#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 0.08 -0.21 0.03 3.52 -1.26 -4.90 118.95 116.21 1bxn s ARG 2 Ca 0.00 0.18 -0.29 0.00 -0.13 0.00 0.00 55.73 55.49 1bxn s ARG 2 Cb 0.00 0.09 -0.03 0.00 -1.56 0.00 0.00 34.95 33.45 1bxn s ARG 2 CO 0.00 -0.02 1.70 0.42 -0.81 0.00 0.00 175.30 176.58 1bxn s ILE 3 N 1.85 3.58 -0.54 4.11 1.09 -1.26 -4.87 121.20 125.17 1bxn s ILE 3 Ca -0.02 0.65 -0.01 0.00 -1.10 0.00 0.00 60.65 60.17 1bxn s ILE 3 Cb -0.02 -3.60 0.40 0.00 -1.06 0.00 0.00 42.46 38.18 1bxn s ILE 3 CO -0.15 -0.26 2.00 0.41 -0.10 0.00 0.00 174.94 176.85 1bxn n THR 4 N 6.49 3.31 -1.62 2.92 -1.04 -1.26 -4.76 114.28 118.32 1bxn n THR 4 Ca 0.20 -2.43 -0.32 0.00 -2.04 0.00 0.00 64.05 59.46 1bxn n THR 4 Cb 0.45 -1.14 -0.04 0.00 -1.82 0.00 0.00 70.33 67.78 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 -0.57 3.44 0.00 -2.82 7.27 -1.26 -4.88 117.38 118.57 1bxn n GLN 5 Ca 0.53 -2.65 0.00 0.00 0.07 0.00 0.00 57.00 54.95 1bxn n GLN 5 Cb 0.74 -2.41 0.00 0.00 2.41 0.00 0.00 30.24 30.97 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 1.74 1.41 3.76 1.69 0.00 -1.26 -4.79 105.19 107.74 1bxn n GLY 6 Ca 0.58 -0.56 -0.37 0.00 0.00 0.00 0.00 46.02 45.66 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 2.58 0.00 2.61 2.01 0.09 -2.48 115.64 118.45 1bxn s THR 7 Ca 0.00 0.43 0.00 0.00 0.31 0.00 0.00 61.69 62.43 1bxn s THR 7 Cb 0.00 -3.21 0.00 0.00 0.01 0.00 0.00 72.50 69.30 1bxn s THR 7 CO 0.00 -0.02 0.00 0.49 -0.69 0.00 0.00 174.62 174.40 1bxn n PHE 8 N -0.87 0.00 0.73 4.92 0.99 -1.26 -4.32 117.46 117.65 1bxn n PHE 8 Ca 0.09 0.00 0.07 0.00 -0.00 0.00 0.00 57.45 57.61 1bxn n PHE 8 Cb 0.47 -0.80 0.36 0.00 -1.00 0.00 0.00 39.48 38.51 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 -1.03 -1.24 113.62 122.41 1bxn n SER 9 Ca 0.00 -0.16 0.12 0.00 1.01 0.00 0.00 58.87 59.84 1bxn n SER 9 Cb 0.00 -0.14 0.19 0.00 -1.01 0.00 0.00 64.21 63.24 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 -1.14 0.15 -4.09 1.43 3.01 -1.26 -4.87 117.46 110.68 1bxn n PHE 10 Ca 0.08 -0.07 -0.24 0.00 1.01 0.00 0.00 57.45 58.23 1bxn n PHE 10 Cb 0.08 0.00 -0.07 0.00 -0.01 0.00 0.00 39.48 39.48 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 -1.84 3.19 0.81 4.37 1.43 -0.38 -5.11 118.68 121.15 1bxn s LEU 11 Ca 0.32 -0.91 -0.12 0.00 -1.03 0.00 0.00 54.13 52.40 1bxn s LEU 11 Cb 0.21 -1.61 0.08 0.00 0.03 0.00 0.00 46.19 44.90 1bxn s LEU 11 CO 0.31 -0.41 1.14 -2.16 0.23 0.00 0.00 176.35 175.46 1bxn s PRO 12 N -3.88 1.80 0.15 1.29 0.04 -1.26 -4.87 135.00 128.26 1bxn s PRO 12 Ca 0.39 1.48 -0.34 0.00 0.04 0.00 0.00 61.00 62.57 1bxn s PRO 12 Cb 0.00 -1.82 -0.15 0.00 0.04 0.00 0.00 34.50 32.57 1bxn s PRO 12 CO 0.23 -2.04 1.33 0.39 0.04 0.00 0.00 177.00 176.95 1bxn n GLU 13 N -3.50 1.45 -2.02 4.56 -0.58 -1.26 -4.90 120.64 114.40 1bxn n GLU 13 Ca 0.11 0.52 -0.37 0.00 -0.42 0.00 0.00 57.16 57.00 1bxn n GLU 13 Cb 0.52 -2.14 0.02 0.00 -0.57 0.00 0.00 31.44 29.27 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 0.55 3.83 0.24 -4.62 1.43 -1.26 -5.03 118.68 113.82 1bxn s LEU 14 Ca 0.77 2.48 -0.01 0.00 -1.03 0.00 0.00 54.13 56.35 1bxn s LEU 14 Cb -0.83 -4.39 -0.04 0.00 0.03 0.00 0.00 46.19 40.96 1bxn s LEU 14 CO 0.47 -1.38 0.44 0.42 0.23 0.00 0.00 176.35 176.53 1bxn s THR 15 N -1.49 5.17 0.56 5.49 -4.23 -1.26 -4.88 115.64 114.99 1bxn s THR 15 Ca 0.71 -0.35 0.31 0.00 -1.18 0.00 0.00 61.69 61.18 1bxn s THR 15 Cb -0.33 -3.76 0.45 0.00 1.34 0.00 0.00 72.50 70.20 1bxn s THR 15 CO 0.38 -0.26 1.87 0.44 -0.54 0.00 0.00 174.62 176.51 1bxn h ASP 16 N 1.72 0.00 -0.27 3.99 3.45 -1.98 0.42 116.42 123.74 1bxn h ASP 16 Ca -0.48 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 -0.15 -0.33 -1.57 0.00 0.00 179.24 177.85 1bxn h GLU 17 N 0.00 0.58 -0.31 3.56 3.07 -1.99 -1.00 114.58 118.49 1bxn h GLU 17 Ca 0.37 -0.26 -0.11 0.00 -0.50 0.00 0.00 59.36 58.86 1bxn h GLU 17 Cb 1.60 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 29.49 1bxn h GLU 17 CO -0.00 0.84 -0.22 1.96 -1.40 0.00 0.00 179.01 180.18 1bxn h GLN 18 N 0.31 0.69 -0.32 