#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ud3 n GLY 2 N 0.00 2.88 3.70 0.44 0.00 -1.26 -4.98 105.19 105.96 1ud3 n GLY 2 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 1ud3 n GLY 2 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1ud3 n LEU 3 N 0.00 3.56 -4.66 0.99 7.94 -1.26 -4.95 117.00 118.61 1ud3 n LEU 3 Ca 0.00 1.12 -0.33 0.00 -1.11 0.00 0.00 56.01 55.69 1ud3 n LEU 3 Cb 0.00 -1.49 0.13 0.00 0.53 0.00 0.00 43.42 42.59 1ud3 n LEU 3 CO 0.00 -0.20 0.67 0.59 -1.11 0.00 0.00 177.39 177.35 1ud3 n ASN 4 N 2.59 0.66 -4.74 1.96 3.02 -1.26 -4.98 115.26 112.51 1ud3 n ASN 4 Ca 0.12 0.55 -0.35 0.00 -0.03 0.00 0.00 54.58 54.87 1ud3 n ASN 4 Cb 0.33 -1.47 -0.08 0.00 -0.61 0.00 0.00 39.78 37.94 1ud3 n ASN 4 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1ud3 s GLY 5 N -2.16 2.00 -0.07 7.41 0.00 -1.26 -4.91 107.32 108.33 1ud3 s GLY 5 Ca 0.71 -0.71 -0.01 0.00 0.00 0.00 0.00 44.72 44.71 1ud3 s GLY 5 CO 0.53 -0.16 0.00 -1.59 0.00 0.00 0.00 173.10 171.88 1ud3 s THR 6 N -0.27 0.38 0.36 0.90 2.01 -1.26 -4.38 115.64 113.38 1ud3 s THR 6 Ca 0.09 0.12 -0.03 0.00 0.31 0.00 0.00 61.69 62.19 1ud3 s THR 6 Cb -0.12 -0.53 -0.04 0.00 0.01 0.00 0.00 72.50 71.82 1ud3 s THR 6 CO 0.01 0.26 0.61 -0.32 -0.69 0.00 0.00 174.62 174.49 1ud3 s MET 7 N 1.96 3.55 -0.11 4.92 1.75 -0.11 -0.50 119.30 130.76 1ud3 s MET 7 Ca 0.05 -0.09 -0.05 0.00 -1.25 0.00 0.00 55.69 54.35 1ud3 s MET 7 Cb -0.12 -2.58 0.05 0.00 2.84 0.00 0.00 34.83 35.02 1ud3 s MET 7 CO -0.05 0.08 0.24 1.41 -0.65 0.00 0.00 175.02 176.05 1ud3 s MET 8 N -4.18 0.16 -0.60 4.11 1.75 0.27 -0.26 119.30 120.55 1ud3 s MET 8 Ca 0.43 0.63 -0.27 0.00 -1.25 0.00 0.00 55.69 55.23 1ud3 s MET 8 Cb -0.10 -0.10 0.04 0.00 2.84 0.00 0.00 34.83 37.51 1ud3 s MET 8 CO 0.36 -0.23 1.12 -1.14 -0.65 0.00 0.00 175.02 174.49 1ud3 s GLN 9 N 1.87 3.39 -1.49 4.11 0.74 -0.11 -0.79 119.66 127.38 1ud3 s GLN 9 Ca -0.04 -0.04 -0.09 0.00 0.05 0.00 0.00 55.36 55.25 1ud3 s GLN 9 Cb -0.11 -4.06 0.01 0.00 1.10 0.00 0.00 33.01 29.94 1ud3 s GLN 9 CO -0.08 -1.71 2.64 0.98 -0.55 0.00 0.00 175.29 176.57 1ud3 n TYR 10 N 8.28 2.61 0.00 1.67 9.36 -0.86 -1.65 117.16 136.57 1ud3 n TYR 10 Ca 0.05 -2.98 0.00 0.00 3.32 0.00 0.00 57.90 58.29 1ud3 n TYR 10 Cb 0.48 -2.25 0.00 0.00 -0.63 0.00 0.00 39.34 36.94 1ud3 n TYR 10 CO 0.00 0.00 0.00 2.48 0.22 0.00 0.00 176.86 179.56 1ud3 n TYR 11 N 3.22 0.00 -4.06 2.98 0.18 -1.26 -4.77 117.16 113.45 1ud3 n TYR 11 Ca 0.69 0.00 -0.07 0.00 1.88 0.00 0.00 57.90 60.39 1ud3 n TYR 11 Cb 0.26 0.00 -0.10 0.00 -0.38 0.00 0.00 39.34 39.12 1ud3 n TYR 11 CO 0.00 0.00 0.00 -1.83 -2.08 0.00 0.00 176.86 172.95 1ud3 s GLU 12 N -2.00 0.60 0.27 -3.48 4.04 -1.26 -4.27 118.70 112.61 1ud3 s GLU 12 Ca 0.00 -1.14 0.00 0.00 0.04 0.00 0.00 54.97 53.88 1ud3 s GLU 12 Cb 0.00 0.21 0.54 0.00 0.02 0.00 0.00 34.13 34.90 1ud3 s GLU 12 CO 0.00 -0.12 1.82 2.35 -1.84 0.00 0.00 175.26 177.47 1ud3 h TRP 13 N 3.27 1.04 -0.50 4.83 2.91 -1.93 -2.72 115.95 122.85 1ud3 h TRP 13 Ca -0.34 0.03 -0.11 0.00 1.13 0.00 0.00 58.89 59.60 1ud3 h TRP 13 Cb 1.15 -0.32 -0.07 0.00 -0.51 0.00 0.00 29.16 29.41 1ud3 h TRP 13 CO 0.54 0.38 0.15 0.72 -1.03 0.00 0.00 178.44 179.19 1ud3 n HIS 14 N -4.69 1.68 -1.14 2.65 8.25 -1.26 -4.94 115.22 115.77 1ud3 n HIS 14 Ca 0.18 -0.80 -0.35 0.00 -0.26 0.00 0.00 57.72 56.49 1ud3 n HIS 14 Cb 0.37 -0.50 0.10 0.00 1.12 0.00 0.00 29.99 31.08 1ud3 n HIS 14 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1ud3 n LEU 15 N 0.10 2.04 -4.75 2.41 4.77 -1.03 -4.83 117.00 115.70 1ud3 n LEU 15 Ca 0.27 0.55 -0.40 0.00 -0.03 0.00 0.00 56.01 56.39 1ud3 n LEU 15 Cb 1.05 -1.32 -0.04 0.00 -2.33 0.00 0.00 43.42 40.77 1ud3 n LEU 15 CO 0.29 -2.65 0.81 -1.61 -1.33 0.00 0.00 177.39 172.90 1ud3 s GLU 16 N -3.39 4.60 -1.37 3.23 0.41 -1.26 -4.94 118.70 115.99 1ud3 s GLU 16 Ca 0.67 1.83 -0.09 0.00 -0.41 0.00 0.00 54.97 56.97 1ud3 s GLU 16 Cb -0.31 -3.20 0.10 0.00 -1.78 0.00 0.00 34.13 28.94 1ud3 s GLU 16 CO 0.57 0.14 2.24 -1.71 -0.49 0.00 0.00 175.26 176.01 1ud3 n ASN 17 N 1.44 6.36 -0.71 -0.19 5.15 -1.26 -4.48 115.26 121.57 1ud3 n ASN 17 Ca -0.00 -3.01 0.08 0.00 -0.60 0.00 0.00 54.58 51.05 1ud3 n ASN 17 Cb 0.45 -1.48 0.12 0.00 -0.53 0.00 0.00 39.78 38.34 1ud3 n ASN 17 CO 0.00 0.00 0.00 -0.90 1.40 0.00 0.00 177.26 177.76 1ud3 n ASP 18 N 3.47 2.64 -1.55 1.20 5.75 -1.26 -4.98 116.55 121.81 1ud3 n ASP 18 Ca 0.54 -1.77 -0.20 0.00 -0.01 0.00 0.00 54.79 53.35 1ud3 n ASP 18 Cb 0.31 -0.12 -0.09 0.00 -1.03 0.00 0.00 41.12 40.20 1ud3 n ASP 18 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ud3 n GLY 19 N 0.87 1.94 0.47 6.12 0.00 -0.97 -4.84 105.19 108.77 1ud3 n GLY 19 Ca 0.11 -0.03 0.05 0.00 0.00 0.00 0.00 46.02 46.16 1ud3 n GLY 19 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1ud3 n GLN 20 N -2.37 1.32 -0.22 1.61 1.13 -1.24 -3.97 117.38 113.63 1ud3 n GLN 20 Ca -0.20 -1.43 -0.03 0.00 -1.94 0.00 0.00 57.00 53.39 1ud3 n GLN 20 Cb 0.67 -1.21 0.07 0.00 0.11 0.00 0.00 30.24 29.88 1ud3 n GLN 20 CO 0.00 0.00 0.00 1.25 -1.44 0.00 0.00 177.06 176.87 1ud3 h HIS 21 N 1.92 0.72 -0.58 1.08 2.76 -1.71 -0.98 115.15 118.36 1ud3 h HIS 21 Ca 0.00 0.02 0.03 0.00 -2.20 0.00 0.00 60.37 58.22 1ud3 h HIS 21 Cb 0.53 -0.23 -0.04 0.00 1.55 0.00 0.00 27.41 29.22 1ud3 h HIS 21 CO 0.08 0.39 0.35 -1.49 -1.30 0.00 0.00 177.93 175.96 1ud3 h TRP 22 N 0.74 0.64 -0.90 5.26 -0.00 -1.64 -0.36 115.95 119.70 1ud3 h TRP 22 Ca 0.27 0.02 0.01 0.00 -0.00 0.00 0.00 58.89 59.18 1ud3 h TRP 22 Cb 0.07 -0.21 -0.04 0.00 -0.00 0.00 0.00 29.16 28.97 1ud3 h TRP 22 CO -0.06 0.36 0.58 -0.91 -0.00 0.00 0.00 178.44 178.41 1ud3 h ASN 23 N 0.68 1.04 -0.49 -3.49 2.35 -1.63 -0.19 115.58 113.84 1ud3 h ASN 23 Ca 0.24 -0.04 -0.02 0.00 -0.55 0.00 0.00 56.30 55.93 1ud3 h ASN 23 Cb 0.04 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.13 1ud3 h ASN 23 CO -0.11 0.77 0.23 0.03 -1.65 0.00 0.00 177.43 176.70 1ud3 h ARG 24 N 1.22 0.72 -0.51 0.81 3.08 -0.12 -1.69 114.38 117.89 1ud3 h ARG 24 Ca 0.33 -0.11 0.01 0.00 0.07 0.00 0.00 59.98 60.27 1ud3 h ARG 24 Cb -0.12 -0.13 -0.03 0.00 0.08 0.00 0.00 29.97 29.78 1ud3 h ARG 24 CO -0.07 0.61 0.34 1.25 -1.07 0.00 0.00 179.97 181.03 1ud3 h LEU 25 N 0.65 0.58 -0.14 3.04 5.85 -0.37 0.21 115.31 125.13 1ud3 h LEU 25 Ca 0.17 -0.01 0.04 0.00 0.84 0.00 0.00 57.88 58.92 1ud3 h LEU 25 Cb 0.13 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 40.97 1ud3 h LEU 25 CO -0.02 0.41 -0.17 -0.74 -0.34 0.00 0.00 178.44 177.58 1ud3 h HIS 26 N 0.68 -0.44 0.00 1.25 2.76 -0.69 -2.11 115.15 116.60 1ud3 h HIS 26 Ca 0.19 0.02 -0.04 0.00 -2.20 0.00 0.00 60.37 58.35 1ud3 h HIS 26 Cb -0.07 0.22 -0.01 0.00 1.55 0.00 0.00 27.41 29.10 1ud3 h HIS 26 CO -0.04 -0.24 -0.18 -0.44 -1.30 0.00 0.00 177.93 175.72 1ud3 h ASP 27 N -0.21 0.00 0.62 3.26 3.32 -0.83 -3.02 116.42 119.56 1ud3 h ASP 27 Ca 0.10 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.15 1ud3 h ASP 27 Cb 0.36 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.91 1ud3 h ASP 27 CO -0.26 0.18 -0.38 -0.67 -1.72 0.00 0.00 179.24 176.39 1ud3 n ASP 28 N -3.58 0.38 -0.09 6.45 2.03 0.02 -4.49 116.55 117.27 1ud3 n ASP 28 Ca -0.01 -0.07 -0.13 0.00 0.52 0.00 0.00 54.79 55.10 1ud3 n ASP 28 Cb 0.32 0.06 -0.09 0.00 -0.72 0.00 0.00 41.12 40.70 1ud3 n ASP 28 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1ud3 h ALA 29 N 3.00 -0.74 -0.49 -1.67 0.00 -1.28 0.86 119.26 118.94 1ud3 h ALA 29 Ca 0.00 -0.01 0.07 0.00 0.00 0.00 0.00 54.91 54.97 1ud3 h ALA 29 Cb 0.50 1.03 -0.06 0.00 0.00 0.00 0.00 17.79 19.26 1ud3 h ALA 29 CO 0.00 -1.02 0.16 0.00 0.00 0.00 0.00 179.25 178.38 1ud3 h ALA 30 N -0.02 0.59 -0.67 0.00 0.00 -1.83 -0.98 119.26 116.35 1ud3 h ALA 30 Ca 0.07 0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.98 1ud3 h ALA 30 Cb 0.63 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.45 1ud3 h ALA 30 CO -0.53 -0.24 0.14 0.00 0.00 0.00 0.00 179.25 178.62 1ud3 h ALA 31 N 1.34 0.99 -0.37 0.00 0.00 -1.71 -1.40 119.26 118.11 1ud3 h ALA 31 Ca 0.24 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 1ud3 h ALA 31 Cb 0.27 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1ud3 h ALA 31 CO -0.26 0.65 0.02 -0.07 0.00 0.00 0.00 179.25 179.59 1ud3 h LEU 32 N 1.01 0.62 0.46 0.00 3.38 -0.29 -1.22 115.31 119.27 1ud3 h LEU 32 Ca 0.21 -0.29 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 1ud3 h LEU 32 Cb 0.39 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1ud3 h LEU 32 CO 0.01 0.76 -0.22 -1.28 0.09 0.00 0.00 178.44 177.79 1ud3 h SER 33 N 0.46 -0.52 -0.91 -0.43 0.87 -1.04 -0.80 113.55 111.18 1ud3 h SER 33 Ca 0.11 0.01 0.19 0.00 -1.23 0.00 0.00 61.79 60.86 1ud3 h SER 33 Cb 0.43 0.13 -0.07 0.00 -0.44 0.00 0.00 62.40 62.45 1ud3 h SER 33 CO 0.01 -0.36 0.59 -0.78 -0.53 0.00 0.00 176.83 175.77 1ud3 h ASP 34 N -0.64 0.51 1.22 6.23 1.82 -1.21 0.36 116.42 124.72 1ud3 h ASP 34 Ca -0.06 0.05 0.00 0.00 -0.39 0.00 0.00 57.03 56.63 1ud3 h ASP 34 Cb 0.48 -0.05 0.00 0.00 0.68 0.00 0.00 39.33 40.45 1ud3 h ASP 34 CO 0.10 0.21 0.00 0.00 -1.61 0.00 0.00 179.24 177.95 1ud3 h ALA 35 N 1.61 1.00 0.00 -0.78 0.00 -0.77 -3.46 119.26 116.86 1ud3 h ALA 35 Ca 0.48 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.39 1ud3 h ALA 35 Cb 1.03 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.82 1ud3 h ALA 35 CO -0.21 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.45 1ud3 n GLY 36 N 0.32 1.22 3.70 0.00 0.00 0.11 -4.35 105.19 106.19 1ud3 n GLY 36 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 1ud3 n GLY 36 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ud3 s ILE 37 N -1.96 4.95 -0.22 -0.61 -1.09 -0.35 -4.34 121.20 117.58 1ud3 s ILE 37 Ca 0.00 1.65 0.07 0.00 -2.23 0.00 0.00 60.65 60.14 1ud3 s ILE 37 Cb 0.00 -4.14 -0.09 0.00 -1.58 0.00 0.00 42.46 36.65 1ud3 s ILE 37 CO 0.00 0.15 0.25 0.35 -1.23 0.00 0.00 174.94 174.45 1ud3 n THR 38 N 4.17 0.00 -3.76 2.92 -2.24 0.34 -4.10 114.28 111.62 1ud3 n THR 38 Ca 0.03 -0.28 -0.12 0.00 -2.27 0.00 0.00 64.05 61.40 1ud3 n THR 38 Cb 0.50 0.77 -0.12 0.00 -2.10 0.00 0.00 70.33 69.38 1ud3 n THR 38 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ud3 s ALA 39 N -1.95 -0.65 -0.17 6.98 0.00 -0.93 -0.57 121.76 124.47 1ud3 s ALA 39 Ca 0.01 0.88 -0.01 0.00 0.00 0.00 0.00 51.96 52.84 1ud3 s ALA 39 Cb 0.05 -0.54 -0.01 0.00 0.00 0.00 0.00 23.12 22.63 1ud3 s ALA 39 CO 0.29 -0.16 -0.11 0.42 0.00 0.00 0.00 175.76 176.20 1ud3 s ILE 40 N 0.61 2.99 -0.39 0.00 -1.09 0.37 -0.56 121.20 123.12 1ud3 s ILE 40 Ca -0.04 -0.65 -0.17 0.00 -2.23 0.00 0.00 60.65 57.56 1ud3 s ILE 40 Cb -0.05 -2.29 0.01 0.00 -1.58 0.00 0.00 42.46 38.54 1ud3 s ILE 40 CO -0.04 0.49 0.43 0.86 -1.23 0.00 0.00 174.94 175.45 1ud3 s TRP 41 N 0.90 3.18 0.23 3.97 -0.00 0.03 -1.27 118.94 125.99 1ud3 s TRP 41 Ca -0.03 -0.19 -0.08 0.00 -0.00 0.00 0.00 56.10 55.80 1ud3 s TRP 41 Cb -0.15 -2.83 -0.07 0.00 -0.00 0.00 0.00 33.47 30.42 1ud3 s TRP 41 CO -0.00 -0.60 0.54 0.96 -0.00 0.00 0.00 176.95 177.85 1ud3 s ILE 42 N 2.14 4.97 1.00 5.86 -4.36 -0.70 -2.04 121.20 128.07 1ud3 s ILE 42 Ca 0.13 0.37 -0.12 0.00 -0.26 0.00 0.00 60.65 60.77 1ud3 s ILE 42 Cb -0.17 -3.64 0.19 0.00 1.25 0.00 0.00 42.46 40.10 1ud3 s ILE 42 CO 0.13 -0.10 1.09 -2.16 0.24 0.00 0.00 174.94 174.14 1ud3 s PRO 43 N -2.93 0.38 -0.09 0.37 0.04 -1.26 -2.63 135.00 128.89 1ud3 s PRO 43 Ca 0.46 0.54 -0.37 0.00 0.04 0.00 0.00 61.00 61.67 1ud3 s PRO 43 Cb -0.11 -1.73 -0.15 0.00 0.04 0.00 0.00 34.50 32.55 1ud3 s PRO 43 CO 0.23 -2.77 1.63 -2.30 0.04 0.00 0.00 177.00 173.84 1ud3 n PRO 44 N -4.20 1.45 -0.00 0.56 -0.02 -1.26 -4.43 135.00 127.10 1ud3 n PRO 44 Ca 0.05 0.53 0.13 0.00 -2.02 0.00 0.00 63.50 62.19 1ud3 n PRO 44 Cb 0.57 -2.24 0.39 0.00 -0.02 0.00 0.00 33.50 32.20 1ud3 n PRO 44 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ud3 n ALA 45 N 4.57 2.54 -2.64 3.55 0.00 -1.26 -4.75 120.51 122.52 1ud3 n ALA 45 Ca 0.22 -0.52 -0.20 0.00 0.00 0.00 0.00 53.44 52.94 1ud3 n ALA 45 Cb 0.19 -1.05 -0.01 0.00 0.00 0.00 0.00 19.45 18.58 1ud3 n ALA 45 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 1ud3 s TYR 46 N -2.00 3.26 -0.01 0.00 -0.85 -1.26 -4.33 117.35 112.16 1ud3 s TYR 46 Ca 0.35 -0.08 -0.33 0.00 -0.52 0.00 0.00 57.07 56.49 1ud3 s TYR 46 Cb 0.21 -1.87 -0.11 0.00 0.38 0.00 0.00 41.96 40.57 1ud3 s TYR 46 CO 0.32 0.12 1.89 1.17 -1.52 0.00 0.00 175.55 177.53 1ud3 n LYS 47 N -1.61 2.46 -1.11 -3.49 3.00 0.27 -4.86 118.16 112.83 1ud3 n LYS 47 Ca -0.03 0.90 -0.01 0.00 -0.00 0.00 0.00 58.31 59.17 1ud3 n LYS 47 Cb 0.58 -2.78 0.01 0.00 0.00 0.00 0.00 35.03 32.83 1ud3 n LYS 47 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1ud3 n GLY 48 N 4.37 1.83 0.38 3.14 0.00 -1.26 -0.77 105.19 112.89 1ud3 n GLY 48 Ca 0.21 -2.12 0.20 0.00 0.00 0.00 0.00 46.02 44.31 1ud3 n GLY 48 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1ud3 h ASN 49 N 0.00 0.00 -5.05 1.61 -1.24 -0.80 -3.41 115.58 106.70 1ud3 h ASN 49 Ca -0.02 0.00 -0.03 0.00 0.71 0.00 0.00 56.30 56.96 1ud3 h ASN 49 Cb 0.09 0.00 -0.12 0.00 0.73 0.00 0.00 38.32 39.02 1ud3 h ASN 49 CO 0.03 0.00 0.07 -0.94 -1.29 0.00 0.00 177.43 175.30 1ud3 s SER 50 N -5.97 -0.37 0.28 1.15 1.04 -1.26 -4.86 113.70 103.71 1ud3 s SER 50 Ca -0.05 -0.24 0.01 0.00 0.48 0.00 0.00 55.95 56.15 1ud3 s SER 50 Cb 0.19 0.56 0.62 0.00 0.10 0.00 0.00 66.02 67.48 1ud3 s SER 50 CO 0.68 -0.96 1.74 -0.61 0.98 0.00 0.00 173.24 175.07 1ud3 h GLN 51 N 2.17 0.54 0.00 4.02 4.15 -1.84 -0.48 115.11 123.66 1ud3 h GLN 51 Ca -0.32 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.07 1ud3 h GLN 51 Cb 1.28 -0.12 0.00 0.00 0.21 0.00 0.00 27.48 28.85 1ud3 h GLN 51 CO 0.40 0.36 0.00 0.00 -1.93 0.00 0.00 178.83 177.66 1ud3 n ALA 52 N -2.44 2.40 -1.74 3.38 0.00 -1.26 -1.93 120.51 118.92 1ud3 n ALA 52 Ca 0.19 -0.14 -0.42 0.00 0.00 0.00 0.00 53.44 53.08 1ud3 n ALA 52 Cb 0.52 -1.45 -0.01 0.00 0.00 0.00 0.00 19.45 18.51 1ud3 n ALA 52 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1ud3 n ASP 53 N -1.25 3.72 0.29 0.00 -0.08 -0.19 -4.84 116.55 114.20 1ud3 n ASP 53 Ca 0.14 1.16 0.19 0.00 -1.51 0.00 0.00 54.79 54.78 1ud3 n ASP 53 Cb 0.21 -1.58 0.94 0.00 2.34 0.00 0.00 41.12 43.02 1ud3 n ASP 53 CO 0.00 0.00 0.00 0.58 0.12 0.00 0.00 177.20 177.90 1ud3 h VAL 54 N 3.24 0.00 0.00 5.18 2.07 -1.89 -3.41 116.25 121.44 1ud3 h VAL 54 Ca -0.47 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 66.85 1ud3 h VAL 54 Cb 1.23 1.14 0.00 0.00 -1.52 0.00 0.00 31.29 32.15 1ud3 h VAL 54 CO 0.76 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.96 1ud3 n GLY 55 N -0.63 1.60 0.14 2.17 0.00 -1.26 -4.52 105.19 102.70 1ud3 n GLY 55 Ca -0.01 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.13 1ud3 n GLY 55 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1ud3 h TYR 56 N 0.00 0.00 -0.99 1.61 0.05 -1.93 -3.27 116.97 112.44 1ud3 h TYR 56 Ca 0.00 0.00 -0.58 0.00 0.05 0.00 0.00 58.73 58.20 1ud3 h TYR 56 Cb 0.00 0.00 -0.14 0.00 1.01 0.00 0.00 36.73 37.60 1ud3 h TYR 56 CO 0.00 0.00 1.28 0.41 -1.05 0.00 0.00 178.16 178.80 1ud3 n GLY 57 N 1.23 4.60 3.64 3.88 0.00 -1.26 -4.93 105.19 112.36 1ud3 n GLY 57 Ca 0.05 -1.89 -0.49 0.00 0.00 0.00 0.00 46.02 43.68 1ud3 n GLY 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ud3 n ALA 58 N 1.43 0.87 -0.07 4.61 0.00 -1.24 -0.14 120.51 125.96 1ud3 n ALA 58 Ca 0.55 0.20 -0.07 0.00 0.00 0.00 0.00 53.44 54.12 1ud3 n ALA 58 Cb 0.44 -2.51 -0.02 0.00 0.00 0.00 0.00 19.45 17.36 1ud3 n ALA 58 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 1ud3 n TYR 59 N 7.42 0.21 -3.81 0.00 9.36 0.05 -1.02 117.16 129.38 1ud3 n TYR 59 Ca 0.26 0.09 -0.29 0.00 3.32 0.00 0.00 57.90 61.29 1ud3 n TYR 59 Cb 0.28 -0.51 -0.16 0.00 -0.63 0.00 0.00 39.34 38.33 1ud3 n TYR 59 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 1ud3 s ASP 60 N -5.61 3.54 0.52 2.98 2.15 -0.42 -4.79 116.67 115.04 1ud3 s ASP 60 Ca -0.22 -1.17 0.35 0.00 0.43 0.00 0.00 52.55 51.93 1ud3 s ASP 60 Cb 0.03 -0.88 1.81 0.00 -0.30 0.00 0.00 42.92 43.58 1ud3 s ASP 60 CO 0.33 -0.31 2.06 -0.07 -0.17 0.00 0.00 175.17 177.00 1ud3 h LEU 61 N 8.09 0.00 -0.83 -1.34 3.38 -1.93 -1.50 115.31 121.19 1ud3 h LEU 61 Ca -0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.81 1ud3 h LEU 61 Cb 1.