#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 0.39 -1.72 2.98 -0.58 -1.26 -5.04 120.64 115.40 2rqe n GLU 2 Ca 0.00 -3.09 0.00 0.00 -0.42 0.00 0.00 57.16 53.65 2rqe n GLU 2 Cb 0.00 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.37 2rqe n GLU 2 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2rqe n ALA 3 N 2.34 -2.00 -1.20 0.62 0.00 -1.26 -4.36 120.51 114.65 2rqe n ALA 3 Ca 0.26 0.50 -0.30 0.00 0.00 0.00 0.00 53.44 53.90 2rqe n ALA 3 Cb 0.50 -1.50 0.14 0.00 0.00 0.00 0.00 19.45 18.60 2rqe n ALA 3 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2rqe s PRO 4 N -3.91 1.18 0.18 0.00 0.04 -1.26 -4.88 135.00 126.35 2rqe s PRO 4 Ca 0.00 0.79 -0.30 0.00 0.04 0.00 0.00 61.00 61.53 2rqe s PRO 4 Cb 0.00 -1.80 -0.08 0.00 0.04 0.00 0.00 34.50 32.65 2rqe s PRO 4 CO 0.00 -2.29 1.31 -1.25 0.04 0.00 0.00 177.00 174.82 2rqe s PRO 5 N -4.94 4.38 0.29 0.56 0.04 -1.26 -4.95 135.00 129.12 2rqe s PRO 5 Ca 0.64 2.04 -0.24 0.00 0.04 0.00 0.00 61.00 63.47 2rqe s PRO 5 Cb -0.18 -3.21 -0.09 0.00 0.04 0.00 0.00 34.50 31.06 2rqe s PRO 5 CO 0.57 -0.28 0.88 0.00 0.04 0.00 0.00 177.00 178.21 2rqe s ALA 6 N 0.29 3.27 -1.11 8.56 0.00 -1.26 -4.56 121.76 126.95 2rqe s ALA 6 Ca 0.58 0.43 -0.08 0.00 0.00 0.00 0.00 51.96 52.89 2rqe s ALA 6 Cb -0.36 -3.08 0.29 0.00 0.00 0.00 0.00 23.12 19.96 2rqe s ALA 6 CO 0.37 0.22 1.23 2.41 0.00 0.00 0.00 175.76 179.99 2rqe n THR 7 N 0.66 4.80 -2.25 0.00 -1.04 0.10 -4.99 114.28 111.56 2rqe n THR 7 Ca 0.00 -5.54 -0.43 0.00 -2.04 0.00 0.00 64.05 56.05 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 -1.69 3.56 0.00 -4.42 1.02 -1.26 -3.13 118.68 112.75 2rqe s LEU 8 Ca 0.31 0.95 -0.03 0.00 0.02 0.00 0.00 54.13 55.38 2rqe s LEU 8 Cb -0.06 -3.52 0.06 0.00 0.02 0.00 0.00 46.19 42.69 2rqe s LEU 8 CO -0.02 -1.52 0.35 -0.62 0.02 0.00 0.00 176.35 174.56 2rqe n GLU 9 N 8.19 -0.01 -3.63 1.70 -0.58 0.30 -4.72 120.64 121.89 2rqe n GLU 9 Ca 0.18 -0.71 -0.28 0.00 -0.42 0.00 0.00 57.16 55.93 2rqe n GLU 9 Cb 0.48 -0.31 -0.11 0.00 -0.57 0.00 0.00 31.44 30.93 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 -3.46 2.53 1.06 0.62 0.00 -1.25 -4.49 121.76 116.77 2rqe s ALA 10 Ca 0.21 -3.10 -0.14 0.00 0.00 0.00 0.00 51.96 48.93 2rqe s ALA 10 Cb -0.01 -1.86 0.22 0.00 0.00 0.00 0.00 23.12 21.47 2rqe s ALA 10 CO 0.15 -2.03 1.10 0.42 0.00 0.00 0.00 175.76 175.40 2rqe s ILE 11 N -0.64 1.89 1.16 0.00 -1.09 -1.26 -2.09 121.20 119.16 2rqe s ILE 11 Ca 0.29 0.00 -0.17 0.00 -2.23 0.00 0.00 60.65 58.53 2rqe s ILE 11 Cb -0.00 -2.51 0.18 0.00 -1.58 0.00 0.00 42.46 38.54 2rqe s ILE 11 CO -0.18 0.00 0.31 1.41 -1.23 0.00 0.00 174.94 175.25 2rqe n HIS 12 N -4.34 -1.73 0.49 3.97 8.25 -1.22 -4.68 115.22 115.95 2rqe n HIS 12 Ca 0.08 -0.03 0.00 0.00 -0.26 0.00 0.00 57.72 57.50 2rqe n HIS 12 Cb 0.58 -1.54 0.00 0.00 1.12 0.00 0.00 29.99 30.15 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 -2.97 0.49 -0.42 -0.41 -0.04 -1.26 -2.35 135.00 128.03 2rqe n PRO 13 Ca 0.02 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.55 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 0.28 0.92 -2.82 0.54 2.85 -1.25 -4.19 118.16 114.49 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 0.13 -1.14 