#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xsa s PRO 2 N 0.00 3.50 0.09 1.61 0.04 -1.26 -5.00 135.00 133.98 1xsa s PRO 2 Ca 0.00 1.45 -0.29 0.00 0.04 0.00 0.00 61.00 62.20 1xsa s PRO 2 Cb 0.00 -2.04 -0.06 0.00 0.04 0.00 0.00 34.50 32.44 1xsa s PRO 2 CO 0.00 -0.70 0.92 -0.51 0.04 0.00 0.00 177.00 176.76 1xsa s LEU 3 N -3.81 4.48 -0.83 -3.56 1.43 -1.26 -3.20 118.68 111.93 1xsa s LEU 3 Ca 0.69 1.71 0.00 0.00 -1.03 0.00 0.00 54.13 55.51 1xsa s LEU 3 Cb -0.20 -3.51 0.00 0.00 0.03 0.00 0.00 46.19 42.51 1xsa s LEU 3 CO 0.26 -0.06 0.00 0.61 0.23 0.00 0.00 176.35 177.39 1xsa n GLY 4 N 2.32 0.86 7.00 -3.19 0.00 -1.26 -4.70 105.19 106.23 1xsa n GLY 4 Ca 0.02 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.38 1xsa n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1xsa n SER 5 N 0.67 0.00 -4.78 1.61 7.64 -1.19 -4.43 113.62 113.13 1xsa n SER 5 Ca -0.08 0.00 -0.31 0.00 1.01 0.00 0.00 58.87 59.49 1xsa n SER 5 Cb 0.31 0.00 0.07 0.00 -1.01 0.00 0.00 64.21 63.58 1xsa n SER 5 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 1xsa s MET 6 N 0.00 2.54 0.07 1.43 -1.94 -1.26 -4.86 119.30 115.27 1xsa s MET 6 Ca 0.00 1.12 -0.13 0.00 -1.71 0.00 0.00 55.69 54.98 1xsa s MET 6 Cb 0.00 -1.93 -0.06 0.00 2.01 0.00 0.00 34.83 34.85 1xsa s MET 6 CO 0.00 -1.42 0.44 0.00 -0.01 0.00 0.00 175.02 174.02 1xsa s ALA 7 N -2.89 3.68 0.01 3.03 0.00 -1.26 -4.97 121.76 119.36 1xsa s ALA 7 Ca 0.61 -0.27 0.00 0.00 0.00 0.00 0.00 51.96 52.30 1xsa s ALA 7 Cb -0.16 -2.37 0.00 0.00 0.00 0.00 0.00 23.12 20.59 1xsa s ALA 7 CO 0.54 0.51 0.00 1.28 0.00 0.00 0.00 175.76 178.09 1xsa n LEU 8 N 1.21 0.04 -4.11 0.00 4.77 -1.26 -4.94 117.00 112.70 1xsa n LEU 8 Ca -0.09 0.02 -0.33 0.00 -0.03 0.00 0.00 56.01 55.57 1xsa n LEU 8 Cb 0.52 -0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 41.45 1xsa n LEU 8 CO 0.41 -0.52 -0.49 -0.60 -1.33 0.00 0.00 177.39 174.86 1xsa s ARG 9 N -1.06 2.69 0.45 3.23 3.52 -1.26 0.11 118.95 126.63 1xsa s ARG 9 Ca 0.00 -1.04 0.07 0.00 -0.13 0.00 0.00 55.73 54.63 1xsa s ARG 9 Cb 0.00 -2.74 -0.01 0.00 -1.56 0.00 0.00 34.95 30.65 1xsa s ARG 9 CO 0.00 -0.37 0.37 0.00 -0.81 0.00 0.00 175.30 174.49 1xsa s ALA 10 N 1.22 4.10 -0.02 6.12 0.00 0.54 -3.02 121.76 130.70 1xsa s ALA 10 Ca -0.01 -1.79 0.01 0.00 0.00 0.00 0.00 51.96 50.17 1xsa s ALA 10 Cb -0.16 -0.87 0.01 0.00 0.00 0.00 0.00 23.12 22.10 1xsa s ALA 10 CO -0.09 -0.29 -0.05 0.00 0.00 0.00 0.00 175.76 175.33 1xsa s GLY 12 N 0.35 2.34 -0.22 0.00 0.00 1.43 -2.58 107.32 108.63 1xsa s GLY 12 Ca -0.04 -2.17 0.02 0.00 0.00 0.00 0.00 44.72 42.53 1xsa s GLY 12 CO -0.00 -2.02 -0.13 1.08 0.00 0.00 0.00 173.10 172.03 1xsa s LEU 13 N -3.72 2.81 -0.95 0.66 1.43 0.23 -2.40 118.68 116.74 1xsa s LEU 13 Ca 0.35 -1.08 -0.24 0.00 -1.03 0.00 0.00 54.13 52.13 1xsa s LEU 13 Cb 0.06 -1.45 -0.06 0.00 0.03 0.00 0.00 46.19 44.76 1xsa s LEU 13 CO 0.19 -0.13 1.96 -0.63 0.23 0.00 0.00 176.35 177.96 1xsa s ILE 14 N 1.22 3.45 0.13 -0.59 -1.09 0.40 -4.26 121.20 120.47 1xsa s ILE 14 Ca -0.03 -0.45 -0.28 0.00 -2.23 0.00 0.00 60.65 57.65 1xsa s ILE 14 Cb -0.17 -4.08 -0.07 0.00 -1.58 0.00 0.00 42.46 36.56 1xsa s ILE 14 CO -0.08 -0.93 0.88 -0.63 -1.23 0.00 0.00 174.94 172.95 1xsa s ILE 15 N 10.38 4.43 0.07 2.92 1.01 -1.26 -0.85 121.20 137.90 1xsa s ILE 15 Ca 0.70 1.92 -0.18 0.00 0.00 0.00 0.00 60.65 63.09 1xsa s ILE 15 Cb -0.06 -4.25 0.04 0.00 0.01 0.00 0.00 42.46 38.20 1xsa s ILE 15 CO 0.02 0.40 0.44 0.72 0.00 0.00 0.00 174.94 176.52 1xsa s PHE 16 N -0.46 -0.29 -0.05 3.97 -0.12 -0.41 -1.57 117.98 119.05 1xsa s PHE 16 Ca 0.42 0.17 0.02 0.00 -0.05 0.00 0.00 56.93 57.49 1xsa s PHE 16 Cb -0.23 0.27 0.01 0.00 -0.63 0.00 0.00 43.02 42.44 1xsa s PHE 16 CO 0.28 -0.64 -0.10 0.50 -0.05 0.00 0.00 175.22 175.22 1xsa s ARG 17 N -2.95 1.27 -0.12 1.99 6.06 -0.75 -2.61 118.95 121.85 1xsa s ARG 17 Ca -0.02 -0.32 -0.08 0.00 -2.50 0.00 0.00 55.73 52.81 1xsa s ARG 17 Cb 0.00 -1.12 -0.04 0.00 0.06 0.00 0.00 34.95 33.85 1xsa s ARG 17 CO -0.06 0.05 0.16 -0.98 -2.50 0.00 0.00 175.30 171.96 1xsa s ARG 18 N 0.52 3.52 0.62 5.12 1.70 -1.25 -1.80 118.95 127.39 1xsa s ARG 18 Ca -0.10 -0.10 -0.02 0.00 -0.47 0.00 0.00 55.73 55.04 1xsa s ARG 18 Cb -0.13 -3.21 0.13 0.00 -0.57 0.00 0.00 34.95 31.17 1xsa s ARG 18 CO 0.02 0.74 0.85 0.00 -1.08 0.00 0.00 175.30 175.83 1xsa h LEU 20 N 0.00 0.40 -7.21 0.00 3.38 -1.99 -3.46 115.31 106.43 1xsa h LEU 20 Ca -0.28 0.07 0.13 0.00 0.09 0.00 0.00 57.88 57.89 1xsa h LEU 20 Cb 1.00 0.01 -0.13 0.00 0.09 0.00 0.00 40.66 41.63 1xsa h LEU 20 CO 0.29 0.22 0.49 -0.51 0.09 0.00 0.00 178.44 179.01 1xsa s ILE 21 N -6.06 0.00 0.45 1.22 2.07 -1.26 -5.08 121.20 112.55 1xsa s ILE 21 Ca -0.13 -0.21 -0.25 0.00 -1.41 0.00 0.00 60.65 58.65 1xsa s ILE 21 Cb 0.18 -1.33 -0.09 0.00 0.13 0.00 0.00 42.46 41.36 1xsa s ILE 21 CO 0.76 0.00 1.32 -2.65 -1.91 0.00 0.00 174.94 172.46 1xsa n PRO 22 N -0.32 1.97 0.00 3.50 -0.02 -1.26 -4.12 135.00 134.74 1xsa n PRO 22 Ca -0.08 0.70 0.00 0.00 -2.02 0.00 0.00 63.50 62.10 1xsa n PRO 22 Cb 0.61 -2.48 0.00 0.00 -0.02 0.00 0.00 33.50 