#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 0.78 -1.37 2.98 1.02 -1.26 -4.97 120.64 117.82 2rqe n GLU 2 Ca 0.00 -3.19 0.00 0.00 -0.02 0.00 0.00 57.16 53.95 2rqe n GLU 2 Cb 0.00 -1.34 0.00 0.00 -0.02 0.00 0.00 31.44 30.08 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 1.13 -1.83 -1.18 0.62 0.00 -1.26 -3.83 120.51 114.16 2rqe n ALA 3 Ca 0.21 0.40 -0.29 0.00 0.00 0.00 0.00 53.44 53.77 2rqe n ALA 3 Cb 0.57 -1.31 0.16 0.00 0.00 0.00 0.00 19.45 18.87 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 -4.48 0.76 0.21 0.00 0.04 -1.26 -4.83 135.00 125.44 2rqe s PRO 4 Ca 0.00 0.64 -0.30 0.00 0.04 0.00 0.00 61.00 61.38 2rqe s PRO 4 Cb 0.00 -1.77 -0.09 0.00 0.04 0.00 0.00 34.50 32.69 2rqe s PRO 4 CO 0.00 -2.54 1.30 -1.25 0.04 0.00 0.00 177.00 174.55 2rqe s PRO 5 N -4.95 4.40 0.08 0.56 0.04 -1.26 -4.95 135.00 128.92 2rqe s PRO 5 Ca 0.65 2.05 -0.24 0.00 0.04 0.00 0.00 61.00 63.49 2rqe s PRO 5 Cb -0.18 -3.19 -0.06 0.00 0.04 0.00 0.00 34.50 31.11 2rqe s PRO 5 CO 0.57 -0.22 0.73 0.00 0.04 0.00 0.00 177.00 178.12 2rqe s ALA 6 N -0.02 3.43 -1.17 8.56 0.00 -1.26 -4.57 121.76 126.73 2rqe s ALA 6 Ca 0.55 0.25 -0.10 0.00 0.00 0.00 0.00 51.96 52.66 2rqe s ALA 6 Cb -0.36 -2.91 0.23 0.00 0.00 0.00 0.00 23.12 20.07 2rqe s ALA 6 CO 0.39 0.18 1.40 2.41 0.00 0.00 0.00 175.76 180.14 2rqe n THR 7 N 2.31 4.53 -2.58 0.00 -1.04 0.17 -4.97 114.28 112.69 2rqe n THR 7 Ca -0.05 -5.08 -0.42 0.00 -2.04 0.00 0.00 64.05 56.46 2rqe n THR 7 Cb 0.50 -2.44 -0.02 0.00 -1.82 0.00 0.00 70.33 66.54 2rqe n THR 7 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 2rqe s LEU 8 N -0.28 3.46 0.00 -4.42 1.02 -1.26 -2.28 118.68 114.92 2rqe s LEU 8 Ca 0.37 0.11 0.00 0.00 0.02 0.00 0.00 54.13 54.63 2rqe s LEU 8 Cb -0.03 -3.17 0.00 0.00 0.02 0.00 0.00 46.19 43.01 2rqe s LEU 8 CO -0.01 -1.47 0.00 -0.62 0.02 0.00 0.00 176.35 174.26 2rqe n GLU 9 N 8.42 0.32 -3.48 1.70 -0.58 0.97 -4.80 120.64 123.19 2rqe n GLU 9 Ca 0.09 0.00 -0.27 0.00 -0.42 0.00 0.00 57.16 56.55 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 n ALA 10 N -3.00 2.97 -1.05 0.62 0.00 -1.23 -4.56 120.51 114.26 2rqe n ALA 10 Ca 0.00 -3.41 -0.29 0.00 0.00 0.00 0.00 53.44 49.74 2rqe n ALA 10 Cb 0.00 -0.81 0.21 0.00 0.00 0.00 0.00 19.45 18.85 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 -0.33 1.86 1.15 0.00 -1.09 -1.26 -2.86 121.20 118.67 2rqe s ILE 11 Ca 0.32 0.00 -0.18 0.00 -2.23 0.00 0.00 60.65 58.56 2rqe s ILE 11 Cb 0.03 -2.43 0.16 0.00 -1.58 0.00 0.00 42.46 38.65 2rqe s ILE 11 CO -0.19 0.00 0.24 1.41 -1.23 0.00 0.00 174.94 175.17 2rqe n HIS 12 N -4.50 -1.74 0.49 3.97 8.25 -1.25 -4.67 115.22 115.77 2rqe n HIS 12 Ca 0.07 -0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.53 2rqe n HIS 12 Cb 0.58 -1.53 0.00 0.00 1.12 0.00 0.00 29.99 30.16 2rqe n HIS 12 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 2rqe n PRO 13 N -2.71 0.49 -0.72 -0.41 -0.04 -1.26 -2.44 135.00 127.91 2rqe n PRO 13 Ca 0.02 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.54 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 0.33 0.80 -2.40 0.54 2.85 -1.25 -4.21 118.16 114.83 2rqe n LYS 14 Ca 0.00 -2.39 0.00 0.00 -1.05 0.00 0.00 58.31 54.87 2rqe n LYS 14 Cb 0.14 -0.95 