#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xsb s PRO 2 N 0.00 4.09 0.18 1.61 0.04 -1.26 -5.02 135.00 134.64 1xsb s PRO 2 Ca 0.00 1.71 -0.23 0.00 0.04 0.00 0.00 61.00 62.52 1xsb s PRO 2 Cb 0.00 -2.63 -0.08 0.00 0.04 0.00 0.00 34.50 31.83 1xsb s PRO 2 CO 0.00 -0.25 0.75 -0.51 0.04 0.00 0.00 177.00 177.03 1xsb s LEU 3 N -2.55 4.51 0.00 -3.56 1.43 -1.26 -4.88 118.68 112.37 1xsb s LEU 3 Ca 0.57 1.56 0.00 0.00 -1.03 0.00 0.00 54.13 55.23 1xsb s LEU 3 Cb -0.27 -3.37 0.00 0.00 0.03 0.00 0.00 46.19 42.58 1xsb s LEU 3 CO 0.34 0.16 0.00 0.61 0.23 0.00 0.00 176.35 177.69 1xsb n GLY 4 N 1.32 -2.56 3.58 -3.19 0.00 -1.26 -4.90 105.19 98.18 1xsb n GLY 4 Ca -0.05 -1.67 -0.34 0.00 0.00 0.00 0.00 46.02 43.96 1xsb n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xsb s SER 5 N -2.33 4.89 -0.07 1.61 0.01 -1.26 -5.11 113.70 111.44 1xsb s SER 5 Ca 0.00 -0.01 0.01 0.00 1.31 0.00 0.00 55.95 57.26 1xsb s SER 5 Cb 0.00 -1.50 -0.03 0.00 0.21 0.00 0.00 66.02 64.70 1xsb s SER 5 CO 0.00 0.29 -0.08 -0.32 0.41 0.00 0.00 173.24 173.54 1xsb s MET 6 N -0.38 2.80 0.25 12.44 1.75 -1.26 -5.03 119.30 129.88 1xsb s MET 6 Ca 0.06 -0.58 0.00 0.00 -1.25 0.00 0.00 55.69 53.92 1xsb s MET 6 Cb -0.12 -2.58 0.00 0.00 2.84 0.00 0.00 34.83 34.97 1xsb s MET 6 CO 0.02 0.60 0.00 0.00 -0.65 0.00 0.00 175.02 175.00 1xsb n ALA 7 N 2.40 -3.00 -2.85 4.11 0.00 -1.26 -4.79 120.51 115.11 1xsb n ALA 7 Ca -0.18 0.36 -0.36 0.00 0.00 0.00 0.00 53.44 53.26 1xsb n ALA 7 Cb 0.53 -1.01 -0.06 0.00 0.00 0.00 0.00 19.45 18.90 1xsb n ALA 7 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1xsb s LEU 8 N -5.14 4.25 0.04 0.00 1.02 -0.32 -4.95 118.68 113.58 1xsb s LEU 8 Ca 0.00 0.39 -0.26 0.00 0.02 0.00 0.00 54.13 54.28 1xsb s LEU 8 Cb 0.00 -2.13 -0.05 0.00 0.02 0.00 0.00 46.19 44.03 1xsb s LEU 8 CO 0.00 0.38 0.80 -0.60 0.02 0.00 0.00 176.35 176.94 1xsb s ARG 9 N -1.19 4.52 0.06 1.70 3.52 -1.26 -0.92 118.95 125.37 1xsb s ARG 9 Ca 0.17 1.11 -0.04 0.00 -0.13 0.00 0.00 55.73 56.84 1xsb s ARG 9 Cb -0.12 -3.38 -0.02 0.00 -1.56 0.00 0.00 34.95 29.87 1xsb s ARG 9 CO 0.07 0.23 0.06 0.00 -0.81 0.00 0.00 175.30 174.84 1xsb s ALA 10 N 0.12 0.17 -0.14 6.12 0.00 0.14 -3.59 121.76 124.59 1xsb s ALA 10 Ca 0.40 -0.89 -0.06 0.00 0.00 0.00 0.00 51.96 51.42 1xsb s ALA 10 Cb -0.21 0.32 0.06 0.00 0.00 0.00 0.00 23.12 23.30 1xsb s ALA 10 CO 0.24 -0.39 0.30 0.00 0.00 0.00 0.00 175.76 175.91 1xsb s GLY 12 N 2.02 2.87 -0.16 0.00 0.00 -0.83 -2.57 107.32 108.64 1xsb s GLY 12 Ca -0.03 -0.92 0.00 0.00 0.00 0.00 0.00 44.72 43.77 1xsb s GLY 12 CO -0.10 -2.16 -0.12 1.08 0.00 0.00 0.00 173.10 171.80 1xsb s LEU 13 N -3.85 1.84 -0.54 0.66 1.43 -1.04 -3.99 118.68 113.19 1xsb s LEU 13 Ca 0.14 -0.61 -0.26 0.00 -1.03 0.00 0.00 54.13 52.37 1xsb s LEU 13 Cb 0.04 -1.16 0.03 0.00 0.03 0.00 0.00 46.19 45.13 1xsb s LEU 13 CO 0.08 -0.10 1.04 -0.63 0.23 0.00 0.00 176.35 176.97 1xsb s ILE 14 N 1.48 4.26 -0.08 -0.59 1.01 -0.80 -4.41 121.20 122.06 1xsb s ILE 14 Ca 0.03 0.65 -0.09 0.00 0.00 0.00 0.00 60.65 61.24 1xsb s ILE 14 Cb -0.14 -4.59 -0.04 0.00 0.01 0.00 0.00 42.46 37.69 1xsb s ILE 14 CO -0.10 -1.14 0.21 -0.63 0.00 0.00 0.00 174.94 173.29 1xsb s ILE 15 N 4.31 5.38 -0.04 2.92 1.01 -1.26 0.10 121.20 133.62 1xsb s ILE 15 Ca 0.37 0.38 -0.02 0.00 0.00 0.00 0.00 60.65 61.38 1xsb s ILE 15 Cb -0.10 -3.49 0.03 0.00 0.01 0.00 0.00 42.46 38.91 1xsb s ILE 15 CO 0.24 0.60 0.05 0.72 0.00 0.00 0.00 174.94 176.55 1xsb s PHE 16 N -1.05 0.06 -0.31 3.97 -0.71 1.20 -1.80 117.98 119.33 1xsb s PHE 16 Ca 0.18 0.22 -0.25 0.00 -1.04 0.00 0.00 56.93 56.04 1xsb s PHE 16 Cb -0.13 -0.43 0.01 0.00 -1.21 0.00 0.00 43.02 41.25 1xsb s PHE 16 CO 0.07 -0.17 0.89 -0.98 -1.34 0.00 0.00 175.22 173.69 1xsb s ARG 17 N 1.93 3.99 0.04 1.99 1.70 -0.28 -3.91 118.95 124.41 1xsb s ARG 17 Ca 0.02 0.74 -0.10 0.00 -0.47 0.00 0.00 55.73 55.92 1xsb s ARG 17 Cb -0.12 -3.74 -0.05 0.00 -0.57 0.00 0.00 34.95 30.47 1xsb s ARG 17 CO -0.03 -0.77 0.36 0.50 -1.08 0.00 0.00 175.30 174.28 1xsb s ARG 18 N 3.21 3.74 -0.07 3.89 3.52 -1.26 -3.33 118.95 128.64 1xsb s ARG 18 Ca 0.37 0.15 -0.10 0.00 -0.13 0.00 0.00 55.73 56.02 1xsb s ARG 18 Cb -0.13 -3.07 -0.05 0.00 -1.56 0.00 0.00 34.95 30.14 1xsb s ARG 18 CO 0.14 0.62 0.24 0.00 -0.81 0.00 0.00 175.30 175.49 1xsb h LEU 20 N 4.89 0.33 -7.89 0.00 5.85 -1.98 -3.43 115.31 113.09 1xsb h LEU 20 Ca -0.54 0.11 -0.11 0.00 0.84 0.00 0.00 57.88 58.19 1xsb h LEU 20 Cb 1.23 0.08 -0.16 0.00 0.37 0.00 0.00 40.66 42.17 1xsb h LEU 20 CO 0.59 0.12 -0.46 0.27 -0.34 0.00 0.00 178.44 178.62 1xsb s ILE 21 N -6.00 0.15 0.65 4.05 -5.25 -1.26 -5.15 121.20 108.39 1xsb s ILE 21 Ca -0.12 -1.20 -0.17 0.00 -0.99 0.00 0.00 60.65 58.16 1xsb s ILE 21 Cb 0.21 -1.17 -0.01 0.00 2.95 0.00 0.00 42.46 44.44 1xsb s ILE 21 CO 0.77 -0.66 1.24 -2.84 -1.79 0.00 0.00 174.94 171.65 1xsb s PRO 22 N -3.30 2.59 0.00 0.37 0.02 -1.26 -5.00 135.00 128.41 1xsb s PRO 22 Ca 0.01 1.89 0.00 0.00 0.02 0.00 0.00 61.00 62.92 1xsb s PRO 22 Cb 0.03 -1.87 0.00 0.00 0.02 0.00 0.00 34.50 32.68 1xsb s PRO 22 CO -0.08 -1.52 