2.33 4.20 -0.68 -2.76 115.11 118.89 1bxn h GLN 18 Ca 0.06 -0.33 0.03 0.00 0.06 0.00 0.00 58.65 58.46 1bxn h GLN 18 Cb 0.67 -0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.42 1bxn h GLN 18 CO 0.04 0.94 0.14 0.82 -0.67 0.00 0.00 178.83 180.11 1bxn h ILE 19 N 0.45 0.96 -1.00 2.54 2.04 -0.80 -1.60 117.51 120.10 1bxn h ILE 19 Ca 0.06 -0.10 0.07 0.00 1.00 0.00 0.00 64.86 65.88 1bxn h ILE 19 Cb 0.77 0.63 -0.07 0.00 -0.74 0.00 0.00 36.82 37.41 1bxn h ILE 19 CO 0.06 0.06 0.65 0.71 0.00 0.00 0.00 178.15 179.62 1bxn h THR 20 N 0.30 1.09 -0.35 -0.27 1.35 -1.15 0.19 112.91 114.07 1bxn h THR 20 Ca 0.14 -0.40 0.01 0.00 -0.55 0.00 0.00 66.41 65.60 1bxn h THR 20 Cb 0.07 -0.19 -0.02 0.00 -1.73 0.00 0.00 68.15 66.28 1bxn h THR 20 CO -0.11 0.21 0.21 0.11 -0.25 0.00 0.00 175.52 175.70 1bxn h LYS 21 N 1.18 0.43 -0.15 4.72 1.57 -1.03 0.89 116.57 124.16 1bxn h LYS 21 Ca 0.43 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 59.18 1bxn h LYS 21 Cb 0.17 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 1bxn h LYS 21 CO -0.17 0.28 0.06 1.96 -0.57 0.00 0.00 179.45 181.01 1bxn h GLN 22 N 0.44 0.22 -0.83 3.15 1.08 -0.37 -1.31 115.11 117.49 1bxn h GLN 22 Ca 0.13 -0.04 0.13 0.00 -1.45 0.00 0.00 58.65 57.43 1bxn h GLN 22 Cb -0.02 -0.04 -0.09 0.00 -0.05 0.00 0.00 27.48 27.28 1bxn h GLN 22 CO -0.05 0.31 0.43 -0.07 -0.95 0.00 0.00 178.83 178.51 1bxn h LEU 23 N 0.09 0.54 -0.27 1.46 3.38 -0.26 0.13 115.31 120.37 1bxn h LEU 23 Ca 0.05 0.08 -0.00 0.00 0.09 0.00 0.00 57.88 58.10 1bxn h LEU 23 Cb 0.17 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 1bxn h LEU 23 CO -0.00 0.25 0.15 -0.33 0.09 0.00 0.00 178.44 178.60 1bxn h GLU 24 N 0.64 0.37 -0.47 1.13 5.08 -0.39 -0.44 114.58 120.49 1bxn h GLU 24 Ca 0.44 -0.04 0.10 0.00 -1.00 0.00 0.00 59.36 58.86 1bxn h GLU 24 Cb 0.59 -0.07 -0.09 0.00 0.50 0.00 0.00 28.75 29.67 1bxn h GLU 24 CO -0.34 0.30 -0.15 -0.92 -1.00 0.00 0.00 179.01 176.91 1bxn h TYR 25 N 0.33 -0.33 0.53 4.33 3.20 0.35 0.68 116.97 126.06 1bxn h TYR 25 Ca 0.09 0.05 -0.03 0.00 3.14 0.00 0.00 58.73 61.98 1bxn h TYR 25 Cb 0.04 0.22 0.01 0.00 1.54 0.00 0.00 36.73 38.53 1bxn h TYR 25 CO -0.04 -0.23 -0.25 0.00 -1.64 0.00 0.00 178.16 175.99 1bxn h LEU 27 N -0.73 0.43 -1.02 0.00 3.38 -0.10 0.19 115.31 117.45 1bxn h LEU 27 Ca -0.07 0.01 -0.10 0.00 0.09 0.00 0.00 57.88 57.81 1bxn h LEU 27 Cb 0.55 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 1bxn h LEU 27 CO 0.12 0.26 -0.35 0.78 0.09 0.00 0.00 178.44 179.35 1bxn h ASN 28 N 0.48 0.27 0.66 -0.43 -0.26 0.64 -0.91 115.58 116.03 1bxn h ASN 28 Ca 0.28 -0.10 0.00 0.00 -0.56 0.00 0.00 56.30 55.92 1bxn h ASN 28 Cb 0.46 -0.07 0.00 0.00 -1.06 0.00 0.00 38.32 37.65 1bxn h ASN 28 CO -0.08 0.60 -0.15 0.00 -1.06 0.00 0.00 177.43 176.74 1bxn n GLN 29 N -4.08 0.23 -2.45 0.81 1.13 0.50 -4.93 117.38 108.59 1bxn n GLN 29 Ca -0.01 -0.07 -0.02 0.00 -1.94 0.00 0.00 57.00 54.96 1bxn n GLN 29 Cb 0.43 -1.50 0.01 0.00 0.11 0.00 0.00 30.24 29.29 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 1.42 0.66 3.85 1.08 0.00 -0.27 -5.04 105.19 106.89 1bxn n GLY 30 Ca 0.09 -0.65 -0.37 0.00 0.00 0.00 0.00 46.02 45.10 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 -2.77 3.62 0.11 1.61 0.51 -0.72 -4.60 118.94 116.70 1bxn s TRP 31 Ca 0.04 0.65 -0.30 0.00 -2.12 0.00 0.00 56.10 54.36 1bxn s TRP 31 Cb -0.02 -2.06 -0.06 0.00 -0.81 0.00 0.00 33.47 30.52 1bxn s TRP 31 CO 0.05 0.67 1.16 0.00 -0.51 0.00 0.00 176.95 178.32 1bxn s ALA 32 N -0.90 3.38 -0.12 0.98 0.00 -0.48 -4.41 121.76 120.22 1bxn s ALA 32 Ca 0.17 0.84 -0.02 0.00 0.00 0.00 0.00 51.96 52.95 1bxn s ALA 32 Cb -0.13 -3.41 -0.03 0.00 0.00 0.00 0.00 23.12 19.55 1bxn s ALA 32 CO 0.06 -0.35 -0.05 0.08 0.00 0.00 0.00 175.76 175.51 1bxn s VAL 33 N 0.49 3.84 0.13 0.00 1.01 -1.21 -0.32 120.40 124.34 1bxn s VAL 33 Ca 0.55 -0.40 0.05 0.00 0.00 0.00 0.00 61.98 62.18 1bxn s VAL 33 Cb -0.30 -2.64 -0.04 0.00 0.00 0.00 0.00 36.38 33.41 1bxn s VAL 33 CO 0.32 0.54 -0.12 -0.83 0.00 0.00 0.00 175.10 175.01 1bxn s GLY 34 N -0.14 1.05 -0.06 4.51 0.00 