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.83 1ud3 h LEU 61 CO 0.40 0.00 -0.33 -1.22 0.09 0.00 0.00 178.44 177.38 1ud3 n TYR 62 N -2.77 0.00 -3.44 1.13 4.01 -1.26 -4.73 117.16 110.11 1ud3 n TYR 62 Ca -0.02 0.00 -0.44 0.00 -0.16 0.00 0.00 57.90 57.29 1ud3 n TYR 62 Cb 0.10 -0.05 -0.05 0.00 -0.31 0.00 0.00 39.34 39.03 1ud3 n TYR 62 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 1ud3 s ASP 63 N -2.43 6.20 -0.26 7.72 -1.08 -0.57 -4.92 116.67 121.33 1ud3 s ASP 63 Ca 0.23 -2.45 -0.00 0.00 -0.52 0.00 0.00 52.55 49.81 1ud3 s ASP 63 Cb 0.19 -2.11 0.22 0.00 -1.46 0.00 0.00 42.92 39.76 1ud3 s ASP 63 CO 0.52 -0.60 1.83 0.18 0.52 0.00 0.00 175.17 177.62 1ud3 n LEU 64 N 4.24 5.85 -0.83 -1.34 4.77 -1.26 0.95 117.00 129.38 1ud3 n LEU 64 Ca 0.04 -2.98 0.00 0.00 -0.03 0.00 0.00 56.01 53.05 1ud3 n LEU 64 Cb 0.43 -0.94 0.00 0.00 -2.33 0.00 0.00 43.42 40.58 1ud3 n LEU 64 CO 0.38 1.07 0.00 0.61 -1.33 0.00 0.00 177.39 178.12 1ud3 n GLY 65 N 0.27 0.59 0.00 -0.72 0.00 -1.26 -1.96 105.19 102.11 1ud3 n GLY 65 Ca 0.27 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.77 1ud3 n GLY 65 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1ud3 n GLU 66 N -0.83 2.51 -4.39 1.61 2.13 -1.21 -1.69 120.64 118.77 1ud3 n GLU 66 Ca 0.00 0.00 -0.26 0.00 0.66 0.00 0.00 57.16 57.56 1ud3 n GLU 66 Cb 0.48 -0.89 -0.10 0.00 0.27 0.00 0.00 31.44 31.20 1ud3 n GLU 66 CO 0.00 0.00 0.00 -0.06 -0.41 0.00 0.00 177.13 176.66 1ud3 s PHE 67 N -1.71 2.41 -0.74 4.31 0.08 -1.26 -4.99 117.98 116.08 1ud3 s PHE 67 Ca 0.00 -0.31 -0.24 0.00 0.12 0.00 0.00 56.93 56.50 1ud3 s PHE 67 Cb 0.00 -1.15 0.06 0.00 -0.57 0.00 0.00 43.02 41.35 1ud3 s PHE 67 CO 0.00 0.55 1.14 1.21 -0.10 0.00 0.00 175.22 178.02 1ud3 s ASN 68 N -2.94 6.24 0.01 1.36 3.84 -1.26 -4.10 114.94 118.09 1ud3 s ASN 68 Ca 0.24 -0.92 -0.08 0.00 0.21 0.00 0.00 52.86 52.32 1ud3 s ASN 68 Cb -0.07 -2.48 0.00 0.00 -0.55 0.00 0.00 41.25 38.14 1ud3 s ASN 68 CO 0.13 -1.57 0.15 -1.10 -2.79 0.00 0.00 177.10 171.92 1ud3 s GLN 69 N 4.67 0.53 -1.82 0.43 -0.21 -0.47 -4.20 119.66 118.58 1ud3 s GLN 69 Ca 0.30 -0.45 0.00 0.00 0.02 0.00 0.00 55.36 55.23 1ud3 s GLN 69 Cb -0.11 0.22 0.00 0.00 1.00 0.00 0.00 33.01 34.12 1ud3 s GLN 69 CO 0.08 -0.13 0.00 1.63 -2.12 0.00 0.00 175.29 174.75 1ud3 n LYS 70 N 1.27 -1.27 -1.08 2.91 4.76 -1.26 -2.62 118.16 120.87 1ud3 n LYS 70 Ca -0.22 1.08 0.00 0.00 -2.87 0.00 0.00 58.31 56.30 1ud3 n LYS 70 Cb 0.56 -5.38 0.00 0.00 -1.84 0.00 0.00 35.03 28.37 1ud3 n LYS 70 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1ud3 n GLY 71 N -0.83 0.66 3.58 0.72 0.00 -1.26 -4.34 105.19 103.72 1ud3 n GLY 71 Ca -0.18 -0.74 -0.08 0.00 0.00 0.00 0.00 46.02 45.01 1ud3 n GLY 71 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1ud3 s THR 72 N -2.00 0.00 -0.13 2.61 -1.32 -1.08 -4.84 115.64 108.88 1ud3 s THR 72 Ca 0.00 0.00 -0.08 0.00 -1.21 0.00 0.00 61.69 60.40 1ud3 s THR 72 Cb 0.00 -1.00 -0.03 0.00 -1.51 0.00 0.00 72.50 69.96 1ud3 s THR 72 CO 0.00 0.00 -0.16 0.52 -2.21 0.00 0.00 174.62 172.77 1ud3 n VAL 73 N 0.41 1.29 -1.31 5.08 0.31 -1.26 -1.37 118.33 121.47 1ud3 n VAL 73 Ca -0.07 0.25 -0.30 0.00 -0.01 0.00 0.00 64.34 64.20 1ud3 n VAL 73 Cb 0.59 -2.31 0.10 0.00 -0.91 0.00 0.00 33.84 31.31 1ud3 n VAL 73 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ud3 s ARG 74 N -2.12 1.98 0.41 5.55 1.70 -1.26 -3.35 118.95 121.85 1ud3 s ARG 74 Ca -0.13 0.97 -0.01 0.00 -0.47 0.00 0.00 55.73 56.09 1ud3 s ARG 74 Cb 0.02 -1.88 0.08 0.00 -0.57 0.00 0.00 34.95 32.60 1ud3 s ARG 74 CO 0.20 -1.78 0.56 0.25 -1.08 0.00 0.00 175.30 173.44 1ud3 n THR 75 N -3.59 0.00 -0.16 4.99 -2.24 -0.54 -4.84 114.28 107.90 1ud3 n THR 75 Ca 0.08 -0.82 0.04 0.00 -2.27 0.00 0.00 64.05 61.08 1ud3 n THR 75 Cb 0.54 -1.18 0.33 0.00 -2.10 0.00 0.00 70.33 67.92 1ud3 n THR 75 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1ud3 h LYS 76 N 0.00 0.79 0.00 -0.78 3.64 -1.62 -2.86 116.57 115.74 1ud3 h LYS 76 Ca -0.18 -0.05 -0.06 0.00 -1.27 0.00 0.00 60.65 59.09 1ud3 h LYS 76 Cb 0.66 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 32.29 1ud3 h LYS 76 CO 0.19 0.52 -0.47 1.88 -2.27 0.00 0.00 179.45 179.30 1ud3 h TYR 77 N 0.82 0.00 0.00 1.91 0.05 -1.89 -2.58 116.97 115.28 1ud3 h TYR 77 Ca 0.27 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.05 1ud3 h TYR 77 Cb 0.05 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.79 1ud3 h TYR 77 CO -0.00 0.25 0.00 0.41 -1.05 0.00 0.00 178.16 177.77 1ud3 n GLY 78 N 1.19 0.55 3.93 3.88 0.00 -1.08 -1.82 105.19 111.84 1ud3 n GLY 78 Ca 0.01 -1.76 -0.25 0.00 0.00 0.00 0.00 46.02 44.02 1ud3 n GLY 78 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ud3 s THR 79 N -2.41 5.04 0.27 2.61 -4.23 -1.26 -1.46 115.64 114.19 1ud3 s THR 79 Ca 0.00 -0.22 -0.01 0.00 -1.18 0.00 0.00 61.69 60.28 1ud3 s THR 79 Cb 0.00 -3.85 0.25 0.00 1.34 0.00 0.00 72.50 70.25 1ud3 s THR 79 CO 0.00 -0.61 1.82 0.50 -0.54 0.00 0.00 174.62 175.79 1ud3 h LYS 80 N 0.73 0.87 -0.47 3.99 3.64 -0.65 -0.71 116.57 123.97 1ud3 h LYS 80 Ca -0.49 -0.05 -0.07 0.00 -1.27 0.00 0.00 60.65 58.77 1ud3 h LYS 80 Cb 1.21 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 32.81 1ud3 h LYS 80 CO 0.62 0.57 -0.01 0.00 -2.27 0.00 0.00 179.45 178.37 1ud3 h ALA 81 N 1.51 1.11 -0.06 5.00 0.00 -1.87 -0.68 119.26 124.27 1ud3 h ALA 81 Ca 0.46 -0.26 -0.16 0.00 0.00 0.00 0.00 54.91 54.95 1ud3 h ALA 81 Cb 0.45 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1ud3 h ALA 81 CO -0.27 0.57 -0.65 1.96 0.00 0.00 0.00 179.25 180.86 1ud3 h GLN 82 N 0.72 0.25 0.15 0.00 4.20 -1.65 -1.58 115.11 117.21 1ud3 h GLN 82 Ca 0.14 -0.19 -0.01 0.00 0.06 0.00 0.00 58.65 58.66 1ud3 h GLN 82 Cb 0.46 0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.27 1ud3 h GLN 82 CO 0.02 0.82 -0.07 1.25 -0.67 0.00 0.00 178.83 180.17 1ud3 h LEU 83 N 0.18 -0.17 -0.81 1.46 5.85 -0.78 -0.65 115.31 120.38 1ud3 h LEU 83 Ca -0.01 -0.19 0.06 0.00 0.84 0.00 0.00 57.88 58.58 1ud3 h LEU 83 Cb 1.18 0.04 -0.06 0.00 0.37 0.00 0.00 40.66 42.20 1ud3 h LEU 83 CO 0.10 0.09 0.49 -0.33 -0.34 0.00 0.00 178.44 178.46 1ud3 h GLU 84 N -0.45 0.87 -0.80 1.25 5.08 -1.10 -0.09 114.58 119.34 1ud3 h GLU 84 Ca -0.02 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.28 1ud3 h GLU 84 Cb 0.35 -0.20 -0.04 0.00 0.50 0.00 0.00 28.75 29.37 1ud3 h GLU 84 CO 0.03 0.58 0.46 -0.09 -1.00 0.00 0.00 179.01 178.99 1ud3 h ARG 85 N 0.90 1.10 0.10 2.33 2.43 -1.16 -1.34 114.38 118.73 1ud3 h ARG 85 Ca 0.35 -0.12 -0.00 0.00 -0.81 0.00 0.00 59.98 59.40 1ud3 h ARG 85 Cb 0.17 -0.22 0.00 0.00 -0.42 0.00 0.00 29.97 29.50 1ud3 h ARG 85 CO -0.17 0.80 -0.05 0.00 -1.51 0.00 0.00 179.97 179.04 1ud3 h ALA 86 N 1.24 -0.13 -0.93 2.80 0.00 0.07 -2.38 119.26 119.94 1ud3 h ALA 86 Ca 0.28 -0.11 0.12 0.00 0.00 0.00 0.00 54.91 55.21 1ud3 h ALA 86 Cb -0.00 0.05 -0.09 0.00 0.00 0.00 0.00 17.79 17.75 1ud3 h ALA 86 CO -0.05 -0.48 0.55 0.82 0.00 0.00 0.00 179.25 180.09 1ud3 h ILE 87 N -0.31 0.86 -0.74 0.00 2.04 -0.86 0.89 117.51 119.38 1ud3 h ILE 87 Ca -0.01 -0.29 0.03 0.00 1.00 0.00 0.00 64.86 65.59 1ud3 h ILE 87 Cb 0.26 -0.06 -0.05 0.00 -0.74 0.00 0.00 36.82 36.23 1ud3 h ILE 87 CO 0.02 0.15 0.47 1.23 0.00 0.00 0.00 178.15 180.02 1ud3 h GLY 88 N 0.85 1.08 1.04 5.37 0.00 -1.00 0.11 103.07 110.51 1ud3 h GLY 88 Ca 0.47 -0.35 -0.08 0.00 0.00 0.00 0.00 47.33 47.38 1ud3 h GLY 88 CO -0.29 0.29 0.07 0.23 0.00 0.00 0.00 176.54 176.84 1ud3 h SER 89 N 0.90 0.95 -0.01 0.19 0.87 -0.42 -1.81 113.55 114.21 1ud3 h SER 89 Ca 0.30 -0.27 -0.00 0.00 -1.23 0.00 0.00 61.79 60.59 1ud3 h SER 89 Cb 0.04 -0.25 -0.00 0.00 -0.44 0.00 0.00 62.40 61.74 1ud3 h SER 89 CO -0.12 0.99 0.01 -0.07 -0.53 0.00 0.00 176.83 177.10 1ud3 h LEU 90 N 0.88 0.02 -0.13 2.23 3.38 -0.12 -2.59 115.31 118.98 1ud3 h LEU 90 Ca 0.17 -0.04 0.04 0.00 0.09 0.00 0.00 57.88 58.14 1ud3 h LEU 90 Cb 0.46 -0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.17 1ud3 h LEU 90 CO 0.02 0.05 -0.10 0.11 0.09 0.00 0.00 178.44 178.60 1ud3 h LYS 91 N -0.02 -0.11 0.00 1.13 1.79 -0.65 -0.67 116.57 118.04 1ud3 h LYS 91 Ca 0.00 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.48 1ud3 h LYS 91 Cb 0.04 0.03 0.00 0.00 -1.58 0.00 0.00 32.23 30.72 1ud3 h LYS 91 CO -0.00 -0.08 0.00 -1.13 -1.08 0.00 0.00 179.45 177.16 1ud3 n SER 92 N -5.25 0.12 -1.10 0.86 3.41 -0.70 -1.44 113.62 109.52 1ud3 n SER 92 Ca -0.03 0.54 0.04 0.00 -0.26 0.00 0.00 58.87 59.16 1ud3 n SER 92 Cb 0.17 -0.56 0.25 0.00 -0.26 0.00 0.00 64.21 63.81 1ud3 n SER 92 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1ud3 n ASN 93 N -1.64 3.73 -3.61 4.04 3.02 -0.36 -4.97 115.26 115.48 1ud3 n ASN 93 Ca 0.01 -3.21 -0.23 0.00 -0.03 0.00 0.00 54.58 51.12 1ud3 n ASN 93 Cb 0.09 -0.59 0.08 0.00 -0.61 0.00 0.00 39.78 38.74 1ud3 n ASN 93 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1ud3 n ASP 94 N -0.59 -5.41 -4.14 6.41 8.00 -0.52 -4.76 116.55 115.55 1ud3 n ASP 94 Ca 0.27 -0.58 -0.30 0.00 0.71 0.00 0.00 54.79 54.88 1ud3 n ASP 94 Cb 0.99 -4.92 -0.17 0.00 -0.02 0.00 0.00 41.12 37.01 1ud3 n ASP 94 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1ud3 s ILE 95 N -3.33 1.81 0.50 0.53 1.01 -0.62 -4.79 121.20 116.30 1ud3 s ILE 95 Ca 0.49 -0.85 -0.20 0.00 0.00 0.00 0.00 60.65 60.09 1ud3 s ILE 95 Cb -0.22 -1.60 -0.08 0.00 0.01 0.00 0.00 42.46 40.57 1ud3 s ILE 95 CO 0.74 0.50 1.05 0.20 0.00 0.00 0.00 174.94 177.43 1ud3 s ASN 96 N 0.67 6.25 -0.19 3.58 0.01 0.27 -3.93 114.94 121.61 1ud3 s ASN 96 Ca -0.12 1.93 0.00 0.00 -0.71 0.00 0.00 52.86 53.96 1ud3 s ASN 96 Cb -0.16 -2.56 0.02 0.00 0.41 0.00 0.00 41.25 38.96 1ud3 s ASN 96 CO 0.03 -0.84 -0.18 -0.69 -1.51 0.00 0.00 177.10 173.91 1ud3 s VAL 97 N -2.01 2.24 -0.18 1.60 1.01 -1.26 -0.48 120.40 121.32 1ud3 s VAL 97 Ca 0.67 -0.89 -0.03 0.00 0.00 0.00 0.00 61.98 61.74 1ud3 s VAL 97 Cb -0.17 -1.96 -0.02 0.00 0.00 0.00 0.00 36.38 34.24 1ud3 s VAL 97 CO 0.22 0.52 -0.06 -0.31 0.00 0.00 0.00 175.10 175.47 1ud3 s TYR 98 N 1.31 2.94 -0.05 5.22 2.02 -0.40 -0.00 117.35 128.40 1ud3 s TYR 98 Ca 0.05 -0.66 -0.14 0.00 -0.37 0.00 0.00 57.07 55.95 1ud3 s TYR 98 Cb -0.13 -2.00 -0.05 0.00 -0.40 0.00 0.00 41.96 39.38 1ud3 s TYR 98 CO -0.12 -0.30 0.36 0.20 -1.57 0.00 0.00 175.55 174.12 1ud3 s GLY 99 N 0.86 2.40 0.12 0.71 0.00 -0.76 -1.72 107.32 108.92 1ud3 s GLY 99 Ca -0.02 -0.30 -0.30 0.00 0.00 0.00 0.00 44.72 44.10 1ud3 s GLY 99 CO 0.01 0.16 1.19 -0.35 0.00 0.00 0.00 173.10 174.11 1ud3 s ASP 100 N -0.73 7.10 -0.20 1.64 -1.08 -1.08 -1.87 116.67 120.46 1ud3 s ASP 100 Ca 0.22 2.11 0.01 0.00 -0.52 0.00 0.00 52.55 54.37 1ud3 s ASP 100 Cb -0.15 -2.59 0.03 0.00 -1.46 0.00 0.00 42.92 38.74 1ud3 s ASP 100 CO 0.11 -0.40 -0.18 -0.69 0.52 0.00 0.00 175.17 174.52 1ud3 s VAL 101 N 0.48 2.08 -0.39 1.11 1.01 0.27 -4.51 120.40 120.44 1ud3 s VAL 101 Ca 0.55 -1.08 -0.06 0.00 0.00 0.00 0.00 61.98 61.40 1ud3 s VAL 101 Cb -0.31 -1.94 0.08 0.00 0.00 0.00 0.00 36.38 34.22 1ud3 s VAL 101 CO 0.33 0.42 0.19 -0.69 0.00 0.00 0.00 175.10 175.36 1ud3 s VAL 102 N 1.25 3.68 0.00 2.92 1.01 -1.26 -1.39 120.40 126.61 1ud3 s VAL 102 Ca 0.02 -1.63 0.00 0.00 0.00 0.00 0.00 61.98 60.37 1ud3 s VAL 102 Cb -0.14 -3.32 0.00 0.00 0.00 0.00 0.00 36.38 32.92 1ud3 s VAL 102 CO -0.11 -0.50 0.38 0.23 0.00 0.00 0.00 175.10 175.10 1ud3 n MET 103 N 4.75 -0.03 0.03 2.72 2.81 -1.26 -4.75 117.12 121.39 1ud3 n MET 103 Ca -0.08 -0.38 -0.03 0.00 -1.81 0.00 0.00 57.70 55.40 1ud3 n MET 103 Cb 0.42 -0.87 0.22 0.00 -0.71 0.00 0.00 33.22 32.28 1ud3 n MET 103 CO 0.00 0.00 0.00 -0.97 1.51 0.00 0.00 175.97 176.51 1ud3 h ASN 104 N 0.00 0.44 -2.78 7.83 -1.24 -1.90 -3.45 115.58 114.48 1ud3 h ASN 104 Ca 0.00 -0.15 -0.12 0.00 0.71 0.00 0.00 56.30 56.74 1ud3 h ASN 104 Cb 0.06 -0.12 -0.02 0.00 0.73 0.00 0.00 38.32 38.96 1ud3 h ASN 104 CO 0.00 0.69 0.00 0.00 -1.29 0.00 0.00 177.43 176.84 1ud3 n HIS 105 N -4.13 -1.37 -3.95 0.67 1.44 -1.26 -2.40 115.22 104.23 1ud3 n HIS 105 Ca -0.00 -1.37 -0.09 0.00 -2.01 0.00 0.00 57.72 54.25 1ud3 n HIS 105 Cb 0.40 0.43 -0.09 0.00 0.12 0.00 0.00 29.99 30.85 1ud3 n HIS 105 CO 0.00 0.00 0.00 0.15 -2.81 0.00 0.00 176.34 173.68 1ud3 s LYS 106 N -2.34 0.64 0.18 -1.40 1.02 -0.96 -4.82 119.74 112.06 1ud3 s LYS 106 Ca 0.15 -0.90 -0.09 0.00 0.02 0.00 0.00 55.97 55.15 1ud3 s LYS 106 Cb -0.02 0.25 -0.01 0.00 -0.52 0.00 0.00 37.83 37.53 1ud3 s LYS 106 CO 0.11 -0.16 0.31 -1.64 -0.92 0.00 0.00 175.35 173.05 1ud3 s MET 107 N -3.14 1.23 -0.36 1.68 -1.94 -0.19 -1.66 119.30 114.92 1ud3 s MET 107 Ca -0.00 -1.20 -0.01 0.00 -1.71 0.00 0.00 55.69 52.77 1ud3 s MET 107 Cb 0.02 0.39 0.00 0.00 2.01 0.00 0.00 34.83 37.25 1ud3 s MET 107 CO -0.07 -0.46 0.07 0.41 -0.01 0.00 0.00 175.02 174.96 1ud3 n GLY 108 N -0.25 0.31 3.68 -0.03 0.00 -1.26 -3.78 105.19 103.85 1ud3 n GLY 108 Ca -0.06 -0.64 -0.42 0.00 0.00 0.00 0.00 46.02 44.90 1ud3 n GLY 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ud3 n ALA 109 N -1.71 1.00 0.01 4.61 0.00 -1.26 -4.90 120.51 118.27 1ud3 n ALA 109 Ca -0.04 0.33 -0.01 0.00 0.00 0.00 0.00 53.44 53.73 1ud3 n ALA 109 Cb 0.53 -2.21 0.27 0.00 0.00 0.00 0.00 19.45 18.04 1ud3 n ALA 109 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1ud3 h ASP 110 N 2.30 0.47 -5.07 0.00 3.32 -0.51 -3.47 116.42 113.46 1ud3 h ASP 110 Ca -0.45 -0.11 -0.04 0.00 0.02 0.00 0.00 57.03 56.44 1ud3 h ASP 110 Cb 1.30 -0.12 -0.12 0.00 0.22 0.00 0.00 39.33 40.60 1ud3 h ASP 110 CO 0.61 0.60 -0.01 0.72 -1.72 0.00 0.00 179.24 179.45 1ud3 s PHE 111 N -4.80 -0.23 0.51 4.55 -0.12 -0.91 -5.01 117.98 111.97 1ud3 s PHE 111 Ca -0.07 -0.08 -0.02 0.00 -0.05 0.00 0.00 56.93 56.71 1ud3 s PHE 111 Cb 0.15 0.33 0.00 0.00 -0.63 0.00 0.00 43.02 42.87 1ud3 s PHE 111 CO 0.77 -0.77 0.77 0.95 -0.05 0.00 0.00 175.22 176.89 1ud3 s THR 112 N -3.81 3.80 -0.04 -4.49 -4.23 -1.26 -1.32 115.64 104.29 1ud3 s THR 112 Ca 0.04 -0.28 -0.05 0.00 -1.18 0.00 0.00 61.69 60.21 1ud3 s THR 112 Cb 0.01 -3.45 0.01 0.00 1.34 0.00 0.00 72.50 70.41 1ud3 s THR 112 CO -0.10 -0.38 0.13 -1.61 -0.54 0.00 0.00 174.62 172.12 1ud3 s GLU 113 N -4.75 0.26 -0.05 3.99 2.02 -0.19 -4.83 118.70 115.15 1ud3 s GLU 113 Ca 0.51 0.00 -0.30 0.00 0.02 0.00 0.00 54.97 55.21 1ud3 s GLU 113 Cb -0.10 0.11 -0.04 0.00 0.10 0.00 0.00 34.13 34.20 1ud3 s GLU 113 CO 0.41 -0.05 1.32 0.00 0.02 0.00 0.00 175.26 176.97 1ud3 s ALA 114 N -0.38 3.56 -0.01 5.21 0.00 -1.26 -1.22 121.76 127.66 1ud3 s ALA 114 Ca -0.05 0.73 0.02 0.00 0.00 0.00 0.00 51.96 52.66 1ud3 s ALA 114 Cb -0.03 -3.58 0.00 0.00 0.00 0.00 0.00 23.12 19.51 1ud3 s ALA 114 CO 0.00 -0.92 -0.05 0.08 0.00 0.00 0.00 175.76 174.87 1ud3 s VAL 115 N 2.57 0.44 -0.07 0.00 1.01 0.66 -4.95 120.40 120.07 1ud3 s VAL 115 Ca 0.60 -0.21 -0.30 0.00 0.00 0.00 0.00 61.98 62.08 1ud3 s VAL 115 Cb -0.28 -0.40 -0.03 0.00 0.00 0.00 0.00 36.38 35.68 1ud3 s VAL 115 CO 0.23 0.14 1.23 -1.10 0.00 0.00 0.00 175.10 175.61 1ud3 s GLN 116 N 0.07 4.32 0.22 2.72 -1.52 -1.26 -1.36 119.66 122.85 1ud3 s GLN 116 Ca -0.00 1.71 -0.06 0.00 -1.95 0.00 0.00 55.36 55.05 1ud3 s GLN 116 Cb -0.05 -3.59 -0.02 0.00 -0.22 0.00 0.00 33.01 29.13 1ud3 s GLN 116 CO -0.00 -0.50 0.28 0.00 -0.25 0.00 0.00 175.29 174.81 1ud3 s ALA 117 N 2.44 0.54 0.04 6.09 0.00 -0.28 -0.31 121.76 130.27 1ud3 s ALA 117 Ca 0.57 -1.33 0.02 0.00 0.00 0.00 0.00 51.96 51.22 1ud3 s ALA 117 Cb -0.25 1.23 -0.02 0.00 0.00 0.00 0.00 23.12 24.07 1ud3 s ALA 117 CO 0.21 -0.70 -0.07 0.14 0.00 0.00 0.00 175.76 175.34 1ud3 s VAL 118 N -4.09 0.50 0.15 0.00 -7.23 -0.93 -0.97 120.40 107.83 1ud3 s VAL 118 Ca 0.31 -1.01 -0.20 0.00 -1.81 0.00 0.00 61.98 59.27 1ud3 s VAL 118 Cb 0.04 -0.57 -0.07 0.00 0.56 0.00 0.00 36.38 36.34 1ud3 s VAL 118 CO 0.10 -0.36 0.66 -1.10 -0.31 0.00 0.00 175.10 174.10 1ud3 s GLN 119 N -1.47 4.27 0.38 4.82 -0.21 -1.26 -1.60 119.66 124.58 1ud3 s GLN 119 Ca -0.10 0.84 0.08 0.00 0.02 0.00 0.00 55.36 56.21 1ud3 s GLN 119 Cb -0.09 -3.09 -0.06 0.00 1.00 0.00 0.00 33.01 30.76 1ud3 s GLN 119 CO 0.00 0.53 0.02 0.14 -2.12 0.00 0.00 175.29 173.86 1ud3 s VAL 120 N -1.30 2.29 -0.22 1.09 -7.23 0.08 -0.02 120.40 115.09 1ud3 s VAL 120 Ca 0.36 -1.98 -0.29 0.00 -1.81 0.00 0.00 61.98 58.26 1ud3 s VAL 120 Cb -0.19 -2.86 -0.01 0.00 0.56 0.00 0.00 36.38 33.87 1ud3 s VAL 120 CO 0.21 -0.10 1.39 0.21 -0.31 0.00 0.00 175.10 176.50 1ud3 s ASN 121 N -3.72 6.68 0.36 4.85 2.47 0.17 -4.53 114.94 121.22 1ud3 s ASN 121 Ca 0.35 1.53 0.16 0.00 0.42 0.00 0.00 52.86 55.33 1ud3 s ASN 121 Cb 0.04 -2.54 1.08 0.00 -1.45 0.00 0.00 41.25 38.38 1ud3 s ASN 121 CO 0.19 -1.01 1.71 -0.65 -3.72 0.00 0.00 177.10 173.61 1ud3 h PRO 122 N 9.33 0.38 -0.52 0.43 0.11 -1.92 0.43 132.00 140.23 1ud3 h PRO 122 Ca -0.29 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.80 1ud3 h PRO 122 Cb 1.12 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.14 