#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ias s VAL 2 N 0.00 2.33 -0.38 2.03 1.01 -0.33 -4.87 120.40 120.20 3ias s VAL 2 Ca 0.00 -1.42 -0.21 0.00 0.00 0.00 0.00 61.98 60.35 3ias s VAL 2 Cb 0.00 -1.96 0.01 0.00 0.00 0.00 0.00 36.38 34.43 3ias s VAL 2 CO 0.00 0.30 0.68 -0.60 0.00 0.00 0.00 175.10 175.48 3ias s ARG 3 N -1.47 3.61 -0.07 2.72 6.06 -1.26 -1.88 118.95 126.66 3ias s ARG 3 Ca 0.13 0.02 0.01 0.00 -2.50 0.00 0.00 55.73 53.39 3ias s ARG 3 Cb -0.10 -3.84 0.02 0.00 0.06 0.00 0.00 34.95 31.09 3ias s ARG 3 CO 0.04 -0.83 -0.07 0.08 -2.50 0.00 0.00 175.30 172.01 3ias s VAL 4 N 2.85 0.82 -0.28 7.11 1.01 -0.05 -0.14 120.40 131.73 3ias s VAL 4 Ca 0.26 -0.25 -0.13 0.00 0.00 0.00 0.00 61.98 61.86 3ias s VAL 4 Cb -0.14 -0.82 -0.04 0.00 0.00 0.00 0.00 36.38 35.38 3ias s VAL 4 CO 0.17 0.30 0.26 -0.75 0.00 0.00 0.00 175.10 175.08 3ias s LYS 5 N 1.12 3.92 0.00 2.72 2.20 -0.17 0.33 119.74 129.85 3ias s LYS 5 Ca -0.07 -0.23 0.00 0.00 -0.36 0.00 0.00 55.97 55.31 3ias s LYS 5 Cb -0.14 -3.68 0.00 0.00 -1.51 0.00 0.00 37.83 32.50 3ias s LYS 5 CO -0.01 -0.25 0.01 0.28 -0.36 0.00 0.00 175.35 175.02 3ias n VAL 6 N 5.09 0.00 -0.01 4.02 0.31 0.43 -1.65 118.33 126.52 3ias n VAL 6 Ca -0.12 0.07 -0.03 0.00 -0.01 0.00 0.00 64.34 64.25 3ias n VAL 6 Cb 0.51 -0.18 -0.01 0.00 -0.91 0.00 0.00 33.84 33.25 3ias n VAL 6 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 3ias n ASN 7 N -0.10 1.27 0.00 4.52 3.02 -1.26 -2.82 115.26 119.89 3ias n ASN 7 Ca 0.00 0.19 0.00 0.00 -0.03 0.00 0.00 54.58 54.74 3ias n ASN 7 Cb 0.00 -0.46 0.00 0.00 -0.61 0.00 0.00 39.78 38.71 3ias n ASN 7 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 3ias n ASP 8 N -3.71 0.39 -4.79 6.41 5.68 -1.26 -5.01 116.55 114.26 3ias n ASP 8 Ca -0.05 -0.77 -0.34 0.00 -0.50 0.00 0.00 54.79 53.14 3ias n ASP 8 Cb 0.18 0.19 -0.07 0.00 -1.14 0.00 0.00 41.12 40.29 3ias n ASP 8 CO 0.00 0.00 0.00 -0.60 -1.33 0.00 0.00 177.20 175.27 3ias s ARG 9 N -0.19 3.14 -0.10 0.11 3.52 -1.26 -5.10 118.95 119.07 3ias s ARG 9 Ca 0.00 -0.42 0.00 0.00 -0.13 0.00 0.00 55.73 55.19 3ias s ARG 9 Cb 0.00 -2.91 -0.02 0.00 -1.56 0.00 0.00 34.95 30.45 3ias s ARG 9 CO 0.00 0.67 -0.10 0.42 -0.81 0.00 0.00 175.30 175.48 3ias s ILE 10 N -1.15 3.39 -0.01 4.11 1.01 -1.26 -0.43 121.20 126.86 3ias s ILE 10 Ca 0.21 -0.57 0.00 0.00 0.00 0.00 0.00 60.65 60.30 3ias s ILE 10 Cb -0.12 -2.41 0.01 0.00 0.01 0.00 0.00 42.46 39.95 3ias s ILE 10 CO 0.12 0.55 0.00 -0.69 0.00 0.00 0.00 174.94 174.92 3ias s VAL 11 N -0.20 0.03 0.48 2.92 1.01 0.15 -4.97 120.40 119.82 3ias s VAL 11 Ca 0.02 0.03 -0.20 0.00 0.00 0.00 0.00 61.98 61.82 3ias s VAL 11 Cb -0.13 -0.07 -0.09 0.00 0.00 0.00 0.00 36.38 36.09 3ias s VAL 11 CO 0.03 0.04 1.03 -1.61 0.00 0.00 0.00 175.10 174.58 3ias s GLU 12 N 0.27 3.85 -0.29 2.72 0.41 -1.25 -0.87 118.70 123.53 3ias s GLU 12 Ca -0.02 1.34 -0.17 0.00 -0.41 0.00 0.00 54.97 55.71 3ias s GLU 12 Cb -0.04 -2.10 0.18 0.00 -1.78 0.00 0.00 34.13 30.39 3ias s GLU 12 CO -0.01 -0.39 1.12 0.54 -0.49 0.00 0.00 175.26 176.04 3ias s VAL 13 N -2.00 0.00 0.96 2.63 0.11 -0.79 -4.91 120.40 116.40 3ias s VAL 13 Ca 0.67 0.00 -0.15 0.00 -2.93 0.00 0.00 61.98 59.56 3ias s VAL 13 Cb -0.16 -1.00 -0.08 0.00 -1.53 0.00 0.00 36.38 33.61 3ias s VAL 13 CO 0.19 