0.00 0.00 -0.65 0.00 0.00 35.03 33.57 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 -0.54 -1.24 3.35 2.58 0.00 -0.48 -4.17 105.19 104.69 2rqe n GLY 15 Ca 0.11 -1.57 -0.09 0.00 0.00 0.00 0.00 46.02 44.47 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 0.79 -0.03 0.99 2.96 -1.23 -4.11 118.68 118.05 2rqe s LEU 16 Ca 0.00 -0.69 0.03 0.00 -0.22 0.00 0.00 54.13 53.25 2rqe s LEU 16 Cb 0.00 1.44 0.00 0.00 0.50 0.00 0.00 46.19 48.13 2rqe s LEU 16 CO 0.00 -0.90 -0.10 -0.60 -1.32 0.00 0.00 176.35 173.43 2rqe s ARG 17 N -3.91 1.11 -0.18 1.98 3.52 -1.26 -0.10 118.95 120.10 2rqe s ARG 17 Ca 0.12 -0.35 -0.04 0.00 -0.13 0.00 0.00 55.73 55.33 2rqe s ARG 17 Cb 0.02 -1.01 0.08 0.00 -1.56 0.00 0.00 34.95 32.48 2rqe s ARG 17 CO -0.04 0.12 0.17 0.08 -0.81 0.00 0.00 175.30 174.82 2rqe s VAL 18 N 0.22 -0.24 0.24 7.11 1.01 -0.74 -0.02 120.40 127.98 2rqe s VAL 18 Ca -0.04 -0.10 0.11 0.00 0.00 0.00 0.00 61.98 61.94 2rqe s VAL 18 Cb -0.10 -0.62 -0.05 0.00 0.00 0.00 0.00 36.38 35.62 2rqe s VAL 18 CO 0.01 -0.21 -0.17 -0.55 0.00 0.00 0.00 175.10 174.18 2rqe s SER 19 N 2.26 3.77 0.03 3.32 0.15 -0.97 -2.00 113.70 120.27 2rqe s SER 19 Ca 0.05 -0.86 -0.00 0.00 0.70 0.00 0.00 55.95 55.84 2rqe s SER 19 Cb -0.16 -0.42 -0.02 0.00 -1.71 0.00 0.00 66.02 63.71 2rqe s SER 19 CO -0.11 0.07 -0.03 0.68 1.20 0.00 0.00 173.24 175.05 2rqe s VAL 20 N -2.11 0.14 -0.07 4.45 -7.23 -0.47 0.44 120.40 115.56 2rqe s VAL 20 Ca 0.27 -1.09 -0.30 0.00 -1.81 0.00 0.00 61.98 59.05 2rqe s VAL 20 Cb -0.07 -0.51 -0.05 0.00 0.56 0.00 0.00 36.38 36.32 2rqe s VAL 20 CO 0.14 -0.60 1.50 -2.16 -0.31 0.00 0.00 175.10 173.67 2rqe s PRO 21 N -1.94 4.22 -0.89 4.82 0.04 -1.26 -2.07 135.00 137.92 2rqe s PRO 21 Ca -0.11 2.01 -0.23 0.00 0.04 0.00 0.00 61.00 62.70 2rqe s PRO 21 Cb -0.07 -3.82 0.06 0.00 0.04 0.00 0.00 34.50 30.72 2rqe s PRO 21 CO -0.03 -0.75 1.29 0.34 0.04 0.00 0.00 177.00 177.90 2rqe s ASP 22 N 2.63 6.40 -0.18 6.66 2.15 -1.26 -4.84 116.67 128.23 2rqe s ASP 22 Ca 0.66 -1.27 0.01 0.00 0.43 0.00 0.00 52.55 52.39 2rqe s ASP 22 Cb -0.30 -2.52 0.25 0.00 -0.30 0.00 0.00 42.92 40.06 2rqe s ASP 22 CO 0.25 -1.49 1.39 -0.62 -0.17 0.00 0.00 175.17 174.53 2rqe n GLU 23 N 8.41 1.49 0.00 4.34 -0.58 -1.26 -4.63 120.64 128.41 2rqe n GLU 23 Ca 0.20 -1.17 0.00 0.00 -0.42 0.00 0.00 57.16 55.77 2rqe n GLU 23 Cb 0.49 -1.46 0.00 0.00 -0.57 0.00 0.00 31.44 29.91 2rqe n GLU 23 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2rqe n GLY 24 N -0.09 1.51 3.75 0.62 0.00 -1.26 -5.02 105.19 104.70 2rqe n GLY 24 Ca 0.23 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.96 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 2.49 0.00 1.61 0.08 -1.26 -3.71 117.98 115.19 2rqe s PHE 25 Ca 0.00 1.13 0.00 0.00 0.12 0.00 0.00 56.93 58.18 2rqe s PHE 25 Cb 0.00 -3.19 0.00 0.00 -0.57 0.00 0.00 43.02 39.26 2rqe s PHE 25 CO 0.00 -2.25 0.09 0.45 -0.10 0.00 0.00 175.22 173.41 2rqe n SER 26 N -3.76 0.18 -3.63 1.36 2.88 0.36 -4.88 113.62 106.13 2rqe n SER 26 Ca 0.07 -0.52 -0.12 0.00 -1.33 0.00 0.00 58.87 56.97 2rqe n SER 26 Cb 0.56 0.33 -0.07 0.00 -0.75 0.00 0.00 64.21 64.28 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 -0.66 -0.63 0.04 2.46 1.98 -1.21 -4.65 118.68 