#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 0.41 -1.50 2.98 1.02 -1.26 -5.00 120.64 117.28 2rqe n GLU 2 Ca 0.00 -2.94 0.00 0.00 -0.02 0.00 0.00 57.16 54.20 2rqe n GLU 2 Cb 0.00 -1.51 0.00 0.00 -0.02 0.00 0.00 31.44 29.91 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 2.40 -1.90 -1.18 0.62 0.00 -1.26 -3.96 120.51 115.23 2rqe n ALA 3 Ca 0.25 0.44 -0.29 0.00 0.00 0.00 0.00 53.44 53.84 2rqe n ALA 3 Cb 0.51 -1.38 0.16 0.00 0.00 0.00 0.00 19.45 18.74 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 -4.34 0.73 0.17 0.00 0.04 -1.26 -4.83 135.00 125.52 2rqe s PRO 4 Ca 0.00 0.63 -0.30 0.00 0.04 0.00 0.00 61.00 61.37 2rqe s PRO 4 Cb 0.00 -1.76 -0.08 0.00 0.04 0.00 0.00 34.50 32.69 2rqe s PRO 4 CO 0.00 -2.55 1.32 -1.25 0.04 0.00 0.00 177.00 174.56 2rqe s PRO 5 N -4.95 4.38 0.19 0.56 0.04 -1.26 -4.94 135.00 129.01 2rqe s PRO 5 Ca 0.65 2.04 -0.22 0.00 0.04 0.00 0.00 61.00 63.51 2rqe s PRO 5 Cb -0.18 -3.21 -0.08 0.00 0.04 0.00 0.00 34.50 31.06 2rqe s PRO 5 CO 0.57 -0.29 0.73 0.00 0.04 0.00 0.00 177.00 178.05 2rqe s ALA 6 N 0.39 3.44 -1.12 8.56 0.00 -1.26 -4.57 121.76 127.20 2rqe s ALA 6 Ca 0.59 0.23 -0.08 0.00 0.00 0.00 0.00 51.96 52.70 2rqe s ALA 6 Cb -0.36 -2.86 0.28 0.00 0.00 0.00 0.00 23.12 20.17 2rqe s ALA 6 CO 0.36 0.32 1.25 2.41 0.00 0.00 0.00 175.76 180.10 2rqe n THR 7 N 1.11 4.74 -2.38 0.00 -1.04 0.13 -4.99 114.28 111.85 2rqe n THR 7 Ca -0.04 -5.45 -0.42 0.00 -2.04 0.00 0.00 64.05 56.10 2rqe n THR 7 Cb 0.50 -2.45 -0.03 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 -1.43 3.43 0.00 -4.42 1.02 -1.26 -2.71 118.68 113.30 2rqe s LEU 8 Ca 0.32 0.36 -0.02 0.00 0.02 0.00 0.00 54.13 54.82 2rqe s LEU 8 Cb -0.05 -3.12 0.02 0.00 0.02 0.00 0.00 46.19 43.06 2rqe s LEU 8 CO -0.03 -1.68 0.12 -0.62 0.02 0.00 0.00 176.35 174.16 2rqe n GLU 9 N 8.58 -0.28 -3.55 1.70 -0.58 0.13 -4.71 120.64 121.93 2rqe n GLU 9 Ca 0.13 -0.18 -0.27 0.00 -0.42 0.00 0.00 57.16 56.42 2rqe n GLU 9 Cb 0.49 -0.13 -0.11 0.00 -0.57 0.00 0.00 31.44 31.13 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 -3.85 2.14 1.03 0.62 0.00 -1.25 -4.52 121.76 115.93 2rqe s ALA 10 Ca 0.07 -2.87 -0.14 0.00 0.00 0.00 0.00 51.96 49.01 2rqe s ALA 10 Cb -0.00 -1.77 0.20 0.00 0.00 0.00 0.00 23.12 21.55 2rqe s ALA 10 CO 0.05 -2.01 1.13 0.42 0.00 0.00 0.00 175.76 175.34 2rqe s ILE 11 N -0.39 1.90 1.16 0.00 -1.09 -1.26 -2.62 121.20 118.89 2rqe s ILE 11 Ca 0.30 0.00 -0.17 0.00 -2.23 0.00 0.00 60.65 58.55 2rqe s ILE 11 Cb 0.01 -2.60 0.19 0.00 -1.58 0.00 0.00 42.46 38.48 2rqe s ILE 11 CO -0.19 0.00 0.34 1.41 -1.23 0.00 0.00 174.94 175.28 2rqe n HIS 12 N -4.20 -1.78 0.49 3.97 8.25 -1.25 -4.67 115.22 116.03 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 -3.06 0.49 -0.32 -0.41 -0.04 -1.26 -2.30 135.00 128.09 2rqe n PRO 13 Ca 0.03 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.55 2rqe n PRO 13 Cb 0.57 -1.25 0.11 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 0.26 0.94 -3.12 0.54 2.85 -1.24 -4.20 118.16 114.19 2rqe n LYS 14 Ca 0.00 -2.26 0.00 0.00 -1.05 0.00 0.00 58.31 55.00 2rqe n LYS 14 Cb 0.12 -1.19 0.00 0.00 -0.65 0.00 0.00 35.03 33.31 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 -0.94 -1.89 3.48 2.58 0.00 0.81 -4.24 105.19 104.98 2rqe n GLY 15 Ca 0.12 -1.45 -0.10 0.00 0.00 0.00 0.00 46.02 44.59 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 0.55 -0.02 0.99 2.96 0.18 -4.08 118.68 119.26 2rqe s LEU 16 Ca 0.00 -0.92 0.01 0.00 -0.22 0.00 0.00 54.13 53.00 2rqe s LEU 16 Cb 0.00 1.51 0.01 0.00 0.50 0.00 0.00 46.19 48.21 2rqe s LEU 16 CO 0.00 -1.04 -0.04 -0.60 -1.32 0.00 0.00 176.35 173.35 2rqe s ARG 17 N -4.01 0.56 -0.23 1.98 3.52 -1.26 -0.20 118.95 119.31 2rqe s ARG 17 Ca 0.21 -0.13 -0.03 0.00 -0.13 0.00 0.00 55.73 55.66 2rqe s ARG 17 Cb 0.01 -0.58 0.10 0.00 -1.56 0.00 0.00 34.95 32.92 2rqe s ARG 17 CO 0.06 0.01 0.22 0.08 -0.81 0.00 0.00 175.30 174.86 2rqe s VAL 18 N 0.40 -0.30 0.22 7.11 1.01 0.16 0.18 120.40 129.18 2rqe s VAL 18 Ca -0.05 -0.28 0.10 0.00 0.00 0.00 0.00 61.98 61.76 2rqe s VAL 18 Cb -0.08 -0.77 -0.04 0.00 0.00 0.00 0.00 36.38 35.48 2rqe s VAL 18 CO -0.00 -0.33 -0.12 -0.55 0.00 0.00 0.00 175.10 174.10 2rqe s SER 19 N 2.29 4.05 0.03 3.32 0.15 -1.10 -1.95 113.70 120.49 2rqe s SER 19 Ca 0.07 -0.72 -0.02 0.00 0.70 0.00 0.00 55.95 55.98 2rqe s SER 19 Cb -0.15 -0.59 -0.02 0.00 -1.71 0.00 0.00 66.02 63.55 2rqe s SER 19 CO -0.19 0.07 0.01 0.68 1.20 0.00 0.00 173.24 175.01 2rqe s VAL 20 N -1.96 0.13 -0.07 4.45 -7.23 -0.97 0.17 120.40 114.92 2rqe s VAL 20 Ca 0.26 -1.08 -0.30 0.00 -1.81 0.00 0.00 61.98 59.06 2rqe s VAL 20 Cb -0.07 -0.62 -0.04 0.00 0.56 0.00 0.00 36.38 36.20 2rqe s VAL 20 CO 0.15 -0.59 1.51 -2.16 -0.31 0.00 0.00 175.10 173.69 2rqe s PRO 21 N -2.10 4.21 -0.70 4.82 0.04 -1.26 -2.24 135.00 137.77 2rqe s PRO 21 Ca -0.10 2.01 -0.27 0.00 0.04 0.00 0.00 61.00 62.69 2rqe s PRO 21 Cb -0.05 -3.85 0.01 0.00 0.04 0.00 0.00 34.50 30.65 2rqe s PRO 21 CO -0.03 -0.76 1.52 0.34 0.04 0.00 0.00 177.00 178.10 2rqe s ASP 22 N 2.71 5.81 -0.26 6.66 2.15 -1.26 -4.85 116.67 127.63 2rqe s ASP 22 Ca 0.67 -0.16 0.00 0.00 0.43 0.00 0.00 52.55 53.49 2rqe s ASP 22 Cb -0.30 -2.55 0.25 0.00 -0.30 0.00 0.00 42.92 40.02 2rqe s ASP 22 CO 0.25 -2.06 1.74 1.21 -0.17 0.00 0.00 175.17 176.15 2rqe n GLU 23 N 9.29 1.67 -0.67 4.34 0.00 -1.26 -4.68 120.64 129.34 2rqe n GLU 23 Ca 0.11 -1.42 0.00 0.00 0.00 0.00 0.00 57.16 55.85 2rqe n GLU 23 Cb 0.50 -1.56 0.00 0.00 0.00 0.00 0.00 31.44 30.39 2rqe n GLU 23 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2rqe n GLY 24 N 0.11 1.00 3.75 8.31 0.00 -1.26 -5.02 105.19 112.09 2rqe n GLY 24 Ca 0.28 -0.44 -0.29 0.00 0.00 0.00 0.00 46.02 45.56 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 2.46 0.00 1.61 0.08 -1.26 -4.22 117.98 114.64 2rqe s PHE 25 Ca 0.00 1.00 0.00 0.00 0.12 0.00 0.00 56.93 58.05 2rqe s PHE 25 Cb 0.00 -3.27 0.00 0.00 -0.57 0.00 0.00 43.02 39.18 2rqe s PHE 25 CO 0.00 -2.37 0.05 0.45 -0.10 0.00 0.00 175.22 173.25 2rqe n SER 26 N -3.81 0.10 -3.61 1.36 2.88 0.17 -4.92 113.62 105.79 2rqe n SER 26 Ca 0.06 -0.40 -0.15 0.00 -1.33 0.00 0.00 58.87 57.05 2rqe n SER 26 Cb 0.58 0.43 -0.07 0.00 -0.75 0.00 0.00 64.21 64.40 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 -0.87 -0.68 0.04 2.46 1.98 -1.22 -4.56 118.68 115.83 2rqe s LEU 27 Ca 0.00 1.27 0.01 0.00 -2.89 0.00 0.00 54.13 52.53 2rqe s LEU 27 Cb 0.00 2.44 -0.02 0.00 0.66 0.00 0.00 46.19 49.26 2rqe s LEU 27 CO 0.00 -0.32 -0.06 0.12 -1.89 0.00 0.00 176.35 174.20 2rqe s PHE 28 N 0.05 0.57 0.01 5.38 2.19 0.30 -1.94 117.98 124.54 2rqe s PHE 28 Ca -0.02 -0.55 0.01 0.00 0.33 0.00 0.00 56.93 56.69 2rqe s PHE 28 Cb -0.04 -0.35 -0.01 0.00 -1.31 0.00 0.00 43.02 41.31 2rqe s PHE 28 CO 0.03 -0.13 -0.03 0.00 1.83 0.00 0.00 175.22 176.92 2rqe s ALA 29 N -1.63 0.25 -0.14 11.12 0.00 0.14 0.18 121.76 131.68 2rqe s ALA 29 Ca -0.10 -0.32 0.00 0.00 0.00 0.00 0.00 51.96 51.55 2rqe s ALA 29 Cb -0.08 0.01 0.02 0.00 0.00 0.00 0.00 23.12 23.07 2rqe s ALA 29 CO -0.01 -0.01 -0.11 0.12 0.00 0.00 0.00 175.76 175.75 2rqe s PHE 30 N -0.58 1.90 -0.36 0.00 2.19 0.34 -3.14 117.98 118.33 2rqe s PHE 30 Ca -0.04 -1.04 0.04 0.00 0.33 0.00 0.00 56.93 56.21 2rqe s PHE 30 Cb -0.04 -1.45 0.16 0.00 -1.31 0.00 0.00 43.02 40.38 2rqe s PHE 30 CO -0.00 -0.61 0.45 -1.01 1.83 0.00 0.00 175.22 175.88 2rqe s HIS 31 N 1.57 -0.83 0.34 10.12 3.76 -1.26 -1.43 115.29 127.56 2rqe s HIS 31 Ca 0.05 -0.30 -0.00 0.00 -0.15 0.00 0.00 55.06 54.66 2rqe s HIS 31 Cb -0.13 -0.16 -0.00 0.00 1.11 0.00 0.00 32.58 33.39 2rqe s HIS 31 CO -0.10 -1.03 0.43 0.20 -0.85 0.00 0.00 174.74 173.39 2rqe s GLY 32 N 1.78 1.67 0.00 -2.22 0.00 -1.24 -3.95 107.32 103.36 2rqe s GLY 32 Ca 0.15 -1.64 0.00 0.00 0.00 0.00 0.00 44.72 43.23 2rqe s GLY 32 CO -0.10 -1.11 0.00 0.28 0.00 0.00 0.00 173.10 172.17 2rqe n LYS 33 N -0.57 1.04 -4.16 2.90 5.02 -1.26 -1.06 118.16 120.07 2rqe n LYS 33 Ca 0.02 0.00 -0.16 0.00 -2.02 0.00 0.00 58.31 56.16 2rqe n LYS 33 Cb 0.62 0.00 -0.11 0.00 -0.02 0.00 0.00 35.03 35.51 2rqe n LYS 33 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 2rqe s LEU 34 N 0.00 2.33 -0.13 -0.35 2.96 -1.26 -4.03 118.68 118.20 2rqe s LEU 34 Ca 0.00 -0.69 0.00 0.00 -0.22 0.00 0.00 54.13 53.22 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 -0.18 0.00 0.59 -1.32 0.00 0.00 176.35 175.44 2rqe n ASN 35 N 0.99 -0.90 -3.64 3.68 3.02 -1.17 -4.80 115.26 112.45 2rqe n ASN 35 Ca -0.19 0.28 -0.10 0.00 -0.03 0.00 0.00 54.58 54.54 2rqe n ASN 35 Cb 0.56 -1.05 -0.07 0.00 -0.61 0.00 0.00 39.78 38.61 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 -3.75 0.64 0.32 3.52 2.56 -1.26 -5.10 118.70 115.62 2rqe s GLU 36 Ca 0.00 0.86 0.08 0.00 0.00 0.00 0.00 54.97 55.90 2rqe s GLU 36 Cb 0.00 0.26 -0.03 0.00 2.00 0.00 0.00 34.13 36.36 2rqe s GLU 36 CO 0.00 -0.09 0.23 -1.83 -0.56 0.00 0.00 175.26 173.01 2rqe s GLU 37 N 0.68 2.68 0.42 4.30 -1.05 -1.26 -4.31 118.70 120.16 2rqe s GLU 37 Ca -0.02 -1.30 0.03 0.00 -0.15 0.00 0.00 54.97 53.53 2rqe s GLU 37 Cb -0.05 -2.43 0.03 0.00 -0.44 0.00 0.00 34.13 31.25 2rqe s GLU 37 CO -0.07 0.17 0.23 0.00 0.95 0.00 0.00 175.26 176.54 2rqe n MET 38 N -1.27 0.91 -3.82 -4.83 0.00 -1.26 -5.10 117.12 101.76 2rqe n MET 38 Ca -0.03 -2.70 -0.12 0.00 0.00 0.00 0.00 57.70 54.84 2rqe n MET 38 Cb 0.60 0.41 -0.10 0.00 0.00 0.00 0.00 33.22 34.12 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 -3.66 0.45 -1.12 3.17 2.12 -1.26 -4.87 118.70 113.53 2rqe s GLU 39 Ca 0.18 -0.08 0.00 0.00 0.36 0.00 0.00 54.97 55.43 2rqe s GLU 39 Cb -0.01 0.20 0.00 0.00 0.26 0.00 0.00 34.13 34.57 2rqe s GLU 39 CO 