31.62 1xsa n PRO 22 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1xsa n LYS 23 N -0.19 0.00 0.06 -0.52 5.02 -1.26 -4.82 118.16 116.45 1xsa n LYS 23 Ca 0.07 0.00 -0.21 0.00 -2.02 0.00 0.00 58.31 56.14 1xsa n LYS 23 Cb 0.41 0.00 -0.15 0.00 -0.02 0.00 0.00 35.03 35.27 1xsa n LYS 23 CO 0.00 0.00 0.00 -0.39 -0.52 0.00 0.00 177.40 176.49 1xsa h VAL 24 N 0.00 1.35 0.00 -0.18 -1.51 -2.03 -3.44 116.25 110.43 1xsa h VAL 24 Ca 0.00 -2.54 0.00 0.00 -1.23 0.00 0.00 66.70 62.93 1xsa h VAL 24 Cb 0.00 3.06 0.00 0.00 -2.13 0.00 0.00 31.29 32.22 1xsa h VAL 24 CO 0.00 0.74 0.00 0.47 -1.23 0.00 0.00 177.57 177.55 1xsa n ASP 25 N -3.99 0.00 -0.01 4.19 8.00 -1.26 -4.94 116.55 118.55 1xsa n ASP 25 Ca -0.17 -0.36 0.14 0.00 0.71 0.00 0.00 54.79 55.11 1xsa n ASP 25 Cb 0.90 0.00 0.64 0.00 -0.02 0.00 0.00 41.12 42.64 1xsa n ASP 25 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1xsa n ASN 26 N 0.00 0.05 -1.69 -2.24 3.02 -1.26 -4.85 115.26 108.28 1xsa n ASN 26 Ca 0.00 0.23 -0.11 0.00 -0.03 0.00 0.00 54.58 54.67 1xsa n ASN 26 Cb 0.18 -0.38 -0.03 0.00 -0.61 0.00 0.00 39.78 38.94 1xsa n ASN 26 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1xsa n ASN 27 N -1.42 -3.22 0.00 6.41 5.03 -1.26 -1.46 115.26 119.34 1xsa n ASN 27 Ca 0.09 0.26 0.00 0.00 0.87 0.00 0.00 54.58 55.80 1xsa n ASN 27 Cb 0.31 -2.96 0.00 0.00 -1.02 0.00 0.00 39.78 36.11 1xsa n ASN 27 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1xsa n ALA 28 N -0.53 0.00 -2.78 5.41 0.00 -1.26 -4.55 120.51 116.80 1xsa n ALA 28 Ca -0.12 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 52.97 1xsa n ALA 28 Cb 0.45 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.81 1xsa n ALA 28 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1xsa s ILE 29 N -0.03 4.59 0.06 0.00 -1.09 -0.54 0.40 121.20 124.59 1xsa s ILE 29 Ca 0.00 -0.13 0.03 0.00 -2.23 0.00 0.00 60.65 58.32 1xsa s ILE 29 Cb 0.00 -2.99 -0.03 0.00 -1.58 0.00 0.00 42.46 37.86 1xsa s ILE 29 CO 0.00 0.56 -0.09 -1.61 -1.23 0.00 0.00 174.94 172.57 1xsa s GLU 30 N -0.42 0.66 0.03 2.79 2.02 -0.74 -4.48 118.70 118.55 1xsa s GLU 30 Ca 0.09 -0.94 0.02 0.00 0.02 0.00 0.00 54.97 54.16 1xsa s GLU 30 Cb -0.12 -0.37 -0.04 0.00 0.10 0.00 0.00 34.13 33.71 1xsa s GLU 30 CO 0.02 0.06 0.00 -0.06 0.02 0.00 0.00 175.26 175.30 1xsa s PHE 31 N -1.93 3.05 -0.32 1.61 0.08 0.32 -1.80 117.98 118.98 1xsa s PHE 31 Ca -0.03 0.05 -0.10 0.00 0.12 0.00 0.00 56.93 56.97 1xsa s PHE 31 Cb -0.06 -1.63 -0.00 0.00 -0.57 0.00 0.00 43.02 40.76 1xsa s PHE 31 CO -0.00 0.47 0.16 -1.17 -0.10 0.00 0.00 175.22 174.58 1xsa s LEU 32 N -1.80 4.22 0.29 -0.37 2.96 -0.61 -2.21 118.68 121.17 1xsa s LEU 32 Ca 0.22 -0.59 0.09 0.00 -0.22 0.00 0.00 54.13 53.62 1xsa s LEU 32 Cb -0.12 -2.01 -0.04 0.00 0.50 0.00 0.00 46.19 44.52 1xsa s LEU 32 CO 0.13 -0.23 0.05 -0.76 -1.32 0.00 0.00 176.35 174.22 1xsa s LEU 33 N 1.61 3.21 -0.07 -0.68 1.43 -1.22 -4.61 118.68 118.35 1xsa s LEU 33 Ca 0.04 -0.70 0.04 0.00 -1.03 0.00 0.00 54.13 52.48 1xsa s LEU 33 Cb -0.17 -1.71 -0.00 0.00 0.03 0.00 0.00 46.19 44.34 1xsa s LEU 33 CO 0.06 -0.11 -0.22 -0.76 0.23 0.00 0.00 176.35 175.56 1xsa s LEU 34 N -3.73 2.00 -0.43 1.79 1.43 0.42 -3.23 118.68 116.92 1xsa s LEU 34 Ca 0.34 -0.48 -0.14 0.00 -1.03 0.00 0.00 54.13 52.81 1xsa s LEU 34 Cb -0.05 -1.25 0.05 0.00 0.03 0.00 0.00 46.19 44.97 1xsa s LEU 34 CO 0.21 0.17 0.33 -1.58 0.23 0.00 0.00 176.35 175.70 1xsa s GLN 35 N 0.19 2.93 0.40 1.70 0.74 0.41 0.16 119.66 126.19 1xsa s GLN 35 Ca -0.11 -1.19 -0.27 0.00 0.05 0.00 0.00 55.36 53.83 1xsa s GLN 35 Cb -0.15 -4.00 -0.10 0.00 1.10 0.00 0.00 33.01 29.85 1xsa s GLN 35 CO 0.06 -0.87 1.46 0.00 -0.55 0.00 0.00 175.29 175.38 1xsa s ALA 36 N 1.63 3.47 -0.14 1.58 0.00 -0.85 -3.32 121.76 124.13 1xsa s ALA 36 Ca 0.04 1.53 0.19 0.00 0.00 0.00 0.00 51.96 53.72 1xsa s ALA 36 Cb -0.21 -3.60 -0.16 0.00 0.00 0.00 0.00 23.12 19.15 1xsa s ALA 36 CO 0.08 -1.08 0.70 0.45 0.00 0.00 0.00 175.76 175.91 1xsa n SER 37 N 0.27 0.57 -4.52 0.00 2.88 -1.26 -3.79 113.62 107.77 1xsa n SER 37 Ca 0.02 0.24 -0.41 0.00 -1.33 0.00 0.00 58.87 57.40 1xsa n SER 37 Cb 0.40 0.70 -0.10 0.00 -0.75 0.00 0.00 64.21 64.45 1xsa n SER 37 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1xsa s ASP 38 N -5.40 6.08 0.00 -3.46 -1.08 -1.26 -4.72 116.67 106.83 1xsa s ASP 38 Ca -0.04 -0.45 0.00 0.00 -0.52 0.00 0.00 52.55 51.54 1xsa s ASP 38 Cb 0.10 -2.15 0.00 0.00 -1.46 0.00 0.00 42.92 39.41 1xsa s ASP 38 CO 0.83 -0.26 0.00 0.61 0.52 0.00 0.00 175.17 176.87 1xsa n GLY 39 N 5.10 0.86 0.00 2.66 0.00 -1.26 -4.77 105.19 107.78 1xsa n GLY 39 Ca -0.12 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.31 1xsa n GLY 39 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1xsa n ILE 40 N 0.00 0.14 -2.08 -0.61 -6.64 -1.26 -5.04 119.36 103.87 1xsa n ILE 40 Ca 0.00 -0.45 -0.00 0.00 -1.77 0.00 0.00 62.75 60.53 1xsa n ILE 40 Cb 0.00 1.13 0.00 0.00 -1.44 0.00 0.00 39.64 39.33 1xsa n ILE 40 CO 0.00 0.00 0.00 1.41 -1.77 0.00 0.00 176.55 176.19 1xsa n HIS 41 N -0.07 -1.12 -4.62 4.28 8.25 -1.25 -5.05 