89 0.00 0.00 -0.60 0.00 0.00 54.58 51.09 2rqe n ASN 55 Cb 0.02 -0.54 0.00 0.00 -0.53 0.00 0.00 39.78 38.73 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 -0.06 2.66 3.47 8.20 0.00 -1.26 -4.95 105.19 113.25 2rqe n GLY 56 Ca 0.15 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.01 1.71 -0.93 1.61 1.81 -1.26 -4.25 118.95 117.62 2rqe s ARG 57 Ca 0.00 -1.97 -0.18 0.00 -1.72 0.00 0.00 55.73 51.86 2rqe s ARG 57 Cb 0.00 -0.87 0.14 0.00 -0.45 0.00 0.00 34.95 33.77 2rqe s ARG 57 CO 0.00 -0.23 1.11 -1.58 -0.68 0.00 0.00 175.30 173.93 2rqe s TRP 58 N -3.26 3.17 -0.01 -0.53 0.52 -0.91 -3.03 118.94 114.88 2rqe s TRP 58 Ca 0.34 -1.45 -0.16 0.00 0.02 0.00 0.00 56.10 54.85 2rqe s TRP 58 Cb 0.08 -4.26 -0.06 0.00 -1.15 0.00 0.00 33.47 28.09 2rqe s TRP 58 CO 0.15 -1.46 0.44 0.42 0.02 0.00 0.00 176.95 176.53 2rqe s ILE 59 N 2.51 5.01 0.04 2.03 1.01 -1.26 -2.10 121.20 128.44 2rqe s ILE 59 Ca 0.32 0.91 0.04 0.00 0.00 0.00 0.00 60.65 61.92 2rqe s ILE 59 Cb -0.05 -3.76 -0.02 0.00 0.01 0.00 0.00 42.46 38.64 2rqe s ILE 59 CO -0.09 0.53 -0.11 0.12 0.00 0.00 0.00 174.94 175.38 2rqe s PHE 60 N -0.77 0.99 -0.03 3.97 5.36 -1.04 -4.95 117.98 121.51 2rqe s PHE 60 Ca 0.25 -0.37 -0.00 0.00 -0.96 0.00 0.00 56.93 55.85 2rqe s PHE 60 Cb -0.17 -0.59 0.03 0.00 -0.34 0.00 0.00 43.02 41.95 2rqe s PHE 60 CO 0.14 0.00 0.02 1.03 -1.46 0.00 0.00 175.22 174.95 2rqe s ARG 61 N -1.20 0.13 0.51 10.12 3.00 -1.26 -1.44 118.95 128.81 2rqe s ARG 61 Ca -0.02 0.17 0.08 0.00 0.00 0.00 0.00 55.73 55.97 2rqe s ARG 61 Cb -0.08 -0.43 0.09 0.00 0.00 0.00 0.00 34.95 34.52 2rqe s ARG 61 CO 0.01 -0.19 0.71 -3.47 0.00 0.00 0.00 175.30 172.35 2rqe n ASP 62 N 4.42 1.82 -1.05 0.23 -0.08 0.49 -4.94 116.55 117.44 2rqe n ASP 62 Ca -0.22 -2.33 0.01 0.00 -1.51 0.00 0.00 54.79 50.73 2rqe n ASP 62 Cb 0.50 -0.38 -0.00 0.00 2.34 0.00 0.00 41.12 43.58 2rqe n ASP 62 CO 0.00 0.00 0.00 -1.14 0.12 0.00 0.00 177.20 176.18 2rqe n ARG 63 N -2.12 0.00 -1.13 -0.67 0.00 -1.26 -3.61 116.66 107.87 2rqe n ARG 63 Ca 0.14 -1.37 -0.01 0.00 -0.00 0.00 0.00 57.85 56.61 2rqe n ARG 63 Cb 0.52 -0.05 -0.02 0.00 0.00 0.00 0.00 32.46 32.92 2rqe n ARG 63 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.63 177.90 2rqe n ASN 64 N 0.23 0.05 -4.06 6.15 0.23 -1.26 -4.58 115.26 112.03 2rqe n ASN 64 Ca -0.02 -1.92 -0.34 0.00 -0.53 0.00 0.00 54.58 51.77 2rqe n ASN 64 Cb 0.89 -0.03 -0.09 