0.33 -0.12 107.32 112.89 1bxn s GLY 34 Ca 0.03 -1.33 0.04 0.00 0.00 0.00 0.00 44.72 43.45 1bxn s GLY 34 CO 0.03 -1.40 -0.17 1.08 0.00 0.00 0.00 173.10 172.63 1bxn s LEU 35 N -2.64 2.54 0.07 0.66 1.43 -1.26 -0.63 118.68 118.85 1bxn s LEU 35 Ca 0.10 -0.30 0.00 0.00 -1.03 0.00 0.00 54.13 52.91 1bxn s LEU 35 Cb -0.03 -1.51 -0.04 0.00 0.03 0.00 0.00 46.19 44.64 1bxn s LEU 35 CO 0.02 0.30 -0.05 -1.61 0.23 0.00 0.00 176.35 175.25 1bxn s GLU 36 N -0.46 0.71 -0.03 1.70 2.02 -0.48 -0.94 118.70 121.21 1bxn s GLU 36 Ca 0.06 -1.27 -0.23 0.00 0.02 0.00 0.00 54.97 53.54 1bxn s GLU 36 Cb -0.12 0.02 0.05 0.00 0.10 0.00 0.00 34.13 34.18 1bxn s GLU 36 CO 0.02 -0.07 0.51 1.52 0.02 0.00 0.00 175.26 177.25 1bxn s TYR 37 N -3.79 -0.43 0.09 1.61 -0.85 0.51 -1.07 117.35 113.42 1bxn s TYR 37 Ca 0.09 0.71 -0.25 0.00 -0.52 0.00 0.00 57.07 57.10 1bxn s TYR 37 Cb 0.07 0.26 0.08 0.00 0.38 0.00 0.00 41.96 42.75 1bxn s TYR 37 CO -0.08 -0.51 0.74 0.99 -1.52 0.00 0.00 175.55 175.18 1bxn s THR 38 N -1.29 0.00 -0.65 -3.49 2.01 -0.81 -0.76 115.64 110.65 1bxn s THR 38 Ca -0.12 -0.07 0.17 0.00 0.31 0.00 0.00 61.69 61.98 1bxn s THR 38 Cb -0.02 -1.08 -0.20 0.00 0.01 0.00 0.00 72.50 71.21 1bxn s THR 38 CO 0.07 0.00 0.65 -0.90 -0.69 0.00 0.00 174.62 173.75 1bxn n ASP 39 N -0.33 0.84 -4.18 3.53 5.75 -1.26 -1.14 116.55 119.76 1bxn n ASP 39 Ca -0.12 -0.73 -0.40 0.00 -0.01 0.00 0.00 54.79 53.53 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 -2.83 5.98 -0.10 -1.12 3.68 -1.26 -4.92 116.67 116.10 1bxn s ASP 40 Ca 0.04 -3.12 -0.04 0.00 2.13 0.00 0.00 52.55 51.56 1bxn s ASP 40 Cb 0.12 -1.98 -0.10 0.00 -1.45 0.00 0.00 42.92 39.51 1bxn s ASP 40 CO 0.69 -0.36 2.90 -0.81 0.13 0.00 0.00 175.17 177.72 1bxn n PRO 41 N 3.21 1.77 -1.95 4.34 -0.04 -1.26 -4.88 135.00 136.20 1bxn n PRO 41 Ca 0.14 -0.99 -0.42 0.00 -0.04 0.00 0.00 63.50 62.20 1bxn n PRO 41 Cb 0.40 -1.71 -0.02 0.00 -0.04 0.00 0.00 33.50 32.12 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 0.04 3.00 -0.23 0.54 2.46 -1.26 -4.83 115.29 115.00 1bxn s HIS 42 Ca 0.44 0.83 -0.35 0.00 0.47 0.00 0.00 55.06 56.45 1bxn s HIS 42 Cb 0.24 -3.90 -0.12 0.00 -0.13 0.00 0.00 32.58 28.67 1bxn s HIS 42 CO -0.03 -3.10 2.00 -2.30 -2.47 0.00 0.00 174.74 168.84 1bxn n PRO 43 N 2.94 1.59 -2.39 2.88 -0.02 -1.26 -0.52 135.00 138.22 1bxn n PRO 43 Ca 0.10 0.53 -0.04 0.00 -2.02 0.00 0.00 63.50 62.07 1bxn n PRO 43 Cb 0.39 -2.54 0.02 0.00 -0.02 0.00 0.00 33.50 31.35 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 7.19 -1.47 -2.98 -0.52 5.12 -1.26 -4.96 116.66 117.79 1bxn n ARG 44 Ca 0.31 0.18 -0.39 0.00 -1.93 0.00 0.00 57.85 56.01 1bxn n ARG 44 Cb 0.26 -3.22 -0.00 0.00 -1.16 0.00 0.00 32.46 28.33 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 -1.07 6.16 -4.67 0.55 4.05 0.33 -5.03 115.26 115.57 1bxn n ASN 45 Ca -0.05 -3.50 -0.32 0.00 0.45 0.00 0.00 54.58 51.16 1bxn n ASN 45 Cb 0.53 -1.12 0.15 0.00 1.23 0.00 0.00 39.78 40.57 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 0.85 0.68 -1.85 -0.44 -1.04 -1.26 -4.20 114.28 107.01 1bxn n THR 46 Ca 0.31 -0.07 -0.03 0.00 -2.04 0.00 0.00 64.05 62.22 1bxn n THR 46 Cb 0.33 -1.06 0.01 0.00 -1.82 0.00 0.00 70.33 67.80 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 -3.93 -0.51 -1.50 -1.42 4.01 -1.26 -5.06 117.16 107.49 1bxn n TYR 47 Ca 0.12 0.18 -0.29 0.00 -0.16 0.00 0.00 57.90 57.75 1bxn n TYR 47 Cb 0.51 -2.75 0.17 0.00 -0.31 0.00 0.00 39.34 36.97 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 -3.07 1.77 -0.00 -0.72 0.52 -1.26 -4.98 118.94 111.20 1bxn s TRP 48 Ca 0.08 0.64 -0.28 0.00 0.02 0.00 0.00 56.10 56.56 1bxn s TRP 48 Cb -0.01 -3.57 -0.04 0.00 -1.15 0.00 0.00 33.47 28.70 1bxn s TRP 48 CO 0.15 -2.83 0.89 -1.21 0.02 0.00 0.00 176.95 173.96 1bxn s GLU 49 N -5.45 4.53 0.06 4.98 8.01 0.07 -4.80 118.70 126.11 1bxn s GLU 49 Ca 0.68 1.25 -0.31 0.00 0.01 0.00 0.00 54.97 56.60 1bxn s GLU 49 Cb -0.11 -3.44 -0.06 0.00 -4.31 0.00 0.00 34.13 26.21 1bxn s GLU 49 CO 0.54 0.03 1.20 -1.64 0.01 0.00 0.00 175.26 175.40 1bxn s MET 50 N 0.78 4.43 -0.92 1.61 -1.94 -1.26 -0.37 119.30 121.63 1bxn s MET 50 Ca 0.47 1.77 -0.08 0.00 -1.71 0.00 0.00 55.69 56.13 1bxn s MET 50 Cb -0.20 -3.35 0.23 0.00 2.01 0.00 0.00 34.83 33.52 1bxn s MET 50 CO 0.25 -0.26 0.85 0.12 -0.01 0.00 0.00 175.02 175.98 1bxn s PHE 51 N 1.06 3.93 0.03 -0.03 5.36 -0.12 -4.94 117.98 123.27 1bxn s PHE 51 Ca 0.59 -2.59 0.00 0.00 -0.96 0.00 0.00 56.93 53.97 1bxn s PHE 51 Cb -0.29 -3.61 0.00 0.00 -0.34 0.00 0.00 43.02 38.78 1bxn s PHE 51 CO 0.29 -0.90 0.00 0.41 -1.46 0.00 0.00 175.22 173.57 1bxn n GLY 52 N 3.05 -2.70 3.76 13.12 0.00 -1.26 -4.48 105.19 116.68 1bxn n GLY 52 Ca 0.18 -1.40 -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 -3.97 3.37 0.24 0.99 1.43 -1.26 -4.66 118.68 114.82 1bxn s LEU 53 Ca 0.00 2.06 -0.31 0.00 -1.03 0.00 0.00 54.13 54.84 1bxn s LEU 53 Cb 0.00 -4.56 -0.12 0.00 0.03 0.00 0.00 46.19 41.54 1bxn s LEU 53 CO 0.00 -1.76 1.65 -2.65 0.23 0.00 0.00 176.35 173.82 1bxn n PRO 54 N -2.50 2.65 -2.28 1.29 -0.02 -1.26 -4.86 135.00 128.01 1bxn n PRO 54 Ca 0.11 0.95 -0.34 0.00 -2.02 0.00 0.00 63.50 62.20 1bxn n PRO 54 Cb 0.52 -2.76 -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 0.47 3.09 0.00 -0.52 -1.94 0.83 -4.85 119.30 116.39 1bxn s MET 55 Ca 0.71 -1.18 0.00 0.00 -1.71 0.00 0.00 55.69 53.51 1bxn s MET 55 Cb -0.53 -5.30 0.00 0.00 2.01 0.00 0.00 34.83 31.01 1bxn s MET 55 CO 0.39 -3.09 0.12 1.19 -0.01 0.00 0.00 175.02 173.63 1bxn n PHE 56 N 11.76 0.00 -1.99 -0.03 3.72 -1.26 -3.34 117.46 126.32 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 -0.13 7.43 -4.30 4.37 2.03 -1.26 -4.72 116.55 119.97 1bxn n ASP 57 Ca 0.00 -3.36 -0.46 0.00 0.52 0.00 0.00 54.79 51.49 1bxn n ASP 57 Cb 0.00 -1.25 -0.04 0.00 -0.72 0.00 0.00 41.12 39.11 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 -2.87 6.44 -0.10 -2.67 0.20 -1.26 -4.95 118.68 113.48 1bxn s LEU 58 Ca 0.52 -2.42 -0.03 0.00 0.69 0.00 0.00 54.13 52.88 1bxn s LEU 58 Cb 0.27 -2.17 -0.13 0.00 -0.43 0.00 0.00 46.19 43.72 1bxn s LEU 58 CO -0.18 -0.64 2.17 -2.11 -0.29 0.00 0.00 176.35 175.30 1bxn n ARG 59 N 4.33 1.18 -3.15 1.98 -4.01 -1.26 -4.51 116.66 111.22 1bxn n ARG 59 Ca 0.05 -0.64 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 28.02 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 2.57 -1.23 0.42 2.89 2.15 -1.26 -5.01 116.67 117.20 1bxn s ASP 60 Ca 0.36 0.10 0.16 0.00 0.43 0.00 0.00 52.55 53.60 1bxn s ASP 60 Cb 0.16 1.77 1.05 0.00 -0.30 0.00 0.00 42.92 45.61 1bxn s ASP 60 CO -0.00 -0.22 1.90 0.00 -0.17 0.00 0.00 175.17 176.68 1bxn h ALA 61 N 7.68 2.13 -0.94 3.66 0.00 -1.92 0.22 119.26 130.10 1bxn h ALA 61 Ca -0.03 0.00 0.04 0.00 0.00 0.00 0.00 54.91 54.92 1bxn h ALA 61 Cb 1.19 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.87 1bxn h ALA 61 CO 0.07 -0.36 0.62 0.00 0.00 0.00 0.00 179.25 179.58 1bxn h ALA 62 N 1.63 1.40 -0.56 0.00 0.00 -1.95 -0.88 119.26 118.91 1bxn h ALA 62 Ca 0.40 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.28 1bxn h ALA 62 Cb 0.94 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 1bxn h ALA 62 CO -0.14 0.51 0.35 0.78 0.00 0.00 0.00 179.25 180.75 1bxn h GLY 63 N 1.18 0.79 0.78 0.00 0.00 -1.34 -1.02 103.07 103.47 1bxn h GLY 63 Ca 0.38 -0.27 -0.01 0.00 0.00 0.00 0.00 47.33 47.43 1bxn h GLY 63 CO -0.12 0.24 0.01 -2.22 0.00 0.00 0.00 176.54 174.46 1bxn h ILE 64 N 0.71 1.21 -0.89 2.60 2.04 -1.39 -2.61 117.51 119.17 1bxn h ILE 64 Ca 0.22 -0.64 0.21 0.00 1.00 0.00 0.00 64.86 65.64 1bxn h ILE 64 Cb -0.02 1.50 -0.06 0.00 -0.74 0.00 0.00 36.82 37.49 1bxn h ILE 64 CO -0.08 0.18 0.60 0.25 0.00 0.00 0.00 178.15 179.10 1bxn h LEU 65 N -0.11 0.34 0.45 1.44 7.12 -0.79 0.33 115.31 124.10 1bxn h LEU 65 Ca 0.02 0.04 -0.02 0.00 0.13 0.00 0.00 57.88 58.05 1bxn h LEU 65 Cb 0.27 -0.03 0.00 0.00 -0.53 0.00 0.00 40.66 40.38 1bxn h LEU 65 CO 0.00 0.13 -0.22 -0.03 -0.13 0.00 0.00 178.44 178.20 1bxn h MET 66 N 0.34 -0.59 -0.71 1.25 4.05 -0.81 -2.32 114.93 116.14 1bxn h MET 66 Ca 0.46 0.04 0.10 0.00 -0.28 0.00 0.00 59.70 60.02 1bxn h MET 66 Cb 1.25 0.13 -0.05 0.00 -0.80 0.00 0.00 31.60 32.13 