#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sa1 s GLU 3 N 0.00 2.18 -0.29 5.56 8.01 -1.24 -4.70 118.70 128.20 1sa1 s GLU 3 Ca 0.00 -2.20 0.01 0.00 0.01 0.00 0.00 54.97 52.79 1sa1 s GLU 3 Cb 0.00 -1.73 0.19 0.00 -4.31 0.00 0.00 34.13 28.28 1sa1 s GLU 3 CO 0.00 -0.33 0.58 0.00 0.01 0.00 0.00 175.26 175.52 1sa1 s ILE 5 N 2.83 5.12 -0.11 0.00 1.01 -1.18 -4.68 121.20 124.19 1sa1 s ILE 5 Ca 0.18 0.68 -0.29 0.00 0.00 0.00 0.00 60.65 61.21 1sa1 s ILE 5 Cb -0.14 -3.78 -0.01 0.00 0.01 0.00 0.00 42.46 38.55 1sa1 s ILE 5 CO -0.22 0.09 0.99 -0.44 0.00 0.00 0.00 174.94 175.36 1sa1 s SER 6 N 1.61 7.21 -0.20 3.58 0.01 0.85 -2.82 113.70 123.94 1sa1 s SER 6 Ca 0.18 1.49 -0.02 0.00 1.31 0.00 0.00 55.95 58.91 1sa1 s SER 6 Cb -0.16 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.53 1sa1 s SER 6 CO 0.10 -0.44 -0.11 -0.63 0.41 0.00 0.00 173.24 172.57 1sa1 s ILE 7 N 2.04 2.85 -0.51 1.44 1.01 -0.30 0.26 121.20 127.99 1sa1 s ILE 7 Ca 0.47 -0.68 0.00 0.00 0.00 0.00 0.00 60.65 60.45 1sa1 s ILE 7 Cb -0.18 -2.26 0.13 0.00 0.01 0.00 0.00 42.46 40.16 1sa1 s ILE 7 CO 0.17 0.47 0.28 -1.00 0.00 0.00 0.00 174.94 174.87 1sa1 s HIS 8 N 1.33 3.44 0.29 3.97 3.76 0.16 0.11 115.29 128.34 1sa1 s HIS 8 Ca 0.04 -2.83 -0.20 0.00 -0.15 0.00 0.00 55.06 51.93 1sa1 s HIS 8 Cb -0.14 -3.06 -0.09 0.00 1.11 0.00 0.00 32.58 30.40 1sa1 s HIS 8 CO -0.06 -0.86 0.79 0.54 -0.85 0.00 0.00 174.74 174.30 1sa1 s VAL 9 N 0.27 4.51 0.00 -0.90 0.11 -1.15 -1.98 120.40 121.26 1sa1 s VAL 9 Ca 0.14 1.32 0.00 0.00 -2.93 0.00 0.00 61.98 60.51 1sa1 s VAL 9 Cb -0.22 -3.79 0.00 0.00 -1.53 0.00 0.00 36.38 30.84 1sa1 s VAL 9 CO -0.03 0.03 0.00 0.61 -3.33 0.00 0.00 175.10 172.38 1sa1 n GLY 10 N 0.25 -1.90 0.18 6.54 0.00 -0.39 -4.04 105.19 105.83 1sa1 n GLY 10 Ca 0.01 -0.99 0.05 0.00 0.00 0.00 0.00 46.02 45.09 1sa1 n GLY 10 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1sa1 n GLN 11 N 0.82 -0.04 0.20 1.61 7.27 -1.26 0.52 117.38 126.50 1sa1 n GLN 11 Ca 0.00 0.79 -0.08 0.00 0.07 0.00 0.00 57.00 57.79 1sa1 n GLN 11 Cb 0.00 -1.22 -0.04 0.00 2.41 0.00 0.00 30.24 31.39 1sa1 n GLN 11 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1sa1 h ALA 12 N 1.04 -1.06 -0.65 1.69 0.00 -1.96 -1.85 119.26 116.47 1sa1 h ALA 12 Ca 0.28 -0.11 0.10 0.00 0.00 0.00 0.00 54.91 55.17 1sa1 h ALA 12 Cb 0.50 0.20 -0.10 0.00 0.00 0.00 0.00 17.79 18.39 1sa1 h ALA 12 CO -0.51 -1.02 -0.27 0.41 0.00 0.00 0.00 179.25 177.85 1sa1 n GLY 13 N -1.03 -1.38 0.45 0.00 0.00 0.19 -0.51 105.19 102.91 1sa1 n GLY 13 Ca -0.06 0.73 -0.16 0.00 0.00 0.00 0.00 46.02 46.53 1sa1 n GLY 13 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1sa1 h VAL 14 N 0.00 0.00 -0.52 1.61 2.07 -1.11 1.07 116.25 119.37 1sa1 h VAL 14 Ca 0.21 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.75 1sa1 h VAL 14 Cb 0.37 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.11 1sa1 h VAL 14 CO -0.64 0.00 0.31 1.56 0.02 0.00 0.00 177.57 178.82 1sa1 h GLN 15 N -0.80 0.60 -0.39 1.57 4.20 -0.21 0.51 115.11 120.60 1sa1 h GLN 15 Ca -0.03 -0.04 0.07 0.00 0.06 0.00 0.00 58.65 58.72 1sa1 h GLN 15 Cb 0.74 -0.14 -0.07 0.00 0.30 0.00 0.00 27.48 28.32 1sa1 h GLN 15 CO -0.16 0.40 -0.03 0.97 -0.67 0.00 0.00 178.83 179.34 1sa1 h ILE 16 N 0.62 0.67 0.14 2.54 6.09 -0.45 -0.41 117.51 126.72 1sa1 h ILE 16 Ca 0.21 -0.02 -0.00 0.00 -1.37 0.00 0.00 64.86 63.67 1sa1 h ILE 16 Cb 0.01 0.60 -0.01 0.00 0.47 0.00 0.00 36.82 37.89 1sa1 h ILE 16 CO -0.09 0.01 -0.18 1.23 -3.07 0.00 0.00 178.15 176.05 1sa1 h GLY 17 N 0.07 -0.98 -1.94 8.18 0.00 0.25 0.74 103.07 109.38 1sa1 h GLY 17 Ca 0.19 0.45 0.56 0.00 0.00 0.00 0.00 47.33 48.53 1sa1 h GLY 17 CO -0.35 -0.33 1.41 -2.01 0.00 0.00 0.00 176.54 175.26 1sa1 n ASN 18 N -3.44 0.00 -0.43 0.19 5.15 0.17 0.81 115.26 117.70 1sa1 n ASN 18 Ca -0.04 0.97 0.07 0.00 -0.60 0.00 0.00 54.58 54.98 1sa1 n ASN 18 Cb 0.16 -0.49 0.03 0.00 -0.53 0.00 0.00 39.78 38.95 1sa1 n ASN 18 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1sa1 n ALA 19 N -2.90 2.77 -0.03 5.20 0.00 -0.22 -2.80 120.51 122.54 1sa1 n ALA 19 Ca 0.44 -0.55 0.02 0.00 0.00 0.00 0.00 53.44 53.35 1sa1 n ALA 19 Cb 1.99 -0.48 -0.10 0.00 0.00 0.00 0.00 19.45 20.86 1sa1 n ALA 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1sa1 h TRP 21 N 0.00 1.07 -0.40 0.00 4.06 0.29 0.14 115.95 121.10 1sa1 h TRP 21 Ca -0.12 -0.05 0.08 0.00 2.06 0.00 0.00 58.89 60.86 1sa1 h TRP 21 Cb 1.01 -0.33 -0.09 0.00 -1.00 0.00 0.00 29.16 28.75 1sa1 h TRP 21 CO 0.00 0.79 -0.25 1.49 -3.56 0.00 0.00 178.44 176.90 1sa1 h GLU 22 N 1.06 -0.18 -0.05 0.49 4.81 -1.71 -1.05 114.58 117.95 1sa1 h GLU 22 Ca 0.25 0.01 -0.08 0.00 -0.13 0.00 0.00 59.36 59.41 1sa1 h GLU 22 Cb 0.14 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.55 1sa1 h GLU 22 CO -0.03 -0.12 -0.36 1.25 -0.73 0.00 0.00 179.01 179.02 1sa1 h LEU 23 N -0.19 0.09 0.60 1.64 5.85 -1.53 -2.01 115.31 119.76 1sa1 h LEU 23 Ca 0.19 -0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.85 1sa1 h LEU 23 Cb 0.48 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.47 1sa1 h LEU 23 CO -0.51 0.45 -0.47 1.88 -0.34 0.00 0.00 178.44 179.45 1sa1 h TYR 24 N 0.08 -1.29 0.01 1.25 0.99 0.23 -2.26 116.97 115.98 1sa1 h TYR 24 Ca 0.01 -0.00 0.02 0.00 2.00 0.00 0.00 58.73 60.76 1sa1 h TYR 24 Cb 0.67 0.48 -0.05 0.00 1.00 0.00 0.00 36.73 38.84 1sa1 h TYR 24 CO 0.00 -0.67 -0.48 0.00 -0.00 0.00 0.00 178.16 177.02 1sa1 h LEU 26 N -0.61 0.19 -0.26 0.00 4.07 -1.35 0.33 115.31 117.68 1sa1 h LEU 26 Ca 0.01 0.23 -0.21 0.00 0.08 0.00 0.00 57.88 57.99 1sa1 h LEU 26 Cb 0.65 0.27 0.00 0.00 1.08 0.00 0.00 40.66 42.66 1sa1 h LEU 26 CO -0.31 -0.28 -0.78 -0.08 -1.08 0.00 0.00 178.44 175.91 1sa1 h GLU 27 N 0.14 0.60 0.00 1.13 4.81 -0.36 -3.30 114.58 117.59 1sa1 h GLU 27 Ca 0.72 -0.50 0.00 0.00 -0.13 0.00 0.00 59.36 59.45 1sa1 h GLU 27 Cb 1.70 0.11 0.00 0.00 0.63 0.00 0.00 28.75 31.19 1sa1 h GLU 27 CO -0.73 1.12 -0.71 0.72 -0.73 0.00 0.00 179.01 178.69 1sa1 n HIS 28 N -3.88 0.06 -1.00 0.92 8.25 0.95 -4.99 115.22 115.54 1sa1 n HIS 28 Ca -0.06 0.02 0.00 0.00 -0.26 0.00 0.00 57.72 57.42 1sa1 n HIS 28 Cb 0.74 -0.23 0.00 0.00 1.12 0.00 0.00 29.99 31.62 1sa1 n HIS 28 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1sa1 n GLY 29 N 1.48 -0.08 2.63 -1.41 0.00 -0.02 -4.97 105.19 102.83 1sa1 n GLY 29 Ca 0.05 -0.33 -0.29 0.00 0.00 0.00 0.00 46.02 45.44 1sa1 n GLY 29 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1sa1 s ILE 30 N -1.65 0.30 -0.04 -0.61 1.01 -1.20 -3.58 121.20 115.43 1sa1 s ILE 30 Ca 0.00 -0.87 -0.30 0.00 0.00 0.00 0.00 60.65 59.49 1sa1 s ILE 30 Cb 0.00 -1.16 -0.07 0.00 0.01 0.00 0.00 42.46 41.25 1sa1 s ILE 30 CO 0.00 -0.59 1.84 0.00 0.00 0.00 0.00 174.94 176.18 1sa1 s GLN 31 N 1.92 4.04 0.00 2.79 0.00 -1.26 -4.68 119.66 122.47 1sa1 s GLN 31 Ca 0.07 2.32 0.00 0.00 -0.00 0.00 0.00 55.36 57.75 1sa1 s GLN 31 Cb -0.17 -4.10 0.00 0.00 0.00 0.00 0.00 33.01 28.74 1sa1 s GLN 31 CO -0.26 -1.04 0.00 -2.30 0.00 0.00 0.00 175.29 171.68 1sa1 n PRO 32 N 7.50 0.00 0.00 9.60 -0.02 -1.26 -2.11 135.00 148.71 1sa1 n PRO 32 Ca 0.20 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.68 1sa1 n PRO 32 Cb 0.42 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.90 1sa1 n PRO 32 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1sa1 n ASP 33 N -2.47 0.00 -3.43 2.55 5.75 -1.26 -3.94 116.55 113.74 1sa1 n ASP 33 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 1sa1 n ASP 33 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 1sa1 n ASP 33 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1sa1 n GLY 34 N 0.44 -1.49 3.90 6.12 0.00 -0.90 -4.41 105.19 108.86 1sa1 n GLY 34 Ca 0.00 -1.37 -0.28 0.00 0.00 0.00 0.00 46.02 44.36 1sa1 n GLY 34 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1sa1 s GLN 35 N 0.00 2.27 -0.91 1.61 0.00 -1.23 -4.24 119.66 117.16 1sa1 s GLN 35 Ca 0.00 0.11 -0.25 0.00 -0.00 0.00 0.00 55.36 55.22 1sa1 s GLN 35 Cb 0.00 -2.03 0.04 0.00 0.00 0.00 0.00 33.01 31.02 1sa1 s GLN 35 CO 0.00 -1.34 1.39 -1.64 0.00 0.00 0.00 175.29 173.69 1sa1 s MET 36 N -5.43 3.42 -0.05 9.60 -1.94 -1.23 -4.16 119.30 119.52 1sa1 s MET 36 Ca 0.60 -0.76 0.09 0.00 -1.71 0.00 0.00 55.69 53.91 1sa1 s MET 36 Cb -0.11 -4.89 0.34 0.00 2.01 0.00 0.00 34.83 32.18 1sa1 s MET 36 CO 0.48 -2.19 1.18 -0.35 -0.01 0.00 0.00 175.02 174.13 1sa1 n PRO 37 N 9.09 2.23 -2.17 2.03 -0.05 -1.26 -4.98 135.00 139.89 1sa1 n PRO 37 Ca 0.21 -1.33 -0.43 0.00 -0.05 0.00 0.00 63.50 61.90 1sa1 n PRO 37 Cb 0.50 -1.52 -0.02 0.00 -0.05 0.00 0.00 33.50 32.41 1sa1 n PRO 37 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 175.50 173.91 1sa1 s SER 38 N -0.73 6.08 0.00 3.54 1.04 -1.26 -5.28 113.70 117.09 1sa1 s SER 38 Ca 0.24 1.03 0.00 0.00 0.48 0.00 0.00 55.95 57.70 1sa1 s SER 38 Cb 0.15 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.74 1sa1 s SER 38 CO 0.12 -1.61 0.00 -0.90 0.98 0.00 0.00 173.24 171.83 1sa1 n ASP 39 N 9.69 0.00 -0.06 7.02 5.75 -1.26 -5.29 116.55 132.39 1sa1 n ASP 39 Ca 0.20 0.00 -0.05 0.00 -0.01 0.00 0.00 54.79 54.92 1sa1 n ASP 39 Cb 0.47 0.00 -0.04 0.00 -1.03 0.00 0.00 41.12 40.52 1sa1 n ASP 39 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 1sa1 h GLY 45 N 0.00 0.00 -5.00 6.12 0.00 -2.05 -3.57 103.07 98.57 1sa1 h GLY 45 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 47.33 47.37 1sa1 h GLY 45 CO 0.00 0.00 -0.08 0.99 0.00 0.00 0.00 176.54 177.45 1sa1 s ASP 46 N -5.81 -0.15 0.00 0.19 1.01 -1.26 -5.12 116.67 105.53 1sa1 s ASP 46 Ca -0.08 -0.17 0.00 0.00 0.71 0.00 0.00 52.55 53.01 1sa1 s ASP 46 Cb -0.01 0.19 0.00 0.00 1.01 0.00 0.00 42.92 44.12 1sa1 s ASP 46 CO 0.25 -0.01 0.00 -0.67 0.21 0.00 0.00 175.17 174.95 1sa1 n ASP 47 N 2.59 0.00 0.00 0.27 4.64 -1.26 -5.06 116.55 117.73 1sa1 n ASP 47 Ca 0.11 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.52 1sa1 n ASP 47 Cb 0.66 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.74 1sa1 n ASP 47 CO 0.00 0.00 0.00 -1.20 -0.82 0.00 0.00 177.20 175.18 1sa1 n SER 48 N 0.00 0.00 0.00 1.67 7.64 -1.26 -4.37 113.62 117.30 1sa1 n SER 48 Ca 0.00 0.00 0.11 0.00 1.01 0.00 0.00 58.87 59.99 1sa1 n SER 48 Cb 0.00 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.15 1sa1 n SER 48 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1sa1 n PHE 49 N 0.00 0.06 0.50 1.43 3.01 -1.25 -4.06 117.46 117.15 1sa1 n PHE 49 Ca 0.00 0.02 0.04 0.00 1.01 0.00 0.00 57.45 58.52 1sa1 n PHE 49 Cb 0.00 -0.20 0.24 0.00 -0.01 0.00 0.00 39.48 39.51 1sa1 n PHE 49 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 1sa1 n ASN 50 N -1.72 0.00 -0.09 4.37 2.85 -1.26 -3.45 115.26 115.97 1sa1 n ASN 50 Ca 0.03 -0.16 -0.07 0.00 -0.11 0.00 0.00 54.58 54.26 1sa1 n ASN 50 Cb 0.39 -0.07 0.00 0.00 1.24 0.00 0.00 39.78 41.34 1sa1 n ASN 50 CO 0.00 0.00 0.00 0.71 -2.11 0.00 0.00 177.26 175.86 1sa1 h THR 51 N 0.00 0.91 0.00 -0.44 1.35 -1.84 -3.32 112.91 109.57 1sa1 h THR 51 Ca 0.00 -0.08 -0.44 0.00 -0.55 0.00 0.00 66.41 65.34 1sa1 h THR 51 Cb 0.02 0.64 -0.07 0.00 -1.73 0.00 0.00 68.15 67.02 1sa1 h THR 51 CO 0.00 0.05 -2.46 0.49 -0.25 0.00 0.00 175.52 173.35 1sa1 n PHE 52 N -5.02 0.08 -3.19 4.73 3.01 -1.23 -2.64 117.46 113.20 1sa1 n PHE 52 Ca 0.00 0.03 -0.29 0.00 1.01 0.00 0.00 57.45 58.20 1sa1 n PHE 52 Cb 0.11 -1.01 -0.03 0.00 -0.01 0.00 0.00 39.48 38.54 1sa1 n PHE 52 CO 0.00 0.00 0.00 -0.06 1.01 0.00 0.00 176.76 177.71 1sa1 s PHE 53 N -2.50 3.48 -0.17 1.38 0.40 -1.22 -2.88 117.98 116.46 1sa1 s PHE 53 Ca -0.37 0.73 -0.04 0.00 -0.60 0.00 0.00 56.93 56.65 1sa1 s PHE 53 Cb 0.13 -2.19 -0.03 0.00 0.51 0.00 0.00 43.02 41.45 1sa1 s PHE 53 CO 0.52 0.08 -0.02 -1.54 0.70 0.00 0.00 175.22 174.97 1sa1 s SER 54 N -3.24 4.91 -1.38 1.36 1.04 -0.77 -4.42 113.70 111.19 1sa1 s SER 54 Ca 0.46 -0.12 -0.16 0.00 0.48 0.00 0.00 55.95 56.61 1sa1 s SER 54 Cb -0.11 -1.82 0.06 0.00 0.10 0.00 0.00 66.02 64.26 1sa1 s SER 54 CO 0.31 0.14 1.99 -1.84 0.98 0.00 0.00 173.24 174.82 1sa1 n GLU 55 N 3.71 3.03 -1.42 4.02 0.00 -1.26 -4.24 120.64 124.49 1sa1 n GLU 55 Ca -0.17 -2.95 -0.29 0.00 0.00 0.00 0.00 57.16 53.75 1sa1 n GLU 55 Cb 0.52 -3.38 0.16 0.00 0.00 0.00 0.00 31.44 28.75 1sa1 n GLU 55 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.13 177.05 1sa1 s THR 56 N 3.62 1.95 0.00 3.84 -1.32 -1.24 -4.83 115.64 117.65 1sa1 s THR 56 Ca 0.50 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.98 1sa1 s THR 56 Cb 0.09 -2.67 0.00 0.00 -1.51 0.00 0.00 72.50 68.41 1sa1 s THR 56 CO -0.01 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.01 1sa1 n GLY 57 N -1.90 3.05 0.40 6.08 0.00 -1.26 -3.34 105.19 108.22 1sa1 n GLY 57 Ca 0.08 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.92 1sa1 n GLY 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sa1 n ALA 58 N 9.67 1.79 0.02 4.61 0.00 -1.26 -4.88 120.51 130.46 1sa1 n ALA 58 Ca 0.00 -0.76 0.00 0.00 0.00 0.00 0.00 53.44 52.68 1sa1 n ALA 58 Cb 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 19.45 19.11 1sa1 n ALA 58 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sa1 n GLY 59 N 0.00 -0.03 3.73 0.00 0.00 -1.26 -5.09 105.19 102.55 1sa1 n GLY 59 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 1sa1 n GLY 59 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1sa1 n LYS 60 N -2.76 1.22 -0.06 1.61 5.02 -1.21 -3.51 118.16 118.47 1sa1 n LYS 60 Ca 0.00 0.47 -0.08 0.00 -2.02 0.00 0.00 58.31 56.68 1sa1 n LYS 60 Cb 0.13 -2.54 -0.07 0.00 -0.02 0.00 0.00 35.03 32.53 1sa1 n LYS 60 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1sa1 n HIS 61 N -1.76 0.00 -1.57 2.13 8.25 -1.26 -3.63 115.22 117.38 1sa1 n HIS 61 Ca 0.15 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.61 1sa1 n HIS 61 Cb 0.47 -0.51 0.00 0.00 1.12 0.00 0.00 29.99 31.07 1sa1 n HIS 61 CO 0.00 0.00 0.00 1.55 0.64 0.00 0.00 176.34 178.53 1sa1 n VAL 62 N -2.71 -1.52 -1.12 1.59 3.14 -1.26 -3.75 118.33 112.70 1sa1 n VAL 62 Ca -0.21 0.40 -0.29 0.00 -2.96 0.00 0.00 64.34 61.28 1sa1 n VAL 62 Cb 0.78 -1.03 0.19 0.00 -1.06 0.00 0.00 33.84 32.72 1sa1 n VAL 62 CO 0.00 0.00 0.00 -2.16 -6.46 0.00 0.00 176.83 168.21 1sa1 s PRO 63 N -0.14 0.15 -0.70 1.45 0.04 -1.26 -1.85 135.00 132.68 1sa1 s PRO 63 Ca 0.00 0.47 -0.09 0.00 0.04 0.00 0.00 61.00 61.42 1sa1 s PRO 63 Cb 0.00 -1.71 0.18 0.00 0.04 0.00 0.00 34.50 33.01 1sa1 s PRO 63 CO 0.00 -2.91 0.58 1.03 0.04 0.00 0.00 177.00 175.74 1sa1 s ARG 64 N -4.96 3.04 0.02 4.56 0.52 -1.14 -4.62 118.95 116.37 1sa1 s ARG 64 Ca 0.66 -2.41 0.00 0.00 -0.52 0.00 0.00 55.73 53.46 1sa1 s ARG 64 Cb -0.19 -4.08 -0.02 0.00 0.52 0.00 0.00 34.95 31.18 