0.00 -2.08 0.00 0.00 39.78 38.47 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 3.86 -0.89 -2.53 0.00 -1.26 -4.87 121.76 116.06 2rqe s ALA 65 Ca 0.15 -3.58 -0.23 0.00 0.00 0.00 0.00 51.96 48.29 2rqe s ALA 65 Cb 0.17 -2.61 0.06 0.00 0.00 0.00 0.00 23.12 20.73 2rqe s ALA 65 CO -0.07 -2.12 1.31 0.00 0.00 0.00 0.00 175.76 174.88 2rqe s ALA 66 N -0.80 2.85 0.22 0.00 0.00 -1.26 -2.87 121.76 119.90 2rqe s ALA 66 Ca 0.22 -2.04 -0.09 0.00 0.00 0.00 0.00 51.96 50.05 2rqe s ALA 66 Cb -0.13 -4.32 -0.01 0.00 0.00 0.00 0.00 23.12 18.65 2rqe s ALA 66 CO -0.09 -3.36 0.37 -0.48 0.00 0.00 0.00 175.76 172.20 2rqe s LEU 67 N 4.79 0.61 0.20 0.00 -0.00 -1.26 -4.97 118.68 118.04 2rqe s LEU 67 Ca 0.39 -1.03 -0.18 0.00 -0.00 0.00 0.00 54.13 53.31 2rqe s LEU 67 Cb -0.05 1.35 0.03 0.00 -0.00 0.00 0.00 46.19 47.52 2rqe s LEU 67 CO -0.01 -1.03 0.53 -1.59 -0.00 0.00 0.00 176.35 174.25 2rqe s LYS 68 N -4.05 1.39 -0.37 1.48 0.00 -1.26 -4.18 119.74 112.75 2rqe s LYS 68 Ca 0.26 -0.85 -0.34 0.00 0.00 0.00 0.00 55.97 55.04 2rqe s LYS 68 Cb 0.02 0.53 -0.15 0.00 0.00 0.00 0.00 37.83 38.23 2rqe s LYS 68 CO 0.09 -0.59 1.22 -0.89 0.00 0.00 0.00 175.35 175.18 2rqe n ILE 69 N -0.35 0.00 0.00 3.79 2.08 -1.26 -1.52 119.36 122.10 2rqe n ILE 69 Ca -0.10 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.21 2rqe n ILE 69 Cb 0.62 -0.37 0.00 0.00 -0.75 0.00 0.00 39.64 39.15 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 3.23 0.74 2.86 7.39 0.00 -1.20 -5.04 105.19 113.17 2rqe n GLY 70 Ca 0.25 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.02 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 -2.28 -4.15 1.61 9.92 -0.58 -4.74 116.55 116.34 2rqe n ASP 71 Ca 0.00 -0.99 -0.11 0.00 -0.53 0.00 0.00 54.79 53.16 2rqe n ASP 71 Cb 0.00 -0.83 -0.10 0.00 -0.64 0.00 0.00 41.12 39.55 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 -5.00 1.10 -0.00 -1.24 1.02 -1.26 -1.63 119.74 112.72 2rqe s LYS 72 Ca 0.58 -1.49 -0.07 0.00 0.02 0.00 0.00 55.97 55.01 2rqe s LYS 72 Cb -0.07 0.28 0.00 0.00 -0.52 0.00 0.00 37.83 37.52 2rqe s LYS 72 CO 0.46 -0.35 0.14 0.42 -0.92 0.00 0.00 175.35 175.10 2rqe s ILE 73 N -4.09 0.08 -0.25 2.17 1.01 0.14 -3.14 121.20 117.12 2rqe s ILE 73 Ca 0.30 -0.65 -0.02 0.00 0.00 0.00 0.00 60.65 60.29 2rqe s ILE 73 Cb 0.06 -0.43 0.14 0.00 0.01 0.00 0.00 42.46 42.25 2rqe s ILE 73 CO 0.07 -0.35 0.40 -0.31 0.00 0.00 