#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 0.74 0.52 2.98 0.41 -1.26 -5.03 118.70 117.06 2rqe s GLU 2 Ca 0.00 -1.30 0.00 0.00 -0.41 0.00 0.00 54.97 53.26 2rqe s GLU 2 Cb 0.00 -0.92 0.00 0.00 -1.78 0.00 0.00 34.13 31.43 2rqe s GLU 2 CO 0.00 -1.27 0.00 0.00 -0.49 0.00 0.00 175.26 173.50 2rqe n ALA 3 N 3.69 -1.80 -1.16 5.21 0.00 -1.26 -4.16 120.51 121.02 2rqe n ALA 3 Ca 0.17 0.43 -0.29 0.00 0.00 0.00 0.00 53.44 53.75 2rqe n ALA 3 Cb 0.46 -1.35 0.17 0.00 0.00 0.00 0.00 19.45 18.73 2rqe n ALA 3 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2rqe s PRO 4 N -5.06 0.46 0.18 0.00 0.04 -1.26 -4.92 135.00 124.44 2rqe s PRO 4 Ca 0.00 0.54 -0.30 0.00 0.04 0.00 0.00 61.00 61.28 2rqe s PRO 4 Cb 0.00 -1.74 -0.08 0.00 0.04 0.00 0.00 34.50 32.72 2rqe s PRO 4 CO 0.00 -2.72 1.32 -1.25 0.04 0.00 0.00 177.00 174.39 2rqe s PRO 5 N -4.96 4.38 0.18 0.56 0.04 -1.26 -4.99 135.00 128.95 2rqe s PRO 5 Ca 0.65 2.04 -0.25 0.00 0.04 0.00 0.00 61.00 63.48 2rqe s PRO 5 Cb -0.19 -3.21 -0.08 0.00 0.04 0.00 0.00 34.50 31.06 2rqe s PRO 5 CO 0.58 -0.28 0.79 0.00 0.04 0.00 0.00 177.00 178.13 2rqe s ALA 6 N 0.34 3.43 -1.10 8.56 0.00 -1.26 -4.65 121.76 127.08 2rqe s ALA 6 Ca 0.58 0.38 -0.08 0.00 0.00 0.00 0.00 51.96 52.84 2rqe s ALA 6 Cb -0.36 -2.98 0.28 0.00 0.00 0.00 0.00 23.12 20.06 2rqe s ALA 6 CO 0.36 0.28 1.17 2.41 0.00 0.00 0.00 175.76 179.98 2rqe n THR 7 N 1.47 4.61 -2.51 0.00 -1.04 0.36 -4.99 114.28 112.18 2rqe n THR 7 Ca -0.05 -5.47 -0.43 0.00 -2.04 0.00 0.00 64.05 56.06 2rqe n THR 7 Cb 0.49 -2.48 -0.02 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 -1.59 3.62 0.00 -4.42 1.02 -1.26 -2.96 118.68 113.09 2rqe s LEU 8 Ca 0.31 0.60 0.00 0.00 0.02 0.00 0.00 54.13 55.06 2rqe s LEU 8 Cb -0.07 -3.55 0.00 0.00 0.02 0.00 0.00 46.19 42.59 2rqe s LEU 8 CO -0.05 -1.31 0.00 -0.62 0.02 0.00 0.00 176.35 174.39 2rqe n GLU 9 N 7.91 0.92 -3.39 1.70 -0.58 0.12 -4.75 120.64 122.58 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 0.49 0.00 -0.10 0.00 -0.57 0.00 0.00 31.44 31.26 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 -3.82 1.38 1.03 0.62 0.00 -1.25 -4.62 121.76 115.10 2rqe s ALA 10 Ca 0.00 -2.44 -0.14 0.00 0.00 0.00 0.00 51.96 49.38 2rqe s ALA 10 Cb 0.00 -1.59 0.20 0.00 0.00 0.00 0.00 23.12 21.73 2rqe s ALA 10 CO 0.00 -1.98 1.13 0.42 0.00 0.00 0.00 175.76 175.33 2rqe s ILE 11 N 0.09 1.89 1.16 0.00 -1.09 -1.26 -2.24 121.20 119.76 2rqe s ILE 11 Ca 0.32 0.00 -0.17 0.00 -2.23 0.00 0.00 60.65 58.57 2rqe s ILE 11 Cb 0.03 -2.61 0.19 0.00 -1.58 0.00 0.00 42.46 38.49 2rqe s ILE 11 CO -0.19 0.00 0.34 1.41 -1.23 0.00 0.00 174.94 175.26 2rqe n HIS 12 N -4.19 -1.78 0.49 3.97 8.25 -1.25 -4.64 115.22 116.07 2rqe n HIS 12 Ca 0.08 -0.05 0.00 0.00 -0.26 0.00 0.00 57.72 57.50 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 -3.03 0.49 -0.18 -0.41 -0.04 -1.26 -2.26 135.00 128.32 2rqe n PRO 13 Ca 0.03 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.56 2rqe n PRO 13 Cb 0.57 -1.25 0.10 0.00 -0.04 0.00 0.00 33.50 32.88 2rqe n PRO 13 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 2rqe n LYS 14 N 0.26 0.98 -3.36 0.54 2.85 -1.25 -4.14 118.16 114.05 2rqe n LYS 14 Ca 0.00 -2.16 0.00 0.00 -1.05 