1sa1 s ARG 64 CO 0.58 -1.23 -0.03 0.00 0.02 0.00 0.00 175.30 174.64 1sa1 s ALA 65 N 0.21 0.13 -0.06 2.13 0.00 -1.26 -0.11 121.76 122.81 1sa1 s ALA 65 Ca 0.16 -0.58 -0.03 0.00 0.00 0.00 0.00 51.96 51.50 1sa1 s ALA 65 Cb -0.16 0.14 0.03 0.00 0.00 0.00 0.00 23.12 23.13 1sa1 s ALA 65 CO -0.05 -0.15 0.14 0.14 0.00 0.00 0.00 175.76 175.83 1sa1 s VAL 66 N -1.42 -0.03 -0.09 0.00 -7.23 0.14 -4.79 120.40 106.98 1sa1 s VAL 66 Ca -0.15 0.11 0.03 0.00 -1.81 0.00 0.00 61.98 60.15 1sa1 s VAL 66 Cb -0.10 -0.22 -0.01 0.00 0.56 0.00 0.00 36.38 36.61 1sa1 s VAL 66 CO -0.01 0.04 -0.18 -0.36 -0.31 0.00 0.00 175.10 174.29 1sa1 s PHE 67 N 0.74 2.66 -0.07 2.82 0.40 -0.46 0.39 117.98 124.46 1sa1 s PHE 67 Ca -0.06 -0.59 0.01 0.00 -0.60 0.00 0.00 56.93 55.70 1sa1 s PHE 67 Cb -0.07 -1.71 0.02 0.00 0.51 0.00 0.00 43.02 41.76 1sa1 s PHE 67 CO -0.04 -0.14 -0.06 0.08 0.70 0.00 0.00 175.22 175.77 1sa1 s VAL 68 N -0.05 0.74 0.07 -0.44 1.01 -0.84 -0.62 120.40 120.27 1sa1 s VAL 68 Ca -0.04 -0.20 -0.05 0.00 0.00 0.00 0.00 61.98 61.69 1sa1 s VAL 68 Cb -0.14 -0.76 -0.02 0.00 0.00 0.00 0.00 36.38 35.46 1sa1 s VAL 68 CO 0.04 0.29 0.08 -0.62 0.00 0.00 0.00 175.10 174.89 1sa1 s ASP 69 N 1.17 0.30 0.00 3.32 3.68 -1.08 -1.26 116.67 122.79 1sa1 s ASP 69 Ca -0.06 -0.82 0.24 0.00 2.13 0.00 0.00 52.55 54.04 1sa1 s ASP 69 Cb -0.14 0.27 0.32 0.00 -1.45 0.00 0.00 42.92 41.92 1sa1 s ASP 69 CO -0.01 -0.67 1.32 0.18 0.13 0.00 0.00 175.17 176.12 1sa1 n LEU 70 N 0.02 2.45 -4.54 -1.34 4.32 -1.26 -0.43 117.00 116.21 1sa1 n LEU 70 Ca -0.15 -0.83 -0.24 0.00 -0.02 0.00 0.00 56.01 54.78 1sa1 n LEU 70 Cb 0.62 -0.01 -0.09 0.00 -1.62 0.00 0.00 43.42 42.32 1sa1 n LEU 70 CO 0.25 0.42 -0.41 -1.83 -1.22 0.00 0.00 177.39 174.60 1sa1 s GLU 71 N -2.13 1.92 0.00 3.23 -1.05 -1.26 -0.51 118.70 118.89 1sa1 s GLU 71 Ca 0.27 -1.67 0.00 0.00 -0.15 0.00 0.00 54.97 53.42 1sa1 s GLU 71 Cb 0.20 -1.90 0.00 0.00 -0.44 0.00 0.00 34.13 31.99 1sa1 s GLU 71 CO 0.37 0.31 0.00 -2.30 0.95 0.00 0.00 175.26 174.59 1sa1 n PRO 72 N -0.75 0.00 0.00 -4.83 -0.02 -1.26 -4.32 135.00 123.82 1sa1 n PRO 72 Ca -0.05 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.43 1sa1 n PRO 72 Cb 0.60 -0.04 0.00 0.00 -0.02 0.00 0.00 33.50 34.04 1sa1 n PRO 72 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 1sa1 n THR 73 N 0.00 0.00 0.04 3.45 -1.04 -1.26 -2.74 114.28 112.73 1sa1 n THR 73 Ca 0.00 0.00 -0.13 0.00 -2.04 0.00 0.00 64.05 61.88 1sa1 n THR 73 Cb 0.00 0.00 -0.09 0.00 -1.82 0.00 0.00 70.33 68.42 1sa1 n THR 73 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 1sa1 h VAL 74 N 0.00 1.12 -0.92 12.58 2.07 -1.99 -3.16 116.25 125.94 1sa1 h VAL 74 Ca 0.00 -0.93 0.05 0.00 0.82 0.00 0.00 66.70 66.64 1sa1 h VAL 74 Cb 0.00 1.70 -0.06 0.00 -1.52 0.00 0.00 31.29 31.41 1sa1 h VAL 74 CO 0.00 0.22 0.59 0.40 0.02 0.00 0.00 177.57 178.80 1sa1 h ILE 75 N -0.57 1.11 -0.32 4.57 1.08 -1.81 -2.72 117.51 118.85 1sa1 h ILE 75 Ca -0.01 -0.38 0.06 0.00 -0.39 0.00 0.00 64.86 64.14 1sa1 h ILE 75 Cb 0.47 -0.10 -0.06 0.00 -3.07 0.00 0.00 36.82 34.06 1sa1 h ILE 75 CO 0.02 0.20 -0.05 0.44 -0.69 0.00 0.00 178.15 178.08 1sa1 h ASP 76 N 1.11 -0.24 -0.82 1.72 5.19 -1.75 0.46 116.42 122.09 1sa1 h ASP 76 Ca 0.38 0.09 0.24 0.00 -0.62 0.00 0.00 57.03 57.12 1sa1 h ASP 76 Cb 0.07 0.17 -0.03 0.00 0.18 0.00 0.00 39.33 39.73 1sa1 h ASP 76 CO -0.14 -0.08 0.64 -0.08 -3.12 0.00 0.00 179.24 176.45 1sa1 h GLU 77 N 0.03 0.00 -0.24 3.56 4.57 -1.45 3.19 114.58 124.24 1sa1 h GLU 77 Ca 0.16 0.00 -0.14 0.00 -1.18 0.00 0.00 59.36 58.20 1sa1 h GLU 77 Cb 0.23 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.81 1sa1 h GLU 77 CO -0.31 0.00 -0.42 0.28 -1.18 0.00 0.00 179.01 177.38 1sa1 h VAL 78 N 0.00 1.30 -0.19 0.32 2.07 -0.94 -2.82 116.25 115.99 1sa1 h VAL 78 Ca 0.39 -1.60 0.00 0.00 0.82 0.00 0.00 66.70 66.31 1sa1 h VAL 78 Cb 1.66 1.57 0.00 0.00 -1.52 0.00 0.00 31.29 33.00 1sa1 h VAL 78 CO -0.00 0.51 0.00 0.54 0.02 0.00 0.00 177.57 178.63 1sa1 n ARG 79 N -4.02 1.52 -0.09 1.57 1.74 1.05 -3.02 116.66 115.40 1sa1 n ARG 79 Ca -0.02 -0.80 -0.18 0.00 -0.77 0.00 0.00 57.85 56.08 1sa1 n ARG 79 Cb 0.53 -1.25 -0.06 0.00 -1.02 0.00 0.00 32.46 30.66 1sa1 n ARG 79 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 1sa1 n THR 80 N 0.09 1.20 -4.12 0.55 -1.04 -0.15 -4.90 114.28 105.91 1sa1 n THR 80 Ca 0.11 -0.16 -0.33 0.00 -2.04 0.00 0.00 64.05 61.64 1sa1 n THR 80 Cb 0.21 -1.88 -0.07 0.00 -1.82 0.00 0.00 70.33 66.78 1sa1 n THR 80 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 1sa1 s GLY 81 N -5.19 2.00 0.48 3.41 0.00 -1.12 -4.87 107.32 102.03 1sa1 s GLY 81 Ca -0.27 -0.89 -0.19 0.00 0.00 0.00 0.00 44.72 43.37 1sa1 s GLY 81 CO 0.35 -0.77 0.10 -1.30 0.00 0.00 0.00 173.10 171.48 1sa1 n THR 82 N 1.17 0.70 0.00 0.90 -2.24 -1.26 -1.24 114.28 112.31 1sa1 n THR 82 Ca -0.13 -0.50 0.00 0.00 -2.27 0.00 0.00 64.05 61.15 1sa1 n THR 82 Cb 0.53 -0.16 0.00 0.00 -2.10 0.00 0.00 70.33 68.60 1sa1 n THR 82 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1sa1 n TYR 83 N -1.34 0.00 0.19 4.78 0.53 -1.26 -4.91 117.16 115.15 1sa1 n TYR 83 Ca 0.10 0.00 0.10 0.00 -1.02 0.00 0.00 57.90 57.08 1sa1 n TYR 83 Cb 0.44 0.00 0.55 0.00 -1.03 0.00 0.00 39.34 39.30 1sa1 n TYR 83 CO 0.00 0.00 0.00 0.07 -1.02 0.00 0.00 176.86 175.91 1sa1 h ARG 84 N 1.29 0.00 -0.00 -0.72 0.11 -1.08 0.37 114.38 114.35 1sa1 h ARG 84 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1sa1 h ARG 84 Cb 0.00 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.08 1sa1 h ARG 84 CO 0.00 0.00 -0.90 1.04 0.10 0.00 0.00 179.97 180.21 1sa1 n GLN 85 N -2.27 0.12 0.02 0.08 1.13 -1.26 -4.53 117.38 110.67 1sa1 n GLN 85 Ca -0.01 -0.10 0.11 0.00 -1.94 0.00 0.00 57.00 55.06 1sa1 n GLN 85 Cb 0.19 -1.50 0.03 0.00 0.11 0.00 0.00 30.24 29.08 1sa1 n GLN 85 CO 0.00 0.00 0.00 -0.11 -1.44 0.00 0.00 177.06 175.51 1sa1 n LEU 86 N -1.35 0.63 -4.84 1.08 7.94 0.13 -4.72 117.00 115.87 1sa1 n LEU 86 Ca 0.05 -0.04 -0.23 0.00 -1.11 0.00 0.00 56.01 54.67 1sa1 n LEU 86 Cb 0.34 -0.10 -0.04 0.00 0.53 0.00 0.00 43.42 44.15 1sa1 n LEU 86 CO 0.41 0.06 -0.03 -0.36 -1.11 0.00 0.00 177.39 176.36 1sa1 s PHE 87 N -3.17 2.39 0.30 1.96 2.99 -1.24 -4.38 117.98 116.83 1sa1 s PHE 87 Ca 0.04 -0.61 -0.13 0.00 0.00 0.00 0.00 56.93 56.23 1sa1 s PHE 87 Cb 0.15 -2.04 -0.08 0.00 0.00 0.00 0.00 43.02 41.04 1sa1 s PHE 87 CO 0.80 -0.13 0.69 -1.58 -0.00 0.00 0.00 175.22 175.00 1sa1 s HIS 88 N -2.59 3.39 0.32 0.36 2.46 -1.26 -4.95 115.29 113.01 1sa1 s HIS 88 Ca 0.42 1.12 0.37 0.00 0.47 0.00 0.00 55.06 57.44 1sa1 s HIS 88 Cb -0.01 -2.46 1.90 0.00 -0.13 0.00 0.00 32.58 31.89 1sa1 s HIS 88 CO 0.25 0.13 2.12 -1.00 -2.47 0.00 0.00 174.74 173.77 1sa1 h PRO 89 N 2.29 0.00 0.00 2.88 0.13 -1.95 -1.93 132.00 133.42 1sa1 h PRO 89 Ca -0.48 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.48 1sa1 h PRO 89 Cb 1.17 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.28 1sa1 h PRO 89 CO 0.66 0.00 -0.83 1.49 -0.23 0.00 0.00 178.00 179.09 1sa1 h GLU 90 N 0.00 0.00 0.00 0.86 4.81 -2.01 -2.48 114.58 115.76 1sa1 h GLU 90 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1sa1 h GLU 90 Cb 0.10 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.48 1sa1 h GLU 90 CO 0.00 0.83 0.00 1.04 -0.73 0.00 0.00 179.01 180.15 1sa1 n GLN 91 N -3.45 0.94 -3.44 1.92 6.02 -0.73 -4.48 117.38 114.17 1sa1 n GLN 91 Ca -0.00 0.00 -0.32 0.00 -0.01 0.00 0.00 57.00 56.67 1sa1 n GLN 91 Cb 0.83 -1.48 -0.06 0.00 1.02 0.00 0.00 30.24 30.54 1sa1 n GLN 91 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1sa1 n LEU 92 N -0.98 4.32 -4.66 1.08 4.77 -0.93 -1.36 117.00 119.24 1sa1 n LEU 92 Ca 0.22 -5.31 -0.43 0.00 -0.03 0.00 0.00 56.01 50.46 1sa1 n LEU 92 Cb 0.10 -0.89 -0.02 0.00 -2.33 0.00 0.00 43.42 40.28 1sa1 n LEU 92 CO 0.16 1.85 0.93 -0.63 -1.33 0.00 0.00 177.39 178.37 1sa1 s ILE 93 N -2.21 4.63 -0.09 -0.08 1.01 0.21 -4.98 121.20 119.69 1sa1 s ILE 93 Ca 0.34 1.97 0.02 0.00 0.00 0.00 0.00 60.65 62.97 1sa1 s ILE 93 Cb 0.06 -4.27 -0.02 0.00 0.01 0.00 0.00 42.46 38.24 1sa1 s ILE 93 CO -0.03 -0.16 -0.14 0.28 0.00 0.00 0.00 174.94 174.89 1sa1 s THR 94 N 3.15 3.00 -1.12 2.92 -1.32 -1.26 -2.64 115.64 118.37 1sa1 s THR 94 Ca 0.46 -0.71 0.18 0.00 -1.21 0.00 0.00 61.69 60.40 1sa1 s THR 94 Cb -0.16 -2.21 0.73 0.00 -1.51 0.00 0.00 72.50 69.34 1sa1 s THR 94 CO 0.08 0.56 1.63 0.61 -2.21 0.00 0.00 174.62 175.29 1sa1 n GLY 95 N 2.94 2.68 0.73 6.08 0.00 0.43 -4.92 105.19 113.13 1sa1 n GLY 95 Ca -0.18 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 45.00 1sa1 n GLY 95 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1sa1 n LYS 96 N 1.11 0.00 -4.04 1.61 -0.00 -1.24 -4.68 118.16 110.93 1sa1 n LYS 96 Ca 0.26 0.00 -0.31 0.00 -0.00 0.00 0.00 58.31 58.26 1sa1 n LYS 96 Cb 0.90 -0.13 -0.16 0.00 -0.00 0.00 0.00 35.03 35.64 1sa1 n LYS 96 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 1sa1 s GLU 97 N 0.00 2.33 -0.34 -1.58 2.02 0.33 -4.78 118.70 116.68 1sa1 s GLU 97 Ca 0.00 -0.80 -0.16 0.00 0.02 0.00 0.00 54.97 54.03 1sa1 s GLU 97 Cb 0.00 -2.39 0.02 0.00 0.10 0.00 0.00 34.13 31.86 1sa1 s GLU 97 CO 0.00 -0.33 0.40 -0.25 0.02 0.00 0.00 175.26 175.09 1sa1 n ASP 98 N 4.68 -7.11 0.00 -0.19 8.00 -1.24 -4.42 116.55 116.26 1sa1 n ASP 98 Ca -0.17 0.53 0.00 0.00 0.71 0.00 0.00 54.79 55.86 1sa1 n ASP 98 Cb 0.48 -3.80 0.00 0.00 -0.02 0.00 0.00 41.12 37.78 1sa1 n ASP 98 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1sa1 n ALA 99 N 0.19 0.00 0.00 2.24 0.00 -1.26 -4.84 120.51 116.84 1sa1 n ALA 99 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 1sa1 n ALA 99 Cb 0.43 0.02 0.00 0.00 0.00 0.00 0.00 19.45 19.90 1sa1 n ALA 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1sa1 n ALA 100 N -0.90 0.00 -0.09 0.00 0.00 -1.26 -4.61 120.51 113.66 1sa1 n ALA 100 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1sa1 n ALA 100 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1sa1 n ALA 100 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1sa1 n ASN 101 N 0.00 -0.26 -3.72 0.00 3.02 -1.26 -4.91 115.26 108.12 1sa1 n ASN 101 Ca 0.00 0.00 -0.12 0.00 -0.03 0.00 0.00 54.58 54.43 1sa1 n ASN 101 Cb 0.00 -0.04 -0.10 0.00 -0.61 0.00 0.00 39.78 39.03 1sa1 n ASN 101 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1sa1 s ASN 102 N -2.07 -0.46 0.34 6.41 4.22 -1.26 -4.49 114.94 117.62 1sa1 s ASN 102 Ca 0.00 0.86 0.12 0.00 -2.14 0.00 0.00 52.86 51.70 1sa1 s ASN 102 Cb 0.00 0.84 0.94 0.00 1.28 0.00 0.00 41.25 44.31 1sa1 s ASN 102 CO 0.00 -0.16 1.74 0.22 -2.04 0.00 0.00 177.10 176.87 1sa1 h TYR 103 N 5.89 0.91 -0.90 1.54 3.20 -1.91 0.71 116.97 126.42 1sa1 h TYR 103 Ca -0.29 0.03 0.13 0.00 3.14 0.00 0.00 58.73 61.74 1sa1 h TYR 103 Cb 1.18 -0.26 -0.09 0.00 1.54 0.00 0.00 36.73 39.10 1sa1 h TYR 103 CO 0.36 0.07 0.51 0.00 -1.64 0.00 0.00 178.16 177.46 1sa1 h ALA 104 N 1.69 1.35 0.07 1.82 0.00 -1.91 -1.34 119.26 120.94 1sa1 h ALA 104 Ca 0.63 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.59 1sa1 h ALA 104 Cb 1.30 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.99 1sa1 h ALA 104 CO -0.42 0.03 -0.05 -0.09 0.00 0.00 0.00 179.25 178.72 1sa1 h ARG 105 N 0.76 -0.11 0.00 0.00 9.65 0.09 -3.15 114.38 121.63 1sa1 h ARG 105 Ca 0.47 0.01 0.00 0.00 -1.10 0.00 0.00 59.98 59.36 1sa1 h ARG 105 Cb 0.58 0.02 0.00 0.00 -1.39 0.00 0.00 29.97 29.18 1sa1 h ARG 105 CO -0.32 -0.07 0.00 0.41 2.80 0.00 0.00 179.97 182.79 1sa1 n GLY 106 N -1.06 -2.93 0.00 2.80 0.00 -0.87 0.01 105.19 103.15 1sa1 n GLY 106 Ca -0.01 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.14 1sa1 n GLY 106 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1sa1 n HIS 107 N -1.10 0.00 0.07 1.61 -0.00 -0.56 -1.33 115.22 113.91 1sa1 n HIS 107 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 1sa1 n HIS 107 Cb 0.00 -0.19 0.00 0.00 -0.00 0.00 0.00 29.99 29.80 1sa1 n HIS 107 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.34 177.00 1sa1 n TYR 108 N -1.16 -1.20 0.00 1.57 4.02 -1.13 -4.73 117.16 114.54 1sa1 n TYR 108 Ca 0.00 0.21 0.00 0.00 -0.01 0.00 0.00 57.90 58.10 1sa1 n TYR 108 Cb 0.25 0.50 0.00 0.00 -0.02 0.00 0.00 39.34 40.07 1sa1 n TYR 108 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 176.86 178.26 1sa1 n THR 109 N -3.02 0.00 0.20 -0.72 -1.04 0.10 -3.92 114.28 105.88 1sa1 n THR 109 Ca 0.00 0.27 0.09 0.00 -2.04 0.00 0.00 64.05 62.37 1sa1 n THR 109 Cb 0.02 -1.01 0.28 0.00 -1.82 0.00 0.00 70.33 67.81 1sa1 n THR 109 CO 0.00 0.00 0.00 -0.29 -0.64 0.00 0.00 175.07 174.14 1sa1 h ILE 110 N 0.00 0.50 0.48 12.58 6.09 -1.56 -3.37 117.51 132.23 1sa1 h ILE 110 Ca 0.00 -1.40 -0.02 0.00 -1.37 0.00 0.00 64.86 62.07 1sa1 h ILE 110 Cb 0.00 2.00 0.00 0.00 0.47 0.00 0.00 36.82 39.29 1sa1 h ILE 110 CO 0.00 0.25 -0.23 1.23 -3.07 0.00 0.00 178.15 176.33 1sa1 h GLY 111 N 2.89 -0.67 -0.22 8.18 0.00 -1.27 -2.89 103.07 109.09 1sa1 h GLY 111 Ca -0.00 0.25 0.08 0.00 0.00 0.00 0.00 47.33 47.66 1sa1 h GLY 111 CO 0.03 -0.24 0.13 1.17 0.00 0.00 0.00 176.54 177.63 1sa1 n LYS 112 N -5.24 -0.01 -0.03 4.80 4.81 -1.25 -0.92 118.16 120.31 1sa1 n LYS 112 Ca -0.10 0.23 -0.13 0.00 -0.87 0.00 0.00 58.31 57.44 1sa1 n LYS 112 Cb 0.30 -0.43 -0.08 0.00 0.02 0.00 0.00 35.03 34.84 1sa1 n LYS 112 CO 0.00 0.00 0.00 1.49 1.17 0.00 0.00 177.40 180.06 1sa1 h GLU 113 N 0.00 0.19 0.00 1.64 4.57 -1.72 -3.36 114.58 115.90 1sa1 h GLU 113 Ca 0.15 -0.09 0.00 0.00 -1.18 0.00 0.00 59.36 58.25 1sa1 h GLU 113 Cb 0.46 -0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.05 1sa1 h GLU 113 CO -0.10 0.57 -1.85 1.51 -1.18 0.00 0.00 179.01 177.96 1sa1 n ILE 114 N -4.73 0.00 -0.36 2.32 0.13 -0.10 -4.45 119.36 112.16 1sa1 n ILE 114 Ca -0.07 -0.43 0.32 0.00 -1.10 0.00 0.00 62.75 61.47 1sa1 n ILE 114 Cb 0.28 0.14 0.64 0.00 -0.84 0.00 0.00 39.64 39.86 1sa1 n ILE 114 CO 0.00 0.00 0.00 -0.29 2.80 0.00 0.00 176.55 179.06 1sa1 h ILE 115 N 0.00 0.38 -0.01 9.51 -0.00 -1.58 0.23 117.51 126.04 1sa1 h ILE 115 Ca 0.00 -0.06 -0.13 0.00 -0.00 0.00 0.00 64.86 64.67 1sa1 h ILE 115 Cb 0.91 0.20 0.01 0.00 -0.00 0.00 0.00 36.82 37.94 1sa1 h ILE 115 CO 0.00 0.03 -0.51 0.44 -0.00 0.00 0.00 178.15 178.11 1sa1 h ASP 116 N 0.17 0.47 -0.29 2.19 3.32 -1.81 -0.64 116.42 119.82 1sa1 h ASP 116 Ca 0.64 -0.75 -0.08 0.00 0.02 0.00 0.00 57.03 56.86 1sa1 h ASP 116 Cb 2.10 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 41.49 1sa1 h ASP 116 CO -0.19 1.16 -0.07 0.25 -1.72 0.00 0.00 179.24 178.66 1sa1 h LEU 117 N -0.18 0.66 0.12 1.55 5.85 -0.88 -1.44 115.31 120.99 1sa1 h LEU 117 Ca -0.06 -0.17 -0.01 0.00 0.84 0.00 0.00 