0.00 174.94 174.74 2rqe s TYR 74 N -1.30 -0.90 0.00 3.97 1.51 -1.26 -0.25 117.35 119.12 2rqe s TYR 74 Ca -0.14 0.82 0.00 0.00 -1.01 0.00 0.00 57.07 56.74 2rqe s TYR 74 Cb -0.07 0.03 0.00 0.00 -0.11 0.00 0.00 41.96 41.81 2rqe s TYR 74 CO 0.02 -0.77 0.00 1.97 -1.11 0.00 0.00 175.55 175.66 2rqe n PHE 75 N 5.37 -0.60 -4.21 2.71 -1.74 -1.26 -4.07 117.46 113.66 2rqe n PHE 75 Ca -0.03 0.00 -0.12 0.00 -0.56 0.00 0.00 57.45 56.74 2rqe n PHE 75 Cb 0.50 0.00 -0.10 0.00 1.52 0.00 0.00 39.48 41.40 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 -6.33 1.09 0.03 2.97 1.48 -1.25 -3.49 118.94 113.44 2rqe s TRP 76 Ca 0.00 -0.98 0.03 0.00 -1.06 0.00 0.00 56.10 54.08 2rqe s TRP 76 Cb 0.00 -0.62 -0.02 0.00 -1.16 0.00 0.00 33.47 31.67 2rqe s TRP 76 CO 0.00 -0.19 -0.08 0.95 -4.06 0.00 0.00 176.95 173.56 2rqe s THR 77 N -3.65 0.61 0.07 0.66 -4.23 -1.26 -3.80 115.64 104.04 2rqe s THR 77 Ca 0.19 -0.82 0.04 0.00 -1.18 0.00 0.00 61.69 59.92 2rqe s THR 77 Cb 0.06 -0.61 -0.04 0.00 1.34 0.00 0.00 72.50 73.25 2rqe s THR 77 CO 0.01 -0.17 0.03 0.12 -0.54 0.00 0.00 174.62 174.06 2rqe s PHE 78 N -0.93 3.07 0.18 3.99 5.36 -1.26 -1.81 117.98 126.59 2rqe s PHE 78 Ca -0.04 0.03 -0.10 0.00 -0.96 0.00 0.00 56.93 55.85 2rqe s PHE 78 Cb -0.07 -1.59 -0.00 0.00 -0.34 0.00 0.00 43.02 41.01 2rqe s PHE 78 CO 0.00 0.49 0.33 0.14 -1.46 0.00 0.00 175.22 174.73 2rqe s VAL 79 N -1.30 0.05 -0.32 3.12 -7.23 -0.36 -1.49 120.40 112.88 2rqe s VAL 79 Ca 0.26 -1.32 0.01 0.00 -1.81 0.00 0.00 61.98 59.13 2rqe s VAL 79 Cb -0.12 -1.85 0.15 0.00 0.56 0.00 0.00 36.38 35.12 2rqe s VAL 79 CO 0.18 -0.24 0.35 -0.63 -0.31 0.00 0.00 175.10 174.45 2rqe s ILE 80 N -3.96 -0.42 -0.07 -0.62 1.01 -0.83 -1.19 121.20 115.13 2rqe s ILE 80 Ca 0.17 -0.65 0.02 0.00 0.00 0.00 0.00 60.65 60.20 2rqe s ILE 80 Cb 0.02 -0.86 -0.03 0.00 0.01 0.00 0.00 42.46 41.61 2rqe s ILE 80 CO 0.01 -0.48 -0.12 -0.75 0.00 0.00 0.00 174.94 173.59 2rqe s LYS 81 N 2.03 2.70 -1.00 2.79 2.20 -1.26 0.10 119.74 127.30 2rqe s LYS 81 Ca 0.12 -0.66 0.00 0.00 -0.36 0.00 0.00 55.97 55.08 2rqe s LYS 81 Cb -0.14 -2.47 0.00 0.00 -1.51 0.00 0.00 37.83 33.71 2rqe s LYS 81 CO -0.21 0.57 0.00 -3.47 -0.36 0.00 0.00 175.35 171.88 2rqe n ASP 82 N 2.48 -3.61 -2.12 1.43 2.03 -1.25 0.08 116.55 115.59 2rqe n ASP 82 Ca -0.17 0.23 -0.20 0.00 0.52 0.00 0.00 54.79 55.16 2rqe n ASP 82 Cb 0.52 -3.11 -0.03 0.00 -0.72 0.00 0.00 