116.02 2rqe s LEU 27 Ca 0.00 1.19 0.02 0.00 -2.89 0.00 0.00 54.13 52.46 2rqe s LEU 27 Cb 0.00 2.25 -0.02 0.00 0.66 0.00 0.00 46.19 49.07 2rqe s LEU 27 CO 0.00 -0.23 -0.08 0.12 -1.89 0.00 0.00 176.35 174.27 2rqe s PHE 28 N 0.24 0.71 0.03 5.38 5.36 0.86 -1.96 117.98 128.60 2rqe s PHE 28 Ca 0.01 -0.50 -0.04 0.00 -0.96 0.00 0.00 56.93 55.44 2rqe s PHE 28 Cb -0.05 -0.42 -0.01 0.00 -0.34 0.00 0.00 43.02 42.20 2rqe s PHE 28 CO -0.01 -0.07 0.06 0.00 -1.46 0.00 0.00 175.22 173.73 2rqe s ALA 29 N -1.37 -0.03 -0.04 11.12 0.00 -0.45 0.71 121.76 131.71 2rqe s ALA 29 Ca -0.09 -0.52 0.02 0.00 0.00 0.00 0.00 51.96 51.37 2rqe s ALA 29 Cb -0.10 0.19 0.01 0.00 0.00 0.00 0.00 23.12 23.22 2rqe s ALA 29 CO 0.01 -0.25 -0.08 0.12 0.00 0.00 0.00 175.76 175.56 2rqe s PHE 30 N -2.10 0.93 -0.41 0.00 2.19 0.25 -3.30 117.98 115.54 2rqe s PHE 30 Ca -0.09 -0.27 0.07 0.00 0.33 0.00 0.00 56.93 56.97 2rqe s PHE 30 Cb -0.04 -0.72 0.18 0.00 -1.31 0.00 0.00 43.02 41.12 2rqe s PHE 30 CO -0.03 -0.16 0.59 -1.01 1.83 0.00 0.00 175.22 176.45 2rqe s HIS 31 N 0.55 -1.46 0.19 10.12 3.76 -1.24 -2.08 115.29 125.14 2rqe s HIS 31 Ca -0.09 -0.02 0.01 0.00 -0.15 0.00 0.00 55.06 54.80 2rqe s HIS 31 Cb -0.12 0.18 -0.00 0.00 1.11 0.00 0.00 32.58 33.75 2rqe s HIS 31 CO 0.01 -1.15 0.24 0.41 -0.85 0.00 0.00 174.74 173.40 2rqe n GLY 32 N 4.24 2.81 0.00 -2.22 0.00 -1.26 -3.84 105.19 104.92 2rqe n GLY 32 Ca 0.12 -1.59 0.00 0.00 0.00 0.00 0.00 46.02 44.55 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 -0.33 0.72 -4.56 1.61 5.02 -1.26 -1.57 118.16 117.79 2rqe n LYS 33 Ca 0.01 0.00 -0.21 0.00 -2.02 0.00 0.00 58.31 56.09 2rqe n LYS 33 Cb 0.33 0.00 -0.15 0.00 -0.02 0.00 0.00 35.03 35.19 2rqe n LYS 33 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 2rqe s LEU 34 N 0.00 1.97 -0.63 -0.35 1.98 -1.26 -4.21 118.68 116.17 2rqe s LEU 34 Ca 0.00 -0.23 0.00 0.00 -2.89 0.00 0.00 54.13 51.01 2rqe s LEU 34 Cb 0.00 -0.66 0.00 0.00 0.66 0.00 0.00 46.19 46.19 2rqe s LEU 34 CO 0.00 0.14 0.00 0.59 -1.89 0.00 0.00 176.35 175.19 2rqe n ASN 35 N 2.90 -2.35 -3.68 3.68 3.02 -0.84 -4.87 115.26 113.12 2rqe n ASN 35 Ca -0.15 0.28 -0.14 0.00 -0.03 0.00 0.00 54.58 54.53 2rqe n ASN 35 Cb 0.55 -2.17 -0.08 0.00 -0.61 0.00 0.00 39.78 37.47 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 -4.21 0.70 0.15 3.52 2.56 -1.26 -5.09 118.70 115.07 2rqe s GLU 36 Ca 0.00 0.41 0.08 0.00 0.00 0.00 0.00 54.97 55.46 2rqe s GLU 36 Cb 0.00 0.33 -0.04 0.00 2.00 0.00 0.00 34.13 36.42 2rqe s GLU 36 CO 0.00 -0.15 -0.08 -1.83 -0.56 0.00 0.00 175.26 172.64 2rqe s GLU 37 N -0.38 2.13 0.56 4.30 -1.05 -1.26 -4.18 118.70 118.82 2rqe s GLU 37 Ca -0.05 -1.15 0.08 0.00 -0.15 0.00 0.00 54.97 53.69 2rqe s GLU 37 Cb -0.03 -2.24 0.07 0.00 -0.44 0.00 0.00 34.13 31.48 2rqe s GLU 37 CO 0.03 0.46 0.64 0.00 0.95 0.00 0.00 175.26 177.35 2rqe s MET 38 N -2.61 2.29 0.03 -4.83 0.23 -1.26 -5.12 119.30 108.03 2rqe s MET 38 Ca 0.24 -1.79 0.04 0.00 -1.03 0.00 0.00 55.69 53.15 2rqe s MET 38 Cb -0.10 -2.44 -0.02 0.00 -1.53 0.00 0.00 34.83 30.75 2rqe s MET 38 CO 0.15 -0.77 -0.11 -2.00 -2.03 0.00 0.00 175.02 170.26 2rqe s GLU 39 N -4.52 0.77 -1.42 3.16 2.12 -1.26 -4.81 118.70 112.74 2rqe s GLU 39 Ca 0.51 -0.63 -0.11 0.00 