57.88 58.48 1sa1 h LEU 117 Cb 1.23 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 42.08 1sa1 h LEU 117 CO 0.10 0.78 -0.06 0.58 -0.34 0.00 0.00 178.44 179.50 1sa1 h VAL 118 N 0.63 0.00 -1.44 1.05 2.07 -1.21 -2.58 116.25 114.77 1sa1 h VAL 118 Ca 0.12 -0.07 0.46 0.00 0.82 0.00 0.00 66.70 68.02 1sa1 h VAL 118 Cb 0.50 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 30.17 1sa1 h VAL 118 CO 0.03 0.00 0.98 -0.11 0.02 0.00 0.00 177.57 178.49 1sa1 n LEU 119 N -2.64 0.11 0.00 2.57 7.94 -0.25 -0.18 117.00 124.55 1sa1 n LEU 119 Ca -0.02 1.08 0.00 0.00 -1.11 0.00 0.00 56.01 55.96 1sa1 n LEU 119 Cb 0.06 -0.53 0.00 0.00 0.53 0.00 0.00 43.42 43.48 1sa1 n LEU 119 CO 0.05 -1.15 0.24 -0.67 -1.11 0.00 0.00 177.39 174.75 1sa1 n ASP 120 N -4.15 0.00 -0.46 1.96 -0.08 -0.55 -3.26 116.55 110.01 1sa1 n ASP 120 Ca 0.37 0.47 0.38 0.00 -1.51 0.00 0.00 54.79 54.51 1sa1 n ASP 120 Cb 1.55 0.00 0.66 0.00 2.34 0.00 0.00 41.12 45.67 1sa1 n ASP 120 CO 0.00 0.00 0.00 0.03 0.12 0.00 0.00 177.20 177.35 1sa1 h ARG 121 N 0.00 0.06 -0.02 -0.67 2.47 -0.15 0.64 114.38 116.71 1sa1 h ARG 121 Ca 0.00 -0.00 -0.19 0.00 -1.26 0.00 0.00 59.98 58.53 1sa1 h ARG 121 Cb 0.00 -0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 28.30 1sa1 h ARG 121 CO 0.00 0.04 -0.82 -0.84 0.56 0.00 0.00 179.97 178.91 1sa1 h ILE 122 N 0.06 1.45 -0.16 2.04 3.07 -1.59 -1.14 117.51 121.24 1sa1 h ILE 122 Ca 0.84 -2.43 -0.03 0.00 1.55 0.00 0.00 64.86 64.79 1sa1 h ILE 122 Cb 2.68 2.34 -0.01 0.00 -0.27 0.00 0.00 36.82 41.56 1sa1 h ILE 122 CO -0.41 0.71 -0.01 -0.09 -1.05 0.00 0.00 178.15 177.30 1sa1 h ARG 123 N 0.16 0.29 -0.85 0.16 2.43 0.30 -2.04 114.38 114.82 1sa1 h ARG 123 Ca -0.04 -0.10 0.25 0.00 -0.81 0.00 0.00 59.98 59.28 1sa1 h ARG 123 Cb 1.42 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 30.92 1sa1 h ARG 123 CO 0.13 0.53 0.89 0.87 -1.51 0.00 0.00 179.97 180.89 1sa1 h LYS 124 N 0.01 0.00 0.05 0.20 1.57 -1.04 0.81 116.57 118.17 1sa1 h LYS 124 Ca 0.04 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 58.48 1sa1 h LYS 124 Cb 0.41 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.68 1sa1 h LYS 124 CO 0.01 0.00 -2.04 -0.11 -0.57 0.00 0.00 179.45 176.74 1sa1 n LEU 125 N -3.54 1.81 -0.29 2.94 0.00 -0.47 -3.79 117.00 113.66 1sa1 n LEU 125 Ca 0.18 0.19 0.14 0.00 0.00 0.00 0.00 56.01 56.52 1sa1 n LEU 125 Cb 1.17 -0.48 0.65 0.00 0.00 0.00 0.00 43.42 44.77 1sa1 n LEU 125 CO 0.28 0.68 0.94 0.00 0.00 0.00 0.00 177.39 179.28 1sa1 n ALA 126 N -2.87 2.61 0.09 1.96 0.00 0.32 -3.09 120.51 119.53 1sa1 n ALA 126 Ca -0.30 -0.35 -0.07 0.00 0.00 0.00 0.00 53.44 52.73 1sa1 n ALA 126 Cb 1.05 -1.29 -0.03 0.00 0.00 0.00 0.00 19.45 19.19 1sa1 n ALA 126 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1sa1 h ASP 127 N 1.38 0.09 -3.36 0.00 3.45 0.41 -3.39 116.42 114.99 1sa1 h ASP 127 Ca 0.00 -0.08 -0.57 0.00 0.43 0.00 0.00 57.03 56.81 1sa1 h ASP 127 Cb 0.29 -0.03 -0.06 0.00 -0.56 0.00 0.00 39.33 38.97 1sa1 h ASP 127 CO 0.00 0.93 0.08 -1.10 -1.57 0.00 0.00 179.24 177.59 1sa1 s GLN 128 N -3.04 4.39 0.00 3.56 -1.52 -1.18 -4.90 119.66 116.97 1sa1 s GLN 128 Ca -0.01 0.80 0.00 0.00 -1.95 0.00 0.00 55.36 54.20 1sa1 s GLN 128 Cb 0.10 -3.47 0.00 0.00 -0.22 0.00 0.00 33.01 29.42 1sa1 s GLN 128 CO 0.81 0.01 0.00 0.00 -0.25 0.00 0.00 175.29 175.86 1sa1 s THR 130 N 0.00 4.60 0.00 0.00 -4.23 -1.26 -4.43 115.64 110.32 1sa1 s THR 130 Ca 0.00 -2.24 0.00 0.00 -1.18 0.00 0.00 61.69 58.27 1sa1 s THR 130 Cb 0.00 -5.04 0.00 0.00 1.34 0.00 0.00 72.50 68.80 1sa1 s THR 130 CO 0.00 -1.80 0.00 0.61 -0.54 0.00 0.00 174.62 172.89 1sa1 n GLY 131 N 4.79 0.07 3.54 3.99 0.00 -1.26 -4.89 105.19 111.43 1sa1 n GLY 131 Ca 0.41 -0.40 -0.29 0.00 0.00 0.00 0.00 46.02 45.74 1sa1 n GLY 131 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1sa1 s LEU 132 N -0.63 1.34 -0.06 0.99 2.96 -1.26 -3.74 118.68 118.29 1sa1 s LEU 132 Ca 0.00 1.66 -0.02 0.00 -0.22 0.00 0.00 54.13 55.55 1sa1 s LEU 132 Cb 0.00 -3.69 -0.03 0.00 0.50 0.00 0.00 46.19 42.97 1sa1 s LEU 132 CO 0.00 -3.89 -0.07 1.67 -1.32 0.00 0.00 176.35 172.74 1sa1 n GLN 133 N -4.72 0.13 -3.61 1.98 7.27 -0.88 -4.75 117.38 112.80 1sa1 n GLN 133 Ca 0.05 0.05 0.00 0.00 0.07 0.00 0.00 57.00 57.17 1sa1 n GLN 133 Cb 0.54 -0.83 0.00 0.00 2.41 0.00 0.00 30.24 32.35 1sa1 n GLN 133 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1sa1 n GLY 134 N 2.80 -1.58 3.24 1.69 0.00 -1.26 -2.77 105.19 107.30 1sa1 n GLY 134 Ca -0.11 -1.10 -0.30 0.00 0.00 0.00 0.00 46.02 44.50 1sa1 n GLY 134 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1sa1 s PHE 135 N -2.72 2.21 -0.23 1.61 0.40 -0.87 -3.07 117.98 115.31 1sa1 s PHE 135 Ca 0.00 -0.61 -0.15 0.00 -0.60 0.00 0.00 56.93 55.57 1sa1 s PHE 135 Cb 0.00 -1.45 -0.04 0.00 0.51 0.00 0.00 43.02 42.04 1sa1 s PHE 135 CO 0.00 -0.17 0.36 -1.54 0.70 0.00 0.00 175.22 174.57 1sa1 s SER 136 N -0.19 6.34 -0.22 1.36 1.04 -1.13 -1.68 113.70 119.23 1sa1 s SER 136 Ca -0.01 0.39 0.01 0.00 0.48 0.00 0.00 55.95 56.81 1sa1 s SER 136 Cb -0.12 -2.21 0.03 0.00 0.10 0.00 0.00 66.02 63.82 1sa1 s SER 136 CO 0.02 -0.09 -0.14 -0.69 0.98 0.00 0.00 173.24 173.33 1sa1 s VAL 137 N 1.51 2.37 -0.18 5.02 1.01 -0.83 -1.15 120.40 128.15 1sa1 s VAL 137 Ca 0.16 -1.09 -0.05 0.00 0.00 0.00 0.00 61.98 61.00 1sa1 s VAL 137 Cb -0.15 -2.14 -0.03 0.00 0.00 0.00 0.00 36.38 34.06 1sa1 s VAL 137 CO 0.08 0.32 0.01 -0.36 0.00 0.00 0.00 175.10 175.15 1sa1 s PHE 138 N 1.27 3.10 0.06 5.22 0.40 0.12 -2.06 117.98 126.08 1sa1 s PHE 138 Ca 0.01 -0.22 -0.23 0.00 -0.60 0.00 0.00 56.93 55.89 1sa1 s PHE 138 Cb -0.16 -2.03 0.06 0.00 0.51 0.00 0.00 43.02 41.40 1sa1 s PHE 138 CO -0.09 -0.03 0.55 -3.38 0.70 0.00 0.00 175.22 172.97 1sa1 s HIS 139 N 0.55 -0.46 0.40 0.36 -3.43 -0.86 -2.92 115.29 108.94 1sa1 s HIS 139 Ca -0.00 0.51 -0.24 0.00 -0.80 0.00 0.00 55.06 54.53 1sa1 s HIS 139 Cb -0.14 0.38 -0.09 0.00 -1.43 0.00 0.00 32.58 31.31 1sa1 s HIS 139 CO 0.02 -0.68 1.03 -1.54 -2.00 0.00 0.00 174.74 171.57 1sa1 s SER 140 N -2.04 6.78 -0.07 7.38 1.04 -1.24 -1.98 113.70 123.56 1sa1 s SER 140 Ca -0.05 1.98 -0.16 0.00 0.48 0.00 0.00 55.95 58.21 1sa1 s SER 140 Cb -0.01 -2.58 -0.12 0.00 0.10 0.00 0.00 66.02 63.42 1sa1 s SER 140 CO -0.03 -0.47 0.59 0.15 0.98 0.00 0.00 173.24 174.46 1sa1 h PHE 141 N 2.42 -0.17 -2.60 5.02 -0.00 -1.39 -3.29 116.94 116.91 1sa1 h PHE 141 Ca -0.48 -0.00 -0.45 0.00 -0.00 0.00 0.00 57.97 57.03 1sa1 h PHE 141 Cb 1.21 0.06 0.03 0.00 -0.00 0.00 0.00 35.95 37.25 1sa1 h PHE 141 CO 0.58 0.19 -0.11 0.20 -0.00 0.00 0.00 178.31 179.17 1sa1 s GLY 142 N -3.42 1.61 0.00 2.40 0.00 -1.26 -3.39 107.32 103.26 1sa1 s GLY 142 Ca -0.09 -1.14 0.00 0.00 0.00 0.00 0.00 44.72 43.48 1sa1 s GLY 142 CO 0.34 -0.96 0.00 0.61 0.00 0.00 0.00 173.10 173.09 1sa1 n GLY 143 N -2.07 1.81 0.00 0.20 0.00 -1.26 -4.53 105.19 99.33 1sa1 n GLY 143 Ca 0.02 -1.30 0.00 0.00 0.00 0.00 0.00 46.02 44.74 1sa1 n GLY 143 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sa1 n GLY 144 N 2.67 -0.49 2.67 -0.02 0.00 -1.26 -0.84 105.19 107.91 1sa1 n GLY 144 Ca 0.00 0.11 -0.40 0.00 0.00 0.00 0.00 46.02 45.72 1sa1 n GLY 144 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1sa1 n THR 145 N -0.62 5.91 0.00 2.61 -2.24 -1.26 0.12 114.28 118.79 1sa1 n THR 145 Ca 0.00 -5.96 0.00 0.00 -2.27 0.00 0.00 64.05 55.82 1sa1 n THR 145 Cb 0.00 -1.55 0.00 0.00 -2.10 0.00 0.00 70.33 66.68 1sa1 n THR 145 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1sa1 n GLY 146 N -0.05 0.00 0.04 3.38 0.00 -1.17 -3.77 105.19 103.62 1sa1 n GLY 146 Ca 0.46 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.46 1sa1 n GLY 146 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1sa1 h SER 147 N 0.00 0.00 0.19 1.61 0.87 -0.96 -3.30 113.55 111.96 1sa1 h SER 147 Ca 0.00 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.55 1sa1 h SER 147 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 1sa1 h SER 147 CO 0.00 0.44 -0.09 1.23 -0.53 0.00 0.00 176.83 177.87 1sa1 h GLY 148 N -0.67 -0.27 1.03 5.77 0.00 -0.49 -3.26 103.07 105.17 1sa1 h GLY 148 Ca 0.00 0.10 -0.06 0.00 0.00 0.00 0.00 47.33 47.37 1sa1 h GLY 148 CO 0.00 -0.10 0.18 -2.75 0.00 0.00 0.00 176.54 173.87 1sa1 h PHE 149 N -0.28 1.07 -1.00 5.60 3.04 -1.78 -2.61 116.94 120.99 1sa1 h PHE 149 Ca -0.03 -0.12 0.11 0.00 3.98 0.00 0.00 57.97 61.91 1sa1 h PHE 149 Cb 0.20 -0.31 -0.13 0.00 2.56 0.00 0.00 35.95 38.27 1sa1 h PHE 149 CO 0.16 0.88 -0.53 2.41 -2.02 0.00 0.00 178.31 179.21 1sa1 n THR 150 N -4.32 -0.63 0.05 4.41 -1.04 -1.25 0.06 114.28 111.55 1sa1 n THR 150 Ca 0.04 2.39 -0.12 0.00 -2.04 0.00 0.00 64.05 64.32 1sa1 n THR 150 Cb 0.23 -3.01 -0.05 0.00 -1.82 0.00 0.00 70.33 65.68 1sa1 n THR 150 CO 0.00 0.00 0.00 -1.28 -0.64 0.00 0.00 175.07 173.15 1sa1 h SER 151 N 0.00 -0.94 -0.70 8.00 0.87 -1.51 -0.37 113.55 118.90 1sa1 h SER 151 Ca 0.22 0.13 0.14 0.00 -1.23 0.00 0.00 61.79 61.04 1sa1 h SER 151 Cb 0.46 0.38 -0.10 0.00 -0.44 0.00 0.00 62.40 62.71 1sa1 h SER 151 CO -0.95 -0.37 0.20 0.25 -0.53 0.00 0.00 176.83 175.42 1sa1 h LEU 152 N -0.45 0.08 0.03 2.23 5.85 -1.15 -0.34 115.31 121.56 1sa1 h LEU 152 Ca 0.07 0.13 0.03 0.00 0.84 0.00 0.00 57.88 58.94 1sa1 h LEU 152 Cb 0.55 0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.69 1sa1 h LEU 152 CO -0.28 0.02 -0.22 0.25 -0.34 0.00 0.00 178.44 177.87 1sa1 h LEU 153 N 0.31 -0.65 -1.61 2.25 7.12 0.10 -2.42 115.31 120.41 1sa1 h LEU 153 Ca 0.38 0.09 -0.02 0.00 0.13 0.00 0.00 57.88 58.47 1sa1 h LEU 153 Cb 0.61 0.26 -0.01 0.00 -0.53 0.00 0.00 40.66 40.99 1sa1 h LEU 153 CO -0.45 -0.30 0.08 0.24 -0.13 0.00 0.00 178.44 177.88 1sa1 h MET 154 N -0.37 0.32 0.53 1.25 2.86 -0.19 -0.49 114.93 118.84 1sa1 h MET 154 Ca 0.05 -0.04 -0.02 0.00 -2.06 0.00 0.00 59.70 57.63 1sa1 h MET 154 Cb 0.44 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 32.03 1sa1 h MET 154 CO -0.18 0.29 -0.30 0.93 1.06 0.00 0.00 176.91 178.71 1sa1 h GLU 155 N 0.33 -0.74 -0.64 1.72 4.39 -0.59 -2.90 114.58 116.15 1sa1 h GLU 155 Ca 0.08 0.05 0.05 0.00 0.34 0.00 0.00 59.36 59.89 1sa1 h GLU 155 Cb 0.10 0.17 -0.05 0.00 -0.10 0.00 0.00 28.75 28.87 1sa1 h GLU 155 CO -0.01 -0.49 0.35 -0.09 -1.16 0.00 0.00 179.01 177.62 1sa1 h ARG 156 N -0.76 0.64 -0.66 2.33 2.43 -1.25 -2.59 114.38 114.52 1sa1 h ARG 156 Ca -0.07 -0.04 0.12 0.00 -0.81 0.00 0.00 59.98 59.18 1sa1 h ARG 156 Cb 0.60 -0.14 -0.13 0.00 -0.42 0.00 0.00 29.97 29.88 1sa1 h ARG 156 CO 0.09 0.42 -0.27 -0.07 -1.51 0.00 0.00 179.97 178.63 1sa1 h LEU 157 N 0.66 -0.95 -2.27 3.80 3.38 -1.05 0.64 115.31 119.52 1sa1 h LEU 157 Ca 0.28 0.23 -0.01 0.00 0.09 0.00 0.00 57.88 58.47 1sa1 h LEU 157 Cb 0.16 0.53 -0.00 0.00 0.09 0.00 0.00 40.66 41.44 1sa1 h LEU 157 CO -0.17 -0.27 -0.04 0.28 0.09 0.00 0.00 178.44 178.33 1sa1 h SER 158 N -0.09 0.00 0.79 -0.43 0.02 -1.25 0.92 113.55 113.51 1sa1 h SER 158 Ca 0.29 0.00 -0.25 0.00 -0.84 0.00 0.00 61.79 60.99 1sa1 h SER 158 Cb 0.54 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.07 1sa1 h SER 158 CO -0.72 0.04 -1.15 0.58 -1.14 0.00 0.00 176.83 174.44 1sa1 h VAL 159 N 0.00 1.59 0.00 2.27 2.07 0.35 -3.34 116.25 119.19 1sa1 h VAL 159 Ca -0.00 -3.22 -0.02 0.00 0.82 0.00 0.00 66.70 64.28 1sa1 h VAL 159 Cb 0.22 2.90 -0.00 0.00 -1.52 0.00 0.00 31.29 32.89 1sa1 h VAL 159 CO 0.00 0.93 -1.28 0.47 0.02 0.00 0.00 177.57 177.72 1sa1 n ASP 160 N -3.45 0.66 -3.26 0.57 8.00 -0.45 -4.53 116.55 114.09 1sa1 n ASP 160 Ca -0.05 0.26 -0.25 0.00 0.71 0.00 0.00 54.79 55.46 1sa1 n ASP 160 Cb 0.99 0.76 -0.07 0.00 -0.02 0.00 0.00 41.12 42.78 1sa1 n ASP 160 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1sa1 n TYR 161 N -2.61 1.26 0.07 1.24 4.02 0.19 -5.03 117.16 116.30 1sa1 n TYR 161 Ca -0.02 -3.81 -0.13 0.00 -0.01 0.00 0.00 57.90 53.94 1sa1 n TYR 161 Cb 0.59 -0.43 -0.08 0.00 -0.02 0.00 0.00 39.34 39.40 1sa1 n TYR 161 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 176.86 176.63 1sa1 h GLY 162 N 3.93 -1.19 0.00 2.72 0.00 -1.80 -3.07 103.07 103.67 1sa1 h GLY 162 Ca 0.12 0.63 0.00 0.00 0.00 0.00 0.00 47.33 48.08 1sa1 h GLY 162 CO 0.61 -0.31 0.00 0.28 0.00 0.00 0.00 176.54 177.12 1sa1 n LYS 163 N -4.78 0.00 -0.96 4.80 4.01 -1.26 -4.85 118.16 115.11 1sa1 n LYS 163 Ca -0.06 0.43 -0.37 0.00 -0.51 0.00 0.00 58.31 57.80 1sa1 n LYS 163 Cb 0.31 -1.40 -0.05 0.00 -0.51 0.00 0.00 35.03 33.38 1sa1 n LYS 163 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 1sa1 n LYS 164 N -1.76 0.00 -2.74 1.97 4.76 -1.16 -4.90 118.16 114.33 1sa1 n LYS 164 Ca 0.00 0.00 -0.26 0.00 -2.87 0.00 0.00 58.31 55.18 1sa1 n LYS 164 Cb 0.00 -0.85 0.01 0.00 -1.84 0.00 0.00 35.03 32.35 1sa1 n LYS 164 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 1sa1 s SER 165 N 1.35 6.04 -0.02 4.39 1.04 -1.12 -4.90 113.70 120.49 1sa1 s SER 165 Ca 0.58 0.70 0.01 0.00 0.48 0.00 0.00 55.95 57.72 1sa1 s SER 165 Cb -0.82 -1.97 0.01 0.00 0.10 0.00 0.00 66.02 63.33 1sa1 s SER 165 CO 0.43 -0.67 -0.04 -0.54 0.98 0.00 0.00 173.24 173.40 1sa1 s LYS 166 N -4.71 0.46 -0.25 4.02 1.02 -1.26 -2.04 119.74 116.97 1sa1 s LYS 166 Ca 0.48 -0.12 -0.00 0.00 0.02 0.00 0.00 55.97 56.35 1sa1 s LYS 166 Cb -0.10 -0.48 0.07 0.00 -0.52 0.00 0.00 37.83 36.80 1sa1 s LYS 166 CO 0.43 0.03 0.00 -0.51 -0.92 0.00 0.00 175.35 174.38 1sa1 s LEU 167 N 0.27 2.41 0.05 3.17 1.02 -0.68 -0.59 118.68 124.33 1sa1 s LEU 167 Ca -0.03 -1.28 -0.24 0.00 0.02 0.00 0.00 54.13 52.61 1sa1 s LEU 167 Cb -0.06 -1.04 -0.06 0.00 0.02 0.00 0.00 46.19 45.05 1sa1 s LEU 167 CO -0.00 -0.30 0.71 -1.83 0.02 0.00 0.00 176.35 174.95 1sa1 s GLU 168 N 1.49 4.44 -0.46 1.70 -1.05 -1.04 -1.96 118.70 121.83 1sa1 s GLU 168 Ca -0.00 0.98 -0.09 0.00 -0.15 0.00 0.00 54.97 55.70 1sa1 s GLU 168 Cb -0.18 -3.34 0.11 0.00 -0.44 0.00 0.00 34.13 30.28 1sa1 s GLU 168 CO -0.10 0.37 0.32 -0.06 0.95 0.00 0.00 175.26 176.74 1sa1 s PHE 169 N -0.32 3.41 -0.04 4.83 0.40 -0.88 0.10 117.98 125.50 1sa1 s PHE 169 Ca 0.36 -1.82 -0.10 0.00 -0.60 0.00 0.00 56.93 54.76 1sa1 s PHE 169 Cb -0.20 -3.37 -0.05 0.00 0.51 0.00 0.00 43.02 39.91 1sa1 s PHE 169 CO 0.22 -0.96 0.29 -1.12 0.70 0.00 0.00 175.22 174.35 1sa1 s SER 170 N 2.52 6.60 -0.37 1.36 0.01 -0.57 -2.03 113.70 121.23 1sa1 s SER 170 Ca 0.05 0.72 -0.06 0.00 1.31 0.00 0.00 55.95 57.97 1sa1 s SER 170 Cb -0.25 -2.16 0.07 0.00 0.21 0.00 0.00 66.02 63.89 1sa1 s SER 170 CO -0.00 0.34 0.16 -0.63 0.41 0.00 0.00 173.24 173.51 1sa1 s ILE 171 N -1.11 3.68 -0.19 1.44 1.01 -0.84 -0.71 121.20 124.49 1sa1 s ILE 171 Ca 0.22 -1.47 -0.27 0.00 0.00 0.00 0.00 60.65 59.13 1sa1 s ILE 171 Cb -0.14 -3.24 -0.01 0.00 0.01 0.00 0.00 