#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bxn s ARG 2 N 0.00 0.07 -0.21 0.03 3.52 -1.26 -4.90 118.95 116.20 1bxn s ARG 2 Ca 0.00 0.17 -0.29 0.00 -0.13 0.00 0.00 55.73 55.48 1bxn s ARG 2 Cb 0.00 0.08 -0.03 0.00 -1.56 0.00 0.00 34.95 33.44 1bxn s ARG 2 CO 0.00 -0.02 1.65 0.42 -0.81 0.00 0.00 175.30 176.54 1bxn s ILE 3 N 1.82 3.65 -0.53 4.11 1.09 -1.26 -4.87 121.20 125.20 1bxn s ILE 3 Ca -0.02 0.73 -0.01 0.00 -1.10 0.00 0.00 60.65 60.24 1bxn s ILE 3 Cb -0.02 -3.66 0.39 0.00 -1.06 0.00 0.00 42.46 38.11 1bxn s ILE 3 CO -0.15 -0.28 2.00 0.41 -0.10 0.00 0.00 174.94 176.83 1bxn n THR 4 N 6.44 3.29 -1.65 2.92 -1.04 -1.26 -4.77 114.28 118.21 1bxn n THR 4 Ca 0.19 -2.39 -0.33 0.00 -2.04 0.00 0.00 64.05 59.48 1bxn n THR 4 Cb 0.45 -1.15 -0.04 0.00 -1.82 0.00 0.00 70.33 67.77 1bxn n THR 4 CO 0.00 0.00 0.00 1.67 -0.64 0.00 0.00 175.07 176.10 1bxn n GLN 5 N -0.52 3.55 0.00 -2.82 7.27 -1.26 -4.88 117.38 118.72 1bxn n GLN 5 Ca 0.51 -2.71 0.00 0.00 0.07 0.00 0.00 57.00 54.88 1bxn n GLN 5 Cb 0.72 -2.44 0.00 0.00 2.41 0.00 0.00 30.24 30.93 1bxn n GLN 5 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1bxn n GLY 6 N 1.78 1.53 3.76 1.69 0.00 -1.26 -4.79 105.19 107.90 1bxn n GLY 6 Ca 0.59 -0.59 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 1bxn n GLY 6 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1bxn s THR 7 N -2.00 2.60 0.00 2.61 2.01 0.16 -2.42 115.64 118.60 1bxn s THR 7 Ca 0.00 0.44 0.00 0.00 0.31 0.00 0.00 61.69 62.44 1bxn s THR 7 Cb 0.00 -3.22 0.00 0.00 0.01 0.00 0.00 72.50 69.29 1bxn s THR 7 CO 0.00 -0.01 0.00 0.49 -0.69 0.00 0.00 174.62 174.41 1bxn n PHE 8 N -0.84 0.00 0.86 4.92 0.99 -1.26 -4.32 117.46 117.82 1bxn n PHE 8 Ca 0.09 0.00 0.08 0.00 -0.00 0.00 0.00 57.45 57.62 1bxn n PHE 8 Cb 0.47 -0.78 0.43 0.00 -1.00 0.00 0.00 39.48 38.59 1bxn n PHE 8 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.76 177.19 1bxn n SER 9 N 0.00 0.00 -0.94 4.37 7.64 -1.02 -1.30 113.62 122.38 1bxn n SER 9 Ca 0.00 -0.26 0.12 0.00 1.01 0.00 0.00 58.87 59.74 1bxn n SER 9 Cb 0.00 -0.12 0.20 0.00 -1.01 0.00 0.00 64.21 63.28 1bxn n SER 9 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1bxn n PHE 10 N -1.12 0.16 -4.07 1.43 3.01 -1.26 -4.87 117.46 110.74 1bxn n PHE 10 Ca 0.10 -0.08 -0.23 0.00 1.01 0.00 0.00 57.45 58.24 1bxn n PHE 10 Cb 0.08 0.00 -0.06 0.00 -0.01 0.00 0.00 39.48 39.49 1bxn n PHE 10 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1bxn s LEU 11 N -1.82 3.21 0.81 4.37 1.43 -0.42 -5.11 118.68 121.15 1bxn s LEU 11 Ca 0.33 -0.88 -0.12 0.00 -1.03 0.00 0.00 54.13 52.43 1bxn s LEU 11 Cb 0.21 -1.65 0.08 0.00 0.03 0.00 0.00 46.19 44.86 1bxn s LEU 11 CO 0.31 -0.41 1.14 -2.16 0.23 0.00 0.00 176.35 175.45 1bxn s PRO 12 N -3.89 1.79 0.14 1.29 0.04 -1.26 -4.88 135.00 128.23 1bxn s PRO 12 Ca 0.40 1.45 -0.35 0.00 0.04 0.00 0.00 61.00 62.54 1bxn s PRO 12 Cb -0.00 -1.82 -0.15 0.00 0.04 0.00 0.00 34.50 32.56 1bxn s PRO 12 CO 0.23 -2.04 1.38 0.39 0.04 0.00 0.00 177.00 177.00 1bxn n GLU 13 N -3.56 1.52 -1.97 4.56 -0.58 -1.26 -4.90 120.64 114.45 1bxn n GLU 13 Ca 0.11 0.55 -0.37 0.00 -0.42 0.00 0.00 57.16 57.03 1bxn n GLU 13 Cb 0.52 -2.20 0.03 0.00 -0.57 0.00 0.00 31.44 29.22 1bxn n GLU 13 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1bxn s LEU 14 N 0.59 3.78 0.22 -4.62 1.43 -1.26 -5.02 118.68 113.79 1bxn s LEU 14 Ca 0.79 2.51 0.01 0.00 -1.03 0.00 0.00 54.13 56.40 1bxn s LEU 14 Cb -0.83 -4.44 -0.04 0.00 0.03 0.00 0.00 46.19 40.91 1bxn s LEU 14 CO 0.46 -1.50 0.40 0.42 0.23 0.00 0.00 176.35 176.36 1bxn s THR 15 N -1.48 5.21 0.55 5.49 -4.23 -1.26 -4.88 115.64 115.04 1bxn s THR 15 Ca 0.74 -0.50 0.31 0.00 -1.18 0.00 0.00 61.69 61.06 1bxn s THR 15 Cb -0.34 -3.77 0.45 0.00 1.34 0.00 0.00 72.50 70.19 1bxn s THR 15 CO 0.38 -0.25 1.88 0.44 -0.54 0.00 0.00 174.62 176.54 1bxn h ASP 16 N 1.70 0.00 -0.26 3.99 3.45 -1.98 0.44 116.42 123.76 1bxn h ASP 16 Ca -0.49 0.00 -0.08 0.00 0.43 0.00 0.00 57.03 56.89 1bxn h ASP 16 Cb 1.20 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 39.96 1bxn h ASP 16 CO 0.66 0.00 -0.14 -0.33 -1.57 0.00 0.00 179.24 177.86 1bxn h GLU 17 N 0.00 0.57 -0.30 3.56 3.07 -1.99 -1.14 114.58 118.34 1bxn h GLU 17 Ca 0.37 -0.25 -0.08 0.00 -0.50 0.00 0.00 59.36 58.89 1bxn h GLU 17 Cb 1.57 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 29.46 1bxn