115.22 115.63 1xsa n HIS 41 Ca 0.00 0.43 -0.32 0.00 -0.26 0.00 0.00 57.72 57.57 1xsa n HIS 41 Cb 0.11 -2.48 -0.12 0.00 1.12 0.00 0.00 29.99 28.62 1xsa n HIS 41 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 1xsa s HIS 42 N -2.92 2.72 0.11 4.41 -3.43 -1.26 -4.88 115.29 110.04 1xsa s HIS 42 Ca 0.01 -0.15 -0.19 0.00 -0.80 0.00 0.00 55.06 53.93 1xsa s HIS 42 Cb -0.00 -1.56 -0.07 0.00 -1.43 0.00 0.00 32.58 29.52 1xsa s HIS 42 CO 0.28 0.29 0.61 -1.58 -2.00 0.00 0.00 174.74 172.34 1xsa s TRP 43 N -0.92 3.77 -0.16 0.38 0.52 -1.26 -2.01 118.94 119.26 1xsa s TRP 43 Ca 0.15 1.29 -0.30 0.00 0.02 0.00 0.00 56.10 57.27 1xsa s TRP 43 Cb -0.11 -2.52 0.12 0.00 -1.15 0.00 0.00 33.47 29.81 1xsa s TRP 43 CO 0.05 0.53 0.97 -0.08 0.02 0.00 0.00 176.95 178.43 1xsa s THR 44 N -1.22 0.00 0.69 2.01 -1.32 0.12 -4.68 115.64 111.25 1xsa s THR 44 Ca 0.33 0.00 -0.11 0.00 -1.21 0.00 0.00 61.69 60.69 1xsa s THR 44 Cb -0.19 -1.00 0.01 0.00 -1.51 0.00 0.00 72.50 69.81 1xsa s THR 44 CO 0.20 0.00 1.07 -2.16 -2.21 0.00 0.00 174.62 171.52 1xsa s PRO 45 N -0.98 2.87 -0.12 7.08 0.04 -1.26 0.16 135.00 142.78 1xsa s PRO 45 Ca -0.02 1.03 -0.38 0.00 0.04 0.00 0.00 61.00 61.67 1xsa s PRO 45 Cb -0.01 -1.98 -0.15 0.00 0.04 0.00 0.00 34.50 32.40 1xsa s PRO 45 CO 0.02 -1.16 1.64 -2.30 0.04 0.00 0.00 177.00 175.25 1xsa n PRO 46 N -3.04 1.38 -3.56 0.56 -0.02 -1.26 -4.79 135.00 124.27 1xsa n PRO 46 Ca 0.08 0.50 -0.15 0.00 -2.02 0.00 0.00 63.50 61.92 1xsa n PRO 46 Cb 0.53 -2.21 -0.06 0.00 -0.02 0.00 0.00 33.50 31.75 1xsa n PRO 46 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1xsa s LYS 47 N 2.61 0.86 0.03 -0.52 2.20 -1.26 -0.60 119.74 123.05 1xsa s LYS 47 Ca 0.92 0.40 -0.13 0.00 -0.36 0.00 0.00 55.97 56.80 1xsa s LYS 47 Cb -0.95 0.41 0.02 0.00 -1.51 0.00 0.00 37.83 35.79 1xsa s LYS 47 CO 0.56 -0.23 0.27 0.20 -0.36 0.00 0.00 175.35 175.80 1xsa s GLY 48 N -0.76 -0.09 1.05 5.54 0.00 -1.06 -4.91 107.32 107.09 1xsa s GLY 48 Ca -0.05 0.00 -0.12 0.00 0.00 0.00 0.00 44.72 44.54 1xsa s GLY 48 CO 0.05 -0.20 1.07 -1.58 0.00 0.00 0.00 173.10 172.44 1xsa s HIS 49 N -2.25 1.76 -0.28 1.90 2.46 -1.26 -2.23 115.29 115.39 1xsa s HIS 49 Ca -0.07 1.20 -0.14 0.00 0.47 0.00 0.00 55.06 56.52 1xsa s HIS 49 Cb -0.02 -3.18 -0.04 0.00 -0.13 0.00 0.00 32.58 29.22 1xsa s HIS 49 CO -0.02 -3.24 0.35 0.54 -2.47 0.00 0.00 174.74 169.91 1xsa s VAL 50 N -2.70 5.19 1.00 0.89 0.11 -1.17 -4.79 120.40 118.93 1xsa s VAL 50 Ca 0.66 0.45 -0.14 0.00 -2.93 0.00 0.00 61.98 60.02 1xsa s VAL 50 Cb -0.22 -3.70 0.19 0.00 -1.53 0.00 0.00 36.38 31.13 1xsa s VAL 50 CO 0.61 0.13 1.15 -1.61 -3.33 0.00 0.00 175.10 172.04 1xsa s GLU 51 N 2.03 0.38 0.00 1.54 0.41 -1.26 -4.68 118.70 117.11 1xsa s GLU 51 Ca 0.14 0.15 0.02 0.00 -0.41 0.00 0.00 54.97 54.86 1xsa s GLU 51 Cb -0.16 -1.76 0.10 0.00 -1.78 0.00 0.00 34.13 30.53 1xsa s GLU 51 CO 0.10 -2.69 0.92 -0.35 -0.49 0.00 0.00 175.26 172.76 1xsa n PRO 52 N -4.08 0.85 -2.70 0.39 -0.04 -1.26 -3.50 135.00 124.66 1xsa n PRO 52 Ca 0.09 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.48 1xsa n PRO 52 Cb 0.59 -1.03 0.05 0.00 -0.04 0.00 0.00 33.50 33.07 1xsa n PRO 52 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1xsa n GLY 53 N 0.37 1.55 0.00 0.55 0.00 -1.26 -5.10 105.19 101.30 1xsa n GLY 53 Ca 0.01 -1.07 0.00 0.00 0.00 0.00 0.00 46.02 44.96 1xsa n GLY 53 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1xsa n GLU 54 N -0.26 0.00 -4.44 1.61 -0.58 -1.23 -5.14 120.64 110.60 1xsa n GLU 54 Ca 0.06 0.00 -0.23 0.00 -0.42 0.00 0.00 57.16 56.58 1xsa n GLU 54 Cb 0.82 0.00 -0.09 0.00 -0.57 0.00 0.00 31.44 31.60 1xsa n GLU 54 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 1xsa s ASP 55 N 0.27 2.32 -0.01 1.62 3.68 -1.26 -4.97 116.67 118.32 1xsa s ASP 55 Ca 0.00 -1.59 -0.12 0.00 2.13 0.00 0.00 52.55 52.97 1xsa s ASP 55 Cb 0.00 0.37 -0.07 0.00 -1.45 0.00 0.00 42.92 41.78 1xsa s ASP 55 CO 0.00 -0.87 0.73 0.44 0.13 0.00 0.00 175.17 175.60 1xsa h ASP 56 N 1.98 -0.36 -0.39 -0.34 3.45 -1.98 -0.99 116.42 117.79 1xsa h ASP 56 Ca -0.35 0.01 -0.07 0.00 0.43 0.00 0.00 57.03 57.05 1xsa h ASP 56 Cb 1.26 0.09 -0.01 0.00 -0.56 0.00 0.00 39.33 40.11 1xsa h ASP 56 CO 0.57 -0.13 -0.04 0.25 -1.57 0.00 0.00 179.24 178.32 1xsa h LEU 57 N -0.68 0.70 -1.62 1.55 5.85 -1.97 -1.67 115.31 117.48 1xsa h LEU 57 Ca -0.04 -0.33 0.15 0.00 0.84 0.00 0.00 57.88 58.50 1xsa h LEU 57 Cb 0.33 -0.19 -0.05 0.00 0.37 0.00 0.00 40.66 41.12 1xsa h LEU 57 CO 0.07 0.87 0.50 -0.33 -0.34 0.00 0.00 178.44 179.21 1xsa h GLU 58 N 0.52 0.36 -0.33 1.25 4.39 -1.97 0.79 114.58 119.59 1xsa h GLU 58 Ca 0.10 -0.02 -0.07 0.00 0.34 0.00 0.00 59.36 59.71 1xsa h GLU 58 Cb 0.53 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.09 1xsa h GLU 58 CO 0.03 0.24 -0.08 1.15 -1.16 0.00 0.00 179.01 179.19 1xsa h THR 59 N 0.37 1.28 -0.49 1.13 2.02 -0.41 0.82 112.91 117.63 1xsa h THR 59 Ca 0.36 -1.12 -0.03 0.00 0.77 0.00 0.00 66.41 66.39 1xsa h THR 59 Cb 0.88 1.33 -0.02 0.00 -1.74 0.00 0.00 68.15 68.60 1xsa h THR 59 CO -0.11 0.37 0.20 0.00 0.37 0.00 0.00 175.52 