42.46 39.08 1sa1 s ILE 171 CO 0.11 -0.39 0.93 -0.47 0.00 0.00 0.00 174.94 175.12 1sa1 s TYR 172 N 1.33 3.40 0.19 3.97 6.14 -0.15 -1.17 117.35 131.04 1sa1 s TYR 172 Ca 0.01 1.37 -0.14 0.00 0.64 0.00 0.00 57.07 58.96 1sa1 s TYR 172 Cb -0.21 -3.13 -0.07 0.00 0.42 0.00 0.00 41.96 38.96 1sa1 s TYR 172 CO 0.00 -0.34 0.58 -1.25 0.64 0.00 0.00 175.55 175.19 1sa1 s PRO 173 N 2.55 3.96 -0.26 4.97 0.05 -1.26 -2.83 135.00 142.17 1sa1 s PRO 173 Ca 0.41 0.48 0.03 0.00 0.05 0.00 0.00 61.00 61.97 1sa1 s PRO 173 Cb -0.16 -2.81 0.06 0.00 0.05 0.00 0.00 34.50 31.64 1sa1 s PRO 173 CO 0.11 0.40 -0.10 0.00 0.05 0.00 0.00 177.00 177.46 1sa1 s ALA 174 N -1.61 2.52 0.02 8.56 0.00 -1.26 -4.90 121.76 125.08 1sa1 s ALA 174 Ca 0.42 -1.76 -0.00 0.00 0.00 0.00 0.00 51.96 50.62 1sa1 s ALA 174 Cb -0.14 -1.59 0.04 0.00 0.00 0.00 0.00 23.12 21.44 1sa1 s ALA 174 CO 0.20 -1.22 0.10 -2.30 0.00 0.00 0.00 175.76 172.53 1sa1 n PRO 175 N 4.45 -0.01 -0.06 0.00 -0.02 -1.26 -0.20 135.00 137.90 1sa1 n PRO 175 Ca -0.13 0.09 -0.08 0.00 -2.02 0.00 0.00 63.50 61.36 1sa1 n PRO 175 Cb 0.42 -0.15 -0.07 0.00 -0.02 0.00 0.00 33.50 33.68 1sa1 n PRO 175 CO 0.00 0.00 0.00 -0.56 1.98 0.00 0.00 175.50 176.92 1sa1 h GLN 176 N 0.00 0.00 -2.90 -0.52 -0.00 -2.02 -3.38 115.11 106.29 1sa1 h GLN 176 Ca 0.04 0.00 -0.81 0.00 -0.00 0.00 0.00 58.65 57.88 1sa1 h GLN 176 Cb 0.07 0.00 -0.27 0.00 -0.00 0.00 0.00 27.48 27.28 1sa1 h GLN 176 CO -0.06 0.54 0.88 0.28 -0.00 0.00 0.00 178.83 180.47 1sa1 n VAL 177 N -4.67 5.35 -4.40 1.86 0.31 0.72 -4.91 118.33 112.58 1sa1 n VAL 177 Ca -0.07 -5.86 -0.22 0.00 -0.01 0.00 0.00 64.34 58.19 1sa1 n VAL 177 Cb 0.28 -2.06 -0.07 0.00 -0.91 0.00 0.00 33.84 31.08 1sa1 n VAL 177 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1sa1 n SER 178 N 1.37 0.56 0.00 4.52 3.41 -1.13 -4.28 113.62 118.06 1sa1 n SER 178 Ca 0.28 -3.03 0.00 0.00 -0.26 0.00 0.00 58.87 55.86 1sa1 n SER 178 Cb 0.33 1.17 0.00 0.00 -0.26 0.00 0.00 64.21 65.45 1sa1 n SER 178 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1sa1 n THR 179 N -0.77 0.00 -3.98 6.66 -1.04 -1.26 -5.06 114.28 108.83 1sa1 n THR 179 Ca -0.01 0.00 -0.28 0.00 -2.04 0.00 0.00 64.05 61.72 1sa1 n THR 179 Cb 0.57 -0.22 -0.04 0.00 -1.82 0.00 0.00 70.33 68.82 1sa1 n THR 179 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1sa1 s ALA 180 N -3.38 3.83 0.26 2.41 0.00 -1.26 -5.00 121.76 118.62 1sa1 s ALA 180 Ca 0.00 -1.02 -0.08 0.00 0.00 0.00 0.00 51.96 50.86 1sa1 s ALA 180 Cb 0.00 -1.65 0.44 0.00 0.00 0.00 0.00 23.12 21.91 1sa1 s ALA 180 CO 0.00 0.64 1.59 0.28 0.00 0.00 0.00 175.76 178.28 1sa1 h VAL 181 N 1.99 0.16 0.00 0.00 2.07 -2.00 -2.25 116.25 116.23 1sa1 h VAL 181 Ca -0.47 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.04 1sa1 h VAL 181 Cb 1.18 0.14 0.00 0.00 -1.52 0.00 0.00 31.29 31.09 1sa1 h VAL 181 CO 0.69 0.00 0.00 1.33 0.02 0.00 0.00 177.57 179.61 1sa1 n VAL 182 N -5.51 0.07 -0.32 2.57 0.24 -1.26 -4.28 118.33 109.85 1sa1 n VAL 182 Ca 0.14 0.02 -0.01 0.00 -2.04 0.00 0.00 64.34 62.45 1sa1 n VAL 182 Cb 0.49 -0.68 0.05 0.00 -1.47 0.00 0.00 33.84 32.23 1sa1 n VAL 182 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 1sa1 h GLU 183 N 0.00 -0.05 -0.16 7.34 3.07 -1.77 -1.88 114.58 121.13 1sa1 h GLU 183 Ca 0.00 0.00 0.02 0.00 -0.50 0.00 0.00 59.36 58.89 1sa1 h GLU 183 Cb 0.04 0.01 -0.05 0.00 -0.84 0.00 0.00 28.75 27.91 1sa1 h GLU 183 CO 0.00 -0.03 -0.37 -1.35 -1.40 0.00 0.00 179.01 175.86 1sa1 h PRO 184 N -0.05 -0.33 -0.99 2.33 0.11 -1.86 -0.15 132.00 131.06 1sa1 h PRO 184 Ca 0.33 0.02 0.34 0.00 0.11 0.00 0.00 66.00 66.80 1sa1 h PRO 184 Cb 0.60 0.08 -0.18 0.00 0.11 0.00 0.00 31.00 31.60 1sa1 h PRO 184 CO -0.88 -0.22 0.25 0.66 -0.21 0.00 0.00 178.00 177.60 1sa1 n TYR 185 N -4.48 0.86 -0.07 0.65 0.53 -0.74 -1.16 117.16 112.76 1sa1 n TYR 185 Ca -0.03 1.18 -0.13 0.00 -1.02 0.00 0.00 57.90 57.90 1sa1 n TYR 185 Cb 0.24 -1.39 -0.06 0.00 -1.03 0.00 0.00 39.34 37.11 1sa1 n TYR 185 CO 0.00 0.00 0.00 -0.91 -1.02 0.00 0.00 176.86 174.93 1sa1 h ASN 186 N 0.00 0.47 0.41 7.72 2.35 -0.71 -0.54 115.58 125.29 1sa1 h ASN 186 Ca 0.71 -0.46 -0.02 0.00 -0.55 0.00 0.00 56.30 55.98 1sa1 h ASN 186 Cb 1.67 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 39.92 1sa1 h ASN 186 CO -0.85 0.83 -0.20 0.28 -1.65 0.00 0.00 177.43 175.84 1sa1 h SER 187 N 0.11 -0.47 -1.07 5.81 0.02 0.23 0.96 113.55 119.15 1sa1 h SER 187 Ca 0.03 0.02 0.38 0.00 -0.84 0.00 0.00 61.79 61.38 1sa1 h SER 187 Cb 0.68 0.12 -0.16 0.00 0.14 0.00 0.00 62.40 63.19 1sa1 h SER 187 CO 0.04 -0.28 0.62 0.40 -1.14 0.00 0.00 176.83 176.47 1sa1 h ILE 188 N -0.66 0.15 0.60 3.27 1.08 -1.42 0.85 117.51 121.38 1sa1 h ILE 188 Ca -0.06 -0.05 -0.03 0.00 -0.39 0.00 0.00 64.86 64.33 1sa1 h ILE 188 Cb 0.43 -0.01 0.01 0.00 -3.07 0.00 0.00 36.82 34.17 1sa1 h ILE 188 CO 0.09 0.03 -0.29 -0.07 -0.69 0.00 0.00 178.15 177.22 1sa1 h LEU 189 N 0.15 -0.69 0.45 1.44 3.38 -0.94 -2.86 115.31 116.24 1sa1 h LEU 189 Ca 0.80 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.78 1sa1 h LEU 189 Cb 2.09 0.18 -0.02 0.00 0.09 0.00 0.00 40.66 43.00 1sa1 h LEU 189 CO -0.63 -0.37 -0.41 0.74 0.09 0.00 0.00 178.44 177.86 1sa1 h THR 190 N -1.05 0.17 -0.00 0.22 2.02 0.20 -2.86 112.91 111.61 1sa1 h THR 190 Ca -0.08 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.10 1sa1 h THR 190 Cb 0.62 0.17 -0.00 0.00 -1.74 0.00 0.00 68.15 67.21 1sa1 h THR 190 CO 0.14 0.00 0.02 0.00 0.37 0.00 0.00 175.52 176.04 1sa1 h THR 191 N -0.86 0.01 0.51 3.16 1.03 0.43 0.62 112.91 117.80 1sa1 h THR 191 Ca -0.04 0.00 -0.03 0.00 -0.01 0.00 0.00 66.41 66.33 1sa1 h THR 191 Cb 0.76 0.98 0.01 0.00 -1.07 0.00 0.00 68.15 68.82 1sa1 h THR 191 CO -0.04 0.00 -0.25 -0.74 -0.01 0.00 0.00 175.52 174.48 1sa1 h HIS 192 N 0.00 -0.64 -0.11 0.00 6.17 -1.27 -2.53 115.15 116.77 1sa1 h HIS 192 Ca 0.00 -0.02 -0.02 0.00 0.71 0.00 0.00 60.37 61.05 1sa1 h HIS 192 Cb 0.03 0.21 -0.00 0.00 2.52 0.00 0.00 27.41 30.17 1sa1 h HIS 192 CO 0.00 -0.32 -0.01 1.15 0.71 0.00 0.00 177.93 179.46 1sa1 h THR 193 N -1.05 1.27 -0.84 6.26 2.02 -0.38 -3.16 112.91 117.03 1sa1 h THR 193 Ca -0.07 -0.86 0.07 0.00 0.77 0.00 0.00 66.41 66.32 1sa1 h THR 193 Cb 0.61 1.63 -0.06 0.00 -1.74 0.00 0.00 68.15 68.58 1sa1 h THR 193 CO 0.12 0.25 0.51 0.00 0.37 0.00 0.00 175.52 176.76 1sa1 h THR 194 N -0.10 1.00 -0.61 3.16 1.03 -0.11 -3.23 112.91 114.05 1sa1 h THR 194 Ca 0.03 -0.31 0.12 0.00 -0.01 0.00 0.00 66.41 66.24 1sa1 h THR 194 Cb 0.38 0.01 -0.04 0.00 -1.07 0.00 0.00 68.15 67.44 1sa1 h THR 194 CO 0.01 0.17 0.42 0.25 -0.01 0.00 0.00 175.52 176.35 1sa1 h LEU 195 N 0.91 0.30 0.00 0.00 6.46 -1.41 -1.47 115.31 120.10 1sa1 h LEU 195 Ca 0.38 0.01 0.00 0.00 -0.12 0.00 0.00 57.88 58.15 1sa1 h LEU 195 Cb 0.22 -0.05 0.00 0.00 -0.73 0.00 0.00 40.66 40.10 1sa1 h LEU 195 CO -0.19 0.17 0.00 -1.84 -0.62 0.00 0.00 178.44 175.96 1sa1 n GLU 196 N -4.46 0.35 -0.00 1.25 0.28 -1.22 -3.70 120.64 113.14 1sa1 n GLU 196 Ca 0.11 0.05 0.02 0.00 -0.16 0.00 0.00 57.16 57.17 1sa1 n GLU 196 Cb 0.45 -1.50 -0.03 0.00 1.43 0.00 0.00 31.44 31.79 1sa1 n GLU 196 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69 1sa1 n HIS 197 N -1.29 0.00 -4.08 -1.84 8.25 -0.57 -5.01 115.22 110.68 1sa1 n HIS 197 Ca 0.12 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.23 1sa1 n HIS 197 Cb 0.21 -0.03 -0.07 0.00 1.12 0.00 0.00 29.99 31.22 1sa1 n HIS 197 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1sa1 s SER 198 N -1.70 5.86 0.09 0.41 1.04 -1.15 -4.77 113.70 113.49 1sa1 s SER 198 Ca 0.01 0.27 0.23 0.00 0.48 0.00 0.00 55.95 56.94 1sa1 s SER 198 Cb 0.03 -1.77 0.07 0.00 0.10 0.00 0.00 66.02 64.45 1sa1 s SER 198 CO 0.17 0.34 1.05 0.47 0.98 0.00 0.00 173.24 176.26 1sa1 n ASP 199 N 1.67 0.63 0.00 7.02 9.92 0.24 -4.54 116.55 131.49 1sa1 n ASP 199 Ca -0.17 -0.02 0.00 0.00 -0.53 0.00 0.00 54.79 54.07 1sa1 n ASP 199 Cb 0.54 0.68 0.00 0.00 -0.64 0.00 0.00 41.12 41.70 1sa1 n ASP 199 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1sa1 s ALA 201 N -1.94 -0.67 -0.69 0.00 0.00 -1.16 -2.49 121.76 114.81 1sa1 s ALA 201 Ca 0.00 1.10 -0.18 0.00 0.00 0.00 0.00 51.96 52.88 1sa1 s ALA 201 Cb 0.00 -0.78 0.12 0.00 0.00 0.00 0.00 23.12 22.46 1sa1 s ALA 201 CO 0.00 -0.31 0.80 -0.06 0.00 0.00 0.00 175.76 176.19 1sa1 s PHE 202 N 1.55 3.12 0.35 0.00 2.99 0.29 -3.56 117.98 122.72 1sa1 s PHE 202 Ca -0.07 -1.18 -0.28 0.00 0.00 0.00 0.00 56.93 55.41 1sa1 s PHE 202 Cb -0.10 -4.05 -0.10 0.00 0.00 0.00 0.00 43.02 38.77 1sa1 s PHE 202 CO -0.09 -1.30 1.27 1.41 -0.00 0.00 0.00 175.22 176.51 1sa1 s MET 203 N 2.36 4.24 -0.13 0.44 1.75 -1.26 -1.51 119.30 125.20 1sa1 s MET 203 Ca 0.17 2.13 -0.02 0.00 -1.25 0.00 0.00 55.69 56.71 1sa1 s MET 203 Cb -0.18 -2.95 0.04 0.00 2.84 0.00 0.00 34.83 34.57 1sa1 s MET 203 CO 0.01 -0.25 0.01 0.08 -0.65 0.00 0.00 175.02 174.23 1sa1 s VAL 204 N -1.21 0.48 -0.19 10.11 1.01 0.12 -4.75 120.40 125.97 1sa1 s VAL 204 Ca 0.52 -0.20 -0.09 0.00 0.00 0.00 0.00 61.98 62.20 1sa1 s VAL 204 Cb -0.38 -0.78 -0.05 0.00 0.00 0.00 0.00 36.38 35.17 1sa1 s VAL 204 CO 0.49 0.06 0.11 -0.62 0.00 0.00 0.00 175.10 175.14 1sa1 s ASP 205 N 1.91 6.04 0.03 3.32 -1.08 -0.03 -0.98 116.67 125.88 1sa1 s ASP 205 Ca 0.02 0.20 -0.22 0.00 -0.52 0.00 0.00 52.55 52.04 1sa1 s ASP 205 Cb -0.14 -2.04 -0.15 0.00 -1.46 0.00 0.00 42.92 39.12 1sa1 s ASP 205 CO -0.07 0.20 1.35 0.78 0.52 0.00 0.00 175.17 177.95 1sa1 h ASN 206 N 6.54 0.28 0.00 -0.34 -0.26 -1.81 -0.87 115.58 119.11 1sa1 h ASN 206 Ca -0.41 -0.46 0.00 0.00 -0.56 0.00 0.00 56.30 54.87 1sa1 h ASN 206 Cb 1.16 -0.08 0.00 0.00 -1.06 0.00 0.00 38.32 38.34 1sa1 h ASN 206 CO 0.73 0.68 0.25 1.21 -1.06 0.00 0.00 177.43 179.23 1sa1 n GLU 207 N -4.65 0.00 -0.12 0.81 2.13 -1.26 0.13 120.64 117.67 1sa1 n GLU 207 Ca -0.07 0.18 -0.19 0.00 0.66 0.00 0.00 57.16 57.75 1sa1 n GLU 207 Cb 0.32 -1.75 -0.11 0.00 0.27 0.00 0.00 31.44 30.17 1sa1 n GLU 207 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1sa1 n ALA 208 N -1.14 1.46 0.12 4.31 0.00 -0.37 -3.45 120.51 121.45 1sa1 n ALA 208 Ca 0.00 -1.01 -0.13 0.00 0.00 0.00 0.00 53.44 52.29 1sa1 n ALA 208 Cb 0.25 -0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.61 1sa1 n ALA 208 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1sa1 h ILE 209 N -0.18 0.82 -0.31 0.00 1.08 -0.01 0.67 117.51 119.57 1sa1 h ILE 209 Ca -0.55 -0.61 0.07 0.00 -0.39 0.00 0.00 64.86 63.37 1sa1 h ILE 209 Cb 1.77 1.16 -0.07 0.00 -3.07 0.00 0.00 36.82 36.61 1sa1 h ILE 209 CO -0.14 0.13 -0.15 0.22 -0.69 0.00 0.00 178.15 177.52 1sa1 h TYR 210 N -0.65 -0.36 -0.08 1.37 5.03 0.78 0.33 116.97 123.39 1sa1 h TYR 210 Ca -0.03 0.03 0.02 0.00 2.58 0.00 0.00 58.73 61.33 1sa1 h TYR 210 Cb 0.46 0.21 -0.00 0.00 1.55 0.00 0.00 36.73 38.94 1sa1 h TYR 210 CO 0.02 -0.22 0.06 -0.44 -1.32 0.00 0.00 178.16 176.26 1sa1 h ASP 211 N -0.10 0.01 -0.35 -2.11 3.32 -1.55 -0.83 116.42 114.81 1sa1 h ASP 211 Ca 0.16 -0.00 -0.15 0.00 0.02 0.00 0.00 57.03 57.07 1sa1 h ASP 211 Cb 0.34 -0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.89 1sa1 h ASP 211 CO -0.38 0.01 -0.35 0.40 -1.72 0.00 0.00 179.24 177.20 1sa1 h ILE 212 N 0.01 1.28 0.00 0.35 2.04 0.20 -3.13 117.51 118.27 1sa1 h ILE 212 Ca 0.04 -1.52 -0.02 0.00 1.00 0.00 0.00 64.86 64.35 1sa1 h ILE 212 Cb 0.13 1.45 -0.01 0.00 -0.74 0.00 0.00 36.82 37.65 1sa1 h ILE 212 CO -0.00 0.50 -0.01 0.00 0.00 0.00 0.00 178.15 178.65 1sa1 n ARG 214 N 1.89 0.00 0.15 0.00 1.74 -1.20 -3.11 116.66 116.12 1sa1 n ARG 214 Ca 0.05 0.00 0.02 0.00 -0.77 0.00 0.00 57.85 57.14 1sa1 n ARG 214 Cb 0.34 0.00 0.19 0.00 -1.02 0.00 0.00 32.46 31.97 1sa1 n ARG 214 CO 0.00 0.00 0.00 -0.09 -1.52 0.00 0.00 177.63 176.02 1sa1 h ARG 215 N 0.00 0.00 0.00 5.56 2.43 -1.30 -3.10 114.38 117.97 1sa1 h ARG 215 Ca 0.00 0.00 -0.16 0.00 -0.81 0.00 0.00 59.98 59.01 1sa1 h ARG 215 Cb 0.00 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.53 1sa1 h ARG 215 CO 0.00 0.54 -1.49 0.09 -1.51 0.00 0.00 179.97 177.60 1sa1 n ASN 216 N -3.54 0.75 -0.11 -3.80 3.02 0.14 -4.61 115.26 107.11 1sa1 n ASN 216 Ca -0.00 0.13 0.12 0.00 -0.03 0.00 0.00 54.58 54.80 1sa1 n ASN 216 Cb 0.63 -0.31 0.32 0.00 -0.61 0.00 0.00 39.78 39.81 1sa1 n ASN 216 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1sa1 n LEU 217 N -3.47 0.71 -3.83 3.41 4.32 -1.22 -4.21 117.00 112.72 1sa1 n LEU 217 Ca -0.19 -0.10 -0.33 0.00 -0.02 0.00 0.00 56.01 55.36 1sa1 n LEU 217 Cb 0.61 -0.20 0.02 0.00 -1.62 0.00 0.00 43.42 42.23 1sa1 n LEU 217 CO 0.01 0.15 -0.13 -0.67 -1.22 0.00 0.00 177.39 175.53 1sa1 n ASP 218 N -1.12 -4.91 -4.06 -1.43 2.03 -1.17 -4.85 116.55 101.04 1sa1 n ASP 218 Ca 0.09 -1.05 -0.28 0.00 0.52 0.00 0.00 54.79 54.07 1sa1 n ASP 218 Cb 0.34 -2.34 -0.17 0.00 -0.72 0.00 0.00 41.12 38.23 1sa1 n ASP 218 CO 0.00 0.00 0.00 0.27 -1.92 0.00 0.00 177.20 175.55 1sa1 s ILE 219 N -3.32 1.44 -1.45 5.18 -5.25 -1.18 -4.97 121.20 111.65 1sa1 s ILE 219 Ca 0.31 -0.62 0.00 0.00 -0.99 0.00 0.00 60.65 59.35 1sa1 s ILE 219 Cb -0.15 -1.31 0.00 0.00 2.95 0.00 0.00 42.46 43.95 1sa1 s ILE 219 CO 0.91 0.43 0.42 1.21 -1.79 0.00 0.00 174.94 176.11 1sa1 n GLU 220 N 4.06 0.58 -0.02 0.37 2.13 -1.26 -4.12 120.64 122.38 1sa1 n GLU 220 Ca -0.20 0.00 -0.02 0.00 0.66 0.00 0.00 57.16 57.60 1sa1 n GLU 220 Cb 0.51 -1.16 -0.03 0.00 0.27 0.00 0.00 31.44 31.04 1sa1 n GLU 220 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 1sa1 n ARG 221 N -0.11 3.32 0.00 5.31 5.12 -1.26 -5.09 116.66 123.95 1sa1 n ARG 221 Ca 0.00 -0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 1sa1 n ARG 221 Cb 0.08 -1.10 0.00 0.00 -1.16 0.00 0.00 32.46 30.28 1sa1 n ARG 221 CO 0.00 0.00 0.00 -2.30 -1.93 0.00 0.00 177.63 173.40 1sa1 n PRO 222 N -2.13 0.00 -2.79 5.56 -0.01 -1.26 -4.95 135.00 129.42 1sa1 n PRO 222 Ca -0.06 0.00 -0.36 0.00 -0.01 0.00 0.00 63.50 63.07 1sa1 n PRO 222 Cb 0.61 0.00 -0.07 0.00 -0.01 0.00 0.00 33.50 34.04 1sa1 n PRO 222 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 175.50 176.48 1sa1 s THR 223 N 0.00 4.26 0.15 3.45 2.01 -1.26 -4.92 115.64 119.34 1sa1 s THR 223 Ca 0.00 1.73 -0.27 0.00 0.31 0.00 0.00 61.69 63.45 1sa1 s THR 223 Cb 0.00 -3.89 -0.01 0.00 0.01 0.00 0.00 72.50 68.61 1sa1 s THR 223 CO 0.00 0.01 1.57 1.88 -0.69 0.00 0.00 174.62 177.39 1sa1 h TYR 224 N 2.81 -1.27 -0.64 4.92 0.99 -2.00 0.47 116.97 122.26 1sa1 h TYR 224 Ca -0.47 0.07 0.12 0.00 2.00 0.00 0.00 58.73 60.45 1sa1 h TYR 224 Cb 1.19 0.61 -0.12 0.00 1.00 0.00 0.00 36.73 39.41 1sa1 h TYR 224 CO 0.62 -0.44 -0.26 1.79 -0.00 0.00 0.00 178.16 179.86 1sa1 h THR 225 N -0.33 0.23 -0.81 -2.88 1.35 -1.99 -0.49 112.91 107.98 1sa1 h THR 225 Ca 0.13 0.00 0.14 0.00 -0.55 0.00 0.00 66.41 66.14 1sa1 h THR 225 Cb 0.59 0.23 -0.15 0.00 -1.73 0.00 0.00 68.15 67.09 1sa1 h THR 225 CO -0.57 0.00 -0.31 0.78 -0.25 0.00 0.00 175.52 175.17 1sa1 h ASN 226 N -0.09 -1.11 0.12 5.36 -0.26 -0.49 0.27 115.58 119.37 1sa1 h ASN 226 Ca 0.28 0.26 -0.01 0.00 -0.56 0.00 0.00 56.30 56.28 1sa1 h ASN 226 Cb 0.53 0.62 0.00 0.00 -1.06 0.00 0.00 38.32 38.41 1sa1 h ASN 226 CO -0.70 -0.29 -0.06 -0.07 -1.06 0.00 0.00 177.43 175.26 1sa1 h LEU 227 N -0.05 -0.13 0.06 1.61 -0.00 -0.11 -3.22 115.31 113.46 1sa1 h LEU 227 Ca 0.33 -0.03 0.03 0.00 -0.00 0.00 0.00 57.88 58.20 1sa1 h LEU 227 Cb 0.59 0.03 -0.05 0.00 -0.00 0.00 0.00 40.66 41.24 1sa1 h LEU 227 CO -0.85 -0.05 -0.41 0.78 -0.00 0.00 0.00 178.44 177.91 1sa1 h ASN 228 N -0.20 -1.23 -1.02 -0.43 2.35 0.10 -0.30 115.58 114.86 1sa1 h ASN 228 Ca -0.02 0.14 0.28 0.00 -0.55 0.00 0.00 56.30 56.16 1sa1 h ASN 228 Cb 0.16 0.47 -0.05 0.00 0.05 0.00 0.00 38.32 38.95 1sa1 h ASN 228 CO 0.03 -0.47 0.71 0.03 -1.65 0.00 0.00 177.43 176.08 1sa1 h ARG 229 N -0.60 0.11 0.12 0.81 3.08 -1.34 0.95 114.38 117.52 1sa1 h ARG 229 Ca 0.04 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.07 1sa1 h ARG 229 Cb 0.66 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.68 1sa1 h ARG 229 CO -0.28 0.07 -0.06 1.25 -1.07 0.00 0.00 179.97 179.89 1sa1 h LEU 230 N 0.11 -0.14 -0.58 3.04 5.85 -1.09 0.23 115.31 122.73 1sa1 h LEU 230 Ca 0.51 -0.34 0.05 0.00 0.84 0.00 0.00 57.88 58.94 1sa1 h LEU 230 Cb 1.80 0.04 -0.05 0.00 0.37 0.00 0.00 40.66 42.82 1sa1 h LEU 230 CO -0.08 0.29 0.30 0.40 -0.34 0.00 0.00 178.44 179.02 1sa1 h ILE 231 N -0.61 0.95 -0.65 4.05 1.08 -0.10 -1.87 117.51 120.36 1sa1 h ILE 231 Ca -0.02 -0.20 0.12 0.00 -0.39 0.00 0.00 64.86 64.38 1sa1 h ILE 231 Cb 0.47 0.33 -0.12 0.00 -3.07 0.00 0.00 36.82 34.43 1sa1 h ILE 231 CO 0.03 0.11 -0.27 1.23 -0.69 0.00 0.00 178.15 178.56 1sa1 h GLY 232 N 0.58 0.17 0.69 5.37 0.00 0.97 0.89 103.07 111.74 1sa1 h GLY 232 Ca 0.26 0.35 -0.02 0.00 0.00 0.00 0.00 47.33 47.91 1sa1 h GLY 232 CO -0.17 -0.24 -0.48 -1.61 0.00 0.00 0.00 176.54 174.04 1sa1 h GLN 233 N -0.09 -1.03 -0.37 4.80 5.75 0.25 -1.03 115.11 123.39 1sa1 h GLN 233 Ca 0.28 0.07 0.06 0.00 -0.15 0.00 0.00 58.65 58.92 1sa1 h GLN 233 Cb 0.54 0.23 -0.09 0.00 1.07 0.00 0.00 27.48 29.24 1sa1 h GLN 233 CO -0.71 -0.69 -0.45 0.82 -2.65 0.00 0.00 178.83 175.16 1sa1 h ILE 234 N -1.07 0.10 -0.86 2.39 5.03 -0.55 0.00 117.51 122.55 1sa1 h ILE 234 Ca -0.08 0.00 0.18 0.00 -0.12 0.00 0.00 64.86 64.84 1sa1 h ILE 234 Cb 0.89 0.10 -0.16 0.00 -3.03 0.00 0.00 36.82 34.62 1sa1 h ILE 234 CO 0.02 0.00 -0.19 0.58 -0.68 0.00 0.00 178.15 177.88 1sa1 h VAL 235 N -0.36 0.14 -0.19 1.67 2.07 -0.83 0.90 116.25 119.65 1sa1 h VAL 235 Ca 0.12 -0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.67 1sa1 h VAL 235 Cb 0.59 0.14 -0.07 0.00 -1.52 0.00 0.00 31.29 30.43 1sa1 h VAL 235 CO -0.56 0.00 -0.54 -1.28 0.02 0.00 0.00 177.57 175.22 1sa1 h SER 236 N 0.01 -1.73 -0.22 0.57 0.87 0.34 0.46 113.55 113.84 1sa1 h SER 236 Ca 0.42 0.21 -0.00 0.00 -1.23 0.00 0.00 61.79 61.19 1sa1 h SER 236 Cb 0.66 0.68 -0.01 0.00 -0.44 0.00 0.00 62.40 63.29 1sa1 h SER 236 CO -0.88 -0.46 0.13 0.28 -0.53 0.00 0.00 176.83 175.38 1sa1 h SER 237 N -0.54 0.28 0.16 6.23 0.02 0.18 -2.50 113.55 117.39 1sa1 h SER 237 Ca 0.04 -0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 60.97 1sa1 h SER 237 Cb 0.65 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.12 1sa1 h SER 237 CO -0.46 0.23 -0.08 0.40 -1.14 0.00 0.00 176.83 175.77 1sa1 h ILE 238 N 0.33 0.93 0.00 3.27 1.08 0.57 -3.40 117.51 120.28 1sa1 h ILE 238 Ca 0.09 -0.42 0.00 0.00 -0.39 0.00 0.00 64.86 64.14 1sa1 h ILE 238 Cb 0.01 1.18 0.00 0.00 -3.07 0.00 0.00 36.82 34.94 1sa1 h ILE 238 CO -0.02 0.10 0.00 0.35 -0.69 0.00 0.00 178.15 177.89 1sa1 n THR 239 N -5.10 0.00 0.00 -0.27 -2.24 0.08 -4.53 114.28 102.23 1sa1 n THR 239 Ca -0.09 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.69 1sa1 n THR 239 Cb 0.18 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.41 1sa1 n THR 239 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1sa1 n ALA 240 N -3.00 0.00 -0.35 6.98 0.00 -1.25 -4.09 120.51 118.80 1sa1 n ALA 240 Ca 0.00 0.00 0.27 0.00 0.00 0.00 0.00 53.44 53.71 1sa1 n ALA 240 Cb 0.00 0.00 0.56 0.00 0.00 0.00 0.00 19.45 20.01 1sa1 n ALA 240 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1sa1 h SER 241 N 0.00 0.36 -0.16 0.00 4.64 -1.79 -2.45 113.55 114.15 1sa1 h SER 241 Ca 0.00 0.09 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 1sa1 h SER 241 Cb 0.00 0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 1sa1 h SER 241 CO 0.00 0.02 0.00 0.00 -0.87 0.00 0.00 176.83 175.98 1sa1 n LEU 242 N -4.61 2.42 -0.00 5.97 -0.00 -1.26 -1.92 117.00 117.60 1sa1 n LEU 242 Ca 0.28 -1.38 0.09 0.00 -0.00 0.00 0.00 56.01 55.01 1sa1 n LEU 242 Cb 1.04 -0.10 -0.12 0.00 -0.00 0.00 0.00 43.42 44.24 1sa1 n LEU 242 CO 0.25 0.52 -0.19 -2.11 -0.00 0.00 0.00 177.39 175.87 1sa1 n ARG 243 N 0.68 0.62 -0.01 1.47 1.85 -1.14 -4.49 116.66 115.65 1sa1 n ARG 243 Ca 0.09 -0.04 0.04 0.00 -1.00 0.00 0.00 57.85 56.95 1sa1 n ARG 243 Cb 0.36 -1.42 -0.07 0.00 -1.05 0.00 0.00 32.46 30.28 1sa1 n ARG 243 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 1sa1 n PHE 244 N -1.60 0.00 -2.60 2.89 3.01 -0.94 -3.97 117.46 114.24 1sa1 n PHE 244 Ca 0.02 0.00 -0.03 0.00 1.01 0.00 0.00 57.45 58.45 1sa1 n PHE 244 Cb 0.34 -0.21 -0.03 0.00 -0.01 0.00 0.00 39.48 39.58 1sa1 n PHE 244 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 1sa1 n ASP 245 N -1.82 -3.58 -3.28 4.37 2.03 -0.81 -5.01 116.55 108.45 1sa1 n ASP 245 Ca -0.02 1.36 0.03 0.00 0.52 0.00 0.00 54.79 56.68 1sa1 n ASP 245 Cb 0.25 -4.27 -0.02 0.00 -0.72 0.00 0.00 41.12 36.35 1sa1 n ASP 245 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 1sa1 s GLY 246 N -0.47 -0.69 0.00 0.27 0.00 -1.14 -5.04 107.32 100.25 1sa1 s GLY 246 Ca -0.16 2.32 0.00 0.00 0.00 0.00 0.00 44.72 46.88 1sa1 s GLY 246 CO 0.42 3.40 0.00 0.00 0.00 0.00 0.00 173.10 176.92 1sa1 n ALA 247 N 5.38 0.00 -2.47 3.20 0.00 -1.26 -4.59 120.51 120.77 1sa1 n ALA 247 Ca -0.06 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.32 1sa1 n ALA 247 Cb 0.51 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.95 1sa1 n ALA 247 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 1sa1 n LEU 248 N 0.00 -0.13 -0.02 0.00 -0.00 -1.26 -4.34 117.00 111.26 1sa1 n LEU 248 Ca 0.00 0.14 0.00 0.00 -0.00 0.00 0.00 56.01 56.15 1sa1 n LEU 248 Cb 0.00 -0.90 0.00 0.00 -0.00 0.00 0.00 43.42 42.52 1sa1 n LEU 248 CO 0.00 0.02 0.00 -0.46 -0.00 0.00 0.00 177.39 176.95 1sa1 n ASN 249 N -1.34 -0.05 -3.23 1.45 6.94 -1.26 -4.86 115.26 112.91 1sa1 n ASN 249 Ca 0.02 0.00 0.03 0.00 -0.02 0.00 0.00 54.58 54.61 1sa1 n ASN 249 Cb 0.40 -0.03 -0.02 0.00 -2.36 0.00 0.00 39.78 37.78 1sa1 n ASN 249 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 1sa1 s VAL 250 N 0.00 -0.83 0.00 3.53 0.11 -1.26 -4.21 120.40 117.74 1sa1 s VAL 250 Ca 0.00 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.05 1sa1 s VAL 250 Cb 0.00 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.85 1sa1 s VAL 250 CO 0.00 0.00 0.00 -0.67 -3.33 0.00 0.00 175.10 171.10 1sa1 n ASP 251 N 5.41 0.00 -0.08 3.54 2.03 -1.26 -4.87 116.55 121.31 1sa1 n ASP 251 Ca -0.04 0.00 -0.12 0.00 0.52 0.00 0.00 54.79 55.15 1sa1 n ASP 251 Cb 0.51 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 40.87 1sa1 n ASP 251 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 1sa1 h LEU 252 N 0.00 0.46 -1.07 -2.67 3.38 -1.97 -1.84 115.31 111.60 1sa1 h LEU 252 Ca 0.00 -0.35 0.12 0.00 0.09 0.00 0.00 57.88 57.74 1sa1 h LEU 252 Cb 0.00 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 1sa1 h LEU 252 CO 0.00 0.70 0.85 0.74 0.09 0.00 0.00 178.44 180.82 1sa1 h THR 253 N 0.22 0.07 0.00 0.22 2.02 -1.93 1.86 112.91 115.36 1sa1 h THR 253 Ca 0.07 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.25 1sa1 h THR 253 Cb 0.49 0.24 0.00 0.00 -1.74 0.00 0.00 68.15 67.14 1sa1 h THR 253 CO 0.02 0.00 0.00 -0.62 0.37 0.00 0.00 175.52 175.29 1sa1 n GLU 254 N -3.03 0.27 0.04 6.66 1.02 -0.69 -1.67 120.64 123.25 1sa1 n GLU 254 Ca 0.08 0.05 -0.20 0.00 -0.02 0.00 0.00 57.16 57.08 1sa1 n GLU 254 Cb 0.99 -1.50 -0.14 0.00 -0.02 0.00 0.00 31.44 30.76 1sa1 n GLU 254 CO 0.00 0.00 0.00 0.74 1.18 0.00 0.00 177.13 179.05 1sa1 h PHE 255 N 0.00 0.53 0.01 -0.32 0.04 0.28 -0.60 116.94 116.88 1sa1 h PHE 255 Ca 0.00 -0.39 -0.03 0.00 2.80 0.00 0.00 57.97 60.35 1sa1 h PHE 255 Cb 0.28 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 38.42 1sa1 h PHE 255 CO 0.00 1.58 -0.12 -0.56 -0.60 0.00 0.00 178.31 178.61 1sa1 h GLN 256 N 0.08 0.05 -0.73 1.51 3.07 -1.64 -3.13 115.11 114.32 1sa1 h GLN 256 Ca -0.34 -0.08 0.16 0.00 0.09 0.00 0.00 58.65 58.48 1sa1 h GLN 256 Cb 2.06 0.03 -0.13 0.00 0.08 0.00 0.00 27.48 29.51 1sa1 h GLN 256 CO 0.14 0.96 -0.07 1.15 0.09 0.00 0.00 178.83 181.10 1sa1 h THR 257 N -0.81 0.32 -0.01 1.86 2.02 -1.43 0.39 112.91 115.24 1sa1 h THR 257 Ca -0.02 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 67.14 1sa1 h THR 257 Cb 1.01 0.26 0.00 0.00 -1.74 0.00 0.00 68.15 67.68 1sa1 h THR 257 CO 0.02 0.01 -0.16 0.59 0.37 0.00 0.00 175.52 176.35 1sa1 n ASN 258 N -5.40 1.24 0.00 4.18 5.03 -0.23 -4.70 115.26 115.38 1sa1 n ASN 258 Ca 0.12 -1.13 0.00 0.00 0.87 0.00 0.00 54.58 54.43 1sa1 n ASN 258 Cb 0.43 0.09 0.00 0.00 -1.02 0.00 0.00 39.78 39.28 1sa1 n ASN 258 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 1sa1 n LEU 259 N -0.32 0.99 -4.47 3.41 4.77 0.03 -4.74 117.00 116.67 1sa1 n LEU 259 Ca 0.15 0.00 -0.37 0.00 -0.03 0.00 0.00 56.01 55.76 1sa1 n LEU 259 Cb 0.36 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.32 1sa1 n LEU 259 CO 0.22 0.17 -0.27 0.68 -1.33 0.00 0.00 177.39 176.86 1sa1 s VAL 260 N -1.36 4.46 -0.78 4.08 -7.23 -0.60 -4.61 120.40 114.36 1sa1 s VAL 260 Ca 0.00 -0.12 0.24 0.00 -1.81 0.00 0.00 61.98 60.29 1sa1 s VAL 260 Cb 0.00 -3.09 0.02 0.00 0.56 0.00 0.00 36.38 33.87 1sa1 s VAL 260 CO 0.00 0.33 1.34 -0.81 -0.31 0.00 0.00 175.10 175.65 1sa1 n PRO 261 N 4.87 0.17 -4.07 4.82 -0.04 -1.26 -4.64 135.00 134.85 1sa1 n PRO 261 Ca -0.16 0.04 -0.11 0.00 -0.04 0.00 0.00 63.50 63.23 1sa1 n PRO 261 Cb 0.52 -1.60 -0.11 0.00 -0.04 0.00 0.00 33.50 32.27 1sa1 n PRO 261 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1sa1 s TYR 262 N -3.10 0.62 0.23 0.54 1.51 -1.26 -5.04 117.35 110.84 1sa1 s TYR 262 Ca 0.08 -0.61 -0.10 0.00 -1.01 0.00 0.00 57.07 55.42 1sa1 s TYR 262 Cb 0.15 -0.38 0.33 0.00 -0.11 0.00 0.00 41.96 41.95 1sa1 s TYR 262 CO 0.72 -0.14 1.64 -1.00 -1.11 0.00 0.00 175.55 175.66 1sa1 h PRO 263 N 4.18 0.06 -4.90 -1.71 0.13 -2.00 -3.35 132.00 124.42 1sa1 h PRO 263 Ca -0.35 -0.00 -0.60 0.00 -0.87 0.00 0.00 66.00 64.18 1sa1 h PRO 263 Cb 1.19 -0.01 0.13 0.00 0.13 0.00 0.00 31.00 32.44 1sa1 h PRO 263 CO 0.46 0.04 1.54 0.54 -0.23 0.00 0.00 178.00 180.36 1sa1 n ARG 264 N -5.37 0.30 0.00 0.86 5.12 -1.26 -4.52 116.66 111.79 1sa1 n ARG 264 Ca 0.10 -1.18 0.00 0.00 -1.93 0.00 0.00 57.85 54.85 1sa1 n ARG 264 Cb 0.39 -2.60 0.00 0.00 -1.16 0.00 0.00 32.46 29.09 1sa1 n ARG 264 CO 0.00 0.00 0.00 1.51 -1.93 0.00 0.00 177.63 177.21 1sa1 n ILE 265 N 6.82 0.00 -0.88 0.55 3.06 -1.26 -4.72 119.36 122.93 1sa1 n ILE 265 Ca 0.47 0.00 -0.30 0.00 -2.50 0.00 0.00 62.75 60.42 1sa1 n ILE 265 Cb 0.42 0.00 -0.02 0.00 0.54 0.00 0.00 39.64 40.58 1sa1 n ILE 265 CO 0.00 0.00 0.00 1.41 -2.50 0.00 0.00 176.55 175.46 1sa1 n HIS 266 N 0.03 -0.32 -3.53 9.51 8.25 -1.26 -2.98 115.22 124.92 1sa1 n HIS 266 Ca 0.00 0.61 -0.42 0.00 -0.26 0.00 0.00 57.72 57.65 1sa1 n HIS 266 Cb 0.00 -1.24 -0.09 0.00 1.12 0.00 0.00 29.99 29.78 1sa1 n HIS 266 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 1sa1 s PHE 267 N -0.64 3.29 0.85 4.41 0.40 -1.26 -3.57 117.98 121.46 1sa1 s PHE 267 Ca 0.40 -1.23 -0.11 0.00 -0.60 0.00 0.00 56.93 55.40 1sa1 s PHE 267 Cb -0.58 -2.93 0.10 0.00 0.51 0.00 0.00 43.02 40.12 1sa1 s PHE 267 CO 0.35 -0.79 1.14 -2.14 0.70 0.00 0.00 175.22 174.48 1sa1 s PRO 268 N 1.52 1.55 -0.14 0.24 0.02 -1.23 -4.81 135.00 132.14 1sa1 s PRO 268 Ca 0.03 1.46 -0.07 0.00 0.02 0.00 0.00 61.00 62.44 1sa1 s PRO 268 Cb -0.23 -1.79 -0.04 0.00 0.02 0.00 0.00 34.50 32.46 1sa1 s PRO 268 CO 0.04 -2.22 0.09 -1.17 -0.33 0.00 0.00 177.00 173.42 1sa1 s LEU 269 N -6.20 4.07 0.11 -5.54 1.98 0.26 -4.31 118.68 109.05 1sa1 s LEU 269 Ca 0.66 0.28 0.06 0.00 -2.89 0.00 0.00 54.13 52.23 1sa1 s LEU 269 Cb -0.22 -2.00 -0.04 0.00 0.66 0.00 0.00 46.19 44.59 1sa1 s LEU 269 CO 0.56 0.31 -0.02 0.00 -1.89 0.00 0.00 176.35 175.31 1sa1 s ALA 270 N -0.43 3.22 -0.30 5.97 0.00 -1.26 -1.79 121.76 127.16 1sa1 s ALA 270 Ca 0.11 -1.19 0.05 0.00 0.00 0.00 0.00 51.96 50.92 1sa1 s ALA 270 Cb -0.12 -1.10 0.18 0.00 0.00 0.00 0.00 23.12 22.08 1sa1 s ALA 270 CO 0.02 0.65 0.51 0.99 0.00 0.00 0.00 175.76 177.93 1sa1 s THR 271 N -1.38 -0.83 0.64 0.00 2.01 -0.96 -3.25 115.64 111.87 1sa1 s THR 271 Ca 0.25 -0.16 -0.13 0.00 0.31 0.00 0.00 61.69 61.97 1sa1 s THR 271 Cb -0.11 -0.89 -0.02 0.00 0.01 0.00 0.00 72.50 71.49 1sa1 s THR 271 CO 0.18 -0.14 1.05 -0.47 -0.69 0.00 0.00 174.62 174.55 1sa1 s TYR 272 N 2.57 3.09 0.00 4.92 5.04 -1.26 -3.99 117.35 127.72 1sa1 s TYR 272 Ca 0.11 1.46 0.00 0.00 -2.44 0.00 0.00 57.07 56.19 1sa1 s TYR 272 Cb -0.11 -2.92 0.00 0.00 0.35 0.00 0.00 41.96 39.28 1sa1 s TYR 272 CO -0.25 -1.13 0.00 0.00 -1.34 0.00 0.00 175.55 172.83 1sa1 n ALA 273 N -2.60 0.00 -3.29 3.97 0.00 -0.32 -4.80 120.51 113.47 1sa1 n ALA 273 Ca 0.08 0.00 -0.46 0.00 0.00 0.00 0.00 53.44 53.06 1sa1 n ALA 273 Cb 0.53 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.93 1sa1 n ALA 273 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1sa1 s PRO 274 N 0.00 2.96 -0.23 0.00 0.05 -1.26 -4.92 135.00 131.59 1sa1 s PRO 274 Ca 0.00 -1.69 -0.15 0.00 0.05 0.00 0.00 61.00 59.21 1sa1 s PRO 274 Cb 0.00 -4.26 -0.04 0.00 0.05 0.00 0.00 34.50 30.25 1sa1 s PRO 274 CO 0.00 -1.30 0.38 0.14 0.05 0.00 0.00 177.00 176.27 1sa1 s VAL 275 N 1.59 5.20 -0.24 -0.36 -7.23 -1.26 -5.01 120.40 113.09 1sa1 s VAL 275 Ca 0.03 0.63 -0.15 0.00 -1.81 0.00 0.00 61.98 60.68 1sa1 s VAL 275 Cb -0.29 -3.71 0.07 0.00 0.56 0.00 0.00 36.38 33.01 1sa1 s VAL 275 CO 0.03 0.22 0.59 -0.51 -0.31 0.00 0.00 175.10 175.12 1sa1 s ILE 276 N 1.61 -0.01 0.72 -0.62 1.10 -1.26 -4.91 121.20 117.83 1sa1 s ILE 276 Ca 0.17 0.03 -0.16 0.00 -0.51 0.00 0.00 60.65 60.18 1sa1 s ILE 276 Cb -0.15 -0.85 0.03 0.00 0.15 0.00 0.00 42.46 41.64 1sa1 s ILE 276 CO 0.08 0.01 1.23 -0.94 -2.11 0.00 0.00 174.94 173.22 1sa1 s SER 277 N 1.29 4.17 1.18 4.50 1.04 -1.26 -2.20 113.70 122.42 1sa1 s SER 277 Ca -0.08 2.44 -0.14 0.00 0.48 0.00 0.00 55.95 58.65 1sa1 s SER 277 Cb -0.06 -2.60 0.21 0.00 0.10 0.00 0.00 66.02 63.68 1sa1 s SER 277 CO -0.13 -2.28 0.75 0.00 0.98 0.00 0.00 173.24 172.55 1sa1 n ALA 278 N -2.61 -2.42 0.00 5.32 0.00 0.81 -2.92 120.51 118.69 1sa1 n ALA 278 Ca 0.14 -1.12 0.00 0.00 0.00 0.00 0.00 53.44 52.46 1sa1 n ALA 278 Cb 0.50 -0.08 0.00 0.00 0.00 0.00 0.00 19.45 19.87 1sa1 n ALA 278 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1sa1 n GLU 279 N -3.84 0.00 -0.33 0.00 -0.00 -1.26 -4.45 120.64 110.75 1sa1 n GLU 279 Ca 0.10 0.00 0.11 0.00 -0.00 0.00 0.00 57.16 57.37 1sa1 n GLU 279 Cb 0.41 -0.06 0.29 0.00 -0.00 0.00 0.00 31.44 32.08 1sa1 n GLU 279 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1sa1 n LYS 280 N 0.00 2.71 0.00 3.44 5.02 -1.15 -4.66 118.16 123.53 1sa1 n LYS 280 Ca 0.00 -2.56 0.11 0.00 -2.02 0.00 0.00 58.31 53.84 1sa1 n LYS 280 Cb 0.00 -1.53 0.58 0.00 -0.02 0.00 0.00 35.03 34.06 1sa1 n LYS 280 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1sa1 n ALA 281 N 1.51 2.19 0.35 7.82 0.00 -1.21 -2.99 120.51 128.18 1sa1 n ALA 281 Ca 0.23 -0.12 0.04 0.00 0.00 0.00 0.00 53.44 53.59 1sa1 n ALA 281 Cb 0.60 -1.35 0.02 0.00 0.00 0.00 0.00 19.45 18.72 1sa1 n ALA 281 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1sa1 n TYR 282 N -1.15 0.00 0.66 0.00 4.01 -1.26 -4.41 117.16 115.01 1sa1 n TYR 282 Ca 0.13 0.00 0.10 0.00 -0.16 0.00 0.00 57.90 57.97 1sa1 n TYR 282 Cb 0.12 0.00 0.44 0.00 -0.31 0.00 0.00 39.34 39.59 1sa1 n TYR 282 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 1sa1 n HIS 283 N 0.07 0.17 -0.09 -0.72 8.25 -1.16 -4.96 115.22 116.78 1sa1 n HIS 283 Ca 0.04 0.06 -0.06 0.00 -0.26 0.00 0.00 57.72 57.49 1sa1 n HIS 283 Cb 0.19 -0.59 0.06 0.00 1.12 0.00 0.00 29.99 30.77 1sa1 n HIS 283 CO 0.00 0.00 0.00 -1.91 0.64 0.00 0.00 176.34 175.07 1sa1 n GLU 284 N -1.64 -1.69 -0.75 -0.41 0.00 -1.26 -4.93 120.64 109.96 1sa1 n GLU 284 Ca 0.05 -0.31 0.00 0.00 0.00 0.00 0.00 57.16 56.90 1sa1 n GLU 284 Cb 0.25 -0.47 0.00 0.00 0.00 0.00 0.00 31.44 31.23 1sa1 n GLU 284 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1sa1 n GLN 285 N -2.16 0.00 -3.91 5.31 0.00 -1.26 -5.10 117.38 110.26 1sa1 n GLN 285 Ca 0.03 0.25 -0.35 0.00 0.00 0.00 0.00 57.00 56.92 1sa1 n GLN 285 Cb 0.13 -0.57 -0.11 0.00 0.00 0.00 0.00 30.24 29.69 1sa1 n GLN 285 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 1sa1 s LEU 286 N -0.14 3.64 -0.37 2.61 1.02 -1.26 -5.04 118.68 119.14 1sa1 s LEU 286 Ca 0.00 -0.06 -0.42 0.00 0.02 0.00 0.00 54.13 53.68 1sa1 s LEU 286 Cb 0.00 -1.95 -0.17 0.00 0.02 0.00 0.00 46.19 44.10 1sa1 s LEU 286 CO 0.00 0.07 1.81 -1.20 0.02 0.00 0.00 176.35 177.05 1sa1 n SER 287 N 4.20 1.90 0.12 2.29 7.64 -1.26 -4.74 113.62 123.76 1sa1 n SER 287 Ca -0.16 0.98 0.04 0.00 1.01 0.00 0.00 58.87 60.74 1sa1 n SER 287 Cb 0.52 -1.06 0.22 0.00 -1.01 0.00 0.00 64.21 62.88 1sa1 n SER 287 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 1sa1 n VAL 288 N 4.98 0.66 0.06 0.44 0.31 -1.26 0.19 118.33 123.71 1sa1 n VAL 288 Ca 0.33 0.68 -0.23 0.00 -0.01 0.00 0.00 64.34 65.11 1sa1 n VAL 288 Cb 0.08 -1.68 -0.15 0.00 -0.91 0.00 0.00 33.84 31.18 1sa1 n VAL 288 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1sa1 h ALA 289 N 1.02 0.14 0.23 3.52 0.00 -1.95 -3.35 119.26 118.87 1sa1 h ALA 289 Ca 0.00 -1.10 -0.01 0.00 0.00 0.00 0.00 54.91 53.79 1sa1 h ALA 289 Cb 0.66 0.44 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1sa1 h ALA 289 CO 0.00 0.94 -0.11 0.93 0.00 0.00 0.00 179.25 181.01 1sa1 h GLU 290 N -0.00 -0.29 -1.29 0.00 4.39 0.18 0.50 114.58 118.06 1sa1 h GLU 290 Ca -0.33 0.02 0.41 0.00 0.34 0.00 0.00 59.36 59.81 1sa1 h GLU 290 Cb 2.01 0.07 -0.12 0.00 -0.10 0.00 0.00 28.75 30.61 1sa1 h GLU 290 CO 0.15 0.03 0.84 -0.84 -1.16 0.00 0.00 179.01 178.03 1sa1 h ILE 291 N -0.65 0.18 0.02 3.13 3.07 -1.62 1.79 117.51 123.43 1sa1 h ILE 291 Ca -0.03 -0.04 -0.00 0.00 1.55 0.00 0.00 64.86 66.34 1sa1 h ILE 291 Cb 0.46 0.05 0.00 0.00 -0.27 0.00 0.00 36.82 37.06 1sa1 h ILE 291 CO 0.05 0.02 -0.01 0.74 -1.05 0.00 0.00 178.15 177.90 1sa1 h THR 292 N 0.12 1.45 -0.80 0.16 2.02 -1.47 -2.73 112.91 111.67 1sa1 h THR 292 Ca 0.79 -1.88 0.07 0.00 0.77 0.00 0.00 66.41 66.15 1sa1 h THR 292 Cb 2.45 2.65 -0.06 0.00 -1.74 0.00 0.00 68.15 71.45 1sa1 h THR 292 CO -0.38 0.46 0.47 0.78 0.37 0.00 0.00 175.52 177.22 1sa1 h ASN 293 N -0.90 0.72 0.22 4.18 2.35 0.41 0.82 115.58 123.38 1sa1 h ASN 293 Ca -0.00 0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.78 1sa1 h ASN 293 Cb 0.77 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 39.02 1sa1 h ASN 293 CO 0.00 0.45 0.00 0.00 -1.65 0.00 0.00 177.43 176.23 1sa1 n ALA 294 N -2.36 2.22 0.08 -0.83 0.00 0.57 -2.13 120.51 118.06 1sa1 n ALA 294 Ca 0.12 -0.12 -0.09 0.00 0.00 0.00 0.00 53.44 53.35 1sa1 n ALA 294 Cb 0.20 -1.36 -0.01 0.00 0.00 0.00 0.00 19.45 18.29 1sa1 n ALA 294 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1sa1 n PHE 296 N -3.66 2.65 -3.61 0.00 3.01 -0.91 -4.92 117.46 110.02 1sa1 n PHE 296 Ca -0.04 -2.83 -0.23 0.00 1.01 0.00 0.00 57.45 55.36 1sa1 n PHE 296 Cb 0.80 -1.24 -0.16 0.00 -0.01 0.00 0.00 39.48 38.86 1sa1 n PHE 296 CO 0.00 0.00 0.00 -2.00 1.01 0.00 0.00 176.76 175.77 1sa1 s GLU 297 N -2.62 0.05 0.28 -1.08 2.56 -1.25 -5.01 118.70 111.63 1sa1 s GLU 297 Ca 0.32 0.10 0.02 0.00 0.00 0.00 0.00 54.97 55.40 1sa1 s GLU 297 Cb 0.04 -1.38 0.68 0.00 2.00 0.00 0.00 34.13 35.47 1sa1 s GLU 297 CO 0.08 -0.58 1.69 -1.00 -0.56 0.00 0.00 175.26 174.89 1sa1 h PRO 298 N 8.40 0.34 0.00 4.30 0.13 -1.91 0.37 132.00 143.64 1sa1 h PRO 298 Ca -0.15 -0.02 -0.04 0.00 -0.87 0.00 0.00 66.00 64.92 1sa1 h PRO 298 Cb 1.14 -0.08 -0.01 0.00 0.13 0.00 0.00 31.00 32.19 1sa1 h PRO 298 CO 0.25 0.23 -0.21 0.00 -0.23 0.00 0.00 178.00 178.04 1sa1 h ALA 299 N 1.70 0.96 -0.88 -0.56 0.00 -1.95 -3.14 119.26 115.39 1sa1 h ALA 299 Ca 0.53 -0.19 -0.41 0.00 0.00 0.00 0.00 54.91 54.85 1sa1 h ALA 299 Cb 1.00 -0.03 -0.24 0.00 0.00 0.00 0.00 17.79 18.52 1sa1 h ALA 299 CO -0.54 0.26 0.50 -1.71 0.00 0.00 0.00 179.25 177.76 1sa1 n ASN 300 N -3.29 4.00 -0.36 0.00 2.85 0.13 -4.85 115.26 113.74 1sa1 n ASN 300 Ca 0.01 -3.51 0.00 0.00 -0.11 0.00 0.00 54.58 50.97 1sa1 n ASN 300 Cb 0.47 -0.80 0.00 0.00 1.24 0.00 0.00 39.78 40.69 1sa1 n ASN 300 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1sa1 n GLN 301 N -0.86 3.76 0.00 1.20 6.02 -1.17 -4.38 117.38 121.95 1sa1 n GLN 301 Ca 0.53 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.52 1sa1 n GLN 301 Cb 1.56 0.00 0.00 0.00 1.02 0.00 0.00 30.24 32.82 1sa1 n GLN 301 CO 0.00 0.00 0.00 -0.12 -1.01 0.00 0.00 177.06 175.93 1sa1 n MET 302 N 0.00 0.00 -4.06 -1.09 0.00 -1.20 -4.69 117.12 106.08 1sa1 n MET 302 Ca 0.00 0.00 -0.32 0.00 -0.00 0.00 0.00 57.70 57.38 1sa1 n MET 302 Cb 0.00 -0.05 -0.16 0.00 0.00 0.00 0.00 33.22 33.01 1sa1 n MET 302 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 175.97 176.05 1sa1 s VAL 303 N -1.00 1.95 -0.19 1.12 1.01 -1.26 -0.85 120.40 121.17 1sa1 s VAL 303 Ca 0.00 -1.18 -0.30 0.00 0.00 0.00 0.00 61.98 60.50 1sa1 s VAL 303 Cb 0.00 -1.94 -0.08 0.00 0.00 0.00 0.00 36.38 34.37 1sa1 s VAL 303 CO 0.00 0.23 2.15 1.17 0.00 0.00 0.00 175.10 178.65 1sa1 n LYS 304 N 4.58 1.95 -2.67 2.72 3.00 -1.26 -4.76 118.16 121.72 1sa1 n LYS 304 Ca -0.17 0.59 0.00 0.00 -0.00 0.00 0.00 58.31 58.73 1sa1 n LYS 304 Cb 0.46 -3.00 0.00 0.00 0.00 0.00 0.00 35.03 32.49 1sa1 n LYS 304 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1sa1 s ASP 306 N -4.00 -0.85 -0.06 0.00 3.84 -1.26 -4.91 116.67 109.43 1sa1 s ASP 306 Ca 0.00 1.39 0.07 0.00 -0.00 0.00 0.00 52.55 54.01 1sa1 s ASP 306 Cb 0.00 1.36 0.31 0.00 -1.38 0.00 0.00 42.92 43.21 1sa1 s ASP 306 CO 0.00 -0.22 1.09 -0.81 -0.00 0.00 0.00 175.17 175.23 1sa1 n PRO 307 N 3.97 2.24 -0.09 2.11 -0.05 -1.26 -2.85 135.00 139.07 1sa1 n PRO 307 Ca -0.19 -1.21 -0.13 0.00 -0.05 0.00 0.00 63.50 61.92 1sa1 n PRO 307 Cb 0.58 -1.59 -0.05 0.00 -0.05 0.00 0.00 33.50 32.40 1sa1 n PRO 307 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 1sa1 h ARG 308 N 1.68 0.65 0.14 0.54 3.08 -1.96 -3.35 114.38 115.16 1sa1 h ARG 308 Ca 0.00 -0.34 -0.01 0.00 0.07 0.00 0.00 59.98 59.70 1sa1 h ARG 308 Cb 0.83 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.89 1sa1 h ARG 308 CO 0.12 0.94 -0.07 1.12 -1.07 0.00 0.00 179.97 181.02 1sa1 h HIS 309 N 0.37 -0.17 -3.35 3.04 2.07 -1.95 -3.46 115.15 111.70 1sa1 h HIS 309 Ca 0.04 -0.00 -0.47 0.00 -2.85 0.00 0.00 60.37 57.09 1sa1 h HIS 309 Cb 0.82 0.06 0.05 0.00 2.57 0.00 0.00 27.41 30.91 1sa1 h HIS 309 CO 0.07 0.07 0.09 0.20 -3.07 0.00 0.00 177.93 175.30 1sa1 s GLY 310 N -2.58 1.61 0.45 6.13 0.00 -1.24 -4.98 107.32 106.71 1sa1 s GLY 310 Ca -0.15 -0.83 -0.02 0.00 0.00 0.00 0.00 44.72 43.72 1sa1 s GLY 310 CO 0.63 -0.58 0.70 -1.59 0.00 0.00 0.00 173.10 172.26 1sa1 s LYS 311 N -4.86 3.32 -0.13 2.90 0.00 -1.26 -4.78 119.74 114.93 1sa1 s LYS 311 Ca 0.53 -0.17 -0.06 0.00 0.00 0.00 0.00 55.97 56.26 1sa1 s LYS 311 Cb -0.10 -2.50 -0.04 0.00 0.00 0.00 0.00 37.83 35.19 1sa1 s LYS 311 CO 0.43 -0.18 0.10 0.71 0.00 0.00 0.00 175.35 176.41 1sa1 s TYR 312 N -2.60 3.46 -0.05 1.78 1.51 0.32 -1.98 117.35 119.79 1sa1 s TYR 312 Ca 0.46 0.40 0.07 0.00 -1.01 0.00 0.00 57.07 57.00 1sa1 s TYR 312 Cb -0.10 -1.95 0.11 0.00 -0.11 0.00 0.00 41.96 39.92 1sa1 s TYR 312 CO 0.40 0.58 0.99 0.00 -1.11 0.00 0.00 175.55 176.42 1sa1 n MET 313 N 2.32 1.12 0.00 -0.62 0.00 -0.25 0.86 117.12 120.55 1sa1 n MET 313 Ca -0.19 -1.65 0.00 0.00 0.00 0.00 0.00 57.70 55.86 1sa1 n MET 313 Cb 0.54 -0.99 0.00 0.00 0.00 0.00 0.00 33.22 32.77 1sa1 n MET 313 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1sa1 n ALA 314 N -0.67 0.00 -2.97 3.17 0.00 -1.17 -4.87 120.51 114.01 1sa1 n ALA 314 Ca 0.06 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.39 1sa1 n ALA 314 Cb 0.56 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.89 1sa1 n ALA 314 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1sa1 s LEU 317 N 2.85 3.74 -0.51 0.00 1.43 -0.57 -0.11 118.68 125.51 1sa1 s LEU 317 Ca 0.19 -0.23 -0.11 0.00 -1.03 0.00 0.00 54.13 52.95 1sa1 s LEU 317 Cb -0.14 -1.99 0.13 0.00 0.03 0.00 0.00 46.19 44.22 1sa1 s LEU 317 CO -0.22 -0.08 0.41 -0.76 0.23 0.00 0.00 176.35 175.93 1sa1 s LEU 318 N 1.65 5.84 0.79 1.79 1.02 -1.26 -0.92 118.68 127.60 1sa1 s LEU 318 Ca 0.06 -1.97 -0.12 0.00 0.02 0.00 0.00 54.13 52.12 1sa1 s LEU 318 Cb -0.16 -2.06 0.07 0.00 0.02 0.00 0.00 46.19 44.06 1sa1 s LEU 318 CO 0.06 -0.71 1.11 -0.31 0.02 0.00 0.00 176.35 176.52 1sa1 s TYR 319 N 1.28 2.91 -0.30 0.29 1.51 -0.57 -1.62 117.35 120.86 1sa1 s TYR 319 Ca 0.06 1.03 -0.02 0.00 -1.01 0.00 0.00 57.07 57.13 1sa1 s TYR 319 Cb -0.26 -3.19 0.19 0.00 -0.11 0.00 0.00 41.96 38.59 1sa1 s TYR 319 CO -0.01 -1.73 0.74 1.03 -1.11 0.00 0.00 175.55 174.48 1sa1 s ARG 320 N -5.27 0.44 0.00 -0.62 0.52 -0.66 -2.88 118.95 110.48 1sa1 s ARG 320 Ca 0.61 0.62 0.00 0.00 -0.52 0.00 0.00 55.73 56.44 1sa1 s ARG 320 Cb -0.13 0.33 0.00 0.00 0.52 0.00 0.00 34.95 35.66 1sa1 s ARG 320 CO 0.53 -0.64 0.00 0.41 0.02 0.00 0.00 175.30 175.62 1sa1 n GLY 321 N 5.39 -0.23 3.55 -3.53 0.00 -1.24 -2.15 105.19 106.99 1sa1 n GLY 321 Ca 0.01 -1.68 -0.31 0.00 0.00 0.00 0.00 46.02 44.04 1sa1 n GLY 321 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1sa1 s ASP 322 N -1.86 4.60 -0.27 1.61 -1.08 -1.17 -3.95 116.67 114.55 1sa1 s ASP 322 Ca 0.00 0.46 0.00 0.00 -0.52 0.00 0.00 52.55 52.49 1sa1 s ASP 322 Cb 0.00 -2.53 0.15 0.00 -1.46 0.00 0.00 42.92 39.09 1sa1 s ASP 322 CO 0.00 -2.97 0.42 -0.69 0.52 0.00 0.00 175.17 172.46 1sa1 s VAL 323 N 11.77 -0.67 0.08 1.11 1.01 -1.26 -4.96 120.40 127.48 1sa1 s VAL 323 Ca 0.86 -0.17 -0.27 0.00 0.00 0.00 0.00 61.98 62.39 1sa1 s VAL 323 Cb -0.14 -0.93 -0.06 0.00 0.00 0.00 0.00 36.38 35.26 1sa1 s VAL 323 CO 0.17 -0.19 0.86 -0.69 0.00 0.00 0.00 175.10 175.26 1sa1 s VAL 324 N 2.58 4.61 0.26 2.92 1.01 -1.26 -4.93 120.40 125.60 1sa1 s VAL 324 Ca 0.12 1.85 -0.01 0.00 0.00 0.00 0.00 61.98 63.94 1sa1 s VAL 324 Cb -0.14 -4.22 0.24 0.00 0.00 0.00 0.00 36.38 32.27 1sa1 s VAL 324 CO -0.24 0.34 1.77 1.55 0.00 0.00 0.00 175.10 178.53 1sa1 h PRO 325 N 5.60 0.66 -1.03 2.72 0.13 -2.01 -3.05 132.00 135.02 1sa1 h PRO 325 Ca -0.43 -0.04 0.34 0.00 -0.87 0.00 0.00 66.00 65.00 1sa1 h PRO 325 Cb 1.21 -0.15 -0.09 0.00 0.13 0.00 0.00 31.00 32.10 1sa1 h PRO 325 CO 0.71 0.43 0.69 1.63 -0.23 0.00 0.00 178.00 181.23 1sa1 n LYS 326 N -4.83 -0.02 0.01 0.86 4.01 -1.26 -0.90 118.16 116.03 1sa1 n LYS 326 Ca 0.17 0.82 -0.01 0.00 -0.51 0.00 0.00 58.31 58.78 1sa1 n LYS 326 Cb 0.41 -1.68 -0.00 0.00 -0.51 0.00 0.00 35.03 33.25 1sa1 n LYS 326 CO 0.00 0.00 0.00 -0.44 -1.11 0.00 0.00 177.40 175.85 1sa1 h ASP 327 N 0.00 -0.04 -0.54 4.39 3.32 -1.96 -3.07 116.42 118.52 1sa1 h ASP 327 Ca 0.61 0.00 0.13 0.00 0.02 0.00 0.00 57.03 57.79 1sa1 h ASP 327 Cb 2.07 0.01 -0.10 0.00 0.22 0.00 0.00 39.33 41.53 1sa1 h ASP 327 CO -0.24 0.02 -0.05 0.52 -1.72 0.00 0.00 179.24 177.76 1sa1 n VAL 328 N -2.40 -0.23 0.34 -1.35 0.31 -0.08 0.59 118.33 115.51 1sa1 n VAL 328 Ca -0.01 1.22 -0.17 0.00 -0.01 0.00 0.00 64.34 65.37 1sa1 n VAL 328 Cb 0.02 -1.74 -0.09 0.00 -0.91 0.00 0.00 33.84 31.12 1sa1 n VAL 328 CO 0.00 0.00 0.00 0.78 -1.32 0.00 0.00 176.83 176.29 1sa1 h ASN 329 N 0.00 -0.69 -0.30 4.52 -0.26 -1.48 0.91 115.58 118.27 1sa1 h ASN 329 Ca 0.30 0.02 0.09 0.00 -0.56 0.00 0.00 56.30 56.15 1sa1 h ASN 329 Cb 0.56 0.18 -0.01 0.00 -1.06 0.00 0.00 38.32 37.99 1sa1 h ASN 329 CO -0.53 -0.49 0.31 0.00 -1.06 0.00 0.00 177.43 175.67 1sa1 h ALA 330 N -0.44 1.99 0.00 -0.83 0.00 0.25 -0.67 119.26 119.55 1sa1 h ALA 330 Ca -0.08 -0.01 -0.19 0.00 0.00 0.00 0.00 54.91 54.63 1sa1 h ALA 330 Cb 0.63 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 1sa1 h ALA 330 CO 0.14 -0.47 -1.45 0.00 0.00 0.00 0.00 179.25 177.47 1sa1 h ALA 331 N 1.65 0.67 0.13 0.00 0.00 0.13 -2.90 119.26 118.95 1sa1 h ALA 331 Ca 0.14 -0.95 -0.01 0.00 0.00 0.00 0.00 54.91 54.10 1sa1 h ALA 331 Cb 0.77 0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1sa1 h ALA 331 CO -0.00 1.03 -0.06 0.82 0.00 0.00 0.00 179.25 181.03 1sa1 h ILE 332 N 0.00 0.99 -0.63 0.00 2.04 0.15 -2.34 117.51 117.72 1sa1 h ILE 332 Ca -0.18 -0.51 0.12 0.00 1.00 0.00 0.00 64.86 65.29 1sa1 h ILE 332 Cb 1.66 1.31 -0.12 0.00 -0.74 