#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 0.56 -0.87 2.98 1.02 -1.26 -5.02 120.64 118.06 2rqe n GLU 2 Ca 0.00 -3.03 0.00 0.00 -0.02 0.00 0.00 57.16 54.11 2rqe n GLU 2 Cb 0.00 -1.37 0.00 0.00 -0.02 0.00 0.00 31.44 30.05 2rqe n GLU 2 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2rqe n ALA 3 N 1.88 -1.51 -1.17 0.62 0.00 -1.26 -3.77 120.51 115.30 2rqe n ALA 3 Ca 0.22 0.26 -0.29 0.00 0.00 0.00 0.00 53.44 53.63 2rqe n ALA 3 Cb 0.53 -1.01 0.17 0.00 0.00 0.00 0.00 19.45 19.13 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 -4.75 0.61 0.16 0.00 0.04 -1.26 -4.86 135.00 124.94 2rqe s PRO 4 Ca 0.00 0.60 -0.30 0.00 0.04 0.00 0.00 61.00 61.34 2rqe s PRO 4 Cb 0.00 -1.75 -0.08 0.00 0.04 0.00 0.00 34.50 32.71 2rqe s PRO 4 CO 0.00 -2.63 1.33 -1.25 0.04 0.00 0.00 177.00 174.49 2rqe s PRO 5 N -4.95 4.37 0.10 0.56 0.04 -1.26 -4.96 135.00 128.90 2rqe s PRO 5 Ca 0.65 2.04 -0.29 0.00 0.04 0.00 0.00 61.00 63.44 2rqe s PRO 5 Cb -0.18 -3.22 -0.06 0.00 0.04 0.00 0.00 34.50 31.08 2rqe s PRO 5 CO 0.57 -0.31 0.92 0.00 0.04 0.00 0.00 177.00 178.22 2rqe s ALA 6 N 0.49 3.28 -1.19 8.56 0.00 -1.26 -4.58 121.76 127.05 2rqe s ALA 6 Ca 0.59 0.52 -0.11 0.00 0.00 0.00 0.00 51.96 52.96 2rqe s ALA 6 Cb -0.36 -3.22 0.21 0.00 0.00 0.00 0.00 23.12 19.75 2rqe s ALA 6 CO 0.35 0.01 1.45 2.41 0.00 0.00 0.00 175.76 179.98 2rqe n THR 7 N 2.72 4.46 -2.55 0.00 -1.04 0.19 -4.97 114.28 113.08 2rqe n THR 7 Ca 0.01 -4.95 -0.42 0.00 -2.04 0.00 0.00 64.05 56.65 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 0.12 3.49 0.00 -4.42 1.02 -1.26 -2.02 118.68 115.62 2rqe s LEU 8 Ca 0.38 0.25 -0.06 0.00 0.02 0.00 0.00 54.13 54.72 2rqe s LEU 8 Cb -0.01 -3.27 0.08 0.00 0.02 0.00 0.00 46.19 43.01 2rqe s LEU 8 CO -0.01 -1.45 0.49 -0.62 0.02 0.00 0.00 176.35 174.78 2rqe n GLU 9 N 8.31 -0.49 -3.64 1.70 -0.58 0.22 -4.72 120.64 121.44 2rqe n GLU 9 Ca 0.10 -0.75 -0.27 0.00 -0.42 0.00 0.00 57.16 55.82 2rqe n GLU 9 Cb 0.49 -0.50 -0.11 0.00 -0.57 0.00 0.00 31.44 30.75 2rqe n GLU 9 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2rqe n ALA 10 N -3.32 3.16 -1.20 0.62 0.00 -1.25 -4.46 120.51 114.07 2rqe n ALA 10 Ca -0.08 -3.85 -0.29 0.00 0.00 0.00 0.00 53.44 49.22 2rqe n ALA 10 Cb 0.21 -0.89 0.19 0.00 0.00 0.00 0.00 19.45 18.96 2rqe n ALA 10 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2rqe s ILE 11 N -0.78 1.88 1.14 0.00 -1.09 -1.26 -2.51 121.20 118.58 2rqe s ILE 11 Ca 0.29 0.00 -0.18 0.00 -2.23 0.00 0.00 60.65 58.53 2rqe s ILE 11 Cb 0.00 -2.53 0.15 0.00 -1.58 0.00 0.00 42.46 38.51 2rqe s ILE 11 CO -0.18 0.00 0.18 1.41 -1.23 0.00 0.00 174.94 175.12 2rqe n HIS 12 N -4.33 -1.65 0.50 3.97 8.25 -1.25 -4.68 115.22 116.03 2rqe n HIS 12 Ca 0.08 0.03 0.00 0.00 -0.26 0.00 0.00 57.72 57.57 2rqe n HIS 12 Cb 0.58 -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 -2.56 0.49 -0.63 -0.41 -0.04 -1.26 -2.38 135.00 128.22 2rqe n PRO 13 Ca 0.02 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.54 2rqe n PRO 13 Cb 0.58 -1.24 0.11 0.00 -0.04 0.00 0.00 33.50 32.92 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 0.24 0.88 -2.91 0.54 2.85 -1.26 -4.04 118.16 114.46 2rqe n LYS 14 Ca 0.00 -2.41 0.00 0.00 -1.05 0.00 0.00 58.31 54.85 2rqe n LYS 14 Cb 0.12 -1.04 0.00 0.00 -0.65 0.00 0.00 35.03 33.46 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 -0.66 -1.87 3.25 2.58 0.00 -0.93 -4.14 105.19 103.43 2rqe n GLY 15 Ca 0.12 -1.50 -0.10 0.00 0.00 0.00 0.00 46.02 44.54 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 0.94 -0.06 0.99 2.96 -0.46 -4.09 118.68 118.96 2rqe s LEU 16 Ca 0.00 -0.40 0.03 0.00 -0.22 0.00 0.00 54.13 53.55 2rqe s LEU 16 Cb 0.00 1.38 0.00 0.00 0.50 0.00 0.00 46.19 48.08 2rqe s LEU 16 CO 0.00 -0.73 -0.16 -0.60 -1.32 0.00 0.00 176.35 173.54 2rqe s ARG 17 N -3.41 1.91 -0.13 1.98 3.52 -1.26 -0.15 118.95 121.41 2rqe s ARG 17 Ca 0.01 -0.56 -0.04 0.00 -0.13 0.00 0.00 55.73 55.01 2rqe s ARG 17 Cb 0.02 -1.58 0.06 0.00 -1.56 0.00 0.00 34.95 31.88 2rqe s ARG 17 CO -0.09 0.15 0.11 0.08 -0.81 0.00 0.00 175.30 174.74 2rqe s VAL 18 N 0.32 -0.16 0.23 7.11 1.01 -0.05 0.72 120.40 129.58 2rqe s VAL 18 Ca -0.10 0.07 0.12 0.00 0.00 0.00 0.00 61.98 62.07 2rqe s VAL 18 Cb -0.14 -0.44 -0.05 0.00 0.00 0.00 0.00 36.38 35.75 2rqe s VAL 18 CO 0.04 -0.09 -0.22 -0.55 0.00 0.00 0.00 175.10 174.28 2rqe s SER 19 N 2.20 3.50 0.04 3.32 0.15 -0.85 -1.02 113.70 121.03 2rqe s SER 19 Ca 0.04 -0.93 0.00 0.00 0.70 0.00 0.00 55.95 55.76 2rqe s SER 19 Cb -0.14 -0.28 -0.03 0.00 -1.71 0.00 0.00 66.02 63.86 2rqe s SER 19 CO -0.07 0.09 -0.04 0.68 1.20 0.00 0.00 173.24 175.09 2rqe s VAL 20 N -2.01 0.25 -0.06 4.45 -7.23 0.10 0.54 120.40 116.43 2rqe s VAL 20 Ca 0.25 -1.19 -0.30 0.00 -1.81 0.00 0.00 61.98 58.93 2rqe s VAL 20 Cb -0.07 -0.67 -0.05 0.00 0.56 0.00 0.00 36.38 36.16 2rqe s VAL 20 CO 0.12 -0.60 1.50 -2.16 -0.31 0.00 0.00 175.10 173.64 2rqe s PRO 21 N -2.13 4.22 0.00 4.82 0.04 -1.26 -1.79 135.00 138.90 2rqe s PRO 21 Ca -0.08 2.01 0.00 0.00 0.04 0.00 0.00 61.00 62.97 2rqe s PRO 21 Cb -0.05 -3.82 0.00 0.00 0.04 0.00 0.00 34.50 30.66 2rqe s PRO 21 CO -0.03 -0.75 0.42 -3.47 0.04 0.00 0.00 177.00 173.21 2rqe n ASP 22 N 6.55 0.00 0.00 6.66 2.03 -1.26 -4.85 116.55 125.68 2rqe n ASP 22 Ca 0.15 0.42 0.00 0.00 0.52 0.00 0.00 54.79 55.88 2rqe n ASP 22 Cb 0.43 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.83 2rqe n ASP 22 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 2rqe n GLU 23 N -0.51 0.00 0.00 -0.67 4.07 -1.26 -3.34 120.64 118.93 2rqe n GLU 23 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 2rqe n GLU 23 Cb 0.00 -1.08 0.00 0.00 -0.06 0.00 0.00 31.44 30.30 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 -2.00 -0.40 3.36 8.31 0.00 -1.26 -5.08 105.19 108.12 2rqe n GLY 24 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 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 0.00 -1.30 -0.51 1.61 3.72 -1.21 -3.96 117.46 115.81 2rqe n PHE 25 Ca 0.00 0.13 0.00 0.00 -0.05 0.00 0.00 57.45 57.53 2rqe n PHE 25 Cb 0.00 -1.66 0.00 0.00 -0.94 0.00 0.00 39.48 36.88 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 -2.24 0.27 -3.64 4.37 2.88 0.54 -4.85 113.62 110.94 2rqe n SER 26 Ca 0.03 -0.81 -0.07 0.00 -1.33 0.00 0.00 58.87 56.69 2rqe n SER 26 Cb 0.58 0.08 -0.07 0.00 -0.75 0.00 0.00 64.21 64.05 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 -0.16 -0.32 0.07 2.46 1.98 -1.19 -4.72 118.68 116.80 2rqe s LEU 27 Ca 0.00 0.62 0.03 0.00 -2.89 0.00 0.00 54.13 51.89 2rqe s LEU 27 Cb 0.00 1.63 -0.03 0.00 0.66 0.00 0.00 46.19 48.45 2rqe s LEU 27 CO 0.00 -0.11 -0.10 0.12 -1.89 0.00 0.00 176.35 174.37 2rqe s PHE 28 N 0.22 0.94 0.05 5.38 5.36 0.29 -1.74 117.98 128.49 2rqe s PHE 28 Ca 0.04 -0.57 -0.03 0.00 -0.96 0.00 0.00 56.93 55.41 2rqe s PHE 28 Cb -0.05 -0.53 -0.03 0.00 -0.34 0.00 0.00 43.02 42.07 2rqe s PHE 28 CO -0.10 -0.03 0.03 0.00 -1.46 0.00 0.00 175.22 173.66 2rqe s ALA 29 N -1.87 0.28 -0.03 11.12 0.00 -0.38 0.51 121.76 131.39 2rqe s ALA 29 Ca -0.01 -0.99 -0.00 0.00 0.00 0.00 0.00 51.96 50.96 2rqe s ALA 29 Cb -0.07 0.30 0.03 0.00 0.00 0.00 0.00 23.12 23.39 2rqe s ALA 29 CO 0.00 -0.38 0.03 0.12 0.00 0.00 0.00 175.76 175.53 2rqe s PHE 30 N -3.63 0.14 -0.41 0.00 2.19 0.37 -3.50 117.98 113.14 2rqe s PHE 30 Ca 0.04 0.11 0.05 0.00 0.33 0.00 0.00 56.93 57.46 2rqe s PHE 30 Cb 0.05 -0.36 0.17 0.00 -1.31 0.00 0.00 43.02 41.57 2rqe s PHE 30 CO -0.09 -0.13 0.50 -1.01 1.83 0.00 0.00 175.22 176.32 2rqe s HIS 31 N 1.35 -0.83 0.24 10.12 3.76 -1.24 -1.57 115.29 127.11 2rqe s HIS 31 Ca -0.05 -0.56 0.01 0.00 -0.15 0.00 0.00 55.06 54.30 2rqe s HIS 31 Cb -0.13 -0.11 -0.00 0.00 1.11 0.00 0.00 32.58 33.45 2rqe s HIS 31 CO -0.03 -1.07 0.30 0.41 -0.85 0.00 0.00 174.74 173.50 2rqe n GLY 32 N 4.02 2.65 0.00 -2.22 0.00 -1.23 -3.82 105.19 104.59 2rqe n GLY 32 Ca 0.13 -1.62 0.00 0.00 0.00 0.00 0.00 46.02 44.54 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 -0.41 0.82 -4.24 1.61 5.02 -1.26 -1.02 118.16 118.68 2rqe n LYS 33 Ca 0.02 0.00 -0.18 0.00 -2.02 0.00 0.00 58.31 56.13 2rqe n LYS 33 Cb 0.41 0.00 -0.13 0.00 -0.02 0.00 0.00 35.03 35.29 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 2.20 -0.10 -0.35 2.96 -1.26 -4.23 118.68 117.90 2rqe s LEU 34 Ca 0.00 -0.48 -0.01 0.00 -0.22 0.00 0.00 54.13 53.42 2rqe s LEU 34 Cb 0.00 -0.46 0.01 0.00 0.50 0.00 0.00 46.19 46.24 2rqe s LEU 34 CO 0.00 -0.04 0.03 0.59 -1.32 0.00 0.00 176.35 175.61 2rqe n ASN 35 N 1.77 -1.04 -3.64 3.68 5.03 -1.13 -4.82 115.26 115.11 2rqe n ASN 35 Ca -0.19 0.41 -0.06 0.00 0.87 0.00 0.00 54.58 55.61 2rqe n ASN 35 Cb 0.55 -1.03 -0.06 0.00 -1.02 0.00 0.00 39.78 38.22 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 -5.10 0.68 0.00 3.52 2.56 -1.26 -5.11 118.70 113.99 2rqe s GLU 36 Ca 0.04 1.28 -0.02 0.00 0.00 0.00 0.00 54.97 56.27 2rqe s GLU 36 Cb -0.03 0.32 -0.04 0.00 2.00 0.00 0.00 34.13 36.38 2rqe s GLU 36 CO 0.05 -0.16 0.19 -1.83 -0.56 0.00 0.00 175.26 172.95 2rqe s GLU 37 N 1.94 3.44 0.29 4.30 -1.05 -1.26 -4.50 118.70 121.86 2rqe s GLU 37 Ca -0.09 -0.34 0.04 0.00 -0.15 0.00 0.00 54.97 54.44 2rqe s GLU 37 Cb -0.07 -3.09 0.04 0.00 -0.44 0.00 0.00 34.13 30.58 2rqe s GLU 37 CO -0.20 0.66 0.37 0.00 0.95 0.00 0.00 175.26 177.04 2rqe n MET 38 N 0.83 0.85 -3.88 -4.83 0.00 -1.26 -5.13 117.12 103.70 2rqe n MET 38 Ca -0.10 -1.62 -0.10 0.00 0.00 0.00 0.00 57.70 55.88 2rqe n MET 38 Cb 0.52 -0.06 -0.09 0.00 0.00 0.00 0.00 33.22 33.59 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 -3.30 0.64 -1.47 3.17 2.12 -1.26 -4.89 118.70 