41.12 37.78 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 -0.72 0.13 0.12 0.27 0.00 -1.26 -4.88 105.19 98.86 2rqe n GLY 83 Ca -0.13 -0.03 -0.25 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.76 1.92 -0.08 0.99 4.77 0.11 -5.12 117.00 116.84 2rqe n LEU 84 Ca -0.23 0.37 0.00 0.00 -0.03 0.00 0.00 56.01 56.12 2rqe n LEU 84 Cb 0.68 -0.86 0.00 0.00 -2.33 0.00 0.00 43.42 40.91 2rqe n LEU 84 CO 0.29 0.40 0.00 0.61 -1.33 0.00 0.00 177.39 177.36 2rqe n GLY 85 N 1.33 -0.30 3.26 -0.72 0.00 -1.25 -4.94 105.19 102.57 2rqe n GLY 85 Ca -0.44 -1.15 -0.18 0.00 0.00 0.00 0.00 46.02 44.25 2rqe n GLY 85 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2rqe n TYR 86 N 1.78 -1.03 -3.65 1.61 4.01 -0.34 -4.91 117.16 114.63 2rqe n TYR 86 Ca 0.00 -2.64 -0.02 0.00 -0.16 0.00 0.00 57.90 55.09 2rqe n TYR 86 Cb 0.00 0.38 -0.07 0.00 -0.31 0.00 0.00 39.34 39.35 2rqe n TYR 86 CO 0.00 0.00 0.00 0.50 -0.46 0.00 0.00 176.86 176.90 2rqe s ARG 87 N -3.15 0.10 0.77 -0.72 3.52 -1.26 -1.23 118.95 116.98 2rqe s ARG 87 Ca 0.36 0.14 -0.12 0.00 -0.13 0.00 0.00 55.73 55.98 2rqe s ARG 87 Cb 0.01 0.04 0.05 0.00 -1.56 0.00 0.00 34.95 33.49 2rqe s ARG 87 CO 0.26 -0.01 1.12 -1.14 -0.81 0.00 0.00 175.30 174.71 2rqe s GLN 88 N 0.41 2.34 0.00 5.12 2.00 -0.75 -4.46 119.66 124.33 2rqe s GLN 88 Ca 0.02 0.43 0.00 0.00 -2.00 0.00 0.00 55.36 53.81 2rqe s GLN 88 Cb -0.04 -1.97 0.00 0.00 0.80 0.00 0.00 33.01 31.80 2rqe s GLN 88 CO -0.13 -1.39 0.00 -3.47 -0.50 0.00 0.00 175.29 169.79 2rqe n ASP 89 N -3.24 0.00 0.00 6.67 -0.08 -1.26 -4.11 116.55 114.53 2rqe n ASP 89 Ca 0.07 -0.59 0.00 0.00 -1.51 0.00 0.00 54.79 52.77 2rqe n ASP 89 Cb 0.58 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.04 2rqe n ASP 89 CO 0.00 0.00 0.00 -3.20 0.12 0.00 0.00 177.20 174.12 2rqe n ASN 90 N -1.33 0.00 -3.57 1.67 2.85 -1.26 -4.67 115.26 108.94 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 0.02 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 -0.53 3.22 8.20 0.00 -1.23 -4.91 105.19 109.94 2rqe n GLY 91 Ca 0.00 0.85 0.04 0.00 0.00 0.00 0.00 46.02 46.91 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 -3.59 0.35 -0.20 1.61 2.12 -1.22 -4.36 118.70 113.42 2rqe s GLU 92 Ca 0.19 0.69 -0.08 0.00 0.36 0.00 0.00 54.97 56.12 2rqe s GLU 92 Cb -0.02 0.39 0.08 0.00 0.26 0.00 0.00 34.13 34.85 2rqe s GLU 92 CO 0.85 -0.32 0.43 -1.58 -0.54 0.00 0.00 175.26 