h GLU 17 CO -0.00 0.82 -0.14 1.96 -1.40 0.00 0.00 179.01 180.25 1bxn h GLN 18 N 0.30 0.62 -0.37 2.33 4.20 -0.63 -2.74 115.11 118.82 1bxn h GLN 18 Ca 0.06 -0.27 0.04 0.00 0.06 0.00 0.00 58.65 58.54 1bxn h GLN 18 Cb 0.66 -0.02 -0.04 0.00 0.30 0.00 0.00 27.48 28.39 1bxn h GLN 18 CO 0.04 0.84 0.15 0.82 -0.67 0.00 0.00 178.83 180.02 1bxn h ILE 19 N 0.37 0.92 -0.97 2.54 2.04 -0.77 -1.47 117.51 120.18 1bxn h ILE 19 Ca 0.07 -0.11 0.05 0.00 1.00 0.00 0.00 64.86 65.87 1bxn h ILE 19 Cb 0.66 0.58 -0.06 0.00 -0.74 0.00 0.00 36.82 37.25 1bxn h ILE 19 CO 0.04 0.06 0.63 0.71 0.00 0.00 0.00 178.15 179.59 1bxn h THR 20 N 0.31 1.12 -0.34 -0.27 1.35 -1.17 0.18 112.91 114.10 1bxn h THR 20 Ca 0.17 -0.40 0.00 0.00 -0.55 0.00 0.00 66.41 65.63 1bxn h THR 20 Cb 0.12 -0.15 -0.02 0.00 -1.73 0.00 0.00 68.15 66.37 1bxn h THR 20 CO -0.15 0.21 0.23 0.11 -0.25 0.00 0.00 175.52 175.67 1bxn h LYS 21 N 1.17 0.45 -0.13 4.72 1.57 -0.99 0.42 116.57 123.78 1bxn h LYS 21 Ca 0.40 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 59.15 1bxn h LYS 21 Cb 0.10 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 1bxn h LYS 21 CO -0.14 0.30 0.05 1.96 -0.57 0.00 0.00 179.45 181.05 1bxn h GLN 22 N 0.47 0.19 -0.89 3.15 1.08 -0.35 -1.27 115.11 117.48 1bxn h GLN 22 Ca 0.13 -0.03 0.14 0.00 -1.45 0.00 0.00 58.65 57.43 1bxn h GLN 22 Cb -0.05 -0.03 -0.09 0.00 -0.05 0.00 0.00 27.48 27.26 1bxn h GLN 22 CO -0.03 0.28 0.50 -0.07 -0.95 0.00 0.00 178.83 178.57 1bxn h LEU 23 N 0.06 0.67 -0.25 1.46 3.38 -0.33 0.11 115.31 120.40 1bxn h LEU 23 Ca 0.04 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 1bxn h LEU 23 Cb 0.16 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 1bxn h LEU 23 CO -0.00 0.31 0.13 -0.33 0.09 0.00 0.00 178.44 178.64 1bxn h GLU 24 N 0.75 0.36 -0.48 1.13 5.08 -0.46 -0.42 114.58 120.54 1bxn h GLU 24 Ca 0.47 -0.05 0.10 0.00 -1.00 0.00 0.00 59.36 58.88 1bxn h GLU 24 Cb 0.59 -0.07 -0.09 0.00 0.50 0.00 0.00 28.75 29.68 1bxn h GLU 24 CO -0.32 0.34 -0.14 -0.92 -1.00 0.00 0.00 179.01 176.97 1bxn h TYR 25 N 0.29 -0.30 0.60 4.33 3.20 0.34 0.66 116.97 126.09 1bxn h TYR 25 Ca 0.09 0.04 -0.03 0.00 3.14 0.00 0.00 58.73 61.97 1bxn h TYR 25 Cb 0.09 0.21 0.01 0.00 1.54 0.00 0.00 36.73 38.57 1bxn h TYR 25 CO -0.03 -0.22 -0.29 0.00 -1.64 0.00 0.00 178.16 175.98 1bxn h LEU 27 N -0.83 0.46 -1.05 0.00 3.38 -0.16 0.18 115.31 117.28 1bxn h LEU 27 Ca -0.08 0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.81 1bxn h LEU 27 Cb 0.63 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 1bxn h LEU 27 CO 0.13 0.27 -0.30 0.78 0.09 0.00 0.00 178.44 179.41 1bxn h ASN 28 N 0.50 0.30 0.63 -0.43 -0.26 0.61 -0.84 115.58 116.10 1bxn h ASN 28 Ca 0.31 -0.10 0.00 0.00 -0.56 0.00 0.00 56.30 55.95 1bxn h ASN 28 Cb 0.55 -0.08 0.00 0.00 -1.06 0.00 0.00 38.32 37.73 1bxn h ASN 28 CO -0.10 0.60 -0.15 0.00 -1.06 0.00 0.00 177.43 176.73 1bxn n GLN 29 N -4.11 0.28 -2.53 0.81 1.13 0.47 -4.93 117.38 108.50 1bxn n GLN 29 Ca -0.01 -0.08 -0.03 0.00 -1.94 0.00 0.00 57.00 54.94 1bxn n GLN 29 Cb 0.41 -1.50 0.01 0.00 0.11 0.00 0.00 30.24 29.27 1bxn n GLN 29 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1bxn n GLY 30 N 1.40 0.67 3.86 1.08 0.00 -0.29 -5.04 105.19 106.86 1bxn n GLY 30 Ca 0.10 -0.60 -0.37 0.00 0.00 0.00 0.00 46.02 45.15 1bxn n GLY 30 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1bxn s TRP 31 N -2.86 3.59 0.10 1.61 0.51 -0.74 -4.59 118.94 116.56 1bxn s TRP 31 Ca 0.06 0.56 -0.30 0.00 -2.12 0.00 0.00 56.10 54.30 1bxn s TRP 31 Cb -0.03 -2.01 -0.06 0.00 -0.81 0.00 0.00 33.47 30.56 1bxn s TRP 31 CO 0.07 0.67 1.18 0.00 -0.51 0.00 0.00 176.95 178.37 1bxn s ALA 32 N -0.85 3.39 -0.12 0.98 0.00 -0.50 -4.39 121.76 120.28 1bxn s ALA 32 Ca 0.15 0.86 -0.02 0.00 0.00 0.00 0.00 51.96 52.95 1bxn s ALA 32 Cb -0.12 -3.42 -0.03 0.00 0.00 0.00 0.00 23.12 19.54 1bxn s ALA 32 CO 0.04 -0.39 -0.04 0.08 0.00 0.00 0.00 175.76 175.46 1bxn s VAL 33 N 0.67 3.92 0.13 0.00 1.01 -1.21 -0.41 120.40 124.51 1bxn s VAL 33 Ca 0.56 -0.37 0.06 0.00 0.00 0.00 0.00 61.98 62.23 1bxn s VAL 33 Cb -0.30 -2.68 -0.04 0.00 0.00 0.00 0.00 36.38 33.36 1bxn s VAL 33 CO 0.31 0.54 -0.13 -0.83 0.00 0.00 0.00 175.10 174.99 1bxn s GLY 34 N -0.13 1.09 -0.06 4.51 0.00 0.18 -0.19 107.32 112.72 1bxn s GLY 34 Ca 0.03 -1.36 0.04 0.00 0.00 0.00 0.00 44.72 43.43 1bxn s GLY 34 