113.72 2rqe s GLU 39 Ca 0.28 -0.68 -0.07 0.00 0.36 0.00 0.00 54.97 54.86 2rqe s GLU 39 Cb -0.02 0.26 0.03 0.00 0.26 0.00 0.00 34.13 34.66 2rqe s GLU 39 CO 0.18 -0.17 0.68 0.41 -0.54 0.00 0.00 175.26 175.82 2rqe n GLY 40 N 0.75 -0.52 2.80 -1.50 0.00 -1.26 -3.65 105.19 101.81 2rqe n GLY 40 Ca -0.19 0.14 -0.16 0.00 0.00 0.00 0.00 46.02 45.81 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 -4.14 -2.36 -4.65 0.99 4.77 -1.26 -4.98 117.00 105.37 2rqe n LEU 41 Ca -0.06 0.09 -0.30 0.00 -0.03 0.00 0.00 56.01 55.71 2rqe n LEU 41 Cb 0.58 -1.24 -0.08 0.00 -2.33 0.00 0.00 43.42 40.35 2rqe n LEU 41 CO 0.53 -0.54 -0.23 -1.83 -1.33 0.00 0.00 177.39 174.00 2rqe s GLU 42 N -1.36 2.08 -0.74 3.23 -1.05 -1.24 -5.09 118.70 114.53 2rqe s GLU 42 Ca 0.16 -2.31 -0.24 0.00 -0.15 0.00 0.00 54.97 52.43 2rqe s GLU 42 Cb -0.02 -1.10 0.06 0.00 -0.44 0.00 0.00 34.13 32.63 2rqe s GLU 42 CO 0.35 -0.42 1.13 0.00 0.95 0.00 0.00 175.26 177.26 2rqe s ALA 43 N -3.02 2.98 0.00 -0.84 0.00 -1.26 -4.90 121.76 114.72 2rqe s ALA 43 Ca 0.14 -1.80 0.00 0.00 0.00 0.00 0.00 51.96 50.29 2rqe s ALA 43 Cb 0.02 -4.07 0.00 0.00 0.00 0.00 0.00 23.12 19.07 2rqe s ALA 43 CO 0.08 -3.04 0.00 0.41 0.00 0.00 0.00 175.76 173.21 2rqe n GLY 44 N 5.49 -2.80 0.32 0.00 0.00 -1.26 -4.96 105.19 101.98 2rqe n GLY 44 Ca 0.04 -0.20 -0.09 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.25 1.61 -0.00 -1.07 -4.98 115.22 108.53 2rqe n HIS 45 Ca 0.00 0.00 -0.37 0.00 0.46 0.00 0.00 57.72 57.81 2rqe n HIS 45 Cb 0.00 -0.44 -0.01 0.00 -0.12 0.00 0.00 29.99 29.42 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 -2.65 2.84 -0.24 1.57 0.51 -0.19 -4.95 118.94 115.84 2rqe s TRP 46 Ca -0.23 1.54 -0.08 0.00 -2.12 0.00 0.00 56.10 55.20 2rqe s TRP 46 Cb 0.04 -3.37 0.10 0.00 -0.81 0.00 0.00 33.47 29.44 2rqe s TRP 46 CO 0.34 -1.52 0.51 -1.54 -0.51 0.00 0.00 176.95 174.22 2rqe s SER 47 N -1.42 -0.59 0.09 2.95 1.04 -1.25 -3.46 113.70 111.05 2rqe s SER 47 Ca 0.65 1.21 -0.25 0.00 0.48 0.00 0.00 55.95 58.04 2rqe s SER 47 Cb -0.28 1.70 0.08 0.00 0.10 0.00 0.00 66.02 67.62 2rqe s SER 47 CO 0.34 -0.23 0.69 -0.60 0.98 0.00 0.00 173.24 174.42 2rqe s ARG 48 N 2.70 1.12 -0.13 4.02 3.00 -0.61 -5.00 118.95 124.06 2rqe s ARG 48 Ca -0.03 -0.34 -0.04 0.00 -1.00 0.00 0.00 55.73 54.31 2rqe s ARG 48 Cb -0.12 0.52 0.06 0.00 0.00 0.00 0.00 34.95 35.41 2rqe s ARG 48 CO -0.15 -0.48 0.17 0.34 0.00 0.00 0.00 175.30 175.18 2rqe s ASP 49 N -2.50 1.09 -0.44 -2.12 -1.08 -1.26 -0.48 116.67 109.88 2rqe s ASP 49 Ca 0.01 0.08 -0.16 0.00 -0.52 0.00 0.00 52.55 51.96 2rqe s ASP 49 Cb -0.01 0.26 0.04 0.00 -1.46 0.00 0.00 42.92 41.75 2rqe s ASP 49 CO -0.10 -0.28 0.39 -0.63 0.52 0.00 0.00 175.17 175.07 2rqe s ILE 50 N 2.29 5.18 -0.45 4.11 -1.09 0.18 -4.93 121.20 126.49 2rqe s ILE 50 Ca 0.04 -0.70 0.03 0.00 -2.23 0.00 0.00 60.65 57.79 2rqe s ILE 50 Cb -0.13 -4.05 0.57 0.00 -1.58 0.00 0.00 42.46 37.27 2rqe s ILE 50 CO -0.08 -0.46 1.87 0.35 -1.23 0.00 0.00 174.94 175.40 2rqe n THR 51 N 5.28 3.10 -3.20 2.92 -2.24 -1.26 -0.55 114.28 118.33 2rqe n THR 51 Ca -0.10 -1.93 0.04 0.00 -2.27 0.00 0.00 64.05 59.79 2rqe n THR 51 Cb 0.46 -0.64 -0.03 0.00 -2.10 0.00 0.00 