0.00 1.63 -0.33 0.00 0.00 177.00 176.70 1xsb n LYS 23 N -2.03 0.00 0.00 5.54 5.02 -1.26 -4.78 118.16 120.65 1xsb n LYS 23 Ca 0.14 0.00 0.06 0.00 -2.02 0.00 0.00 58.31 56.49 1xsb n LYS 23 Cb 0.49 0.00 0.29 0.00 -0.02 0.00 0.00 35.03 35.80 1xsb n LYS 23 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1xsb n VAL 24 N -0.93 0.81 -3.54 -0.18 0.31 -1.26 -4.83 118.33 108.71 1xsb n VAL 24 Ca 0.00 0.20 -0.22 0.00 -0.01 0.00 0.00 64.34 64.32 1xsb n VAL 24 Cb 0.00 -1.00 0.08 0.00 -0.91 0.00 0.00 33.84 32.01 1xsb n VAL 24 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1xsb n ASP 25 N -1.34 -4.94 0.00 4.52 8.00 -1.26 -4.86 116.55 116.67 1xsb n ASP 25 Ca 0.05 -0.57 0.00 0.00 0.71 0.00 0.00 54.79 54.98 1xsb n ASP 25 Cb 0.11 -5.07 0.00 0.00 -0.02 0.00 0.00 41.12 36.14 1xsb n ASP 25 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1xsb n ASN 26 N -3.05 0.00 -4.41 -2.24 5.15 -1.26 -5.05 115.26 104.40 1xsb n ASN 26 Ca -0.09 0.00 -0.43 0.00 -0.60 0.00 0.00 54.58 53.45 1xsb n ASN 26 Cb 0.60 0.00 -0.09 0.00 -0.53 0.00 0.00 39.78 39.76 1xsb n ASN 26 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1xsb s ASN 27 N 1.08 6.08 -0.17 1.20 4.22 -1.26 -4.90 114.94 121.19 1xsb s ASN 27 Ca 0.00 -1.17 0.10 0.00 -2.14 0.00 0.00 52.86 49.65 1xsb s ASN 27 Cb 0.00 -2.16 -0.23 0.00 1.28 0.00 0.00 41.25 40.15 1xsb s ASN 27 CO 0.00 -0.56 0.17 0.00 -2.04 0.00 0.00 177.10 174.67 1xsb n ALA 28 N 5.16 1.40 -2.68 3.54 0.00 -1.26 -4.92 120.51 121.75 1xsb n ALA 28 Ca -0.12 -1.06 -0.33 0.00 0.00 0.00 0.00 53.44 51.94 1xsb n ALA 28 Cb 0.45 -0.37 -0.13 0.00 0.00 0.00 0.00 19.45 19.39 1xsb n ALA 28 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1xsb s ILE 29 N -2.53 3.16 0.23 0.00 1.01 -1.26 -3.81 121.20 118.00 1xsb s ILE 29 Ca -0.17 -0.66 0.08 0.00 0.00 0.00 0.00 60.65 59.90 1xsb s ILE 29 Cb 0.07 -2.28 -0.05 0.00 0.01 0.00 0.00 42.46 40.22 1xsb s ILE 29 CO 0.76 0.57 -0.13 -1.61 0.00 0.00 0.00 174.94 174.54 1xsb s GLU 30 N -0.39 1.40 0.18 2.79 2.02 -1.21 -4.02 118.70 119.48 1xsb s GLU 30 Ca 0.04 -1.64 0.11 0.00 0.02 0.00 0.00 54.97 53.50 1xsb s GLU 30 Cb -0.12 -1.17 -0.04 0.00 0.10 0.00 0.00 34.13 32.89 1xsb s GLU 30 CO 0.02 0.16 -0.24 -0.06 0.02 0.00 0.00 175.26 175.17 1xsb s PHE 31 N -2.95 2.26 -0.07 1.61 0.08 -0.72 -1.12 117.98 117.07 1xsb s PHE 31 Ca 0.25 -0.37 -0.27 0.00 0.12 0.00 0.00 56.93 56.65 1xsb s PHE 31 Cb -0.00 -1.13 -0.02 0.00 -0.57 0.00 0.00 43.02 41.29 1xsb s PHE 31 CO 0.08 0.47 0.89 -1.17 -0.10 0.00 0.00 175.22 175.40 1xsb s LEU 32 N -2.60 4.30 -0.06 -0.37 2.96 -0.75 -3.75 118.68 118.42 1xsb s LEU 32 Ca 0.19 1.43 0.03 0.00 -0.22 0.00 0.00 54.13 55.57 1xsb s LEU 32 Cb -0.08 -3.39 0.01 0.00 0.50 0.00 0.00 46.19 43.22 1xsb s LEU 32 CO 0.09 -0.29 -0.14 -0.76 -1.32 0.00 0.00 176.35 173.93 1xsb s LEU 33 N 1.37 1.77 -0.09 -0.68 1.43 -1.12 -4.63 118.68 116.73 1xsb s LEU 33 Ca 0.45 -0.32 -0.02 0.00 -1.03 0.00 0.00 54.13 53.21 1xsb s LEU 33 Cb -0.19 -0.87 -0.03 0.00 0.03 0.00 0.00 46.19 45.13 1xsb s LEU 33 CO 0.21 0.08 0.01 -0.76 0.23 0.00 0.00 176.35 176.12 1xsb s LEU 34 N 0.40 3.65 -0.16 1.79 1.43 -1.00 -1.53 118.68 123.25 1xsb s LEU 34 Ca -0.10 0.17 -0.16 0.00 -1.03 0.00 0.00 54.13 53.01 1xsb s LEU 34 Cb -0.14 -1.84 -0.04 0.00 0.03 0.00 0.00 46.19 44.20 1xsb s LEU 34 CO 0.03 0.37 0.37 -1.58 0.23 0.00 0.00 176.35 175.77 1xsb s GLN 35 N -0.85 4.26 0.46 1.70 0.74 0.81 -2.07 119.66 124.71 1xsb s GLN 35 Ca 0.13 0.22 -0.25 0.00 0.05 0.00 0.00 55.36 55.51 1xsb s GLN 35 Cb -0.11 -3.46 -0.08 0.00 1.10 0.00 0.00 33.01 30.46 1xsb s GLN 35 CO 0.02 0.14 1.37 0.00 -0.55 0.00 0.00 175.29 176.27 1xsb s ALA 36 N 0.75 3.15 -1.24 1.58 0.00 -1.15 -1.29 121.76 123.57 1xsb s ALA 36 Ca 0.20 1.35 0.28 0.00 0.00 0.00 0.00 51.96 53.79 1xsb s ALA 36 Cb -0.14 -3.55 1.15 0.00 0.00 0.00 0.00 23.12 20.59 1xsb s ALA 36 CO 0.07 -1.10 1.84 -1.13 0.00 0.00 0.00 175.76 175.44 1xsb n SER 37 N -0.28 0.21 -3.94 0.00 3.41 0.59 -4.47 113.62 109.14 1xsb n SER 37 Ca 0.06 -0.03 -0.12 0.00 -0.26 0.00 0.00 58.87 58.52 1xsb n SER 37 Cb 0.43 -0.22 -0.07 0.00 -0.26 0.00 0.00 64.21 64.09 1xsb n SER 37 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1xsb s ASP 38 N -2.79 0.29 0.00 4.04 -0.00 -1.26 -4.96 116.67 111.99 1xsb s ASP 38 Ca 0.20 -1.28 0.00 0.00 -0.00 0.00 0.00 52.55 51.47 1xsb s ASP 38 Cb 0.19 0.50 0.00 0.00 -0.00 0.00 0.00 42.92 43.61 1xsb s ASP 38 CO 0.53 -1.02 0.00 0.61 -0.00 0.00 0.00 175.17 175.30 1xsb n GLY 39 N -0.37 -1.67 0.00 0.21 0.00 -1.26 -3.74 105.19 98.36 1xsb n GLY 39 Ca 0.01 -1.54 0.03 0.00 0.00 0.00 0.00 46.02 44.53 1xsb n GLY 39 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1xsb n ILE 40 N 0.00 0.00 -3.35 -0.61 -5.35 -1.26 -4.80 119.36 103.98 1xsb n ILE 40 Ca 0.00 0.00 -0.19 0.00 -0.27 0.00 0.00 62.75 62.29 1xsb n ILE 40 Cb 0.00 -0.40 0.06 0.00 -1.74 0.00 0.00 39.64 37.56 1xsb n ILE 40 CO 0.00 0.00 0.00 1.41 -1.76 0.00 0.00 176.55 176.20 1xsb n HIS 41 N -0.69 -2.25 -1.58 4.28 8.25 -1.25 -4.98 115.22 117.00 1xsb n HIS 41 Ca 0.05 0.79 -0.31 0.00 -0.26 0.00 0.00 