176.35 1xsa h ALA 60 N 0.81 0.64 -0.62 6.16 0.00 0.64 0.44 119.26 127.32 1xsa h ALA 60 Ca 0.08 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 1xsa h ALA 60 Cb 0.57 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 1xsa h ALA 60 CO 0.03 0.25 0.22 -0.07 0.00 0.00 0.00 179.25 179.68 1xsa h LEU 61 N 0.66 0.86 -0.24 0.00 3.38 0.61 1.37 115.31 121.94 1xsa h LEU 61 Ca 0.16 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 1xsa h LEU 61 Cb 0.20 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 1xsa h LEU 61 CO -0.01 0.79 0.10 -0.09 0.09 0.00 0.00 178.44 179.31 1xsa h ARG 62 N 0.91 0.35 -0.15 1.13 2.43 0.18 -2.44 114.38 116.78 1xsa h ARG 62 Ca 0.21 -0.06 -0.17 0.00 -0.81 0.00 0.00 59.98 59.15 1xsa h ARG 62 Cb 0.23 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.71 1xsa h ARG 62 CO -0.01 0.39 -0.60 0.00 -1.51 0.00 0.00 179.97 178.24 1xsa h ALA 63 N 0.94 0.67 -0.79 2.80 0.00 0.45 -1.42 119.26 121.92 1xsa h ALA 63 Ca 0.08 -0.54 0.14 0.00 0.00 0.00 0.00 54.91 54.59 1xsa h ALA 63 Cb 0.17 -0.07 -0.09 0.00 0.00 0.00 0.00 17.79 17.79 1xsa h ALA 63 CO -0.01 0.71 0.36 1.15 0.00 0.00 0.00 179.25 181.45 1xsa h THR 64 N 0.38 0.69 0.10 0.00 2.02 0.21 2.45 112.91 118.76 1xsa h THR 64 Ca -0.00 -0.18 -0.01 0.00 0.77 0.00 0.00 66.41 66.99 1xsa h THR 64 Cb 1.15 0.13 0.00 0.00 -1.74 0.00 0.00 68.15 67.69 1xsa h THR 64 CO 0.11 0.09 -0.05 -0.61 0.37 0.00 0.00 175.52 175.43 1xsa h GLN 65 N 0.51 -0.13 -0.40 6.66 5.75 -0.41 -2.33 115.11 124.76 1xsa h GLN 65 Ca 0.43 0.01 0.05 0.00 -0.15 0.00 0.00 58.65 58.99 1xsa h GLN 65 Cb 0.64 0.03 -0.02 0.00 1.07 0.00 0.00 27.48 29.19 1xsa h GLN 65 CO -0.38 0.33 0.27 1.49 -2.65 0.00 0.00 178.83 177.88 1xsa h GLU 66 N -0.92 0.34 0.00 1.69 4.57 -0.66 1.89 114.58 121.49 1xsa h GLU 66 Ca -0.01 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.15 1xsa h GLU 66 Cb 0.53 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 29.04 1xsa h GLU 66 CO 0.02 0.22 0.00 0.39 -1.18 0.00 0.00 179.01 178.47 1xsa n GLU 67 N -4.48 0.00 0.00 1.92 4.71 0.82 -3.45 120.64 120.16 1xsa n GLU 67 Ca 0.05 0.04 0.15 0.00 -0.01 0.00 0.00 57.16 57.39 1xsa n GLU 67 Cb 0.21 -0.59 0.75 0.00 -1.01 0.00 0.00 31.44 30.80 1xsa n GLU 67 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1xsa n ALA 68 N -0.63 2.65 -0.99 0.62 0.00 -1.01 -3.68 120.51 117.48 1xsa n ALA 68 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.21 1xsa n ALA 68 Cb 0.00 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.03 1xsa n ALA 68 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xsa n GLY 69 N 1.18 0.40 3.57 0.00 0.00 0.64 0.43 105.19 111.41 1xsa n GLY 69 Ca 0.18 -0.97 -0.36 0.00 0.00 0.00 0.00 46.02 44.87 1xsa n GLY 69 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xsa s ILE 70 N -2.00 4.73 0.41 -0.61 1.01 -0.91 -4.43 121.20 119.40 1xsa s ILE 70 Ca 0.00 -0.04 -0.01 0.00 0.00 0.00 0.00 60.65 60.60 1xsa s ILE 70 Cb 0.00 -3.18 -0.02 0.00 0.01 0.00 0.00 42.46 39.26 1xsa s ILE 70 CO 0.00 0.38 0.64 -1.83 0.00 0.00 0.00 174.94 174.13 1xsa s GLU 71 N 1.02 3.36 0.57 2.79 -1.05 -1.26 -0.65 118.70 123.48 1xsa s GLU 71 Ca 0.05 -0.26 0.31 0.00 -0.15 0.00 0.00 54.97 54.92 1xsa s GLU 71 Cb -0.14 -2.56 1.73 0.00 -0.44 0.00 0.00 34.13 32.72 1xsa s GLU 71 CO 0.03 -0.07 2.18 0.00 0.95 0.00 0.00 175.26 178.36 1xsa h ALA 72 N 0.52 1.32 -0.84 -0.84 0.00 -1.87 -2.22 119.26 115.33 1xsa h ALA 72 Ca -0.48 -0.05 0.18 0.00 0.00 0.00 0.00 54.91 54.56 1xsa h ALA 72 Cb 1.23 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.95 1xsa h ALA 72 CO 0.60 0.07 0.56 0.78 0.00 0.00 0.00 179.25 181.26 1xsa h GLY 73 N 0.47 0.78 -1.80 0.00 0.00 -2.00 0.21 103.07 100.72 1xsa h GLY 73 Ca -0.00 -0.18 0.00 0.00 0.00 0.00 0.00 47.33 47.15 1xsa h GLY 73 CO 0.01 0.03 0.00 0.61 0.00 0.00 0.00 176.54 177.18 1xsa n GLN 74 N -4.49 2.09 -4.44 4.80 10.64 -0.84 -4.93 117.38 120.22 1xsa n GLN 74 Ca 0.17 -1.84 -0.31 0.00 -1.83 0.00 0.00 57.00 53.20 1xsa n GLN 74 Cb 0.63 -1.43 -0.11 0.00 -0.86 0.00 0.00 30.24 28.47 1xsa n GLN 74 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 1xsa s LEU 75 N -1.83 2.88 -0.16 2.61 1.43 0.72 -2.04 118.68 122.29 1xsa s LEU 75 Ca 0.26 -0.37 0.01 0.00 -1.03 0.00 0.00 54.13 53.01 1xsa s LEU 75 Cb 0.19 -1.69 0.01 0.00 0.03 0.00 0.00 46.19 44.73 1xsa s LEU 75 CO 0.28 0.23 -0.18 0.28 0.23 0.00 0.00 176.35 177.18 1xsa s THR 76 N -1.06 2.30 -0.48 5.49 -1.32 -0.49 -4.79 115.64 115.29 1xsa s THR 76 Ca 0.18 -0.88 -0.27 0.00 -1.21 0.00 0.00 61.69 59.50 1xsa s THR 76 Cb -0.11 -1.96 0.03 0.00 -1.51 0.00 0.00 72.50 68.95 1xsa s THR 76 CO 0.09 0.53 1.04 -0.63 -2.21 0.00 0.00 174.62 173.44 1xsa s ILE 77 N 1.00 4.31 0.50 5.08 -1.09 -1.26 -1.68 121.20 128.05 1xsa s ILE 77 Ca -0.02 0.95 0.15 0.00 -2.23 0.00 0.00 60.65 59.50 1xsa s ILE 77 Cb -0.15 -4.54 0.24 0.00 -1.58 0.00 0.00 42.46 36.43 1xsa s ILE 77 CO -0.05 -0.97 2.10 0.40 -1.23 0.00 0.00 174.94 175.19 1xsa h ILE 78 N 6.16 1.04 0.00 2.92 5.03 -1.64 -3.46 117.51 127.56 1xsa h ILE 78 Ca -0.24 -0.20 0.00 0.00 -0.12 0.00 0.00 64.86 64.30 1xsa