0.00 0.00 -0.65 0.00 0.00 35.03 33.37 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 -0.85 -1.58 3.27 2.58 0.00 -0.09 -4.22 105.19 104.31 2rqe n GLY 15 Ca 0.12 -1.50 -0.09 0.00 0.00 0.00 0.00 46.02 44.55 2rqe n GLY 15 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2rqe s LEU 16 N 0.00 0.97 -0.02 0.99 2.96 -1.24 -4.10 118.68 118.24 2rqe s LEU 16 Ca 0.00 -0.56 0.05 0.00 -0.22 0.00 0.00 54.13 53.40 2rqe s LEU 16 Cb 0.00 1.37 -0.01 0.00 0.50 0.00 0.00 46.19 48.05 2rqe s LEU 16 CO 0.00 -0.80 -0.18 -0.60 -1.32 0.00 0.00 176.35 173.45 2rqe s ARG 17 N -3.86 1.55 -0.27 1.98 3.52 -1.26 0.02 118.95 120.64 2rqe s ARG 17 Ca 0.06 -0.64 -0.01 0.00 -0.13 0.00 0.00 55.73 55.01 2rqe s ARG 17 Cb 0.03 -1.46 0.13 0.00 -1.56 0.00 0.00 34.95 32.10 2rqe s ARG 17 CO -0.10 0.36 0.33 0.08 -0.81 0.00 0.00 175.30 175.16 2rqe s VAL 18 N -0.32 -0.48 0.28 7.11 1.01 -0.34 -0.54 120.40 127.11 2rqe s VAL 18 Ca 0.05 -0.30 0.10 0.00 0.00 0.00 0.00 61.98 61.82 2rqe s VAL 18 Cb -0.08 -0.90 -0.04 0.00 0.00 0.00 0.00 36.38 35.35 2rqe s VAL 18 CO -0.00 -0.31 -0.02 -0.55 0.00 0.00 0.00 175.10 174.21 2rqe s SER 19 N 2.43 4.38 0.02 3.32 0.15 -1.18 -2.18 113.70 120.64 2rqe s SER 19 Ca 0.10 -0.74 -0.02 0.00 0.70 0.00 0.00 55.95 55.99 2rqe s SER 19 Cb -0.14 -0.73 -0.02 0.00 -1.71 0.00 0.00 66.02 63.42 2rqe s SER 19 CO -0.25 -0.03 0.02 0.68 1.20 0.00 0.00 173.24 174.86 2rqe s VAL 20 N -2.37 0.12 -0.05 4.45 -7.23 -0.67 0.03 120.40 114.68 2rqe s VAL 20 Ca 0.32 -0.99 -0.30 0.00 -1.81 0.00 0.00 61.98 59.20 2rqe s VAL 20 Cb -0.05 -0.52 -0.05 0.00 0.56 0.00 0.00 36.38 36.32 2rqe s VAL 20 CO 0.19 -0.54 1.49 -2.16 -0.31 0.00 0.00 175.10 173.77 2rqe s PRO 21 N -1.87 4.23 -0.49 4.82 0.04 -1.26 -2.13 135.00 138.33 2rqe s PRO 21 Ca -0.12 2.02 -0.22 0.00 0.04 0.00 0.00 61.00 62.71 2rqe s PRO 21 Cb -0.06 -3.77 0.04 0.00 0.04 0.00 0.00 34.50 30.74 2rqe s PRO 21 CO -0.02 -0.72 0.79 0.34 0.04 0.00 0.00 177.00 177.44 2rqe s ASP 22 N 2.50 6.35 0.00 6.66 2.15 -1.26 -4.86 116.67 128.21 2rqe s ASP 22 Ca 0.66 -0.35 0.25 0.00 0.43 0.00 0.00 52.55 53.54 2rqe s ASP 22 Cb -0.31 -2.38 0.38 0.00 -0.30 0.00 0.00 42.92 40.32 2rqe s ASP 22 CO 0.26 -1.00 1.34 -0.62 -0.17 0.00 0.00 175.17 174.98 2rqe n GLU 23 N 6.81 1.32 0.00 4.34 1.02 -1.26 -4.82 120.64 128.05 2rqe n GLU 23 Ca 0.00 -0.98 0.00 0.00 -0.02 0.00 0.00 57.16 56.16 2rqe n GLU 23 Cb 0.47 -1.48 0.00 0.00 -0.02 0.00 0.00 31.44 30.41 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 1.36 0.00 3.89 0.62 0.00 -1.26 -5.15 105.19 104.64 2rqe n GLY 24 Ca 0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 2rqe n GLY 24 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2rqe s PHE 25 N 0.00 3.28 0.00 1.61 0.08 -1.26 -4.18 117.98 117.51 2rqe s PHE 25 Ca 0.00 1.01 0.00 0.00 0.12 0.00 0.00 56.93 58.06 2rqe s PHE 25 Cb 0.00 -3.11 0.00 0.00 -0.57 0.00 0.00 43.02 39.34 2rqe s PHE 25 CO 0.00 -1.24 0.00 0.45 -0.10 0.00 0.00 175.22 174.33 2rqe n SER 26 N -3.03 0.54 -3.68 1.36 2.88 0.86 -4.92 113.62 107.63 2rqe n SER 26 Ca 0.07 -0.29 -0.14 0.00 -1.33 0.00 0.00 58.87 57.18 2rqe n SER 26 Cb 0.58 0.70 -0.08 0.00 -0.75 0.00 0.00 64.21 64.65 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 -1.50 -0.14 0.03 2.46 1.98 -1.22 -4.56 118.68 115.73 2rqe s LEU 27 Ca 0.00 1.06 0.03 0.00 -2.89 0.00 0.00 54.13 52.33 2rqe s LEU 27 Cb 0.00 1.94 -0.02 0.00 0.66 0.00 0.00 46.19 48.77 2rqe s LEU 27 CO 0.00 -0.23 -0.10 0.12 -1.89 0.00 0.00 176.35 174.24 2rqe s PHE 28 N 0.12 0.88 0.09 5.38 5.36 0.12 -2.02 117.98 127.92 2rqe s PHE 28 Ca -0.01 -0.36 0.03 0.00 -0.96 0.00 0.00 56.93 55.63 2rqe s PHE 28 Cb -0.04 -0.53 -0.04 0.00 -0.34 0.00 0.00 43.02 42.08 2rqe s PHE 28 CO 0.02 -0.01 -0.09 0.00 -1.46 0.00 0.00 175.22 173.67 2rqe s ALA 29 N -0.93 1.06 -0.05 11.12 0.00 -0.01 0.82 121.76 133.78 2rqe s ALA 29 Ca -0.03 -1.19 -0.02 0.00 0.00 0.00 0.00 51.96 50.73 2rqe s ALA 29 Cb -0.08 0.05 0.03 0.00 0.00 0.00 0.00 23.12 23.13 2rqe s ALA 29 CO 0.01 -0.07 0.08 0.12 0.00 0.00 0.00 175.76 175.90 2rqe s PHE 30 N -2.57 -0.02 -0.36 0.00 2.19 0.82 -3.45 117.98 114.60 2rqe s PHE 30 Ca 0.06 0.31 0.05 0.00 0.33 0.00 0.00 56.93 57.67 2rqe s PHE 30 Cb -0.02 -0.33 0.17 0.00 -1.31 0.00 0.00 43.02 41.53 2rqe s PHE 30 CO -0.01 -0.18 0.48 -1.01 1.83 0.00 0.00 175.22 176.33 2rqe s HIS 31 N 1.79 -1.01 0.25 10.12 3.76 -1.25 -1.04 115.29 127.91 2rqe s HIS 31 Ca -0.01 -0.09 0.01 0.00 -0.15 0.00 0.00 55.06 54.83 2rqe s HIS 31 Cb -0.12 -0.08 -0.00 0.00 1.11 0.00 0.00 32.58 33.49 2rqe s HIS 31 CO -0.04 -1.05 0.31 0.41 -0.85 0.00 0.00 174.74 173.53 2rqe n GLY 32 N 4.65 2.64 0.00 -2.22 0.00 -1.23 -3.94 105.19 105.09 2rqe n GLY 32 Ca 0.08 -1.64 0.00 0.00 0.00 0.00 0.00 46.02 44.46 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 -0.44 0.44 -4.34 1.61 5.02 -1.26 -0.30 118.16 118.89 2rqe n LYS 33 Ca 0.02 0.00 -0.19 0.00 -2.02 0.00 0.00 58.31 56.12 2rqe n LYS 33 Cb 0.44 0.00 -0.14 0.00 -0.02 0.00 0.00 35.03 35.31 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 2.12 -1.26 -0.35 2.96 -1.26 -4.10 118.68 116.78 2rqe s LEU 34 Ca 0.00 -0.35 -0.16 0.00 -0.22 0.00 0.00 54.13 53.40 2rqe s LEU 34 Cb 0.00 -0.51 0.16 0.00 0.50 0.00 0.00 46.19 46.34 2rqe s LEU 34 CO 0.00 0.04 0.40 0.59 -1.32 0.00 0.00 176.35 176.06 2rqe n ASN 35 N 2.25 -1.43 -3.64 3.68 3.02 -1.19 -4.84 115.26 113.11 2rqe n ASN 35 Ca -0.17 -0.73 -0.14 0.00 -0.03 0.00 0.00 54.58 53.51 2rqe n ASN 35 Cb 0.55 -1.28 -0.07 0.00 -0.61 0.00 0.00 39.78 38.38 2rqe n ASN 35 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 2rqe s GLU 36 N -5.97 0.80 0.15 3.52 2.56 -1.26 -5.11 118.70 113.39 2rqe s GLU 36 Ca 0.56 0.96 -0.14 0.00 0.00 0.00 0.00 54.97 56.35 2rqe s GLU 36 Cb -0.33 0.39 -0.07 0.00 2.00 0.00 0.00 34.13 36.12 2rqe s GLU 36 CO 0.69 -0.10 0.55 -1.83 -0.56 0.00 0.00 175.26 174.01 2rqe s GLU 37 N 0.38 3.96 0.55 4.30 -1.05 -1.26 -4.54 118.70 121.04 2rqe s GLU 37 Ca -0.00 0.47 0.08 0.00 -0.15 0.00 0.00 54.97 55.37 2rqe s GLU 37 Cb -0.05 -2.91 0.06 0.00 -0.44 0.00 0.00 34.13 30.79 2rqe s GLU 37 CO 0.01 0.47 0.62 0.00 0.95 0.00 0.00 175.26 177.30 2rqe s MET 38 N -2.02 2.32 0.74 -4.83 0.23 -1.26 -5.10 119.30 109.38 2rqe s MET 38 Ca 0.38 -1.76 -0.09 0.00 -1.03 0.00 0.00 55.69 53.19 2rqe s MET 38 Cb -0.15 -2.43 0.07 0.00 -1.53 0.00 0.00 34.83 30.79 2rqe s MET 38 CO 0.19 -0.71 1.08 -2.00 -2.03 0.00 0.00 175.02 171.55 2rqe s GLU 39 N -4.48 2.12 -0.93 3.16 2.56 -1.26 -4.85 