174.09 2rqe s TRP 93 N 2.83 -0.77 0.08 5.30 0.51 0.65 -4.97 118.94 122.57 2rqe s TRP 93 Ca 0.06 1.50 -0.10 0.00 -2.12 0.00 0.00 56.10 55.43 2rqe s TRP 93 Cb -0.11 0.31 -0.06 0.00 -0.81 0.00 0.00 33.47 32.80 2rqe s TRP 93 CO -0.16 -0.45 0.40 0.99 -0.51 0.00 0.00 176.95 177.22 2rqe s THR 94 N 2.31 5.09 0.04 2.01 2.01 -1.26 0.27 115.64 126.11 2rqe s THR 94 Ca -0.04 0.45 -0.30 0.00 0.31 0.00 0.00 61.69 62.11 2rqe s THR 94 Cb -0.11 -3.65 -0.05 0.00 0.01 0.00 0.00 72.50 68.70 2rqe s THR 94 CO -0.13 0.28 1.16 -0.69 -0.69 0.00 0.00 174.62 174.55 2rqe s VAL 95 N -1.41 4.19 0.00 3.82 1.01 -0.65 -4.87 120.40 122.50 2rqe s VAL 95 Ca 0.33 1.57 0.02 0.00 0.00 0.00 0.00 61.98 63.91 2rqe s VAL 95 Cb -0.14 -4.01 0.04 0.00 0.00 0.00 0.00 36.38 32.28 2rqe s VAL 95 CO 0.18 0.11 0.78 -0.62 0.00 0.00 0.00 175.10 175.56 2rqe n GLU 96 N 4.00 0.00 -3.30 2.72 1.02 -1.26 -3.27 120.64 120.55 2rqe n GLU 96 Ca 0.09 -0.62 -0.03 0.00 -0.02 0.00 0.00 57.16 56.57 2rqe n GLU 96 Cb 0.47 0.05 -0.05 0.00 -0.02 0.00 0.00 31.44 31.89 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 -0.62 -0.68 0.77 0.62 0.00 -1.26 -5.06 107.32 101.09 2rqe s GLY 97 Ca 0.03 1.44 -0.10 0.00 0.00 0.00 0.00 44.72 46.10 2rqe s GLY 97 CO -0.02 2.98 1.12 -1.36 0.00 0.00 0.00 173.10 175.82 2rqe s PHE 98 N 2.71 2.87 0.19 1.90 0.08 -1.26 0.25 117.98 124.71 2rqe s PHE 98 Ca 0.14 0.60 -0.18 0.00 0.12 0.00 0.00 56.93 57.61 2rqe s PHE 98 Cb -0.15 -3.40 0.06 0.00 -0.57 0.00 0.00 43.02 38.97 2rqe s PHE 98 CO -0.18 -1.66 0.87 1.33 -0.10 0.00 0.00 175.22 175.48 2rqe n VAL 99 N -3.17 0.00 -3.91 -0.44 0.24 -0.90 -4.55 118.33 105.60 2rqe n VAL 99 Ca 0.08 -0.54 -0.13 0.00 -2.04 0.00 0.00 64.34 61.71 2rqe n VAL 99 Cb 0.61 0.70 -0.14 0.00 -1.47 0.00 0.00 33.84 33.54 2rqe n VAL 99 CO 0.00 0.00 0.00 1.51 -2.14 0.00 0.00 176.83 176.20 2rqe s ASP 100 N -3.08 0.12 -0.27 -1.34 -4.77 -1.26 -4.10 116.67 101.96 2rqe s ASP 100 Ca 0.19 -0.01 -0.03 0.00 -3.30 0.00 0.00 52.55 49.40 2rqe s ASP 100 Cb -0.03 -0.02 0.06 0.00 -1.09 0.00 0.00 42.92 41.84 2rqe s ASP 100 CO 0.06 0.00 2.50 1.21 0.70 0.00 0.00 175.17 179.64 2rqe n GLU 101 N 3.16 1.92 0.00 2.11 2.13 -1.26 -5.05 120.64 123.64 2rqe n GLU 101 Ca -0.14 -1.53 0.00 0.00 0.66 0.00 0.00 57.16 56.16 2rqe n GLU 101 Cb 0.59 -1.76 0.00 0.00 0.27 0.00 0.00 31.44 30.54 2rqe n GLU 101 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72