CO 0.02 -1.43 -0.18 1.08 0.00 0.00 0.00 173.10 172.59 1bxn s LEU 35 N -2.69 2.50 0.08 0.66 1.43 -1.26 -0.79 118.68 118.60 1bxn s LEU 35 Ca 0.12 -0.32 0.01 0.00 -1.03 0.00 0.00 54.13 52.90 1bxn s LEU 35 Cb -0.03 -1.50 -0.04 0.00 0.03 0.00 0.00 46.19 44.66 1bxn s LEU 35 CO 0.03 0.29 -0.05 -1.61 0.23 0.00 0.00 176.35 175.24 1bxn s GLU 36 N -0.42 0.73 -0.03 1.70 2.02 -0.46 -0.85 118.70 121.38 1bxn s GLU 36 Ca 0.05 -1.27 -0.23 0.00 0.02 0.00 0.00 54.97 53.53 1bxn s GLU 36 Cb -0.12 -0.03 0.05 0.00 0.10 0.00 0.00 34.13 34.13 1bxn s GLU 36 CO 0.02 -0.06 0.50 1.52 0.02 0.00 0.00 175.26 177.26 1bxn s TYR 37 N -3.71 -0.43 0.08 1.61 -0.85 0.46 -1.03 117.35 113.49 1bxn s TYR 37 Ca 0.09 0.70 -0.26 0.00 -0.52 0.00 0.00 57.07 57.09 1bxn s TYR 37 Cb 0.06 0.26 0.08 0.00 0.38 0.00 0.00 41.96 42.75 1bxn s TYR 37 CO -0.07 -0.51 0.75 0.99 -1.52 0.00 0.00 175.55 175.19 1bxn s THR 38 N -1.31 0.00 -0.68 -3.49 2.01 -0.80 -0.75 115.64 110.63 1bxn s THR 38 Ca -0.12 -0.05 0.17 0.00 0.31 0.00 0.00 61.69 62.00 1bxn s THR 38 Cb -0.02 -1.06 -0.20 0.00 0.01 0.00 0.00 72.50 71.23 1bxn s THR 38 CO 0.07 0.00 0.67 -0.90 -0.69 0.00 0.00 174.62 173.77 1bxn n ASP 39 N -0.32 0.83 -4.17 3.53 5.75 -1.26 -1.00 116.55 119.92 1bxn n ASP 39 Ca -0.12 -0.75 -0.39 0.00 -0.01 0.00 0.00 54.79 53.51 1bxn n ASP 39 Cb 0.63 1.14 -0.06 0.00 -1.03 0.00 0.00 41.12 41.80 1bxn n ASP 39 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1bxn s ASP 40 N -2.85 5.97 -0.12 -1.12 3.68 -1.26 -4.92 116.67 116.05 1bxn s ASP 40 Ca 0.04 -3.15 -0.04 0.00 2.13 0.00 0.00 52.55 51.54 1bxn s ASP 40 Cb 0.13 -1.98 -0.09 0.00 -1.45 0.00 0.00 42.92 39.53 1bxn s ASP 40 CO 0.71 -0.35 2.91 -0.81 0.13 0.00 0.00 175.17 177.75 1bxn n PRO 41 N 3.18 1.81 -1.93 4.34 -0.04 -1.26 -4.88 135.00 136.22 1bxn n PRO 41 Ca 0.15 -1.07 -0.42 0.00 -0.04 0.00 0.00 63.50 62.12 1bxn n PRO 41 Cb 0.40 -1.74 -0.02 0.00 -0.04 0.00 0.00 33.50 32.09 1bxn n PRO 41 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 1bxn s HIS 42 N -0.05 2.97 -0.19 0.54 2.46 -1.26 -4.84 115.29 114.92 1bxn s HIS 42 Ca 0.46 0.85 -0.34 0.00 0.47 0.00 0.00 55.06 56.50 1bxn s HIS 42 Cb 0.25 -3.91 -0.11 0.00 -0.13 0.00 0.00 32.58 28.67 1bxn s HIS 42 CO -0.04 -3.11 1.99 -2.30 -2.47 0.00 0.00 174.74 168.81 1bxn n PRO 43 N 2.74 1.78 -2.41 2.88 -0.02 -1.26 -0.71 135.00 138.00 1bxn n PRO 43 Ca 0.09 0.60 -0.04 0.00 -2.02 0.00 0.00 63.50 62.13 1bxn n PRO 43 Cb 0.39 -2.62 0.02 0.00 -0.02 0.00 0.00 33.50 31.27 1bxn n PRO 43 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1bxn n ARG 44 N 7.20 -1.68 -2.99 -0.52 5.12 -1.26 -4.96 116.66 117.56 1bxn n ARG 44 Ca 0.29 0.21 -0.39 0.00 -1.93 0.00 0.00 57.85 56.03 1bxn n ARG 44 Cb 0.28 -3.33 -0.01 0.00 -1.16 0.00 0.00 32.46 28.24 1bxn n ARG 44 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 1bxn n ASN 45 N -1.27 6.05 -4.68 0.55 4.05 0.11 -5.03 115.26 115.05 1bxn n ASN 45 Ca -0.06 -3.50 -0.32 0.00 0.45 0.00 0.00 54.58 51.14 1bxn n ASN 45 Cb 0.54 -1.10 0.15 0.00 1.23 0.00 0.00 39.78 40.59 1bxn n ASN 45 CO 0.00 0.00 0.00 0.41 -3.05 0.00 0.00 177.26 174.62 1bxn n THR 46 N 0.83 1.13 -1.75 -0.44 -1.04 -1.26 -4.21 114.28 107.54 1bxn n THR 46 Ca 0.31 -0.12 -0.02 0.00 -2.04 0.00 0.00 64.05 62.19 1bxn n THR 46 Cb 0.33 -1.10 0.01 0.00 -1.82 0.00 0.00 70.33 67.75 1bxn n THR 46 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 1bxn n TYR 47 N -3.71 -0.38 -1.56 -1.42 4.01 -1.26 -5.06 117.16 107.78 1bxn n TYR 47 Ca 0.13 0.13 -0.29 0.00 -0.16 0.00 0.00 57.90 57.71 1bxn n TYR 47 Cb 0.51 -2.60 0.16 0.00 -0.31 0.00 0.00 39.34 37.11 1bxn n TYR 47 CO 0.00 0.00 0.00 -1.58 -0.46 0.00 0.00 176.86 174.82 1bxn s TRP 48 N -3.05 1.94 0.02 -0.72 0.52 -1.26 -4.98 118.94 111.41 1bxn s TRP 48 Ca 0.06 0.65 -0.28 0.00 0.02 0.00 0.00 56.10 56.55 1bxn s TRP 48 Cb -0.01 -3.58 -0.04 0.00 -1.15 0.00 0.00 33.47 28.69 1bxn s TRP 48 CO 0.11 -2.69 0.91 -1.21 0.02 0.00 0.00 176.95 174.09 1bxn s GLU 49 N -5.46 4.57 0.05 4.98 8.01 0.07 -4.79 118.70 126.14 1bxn s GLU 49 Ca 0.67 1.31 -0.31 0.00 0.01 0.00 0.00 54.97 56.66 1bxn s GLU 49 Cb -0.11 -3.42 -0.05 0.00 -4.31 0.00 0.00 34.13 26.23 1bxn s GLU 49 CO 0.53 0.07 1.18 -1.64 0.01 0.00 0.00 175.26 175.42 1bxn s MET 50 N 0.59 4.44 -0.92 1.61 -1.94 -1.26 -0.40 119.30 121.42 1bxn s MET 50 Ca 0.47 1.74 -0.08 0.00 -1.71 0.00 0.00 55.69 56.11 