57.72 57.99 1xsb n HIS 41 Cb 0.02 -4.15 0.05 0.00 1.12 0.00 0.00 29.99 27.04 1xsb n HIS 41 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 1xsb s HIS 42 N -3.25 2.92 -0.18 4.41 -3.43 -1.26 -4.60 115.29 109.90 1xsb s HIS 42 Ca 0.46 1.48 -0.11 0.00 -0.80 0.00 0.00 55.06 56.09 1xsb s HIS 42 Cb -0.20 -2.96 -0.05 0.00 -1.43 0.00 0.00 32.58 27.94 1xsb s HIS 42 CO 0.57 -1.39 0.17 -1.58 -2.00 0.00 0.00 174.74 170.51 1xsb s TRP 43 N -2.86 3.45 -0.01 0.38 0.52 -1.26 -2.93 118.94 116.24 1xsb s TRP 43 Ca 0.60 0.43 -0.18 0.00 0.02 0.00 0.00 56.10 56.98 1xsb s TRP 43 Cb -0.16 -2.17 0.03 0.00 -1.15 0.00 0.00 33.47 30.02 1xsb s TRP 43 CO 0.51 0.35 0.38 0.95 0.02 0.00 0.00 176.95 179.16 1xsb s THR 44 N 0.17 0.05 0.81 2.01 -4.23 -0.88 -4.45 115.64 109.12 1xsb s THR 44 Ca 0.11 -0.42 -0.11 0.00 -1.18 0.00 0.00 61.69 60.09 1xsb s THR 44 Cb -0.12 -0.74 0.08 0.00 1.34 0.00 0.00 72.50 73.06 1xsb s THR 44 CO 0.00 -0.23 1.09 -2.16 -0.54 0.00 0.00 174.62 172.78 1xsb s PRO 45 N -1.55 2.00 -0.62 3.99 0.04 -1.26 -2.37 135.00 135.23 1xsb s PRO 45 Ca -0.11 0.88 -0.31 0.00 0.04 0.00 0.00 61.00 61.50 1xsb s PRO 45 Cb -0.03 -1.89 -0.13 0.00 0.04 0.00 0.00 34.50 32.48 1xsb s PRO 45 CO 0.04 -1.74 2.44 -2.30 0.04 0.00 0.00 177.00 175.48 1xsb n PRO 46 N -3.55 0.69 -4.32 0.56 -0.02 -1.26 -4.85 135.00 122.26 1xsb n PRO 46 Ca 0.08 0.08 -0.35 0.00 -2.02 0.00 0.00 63.50 61.29 1xsb n PRO 46 Cb 0.55 -2.50 -0.09 0.00 -0.02 0.00 0.00 33.50 31.44 1xsb n PRO 46 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1xsb s LYS 47 N 7.89 3.05 0.28 -0.52 1.02 -1.26 -2.48 119.74 127.72 1xsb s LYS 47 Ca 1.14 -0.38 -0.03 0.00 0.02 0.00 0.00 55.97 56.72 1xsb s LYS 47 Cb -0.75 -2.84 -0.01 0.00 -0.52 0.00 0.00 37.83 33.71 1xsb s LYS 47 CO 0.41 0.70 0.36 0.20 -0.92 0.00 0.00 175.35 176.10 1xsb s GLY 48 N -0.87 1.37 -0.09 -3.33 0.00 -1.06 -4.97 107.32 98.36 1xsb s GLY 48 Ca 0.13 -1.50 -0.01 0.00 0.00 0.00 0.00 44.72 43.34 1xsb s GLY 48 CO 0.02 -1.09 -0.03 0.30 0.00 0.00 0.00 173.10 172.31 1xsb s HIS 49 N -3.63 3.06 0.01 1.90 3.76 -1.26 -1.75 115.29 117.38 1xsb s HIS 49 Ca 0.32 0.04 -0.22 0.00 -0.15 0.00 0.00 55.06 55.05 1xsb s HIS 49 Cb 0.02 -1.80 -0.05 0.00 1.11 0.00 0.00 32.58 31.86 1xsb s HIS 49 CO 0.17 0.32 0.65 0.54 -0.85 0.00 0.00 174.74 175.57 1xsb s VAL 50 N -0.61 4.85 0.62 -0.90 0.11 -1.24 -4.91 120.40 118.33 1xsb s VAL 50 Ca 0.10 1.37 -0.10 0.00 -2.93 0.00 0.00 61.98 60.41 1xsb s VAL 50 Cb -0.12 -3.99 0.15 0.00 -1.53 0.00 0.00 36.38 30.89 1xsb s VAL 50 CO 0.02 0.40 0.57 1.21 -3.33 0.00 0.00 175.10 173.96 1xsb n GLU 51 N 2.77 -1.99 0.00 1.54 4.07 -1.26 -4.93 120.64 120.83 1xsb n GLU 51 Ca -0.05 -0.90 0.00 0.00 -0.06 0.00 0.00 57.16 56.14 1xsb n GLU 51 Cb 0.51 -0.82 0.00 0.00 -0.06 0.00 0.00 31.44 31.06 1xsb n GLU 51 CO 0.00 0.00 0.00 -0.35 -0.06 0.00 0.00 177.13 176.72 1xsb n PRO 52 N -3.15 0.00 0.00 5.31 -0.04 -1.26 -3.55 135.00 132.31 1xsb n PRO 52 Ca 0.08 0.19 0.00 0.00 -0.04 0.00 0.00 63.50 63.73 1xsb n PRO 52 Cb 0.30 -0.92 0.00 0.00 -0.04 0.00 0.00 33.50 32.83 1xsb n PRO 52 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1xsb n GLY 53 N 0.93 1.07 3.88 0.55 0.00 -1.26 -4.80 105.19 105.56 1xsb n GLY 53 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 1xsb n GLY 53 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1xsb s GLU 54 N -1.06 3.75 0.67 1.61 2.12 -1.23 -5.07 118.70 119.49 1xsb s GLU 54 Ca 0.00 0.24 -0.11 0.00 0.36 0.00 0.00 54.97 55.46 1xsb s GLU 54 Cb 0.00 -2.58 -0.01 0.00 0.26 0.00 0.00 34.13 31.80 1xsb s GLU 54 CO 0.00 0.20 1.06 0.34 -0.54 0.00 0.00 175.26 176.32 1xsb s ASP 55 N -2.80 5.71 -0.06 -1.70 -1.08 -1.26 -4.75 116.67 110.73 1xsb s ASP 55 Ca 0.47 1.37 -0.09 0.00 -0.52 0.00 0.00 52.55 53.78 1xsb s ASP 55 Cb -0.11 -2.29 -0.05 0.00 -1.46 0.00 0.00 42.92 39.02 1xsb s ASP 55 CO 0.26 -1.20 0.37 0.44 0.52 0.00 0.00 175.17 175.56 1xsb h ASP 56 N -0.55 -0.26 -0.79 -0.34 3.32 -1.97 -3.03 116.42 112.80 1xsb h ASP 56 Ca -0.44 0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.62 1xsb h ASP 56 Cb 1.22 0.07 -0.04 0.00 0.22 0.00 0.00 39.33 40.80 1xsb h ASP 56 CO 0.61 0.17 0.50 0.25 -1.72 0.00 0.00 179.24 179.05 1xsb h LEU 57 N -1.01 0.93 -0.98 1.55 5.85 -1.97 -2.06 115.31 117.62 1xsb h LEU 57 Ca -0.03 -0.05 0.12 0.00 0.84 0.00 0.00 57.88 58.77 1xsb h LEU 57 Cb 0.24 -0.23 -0.09 0.00 0.37 0.00 0.00 40.66 40.95 1xsb h LEU 57 CO 0.05 0.70 0.61 -0.33 -0.34 0.00 0.00 178.44 179.13 1xsb h GLU 58 N 1.08 0.91 -0.85 1.25 3.07 -1.98 0.41 114.58 118.47 1xsb h GLU 58 Ca 0.29 -0.05 0.04 0.00 -0.50 0.00 0.00 59.36 59.13 1xsb h GLU 58 Cb -0.08 -0.21 -0.05 0.00 -0.84 0.00 0.00 28.75 27.57 1xsb h GLU 58 CO -0.06 0.60 0.54 1.15 -1.40 0.00 0.00 179.01 179.85 1xsb h THR 59 N 0.94 1.11 -0.40 1.13 2.02 -1.24 1.16 112.91 117.63 1xsb h THR 59 Ca 0.49 -0.36 -0.07 0.00 0.77 0.00 0.00 66.41 67.25 1xsb h THR 59 Cb 0.52 -0.02 -0.01 0.00 -1.74 0.00 0.00 68.15 66.89 1xsb h THR 59 CO -0.28 0.19 -0.01 0.00 0.37 0.00 0.00 175.52 175.79 1xsb h ALA 60 N 1.37 0.54 0.15 6.16 0.00 -0.37 0.44 119.26 127.55 