h ILE 78 Cb 1.07 1.11 0.00 0.00 -3.03 0.00 0.00 36.82 35.97 1xsa h ILE 78 CO 1.09 0.06 0.00 -0.62 -0.68 0.00 0.00 178.15 178.00 1xsa n GLU 79 N -4.47 0.00 0.00 2.37 1.02 -1.23 -4.73 120.64 113.61 1xsa n GLU 79 Ca -0.03 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.11 1xsa n GLU 79 Cb 0.14 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.56 1xsa n GLU 79 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1xsa n GLY 80 N 0.00 0.00 3.50 0.62 0.00 -1.26 -4.42 105.19 103.63 1xsa n GLY 80 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 1xsa n GLY 80 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1xsa s PHE 81 N 0.00 3.15 -0.23 1.61 2.19 -1.26 -5.04 117.98 118.39 1xsa s PHE 81 Ca 0.00 -0.23 -0.04 0.00 0.33 0.00 0.00 56.93 56.99 1xsa s PHE 81 Cb 0.00 -2.31 0.12 0.00 -1.31 0.00 0.00 43.02 39.52 1xsa s PHE 81 CO 0.00 -0.29 0.42 0.21 1.83 0.00 0.00 175.22 177.39 1xsa s LYS 82 N 1.67 0.36 0.21 10.12 2.36 -1.26 -3.89 119.74 129.32 1xsa s LYS 82 Ca 0.06 0.80 -0.08 0.00 -2.55 0.00 0.00 55.97 54.20 1xsa s LYS 82 Cb -0.16 -0.04 -0.02 0.00 -1.05 0.00 0.00 37.83 36.57 1xsa s LYS 82 CO 0.07 -0.48 0.32 1.03 1.55 0.00 0.00 175.35 177.84 1xsa s ARG 83 N 2.61 1.34 -0.58 4.03 1.81 -1.25 -5.02 118.95 121.88 1xsa s ARG 83 Ca 0.07 -1.35 -0.25 0.00 -1.72 0.00 0.00 55.73 52.48 1xsa s ARG 83 Cb -0.14 0.39 0.04 0.00 -0.45 0.00 0.00 34.95 34.79 1xsa s ARG 83 CO -0.15 -0.51 1.01 -1.21 -0.68 0.00 0.00 175.30 173.76 1xsa s GLU 84 N -4.05 3.33 0.03 3.54 8.01 -1.26 -2.71 118.70 125.59 1xsa s GLU 84 Ca 0.26 -0.24 -0.30 0.00 0.01 0.00 0.00 54.97 54.70 1xsa s GLU 84 Cb 0.03 -4.08 -0.05 0.00 -4.31 0.00 0.00 34.13 25.72 1xsa s GLU 84 CO 0.08 -1.61 1.22 -1.17 0.01 0.00 0.00 175.26 173.79 1xsa s LEU 85 N 4.28 4.35 -0.09 1.80 2.96 7.21 -4.67 118.68 134.51 1xsa s LEU 85 Ca 0.32 1.99 0.01 0.00 -0.22 0.00 0.00 54.13 56.23 1xsa s LEU 85 Cb -0.12 -3.57 0.02 0.00 0.50 0.00 0.00 46.19 43.02 1xsa s LEU 85 CO 0.19 -0.52 -0.12 0.20 -1.32 0.00 0.00 176.35 174.78 1xsa s ASN 86 N 1.22 2.09 0.18 3.68 0.02 -1.26 0.23 114.94 121.10 1xsa s ASN 86 Ca 0.59 -0.34 -0.12 0.00 -1.02 0.00 0.00 52.86 51.97 1xsa s ASN 86 Cb -0.29 -0.92 0.00 0.00 0.02 0.00 0.00 41.25 40.07 1xsa s ASN 86 CO 0.27 -0.01 0.37 -0.72 0.02 0.00 0.00 177.10 177.04 1xsa s TYR 87 N 1.04 0.24 -0.33 2.20 1.13 -1.25 -4.83 117.35 115.55 1xsa s TYR 87 Ca -0.07 -0.60 0.07 0.00 -1.41 0.00 0.00 57.07 55.06 1xsa s TYR 87 Cb -0.15 0.10 -0.07 0.00 -1.10 0.00 0.00 41.96 40.74 1xsa s TYR 87 CO -0.01 -0.80 0.30 1.33 -2.51 0.00 0.00 175.55 173.85 1xsa n VAL 88 N -0.27 0.00 0.00 -3.49 0.24 -1.26 -3.42 118.33 110.13 1xsa n VAL 88 Ca -0.08 -0.34 0.00 0.00 -2.04 0.00 0.00 64.34 61.88 1xsa n VAL 88 Cb 0.63 1.00 0.00 0.00 -1.47 0.00 0.00 33.84 34.00 1xsa n VAL 88 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1xsa n ALA 89 N -1.14 0.00 -0.29 2.33 0.00 -1.26 0.25 120.51 120.39 1xsa n ALA 89 Ca 0.01 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.42 1xsa n ALA 89 Cb 0.11 0.00 0.12 0.00 0.00 0.00 0.00 19.45 19.67 1xsa n ALA 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xsa h ARG 90 N 0.00 1.17 0.00 0.00 3.08 -2.06 -3.44 114.38 113.13 1xsa h ARG 90 Ca 0.00 -0.15 0.00 0.00 0.07 0.00 0.00 59.98 59.90 1xsa h ARG 90 Cb 0.00 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 29.83 1xsa h ARG 90 CO 0.00 0.88 0.00 -1.71 -1.07 0.00 0.00 179.97 178.07 1xsa n ASN 91 N -4.32 0.00 -3.71 7.04 2.85 0.68 -5.11 115.26 112.68 1xsa n ASN 91 Ca 0.08 0.00 -0.29 0.00 -0.11 0.00 0.00 54.58 54.27 1xsa n ASN 91 Cb 0.12 0.00 -0.12 0.00 1.24 0.00 0.00 39.78 41.02 1xsa n ASN 91 CO 0.00 0.00 0.00 -0.54 -2.11 0.00 0.00 177.26 174.61 1xsa s LYS 92 N 0.00 1.51 -0.40 1.20 1.02 0.94 -5.02 119.74 118.99 1xsa s LYS 92 Ca 0.00 -2.33 -0.18 0.00 0.02 0.00 0.00 55.97 53.48 1xsa s LYS 92 Cb 0.00 -2.48 -0.18 0.00 -0.52 0.00 0.00 37.83 34.66 1xsa s LYS 92 CO 0.00 -1.22 1.67 -0.35 -0.92 0.00 0.00 175.35 174.53 1xsa n PRO 93 N 3.09 0.83 -3.83 -1.68 -0.04 -1.26 -4.13 135.00 127.98 1xsa n PRO 93 Ca 0.14 -1.24 -0.26 0.00 -0.04 0.00 0.00 63.50 62.09 1xsa n PRO 93 Cb 0.37 -2.52 -0.03 0.00 -0.04 0.00 0.00 33.50 31.28 1xsa n PRO 93 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1xsa s LYS 94 N 5.35 3.47 0.32 0.54 -0.14 -1.22 -4.94 119.74 123.12 1xsa s LYS 94 Ca 0.46 -0.49 -0.26 0.00 -1.36 0.00 0.00 55.97 54.32 1xsa s LYS 94 Cb 0.11 -2.91 -0.10 0.00 -1.68 0.00 0.00 37.83 33.25 1xsa s LYS 94 CO 0.14 0.46 0.95 0.99 -0.76 0.00 0.00 175.35 177.13 1xsa s THR 95 N -1.81 4.17 -0.01 2.17 2.01 0.12 -3.80 115.64 118.49 1xsa s THR 95 Ca 0.36 1.80 0.00 0.00 0.31 0.00 0.00 61.69 64.17 1xsa s THR 95 Cb -0.11 -4.00 0.01 0.00 0.01 0.00 0.00 72.50 68.41 1xsa s THR 95 CO 0.29 0.14 0.01 -0.69 -0.69 0.00 0.00 174.62 173.68 1xsa s VAL 96 N -1.61 0.01 -0.11 3.82 1.01 0.63 0.20 120.40 124.35 1xsa s VAL 96 Ca 0.50 0.05 -0.01 0.00 0.00 0.00 0.00 61.98 62.53 1xsa s VAL 96 Cb -0.19 -0.05 -0.02 0.00 0.00 0.00 0.00 36.38 36.12 1xsa s VAL 96 CO 0.24 0.03 -0.09 -0.63 0.00 0.00 0.00 175.10 174.65 