1bxn h MET 66 CO -0.15 -0.36 0.47 0.93 0.23 0.00 0.00 176.91 178.03 1bxn h GLU 67 N -0.67 0.56 0.72 0.39 4.39 -0.82 -0.09 114.58 119.07 1bxn h GLU 67 Ca -0.06 -0.03 -0.03 0.00 0.34 0.00 0.00 59.36 59.57 1bxn h GLU 67 Cb 0.50 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 29.02 1bxn h GLU 67 CO 0.10 0.37 -0.47 0.82 -1.16 0.00 0.00 179.01 178.68 1bxn h ILE 68 N 0.58 0.00 -0.92 3.13 2.04 -0.84 0.17 117.51 121.67 1bxn h ILE 68 Ca 0.33 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.27 1bxn h ILE 68 Cb 0.52 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 36.54 1bxn h ILE 68 CO -0.11 0.00 0.59 0.78 0.00 0.00 0.00 178.15 179.41 1bxn h ASN 69 N -1.12 0.89 -0.42 1.72 2.35 -0.87 0.52 115.58 118.64 1bxn h ASN 69 Ca -0.10 0.01 0.03 0.00 -0.55 0.00 0.00 56.30 55.70 1bxn h ASN 69 Cb 0.91 -0.17 -0.04 0.00 0.05 0.00 0.00 38.32 39.07 1bxn h ASN 69 CO 0.08 0.55 0.21 -1.13 -1.65 0.00 0.00 177.43 175.50 1bxn h ASN 70 N 1.00 0.31 -0.30 5.81 -0.00 -0.66 -1.81 115.58 119.92 1bxn h ASN 70 Ca 0.41 0.02 -0.01 0.00 -0.00 0.00 0.00 56.30 56.72 1bxn h ASN 70 Cb 0.28 -0.04 -0.01 0.00 -0.00 0.00 0.00 38.32 38.54 1bxn h ASN 70 CO -0.17 0.22 0.17 0.00 -0.00 0.00 0.00 177.43 177.65 1bxn h ALA 71 N 1.22 0.39 -0.85 1.57 0.00 0.14 -1.88 119.26 119.84 1bxn h ALA 71 Ca 0.18 -0.07 0.14 0.00 0.00 0.00 0.00 54.91 55.16 1bxn h ALA 71 Cb 0.08 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 17.69 1bxn h ALA 71 CO -0.12 -0.09 0.55 0.00 0.00 0.00 0.00 179.25 179.59 1bxn h ARG 72 N 0.37 0.63 -0.11 0.00 3.08 -0.64 0.36 114.38 118.08 1bxn h ARG 72 Ca 0.11 -0.04 -0.04 0.00 0.07 0.00 0.00 59.98 60.08 1bxn h ARG 72 Cb 0.06 -0.14 -0.00 0.00 0.08 0.00 0.00 29.97 29.96 1bxn h ARG 72 CO -0.02 0.42 -0.09 -0.91 -1.07 0.00 0.00 179.97 178.30 1bxn h ASN 73 N 0.65 0.26 -0.56 7.04 2.35 -0.78 -2.18 115.58 122.36 1bxn h ASN 73 Ca 0.42 -0.46 -0.10 0.00 -0.55 0.00 0.00 56.30 55.61 1bxn h ASN 73 Cb 0.70 -0.07 -0.02 0.00 0.05 0.00 0.00 38.32 38.97 1bxn h ASN 73 CO -0.18 0.67 -0.04 0.74 -1.65 0.00 0.00 177.43 176.97 1bxn h THR 74 N -0.14 1.27 -2.79 2.81 2.02 -0.53 -3.36 112.91 112.19 1bxn h THR 74 Ca 0.02 -1.19 -0.61 0.00 0.77 0.00 0.00 66.41 65.40 1bxn h THR 74 Cb 0.59 0.90 -0.41 0.00 -1.74 0.00 0.00 68.15 67.49 1bxn h THR 74 CO 0.02 0.43 -0.71 0.49 0.37 0.00 0.00 175.52 176.12 1bxn n PHE 75 N -4.19 1.96 -0.03 3.16 3.01 0.12 -4.94 117.46 116.55 1bxn n PHE 75 Ca 0.02 -3.99 -0.13 0.00 1.01 0.00 0.00 57.45 54.36 1bxn n PHE 75 Cb 0.37 -0.35 -0.10 0.00 -0.01 0.00 0.00 39.48 39.38 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 5.35 0.01 -2.44 -1.08 0.11 -1.55 -3.31 132.00 129.09 1bxn h PRO 76 Ca 0.19 -0.01 -0.49 0.00 0.11 0.00 0.00 66.00 65.80 1bxn h PRO 76 Cb 0.80 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 31.85 1bxn h PRO 76 CO 0.62 0.60 1.62 0.09 -0.21 0.00 0.00 178.00 180.71 1bxn n ASN 77 N -4.80 7.08 -3.85 -2.05 4.13 -1.26 -4.61 115.26 109.91 1bxn n ASN 77 Ca -0.09 -2.73 -0.09 0.00 1.68 0.00 0.00 54.58 53.35 1bxn n ASN 77 Cb 0.30 -1.43 -0.06 0.00 -1.54 0.00 0.00 39.78 37.05 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 0.62 0.16 -0.10 3.10 3.76 -1.25 -4.85 115.29 116.73 1bxn s HIS 78 Ca 0.65 -0.54 -0.12 0.00 -0.15 0.00 0.00 55.06 54.90 1bxn s HIS 78 Cb 0.26 0.04 -0.05 0.00 1.11 0.00 0.00 32.58 33.94 1bxn s HIS 78 CO -0.07 -0.68 0.28 0.71 -0.85 0.00 0.00 174.74 174.13 1bxn s TYR 79 N -3.89 3.58 0.03 1.40 1.51 -0.29 -3.26 117.35 116.42 1bxn s TYR 79 Ca 0.10 0.69 0.05 0.00 -1.01 0.00 0.00 57.07 56.90 1bxn s TYR 79 Cb 0.03 -2.21 -0.02 0.00 -0.11 0.00 0.00 41.96 39.65 1bxn s TYR 79 CO -0.06 0.51 -0.15 0.42 -1.11 0.00 0.00 175.55 175.15 1bxn s ILE 80 N -0.43 1.21 0.04 2.71 1.01 -0.45 -1.93 121.20 123.37 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 -1.07 0.00 0.00 0.01 0.00 0.00 42.46 41.27 1bxn s ILE 80 CO 0.07 0.12 0.18 0.00 0.00 0.00 0.00 174.94 175.31 1bxn s ARG 81 N -0.93 0.68 -0.16 2.79 1.70 -0.23 -1.23 118.95 121.57 1bxn s ARG 81 Ca 0.04 -0.66 -0.06 0.00 -0.47 0.00 0.00 55.73 54.57 