1ud3 h PRO 122 CO 1.00 0.25 0.00 0.25 -0.21 0.00 0.00 178.00 179.29 1ud3 n THR 123 N -4.83 0.70 -2.74 -1.15 -2.24 -1.26 -4.54 114.28 98.21 1ud3 n THR 123 Ca 0.29 -0.74 -0.05 0.00 -2.27 0.00 0.00 64.05 61.28 1ud3 n THR 123 Cb 0.94 0.47 0.02 0.00 -2.10 0.00 0.00 70.33 69.66 1ud3 n THR 123 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1ud3 n ASN 124 N 1.18 -2.99 0.00 3.42 2.85 0.14 -3.92 115.26 115.94 1ud3 n ASN 124 Ca 0.19 -2.64 0.00 0.00 -0.11 0.00 0.00 54.58 52.02 1ud3 n ASN 124 Cb 0.49 1.58 0.00 0.00 1.24 0.00 0.00 39.78 43.09 1ud3 n ASN 124 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 1ud3 n ARG 125 N 2.62 0.00 0.10 1.20 3.00 -0.63 0.08 116.66 123.03 1ud3 n ARG 125 Ca 0.15 0.37 -0.04 0.00 -0.01 0.00 0.00 57.85 58.32 1ud3 n ARG 125 Cb 0.59 -1.59 0.00 0.00 0.00 0.00 0.00 32.46 31.47 1ud3 n ARG 125 CO 0.00 0.00 0.00 -1.49 0.00 0.00 0.00 177.63 176.14 1ud3 h TRP 126 N 0.00 0.00 -3.59 -1.55 -0.00 -1.84 -3.44 115.95 105.53 1ud3 h TRP 126 Ca 0.00 0.00 -0.64 0.00 -0.00 0.00 0.00 58.89 58.25 1ud3 h TRP 126 Cb 0.17 0.00 -0.14 0.00 -0.00 0.00 0.00 29.16 29.19 1ud3 h TRP 126 CO 0.00 0.82 0.19 -1.14 -0.00 0.00 0.00 178.44 178.31 1ud3 s GLN 127 N -3.07 3.42 0.29 0.49 0.74 0.11 -5.00 119.66 116.65 1ud3 s GLN 127 Ca 0.00 -0.19 -0.29 0.00 0.05 0.00 0.00 55.36 54.94 1ud3 s GLN 127 Cb 0.11 -3.91 -0.09 0.00 1.10 0.00 0.00 33.01 30.22 1ud3 s GLN 127 CO 0.79 -0.96 1.08 -0.51 -0.55 0.00 0.00 175.29 175.14 1ud3 s ASP 128 N 1.98 7.22 0.00 6.67 1.11 -1.26 0.44 116.67 132.83 1ud3 s ASP 128 Ca 0.25 2.21 0.00 0.00 0.18 0.00 0.00 52.55 55.18 1ud3 s ASP 128 Cb -0.14 -2.62 0.00 0.00 1.07 0.00 0.00 42.92 41.23 1ud3 s ASP 128 CO 0.19 -0.17 0.49 2.30 1.18 0.00 0.00 175.17 179.16 1ud3 n ILE 129 N 1.02 0.03 -3.94 0.77 -5.35 0.97 -4.80 119.36 108.06 1ud3 n ILE 129 Ca -0.00 -0.49 -0.09 0.00 -0.27 0.00 0.00 62.75 61.90 1ud3 n ILE 129 Cb 0.46 1.04 -0.08 0.00 -1.74 0.00 0.00 39.64 39.32 1ud3 n ILE 129 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 1ud3 s SER 130 N -0.03 0.18 0.85 7.28 1.04 -1.12 -4.92 113.70 116.97 1ud3 s SER 130 Ca 0.00 -0.81 -0.12 0.00 0.48 0.00 0.00 55.95 55.50 1ud3 s SER 130 Cb 0.00 0.34 0.13 0.00 0.10 0.00 0.00 66.02 66.59 1ud3 s SER 130 CO 0.00 -0.75 1.20 -0.83 0.98 0.00 0.00 173.24 173.84 1ud3 s GLY 131 N -2.91 1.70 0.12 7.32 0.00 -1.26 -4.33 107.32 107.96 1ud3 s GLY 131 Ca 0.10 -1.02 -0.30 0.00 0.00 0.00 0.00 44.72 43.50 1ud3 s GLY 131 CO -0.07 -0.42 1.04 0.00 0.00 0.00 0.00 173.10 173.65 1ud3 s ALA 132 N -3.62 3.30 0.17 3.20 0.00 -1.26 -4.52 121.76 119.03 1ud3 s ALA 132 Ca 0.67 0.69 -0.10 0.00 0.00 0.00 0.00 51.96 53.22 1ud3 s ALA 132 Cb -0.07 -3.33 -0.00 0.00 0.00 0.00 0.00 23.12 19.71 1ud3 s ALA 132 CO 0.50 -0.16 0.32 1.52 0.00 0.00 0.00 175.76 177.94 1ud3 s TYR 133 N 0.13 0.32 -0.20 0.00 -0.85 -0.15 -4.91 117.35 111.69 1ud3 s TYR 133 Ca 0.50 -0.68 -0.20 0.00 -0.52 0.00 0.00 57.07 56.16 1ud3 s TYR 133 Cb -0.26 0.01 -0.03 0.00 0.38 0.00 0.00 41.96 42.06 1ud3 s TYR 133 CO 0.31 -0.75 0.59 0.99 -1.52 0.00 0.00 175.55 175.17 1ud3 s THR 134 N -3.95 5.05 0.35 -3.49 2.01 -1.26 -1.13 115.64 113.22 1ud3 s THR 134 Ca 0.16 1.09 0.09 0.00 0.31 0.00 0.00 61.69 63.34 1ud3 s THR 134 Cb 0.03 -3.90 -0.06 0.00 0.01 0.00 0.00 72.50 68.57 1ud3 s THR 134 CO -0.00 0.13 -0.03 0.27 -0.69 0.00 0.00 174.62 174.30 1ud3 s ILE 135 N 1.84 2.39 -0.29 1.82 -4.36 -0.46 -4.90 121.20 117.25 1ud3 s ILE 135 Ca 0.27 -2.06 -0.08 0.00 -0.26 0.00 0.00 60.65 58.52 1ud3 s ILE 135 Cb -0.16 -2.76 -0.01 0.00 1.25 0.00 0.00 42.46 40.79 1ud3 s ILE 135 CO 0.10 -0.18 0.10 -1.81 0.24 0.00 0.00 174.94 173.39 1ud3 s ASP 136 N -3.68 5.25 -0.07 4.36 1.01 -1.26 -0.24 116.67 122.04 1ud3 s ASP 136 Ca 0.34 -0.52 0.01 0.00 0.71 0.00 0.00 52.55 53.10 1ud3 s ASP 136 Cb 0.02 -1.93 -0.03 0.00 1.01 0.00 0.00 42.92 41.99 1ud3 s ASP 136 CO 0.18 -0.15 -0.09 0.00 0.21 0.00 0.00 175.17 175.32 1ud3 s ALA 137 N 1.57 2.90 -1.11 5.23 0.00 -0.36 -0.76 121.76 129.21 1ud3 s ALA 137 Ca 0.04 -0.91 -0.22 0.00 0.00 0.00 0.00 51.96 50.87 1ud3 s ALA 137 Cb -0.17 -1.17 0.02 0.00 0.00 0.00 0.00 23.12 21.81 1ud3 s ALA 137 CO 0.04 0.56 1.68 -1.58 0.00 0.00 0.00 175.76 176.46 1ud3 s TRP 138 N -0.75 2.42 0.00 0.00 0.52 -1.26 -1.02 118.94 118.85 1ud3 s TRP 138 Ca 0.11 -0.69 0.00 0.00 0.02 0.00 0.00 56.10 55.54 1ud3 s TRP 138 Cb -0.11 -4.52 0.00 0.00 -1.15 0.00 0.00 33.47 27.69 1ud3 s TRP 138 CO 0.01 -1.77 0.00 0.25 0.02 0.00 0.00 176.95 175.46 1ud3 n THR 139 N 7.01 0.00 -3.05 2.01 -2.24 -1.19 -4.57 114.28 112.26 1ud3 n THR 139 Ca 0.41 -0.42 -0.42 0.00 -2.27 0.00 0.00 64.05 61.35 1ud3 n THR 139 Cb 0.48 0.98 -0.06 0.00 -2.10 0.00 0.00 70.33 69.63 1ud3 n THR 139 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1ud3 s GLY 140 N -0.91 1.72 -0.18 3.38 0.00 -0.44 -3.53 107.32 107.36 1ud3 s GLY 140 Ca 0.00 -0.70 0.01 0.00 0.00 0.00 0.00 44.72 44.03 1ud3 s GLY 140 CO 0.00 1.59 -0.19 -1.36 0.00 0.00 0.00 173.10 173.14 1ud3 s PHE 141 N 2.83 2.75 -0.16 1.90 0.40 -0.53 0.32 117.98 125.49 1ud3 s PHE 141 Ca 0.27 -1.64 0.04 0.00 -0.60 0.00 0.00 56.93 55.00 1ud3 s PHE 141 Cb -0.14 -1.89 -0.05 0.00 0.51 0.00 0.00 43.02 41.45 1ud3 s PHE 141 CO 0.14 -0.80 0.15 -0.25 0.70 0.00 0.00 175.22 175.17 1ud3 n ASP 142 N 4.63 0.77 -3.88 1.36 8.00 -1.26 -2.48 116.55 123.69 1ud3 n ASP 142 Ca -0.20 -0.50 -0.25 0.00 0.71 0.00 0.00 54.79 54.54 1ud3 n ASP 142 Cb 0.50 1.03 -0.00 0.00 -0.02 0.00 0.00 41.12 42.62 1ud3 n ASP 142 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1ud3 n PHE 143 N -1.18 -1.72 -0.22 1.24 3.72 -1.26 -4.88 117.46 113.16 1ud3 n PHE 143 Ca 0.01 0.74 -0.06 0.00 -0.05 0.00 0.00 57.45 58.09 1ud3 n PHE 143 Cb 0.07 -3.85 -0.05 0.00 -0.94 0.00 0.00 39.48 34.70 1ud3 n PHE 143 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1ud3 n SER 144 N -2.97 -0.56 0.16 4.37 7.64 -1.26 -1.18 113.62 119.81 1ud3 n SER 144 Ca -0.29 1.34 0.11 0.00 1.01 0.00 0.00 58.87 61.03 1ud3 n SER 144 Cb 0.68 -0.32 0.57 0.00 -1.01 0.00 0.00 64.21 64.12 1ud3 n SER 144 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ud3 n GLY 145 N -1.13 -0.86 0.06 0.23 0.00 -1.26 -2.68 105.19 99.56 1ud3 n GLY 145 Ca 0.01 0.19 -0.07 0.00 0.00 0.00 0.00 46.02 46.15 1ud3 n GLY 145 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1ud3 h ARG 146 N 0.00 0.00 -5.03 1.61 2.43 -1.47 -3.42 114.38 108.51 1ud3 h ARG 146 Ca 0.00 0.00 -0.35 0.00 -0.81 0.00 0.00 59.98 58.82 1ud3 h ARG 146 Cb 0.00 0.00 0.11 0.00 -0.42 0.00 0.00 29.97 29.67 1ud3 h ARG 146 CO 0.00 0.94 -0.59 -1.71 -1.51 0.00 0.00 179.97 177.11 1ud3 n ASN 147 N -3.32 -5.83 -1.92 -3.80 5.15 -1.09 -2.56 115.26 101.89 1ud3 n ASN 147 Ca -0.02 -0.43 -0.21 0.00 -0.60 0.00 0.00 54.58 53.32 1ud3 n ASN 147 Cb 0.95 -4.48 -0.06 0.00 -0.53 0.00 0.00 39.78 35.66 1ud3 n ASN 147 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 1ud3 n ASN 148 N -2.39 -5.68 -4.76 1.20 3.02 -1.26 -4.95 115.26 100.44 1ud3 n ASN 148 Ca -0.01 0.30 -0.41 0.00 -0.03 0.00 0.00 54.58 54.43 1ud3 n ASN 148 Cb 0.56 -4.88 -0.03 0.00 -0.61 0.00 0.00 39.78 34.83 1ud3 n ASN 148 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ud3 s ALA 149 N -2.88 3.49 0.00 5.41 0.00 -1.06 -3.08 121.76 123.65 1ud3 s ALA 149 Ca 0.00 1.17 0.00 0.00 0.00 0.00 0.00 51.96 53.13 1ud3 s ALA 149 Cb 0.00 -3.46 0.00 0.00 0.00 0.00 0.00 23.12 19.66 1ud3 s ALA 149 CO 0.00 -0.54 0.00 0.66 0.00 0.00 0.00 175.76 175.88 1ud3 n TYR 150 N 1.29 0.00 -3.64 0.00 4.01 -1.26 -4.78 117.16 112.78 1ud3 n TYR 150 Ca 0.01 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.66 1ud3 n TYR 150 Cb 0.42 0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 39.38 1ud3 n TYR 150 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1ud3 s SER 151 N 0.00 -0.43 -0.20 7.72 0.15 -1.18 -5.02 113.70 114.73 1ud3 s SER 151 Ca 0.00 0.84 0.16 0.00 0.70 0.00 0.00 55.95 57.64 1ud3 s SER 151 Cb 0.00 0.85 0.62 0.00 -1.71 0.00 0.00 66.02 65.78 1ud3 s SER 151 CO 0.00 -0.14 1.53 -0.90 1.20 0.00 0.00 173.24 174.92 1ud3 n ASP 152 N 2.21 4.38 -4.74 5.45 5.68 -1.26 -4.35 116.55 123.91 1ud3 n ASP 152 Ca -0.12 -3.03 -0.41 0.00 -0.50 0.00 0.00 54.79 50.73 1ud3 n ASP 152 Cb 0.56 -0.59 -0.04 0.00 -1.14 0.00 0.00 41.12 39.91 1ud3 n ASP 152 CO 0.00 0.00 0.00 0.12 -1.33 0.00 0.00 177.20 175.99 1ud3 s PHE 153 N -2.84 3.48 -0.00 2.11 2.19 -1.26 -5.03 117.98 116.62 1ud3 s PHE 153 Ca 0.46 1.51 0.07 0.00 0.33 0.00 0.00 56.93 59.30 1ud3 s PHE 153 Cb 0.37 -3.38 -0.02 0.00 -1.31 0.00 0.00 43.02 38.68 1ud3 s PHE 153 CO 0.11 -0.98 -0.21 0.15 1.83 0.00 0.00 175.22 176.11 1ud3 s LYS 154 N -0.54 1.65 -0.05 10.12 -0.14 -1.26 -4.98 119.74 124.54 1ud3 s LYS 154 Ca 0.50 -0.79 -0.08 0.00 -1.36 0.00 0.00 55.97 54.24 1ud3 s LYS 154 Cb -0.32 -1.63 -0.05 0.00 -1.68 0.00 0.00 37.83 34.15 1ud3 s LYS 154 CO 0.38 0.44 0.24 -1.58 -0.76 0.00 0.00 175.35 174.06 1ud3 s TRP 155 N -0.55 3.61 0.24 3.18 0.52 -1.04 -4.97 118.94 119.94 1ud3 s TRP 155 Ca 0.08 0.62 0.01 0.00 0.02 0.00 0.00 56.10 56.83 1ud3 s TRP 155 Cb -0.08 -2.01 -0.05 0.00 -1.15 0.00 0.00 33.47 30.17 1ud3 s TRP 155 CO -0.00 0.67 0.08 1.03 0.02 0.00 0.00 176.95 178.76 1ud3 s ARG 156 N -1.34 1.36 0.43 4.98 3.00 -1.23 -1.45 118.95 124.70 1ud3 s ARG 156 Ca 0.22 -1.73 0.15 0.00 0.00 0.00 0.00 55.73 54.37 1ud3 s ARG 156 Cb -0.13 -0.24 1.04 0.00 0.00 0.00 0.00 34.95 35.62 1ud3 s ARG 156 CO 0.11 -0.28 1.93 0.11 0.00 0.00 0.00 175.30 177.17 1ud3 h TRP 157 N 2.44 0.49 0.00 -0.53 5.08 -1.96 -1.65 115.95 119.82 1ud3 h TRP 157 Ca -0.38 0.01 0.00 0.00 1.08 0.00 0.00 58.89 59.60 1ud3 h TRP 157 Cb 1.24 -0.15 0.00 0.00 -3.00 0.00 0.00 29.16 27.25 1ud3 h TRP 157 CO 0.46 0.19 0.00 1.97 -1.28 0.00 0.00 178.44 179.79 1ud3 n PHE 158 N -4.48 0.00 0.49 0.12 1.16 -1.26 -1.33 117.46 112.15 1ud3 n PHE 158 Ca 0.14 0.00 0.11 0.00 -1.87 0.00 0.00 57.45 55.83 1ud3 n PHE 158 Cb 0.50 -0.08 0.03 0.00 -1.61 0.00 0.00 39.48 38.33 1ud3 n PHE 158 CO 0.00 0.00 0.00 0.72 -1.87 0.00 0.00 176.76 175.61 1ud3 n HIS 159 N -1.08 0.38 -3.56 2.97 8.25 -0.62 -4.93 115.22 116.63 1ud3 n HIS 159 Ca 0.11 0.11 -0.23 0.00 -0.26 0.00 0.00 57.72 57.44 1ud3 n HIS 159 Cb 0.07 -0.53 0.01 0.00 1.12 0.00 0.00 29.99 30.66 1ud3 n HIS 159 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 1ud3 s PHE 160 N -3.23 1.70 0.00 4.41 0.08 -0.45 -1.16 117.98 119.34 1ud3 s PHE 160 Ca 0.03 -0.75 0.00 0.00 0.12 0.00 0.00 56.93 56.33 1ud3 s PHE 160 Cb 0.14 -2.05 0.00 0.00 -0.57 0.00 0.00 43.02 40.54 1ud3 s PHE 160 CO 0.79 -0.65 0.31 0.27 -0.10 0.00 0.00 175.22 175.84 1ud3 n ASN 161 N -1.90 0.00 -3.63 1.36 6.94 -0.47 -4.62 115.26 112.95 1ud3 n ASN 161 Ca 0.05 -1.00 -0.01 0.00 -0.02 0.00 0.00 54.58 53.60 1ud3 n ASN 161 Cb 0.63 0.00 -0.02 0.00 -2.36 0.00 0.00 39.78 38.03 1ud3 n ASN 161 CO 0.00 0.00 0.00 -0.83 -1.03 0.00 0.00 177.26 175.40 1ud3 s GLY 162 N 0.00 -0.26 0.25 4.83 0.00 -1.25 -1.06 107.32 109.82 1ud3 s GLY 162 Ca 0.00 1.72 -0.15 0.00 0.00 0.00 0.00 44.72 46.28 1ud3 s GLY 162 CO 0.00 0.54 0.54 -1.34 0.00 0.00 0.00 173.10 172.84 1ud3 s VAL 163 N -2.05 0.01 -0.13 1.40 -7.23 -0.97 -1.62 120.40 109.81 1ud3 s VAL 163 Ca 0.12 -1.22 0.13 0.00 -1.81 0.00 0.00 61.98 59.20 1ud3 s VAL 163 Cb 0.01 -2.06 0.22 0.00 0.56 0.00 0.00 36.38 35.11 1ud3 s VAL 163 CO -0.03 -0.03 1.13 -0.90 -0.31 0.00 0.00 175.10 174.97 1ud3 n ASP 164 N -0.39 2.40 -3.52 4.85 5.68 -1.25 -0.32 116.55 124.01 1ud3 n ASP 164 Ca -0.03 -2.71 -0.12 0.00 -0.50 0.00 0.00 54.79 51.43 1ud3 n ASP 164 Cb 0.61 -0.30 -0.11 0.00 -1.14 0.00 0.00 41.12 40.18 1ud3 n ASP 164 CO 0.00 0.00 0.00 0.86 -1.33 0.00 0.00 177.20 176.73 1ud3 s TRP 165 N -2.23 -0.60 -0.53 2.11 -0.11 -1.25 -2.66 118.94 113.65 1ud3 s TRP 165 Ca 0.23 0.88 -0.22 0.00 1.22 0.00 0.00 56.10 58.21 1ud3 s TRP 165 Cb 0.19 -0.02 0.05 0.00 -1.50 0.00 0.00 33.47 32.20 1ud3 s TRP 165 CO 0.03 -0.55 0.79 0.34 -4.62 0.00 0.00 176.95 172.94 1ud3 s ASP 166 N 2.48 6.28 0.00 5.86 2.15 -0.34 -4.73 116.67 128.37 1ud3 s ASP 166 Ca 0.06 -0.65 0.23 0.00 0.43 0.00 0.00 52.55 52.62 1ud3 s ASP 166 Cb -0.14 -2.37 1.00 0.00 -0.30 0.00 0.00 42.92 41.11 1ud3 s ASP 166 CO -0.13 -1.08 1.73 1.67 -0.17 0.00 0.00 175.17 177.19 1ud3 n GLN 167 N 6.86 0.06 0.17 4.34 -0.06 0.06 0.07 117.38 128.87 1ud3 n GLN 167 Ca -0.02 0.11 -0.08 0.00 -2.00 0.00 0.00 57.00 55.00 1ud3 n GLN 167 Cb 0.46 -1.50 -0.04 0.00 -4.06 0.00 0.00 30.24 25.10 1ud3 n GLN 167 CO 0.00 0.00 0.00 -0.09 -0.20 0.00 0.00 177.06 176.77 1ud3 h ARG 168 N 0.00 -0.49 -0.07 3.69 2.43 -1.91 -3.33 114.38 114.70 1ud3 h ARG 168 Ca 0.00 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 1ud3 h ARG 168 Cb 0.36 0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.02 1ud3 h ARG 168 CO 0.00 -0.31 0.00 0.66 -1.51 0.00 0.00 179.97 178.81 1ud3 n TYR 169 N -5.11 0.07 -3.35 2.20 0.53 -1.24 -5.00 117.16 105.26 1ud3 n TYR 169 Ca -0.06 -0.03 -0.11 0.00 -1.02 0.00 0.00 57.90 56.67 1ud3 n TYR 169 Cb 0.21 0.00 0.00 0.00 -1.03 0.00 0.00 39.34 38.52 1ud3 n TYR 169 CO 0.00 0.00 0.00 1.04 -1.02 0.00 0.00 176.86 176.88 1ud3 n GLN 170 N 0.87 -1.48 -3.96 -0.72 6.02 0.11 -5.03 117.38 113.19 1ud3 n GLN 170 Ca 0.16 1.24 -0.09 0.00 -0.01 0.00 0.00 57.00 58.31 1ud3 n GLN 170 Cb 0.49 -4.31 -0.10 0.00 1.02 0.00 0.00 30.24 27.35 1ud3 n GLN 170 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 1ud3 s GLU 171 N -3.71 0.50 -0.20 -1.09 2.02 -0.86 -4.98 118.70 110.38 1ud3 s GLU 171 Ca 0.03 -0.73 -0.12 0.00 0.02 0.00 0.00 54.97 54.17 1ud3 s GLU 171 Cb -0.00 0.19 -0.05 0.00 0.10 0.00 0.00 34.13 34.37 1ud3 s GLU 171 CO 0.81 -0.11 0.21 -0.80 0.02 0.00 0.00 175.26 175.39 1ud3 s ASN 172 N -1.95 6.28 0.04 -0.19 -0.87 -1.26 -1.19 114.94 115.79 1ud3 s ASN 172 Ca -0.08 0.31 -0.27 0.00 -1.57 0.00 0.00 52.86 51.25 1ud3 s ASN 172 Cb -0.03 -2.13 0.08 0.00 -0.02 0.00 0.00 41.25 39.14 1ud3 s ASN 172 CO -0.03 0.11 0.68 -1.00 -2.57 0.00 0.00 177.10 174.29 1ud3 s HIS 173 N 0.63 -0.56 -0.47 2.20 3.76 -1.09 -5.00 115.29 114.77 1ud3 s HIS 173 Ca 0.11 0.66 -0.22 0.00 -0.15 0.00 0.00 55.06 55.47 1ud3 s HIS 173 Cb -0.12 0.49 0.03 0.00 1.11 0.00 0.00 32.58 34.09 1ud3 s HIS 173 CO 0.02 -0.69 0.74 0.42 -0.85 0.00 0.00 174.74 174.37 1ud3 s ILE 174 N -2.49 4.70 -0.14 0.60 -1.09 -1.26 -3.82 121.20 117.71 1ud3 s ILE 174 Ca -0.04 0.19 -0.07 0.00 -2.23 0.00 0.00 60.65 58.50 1ud3 s ILE 174 Cb -0.01 -4.31 -0.04 0.00 -1.58 0.00 0.00 42.46 36.53 1ud3 s ILE 174 CO -0.02 -0.74 0.09 -0.36 -1.23 0.00 0.00 174.94 172.68 1ud3 s PHE 175 N 3.13 3.38 -0.21 3.97 0.40 0.57 -0.74 117.98 128.48 1ud3 s PHE 175 Ca 0.26 0.30 -0.03 0.00 -0.60 0.00 0.00 56.93 56.86 1ud3 s PHE 175 Cb -0.14 -1.98 -0.00 0.00 0.51 0.00 0.00 43.02 41.41 1ud3 s PHE 175 CO 0.20 0.45 -0.07 0.50 0.70 0.00 0.00 175.22 177.00 1ud3 s ARG 176 N -0.40 3.32 0.04 0.44 3.52 -0.63 -2.30 118.95 122.95 1ud3 s ARG 176 Ca 0.10 -0.65 -0.34 0.00 -0.13 0.00 0.00 55.73 54.71 1ud3 s ARG 176 Cb -0.12 -2.94 -0.12 0.00 -1.56 0.00 0.00 34.95 30.21 1ud3 s ARG 176 CO 0.02 -0.19 1.75 1.19 -0.81 0.00 0.00 175.30 177.26 1ud3 n PHE 177 N 4.73 2.34 -1.66 5.12 3.72 -0.22 -2.18 117.46 129.30 1ud3 n PHE 177 Ca -0.19 0.09 -0.43 0.00 -0.05 0.00 0.00 57.45 56.87 1ud3 n PHE 177 Cb 0.51 -2.62 -0.01 0.00 -0.94 0.00 0.00 39.48 36.41 1ud3 n PHE 177 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1ud3 n ALA 178 N 5.16 0.80 -2.31 4.37 0.00 0.57 -2.00 120.51 127.11 1ud3 n ALA 178 Ca 0.20 0.38 -0.11 0.00 0.00 0.00 0.00 53.44 53.91 1ud3 n ALA 178 Cb 0.30 -2.18 0.00 0.00 0.00 0.00 0.00 19.45 17.57 1ud3 n ALA 178 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1ud3 n ASN 179 N 1.10 -3.60 -3.99 0.00 3.02 -1.26 -4.92 115.26 105.61 1ud3 n ASN 179 Ca 0.07 -0.04 -0.10 0.00 -0.03 0.00 0.00 54.58 54.48 1ud3 n ASN 179 Cb 0.34 -2.77 -0.11 0.00 -0.61 0.00 0.00 39.78 36.63 1ud3 n ASN 179 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1ud3 s THR 180 N -2.61 0.18 0.17 3.41 -4.23 -0.85 -5.16 115.64 106.54 1ud3 s THR 180 Ca 0.04 -0.87 0.05 0.00 -1.18 0.00 0.00 61.69 59.73 1ud3 s THR 180 Cb -0.02 -0.30 -0.04 0.00 1.34 0.00 0.00 72.50 73.48 1ud3 s THR 180 CO 0.04 -0.44 0.14 0.20 -0.54 0.00 0.00 174.62 174.03 1ud3 s ASN 181 N -1.37 5.55 0.29 3.99 -0.87 -1.26 -4.81 114.94 116.46 1ud3 s ASN 181 Ca -0.14 -0.12 -0.29 0.00 -1.57 0.00 0.00 52.86 50.74 1ud3 s ASN 181 Cb -0.09 -1.46 -0.10 0.00 -0.02 0.00 0.00 41.25 39.58 1ud3 s ASN 181 CO -0.01 0.07 1.13 0.26 -2.57 0.00 0.00 177.10 175.98 1ud3 s TRP 182 N -1.76 3.48 1.02 2.20 0.23 -1.26 -4.96 118.94 117.89 1ud3 s TRP 