0.36 0.00 0.00 54.97 55.11 2rqe s GLU 39 Cb -0.04 -0.73 0.03 0.00 0.26 0.00 0.00 34.13 33.65 2rqe s GLU 39 CO 0.32 0.18 1.13 0.41 -0.54 0.00 0.00 175.26 176.76 2rqe n GLY 40 N 2.08 -0.53 2.79 -1.50 0.00 -1.26 -3.71 105.19 103.06 2rqe n GLY 40 Ca -0.18 0.24 -0.18 0.00 0.00 0.00 0.00 46.02 45.90 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 -4.92 -2.23 0.00 0.99 4.77 -1.26 -4.98 117.00 109.37 2rqe n LEU 41 Ca 0.02 0.04 -0.30 0.00 -0.03 0.00 0.00 56.01 55.74 2rqe n LEU 41 Cb 0.55 -1.22 -0.07 0.00 -2.33 0.00 0.00 43.42 40.35 2rqe n LEU 41 CO 0.68 -0.43 -0.21 -1.84 -1.33 0.00 0.00 177.39 174.26 2rqe n GLU 42 N 0.36 0.68 -2.57 3.23 0.28 -1.24 -5.08 120.64 116.29 2rqe n GLU 42 Ca -0.04 -3.68 -0.41 0.00 -0.16 0.00 0.00 57.16 52.87 2rqe n GLU 42 Cb 0.47 1.38 -0.03 0.00 1.43 0.00 0.00 31.44 34.69 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 -2.99 2.78 0.00 -1.84 0.00 -1.26 -4.88 121.76 113.56 2rqe s ALA 43 Ca 0.09 -1.43 0.00 0.00 0.00 0.00 0.00 51.96 50.61 2rqe s ALA 43 Cb 0.00 -4.24 0.00 0.00 0.00 0.00 0.00 23.12 18.88 2rqe s ALA 43 CO 0.06 -3.26 0.00 0.41 0.00 0.00 0.00 175.76 172.97 2rqe n GLY 44 N 5.42 -3.03 0.14 0.00 0.00 -1.26 -4.94 105.19 101.53 2rqe n GLY 44 Ca 0.03 -0.26 -0.21 0.00 0.00 0.00 0.00 46.02 45.59 2rqe n GLY 44 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2rqe n HIS 45 N 0.00 0.00 -1.27 1.61 -0.00 -0.93 -4.96 115.22 109.68 2rqe n HIS 45 Ca 0.00 0.00 -0.29 0.00 0.46 0.00 0.00 57.72 57.89 2rqe n HIS 45 Cb 0.00 -0.77 0.18 0.00 -0.12 0.00 0.00 29.99 29.28 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 -2.67 1.99 -0.30 1.57 0.51 -0.61 -4.97 118.94 114.46 2rqe s TRP 46 Ca -0.34 0.86 -0.15 0.00 -2.12 0.00 0.00 56.10 54.35 2rqe s TRP 46 Cb 0.10 -3.35 0.18 0.00 -0.81 0.00 0.00 33.47 29.59 2rqe s TRP 46 CO 0.45 -2.91 1.08 -1.54 -0.51 0.00 0.00 176.95 173.52 2rqe s SER 47 N -3.69 -0.42 0.05 2.95 1.04 -1.25 -4.31 113.70 108.07 2rqe s SER 47 Ca 0.66 0.43 -0.27 0.00 0.48 0.00 0.00 55.95 57.25 2rqe s SER 47 Cb -0.16 1.42 0.09 0.00 0.10 0.00 0.00 66.02 67.46 2rqe s SER 47 CO 0.56 -0.08 0.75 -0.60 0.98 0.00 0.00 173.24 174.85 2rqe s ARG 48 N 2.57 1.03 -0.07 4.02 3.00 -0.88 -5.01 118.95 123.61 2rqe s ARG 48 Ca -0.01 -0.28 -0.03 0.00 -1.00 0.00 0.00 55.73 54.41 2rqe s ARG 48 Cb -0.07 0.47 0.04 0.00 0.00 0.00 0.00 34.95 35.40 2rqe s ARG 48 CO -0.15 -0.43 0.13 0.16 0.00 0.00 0.00 175.30 175.01 2rqe s ASP 49 N -2.36 0.60 -0.28 -2.12 -4.77 -1.26 -0.58 116.67 105.89 2rqe s ASP 49 Ca 0.01 0.25 -0.09 0.00 -3.30 0.00 0.00 52.55 49.42 2rqe s ASP 49 Cb -0.01 0.15 -0.03 0.00 -1.09 0.00 0.00 42.92 41.94 2rqe s ASP 49 CO -0.08 -0.22 0.14 -0.63 0.70 0.00 0.00 175.17 175.08 2rqe s ILE 50 N 1.94 4.71 -0.49 2.11 -1.09 0.22 -4.97 121.20 123.63 2rqe s ILE 50 Ca -0.00 -0.17 0.03 0.00 -2.23 0.00 0.00 60.65 58.28 2rqe s ILE 50 Cb -0.12 -3.29 0.53 0.00 -1.58 0.00 0.00 42.46 38.00 2rqe s ILE 50 CO -0.05 0.21 1.80 0.35 -1.23 0.00 0.00 174.94 176.02 2rqe n THR 51 N 4.99 3.19 0.00 2.92 -2.24 -1.26 -0.09 114.28 121.78 2rqe n THR 51 Ca -0.15 -2.73 0.00 0.00 -2.27 0.00 0.00 64.05 58.90 2rqe n THR 51 Cb 0.51 -0.79 0.00 0.00 -2.10 0.00 0.00 70.33 67.95 2rqe n THR 51 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2rqe