0.00 0.00 58.31 55.10 2rqe n LYS 14 Cb 0.12 -1.24 0.00 0.00 -0.65 0.00 0.00 35.03 33.27 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 -1.06 -1.96 3.50 2.58 0.00 0.05 -3.94 105.19 104.35 2rqe n GLY 15 Ca 0.12 -1.41 -0.09 0.00 0.00 0.00 0.00 46.02 44.64 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 0.47 -0.00 0.99 2.96 -1.23 -4.08 118.68 117.78 2rqe s LEU 16 Ca 0.00 -0.86 0.04 0.00 -0.22 0.00 0.00 54.13 53.09 2rqe s LEU 16 Cb 0.00 1.64 -0.01 0.00 0.50 0.00 0.00 46.19 48.32 2rqe s LEU 16 CO 0.00 -1.05 -0.12 -0.60 -1.32 0.00 0.00 176.35 173.25 2rqe s ARG 17 N -3.99 0.96 -0.25 1.98 3.52 -1.26 -0.13 118.95 119.78 2rqe s ARG 17 Ca 0.20 -0.49 -0.02 0.00 -0.13 0.00 0.00 55.73 55.29 2rqe s ARG 17 Cb 0.01 -0.93 0.13 0.00 -1.56 0.00 0.00 34.95 32.60 2rqe s ARG 17 CO 0.05 0.25 0.34 0.08 -0.81 0.00 0.00 175.30 175.21 2rqe s VAL 18 N -0.39 -0.52 0.22 7.11 1.01 -0.34 -0.70 120.40 126.79 2rqe s VAL 18 Ca 0.04 -0.17 0.12 0.00 0.00 0.00 0.00 61.98 61.96 2rqe s VAL 18 Cb -0.05 -0.84 -0.05 0.00 0.00 0.00 0.00 36.38 35.44 2rqe s VAL 18 CO -0.00 -0.21 -0.22 -0.55 0.00 0.00 0.00 175.10 174.11 2rqe s SER 19 N 2.48 3.46 0.02 3.32 0.15 -1.16 -1.93 113.70 120.04 2rqe s SER 19 Ca 0.11 -0.93 -0.08 0.00 0.70 0.00 0.00 55.95 55.75 2rqe s SER 19 Cb -0.15 -0.27 0.00 0.00 -1.71 0.00 0.00 66.02 63.90 2rqe s SER 19 CO -0.20 0.09 0.15 0.68 1.20 0.00 0.00 173.24 175.16 2rqe s VAL 20 N -1.98 0.10 -0.07 4.45 -7.23 -0.72 -0.49 120.40 114.46 2rqe s VAL 20 Ca 0.24 -0.80 -0.30 0.00 -1.81 0.00 0.00 61.98 59.31 2rqe s VAL 20 Cb -0.07 -0.61 -0.05 0.00 0.56 0.00 0.00 36.38 36.21 2rqe s VAL 20 CO 0.12 -0.44 1.50 -2.16 -0.31 0.00 0.00 175.10 173.81 2rqe s PRO 21 N -1.83 4.22 0.06 4.82 0.04 -1.26 -1.55 135.00 139.50 2rqe s PRO 21 Ca -0.11 2.01 -0.30 0.00 0.04 0.00 0.00 61.00 62.64 2rqe s PRO 21 Cb -0.05 -3.83 -0.05 0.00 0.04 0.00 0.00 34.50 30.60 2rqe s PRO 21 CO -0.00 -0.75 1.13 0.34 0.04 0.00 0.00 177.00 177.76 2rqe s ASP 22 N 2.66 7.17 -0.16 6.66 -1.08 -1.25 -4.87 116.67 125.80 2rqe s ASP 22 Ca 0.67 1.94 0.16 0.00 -0.52 0.00 0.00 52.55 54.80 2rqe s ASP 22 Cb -0.30 -2.58 0.35 0.00 -1.46 0.00 0.00 42.92 38.93 2rqe s ASP 22 CO 0.25 -0.39 1.19 1.21 0.52 0.00 0.00 175.17 177.95 2rqe n GLU 23 N 3.70 1.44 0.00 4.34 2.13 -1.26 -4.89 120.64 126.10 2rqe n GLU 23 Ca 0.07 -2.87 0.00 0.00 0.66 0.00 0.00 57.16 55.02 2rqe n GLU 23 Cb 0.47 -1.56 0.00 0.00 0.27 0.00 0.00 31.44 30.63 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 -1.30 1.12 3.48 8.31 0.00 -1.26 -5.01 105.19 110.53 2rqe n GLY 24 Ca 0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.88 2rqe n GLY 24 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2rqe n PHE 25 N -0.72 -0.72 -0.05 1.61 3.72 -1.26 -4.26 117.46 115.77 2rqe n PHE 25 Ca 0.00 0.22 0.00 0.00 -0.05 0.00 0.00 57.45 57.62 2rqe n PHE 25 Cb 0.00 -1.81 0.00 0.00 -0.94 0.00 0.00 39.48 36.73 2rqe n PHE 25 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 2rqe n SER 26 N -2.73 0.06 -3.63 4.37 2.88 0.67 -4.91 113.62 110.33 2rqe n SER 26 Ca 0.07 -0.34 -0.15 0.00 -1.33 0.00 0.00 58.87 57.13 2rqe n SER 26 Cb 0.54 0.45 -0.07 0.00 -0.75 0.00 0.00 64.21 64.38 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 -0.90 -0.55 0.05 2.46 1.98 -1.22 -4.62 118.68 115.87 2rqe s LEU 27 Ca 0.00 1.22 0.02 0.00 -2.89 0.00 0.00 54.13 52.48 2rqe s LEU 27 Cb 0.00 2.32 -0.03 0.00 0.66 0.00 0.00 46.19 49.14 2rqe s LEU 27 CO 0.00 -0.30 -0.08 0.12 -1.89 0.00 0.00 176.35 174.20 2rqe s PHE 28 N 0.07 0.71 -0.02 5.38 2.19 0.77 -1.81 117.98 125.27 2rqe s PHE 28 Ca -0.02 -0.51 -0.01 0.00 0.33 0.00 0.00 56.93 56.71 2rqe s PHE 28 Cb -0.04 -0.42 0.01 0.00 -1.31 0.00 0.00 43.02 41.26 2rqe s PHE 28 CO 0.02 -0.08 0.04 0.00 1.83 0.00 0.00 175.22 177.04 2rqe s ALA 29 N -1.46 -0.07 -0.20 11.12 0.00 0.19 0.19 121.76 131.54 2rqe s ALA 29 Ca -0.09 0.20 0.01 0.00 0.00 0.00 0.00 51.96 52.09 2rqe s ALA 29 Cb -0.09 -0.14 0.03 0.00 0.00 0.00 0.00 23.12 22.91 2rqe s ALA 29 CO 0.00 -0.05 -0.18 -0.06 0.00 0.00 0.00 175.76 175.47 2rqe s PHE 30 N 0.37 2.87 -0.36 0.00 0.40 -0.43 -2.50 117.98 118.33 2rqe s PHE 30 Ca -0.03 -1.73 0.02 0.00 -0.60 0.00 0.00 56.93 54.59 2rqe s PHE 30 Cb -0.04 -1.93 0.15 0.00 0.51 0.00 0.00 43.02 41.71 2rqe s PHE 30 CO -0.01 -0.81 0.33 -1.58 0.70 0.00 0.00 175.22 173.85 2rqe s HIS 31 N 1.27 -0.05 0.30 0.36 2.46 -1.25 -1.85 115.29 116.52 2rqe s HIS 31 Ca 0.03 -1.00 0.01 0.00 0.47 0.00 0.00 55.06 54.56 2rqe s HIS 31 Cb -0.14 -0.53 -0.00 0.00 -0.13 0.00 0.00 32.58 31.77 2rqe s HIS 31 CO -0.11 -0.93 0.37 0.41 -2.47 0.00 0.00 174.74 172.01 2rqe n GLY 32 N 4.23 2.47 0.00 1.59 0.00 -1.26 -3.61 105.19 108.61 2rqe n GLY 32 Ca 0.11 -1.66 0.00 0.00 0.00 0.00 0.00 46.02 44.47 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 -0.51 1.14 -4.17 1.61 5.02 -1.26 -0.77 118.16 119.22 2rqe n LYS 33 Ca 0.02 0.00 -0.16 0.00 -2.02 0.00 0.00 58.31 56.15 2rqe n LYS 33 Cb 0.51 0.00 -0.12 0.00 -0.02 0.00 0.00 35.03 35.40 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 -0.35 -0.35 2.96 -1.26 -4.22 118.68 117.68 2rqe s LEU 34 Ca 0.00 -0.50 0.00 0.00 -0.22 0.00 0.00 54.13 53.41 2rqe s LEU 34 Cb 0.00 -0.37 0.00 0.00 0.50 0.00 0.00 46.19 46.32 2rqe s LEU 34 CO 0.00 -0.09 0.00 0.59 -1.32 0.00 0.00 176.35 175.53 2rqe n ASN 35 N 1.67 -1.34 -3.61 3.68 5.03 -0.95 -4.80 115.26 114.94 2rqe n ASN 35 Ca -0.20 0.23 -0.11 0.00 0.87 0.00 0.00 54.58 55.37 2rqe n ASN 35 Cb 0.55 -1.43 -0.06 0.00 -1.02 0.00 0.00 39.78 37.81 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 -3.50 0.61 0.03 3.52 2.12 -1.26 -5.08 118.70 115.15 2rqe s GLU 36 Ca 0.00 0.52 0.00 0.00 0.36 0.00 0.00 54.97 55.85 2rqe s GLU 36 Cb 0.00 0.30 0.00 0.00 0.26 0.00 0.00 34.13 34.69 2rqe s GLU 36 CO 0.00 -0.12 0.03 -0.85 -0.54 0.00 0.00 175.26 173.79 2rqe n GLU 37 N 1.83 1.24 -4.33 4.30 0.28 -1.26 -4.22 120.64 118.48 2rqe n GLU 37 Ca -0.13 -0.19 -0.21 0.00 -0.16 0.00 0.00 57.16 56.48 2rqe n GLU 37 Cb 0.56 0.01 -0.08 0.00 1.43 0.00 0.00 31.44 33.36 2rqe n GLU 37 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2rqe s MET 38 N -2.14 1.78 1.02 3.44 0.23 -1.26 -5.01 119.30 117.36 2rqe s MET 38 Ca 0.03 -2.04 -0.22 0.00 -1.03 0.00 0.00 55.69 52.42 2rqe s MET 38 Cb -0.00 0.13 -0.05 0.00 -1.53 0.00 0.00 34.83 33.38 2rqe s MET 38 CO 0.02 -0.61 -0.77 0.39 -2.03 0.00 0.00 175.02 172.01 2rqe n GLU 39 N -0.67 -0.77 -0.18 3.16 1.02 -1.26 -4.64 120.64 