182 Ca 0.31 1.65 -0.16 0.00 -2.03 0.00 0.00 56.10 55.88 1ud3 s TRP 182 Cb -0.10 -3.34 0.05 0.00 0.03 0.00 0.00 33.47 30.11 1ud3 s TRP 182 CO 0.24 -0.77 0.13 0.09 0.96 0.00 0.00 176.95 177.60 1ud3 n ASN 183 N 1.06 -2.42 -3.63 2.95 3.02 -1.26 -5.03 115.26 109.94 1ud3 n ASN 183 Ca -0.01 0.13 -0.09 0.00 -0.03 0.00 0.00 54.58 54.58 1ud3 n ASN 183 Cb 0.44 -1.06 -0.07 0.00 -0.61 0.00 0.00 39.78 38.48 1ud3 n ASN 183 CO 0.00 0.00 0.00 0.86 -2.62 0.00 0.00 177.26 175.50 1ud3 s TRP 184 N -2.30 -0.45 0.31 3.10 -0.11 -1.26 -4.54 118.94 113.69 1ud3 s TRP 184 Ca 0.55 1.04 -0.18 0.00 1.22 0.00 0.00 56.10 58.73 1ud3 s TRP 184 Cb -0.16 0.38 -0.09 0.00 -1.50 0.00 0.00 33.47 32.10 1ud3 s TRP 184 CO 0.68 -0.25 0.77 0.50 -4.62 0.00 0.00 176.95 174.03 1ud3 s ARG 185 N -0.03 4.14 0.18 5.86 3.52 -1.26 -4.72 118.95 126.64 1ud3 s ARG 185 Ca 0.02 0.83 -0.05 0.00 -0.13 0.00 0.00 55.73 56.40 1ud3 s ARG 185 Cb -0.04 -2.55 -0.02 0.00 -1.56 0.00 0.00 34.95 30.77 1ud3 s ARG 185 CO -0.05 0.21 0.22 0.14 -0.81 0.00 0.00 175.30 175.01 1ud3 s VAL 186 N -1.85 0.04 0.40 7.11 -7.23 -1.26 -0.13 120.40 117.48 1ud3 s VAL 186 Ca 0.52 -1.70 -0.24 0.00 -1.81 0.00 0.00 61.98 58.74 1ud3 s VAL 186 Cb -0.12 -2.17 -0.11 0.00 0.56 0.00 0.00 36.38 34.53 1ud3 s VAL 186 CO 0.18 -0.18 0.91 -0.67 -0.31 0.00 0.00 175.10 175.03 1ud3 n ASP 187 N -0.24 0.80 -1.56 4.85 2.03 -0.28 -4.74 116.55 117.41 1ud3 n ASP 187 Ca -0.03 1.02 0.10 0.00 0.52 0.00 0.00 54.79 56.41 1ud3 n ASP 187 Cb 0.64 -1.29 0.36 0.00 -0.72 0.00 0.00 41.12 40.10 1ud3 n ASP 187 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1ud3 n GLU 188 N 0.29 3.54 -2.26 -0.67 1.02 -1.26 -0.79 120.64 120.49 1ud3 n GLU 188 Ca 0.10 -2.86 -0.41 0.00 -0.02 0.00 0.00 57.16 53.97 1ud3 n GLU 188 Cb 0.38 -1.83 -0.03 0.00 -0.02 0.00 0.00 31.44 29.94 1ud3 n GLU 188 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 1ud3 s GLU 189 N -1.65 4.46 -0.97 3.49 2.12 -1.26 -1.09 118.70 123.80 1ud3 s GLU 189 Ca 0.52 2.03 0.00 0.00 0.36 0.00 0.00 54.97 57.88 1ud3 s GLU 189 Cb 0.32 -3.15 0.00 0.00 0.26 0.00 0.00 34.13 31.56 1ud3 s GLU 189 CO 0.27 -0.08 0.00 0.09 -0.54 0.00 0.00 175.26 175.01 1ud3 n ASN 190 N 1.45 -3.85 0.00 -1.70 3.02 -1.26 -3.33 115.26 109.59 1ud3 n ASN 190 Ca 0.01 0.14 0.00 0.00 -0.03 0.00 0.00 54.58 54.71 1ud3 n ASN 190 Cb 0.43 -2.58 0.00 0.00 -0.61 0.00 0.00 39.78 37.02 1ud3 n ASN 190 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ud3 n GLY 191 N -1.47 2.18 2.82 7.41 0.00 -0.25 -1.60 105.19 114.28 1ud3 n GLY 191 Ca -0.11 -0.10 -0.26 0.00 0.00 0.00 0.00 46.02 45.56 1ud3 n GLY 191 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1ud3 s ASN 192 N -0.18 2.20 -0.56 1.61 3.84 -1.25 -4.35 114.94 116.25 1ud3 s ASN 192 Ca 0.00 -0.38 0.01 0.00 0.21 0.00 0.00 52.86 52.70 1ud3 s ASN 192 Cb 0.00 -0.65 0.55 0.00 -0.55 0.00 0.00 41.25 40.60 1ud3 s ASN 192 CO 0.00 -0.19 1.97 0.00 -2.79 0.00 0.00 177.10 176.08 1ud3 n TYR 193 N 5.03 3.13 -0.13 0.43 4.19 0.03 -4.42 117.16 125.41 1ud3 n TYR 193 Ca -0.10 -2.45 -0.11 0.00 3.31 0.00 0.00 57.90 58.55 1ud3 n TYR 193 Cb 0.49 -1.19 -0.02 0.00 0.49 0.00 0.00 39.34 39.10 1ud3 n TYR 193 CO 0.00 0.00 0.00 0.22 0.91 0.00 0.00 176.86 177.99 1ud3 h ASP 194 N 1.52 0.67 -3.36 2.98 3.58 -1.80 -3.39 116.42 116.62 1ud3 h ASP 194 Ca 0.62 -0.34 -0.57 0.00 0.42 0.00 0.00 57.03 57.16 1ud3 h ASP 194 Cb 1.80 -0.18 -0.06 0.00 1.72 0.00 0.00 39.33 42.60 1ud3 h ASP 194 CO 1.34 0.85 0.11 -0.47 -2.88 0.00 0.00 179.24 178.19 1ud3 s TYR 195 N -4.89 3.52 0.08 0.28 5.04 -1.26 -4.76 117.35 115.36 1ud3 s TYR 195 Ca -0.13 1.16 -0.00 0.00 -2.44 0.00 0.00 57.07 55.66 1ud3 s TYR 195 Cb 0.10 -2.80 -0.00 0.00 0.35 0.00 0.00 41.96 39.60 1ud3 s TYR 195 CO 0.79 0.01 -0.01 -0.11 -1.34 0.00 0.00 175.55 174.90 1ud3 n LEU 196 N 4.15 1.04 -3.82 6.97 7.94 -1.26 -5.12 117.00 126.89 1ud3 n LEU 196 Ca -0.01 0.13 -0.06 0.00 -1.11 0.00 0.00 56.01 54.97 1ud3 n LEU 196 Cb 0.51 -0.32 -0.02 0.00 0.53 0.00 0.00 43.42 44.12 1ud3 n LEU 196 CO 0.46 -0.72 0.58 -1.48 -1.11 0.00 0.00 177.39 175.11 1ud3 s LEU 197 N -6.84 -0.22 0.00 -1.96 2.34 -1.26 -5.05 118.68 105.70 1ud3 s LEU 197 Ca -0.01 -0.54 0.00 0.00 0.06 0.00 0.00 54.13 53.64 1ud3 s LEU 197 Cb 0.00 2.50 0.00 0.00 -0.56 0.00 0.00 46.19 48.13 1ud3 s LEU 197 CO 0.01 -1.18 0.00 0.61 -1.06 0.00 0.00 176.35 174.73 1ud3 n GLY 198 N -0.47 0.89 3.55 -3.48 0.00 -1.26 -4.37 105.19 100.05 1ud3 n GLY 198 Ca -0.05 -0.75 -0.42 0.00 0.00 0.00 0.00 46.02 44.81 1ud3 n GLY 198 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ud3 s SER 199 N -4.00 6.32 -0.16 1.61 0.01 -0.66 -4.20 113.70 112.62 1ud3 s SER 199 Ca 0.00 -0.10 -0.29 0.00 1.31 0.00 0.00 55.95 56.87 1ud3 s SER 199 Cb 0.00 -2.28 -0.01 0.00 0.21 0.00 0.00 66.02 63.94 1ud3 s SER 199 CO 0.00 -0.54 1.20 0.21 0.41 0.00 0.00 173.24 174.52 1ud3 s ASN 200 N 1.80 7.00 0.12 2.44 2.47 -0.64 -2.26 114.94 125.87 1ud3 s ASN 200 Ca 0.19 1.64 -0.31 0.00 0.42 0.00 0.00 52.86 54.80 1ud3 s ASN 200 Cb -0.15 -2.54 -0.08 0.00 -1.45 0.00 0.00 41.25 37.03 1ud3 s ASN 200 CO 0.14 -0.71 1.33 -0.63 -3.72 0.00 0.00 177.10 173.51 1ud3 s ILE 201 N 3.23 3.44 -0.42 -5.21 1.01 -1.01 -1.37 121.20 120.88 1ud3 s ILE 201 Ca 0.52 1.07 -0.16 0.00 0.00 0.00 0.00 60.65 62.08 1ud3 s ILE 201 Cb -0.21 -3.68 0.02 0.00 0.01 0.00 0.00 42.46 38.60 1ud3 s ILE 201 CO 0.14 0.10 0.38 -0.62 0.00 0.00 0.00 174.94 174.94 1ud3 s ASP 202 N 0.90 6.16 0.00 3.58 -1.08 -0.31 -4.81 116.67 121.11 1ud3 s ASP 202 Ca 0.61 -0.76 0.29 0.00 -0.52 0.00 0.00 52.55 52.17 1ud3 s ASP 202 Cb -0.35 -2.20 1.51 0.00 -1.46 0.00 0.00 42.92 40.42 1ud3 s ASP 202 CO 0.32 -0.52 2.00 0.49 0.52 0.00 0.00 175.17 177.97 1ud3 n PHE 203 N 5.42 0.01 0.22 -5.34 3.01 -1.26 -3.70 117.46 115.82 1ud3 n PHE 203 Ca -0.09 -0.01 0.05 0.00 1.01 0.00 0.00 57.45 58.42 1ud3 n PHE 203 Cb 0.47 0.00 0.49 0.00 -0.01 0.00 0.00 39.48 40.44 1ud3 n PHE 203 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 1ud3 h SER 204 N 0.73 0.00 -3.17 4.37 4.64 -1.95 -3.43 113.55 114.75 1ud3 h SER 204 Ca 0.00 0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 60.77 1ud3 h SER 204 Cb 0.16 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.23 1ud3 h SER 204 CO 0.00 0.22 0.61 -1.00 -0.87 0.00 0.00 176.83 175.79 1ud3 s HIS 205 N -4.49 3.34 0.28 4.77 3.76 -1.24 -4.95 115.29 116.75 1ud3 s HIS 205 Ca -0.04 1.34 -0.03 0.00 -0.15 0.00 0.00 55.06 56.19 1ud3 s HIS 205 Cb 0.15 -3.36 0.40 0.00 1.11 0.00 0.00 32.58 30.88 1ud3 s HIS 205 CO 0.69 -1.01 1.93 -1.35 -0.85 0.00 0.00 174.74 174.15 1ud3 h PRO 206 N 7.20 1.15 0.00 8.40 0.11 -1.94 -2.17 132.00 144.75 1ud3 h PRO 206 Ca -0.36 -0.07 -0.02 0.00 0.11 0.00 0.00 66.00 65.66 1ud3 h PRO 206 Cb 1.18 -0.26 -0.00 0.00 0.11 0.00 0.00 31.00 32.02 1ud3 h PRO 206 CO 0.85 0.76 -0.10 1.05 -0.21 0.00 0.00 178.00 180.36 1ud3 h GLU 207 N 1.19 0.00 0.12 1.05 9.09 -1.95 -1.15 114.58 122.93 1ud3 h GLU 207 Ca 0.37 0.00 -0.21 0.00 0.05 0.00 0.00 59.36 59.57 1ud3 h GLU 207 Cb -0.01 0.00 0.02 0.00 -1.65 0.00 0.00 28.75 27.11 1ud3 h GLU 207 CO -0.11 0.10 -0.89 0.28 0.05 0.00 0.00 179.01 178.44 1ud3 h VAL 208 N 0.00 1.44 -0.56 -1.06 2.07 -1.74 -2.02 116.25 114.38 1ud3 h VAL 208 Ca -0.00 -2.43 0.05 0.00 0.82 0.00 0.00 66.70 65.13 1ud3 h VAL 208 Cb 0.18 2.98 -0.05 0.00 -1.52 0.00 0.00 31.29 32.87 1ud3 h VAL 208 CO 0.01 0.70 0.29 1.56 0.02 0.00 0.00 177.57 180.16 1ud3 h GLN 209 N -0.17 0.55 -0.28 1.57 4.20 -1.05 -2.24 115.11 117.68 1ud3 h GLN 209 Ca -0.14 -0.03 -0.17 0.00 0.06 0.00 0.00 58.65 58.36 1ud3 h GLN 209 Cb 1.66 -0.12 -0.00 0.00 0.30 0.00 0.00 27.48 29.31 1ud3 h GLN 209 CO 0.17 0.36 -0.50 -0.44 -0.67 0.00 0.00 178.83 177.75 1ud3 h ASP 210 N 0.56 0.88 -0.05 1.46 3.32 -1.29 -2.83 116.42 118.47 1ud3 h ASP 210 Ca 0.25 -0.45 0.00 0.00 0.02 0.00 0.00 57.03 56.85 1ud3 h ASP 210 Cb 0.15 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 39.44 1ud3 h ASP 210 CO -0.16 1.22 0.03 -0.08 -1.72 0.00 0.00 179.24 178.53 1ud3 h GLU 211 N 0.63 0.06 0.00 3.56 4.57 -1.03 -0.43 114.58 121.94 1ud3 h GLU 211 Ca 0.03 -0.00 -0.04 0.00 -1.18 0.00 0.00 59.36 58.16 1ud3 h GLU 211 Cb 1.09 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.66 1ud3 h GLU 211 CO 0.11 0.04 -0.18 -0.07 -1.18 0.00 0.00 179.01 177.73 1ud3 h LEU 212 N 0.06 0.00 -0.03 1.64 3.38 -1.47 0.11 115.31 119.00 1ud3 h LEU 212 Ca 0.02 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.93 1ud3 h LEU 212 Cb -0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1ud3 h LEU 212 CO -0.01 0.18 -0.22 0.11 0.09 0.00 0.00 178.44 178.59 1ud3 h LYS 213 N 0.00 0.21 -0.54 1.13 1.57 -1.21 0.20 116.57 117.93 1ud3 h LYS 213 Ca -0.00 -0.18 -0.02 0.00 -1.87 0.00 0.00 60.65 58.58 1ud3 h LYS 213 Cb 0.57 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.89 1ud3 h LYS 213 CO 0.02 0.85 0.27 -0.44 -0.57 0.00 0.00 179.45 179.58 1ud3 h ASP 214 N -0.37 0.70 -0.33 0.86 3.32 -0.77 -1.36 116.42 118.47 1ud3 h ASP 214 Ca -0.02 -0.12 -0.01 0.00 0.02 0.00 0.00 57.03 56.90 1ud3 h ASP 214 Cb 0.90 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 40.25 1ud3 h ASP 214 CO 0.05 0.62 0.18 -0.25 -1.72 0.00 0.00 179.24 178.12 1ud3 h TRP 215 N 0.72 0.46 -0.83 4.55 7.01 -0.81 0.92 115.95 127.98 1ud3 h TRP 215 Ca 0.19 -0.01 0.15 0.00 2.11 0.00 0.00 58.89 61.32 1ud3 h TRP 215 Cb 0.10 -0.15 -0.09 0.00 -2.10 0.00 0.00 29.16 26.92 1ud3 h TRP 215 CO -0.01 0.38 0.41 0.78 -2.79 0.00 0.00 178.44 177.21 1ud3 h GLY 216 N 0.41 1.33 1.53 2.65 0.00 -0.51 0.24 103.07 108.71 1ud3 h GLY 216 Ca 0.12 -0.23 -0.20 0.00 0.00 0.00 0.00 47.33 47.02 1ud3 h GLY 216 CO -0.02 -0.05 -0.80 0.23 0.00 0.00 0.00 176.54 175.90 1ud3 h SER 217 N 0.58 0.55 -0.12 0.19 0.87 -0.84 -1.36 113.55 113.41 1ud3 h SER 217 Ca 0.45 -0.39 -0.01 0.00 -1.23 0.00 0.00 61.79 60.62 1ud3 h SER 217 Cb 0.65 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 62.44 1ud3 h SER 217 CO -0.37 1.15 0.05 -0.25 -0.53 0.00 0.00 176.83 176.88 1ud3 h TRP 218 N 0.29 0.19 0.11 2.24 7.01 0.43 -0.98 115.95 125.25 1ud3 h TRP 218 Ca -0.05 -0.02 0.01 0.00 2.11 0.00 0.00 58.89 60.95 1ud3 h TRP 218 Cb 1.40 -0.06 -0.02 0.00 -2.10 0.00 0.00 29.16 28.39 1ud3 h TRP 218 CO 0.05 0.29 -0.16 0.35 -2.79 0.00 0.00 178.44 176.18 1ud3 h PHE 219 N 0.04 -0.41 -0.62 2.65 3.57 -0.59 0.13 116.94 121.71 1ud3 h PHE 219 Ca 0.04 0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.63 1ud3 h PHE 219 Cb 0.18 0.17 -0.07 0.00 2.79 0.00 0.00 35.95 39.02 1ud3 h PHE 219 CO -0.01 -0.24 0.28 1.15 -2.23 0.00 0.00 178.31 177.26 1ud3 h THR 220 N -0.32 0.84 -0.08 4.41 2.02 -1.16 -1.22 112.91 117.40 1ud3 h THR 220 Ca 0.02 -0.17 -0.17 0.00 0.77 0.00 0.00 66.41 66.86 1ud3 h THR 220 Cb 0.33 0.30 -0.01 0.00 -1.74 0.00 0.00 68.15 67.02 1ud3 h THR 220 CO -0.07 0.09 -0.67 0.44 0.37 0.00 0.00 175.52 175.68 1ud3 h ASP 221 N 0.50 0.39 -0.56 4.18 5.19 -0.94 0.43 116.42 125.61 1ud3 h ASP 221 Ca 0.30 -0.24 -0.08 0.00 -0.62 0.00 0.00 57.03 56.39 1ud3 h ASP 221 Cb 0.32 -0.11 -0.02 0.00 0.18 0.00 0.00 39.33 39.69 1ud3 h ASP 221 CO -0.26 0.95 0.04 -0.08 -3.12 0.00 0.00 179.24 176.77 1ud3 h GLU 222 N 0.24 0.96 -0.02 3.56 4.57 -0.00 -3.26 114.58 120.63 1ud3 h GLU 222 Ca -0.02 -0.29 0.00 0.00 -1.18 0.00 0.00 59.36 57.88 1ud3 h GLU 222 Cb 1.22 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 29.71 1ud3 h GLU 222 CO 0.11 0.95 -0.24 1.28 -1.18 0.00 0.00 179.01 179.93 1ud3 n LEU 223 N -4.29 2.10 -3.66 1.64 4.77 -0.53 -4.99 117.00 112.05 1ud3 n LEU 223 Ca 0.02 -0.86 -0.22 0.00 -0.03 0.00 0.00 56.01 54.93 1ud3 n LEU 223 Cb 0.31 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.45 1ud3 n LEU 223 CO 0.43 0.38 0.04 -0.67 -1.33 0.00 0.00 177.39 176.23 1ud3 n ASP 224 N 0.37 -2.49 -4.74 -1.43 4.64 0.11 -4.93 116.55 108.08 1ud3 n ASP 224 Ca 0.09 -0.73 -0.33 0.00 -1.38 0.00 0.00 54.79 52.43 1ud3 n ASP 224 Cb 0.42 -4.40 0.08 0.00 -1.04 0.00 0.00 41.12 36.19 1ud3 n ASP 224 CO 0.00 0.00 0.00 -0.76 -0.82 0.00 0.00 177.20 175.62 1ud3 s LEU 225 N -6.76 3.27 0.00 -2.67 1.43 -1.00 -4.87 118.68 108.08 1ud3 s LEU 225 Ca 0.17 2.16 0.09 0.00 -1.03 0.00 0.00 54.13 55.52 1ud3 s LEU 225 Cb -0.08 -4.57 0.22 0.00 0.03 0.00 0.00 46.19 41.80 1ud3 s LEU 225 CO 0.79 -2.10 1.13 0.47 0.23 0.00 0.00 176.35 176.87 1ud3 n ASP 226 N -2.84 2.58 0.00 2.29 8.00 1.00 -4.98 116.55 122.61 1ud3 n ASP 226 Ca 0.12 -1.87 0.00 0.00 0.71 0.00 0.00 54.79 53.75 1ud3 n ASP 226 Cb 0.51 -0.16 0.00 0.00 -0.02 0.00 0.00 41.12 41.46 1ud3 n ASP 226 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ud3 n GLY 227 N 0.42 -1.91 3.17 0.44 0.00 -1.18 -1.26 105.19 104.87 1ud3 n GLY 227 Ca 0.09 -1.22 -0.08 0.00 0.00 0.00 0.00 46.02 44.81 1ud3 n GLY 227 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ud3 s TYR 228 N -2.61 0.33 -0.20 1.61 1.51 -0.12 -1.82 117.35 116.05 1ud3 s TYR 228 Ca 0.00 -0.80 0.01 0.00 -1.01 0.00 0.00 57.07 55.27 1ud3 s TYR 228 Cb 0.00 -0.20 0.02 0.00 -0.11 0.00 0.00 41.96 41.68 1ud3 s TYR 228 CO 0.00 -0.50 -0.17 0.50 -1.11 0.00 0.00 175.55 174.27 1ud3 s ARG 229 N -3.90 2.91 -0.39 -0.62 3.00 -0.78 -1.58 118.95 117.59 1ud3 s ARG 229 Ca 0.07 -0.89 -0.18 0.00 -1.00 0.00 0.00 55.73 53.73 1ud3 s ARG 229 Cb 0.06 -2.66 0.01 0.00 0.00 0.00 0.00 34.95 32.36 1ud3 s ARG 229 CO -0.09 -0.27 0.48 -0.51 0.00 0.00 0.00 175.30 174.91 1ud3 s LEU 230 N 1.28 4.60 0.39 -0.88 1.43 0.61 -0.56 118.68 125.56 1ud3 s LEU 230 Ca 0.03 -0.38 -0.26 0.00 -1.03 0.00 0.00 54.13 52.49 1ud3 s LEU 230 Cb -0.14 -2.49 -0.09 0.00 0.03 0.00 0.00 46.19 43.50 1ud3 s LEU 230 CO -0.11 -0.55 1.22 -0.62 0.23 0.00 0.00 176.35 176.51 1ud3 s ASP 231 N 1.82 6.48 -1.03 2.29 2.15 -0.49 -0.78 116.67 127.12 1ud3 s ASP 231 Ca 0.16 2.46 -0.02 0.00 0.43 0.00 0.00 52.55 55.58 1ud3 s ASP 231 Cb -0.16 -2.62 0.02 0.00 -0.30 0.00 0.00 42.92 39.85 1ud3 s ASP 231 CO 0.14 -0.71 0.05 0.00 -0.17 0.00 0.00 175.17 174.48 1ud3 n ALA 232 N 0.16 -1.55 0.54 3.66 0.00 -1.25 -4.70 120.51 117.36 1ud3 n ALA 232 Ca 0.04 -0.26 0.07 0.00 0.00 0.00 0.00 53.44 53.29 1ud3 n ALA 232 Cb 0.45 -0.64 0.32 0.00 0.00 0.00 0.00 19.45 19.58 1ud3 n ALA 232 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 1ud3 n ILE 233 N -3.27 0.91 0.66 0.00 -5.35 -1.06 -2.22 119.36 109.04 1ud3 n ILE 233 Ca -0.18 0.23 0.13 0.00 -0.27 0.00 0.00 62.75 62.66 1ud3 n ILE 233 Cb 0.44 -0.98 0.41 0.00 -1.74 0.00 0.00 39.64 37.77 1ud3 n ILE 233 CO 0.00 0.00 0.00 2.29 -1.76 0.00 0.00 176.55 177.08 1ud3 n LYS 234 N -1.45 0.24 -0.10 6.28 2.85 -1.26 -2.83 118.16 121.89 1ud3 n LYS 234 Ca 0.04 0.19 0.12 0.00 -1.05 0.00 0.00 58.31 57.61 1ud3 n LYS 234 Cb 0.16 -1.77 0.18 0.00 -0.65 0.00 0.00 35.03 32.95 1ud3 n LYS 234 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 1ud3 n HIS 235 N -2.19 0.26 -4.81 5.58 8.25 -0.94 -1.12 115.22 120.25 1ud3 n HIS 235 Ca 0.06 -0.13 -0.33 0.00 -0.26 0.00 0.00 57.72 57.06 1ud3 n HIS 235 Cb 0.42 0.00 -0.14 0.00 1.12 0.00 0.00 29.99 31.40 1ud3 n HIS 235 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1ud3 s ILE 236 N -1.74 3.11 -0.31 1.59 1.01 -1.13 -4.52 121.20 119.21 1ud3 s ILE 236 Ca 0.34 -0.67 -0.42 0.00 0.00 0.00 0.00 60.65 59.90 1ud3 s ILE 236 Cb 0.21 -2.27 -0.17 0.00 0.01 0.00 0.00 42.46 40.25 1ud3 s ILE 236 CO 0.31 0.55 1.69 -0.81 0.00 0.00 0.00 174.94 176.69 1ud3 n PRO 237 N 2.97 0.88 -0.25 2.79 -0.04 -1.25 -4.75 135.00 135.35 1ud3 n PRO 237 Ca -0.18 0.32 0.05 0.00 -0.04 0.00 0.00 63.50 63.65 1ud3 n PRO 237 Cb 0.52 -1.96 0.18 0.00 -0.04 0.00 0.00 33.50 32.20 1ud3 n PRO 237 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 1ud3 h PHE 238 N 6.60 0.45 -0.82 0.54 0.04 -0.82 -1.64 116.94 121.29 1ud3 h PHE 238 Ca -0.46 0.04 0.06 0.00 2.80 0.00 0.00 57.97 60.41 1ud3 h PHE 238 Cb 1.33 -0.09 -0.05 0.00 2.20 0.00 0.00 35.95 39.34 1ud3 h PHE 238 CO 0.74 0.03 0.53 0.11 -0.60 0.00 0.00 178.31 179.12 1ud3 h TRP 239 N 0.40 0.92 -0.18 -0.55 5.08 -1.86 -2.88 115.95 116.87 1ud3 h TRP 239 Ca 0.40 0.02 -0.15 0.00 1.08 0.00 0.00 58.89 60.24 1ud3 h TRP 239 Cb 0.62 -0.30 0.00 0.00 -3.00 0.00 0.00 29.16 26.48 1ud3 h TRP 239 CO -0.19 0.49 -0.48 -0.92 -1.28 0.00 0.00 178.44 176.07 1ud3 h TYR 240 N 0.92 0.83 -0.57 0.12 3.20 -1.67 -2.49 116.97 117.32 1ud3 h TYR 240 Ca 0.35 -0.32 0.07 0.00 3.14 0.00 0.00 58.73 61.97 1ud3 h TYR 240 Cb 0.19 -0.15 -0.06 0.00 1.54 0.00 0.00 36.73 38.26 1ud3 h TYR 240 CO -0.00 1.10 0.24 1.15 -1.64 0.00 0.00 178.16 179.01 1ud3 h THR 241 N 0.33 0.85 -0.20 1.81 2.02 -1.35 0.36 112.91 116.73 1ud3 h THR 241 Ca -0.01 -0.15 -0.00 0.00 0.77 0.00 0.00 66.41 