0.11 -0.10 0.00 0.41 -0.54 0.00 0.00 175.26 175.14 2rqe n GLY 40 N 1.97 0.32 3.16 -1.50 0.00 -1.26 -4.06 105.19 103.82 2rqe n GLY 40 Ca -0.19 -0.40 -0.16 0.00 0.00 0.00 0.00 46.02 45.27 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 -1.63 -4.83 -4.45 0.99 4.77 -1.26 -5.02 117.00 105.56 2rqe n LEU 41 Ca -0.14 0.40 -0.22 0.00 -0.03 0.00 0.00 56.01 56.02 2rqe n LEU 41 Cb 0.54 -2.26 -0.10 0.00 -2.33 0.00 0.00 43.42 39.27 2rqe n LEU 41 CO 0.17 -1.40 -0.26 -1.83 -1.33 0.00 0.00 177.39 172.74 2rqe s GLU 42 N -1.96 1.67 -0.65 3.23 -1.05 -1.26 -5.10 118.70 113.59 2rqe s GLU 42 Ca 0.19 -1.94 -0.23 0.00 -0.15 0.00 0.00 54.97 52.84 2rqe s GLU 42 Cb -0.03 -0.84 0.06 0.00 -0.44 0.00 0.00 34.13 32.89 2rqe s GLU 42 CO 0.60 -0.21 0.98 0.00 0.95 0.00 0.00 175.26 177.58 2rqe s ALA 43 N -3.30 3.10 0.00 -0.84 0.00 -1.26 -4.88 121.76 114.57 2rqe s ALA 43 Ca 0.35 -1.73 0.00 0.00 0.00 0.00 0.00 51.96 50.58 2rqe s ALA 43 Cb 0.08 -3.87 0.00 0.00 0.00 0.00 0.00 23.12 19.34 2rqe s ALA 43 CO 0.15 -2.75 0.00 0.41 0.00 0.00 0.00 175.76 173.57 2rqe n GLY 44 N 5.30 -0.82 0.00 0.00 0.00 -1.26 -4.98 105.19 103.44 2rqe n GLY 44 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 -1.59 1.61 8.25 -1.10 -4.98 115.22 117.41 2rqe n HIS 45 Ca 0.00 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.07 2rqe n HIS 45 Cb 0.00 0.00 0.04 0.00 1.12 0.00 0.00 29.99 31.15 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 -2.32 0.68 -3.64 4.41 8.01 -0.22 -4.89 117.44 119.47 2rqe n TRP 46 Ca 0.00 0.46 -0.05 0.00 -1.31 0.00 0.00 57.50 56.60 2rqe n TRP 46 Cb 0.00 -2.13 -0.07 0.00 -2.01 0.00 0.00 31.31 27.10 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 -1.12 -0.63 -0.02 -0.99 1.04 -1.23 -3.70 113.70 107.05 2rqe s SER 47 Ca 0.72 1.22 -0.29 0.00 0.48 0.00 0.00 55.95 58.07 2rqe s SER 47 Cb -0.45 1.75 0.11 0.00 0.10 0.00 0.00 66.02 67.52 2rqe s SER 47 CO 0.50 -0.23 0.95 -0.60 0.98 0.00 0.00 173.24 174.85 2rqe s ARG 48 N 2.73 0.76 -0.11 4.02 3.00 -0.52 -4.99 118.95 123.84 2rqe s ARG 48 Ca -0.03 -0.30 -0.03 0.00 -1.00 0.00 0.00 55.73 54.37 2rqe s ARG 48 Cb -0.12 0.34 0.05 0.00 0.00 0.00 0.00 34.95 35.21 2rqe s ARG 48 CO -0.15 -0.33 0.06 -0.51 0.00 0.00 0.00 175.30 174.37 2rqe s ASP 49 N -2.48 1.88 -0.67 -2.12 1.11 -1.26 -0.51 116.67 112.63 2rqe s ASP 49 Ca 0.06 -0.32 -0.18 0.00 0.18 0.00 0.00 52.55 52.29 2rqe s ASP 49 Cb -0.01 -0.26 0.12 0.00 1.07 0.00 0.00 42.92 43.84 2rqe s ASP 49 CO -0.07 -0.29 0.77 -0.63 1.18 0.00 0.00 175.17 176.13 2rqe s ILE 50 N 2.11 4.89 -0.35 0.77 -1.09 0.48 -4.89 121.20 123.13 2rqe s ILE 50 Ca 0.03 -1.24 0.03 0.00 -2.23 0.00 0.00 60.65 57.25 2rqe s ILE 50 Cb -0.14 -4.53 0.52 0.00 -1.58 0.00 0.00 42.46 36.73 2rqe s ILE 50 CO -0.06 -1.17 1.70 0.35 -1.23 0.00 0.00 174.94 174.52 2rqe n THR 51 N 5.36 2.68 0.00 2.92 -2.24 -1.26 0.11 114.28 121.85 2rqe n THR 51 Ca -0.02 -1.46 0.00 0.00 -2.27 0.00 0.00 64.05 60.29 2rqe n THR 51 Cb 0.44 -0.58 0.00 0.00 -2.10 0.00 0.00 70.33 68.08 2rqe n THR 51 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 2rqe n LYS 52 N -0.73 0.00 -0.86 -0.78 4.81 -1.26 -4.85 118.16 114.49 2rqe n LYS 52 Ca 0.45 0.00 -0.25 0.00 -0.87 0.00 0.00 58.31 57.65 2rqe n