1xsb h ALA 60 Ca 0.35 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 1xsb h ALA 60 Cb 0.05 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 1xsb h ALA 60 CO -0.13 0.33 -0.09 -0.07 0.00 0.00 0.00 179.25 179.29 1xsb h LEU 61 N 0.54 -0.24 -0.62 0.00 3.38 0.13 1.17 115.31 119.68 1xsb h LEU 61 Ca 0.11 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 1xsb h LEU 61 Cb 0.49 0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.29 1xsb h LEU 61 CO 0.02 -0.15 0.29 -0.09 0.09 0.00 0.00 178.44 178.60 1xsb h ARG 62 N -0.24 0.89 -0.22 1.13 2.43 0.14 -2.35 114.38 116.17 1xsb h ARG 62 Ca -0.01 -0.14 -0.12 0.00 -0.81 0.00 0.00 59.98 58.90 1xsb h ARG 62 Cb 0.20 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.58 1xsb h ARG 62 CO 0.01 0.73 -0.39 0.00 -1.51 0.00 0.00 179.97 178.81 1xsb h ALA 63 N 1.12 0.93 -0.52 2.80 0.00 0.27 -0.86 119.26 123.00 1xsb h ALA 63 Ca 0.21 -0.42 0.04 0.00 0.00 0.00 0.00 54.91 54.74 1xsb h ALA 63 Cb 0.13 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 1xsb h ALA 63 CO -0.02 0.63 0.28 1.15 0.00 0.00 0.00 179.25 181.28 1xsb h THR 64 N 0.41 0.99 0.17 0.00 2.02 0.19 0.36 112.91 117.04 1xsb h THR 64 Ca 0.04 -0.19 -0.31 0.00 0.77 0.00 0.00 66.41 66.72 1xsb h THR 64 Cb 0.86 0.39 0.03 0.00 -1.74 0.00 0.00 68.15 67.69 1xsb h THR 64 CO 0.07 0.10 -1.30 -0.61 0.37 0.00 0.00 175.52 174.16 1xsb h GLN 65 N 0.55 0.58 -0.66 6.66 4.15 -0.31 0.27 115.11 126.35 1xsb h GLN 65 Ca 0.22 -0.85 -0.02 0.00 0.77 0.00 0.00 58.65 58.78 1xsb h GLN 65 Cb 0.10 0.30 -0.03 0.00 0.21 0.00 0.00 27.48 28.06 1xsb h GLN 65 CO -0.14 1.39 0.34 0.93 -1.93 0.00 0.00 178.83 179.43 1xsb h GLU 66 N 0.19 0.92 0.00 1.69 5.08 -0.94 3.16 114.58 124.69 1xsb h GLU 66 Ca -0.21 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.04 1xsb h GLU 66 Cb 1.98 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 31.05 1xsb h GLU 66 CO 0.25 0.69 -1.34 0.39 -1.00 0.00 0.00 179.01 178.00 1xsb n GLU 67 N -4.36 0.31 0.00 2.33 -0.58 0.10 -4.31 120.64 114.12 1xsb n GLU 67 Ca 0.06 -0.07 0.00 0.00 -0.42 0.00 0.00 57.16 56.73 1xsb n GLU 67 Cb 0.11 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 29.49 1xsb n GLU 67 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1xsb n ALA 68 N -1.76 1.14 -0.20 0.62 0.00 0.89 -3.97 120.51 117.23 1xsb n ALA 68 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 1xsb n ALA 68 Cb 0.41 0.04 0.00 0.00 0.00 0.00 0.00 19.45 19.90 1xsb n ALA 68 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xsb n GLY 69 N 1.37 1.09 3.65 0.00 0.00 1.05 0.52 105.19 112.88 1xsb n GLY 69 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 1xsb n GLY 69 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xsb s ILE 70 N -2.66 4.97 0.41 -0.61 1.01 -1.21 -4.73 121.20 118.38 1xsb s ILE 70 Ca 0.00 0.03 0.06 0.00 0.00 0.00 0.00 60.65 60.75 1xsb s ILE 70 Cb 0.00 -3.25 -0.08 0.00 0.01 0.00 0.00 42.46 39.14 1xsb s ILE 70 CO 0.00 0.44 0.01 -1.83 0.00 0.00 0.00 174.94 173.57 1xsb s GLU 71 N 0.45 1.94 0.39 2.79 -1.05 -1.26 -0.39 118.70 121.57 1xsb s GLU 71 Ca 0.05 -2.11 0.18 0.00 -0.15 0.00 0.00 54.97 52.94 1xsb s GLU 71 Cb -0.12 -1.57 1.12 0.00 -0.44 0.00 0.00 34.13 33.12 1xsb s GLU 71 CO -0.00 -0.08 1.73 0.00 0.95 0.00 0.00 175.26 177.87 1xsb h ALA 72 N 1.78 2.21 -0.04 -0.84 0.00 -1.84 3.12 119.26 123.65 1xsb h ALA 72 Ca -0.44 0.09 0.01 0.00 0.00 0.00 0.00 54.91 54.57 1xsb h ALA 72 Cb 1.24 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 19.09 1xsb h ALA 72 CO 0.80 -0.68 0.07 0.78 0.00 0.00 0.00 179.25 180.22 1xsb h GLY 73 N 0.37 0.00 -0.09 0.00 0.00 -1.98 -1.19 103.07 100.18 1xsb h GLY 73 Ca 0.65 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.98 1xsb h GLY 73 CO -0.37 0.00 -0.67 -1.06 0.00 0.00 0.00 176.54 174.44 1xsb n GLN 74 N -3.56 1.94 -3.61 4.80 6.02 1.02 -5.00 117.38 119.00 1xsb n GLN 74 Ca -0.02 -0.10 -0.17 0.00 -0.01 0.00 0.00 57.00 56.70 1xsb n GLN 74 Cb 0.15 -1.22 -0.05 0.00 1.02 0.00 0.00 30.24 30.14 1xsb n GLN 74 CO 0.00 0.00 0.00 1.47 -1.01 0.00 0.00 177.06 177.52 1xsb n LEU 75 N -1.20 0.00 -3.91 1.08 -0.00 0.08 -0.39 117.00 112.66 1xsb n LEU 75 Ca 0.03 -2.08 -0.29 0.00 -0.00 0.00 0.00 56.01 53.67 1xsb n LEU 75 Cb 0.25 0.68 -0.16 0.00 -0.00 0.00 0.00 43.42 44.19 1xsb n LEU 75 CO 0.29 -0.32 -0.43 -0.89 -0.00 0.00 0.00 177.39 176.04 1xsb s THR 76 N -2.56 1.22 0.02 1.47 2.01 0.82 -4.72 115.64 113.89 1xsb s THR 76 Ca 0.14 -0.70 -0.28 0.00 0.31 0.00 0.00 61.69 61.15 1xsb s THR 76 Cb 0.01 -1.37 -0.04 0.00 0.01 0.00 0.00 72.50 71.10 1xsb s THR 76 CO 0.10 0.14 0.90 -0.63 -0.69 0.00 0.00 174.62 174.44 1xsb s ILE 77 N 1.58 4.80 0.11 1.82 -1.09 -1.26 -1.40 121.20 125.77 1xsb s ILE 77 Ca 0.00 1.90 -0.16 0.00 -2.23 0.00 0.00 60.65 60.16 1xsb s ILE 77 Cb -0.15 -4.25 -0.07 0.00 -1.58 0.00 0.00 42.46 36.41 1xsb s ILE 77 CO -0.08 0.24 0.55 -0.63 -1.23 0.00 0.00 174.94 173.79 1xsb s ILE 78 N 0.62 4.81 0.10 2.92 1.09 0.77 -4.98 121.20 126.54 1xsb s ILE 78 Ca 0.47 0.99 0.02 0.00 -1.10 0.00 0.00 60.65 61.03 1xsb s ILE 78 Cb -0.21 -3.80 -0.04 0.00 -1.06 0.00 0.00 42.46 37.35 1xsb s ILE 78 CO 0.26 0.38 0.16 -1.61 -0.10 0.00 0.00 174.94 174.03 1xsb s GLU 79 N -1.59 3.14 0.00 2.79 2.02 -1.26 -4.41 118.70 119.39 1xsb s GLU 79 Ca 0.34 -0.64 0.00 0.00 0.02 0.00 0.00 54.97 54.69 1xsb s GLU 79 Cb -0.17 -2.84 0.00 0.00 0.10 0.00 0.00 34.13 31.22 1xsb s GLU 79 CO 0.19 0.55 0.00 0.41 0.02 0.00 0.00 175.26 176.43 1xsb n GLY 80 N 0.07 3.26 3.48 -1.39 0.00 -1.26 -5.04 105.19 104.32 1xsb n GLY 80 Ca -0.07 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.61 1xsb n GLY 80 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1xsb s PHE 81 N -2.85 3.04 -0.25 1.61 2.19 -1.26 -5.08 117.98 115.37 1xsb s PHE 81 Ca 0.00 -0.36 -0.15 0.00 0.33 0.00 0.00 56.93 56.75 1xsb s PHE 81 Cb 0.00 -2.02 0.07 0.00 -1.31 0.00 0.00 43.02 39.76 1xsb s PHE 81 CO 0.00 -0.13 0.62 0.21 1.83 0.00 0.00 175.22 177.76 1xsb s LYS 82 N 0.66 0.64 -0.28 10.12 2.20 -1.26 -4.65 119.74 127.18 1xsb s LYS 82 Ca -0.01 1.10 -0.23 0.00 -0.36 0.00 0.00 55.97 56.48 1xsb s LYS 82 Cb -0.14 0.12 0.09 0.00 -1.51 0.00 0.00 37.83 36.39 1xsb s LYS 82 CO 0.02 -0.15 0.79 0.50 -0.36 0.00 0.00 175.35 176.16 1xsb s ARG 83 N 1.48 0.72 -0.02 4.03 3.52 -1.25 -5.03 118.95 122.39 1xsb s ARG 83 Ca -0.09 0.95 0.06 0.00 -0.13 0.00 0.00 55.73 56.52 1xsb s ARG 83 Cb -0.06 0.30 -0.03 0.00 -1.56 0.00 0.00 34.95 33.61 1xsb s ARG 83 CO -0.17 -0.10 -0.19 -1.83 -0.81 0.00 0.00 175.30 172.20 1xsb s GLU 84 N 0.68 2.28 -0.33 5.12 1.03 -1.24 -1.60 118.70 124.65 1xsb s GLU 84 Ca -0.02 -0.83 -0.13 0.00 0.03 0.00 0.00 54.97 54.02 1xsb s GLU 84 Cb -0.05 -2.23 -0.02 0.00 -0.80 0.00 0.00 34.13 31.03 1xsb s GLU 84 CO -0.06 0.59 0.25 -0.51 -1.33 0.00 0.00 175.26 174.20 1xsb s LEU 85 N -0.83 4.40 -0.20 1.83 1.43 0.25 -4.73 118.68 120.82 1xsb s LEU 85 Ca 0.12 -0.29 -0.01 0.00 -1.03 0.00 0.00 54.13 52.91 1xsb s LEU 85 Cb -0.10 -2.17 0.01 0.00 0.03 0.00 0.00 46.19 43.96 1xsb s LEU 85 CO 0.01 -0.21 -0.13 0.20 0.23 0.00 0.00 176.35 176.45 1xsb s ASN 86 N 1.73 3.67 0.03 2.29 0.01 -1.26 -1.31 114.94 120.10 1xsb s ASN 86 Ca 0.07 -0.57 -0.16 0.00 -0.71 0.00 0.00 52.86 51.49 1xsb s ASN 86 Cb -0.17 -1.59 0.03 0.00 0.41 0.00 0.00 41.25 39.93 1xsb s ASN 86 CO 0.11 -0.02 0.36 -0.72 -1.51 0.00 0.00 177.10 175.32 1xsb s TYR 87 N 1.36 -0.20 -0.33 2.20 -0.85 -1.23 -4.88 117.35 113.42 1xsb s TYR 87 Ca 0.05 0.15 -0.12 0.00 -0.52 0.00 0.00 57.07 56.63 1xsb s TYR 87 Cb -0.14 0.16 -0.01 0.00 0.38 0.00 0.00 41.96 42.35 1xsb s TYR 87 CO -0.09 -0.52 0.21 0.54 -1.52 0.00 0.00 175.55 174.17 1xsb s VAL 88 N -2.34 5.07 0.00 -3.49 0.11 -1.26 -1.87 120.40 116.62 1xsb s VAL 88 Ca -0.06 -0.29 0.00 0.00 -2.93 0.00 0.00 61.98 58.70 1xsb s VAL 88 Cb -0.01 -3.60 0.00 0.00 -1.53 0.00 0.00 36.38 31.23 1xsb s VAL 88 CO -0.02 0.01 0.00 0.00 -3.33 0.00 0.00 175.10 171.76 1xsb n ALA 89 N 5.07 0.00 -0.13 1.54 0.00 -1.11 -4.67 120.51 121.21 1xsb n ALA 89 Ca -0.13 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.26 1xsb n ALA 89 Cb 0.49 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.96 1xsb n ALA 89 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1xsb h ARG 90 N 0.00 -0.08 0.00 0.00 2.43 -2.04 -3.41 114.38 111.28 1xsb h ARG 90 Ca 0.00 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 1xsb h ARG 90 Cb 0.00 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.57 1xsb h ARG 90 CO 0.00 -0.05 0.00 -1.71 -1.51 0.00 0.00 179.97 176.70 1xsb n ASN 91 N -5.37 0.00 -3.86 -3.80 2.85 -1.26 -5.13 115.26 98.69 1xsb n ASN 91 Ca 0.03 -0.22 -0.16 0.00 -0.11 0.00 0.00 54.58 54.12 1xsb n ASN 91 Cb 0.27 0.00 -0.15 0.00 1.24 0.00 0.00 39.78 41.14 1xsb n ASN 91 CO 0.00 0.00 0.00 -1.59 -2.11 0.00 0.00 177.26 173.56 1xsb s LYS 92 N 0.00 0.27 0.14 1.20 0.00 -1.26 -5.06 119.74 115.03 1xsb s LYS 92 Ca 0.00 -0.00 -0.29 0.00 0.00 0.00 0.00 55.97 55.68 1xsb s LYS 92 Cb 0.00 -0.36 -0.07 0.00 0.00 0.00 0.00 37.83 37.40 1xsb s LYS 92 CO 0.00 -0.05 0.92 -1.25 0.00 0.00 0.00 175.35 174.97 1xsb s PRO 93 N 0.53 4.71 -0.09 1.78 0.04 -1.26 -2.73 135.00 137.96 1xsb s PRO 93 Ca -0.05 1.39 -0.01 0.00 0.04 0.00 0.00 61.00 62.37 1xsb s PRO 93 Cb -0.08 -3.34 0.03 0.00 0.04 0.00 0.00 34.50 31.15 1xsb s PRO 93 CO -0.01 0.34 -0.03 0.21 0.04 0.00 0.00 177.00 177.54 1xsb s LYS 94 N -0.42 1.02 0.03 4.56 2.20 -0.78 -1.17 119.74 125.18 1xsb s LYS 94 Ca 0.43 -0.07 -0.30 0.00 -0.36 0.00 0.00 55.97 55.67 1xsb s LYS 94 Cb -0.24 -1.28 -0.04 0.00 -1.51 0.00 0.00 37.83 34.76 1xsb s LYS 94 CO 0.29 -0.30 1.08 0.99 -0.36 0.00 0.00 175.35 177.05 1xsb s THR 95 N 1.85 4.50 -0.18 3.43 2.01 -0.10 -3.52 115.64 123.63 1xsb s THR 95 Ca 0.05 1.80 0.01 0.00 0.31 0.00 0.00 61.69 63.85 1xsb s THR 95 Cb -0.12 -4.15 0.03 0.00 0.01 0.00 0.00 72.50 68.26 1xsb s THR 95 CO -0.07 0.14 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.17 1xsb s VAL 96 N 1.02 1.77 -0.19 3.82 1.01 -0.43 0.27 120.40 127.68 1xsb s VAL 96 Ca 0.55 -0.88 -0.12 0.00 0.00 0.00 0.00 61.98 61.53 1xsb s VAL 96 Cb -0.25 -1.70 -0.05 0.00 0.00 0.00 0.00 36.38 34.39 1xsb s VAL 96 CO 0.29 0.38 0.23 -0.63 0.00 0.00 0.00 