70.33 68.02 2rqe n THR 51 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 2rqe s LYS 52 N -3.10 0.11 1.21 -0.78 2.20 -1.26 -4.91 119.74 113.21 2rqe s LYS 52 Ca 0.53 0.24 -0.20 0.00 -0.36 0.00 0.00 55.97 56.19 2rqe s LYS 52 Cb 0.44 0.14 0.29 0.00 -1.51 0.00 0.00 37.83 37.19 2rqe s LYS 52 CO 0.08 -0.07 1.11 -1.25 -0.36 0.00 0.00 175.35 174.86 2rqe s PRO 53 N 2.52 -1.31 -0.29 4.03 0.04 -1.26 -4.94 135.00 133.79 2rqe s PRO 53 Ca -0.03 -0.09 -0.19 0.00 0.04 0.00 0.00 61.00 60.73 2rqe s PRO 53 Cb -0.05 -1.59 0.14 0.00 0.04 0.00 0.00 34.50 33.04 2rqe s PRO 53 CO -0.13 -3.77 1.03 -1.59 0.04 0.00 0.00 177.00 172.58 2rqe s LYS 54 N -5.42 0.38 0.00 4.56 0.00 -0.11 -4.94 119.74 114.21 2rqe s LYS 54 Ca 0.71 0.58 0.00 0.00 0.00 0.00 0.00 55.97 57.27 2rqe s LYS 54 Cb -0.09 0.11 0.00 0.00 0.00 0.00 0.00 37.83 37.85 2rqe s LYS 54 CO 0.56 -0.07 0.00 -1.71 0.00 0.00 0.00 175.35 174.13 2rqe n ASN 55 N 3.17 -2.30 0.00 0.03 2.85 -1.26 -3.27 115.26 114.47 2rqe n ASN 55 Ca -0.16 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.31 2rqe n ASN 55 Cb 0.57 -0.38 0.00 0.00 1.24 0.00 0.00 39.78 41.21 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 -2.77 2.28 3.40 8.20 0.00 -1.26 -5.05 105.19 109.99 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 -0.71 1.70 -0.47 1.61 0.52 -1.20 -4.12 118.95 116.28 2rqe s ARG 57 Ca 0.00 -1.73 -0.20 0.00 -0.52 0.00 0.00 55.73 53.28 2rqe s ARG 57 Cb 0.00 0.39 0.04 0.00 0.52 0.00 0.00 34.95 35.90 2rqe s ARG 57 CO 0.00 -0.66 0.61 -1.58 0.02 0.00 0.00 175.30 173.69 2rqe s TRP 58 N -3.47 3.06 0.02 -0.53 0.52 -0.74 -0.93 118.94 116.87 2rqe s TRP 58 Ca 0.34 -0.31 0.01 0.00 0.02 0.00 0.00 56.10 56.16 2rqe s TRP 58 Cb 0.02 -3.39 -0.04 0.00 -1.15 0.00 0.00 33.47 28.91 2rqe s TRP 58 CO 0.19 -0.93 0.05 0.42 0.02 0.00 0.00 176.95 176.69 2rqe s ILE 59 N 2.68 4.42 0.02 2.03 1.01 -1.26 -0.72 121.20 129.37 2rqe s ILE 59 Ca 0.18 -0.61 0.02 0.00 0.00 0.00 0.00 60.65 60.24 2rqe s ILE 59 Cb -0.17 -3.04 -0.01 0.00 0.01 0.00 0.00 42.46 39.25 2rqe s ILE 59 CO 0.15 0.29 -0.06 0.12 0.00 0.00 0.00 174.94 175.44 2rqe s PHE 60 N -1.21 0.52 -0.03 3.97 5.36 -0.19 -4.95 117.98 121.45 2rqe s PHE 60 Ca 0.23 -0.27 0.01 0.00 -0.96 0.00 0.00 56.93 55.95 2rqe s PHE 60 Cb -0.12 -0.32 0.01 0.00 -0.34 0.00 0.00 43.02 42.25 2rqe s PHE 60 CO 0.15 -0.05 -0.05 1.03 -1.46 0.00 0.00 175.22 174.84 2rqe s ARG 61 N -0.77 0.73 0.20 10.12 3.00 -1.26 -0.87 118.95 130.10 2rqe s ARG 61 Ca -0.04 -0.16 0.11 0.00 0.00 0.00 0.00 55.73 55.65 2rqe s ARG 61 Cb -0.06 -0.73 -0.04 0.00 0.00 0.00 0.00 34.95 34.12 2rqe s ARG 61 CO 0.00 0.00 -0.20 -0.51 0.00 0.00 0.00 175.30 174.59 2rqe s ASP 62 N 0.52 3.63 -0.31 0.23 1.01 0.79 -4.95 116.67 117.59 2rqe s ASP 62 Ca -0.07 -0.83 0.09 0.00 0.71 0.00 0.00 52.55 52.46 2rqe s ASP 62 Cb -0.10 -0.36 0.46 0.00 1.01 0.00 0.00 42.92 43.93 2rqe s ASP 62 CO 0.00 0.10 1.16 0.54 0.21 0.00 0.00 175.17 177.18 2rqe n ARG 63 N 0.09 3.26 -0.76 8.23 1.74 -1.26 -1.35 116.66 126.60 2rqe n ARG 63 Ca -0.11 -4.11 -0.01 0.00 -0.77 0.00 0.00 57.85 52.85 2rqe n ARG 63 Cb 0.56 -2.15 -0.02 0.00 -1.02 0.00 0.00 32.46 29.83 2rqe n ARG 63 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 