118.70 115.01 2rqe s GLU 39 Ca 0.50 -0.11 -0.14 0.00 0.00 0.00 0.00 54.97 55.22 2rqe s GLU 39 Cb -0.04 -2.09 -0.28 0.00 2.00 0.00 0.00 34.13 33.72 2rqe s GLU 39 CO 0.32 -1.37 2.24 0.41 -0.56 0.00 0.00 175.26 176.29 2rqe n GLY 40 N -3.07 -0.39 3.11 -1.50 0.00 -1.26 -2.99 105.19 99.09 2rqe n GLY 40 Ca 0.08 0.10 -0.16 0.00 0.00 0.00 0.00 46.02 46.04 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 9.61 -5.40 0.00 0.99 4.77 -1.26 -5.03 117.00 120.67 2rqe n LEU 41 Ca 0.62 0.43 -0.12 0.00 -0.03 0.00 0.00 56.01 56.90 2rqe n LEU 41 Cb 0.23 -2.49 -0.04 0.00 -2.33 0.00 0.00 43.42 38.79 2rqe n LEU 41 CO 0.93 -1.56 0.02 -1.84 -1.33 0.00 0.00 177.39 173.61 2rqe n GLU 42 N 0.17 0.39 -2.91 3.23 0.28 -1.16 -5.11 120.64 115.53 2rqe n GLU 42 Ca 0.01 -2.23 -0.43 0.00 -0.16 0.00 0.00 57.16 54.34 2rqe n GLU 42 Cb 0.47 1.96 -0.04 0.00 1.43 0.00 0.00 31.44 35.26 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 -2.74 3.18 0.00 -1.84 0.00 -1.26 -4.86 121.76 114.24 2rqe s ALA 43 Ca 0.25 -1.94 0.00 0.00 0.00 0.00 0.00 51.96 50.27 2rqe s ALA 43 Cb 0.00 -3.79 0.00 0.00 0.00 0.00 0.00 23.12 19.33 2rqe s ALA 43 CO 0.18 -2.69 0.00 0.41 0.00 0.00 0.00 175.76 173.66 2rqe n GLY 44 N 5.32 -0.52 0.37 0.00 0.00 -1.26 -4.98 105.19 104.12 2rqe n GLY 44 Ca -0.05 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.93 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 -1.93 1.61 8.25 -0.99 -4.98 115.22 117.18 2rqe n HIS 45 Ca 0.00 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.11 2rqe n HIS 45 Cb 0.00 -0.26 0.04 0.00 1.12 0.00 0.00 29.99 30.89 2rqe n HIS 45 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2rqe s TRP 46 N -2.24 2.37 -0.28 4.41 0.51 0.59 -4.91 118.94 119.39 2rqe s TRP 46 Ca -0.15 1.53 -0.09 0.00 -2.12 0.00 0.00 56.10 55.27 2rqe s TRP 46 Cb 0.02 -3.45 0.13 0.00 -0.81 0.00 0.00 33.47 29.36 2rqe s TRP 46 CO 0.22 -2.20 0.60 -1.54 -0.51 0.00 0.00 176.95 173.52 2rqe s SER 47 N -1.73 -0.97 0.06 2.95 1.04 -1.24 -3.49 113.70 110.32 2rqe s SER 47 Ca 0.76 1.39 -0.26 0.00 0.48 0.00 0.00 55.95 58.31 2rqe s SER 47 Cb -0.29 2.09 0.09 0.00 0.10 0.00 0.00 66.02 68.00 2rqe s SER 47 CO 0.35 -0.23 0.74 -0.60 0.98 0.00 0.00 173.24 174.48 2rqe s ARG 48 N 2.84 1.05 -0.14 4.02 3.00 -0.21 -5.00 118.95 124.50 2rqe s ARG 48 Ca -0.03 -0.31 -0.04 0.00 -1.00 0.00 0.00 55.73 54.36 2rqe s ARG 48 Cb -0.12 0.48 0.07 0.00 0.00 0.00 0.00 34.95 35.38 2rqe s ARG 48 CO -0.18 -0.44 0.19 0.34 0.00 0.00 0.00 175.30 175.21 2rqe s ASP 49 N -2.42 1.06 -0.27 -2.12 2.15 -1.26 -0.13 116.67 113.69 2rqe s ASP 49 Ca 0.01 0.08 -0.14 0.00 0.43 0.00 0.00 52.55 52.93 2rqe s ASP 49 Cb -0.01 0.34 -0.04 0.00 -0.30 0.00 0.00 42.92 42.91 2rqe s ASP 49 CO -0.09 -0.28 0.35 -0.63 -0.17 0.00 0.00 175.17 174.34 2rqe s ILE 50 N 2.31 5.20 -0.47 4.11 -1.09 0.24 -4.95 121.20 126.56 2rqe s ILE 50 Ca 0.04 0.52 0.03 0.00 -2.23 0.00 0.00 60.65 59.01 2rqe s ILE 50 Cb -0.14 -3.67 0.49 0.00 -1.58 0.00 0.00 42.46 37.56 2rqe s ILE 50 CO -0.09 0.18 1.69 0.35 -1.23 0.00 0.00 174.94 175.84 2rqe n THR 51 N 5.03 3.08 0.00 2.92 -2.24 -1.26 0.12 114.28 121.93 2rqe n THR 51 Ca -0.09 -3.13 0.00 0.00 -2.27 0.00 0.00 64.05 58.55 2rqe n THR 51 Cb 0.51 -0.91 0.00 0.00 -2.10 0.00 0.00 70.33 67.83 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 -0.93 0.00 -0.67 -0.78 5.02 -1.26 -4.93 118.16 114.60 2rqe n LYS 52 Ca 0.52 0.00 -0.19 0.00 -2.02 0.00 0.00 58.31 56.62 2rqe n LYS 52 Cb 0.94 0.00 0.16 0.00 -0.02 0.00 0.00 35.03 36.11 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 -0.07 -2.40 -0.47 1.97 -0.04 -1.26 -4.98 135.00 127.75 2rqe n PRO 53 Ca 0.00 -1.13 0.00 0.00 -0.04 0.00 0.00 63.50 62.33 2rqe n PRO 53 Cb 0.00 -1.06 0.00 0.00 -0.04 0.00 0.00 33.50 32.40 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 -3.66 0.00 0.00 0.54 0.00 -1.24 -4.93 118.16 108.87 2rqe n LYS 54 Ca 0.10 -0.29 0.00 0.00 -0.00 0.00 0.00 58.31 58.12 2rqe n LYS 54 Cb 0.38 -0.15 0.00 0.00 -0.00 0.00 0.00 35.03 35.26 2rqe n LYS 54 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 2rqe n ASN 55 N 0.00 0.00 0.00 -5.58 4.13 -1.26 -4.95 115.26 107.60 2rqe n ASN 55 Ca 0.00 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.26 2rqe n ASN 55 Cb 0.56 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.80 2rqe n ASN 55 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2rqe n GLY 56 N 0.00 3.06 3.28 7.41 0.00 -1.26 -4.96 105.19 112.71 2rqe n GLY 56 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.17 1.19 -0.86 1.61 3.00 -1.26 -4.12 118.95 118.34 2rqe s ARG 57 Ca 0.00 -1.58 -0.21 0.00 0.00 0.00 0.00 55.73 53.95 2rqe s ARG 57 Cb 0.00 -0.44 0.10 0.00 0.00 0.00 0.00 34.95 34.61 2rqe s ARG 57 CO 0.00 -0.09 1.13 -1.58 0.00 0.00 0.00 175.30 174.75 2rqe s TRP 58 N -3.53 2.88 -0.10 -0.53 0.52 -0.91 -3.62 118.94 113.66 2rqe s TRP 58 Ca 0.25 -1.03 -0.12 0.00 0.02 0.00 0.00 56.10 55.22 2rqe s TRP 58 Cb 0.05 -4.35 -0.05 0.00 -1.15 0.00 0.00 33.47 27.97 2rqe s TRP 58 CO 0.05 -1.62 0.28 0.42 0.02 0.00 0.00 176.95 176.11 2rqe s ILE 59 N 3.50 5.28 0.08 2.03 1.01 -1.26 -1.67 121.20 130.17 2rqe s ILE 59 Ca 0.31 0.53 0.06 0.00 0.00 0.00 0.00 60.65 61.55 2rqe s ILE 59 Cb -0.08 -3.58 -0.03 0.00 0.01 0.00 0.00 42.46 38.78 2rqe s ILE 59 CO -0.03 0.52 -0.15 0.12 0.00 0.00 0.00 174.94 175.40 2rqe s PHE 60 N -0.50 1.30 -0.05 3.97 5.36 -0.93 -4.95 117.98 122.17 2rqe s PHE 60 Ca 0.18 -0.47 -0.05 0.00 -0.96 0.00 0.00 56.93 55.64 2rqe s PHE 60 Cb -0.14 -0.72 0.02 0.00 -0.34 0.00 0.00 43.02 41.84 2rqe s PHE 60 CO 0.07 0.08 0.14 1.03 -1.46 0.00 0.00 175.22 175.08 2rqe s ARG 61 N -1.88 0.16 0.36 10.12 3.00 -1.26 -1.20 118.95 128.25 2rqe s ARG 61 Ca 0.00 0.22 0.02 0.00 0.00 0.00 0.00 55.73 55.98 2rqe s ARG 61 Cb -0.09 0.05 0.02 0.00 0.00 0.00 0.00 34.95 34.93 2rqe s ARG 61 CO 0.03 -0.04 0.20 -0.25 0.00 0.00 0.00 175.30 175.24 2rqe n ASP 62 N 3.16 2.38 -0.38 0.23 8.00 0.10 -4.94 116.55 125.12 2rqe n ASP 62 Ca -0.14 -2.34 0.00 0.00 0.71 0.00 0.00 54.79 53.02 2rqe n ASP 62 Cb 0.58 0.04 0.00 0.00 -0.02 0.00 0.00 41.12 41.72 2rqe n ASP 62 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2rqe n ARG 63 N -1.23 0.00 -0.07 -1.24 1.74 -1.26 -3.59 116.66 111.00 2rqe n ARG 63 Ca -0.05 -0.55 0.01 0.00 -0.77 0.00 0.00 57.85 56.49 2rqe n ARG 63 Cb 0.43 -0.31 0.01 0.00 -1.02 0.00 0.00 32.46 31.56 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 0.85 -4.31 0.55 3.02 -1.26 -4.49 115.26 109.62 2rqe