117.29 2rqe n GLU 39 Ca 0.05 -0.22 0.04 0.00 -0.02 0.00 0.00 57.16 57.01 2rqe n GLU 39 Cb 0.63 -1.29 0.09 0.00 -0.02 0.00 0.00 31.44 30.85 2rqe n GLU 39 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2rqe n GLY 40 N 2.86 -0.81 2.80 0.62 0.00 -1.26 -3.85 105.19 105.56 2rqe n GLY 40 Ca -0.00 0.53 -0.01 0.00 0.00 0.00 0.00 46.02 46.53 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 -9.53 -0.74 0.00 0.99 0.05 -1.26 -4.99 118.68 103.20 2rqe s LEU 41 Ca -0.07 -0.66 0.00 0.00 0.05 0.00 0.00 54.13 53.45 2rqe s LEU 41 Cb 0.14 0.96 0.00 0.00 -2.05 0.00 0.00 46.19 45.24 2rqe s LEU 41 CO 0.39 -0.05 0.00 -1.84 -0.55 0.00 0.00 176.35 174.30 2rqe n GLU 42 N 3.27 2.42 -3.56 1.48 0.28 -1.25 -5.11 120.64 118.16 2rqe n GLU 42 Ca 0.11 0.00 -0.41 0.00 -0.16 0.00 0.00 57.16 56.70 2rqe n GLU 42 Cb 0.61 0.00 -0.10 0.00 1.43 0.00 0.00 31.44 33.38 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 3.33 0.00 -1.84 0.00 -1.26 -4.83 121.76 115.16 2rqe s ALA 43 Ca 0.00 -1.96 0.00 0.00 0.00 0.00 0.00 51.96 50.00 2rqe s ALA 43 Cb 0.00 -2.70 0.00 0.00 0.00 0.00 0.00 23.12 20.42 2rqe s ALA 43 CO 0.00 -1.55 0.00 0.41 0.00 0.00 0.00 175.76 174.62 2rqe n GLY 44 N 5.00 -3.09 0.00 0.00 0.00 -1.24 -4.98 105.19 100.88 2rqe n GLY 44 Ca -0.11 -0.35 -0.00 0.00 0.00 0.00 0.00 46.02 45.56 2rqe n GLY 44 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2rqe n HIS 45 N 0.00 0.00 -0.84 1.61 8.25 -0.81 -4.87 115.22 118.57 2rqe n HIS 45 Ca 0.00 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.12 2rqe n HIS 45 Cb 0.00 -0.05 0.10 0.00 1.12 0.00 0.00 29.99 31.17 2rqe n HIS 45 CO 0.00 0.00 0.00 0.91 0.64 0.00 0.00 176.34 177.89 2rqe n TRP 46 N -2.49 -2.18 -3.40 4.41 8.01 0.05 -4.83 117.44 117.01 2rqe n TRP 46 Ca -0.00 0.23 0.02 0.00 -1.31 0.00 0.00 57.50 56.44 2rqe n TRP 46 Cb 0.01 -1.57 -0.03 0.00 -2.01 0.00 0.00 31.31 27.71 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 -1.56 -0.83 0.09 -0.99 1.04 -1.18 -4.07 113.70 106.19 2rqe s SER 47 Ca 0.49 0.96 -0.26 0.00 0.48 0.00 0.00 55.95 57.62 2rqe s SER 47 Cb -0.12 1.87 0.08 0.00 0.10 0.00 0.00 66.02 67.96 2rqe s SER 47 CO 0.70 -0.16 0.81 -0.60 0.98 0.00 0.00 173.24 174.97 2rqe s ARG 48 N 2.69 1.08 -0.19 4.02 3.00 -0.77 -4.98 118.95 123.80 2rqe s ARG 48 Ca -0.00 -0.46 -0.05 0.00 -1.00 0.00 0.00 55.73 54.22 2rqe s ARG 48 Cb -0.09 0.46 0.07 0.00 0.00 0.00 0.00 34.95 35.38 2rqe s ARG 48 CO -0.18 -0.48 0.09 0.34 0.00 0.00 0.00 175.30 175.07 2rqe s ASP 49 N -2.67 2.59 -0.61 -2.12 2.15 -1.26 -1.31 116.67 113.44 2rqe s ASP 49 Ca 0.06 -0.74 -0.26 0.00 0.43 0.00 0.00 52.55 52.03 2rqe s ASP 49 Cb -0.01 -0.29 0.04 0.00 -0.30 0.00 0.00 42.92 42.35 2rqe s ASP 49 CO -0.07 -0.36 1.10 -0.63 -0.17 0.00 0.00 175.17 175.04 2rqe s ILE 50 N 2.10 4.11 -0.32 4.11 -1.09 0.51 -4.88 121.20 125.75 2rqe s ILE 50 Ca 0.03 0.47 0.04 0.00 -2.23 0.00 0.00 60.65 58.96 2rqe s ILE 50 Cb -0.16 -4.70 0.42 0.00 -1.58 0.00 0.00 42.46 36.44 2rqe s ILE 50 CO -0.13 -1.38 1.49 0.35 -1.23 0.00 0.00 174.94 174.04 2rqe n THR 51 N 6.38 2.20 0.00 2.92 -2.24 -1.26 -0.16 114.28 122.11 2rqe n THR 51 Ca 0.04 -1.09 0.00 0.00 -2.27 0.00 0.00 64.05 60.73 2rqe n THR 51 Cb 0.48 -0.62 0.00 0.00 -2.10 