67.02 1ud3 h THR 241 Cb 1.09 0.36 -0.01 0.00 -1.74 0.00 0.00 68.15 67.86 1ud3 h THR 241 CO 0.10 0.08 0.12 -1.28 0.37 0.00 0.00 175.52 174.92 1ud3 h SER 242 N 0.45 0.24 -0.10 4.18 0.87 -1.53 0.13 113.55 117.79 1ud3 h SER 242 Ca 0.27 -0.04 0.04 0.00 -1.23 0.00 0.00 61.79 60.83 1ud3 h SER 242 Cb 0.28 -0.06 -0.04 0.00 -0.44 0.00 0.00 62.40 62.13 1ud3 h SER 242 CO -0.24 0.20 -0.17 0.44 -0.53 0.00 0.00 176.83 176.53 1ud3 h ASP 243 N 0.25 -0.51 -0.06 6.23 3.32 -0.76 0.23 116.42 125.13 1ud3 h ASP 243 Ca 0.07 0.09 0.03 0.00 0.02 0.00 0.00 57.03 57.24 1ud3 h ASP 243 Cb 0.01 0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.75 1ud3 h ASP 243 CO -0.01 -0.22 -0.13 -0.25 -1.72 0.00 0.00 179.24 176.91 1ud3 h TRP 244 N -0.22 -0.34 -0.02 4.55 7.01 -0.04 0.92 115.95 127.81 1ud3 h TRP 244 Ca 0.08 0.02 0.03 0.00 2.11 0.00 0.00 58.89 61.13 1ud3 h TRP 244 Cb 0.34 0.16 -0.04 0.00 -2.10 0.00 0.00 29.16 27.52 1ud3 h TRP 244 CO -0.26 -0.20 -0.21 0.28 -2.79 0.00 0.00 178.44 175.26 1ud3 h VAL 245 N -0.19 0.50 -0.76 2.65 2.07 -0.40 0.12 116.25 120.23 1ud3 h VAL 245 Ca 0.07 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.65 1ud3 h VAL 245 Cb 0.28 0.50 -0.05 0.00 -1.52 0.00 0.00 31.29 30.50 1ud3 h VAL 245 CO -0.17 0.00 0.50 0.03 0.02 0.00 0.00 177.57 177.95 1ud3 h ARG 246 N -0.33 0.77 -0.18 1.57 3.08 -0.65 -1.78 114.38 116.86 1ud3 h ARG 246 Ca 0.06 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 60.05 1ud3 h ARG 246 Cb 0.42 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.29 1ud3 h ARG 246 CO -0.21 0.51 0.05 1.25 -1.07 0.00 0.00 179.97 180.50 1ud3 h HIS 247 N 0.79 0.31 -0.34 3.04 2.76 0.45 -2.00 115.15 120.16 1ud3 h HIS 247 Ca 0.33 -0.04 0.00 0.00 -2.20 0.00 0.00 60.37 58.47 1ud3 h HIS 247 Cb 0.28 -0.09 -0.02 0.00 1.55 0.00 0.00 27.41 29.14 1ud3 h HIS 247 CO -0.00 0.42 0.22 1.96 -1.30 0.00 0.00 177.93 179.22 1ud3 h GLN 248 N 0.11 0.45 0.00 5.26 1.08 -0.38 -1.00 115.11 120.63 1ud3 h GLN 248 Ca 0.06 -0.03 -0.02 0.00 -1.45 0.00 0.00 58.65 57.21 1ud3 h GLN 248 Cb 0.26 -0.10 -0.00 0.00 -0.05 0.00 0.00 27.48 27.59 1ud3 h GLN 248 CO 0.00 0.31 -0.09 0.00 -0.95 0.00 0.00 178.83 178.09 1ud3 h ARG 249 N 0.45 0.00 -0.15 1.46 3.08 -1.32 0.16 114.38 118.06 1ud3 h ARG 249 Ca 0.12 0.00 -0.19 0.00 0.07 0.00 0.00 59.98 59.98 1ud3 h ARG 249 Cb -0.04 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.02 1ud3 h ARG 249 CO -0.03 0.09 -0.66 -0.97 -1.07 0.00 0.00 179.97 177.34 1ud3 h ASN 250 N 0.00 0.85 1.10 7.04 -0.73 -0.53 -3.31 115.58 119.99 1ud3 h ASN 250 Ca -0.00 -0.62 -0.18 0.00 1.87 0.00 0.00 56.30 57.37 1ud3 h ASN 250 Cb 0.19 -0.25 -0.03 0.00 0.27 0.00 0.00 38.32 38.51 1ud3 h ASN 250 CO 0.01 1.32 -0.84 -0.33 -0.37 0.00 0.00 177.43 177.23 1ud3 h GLU 251 N 0.42 0.00 -5.91 6.67 4.39 -0.55 -3.45 114.58 116.14 1ud3 h GLU 251 Ca -0.04 0.00 -0.59 0.00 0.34 0.00 0.00 59.36 59.07 1ud3 h GLU 251 Cb 1.29 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 29.87 1ud3 h GLU 251 CO 0.14 0.84 -0.16 0.00 -1.16 0.00 0.00 179.01 178.66 1ud3 s ALA 252 N -2.85 3.59 0.02 3.43 0.00 -0.02 -4.99 121.76 120.95 1ud3 s ALA 252 Ca 0.02 -0.18 -0.19 0.00 0.00 0.00 0.00 51.96 51.60 1ud3 s ALA 252 Cb 0.10 -2.53 -0.20 0.00 0.00 0.00 0.00 23.12 20.48 1ud3 s ALA 252 CO 0.79 0.26 1.17 -0.44 0.00 0.00 0.00 175.76 177.54 1ud3 h ASP 253 N 5.57 0.54 -4.26 0.00 3.32 -1.88 -3.46 116.42 116.26 1ud3 h ASP 253 Ca -0.47 -0.69 -0.52 0.00 0.02 0.00 0.00 57.03 55.37 1ud3 h ASP 253 Cb 1.20 -0.16 0.14 0.00 0.22 0.00 0.00 39.33 40.73 1ud3 h ASP 253 CO 0.68 1.15 0.32 0.00 -1.72 0.00 0.00 179.24 179.67 1ud3 s GLN 254 N -3.47 2.09 0.60 3.56 0.00 -1.26 -5.00 119.66 116.19 1ud3 s GLN 254 Ca -0.13 1.38 -0.15 0.00 -0.00 0.00 0.00 55.36 56.46 1ud3 s GLN 254 Cb 0.04 -1.86 -0.03 0.00 0.00 0.00 0.00 33.01 31.16 1ud3 s GLN 254 CO 0.82 -1.80 1.05 -0.51 0.00 0.00 0.00 175.29 174.85 1ud3 s ASP 255 N -2.87 5.80 -0.13 12.60 1.01 -1.26 -5.01 116.67 126.81 1ud3 s ASP 255 Ca 0.65 1.77 -0.01 0.00 0.71 0.00 0.00 52.55 55.67 1ud3 s ASP 255 Cb -0.21 -2.53 0.03 0.00 1.01 0.00 0.00 42.92 41.23 1ud3 s ASP 255 CO 0.52 -1.16 -0.05 -0.76 0.21 0.00 0.00 175.17 173.93 1ud3 s LEU 256 N -4.62 1.25 0.13 1.23 1.43 -1.26 -4.62 118.68 112.22 1ud3 s LEU 256 Ca 0.62 -0.44 -0.23 0.00 -1.03 0.00 0.00 54.13 53.05 1ud3 s LEU 256 Cb -0.15 -0.79 -0.07 0.00 0.03 0.00 0.00 46.19 45.21 1ud3 s LEU 256 CO 0.39 -0.17 0.71 0.12 0.23 0.00 0.00 176.35 177.63 1ud3 s PHE 257 N 1.73 3.87 -0.07 0.29 5.36 -0.39 -4.89 117.98 123.88 1ud3 s PHE 257 Ca 0.03 1.51 0.01 0.00 -0.96 0.00 0.00 56.93 57.52 1ud3 s PHE 257 Cb -0.14 -2.68 0.02 0.00 -0.34 0.00 0.00 43.02 39.88 1ud3 s PHE 257 CO -0.08 0.53 -0.09 0.08 -1.46 0.00 0.00 175.22 174.21 1ud3 s VAL 258 N -1.09 0.94 -0.08 3.12 1.01 -1.26 -0.95 120.40 122.09 1ud3 s VAL 258 Ca 0.34 -0.33 0.02 0.00 0.00 0.00 0.00 61.98 62.01 1ud3 s VAL 258 Cb -0.22 -0.91 0.01 0.00 0.00 0.00 0.00 36.38 35.27 1ud3 s VAL 258 CO 0.24 0.32 -0.13 0.54 0.00 0.00 0.00 175.10 176.07 1ud3 s VAL 259 N 1.00 1.26 0.03 2.92 0.11 -0.61 -0.95 120.40 124.16 1ud3 s VAL 259 Ca -0.09 -0.53 0.02 0.00 -2.93 0.00 0.00 61.98 58.45 1ud3 s VAL 259 Cb -0.15 -1.15 -0.04 0.00 -1.53 0.00 0.00 36.38 33.51 1ud3 s VAL 259 CO -0.00 0.39 0.01 -0.83 -3.33 0.00 0.00 175.10 171.34 1ud3 s GLY 260 N 0.78 1.91 -0.65 6.54 0.00 -0.24 -0.28 107.32 115.37 1ud3 s GLY 260 Ca -0.12 -0.99 -0.17 0.00 0.00 0.00 0.00 44.72 43.44 1ud3 s GLY 260 CO 0.02 -0.89 0.69 1.85 0.00 0.00 0.00 173.10 174.78 1ud3 s GLU 261 N -1.81 3.19 -0.72 2.90 2.12 0.04 -2.37 118.70 122.06 1ud3 s GLU 261 Ca 0.22 -1.72 -0.07 0.00 0.36 0.00 0.00 54.97 53.76 1ud3 s GLU 261 Cb -0.12 -4.37 0.19 0.00 0.26 0.00 0.00 34.13 30.09 1ud3 s GLU 261 CO 0.13 -1.45 0.58 -0.47 -0.54 0.00 0.00 175.26 173.52 1ud3 s TYR 262 N 1.83 3.55 -0.87 5.30 6.14 -1.26 -2.56 117.35 129.49 1ud3 s TYR 262 Ca 0.12 -2.44 -0.25 0.00 0.64 0.00 0.00 57.07 55.14 1ud3 s TYR 262 Cb -0.21 -3.45 0.01 0.00 0.42 0.00 0.00 41.96 38.73 1ud3 s TYR 262 CO 0.01 -0.90 1.62 -0.46 0.64 0.00 0.00 175.55 176.46 1ud3 s TRP 263 N -0.03 2.14 -0.23 4.97 -0.11 -1.26 -4.84 118.94 119.58 1ud3 s TRP 263 Ca 0.18 -0.01 -0.14 0.00 1.22 0.00 0.00 56.10 57.34 1ud3 s TRP 263 Cb -0.16 -4.41 0.07 0.00 -1.50 0.00 0.00 33.47 27.47 1ud3 s TRP 263 CO -0.06 -1.97 0.57 0.21 -4.62 0.00 0.00 176.95 171.08 1ud3 s LYS 264 N 6.03 0.59 -1.41 5.86 2.20 -1.26 -5.04 119.74 126.71 1ud3 s LYS 264 Ca 0.54 0.99 -0.09 0.00 -0.36 0.00 0.00 55.97 57.04 1ud3 s LYS 264 Cb -0.05 0.12 0.07 0.00 -1.51 0.00 0.00 37.83 36.46 1ud3 s LYS 264 CO 0.02 -0.14 2.34 -3.47 -0.36 0.00 0.00 175.35 173.74 1ud3 n ASP 265 N 3.98 6.52 -3.15 1.43 2.03 -1.26 -4.33 116.55 121.76 1ud3 n ASP 265 Ca -0.20 -2.95 0.04 0.00 0.52 0.00 0.00 54.79 52.20 1ud3 n ASP 265 Cb 0.57 -1.50 -0.00 0.00 -0.72 0.00 0.00 41.12 39.47 1ud3 n ASP 265 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1ud3 s ASP 266 N 1.47 -1.62 0.46 1.67 -1.08 -1.26 -4.95 116.67 111.36 1ud3 s ASP 266 Ca 0.52 0.23 0.13 0.00 -0.52 0.00 0.00 52.55 52.91 1ud3 s ASP 266 Cb 0.15 2.05 1.05 0.00 -1.46 0.00 0.00 42.92 44.71 1ud3 s ASP 266 CO -0.06 -0.30 2.05 1.62 0.52 0.00 0.00 175.17 179.01 1ud3 h VAL 267 N 6.00 1.08 -0.43 1.11 3.04 -1.83 -2.31 116.25 122.91 1ud3 h VAL 267 Ca -0.02 -0.35 0.02 0.00 -1.01 0.00 0.00 66.70 65.33 1ud3 h VAL 267 Cb 1.19 1.08 -0.03 0.00 -2.01 0.00 0.00 31.29 31.52 1ud3 h VAL 267 CO 0.16 0.11 0.26 1.23 -1.01 0.00 0.00 177.57 178.32 1ud3 h GLY 268 N 0.36 0.61 0.63 3.17 0.00 -1.96 0.11 103.07 105.98 1ud3 h GLY 268 Ca 0.02 -0.20 0.07 0.00 0.00 0.00 0.00 47.33 47.22 1ud3 h GLY 268 CO 0.01 0.18 0.36 0.00 0.00 0.00 0.00 176.54 177.09 1ud3 h ALA 269 N 1.18 0.91 -0.59 3.60 0.00 -1.83 0.79 119.26 123.32 1ud3 h ALA 269 Ca 0.17 0.03 -0.08 0.00 0.00 0.00 0.00 54.91 55.02 1ud3 h ALA 269 Cb -0.01 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1ud3 h ALA 269 CO -0.07 0.02 0.05 -0.07 0.00 0.00 0.00 179.25 179.18 1ud3 h LEU 270 N 0.66 0.95 -0.61 0.00 4.07 -1.15 -1.48 115.31 117.74 1ud3 h LEU 270 Ca 0.31 -0.24 -0.12 0.00 0.08 0.00 0.00 57.88 57.91 1ud3 h LEU 270 Cb 0.23 -0.25 -0.02 0.00 1.08 0.00 0.00 40.66 41.70 1ud3 h LEU 270 CO -0.20 0.98 -0.18 -0.33 -1.08 0.00 0.00 178.44 177.63 1ud3 h GLU 271 N 0.92 0.91 0.05 1.13 5.08 0.17 -0.64 114.58 122.20 1ud3 h GLU 271 Ca 0.18 -0.36 -0.00 0.00 -1.00 0.00 0.00 59.36 58.18 1ud3 h GLU 271 Cb 0.47 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.67 1ud3 h GLU 271 CO 0.02 1.01 -0.02 0.35 -1.00 0.00 0.00 179.01 179.37 1ud3 h PHE 272 N 0.80 -0.06 -0.26 4.33 -0.00 -0.64 0.16 116.94 121.27 1ud3 h PHE 272 Ca 0.11 -0.00 0.03 0.00 -0.00 0.00 0.00 57.97 58.12 1ud3 h PHE 272 Cb 0.72 0.02 -0.03 0.00 -0.00 0.00 0.00 35.95 36.66 1ud3 h PHE 272 CO 0.04 -0.02 0.06 -0.92 -0.00 0.00 0.00 178.31 177.48 1ud3 h TYR 273 N -0.09 0.11 -0.27 0.41 3.20 -1.07 -0.09 116.97 119.17 1ud3 h TYR 273 Ca -0.01 0.01 0.03 0.00 3.14 0.00 0.00 58.73 61.90 1ud3 h TYR 273 Cb 0.07 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.32 1ud3 h TYR 273 CO -0.07 0.04 0.19 -0.07 -1.64 0.00 0.00 178.16 176.61 1ud3 h LEU 274 N 0.17 0.23 0.14 2.82 3.38 -0.86 0.10 115.31 121.29 1ud3 h LEU 274 Ca 0.12 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 1ud3 h LEU 274 Cb 0.11 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1ud3 h LEU 274 CO -0.14 0.16 -0.07 0.44 0.09 0.00 0.00 178.44 178.92 1ud3 h ASP 275 N 0.26 -0.16 -0.13 -0.43 5.19 0.10 0.33 116.42 121.59 1ud3 h ASP 275 Ca 0.11 -0.12 -0.01 0.00 -0.62 0.00 0.00 57.03 56.40 1ud3 h ASP 275 Cb 0.13 0.04 -0.01 0.00 0.18 0.00 0.00 39.33 39.67 1ud3 h ASP 275 CO -0.02 0.02 0.06 -0.33 -3.12 0.00 0.00 179.24 175.85 1ud3 h GLU 276 N -0.33 0.24 -0.00 3.56 4.39 0.18 0.72 114.58 123.34 1ud3 h GLU 276 Ca -0.02 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.66 1ud3 h GLU 276 Cb 0.26 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 28.87 1ud3 h GLU 276 CO 0.03 0.21 -0.01 -1.33 -1.16 0.00 0.00 179.01 176.75 1ud3 n MET 277 N -4.46 0.02 -2.84 2.33 2.81 0.23 -4.88 117.12 110.33 1ud3 n MET 277 Ca -0.00 -0.00 -0.17 0.00 -1.81 0.00 0.00 57.70 55.72 1ud3 n MET 277 Cb 0.12 -1.50 0.03 0.00 -0.71 0.00 0.00 33.22 31.16 1ud3 n MET 277 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 1ud3 n ASN 278 N -1.49 -5.03 -3.74 7.83 5.15 0.25 -2.89 115.26 115.34 1ud3 n ASN 278 Ca 0.07 -0.22 -0.29 0.00 -0.60 0.00 0.00 54.58 53.55 1ud3 n ASN 278 Cb 0.34 -3.88 -0.00 0.00 -0.53 0.00 0.00 39.78 35.71 1ud3 n ASN 278 CO 0.00 0.00 0.00 0.79 1.40 0.00 0.00 177.26 179.45 1ud3 n TRP 279 N -4.21 -1.90 -0.49 1.20 7.02 0.10 -4.86 117.44 114.30 1ud3 n TRP 279 Ca -0.08 0.67 0.04 0.00 -1.02 0.00 0.00 57.50 57.10 1ud3 n TRP 279 Cb 0.59 -3.21 0.30 0.00 -2.42 0.00 0.00 31.31 26.58 1ud3 n TRP 279 CO 0.00 0.00 0.00 0.39 -2.02 0.00 0.00 177.69 176.06 1ud3 n GLU 280 N -4.15 3.90 -3.78 -0.99 1.02 -1.14 -4.92 120.64 110.59 1ud3 n GLU 280 Ca 0.03 -2.45 -0.04 0.00 -0.02 0.00 0.00 57.16 54.68 1ud3 n GLU 280 Cb 0.52 -2.09 -0.01 0.00 -0.02 0.00 0.00 31.44 29.84 1ud3 n GLU 280 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1ud3 s MET 281 N -2.39 1.28 0.41 3.49 0.23 -1.26 -4.80 119.30 116.26 1ud3 s MET 281 Ca 0.43 -0.73 0.08 0.00 -1.03 0.00 0.00 55.69 54.44 1ud3 s MET 281 Cb 0.33 0.42 -0.04 0.00 -1.53 0.00 0.00 34.83 34.01 1ud3 s MET 281 CO 0.12 -0.59 0.24 -1.12 -2.03 0.00 0.00 175.02 171.64 1ud3 s SER 282 N -2.99 4.64 0.11 -1.18 0.01 -0.12 -4.89 113.70 109.27 1ud3 s SER 282 Ca 0.13 -0.95 0.05 0.00 1.31 0.00 0.00 55.95 56.50 1ud3 s SER 282 Cb -0.02 -0.53 -0.04 0.00 0.21 0.00 0.00 66.02 65.64 1ud3 s SER 282 CO 0.03 -0.55 -0.13 -0.76 0.41 0.00 0.00 173.24 172.24 1ud3 s LEU 283 N -3.97 2.37 0.26 2.44 1.43 -0.67 -1.08 118.68 119.47 1ud3 s LEU 283 Ca 0.43 -0.77 -0.30 0.00 -1.03 0.00 0.00 54.13 52.47 1ud3 s LEU 283 Cb 0.01 -0.49 -0.10 0.00 0.03 0.00 0.00 46.19 45.64 1ud3 s LEU 283 CO 0.24 -0.15 1.36 -0.36 0.23 0.00 0.00 176.35 177.66 1ud3 s PHE 284 N -2.00 3.11 -1.25 0.29 0.08 -1.00 -0.52 117.98 116.68 1ud3 s PHE 284 Ca 0.06 1.21 -0.19 0.00 0.12 0.00 0.00 56.93 58.13 1ud3 s PHE 284 Cb -0.06 -3.71 0.03 0.00 -0.57 0.00 0.00 43.02 38.72 1ud3 s PHE 284 CO 0.02 -2.16 1.77 0.34 -0.10 0.00 0.00 175.22 175.09 1ud3 s ASP 285 N 0.07 6.41 0.24 1.36 -1.08 0.33 -4.78 116.67 119.23 1ud3 s ASP 285 Ca 0.55 -2.19 -0.04 0.00 -0.52 0.00 0.00 52.55 50.35 1ud3 s ASP 285 Cb -0.39 -2.58 0.27 0.00 -1.46 0.00 0.00 42.92 38.75 1ud3 s ASP 285 CO 0.45 -1.62 1.76 0.58 0.52 0.00 0.00 175.17 176.85 1ud3 h VAL 286 N 5.80 1.25 -0.40 1.11 2.07 -1.88 -2.68 116.25 121.53 1ud3 h VAL 286 Ca 0.38 -0.96 -0.08 0.00 0.82 0.00 0.00 66.70 66.86 1ud3 h VAL 286 Cb 0.90 0.71 -0.02 0.00 -1.52 0.00 0.00 31.29 31.36 1ud3 h VAL 286 CO 1.40 0.35 -0.07 -0.65 0.02 0.00 0.00 177.57 178.62 1ud3 h PRO 287 N 0.88 0.67 -0.68 1.57 0.11 -1.87 -1.98 132.00 130.70 1ud3 h PRO 287 Ca 0.18 -0.20 -0.05 0.00 0.11 0.00 0.00 66.00 66.04 1ud3 h PRO 287 Cb 0.39 -0.07 -0.03 0.00 0.11 0.00 0.00 31.00 31.40 1ud3 h PRO 287 CO 0.01 0.74 0.22 1.25 -0.21 0.00 0.00 178.00 180.01 1ud3 h LEU 288 N 0.62 0.98 -0.31 2.35 5.85 -1.80 0.43 115.31 123.44 1ud3 h LEU 288 Ca 0.12 -0.20 0.05 0.00 0.84 0.00 0.00 57.88 58.68 1ud3 h LEU 288 Cb 0.50 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 41.23 1ud3 h LEU 288 CO 0.03 0.92 0.05 -0.74 -0.34 0.00 0.00 178.44 178.36 1ud3 h HIS 289 N 0.99 0.09 0.00 1.25 2.76 -1.12 -0.45 115.15 118.66 1ud3 h HIS 289 Ca 0.22 0.02 -0.04 0.00 -2.20 0.00 0.00 60.37 58.37 1ud3 h HIS 289 Cb 0.29 0.01 -0.01 0.00 1.55 0.00 0.00 27.41 29.25 1ud3 h HIS 289 CO 0.02 0.01 -0.18 1.88 -1.30 0.00 0.00 177.93 178.36 1ud3 h TYR 290 N 0.16 0.00 -0.33 5.26 0.05 -0.85 -0.52 116.97 120.75 1ud3 h TYR 290 Ca 0.15 0.00 -0.08 0.00 0.05 0.00 0.00 58.73 58.85 1ud3 h TYR 290 Cb 0.16 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.89 1ud3 h TYR 290 CO -0.18 0.18 -0.10 -0.91 -1.05 0.00 0.00 178.16 176.11 1ud3 h ASN 291 N 0.00 0.65 -0.54 3.88 2.35 0.58 0.41 115.58 122.92 1ud3 h ASN 291 Ca -0.00 -0.37 0.01 0.00 -0.55 0.00 0.00 56.30 55.38 1ud3 h ASN 291 Cb 0.47 -0.18 -0.03 0.00 0.05 0.00 0.00 38.32 38.63 1ud3 h ASN 291 CO 0.02 0.88 0.35 -0.26 -1.65 0.00 0.00 177.43 176.77 1ud3 h PHE 292 N 0.42 0.66 -0.09 1.19 0.04 -0.37 -0.04 116.94 118.75 1ud3 h PHE 292 Ca 0.08 0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.86 1ud3 h PHE 292 Cb 0.60 -0.22 -0.00 0.00 2.20 0.00 0.00 35.95 38.53 1ud3 h PHE 292 CO 0.05 0.41 0.02 -0.92 -0.60 0.00 0.00 178.31 177.27 1ud3 h TYR 293 N 0.71 0.16 -0.82 -0.55 3.20 -0.92 0.20 116.97 118.95 1ud3 h TYR 293 Ca 0.21 -0.02 0.08 0.00 3.14 0.00 0.00 58.73 62.14 1ud3 h TYR 293 Cb -0.05 -0.04 -0.07 0.00 1.54 0.00 0.00 36.73 38.10 1ud3 h TYR 293 CO -0.04 0.33 0.47 0.00 -1.64 0.00 0.00 178.16 177.28 1ud3 h ARG 294 N -0.06 0.80 -0.43 1.82 3.08 0.10 0.99 114.38 120.68 1ud3 h ARG 294 Ca 0.03 -0.05 -0.12 0.00 0.07 0.00 0.00 59.98 59.91 1ud3 h ARG 294 Cb 0.25 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.11 1ud3 h ARG 294 CO 0.00 0.53 -0.21 0.00 -1.07 0.00 0.00 179.97 179.22 1ud3 h ALA 295 N 1.43 0.61 -0.81 0.04 0.00 -0.78 -1.32 119.26 118.43 1ud3 h ALA 295 Ca 0.38 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1ud3 h ALA 295 Cb 0.30 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 1ud3 h ALA 295 CO -0.22 0.58 0.47 1.03 0.00 0.00 0.00 179.25 181.11 1ud3 h SER 296 N 0.73 0.98 -0.02 0.00 0.87 0.34 -2.72 113.55 113.74 1ud3 h SER 296 Ca 0.10 -0.08 -0.23 0.00 -1.23 0.00 0.00 61.79 60.35 1ud3 h SER 296 Cb 0.78 -0.25 0.01 0.00 -0.44 0.00 0.00 62.40 62.50 1ud3 h SER 296 CO 0.06 0.78 -0.85 1.56 -0.53 0.00 0.00 176.83 177.85 1ud3 h GLN 297 N 1.11 0.69 -0.14 2.24 1.08 -0.76 -3.37 115.11 115.97 1ud3 h GLN 297 Ca 0.29 -0.62 -0.14 0.00 -1.45 0.00 0.00 58.65 56.72 1ud3 h GLN 297 Cb -0.01 0.15 0.00 0.00 -0.05 0.00 0.00 27.48 27.57 1ud3 h GLN 297 CO -0.05 1.23 -0.47 0.37 -0.95 0.00 0.00 178.83 178.95 1ud3 h GLN 298 N 0.45 0.56 0.00 1.46 4.15 -1.14 -3.50 115.11 117.08 1ud3 h GLN 298 Ca -0.07 -0.42 0.00 0.00 0.77 0.00 0.00 58.65 58.93 1ud3 h GLN 298 Cb 1.48 0.08 0.00 0.00 0.21 0.00 0.00 27.48 29.25 1ud3 h GLN 298 CO 0.17 1.04 0.00 0.41 -1.93 0.00 0.00 178.83 178.52 1ud3 n GLY 299 N 0.60 -1.38 0.31 2.39 0.00 -1.03 -4.58 105.19 101.50 1ud3 n GLY 299 Ca -0.07 -2.08 0.14 0.00 0.00 0.00 0.00 46.02 44.00 1ud3 n GLY 299 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1ud3 h GLY 300 N 0.00 0.00 1.96 -0.02 0.00 -1.88 -2.12 103.07 101.01 1ud3 h GLY 300 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1ud3 h GLY 300 CO 0.00 0.00 0.02 1.48 0.00 0.00 0.00 176.54 178.04 1ud3 h SER 301 N 0.00 0.00 -2.65 0.19 4.64 -1.87 -3.43 113.55 110.44 1ud3 h SER 301 Ca 0.08 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 60.88 1ud3 h SER 301 Cb 0.34 0.00 0.05 0.00 -0.31 0.00 0.00 62.40 62.48 1ud3 h SER 301 CO -0.00 0.00 1.02 -0.47 -0.87 0.00 0.00 176.83 176.51 1ud3 s TYR 302 N -4.27 2.65 -0.63 4.77 5.04 -0.80 -4.90 117.35 119.21 1ud3 s TYR 302 Ca -0.05 0.27 -0.28 0.00 -2.44 0.00 0.00 57.07 54.58 1ud3 s TYR 302 Cb 0.13 -4.10 0.02 0.00 0.35 0.00 0.00 41.96 38.37 1ud3 s TYR 302 CO 0.44 -4.30 1.30 0.34 -1.34 0.00 0.00 175.55 171.99 1ud3 s ASP 303 N 1.76 6.23 0.36 4.32 -1.08 -1.26 -4.80 116.67 122.19 1ud3 s ASP 303 Ca 0.76 -0.04 0.20 0.00 -0.52 0.00 0.00 52.55 52.95 1ud3 s ASP 303 Cb -0.47 -2.55 1.11 0.00 -1.46 0.00 0.00 42.92 39.55 1ud3 s ASP 303 CO 0.33 -1.69 1.59 0.24 0.52 0.00 0.00 175.17 176.16 1ud3 h MET 304 N 10.26 0.00 0.00 4.34 2.86 -1.42 -1.54 114.93 129.43 1ud3 h MET 304 Ca -0.26 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.38 1ud3 h MET 304 Cb 1.07 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.73 1ud3 h MET 304 CO 1.22 0.00 0.00 0.00 1.06 0.00 0.00 176.91 179.19 1ud3 h ARG 305 N 0.00 0.00 -0.43 1.72 3.08 -1.81 -2.69 114.38 114.26 1ud3 h ARG 305 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1ud3 h ARG 305 Cb 0.22 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.27 1ud3 h ARG 305 CO 0.00 0.00 0.00 0.09 -1.07 0.00 0.00 179.97 178.99 1ud3 n ASN 306 N -2.81 3.42 -0.36 7.04 5.03 -0.58 -4.63 115.26 122.37 1ud3 n ASN 306 Ca 0.01 -1.96 0.09 0.00 0.87 0.00 0.00 54.58 53.58 1ud3 n ASN 306 Cb 0.25 -0.28 0.26 0.00 -1.02 0.00 0.00 39.78 39.00 1ud3 n ASN 306 CO 0.00 0.00 0.00 -0.29 -1.83 0.00 0.00 177.26 175.14 1ud3 h ILE 307 N 4.06 0.84 -0.01 2.41 6.09 -1.62 -1.43 117.51 127.85 1ud3 h ILE 307 Ca 0.00 -0.31 0.00 0.00 -1.37 0.00 0.00 64.86 63.18 1ud3 h ILE 307 Cb 0.93 -0.14 0.00 0.00 0.47 0.00 0.00 36.82 38.08 1ud3 h ILE 307 CO 0.00 0.16 -0.43 0.18 -3.07 0.00 0.00 178.15 174.99 1ud3 n LEU 308 N -4.68 1.37 -4.71 2.19 4.77 -1.26 -4.77 117.00 109.90 1ud3 n LEU 308 Ca 0.20 -0.45 -0.42 0.00 -0.03 0.00 0.00 56.01 55.31 1ud3 n LEU 308 Cb 0.43 -0.07 -0.03 0.00 -2.33 0.00 0.00 43.42 41.42 1ud3 n LEU 308 CO 0.25 0.26 1.17 -0.60 -1.33 0.00 0.00 177.39 177.14 1ud3 s ARG 309 N -2.58 4.26 0.00 3.23 3.52 -0.54 -2.05 118.95 124.79 1ud3 s ARG 309 Ca 0.19 2.22 0.00 0.00 -0.13 0.00 0.00 55.73 58.01 1ud3 s ARG 309 Cb 0.18 -3.29 0.00 0.00 -1.56 0.00 0.00 34.95 30.29 1ud3 s ARG 309 CO 0.59 -0.56 0.00 0.41 -0.81 0.00 0.00 175.30 174.93 1ud3 n GLY 310 N 3.68 1.03 3.82 8.12 0.00 -1.26 -4.98 105.19 115.60 1ud3 n GLY 310 Ca 0.13 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.82 1ud3 n GLY 310 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ud3 s SER 311 N -3.05 6.26 0.18 1.61 1.04 -0.87 -4.34 113.70 114.53 1ud3 s SER 311 Ca 0.00 1.75 -0.05 0.00 0.48 0.00 0.00 55.95 58.13 1ud3 s SER 311 Cb 0.00 -2.53 0.07 0.00 0.10 0.00 0.00 66.02 63.66 1ud3 s SER 311 CO 0.00 -0.83 1.49 0.25 0.98 0.00 0.00 173.24 175.13 1ud3 h LEU 312 N 0.96 0.74 -1.35 2.42 5.85 -1.90 -3.06 115.31 118.96 1ud3 h LEU 312 Ca -0.48 -0.38 -0.03 0.00 0.84 0.00 0.00 57.88 57.84 1ud3 h LEU 312 Cb 1.21 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 42.01 1ud3 h LEU 312 CO 0.59 1.11 0.12 1.62 -0.34 0.00 0.00 178.44 181.54 1ud3 h VAL 313 N 0.53 1.17 -0.59 1.05 3.04 -1.92 0.42 116.25 119.94 1ud3 h VAL 313 Ca 0.02 -0.56 0.03 0.00 -1.01 0.00 0.00 66.70 65.18 1ud3 h VAL 313 Cb 1.06 0.75 -0.04 0.00 -2.01 0.00 0.00 31.29 31.05 1ud3 h VAL 313 CO 0.10 0.21 0.36 -0.08 -1.01 0.00 0.00 177.57 177.15 1ud3 h GLU 314 N 0.55 0.69 0.16 4.17 4.81 -1.78 -2.39 114.58 120.79 1ud3 h GLU 314 Ca 0.13 -0.04 -0.35 0.00 -0.13 0.00 0.00 59.36 58.97 1ud3 h GLU 314 Cb 0.18 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.40 1ud3 h GLU 314 CO -0.01 0.45 -1.78 0.00 -0.73 0.00 0.00 179.01 176.94 1ud3 h ALA 315 N 1.26 0.25 -1.76 2.92 0.00 -1.41 -3.43 119.26 117.10 1ud3 h ALA 315 Ca 0.24 -1.20 -0.50 0.00 0.00 0.00 0.00 54.91 53.45 1ud3 h ALA 315 Cb 0.03 0.50 -0.36 0.00 0.00 0.00 0.00 17.79 17.96 1ud3 h ALA 315 CO -0.11 1.12 -1.05 0.72 0.00 0.00 0.00 179.25 179.93 1ud3 n HIS 316 N -3.54 -0.59 0.24 0.00 8.25 0.14 -4.97 115.22 114.76 1ud3 n HIS 316 Ca -0.25 -3.41 0.16 0.00 -0.26 0.00 0.00 57.72 53.95 1ud3 n HIS 316 Cb 1.07 -0.13 0.72 0.00 1.12 0.00 0.00 29.99 32.77 1ud3 n HIS 316 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1ud3 h PRO 317 N 3.73 0.00 0.00 -0.41 0.13 -1.58 0.46 132.00 134.33 1ud3 h PRO 317 Ca 0.05 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.18 1ud3 h PRO 317 Cb 0.92 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.05 1ud3 h PRO 317 CO 0.45 0.00 -0.15 -0.12 -0.23 0.00 0.00 178.00 177.95 1ud3 n MET 318 N -3.11 0.22 -0.22 0.86 1.56 -1.26 -1.61 117.12 113.56 1ud3 n MET 318 Ca 0.02 0.15 0.08 0.00 -0.27 0.00 0.00 57.70 57.68 1ud3 n MET 318 Cb 0.54 -1.73 0.13 0.00 2.15 0.00 0.00 33.22 34.31 1ud3 n MET 318 CO 0.00 0.00 0.00 0.72 -0.73 0.00 0.00 175.97 175.96 1ud3 n HIS 319 N -2.10 0.00 -5.16 1.12 8.25 0.16 -4.91 115.22 112.58 1ud3 n HIS 319 Ca 0.05 -0.93 -0.32 0.00 -0.26 0.00 0.00 57.72 56.26 1ud3 n HIS 319 Cb 0.42 -0.15 -0.16 0.00 1.12 0.00 0.00 29.99 31.22 1ud3 n HIS 319 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1ud3 s ALA 320 N -2.51 2.27 -0.37 -1.41 0.00 -1.05 -1.67 121.76 117.02 1ud3 s ALA 320 Ca 0.29 -1.00 -0.07 0.00 0.00 0.00 0.00 51.96 51.18 1ud3 s ALA 320 Cb 0.26 -0.81 0.06 0.00 0.00 0.00 0.00 23.12 22.64 1ud3 s ALA 320 CO 0.01 0.37 0.17 0.08 0.00 0.00 0.00 175.76 176.39 1ud3 s VAL 321 N -0.02 3.82 0.23 0.00 1.01 0.32 -0.92 120.40 124.84 1ud3 s VAL 321 Ca -0.07 -1.38 -0.22 0.00 0.00 0.00 0.00 61.98 60.32 1ud3 s VAL 321 Cb -0.15 -3.29 -0.09 0.00 0.00 0.00 0.00 36.38 32.86 1ud3 s VAL 321 CO 0.05 -0.36 0.77 0.42 0.00 0.00 0.00 175.10 175.98 1ud3 s THR 322 N 1.36 4.47 0.16 3.92 -4.23 -0.88 -0.51 115.64 119.94 1ud3 s THR 322 Ca 0.01 1.45 -0.19 0.00 -1.18 0.00 0.00 61.69 61.79 1ud3 s THR 322 Cb -0.21 -3.93 0.04 0.00 1.34 0.00 0.00 72.50 69.74 1ud3 s THR 322 CO 0.01 0.24 0.51 0.72 -0.54 0.00 0.00 174.62 175.56 1ud3 s PHE 323 N -1.49 -0.26 -0.25 3.99 -0.71 -1.26 0.16 117.98 118.17 1ud3 s PHE 323 Ca 0.43 -0.04 -0.03 0.00 -1.04 0.00 0.00 56.93 56.25 1ud3 s PHE 323 Cb -0.18 0.40 -0.17 0.00 -1.21 0.00 0.00 43.02 41.86 1ud3 s PHE 323 CO 0.22 -0.84 -0.18 0.28 -1.34 0.00 0.00 175.22 173.37 1ud3 n VAL 324 N -0.32 1.53 -3.85 -2.49 0.31 -1.26 -4.47 118.33 107.79 1ud3 n VAL 324 Ca -0.14 -0.53 -0.09 0.00 -0.01 0.00 0.00 64.34 63.57 1ud3 n VAL 324 Cb 0.63 -1.56 -0.04 0.00 -0.91 0.00 0.00 33.84 31.97 1ud3 n VAL 324 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 1ud3 s ASP 325 N -6.77 -0.20 0.25 4.52 1.01 -1.26 -4.73 116.67 109.49 1ud3 s ASP 325 Ca -0.34 -0.65 -0.01 0.00 0.71 0.00 0.00 52.55 52.26 1ud3 s ASP 325 Cb 0.10 0.61 0.00 0.00 1.01 0.00 0.00 42.92 44.64 1ud3 s ASP 325 CO 0.60 -1.14 0.34 -0.46 0.21 0.00 0.00 175.17 174.71 1ud3 n ASN 326 N -0.38 -0.93 0.32 0.27 0.23 -1.26 -4.65 115.26 108.86 1ud3 n ASN 326 Ca -0.06 -2.36 0.20 0.00 -0.53 0.00 0.00 54.58 51.83 1ud3 n ASN 326 Cb 0.62 1.75 1.08 0.00 -2.08 0.00 0.00 39.78 41.15 1ud3 n ASN 326 CO 0.00 0.00 0.00 1.12 -0.93 0.00 0.00 177.26 177.45 1ud3 h HIS 327 N 1.72 0.00 0.00 -2.53 2.07 -1.97 -1.20 115.15 113.24 1ud3 h HIS 327 Ca -0.19 0.00 -0.06 0.00 -2.85 0.00 0.00 60.37 57.27 1ud3 h HIS 327 Cb 0.84 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.81 1ud3 h HIS 327 CO 0.00 0.00 -1.81 -0.25 -3.07 0.00 0.00 177.93 172.80 1ud3 n ASP 328 N -2.94 0.23 0.02 3.10 8.00 -1.26 -4.32 116.55 119.39 1ud3 n ASP 328 Ca -0.03 0.09 0.11 0.00 0.71 0.00 0.00 54.79 55.68 1ud3 n ASP 328 Cb 0.12 1.43 -0.03 0.00 -0.02 0.00 0.00 41.12 42.62 1ud3 n ASP 328 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1ud3 n THR 329 N -2.45 0.16 -1.15 -3.53 -2.24 -0.63 -0.60 114.28 103.84 1ud3 n THR 329 Ca -0.07 -0.29 -0.33 0.00 -2.27 0.00 0.00 64.05 61.08 1ud3 n THR 329 Cb 0.66 0.20 0.12 0.00 -2.10 0.00 0.00 70.33 69.21 1ud3 n THR 329 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ud3 s GLN 330 N -3.25 1.72 0.12 -0.78 -2.07 -0.55 -1.65 119.66 113.20 1ud3 s GLN 330 Ca 0.02 1.68 -0.35 0.00 -1.82 0.00 0.00 55.36 54.89 1ud3 s GLN 330 Cb 0.14 -1.79 -0.17 0.00 -1.09 0.00 0.00 33.01 30.10 1ud3 s GLN 330 CO 0.83 -2.13 1.12 -2.30 -1.32 0.00 0.00 175.29 171.48 1ud3 n PRO 331 N -3.30 0.79 0.00 9.60 -0.02 -1.26 -2.23 135.00 138.59 1ud3 n PRO 331 Ca 0.13 0.28 0.00 0.00 -2.02 0.00 0.00 63.50 61.89 1ud3 n PRO 331 Cb 0.51 -1.76 0.00 0.00 -0.02 0.00 0.00 33.50 32.22 1ud3 n PRO 331 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ud3 n GLY 332 N 2.01 2.77 3.94 -1.23 0.00 -1.26 -5.03 105.19 106.38 1ud3 n GLY 332 Ca 0.17 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.94 1ud3 n GLY 332 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ud3 s GLU 333 N -0.08 2.50 0.44 1.61 0.41 -0.94 -4.97 118.70 117.67 1ud3 s GLU 333 Ca 0.00 -0.32 0.23 0.00 -0.41 0.00 0.00 54.97 54.47 1ud3 s GLU 333 Cb 0.00 -2.29 1.22 0.00 -1.78 0.00 0.00 34.13 31.28 1ud3 s GLU 333 CO 0.00 -0.94 1.80 0.66 -0.49 0.00 0.00 175.26 176.29 1ud3 h SER 334 N -0.29 0.32 -0.36 -0.19 4.64 -1.89 -1.52 113.55 114.26 1ud3 h SER 334 Ca -0.44 0.05 -0.25 0.00 -0.47 0.00 0.00 61.79 60.68 1ud3 h SER 334 Cb 1.29 0.00 -0.18 0.00 -0.31 0.00 0.00 62.40 63.20 1ud3 h SER 334 CO 0.58 0.07 -0.52 0.18 -0.87 0.00 0.00 176.83 176.27 1ud3 n LEU 335 N -4.49 3.89 -4.65 5.97 4.77 0.23 -5.05 117.00 117.66 1ud3 n LEU 335 Ca 0.24 -4.22 -0.60 0.00 -0.03 0.00 0.00 56.01 51.39 1ud3 n LEU 335 Cb 0.93 -0.49 -0.08 0.00 -2.33 0.00 0.00 43.42 41.45 1ud3 n LEU 335 CO 0.30 1.66 1.01 1.21 -1.33 0.00 0.00 177.39 180.24 1ud3 n GLU 336 N -0.96 0.50 -2.68 3.23 2.13 -0.57 -4.04 120.64 118.24 1ud3 n GLU 336 Ca 0.32 0.18 -0.05 0.00 0.66 0.00 0.00 57.16 58.27 1ud3 n GLU 336 Cb 0.84 -1.75 0.11 0.00 0.27 0.00 0.00 31.44 30.90 1ud3 n GLU 336 CO 0.00 0.00 0.00 -1.13 -0.41 0.00 0.00 177.13 175.59 1ud3 n SER 337 N 3.47 -1.50 -4.74 4.31 3.41 -0.66 -4.98 113.62 112.93 1ud3 n SER 337 Ca 0.25 -2.27 -0.41 0.00 -0.26 0.00 0.00 58.87 56.18 1ud3 n SER 337 Cb 0.07 1.30 -0.03 0.00 -0.26 0.00 0.00 64.21 65.28 1ud3 n SER 337 CO 0.00 0.00 0.00 0.86 -0.16 0.00 0.00 175.04 175.74 1ud3 s TRP 338 N 0.11 3.32 -0.42 7.33 -0.11 -1.11 -4.80 118.94 123.26 1ud3 s TRP 338 Ca 0.21 1.33 -0.22 0.00 1.22 0.00 0.00 56.10 58.64 1ud3 s TRP 338 Cb 0.29 -3.53 0.02 0.00 -1.50 0.00 0.00 33.47 28.75 1ud3 s TRP 338 CO -0.16 -1.57 0.74 0.08 -4.62 0.00 0.00 176.95 171.41 1ud3 s VAL 339 N -0.08 4.73 0.96 5.86 1.01 -1.26 -4.90 120.40 126.71 1ud3 s VAL 339 Ca 0.54 0.47 -0.13 0.00 0.00 0.00 0.00 61.98 62.86 1ud3 s VAL 339 Cb -0.35 -4.25 0.03 0.00 0.00 0.00 0.00 36.38 31.81 1ud3 s VAL 339 CO 0.39 -0.59 0.34 0.00 0.00 0.00 0.00 175.10 175.23 1ud3 n ALA 340 N 6.49 -2.79 -0.26 5.51 0.00 -1.26 -4.56 120.51 123.65 1ud3 n ALA 340 Ca 0.01 -0.63 0.05 0.00 0.00 0.00 0.00 53.44 52.87 1ud3 n ALA 340 Cb 0.48 -1.76 0.28 0.00 0.00 0.00 0.00 19.45 18.45 1ud3 n ALA 340 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1ud3 h ASP 341 N -1.55 0.82 -0.66 0.00 3.45 -1.99 -0.68 116.42 115.81 1ud3 h ASP 341 Ca -0.44 0.00 -0.02 0.00 0.43 0.00 0.00 57.03 57.01 1ud3 h ASP 341 Cb 1.28 -0.17 -0.03 0.00 -0.56 0.00 0.00 39.33 39.85 1ud3 h ASP 341 CO 0.34 0.53 0.33 4.11 -1.57 0.00 0.00 179.24 182.98 1ud3 h TRP 342 N 0.93 0.93 0.00 4.55 5.08 -1.97 -3.18 115.95 122.30 1ud3 h TRP 342 Ca 0.36 -0.04 -0.17 0.00 1.08 0.00 0.00 58.89 60.11 1ud3 h TRP 342 Cb 0.20 -0.29 -0.03 0.00 -3.00 0.00 0.00 29.16 26.04 1ud3 h TRP 342 CO -0.00 0.69 -1.26 0.35 -1.28 0.00 0.00 178.44 176.94 1ud3 h PHE 343 N 0.90 0.00 -1.01 0.12 3.57 -1.86 -3.38 116.94 115.28 1ud3 h PHE 343 Ca 0.23 0.00 0.24 0.00 3.53 0.00 0.00 57.97 61.96 1ud3 h PHE 343 Cb 0.10 0.00 -0.12 0.00 2.79 0.00 0.00 35.95 38.72 1ud3 h PHE 343 CO 0.00 0.64 0.61 -0.22 -2.23 0.00 0.00 178.31 177.11 1ud3 h LYS 344 N 0.00 0.59 -0.75 1.11 3.64 -1.10 0.19 116.57 120.25 1ud3 h LYS 344 Ca -0.14 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.18 1ud3 h LYS 344 Cb 1.61 -0.13 -0.04 0.00 -0.41 0.00 0.00 32.23 33.27 1ud3 h LYS 344 CO 0.06 0.39 0.37 -1.35 -2.27 0.00 0.00 179.45 176.64 1ud3 h PRO 345 N 0.60 1.06 -0.35 1.90 0.11 -1.74 -1.29 132.00 132.29 1ud3 h PRO 345 Ca 0.63 -0.14 -0.04 0.00 0.11 0.00 0.00 66.00 66.55 1ud3 h PRO 345 Cb 1.18 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 32.08 1ud3 h PRO 345 CO -0.44 0.81 0.06 -0.07 -0.21 0.00 0.00 178.00 178.16 1ud3 h LEU 346 N 1.06 0.55 -0.58 2.35 4.07 -1.24 -2.11 115.31 119.40 1ud3 h LEU 346 Ca 0.26 -0.25 0.03 0.00 0.08 0.00 0.00 57.88 58.00 1ud3 h LEU 346 Cb 0.09 -0.15 -0.04 0.00 1.08 0.00 0.00 40.66 41.65 1ud3 h LEU 346 CO -0.03 0.66 0.34 0.00 -1.08 0.00 0.00 178.44 178.33 1ud3 h ALA 347 N 0.91 0.75 -0.47 1.53 0.00 -1.02 -1.64 119.26 119.31 1ud3 h ALA 347 Ca 0.11 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.92 1ud3 h ALA 347 Cb 0.34 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1ud3 h ALA 347 CO 0.01 0.06 -0.06 1.88 0.00 0.00 0.00 179.25 181.14 1ud3 h TYR 348 N 0.68 0.89 -0.78 0.00 0.05 -1.10 -2.65 116.97 114.05 1ud3 h TYR 348 Ca 0.23 -0.15 -0.05 0.00 0.05 0.00 0.00 58.73 58.82 1ud3 h TYR 348 Cb 0.04 -0.23 -0.03 0.00 1.01 0.00 0.00 36.73 37.51 1ud3 h TYR 348 CO -0.06 0.84 0.30 0.00 -1.05 0.00 0.00 178.16 178.19 1ud3 h ALA 349 N 1.18 1.02 -0.83 3.88 0.00 -1.00 -1.00 119.26 122.51 1ud3 h ALA 349 Ca 0.14 -0.20 0.07 0.00 0.00 0.00 0.00 54.91 54.91 1ud3 h ALA 349 Cb 0.54 -0.30 -0.06 0.00 0.00 0.00 0.00 17.79 17.96 1ud3 h ALA 349 CO 0.03 0.66 0.50 1.15 0.00 0.00 0.00 179.25 181.59 1ud3 h THR 350 N 1.14 1.01 0.00 0.00 2.02 -0.97 -1.13 112.91 114.98 1ud3 h THR 350 Ca 0.26 -0.31 -0.02 0.00 0.77 0.00 0.00 66.41 67.11 1ud3 h THR 350 Cb 0.24 0.03 -0.00 0.00 -1.74 0.00 0.00 68.15 66.67 1ud3 h THR 350 CO -0.02 0.16 -1.09 2.30 0.37 0.00 0.00 175.52 177.25 1ud3 n ILE 351 N -4.66 0.68 -0.01 3.11 -5.35 -1.06 -3.83 119.36 108.24 1ud3 n ILE 351 Ca 0.12 -0.57 -0.01 0.00 -0.27 0.00 0.00 62.75 62.02 1ud3 n ILE 351 Cb 0.20 -0.38 -0.11 0.00 -1.74 0.00 0.00 39.64 37.60 1ud3 n ILE 351 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 1ud3 n LEU 352 N -2.70 0.56 -0.01 7.28 4.77 -0.40 -4.45 117.00 122.05 1ud3 n LEU 352 Ca -0.01 0.25 0.09 0.00 -0.03 0.00 0.00 56.01 56.31 1ud3 n LEU 352 Cb 0.59 0.16 -0.14 0.00 -2.33 0.00 0.00 43.42 41.71 1ud3 n LEU 352 CO 0.41 0.22 -0.50 0.35 -1.33 0.00 0.00 177.39 176.53 1ud3 n THR 353 N -2.78 0.00 -2.21 -5.08 -2.24 -0.44 -4.37 114.28 97.15 1ud3 n THR 353 Ca -0.14 -0.31 -0.31 0.00 -2.27 0.00 0.00 64.05 61.02 1ud3 n THR 353 Cb 0.88 0.38 -0.01 0.00 -2.10 0.00 0.00 70.33 69.48 1ud3 n THR 353 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1ud3 s ARG 354 N -3.15 3.73 0.18 -0.78 0.52 -1.25 -4.85 118.95 113.35 1ud3 s ARG 354 Ca -0.02 0.74 0.04 0.00 -0.52 0.00 0.00 55.73 55.97 1ud3 s ARG 354 Cb 0.13 -2.16 0.03 0.00 0.52 0.00 0.00 34.95 33.47 1ud3 s ARG 354 CO 0.79 -0.38 1.40 1.05 0.02 0.00 0.00 175.30 178.19 1ud3 h GLU 355 N 0.29 0.15 -6.51 3.54 4.11 -1.92 -3.46 114.58 110.78 1ud3 h GLU 355 Ca -0.46 -0.16 -0.53 0.00 0.07 0.00 0.00 59.36 58.29 1ud3 h GLU 355 Cb 1.19 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 30.45 1ud3 h GLU 355 CO 0.62 0.90 0.06 0.20 0.07 0.00 0.00 179.01 180.87 1ud3 s GLY 356 N -4.52 2.58 0.00 1.06 0.00 -1.26 -4.97 107.32 100.21 1ud3 s GLY 356 Ca -0.02 0.10 0.00 0.00 0.00 0.00 0.00 44.72 44.79 1ud3 s GLY 356 CO 0.82 0.44 0.00 0.61 0.00 0.00 0.00 173.10 174.96 1ud3 n GLY 357 N 0.75 1.94 3.14 0.20 0.00 -0.63 -4.90 105.19 105.69 1ud3 n GLY 357 Ca -0.03 -1.79 -0.38 0.00 0.00 0.00 0.00 46.02 43.82 1ud3 n GLY 357 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1ud3 s TYR 358 N -2.52 3.49 0.31 1.61 5.04 -0.10 -4.92 117.35 120.25 1ud3 s TYR 358 Ca 0.00 -2.46 -0.29 0.00 -2.44 0.00 0.00 57.07 51.88 1ud3 s TYR 358 Cb 0.00 -3.30 -0.10 0.00 0.35 0.00 0.00 41.96 38.91 1ud3 s TYR 358 CO 0.00 -0.91 1.40 -1.25 -1.34 0.00 0.00 175.55 173.45 1ud3 s PRO 359 N 0.47 4.26 -0.10 4.97 0.04 -1.26 -2.06 135.00 141.32 1ud3 s PRO 359 Ca 0.13 2.34 0.04 0.00 0.04 0.00 0.00 61.00 