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 -0.19 0.06 0.08 -1.08 0.00 0.00 175.30 174.17 1bxn s VAL 82 N -2.62 4.75 -0.02 4.99 1.01 -0.99 -1.38 120.40 126.14 1bxn s VAL 82 Ca -0.05 -0.06 0.06 0.00 0.00 0.00 0.00 61.98 61.94 1bxn s VAL 82 Cb -0.01 -3.11 -0.02 0.00 0.00 0.00 0.00 36.38 33.25 1bxn s VAL 82 CO -0.04 0.50 -0.21 0.42 0.00 0.00 0.00 175.10 175.77 1bxn s THR 83 N 0.04 1.68 -0.16 3.92 -4.23 0.20 -2.81 115.64 114.28 1bxn s THR 83 Ca 0.05 -0.91 -0.00 0.00 -1.18 0.00 0.00 61.69 59.66 1bxn s THR 83 Cb -0.12 -1.40 -0.00 0.00 1.34 0.00 0.00 72.50 72.32 1bxn s THR 83 CO 0.01 0.48 -0.15 0.00 -0.54 0.00 0.00 174.62 174.42 1bxn s ALA 84 N -0.47 2.52 -0.11 3.99 0.00 -0.66 -0.51 121.76 126.52 1bxn s ALA 84 Ca 0.07 -1.06 -0.03 0.00 0.00 0.00 0.00 51.96 50.95 1bxn s ALA 84 Cb -0.09 -1.26 -0.03 0.00 0.00 0.00 0.00 23.12 21.74 1bxn s ALA 84 CO -0.01 -0.07 -0.00 -0.06 0.00 0.00 0.00 175.76 175.63 1bxn s PHE 85 N 0.87 3.14 -0.46 0.00 0.08 0.57 -0.68 117.98 121.49 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 0.04 0.00 -0.57 0.00 0.00 43.02 40.49 1bxn s PHE 85 CO -0.01 0.33 0.49 0.34 -0.10 0.00 0.00 175.22 176.28 1bxn s ASP 86 N -0.50 6.20 -1.08 1.36 -1.08 -0.36 -1.38 116.67 119.83 1bxn s ASP 86 Ca 0.09 -0.89 -0.18 0.00 -0.52 0.00 0.00 52.55 51.04 1bxn s ASP 86 Cb -0.12 -2.24 -0.07 0.00 -1.46 0.00 0.00 42.92 39.03 1bxn s ASP 86 CO 0.02 -0.70 2.06 -1.20 0.52 0.00 0.00 175.17 175.87 1bxn n SER 87 N 5.71 3.13 0.00 -0.34 7.64 -1.26 -1.37 113.62 127.13 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 -1.36 0.00 0.00 -1.01 0.00 0.00 64.21 62.30 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 5.61 0.00 -0.67 0.44 -2.24 -1.26 -4.89 114.28 111.27 1bxn n THR 88 Ca 0.51 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.29 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 -2.96 4.78 8.25 -1.19 -5.08 115.22 118.40 1bxn n HIS 89 Ca 0.00 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.34 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 -9.63 -3.95 1.59 -1.04 -0.47 -5.07 114.28 95.71 1bxn n THR 90 Ca 0.00 0.91 -0.08 0.00 -2.04 0.00 0.00 64.05 62.84 1bxn n THR 90 Cb 0.11 -6.39 -0.08 0.00 -1.82 0.00 0.00 70.33 62.15 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 -2.16 0.16 0.12 12.58 -7.23 -1.24 -4.95 120.40 117.68 1bxn s VAL 91 Ca 0.22 -1.43 -0.23 0.00 -1.81 0.00 0.00 61.98 58.73 1bxn s VAL 91 Cb -0.05 -1.46 -0.07 0.00 0.56 0.00 0.00 36.38 35.36 1bxn s VAL 91 CO 0.75 -0.73 0.68 -1.61 -0.31 0.00 0.00 175.10 173.88 1bxn s GLU 92 N -3.90 4.40 -0.06 4.82 8.01 -1.26 -1.22 118.70 129.49 1bxn s GLU 92 Ca 0.07 0.97 0.04 0.00 0.01 0.00 0.00 54.97 56.06 1bxn s GLU 92 Cb 0.06 -3.26 -0.07 0.00 -4.31 0.00 0.00 34.13 26.55 1bxn s GLU 92 CO -0.09 0.59 0.01 0.43 0.01 0.00 0.00 175.26 176.20 1bxn n SER 93 N 1.72 3.54 -3.80 -0.19 7.64 0.14 -4.94 113.62 117.73 1bxn n SER 93 Ca -0.08 -0.01 -0.12 0.00 1.01 0.00 0.00 58.87 59.67 1bxn n SER 93 Cb 0.50 0.51 -0.10 0.00 -1.01 0.00 0.00 64.21 64.11 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 -2.14 0.06 -0.27 0.44 1.01 -1.25 -5.00 120.40 113.24 1bxn s VAL 94 Ca -0.04 -0.46 -0.08 0.00 0.00 0.00 0.00 61.98 61.40 1bxn s VAL 94 Cb 0.02 -0.51 0.13 0.00 0.00 0.00 0.00 36.38 36.02 1bxn s VAL 94 CO 0.23 -0.25 0.57 -0.69 0.00 0.00 0.00 175.10 174.96 1bxn s VAL 95 N -1.07 -0.90 0.04 2.92 1.01 -1.26 -1.66 120.40 119.48 1bxn s VAL 95 Ca -0.11 0.04 0.03 0.00 0.00 0.00 0.00 61.98 61.93 1bxn s VAL 95 Cb -0.05 -0.91 -0.02 0.00 0.00 0.00 0.00 36.38 35.40 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 2.81 0.58 0.26 2.72 0.23 -1.12 -0.73 119.30 124.05 1bxn s MET 96 Ca -0.01 -0.67 -0.11 0.00 -1.03 0.00 0.00 55.69 53.87 1bxn s MET 96 Cb -0.13 -0.44 -0.08 0.00 -1.53 0.00 0.00 34.83 32.65 1bxn s MET 96 CO -0.18 0.10 0.60 -1.12 -2.03 0.00 0.00 175.02 172.40 1bxn s SER 97 N -1.27 6.66 0.00 -1.18 0.01 -1.26 -2.34 113.70 114.32 1bxn s SER 97 Ca -0.06 1.02 0.00 0.00 1.31 0.00 0.00 55.95 58.22 1bxn s SER 97 Cb -0.08 -2.27 0.00 0.00 0.21 0.00 0.00 66.02 63.88 1bxn s