0.00 -0.32 -0.81 -3.33 0.00 0.00 175.10 170.83 3ias n PRO 14 N 3.28 -0.09 -0.06 1.54 -0.04 -1.26 -1.18 135.00 137.19 3ias n PRO 14 Ca -0.17 -0.01 -0.10 0.00 -0.04 0.00 0.00 63.50 63.18 3ias n PRO 14 Cb 0.57 -1.33 -0.03 0.00 -0.04 0.00 0.00 33.50 32.67 3ias n PRO 14 CO 0.00 0.00 0.00 -1.00 -0.04 0.00 0.00 175.50 174.46 3ias h PRO 15 N -1.14 0.30 -1.58 0.54 0.13 -1.94 -3.19 132.00 125.12 3ias h PRO 15 Ca -0.44 -0.03 -0.47 0.00 -0.87 0.00 0.00 66.00 64.19 3ias h PRO 15 Cb 1.30 -0.06 -0.19 0.00 0.13 0.00 0.00 31.00 32.18 3ias h PRO 15 CO 0.28 0.24 0.55 0.41 -0.23 0.00 0.00 178.00 179.25 3ias n GLY 16 N -1.04 4.62 3.87 1.56 0.00 -1.26 -4.49 105.19 108.46 3ias n GLY 16 Ca -0.03 -1.64 -0.32 0.00 0.00 0.00 0.00 46.02 44.02 3ias n GLY 16 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ias s THR 17 N -2.98 4.97 0.13 2.61 2.01 -1.21 -4.52 115.64 116.65 3ias s THR 17 Ca 0.47 0.44 -0.30 0.00 0.31 0.00 0.00 61.69 62.61 3ias s THR 17 Cb 0.35 -3.63 -0.06 0.00 0.01 0.00 0.00 72.50 69.16 3ias s THR 17 CO -0.09 -0.00 1.07 -0.55 -0.69 0.00 0.00 174.62 174.36 3ias s SER 18 N -2.27 7.31 0.43 3.53 0.15 -1.26 -1.55 113.70 120.03 3ias s SER 18 Ca 0.45 1.97 0.18 0.00 0.70 0.00 0.00 55.95 59.25 3ias s SER 18 Cb -0.12 -2.59 1.11 0.00 -1.71 0.00 0.00 66.02 62.70 3ias s SER 18 CO 0.21 -0.22 1.87 0.58 1.20 0.00 0.00 173.24 176.88 3ias h VAL 19 N 4.01 0.69 0.09 4.45 2.07 -0.93 0.28 116.25 126.91 3ias h VAL 19 Ca -0.43 -0.13 -0.00 0.00 0.82 0.00 0.00 66.70 66.95 3ias h VAL 19 Cb 1.21 0.28 0.00 0.00 -1.52 0.00 0.00 31.29 31.26 3ias h VAL 19 CO 0.74 0.07 -0.05 -0.03 0.02 0.00 0.00 177.57 178.32 3ias h MET 20 N 0.38 -0.13 -0.83 1.57 1.85 0.25 -1.43 114.93 116.58 3ias h MET 20 Ca 0.45 0.01 0.24 0.00 -0.61 0.00 0.00 59.70 59.79 3ias h MET 20 Cb 1.14 0.03 -0.03 0.00 0.43 0.00 0.00 31.60 33.17 3ias h MET 20 CO -0.15 -0.09 0.67 -0.44 -0.40 0.00 0.00 176.91 176.50 3ias h ASP 21 N -0.13 0.00 0.41 1.39 5.19 -1.62 0.21 116.42 121.86 3ias h ASP 21 Ca -0.01 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.38 3ias h ASP 21 Cb 0.10 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.61 3ias h ASP 21 CO 0.02 0.00 -0.27 0.00 -3.12 0.00 0.00 179.24 175.87 3ias h ALA 22 N 1.44 -1.08 -0.60 3.45 0.00 -0.16 -0.02 119.26 122.29 3ias h ALA 22 Ca 0.40 -0.13 0.10 0.00 0.00 0.00 0.00 54.91 55.27 3ias h ALA 22 Cb 1.74 0.40 -0.11 0.00 0.00 0.00 0.00 17.79 19.82 3ias h ALA 22 CO -0.00 -1.06 -0.39 0.28 0.00 0.00 0.00 179.25 178.07 3ias h VAL 23 N -0.64 0.12 -0.29 0.00 2.07 0.47 -0.33 116.25 117.64 3ias h VAL 23 Ca -0.05 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.42 3ias h VAL 23 Cb 0.52 0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 30.39 3ias h VAL 23 CO 0.04 0.00 0.00 -0.26 0.02 0.00 0.00 177.57 177.38 3ias h PHE 24 N -0.20 0.45 -0.59 1.57 0.04 -1.29 -1.30 116.94 115.63 3ias h PHE 24 Ca 0.20 -0.04 -0.05 0.00 2.80 0.00 0.00 57.97 60.89 3ias h PHE 24 Cb 0.56 -0.13 -0.02 0.00 2.20 0.00 0.00 35.95 38.55 3ias h PHE 24 CO -0.69 0.45 0.17 1.25 -0.60 0.00 0.00 178.31 178.89 3ias h HIS 25 N 0.43 0.97 0.00 -0.55 2.76 0.48 -1.00 115.15 118.25 3ias h HIS 25 Ca 0.10 -0.11 0.00 0.00 -2.20 0.00 0.00 60.37 58.16 3ias h HIS 25 Cb 0.28 -0.28 0.00 0.00 1.55 0.00 0.00 27.41 28.96 3ias h HIS 25 