63.55 1ud3 s PRO 359 Cb -0.21 -3.06 0.00 0.00 0.04 0.00 0.00 34.50 31.27 1ud3 s PRO 359 CO -0.04 -0.36 -0.22 1.21 0.04 0.00 0.00 177.00 177.64 1ud3 s ASN 360 N -0.09 2.87 -0.07 6.66 2.47 0.12 -0.93 114.94 125.98 1ud3 s ASN 360 Ca 0.54 -0.52 -0.17 0.00 0.42 0.00 0.00 52.86 53.13 1ud3 s ASN 360 Cb -0.42 -1.31 -0.05 0.00 -1.45 0.00 0.00 41.25 38.01 1ud3 s ASN 360 CO 0.52 0.13 0.46 -0.69 -3.72 0.00 0.00 177.10 173.79 1ud3 s VAL 361 N 0.45 5.11 -0.22 -5.21 1.01 0.64 -4.43 120.40 117.76 1ud3 s VAL 361 Ca -0.17 0.93 -0.18 0.00 0.00 0.00 0.00 61.98 62.55 1ud3 s VAL 361 Cb -0.17 -3.79 -0.03 0.00 0.00 0.00 0.00 36.38 32.39 1ud3 s VAL 361 CO 0.07 0.41 0.52 0.12 0.00 0.00 0.00 175.10 176.22 1ud3 s PHE 362 N 0.04 3.34 0.29 5.22 5.36 -1.26 -0.93 117.98 130.04 1ud3 s PHE 362 Ca 0.25 0.74 0.04 0.00 -0.96 0.00 0.00 56.93 57.00 1ud3 s PHE 362 Cb -0.16 -2.69 0.73 0.00 -0.34 0.00 0.00 43.02 40.57 1ud3 s PHE 362 CO 0.11 -0.15 1.70 -0.92 -1.46 0.00 0.00 175.22 174.51 1ud3 h TYR 363 N 7.60 0.70 -0.61 10.12 5.03 -1.49 0.15 116.97 138.48 1ud3 h TYR 363 Ca -0.32 0.04 0.06 0.00 2.58 0.00 0.00 58.73 61.08 1ud3 h TYR 363 Cb 1.15 -0.17 -0.04 0.00 1.55 0.00 0.00 36.73 39.23 1ud3 h TYR 363 CO 0.71 -0.02 0.40 0.78 -1.32 0.00 0.00 178.16 178.72 1ud3 h GLY 364 N 0.43 0.75 0.47 1.82 0.00 -1.81 -0.56 103.07 104.17 1ud3 h GLY 364 Ca 0.56 -0.24 -0.12 0.00 0.00 0.00 0.00 47.33 47.53 1ud3 h GLY 364 CO -0.51 0.19 -0.51 -0.55 0.00 0.00 0.00 176.54 175.15 1ud3 h ASP 365 N 0.61 0.31 0.34 0.19 3.32 -1.30 -0.44 116.42 119.45 1ud3 h ASP 365 Ca 0.26 -0.94 -0.00 0.00 0.02 0.00 0.00 57.03 56.36 1ud3 h ASP 365 Cb 0.25 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.68 1ud3 h ASP 365 CO -0.08 1.23 -0.30 0.22 -1.72 0.00 0.00 179.24 178.60 1ud3 h TYR 366 N -0.55 -0.79 -0.03 4.55 3.20 -0.88 0.47 116.97 122.94 1ud3 h TYR 366 Ca -0.09 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.79 1ud3 h TYR 366 Cb 1.38 0.30 0.00 0.00 1.54 0.00 0.00 36.73 39.95 1ud3 h TYR 366 CO 0.22 -0.43 0.00 0.66 -1.64 0.00 0.00 178.16 176.97 1ud3 n TYR 367 N -5.42 0.00 0.00 -3.82 4.01 -0.25 -1.33 117.16 110.36 1ud3 n TYR 367 Ca -0.10 -0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.64 1ud3 n TYR 367 Cb 0.32 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.35 1ud3 n TYR 367 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1ud3 n GLY 368 N 1.23 -1.22 2.76 2.72 0.00 -0.18 -4.24 105.19 106.26 1ud3 n GLY 368 Ca 0.13 -1.61 -0.29 0.00 0.00 0.00 0.00 46.02 44.25 1ud3 n GLY 368 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ud3 s ILE 369 N -2.17 1.77 0.29 -0.61 1.01 -0.20 -4.60 121.20 116.69 1ud3 s ILE 369 Ca 0.00 -2.96 0.05 0.00 0.00 0.00 0.00 60.65 57.74 1ud3 s ILE 369 Cb 0.00 -2.22 0.29 0.00 0.01 0.00 0.00 42.46 40.53 1ud3 s ILE 369 CO 0.00 -0.92 1.73 -0.65 0.00 0.00 0.00 174.94 175.11 1ud3 h PRO 370 N 6.41 0.55 -1.02 2.79 0.11 -1.89 -1.41 132.00 137.54 1ud3 h PRO 370 Ca 0.02 -0.03 0.28 0.00 0.11 0.00 0.00 66.00 66.37 1ud3 h PRO 370 Cb 0.89 -0.12 -0.06 0.00 0.11 0.00 0.00 31.00 31.82 1ud3 h PRO 370 CO 0.55 0.36 0.70 -0.97 -0.21 0.00 0.00 178.00 178.43 1ud3 h ASN 371 N 0.56 0.19 -0.05 -2.05 -1.24 -1.94 -1.53 115.58 109.52 1ud3 h ASN 371 Ca 0.56 0.03 -0.02 0.00 0.71 0.00 0.00 56.30 57.59 1ud3 h ASN 371 Cb 0.98 -0.00 -0.01 0.00 0.73 0.00 0.00 38.32 40.02 1ud3 h ASN 371 CO -0.45 0.05 -0.19 0.47 -1.29 0.00 0.00 177.43 176.02 1ud3 n ASP 372 N -4.39 2.26 -3.92 1.15 8.00 -0.57 -4.99 116.55 114.10 1ud3 n ASP 372 Ca 0.23 -3.44 -0.28 0.00 0.71 0.00 0.00 54.79 52.00 1ud3 n ASP 372 Cb 0.98 -0.49 0.01 0.00 -0.02 0.00 0.00 41.12 41.59 1ud3 n ASP 372 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1ud3 n ASN 373 N -1.22 -2.93 -4.41 -2.24 5.03 -0.58 -4.94 115.26 103.97 1ud3 n ASN 373 Ca 0.19 -0.87 -0.38 0.00 0.87 0.00 0.00 54.58 54.40 1ud3 n ASN 373 Cb 0.72 -3.59 -0.12 0.00 -1.02 0.00 0.00 39.78 35.76 1ud3 n ASN 373 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1ud3 s ILE 374 N -3.50 4.35 0.67 2.41 1.01 -0.98 -5.01 121.20 120.14 1ud3 s ILE 374 Ca 0.41 -0.44 -0.16 0.00 0.00 0.00 0.00 60.65 60.46 1ud3 s ILE 374 Cb -0.21 -3.18 0.01 0.00 0.01 0.00 0.00 42.46 39.09 1ud3 s ILE 374 CO 0.85 0.13 1.18 -0.94 0.00 0.00 0.00 174.94 176.16 1ud3 s SER 375 N 1.58 4.75 0.19 3.58 1.04 -1.26 -1.04 113.70 122.54 1ud3 s SER 375 Ca 0.04 2.26 -0.30 0.00 0.48 0.00 0.00 55.95 58.43 1ud3 s SER 375 Cb -0.17 -2.58 -0.08 0.00 0.10 0.00 0.00 66.02 63.29 1ud3 s SER 375 CO 0.04 -1.88 1.23 0.00 0.98 0.00 0.00 173.24 173.61 1ud3 s ALA 376 N -1.98 3.46 -0.21 5.32 0.00 -1.26 -4.24 121.76 122.85 1ud3 s ALA 376 Ca 0.73 1.00 0.15 0.00 0.00 0.00 0.00 51.96 53.84 1ud3 s ALA 376 Cb -0.27 -3.43 0.69 0.00 0.00 0.00 0.00 23.12 20.11 1ud3 s ALA 376 CO 0.40 -0.42 1.61 1.63 0.00 0.00 0.00 175.76 178.98 1ud3 n LYS 377 N 2.54 3.98 -0.30 0.00 4.76 0.16 -4.70 118.16 124.61 1ud3 n LYS 377 Ca 0.05 -3.03 0.14 0.00 -2.87 0.00 0.00 58.31 52.60 1ud3 n LYS 377 Cb 0.44 -2.08 0.31 0.00 -1.84 0.00 0.00 35.03 31.86 1ud3 n LYS 377 CO 0.00 0.00 0.00 -0.22 -1.37 0.00 0.00 177.40 175.81 1ud3 h LYS 378 N 2.97 0.26 0.26 1.97 3.64 -1.35 -1.26 116.57 123.06 1ud3 h LYS 378 Ca 0.01 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.36 1ud3 h LYS 378 Cb 1.75 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 33.52 1ud3 h LYS 378 CO 0.38 0.17 -0.13 -0.44 -2.27 0.00 0.00 179.45 177.17 1ud3 h ASP 379 N 0.27 -0.30 -0.04 4.20 3.45 -1.87 0.72 116.42 122.85 1ud3 h ASP 379 Ca 0.57 0.00 0.01 0.00 0.43 0.00 0.00 57.03 58.04 1ud3 h ASP 379 Cb 1.13 0.08 -0.01 0.00 -0.56 0.00 0.00 39.33 39.97 1ud3 h ASP 379 CO -0.61 -0.20 -0.01 -0.03 -1.57 0.00 0.00 179.24 176.81 1ud3 h MET 380 N -0.36 -0.01 -0.70 3.56 4.05 -1.76 -3.06 114.93 116.65 1ud3 h MET 380 Ca -0.04 0.00 -0.06 0.00 -0.28 0.00 0.00 59.70 59.32 1ud3 h MET 380 Cb 0.28 0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 31.05 1ud3 h MET 380 CO 0.06 -0.00 0.18 0.82 0.23 0.00 0.00 176.91 178.20 1ud3 h ILE 381 N -0.01 1.26 0.00 1.77 2.04 -1.17 -2.76 117.51 118.65 1ud3 h ILE 381 Ca 0.02 -0.94 -0.00 0.00 1.00 0.00 0.00 64.86 64.94 1ud3 h ILE 381 Cb 0.04 0.52 -0.00 0.00 -0.74 0.00 0.00 36.82 36.64 1ud3 h ILE 381 CO -0.05 0.36 -0.01 0.44 0.00 0.00 0.00 178.15 178.89 1ud3 h ASP 382 N 1.05 0.00 0.85 1.72 3.32 -0.76 0.22 116.42 122.82 1ud3 h ASP 382 Ca 0.22 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 57.09 1ud3 h ASP 382 Cb 0.34 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.87 1ud3 h ASP 382 CO -0.00 0.01 -0.87 -0.33 -1.72 0.00 0.00 179.24 176.33 1ud3 h GLU 383 N 0.00 0.01 0.00 3.56 5.08 -1.40 -0.88 114.58 120.96 1ud3 h GLU 383 Ca -0.00 -0.02 -0.19 0.00 -1.00 0.00 0.00 59.36 58.16 1ud3 h GLU 383 Cb 0.02 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.25 1ud3 h GLU 383 CO 0.00 0.88 -0.88 -0.07 -1.00 0.00 0.00 179.01 177.94 1ud3 h LEU 384 N 0.01 0.00 -0.40 1.33 3.38 -1.07 -2.46 115.31 116.09 1ud3 h LEU 384 Ca -0.01 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.78 1ud3 h LEU 384 Cb 1.54 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.28 1ud3 h LEU 384 CO 0.12 0.88 -0.78 -0.07 0.09 0.00 0.00 178.44 178.68 1ud3 h LEU 385 N 0.00 0.29 -0.61 1.67 3.38 -0.53 -1.50 115.31 118.01 1ud3 h LEU 385 Ca -0.01 -0.21 -0.10 0.00 0.09 0.00 0.00 57.88 57.65 1ud3 h LEU 385 Cb 1.64 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 42.28 1ud3 h LEU 385 CO 0.11 0.96 -0.01 -0.78 0.09 0.00 0.00 178.44 178.81 1ud3 h ASP 386 N 0.15 1.06 0.07 -0.43 3.58 -1.12 0.14 116.42 119.87 1ud3 h ASP 386 Ca -0.03 -0.31 -0.00 0.00 0.42 0.00 0.00 57.03 57.11 1ud3 h ASP 386 Cb 1.37 -0.29 0.00 0.00 1.72 0.00 0.00 39.33 42.13 1ud3 h ASP 386 CO 0.12 1.12 -0.03 0.00 -2.88 0.00 0.00 179.24 177.56 1ud3 h ALA 387 N 0.99 -0.09 -0.23 -0.78 0.00 -1.28 -0.65 119.26 117.23 1ud3 h ALA 387 Ca 0.17 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1ud3 h ALA 387 Cb 0.58 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 1ud3 h ALA 387 CO 0.03 -0.47 0.07 -0.09 0.00 0.00 0.00 179.25 178.80 1ud3 h ARG 388 N -0.25 0.36 -0.71 0.00 2.43 -1.19 0.81 114.38 115.83 1ud3 h ARG 388 Ca -0.01 -0.08 -0.05 0.00 -0.81 0.00 0.00 59.98 59.04 1ud3 h ARG 388 Cb 0.22 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.68 1ud3 h ARG 388 CO 0.02 0.44 0.26 0.37 -1.51 0.00 0.00 179.97 179.55 1ud3 h GLN 389 N 0.20 1.06 0.00 0.20 4.15 -0.70 -3.29 115.11 116.73 1ud3 h GLN 389 Ca 0.07 -0.19 0.00 0.00 0.77 0.00 0.00 58.65 59.30 1ud3 h GLN 389 Cb 0.23 -0.17 0.00 0.00 0.21 0.00 0.00 27.48 27.75 1ud3 h GLN 389 CO -0.00 0.88 -0.98 0.09 -1.93 0.00 0.00 178.83 176.89 1ud3 n ASN 390 N -4.28 2.98 0.00 -0.69 3.02 -0.25 -4.69 115.26 111.35 1ud3 n ASN 390 Ca 0.06 -0.15 0.00 0.00 -0.03 0.00 0.00 54.58 54.46 1ud3 n ASN 390 Cb 0.20 1.17 0.00 0.00 -0.61 0.00 0.00 39.78 40.53 1ud3 n ASN 390 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1ud3 n TYR 391 N -1.53 0.00 -1.58 3.10 4.01 0.25 -4.31 117.16 117.09 1ud3 n TYR 391 Ca -0.00 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.32 1ud3 n TYR 391 Cb 0.11 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.13 1ud3 n TYR 391 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1ud3 n ALA 392 N -1.54 5.45 -2.34 -0.72 0.00 0.71 -0.47 120.51 121.60 1ud3 n ALA 392 Ca 0.00 -3.72 -0.17 0.00 0.00 0.00 0.00 53.44 49.55 1ud3 n ALA 392 Cb 0.17 -3.52 -0.10 0.00 0.00 0.00 0.00 19.45 15.99 1ud3 n ALA 392 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1ud3 s TYR 393 N 3.34 1.60 0.05 0.00 2.02 -1.26 -4.95 117.35 118.14 1ud3 s TYR 393 Ca 0.51 -1.07 0.00 0.00 -0.37 0.00 0.00 57.07 56.14 1ud3 s TYR 393 Cb 0.14 -0.96 0.00 0.00 -0.40 0.00 0.00 41.96 40.74 1ud3 s TYR 393 CO -0.06 -0.20 0.00 0.41 -1.57 0.00 0.00 175.55 174.13 1ud3 n GLY 394 N -0.48 -1.46 3.62 0.71 0.00 -1.25 -1.09 105.19 105.24 1ud3 n GLY 394 Ca -0.02 -1.48 -0.44 0.00 0.00 0.00 0.00 46.02 44.08 1ud3 n GLY 394 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1ud3 n THR 395 N -1.67 1.88 -4.61 2.61 -1.04 -1.26 -4.49 114.28 105.71 1ud3 n THR 395 Ca 0.00 -0.47 -0.32 0.00 -2.04 0.00 0.00 64.05 61.21 1ud3 n THR 395 Cb 0.10 -1.14 -0.11 0.00 -1.82 0.00 0.00 70.33 67.35 1ud3 n THR 395 CO 0.00 0.00 0.00 -1.58 -0.64 0.00 0.00 175.07 172.85 1ud3 s GLN 396 N -1.50 2.53 -0.11 -2.82 0.74 -1.26 -0.39 119.66 116.84 1ud3 s GLN 396 Ca 0.59 -0.71 0.01 0.00 0.05 0.00 0.00 55.36 55.30 1ud3 s GLN 396 Cb -0.68 -2.46 0.02 0.00 1.10 0.00 0.00 33.01 30.99 1ud3 s GLN 396 CO 0.60 0.61 -0.12 -1.01 -0.55 0.00 0.00 175.29 174.82 1ud3 s HIS 397 N -0.89 1.75 0.05 1.67 3.76 -0.40 -4.97 115.29 116.26 1ud3 s HIS 397 Ca 0.15 -0.84 -0.04 0.00 -0.15 0.00 0.00 55.06 54.17 1ud3 s HIS 397 Cb -0.11 -1.32 -0.05 0.00 1.11 0.00 0.00 32.58 32.21 1ud3 s HIS 397 CO 0.04 -0.48 0.28 -0.51 -0.85 0.00 0.00 174.74 173.22 1ud3 s ASP 398 N 1.22 6.45 -0.38 1.40 1.11 -1.26 -1.03 116.67 124.19 1ud3 s ASP 398 Ca -0.03 0.49 0.10 0.00 0.18 0.00 0.00 52.55 53.29 1ud3 s ASP 398 Cb -0.14 -2.05 0.31 0.00 1.07 0.00 0.00 42.92 42.11 1ud3 s ASP 398 CO -0.04 0.18 0.67 -1.22 1.18 0.00 0.00 175.17 175.95 1ud3 n TYR 399 N 0.66 -0.19 -2.47 4.23 4.02 0.03 -4.96 117.16 118.47 1ud3 n TYR 399 Ca -0.08 -3.63 -0.42 0.00 -0.01 0.00 0.00 57.90 53.77 1ud3 n TYR 399 Cb 0.52 -0.29 0.01 0.00 -0.02 0.00 0.00 39.34 39.56 1ud3 n TYR 399 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 176.86 177.04 1ud3 n PHE 400 N 0.72 2.64 0.26 -0.72 3.01 -1.26 -2.39 117.46 119.71 1ud3 n PHE 400 Ca 0.23 -2.70 0.06 0.00 1.01 0.00 0.00 57.45 56.04 1ud3 n PHE 400 Cb 0.61 -1.64 0.09 0.00 -0.01 0.00 0.00 39.48 38.54 1ud3 n PHE 400 CO 0.00 0.00 0.00 -0.40 1.01 0.00 0.00 176.76 177.37 1ud3 n ASP 401 N 2.19 2.34 -4.00 4.37 5.68 -1.26 -4.75 116.55 121.11 1ud3 n ASP 401 Ca 0.42 -1.67 -0.11 0.00 -0.50 0.00 0.00 54.79 52.93 1ud3 n ASP 401 Cb 0.31 -0.09 -0.12 0.00 -1.14 0.00 0.00 41.12 40.09 1ud3 n ASP 401 CO 0.00 0.00 0.00 -2.28 -1.33 0.00 0.00 177.20 173.59 1ud3 s HIS 402 N -0.99 0.40 0.31 2.11 5.04 -1.23 -5.04 115.29 115.89 1ud3 s HIS 402 Ca 0.18 -0.45 0.35 0.00 -1.54 0.00 0.00 55.06 53.59 1ud3 s HIS 402 Cb 0.11 -0.26 1.63 0.00 0.04 0.00 0.00 32.58 34.10 1ud3 s HIS 402 CO 0.16 -0.13 2.09 0.11 -2.34 0.00 0.00 174.74 174.63 1ud3 h TRP 403 N 4.79 0.00 0.00 3.88 0.09 -1.94 -3.34 115.95 119.43 1ud3 h TRP 403 Ca -0.33 0.00 -0.07 0.00 0.09 0.00 0.00 58.89 58.59 1ud3 h TRP 403 Cb 1.21 0.00 -0.01 0.00 0.08 0.00 0.00 29.16 30.44 1ud3 h TRP 403 CO 0.62 0.04 -0.83 -0.25 0.09 0.00 0.00 178.44 178.12 1ud3 n ASP 404 N -3.22 1.17 -4.68 0.11 8.00 -1.26 -1.33 116.55 115.35 1ud3 n ASP 404 Ca -0.01 0.18 -0.38 0.00 0.71 0.00 0.00 54.79 55.29 1ud3 n ASP 404 Cb 0.24 -0.42 -0.07 0.00 -0.02 0.00 0.00 41.12 40.85 1ud3 n ASP 404 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1ud3 s VAL 405 N -2.29 5.18 0.11 2.53 1.01 -1.26 -2.82 120.40 122.87 1ud3 s VAL 405 Ca -0.12 0.80 -0.04 0.00 0.00 0.00 0.00 61.98 62.61 1ud3 s VAL 405 Cb 0.03 -3.77 -0.03 0.00 0.00 0.00 0.00 36.38 32.62 1ud3 s VAL 405 CO 0.17 0.25 0.11 0.68 0.00 0.00 0.00 175.10 176.31 1ud3 s VAL 406 N 1.26 0.13 0.04 2.92 -7.23 -0.72 -3.53 120.40 113.26 1ud3 s VAL 406 Ca 0.21 -1.64 -0.09 0.00 -1.81 0.00 0.00 61.98 58.65 1ud3 s VAL 406 Cb -0.15 -1.75 0.03 0.00 0.56 0.00 0.00 36.38 35.07 1ud3 s VAL 406 CO 0.09 -0.59 0.41 0.61 -0.31 0.00 0.00 175.10 175.30 1ud3 n GLY 407 N -0.06 0.84 3.55 2.32 0.00 -1.00 -1.48 105.19 109.36 1ud3 n GLY 407 Ca -0.10 -0.97 -0.07 0.00 0.00 0.00 0.00 46.02 44.88 1ud3 n GLY 407 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1ud3 s TRP 408 N -3.90 -0.29 0.20 1.61 -2.14 0.14 -0.79 118.94 113.76 1ud3 s TRP 408 Ca 0.09 0.13 0.03 0.00 2.66 0.00 0.00 56.10 59.02 1ud3 s TRP 408 Cb -0.01 0.55 -0.05 0.00 -3.10 0.00 0.00 33.47 30.87 1ud3 s TRP 408 CO 0.01 -0.56 -0.02 0.95 -2.66 0.00 0.00 176.95 174.67 1ud3 s THR 409 N -3.09 0.92 -0.11 0.66 -4.23 -0.19 -0.32 115.64 109.29 1ud3 s THR 409 Ca 0.07 -2.02 -0.01 0.00 -1.18 0.00 0.00 61.69 58.54 1ud3 s THR 409 Cb -0.01 -2.19 0.03 0.00 1.34 0.00 0.00 72.50 71.68 1ud3 s THR 409 CO -0.07 -0.44 -0.01 -0.13 -0.54 0.00 0.00 174.62 173.42 1ud3 s ARG 410 N -3.86 0.88 0.59 3.99 1.81 0.28 -1.28 118.95 121.36 1ud3 s ARG 410 Ca 0.25 -0.10 0.39 0.00 -1.72 0.00 0.00 55.73 54.55 1ud3 s ARG 410 Cb 0.05 -1.37 1.98 0.00 -0.45 0.00 0.00 34.95 35.16 1ud3 s ARG 410 CO 0.06 -0.36 2.18 0.93 -0.68 0.00 0.00 175.30 177.43 1ud3 h GLU 411 N 8.27 0.00 0.00 3.54 5.08 -0.84 0.23 114.58 130.86 1ud3 h GLU 411 Ca -0.22 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.14 1ud3 h GLU 411 Cb 1.