1bxn s MET 50 Cb -0.21 -3.36 0.23 0.00 2.01 0.00 0.00 34.83 33.50 1bxn s MET 50 CO 0.26 -0.25 0.85 0.12 -0.01 0.00 0.00 175.02 176.00 1bxn s PHE 51 N 1.09 3.93 0.04 -0.03 5.36 -0.03 -4.94 117.98 123.40 1bxn s PHE 51 Ca 0.58 -2.55 0.00 0.00 -0.96 0.00 0.00 56.93 54.00 1bxn s PHE 51 Cb -0.29 -3.63 0.00 0.00 -0.34 0.00 0.00 43.02 38.76 1bxn s PHE 51 CO 0.29 -0.91 0.00 0.41 -1.46 0.00 0.00 175.22 173.55 1bxn n GLY 52 N 3.12 -2.69 3.77 13.12 0.00 -1.26 -4.47 105.19 116.77 1bxn n GLY 52 Ca 0.18 -1.41 -0.33 0.00 0.00 0.00 0.00 46.02 44.47 1bxn n GLY 52 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1bxn s LEU 53 N -4.09 3.35 0.23 0.99 1.43 -1.26 -4.66 118.68 114.68 1bxn s LEU 53 Ca 0.00 2.00 -0.32 0.00 -1.03 0.00 0.00 54.13 54.79 1bxn s LEU 53 Cb 0.00 -4.55 -0.12 0.00 0.03 0.00 0.00 46.19 41.55 1bxn s LEU 53 CO 0.00 -1.70 1.66 -2.65 0.23 0.00 0.00 176.35 173.89 1bxn n PRO 54 N -2.53 2.67 -2.29 1.29 -0.02 -1.26 -4.86 135.00 127.99 1bxn n PRO 54 Ca 0.10 0.96 -0.34 0.00 -2.02 0.00 0.00 63.50 62.20 1bxn n PRO 54 Cb 0.52 -2.77 -0.04 0.00 -0.02 0.00 0.00 33.50 31.20 1bxn n PRO 54 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 1bxn s MET 55 N 0.53 3.11 0.00 -0.52 -1.94 0.74 -4.85 119.30 116.37 1bxn s MET 55 Ca 0.71 -1.22 0.00 0.00 -1.71 0.00 0.00 55.69 53.48 1bxn s MET 55 Cb -0.52 -5.31 0.00 0.00 2.01 0.00 0.00 34.83 31.01 1bxn s MET 55 CO 0.39 -3.08 0.12 1.19 -0.01 0.00 0.00 175.02 173.63 1bxn n PHE 56 N 11.69 0.00 -1.97 -0.03 3.72 -1.26 -3.34 117.46 126.26 1bxn n PHE 56 Ca 0.43 0.00 -0.37 0.00 -0.05 0.00 0.00 57.45 57.46 1bxn n PHE 56 Cb 0.47 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 39.00 1bxn n PHE 56 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1bxn n ASP 57 N -0.12 7.43 -4.30 4.37 2.03 -1.26 -4.72 116.55 119.98 1bxn n ASP 57 Ca 0.00 -3.34 -0.45 0.00 0.52 0.00 0.00 54.79 51.52 1bxn n ASP 57 Cb 0.00 -1.26 -0.04 0.00 -0.72 0.00 0.00 41.12 39.10 1bxn n ASP 57 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 1bxn s LEU 58 N -2.78 6.40 -0.10 -2.67 0.20 -1.26 -4.95 118.68 113.52 1bxn s LEU 58 Ca 0.52 -2.40 -0.03 0.00 0.69 0.00 0.00 54.13 52.91 1bxn s LEU 58 Cb 0.27 -2.17 -0.13 0.00 -0.43 0.00 0.00 46.19 43.73 1bxn s LEU 58 CO -0.17 -0.64 2.15 -2.11 -0.29 0.00 0.00 176.35 175.29 1bxn n ARG 59 N 4.35 1.17 -3.14 1.98 -4.01 -1.26 -4.51 116.66 111.24 1bxn n ARG 59 Ca 0.04 -0.63 0.04 0.00 -1.04 0.00 0.00 57.85 56.26 1bxn n ARG 59 Cb 0.44 -1.84 -0.00 0.00 -3.04 0.00 0.00 32.46 28.01 1bxn n ARG 59 CO 0.00 0.00 0.00 0.34 -3.04 0.00 0.00 177.63 174.93 1bxn s ASP 60 N 2.59 -1.21 0.44 2.89 2.15 -1.26 -5.01 116.67 117.26 1bxn s ASP 60 Ca 0.36 0.08 0.18 0.00 0.43 0.00 0.00 52.55 53.60 1bxn s ASP 60 Cb 0.16 1.74 1.12 0.00 -0.30 0.00 0.00 42.92 45.65 1bxn s ASP 60 CO -0.00 -0.21 1.92 0.00 -0.17 0.00 0.00 175.17 176.70 1bxn h ALA 61 N 7.63 2.21 -0.89 3.66 0.00 -1.92 0.00 119.26 129.96 1bxn h ALA 61 Ca -0.03 -0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.90 1bxn h ALA 61 Cb 1.19 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.89 1bxn h ALA 61 CO 0.06 -0.43 0.59 0.00 0.00 0.00 0.00 179.25 179.47 1bxn h ALA 62 N 1.64 1.40 -0.52 0.00 0.00 -1.95 -0.90 119.26 118.93 1bxn h ALA 62 Ca 0.38 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.25 1bxn h ALA 62 Cb 0.96 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 18.38 1bxn h ALA 62 CO -0.11 0.54 0.33 0.78 0.00 0.00 0.00 179.25 180.79 1bxn h GLY 63 N 1.17 0.74 0.79 0.00 0.00 -1.39 -0.92 103.07 103.46 1bxn h GLY 63 Ca 0.34 -0.25 -0.01 0.00 0.00 0.00 0.00 47.33 47.40 1bxn h GLY 63 CO -0.08 0.22 0.02 -2.22 0.00 0.00 0.00 176.54 174.48 1bxn h ILE 64 N 0.65 1.22 -0.88 2.60 2.04 -1.42 -2.49 117.51 119.23 1bxn h ILE 64 Ca 0.20 -0.67 0.20 0.00 1.00 0.00 0.00 64.86 65.59 1bxn h ILE 64 Cb -0.01 1.47 -0.06 0.00 -0.74 0.00 0.00 36.82 37.48 1bxn h ILE 64 CO -0.08 0.19 0.59 0.25 0.00 0.00 0.00 178.15 179.11 1bxn h LEU 65 N -0.06 0.36 0.47 1.44 7.12 -0.80 0.23 115.31 124.06 1bxn h LEU 65 Ca 0.03 0.04 -0.02 0.00 0.13 0.00 0.00 57.88 58.05 1bxn h LEU 65 Cb 0.29 -0.03 0.00 0.00 -0.53 0.00 0.00 40.66 40.39 1bxn h LEU 65 CO 0.00 0.15 -0.23 -0.03 -0.13 0.00 0.00 178.44 178.20 1bxn h MET 66 N 0.36 -0.61 -0.71 1.25 4.05 -0.72 -2.35 114.93 116.20 1bxn h MET 66 Ca 0.45 0.04 0.10 0.00 -0.28 0.00 0.00 59.70 