SER 97 CO 0.01 -0.12 0.00 0.49 0.41 0.00 0.00 173.24 174.03 1bxn n PHE 98 N -0.24 0.00 -3.19 2.43 0.99 -0.37 -4.79 117.46 112.29 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 4.85 0.04 4.37 -1.09 -1.25 -4.91 121.20 123.21 1bxn s ILE 99 Ca 0.00 1.29 0.09 0.00 -2.23 0.00 0.00 60.65 59.80 1bxn s ILE 99 Cb 0.00 -3.95 -0.03 0.00 -1.58 0.00 0.00 42.46 36.90 1bxn s ILE 99 CO 0.00 0.44 -0.26 0.68 -1.23 0.00 0.00 174.94 174.57 1bxn s VAL 100 N -0.36 2.17 0.86 2.92 -7.23 -1.25 -1.34 120.40 116.17 1bxn s VAL 100 Ca 0.31 -1.35 -0.15 0.00 -1.81 0.00 0.00 61.98 58.99 1bxn s VAL 100 Cb -0.19 -1.84 -0.02 0.00 0.56 0.00 0.00 36.38 34.89 1bxn s VAL 100 CO 0.18 0.39 0.30 -3.20 -0.31 0.00 0.00 175.10 172.46 1bxn n ASN 101 N 1.83 -2.25 -4.70 4.85 5.15 -1.20 -4.72 115.26 114.21 1bxn n ASN 101 Ca -0.17 0.42 -0.61 0.00 -0.60 0.00 0.00 54.58 53.62 1bxn n ASN 101 Cb 0.52 -1.15 -0.08 0.00 -0.53 0.00 0.00 39.78 38.54 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 -0.75 0.75 -2.80 1.20 1.74 -1.26 -2.31 116.66 113.22 1bxn n ARG 102 Ca 0.07 0.27 -0.01 0.00 -0.77 0.00 0.00 57.85 57.41 1bxn n ARG 102 Cb 0.52 -1.91 -0.00 0.00 -1.02 0.00 0.00 32.46 30.05 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 5.11 -1.01 -2.79 5.56 -0.02 -1.26 -2.49 135.00 138.11 1bxn n PRO 103 Ca 0.29 -0.10 -0.02 0.00 -2.02 0.00 0.00 63.50 61.65 1bxn n PRO 103 Cb 0.07 0.06 0.00 0.00 -0.02 0.00 0.00 33.50 33.61 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 -1.12 -1.13 0.00 3.55 0.00 -0.98 -4.62 120.51 116.22 1bxn n ALA 104 Ca -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.41 1bxn n ALA 104 Cb 0.02 -0.07 0.00 0.00 0.00 0.00 0.00 19.45 19.40 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 0.34 0.00 -3.21 0.00 10.43 -1.04 -2.84 116.55 120.24 1bxn n ASP 105 Ca -0.02 0.00 -0.06 0.00 2.57 0.00 0.00 54.79 57.28 1bxn n ASP 105 Cb 0.05 0.00 -0.03 0.00 1.84 0.00 0.00 41.12 42.98 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 -0.26 0.80 0.29 -1.24 2.02 -1.26 -4.98 118.70 114.07 1bxn s GLU 106 Ca 0.00 -0.61 0.22 0.00 0.02 0.00 0.00 54.97 54.61 1bxn s GLU 106 Cb 0.00 -0.22 1.06 0.00 0.10 0.00 0.00 34.13 35.08 1bxn s GLU 106 CO 0.00 -1.22 1.68 -2.30 0.02 0.00 0.00 175.26 173.44 1bxn n PRO 107 N 4.12 0.17 -2.17 0.39 -0.02 -1.13 -3.17 135.00 133.19 1bxn n PRO 107 Ca 0.13 0.52 -0.42 0.00 -2.02 0.00 0.00 63.50 61.71 1bxn n PRO 107 Cb 0.53 -1.91 0.00 0.00 -0.02 0.00 0.00 33.50 32.10 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 -0.62 4.54 3.35 -1.23 0.00 -1.26 -4.87 105.19 105.11 1bxn n GLY 108 Ca 0.00 -1.91 -0.38 0.00 0.00 0.00 0.00 46.02 43.74 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 -2.36 1.61 3.01 -1.19 -4.83 117.46 116.58 1bxn n PHE 109 Ca 0.44 0.37 -0.43 0.00 1.01 0.00 0.00 57.45 58.85 1bxn n PHE 109 Cb 0.38 -1.80 -0.02 0.00 -0.01 0.00 0.00 39.48 38.02 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 -1.92 4.25 -0.36 -1.08 1.70 -0.11 -4.80 118.95 116.64 1bxn s ARG 110 Ca 0.61 1.75 -0.20 0.00 -0.47 0.00 0.00 55.73 57.42 1bxn s ARG 110 Cb -0.41 -3.73 0.00 0.00 -0.57 0.00 0.00 34.95 30.24 1bxn s ARG 110 CO 0.62 -0.66 0.64 -1.17 -1.08 0.00 0.00 175.30 173.65 1bxn s LEU 111 N 3.21 4.26 0.01 -1.89 2.96 -1.26 -1.68 118.68 124.28 1bxn s LEU 111 Ca 0.58 0.13 -0.20 0.00 -0.22 0.00 0.00 54.13 54.42 1bxn s LEU 111 Cb -0.25 -2.78 -0.06 0.00 0.50 0.00 0.00 46.19 43.61 1bxn s LEU 111 CO 0.19 -0.60 0.58 -0.69 -1.32 0.00 0.00 176.35 174.51 1bxn s VAL 112 N 2.71 4.89 -0.41 1.68 1.01 0.75 -4.92 120.40 126.12 1bxn s VAL 112 Ca 0.24 1.22 0.03 0.00 0.00 0.00 0.00 61.98 63.48 1bxn s VAL 112 Cb -0.14 -3.92 0.11 0.00 0.00 0.00 0.00 36.38 32.43 1bxn s VAL 112 CO 0.15 0.44 0.15 -0.13 0.00 0.00 0.00 175.10 175.71 1bxn s ARG 113 N -0.35 1.58 -0.10 2.72 0.52 -1.26 -1.37 118.95 120.67 1bxn s ARG 113 Ca 0.30 -2.10 -0.27 0.00 -0.52 0.00 0.00 55.73 53.14 1bxn s ARG 113 Cb -0.18 -3.06 -0.02 0.00 0.52 0.00 0.00 34.95 32.21 1bxn s ARG 113 CO 0.17 -1.03 0.88 -1.14 0.02 0.00 0.00 175.30 174.21 1bxn s GLN 114 N 0.46 4.40 -0.64 