n ASN 64 Ca 0.00 -1.63 -0.43 0.00 -0.03 0.00 0.00 54.58 52.49 2rqe n ASN 64 Cb 0.59 -0.06 -0.08 0.00 -0.61 0.00 0.00 39.78 39.62 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 -0.57 3.45 -1.06 5.41 0.00 -1.26 -4.88 121.76 122.85 2rqe s ALA 65 Ca 0.03 -2.23 -0.05 0.00 0.00 0.00 0.00 51.96 49.71 2rqe s ALA 65 Cb 0.02 -2.92 0.29 0.00 0.00 0.00 0.00 23.12 20.52 2rqe s ALA 65 CO 0.00 -1.76 1.29 0.00 0.00 0.00 0.00 175.76 175.30 2rqe n ALA 66 N 5.07 4.76 -2.57 0.00 0.00 -1.26 -0.91 120.51 125.60 2rqe n ALA 66 Ca -0.11 -4.75 -0.27 0.00 0.00 0.00 0.00 53.44 48.30 2rqe n ALA 66 Cb 0.43 -2.28 -0.09 0.00 0.00 0.00 0.00 19.45 17.51 2rqe n ALA 66 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 2rqe s LEU 67 N -2.23 2.88 -0.02 0.00 -0.00 -1.26 -4.93 118.68 113.12 2rqe s LEU 67 Ca 0.31 -1.30 -0.23 0.00 -0.00 0.00 0.00 54.13 52.91 2rqe s LEU 67 Cb -0.00 -1.07 0.05 0.00 -0.00 0.00 0.00 46.19 45.17 2rqe s LEU 67 CO 0.03 -0.56 0.51 -1.59 -0.00 0.00 0.00 176.35 174.74 2rqe s LYS 68 N -3.82 0.92 -0.20 1.48 0.00 -1.26 -4.21 119.74 112.65 2rqe s LYS 68 Ca 0.33 -0.01 -0.19 0.00 0.00 0.00 0.00 55.97 56.11 2rqe s LYS 68 Cb 0.06 0.42 -0.08 0.00 0.00 0.00 0.00 37.83 38.24 2rqe s LYS 68 CO 0.18 -0.29 0.71 -0.89 0.00 0.00 0.00 175.35 175.06 2rqe n ILE 69 N 0.92 0.00 0.00 3.79 2.08 -1.26 -1.51 119.36 123.38 2rqe n ILE 69 Ca -0.20 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.11 2rqe n ILE 69 Cb 0.57 -0.20 0.00 0.00 -0.75 0.00 0.00 39.64 39.26 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 2.04 1.35 1.73 7.39 0.00 -1.13 -5.05 105.19 111.52 2rqe n GLY 70 Ca 0.15 0.00 -0.16 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 -2.36 -4.12 1.61 9.92 -0.57 -4.68 116.55 116.35 2rqe n ASP 71 Ca 0.00 -0.65 -0.10 0.00 -0.53 0.00 0.00 54.79 53.51 2rqe n ASP 71 Cb 0.00 -0.52 -0.09 0.00 -0.64 0.00 0.00 41.12 39.87 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 -4.18 1.06 -0.04 -1.24 1.02 -1.26 -1.14 119.74 113.96 2rqe s LYS 72 Ca 0.36 -1.44 -0.06 0.00 0.02 0.00 0.00 55.97 54.85 2rqe s LYS 72 Cb -0.05 0.28 0.01 0.00 -0.52 0.00 0.00 37.83 37.55 2rqe s LYS 72 CO 0.29 -0.34 0.15 0.42 -0.92 0.00 0.00 175.35 174.95 2rqe s ILE 73 N -4.06 0.03 -0.26 2.17 1.01 0.57 -3.15 121.20 117.50 2rqe s ILE 73 Ca 0.27 -0.23 -0.02 0.00 0.00 0.00 0.00 60.65 60.67 2rqe s ILE 73 Cb 0.06 -0.30 0.11 0.00 0.01 0.00 0.00 42.46 42.35 2rqe s ILE 73 CO 0.04 -0.12 0.24 -0.31 0.00 0.00 0.00 174.94 174.79 2rqe s TYR 74 N -0.39 -0.28 0.00 3.97 2.02 -1.26 0.38 117.35 121.79 2rqe s TYR 74 Ca -0.05 -0.12 0.00 0.00 -0.37 0.00 0.00 57.07 56.53 2rqe s TYR 74 Cb -0.03 -0.49 0.00 0.00 -0.40 0.00 0.00 41.96 41.04 2rqe s TYR 74 CO 0.01 -0.79 0.00 1.97 -1.57 0.00 0.00 175.55 175.17 2rqe n PHE 75 N 5.31 -0.16 -4.10 2.71 -1.74 -1.26 -4.13 117.46 114.08 2rqe n PHE 75 Ca -0.04 0.00 -0.13 0.00 -0.56 0.00 0.00 57.45 56.72 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 -3.51 0.95 0.06 2.97 1.48 -1.25 -3.06 118.94 116.57 2rqe s TRP 76 Ca 0.00 -1.19 -0.00 0.00 -1.06 0.00 0.00 56.10 53.85 2rqe s TRP 76 Cb 0.00 -0.15 -0.04 0.00 -1.16 0.00 0.00 33.47 32.12 2rqe s TRP 76 CO 0.00 -0.98 -0.04 0.95 -4.06 0.00 0.00 176.95 172.82 2rqe s THR 