n LYS 52 N -1.01 0.00 -1.11 -0.78 5.02 -1.26 -4.92 118.16 114.10 2rqe n LYS 52 Ca 0.55 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 56.54 2rqe n LYS 52 Cb 1.09 0.00 0.22 0.00 -0.02 0.00 0.00 35.03 36.31 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 -0.77 -0.63 -0.00 1.97 0.04 -1.26 -4.93 135.00 129.41 2rqe s PRO 53 Ca 0.00 0.14 0.00 0.00 0.04 0.00 0.00 61.00 61.19 2rqe s PRO 53 Cb 0.00 -1.65 0.01 0.00 0.04 0.00 0.00 34.50 32.90 2rqe s PRO 53 CO 0.00 -3.36 0.65 0.36 0.04 0.00 0.00 177.00 174.68 2rqe n LYS 54 N -4.55 0.42 0.00 4.56 2.85 -1.18 -4.89 118.16 115.37 2rqe n LYS 54 Ca 0.10 -0.75 0.00 0.00 -1.05 0.00 0.00 58.31 56.61 2rqe n LYS 54 Cb 0.59 -0.59 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 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 -0.10 0.00 0.00 -5.58 2.85 -1.26 -4.95 115.26 106.22 2rqe n ASN 55 Ca 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.47 2rqe n ASN 55 Cb 0.50 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.52 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 0.00 2.86 3.30 8.20 0.00 -1.26 -4.95 105.19 113.34 2rqe n GLY 56 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.10 1.23 -0.80 1.61 0.52 -1.26 -4.22 118.95 115.93 2rqe s ARG 57 Ca 0.00 -1.59 -0.23 0.00 -0.52 0.00 0.00 55.73 53.39 2rqe s ARG 57 Cb 0.00 -0.63 0.07 0.00 0.52 0.00 0.00 34.95 34.91 2rqe s ARG 57 CO 0.00 -0.03 1.16 -1.58 0.02 0.00 0.00 175.30 174.87 2rqe s TRP 58 N -3.38 2.65 -0.09 -0.53 0.52 -0.88 -3.07 118.94 114.16 2rqe s TRP 58 Ca 0.24 -0.66 -0.05 0.00 0.02 0.00 0.00 56.10 55.65 2rqe s TRP 58 Cb 0.04 -4.44 -0.04 0.00 -1.15 0.00 0.00 33.47 27.89 2rqe s TRP 58 CO 0.06 -1.77 0.10 0.42 0.02 0.00 0.00 176.95 175.78 2rqe s ILE 59 N 4.33 5.09 0.10 2.03 1.01 -1.26 -1.36 121.20 131.13 2rqe s ILE 59 Ca 0.31 0.00 0.03 0.00 0.00 0.00 0.00 60.65 60.99 2rqe s ILE 59 Cb -0.09 -3.21 -0.04 0.00 0.01 0.00 0.00 42.46 39.12 2rqe s ILE 59 CO 0.04 0.58 -0.08 0.12 0.00 0.00 0.00 174.94 175.59 2rqe s PHE 60 N -1.02 0.96 -0.11 3.97 5.36 -0.84 -4.90 117.98 121.39 2rqe s PHE 60 Ca 0.16 -0.80 -0.10 0.00 -0.96 0.00 0.00 56.93 55.23 2rqe s PHE 60 Cb -0.12 -0.54 0.03 0.00 -0.34 0.00 0.00 43.02 42.06 2rqe s PHE 60 CO 0.05 -0.08 0.30 -0.98 -1.46 0.00 0.00 175.22 173.06 2rqe s ARG 61 N -3.38 0.34 0.52 10.12 3.03 -1.26 -1.79 118.95 126.54 2rqe s ARG 61 Ca 0.09 0.44 0.03 0.00 2.03 0.00 0.00 55.73 58.32 2rqe s ARG 61 Cb 0.02 0.15 0.03 0.00 -1.03 0.00 0.00 34.95 34.11 2rqe s ARG 61 CO -0.02 -0.05 0.25 -0.25 -1.13 0.00 0.00 175.30 174.09 2rqe n ASP 62 N 3.05 2.96 -1.21 -2.89 8.00 0.86 -4.94 116.55 122.37 2rqe n ASP 62 Ca -0.14 -2.96 0.01 0.00 0.71 0.00 0.00 54.79 52.41 2rqe n ASP 62 Cb 0.57 0.11 -0.00 0.00 -0.02 0.00 0.00 41.12 41.78 2rqe n ASP 62 CO 0.00 0.00 0.00 -1.14 -0.39 0.00 0.00 177.20 175.67 2rqe n ARG 63 N -1.55 0.00 -0.43 -1.24 3.00 -1.26 -3.47 116.66 111.71 2rqe n ARG 63 Ca -0.09 -1.54 0.00 0.00 -0.00 0.00 0.00 57.85 56.22 2rqe n ARG 63 Cb 0.61 0.06 0.00 0.00 0.00 0.00 0.00 32.46 33.13 2rqe n ARG 63 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.63 177.90 2rqe n ASN 64 N 0.30 0.00 -4.19 6.15 6.94 -1.26 -4.60 115.26 118.60 2rqe n ASN 64 