CO 0.01 0.82 0.00 0.00 -1.30 0.00 0.00 177.93 177.46 3ias h ALA 26 N 1.04 1.00 -0.34 5.26 0.00 -0.34 -3.43 119.26 122.46 3ias h ALA 26 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3ias h ALA 26 Cb 0.32 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.11 3ias h ALA 26 CO -0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 3ias n GLY 27 N -0.44 0.97 0.00 0.00 0.00 -0.38 -5.01 105.19 100.33 3ias n GLY 27 Ca -0.00 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.80 3ias n GLY 27 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3ias n TYR 28 N -0.80 0.00 -3.59 1.61 4.02 -0.56 -5.01 117.16 112.84 3ias n TYR 28 Ca 0.00 0.00 -0.09 0.00 -0.01 0.00 0.00 57.90 57.80 3ias n TYR 28 Cb 0.16 0.00 -0.05 0.00 -0.02 0.00 0.00 39.34 39.43 3ias n TYR 28 CO 0.00 0.00 0.00 0.16 -1.01 0.00 0.00 176.86 176.01 3ias s ASP 29 N 0.50 -0.30 -0.19 7.72 -4.77 -1.26 -4.63 116.67 113.73 3ias s ASP 29 Ca 0.00 0.31 -0.28 0.00 -3.30 0.00 0.00 52.55 49.29 3ias s ASP 29 Cb 0.00 0.25 0.10 0.00 -1.09 0.00 0.00 42.92 42.18 3ias s ASP 29 CO 0.00 -0.29 0.85 0.54 0.70 0.00 0.00 175.17 176.97 3ias s VAL 30 N -1.18 0.00 0.02 2.11 0.11 -1.26 -5.01 120.40 115.19 3ias s VAL 30 Ca 0.01 0.00 -0.32 0.00 -2.93 0.00 0.00 61.98 58.73 3ias s VAL 30 Cb -0.01 -1.00 -0.11 0.00 -1.53 0.00 0.00 36.38 33.73 3ias s VAL 30 CO -0.01 0.00 1.87 -2.65 -3.33 0.00 0.00 175.10 170.98 3ias n PRO 31 N 1.67 2.52 -3.94 1.54 -0.02 -1.26 -4.90 135.00 130.61 3ias n PRO 31 Ca -0.14 0.92 -0.30 0.00 -2.02 0.00 0.00 63.50 61.96 3ias n PRO 31 Cb 0.56 -2.80 -0.16 0.00 -0.02 0.00 0.00 33.50 31.09 3ias n PRO 31 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3ias s LEU 32 N 3.54 2.61 0.00 2.45 1.98 -1.26 -1.69 118.68 126.31 3ias s LEU 32 Ca 0.88 -1.21 0.00 0.00 -2.89 0.00 0.00 54.13 50.91 3ias s LEU 32 Cb -0.57 -1.18 0.00 0.00 0.66 0.00 0.00 46.19 45.10 3ias s LEU 32 CO 0.44 -0.24 0.00 0.49 -1.89 0.00 0.00 176.35 175.15 3ias n PHE 33 N 4.67 0.00 -0.05 5.38 3.01 -1.26 -4.91 117.46 124.29 3ias n PHE 33 Ca -0.11 0.00 -0.03 0.00 1.01 0.00 0.00 57.45 58.32 3ias n PHE 33 Cb 0.44 0.00 -0.11 0.00 -0.01 0.00 0.00 39.48 39.81 3ias n PHE 33 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3ias s SER 35 N -4.37 4.80 -0.17 0.00 0.01 -1.26 -4.54 113.70 108.17 3ias s SER 35 Ca -0.06 1.78 -0.27 0.00 1.31 0.00 0.00 55.95 58.70 3ias s SER 35 Cb 0.05 -2.52 0.07 0.00 0.21 0.00 0.00 66.02 63.84 3ias s SER 35 CO 0.56 -1.83 0.70 -0.70 0.41 0.00 0.00 173.24 172.37 3ias s GLU 36 N -4.88 0.93 -0.32 12.44 2.56 -1.21 -5.05 118.70 123.17 3ias s GLU 36 Ca 0.61 0.66 -0.40 0.00 0.00 0.00 0.00 54.97 55.83 3ias s GLU 36 Cb -0.16 0.45 -0.16 0.00 2.00 0.00 0.00 34.13 36.26 3ias s GLU 36 CO 0.54 -0.20 1.82 1.63 -0.56 0.00 0.00 175.26 178.49 3ias n LYS 37 N 1.89 1.00 -0.89 4.30 5.02 -1.25 -1.57 118.16 126.66 3ias n LYS 37 Ca -0.16 0.35 0.00 0.00 -2.02 0.00 0.00 58.31 56.48 3ias n LYS 37 Cb 0.56 -2.08 0.00 0.00 -0.02 0.00 0.00 35.03 33.49 3ias n LYS 37 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 3ias n HIS 38 N 6.03 0.00 -4.49 2.13 8.25 -1.26 -5.03 115.22 120.85 3ias n HIS 38 Ca 0.31 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.47 3ias n HIS 38 Cb 0.12 0.00 -0.13 0.00 1.12 0.00 0.00 29.99 31.10 3ias n HIS 38 