LYS 52 Cb 1.39 0.00 0.21 0.00 0.02 0.00 0.00 35.03 36.65 2rqe n LYS 52 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 2rqe n PRO 53 N -0.14 -2.81 0.00 1.64 -0.04 -1.26 -4.96 135.00 127.43 2rqe n PRO 53 Ca 0.00 -1.45 0.00 0.00 -0.04 0.00 0.00 63.50 62.01 2rqe n PRO 53 Cb 0.00 -1.36 0.00 0.00 -0.04 0.00 0.00 33.50 32.10 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 -4.29 0.48 -2.66 0.54 2.85 -1.19 -4.92 118.16 108.97 2rqe n LYS 54 Ca 0.13 0.00 -0.09 0.00 -1.05 0.00 0.00 58.31 57.29 2rqe n LYS 54 Cb 0.49 -0.61 0.03 0.00 -0.65 0.00 0.00 35.03 34.29 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 -1.21 1.65 0.00 -5.58 2.85 -1.26 -4.94 115.26 106.77 2rqe n ASN 55 Ca 0.00 -2.72 0.00 0.00 -0.11 0.00 0.00 54.58 51.75 2rqe n ASN 55 Cb 0.11 -0.52 0.00 0.00 1.24 0.00 0.00 39.78 40.61 2rqe n ASN 55 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2rqe n GLY 56 N -0.13 2.79 3.48 8.20 0.00 -1.26 -4.95 105.19 113.32 2rqe n GLY 56 Ca 0.11 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.07 1.68 -0.98 1.61 3.00 -1.26 -4.28 118.95 118.64 2rqe s ARG 57 Ca 0.00 -1.91 -0.17 0.00 0.00 0.00 0.00 55.73 53.65 2rqe s ARG 57 Cb 0.00 -1.12 0.15 0.00 0.00 0.00 0.00 34.95 33.97 2rqe s ARG 57 CO 0.00 -0.08 1.17 -1.58 0.00 0.00 0.00 175.30 174.80 2rqe s TRP 58 N -3.08 3.24 0.05 -0.53 0.52 -0.95 -3.20 118.94 115.00 2rqe s TRP 58 Ca 0.34 -1.59 -0.15 0.00 0.02 0.00 0.00 56.10 54.72 2rqe s TRP 58 Cb 0.07 -4.26 -0.06 0.00 -1.15 0.00 0.00 33.47 28.07 2rqe s TRP 58 CO 0.15 -1.44 0.47 0.42 0.02 0.00 0.00 176.95 176.57 2rqe s ILE 59 N 2.28 4.94 0.02 2.03 1.01 -1.26 -2.29 121.20 127.92 2rqe s ILE 59 Ca 0.34 0.88 0.01 0.00 0.00 0.00 0.00 60.65 61.88 2rqe s ILE 59 Cb -0.05 -3.75 -0.02 0.00 0.01 0.00 0.00 42.46 38.65 2rqe s ILE 59 CO -0.08 0.48 -0.04 0.12 0.00 0.00 0.00 174.94 175.42 2rqe s PHE 60 N -1.20 0.37 -0.00 3.97 5.36 -0.82 -4.95 117.98 120.71 2rqe s PHE 60 Ca 0.29 -0.38 0.01 0.00 -0.96 0.00 0.00 56.93 55.89 2rqe s PHE 60 Cb -0.17 -0.24 -0.00 0.00 -0.34 0.00 0.00 43.02 42.27 2rqe s PHE 60 CO 0.16 -0.10 -0.02 1.03 -1.46 0.00 0.00 175.22 174.83 2rqe s ARG 61 N -1.08 0.20 -0.01 10.12 3.00 -1.26 -0.66 118.95 129.25 2rqe s ARG 61 Ca -0.09 -0.07 0.08 0.00 0.00 0.00 0.00 55.73 55.64 2rqe s ARG 61 Cb -0.07 -0.20 -0.02 0.00 0.00 0.00 0.00 34.95 34.65 2rqe s ARG 61 CO -0.00 0.04 -0.26 -0.51 0.00 0.00 0.00 175.30 174.57 2rqe s ASP 62 N 0.01 3.02 -0.36 0.23 1.11 0.72 -4.94 116.67 116.47 2rqe s ASP 62 Ca 0.00 -0.48 0.07 0.00 0.18 0.00 0.00 52.55 52.32 2rqe s ASP 62 Cb -0.02 -0.33 0.55 0.00 1.07 0.00 0.00 42.92 44.19 2rqe s ASP 62 CO -0.00 0.31 1.61 0.54 1.18 0.00 0.00 175.17 178.80 2rqe n ARG 63 N 2.36 2.07 -0.49 8.23 5.12 -1.26 0.50 116.66 133.19 2rqe n ARG 63 Ca -0.16 -3.20 0.00 0.00 -1.93 0.00 0.00 57.85 52.56 2rqe n ARG 63 Cb 0.51 -1.96 0.00 0.00 -1.16 0.00 0.00 32.46 29.85 2rqe n ARG 63 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 2rqe n ASN 64 N -1.10 0.00 -4.24 0.55 3.02 -1.26 -4.63 115.26 107.60 2rqe n ASN 64 Ca 0.43 -1.97 -0.36 0.00 -0.03 0.00 0.00 54.58 52.65 2rqe n ASN 64 Cb 1.19 -0.19 -0.13 0.00 -0.61 0.00 0.00 39.78 40.03 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 