Ca -0.03 -1.67 -0.38 0.00 -0.02 0.00 0.00 54.58 52.48 2rqe n ASN 64 Cb 0.96 -0.13 -0.11 0.00 -2.36 0.00 0.00 39.78 38.13 2rqe n ASN 64 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2rqe s ALA 65 N 0.00 3.19 -1.04 -2.53 0.00 -1.26 -4.88 121.76 115.24 2rqe s ALA 65 Ca 0.00 -2.32 -0.11 0.00 0.00 0.00 0.00 51.96 49.52 2rqe s ALA 65 Cb 0.00 -2.49 0.25 0.00 0.00 0.00 0.00 23.12 20.88 2rqe s ALA 65 CO 0.00 -1.71 1.06 0.00 0.00 0.00 0.00 175.76 175.11 2rqe s ALA 66 N 1.27 4.45 0.41 0.00 0.00 -1.26 -1.39 121.76 125.25 2rqe s ALA 66 Ca 0.05 -3.63 0.05 0.00 0.00 0.00 0.00 51.96 48.43 2rqe s ALA 66 Cb -0.23 -3.63 -0.06 0.00 0.00 0.00 0.00 23.12 19.20 2rqe s ALA 66 CO -0.01 -2.31 0.02 -0.48 0.00 0.00 0.00 175.76 172.98 2rqe s LEU 67 N -0.47 2.64 -0.18 0.00 2.34 -1.26 -4.96 118.68 116.79 2rqe s LEU 67 Ca 0.29 -1.43 -0.20 0.00 0.06 0.00 0.00 54.13 52.85 2rqe s LEU 67 Cb -0.09 -0.76 0.05 0.00 -0.56 0.00 0.00 46.19 44.83 2rqe s LEU 67 CO -0.08 -0.56 0.55 -1.59 -1.06 0.00 0.00 176.35 173.62 2rqe s LYS 68 N -3.77 0.69 -0.14 1.48 0.00 -1.26 -4.24 119.74 112.51 2rqe s LYS 68 Ca 0.30 0.65 -0.13 0.00 0.00 0.00 0.00 55.97 56.80 2rqe s LYS 68 Cb 0.08 0.33 -0.05 0.00 0.00 0.00 0.00 37.83 38.19 2rqe s LYS 68 CO 0.15 -0.11 0.44 -0.89 0.00 0.00 0.00 175.35 174.94 2rqe n ILE 69 N 2.48 0.00 0.00 3.79 2.08 -1.26 -2.14 119.36 124.31 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 -0.14 0.00 0.00 -0.75 0.00 0.00 39.64 39.32 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 1.13 1.99 2.43 7.39 0.00 -1.13 -5.07 105.19 111.94 2rqe n GLY 70 Ca 0.09 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.12 -3.99 1.61 9.92 -0.91 -4.80 116.55 117.26 2rqe n ASP 71 Ca 0.00 -1.08 -0.08 0.00 -0.53 0.00 0.00 54.79 53.10 2rqe n ASP 71 Cb 0.00 -0.68 -0.09 0.00 -0.64 0.00 0.00 41.12 39.72 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 -4.76 0.75 0.02 -1.24 1.02 -1.26 -1.89 119.74 112.38 2rqe s LYS 72 Ca 0.49 -1.12 0.01 0.00 0.02 0.00 0.00 55.97 55.37 2rqe s LYS 72 Cb -0.04 0.28 -0.02 0.00 -0.52 0.00 0.00 37.83 37.54 2rqe s LYS 72 CO 0.36 -0.20 -0.05 0.42 -0.92 0.00 0.00 175.35 174.96 2rqe s ILE 73 N -3.90 0.30 -0.25 2.17 1.01 0.88 -1.98 121.20 119.43 2rqe s ILE 73 Ca 0.08 -0.70 -0.02 0.00 0.00 0.00 0.00 60.65 60.00 2rqe s ILE 73 Cb 0.06 -0.36 0.12 0.00 0.01 0.00 0.00 42.46 42.29 2rqe s ILE 73 CO -0.09 -0.27 0.28 -0.31 0.00 0.00 0.00 174.94 174.55 2rqe s TYR 74 N -0.96 -0.44 0.00 3.97 2.02 -1.26 0.22 117.35 120.90 2rqe s TYR 74 Ca -0.08 0.10 0.00 0.00 -0.37 0.00 0.00 57.07 56.72 2rqe s TYR 74 Cb -0.07 -0.36 0.00 0.00 -0.40 0.00 0.00 41.96 41.13 2rqe s TYR 74 CO -0.00 -0.78 0.00 1.97 -1.57 0.00 0.00 175.55 175.17 2rqe n PHE 75 N 5.32 -0.58 -4.31 2.71 -1.74 -1.26 -4.19 117.46 113.41 2rqe n PHE 75 Ca -0.04 0.00 -0.17 0.00 -0.56 0.00 0.00 57.45 56.69 2rqe n PHE 75 Cb 0.48 0.00 -0.10 0.00 1.52 0.00 0.00 39.48 41.38 2rqe n PHE 75 CO 0.00 0.00 0.00 1.67 -0.56 0.00 0.00 176.76 177.87 2rqe s TRP 76 N -6.18 1.51 0.01 2.97 1.48 -1.25 -3.30 118.94 114.18 2rqe s TRP 76 Ca 0.00 -1.27 -0.03 0.00 -1.06 0.00 0.00 56.10 53.73 2rqe s TRP 76 Cb 0.00 -0.84 -0.01 0.00 -1.16 0.00 0.00 33.47 31.46 2rqe s TRP 76 CO 0.00 -0.44 0.05 0.95 -4.06 