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.37 1ud3 h GLU 411 CO 0.32 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.74 1ud3 n GLY 412 N -0.75 -0.11 3.01 -3.84 0.00 -0.25 -4.50 105.19 98.76 1ud3 n GLY 412 Ca -0.02 -1.84 -0.13 0.00 0.00 0.00 0.00 46.02 44.04 1ud3 n GLY 412 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ud3 s SER 413 N -1.42 -0.15 0.55 1.61 1.04 -1.26 -3.74 113.70 110.33 1ud3 s SER 413 Ca 0.00 0.30 0.26 0.00 0.48 0.00 0.00 55.95 56.99 1ud3 s SER 413 Cb 0.00 0.29 1.45 0.00 0.10 0.00 0.00 66.02 67.86 1ud3 s SER 413 CO 0.00 -0.07 2.00 0.77 0.98 0.00 0.00 173.24 176.93 1ud3 h SER 414 N 6.11 0.00 0.23 7.02 4.64 -1.97 0.34 113.55 129.91 1ud3 h SER 414 Ca -0.28 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.04 1ud3 h SER 414 Cb 1.19 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.28 1ud3 h SER 414 CO 0.42 0.00 -0.01 0.77 -0.87 0.00 0.00 176.83 177.13 1ud3 h SER 415 N 0.00 0.00 -2.81 4.97 4.64 -2.04 -3.36 113.55 114.95 1ud3 h SER 415 Ca 0.21 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.99 1ud3 h SER 415 Cb 0.92 0.00 -0.40 0.00 -0.31 0.00 0.00 62.40 62.61 1ud3 h SER 415 CO -0.00 0.01 -0.78 -0.60 -0.87 0.00 0.00 176.83 174.59 1ud3 s ARG 416 N -4.12 0.25 0.49 4.77 3.52 0.12 -5.14 118.95 118.84 1ud3 s ARG 416 Ca -0.04 -0.62 -0.19 0.00 -0.13 0.00 0.00 55.73 54.76 1ud3 s ARG 416 Cb 0.13 -1.23 -0.14 0.00 -1.56 0.00 0.00 34.95 32.14 1ud3 s ARG 416 CO 0.47 -1.03 0.04 -2.30 -0.81 0.00 0.00 175.30 171.68 1ud3 n PRO 417 N 5.15 0.10 -0.51 5.12 -0.02 -1.26 -2.32 135.00 141.27 1ud3 n PRO 417 Ca -0.05 0.04 0.00 0.00 -2.02 0.00 0.00 63.50 61.47 1ud3 n PRO 417 Cb 0.42 -1.13 0.00 0.00 -0.02 0.00 0.00 33.50 32.77 1ud3 n PRO 417 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1ud3 n ASN 418 N 2.12 -2.97 -4.72 2.55 4.13 -1.26 -4.92 115.26 110.19 1ud3 n ASN 418 Ca 0.09 0.00 -0.30 0.00 1.68 0.00 0.00 54.58 56.05 1ud3 n ASN 418 Cb 0.45 -2.02 0.13 0.00 -1.54 0.00 0.00 39.78 36.80 1ud3 n ASN 418 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 1ud3 s SER 419 N -1.04 3.59 0.00 6.41 1.04 -0.98 -4.48 113.70 118.25 1ud3 s SER 419 Ca 0.00 1.59 0.00 0.00 0.48 0.00 0.00 55.95 58.02 1ud3 s SER 419 Cb 0.00 -2.26 0.00 0.00 0.10 0.00 0.00 66.02 63.86 1ud3 s SER 419 CO 0.00 -2.58 0.00 0.61 0.98 0.00 0.00 173.24 172.25 1ud3 n GLY 420 N -1.03 3.85 3.67 7.32 0.00 0.38 -4.25 105.19 115.12 1ud3 n GLY 420 Ca 0.07 -1.49 -0.06 0.00 0.00 0.00 0.00 46.02 44.55 1ud3 n GLY 420 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1ud3 s LEU 421 N 0.00 -0.27 -0.14 0.99 0.05 0.07 -4.42 118.68 114.96 1ud3 s LEU 421 Ca 0.00 -0.29 -0.04 0.00 0.05 0.00 0.00 54.13 53.85 1ud3 s LEU 421 Cb 0.00 2.23 0.05 0.00 -2.05 0.00 0.00 46.19 46.43 1ud3 s LEU 421 CO 0.00 -0.89 0.09 0.00 -0.55 0.00 0.00 176.35 175.01 1ud3 s ALA 422 N -3.36 0.30 -0.20 1.48 0.00 -0.37 -0.56 121.76 119.05 1ud3 s ALA 422 Ca 0.09 -0.11 -0.10 0.00 0.00 0.00 0.00 51.96 51.84 1ud3 s ALA 422 Cb -0.02 -0.94 -0.05 0.00 0.00 0.00 0.00 23.12 22.11 1ud3 s ALA 422 CO -0.02 -0.99 0.12 0.99 0.00 0.00 0.00 175.76 175.87 1ud3 s THR 423 N 2.17 5.32 0.01 0.00 2.01 0.57 -1.02 115.64 124.69 1ud3 s THR 423 Ca 0.03 0.16 0.00 0.00 0.31 0.00 0.00 61.69 62.19 1ud3 s THR 423 Cb -0.15 -3.43 -0.01 0.00 0.01 0.00 0.00 72.50 68.93 1ud3 s THR 423 CO -0.08 0.44 -0.01 -0.51 -0.69 0.00 0.00 174.62 173.77 1ud3 s ILE 424 N 0.40 0.05 0.26 1.82 2.07 -0.67 -0.69 121.20 124.45 1ud3 s ILE 424 Ca 0.07 -0.31 -0.17 0.00 -1.41 0.00 0.00 60.65 58.83 1ud3 s ILE 424 Cb -0.11 -0.11 0.01 0.00 0.13 0.00 0.00 42.46 42.38 1ud3 s ILE 424 CO -0.01 -0.16 0.61 0.00 -1.91 0.00 0.00 174.94 173.46 1ud3 s MET 425 N -0.49 1.67 -0.14 3.50 0.23 -0.55 -0.83 119.30 122.70 1ud3 s MET 425 Ca -0.05 -1.11 -0.14 0.00 -1.03 0.00 0.00 55.69 53.36 1ud3 s MET 425 Cb -0.03 0.54 0.04 0.00 -1.53 0.00 0.00 34.83 33.85 1ud3 s MET 425 CO -0.00 -0.74 0.40 0.45 -2.03 0.00 0.00 175.02 173.10 1ud3 s SER 426 N -2.96 -0.41 -0.10 -1.18 0.15 -0.72 -1.76 113.70 106.71 1ud3 s SER 426 Ca 0.16 0.77 0.17 0.00 0.70 0.00 0.00 55.95 57.75 1ud3 s SER 426 Cb -0.03 0.79 0.63 0.00 -1.71 0.00 0.00 66.02 65.70 1ud3 s SER 426 CO 0.08 -0.15 1.55 -0.46 1.20 0.00 0.00 173.24 175.45 1ud3 n ASN 427 N 2.78 4.36 0.00 5.45 6.94 -1.13 -1.94 115.26 131.72 1ud3 n ASN 427 Ca -0.14 -2.43 0.00 0.00 -0.02 0.00 0.00 54.58 51.99 1ud3 n ASN 427 Cb 0.57 -0.52 0.00 0.00 -2.36 0.00 0.00 39.78 37.47 1ud3 n ASN 427 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1ud3 n GLY 428 N 0.85 4.52 3.49 4.83 0.00 -1.26 -3.53 105.19 114.10 1ud3 n GLY 428 Ca 0.23 -0.74 -0.37 0.00 0.00 0.00 0.00 46.02 45.14 1ud3 n GLY 428 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1ud3 n PRO 429 N 0.00 0.47 -1.34 1.61 -0.02 -1.26 -1.00 135.00 133.46 1ud3 n PRO 429 Ca 0.00 0.19 -0.30 0.00 -2.02 0.00 0.00 63.50 61.37 1ud3 n PRO 429 Cb 0.00 -1.83 0.23 0.00 -0.02 0.00 0.00 33.50 31.88 1ud3 n PRO 429 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1ud3 s GLY 430 N -1.32 1.65 0.00 -1.23 0.00 -1.26 -4.58 107.32 100.57 1ud3 s GLY 430 Ca 0.69 -1.09 0.00 0.00 0.00 0.00 0.00 44.72 44.32 1ud3 s GLY 430 CO 0.55 -0.21 0.00 0.61 0.00 0.00 0.00 173.10 174.05 1ud3 n GLY 431 N -1.82 0.71 3.37 0.20 0.00 -0.39 -4.85 105.19 102.42 1ud3 n GLY 431 Ca 0.15 -0.70 -0.12 0.00 0.00 0.00 0.00 46.02 45.35 1ud3 n GLY 431 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ud3 s SER 432 N 0.64 0.29 -0.29 1.61 1.04 -1.26 -1.38 113.70 114.35 1ud3 s SER 432 Ca 0.00 -1.28 -0.20 0.00 0.48 0.00 0.00 55.95 54.95 1ud3 s SER 432 Cb 0.00 0.50 0.14 0.00 0.10 0.00 0.00 66.02 66.76 1ud3 s SER 432 CO 0.00 -1.02 1.02 -0.75 0.98 0.00 0.00 173.24 173.47 1ud3 s LYS 433 N -3.91 0.42 0.09 4.02 2.20 -0.18 -4.96 119.74 117.41 1ud3 s LYS 433 Ca 0.33 0.61 -0.29 0.00 -0.36 0.00 0.00 55.97 56.25 1ud3 s LYS 433 Cb 0.03 0.14 -0.05 0.00 -1.51 0.00 0.00 37.83 36.44 1ud3 s LYS 433 CO 0.13 -0.07 0.94 -1.58 -0.36 0.00 0.00 175.35 174.42 1ud3 s TRP 434 N 0.84 3.78 -0.01 4.03 0.52 -1.26 -1.18 118.94 125.66 1ud3 s TRP 434 Ca -0.03 1.75 -0.03 0.00 0.02 0.00 0.00 56.10 57.80 1ud3 s TRP 434 Cb -0.04 -3.04 -0.00 0.00 -1.15 0.00 0.00 33.47 29.24 1ud3 s TRP 434 CO -0.12 0.18 0.07 -1.64 0.02 0.00 0.00 176.95 175.47 1ud3 s MET 435 N 0.15 0.26 -0.06 4.98 -1.94 -0.47 -4.97 119.30 117.25 1ud3 s MET 435 Ca 0.47 -0.21 -0.26 0.00 -1.71 0.00 0.00 55.69 53.98 1ud3 s MET 435 Cb -0.23 0.11 -0.03 0.00 2.01 0.00 0.00 34.83 36.69 1ud3 s MET 435 CO 0.29 -0.05 0.81 -0.47 -0.01 0.00 0.00 175.02 175.59 1ud3 s TYR 436 N -0.73 3.58 0.00 -0.03 5.04 -1.26 -2.05 117.35 121.90 1ud3 s TYR 436 Ca -0.08 1.39 0.00 0.00 -2.44 0.00 0.00 57.07 55.94 1ud3 s TYR 436 Cb -0.05 -2.94 0.00 0.00 0.35 0.00 0.00 41.96 39.33 1ud3 s TYR 436 CO 0.00 0.01 0.74 1.33 -1.34 0.00 0.00 175.55 176.30 1ud3 n VAL 437 N 3.95 0.52 0.00 3.14 0.24 -0.06 -4.74 118.33 121.37 1ud3 n VAL 437 Ca 0.02 -0.72 0.00 0.00 -2.04 0.00 0.00 64.34 61.60 1ud3 n VAL 437 Cb 0.51 0.77 0.00 0.00 -1.47 0.00 0.00 33.84 33.65 1ud3 n VAL 437 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1ud3 n GLY 438 N -0.26 1.39 0.29 7.63 0.00 -1.16 -4.19 105.19 108.89 1ud3 n GLY 438 Ca 0.00 -1.01 0.09 0.00 0.00 0.00 0.00 46.02 45.10 1ud3 n GLY 438 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1ud3 h ARG 439 N 0.00 0.00 0.00 1.61 2.43 -1.78 0.69 114.38 117.34 1ud3 h ARG 439 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1ud3 h ARG 439 Cb 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 1ud3 h ARG 439 CO 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 179.97 178.46 1ud3 n GLN 440 N -2.55 0.01 -0.17 0.20 0.00 -1.26 -2.57 117.38 111.04 1ud3 n GLN 440 Ca -0.01 0.10 0.10 0.00 0.00 0.00 0.00 57.00 57.19 1ud3 n GLN 440 Cb 0.52 -1.51 0.19 0.00 0.00 0.00 0.00 30.24 29.43 1ud3 n GLN 440 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 1ud3 n ASN 441 N -1.52 3.22 -4.55 2.61 3.02 0.24 -5.02 115.26 113.26 1ud3 n ASN 441 Ca 0.06 -1.93 -0.41 0.00 -0.03 0.00 0.00 54.58 52.27 1ud3 n ASN 441 Cb 0.28 -0.22 0.02 0.00 -0.61 0.00 0.00 39.78 39.24 1ud3 n ASN 441 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ud3 n ALA 442 N 1.25 -0.41 -0.90 5.41 0.00 -1.06 -1.98 120.51 122.82 1ud3 n ALA 442 Ca 0.17 0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.77 1ud3 n ALA 442 Cb 0.54 -1.98 0.00 0.00 0.00 0.00 0.00 19.45 18.02 1ud3 n ALA 442 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ud3 n GLY 443 N 1.42 0.58 3.88 0.00 0.00 0.47 -4.94 105.19 106.59 1ud3 n GLY 443 Ca 0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.82 1ud3 n GLY 443 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ud3 s GLN 444 N -0.41 3.77 -0.26 1.61 -0.21 -0.84 -4.76 119.66 118.57 1ud3 s GLN 444 Ca 0.00 0.36 -0.00 0.00 0.02 0.00 0.00 55.36 55.74 1ud3 s GLN 444 Cb 0.00 -2.49 0.04 0.00 1.00 0.00 0.00 33.01 31.56 1ud3 s GLN 444 CO 0.00 0.09 -0.07 0.99 -2.12 0.00 0.00 175.29 174.18 1ud3 s THR 445 N -2.19 2.65 -0.10 -0.19 2.01 -1.26 0.11 115.64 116.67 1ud3 s THR 445 Ca 0.49 -1.29 -0.08 0.00 0.31 0.00 0.00 61.69 61.13 1ud3 s THR 445 Cb -0.10 -2.44 -0.04 0.00 0.01 0.00 0.00 72.50 69.93 1ud3 s THR 445 CO 0.28 0.08 0.17 0.26 -0.69 0.00 0.00 174.62 174.72 1ud3 s TRP 446 N 1.24 3.61 0.13 4.92 0.52 0.73 -4.55 118.94 125.54 1ud3 s TRP 446 Ca -0.03 0.58 0.09 0.00 0.02 0.00 0.00 56.10 56.75 1ud3 s TRP 446 Cb -0.18 -1.98 -0.04 0.00 -1.15 0.00 0.00 33.47 30.12 1ud3 s TRP 446 CO -0.04 0.72 -0.21 0.95 0.02 0.00 0.00 176.95 178.40 1ud3 s THR 447 N -1.05 1.83 -0.30 2.01 -4.23 -0.62 -0.18 115.64 113.11 1ud3 s THR 447 Ca 0.17 -1.73 -0.29 0.00 -1.18 0.00 0.00 61.69 58.66 1ud3 s THR 447 Cb -0.13 -1.73 -0.01 0.00 1.34 0.00 0.00 72.50 71.97 1ud3 s THR 447 CO 0.06 -0.15 1.61 -0.62 -0.54 0.00 0.00 174.62 174.97 1ud3 s ASP 448 N -2.25 6.25 0.44 3.99 -1.08 -1.26 -1.89 116.67 120.87 1ud3 s ASP 448 Ca 0.11 1.34 0.10 0.00 -0.52 0.00 0.00 52.55 53.58 1ud3 s ASP 448 Cb -0.08 -2.53 0.96 0.00 -1.46 0.00 0.00 42.92 39.81 1ud3 s ASP 448 CO 0.06 -1.41 2.06 -0.07 0.52 0.00 0.00 175.17 176.32 1ud3 h LEU 449 N 12.31 0.28 -0.27 -1.34 3.38 -1.50 -2.43 115.31 125.74 1ud3 h LEU 449 Ca -0.32 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.63 1ud3 h LEU 449 Cb 1.14 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.82 1ud3 h LEU 449 CO 1.03 0.25 0.00 0.71 0.09 0.00 0.00 178.44 180.52 1ud3 h THR 450 N 0.32 0.00 0.00 0.22 1.35 -1.90 -3.47 112.91 109.43 1ud3 h THR 450 Ca 0.08 -0.79 0.00 0.00 -0.55 0.00 0.00 66.41 65.15 1ud3 h THR 450 Cb 0.05 1.78 0.00 0.00 -1.73 0.00 0.00 68.15 68.24 1ud3 h THR 450 CO -0.01 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.87 1ud3 n GLY 451 N 0.91 0.55 0.11 5.82 0.00 -0.92 -4.89 105.19 106.77 1ud3 n GLY 451 Ca 0.04 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.18 1ud3 n GLY 451 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ud3 n ASN 452 N -0.12 0.71 -3.76 1.61 3.02 -1.26 -4.72 115.26 110.74 1ud3 n ASN 452 Ca 0.00 0.60 -0.13 0.00 -0.03 0.00 0.00 54.58 55.02 1ud3 n ASN 452 Cb 0.06 -0.78 -0.14 0.00 -0.61 0.00 0.00 39.78 38.31 1ud3 n ASN 452 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1ud3 s ASN 453 N -4.32 -0.13 0.00 6.41 3.84 -1.26 -4.77 114.94 114.71 1ud3 s ASN 453 Ca 0.09 0.32 0.29 0.00 0.21 0.00 0.00 52.86 53.77 1ud3 s ASN 453 Cb 0.12 0.23 1.23 0.00 -0.55 0.00 0.00 41.25 42.28 1ud3 s ASN 453 CO 0.52 -0.13 1.86 0.61 -2.79 0.00 0.00 177.10 177.16 1ud3 n GLY 454 N 4.01 -0.83 3.68 1.21 0.00 -1.26 -4.38 105.19 107.61 1ud3 n GLY 454 Ca -0.24 -0.29 -0.43 0.00 0.00 0.00 0.00 46.02 45.06 1ud3 n GLY 454 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ud3 n ALA 455 N -0.83 1.07 -3.38 4.61 0.00 -1.26 -4.96 120.51 115.76 1ud3 n ALA 455 Ca 0.15 0.38 -0.36 0.00 0.00 0.00 0.00 53.44 53.61 1ud3 n ALA 455 Cb 0.28 -2.23 -0.13 0.00 0.00 0.00 0.00 19.45 17.36 1ud3 n ALA 455 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1ud3 s SER 456 N -0.17 4.80 -0.27 0.00 0.15 -1.26 -4.43 113.70 112.52 1ud3 s SER 456 Ca 0.59 -0.73 -0.11 0.00 0.70 0.00 0.00 55.95 56.41 1ud3 s SER 456 Cb -0.61 -1.80 -0.05 0.00 -1.71 0.00 0.00 66.02 61.86 1ud3 s SER 456 CO 0.58 -0.15 0.18 -0.69 1.20 0.00 0.00 173.24 174.36 1ud3 s VAL 457 N 1.44 5.27 -0.18 4.45 1.01 0.75 -4.91 120.40 128.24 1ud3 s VAL 457 Ca 0.02 0.16 -0.08 0.00 0.00 0.00 0.00 61.98 62.08 1ud3 s VAL 457 Cb -0.17 -3.50 -0.04 0.00 0.00 0.00 0.00 36.38 32.67 1ud3 s VAL 457 CO -0.00 0.27 0.09 -0.89 0.00 0.00 0.00 175.10 174.57 1ud3 s THR 458 N 1.63 5.09 -0.11 3.92 2.01 -1.26 0.26 115.64 127.18 1ud3 s THR 458 Ca 0.07 0.07 -0.28 0.00 0.31 0.00 0.00 61.69 61.86 1ud3 s THR 458 Cb -0.16 -3.29 -0.01 0.00 0.01 0.00 0.00 72.50 69.05 1ud3 s THR 458 CO 0.10 0.48 0.95 -0.63 -0.69 0.00 0.00 174.62 174.82 1ud3 s ILE 459 N 0.13 4.83 0.00 1.82 -1.09 0.30 -4.70 121.20 122.49 1ud3 s ILE 459 Ca 0.07 1.91 0.00 0.00 -2.23 0.00 0.00 60.65 60.40 1ud3 s ILE 459 Cb -0.12 -4.26 0.00 0.00 -1.58 0.00 0.00 42.46 36.51 1ud3 s ILE 459 CO -0.00 0.03 0.00 -0.46 -1.23 0.00 0.00 174.94 173.28 1ud3 n ASN 460 N 4.92 -0.76 0.11 3.58 0.23 0.68 0.18 115.26 124.19 1ud3 n ASN 460 Ca 0.07 -0.25 -0.02 0.00 -0.53 0.00 0.00 54.58 53.85 1ud3 n ASN 460 Cb 0.49 0.00 0.06 0.00 -2.08 0.00 0.00 39.78 38.25 1ud3 n ASN 460 CO 0.00 0.00 0.00 1.23 -0.93 0.00 0.00 177.26 177.56 1ud3 h GLY 461 N -0.38 0.00 -1.13 4.83 0.00 -1.95 -3.09 103.07 101.35 1ud3 h GLY 461 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1ud3 h GLY 461 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 176.54 177.76 1ud3 n ASP 462 N -3.53 1.55 -0.79 0.19 8.00 -1.26 -4.87 116.55 115.84 1ud3 n ASP 462 Ca -0.00 -2.11 -0.10 0.00 0.71 0.00 0.00 54.79 53.28 1ud3 n ASP 462 Cb 0.75 -0.32 -0.04 0.00 -0.02 0.00 0.00 41.12 41.48 1ud3 n ASP 462 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ud3 n GLY 463 N 0.50 1.17 3.84 0.44 0.00 -1.17 -4.44 105.19 105.53 1ud3 n GLY 463 Ca 0.07 -0.54 -0.21 0.00 0.00 0.00 0.00 46.02 45.33 1ud3 n GLY 463 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1ud3 s TRP 464 N -2.37 3.02 -0.09 1.61 0.52 -1.26 -0.89 118.94 119.48 1ud3 s TRP 464 Ca 0.00 -0.20 -0.23 0.00 0.02 0.00 0.00 56.10 55.69 1ud3 s TRP 464 Cb 0.00 -1.59 0.05 0.00 -1.15 0.00 0.00 33.47 30.79 1ud3 s TRP 464 CO 0.00 0.36 0.55 0.20 0.02 0.00 0.00 176.95 178.08 1ud3 s GLY 465 N -3.92 -0.42 -0.22 0.98 0.00 -0.87 -0.23 107.32 102.64 1ud3 s GLY 465 Ca 0.37 1.15 -0.12 0.00 0.00 0.00 0.00 44.72 46.11 1ud3 s GLY 465 CO 0.26 0.87 0.25 1.85 0.00 0.00 0.00 173.10 176.32 1ud3 s GLU 466 N -0.78 4.12 -0.05 2.90 2.12 -1.26 -1.36 118.70 124.38 1ud3 s GLU 466 Ca -0.08 -0.09 0.02 0.00 0.36 0.00 0.00 54.97 55.17 1ud3 s GLU 466 Cb -0.03 -3.53 -0.03 0.00 0.26 0.00 0.00 34.13 30.80 1ud3 s GLU 466 CO 0.06 0.04 -0.07 -0.06 -0.54 0.00 0.00 175.26 174.69 1ud3 s PHE 467 N 1.10 2.91 0.04 5.30 0.08 -0.32 -4.84 117.98 122.24 1ud3 s PHE 467 Ca 0.12 -0.00 0.08 0.00 0.12 0.00 0.00 56.93 57.24 1ud3 s PHE 467 Cb -0.14 -1.68 -0.03 0.00 -0.57 0.00 0.00 43.02 40.60 1ud3 s PHE 467 CO 0.05 0.33 -0.20 -0.06 -0.10 0.00 0.00 175.22 175.24 1ud3 s PHE 468 N -0.84 2.49 0.00 0.36 0.40 -1.26 -1.01 117.98 118.12 1ud3 s PHE 468 Ca 0.13 -0.30 -0.01 0.00 -0.60 0.00 0.00 56.93 56.15 1ud3 s PHE 468 Cb -0.11 -1.44 -0.01 0.00 0.51 0.00 0.00 43.02 41.97 1ud3 s PHE 468 CO 0.03 0.21 0.01 -0.08 0.70 0.00 0.00 175.22 176.09 1ud3 s THR 469 N -0.89 0.06 0.85 0.64 -1.32 -0.48 -4.83 115.64 109.68 1ud3 s THR 469 Ca 0.14 -0.48 -0.11 0.00 -1.21 0.00 0.00 61.69 60.03 1ud3 s THR 469 Cb -0.10 -0.19 0.15 0.00 -1.51 0.00 0.00 72.50 70.85 1ud3 s THR 469 CO 0.04 -0.26 1.19 0.20 -2.21 0.00 0.00 174.62 173.58 1ud3 s ASN 470 N -0.79 3.81 0.62 8.08 0.01 -1.26 -1.26 114.94 124.15 1ud3 s ASN 470 Ca -0.09 0.23 -0.17 0.00 -0.71 0.00 0.00 52.86 52.12 1ud3 s ASN 470 Cb -0.05 -0.49 -0.02 0.00 0.41 0.00 0.00 41.25 41.09 1ud3 s ASN 470 CO -0.00 -2.27 1.16 -0.83 -1.51 0.00 0.00 177.10 173.64 1ud3 s GLY 471 N -4.76 2.48 -1.68 0.66 0.00 -1.26 -3.37 107.32 99.39 1ud3 s GLY 471 Ca 0.69 0.81 -0.10 0.00 0.00 0.00 0.00 44.72 46.12 1ud3 s GLY 471 CO 0.49 1.18 0.24 0.61 0.00 0.00 0.00 173.10 175.63 1ud3 n GLY 472 N 0.11 -0.23 2.55 0.20 0.00 -0.17 -4.84 105.19 102.80 1ud3 n GLY 472 Ca 0.12 0.13 -0.13 0.00 0.00 0.00 0.00 46.02 46.14 1ud3 n GLY 472 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1ud3 n SER 473 N -2.70 -0.82 -3.73 1.61 2.88 -0.82 -4.95 113.62 105.10 1ud3 n SER 473 Ca -0.15 -2.58 -0.13 0.00 -1.33 0.00 0.00 58.87 54.69 1ud3 n SER 473 Cb 0.59 1.65 -0.10 0.00 -0.75 0.00 0.00 64.21 65.61 1ud3 n SER 473 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1ud3 s VAL 474 N -2.88 0.00 0.05 2.46 0.11 -1.26 -1.76 120.40 117.12 1ud3 s VAL 474 Ca 0.26 -0.03 0.04 0.00 -2.93 0.00 0.00 61.98 59.33 1ud3 s VAL 474 Cb 0.00 -0.59 -0.02 0.00 -1.53 0.00 0.00 36.38 34.24 1ud3 s VAL 474 CO 0.19 -0.02 -0.12 -0.44 -3.33 0.00 0.00 175.10 171.38 1ud3 s SER 475 N 0.11 1.46 -0.33 3.54 0.01 -0.01 -4.73 113.70 113.75 1ud3 s SER 475 Ca -0.01 -0.52 0.00 0.00 1.31 0.00 0.00 55.95 56.74 1ud3 s SER 475 Cb -0.03 -0.06 0.10 0.00 0.21 0.00 0.00 66.02 66.25 1ud3 s SER 475 CO 0.01 -0.05 0.11 -0.69 0.41 0.00 0.00 173.24 173.03 1ud3 s VAL 476 N -1.07 1.20 0.21 3.43 1.01 -1.26 -1.67 120.40 122.25 1ud3 s VAL 476 Ca -0.02 -1.72 -0.26 0.00 0.00 0.00 0.00 61.98 59.98 1ud3 s VAL 476 Cb -0.09 -1.89 -0.09 0.00 0.00 0.00 0.00 36.38 34.32 1ud3 s VAL 476 CO 0.01 -0.69 0.84 -0.31 0.00 0.00 0.00 175.10 174.95 1ud3 s TYR 477 N 1.32 3.88 0.15 5.22 1.51 -0.19 -1.13 117.35 128.11 1ud3 s TYR 477 Ca 0.11 1.71 -0.09 0.00 -1.01 0.00 0.00 57.07 57.78 1ud3 s TYR 477 Cb -0.19 -2.83 -0.01 0.00 -0.11 0.00 0.00 41.96 38.83 1ud3 s TYR 477 CO -0.19 0.45 0.28 0.14 -1.11 0.00 0.00 175.55 175.12 1ud3 s VAL 478 N -1.25 0.07 -1.26 0.71 -7.23 -0.79 -1.24 120.40 109.40 1ud3 s VAL 478 Ca 0.40 -1.32 -0.14 0.00 -1.81 0.00 0.00 61.98 59.10 1ud3 s VAL 478 Cb -0.23 -1.75 0.13 0.00 0.56 0.00 0.00 36.38 35.09 1ud3 s VAL 478 CO 0.27 -0.34 1.64 -3.20 -0.31 0.00 0.00 175.10 173.16 1ud3 n ASN 479 N -0.20 5.03 -0.62 4.85 4.05 -1.26 -1.59 115.26 125.52 1ud3 n ASN 479 Ca -0.09 -2.97 0.08 0.00 0.45 0.00 0.00 54.58 52.05 1ud3 n ASN 479 Cb 0.63 -1.61 0.06 0.00 1.23 0.00 0.00 39.78 40.09 1ud3 n ASN 479 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21