60.01 1bxn h MET 66 Cb 1.19 0.14 -0.05 0.00 -0.80 0.00 0.00 31.60 32.08 1bxn h MET 66 CO -0.15 -0.38 0.47 0.93 0.23 0.00 0.00 176.91 178.01 1bxn h GLU 67 N -0.68 0.58 0.61 0.39 4.39 -0.81 -0.42 114.58 118.64 1bxn h GLU 67 Ca -0.06 -0.03 -0.03 0.00 0.34 0.00 0.00 59.36 59.58 1bxn h GLU 67 Cb 0.51 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 29.02 1bxn h GLU 67 CO 0.11 0.38 -0.42 0.82 -1.16 0.00 0.00 179.01 178.74 1bxn h ILE 68 N 0.60 0.00 -0.94 3.13 2.04 -0.84 0.17 117.51 121.67 1bxn h ILE 68 Ca 0.33 0.00 0.11 0.00 1.00 0.00 0.00 64.86 66.30 1bxn h ILE 68 Cb 0.49 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 36.50 1bxn h ILE 68 CO -0.11 0.00 0.60 0.78 0.00 0.00 0.00 178.15 179.42 1bxn h ASN 69 N -0.98 0.85 -0.41 1.72 2.35 -0.90 0.13 115.58 118.34 1bxn h ASN 69 Ca -0.08 0.03 0.03 0.00 -0.55 0.00 0.00 56.30 55.73 1bxn h ASN 69 Cb 0.80 -0.14 -0.03 0.00 0.05 0.00 0.00 38.32 38.99 1bxn h ASN 69 CO 0.06 0.48 0.20 -1.13 -1.65 0.00 0.00 177.43 175.39 1bxn h ASN 70 N 0.93 0.30 -0.28 5.81 -0.00 -0.71 -1.74 115.58 119.89 1bxn h ASN 70 Ca 0.45 0.02 -0.00 0.00 -0.00 0.00 0.00 56.30 56.77 1bxn h ASN 70 Cb 0.46 -0.04 -0.01 0.00 -0.00 0.00 0.00 38.32 38.73 1bxn h ASN 70 CO -0.21 0.22 0.16 0.00 -0.00 0.00 0.00 177.43 177.59 1bxn h ALA 71 N 1.21 0.35 -0.82 1.57 0.00 0.19 -1.78 119.26 119.99 1bxn h ALA 71 Ca 0.17 -0.05 0.15 0.00 0.00 0.00 0.00 54.91 55.18 1bxn h ALA 71 Cb 0.08 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 17.70 1bxn h ALA 71 CO -0.12 -0.13 0.54 0.00 0.00 0.00 0.00 179.25 179.53 1bxn h ARG 72 N 0.34 0.52 -0.09 0.00 3.08 -0.56 0.44 114.38 118.12 1bxn h ARG 72 Ca 0.10 -0.03 -0.06 0.00 0.07 0.00 0.00 59.98 60.06 1bxn h ARG 72 Cb 0.03 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 29.97 1bxn h ARG 72 CO -0.02 0.35 -0.18 -0.91 -1.07 0.00 0.00 179.97 178.14 1bxn h ASN 73 N 0.54 0.32 -0.56 7.04 2.35 -0.73 -2.24 115.58 122.30 1bxn h ASN 73 Ca 0.41 -0.56 -0.11 0.00 -0.55 0.00 0.00 56.30 55.49 1bxn h ASN 73 Cb 0.80 -0.09 -0.02 0.00 0.05 0.00 0.00 38.32 39.06 1bxn h ASN 73 CO -0.16 0.82 -0.08 0.74 -1.65 0.00 0.00 177.43 177.10 1bxn h THR 74 N -0.17 1.27 -2.77 2.81 2.02 -0.43 -3.36 112.91 112.27 1bxn h THR 74 Ca 0.00 -1.24 -0.61 0.00 0.77 0.00 0.00 66.41 65.33 1bxn h THR 74 Cb 0.77 0.92 -0.41 0.00 -1.74 0.00 0.00 68.15 67.69 1bxn h THR 74 CO 0.04 0.44 -0.71 0.49 0.37 0.00 0.00 175.52 176.15 1bxn n PHE 75 N -4.16 1.91 -0.01 3.16 3.01 0.15 -4.94 117.46 116.58 1bxn n PHE 75 Ca 0.02 -3.98 -0.13 0.00 1.01 0.00 0.00 57.45 54.37 1bxn n PHE 75 Cb 0.39 -0.35 -0.10 0.00 -0.01 0.00 0.00 39.48 39.42 1bxn n PHE 75 CO 0.00 0.00 0.00 -1.35 1.01 0.00 0.00 176.76 176.42 1bxn h PRO 76 N 5.32 -0.03 -2.42 -1.08 0.11 -1.56 -3.31 132.00 129.03 1bxn h PRO 76 Ca 0.19 0.00 -0.47 0.00 0.11 0.00 0.00 66.00 65.83 1bxn h PRO 76 Cb 0.80 0.01 -0.06 0.00 0.11 0.00 0.00 31.00 31.86 1bxn h PRO 76 CO 0.61 0.52 1.55 0.09 -0.21 0.00 0.00 178.00 180.56 1bxn n ASN 77 N -4.83 6.99 -3.86 -2.05 4.13 -1.26 -4.62 115.26 109.76 1bxn n ASN 77 Ca -0.09 -2.69 -0.09 0.00 1.68 0.00 0.00 54.58 53.39 1bxn n ASN 77 Cb 0.28 -1.44 -0.06 0.00 -1.54 0.00 0.00 39.78 37.03 1bxn n ASN 77 CO 0.00 0.00 0.00 -1.00 0.28 0.00 0.00 177.26 176.54 1bxn s HIS 78 N 0.77 0.17 -0.10 3.10 3.76 -1.25 -4.85 115.29 116.89 1bxn s HIS 78 Ca 0.65 -0.55 -0.12 0.00 -0.15 0.00 0.00 55.06 54.89 1bxn s HIS 78 Cb 0.26 0.04 -0.05 0.00 1.11 0.00 0.00 32.58 33.95 1bxn s HIS 78 CO -0.06 -0.69 0.28 0.71 -0.85 0.00 0.00 174.74 174.13 1bxn s TYR 79 N -3.90 3.58 0.02 1.40 1.51 -0.17 -3.33 117.35 116.47 1bxn s TYR 79 Ca 0.10 0.69 0.05 0.00 -1.01 0.00 0.00 57.07 56.91 1bxn s TYR 79 Cb 0.03 -2.22 -0.02 0.00 -0.11 0.00 0.00 41.96 39.64 1bxn s TYR 79 CO -0.05 0.49 -0.16 0.42 -1.11 0.00 0.00 175.55 175.14 1bxn s ILE 80 N -0.38 1.25 0.04 2.71 1.01 -0.46 -1.90 121.20 123.47 1bxn s ILE 80 Ca 0.18 -0.93 -0.09 0.00 0.00 0.00 0.00 60.65 59.81 1bxn s ILE 80 Cb -0.14 -1.09 0.00 0.00 0.01 0.00 0.00 42.46 41.24 1bxn s ILE 80 CO 0.07 0.15 0.19 0.00 0.00 0.00 0.00 174.94 175.34 1bxn s ARG 81 N -0.90 0.68 -0.15 2.79 1.70 -0.20 -1.18 118.95 121.69 1bxn s ARG 81 Ca 0.04 -0.65 -0.06 0.00 -0.47 0.00 0.00 55.73 54.59 1bxn s ARG 81 Cb -0.07 0.28 -0.04 0.00 -0.57 0.00 0.00 34.95 34.55 1bxn s ARG 81 CO 0.01 -0.20 0.05 0.08 -1.08 0.00 0.00 175.30 174.17 1bxn