3.54 0.74 0.06 -4.87 119.66 123.35 1bxn s GLN 114 Ca 0.14 1.17 -0.26 0.00 0.05 0.00 0.00 55.36 56.45 1bxn s GLN 114 Cb -0.22 -3.52 0.04 0.00 1.10 0.00 0.00 33.01 30.41 1bxn s GLN 114 CO -0.06 -0.21 1.13 -1.21 -0.55 0.00 0.00 175.29 174.39 1bxn s GLU 115 N 1.68 3.30 0.79 1.67 2.02 -1.26 -0.32 118.70 126.58 1bxn s GLU 115 Ca 0.43 -0.20 -0.09 0.00 0.02 0.00 0.00 54.97 55.13 1bxn s GLU 115 Cb -0.18 -4.11 0.11 0.00 0.10 0.00 0.00 34.13 30.04 1bxn s GLU 115 CO 0.18 -1.81 1.12 -1.21 0.02 0.00 0.00 175.26 173.55 1bxn s GLU 116 N 4.84 1.72 0.50 1.61 0.41 -0.82 -4.99 118.70 121.97 1bxn s GLU 116 Ca 0.34 -0.33 -0.23 0.00 -0.41 0.00 0.00 54.97 54.34 1bxn s GLU 116 Cb -0.10 -2.07 -0.06 0.00 -1.78 0.00 0.00 34.13 30.11 1bxn s GLU 116 CO 0.18 -1.61 1.35 -1.25 -0.49 0.00 0.00 175.26 173.44 1bxn s PRO 117 N -5.45 3.41 2.62 0.39 0.04 -1.26 -4.41 135.00 130.34 1bxn s PRO 117 Ca 0.64 2.22 0.00 0.00 0.04 0.00 0.00 61.00 63.91 1bxn s PRO 117 Cb -0.08 -2.41 0.00 0.00 0.04 0.00 0.00 34.50 32.04 1bxn s PRO 117 CO 0.47 -0.97 0.00 0.41 0.04 0.00 0.00 177.00 176.95 1bxn n GLY 118 N 0.65 0.22 0.87 0.56 0.00 -1.26 -3.70 105.19 102.53 1bxn n GLY 118 Ca 0.08 -1.20 0.07 0.00 0.00 0.00 0.00 46.02 44.98 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 5.41 3.02 -2.69 1.61 3.00 -1.26 -5.00 116.66 120.75 1bxn n ARG 119 Ca 0.00 -2.52 -0.37 0.00 -0.00 0.00 0.00 57.85 54.96 1bxn n ARG 119 Cb 0.00 -1.62 -0.06 0.00 0.00 0.00 0.00 32.46 30.79 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 -1.97 4.02 0.03 5.15 2.01 -1.24 -5.00 115.64 118.64 1bxn s THR 120 Ca 0.35 1.64 0.07 0.00 0.31 0.00 0.00 61.69 64.06 1bxn s THR 120 Cb 0.25 -3.89 -0.02 0.00 0.01 0.00 0.00 72.50 68.85 1bxn s THR 120 CO 0.13 0.10 -0.21 -0.76 -0.69 0.00 0.00 174.62 173.19 1bxn s LEU 121 N -2.23 2.13 -0.40 4.42 1.43 -1.26 -1.95 118.68 120.81 1bxn s LEU 121 Ca 0.53 -0.48 -0.06 0.00 -1.03 0.00 0.00 54.13 53.08 1bxn s LEU 121 Cb -0.20 -1.01 0.09 0.00 0.03 0.00 0.00 46.19 45.10 1bxn s LEU 121 CO 0.26 0.19 0.22 -0.60 0.23 0.00 0.00 176.35 176.64 1bxn s ARG 122 N -0.98 2.41 0.51 1.70 6.06 0.57 -4.91 118.95 124.30 1bxn s ARG 122 Ca 0.08 -1.55 -0.10 0.00 -2.50 0.00 0.00 55.73 51.66 1bxn s ARG 122 Cb -0.09 -3.66 -0.05 0.00 0.06 0.00 0.00 34.95 31.22 1bxn s ARG 122 CO 0.01 -0.96 0.88 0.71 -2.50 0.00 0.00 175.30 173.44 1bxn s TYR 123 N 1.32 3.54 -0.25 5.12 1.51 -1.26 -0.76 117.35 126.58 1bxn s TYR 123 Ca 0.03 1.11 -0.02 0.00 -1.01 0.00 0.00 57.07 57.18 1bxn s TYR 123 Cb -0.23 -2.53 0.12 0.00 -0.11 0.00 0.00 41.96 39.21 1bxn s TYR 123 CO -0.00 -0.36 0.28 -1.12 -1.11 0.00 0.00 175.55 173.24 1bxn s SER 124 N -3.72 1.28 -0.09 2.29 0.01 -0.47 -4.94 113.70 108.05 1bxn s SER 124 Ca 0.52 -0.36 -0.24 0.00 1.31 0.00 0.00 55.95 57.19 1bxn s SER 124 Cb -0.10 0.57 -0.03 0.00 0.21 0.00 0.00 66.02 66.67 1bxn s SER 124 CO 0.42 -0.35 0.72 -0.63 0.41 0.00 0.00 173.24 173.82 1bxn s ILE 125 N 2.38 5.01 -0.05 1.44 1.01 -1.26 -0.18 121.20 129.56 1bxn s ILE 125 Ca 0.09 1.47 -0.02 0.00 0.00 0.00 0.00 60.65 62.19 1bxn s ILE 125 Cb -0.15 -4.06 0.03 0.00 0.01 0.00 0.00 42.46 38.29 1bxn s ILE 125 CO -0.21 0.20 0.10 -0.70 0.00 0.00 0.00 174.94 174.32 1bxn s GLU 126 N 1.14 0.05 0.78 2.79 2.12 -0.68 -4.97 118.70 119.93 1bxn s GLU 126 Ca 0.37 0.27 -0.12 0.00 0.36 0.00 0.00 54.97 55.85 1bxn s GLU 126 Cb -0.17 -0.16 0.07 0.00 0.26 0.00 0.00 34.13 34.12 1bxn s GLU 126 CO 0.17 -0.14 1.14 -1.12 -0.54 0.00 0.00 175.26 174.77 1bxn s SER 127 N 0.94 4.05 0.00 -1.70 0.01 -1.26 -0.94 113.70 114.80 1bxn s SER 127 Ca -0.07 2.10 0.00 0.00 1.31 0.00 0.00 55.95 59.28 1bxn s SER 127 Cb -0.10 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.57 1bxn s SER 127 CO -0.04 -2.34 0.99 -1.22 0.41 0.00 0.00 173.24 171.03 1bxn n TYR 128 N -3.34 0.00 -1.60 2.43 4.02 -1.26 -4.79 117.16 112.61 1bxn n TYR 128 Ca 0.11 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.00 1bxn n TYR 128 Cb 0.52 -0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.84 1bxn n TYR 128 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85