0.00 0.00 36.82 38.92 1sa1 h ILE 332 CO 0.05 0.12 -0.28 0.00 0.00 0.00 0.00 178.15 178.05 1sa1 h ALA 333 N 0.41 0.14 0.00 1.87 0.00 -1.14 0.22 119.26 120.76 1sa1 h ALA 333 Ca -0.02 0.20 -0.05 0.00 0.00 0.00 0.00 54.91 55.05 1sa1 h ALA 333 Cb 0.34 0.69 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 1sa1 h ALA 333 CO 0.03 -0.58 -0.24 1.79 0.00 0.00 0.00 179.25 180.25 1sa1 h THR 334 N -0.10 0.54 -0.71 0.00 1.35 -1.59 -2.41 112.91 109.99 1sa1 h THR 334 Ca 0.27 -1.22 -0.07 0.00 -0.55 0.00 0.00 66.41 64.84 1sa1 h THR 334 Cb 0.54 1.85 -0.03 0.00 -1.73 0.00 0.00 68.15 68.78 1sa1 h THR 334 CO -0.70 0.23 0.17 0.40 -0.25 0.00 0.00 175.52 175.38 1sa1 h ILE 335 N 0.00 1.26 -0.12 6.82 2.04 -0.03 -3.20 117.51 124.29 1sa1 h ILE 335 Ca -0.00 -0.98 -0.19 0.00 1.00 0.00 0.00 64.86 64.69 1sa1 h ILE 335 Cb 0.83 0.53 -0.00 0.00 -0.74 0.00 0.00 36.82 37.44 1sa1 h ILE 335 CO 0.03 0.38 -0.70 0.07 0.00 0.00 0.00 178.15 177.93 1sa1 h LYS 336 N 1.08 0.51 0.00 2.37 2.10 -0.78 -3.24 116.57 118.60 1sa1 h LYS 336 Ca 0.22 -0.39 -0.10 0.00 -2.00 0.00 0.00 60.65 58.38 1sa1 h LYS 336 Cb 0.38 0.07 -0.02 0.00 -0.90 0.00 0.00 32.23 31.77 1sa1 h LYS 336 CO 0.00 1.02 -0.59 1.15 -2.00 0.00 0.00 179.45 179.03 1sa1 h THR 337 N 0.36 0.71 -1.82 0.07 2.02 -1.62 -3.00 112.91 109.62 1sa1 h THR 337 Ca -0.03 -2.04 -0.73 0.00 0.77 0.00 0.00 66.41 64.39 1sa1 h THR 337 Cb 1.27 2.31 -0.24 0.00 -1.74 0.00 0.00 68.15 69.75 1sa1 h THR 337 CO 0.13 0.41 1.01 0.29 0.37 0.00 0.00 175.52 177.73 1sa1 n LYS 338 N -3.15 3.28 -3.74 6.66 4.01 -1.21 -4.97 118.16 119.04 1sa1 n LYS 338 Ca 0.01 -3.51 -0.12 0.00 -0.51 0.00 0.00 58.31 54.18 1sa1 n LYS 338 Cb 0.72 -2.30 -0.12 0.00 -0.51 0.00 0.00 35.03 32.82 1sa1 n LYS 338 CO 0.00 0.00 0.00 -0.98 -1.11 0.00 0.00 177.40 175.31 1sa1 s ARG 339 N -3.52 0.25 -1.17 1.97 1.70 -1.14 -4.95 118.95 112.09 1sa1 s ARG 339 Ca 0.51 0.51 -0.21 0.00 -0.47 0.00 0.00 55.73 56.07 1sa1 s ARG 339 Cb 0.37 -0.04 -0.06 0.00 -0.57 0.00 0.00 34.95 34.65 1sa1 s ARG 339 CO -0.31 -0.13 1.90 2.41 -1.08 0.00 0.00 175.30 178.09 1sa1 n THR 340 N 3.90 2.40 -0.00 4.99 -1.04 -1.26 -4.83 114.28 118.43 1sa1 n THR 340 Ca -0.22 -2.44 -0.17 0.00 -2.04 0.00 0.00 64.05 59.18 1sa1 n THR 340 Cb 0.55 -2.24 -0.13 0.00 -1.82 0.00 0.00 70.33 66.69 1sa1 n THR 340 CO 0.00 0.00 0.00 0.16 -0.64 0.00 0.00 175.07 174.59 1sa1 h ILE 341 N 5.76 1.56 -5.37 12.58 3.07 -1.93 -3.46 117.51 129.71 1sa1 h ILE 341 Ca 0.30 -2.26 -0.11 0.00 1.55 0.00 0.00 64.86 64.34 1sa1 h ILE 341 Cb 0.88 3.01 0.09 0.00 -0.27 0.00 0.00 36.82 40.53 1sa1 h ILE 341 CO 1.38 0.63 -0.40 0.00 -1.05 0.00 0.00 178.15 178.72 1sa1 n GLN 342 N -4.33 -1.73 -3.61 0.16 0.00 -1.26 -4.72 117.38 101.90 1sa1 n GLN 342 Ca -0.11 1.19 -0.36 0.00 0.00 0.00 0.00 57.00 57.72 1sa1 n GLN 342 Cb 0.65 -5.74 -0.08 0.00 0.00 0.00 0.00 30.24 25.07 1sa1 n GLN 342 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.06 177.18 1sa1 s PHE 343 N -3.18 3.41 -0.22 2.61 5.99 -1.26 0.12 117.98 125.44 1sa1 s PHE 343 Ca 0.21 0.44 -0.29 0.00 0.00 0.00 0.00 56.93 57.29 1sa1 s PHE 343 Cb -0.03 -2.29 -0.01 0.00 0.00 0.00 0.00 43.02 40.70 1sa1 s PHE 343 CO 0.73 0.19 1.26 0.54 -0.00 0.00 0.00 175.22 177.94 1sa1 s VAL 344 N 0.64 4.27 0.00 3.12 0.11 0.25 -4.80 120.40 123.99 1sa1 s VAL 344 Ca 0.12 1.50 0.00 0.00 -2.93 0.00 0.00 61.98 60.67 1sa1 s VAL 344 Cb -0.13 -4.08 0.00 0.00 -1.53 0.00 0.00 36.38 30.64 1sa1 s VAL 344 CO 0.02 -0.26 0.00 -0.67 -3.33 0.00 0.00 175.10 170.86 1sa1 n ASP 345 N 6.94 0.00 -1.10 3.54 -0.08 -1.26 -2.97 116.55 121.62 1sa1 n ASP 345 Ca 0.14 0.00 -0.02 0.00 -1.51 0.00 0.00 54.79 53.40 1sa1 n ASP 345 Cb 0.46 0.00 0.14 0.00 2.34 0.00 0.00 41.12 44.06 1sa1 n ASP 345 CO 0.00 0.00 0.00 -2.67 0.12 0.00 0.00 177.20 174.65 1sa1 n TRP 346 N 0.00 0.79 -3.09 -0.67 4.27 -1.26 -4.86 117.44 112.61 1sa1 n TRP 346 Ca 0.00 -1.65 -0.18 0.00 -3.89 0.00 0.00 57.50 51.78 1sa1 n TRP 346 Cb 0.00 -0.27 -0.04 0.00 -1.36 0.00 0.00 31.31 29.64 1sa1 n TRP 346 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1sa1 n PRO 348 N 2.18 0.00 -3.82 0.00 -0.02 -1.26 -4.19 135.00 127.89 1sa1 n PRO 348 Ca 0.21 0.00 -0.30 0.00 -2.02 0.00 0.00 63.50 61.39 1sa1 n PRO 348 Cb 0.54 0.00 -0.14 0.00 -0.02 0.00 0.00 33.50 33.88 1sa1 n PRO 348 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1sa1 s THR 349 N 0.00 1.62 0.44 3.45 -4.23 -1.26 -4.92 115.64 110.74 1sa1 s THR 349 Ca 0.00 -2.28 -0.21 0.00 -1.18 0.00 0.00 61.69 58.01 1sa1 s THR 349 Cb 0.00 -2.17 -0.13 0.00 1.34 0.00 0.00 72.50 71.54 1sa1 s THR 349 CO 0.00 -0.75 0.41 0.61 -0.54 0.00 0.00 174.62 174.35 1sa1 n GLY 350 N 4.02 -1.84 0.00 3.99 0.00 -1.26 -4.89 105.19 105.21 1sa1 n GLY 350 Ca 0.04 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1sa1 n GLY 350 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1sa1 n PHE 351 N -1.02 0.00 -2.89 1.61 0.99 -1.13 -4.55 117.46 110.46 1sa1 n PHE 351 Ca 0.11 0.00 -0.41 0.00 -0.00 0.00 0.00 57.45 57.16 1sa1 n PHE 351 Cb 0.41 0.00 -0.04 0.00 -1.00 0.00 0.00 39.48 38.85 1sa1 n PHE 351 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.76 176.91 1sa1 s LYS 352 N 0.00 4.51 -0.10 -1.08 -0.14 -1.14 -4.93 119.74 116.86 1sa1 s LYS 352 Ca 0.00 1.14 0.03 0.00 -1.36 0.00 0.00 55.97 55.78 1sa1 s LYS 352 Cb 0.00 -3.44 0.01 0.00 -1.68 0.00 0.00 37.83 32.72 1sa1 s LYS 352 CO 0.00 0.06 -0.19 0.08 -0.76 0.00 0.00 175.35 174.54 1sa1 s VAL 353 N 0.73 1.71 -0.53 3.17 1.01 -1.26 -1.51 120.40 123.73 1sa1 s VAL 353 Ca 0.44 -0.80 0.04 0.00 0.00 0.00 0.00 61.98 61.65 1sa1 s VAL 353 Cb -0.20 -1.52 0.15 0.00 0.00 0.00 0.00 36.38 34.82 1sa1 s VAL 353 CO 0.23 0.48 0.34 -0.83 0.00 0.00 0.00 175.10 175.33 1sa1 s GLY 354 N 0.61 2.05 0.41 4.51 0.00 -0.10 -4.71 107.32 110.11 1sa1 s GLY 354 Ca -0.14 -3.03 -0.25 0.00 0.00 0.00 0.00 44.72 41.30 1sa1 s GLY 354 CO 0.04 1.46 1.23 -0.26 0.00 0.00 0.00 173.10 175.57 1sa1 s ILE 355 N -0.34 2.90 -0.03 0.90 -5.25 -1.26 -1.51 121.20 116.60 1sa1 s ILE 355 Ca 0.23 0.76 0.09 0.00 -0.99 0.00 0.00 60.65 60.74 1sa1 s ILE 355 Cb -0.12 -3.43 0.16 0.00 2.95 0.00 0.00 42.46 42.01 1sa1 s ILE 355 CO -0.09 0.08 1.07 -3.20 -1.79 0.00 0.00 174.94 171.00 1sa1 n ASN 356 N -0.00 0.67 0.00 4.36 5.15 -1.14 -4.93 115.26 119.37 1sa1 n ASN 356 Ca 0.05 -2.28 0.00 0.00 -0.60 0.00 0.00 54.58 51.74 1sa1 n ASN 356 Cb 0.45 -0.28 0.00 0.00 -0.53 0.00 0.00 39.78 39.43 1sa1 n ASN 356 CO 0.00 0.00 0.00 -1.22 1.40 0.00 0.00 177.26 177.44 1sa1 n TYR 357 N -0.19 0.00 -1.92 1.20 0.53 -1.25 -4.69 117.16 110.84 1sa1 n TYR 357 Ca 0.05 0.00 -0.42 0.00 -1.02 0.00 0.00 57.90 56.50 1sa1 n TYR 357 Cb 0.78 0.00 -0.03 0.00 -1.03 0.00 0.00 39.34 39.06 1sa1 n TYR 357 CO 0.00 0.00 0.00 -2.00 -1.02 0.00 0.00 176.86 173.84 1sa1 s GLU 358 N 0.00 3.90 0.51 -0.72 2.56 -1.26 -3.85 118.70 119.84 1sa1 s GLU 358 Ca 0.00 2.08 -0.20 0.00 0.00 0.00 0.00 54.97 56.85 1sa1 s GLU 358 Cb 0.00 -4.09 -0.08 0.00 2.00 0.00 0.00 34.13 31.96 1sa1 s GLU 358 CO 0.00 -1.19 1.06 -2.14 -0.56 0.00 0.00 175.26 172.44 1sa1 s PRO 359 N 4.65 3.66 -1.14 4.30 0.02 -1.26 -3.73 135.00 141.50 1sa1 s PRO 359 Ca 0.79 1.42 -0.06 0.00 0.02 0.00 0.00 61.00 63.17 1sa1 s PRO 359 Cb -0.32 -2.07 0.27 0.00 0.02 0.00 0.00 34.50 32.39 1sa1 s PRO 359 CO 0.33 -0.56 1.54 -0.35 -0.33 0.00 0.00 177.00 177.62 1sa1 n PRO 360 N -1.09 4.13 -1.60 5.54 -0.05 -1.26 -5.00 135.00 135.67 1sa1 n PRO 360 Ca 0.10 -4.27 -0.44 0.00 -0.05 0.00 0.00 63.50 58.84 1sa1 n PRO 360 Cb 0.52 -2.64 -0.01 0.00 -0.05 0.00 0.00 33.50 31.32 1sa1 n PRO 360 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 175.50 177.86 1sa1 n THR 361 N 2.10 2.04 -4.35 0.52 -1.04 -1.26 -4.75 114.28 107.55 1sa1 n THR 361 Ca 0.30 -0.50 -0.24 0.00 -2.04 0.00 0.00 64.05 61.57 1sa1 n THR 361 Cb 0.35 -1.05 -0.08 0.00 -1.82 0.00 0.00 70.33 67.72 1sa1 n THR 361 CO 0.00 0.00 0.00 0.68 -0.64 0.00 0.00 175.07 175.11 1sa1 s VAL 362 N -1.10 2.91 0.28 12.58 -7.23 -1.26 -4.91 120.40 121.68 1sa1 s VAL 362 Ca 0.59 -2.04 -0.30 0.00 -1.81 0.00 0.00 61.98 58.42 1sa1 s VAL 362 Cb -0.67 -2.70 -0.11 0.00 0.56 0.00 0.00 36.38 33.46 1sa1 s VAL 362 CO 0.60 -0.31 1.49 -0.69 -0.31 0.00 0.00 175.10 175.87 1sa1 s VAL 363 N -2.44 2.40 0.11 1.32 1.01 -1.26 -4.95 120.40 116.59 1sa1 s VAL 363 Ca 0.32 0.35 -0.14 0.00 0.00 0.00 0.00 61.98 62.51 1sa1 s VAL 363 Cb -0.04 -3.22 -0.08 0.00 0.00 0.00 0.00 36.38 33.05 1sa1 s VAL 363 CO 0.19 0.06 1.43 -0.65 0.00 0.00 0.00 175.10 176.13 1sa1 h PRO 364 N 4.64 0.77 0.98 2.72 0.11 -1.99 -2.66 132.00 136.57 1sa1 h PRO 364 Ca -0.47 -0.41 -0.05 0.00 0.11 0.00 0.00 66.00 65.18 1sa1 h PRO 364 Cb 1.22 0.02 0.01 0.00 0.11 0.00 0.00 31.00 32.36 1sa1 h PRO 364 CO 0.76 1.04 -0.48 0.78 -0.21 0.00 0.00 178.00 179.89 1sa1 h GLY 365 N 0.53 -1.40 -0.95 -0.55 0.00 -1.98 -3.48 103.07 95.25 1sa1 h GLY 365 Ca 0.05 0.52 0.12 0.00 0.00 0.00 0.00 47.33 48.02 1sa1 h GLY 365 CO 0.08 -0.50 -0.15 0.61 0.00 0.00 0.00 176.54 176.57 1sa1 n GLY 366 N -1.67 -1.16 0.05 4.60 0.00 -1.00 -4.95 105.19 101.05 1sa1 n GLY 366 Ca -0.17 -0.99 0.00 0.00 0.00 0.00 0.00 46.02 44.86 1sa1 n GLY 366 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1sa1 n ASP 367 N -3.43 0.00 -4.91 1.61 8.00 -1.26 -5.00 116.55 111.55 1sa1 n ASP 367 Ca 0.00 0.00 -0.27 0.00 0.71 0.00 0.00 54.79 55.24 1sa1 n ASP 367 Cb 0.20 0.00 0.01 0.00 -0.02 0.00 0.00 41.12 41.31 1sa1 n ASP 367 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1sa1 s LEU 368 N -3.05 3.46 0.00 0.64 1.02 -1.26 -0.14 118.68 119.35 1sa1 s LEU 368 Ca 0.00 0.78 0.02 0.00 0.02 0.00 0.00 54.13 54.95 1sa1 s LEU 368 Cb 0.00 -3.68 -0.01 0.00 0.02 0.00 0.00 46.19 42.53 1sa1 s LEU 368 CO 0.00 -0.80 0.06 0.00 0.02 0.00 0.00 176.35 175.63 1sa1 n ALA 369 N -2.39 0.26 -0.92 4.21 0.00 -0.93 -4.52 120.51 116.22 1sa1 n ALA 369 Ca 0.02 -0.96 -0.37 0.00 0.00 0.00 0.00 53.44 52.14 1sa1 n ALA 369 Cb 0.56 0.63 -0.09 0.00 0.00 0.00 0.00 19.45 20.56 1sa1 n ALA 369 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1sa1 n LYS 370 N -0.44 0.00 -4.19 0.00 4.81 -1.26 -4.82 118.16 112.26 1sa1 n LYS 370 Ca -0.03 0.00 -0.34 0.00 -0.87 0.00 0.00 58.31 57.06 1sa1 n LYS 370 Cb 0.28 -1.03 -0.14 0.00 0.02 0.00 0.00 35.03 34.17 1sa1 n LYS 370 CO 0.00 0.00 0.00 0.14 1.17 0.00 0.00 177.40 178.71 1sa1 s VAL 371 N 4.83 3.43 -0.91 3.15 -7.23 -1.26 -5.00 120.40 117.40 1sa1 s VAL 371 Ca 0.86 -0.50 0.26 0.00 -1.81 0.00 0.00 61.98 60.79 1sa1 s VAL 371 Cb -0.97 -2.52 0.08 0.00 0.56 0.00 0.00 36.38 33.53 1sa1 s VAL 371 CO 0.41 0.46 1.53 0.00 -0.31 0.00 0.00 175.10 177.19 1sa1 n GLN 372 N 4.27 0.07 -3.64 4.82 1.13 -1.26 -4.06 117.38 118.71 1sa1 n GLN 372 Ca -0.18 0.03 -0.07 0.00 -1.94 0.00 0.00 57.00 54.84 1sa1 n GLN 372 Cb 0.52 -1.55 -0.07 0.00 0.11 0.00 0.00 30.24 29.24 1sa1 n GLN 372 CO 0.00 0.00 0.00 -0.98 -1.44 0.00 0.00 177.06 174.64 1sa1 s ARG 373 N -3.04 0.70 0.10 -1.09 1.70 -1.26 -3.05 118.95 113.02 1sa1 s ARG 373 Ca 0.11 1.19 -0.02 0.00 -0.47 0.00 0.00 55.73 56.54 1sa1 s ARG 373 Cb 0.17 0.16 -0.04 0.00 -0.57 0.00 0.00 34.95 34.67 1sa1 s ARG 373 CO 0.66 -0.14 0.04 0.00 -1.08 0.00 0.00 175.30 174.78 1sa1 s ALA 374 N 1.53 0.65 0.33 7.88 0.00 -0.91 -4.73 121.76 126.51 1sa1 s ALA 374 Ca -0.09 -1.32 0.04 0.00 0.00 0.00 0.00 51.96 50.60 1sa1 s ALA 374 Cb -0.05 0.64 -0.03 0.00 0.00 0.00 0.00 23.12 23.68 1sa1 s ALA 374 CO -0.18 -0.46 0.19 0.08 0.00 0.00 0.00 175.76 175.39 1sa1 s VAL 375 N -3.99 0.25 0.00 0.00 1.01 -1.26 -1.65 120.40 114.76 1sa1 s VAL 375 Ca 0.17 -2.00 0.00 0.00 0.00 0.00 0.00 61.98 60.15 1sa1 s VAL 375 Cb 0.07 -2.48 0.00 0.00 0.00 0.00 0.00 36.38 33.98 1sa1 s VAL 375 CO -0.03 0.00 0.00 0.00 0.00 0.00 0.00 175.10 175.07 1sa1 n MET 377 N -1.22 -1.98 -3.80 0.00 0.00 -1.16 -2.27 117.12 106.69 1sa1 n MET 377 Ca 0.00 1.81 -0.37 0.00 0.00 0.00 0.00 57.70 59.14 1sa1 n MET 377 Cb 0.00 -2.79 -0.13 0.00 0.00 0.00 0.00 33.22 30.30 1sa1 n MET 377 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 175.97 175.46 1sa1 s LEU 378 N -0.97 3.74 -0.07 -0.89 1.43 0.84 -2.71 118.68 120.06 1sa1 s LEU 378 Ca -0.04 -0.74 0.04 0.00 -1.03 0.00 0.00 54.13 52.35 1sa1 s LEU 378 Cb 0.00 -1.84 0.00 0.00 0.03 0.00 0.00 46.19 44.38 1sa1 s LEU 378 CO 0.34 -0.18 -0.18 -0.94 0.23 0.00 0.00 176.35 175.62 1sa1 s SER 379 N 1.47 2.32 -0.39 2.29 1.04 -0.74 -2.17 113.70 117.52 1sa1 s SER 379 Ca 0.02 -0.40 -0.19 0.00 0.48 0.00 0.00 55.95 55.86 1sa1 s SER 379 Cb -0.17 -0.91 0.01 0.00 0.10 0.00 0.00 66.02 65.05 1sa1 s SER 379 CO 0.01 0.12 0.58 0.21 0.98 0.00 0.00 173.24 175.14 1sa1 s ASN 380 N 0.33 6.33 0.05 7.02 3.04 -0.53 0.93 114.94 132.12 1sa1 s ASN 380 Ca -0.12 -0.16 0.05 0.00 0.04 0.00 0.00 52.86 52.67 1sa1 s ASN 380 Cb -0.15 -2.30 -0.02 0.00 -1.54 0.00 0.00 41.25 37.24 1sa1 s ASN 380 CO 0.05 -0.62 -0.14 0.28 -3.04 0.00 0.00 177.10 173.63 1sa1 s THR 381 N 2.60 1.08 0.33 -5.21 -1.32 -1.26 -1.09 115.64 110.77 1sa1 s THR 381 Ca 0.21 -1.11 0.07 0.00 -1.21 0.00 0.00 61.69 59.64 1sa1 s THR 381 Cb -0.15 -1.01 0.31 0.00 -1.51 0.00 0.00 72.50 70.14 1sa1 s THR 381 CO 0.16 -0.10 1.83 0.71 -2.21 0.00 0.00 174.62 175.01 1sa1 h THR 382 N 4.43 0.80 0.00 5.08 1.35 -1.74 -2.58 112.91 120.25 1sa1 h THR 382 Ca -0.39 -0.26 -0.00 0.00 -0.55 0.00 0.00 66.41 65.21 1sa1 h THR 382 Cb 1.19 -0.03 -0.00 0.00 -1.73 0.00 0.00 68.15 67.58 1sa1 h THR 382 CO 0.42 0.14 -0.00 0.00 -0.25 0.00 0.00 175.52 175.83 1sa1 h ALA 383 N 1.60 1.24 0.00 6.62 0.00 -1.87 -0.98 119.26 125.86 1sa1 h ALA 383 Ca 0.50 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.41 1sa1 h ALA 383 Cb 0.77 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1sa1 h ALA 383 CO -0.27 0.00 0.26 0.97 0.00 0.00 0.00 179.25 180.21 1sa1 h ILE 384 N 0.00 0.00 0.14 0.00 -0.00 -1.83 -1.70 117.51 114.13 1sa1 h ILE 384 Ca -0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 64.86 64.85 1sa1 h ILE 384 Cb 0.00 0.52 0.00 0.00 -0.00 0.00 0.00 36.82 37.35 1sa1 h ILE 384 CO 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 178.15 178.08 1sa1 h ALA 385 N 1.41 -0.19 -0.22 0.18 0.00 -1.41 -3.08 119.26 115.95 1sa1 h ALA 385 Ca 0.00 -0.08 0.07 0.00 0.00 0.00 0.00 54.91 54.90 1sa1 h ALA 385 Cb 0.51 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.34 1sa1 h ALA 385 CO 0.00 -0.57 0.03 -1.91 0.00 0.00 0.00 179.25 176.80 1sa1 n GLU 386 N -5.14 -0.02 -0.07 0.00 2.13 -0.64 0.35 120.64 117.26 1sa1 n GLU 386 Ca -0.09 0.32 -0.14 0.00 0.66 0.00 0.00 57.16 57.91 1sa1 n GLU 386 Cb 0.13 -0.52 -0.05 0.00 0.27 0.00 0.00 31.44 31.26 1sa1 n GLU 386 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1sa1 h ALA 387 