s VAL 82 N -2.59 4.74 -0.01 4.99 1.01 -1.01 -1.36 120.40 126.18 1bxn s VAL 82 Ca -0.05 -0.06 0.06 0.00 0.00 0.00 0.00 61.98 61.93 1bxn s VAL 82 Cb -0.01 -3.09 -0.02 0.00 0.00 0.00 0.00 36.38 33.26 1bxn s VAL 82 CO -0.04 0.52 -0.20 0.42 0.00 0.00 0.00 175.10 175.79 1bxn s THR 83 N -0.10 1.59 -0.16 3.92 -4.23 0.03 -2.82 115.64 113.87 1bxn s THR 83 Ca 0.06 -0.88 0.00 0.00 -1.18 0.00 0.00 61.69 59.70 1bxn s THR 83 Cb -0.12 -1.33 0.00 0.00 1.34 0.00 0.00 72.50 72.39 1bxn s THR 83 CO 0.01 0.44 -0.16 0.00 -0.54 0.00 0.00 174.62 174.37 1bxn s ALA 84 N -0.49 2.48 -0.11 3.99 0.00 -0.62 -0.65 121.76 126.36 1bxn s ALA 84 Ca 0.08 -1.07 -0.03 0.00 0.00 0.00 0.00 51.96 50.94 1bxn s ALA 84 Cb -0.08 -1.23 -0.03 0.00 0.00 0.00 0.00 23.12 21.78 1bxn s ALA 84 CO -0.01 -0.07 -0.00 -0.06 0.00 0.00 0.00 175.76 175.62 1bxn s PHE 85 N 0.88 3.14 -0.46 0.00 0.08 0.45 -0.53 117.98 121.53 1bxn s PHE 85 Ca -0.04 0.08 -0.18 0.00 0.12 0.00 0.00 56.93 56.91 1bxn s PHE 85 Cb -0.15 -1.85 0.05 0.00 -0.57 0.00 0.00 43.02 40.49 1bxn s PHE 85 CO -0.01 0.33 0.50 0.34 -0.10 0.00 0.00 175.22 176.28 1bxn s ASP 86 N -0.50 6.20 -1.06 1.36 -1.08 -0.32 -1.41 116.67 119.87 1bxn s ASP 86 Ca 0.09 -0.90 -0.19 0.00 -0.52 0.00 0.00 52.55 51.03 1bxn s ASP 86 Cb -0.12 -2.24 -0.08 0.00 -1.46 0.00 0.00 42.92 39.02 1bxn s ASP 86 CO 0.02 -0.72 2.04 -1.20 0.52 0.00 0.00 175.17 175.84 1bxn n SER 87 N 5.75 3.09 0.00 -0.34 7.64 -1.26 -1.34 113.62 127.16 1bxn n SER 87 Ca -0.08 -2.75 0.00 0.00 1.01 0.00 0.00 58.87 57.05 1bxn n SER 87 Cb 0.46 -1.35 0.00 0.00 -1.01 0.00 0.00 64.21 62.31 1bxn n SER 87 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1bxn n THR 88 N 5.68 0.00 -0.68 0.44 -2.24 -1.26 -4.89 114.28 111.33 1bxn n THR 88 Ca 0.50 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.28 1bxn n THR 88 Cb 0.40 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.63 1bxn n THR 88 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1bxn n HIS 89 N -0.62 0.00 -2.95 4.78 8.25 -1.19 -5.08 115.22 118.40 1bxn n HIS 89 Ca 0.00 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.35 1bxn n HIS 89 Cb 0.00 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.13 1bxn n HIS 89 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 1bxn n THR 90 N 0.00 -9.64 -3.96 1.59 -1.04 -0.45 -5.07 114.28 95.71 1bxn n THR 90 Ca 0.00 0.93 -0.08 0.00 -2.04 0.00 0.00 64.05 62.86 1bxn n THR 90 Cb 0.12 -6.39 -0.08 0.00 -1.82 0.00 0.00 70.33 62.16 1bxn n THR 90 CO 0.00 0.00 0.00 0.68 -0.64 0.00 0.00 175.07 175.11 1bxn s VAL 91 N -2.14 0.15 0.11 12.58 -7.23 -1.24 -4.95 120.40 117.68 1bxn s VAL 91 Ca 0.21 -1.44 -0.22 0.00 -1.81 0.00 0.00 61.98 58.72 1bxn s VAL 91 Cb -0.05 -1.52 -0.07 0.00 0.56 0.00 0.00 36.38 35.30 1bxn s VAL 91 CO 0.75 -0.68 0.66 -1.61 -0.31 0.00 0.00 175.10 173.92 1bxn s GLU 92 N -3.91 4.37 -0.06 4.82 8.01 -1.26 -1.17 118.70 129.50 1bxn s GLU 92 Ca 0.09 0.93 0.05 0.00 0.01 0.00 0.00 54.97 56.05 1bxn s GLU 92 Cb 0.06 -3.25 -0.07 0.00 -4.31 0.00 0.00 34.13 26.55 1bxn s GLU 92 CO -0.08 0.61 0.01 0.43 0.01 0.00 0.00 175.26 176.23 1bxn n SER 93 N 1.68 3.47 -3.79 -0.19 7.64 0.30 -4.93 113.62 117.79 1bxn n SER 93 Ca -0.08 -0.01 -0.13 0.00 1.01 0.00 0.00 58.87 59.67 1bxn n SER 93 Cb 0.50 0.54 -0.09 0.00 -1.01 0.00 0.00 64.21 64.14 1bxn n SER 93 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1bxn s VAL 94 N -2.15 0.06 -0.28 0.44 1.01 -1.25 -5.00 120.40 113.22 1bxn s VAL 94 Ca -0.04 -0.47 -0.08 0.00 0.00 0.00 0.00 61.98 61.39 1bxn s VAL 94 Cb 0.02 -0.53 0.13 0.00 0.00 0.00 0.00 36.38 36.00 1bxn s VAL 94 CO 0.24 -0.26 0.60 -0.69 0.00 0.00 0.00 175.10 174.99 1bxn s VAL 95 N -1.14 -0.94 0.04 2.92 1.01 -1.26 -1.59 120.40 119.44 1bxn s VAL 95 Ca -0.12 0.02 0.03 0.00 0.00 0.00 0.00 61.98 61.91 1bxn s VAL 95 Cb -0.05 -0.94 -0.02 0.00 0.00 0.00 0.00 36.38 35.36 1bxn s VAL 95 CO 0.03 0.01 -0.09 0.00 0.00 0.00 0.00 175.10 175.05 1bxn s MET 96 N 2.84 0.58 0.25 2.72 0.23 -1.13 -0.67 119.30 124.13 1bxn s MET 96 Ca -0.00 -0.69 -0.12 0.00 -1.03 0.00 0.00 55.69 53.86 1bxn s MET 96 Cb -0.13 -0.43 -0.08 0.00 -1.53 0.00 0.00 34.83 32.66 1bxn s MET 96 CO -0.18 0.09 0.60 -1.12 -2.03 0.00 0.00 175.02 172.38 1bxn s SER 97 N -1.32 6.69 0.00 -1.18 0.01 -1.26 -2.39 113.70 114.25 1bxn s SER 97 Ca -0.06 1.04 0.00 0.00 1.31 0.00 0.00 55.95 58.24 1bxn s