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3ias s LEU 39 N 0.00 2.42 -0.03 2.41 1.43 -0.61 -4.97 118.68 119.34 3ias s LEU 39 Ca 0.00 -0.64 -0.35 0.00 -1.03 0.00 0.00 54.13 52.11 3ias s LEU 39 Cb 0.00 -1.35 -0.13 0.00 0.03 0.00 0.00 46.19 44.74 3ias s LEU 39 CO 0.00 0.20 1.74 -1.54 0.23 0.00 0.00 176.35 176.98 3ias n SER 40 N 1.10 3.10 -4.74 2.29 3.41 -1.26 -4.39 113.62 113.13 3ias n SER 40 Ca -0.17 1.03 -0.41 0.00 -0.26 0.00 0.00 58.87 59.05 3ias n SER 40 Cb 0.53 -1.35 -0.03 0.00 -0.26 0.00 0.00 64.21 63.10 3ias n SER 40 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 3ias s PRO 41 N 2.87 4.39 0.05 4.33 0.04 -1.25 -4.84 135.00 140.58 3ias s PRO 41 Ca 0.89 2.08 0.03 0.00 0.04 0.00 0.00 61.00 64.03 3ias s PRO 41 Cb -0.75 -3.17 -0.03 0.00 0.04 0.00 0.00 34.50 30.59 3ias s PRO 41 CO 0.49 -0.24 -0.09 0.42 0.04 0.00 0.00 177.00 177.63 3ias s ILE 42 N -0.09 0.63 -1.29 0.56 1.09 -1.26 -4.78 121.20 116.07 3ias s ILE 42 Ca 0.55 -1.16 -0.13 0.00 -1.10 0.00 0.00 60.65 58.81 3ias s ILE 42 Cb -0.37 -0.74 0.14 0.00 -1.06 0.00 0.00 42.46 40.43 3ias s ILE 42 CO 0.40 -0.39 1.77 0.61 -0.10 0.00 0.00 174.94 177.24 3ias n GLY 43 N 1.35 3.97 0.00 6.18 0.00 -1.26 -4.68 105.19 110.75 3ias n GLY 43 Ca -0.22 -1.90 0.00 0.00 0.00 0.00 0.00 46.02 43.90 3ias n GLY 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ias n ALA 44 N 5.40 0.00 0.06 4.61 0.00 -1.26 -4.53 120.51 124.79 3ias n ALA 44 Ca 0.42 -0.07 -0.04 0.00 0.00 0.00 0.00 53.44 53.74 3ias n ALA 44 Cb 0.40 0.00 0.17 0.00 0.00 0.00 0.00 19.45 20.02 3ias n ALA 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ias n ARG 46 N -4.00 -0.27 -0.01 0.00 1.74 -1.26 -4.99 116.66 107.87 3ias n ARG 46 Ca -0.02 0.03 -0.22 0.00 -0.77 0.00 0.00 57.85 56.88 3ias n ARG 46 Cb 0.51 -2.81 -0.14 0.00 -1.02 0.00 0.00 32.46 29.01 3ias n ARG 46 CO 0.00 0.00 0.00 0.52 -1.52 0.00 0.00 177.63 176.63 3ias h MET 47 N -0.09 0.23 -1.56 5.56 2.86 -1.93 -3.38 114.93 116.62 3ias h MET 47 Ca -0.02 -0.40 0.00 0.00 -2.06 0.00 0.00 59.70 57.22 3ias h MET 47 Cb 1.01 0.15 0.00 0.00 0.06 0.00 0.00 31.60 32.82 3ias h MET 47 CO 0.02 1.19 0.00 0.00 1.06 0.00 0.00 176.91 179.18 3ias s LEU 49 N 0.00 3.73 0.34 0.00 1.43 -1.25 -1.04 118.68 121.88 3ias s LEU 49 Ca 0.00 2.62 -0.02 0.00 -1.03 0.00 0.00 54.13 55.70 3ias s LEU 49 Cb 0.00 -4.46 -0.00 0.00 0.03 0.00 0.00 46.19 41.76 3ias s LEU 49 CO 0.00 -1.69 0.45 0.68 0.23 0.00 0.00 176.35 176.01 3ias s VAL 50 N -1.40 0.00 0.12 -1.59 -7.23 -0.23 -4.83 120.40 105.24 3ias s VAL 50 Ca 0.76 -1.64 0.08 0.00 -1.81 0.00 0.00 61.98 59.37 3ias s VAL 50 Cb -0.37 -2.61 -0.04 0.00 0.56 0.00 0.00 36.38 33.92 3ias s VAL 50 CO 0.41 0.00 -0.11 -0.60 -0.31 0.00 0.00 175.10 174.50 3ias s ARG 51 N -3.15 2.08 -0.01 4.82 3.52 -1.02 -0.77 118.95 124.42 3ias s ARG 51 Ca 0.31 -1.08 0.01 0.00 -0.13 0.00 0.00 55.73 54.84 3ias s ARG 51 Cb 0.00 -2.26 0.01 0.00 -1.56 0.00 0.00 34.95 31.14 3ias s ARG 51 CO 0.20 0.49 -0.01 0.42 -0.81 0.00 0.00 175.30 175.60 3ias s ILE 52 N -1.29 0.16 0.10 4.11 1.01 -1.26 -1.99 121.20 122.03 3ias s ILE 52 Ca 0.22 -0.01 0.10 0.00 0.00 0.00 0.00 60.65 60.96 3ias s ILE 52 Cb -0.11 -0.19 -0.04 0.00 0.01 0.00 0.00 42.46 42.14 3ias s ILE 52 CO 0.14 0.08 -0.27 -0.83 0.00 0.00 0.00 174.94 174.06 3ias