1xsa s ILE 97 N 0.30 3.44 -0.13 2.22 1.01 0.62 1.04 121.20 129.69 1xsa s ILE 97 Ca -0.02 -0.54 0.00 0.00 0.00 0.00 0.00 60.65 60.09 1xsa s ILE 97 Cb -0.04 -2.44 -0.01 0.00 0.01 0.00 0.00 42.46 39.98 1xsa s ILE 97 CO -0.01 0.54 -0.15 -0.31 0.00 0.00 0.00 174.94 175.01 1xsa s TYR 98 N -0.02 2.77 0.20 3.97 1.51 -1.10 0.42 117.35 125.11 1xsa s TYR 98 Ca -0.01 -0.80 0.10 0.00 -1.01 0.00 0.00 57.07 55.34 1xsa s TYR 98 Cb -0.14 -1.84 -0.04 0.00 -0.11 0.00 0.00 41.96 39.82 1xsa s TYR 98 CO 0.03 -0.31 -0.11 -1.58 -1.11 0.00 0.00 175.55 172.47 1xsa s TRP 99 N 0.50 2.57 -0.05 2.71 0.51 -1.01 -3.96 118.94 120.20 1xsa s TRP 99 Ca -0.10 -0.25 -0.27 0.00 -2.12 0.00 0.00 56.10 53.36 1xsa s TRP 99 Cb -0.16 -1.24 -0.03 0.00 -0.81 0.00 0.00 33.47 31.23 1xsa s TRP 99 CO 0.04 0.54 0.85 -0.51 -0.51 0.00 0.00 176.95 177.36 1xsa s LEU 100 N -2.94 4.32 -0.00 2.99 1.43 -1.25 0.15 118.68 123.37 1xsa s LEU 100 Ca 0.25 1.40 0.01 0.00 -1.03 0.00 0.00 54.13 54.76 1xsa s LEU 100 Cb -0.08 -3.32 -0.00 0.00 0.03 0.00 0.00 46.19 42.81 1xsa s LEU 100 CO 0.15 -0.23 -0.03 0.00 0.23 0.00 0.00 176.35 176.47 1xsa s ALA 101 N 1.11 0.28 -0.04 4.21 0.00 -0.03 -1.51 121.76 125.78 1xsa s ALA 101 Ca 0.44 -0.12 0.07 0.00 0.00 0.00 0.00 51.96 52.35 1xsa s ALA 101 Cb -0.19 -0.09 -0.01 0.00 0.00 0.00 0.00 23.12 22.83 1xsa s ALA 101 CO 0.21 0.06 -0.25 -2.00 0.00 0.00 0.00 175.76 173.78 1xsa s GLU 102 N -0.01 2.31 -0.29 0.00 2.12 -0.68 -1.29 118.70 120.87 1xsa s GLU 102 Ca 0.00 -0.90 -0.19 0.00 0.36 0.00 0.00 54.97 54.25 1xsa s GLU 102 Cb -0.02 -2.07 -0.02 0.00 0.26 0.00 0.00 34.13 32.28 1xsa s GLU 102 CO -0.00 0.45 0.56 0.14 -0.54 0.00 0.00 175.26 175.87 1xsa s VAL 103 N -0.35 5.01 -1.22 3.70 -7.23 -1.07 -1.40 120.40 117.84 1xsa s VAL 103 Ca 0.02 0.81 0.17 0.00 -1.81 0.00 0.00 61.98 61.17 1xsa s VAL 103 Cb -0.12 -3.91 0.22 0.00 0.56 0.00 0.00 36.38 33.13 1xsa s VAL 103 CO 0.02 -0.03 1.52 2.29 -0.31 0.00 0.00 175.10 178.58 1xsa n LYS 104 N 5.69 0.13 -3.50 4.82 2.85 -0.87 -4.22 118.16 123.06 1xsa n LYS 104 Ca -0.03 0.17 -0.42 0.00 -1.05 0.00 0.00 58.31 56.98 1xsa n LYS 104 Cb 0.49 -1.50 -0.08 0.00 -0.65 0.00 0.00 35.03 33.30 1xsa n LYS 104 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1xsa s ASP 105 N -2.78 5.82 0.57 -5.58 1.01 -1.26 -4.91 116.67 109.55 1xsa s ASP 105 Ca 0.12 -1.92 0.27 0.00 0.71 0.00 0.00 52.55 51.73 1xsa s ASP 105 Cb 0.11 -2.05 1.61 0.00 1.01 0.00 0.00 42.92 43.60 1xsa s ASP 105 CO 0.28 -0.72 2.13 0.22 0.21 0.00 0.00 175.17 177.29 1xsa h TYR 106 N 8.50 0.00 -0.52 4.23 5.03 -1.98 0.30 116.97 132.53 1xsa h TYR 106 Ca -0.22 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.09 1xsa h TYR 106 Cb 1.08 0.00 0.00 0.00 1.55 0.00 0.00 36.73 39.36 1xsa h TYR 106 CO 0.67 0.00 0.00 -0.25 -1.32 0.00 0.00 178.16 177.26 1xsa n ASP 107 N -3.97 5.02 -4.31 -2.11 8.00 -1.26 -5.01 116.55 112.91 1xsa n ASP 107 Ca 0.01 -2.79 -0.39 0.00 0.71 0.00 0.00 54.79 52.33 1xsa n ASP 107 Cb 0.27 -0.61 0.02 0.00 -0.02 0.00 0.00 41.12 40.77 1xsa n ASP 107 CO 0.00 0.00 0.00 0.55 -0.39 0.00 0.00 177.20 177.36 1xsa n VAL 108 N 0.53 0.58 -3.48 2.53 3.14 0.11 -4.85 118.33 116.88 1xsa n VAL 108 Ca 0.25 -0.50 -0.43 0.00 -2.96 0.00 0.00 64.34 60.71 1xsa n VAL 108 Cb 1.03 -0.16 -0.09 0.00 -1.06 0.00 0.00 33.84 33.56 1xsa n VAL 108 CO 0.00 0.00 0.00 -0.70 -6.46 0.00 0.00 176.83 169.67 1xsa s GLU 109 N -1.25 2.90 -1.24 1.45 2.56 -1.26 -4.98 118.70 116.88 1xsa s GLU 109 Ca 0.60 -1.22 -0.20 0.00 0.00 0.00 0.00 54.97 54.15 1xsa s GLU 109 Cb -0.50 -3.97 0.01 0.00 2.00 0.00 0.00 34.13 31.67 1xsa s GLU 109 CO 0.63 -0.87 1.81 0.42 -0.56 0.00 0.00 175.26 176.68 1xsa s ILE 110 N 1.61 3.87 0.02 -3.70 1.09 -1.25 -4.57 121.20 118.27 1xsa s ILE 110 Ca 0.04 -1.45 -0.30 0.00 -1.10 0.00 0.00 60.65 57.83 1xsa s ILE 110 Cb -0.22 -4.92 -0.05 0.00 -1.06 0.00 0.00 42.46 36.21 1xsa s ILE 110 CO 0.07 -1.60 1.25 -0.13 -0.10 0.00 0.00 174.94 174.44 1xsa s ARG 111 N 5.19 4.37 -0.45 2.79 0.52 1.48 -4.73 118.95 128.12 1xsa s ARG 111 Ca 0.60 1.81 -0.15 0.00 -0.52 0.00 0.00 55.73 57.46 1xsa s ARG 111 Cb 0.02 -3.44 0.06 0.00 0.52 0.00 0.00 34.95 32.11 1xsa s ARG 111 CO 0.09 -0.38 0.36 -0.51 0.02 0.00 0.00 175.30 174.88 1xsa s LEU 112 N 1.62 5.46 0.90 2.53 1.43 -1.26 -0.19 118.68 129.18 1xsa s LEU 112 Ca 0.59 -1.21 -0.14 0.00 -1.03 0.00 0.00 54.13 52.34 1xsa s LEU 112 Cb -0.29 -2.17 0.15 0.00 0.03 0.00 0.00 46.19 43.91 1xsa s LEU 112 CO 0.27 -0.59 1.26 -0.44 0.23 0.00 0.00 176.35 177.08 1xsa s SER 113 N 2.32 3.67 -0.99 2.29 0.01 -1.22 -4.74 113.70 115.04 1xsa s SER 113 Ca 0.04 0.46 -0.24 0.00 1.31 0.00 0.00 55.95 57.52 1xsa s SER 113 Cb -0.23 -0.68 -0.26 0.00 0.21 0.00 0.00 66.02 65.07 1xsa s SER 113 CO 0.07 -2.40 2.52 1.57 0.41 0.00 0.00 173.24 175.42 1xsa n HIS 114 N -3.58 0.40 0.00 2.43 -0.00 -1.26 -2.69 115.22 110.52 1xsa n HIS 114 Ca 0.12 0.26 0.00 0.00 -0.00 0.00 0.00 57.72 58.10 1xsa n HIS 114 Cb 0.60 -1.80 0.00 0.00 -0.00 0.00 0.00 29.99 28.79 1xsa n HIS 114 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.34 176.73 1xsa n GLU 115 N 