N 0.44 0.37 -0.86 4.31 0.00 -1.73 -2.49 119.26 119.29 1sa1 h ALA 387 Ca 0.14 -0.46 0.12 0.00 0.00 0.00 0.00 54.91 54.71 1sa1 h ALA 387 Cb 0.32 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 17.98 1sa1 h ALA 387 CO -0.20 0.48 0.56 -1.49 0.00 0.00 0.00 179.25 178.60 1sa1 h TRP 388 N 0.42 0.83 0.31 0.00 -0.00 0.59 -2.40 115.95 115.71 1sa1 h TRP 388 Ca 0.02 0.02 -0.02 0.00 -0.00 0.00 0.00 58.89 58.91 1sa1 h TRP 388 Cb 1.02 -0.27 0.00 0.00 -0.00 0.00 0.00 29.16 29.91 1sa1 h TRP 388 CO 0.08 0.35 -0.15 0.00 -0.00 0.00 0.00 178.44 178.72 1sa1 h ALA 389 N 1.59 -0.42 -0.93 1.49 0.00 -1.02 -1.21 119.26 118.76 1sa1 h ALA 389 Ca 0.42 -0.15 0.22 0.00 0.00 0.00 0.00 54.91 55.40 1sa1 h ALA 389 Cb 0.58 0.16 -0.12 0.00 0.00 0.00 0.00 17.79 18.42 1sa1 h ALA 389 CO -0.18 -0.65 0.47 0.00 0.00 0.00 0.00 179.25 178.88 1sa1 h ARG 390 N -0.59 0.48 0.27 0.00 3.08 -1.09 -0.39 114.38 116.13 1sa1 h ARG 390 Ca -0.04 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 59.96 1sa1 h ARG 390 Cb 0.43 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.37 1sa1 h ARG 390 CO 0.07 0.32 -0.13 1.25 -1.07 0.00 0.00 179.97 180.41 1sa1 h LEU 391 N 0.50 -0.31 -0.89 3.04 5.85 -1.32 -2.87 115.31 119.31 1sa1 h LEU 391 Ca 0.57 0.01 0.09 0.00 0.84 0.00 0.00 57.88 59.39 1sa1 h LEU 391 Cb 1.05 0.08 -0.11 0.00 0.37 0.00 0.00 40.66 42.05 1sa1 h LEU 391 CO -0.49 -0.15 -0.50 0.47 -0.34 0.00 0.00 178.44 177.44 1sa1 n ASP 392 N -3.39 -0.89 -0.21 1.25 10.43 -0.47 -0.72 116.55 122.55 1sa1 n ASP 392 Ca -0.05 1.59 0.02 0.00 2.57 0.00 0.00 54.79 58.92 1sa1 n ASP 392 Cb 0.14 -0.23 0.12 0.00 1.84 0.00 0.00 41.12 43.00 1sa1 n ASP 392 CO 0.00 0.00 0.00 -0.74 -1.07 0.00 0.00 177.20 175.39 1sa1 h HIS 393 N 0.00 0.08 -0.12 1.24 2.76 -1.16 1.04 115.15 118.99 1sa1 h HIS 393 Ca 0.17 0.04 0.02 0.00 -2.20 0.00 0.00 60.37 58.41 1sa1 h HIS 393 Cb 0.39 0.06 -0.04 0.00 1.55 0.00 0.00 27.41 29.37 1sa1 h HIS 393 CO -0.90 -0.12 -0.36 0.87 -1.30 0.00 0.00 177.93 176.12 1sa1 h LYS 394 N 0.18 -0.35 -0.14 5.26 6.56 -0.68 -2.58 116.57 124.82 1sa1 h LYS 394 Ca 0.35 0.02 0.02 0.00 -1.06 0.00 0.00 60.65 59.98 1sa1 h LYS 394 Cb 0.56 0.08 -0.04 0.00 -0.57 0.00 0.00 32.23 32.26 1sa1 h LYS 394 CO -0.50 -0.23 -0.29 0.35 -2.06 0.00 0.00 179.45 176.71 1sa1 h PHE 395 N -0.37 -0.87 -0.43 -1.35 3.57 0.10 -0.67 116.94 116.92 1sa1 h PHE 395 Ca 0.03 0.04 0.15 0.00 3.53 0.00 0.00 57.97 61.72 1sa1 h PHE 395 Cb 0.44 0.40 -0.08 0.00 2.79 0.00 0.00 35.95 39.50 1sa1 h PHE 395 CO -0.56 -0.27 0.13 -0.25 -2.23 0.00 0.00 178.31 175.13 1sa1 n ASP 396 N -4.08 0.06 -0.01 0.41 9.92 0.32 -0.56 116.55 122.61 1sa1 n ASP 396 Ca -0.03 0.72 0.03 0.00 -0.53 0.00 0.00 54.79 54.99 1sa1 n ASP 396 Cb 0.19 -0.31 -0.12 0.00 -0.64 0.00 0.00 41.12 40.23 1sa1 n ASP 396 CO 0.00 0.00 0.00 -0.11 0.13 0.00 0.00 177.20 177.22 1sa1 n LEU 397 N -4.19 0.33 0.06 0.64 0.00 -0.31 -2.35 117.00 111.18 1sa1 n LEU 397 Ca 0.14 0.14 -0.03 0.00 0.00 0.00 0.00 56.01 56.25 1sa1 n LEU 397 Cb 0.45 0.13 -0.02 0.00 0.00 0.00 0.00 43.42 43.99 1sa1 n LEU 397 CO -0.01 0.13 0.15 0.24 0.00 0.00 0.00 177.39 177.90 1sa1 h MET 398 N 0.00 -0.20 -1.60 1.96 2.86 -0.23 -3.32 114.93 114.39 1sa1 h MET 398 Ca -0.17 0.01 0.47 0.00 -2.06 0.00 0.00 59.70 57.95 1sa1 h MET 398 Cb 1.44 0.05 -0.07 0.00 0.06 0.00 0.00 31.60 33.08 1sa1 h MET 398 CO 0.02 -0.13 1.15 -0.92 1.06 0.00 0.00 176.91 178.09 1sa1 h TYR 399 N -0.58 0.01 0.00 -0.22 3.20 -0.97 0.47 116.97 118.88 1sa1 h TYR 399 Ca -0.02 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.85 1sa1 h TYR 399 Cb 0.16 -0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.43 1sa1 h TYR 399 CO 0.03 -0.00 0.09 0.00 -1.64 0.00 0.00 178.16 176.64 1sa1 n ALA 400 N -2.85 0.85 -2.53 1.82 0.00 -0.99 -0.63 120.51 116.18 1sa1 n ALA 400 Ca 0.36 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.83 1sa1 n ALA 400 Cb 1.65 -0.79 0.03 0.00 0.00 0.00 0.00 19.45 20.34 1sa1 n ALA 400 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1sa1 n LYS 401 N -1.33 0.28 -0.79 0.00 5.02 0.17 -4.97 118.16 116.54 1sa1 n LYS 401 Ca 0.00 -2.24 -0.02 0.00 -2.02 0.00 0.00 58.31 54.03 1sa1 n LYS 401 Cb 0.09 -0.26 -0.01 0.00 -0.02 0.00 0.00 35.03 34.83 1sa1 n LYS 401 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1sa1 n ARG 402 N 0.32 -1.88 0.00 1.97 5.12 0.19 -4.82 116.66 117.56 1sa1 n ARG 402 Ca 0.06 0.42 0.00 0.00 -1.93 0.00 0.00 57.85 56.40 1sa1 n ARG 402 Cb 1.09 -4.32 0.00 0.00 -1.16 0.00 0.00 32.46 28.07 1sa1 n ARG 402 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1sa1 n ALA 403 N 0.66 0.00 0.76 7.54 0.00 -1.22 -0.09 120.51 128.15 1sa1 n ALA 403 Ca -0.02 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.50 1sa1 n ALA 403 Cb 0.36 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.82 1sa1 n ALA 403 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1sa1 n PHE 404 N 0.00 0.00 -0.03 0.00 3.01 -1.26 -4.72 117.46 114.45 1sa1 n PHE 404 Ca 0.00 0.00 -0.01 0.00 1.01 0.00 0.00 57.45 58.45 1sa1 n PHE 404 Cb 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 39.48 39.46 1sa1 n PHE 404 CO 0.00 0.00 0.00 1.55 1.01 0.00 0.00 176.76 179.32 1sa1 n VAL 405 N 0.14 -0.05 0.06 -4.37 3.14 0.87 -0.29 118.33 117.82 1sa1 n VAL 405 Ca 0.08 0.20 0.01 0.00 -2.96 0.00 0.00 64.34 61.67 1sa1 n VAL 405 Cb 0.38 -0.25 0.03 0.00 -1.06 0.00 0.00 33.84 32.94 1sa1 n VAL 405 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1sa1 n HIS 406 N -4.11 0.00 0.13 1.45 1.44 -1.26 -0.30 115.22 112.57 1sa1 n HIS 406 Ca 0.00 0.00 0.03 0.00 -2.01 0.00 0.00 57.72 55.74 1sa1 n HIS 406 Cb 0.02 -0.16 0.02 0.00 0.12 0.00 0.00 29.99 29.99 1sa1 n HIS 406 CO 0.00 0.00 0.00 -1.49 -2.81 0.00 0.00 176.34 172.04 1sa1 h TRP 407 N 0.00 0.00 0.00 -1.40 4.06 -1.03 -1.95 115.95 115.63 1sa1 h TRP 407 Ca 0.00 0.00 -0.25 0.00 2.06 0.00 0.00 58.89 60.70 1sa1 h TRP 407 Cb 0.01 0.00 -0.04 0.00 -1.00 0.00 0.00 29.16 28.13 1sa1 h TRP 407 CO 0.00 0.48 -1.38 0.66 -3.56 0.00 0.00 178.44 174.65 1sa1 n TYR 408 N -3.19 0.96 -0.20 0.49 4.02 0.58 -3.04 117.16 116.78 1sa1 n TYR 408 Ca 0.01 0.40 0.26 0.00 -0.01 0.00 0.00 57.90 58.57 1sa1 n TYR 408 Cb 0.73 -1.10 0.67 0.00 -0.02 0.00 0.00 39.34 39.63 1sa1 n TYR 408 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 176.86 176.13 1sa1 h VAL 409 N -0.96 0.57 -0.12 -0.72 2.07 -1.61 0.11 116.25 115.59 1sa1 h VAL 409 Ca -0.38 -0.04 -0.03 0.00 0.82 0.00 0.00 66.70 67.08 1sa1 h VAL 409 Cb 1.35 0.46 -0.00 0.00 -1.52 0.00 0.00 31.29 31.58 1sa1 h VAL 409 CO -0.21 0.02 -0.05 1.23 0.02 0.00 0.00 177.57 178.58 1sa1 h GLY 410 N 0.11 0.26 2.00 2.17 0.00 -1.42 -2.42 103.07 103.77 1sa1 h GLY 410 Ca 0.45 -0.23 0.00 0.00 0.00 0.00 0.00 47.33 47.55 1sa1 h GLY 410 CO -0.06 0.21 0.00 0.83 0.00 0.00 0.00 176.54 177.52 1sa1 h GLU 411 N -0.10 0.00 0.00 4.80 4.39 -0.89 -3.45 114.58 119.33 1sa1 h GLU 411 Ca 0.03 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.73 1sa1 h GLU 411 Cb 0.49 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.14 1sa1 h GLU 411 CO 0.01 0.00 0.00 0.41 -1.16 0.00 0.00 179.01 178.27 1sa1 n GLY 412 N 0.42 0.56 3.88 -3.84 0.00 0.17 -4.82 105.19 101.56 1sa1 n GLY 412 Ca 0.03 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.84 1sa1 n GLY 412 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1sa1 s MET 413 N 0.00 3.08 0.08 1.61 1.75 -0.98 -4.97 119.30 119.87 1sa1 s MET 413 Ca 0.00 -0.98 -0.27 0.00 -1.25 0.00 0.00 55.69 53.19 1sa1 s MET 413 Cb 0.00 -2.67 -0.06 0.00 2.84 0.00 0.00 34.83 34.94 1sa1 s MET 413 CO 0.00 0.36 0.83 -1.21 -0.65 0.00 0.00 175.02 174.35 1sa1 s GLU 414 N -3.92 4.57 0.37 4.11 2.02 -1.26 -4.38 118.70 120.22 1sa1 s GLU 414 Ca 0.35 1.20 0.14 0.00 0.02 0.00 0.00 54.97 56.68 1sa1 s GLU 414 Cb -0.08 -3.35 0.98 0.00 0.10 0.00 0.00 34.13 31.78 1sa1 s GLU 414 CO 0.27 0.30 1.80 0.93 0.02 0.00 0.00 175.26 178.58 1sa1 h GLU 415 N 5.44 0.50 0.00 1.61 5.08 -1.98 -1.21 114.58 124.02 1sa1 h GLU 415 Ca -0.44 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 1sa1 h GLU 415 Cb 1.21 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.34 1sa1 h GLU 415 CO 0.70 0.33 0.00 0.78 -1.00 0.00 0.00 179.01 179.83 1sa1 h GLY 416 N 0.52 0.00 1.25 -3.84 0.00 -2.01 0.60 103.07 99.59 1sa1 h GLY 416 Ca 0.56 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.86 1sa1 h GLY 416 CO -0.29 0.00 0.31 -2.09 0.00 0.00 0.00 176.54 174.47 1sa1 h GLU 417 N 0.00 0.97 0.15 4.80 4.81 -1.61 -2.36 114.58 121.34 1sa1 h GLU 417 Ca 0.00 -0.14 -0.01 0.00 -0.13 0.00 0.00 59.36 59.09 1sa1 h GLU 417 Cb 0.10 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.30 1sa1 h GLU 417 CO 0.00 0.76 -0.07 0.74 -0.73 0.00 0.00 179.01 179.71 1sa1 h PHE 418 N 0.97 -0.18 -1.01 0.92 -1.00 0.08 0.12 116.94 116.84 1sa1 h PHE 418 Ca 0.23 -0.00 0.23 0.00 2.81 0.00 0.00 57.97 61.24 1sa1 h PHE 418 Cb 0.12 0.06 -0.12 0.00 3.61 0.00 0.00 35.95 39.62 1sa1 h PHE 418 CO 0.01 -0.11 0.60 0.77 -1.61 0.00 0.00 178.31 177.97 1sa1 h SER 419 N -0.24 0.71 1.37 2.17 0.02 -1.65 0.38 113.55 116.31 1sa1 h SER 419 Ca -0.02 0.12 0.00 0.00 -0.84 0.00 0.00 61.79 61.05 1sa1 h SER 419 Cb 0.15 0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.70 1sa1 h SER 419 CO 0.03 0.16 0.00 -0.08 -1.14 0.00 0.00 176.83 175.80 1sa1 h GLU 420 N 0.64 0.00 0.00 3.45 4.22 -1.42 -1.12 114.58 120.34 1sa1 h GLU 420 Ca 0.62 0.00 -0.10 0.00 0.08 0.00 0.00 59.36 59.96 1sa1 h GLU 420 Cb 1.13 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.36 1sa1 h GLU 420 CO -0.44 0.00 -0.81 0.00 -2.18 0.00 0.00 179.01 175.58 1sa1 h ALA 421 N 2.04 0.12 -0.45 2.92 0.00 0.24 -3.32 119.26 120.81 1sa1 h ALA 421 Ca 0.00 -0.80 0.07 0.00 0.00 0.00 0.00 54.91 54.18 1sa1 h ALA 421 Cb 0.69 0.58 -0.02 0.00 0.00 0.00 0.00 17.79 19.03 1sa1 h ALA 421 CO 0.00 0.56 0.31 -0.09 0.00 0.00 0.00 179.25 180.03 1sa1 h ARG 422 N -1.00 0.30 0.00 0.00 9.65 -0.96 0.36 114.38 122.73 1sa1 h ARG 422 Ca -0.16 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.71 1sa1 h ARG 422 Cb 0.86 -0.07 0.00 0.00 -1.39 0.00 0.00 29.97 29.37 1sa1 h ARG 422 CO -0.09 0.20 0.00 0.39 2.80 0.00 0.00 179.97 183.26 1sa1 n GLU 423 N -4.47 0.17 -0.05 0.20 1.02 -0.43 -1.73 120.64 115.35 1sa1 n GLU 423 Ca 0.06 0.17 -0.11 0.00 -0.02 0.00 0.00 57.16 57.26 1sa1 n GLU 423 Cb 0.30 -1.50 -0.14 0.00 -0.02 0.00 0.00 31.44 30.08 1sa1 n GLU 423 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1sa1 n ASP 424 N -1.27 0.85 -0.09 1.62 -0.08 0.13 -3.32 116.55 114.39 1sa1 n ASP 424 Ca 0.05 0.22 -0.12 0.00 -1.51 0.00 0.00 54.79 53.43 1sa1 n ASP 424 Cb 0.09 0.14 -0.05 0.00 2.34 0.00 0.00 41.12 43.64 1sa1 n ASP 424 CO 0.00 0.00 0.00 0.24 0.12 0.00 0.00 177.20 177.56 1sa1 h MET 425 N 0.01 0.53 -0.82 -0.67 2.86 -1.28 -0.68 114.93 114.89 1sa1 h MET 425 Ca -0.41 -0.23 0.16 0.00 -2.06 0.00 0.00 59.70 57.16 1sa1 h MET 425 Cb 2.08 -0.02 -0.15 0.00 0.06 0.00 0.00 31.60 33.57 1sa1 h MET 425 CO 0.05 0.78 -0.24 0.00 1.06 0.00 0.00 176.91 178.56 1sa1 h ALA 426 N 0.74 0.45 0.36 6.32 0.00 -1.46 0.67 119.26 126.34 1sa1 h ALA 426 Ca 0.06 0.30 -0.02 0.00 0.00 0.00 0.00 54.91 55.25 1sa1 h ALA 426 Cb 0.61 0.68 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1sa1 h ALA 426 CO 0.04 -0.45 -0.17 0.00 0.00 0.00 0.00 179.25 178.66 1sa1 h ALA 427 N 1.70 -0.49 -0.56 0.00 0.00 -1.48 -2.59 119.26 115.84 1sa1 h ALA 427 Ca 0.38 -0.12 0.04 0.00 0.00 0.00 0.00 54.91 55.20 1sa1 h ALA 427 Cb 0.60 0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.54 1sa1 h ALA 427 CO -0.85 -0.75 0.32 1.25 0.00 0.00 0.00 179.25 179.22 1sa1 h LEU 428 N -0.53 0.49 -1.67 0.00 5.85 0.24 0.35 115.31 120.05 1sa1 h LEU 428 Ca -0.05 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.68 1sa1 h LEU 428 Cb 0.40 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.33 1sa1 h LEU 428 CO 0.08 0.34 0.14 -0.33 -0.34 0.00 0.00 178.44 178.33 1sa1 h GLU 429 N 0.62 0.36 0.01 1.25 5.08 0.32 0.50 114.58 122.71 1sa1 h GLU 429 Ca 0.24 -0.03 -0.11 0.00 -1.00 0.00 0.00 59.36 58.45 1sa1 h GLU 429 Cb 0.08 -0.08 0.01 0.00 0.50 0.00 0.00 28.75 29.27 1sa1 h GLU 429 CO -0.13 0.27 -0.45 -0.22 -1.00 0.00 0.00 179.01 177.49 1sa1 h LYS 430 N 0.37 0.29 -0.57 2.33 3.64 -0.96 -2.62 116.57 119.04 1sa1 h LYS 430 Ca 0.10 -0.32 0.10 0.00 -1.27 0.00 0.00 60.65 59.26 1sa1 h LYS 430 Cb 0.02 0.09 -0.11 0.00 -0.41 0.00 0.00 32.23 31.82 1sa1 h LYS 430 CO -0.02 1.03 -0.32 -0.44 -2.27 0.00 0.00 179.45 177.44 1sa1 h ASP 431 N -0.32 -1.10 0.00 4.20 3.32 0.95 1.25 116.42 124.72 1sa1 h ASP 431 Ca -0.06 0.22 0.00 0.00 0.02 0.00 0.00 57.03 57.21 1sa1 h ASP 431 Cb 1.19 0.55 0.00 0.00 0.22 0.00 0.00 39.33 41.29 1sa1 h ASP 431 CO 0.09 -0.30 0.00 -1.22 -1.72 0.00 0.00 179.24 176.09 1sa1 n TYR 432 N -5.43 0.00 -0.50 4.55 0.53 0.16 -2.07 117.16 114.40 1sa1 n TYR 432 Ca 0.04 0.00 0.41 0.00 -1.02 0.00 0.00 57.90 57.33 1sa1 n TYR 432 Cb 0.35 -0.10 0.72 0.00 -1.03 0.00 0.00 39.34 39.28 1sa1 n TYR 432 CO 0.00 0.00 0.00 1.49 -1.02 0.00 0.00 176.86 177.33 1sa1 h GLU 433 N 0.00 0.06 -0.80 -0.72 4.81 -1.28 0.07 114.58 116.73 1sa1 h GLU 433 Ca 0.00 -0.00 0.06 0.00 -0.13 0.00 0.00 59.36 59.28 1sa1 h GLU 433 Cb 0.00 -0.01 -0.06 0.00 0.63 0.00 0.00 28.75 29.31 1sa1 h GLU 433 CO 0.00 0.04 0.49 1.49 -0.73 0.00 0.00 179.01 180.30 1sa1 h GLU 434 N 0.06 0.87 -0.89 1.92 4.81 0.22 -1.03 114.58 120.54 1sa1 h GLU 434 Ca 0.79 -0.05 0.11 0.00 -0.13 0.00 0.00 59.36 60.07 1sa1 h GLU 434 Cb 2.83 -0.20 -0.07 0.00 0.63 0.00 0.00 28.75 31.94 1sa1 h GLU 434 CO -0.19 0.58 0.57 0.28 -0.73 0.00 0.00 179.01 179.52 1sa1 h VAL 435 N 0.90 0.94 -1.08 0.32 2.07 -0.54 -3.45 116.25 115.41 1sa1 h VAL 435 Ca 0.35 -0.29 -0.73 0.00 0.82 0.00 0.00 66.70 66.85 1sa1 h VAL 435 Cb 0.16 0.02 0.08 0.00 -1.52 0.00 0.00 31.29 30.03 1sa1 h VAL 435 CO -0.17 0.15 -0.18 0.61 0.02 0.00 0.00 177.57 178.00 1sa1 n GLY 436 N -1.41 -0.90 0.00 2.17 0.00 -0.39 -4.44 105.19 100.21 1sa1 n GLY 436 Ca 0.16 0.56 0.00 0.00 0.00 0.00 0.00 46.02 46.73 1sa1 n GLY 436 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1sa1 n VAL 437 N 0.84 0.00 -2.62 1.61 0.31 -1.26 -4.95 118.33 112.26 1sa1 n VAL 437 Ca 0.19 0.00 -0.22 0.00 -0.01 0.00 0.00 64.34 64.30 1sa1 n VAL 437 Cb 0.17 0.00 0.06 0.00 -0.91 0.00 0.00 33.84 33.16 1sa1 n VAL 437 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 1sa1 s ASP 438 N 0.00 4.96 0.00 4.52 1.11 -1.26 -5.09 116.67 120.90 1sa1 s ASP 438 Ca 0.00 -0.15 0.04 0.00 0.18 0.00 0.00 52.55 52.63 1sa1 s ASP 438 Cb 0.00 -0.55 0.04 0.00 1.07 0.00 0.00 42.92 43.47 1sa1 s ASP 438 CO 0.00 -1.40 0.64 -0.24 1.18 0.00 0.00 175.17 175.36