SER 97 Cb -0.08 -2.27 0.00 0.00 0.21 0.00 0.00 66.02 63.87 1bxn s SER 97 CO 0.01 -0.09 0.00 0.49 0.41 0.00 0.00 173.24 174.05 1bxn n PHE 98 N -0.10 0.00 -3.22 2.43 0.99 -0.32 -4.79 117.46 112.44 1bxn n PHE 98 Ca 0.01 0.00 -0.39 0.00 -0.00 0.00 0.00 57.45 57.07 1bxn n PHE 98 Cb 0.53 0.00 -0.06 0.00 -1.00 0.00 0.00 39.48 38.95 1bxn n PHE 98 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.76 177.18 1bxn s ILE 99 N 0.00 4.88 0.04 4.37 -1.09 -1.25 -4.91 121.20 123.24 1bxn s ILE 99 Ca 0.00 1.23 0.09 0.00 -2.23 0.00 0.00 60.65 59.74 1bxn s ILE 99 Cb 0.00 -3.92 -0.03 0.00 -1.58 0.00 0.00 42.46 36.93 1bxn s ILE 99 CO 0.00 0.45 -0.26 0.68 -1.23 0.00 0.00 174.94 174.58 1bxn s VAL 100 N -0.38 2.08 0.83 2.92 -7.23 -1.25 -1.36 120.40 116.01 1bxn s VAL 100 Ca 0.30 -1.34 -0.15 0.00 -1.81 0.00 0.00 61.98 58.99 1bxn s VAL 100 Cb -0.18 -1.78 -0.02 0.00 0.56 0.00 0.00 36.38 34.96 1bxn s VAL 100 CO 0.17 0.38 0.37 -3.20 -0.31 0.00 0.00 175.10 172.51 1bxn n ASN 101 N 1.86 -1.94 -4.71 4.85 5.15 -1.21 -4.72 115.26 114.55 1bxn n ASN 101 Ca -0.17 0.46 -0.62 0.00 -0.60 0.00 0.00 54.58 53.66 1bxn n ASN 101 Cb 0.52 -1.17 -0.08 0.00 -0.53 0.00 0.00 39.78 38.51 1bxn n ASN 101 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1bxn n ARG 102 N -0.82 0.65 -2.77 1.20 1.74 -1.26 -2.23 116.66 113.17 1bxn n ARG 102 Ca 0.08 0.24 -0.01 0.00 -0.77 0.00 0.00 57.85 57.38 1bxn n ARG 102 Cb 0.52 -1.85 -0.00 0.00 -1.02 0.00 0.00 32.46 30.10 1bxn n ARG 102 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 1bxn n PRO 103 N 4.98 -1.00 -2.86 5.56 -0.02 -1.26 -2.45 135.00 137.95 1bxn n PRO 103 Ca 0.30 -0.08 -0.03 0.00 -2.02 0.00 0.00 63.50 61.67 1bxn n PRO 103 Cb 0.05 0.01 0.00 0.00 -0.02 0.00 0.00 33.50 33.54 1bxn n PRO 103 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1bxn n ALA 104 N -1.14 -1.19 0.00 3.55 0.00 -0.95 -4.62 120.51 116.17 1bxn n ALA 104 Ca -0.01 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.39 1bxn n ALA 104 Cb 0.03 -0.11 0.00 0.00 0.00 0.00 0.00 19.45 19.37 1bxn n ALA 104 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1bxn n ASP 105 N 0.26 0.00 -3.18 0.00 10.43 -1.03 -2.88 116.55 120.15 1bxn n ASP 105 Ca -0.03 0.00 -0.06 0.00 2.57 0.00 0.00 54.79 57.27 1bxn n ASP 105 Cb 0.07 0.00 -0.03 0.00 1.84 0.00 0.00 41.12 43.00 1bxn n ASP 105 CO 0.00 0.00 0.00 -1.61 -1.07 0.00 0.00 177.20 174.52 1bxn s GLU 106 N -0.19 0.82 0.31 -1.24 2.02 -1.26 -4.98 118.70 114.17 1bxn s GLU 106 Ca 0.00 -0.64 0.23 0.00 0.02 0.00 0.00 54.97 54.58 1bxn s GLU 106 Cb 0.00 -0.21 1.12 0.00 0.10 0.00 0.00 34.13 35.14 1bxn s GLU 106 CO 0.00 -1.22 1.71 -2.30 0.02 0.00 0.00 175.26 173.46 1bxn n PRO 107 N 4.05 0.17 -2.11 0.39 -0.02 -1.14 -3.11 135.00 133.24 1bxn n PRO 107 Ca 0.13 0.55 -0.42 0.00 -2.02 0.00 0.00 63.50 61.74 1bxn n PRO 107 Cb 0.53 -1.94 0.00 0.00 -0.02 0.00 0.00 33.50 32.07 1bxn n PRO 107 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1bxn n GLY 108 N -0.70 4.59 3.35 -1.23 0.00 -1.26 -4.87 105.19 105.07 1bxn n GLY 108 Ca 0.00 -1.90 -0.38 0.00 0.00 0.00 0.00 46.02 43.75 1bxn n GLY 108 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1bxn n PHE 109 N 4.78 -1.89 -2.34 1.61 3.01 -1.18 -4.82 117.46 116.64 1bxn n PHE 109 Ca 0.44 0.39 -0.43 0.00 1.01 0.00 0.00 57.45 58.87 1bxn n PHE 109 Cb 0.37 -1.81 -0.02 0.00 -0.01 0.00 0.00 39.48 38.01 1bxn n PHE 109 CO 0.00 0.00 0.00 -0.98 1.01 0.00 0.00 176.76 176.79 1bxn s ARG 110 N -1.81 4.25 -0.38 -1.08 1.70 -0.08 -4.79 118.95 116.75 1bxn s ARG 110 Ca 0.61 1.79 -0.20 0.00 -0.47 0.00 0.00 55.73 57.46 1bxn s ARG 110 Cb -0.42 -3.75 0.01 0.00 -0.57 0.00 0.00 34.95 30.22 1bxn s ARG 110 CO 0.62 -0.67 0.63 -1.17 -1.08 0.00 0.00 175.30 173.63 1bxn s LEU 111 N 3.26 4.32 0.02 -1.89 2.96 -1.26 -1.67 118.68 124.43 1bxn s LEU 111 Ca 0.59 0.00 -0.21 0.00 -0.22 0.00 0.00 54.13 54.29 1bxn s LEU 111 Cb -0.25 -2.76 -0.06 0.00 0.50 0.00 0.00 46.19 43.62 1bxn s LEU 111 CO 0.20 -0.64 0.62 -0.69 -1.32 0.00 0.00 176.35 174.52 1bxn s VAL 112 N 2.74 4.84 -0.44 1.68 1.01 0.57 -4.91 120.40 125.89 1bxn s VAL 112 Ca 0.24 1.32 0.03 0.00 0.00 0.00 0.00 61.98 63.57 1bxn s VAL 112 Cb -0.14 -3.96 0.12 0.00 0.00 0.00 0.00 36.38 32.39 1bxn s VAL 112 CO 0.16 0.43 0.18 -0.13 0.00 0.00 0.00 175.10 175.74 1bxn s ARG 113 N -0.32 1.65 -0.09 2.72 0.52 -1.26 -1.39 118.95 120.78 