7.57 0.00 -4.48 1.57 1.02 -1.26 -5.06 120.64 120.00 1xsa n GLU 115 Ca 0.66 0.00 -0.23 0.00 -0.02 0.00 0.00 57.16 57.57 1xsa n GLU 115 Cb 0.07 0.00 -0.10 0.00 -0.02 0.00 0.00 31.44 31.39 1xsa n GLU 115 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 1xsa s HIS 116 N 0.00 2.12 0.00 -0.32 3.76 -1.09 -4.36 115.29 115.39 1xsa s HIS 116 Ca 0.00 -0.70 0.06 0.00 -0.15 0.00 0.00 55.06 54.28 1xsa s HIS 116 Cb 0.00 -1.28 0.10 0.00 1.11 0.00 0.00 32.58 32.52 1xsa s HIS 116 CO 0.00 0.32 0.91 0.94 -0.85 0.00 0.00 174.74 176.06 1xsa n GLN 117 N -0.69 0.00 -3.66 1.40 7.27 -1.23 -4.49 117.38 115.98 1xsa n GLN 117 Ca -0.05 -0.99 -0.07 0.00 0.07 0.00 0.00 57.00 55.97 1xsa n GLN 117 Cb 0.64 -0.00 -0.08 0.00 2.41 0.00 0.00 30.24 33.21 1xsa n GLN 117 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1xsa s ALA 118 N 0.00 -1.47 -0.08 1.69 0.00 -1.21 -4.93 121.76 115.75 1xsa s ALA 118 Ca 0.08 1.88 -0.04 0.00 0.00 0.00 0.00 51.96 53.88 1xsa s ALA 118 Cb 0.10 -1.36 0.04 0.00 0.00 0.00 0.00 23.12 21.89 1xsa s ALA 118 CO -0.04 -0.62 0.19 1.52 0.00 0.00 0.00 175.76 176.81 1xsa s TYR 119 N 2.24 -0.23 0.06 0.00 1.13 -1.26 -0.44 117.35 118.85 1xsa s TYR 119 Ca -0.06 0.59 0.02 0.00 -1.41 0.00 0.00 57.07 56.21 1xsa s TYR 119 Cb -0.10 -0.01 -0.03 0.00 -1.10 0.00 0.00 41.96 40.72 1xsa s TYR 119 CO -0.16 -0.18 -0.07 1.03 -2.51 0.00 0.00 175.55 173.67 1xsa s ARG 120 N 0.99 0.65 -0.43 -3.49 0.52 -1.20 -5.00 118.95 110.99 1xsa s ARG 120 Ca -0.07 -0.99 -0.12 0.00 -0.52 0.00 0.00 55.73 54.02 1xsa s ARG 120 Cb -0.09 -0.25 0.06 0.00 0.52 0.00 0.00 34.95 35.20 1xsa s ARG 120 CO -0.06 0.02 0.30 -1.58 0.02 0.00 0.00 175.30 174.01 1xsa s TRP 121 N -2.31 3.28 0.39 -0.53 0.52 -1.26 -3.43 118.94 115.61 1xsa s TRP 121 Ca -0.01 -1.13 0.04 0.00 0.02 0.00 0.00 56.10 55.01 1xsa s TRP 121 Cb -0.04 -2.92 -0.04 0.00 -1.15 0.00 0.00 33.47 29.33 1xsa s TRP 121 CO -0.02 -0.77 0.08 -0.51 0.02 0.00 0.00 176.95 175.74 1xsa s LEU 122 N 1.55 2.15 0.00 2.99 1.43 -0.94 -4.89 118.68 120.97 1xsa s LEU 122 Ca 0.03 -1.55 -0.11 0.00 -1.03 0.00 0.00 54.13 51.48 1xsa s LEU 122 Cb -0.23 -0.34 0.18 0.00 0.03 0.00 0.00 46.19 45.83 1xsa s LEU 122 CO 0.05 -0.78 1.10 0.61 0.23 0.00 0.00 176.35 177.56 1xsa n GLY 123 N -0.89 -0.87 0.13 -3.19 0.00 -1.26 0.12 105.19 99.23 1xsa n GLY 123 Ca -0.07 -1.79 -0.08 0.00 0.00 0.00 0.00 46.02 44.08 1xsa n GLY 123 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1xsa h LEU 124 N 0.00 -0.26 0.56 0.99 5.85 -1.89 0.61 115.31 121.17 1xsa h LEU 124 Ca -0.36 0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.41 1xsa h LEU 124 Cb 1.06 0.16 0.00 0.00 0.37 0.00 0.00 40.66 42.25 1xsa h LEU 124 CO 0.28 -0.10 -0.30 -0.08 -0.34 0.00 0.00 178.44 177.90 1xsa h GLU 125 N -0.04 -0.77 -0.37 1.25 4.81 -1.93 1.45 114.58 118.98 1xsa h GLU 125 Ca 0.10 0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.37 1xsa h GLU 125 Cb 0.20 0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.73 1xsa h GLU 125 CO -0.23 -0.51 0.14 1.49 -0.73 0.00 0.00 179.01 179.17 1xsa h GLU 126 N -0.80 0.51 -0.21 1.92 4.81 -1.89 3.01 114.58 121.94 1xsa h GLU 126 Ca -0.07 -0.06 -0.04 0.00 -0.13 0.00 0.00 59.36 59.05 1xsa h GLU 126 Cb 0.63 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.90 1xsa h GLU 126 CO 0.10 0.43 -0.04 0.00 -0.73 0.00 0.00 179.01 178.77 1xsa h ALA 127 N 1.65 0.28 -0.10 2.92 0.00 0.85 -0.96 119.26 123.91 1xsa h ALA 127 Ca 0.13 -0.25 -0.11 0.00 0.00 0.00 0.00 54.91 54.69 1xsa h ALA 127 Cb 0.11 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1xsa h ALA 127 CO -0.01 0.05 -0.42 0.00 0.00 0.00 0.00 179.25 178.87 1xsa h GLN 129 N 0.18 0.09 0.08 0.00 5.75 0.59 -1.81 115.11 119.99 1xsa h GLN 129 Ca 0.02 -0.01 -0.26 0.00 -0.15 0.00 0.00 58.65 58.25 1xsa h GLN 129 Cb 0.82 -0.02 0.00 0.00 1.07 0.00 0.00 27.48 29.35 1xsa h GLN 129 CO 0.06 0.06 -1.13 -0.07 -2.65 0.00 0.00 178.83 175.10 1xsa h LEU 130 N 0.09 0.47 0.33 -2.39 3.38 -0.96 -3.33 115.31 112.91 1xsa h LEU 130 Ca 0.13 -0.45 -0.00 0.00 0.09 0.00 0.00 57.88 57.65 1xsa h LEU 130 Cb 0.17 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 1xsa h LEU 130 CO -0.21 1.31 -0.33 0.00 0.09 0.00 0.00 178.44 179.29 1xsa h ALA 131 N 0.64 -0.71 0.00 1.53 0.00 -0.53 -3.39 119.26 116.79 1xsa h ALA 131 Ca -0.12 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1xsa h ALA 131 Cb 1.82 0.48 0.00 0.00 0.00 0.00 0.00 17.79 20.09 1xsa h ALA 131 CO 0.19 -0.94 0.00 0.00 0.00 0.00 0.00 179.25 178.50 1xsa n GLN 132 N -5.45 0.00 -3.89 0.00 10.64 -0.72 -4.88 117.38 113.09 1xsa n GLN 132 Ca -0.09 0.00 -0.36 0.00 -1.83 0.00 0.00 57.00 54.71 1xsa n GLN 132 Cb 0.35 -3.72 -0.07 0.00 -0.86 0.00 0.00 30.24 25.93 1xsa n GLN 132 CO 0.00 0.00 0.00 -0.06 -1.83 0.00 0.00 177.06 175.17 1xsa s PHE 133 N -1.77 3.50 0.20 2.61 0.08 -1.26 -4.99 117.98 116.35 1xsa s PHE 133 Ca 0.00 0.43 -0.10 0.00 0.12 0.00 0.00 56.93 57.37 1xsa s PHE 133 Cb 0.00 -1.99 0.20 0.00 -0.57 0.00 0.00 43.02 40.66 1xsa s PHE 133 CO 0.00 0.57 1.82 -0.22 -0.10 0.00 0.00 175.22 177.29 1xsa h LYS 134 N 5.51 0.68 -0.16 