175.10 175.37 1xsb s ILE 97 N 1.38 5.34 -0.11 2.22 -1.09 -0.92 0.85 121.20 128.88 1xsb s ILE 97 Ca 0.03 0.40 0.02 0.00 -2.23 0.00 0.00 60.65 58.87 1xsb s ILE 97 Cb -0.14 -3.57 -0.01 0.00 -1.58 0.00 0.00 42.46 37.16 1xsb s ILE 97 CO -0.10 0.39 -0.18 -0.31 -1.23 0.00 0.00 174.94 173.50 1xsb s TYR 98 N 0.57 2.68 -0.01 3.97 2.02 -0.63 -1.97 117.35 123.98 1xsb s TYR 98 Ca 0.13 -0.78 0.03 0.00 -0.37 0.00 0.00 57.07 56.08 1xsb s TYR 98 Cb -0.12 -1.77 -0.03 0.00 -0.40 0.00 0.00 41.96 39.64 1xsb s TYR 98 CO 0.02 -0.27 -0.10 -1.58 -1.57 0.00 0.00 175.55 172.05 1xsb s TRP 99 N 0.26 2.82 0.20 2.71 0.51 -1.26 -3.88 118.94 120.31 1xsb s TRP 99 Ca -0.13 -0.08 -0.30 0.00 -2.12 0.00 0.00 56.10 53.48 1xsb s TRP 99 Cb -0.16 -1.61 -0.08 0.00 -0.81 0.00 0.00 33.47 30.80 1xsb s TRP 99 CO 0.07 0.32 1.14 -0.51 -0.51 0.00 0.00 176.95 177.46 1xsb s LEU 100 N -1.18 4.48 0.06 2.99 1.43 -1.26 -1.91 118.68 123.30 1xsb s LEU 100 Ca 0.15 2.19 0.02 0.00 -1.03 0.00 0.00 54.13 55.46 1xsb s LEU 100 Cb -0.11 -3.61 -0.03 0.00 0.03 0.00 0.00 46.19 42.47 1xsb s LEU 100 CO 0.05 -0.27 -0.07 0.00 0.23 0.00 0.00 176.35 176.28 1xsb s ALA 101 N -0.35 0.72 -0.12 4.21 0.00 0.28 -0.16 121.76 126.34 1xsb s ALA 101 Ca 0.50 -0.98 -0.00 0.00 0.00 0.00 0.00 51.96 51.47 1xsb s ALA 101 Cb -0.31 0.09 0.02 0.00 0.00 0.00 0.00 23.12 22.92 1xsb s ALA 101 CO 0.37 -0.10 -0.09 -2.00 0.00 0.00 0.00 175.76 173.94 1xsb s GLU 102 N -2.42 1.70 0.08 0.00 2.12 -0.49 0.38 118.70 120.06 1xsb s GLU 102 Ca -0.02 -0.32 -0.30 0.00 0.36 0.00 0.00 54.97 54.68 1xsb s GLU 102 Cb -0.04 -1.71 -0.06 0.00 0.26 0.00 0.00 34.13 32.58 1xsb s GLU 102 CO -0.02 -0.26 1.15 0.14 -0.54 0.00 0.00 175.26 175.73 1xsb s VAL 103 N 1.66 4.10 0.23 3.70 -7.23 -1.26 -0.13 120.40 121.47 1xsb s VAL 103 Ca 0.05 1.57 -0.08 0.00 -1.81 0.00 0.00 61.98 61.72 1xsb s VAL 103 Cb -0.13 -4.01 0.18 0.00 0.56 0.00 0.00 36.38 32.99 1xsb s VAL 103 CO -0.09 0.16 1.85 0.11 -0.31 0.00 0.00 175.10 176.82 1xsb h LYS 104 N 6.40 0.89 -5.65 4.82 1.57 -1.05 -3.42 116.57 120.13 1xsb h LYS 104 Ca -0.42 -0.05 -0.64 0.00 -1.87 0.00 0.00 60.65 57.67 1xsb h LYS 104 Cb 1.21 -0.20 -0.08 0.00 0.08 0.00 0.00 32.23 33.25 1xsb h LYS 104 CO 0.78 0.59 -0.40 0.34 -0.57 0.00 0.00 179.45 180.19 1xsb s ASP 105 N -5.76 6.46 0.16 0.86 2.15 -1.26 -4.98 116.67 114.30 1xsb s ASP 105 Ca -0.13 0.55 -0.12 0.00 0.43 0.00 0.00 52.55 53.28 1xsb s ASP 105 Cb 0.17 -2.13 0.04 0.00 -0.30 0.00 0.00 42.92 40.70 1xsb s ASP 105 CO 0.78 0.32 1.65 0.22 -0.17 0.00 0.00 175.17 177.97 1xsb h TYR 106 N 5.38 0.91 -0.46 -5.34 3.20 -1.99 -1.78 116.97 116.88 1xsb h TYR 106 Ca -0.51 -0.12 0.00 0.00 3.14 0.00 0.00 58.73 61.24 1xsb h TYR 106 Cb 1.21 -0.25 0.00 0.00 1.54 0.00 0.00 36.73 39.23 1xsb h TYR 106 CO 0.70 0.81 0.00 -0.40 -1.64 0.00 0.00 178.16 177.64 1xsb n ASP 107 N -4.40 4.45 -3.65 -2.11 5.68 -1.26 -4.99 116.55 110.27 1xsb n ASP 107 Ca 0.02 -2.62 -0.37 0.00 -0.50 0.00 0.00 54.79 51.32 1xsb n ASP 107 Cb 0.25 -0.61 -0.01 0.00 -1.14 0.00 0.00 41.12 39.61 1xsb n ASP 107 CO 0.00 0.00 0.00 0.55 -1.33 0.00 0.00 177.20 176.42 1xsb n VAL 108 N 0.59 0.88 -1.87 2.12 3.14 -0.67 -4.76 118.33 117.75 1xsb n VAL 108 Ca 0.21 -0.42 -0.38 0.00 -2.96 0.00 0.00 64.34 60.79 1xsb n VAL 108 Cb 0.91 0.00 0.03 0.00 -1.06 0.00 0.00 33.84 33.72 1xsb n VAL 108 CO 0.00 0.00 0.00 -1.83 -6.46 0.00 0.00 176.83 168.54 1xsb s GLU 109 N -0.84 3.36 -0.23 1.45 -1.05 -1.26 -5.00 118.70 115.13 1xsb s GLU 109 Ca 0.51 2.19 0.02 0.00 -0.15 0.00 0.00 54.97 57.54 1xsb s GLU 109 Cb -0.61 -2.37 0.05 0.00 -0.44 0.00 0.00 34.13 30.76 1xsb s GLU 109 CO 0.51 -1.00 -0.10 0.42 0.95 0.00 0.00 175.26 176.05 1xsb s ILE 110 N -1.32 1.83 -0.34 1.83 -1.09 -1.25 -4.43 121.20 116.42 1xsb s ILE 110 Ca 0.68 -1.30 -0.10 0.00 -2.23 0.00 0.00 60.65 57.70 1xsb s ILE 110 Cb -0.39 -1.96 0.01 0.00 -1.58 0.00 0.00 42.46 38.55 1xsb s ILE 110 CO 0.47 0.04 0.17 -0.13 -1.23 0.00 0.00 174.94 174.26 1xsb s ARG 111 N 1.28 3.03 -0.15 2.79 0.52 2.02 -4.89 118.95 123.55 1xsb s ARG 111 Ca -0.05 -0.93 -0.09 0.00 -0.52 0.00 0.00 55.73 54.14 1xsb s ARG 111 Cb -0.18 -3.61 -0.04 0.00 0.52 0.00 0.00 34.95 31.63 1xsb s ARG 111 CO -0.07 -0.57 0.15 -0.51 0.02 0.00 0.00 175.30 174.33 1xsb s LEU 112 N 1.56 4.32 0.80 2.53 1.43 -1.25 -1.33 118.68 126.74 1xsb s LEU 112 Ca 0.03 0.40 -0.09 0.00 -1.03 0.00 0.00 54.13 53.44 1xsb s LEU 112 Cb -0.18 -2.10 0.12 0.00 0.03 0.00 0.00 46.19 44.05 1xsb s LEU 112 CO 0.06 0.31 1.13 -0.44 0.23 0.00 0.00 176.35 177.64 1xsb s SER 113 N -0.48 4.14 0.44 2.29 0.01 -1.26 -4.83 113.70 114.02 1xsb s SER 113 Ca 0.13 0.30 0.19 0.00 1.31 0.00 0.00 55.95 57.88 1xsb s SER 113 Cb -0.12 -0.68 1.14 0.00 0.21 0.00 0.00 66.02 66.57 1xsb s SER 113 CO 0.02 -2.05 1.88 -0.74 0.41 0.00 0.00 173.24 172.76 1xsb h HIS 114 N -0.98 0.43 -0.14 2.43 2.76 -1.98 0.51 115.15 118.17 1xsb h HIS 114 Ca -0.43 0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 57.74 1xsb h HIS 114 Cb 1.28 -0.13 -0.01 0.00 1.55 0.00 0.00 27.41 30.10 1xsb h HIS 114 CO -0.24 0.13 0.04 1.49 -1.30 0.00 0.00 177.93 