s GLY 53 N 0.38 1.51 -0.45 6.18 0.00 -0.43 -0.45 107.32 114.06 3ias s GLY 53 Ca -0.03 -1.39 0.07 0.00 0.00 0.00 0.00 44.72 43.36 3ias s GLY 53 CO -0.01 -1.34 1.01 -0.10 0.00 0.00 0.00 173.10 172.66 3ias n LEU 54 N 1.23 -1.86 0.23 0.66 7.94 -0.99 -1.58 117.00 122.64 3ias n LEU 54 Ca -0.18 -3.88 0.00 0.00 -1.11 0.00 0.00 56.01 50.84 3ias n LEU 54 Cb 0.53 0.88 0.00 0.00 0.53 0.00 0.00 43.42 45.36 3ias n LEU 54 CO 0.23 2.10 0.00 -0.81 -1.11 0.00 0.00 177.39 177.80 3ias n PRO 55 N 0.57 0.00 -2.35 1.96 -0.04 -1.26 -4.80 135.00 129.08 3ias n PRO 55 Ca 0.10 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.13 3ias n PRO 55 Cb 0.68 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 34.11 3ias n PRO 55 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3ias s ILE 73 N -2.00 3.84 -0.15 0.52 1.01 -1.26 -5.04 121.20 118.12 3ias s ILE 73 Ca 0.00 0.81 -0.00 0.00 0.00 0.00 0.00 60.65 61.46 3ias s ILE 73 Cb 0.00 -4.27 0.03 0.00 0.01 0.00 0.00 42.46 38.24 3ias s ILE 73 CO 0.00 -0.90 -0.08 -1.10 0.00 0.00 0.00 174.94 172.86 3ias s GLN 74 N 5.20 1.69 -0.32 2.79 -0.21 -1.26 -5.12 119.66 122.43 3ias s GLN 74 Ca 0.59 -0.51 -0.27 0.00 0.02 0.00 0.00 55.36 55.19 3ias s GLN 74 Cb -0.13 -1.98 0.01 0.00 1.00 0.00 0.00 33.01 31.92 3ias s GLN 74 CO 0.30 -0.36 0.99 -1.58 -2.12 0.00 0.00 175.29 172.52 3ias s TRP 75 N 1.59 3.16 0.38 0.91 0.23 -1.26 -2.35 118.94 121.61 3ias s TRP 75 Ca 0.02 1.07 -0.25 0.00 -2.03 0.00 0.00 56.10 54.91 3ias s TRP 75 Cb -0.14 -3.55 -0.12 0.00 0.03 0.00 0.00 33.47 29.69 3ias s TRP 75 CO -0.08 -0.71 0.97 1.04 0.96 0.00 0.00 176.95 179.12 3ias n GLN 76 N 6.67 1.29 -0.03 4.98 1.13 0.40 -4.92 117.38 126.89 3ias n GLN 76 Ca 0.09 0.46 -0.13 0.00 -1.94 0.00 0.00 57.00 55.48 3ias n GLN 76 Cb 0.47 -1.94 -0.09 0.00 0.11 0.00 0.00 30.24 28.79 3ias n GLN 76 CO 0.00 0.00 0.00 -1.35 -1.44 0.00 0.00 177.06 174.27 3ias h PRO 77 N 1.60 0.17 -6.12 -1.09 0.11 -1.95 -3.44 132.00 121.27 3ias h PRO 77 Ca -0.43 -0.10 -0.66 0.00 0.11 0.00 0.00 66.00 64.92 3ias h PRO 77 Cb 1.34 0.01 -0.13 0.00 0.11 0.00 0.00 31.00 32.33 3ias h PRO 77 CO 0.57 0.65 -0.63 -1.59 -0.21 0.00 0.00 178.00 176.79 3ias s LYS 78 N -4.10 2.83 0.71 1.05 -2.85 -1.26 -5.10 119.74 111.03 3ias s LYS 78 Ca -0.15 -0.58 -0.16 0.00 -1.00 0.00 0.00 55.97 54.07 3ias s LYS 78 Cb 0.03 -2.70 0.02 0.00 -2.06 0.00 0.00 37.83 33.12 3ias s LYS 78 CO 0.71 0.63 1.24 1.28 0.10 0.00 0.00 175.35 179.31 3ias n LEU 79 N 1.40 5.29 -4.59 2.77 4.77 -1.26 -4.83 117.00 120.56 3ias n LEU 79 Ca -0.15 0.74 -0.26 0.00 -0.03 0.00 0.00 56.01 56.31 3ias n LEU 79 Cb 0.53 -1.53 -0.09 0.00 -2.33 0.00 0.00 43.42 40.00 3ias n LEU 79 CO 0.34 -1.32 -0.39 0.00 -1.33 0.00 0.00 177.39 174.69 3ias s ALA 80 N -1.66 3.00 -0.82 -1.18 0.00 0.05 -4.87 121.76 116.28 3ias s ALA 80 Ca 0.79 -1.53 -0.25 0.00 0.00 0.00 0.00 51.96 50.97 3ias s ALA 80 Cb -0.35 -0.73 0.05 0.00 0.00 0.00 0.00 23.12 22.08 3ias s ALA 80 CO 0.44 0.41 1.28 0.00 0.00 0.00 0.00 175.76 177.89 3ias s ALA 81 N -1.90 2.82 0.33 0.00 0.00 -1.26 -1.06 121.76 120.69 3ias s ALA 81 Ca 0.27 -1.77 0.21 0.00 0.00 0.00 0.00 51.96 50.67 3ias s ALA 81 Cb -0.08 -4.28 1.14 0.00 0.00 0.00 0.00 23.12 19.90 3ias s ALA 81 CO 0.16 -3.30 1.59 0.66 0.00 0.00 0.00 175.76 174.88 3ias h SER 82 N 9.83 0.00 0.57 0.00 4.64 -1.41 -0.05 113.55 127.13 3ias h SER 82 Ca -0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.20 3ias h SER 82 Cb 1.