2rqe n ASN 64 N -0.64 -0.16 -4.04 0.55 0.23 -1.26 -4.69 115.26 105.26 2rqe n ASN 64 Ca 0.37 -1.59 -0.33 0.00 -0.53 0.00 0.00 54.58 52.50 2rqe n ASN 64 Cb 0.89 0.01 -0.12 0.00 -2.08 0.00 0.00 39.78 38.48 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 3.33 -1.18 -2.53 0.00 -1.26 -4.88 121.76 115.22 2rqe s ALA 65 Ca 0.04 -3.06 -0.14 0.00 0.00 0.00 0.00 51.96 48.80 2rqe s ALA 65 Cb 0.05 -2.35 0.16 0.00 0.00 0.00 0.00 23.12 20.98 2rqe s ALA 65 CO -0.02 -1.97 1.41 0.00 0.00 0.00 0.00 175.76 175.18 2rqe s ALA 66 N 0.17 3.93 0.41 0.00 0.00 -1.26 -2.19 121.76 122.81 2rqe s ALA 66 Ca 0.15 -3.29 0.05 0.00 0.00 0.00 0.00 51.96 48.87 2rqe s ALA 66 Cb -0.22 -4.13 -0.07 0.00 0.00 0.00 0.00 23.12 18.70 2rqe s ALA 66 CO -0.03 -2.81 0.02 -0.48 0.00 0.00 0.00 175.76 172.47 2rqe s LEU 67 N 1.76 2.63 -0.24 0.00 2.34 -1.26 -4.94 118.68 118.96 2rqe s LEU 67 Ca 0.42 -1.42 -0.21 0.00 0.06 0.00 0.00 54.13 52.98 2rqe s LEU 67 Cb -0.03 -0.75 0.06 0.00 -0.56 0.00 0.00 46.19 44.92 2rqe s LEU 67 CO -0.01 -0.56 0.63 -1.59 -1.06 0.00 0.00 176.35 173.77 2rqe s LYS 68 N -3.77 0.73 -0.07 1.48 0.00 -1.26 -4.10 119.74 112.75 2rqe s LYS 68 Ca 0.31 0.92 -0.06 0.00 0.00 0.00 0.00 55.97 57.14 2rqe s LYS 68 Cb 0.08 0.32 -0.03 0.00 0.00 0.00 0.00 37.83 38.21 2rqe s LYS 68 CO 0.15 -0.10 0.23 -0.89 0.00 0.00 0.00 175.35 174.74 2rqe n ILE 69 N 2.98 0.00 0.00 3.79 2.08 -1.26 -2.47 119.36 124.47 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 -0.07 0.00 0.00 -0.75 0.00 0.00 39.64 39.38 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 0.62 1.79 0.00 7.39 0.00 -1.20 -5.08 105.19 108.71 2rqe n GLY 70 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 -0.19 -3.79 1.61 9.92 -1.03 -4.84 116.55 118.23 2rqe n ASP 71 Ca 0.00 -0.83 -0.10 0.00 -0.53 0.00 0.00 54.79 53.34 2rqe n ASP 71 Cb 0.00 0.00 -0.06 0.00 -0.64 0.00 0.00 41.12 40.42 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 -2.76 1.05 0.03 -1.24 1.02 -1.26 -2.05 119.74 114.52 2rqe s LYS 72 Ca 0.00 -0.91 0.02 0.00 0.02 0.00 0.00 55.97 55.10 2rqe s LYS 72 Cb 0.00 0.41 -0.02 0.00 -0.52 0.00 0.00 37.83 37.71 2rqe s LYS 72 CO 0.00 -0.39 -0.07 0.42 -0.92 0.00 0.00 175.35 174.39 2rqe s ILE 73 N -3.87 0.54 -0.24 2.17 1.01 0.15 -2.83 121.20 118.13 2rqe s ILE 73 Ca 0.07 -0.81 -0.03 0.00 0.00 0.00 0.00 60.65 59.89 2rqe s ILE 73 Cb 0.03 -0.55 0.12 0.00 0.01 0.00 0.00 42.46 42.06 2rqe s ILE 73 CO -0.08 -0.20 0.29 -0.31 0.00 0.00 0.00 174.94 174.64 2rqe s TYR 74 N -0.96 -0.50 0.00 3.97 1.51 -1.26 -0.09 117.35 120.03 2rqe s TYR 74 Ca -0.06 0.28 0.00 0.00 -1.01 0.00 0.00 57.07 56.29 2rqe s TYR 74 Cb -0.07 -0.28 0.00 0.00 -0.11 0.00 0.00 41.96 41.50 2rqe s TYR 74 CO 0.00 -0.73 0.00 1.97 -1.11 0.00 0.00 175.55 175.68 2rqe n PHE 75 N 5.33 -0.49 -4.20 2.71 -1.74 -1.26 -4.15 117.46 113.66 2rqe n PHE 75 Ca -0.04 0.00 -0.12 0.00 -0.56 0.00 0.00 57.45 56.73 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 -5.53 1.05 0.21 2.97 1.48 -1.25 -3.47 118.94 114.40 2rqe s TRP 76 Ca 0.00 -1.02 0.04 0.00 -1.06 0.00 0.00 56.10 54.06 2rqe s TRP 76 Cb 0.00 -0.60 -0.05 0.00 -1.16 0.00 0.00 33.47 31.66 2rqe s TRP 76 CO 0.00 -0.24 -0.02 0.95 -4.06 0.00 0.00 176.95 173.58 2rqe s THR 77 N -3.71 1.05 0.00 0.66 -4.23 -1.25 -3.70 115.64 104.47 2rqe s THR 77 Ca 0.20 -2.04 0.05 0.00 -1.18 0.00 0.00 61.69 58.72 2rqe s THR 77 Cb 0.06 -2.24 -0.02 0.00 1.34 0.00 0.00 72.50 71.65 2rqe s THR 77 CO 0.01 -0.41 -0.16 0.12 -0.54 0.00 0.00 174.62 173.63 2rqe s PHE 78 N -3.41 1.45 0.16 3.99 5.36 -1.23 -2.49 117.98 121.82 2rqe s PHE 78 Ca 0.26 -0.30 -0.02 0.00 -0.96 0.00 0.00 56.93 55.91 2rqe s PHE 78 Cb 0.05 -0.91 -0.04 0.00 -0.34 0.00 0.00 43.02 41.78 2rqe s PHE 78 CO 0.07 0.00 0.12 0.14 -1.46 0.00 0.00 175.22 174.09 2rqe s VAL 79 N -0.51 0.06 -0.33 3.12 -7.23 -0.95 -1.25 120.40 113.31 2rqe s VAL 79 Ca 0.06 -1.89 0.02 0.00 -1.81 0.00 0.00 61.98 58.36 2rqe s VAL 79 Cb -0.07 -2.21 0.15 0.00 0.56 0.00 0.00 36.38 34.82 2rqe s VAL 79 CO 0.00 -0.26 0.38 -0.63 -0.31 0.00 0.00 175.10 174.29 2rqe s ILE 80 N -4.08 -0.49 -0.09 -0.62 1.01 -0.71 -1.63 121.20 114.59 2rqe s ILE 80 Ca 0.29 -0.59 -0.00 0.00 0.00 0.00 0.00 60.65 60.35 2rqe s ILE 80 Cb 0.07 -0.80 -0.03 0.00 0.01 0.00 0.00 42.46 41.70 2rqe s ILE 80 CO 0.06 -0.43 -0.06 -0.75 0.00 0.00 0.00 174.94 173.77 2rqe s LYS 81 N 2.03 3.00 -1.04 2.79 2.20 -1.26 0.20 119.74 127.65 2rqe s LYS 81 Ca 0.13 -0.53 -0.11 0.00 -0.36 0.00 0.00 55.97 55.10 2rqe s LYS 81 Cb -0.13 -2.69 0.10 0.00 -1.51 0.00 0.00 37.83 33.60 2rqe s LYS 81 CO -0.19 0.56 0.35 -0.25 -0.36 0.00 0.00 175.35 175.46 2rqe n ASP 82 N 2.54 -2.22 -3.34 1.43 8.00 -1.25 0.10 116.55 121.80 2rqe n ASP 82 Ca -0.18 -0.35 -0.23 0.00 0.71 0.00 0.00 54.79 54.74 2rqe n ASP 82 Cb 0.53 -1.93 0.06 0.00 -0.02 0.00 0.00 41.12 39.76 2rqe n ASP 82 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2rqe n GLY 83 N -0.90 -0.54 0.11 0.44 0.00 -1.26 -4.92 105.19 98.12 2rqe n GLY 83 Ca 0.03 0.20 -0.19 0.00 0.00 0.00 0.00 46.02 46.06 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 -4.55 1.94 -0.50 0.99 4.77 0.28 -5.12 117.00 114.81 2rqe n LEU 84 Ca -0.05 0.36 0.00 0.00 -0.03 0.00 0.00 56.01 56.29 2rqe n LEU 84 Cb 0.59 -0.80 0.00 0.00 -2.33 0.00 0.00 43.42 40.88 2rqe n LEU 84 CO 0.57 0.12 0.00 0.61 -1.33 0.00 0.00 177.39 177.36 2rqe n GLY 85 N 1.38 -1.44 3.04 -0.72 0.00 -1.26 -4.94 105.19 101.25 2rqe n GLY 85 Ca -0.32 -0.82 -0.22 0.00 0.00 0.00 0.00 46.02 44.66 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 1.22 -0.02 -3.65 1.61 4.01 -0.65 -4.97 117.16 114.71 2rqe n TYR 86 Ca 0.00 -2.42 -0.03 0.00 -0.16 0.00 0.00 57.90 55.29 2rqe n TYR 86 Cb 0.00 0.04 -0.07 0.00 -0.31 0.00 0.00 39.34 39.00 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 -3.39 0.23 0.38 -0.72 3.00 -1.26 -2.23 118.95 114.96 2rqe s ARG 87 Ca 0.22 0.33 -0.12 0.00 -1.00 0.00 0.00 55.73 55.16 2rqe s ARG 87 Cb 0.01 0.08 -0.07 0.00 0.00 0.00 0.00 34.95 34.97 2rqe s ARG 87 CO 0.15 -0.04 0.76 -1.14 0.00 0.00 0.00 175.30 175.03 2rqe s GLN 88 N 0.65 3.85 0.00 5.12 2.00 -1.04 -4.50 119.66 125.74 2rqe s GLN 88 Ca -0.01 0.53 0.00 0.00 -2.00 0.00 0.00 55.36 53.88 2rqe s GLN 88 Cb -0.04 -2.41 0.00 0.00 0.80 0.00 0.00 33.01 31.37 2rqe s GLN 88 CO -0.12 0.03 0.00 -0.40 -0.50 0.00 0.00 175.29 174.30 2rqe n ASP 89 N -0.99 0.48 0.00 6.67 5.75 -1.26 -3.81 116.55 123.39 2rqe n ASP 89 Ca 0.03 -0.39 0.00 0.00 -0.01 0.00 0.00 54.79 54.42 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 -0.99 0.00 -3.46 -1.12 2.85 -1.26 -4.69 115.26 106.59 2rqe n ASN 90 Ca 0.00 0.00 -0.35 0.00 -0.11 0.00 0.00 54.58 54.12 2rqe n ASN 90 Cb 0.00 0.00 0.03 0.00 1.24 0.00 0.00 39.78 41.05 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 -0.11 3.17 8.20 0.00 -1.23 -4.90 105.19 110.32 2rqe n GLY 91 Ca 0.00 1.13 0.05 0.00 0.00 0.00 0.00 46.02 47.20 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 -2.67 0.28 -0.22 1.61 2.56 -1.20 -4.40 118.70 114.66 2rqe s GLU 92 Ca 0.34 0.51 -0.05 0.00 0.00 0.00 0.00 54.97 55.77 2rqe s GLU 92 Cb -0.04 0.29 0.11 0.00 2.00 0.00 0.00 34.13 36.49 2rqe s GLU 92 CO 0.87 -0.29 0.39 -1.58 -0.56 0.00 0.00 175.26 174.09 2rqe s TRP 93 N 2.90 -0.80 -0.05 5.30 0.51 0.88 -4.97 118.94 122.71 2rqe s TRP 93 Ca 0.04 1.18 -0.23 0.00 -2.12 0.00 0.00 56.10 54.97 2rqe s TRP 93 Cb -0.11 0.16 -0.04 0.00 -0.81 0.00 0.00 33.47 32.67 2rqe s TRP 93 CO -0.14 -0.58 0.68 0.99 -0.51 0.00 0.00 176.95 177.39 2rqe s THR 94 N 2.57 5.00 -0.10 2.01 2.01 -1.26 0.30 115.64 126.18 2rqe s THR 94 Ca 0.05 1.40 -0.29 0.00 0.31 0.00 0.00 61.69 63.16 2rqe s THR 94 Cb -0.14 -4.02 -0.06 0.00 0.01 0.00 0.00 72.50 68.30 2rqe s THR 94 CO -0.14 0.29 1.91 -0.69 -0.69 0.00 0.00 174.62 175.30 2rqe s VAL 95 N 0.56 3.24 0.00 3.82 1.01 -0.87 -4.79 120.40 123.37 2rqe s VAL 95 Ca 0.36 0.28 0.00 0.00 0.00 0.00 0.00 61.98 62.62 2rqe s VAL 95 Cb -0.18 -3.23 0.00 0.00 0.00 0.00 0.00 36.38 32.97 2rqe s VAL 95 CO 0.18 -0.08 0.45 -0.62 0.00 0.00 0.00 175.10 175.04 2rqe n GLU 96 N 7.83 0.43 -4.04 2.72 1.02 -1.26 -3.26 120.64 124.07 2rqe n GLU 96 Ca 0.22 -0.54 -0.27 0.00 -0.02 0.00 0.00 57.16 56.55 2rqe n GLU 96 Cb 0.43 -0.65 -0.03 0.00 -0.02 0.00 0.00 31.44 31.17 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 -0.09 3.28 3.37 0.62 0.00 -1.26 -5.06 105.19 106.06 2rqe n GLY 97 Ca 0.00 -2.33 -0.13 0.00 0.00 0.00 0.00 46.02 43.56 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 -2.54 -0.38 0.20 1.61 5.36 -1.26 -3.79 117.98 117.18 2rqe s PHE 98 Ca 0.11 0.35 -0.22 0.00 -0.96 0.00 0.00 56.93 56.21 2rqe s PHE 98 Cb -0.01 0.32 0.07 0.00 -0.34 0.00 0.00 43.02 43.07 2rqe s PHE 98 CO 0.07 -0.65 1.02 0.14 -1.46 0.00 0.00 175.22 174.34 2rqe s VAL 99 N -2.70 0.00 -0.03 3.12 -7.23 -1.05 -4.63 120.40 107.89 2rqe s VAL 99 Ca -0.04 -0.61 -0.01 0.00 -1.81 0.00 0.00 61.98 59.51 2rqe s VAL 99 Cb -0.00 -2.87 0.02 0.00 0.56 0.00 0.00 36.38 34.09 2rqe s VAL 99 CO -0.04 0.00 0.07 1.51 -0.31 0.00 0.00 175.10 176.33 2rqe s ASP 100 N -3.38 -0.02 -0.20 4.85 -4.77 -1.26 -3.89 116.67 108.00 2rqe s ASP 100 Ca 0.21 0.13 -0.03 0.00 -3.30 0.00 0.00 52.55 49.56 2rqe s ASP 100 Cb -0.03 0.06 0.01 0.00 -1.09 0.00 0.00 42.92 41.87 2rqe s ASP 100 CO 0.06 -0.09 2.60 1.21 0.70 0.00 0.00 175.17 179.64 2rqe n GLU 101 N 3.79 1.81 0.00 2.11 4.07 -1.26 -5.03 120.64 126.12 2rqe n GLU 101 Ca -0.22 -1.25 0.00 0.00 -0.06 0.00 0.00 57.16 55.63 2rqe n GLU 101 Cb 0.54 -1.70 0.00 0.00 -0.06 0.00 0.00 31.44 30.22 2rqe n GLU 101 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07