178.05 1xsb h GLU 115 N 0.34 0.19 -6.22 5.26 4.81 -1.96 -3.40 114.58 113.59 1xsb h GLU 115 Ca 0.43 -0.02 -0.69 0.00 -0.13 0.00 0.00 59.36 58.95 1xsb h GLU 115 Cb 1.14 -0.04 -0.23 0.00 0.63 0.00 0.00 28.75 30.25 1xsb h GLU 115 CO -0.13 0.18 -0.76 -1.01 -0.73 0.00 0.00 179.01 176.56 1xsb s HIS 116 N -5.10 2.75 -0.03 0.92 3.76 0.18 0.22 115.29 117.98 1xsb s HIS 116 Ca -0.06 -0.16 0.04 0.00 -0.15 0.00 0.00 55.06 54.73 1xsb s HIS 116 Cb 0.17 -1.66 -0.05 0.00 1.11 0.00 0.00 32.58 32.15 1xsb s HIS 116 CO 0.70 0.18 0.09 0.00 -0.85 0.00 0.00 174.74 174.86 1xsb n GLN 117 N 2.38 1.09 -3.50 1.40 10.64 -0.41 -3.99 117.38 124.99 1xsb n GLN 117 Ca -0.17 -0.03 -0.13 0.00 -1.83 0.00 0.00 57.00 54.84 1xsb n GLN 117 Cb 0.52 -1.01 -0.04 0.00 -0.86 0.00 0.00 30.24 28.85 1xsb n GLN 117 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1xsb s ALA 118 N -2.09 -1.45 0.06 2.61 0.00 -1.24 -4.99 121.76 114.67 1xsb s ALA 118 Ca -0.01 0.52 -0.00 0.00 0.00 0.00 0.00 51.96 52.47 1xsb s ALA 118 Cb 0.02 0.64 -0.04 0.00 0.00 0.00 0.00 23.12 23.74 1xsb s ALA 118 CO 0.15 -0.64 -0.04 1.52 0.00 0.00 0.00 175.76 176.75 1xsb s TYR 119 N -3.16 0.63 0.01 0.00 1.13 -1.26 0.28 117.35 114.98 1xsb s TYR 119 Ca -0.02 -1.03 -0.04 0.00 -1.41 0.00 0.00 57.07 54.58 1xsb s TYR 119 Cb -0.00 -0.43 -0.01 0.00 -1.10 0.00 0.00 41.96 40.42 1xsb s TYR 119 CO -0.08 -0.32 0.05 1.03 -2.51 0.00 0.00 175.55 173.72 1xsb s ARG 120 N -3.90 0.41 -0.38 -3.49 0.52 -0.58 -4.96 118.95 106.56 1xsb s ARG 120 Ca 0.09 -0.54 -0.08 0.00 -0.52 0.00 0.00 55.73 54.68 1xsb s ARG 120 Cb 0.07 0.16 0.06 0.00 0.52 0.00 0.00 34.95 35.76 1xsb s ARG 120 CO -0.08 -0.09 0.18 -1.58 0.02 0.00 0.00 175.30 173.75 1xsb s TRP 121 N -1.53 3.30 0.37 -0.53 0.52 -1.26 -2.81 118.94 117.01 1xsb s TRP 121 Ca -0.15 -1.46 0.04 0.00 0.02 0.00 0.00 56.10 54.55 1xsb s TRP 121 Cb -0.08 -2.61 -0.05 0.00 -1.15 0.00 0.00 33.47 29.59 1xsb s TRP 121 CO -0.00 -0.78 0.08 -0.51 0.02 0.00 0.00 176.95 175.76 1xsb s LEU 122 N 1.41 2.11 0.00 2.99 1.02 -1.25 -4.94 118.68 120.03 1xsb s LEU 122 Ca 0.01 -1.51 -0.11 0.00 0.02 0.00 0.00 54.13 52.54 1xsb s LEU 122 Cb -0.21 -0.30 0.18 0.00 0.02 0.00 0.00 46.19 45.89 1xsb s LEU 122 CO 0.03 -0.75 1.13 0.61 0.02 0.00 0.00 176.35 177.38 1xsb n GLY 123 N -0.81 -0.92 0.36 -3.19 0.00 -1.26 -1.75 105.19 97.62 1xsb n GLY 123 Ca -0.05 -1.79 0.01 0.00 0.00 0.00 0.00 46.02 44.20 1xsb n GLY 123 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1xsb h LEU 124 N 0.00 1.04 0.32 0.99 5.85 -1.95 0.32 115.31 121.87 1xsb h LEU 124 Ca -0.37 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.35 1xsb h LEU 124 Cb 1.08 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.87 1xsb h LEU 124 CO 0.29 0.68 -0.26 1.05 -0.34 0.00 0.00 178.44 179.86 1xsb h GLU 125 N 1.19 -0.56 -0.22 1.25 4.11 -1.95 0.59 114.58 118.99 1xsb h GLU 125 Ca 0.41 0.04 -0.13 0.00 0.07 0.00 0.00 59.36 59.75 1xsb h GLU 125 Cb 0.09 0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.47 1xsb h GLU 125 CO -0.15 -0.37 -0.37 0.93 0.07 0.00 0.00 179.01 179.11 1xsb h GLU 126 N -0.58 0.64 -0.81 1.06 3.07 -1.86 0.39 114.58 116.49 1xsb h GLU 126 Ca -0.02 -0.40 0.09 0.00 -0.50 0.00 0.00 59.36 58.53 1xsb h GLU 126 Cb 0.51 0.04 -0.05 0.00 -0.84 0.00 0.00 28.75 28.41 1xsb h GLU 126 CO -0.01 1.01 0.53 0.00 -1.40 0.00 0.00 179.01 179.13 1xsb h ALA 127 N 0.63 1.70 -0.15 3.43 0.00 -0.24 0.54 119.26 125.17 1xsb h ALA 127 Ca 0.02 -0.01 -0.23 0.00 0.00 0.00 0.00 54.91 54.69 1xsb h ALA 127 Cb 0.97 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 18.58 1xsb h ALA 127 CO 0.09 0.15 -0.79 0.00 0.00 0.00 0.00 179.25 178.69 1xsb h GLN 129 N 0.54 0.22 -0.22 0.00 -0.00 0.21 -3.01 115.11 112.84 1xsb h GLN 129 Ca -0.06 -0.04 -0.04 0.00 -0.00 0.00 0.00 58.65 58.51 1xsb h GLN 129 Cb 1.42 -0.03 -0.01 0.00 -0.00 0.00 0.00 27.48 28.86 1xsb h GLN 129 CO 0.16 0.31 -0.04 -0.07 -0.00 0.00 0.00 178.83 179.20 1xsb h LEU 130 N 0.08 0.42 -4.35 0.06 3.38 -0.08 -2.92 115.31 111.90 1xsb h LEU 130 Ca 0.05 -0.35 -0.23 0.00 0.09 0.00 0.00 57.88 57.44 1xsb h LEU 130 Cb 0.18 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.77 1xsb h LEU 130 CO -0.00 0.67 0.39 0.00 0.09 0.00 0.00 178.44 179.58 1xsb n ALA 131 N -2.36 5.62 -0.39 1.53 0.00 0.05 -4.18 120.51 120.78 1xsb n ALA 131 Ca -0.04 -1.76 0.33 0.00 0.00 0.00 0.00 53.44 51.98 1xsb n ALA 131 Cb 0.27 -2.47 0.56 0.00 0.00 0.00 0.00 19.45 17.82 1xsb n ALA 131 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xsb n GLN 132 N 2.80 -0.03 -1.68 0.00 10.64 -1.10 -3.71 117.38 124.30 1xsb n GLN 132 Ca 0.41 1.05 -0.47 0.00 -1.83 0.00 0.00 57.00 56.15 1xsb n GLN 132 Cb 0.66 -2.06 -0.04 0.00 -0.86 0.00 0.00 30.24 27.94 1xsb n GLN 132 CO 0.00 0.00 0.00 1.19 -1.83 0.00 0.00 177.06 176.42 1xsb n PHE 133 N -4.37 2.33 -0.20 2.61 3.72 -1.26 -4.82 117.46 115.47 1xsb n PHE 133 Ca 0.34 0.05 0.08 0.00 -0.05 0.00 0.00 57.45 57.86 1xsb n PHE 133 Cb 1.31 -2.64 0.36 0.00 -0.94 0.00 0.00 39.48 37.56 1xsb n PHE 133 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 1xsb h LYS 