1bxn s ARG 113 Ca 0.32 -2.21 -0.28 0.00 -0.52 0.00 0.00 55.73 53.05 1bxn s ARG 113 Cb -0.19 -3.08 -0.02 0.00 0.52 0.00 0.00 34.95 32.18 1bxn s ARG 113 CO 0.19 -1.05 0.92 -1.14 0.02 0.00 0.00 175.30 174.23 1bxn s GLN 114 N 0.30 4.43 -0.63 3.54 0.74 -0.12 -4.87 119.66 123.04 1bxn s GLN 114 Ca 0.15 1.24 -0.26 0.00 0.05 0.00 0.00 55.36 56.54 1bxn s GLN 114 Cb -0.23 -3.52 0.04 0.00 1.10 0.00 0.00 33.01 30.40 1bxn s GLN 114 CO -0.04 -0.20 1.10 -1.21 -0.55 0.00 0.00 175.29 174.39 1bxn s GLU 115 N 1.64 3.29 0.80 1.67 2.02 -1.26 -0.41 118.70 126.46 1bxn s GLU 115 Ca 0.45 -0.25 -0.10 0.00 0.02 0.00 0.00 54.97 55.10 1bxn s GLU 115 Cb -0.18 -4.11 0.11 0.00 0.10 0.00 0.00 34.13 30.05 1bxn s GLU 115 CO 0.19 -1.79 1.14 -1.21 0.02 0.00 0.00 175.26 173.61 1bxn s GLU 116 N 4.73 1.63 0.47 1.61 0.41 -0.83 -4.99 118.70 121.72 1bxn s GLU 116 Ca 0.33 -0.32 -0.24 0.00 -0.41 0.00 0.00 54.97 54.33 1bxn s GLU 116 Cb -0.11 -2.05 -0.07 0.00 -1.78 0.00 0.00 34.13 30.12 1bxn s GLU 116 CO 0.18 -1.69 1.35 -1.25 -0.49 0.00 0.00 175.26 173.36 1bxn s PRO 117 N -5.50 3.57 2.42 0.39 0.04 -1.26 -4.42 135.00 130.24 1bxn s PRO 117 Ca 0.65 2.24 0.00 0.00 0.04 0.00 0.00 61.00 63.93 1bxn s PRO 117 Cb -0.08 -2.52 0.00 0.00 0.04 0.00 0.00 34.50 31.94 1bxn s PRO 117 CO 0.48 -0.85 0.00 0.41 0.04 0.00 0.00 177.00 177.08 1bxn n GLY 118 N 0.63 0.22 0.86 0.56 0.00 -1.26 -3.73 105.19 102.47 1bxn n GLY 118 Ca 0.07 -1.24 0.07 0.00 0.00 0.00 0.00 46.02 44.92 1bxn n GLY 118 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1bxn n ARG 119 N 4.69 3.01 -2.66 1.61 3.00 -1.26 -5.00 116.66 120.06 1bxn n ARG 119 Ca 0.00 -2.46 -0.38 0.00 -0.00 0.00 0.00 57.85 55.01 1bxn n ARG 119 Cb 0.00 -1.57 -0.05 0.00 0.00 0.00 0.00 32.46 30.84 1bxn n ARG 119 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.63 178.62 1bxn s THR 120 N -1.79 3.93 0.04 5.15 2.01 -1.24 -5.00 115.64 118.74 1bxn s THR 120 Ca 0.34 1.64 0.08 0.00 0.31 0.00 0.00 61.69 64.06 1bxn s THR 120 Cb 0.23 -3.93 -0.02 0.00 0.01 0.00 0.00 72.50 68.79 1bxn s THR 120 CO 0.14 0.16 -0.22 -0.76 -0.69 0.00 0.00 174.62 173.26 1bxn s LEU 121 N -2.07 2.15 -0.42 4.42 1.43 -1.26 -1.97 118.68 120.96 1bxn s LEU 121 Ca 0.51 -0.52 -0.06 0.00 -1.03 0.00 0.00 54.13 53.03 1bxn s LEU 121 Cb -0.22 -1.07 0.10 0.00 0.03 0.00 0.00 46.19 45.03 1bxn s LEU 121 CO 0.28 0.20 0.24 -0.60 0.23 0.00 0.00 176.35 176.70 1bxn s ARG 122 N -1.10 2.33 0.57 1.70 6.06 0.45 -4.92 118.95 124.04 1bxn s ARG 122 Ca 0.09 -1.66 -0.10 0.00 -2.50 0.00 0.00 55.73 51.55 1bxn s ARG 122 Cb -0.09 -3.69 -0.04 0.00 0.06 0.00 0.00 34.95 31.18 1bxn s ARG 122 CO 0.01 -1.03 0.96 0.71 -2.50 0.00 0.00 175.30 173.45 1bxn s TYR 123 N 1.29 3.59 -0.25 5.12 1.51 -1.26 -0.95 117.35 126.40 1bxn s TYR 123 Ca 0.05 1.20 -0.02 0.00 -1.01 0.00 0.00 57.07 57.29 1bxn s TYR 123 Cb -0.23 -2.63 0.13 0.00 -0.11 0.00 0.00 41.96 39.12 1bxn s TYR 123 CO -0.01 -0.54 0.33 -1.12 -1.11 0.00 0.00 175.55 173.09 1bxn s SER 124 N -3.99 0.86 -0.08 2.29 0.01 -0.49 -4.94 113.70 107.36 1bxn s SER 124 Ca 0.54 -0.19 -0.24 0.00 1.31 0.00 0.00 55.95 57.36 1bxn s SER 124 Cb -0.11 0.80 -0.03 0.00 0.21 0.00 0.00 66.02 66.89 1bxn s SER 124 CO 0.48 -0.33 0.73 -0.63 0.41 0.00 0.00 173.24 173.90 1bxn s ILE 125 N 2.45 5.01 -0.05 1.44 1.01 -1.26 -0.31 121.20 129.49 1bxn s ILE 125 Ca 0.10 1.50 -0.02 0.00 0.00 0.00 0.00 60.65 62.23 1bxn s ILE 125 Cb -0.15 -4.07 0.03 0.00 0.01 0.00 0.00 42.46 38.29 1bxn s ILE 125 CO -0.21 0.21 0.11 -0.70 0.00 0.00 0.00 174.94 174.35 1bxn s GLU 126 N 1.01 0.06 0.80 2.79 2.12 -0.67 -4.97 118.70 119.83 1bxn s GLU 126 Ca 0.38 0.29 -0.12 0.00 0.36 0.00 0.00 54.97 55.88 1bxn s GLU 126 Cb -0.18 -0.17 0.08 0.00 0.26 0.00 0.00 34.13 34.12 1bxn s GLU 126 CO 0.18 -0.15 1.14 -1.12 -0.54 0.00 0.00 175.26 174.78 1bxn s SER 127 N 1.00 3.95 -0.00 -1.70 0.01 -1.26 -0.90 113.70 114.79 1bxn s SER 127 Ca -0.08 2.11 0.00 0.00 1.31 0.00 0.00 55.95 59.30 1bxn s SER 127 Cb -0.10 -2.56 0.01 0.00 0.21 0.00 0.00 66.02 63.58 1bxn s SER 127 CO -0.04 -2.42 0.97 -1.22 0.41 0.00 0.00 173.24 170.94 1bxn n TYR 128 N -3.42 0.01 -1.61 2.43 4.02 -1.26 -4.78 117.16 112.55 1bxn n TYR 128 Ca 0.11 -0.01 0.00 0.00 -0.01 0.00 0.00 57.90 58.00 1bxn n TYR 128 Cb 0.52 -0.01 0.00 0.00 -0.02 0.00 0.00 39.34 39.83 1bxn n TYR 128 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85