0.00 2.88 -0.86 5.41 0.00 -1.26 -4.90 121.76 123.04 2rqe s ALA 65 Ca 0.00 -1.61 -0.04 0.00 0.00 0.00 0.00 51.96 50.30 2rqe s ALA 65 Cb 0.00 -1.99 0.21 0.00 0.00 0.00 0.00 23.12 21.35 2rqe s ALA 65 CO 0.00 -1.09 0.75 0.00 0.00 0.00 0.00 175.76 175.42 2rqe s ALA 66 N 1.36 4.15 0.26 0.00 0.00 -1.26 -0.14 121.76 126.13 2rqe s ALA 66 Ca -0.01 -3.65 0.01 0.00 0.00 0.00 0.00 51.96 48.31 2rqe s ALA 66 Cb -0.18 -2.97 -0.05 0.00 0.00 0.00 0.00 23.12 19.92 2rqe s ALA 66 CO -0.00 -2.16 0.12 -0.48 0.00 0.00 0.00 175.76 173.23 2rqe s LEU 67 N -0.88 1.57 0.11 0.00 -0.00 -1.26 -4.95 118.68 113.28 2rqe s LEU 67 Ca 0.24 -1.43 -0.21 0.00 -0.00 0.00 0.00 54.13 52.74 2rqe s LEU 67 Cb -0.11 0.12 0.05 0.00 -0.00 0.00 0.00 46.19 46.26 2rqe s LEU 67 CO -0.09 -0.79 0.51 -1.59 -0.00 0.00 0.00 176.35 174.39 2rqe s LYS 68 N -3.99 1.14 -0.30 1.48 0.00 -1.26 -4.21 119.74 112.59 2rqe s LYS 68 Ca 0.37 -0.48 -0.28 0.00 0.00 0.00 0.00 55.97 55.59 2rqe s LYS 68 Cb 0.07 0.52 -0.12 0.00 0.00 0.00 0.00 37.83 38.30 2rqe s LYS 68 CO 0.14 -0.46 1.13 -0.89 0.00 0.00 0.00 175.35 175.28 2rqe n ILE 69 N -0.10 0.00 0.00 3.79 2.08 -1.26 -1.82 119.36 122.05 2rqe n ILE 69 Ca -0.17 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.14 2rqe n ILE 69 Cb 0.63 -0.30 0.00 0.00 -0.75 0.00 0.00 39.64 39.22 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 3.48 1.16 0.92 7.39 0.00 -1.10 -5.04 105.19 111.99 2rqe n GLY 70 Ca 0.26 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.20 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 -0.96 -4.12 1.61 8.00 -0.76 -4.79 116.55 115.53 2rqe n ASP 71 Ca 0.00 -0.78 -0.11 0.00 0.71 0.00 0.00 54.79 54.61 2rqe n ASP 71 Cb 0.00 -0.26 -0.09 0.00 -0.02 0.00 0.00 41.12 40.76 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 -3.66 1.19 -0.05 -1.24 1.02 -1.26 -1.77 119.74 113.97 2rqe s LYS 72 Ca 0.18 -1.45 -0.07 0.00 0.02 0.00 0.00 55.97 54.65 2rqe s LYS 72 Cb -0.01 0.31 0.01 0.00 -0.52 0.00 0.00 37.83 37.62 2rqe s LYS 72 CO 0.14 -0.41 0.18 0.42 -0.92 0.00 0.00 175.35 174.76 2rqe s ILE 73 N -4.08 0.03 -0.23 2.17 1.01 0.72 -3.03 121.20 117.79 2rqe s ILE 73 Ca 0.30 -0.21 -0.03 0.00 0.00 0.00 0.00 60.65 60.70 2rqe s ILE 73 Cb 0.05 -0.33 0.11 0.00 0.01 0.00 0.00 42.46 42.31 2rqe s ILE 73 CO 0.07 -0.12 0.28 -0.31 0.00 0.00 0.00 174.94 174.87 2rqe s TYR 74 N -0.37 -0.48 0.00 3.97 1.51 -1.26 0.17 117.35 120.89 2rqe s TYR 74 Ca -0.05 0.37 0.00 0.00 -1.01 0.00 0.00 57.07 56.38 2rqe s TYR 74 Cb -0.03 -0.25 0.00 0.00 -0.11 0.00 0.00 41.96 41.57 2rqe s TYR 74 CO 0.01 -0.68 0.00 1.97 -1.11 0.00 0.00 175.55 175.73 2rqe n PHE 75 N 5.33 -0.31 -3.76 2.71 -1.74 -1.26 -4.04 117.46 114.39 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 0.49 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 1.67 -0.56 0.00 0.00 176.76 177.87 2rqe s TRP 76 N -4.64 -0.28 0.10 2.97 -2.14 -1.25 -3.23 118.94 110.47 2rqe s TRP 76 Ca 0.00 0.61 0.07 0.00 2.66 0.00 0.00 56.10 59.44 2rqe s TRP 76 Cb 0.00 0.11 -0.04 0.00 -3.10 0.00 0.00 33.47 30.44 2rqe s TRP 76 CO 0.00 -0.26 -0.11 0.95 -2.66 0.00 0.00 176.95 174.88 2rqe s THR 77 N -0.45 3.33 0.00 0.66 -4.23 -1.25 -4.14 115.64 109.57 2rqe s THR 77 Ca -0.06 -1.27 0.06 0.00 -1.18 0.00 0.00 61.69 59.25 2rqe s THR 77 Cb -0.04 -2.55 -0.03 0.00 1.34 0.00 0.00 72.50 71.23 2rqe s THR 77 CO 0.02 0.13 -0.17 -0.36 -0.54 0.00 0.00 174.62 173.70 2rqe s PHE 78 N -1.20 2.60 0.22 3.99 0.40 -1.19 -1.43 117.98 121.37 2rqe s PHE 78 Ca 0.21 -0.23 -0.02 0.00 -0.60 0.00 0.00 56.93 56.29 2rqe s PHE 78 Cb -0.11 -1.53 -0.03 0.00 0.51 0.00 0.00 43.02 41.86 2rqe s PHE 78 CO 0.13 0.21 0.20 0.14 0.70 0.00 0.00 175.22 176.60 2rqe s VAL 79 N -0.84 0.00 -0.32 -0.44 -7.23 0.59 -0.68 120.40 111.48 2rqe s VAL 79 Ca 0.13 -1.91 0.01 0.00 -1.81 0.00 0.00 61.98 58.40 2rqe s VAL 79 Cb -0.11 -2.46 0.14 0.00 0.56 0.00 0.00 36.38 34.52 2rqe s VAL 79 CO 0.03 0.00 0.33 -0.63 -0.31 0.00 0.00 175.10 174.52 2rqe s ILE 80 N -4.07 -0.38 -0.04 -0.62 1.01 -0.82 -1.66 121.20 114.63 2rqe s ILE 80 Ca 0.37 -0.69 0.03 0.00 0.00 0.00 0.00 60.65 60.36 2rqe s ILE 80 Cb 0.05 -0.88 -0.03 0.00 0.01 0.00 0.00 42.46 41.62 2rqe s ILE 80 CO 0.13 -0.51 -0.11 -0.75 0.00 0.00 0.00 174.94 173.70 2rqe s LYS 81 N 2.01 2.56 -1.61 2.79 2.20 -1.26 -0.65 119.74 125.77 2rqe s LYS 81 Ca 0.12 -0.67 -0.20 0.00 -0.36 0.00 0.00 55.97 54.87 2rqe s LYS 81 Cb -0.14 -2.45 0.20 0.00 -1.51 0.00 0.00 37.83 33.92 2rqe s LYS 81 CO -0.21 0.63 0.54 -3.47 -0.36 0.00 0.00 175.35 172.48 2rqe n ASP 82 N 2.15 -1.94 -3.96 1.43 2.03 -1.26 0.91 116.55 115.91 2rqe n ASP 82 Ca -0.17 -0.98 -0.31 0.00 0.52 0.00 0.00 54.79 53.85 2rqe n ASP 82 Cb 0.52 -1.69 0.02 0.00 -0.72 0.00 0.00 41.12 39.25 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 -1.02 -0.47 0.31 0.27 0.00 -1.26 -4.87 105.19 98.14 2rqe n GLY 83 Ca 0.10 0.18 -0.21 0.00 0.00 0.00 0.00 46.02 46.09 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 -4.61 1.73 -0.67 0.99 4.77 0.26 -5.12 117.00 114.35 2rqe n LEU 84 Ca 0.02 0.19 0.00 0.00 -0.03 0.00 0.00 56.01 56.19 2rqe n LEU 84 Cb 0.53 -0.62 0.00 0.00 -2.33 0.00 0.00 43.42 41.00 2rqe n LEU 84 CO 0.77 0.50 0.00 0.61 -1.33 0.00 0.00 177.39 177.94 2rqe n GLY 85 N 1.85 -1.31 3.52 -0.72 0.00 -1.25 -4.95 105.19 102.33 2rqe n GLY 85 Ca -0.40 -0.69 -0.24 0.00 0.00 0.00 0.00 46.02 44.69 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 2.22 -0.29 1.61 2.02 -0.66 -4.96 117.35 117.28 2rqe s TYR 86 Ca 0.00 -0.78 -0.25 0.00 -0.37 0.00 0.00 57.07 55.67 2rqe s TYR 86 Cb 0.00 -1.47 0.17 0.00 -0.40 0.00 0.00 41.96 40.26 2rqe s TYR 86 CO 0.00 0.26 1.31 0.50 -1.57 0.00 0.00 175.55 176.05 2rqe s ARG 87 N -3.78 0.21 0.46 -0.62 3.52 -1.26 -0.30 118.95 117.18 2rqe s ARG 87 Ca 0.35 0.25 -0.12 0.00 -0.13 0.00 0.00 55.73 56.08 2rqe s ARG 87 Cb 0.08 0.10 -0.06 0.00 -1.56 0.00 0.00 34.95 33.51 2rqe s ARG 87 CO 0.16 -0.02 0.85 -1.14 -0.81 0.00 0.00 175.30 174.33 2rqe s GLN 88 N 0.09 3.79 0.00 5.12 2.00 -0.52 -4.34 119.66 125.81 2rqe s GLN 88 Ca 0.06 0.60 0.00 0.00 -2.00 0.00 0.00 55.36 54.02 2rqe s GLN 88 Cb -0.05 -2.30 0.00 0.00 0.80 0.00 0.00 33.01 31.46 2rqe s GLN 88 CO -0.13 -0.15 0.00 -0.40 -0.50 0.00 0.00 175.29 174.11 2rqe n ASP 89 N -1.55 0.20 0.00 6.67 5.75 -1.26 -3.92 116.55 122.44 2rqe n ASP 89 Ca 0.04 -0.95 0.00 0.00 -0.01 0.00 0.00 54.79 53.87 2rqe n ASP 89 Cb 0.54 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.63 