134 N 8.35 0.72 -0.54 -1.08 3.64 -1.96 -1.24 116.57 124.47 1xsb h LYS 134 Ca -0.48 -0.04 0.08 0.00 -1.27 0.00 0.00 60.65 58.94 1xsb h LYS 134 Cb 1.26 -0.16 -0.06 0.00 -0.41 0.00 0.00 32.23 32.86 1xsb h LYS 134 CO 0.93 0.48 0.19 0.93 -2.27 0.00 0.00 179.45 179.71 1xsb h GLU 135 N 0.74 0.36 -0.03 1.90 5.08 -1.89 0.69 114.58 121.44 1xsb h GLU 135 Ca 0.34 -0.02 -0.15 0.00 -1.00 0.00 0.00 59.36 58.53 1xsb h GLU 135 Cb 0.36 -0.08 0.01 0.00 0.50 0.00 0.00 28.75 29.54 1xsb h GLU 135 CO -0.12 0.24 -0.58 0.52 -1.00 0.00 0.00 179.01 178.06 1xsb h MET 136 N 0.37 0.44 -0.72 2.33 2.86 -1.63 0.52 114.93 119.10 1xsb h MET 136 Ca 0.26 -0.44 0.08 0.00 -2.06 0.00 0.00 59.70 57.54 1xsb h MET 136 Cb 0.30 0.12 -0.05 0.00 0.06 0.00 0.00 31.60 32.03 1xsb h MET 136 CO -0.27 1.09 0.47 0.87 1.06 0.00 0.00 176.91 180.14 1xsb h LYS 137 N -0.04 0.68 -0.03 1.72 1.57 -0.83 1.22 116.57 120.86 1xsb h LYS 137 Ca -0.07 -0.04 -0.04 0.00 -1.87 0.00 0.00 60.65 58.63 1xsb h LYS 137 Cb 1.28 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 33.44 1xsb h LYS 137 CO 0.12 0.45 -0.14 0.00 -0.57 0.00 0.00 179.45 179.31 1xsb h ALA 138 N 1.62 0.06 -0.23 3.86 0.00 0.53 0.33 119.26 125.43 1xsb h ALA 138 Ca 0.32 -0.38 0.02 0.00 0.00 0.00 0.00 54.91 54.88 1xsb h ALA 138 Cb 0.34 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1xsb h ALA 138 CO -0.11 -0.01 0.08 0.00 0.00 0.00 0.00 179.25 179.20 1xsb h ALA 139 N 0.39 0.26 -0.05 0.00 0.00 0.14 1.25 119.26 121.25 1xsb h ALA 139 Ca -0.01 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 1xsb h ALA 139 Cb 0.79 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 1xsb h ALA 139 CO 0.03 -0.34 -0.20 -0.07 0.00 0.00 0.00 179.25 178.67 1xsb h LEU 140 N 0.18 0.07 0.09 0.00 3.38 0.14 -0.46 115.31 118.72 1xsb h LEU 140 Ca 0.10 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 1xsb h LEU 140 Cb 0.07 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1xsb h LEU 140 CO -0.11 0.28 -0.04 1.56 0.09 0.00 0.00 178.44 180.22 1xsb h GLN 141 N 0.07 -0.12 -0.28 1.13 1.08 0.24 -2.96 115.11 114.27 1xsb h GLN 141 Ca 0.01 0.01 -0.08 0.00 -1.45 0.00 0.00 58.65 57.14 1xsb h GLN 141 Cb 0.40 0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 27.84 1xsb h GLN 141 CO 0.03 0.39 -0.19 0.93 -0.95 0.00 0.00 178.83 179.04 1xsb h GLU 142 N -0.71 0.51 0.05 1.46 5.08 0.16 -1.44 114.58 119.69 1xsb h GLU 142 Ca -0.01 -0.17 0.02 0.00 -1.00 0.00 0.00 59.36 58.20 1xsb h GLU 142 Cb 0.56 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.74 1xsb h GLU 142 CO 0.02 0.68 -0.16 0.78 -1.00 0.00 0.00 179.01 179.33 1xsb h GLY 143 N 0.97 -0.25 0.98 -3.84 0.00 -1.13 0.47 103.07 100.28 1xsb h GLY 143 Ca 0.08 0.19 -0.03 0.00 0.00 0.00 0.00 47.33 47.57 1xsb h GLY 143 CO 0.04 -0.16 0.24 0.84 0.00 0.00 0.00 176.54 177.50 1xsb h HIS 144 N -0.29 0.82 -0.62 5.60 -0.00 -1.37 0.06 115.15 119.36 1xsb h HIS 144 Ca 0.04 -0.05 0.04 0.00 -0.00 0.00 0.00 60.37 60.39 1xsb h HIS 144 Cb 0.33 -0.25 -0.05 0.00 -0.00 0.00 0.00 27.41 27.45 1xsb h HIS 144 CO -0.19 0.66 0.36 0.37 -0.00 0.00 0.00 177.93 179.13 1xsb h GLN 145 N 0.75 0.68 0.01 5.26 5.75 -0.60 -2.04 115.11 124.91 1xsb h GLN 145 Ca 0.19 -0.04 -0.00 0.00 -0.15 0.00 0.00 58.65 58.65 1xsb h GLN 145 Cb 0.17 -0.15 0.00 0.00 1.07 0.00 0.00 27.48 28.57 1xsb h GLN 145 CO -0.02 0.45 -0.00 0.35 -2.65 0.00 0.00 178.83 176.96 1xsb h PHE 146 N 0.70 -0.01 -0.87 3.99 3.57 0.28 -3.03 116.94 121.56 1xsb h PHE 146 Ca 0.26 -0.00 0.16 0.00 3.53 0.00 0.00 57.97 61.92 1xsb h PHE 146 Cb 0.09 0.00 -0.07 0.00 2.79 0.00 0.00 35.95 38.77 1xsb h PHE 146 CO -0.07 0.60 0.56 -0.07 -2.23 0.00 0.00 178.31 177.10 1xsb h LEU 147 N -0.62 0.56 -0.12 0.59 3.38 -0.88 1.00 115.31 119.21 1xsb h LEU 147 Ca -0.00 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1xsb h LEU 147 Cb 0.61 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.29 1xsb h LEU 147 CO 0.00 0.27 0.00 0.00 0.09 0.00 0.00 178.44 178.80 1xsb n SER 149 N -1.76 0.71 0.00 0.00 7.64 0.34 -4.59 113.62 115.95 1xsb n SER 149 Ca 0.05 -0.50 0.00 0.00 1.01 0.00 0.00 58.87 59.43 1xsb n SER 149 Cb 0.28 0.33 0.00 0.00 -1.01 0.00 0.00 64.21 63.82 1xsb n SER 149 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 1xsb n ILE 150 N -1.30 0.00 0.72 0.44 5.41 -1.00 -4.85 119.36 118.79 1xsb n ILE 150 Ca 0.07 0.00 0.10 0.00 1.00 0.00 0.00 62.75 63.92 1xsb n ILE 150 Cb 0.34 0.00 0.28 0.00 -0.71 0.00 0.00 39.64 39.55 1xsb n ILE 150 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 176.55 174.71 1xsb n GLU 151 N 0.00 2.07 -1.65 0.38 0.28 -1.26 -4.96 120.64 115.50 1xsb n GLU 151 Ca 0.00 -1.63 -0.41 0.00 -0.16 0.00 0.00 57.16 54.96 1xsb n GLU 151 Cb 0.00 -1.42 0.01 0.00 1.43 0.00 0.00 31.44 31.46 1xsb n GLU 151 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1xsb n ALA 152 N 0.84 0.62 0.23 -1.84 0.00 -1.26 -5.17 120.51 113.92 1xsb n ALA 152 Ca 0.17 0.24 0.02 0.00 0.00 0.00 0.00 53.44 53.87 1xsb n ALA 152 Cb 0.43 -2.16 0.11 0.00 0.00 0.00 0.00 19.45 17.83 1xsb n ALA 152 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39