0.00 0.00 70.33 68.09 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 -0.32 0.00 -1.07 -0.78 5.02 -1.26 -4.93 118.16 114.82 2rqe n LYS 52 Ca 0.32 0.00 -0.30 0.00 -2.02 0.00 0.00 58.31 56.31 2rqe n LYS 52 Cb 1.13 0.00 0.24 0.00 -0.02 0.00 0.00 35.03 36.39 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 -1.08 -1.32 -0.09 1.97 0.04 -1.26 -4.91 135.00 128.35 2rqe s PRO 53 Ca 0.00 -0.10 -0.08 0.00 0.04 0.00 0.00 61.00 60.86 2rqe s PRO 53 Cb 0.00 -1.59 -0.04 0.00 0.04 0.00 0.00 34.50 32.91 2rqe s PRO 53 CO 0.00 -3.77 -0.18 1.17 0.04 0.00 0.00 177.00 174.26 2rqe n LYS 54 N -4.80 0.28 -3.11 4.56 4.81 -0.42 -4.95 118.16 114.54 2rqe n LYS 54 Ca 0.14 0.12 -0.19 0.00 -0.87 0.00 0.00 58.31 57.51 2rqe n LYS 54 Cb 0.60 -0.98 -0.05 0.00 0.02 0.00 0.00 35.03 34.62 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 -3.83 -1.26 0.00 3.14 4.13 -1.26 -4.91 115.26 111.28 2rqe n ASN 55 Ca -0.16 -2.72 0.00 0.00 1.68 0.00 0.00 54.58 53.38 2rqe n ASN 55 Cb 0.46 0.25 0.00 0.00 -1.54 0.00 0.00 39.78 38.94 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 2.25 2.95 3.26 7.41 0.00 -1.26 -4.94 105.19 114.87 2rqe n GLY 56 Ca 0.22 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.09 2rqe n GLY 56 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2rqe s ARG 57 N -0.10 1.38 -0.65 1.61 1.70 -1.26 -3.80 118.95 117.83 2rqe s ARG 57 Ca 0.00 -1.76 -0.19 0.00 -0.47 0.00 0.00 55.73 53.31 2rqe s ARG 57 Cb 0.00 0.09 0.11 0.00 -0.57 0.00 0.00 34.95 34.58 2rqe s ARG 57 CO 0.00 -0.41 0.79 -1.58 -1.08 0.00 0.00 175.30 173.02 2rqe s TRP 58 N -3.89 3.01 0.07 5.89 0.52 -0.60 -1.30 118.94 122.65 2rqe s TRP 58 Ca 0.38 -1.01 0.00 0.00 0.02 0.00 0.00 56.10 55.50 2rqe s TRP 58 Cb 0.06 -4.07 -0.04 0.00 -1.15 0.00 0.00 33.47 28.27 2rqe s TRP 58 CO 0.15 -1.35 0.22 0.42 0.02 0.00 0.00 176.95 176.41 2rqe s ILE 59 N 2.74 5.38 -0.02 2.03 1.01 -1.26 -1.76 121.20 129.32 2rqe s ILE 59 Ca 0.15 -0.43 -0.09 0.00 0.00 0.00 0.00 60.65 60.29 2rqe s ILE 59 Cb -0.20 -3.65 0.01 0.00 0.01 0.00 0.00 42.46 38.63 2rqe s ILE 59 CO 0.04 0.11 0.20 0.12 0.00 0.00 0.00 174.94 175.41 2rqe s PHE 60 N -1.54 -0.08 -0.03 3.97 5.36 -0.81 -4.83 117.98 120.02 2rqe s PHE 60 Ca 0.35 0.13 -0.00 0.00 -0.96 0.00 0.00 56.93 56.45 2rqe s PHE 60 Cb -0.13 0.02 0.03 0.00 -0.34 0.00 0.00 43.02 42.60 2rqe s PHE 60 CO 0.28 -0.27 0.03 1.03 -1.46 0.00 0.00 175.22 174.83 2rqe s ARG 61 N -0.99 0.06 0.60 10.12 3.00 -1.26 -1.20 118.95 129.28 2rqe s ARG 61 Ca -0.11 0.20 0.08 0.00 0.00 0.00 0.00 55.73 55.90 2rqe s ARG 61 Cb -0.06 -0.39 0.10 0.00 0.00 0.00 0.00 34.95 34.61 2rqe s ARG 61 CO 0.02 -0.20 0.83 -3.47 0.00 0.00 0.00 175.30 172.48 2rqe n ASP 62 N 4.45 1.94 -0.31 0.23 2.03 0.81 -4.93 116.55 120.78 2rqe n ASP 62 Ca -0.22 -2.45 0.00 0.00 0.52 0.00 0.00 54.79 52.65 2rqe n ASP 62 Cb 0.50 -0.46 0.00 0.00 -0.72 0.00 0.00 41.12 40.44 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 -2.36 0.00 0.00 -0.67 1.74 -1.26 -3.56 116.66 110.55 2rqe n ARG 63 Ca 0.16 -0.58 0.00 0.00 -0.77 0.00 0.00 57.85 56.66 2rqe n ARG 63 Cb 0.59 -0.36 0.00 0.00 -1.02 0.00 0.00 32.46 31.67 2rqe n ARG 63 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2rqe n ASN 64 N 0.00 