0.00 0.00 176.95 173.45 2rqe s THR 77 N -3.75 0.09 -0.00 0.66 -4.23 -1.25 -3.72 115.64 103.44 2rqe s THR 77 Ca 0.37 -0.73 0.03 0.00 -1.18 0.00 0.00 61.69 60.17 2rqe s THR 77 Cb 0.07 -0.32 -0.03 0.00 1.34 0.00 0.00 72.50 73.56 2rqe s THR 77 CO 0.15 -0.40 -0.05 0.12 -0.54 0.00 0.00 174.62 173.90 2rqe s PHE 78 N -1.29 2.94 0.18 3.99 5.36 -1.21 -1.42 117.98 126.54 2rqe s PHE 78 Ca -0.14 -0.00 -0.05 0.00 -0.96 0.00 0.00 56.93 55.78 2rqe s PHE 78 Cb -0.08 -1.63 -0.03 0.00 -0.34 0.00 0.00 43.02 40.94 2rqe s PHE 78 CO 0.00 0.40 0.21 0.14 -1.46 0.00 0.00 175.22 174.50 2rqe s VAL 79 N -1.01 0.04 -0.32 3.12 -7.23 0.26 -1.34 120.40 113.91 2rqe s VAL 79 Ca 0.17 -1.74 0.02 0.00 -1.81 0.00 0.00 61.98 58.62 2rqe s VAL 79 Cb -0.11 -2.19 0.15 0.00 0.56 0.00 0.00 36.38 34.79 2rqe s VAL 79 CO 0.08 -0.18 0.36 -0.63 -0.31 0.00 0.00 175.10 174.42 2rqe s ILE 80 N -4.07 -0.45 -0.11 -0.62 1.01 -0.83 -1.93 121.20 114.22 2rqe s ILE 80 Ca 0.28 -0.62 -0.00 0.00 0.00 0.00 0.00 60.65 60.30 2rqe s ILE 80 Cb 0.05 -0.84 -0.02 0.00 0.01 0.00 0.00 42.46 41.66 2rqe s ILE 80 CO 0.06 -0.46 -0.10 -0.75 0.00 0.00 0.00 174.94 173.70 2rqe s LYS 81 N 2.03 3.17 -1.47 2.79 2.20 -1.26 0.14 119.74 127.34 2rqe s LYS 81 Ca 0.12 -0.62 -0.14 0.00 -0.36 0.00 0.00 55.97 54.97 2rqe s LYS 81 Cb -0.14 -2.64 0.11 0.00 -1.51 0.00 0.00 37.83 33.65 2rqe s LYS 81 CO -0.20 0.38 0.68 -0.25 -0.36 0.00 0.00 175.35 175.59 2rqe n ASP 82 N 3.06 -3.72 -2.40 1.43 8.00 -1.24 0.19 116.55 121.87 2rqe n ASP 82 Ca -0.18 -0.68 -0.15 0.00 0.71 0.00 0.00 54.79 54.49 2rqe n ASP 82 Cb 0.53 -3.05 -0.01 0.00 -0.02 0.00 0.00 41.12 38.57 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 -1.32 -0.44 0.08 0.44 0.00 -1.26 -4.86 105.19 97.82 2rqe n GLY 83 Ca 0.03 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.96 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 -2.86 1.85 -0.09 0.99 4.77 0.13 -5.12 117.00 116.68 2rqe n LEU 84 Ca -0.18 0.52 0.00 0.00 -0.03 0.00 0.00 56.01 56.32 2rqe n LEU 84 Cb 0.64 -0.85 0.00 0.00 -2.33 0.00 0.00 43.42 40.88 2rqe n LEU 84 CO 0.21 -0.29 0.00 0.61 -1.33 0.00 0.00 177.39 176.60 2rqe n GLY 85 N 1.54 0.41 3.21 -0.72 0.00 -1.25 -4.94 105.19 103.43 2rqe n GLY 85 Ca -0.14 -1.13 -0.09 0.00 0.00 0.00 0.00 46.02 44.65 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 -0.01 0.55 -0.26 1.61 2.02 -0.81 -4.94 117.35 115.50 2rqe s TYR 86 Ca 0.00 -0.95 -0.19 0.00 -0.37 0.00 0.00 57.07 55.55 2rqe s TYR 86 Cb 0.00 -0.26 0.07 0.00 -0.40 0.00 0.00 41.96 41.37 2rqe s TYR 86 CO 0.00 -0.57 0.67 0.50 -1.57 0.00 0.00 175.55 174.58 2rqe s ARG 87 N -3.97 0.73 0.51 -0.62 3.00 -1.26 -0.57 118.95 116.76 2rqe s ARG 87 Ca 0.16 1.07 -0.15 0.00 -1.00 0.00 0.00 55.73 55.81 2rqe s ARG 87 Cb 0.06 0.25 -0.07 0.00 0.00 0.00 0.00 34.95 35.18 2rqe s ARG 87 CO -0.02 -0.12 0.96 -1.14 0.00 0.00 0.00 175.30 174.97 2rqe s GLN 88 N 1.03 3.91 0.00 5.12 2.00 -0.51 -4.44 119.66 126.77 2rqe s GLN 88 Ca -0.05 0.88 0.00 0.00 -2.00 0.00 0.00 55.36 54.19 2rqe s GLN 88 Cb -0.05 -2.16 0.00 0.00 0.80 0.00 0.00 33.01 31.59 2rqe s GLN 88 CO -0.10 -0.26 0.00 -0.40 -0.50 0.00 0.00 175.29 174.03 2rqe n ASP 89 N -1.61 0.12 0.00 6.67 5.75 -1.26 -3.80 116.55 122.41 2rqe n ASP 89 Ca 0.06 -0.47 0.00 0.00 -0.01 0.00 0.00 54.79 54.37 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 -1.36 0.00 -3.14 -1.12 2.85 -1.26 -4.69 115.26 106.53 2rqe n ASN 90 Ca 0.00 0.00 -0.16 0.00 -0.11 0.00 0.00 54.58 54.31 2rqe n ASN 90 Cb 0.00 0.00 0.02 0.00 1.24 0.00 0.00 39.78 41.04 2rqe n ASN 90 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2rqe n GLY 91 N 0.00 -0.98 3.16 8.20 0.00 -1.21 -4.87 105.19 109.49 2rqe n GLY 91 Ca 0.00 0.79 0.05 0.00 0.00 0.00 0.00 46.02 46.86 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 -2.00 0.22 -0.20 1.61 2.12 -1.17 -4.37 118.70 114.91 2rqe s GLU 92 Ca 0.20 0.40 -0.04 0.00 0.36 0.00 0.00 54.97 55.88 2rqe s GLU 92 Cb -0.03 0.23 0.10 0.00 0.26 0.00 0.00 34.13 34.69 2rqe s GLU 92 CO 0.62 -0.23 0.34 -1.58 -0.54 0.00 0.00 175.26 173.88 2rqe s TRP 93 N 2.91 -0.66 0.03 5.30 0.51 0.13 -4.96 118.94 122.20 2rqe s TRP 93 Ca 0.01 0.96 -0.21 0.00 -2.12 0.00 0.00 56.10 54.74 2rqe s TRP 93 Cb -0.10 0.03 -0.06 0.00 -0.81 0.00 0.00 33.47 32.53 2rqe s TRP 93 CO -0.12 -0.56 0.63 0.99 -0.51 0.00 0.00 176.95 177.37 2rqe s THR 94 N 2.51 4.82 -0.24 2.01 2.01 -1.26 -0.08 115.64 125.40 2rqe s THR 94 Ca 0.06 1.33 -0.29 0.00 0.31 0.00 0.00 61.69 63.10 2rqe s THR 94 Cb -0.14 -3.97 -0.02 0.00 0.01 0.00 0.00 72.50 68.39 2rqe s THR 94 CO -0.13 0.44 1.50 -0.69 -0.69 0.00 0.00 174.62 175.05 2rqe s VAL 95 N -0.38 3.86 -0.01 3.82 1.01 -0.79 -4.81 120.40 123.10 2rqe s VAL 95 Ca 0.32 0.97 0.02 0.00 0.00 0.00 0.00 61.98 63.28 2rqe s VAL 95 Cb -0.19 -3.86 0.02 0.00 0.00 0.00 0.00 36.38 32.35 2rqe s VAL 95 CO 0.19 -0.35 0.76 -0.62 0.00 0.00 0.00 175.10 175.08 2rqe n GLU 96 N 7.52 0.87 -4.49 2.72 1.02 -1.26 -2.82 120.64 124.20 2rqe n GLU 96 Ca 0.17 -1.01 -0.25 0.00 -0.02 0.00 0.00 57.16 56.05 2rqe n GLU 96 Cb 0.46 -0.71 -0.08 0.00 -0.02 0.00 0.00 31.44 31.08 2rqe n GLU 96 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 2rqe s GLY 97 N -0.66 2.56 0.08 0.62 0.00 -1.26 -5.08 107.32 103.58 2rqe s GLY 97 Ca 0.03 -1.33 -0.07 0.00 0.00 0.00 0.00 44.72 43.35 2rqe s GLY 97 CO 0.00 -1.80 0.13 -0.12 0.00 0.00 0.00 173.10 171.32 2rqe s PHE 98 N -3.24 0.28 0.17 1.90 5.36 -1.26 -3.48 117.98 117.70 2rqe s PHE 98 Ca 0.26 -0.73 -0.24 0.00 -0.96 0.00 0.00 56.93 55.25 2rqe s PHE 98 Cb 0.03 -0.16 0.06 0.00 -0.34 0.00 0.00 43.02 42.61 2rqe s PHE 98 CO 0.15 -0.51 0.85 0.14 -1.46 0.00 0.00 175.22 174.39 2rqe s VAL 99 N -3.89 0.00 -0.02 3.12 -7.23 -1.14 -4.63 120.40 106.61 2rqe s VAL 99 Ca 0.07 -0.60 0.04 0.00 -1.81 0.00 0.00 61.98 59.67 2rqe s VAL 99 Cb 0.06 -1.76 -0.00 0.00 0.56 0.00 0.00 36.38 35.24 2rqe s VAL 99 CO -0.10 0.00 -0.13 1.51 -0.31 0.00 0.00 175.10 176.07 2rqe s ASP 100 N -2.85 1.63 -0.34 4.85 1.47 -1.26 -3.79 116.67 116.38 2rqe s ASP 100 Ca 0.10 -0.26 -0.02 0.00 1.18 0.00 0.00 52.55 53.55 2rqe s ASP 100 Cb -0.03 -0.34 0.17 0.00 -0.34 0.00 0.00 42.92 42.38 2rqe s ASP 100 CO 0.00 0.13 2.21 1.21 0.68 0.00 0.00 175.17 179.40 2rqe n GLU 101 N 3.04 1.92 0.00 2.11 4.07 -1.26 -5.05 120.64 125.47 2rqe n GLU 101 Ca -0.17 -1.70 0.00 0.00 -0.06 0.00 0.00 57.16 55.23 2rqe n GLU 101 Cb 0.54 -1.73 0.00 0.00 -0.06 0.00 0.00 31.44 30.20 2rqe n GLU 101 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07