0.44 3.64 -1.96 -0.44 116.57 124.27 1xsa h LYS 134 Ca -0.50 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 58.81 1xsa h LYS 134 Cb 1.20 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.86 1xsa h LYS 134 CO 0.63 0.45 0.00 0.93 -2.27 0.00 0.00 179.45 179.19 1xsa h GLU 135 N 0.70 0.29 -0.35 1.90 3.07 -1.94 -1.94 114.58 116.31 1xsa h GLU 135 Ca 0.28 -0.09 0.02 0.00 -0.50 0.00 0.00 59.36 59.07 1xsa h GLU 135 Cb 0.12 -0.03 -0.03 0.00 -0.84 0.00 0.00 28.75 27.98 1xsa h GLU 135 CO -0.15 0.50 0.19 0.52 -1.40 0.00 0.00 179.01 178.67 1xsa h MET 136 N 0.04 0.38 -0.30 2.33 2.86 -1.87 3.52 114.93 121.89 1xsa h MET 136 Ca 0.05 -0.02 0.04 0.00 -2.06 0.00 0.00 59.70 57.70 1xsa h MET 136 Cb 0.37 -0.09 -0.03 0.00 0.06 0.00 0.00 31.60 31.91 1xsa h MET 136 CO 0.01 0.25 0.09 0.87 1.06 0.00 0.00 176.91 179.19 1xsa h LYS 137 N 0.39 0.20 -0.27 1.72 1.57 -1.03 0.57 116.57 119.72 1xsa h LYS 137 Ca 0.14 -0.01 -0.18 0.00 -1.87 0.00 0.00 60.65 58.73 1xsa h LYS 137 Cb 0.03 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.29 1xsa h LYS 137 CO -0.08 0.14 -0.53 0.00 -0.57 0.00 0.00 179.45 178.41 1xsa h ALA 138 N 1.20 0.43 -0.89 3.86 0.00 -0.69 0.55 119.26 123.72 1xsa h ALA 138 Ca 0.13 -0.51 0.07 0.00 0.00 0.00 0.00 54.91 54.61 1xsa h ALA 138 Cb 0.12 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 17.77 1xsa h ALA 138 CO -0.15 0.63 0.55 0.00 0.00 0.00 0.00 179.25 180.28 1xsa h ALA 139 N 0.66 1.23 -0.06 0.00 0.00 0.73 2.45 119.26 124.28 1xsa h ALA 139 Ca 0.01 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 1xsa h ALA 139 Cb 1.14 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1xsa h ALA 139 CO 0.12 0.29 -0.32 -0.07 0.00 0.00 0.00 179.25 179.27 1xsa h LEU 140 N 1.00 0.38 -0.20 0.00 3.38 0.31 0.95 115.31 121.13 1xsa h LEU 140 Ca 0.39 -0.67 -0.02 0.00 0.09 0.00 0.00 57.88 57.67 1xsa h LEU 140 Cb 0.19 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 1xsa h LEU 140 CO -0.18 0.98 0.04 -0.61 0.09 0.00 0.00 178.44 178.76 1xsa h GLN 141 N -0.20 0.33 -0.38 1.13 4.15 0.90 0.22 115.11 121.25 1xsa h GLN 141 Ca -0.02 -0.08 -0.07 0.00 0.77 0.00 0.00 58.65 59.25 1xsa h GLN 141 Cb 0.98 -0.04 -0.02 0.00 0.21 0.00 0.00 27.48 28.61 1xsa h GLN 141 CO 0.07 0.47 -0.04 0.93 -1.93 0.00 0.00 178.83 178.32 1xsa h GLU 142 N 0.13 0.63 -0.43 1.69 4.39 0.41 -1.73 114.58 119.67 1xsa h GLU 142 Ca 0.06 -0.16 -0.03 0.00 0.34 0.00 0.00 59.36 59.57 1xsa h GLU 142 Cb 0.30 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 28.85 1xsa h GLU 142 CO 0.00 0.68 0.16 0.78 -1.16 0.00 0.00 179.01 179.47 1xsa h GLY 143 N 0.93 0.70 1.67 -3.84 0.00 -0.33 -1.99 103.07 100.21 1xsa h GLY 143 Ca 0.12 -0.40 -0.00 0.00 0.00 0.00 0.00 47.33 47.05 1xsa h GLY 143 CO 0.02 0.37 0.20 0.45 0.00 0.00 0.00 176.54 177.58 1xsa h HIS 144 N 0.55 0.43 -0.13 5.60 3.86 -0.02 -2.38 115.15 123.06 1xsa h HIS 144 Ca 0.14 0.01 0.03 0.00 -1.16 0.00 0.00 60.37 59.39 1xsa h HIS 144 Cb 0.22 -0.14 -0.04 0.00 1.06 0.00 0.00 27.41 28.51 1xsa h HIS 144 CO 0.01 0.29 -0.10 0.37 0.86 0.00 0.00 177.93 179.36 1xsa h GLN 145 N 0.45 -0.10 -0.14 2.45 4.15 -0.55 -0.35 115.11 121.03 1xsa h GLN 145 Ca 0.12 0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.54 1xsa h GLN 145 Cb -0.02 0.02 -0.01 0.00 0.21 0.00 0.00 27.48 27.69 1xsa h GLN 145 CO -0.02 -0.07 0.05 0.35 -1.93 0.00 0.00 178.83 177.21 1xsa h PHE 146 N -0.11 0.21 -0.86 3.99 3.04 -1.33 -2.66 116.94 119.21 1xsa h PHE 146 Ca 0.08 -0.02 0.16 0.00 3.98 0.00 0.00 57.97 62.18 1xsa h PHE 146 Cb 0.23 -0.06 -0.10 0.00 2.56 0.00 0.00 35.95 38.57 1xsa h PHE 146 CO -0.22 0.29 0.43 -0.07 -2.02 0.00 0.00 178.31 176.72 1xsa h LEU 147 N 0.06 0.49 -1.99 0.59 3.38 -1.04 0.83 115.31 117.64 1xsa h LEU 147 Ca 0.05 0.11 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 1xsa h LEU 147 Cb 0.17 0.03 -0.00 0.00 0.09 0.00 0.00 40.66 40.96 1xsa h LEU 147 CO -0.00 0.17 -0.04 0.00 0.09 0.00 0.00 178.44 178.66 1xsa n SER 149 N -4.37 0.12 0.00 0.00 7.64 0.28 -4.05 113.62 113.24 1xsa n SER 149 Ca -0.03 -0.35 0.00 0.00 1.01 0.00 0.00 58.87 59.50 1xsa n SER 149 Cb 0.12 -0.20 0.00 0.00 -1.01 0.00 0.00 64.21 63.12 1xsa n SER 149 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 1xsa n ILE 150 N -1.17 0.00 0.30 0.44 5.41 0.42 -4.92 119.36 119.83 1xsa n ILE 150 Ca 0.15 0.00 0.04 0.00 1.00 0.00 0.00 62.75 63.95 1xsa n ILE 150 Cb 0.23 0.00 0.19 0.00 -0.71 0.00 0.00 39.64 39.36 1xsa n ILE 150 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 1xsa n GLU 151 N 0.00 2.61 0.00 0.38 2.13 -1.26 -4.00 120.64 120.49 1xsa n GLU 151 Ca 0.00 -1.51 -0.15 0.00 0.66 0.00 0.00 57.16 56.15 1xsa n GLU 151 Cb 0.00 -1.69 -0.04 0.00 0.27 0.00 0.00 31.44 29.98 1xsa n GLU 151 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1xsa h ALA 152 N 3.24 0.38 -0.03 4.31 0.00 -1.81 -3.51 119.26 121.85 1xsa h ALA 152 Ca 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 54.91 54.30 1xsa h ALA 152 Cb 1.00 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.77 1xsa h ALA 152 CO 0.17 0.71 0.00 -0.11 0.00 0.00 0.00 179.25 180.02