0.56 -4.41 0.55 3.02 -1.25 -4.47 115.26 109.25 2rqe n ASN 64 Ca 0.00 -1.23 -0.44 0.00 -0.03 0.00 0.00 54.58 52.88 2rqe n ASN 64 Cb 0.59 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.70 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 -0.23 3.40 -1.05 5.41 0.00 -1.26 -4.83 121.76 123.21 2rqe s ALA 65 Ca 0.00 -1.95 -0.11 0.00 0.00 0.00 0.00 51.96 49.89 2rqe s ALA 65 Cb 0.00 -3.41 0.25 0.00 0.00 0.00 0.00 23.12 19.96 2rqe s ALA 65 CO 0.00 -2.13 1.06 0.00 0.00 0.00 0.00 175.76 174.68 2rqe s ALA 66 N 2.61 4.46 0.40 0.00 0.00 -1.26 -0.77 121.76 127.20 2rqe s ALA 66 Ca 0.13 -3.63 0.05 0.00 0.00 0.00 0.00 51.96 48.51 2rqe s ALA 66 Cb -0.21 -3.63 -0.06 0.00 0.00 0.00 0.00 23.12 19.21 2rqe s ALA 66 CO 0.09 -2.31 0.03 -0.48 0.00 0.00 0.00 175.76 173.09 2rqe s LEU 67 N -0.49 2.59 -0.22 0.00 2.34 -1.26 -4.94 118.68 116.70 2rqe s LEU 67 Ca 0.29 -1.43 -0.24 0.00 0.06 0.00 0.00 54.13 52.81 2rqe s LEU 67 Cb -0.09 -0.72 0.06 0.00 -0.56 0.00 0.00 46.19 44.89 2rqe s LEU 67 CO -0.08 -0.57 0.66 -1.59 -1.06 0.00 0.00 176.35 173.71 2rqe s LYS 68 N -3.78 0.81 -0.15 1.48 0.00 -1.26 -4.05 119.74 112.80 2rqe s LYS 68 Ca 0.31 0.80 -0.14 0.00 0.00 0.00 0.00 55.97 56.94 2rqe s LYS 68 Cb 0.08 0.39 -0.06 0.00 0.00 0.00 0.00 37.83 38.25 2rqe s LYS 68 CO 0.15 -0.13 0.51 -0.89 0.00 0.00 0.00 175.35 175.00 2rqe n ILE 69 N 2.44 0.00 0.00 3.79 2.08 -1.26 -1.67 119.36 124.73 2rqe n ILE 69 Ca -0.15 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.16 2rqe n ILE 69 Cb 0.56 -0.15 0.00 0.00 -0.75 0.00 0.00 39.64 39.30 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 1.42 2.03 0.00 7.39 0.00 -1.14 -5.08 105.19 109.81 2rqe n GLY 70 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 -0.41 -3.87 1.61 8.00 -0.67 -4.81 116.55 116.39 2rqe n ASP 71 Ca 0.00 -0.59 -0.09 0.00 0.71 0.00 0.00 54.79 54.81 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 -2.39 1.30 0.02 -1.24 1.02 -1.26 -2.19 119.74 114.99 2rqe s LYS 72 Ca 0.00 -1.05 -0.02 0.00 0.02 0.00 0.00 55.97 54.92 2rqe s LYS 72 Cb 0.00 0.45 -0.02 0.00 -0.52 0.00 0.00 37.83 37.74 2rqe s LYS 72 CO 0.00 -0.52 0.01 0.42 -0.92 0.00 0.00 175.35 174.35 2rqe s ILE 73 N -3.93 0.11 -0.28 2.17 1.01 0.50 -2.25 121.20 118.53 2rqe s ILE 73 Ca 0.14 -0.95 0.01 0.00 0.00 0.00 0.00 60.65 59.85 2rqe s ILE 73 Cb 0.01 -0.44 0.15 0.00 0.01 0.00 0.00 42.46 42.19 2rqe s ILE 73 CO -0.00 -0.52 0.36 -0.31 0.00 0.00 0.00 174.94 174.47 2rqe s TYR 74 N -1.72 -0.80 0.00 3.97 2.02 -1.26 -0.56 117.35 119.00 2rqe s TYR 74 Ca -0.13 0.20 0.00 0.00 -0.37 0.00 0.00 57.07 56.77 2rqe s TYR 74 Cb -0.07 -0.25 0.00 0.00 -0.40 0.00 0.00 41.96 41.24 2rqe s TYR 74 CO -0.01 -0.93 0.00 1.97 -1.57 0.00 0.00 175.55 175.00 2rqe n PHE 75 N 5.34 -0.63 -3.83 2.71 -1.74 -1.26 -4.23 117.46 113.82 2rqe n PHE 75 Ca -0.01 0.00 -0.12 0.00 -0.56 0.00 0.00 57.45 56.76 2rqe n PHE 75 Cb 0.48 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 -1.58 -0.56 0.00 0.00 176.76 174.62 2rqe s TRP 76 N -6.79 -0.06 0.20 2.97 0.52 -1.25 -3.21 118.94 111.32 2rqe s TRP 76 Ca 0.00 0.09 0.09 0.00 0.02 0.00 0.00 56.10 56.30 2rqe s TRP 76 Cb 0.00 0.01 -0.04 0.00 -1.15 0.00 0.00 33.47 32.29 2rqe s TRP 76 CO 0.00 -0.30 -0.10 0.95 0.02 0.00 0.00 176.95 177.52 2rqe s THR 77 N -1.17 3.11 0.02 2.01 -4.23 -1.25 -3.97 115.64 110.16 2rqe s THR 77 Ca -0.12 -1.78 0.08 0.00 -1.18 0.00 0.00 61.69 58.69 2rqe s THR 77 Cb -0.06 -2.56 -0.02 0.00 1.34 0.00 0.00 72.50 71.20 2rqe s THR 77 CO 0.02 -0.17 -0.24 0.12 -0.54 0.00 0.00 174.62 173.82 2rqe s PHE 78 N -1.85 2.10 0.22 3.99 2.19 -1.04 -0.57 117.98 123.02 2rqe s PHE 78 Ca 0.26 -0.40 -0.03 0.00 0.33 0.00 0.00 56.93 57.09 2rqe s PHE 78 Cb -0.08 -1.29 -0.03 0.00 -1.31 0.00 0.00 43.02 40.31 2rqe s PHE 78 CO 0.15 0.06 0.22 0.14 1.83 0.00 0.00 175.22 177.62 2rqe s VAL 79 N -0.71 0.00 -0.32 3.12 -7.23 0.38 -0.64 120.40 115.00 2rqe s VAL 79 Ca 0.10 -1.87 0.01 0.00 -1.81 0.00 0.00 61.98 58.41 2rqe s VAL 79 Cb -0.09 -2.44 0.14 0.00 0.56 0.00 0.00 36.38 34.54 2rqe s VAL 79 CO 0.01 0.00 0.31 -0.63 -0.31 0.00 0.00 175.10 174.47 2rqe s ILE 80 N -4.06 -0.32 -0.02 -0.62 1.01 -0.75 -1.11 121.20 115.33 2rqe s ILE 80 Ca 0.35 -0.75 0.04 0.00 0.00 0.00 0.00 60.65 60.29 2rqe s ILE 80 Cb 0.05 -0.90 -0.03 0.00 0.01 0.00 0.00 42.46 41.60 2rqe s ILE 80 CO 0.12 -0.56 -0.14 -0.75 0.00 0.00 0.00 174.94 173.61 2rqe s LYS 81 N 1.95 2.42 -1.02 2.79 2.20 -1.26 -0.24 119.74 126.58 2rqe s LYS 81 Ca 0.12 -0.76 -0.04 0.00 -0.36 0.00 0.00 55.97 54.93 2rqe s LYS 81 Cb -0.15 -2.35 0.03 0.00 -1.51 0.00 0.00 37.83 33.85 2rqe s LYS 81 CO -0.21 0.60 0.21 -0.25 -0.36 0.00 0.00 175.35 175.34 2rqe n ASP 82 N 2.06 -3.43 -2.43 1.43 9.92 -1.26 0.18 116.55 123.02 2rqe n ASP 82 Ca -0.17 -0.03 -0.18 0.00 -0.53 0.00 0.00 54.79 53.88 2rqe n ASP 82 Cb 0.52 -2.90 -0.01 0.00 -0.64 0.00 0.00 41.12 38.10 2rqe n ASP 82 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2rqe n GLY 83 N -0.92 -0.50 0.05 0.44 0.00 -1.26 -4.88 105.19 98.12 2rqe n GLY 83 Ca -0.07 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.96 1.22 0.00 0.99 4.77 0.13 -5.12 117.00 116.01 2rqe n LEU 84 Ca -0.21 0.30 0.00 0.00 -0.03 0.00 0.00 56.01 56.07 2rqe n LEU 84 Cb 0.66 -0.68 0.00 0.00 -2.33 0.00 0.00 43.42 41.07 2rqe n LEU 84 CO 0.25 -0.40 0.00 0.61 -1.33 0.00 0.00 177.39 176.53 2rqe n GLY 85 N 1.53 1.16 3.66 -0.72 0.00 -1.25 -4.94 105.19 104.63 2rqe n GLY 85 Ca -0.08 -0.91 -0.29 0.00 0.00 0.00 0.00 46.02 44.75 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 2.39 -0.29 1.61 1.51 -0.26 -4.96 117.35 117.35 2rqe s TYR 86 Ca 0.00 -0.72 -0.17 0.00 -1.01 0.00 0.00 57.07 55.17 2rqe s TYR 86 Cb 0.00 -1.76 0.16 0.00 -0.11 0.00 0.00 41.96 40.25 2rqe s TYR 86 CO 0.00 0.38 1.05 0.50 -1.11 0.00 0.00 175.55 176.37 2rqe s ARG 87 N -3.76 0.31 0.69 -0.62 3.52 -1.26 -0.47 118.95 117.36 2rqe s ARG 87 Ca 0.30 0.52 -0.12 0.00 -0.13 0.00 0.00 55.73 56.30 2rqe s ARG 87 Cb 0.08 0.08 0.01 0.00 -1.56 0.00 0.00 34.95 33.55 2rqe s ARG 87 CO 0.15 -0.06 1.06 -1.14 -0.81 0.00 0.00 175.30 174.51 2rqe s GLN 88 N 1.14 2.92 0.00 5.12 2.00 0.27 -4.70 119.66 126.40 2rqe s GLN 88 Ca -0.07 1.04 0.00 0.00 -2.00 0.00 0.00 55.36 54.32 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 -1.12 0.00 -3.47 -0.50 0.00 0.00 175.29 170.07 2rqe n ASP 89 N -2.97 0.00 0.00 6.67 2.03 -1.26 -3.94 116.55 117.08 2rqe n ASP 89 Ca 0.08 -0.41 0.00 0.00 0.52 0.00 0.00 54.79 54.98 