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.13 3ias h SER 82 CO 1.30 0.00 -0.39 0.00 -0.87 0.00 0.00 176.83 176.87 3ias n VAL 84 N -1.44 0.00 -3.46 0.00 0.24 -0.07 -4.79 118.33 108.81 3ias n VAL 84 Ca 0.06 -0.29 -0.37 0.00 -2.04 0.00 0.00 64.34 61.70 3ias n VAL 84 Cb 0.33 1.30 -0.06 0.00 -1.47 0.00 0.00 33.84 33.94 3ias n VAL 84 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 3ias s THR 85 N -0.16 5.22 0.44 3.34 2.01 -0.96 -5.02 115.64 120.52 3ias s THR 85 Ca 0.00 0.73 -0.11 0.00 0.31 0.00 0.00 61.69 62.62 3ias s THR 85 Cb 0.00 -3.70 -0.06 0.00 0.01 0.00 0.00 72.50 68.74 3ias s THR 85 CO 0.00 0.41 0.82 0.00 -0.69 0.00 0.00 174.62 175.16 3ias s ALA 86 N 0.19 3.29 0.39 7.40 0.00 -1.26 -1.13 121.76 130.64 3ias s ALA 86 Ca 0.21 -0.16 -0.23 0.00 0.00 0.00 0.00 51.96 51.77 3ias s ALA 86 Cb -0.14 -2.78 -0.10 0.00 0.00 0.00 0.00 23.12 20.09 3ias s ALA 86 CO 0.08 -0.13 0.98 0.14 0.00 0.00 0.00 175.76 176.83 3ias s VAL 87 N -2.50 4.14 0.17 0.00 -7.23 -0.60 -4.72 120.40 109.66 3ias s VAL 87 Ca 0.52 1.55 0.07 0.00 -1.81 0.00 0.00 61.98 62.31 3ias s VAL 87 Cb -0.10 -3.76 -0.04 0.00 0.56 0.00 0.00 36.38 33.04 3ias s VAL 87 CO 0.34 -0.08 -0.15 0.00 -0.31 0.00 0.00 175.10 174.91 3ias s ALA 88 N -1.85 1.83 0.26 1.32 0.00 -1.26 -4.81 121.76 117.25 3ias s ALA 88 Ca 0.57 -1.52 -0.30 0.00 0.00 0.00 0.00 51.96 50.71 3ias s ALA 88 Cb -0.16 -0.09 -0.11 0.00 0.00 0.00 0.00 23.12 22.76 3ias s ALA 88 CO 0.20 0.09 1.57 0.34 0.00 0.00 0.00 175.76 177.97 3ias s ASP 89 N -2.96 6.45 -0.83 0.00 -1.08 -1.26 -3.25 116.67 113.75 3ias s ASP 89 Ca 0.17 2.85 -0.01 0.00 -0.52 0.00 0.00 52.55 55.04 3ias s ASP 89 Cb -0.02 -2.62 -0.02 0.00 -1.46 0.00 0.00 42.92 38.80 3ias s ASP 89 CO 0.05 -0.87 0.70 0.61 0.52 0.00 0.00 175.17 176.19 3ias n GLY 90 N 2.55 -0.28 3.36 2.66 0.00 0.81 -4.97 105.19 109.33 3ias n GLY 90 Ca 0.09 0.07 -0.33 0.00 0.00 0.00 0.00 46.02 45.85 3ias n GLY 90 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3ias s MET 91 N -4.67 3.38 -0.12 1.61 0.00 -1.20 -4.33 119.30 113.97 3ias s MET 91 Ca 0.10 -0.68 -0.12 0.00 0.00 0.00 0.00 55.69 54.99 3ias s MET 91 Cb -0.01 -2.66 -0.05 0.00 0.00 0.00 0.00 34.83 32.11 3ias s MET 91 CO 0.53 0.17 0.27 0.08 0.00 0.00 0.00 175.02 176.07 3ias s VAL 92 N 0.47 5.30 -0.35 10.11 1.01 -0.61 -1.00 120.40 135.31 3ias s VAL 92 Ca -0.09 0.51 0.01 0.00 0.00 0.00 0.00 61.98 62.41 3ias s VAL 92 Cb -0.16 -3.59 0.11 0.00 0.00 0.00 0.00 36.38 32.75 3ias s VAL 92 CO 0.04 0.49 0.13 -0.69 0.00 0.00 0.00 175.10 175.07 3ias s VAL 93 N -0.23 1.35 -0.22 2.92 1.01 -0.66 -1.32 120.40 123.25 3ias s VAL 93 Ca 0.17 -1.94 -0.29 0.00 0.00 0.00 0.00 61.98 59.92 3ias s VAL 93 Cb -0.13 -2.00 0.01 0.00 0.00 0.00 0.00 36.38 34.26 3ias s VAL 93 CO 0.06 -0.72 1.05 -0.62 0.00 0.00 0.00 175.10 174.87 3ias s ASP 94 N 1.10 7.10 -0.15 3.32 2.15 -0.84 -4.09 116.67 125.25 3ias s ASP 94 Ca 0.12 1.40 0.18 0.00 0.43 0.00 0.00 52.55 54.68 3ias s ASP 94 Cb -0.20 -2.54 0.39 0.00 -0.30 0.00 0.00 42.92 40.27 3ias s ASP 94 CO -0.15 -0.67 1.26 0.35 -0.17 0.00 0.00 175.17 175.80 3ias n THR 95 N 5.30 2.06 0.00 1.71 -2.24 -1.26 -2.44 114.28 117.41 3ias n THR 95 Ca 0.12 -2.13 0.00 0.00 -2.27 0.00 0.00 64.05 59.77 3ias n THR 95 Cb 0.46 -0.25 0.00 0.00 -2.10 0.00 0.00 70.33 68.44 3ias n THR 95 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3ias n LEU 96 N -1.07 0.00 -4.33 3.22 4.32 -1.26 -4.86 117.00 113.01 3ias n LEU 96 Ca 0.18 0.00 -0.42 0.00 -0.02 0.00 0.00 56.01 55.75 3ias n LEU 96 Cb 0.74 0.00 -0.00 0.00 -1.62 0.00 0.00 43.42 42.54 3ias n LEU 96 CO 0.07 0.00 -0.33 -1.20 -1.22 0.00 0.00 177.39 174.71 3ias n SER 97 N -0.82 -2.45 -0.22 -1.43 7.64 -1.26 -4.61 113.62 110.47 3ias n SER 97 Ca 0.00 0.83 0.01 0.00 1.01 0.00 0.00 58.87 60.72 3ias n SER 97 Cb 0.01 -0.93 0.13 0.00 -1.01 0.00 0.00 64.21 62.40 3ias n SER 97 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 3ias h ASP 98 N 0.41 0.28 -0.91 6.43 3.32 -1.99 -1.30 116.42 122.66 3ias h ASP 98 Ca -0.38 0.08 0.19 0.00 0.02 0.00 0.00 57.03 56.94 3ias h ASP 98 Cb 1.44 0.05 -0.11 0.00 0.22 0.00 0.00 39.33 40.93 3ias h ASP 98 CO 0.48 0.15 0.47 0.58 -1.72 0.00 0.00 179.24 179.20 3ias h VAL 99 N 0.45 0.63 0.25 -1.35 2.07 -1.99 0.29 116.25 116.60 3ias h VAL 99 Ca 0.33 -0.20 -0.01 0.00 0.82 0.00 0.00 66.70 67.64 3ias h VAL 99 Cb 0.42 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.19 3ias h VAL 99 CO -0.32 0.11 -0.12 0.58 0.02 0.00 0.00 177.57 177.84 3ias h VAL 100 N 0.58 0.67 -0.35 2.57 2.07 -1.60 -2.80 116.25 117.39 3ias h VAL 100 Ca 0.53 -0.87 0.07 0.00 0.82 0.00 0.00 66.70 67.24 3ias h VAL 100 Cb 0.87 1.07 -0.06 0.00 -1.52 0.00 0.00 31.29 31.65 3ias h VAL 100 CO -0.43 0.15 -0.06 0.03 0.02 0.00 0.00 177.57 177.28 3ias h ARG 101 N -0.87 0.02 -0.86 1.57 3.08 -0.83 0.35 114.38 116.84 3ias h ARG 101 Ca -0.03 -0.00 0.20 0.00 0.07 0.00 0.00 59.98 60.21 3ias h ARG 101 Cb 0.51 -0.01 -0.06 0.00 0.08 0.00 0.00 29.97 30.50 3ias h ARG 101 CO 0.06 0.02 0.58 1.49 -1.07 0.00 0.00 179.97 181.04 3ias h GLU 102 N 0.02 0.33 -0.02 0.04 4.81 -0.51 0.52 114.58 119.77 3ias h GLU 102 Ca 0.17 -0.02 -0.10 0.00 -0.13 0.00 0.00 59.36 59.28 3ias h GLU 102 Cb 0.25 -0.07 0.01 0.00 0.63 0.00 0.00 28.75 29.56 3ias h GLU 102 CO -0.34 0.22 -0.37 0.00 -0.73 0.00 0.00 179.01 177.79 3ias h ALA 103 N 1.61 0.08 -0.45 2.92 0.00 -0.69 -2.56 119.26 120.17 3ias h ALA 103 Ca 0.44 -0.49 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 3ias h ALA 103 Cb 1.18 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.96 3ias h ALA 103 CO -0.14 0.19 0.24 1.96 0.00 0.00 0.00 179.25 181.50 3ias h GLN 104 N -0.28 0.64 -0.53 0.00 4.20 -0.49 -0.03 115.11 118.62 3ias h GLN 104 Ca -0.04 -0.08 0.09 0.00 0.06 0.00 0.00 58.65 58.67 3ias h GLN 104 Cb 1.08 -0.12 -0.10 0.00 0.30 0.00 0.00 27.48 28.63 3ias h GLN 104 CO 0.07 0.52 -0.41 0.00 -0.67 0.00 0.00 178.83 178.34 3ias h ALA 105 N 1.09 -0.30 -0.51 3.87 0.00 -0.99 0.19 119.26 122.61 3ias h ALA 105 Ca 0.16 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 3ias h ALA 105 Cb 0.07 0.91 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 3ias h ALA 105 CO -0.02 -0.81 0.30 0.78 0.00 0.00 0.00 179.25 179.49 3ias h GLY 106 N -0.24 0.75 1.01 0.00 0.00 -1.09 -0.97 103.07 102.53 3ias h GLY 106 Ca 0.18 -0.32 -0.01 0.00 0.00 0.00 0.00 47.33 47.17 3ias h GLY 106 CO -0.65 0.31 0.48 1.98 0.00 0.00 0.00 176.54 178.66 3ias h MET 