77 N -3.55 0.30 0.12 0.66 -4.23 -1.24 -3.80 115.64 103.89 2rqe s THR 77 Ca 0.31 -1.75 0.10 0.00 -1.18 0.00 0.00 61.69 59.16 2rqe s THR 77 Cb 0.01 -1.43 -0.04 0.00 1.34 0.00 0.00 72.50 72.38 2rqe s THR 77 CO 0.16 -0.93 -0.24 0.12 -0.54 0.00 0.00 174.62 173.19 2rqe s PHE 78 N -3.64 2.05 0.29 3.99 5.36 -1.22 -1.74 117.98 123.07 2rqe s PHE 78 Ca 0.06 -0.40 -0.05 0.00 -0.96 0.00 0.00 56.93 55.58 2rqe s PHE 78 Cb 0.06 -1.11 -0.01 0.00 -0.34 0.00 0.00 43.02 41.62 2rqe s PHE 78 CO -0.08 0.28 0.42 0.14 -1.46 0.00 0.00 175.22 174.52 2rqe s VAL 79 N -1.14 0.00 -0.33 3.12 -7.23 -0.21 -0.83 120.40 113.78 2rqe s VAL 79 Ca 0.11 -1.61 0.02 0.00 -1.81 0.00 0.00 61.98 58.69 2rqe s VAL 79 Cb -0.10 -2.48 0.16 0.00 0.56 0.00 0.00 36.38 34.51 2rqe s VAL 79 CO 0.05 0.00 0.39 -0.63 -0.31 0.00 0.00 175.10 174.61 2rqe s ILE 80 N -3.53 -0.52 -0.20 -0.62 1.01 -0.86 -2.14 121.20 114.35 2rqe s ILE 80 Ca 0.30 -0.53 -0.03 0.00 0.00 0.00 0.00 60.65 60.38 2rqe s ILE 80 Cb 0.01 -0.81 -0.01 0.00 0.01 0.00 0.00 42.46 41.66 2rqe s ILE 80 CO 0.16 -0.40 -0.07 -0.75 0.00 0.00 0.00 174.94 173.88 2rqe s LYS 81 N 2.10 3.34 -1.54 2.79 2.20 -1.26 -0.10 119.74 127.27 2rqe s LYS 81 Ca 0.12 -0.65 -0.02 0.00 -0.36 0.00 0.00 55.97 55.06 2rqe s LYS 81 Cb -0.13 -2.91 0.00 0.00 -1.51 0.00 0.00 37.83 33.28 2rqe s LYS 81 CO -0.20 -0.13 0.26 -0.25 -0.36 0.00 0.00 175.35 174.66 2rqe n ASP 82 N 4.58 -5.64 -2.82 1.43 9.92 -1.26 -1.93 116.55 120.83 2rqe n ASP 82 Ca -0.18 -0.13 -0.22 0.00 -0.53 0.00 0.00 54.79 53.73 2rqe n ASP 82 Cb 0.51 -4.58 0.02 0.00 -0.64 0.00 0.00 41.12 36.43 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 -1.23 -0.51 0.11 0.44 0.00 -1.26 -4.89 105.19 97.84 2rqe n GLY 83 Ca -0.17 0.08 -0.17 0.00 0.00 0.00 0.00 46.02 45.76 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 -3.64 1.94 -0.22 0.99 4.77 -0.81 -5.12 117.00 114.90 2rqe n LEU 84 Ca -0.15 0.34 0.00 0.00 -0.03 0.00 0.00 56.01 56.17 2rqe n LEU 84 Cb 0.64 -0.78 0.00 0.00 -2.33 0.00 0.00 43.42 40.95 2rqe n LEU 84 CO 0.40 0.07 0.00 0.61 -1.33 0.00 0.00 177.39 177.14 2rqe n GLY 85 N 1.38 -0.06 3.42 -0.72 0.00 -1.26 -4.95 105.19 102.99 2rqe n GLY 85 Ca -0.30 -0.95 -0.21 0.00 0.00 0.00 0.00 46.02 44.57 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 1.91 -0.18 1.61 1.51 -0.91 -4.96 117.35 116.33 2rqe s TYR 86 Ca 0.00 -0.72 -0.15 0.00 -1.01 0.00 0.00 57.07 55.19 2rqe s TYR 86 Cb 0.00 -1.09 0.05 0.00 -0.11 0.00 0.00 41.96 40.81 2rqe s TYR 86 CO 0.00 0.25 0.46 0.50 -1.11 0.00 0.00 175.55 175.65 2rqe s ARG 87 N -3.74 0.52 0.10 -0.62 3.00 -1.26 -1.04 118.95 115.91 2rqe s ARG 87 Ca 0.29 0.70 -0.17 0.00 -1.00 0.00 0.00 55.73 55.54 2rqe s ARG 87 Cb 0.04 0.20 -0.07 0.00 0.00 0.00 0.00 34.95 35.12 2rqe s ARG 87 CO 0.11 -0.09 0.56 -1.14 0.00 0.00 0.00 175.30 174.75 2rqe s GLN 88 N 0.53 4.11 0.02 5.12 0.74 -0.71 -4.53 119.66 124.93 2rqe s GLN 88 Ca -0.02 0.64 0.03 0.00 0.05 0.00 0.00 55.36 56.06 2rqe s GLN 88 Cb -0.04 -3.12 -0.01 0.00 1.10 0.00 0.00 33.01 30.94 2rqe s GLN 88 CO -0.03 0.58 -0.11 0.16 -0.55 0.00 0.00 175.29 175.34 2rqe s ASP 89 N -1.34 1.25 0.00 6.67 1.47 -1.26 -3.65 116.67 119.81 2rqe s ASP 89 Ca 0.32 -0.32 0.00 0.00 1.18 0.00 0.00 52.55 53.73 