2rqe n ASP 89 Cb 0.53 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.93 2rqe n ASP 89 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 2rqe n ASN 90 N -1.20 0.00 -3.48 1.67 2.85 -1.26 -4.67 115.26 109.17 2rqe n ASN 90 Ca 0.00 0.00 -0.15 0.00 -0.11 0.00 0.00 54.58 54.32 2rqe n ASN 90 Cb 0.00 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.02 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 -1.25 3.33 8.20 0.00 -1.20 -4.91 105.19 109.38 2rqe n GLY 91 Ca 0.00 0.58 0.02 0.00 0.00 0.00 0.00 46.02 46.63 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 -4.06 0.29 -0.24 1.61 2.12 -1.20 -4.31 118.70 112.90 2rqe s GLU 92 Ca 0.02 0.67 -0.07 0.00 0.36 0.00 0.00 54.97 55.94 2rqe s GLU 92 Cb -0.00 0.40 0.11 0.00 0.26 0.00 0.00 34.13 34.90 2rqe s GLU 92 CO 0.84 -0.15 0.51 -1.58 -0.54 0.00 0.00 175.26 174.33 2rqe s TRP 93 N 2.57 -1.04 -0.04 5.30 0.51 0.28 -4.97 118.94 121.56 2rqe s TRP 93 Ca -0.01 1.76 -0.22 0.00 -2.12 0.00 0.00 56.10 55.51 2rqe s TRP 93 Cb -0.07 0.47 -0.04 0.00 -0.81 0.00 0.00 33.47 33.01 2rqe s TRP 93 CO -0.16 -0.59 0.65 0.99 -0.51 0.00 0.00 176.95 177.33 2rqe s THR 94 N 2.72 4.98 -0.26 2.01 2.01 -1.26 -0.37 115.64 125.48 2rqe s THR 94 Ca -0.01 1.36 -0.29 0.00 0.31 0.00 0.00 61.69 63.06 2rqe s THR 94 Cb -0.12 -3.99 -0.03 0.00 0.01 0.00 0.00 72.50 68.36 2rqe s THR 94 CO -0.16 0.32 1.79 -0.69 -0.69 0.00 0.00 174.62 175.20 2rqe s VAL 95 N 0.38 3.48 -0.01 3.82 1.01 -0.93 -4.79 120.40 123.36 2rqe s VAL 95 Ca 0.34 0.51 0.01 0.00 0.00 0.00 0.00 61.98 62.85 2rqe s VAL 95 Cb -0.18 -3.56 0.01 0.00 0.00 0.00 0.00 36.38 32.65 2rqe s VAL 95 CO 0.18 -0.30 0.79 -0.62 0.00 0.00 0.00 175.10 175.15 2rqe n GLU 96 N 8.14 1.50 -3.91 2.72 -0.58 -1.26 -2.87 120.64 124.38 2rqe n GLU 96 Ca 0.22 -1.10 -0.23 0.00 -0.42 0.00 0.00 57.16 55.63 2rqe n GLU 96 Cb 0.46 -0.79 -0.05 0.00 -0.57 0.00 0.00 31.44 30.49 2rqe n GLU 96 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2rqe n GLY 97 N -0.31 3.67 3.34 0.62 0.00 -1.26 -5.06 105.19 106.18 2rqe n GLY 97 Ca 0.01 -2.26 -0.13 0.00 0.00 0.00 0.00 46.02 43.64 2rqe n GLY 97 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2rqe s PHE 98 N -2.42 -0.29 0.14 1.61 5.36 -1.26 -3.84 117.98 117.27 2rqe s PHE 98 Ca 0.04 0.22 -0.13 0.00 -0.96 0.00 0.00 56.93 56.09 2rqe s PHE 98 Cb 0.00 0.26 0.05 0.00 -0.34 0.00 0.00 43.02 42.99 2rqe s PHE 98 CO 0.03 -0.61 0.65 1.33 -1.46 0.00 0.00 175.22 175.15 2rqe n VAL 99 N 0.34 0.00 -3.70 3.12 0.24 -0.95 -4.58 118.33 112.80 2rqe n VAL 99 Ca -0.18 -0.40 -0.11 0.00 -2.04 0.00 0.00 64.34 61.61 2rqe n VAL 99 Cb 0.61 0.52 -0.10 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 -2.55 -0.52 -0.72 -1.34 1.01 -1.26 -3.97 116.67 107.33 2rqe s ASP 100 Ca 0.14 0.91 -0.01 0.00 0.71 0.00 0.00 52.55 54.30 2rqe s ASP 100 Cb -0.02 0.82 0.40 0.00 1.01 0.00 0.00 42.92 45.13 2rqe s ASP 100 CO 0.04 -0.18 1.90 1.21 0.21 0.00 0.00 175.17 178.35 2rqe n GLU 101 N 3.90 2.84 0.00 8.23 2.13 -1.26 -5.04 120.64 131.44 2rqe n GLU 101 Ca -0.21 -3.57 0.00 0.00 0.66 0.00 0.00 57.16 54.04 2rqe n GLU 101 Cb 0.56 -2.28 0.00 0.00 0.27 0.00 0.00 31.44 29.99 2rqe n GLU 101 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72