2rqe n ASP 89 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 2rqe n ASN 90 N -2.65 0.00 -3.37 -1.12 4.05 -1.26 -4.69 115.26 106.21 2rqe n ASN 90 Ca 0.00 0.00 -0.25 0.00 0.45 0.00 0.00 54.58 54.78 2rqe n ASN 90 Cb 0.00 0.00 0.03 0.00 1.23 0.00 0.00 39.78 41.04 2rqe n ASN 90 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2rqe n GLY 91 N 0.00 -0.01 3.23 8.20 0.00 -1.20 -4.89 105.19 110.52 2rqe n GLY 91 Ca 0.00 0.79 0.04 0.00 0.00 0.00 0.00 46.02 46.85 2rqe n GLY 91 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2rqe s GLU 92 N -1.98 0.30 -0.27 1.61 2.12 -1.20 -4.39 118.70 114.89 2rqe s GLU 92 Ca 0.25 0.59 -0.03 0.00 0.36 0.00 0.00 54.97 56.15 2rqe s GLU 92 Cb -0.03 0.34 0.15 0.00 0.26 0.00 0.00 34.13 34.86 2rqe s GLU 92 CO 0.59 -0.26 0.48 -1.58 -0.54 0.00 0.00 175.26 173.96 2rqe s TRP 93 N 2.79 -1.17 0.16 5.30 0.51 0.13 -4.97 118.94 121.68 2rqe s TRP 93 Ca 0.03 1.30 -0.26 0.00 -2.12 0.00 0.00 56.10 55.06 2rqe s TRP 93 Cb -0.10 0.30 -0.08 0.00 -0.81 0.00 0.00 33.47 32.78 2rqe s TRP 93 CO -0.15 -0.77 0.79 0.99 -0.51 0.00 0.00 176.95 177.30 2rqe s THR 94 N 2.70 4.39 -0.18 2.01 2.01 -1.26 -0.20 115.64 125.11 2rqe s THR 94 Ca 0.15 1.73 -0.29 0.00 0.31 0.00 0.00 61.69 63.58 2rqe s THR 94 Cb -0.15 -4.15 -0.03 0.00 0.01 0.00 0.00 72.50 68.18 2rqe s THR 94 CO -0.18 0.50 1.58 -0.69 -0.69 0.00 0.00 174.62 175.15 2rqe s VAL 95 N -1.00 3.73 -0.00 3.82 1.01 -0.73 -4.79 120.40 122.44 2rqe s VAL 95 Ca 0.37 0.85 0.00 0.00 0.00 0.00 0.00 61.98 63.20 2rqe s VAL 95 Cb -0.23 -3.68 0.00 0.00 0.00 0.00 0.00 36.38 32.47 2rqe s VAL 95 CO 0.26 -0.22 0.55 -0.62 0.00 0.00 0.00 175.10 175.07 2rqe n GLU 96 N 7.42 0.20 -4.09 2.72 1.02 -1.26 -2.71 120.64 123.93 2rqe n GLU 96 Ca 0.18 -0.58 -0.26 0.00 -0.02 0.00 0.00 57.16 56.47 2rqe n GLU 96 Cb 0.45 -0.54 -0.04 0.00 -0.02 0.00 0.00 31.44 31.29 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 3.48 3.34 0.62 0.00 -1.26 -5.05 105.19 106.28 2rqe n GLY 97 Ca 0.00 -2.33 -0.14 0.00 0.00 0.00 0.00 46.02 43.55 2rqe n GLY 97 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2rqe s PHE 98 N -2.49 -0.32 0.18 1.61 0.08 -1.26 -3.83 117.98 111.94 2rqe s PHE 98 Ca 0.05 0.44 -0.24 0.00 0.12 0.00 0.00 56.93 57.30 2rqe s PHE 98 Cb -0.00 0.22 0.06 0.00 -0.57 0.00 0.00 43.02 42.72 2rqe s PHE 98 CO 0.03 -0.52 0.93 0.14 -0.10 0.00 0.00 175.22 175.70 2rqe s VAL 99 N -1.79 0.00 -0.03 -0.44 -7.23 -1.08 -4.63 120.40 105.21 2rqe s VAL 99 Ca -0.10 -0.72 0.00 0.00 -1.81 0.00 0.00 61.98 59.36 2rqe s VAL 99 Cb -0.02 -2.05 0.03 0.00 0.56 0.00 0.00 36.38 34.90 2rqe s VAL 99 CO 0.03 0.00 0.01 -1.81 -0.31 0.00 0.00 175.10 173.02 2rqe s ASP 100 N -2.96 0.38 -0.30 4.85 1.11 -1.26 -3.85 116.67 114.64 2rqe s ASP 100 Ca 0.13 0.00 -0.03 0.00 0.18 0.00 0.00 52.55 52.83 2rqe s ASP 100 Cb -0.02 -0.17 0.05 0.00 1.07 0.00 0.00 42.92 43.85 2rqe s ASP 100 CO 0.03 -0.12 2.61 1.21 1.18 0.00 0.00 175.17 180.08 2rqe n GLU 101 N 4.25 2.03 0.00 8.23 4.07 -1.26 -5.07 120.64 132.89 2rqe n GLU 101 Ca -0.25 -1.68 0.14 0.00 -0.06 0.00 0.00 57.16 55.31 2rqe n GLU 101 Cb 0.50 -1.86 0.60 0.00 -0.06 0.00 0.00 31.44 30.62 2rqe n GLU 101 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07