2rqe s ASP 89 Cb -0.18 -0.09 0.00 0.00 -0.34 0.00 0.00 42.92 42.31 2rqe s ASP 89 CO 0.19 0.04 0.00 0.59 0.68 0.00 0.00 175.17 176.67 2rqe n ASN 90 N 2.32 0.00 -4.42 2.11 5.03 -1.26 -5.00 115.26 114.03 2rqe n ASN 90 Ca -0.16 0.00 -0.37 0.00 0.87 0.00 0.00 54.58 54.92 2rqe n ASN 90 Cb 0.56 0.00 -0.08 0.00 -1.02 0.00 0.00 39.78 39.23 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 0.00 -0.28 3.15 7.41 0.00 -1.17 -4.88 105.19 109.42 2rqe n GLY 91 Ca 0.00 0.12 0.05 0.00 0.00 0.00 0.00 46.02 46.19 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 -7.27 0.34 -0.24 1.61 2.12 -1.11 -4.47 118.70 109.67 2rqe s GLU 92 Ca 0.46 0.48 -0.03 0.00 0.36 0.00 0.00 54.97 56.24 2rqe s GLU 92 Cb -0.26 0.25 0.11 0.00 0.26 0.00 0.00 34.13 34.49 2rqe s GLU 92 CO 1.01 -0.49 0.26 -1.58 -0.54 0.00 0.00 175.26 173.93 2rqe s TRP 93 N 2.91 -0.39 0.02 5.30 0.51 0.16 -4.95 118.94 122.49 2rqe s TRP 93 Ca 0.13 0.13 -0.29 0.00 -2.12 0.00 0.00 56.10 53.95 2rqe s TRP 93 Cb -0.09 -0.36 -0.04 0.00 -0.81 0.00 0.00 33.47 32.17 2rqe s TRP 93 CO -0.19 -0.74 0.94 0.99 -0.51 0.00 0.00 176.95 177.44 2rqe s THR 94 N 2.36 4.81 0.02 2.01 2.01 -1.26 -0.32 115.64 125.27 2rqe s THR 94 Ca 0.09 1.98 -0.30 0.00 0.31 0.00 0.00 61.69 63.77 2rqe s THR 94 Cb -0.15 -4.28 -0.08 0.00 0.01 0.00 0.00 72.50 68.00 2rqe s THR 94 CO -0.20 0.21 1.79 -0.69 -0.69 0.00 0.00 174.62 175.03 2rqe s VAL 95 N 0.74 3.18 0.00 3.82 1.01 -0.29 -4.81 120.40 124.04 2rqe s VAL 95 Ca 0.49 0.35 0.00 0.00 0.00 0.00 0.00 61.98 62.82 2rqe s VAL 95 Cb -0.21 -3.22 0.00 0.00 0.00 0.00 0.00 36.38 32.95 2rqe s VAL 95 CO 0.27 -0.02 0.48 -0.62 0.00 0.00 0.00 175.10 175.21 2rqe n GLU 96 N 6.89 0.25 -3.51 2.72 1.02 -1.26 -2.82 120.64 123.93 2rqe n GLU 96 Ca 0.18 -0.52 -0.19 0.00 -0.02 0.00 0.00 57.16 56.61 2rqe n GLU 96 Cb 0.41 -0.55 -0.04 0.00 -0.02 0.00 0.00 31.44 31.24 2rqe n GLU 96 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2rqe n GLY 97 N -0.04 3.79 3.42 0.62 0.00 -1.26 -5.06 105.19 106.66 2rqe n GLY 97 Ca 0.00 -2.30 -0.15 0.00 0.00 0.00 0.00 46.02 43.57 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 -2.04 -0.48 0.15 1.61 5.36 -1.26 -3.92 117.98 117.41 2rqe s PHE 98 Ca 0.01 0.62 -0.25 0.00 -0.96 0.00 0.00 56.93 56.36 2rqe s PHE 98 Cb -0.00 0.36 0.07 0.00 -0.34 0.00 0.00 43.02 43.11 2rqe s PHE 98 CO 0.01 -0.63 1.00 0.14 -1.46 0.00 0.00 175.22 174.28 2rqe s VAL 99 N -2.13 0.00 -0.03 3.12 -7.23 -0.89 -4.62 120.40 108.62 2rqe s VAL 99 Ca -0.07 -0.62 -0.01 0.00 -1.81 0.00 0.00 61.98 59.47 2rqe s VAL 99 Cb -0.01 -2.23 0.03 0.00 0.56 0.00 0.00 36.38 34.73 2rqe s VAL 99 CO 0.01 0.00 0.07 -1.81 -0.31 0.00 0.00 175.10 173.06 2rqe s ASP 100 N -3.06 -0.02 -0.54 4.85 1.11 -1.26 -3.45 116.67 114.29 2rqe s ASP 100 Ca 0.15 0.14 -0.02 0.00 0.18 0.00 0.00 52.55 53.00 2rqe s ASP 100 Cb -0.01 0.06 0.23 0.00 1.07 0.00 0.00 42.92 44.27 2rqe s ASP 100 CO 0.03 -0.10 2.30 1.21 1.18 0.00 0.00 175.17 179.78 2rqe n GLU 101 N 3.87 2.37 0.00 8.23 2.13 -1.26 -5.03 120.64 130.95 2rqe n GLU 101 Ca -0.23 -2.55 0.00 0.00 0.66 0.00 0.00 57.16 55.04 2rqe n GLU 101 Cb 0.53 -2.06 0.00 0.00 0.27 0.00 0.00 31.44 30.18 2rqe n GLU 101 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72