107 N 0.68 1.11 -0.41 4.80 -1.53 0.32 -0.38 114.93 119.53 3ias h MET 107 Ca 0.18 -0.11 0.00 0.00 -3.44 0.00 0.00 59.70 56.34 3ias h MET 107 Cb 0.02 -0.23 -0.02 0.00 -0.55 0.00 0.00 31.60 30.82 3ias h MET 107 CO -0.03 0.80 0.27 0.28 0.14 0.00 0.00 176.91 178.36 3ias h VAL 108 N 1.12 1.11 -0.99 -5.77 2.07 -0.50 -1.23 116.25 112.06 3ias h VAL 108 Ca 0.29 -0.19 0.17 0.00 0.82 0.00 0.00 66.70 67.78 3ias h VAL 108 Cb -0.02 0.51 -0.09 0.00 -1.52 0.00 0.00 31.29 30.17 3ias h VAL 108 CO -0.05 0.10 0.62 -0.08 0.02 0.00 0.00 177.57 178.18 3ias h GLU 109 N 0.55 0.78 -0.24 1.57 4.81 0.28 -1.03 114.58 121.30 3ias h GLU 109 Ca 0.15 -0.05 -0.13 0.00 -0.13 0.00 0.00 59.36 59.20 3ias h GLU 109 Cb -0.06 -0.18 -0.00 0.00 0.63 0.00 0.00 28.75 29.14 3ias h GLU 109 CO -0.03 0.52 -0.37 0.74 -0.73 0.00 0.00 179.01 179.13 3ias h PHE 110 N 0.80 0.83 -0.79 0.92 0.04 -0.63 -1.31 116.94 116.80 3ias h PHE 110 Ca 0.54 -0.28 0.04 0.00 2.80 0.00 0.00 57.97 61.07 3ias h PHE 110 Cb 0.79 -0.16 -0.05 0.00 2.20 0.00 0.00 35.95 38.72 3ias h PHE 110 CO -0.00 1.04 0.50 1.15 -0.60 0.00 0.00 178.31 180.39 3ias h THR 111 N 0.38 1.08 0.00 -1.55 2.02 -0.26 -2.54 112.91 112.04 3ias h THR 111 Ca 0.02 -0.32 0.00 0.00 0.77 0.00 0.00 66.41 66.88 3ias h THR 111 Cb 0.96 0.06 0.00 0.00 -1.74 0.00 0.00 68.15 67.43 3ias h THR 111 CO 0.08 0.17 0.00 -0.07 0.37 0.00 0.00 175.52 176.08 3ias h LEU 112 N 0.94 0.00 -0.90 2.58 3.38 -1.09 -3.37 115.31 116.86 3ias h LEU 112 Ca 0.33 0.00 0.25 0.00 0.09 0.00 0.00 57.88 58.55 3ias h LEU 112 Cb 0.08 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 40.68 3ias h LEU 112 CO -0.14 0.00 0.26 0.25 0.09 0.00 0.00 178.44 178.90 3ias h LEU 113 N 0.00 0.02 -1.73 1.67 5.85 -0.78 -2.68 115.31 117.65 3ias h LEU 113 Ca 0.00 0.21 0.00 0.00 0.84 0.00 0.00 57.88 58.93 3ias h LEU 113 Cb 0.85 0.27 0.00 0.00 0.37 0.00 0.00 40.66 42.15 3ias h LEU 113 CO 0.00 -0.18 0.00 0.59 -0.34 0.00 0.00 178.44 178.51 3ias n ASN 114 N -5.23 2.06 -4.69 1.25 3.02 -1.26 -4.87 115.26 105.54 3ias n ASN 114 Ca 0.23 -1.55 -0.31 0.00 -0.03 0.00 0.00 54.58 52.93 3ias n ASN 114 Cb 0.74 -0.05 0.15 0.00 -0.61 0.00 0.00 39.78 40.01 3ias n ASN 114 CO 0.00 0.00 0.00 -2.28 -2.62 0.00 0.00 177.26 172.36 3ias s HIS 115 N -0.87 1.94 -1.22 3.10 2.46 -1.01 -3.87 115.29 115.82 3ias s HIS 115 Ca 0.14 1.62 0.25 0.00 0.47 0.00 0.00 55.06 57.53 3ias s HIS 115 Cb 0.09 -3.22 0.50 0.00 -0.13 0.00 0.00 32.58 29.83 3ias s HIS 115 CO 0.13 -2.58 1.41 -0.35 -2.47 0.00 0.00 174.74 170.88 3ias n PRO 116 N -4.06 0.25 -2.67 2.88 -0.04 -1.26 -4.89 135.00 125.20 3ias n PRO 116 Ca 0.10 -0.15 -0.08 0.00 -0.04 0.00 0.00 63.50 63.33 3ias n PRO 116 Cb 0.53 -1.50 0.03 0.00 -0.04 0.00 0.00 33.50 32.53 3ias n PRO 116 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3ias n LEU 117 N -1.25 -2.75 -0.05 1.53 4.77 -1.26 -4.98 117.00 113.01 3ias n LEU 117 Ca 0.07 -0.24 0.00 0.00 -0.03 0.00 0.00 56.01 55.81 3ias n LEU 117 Cb 0.34 -1.54 -0.13 0.00 -2.33 0.00 0.00 43.42 39.75 3ias n LEU 117 CO 0.33 0.18 -0.88 0.47 -1.33 0.00 0.00 177.39 176.17 3ias n ASP 118 N -1.44 0.98 0.00 -1.43 8.00 -1.26 -4.86 116.55 116.53 3ias n ASP 118 Ca -0.08 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.42 3ias n ASP 118 Cb 0.56 1.34 0.00 0.00 -0.02 0.00 0.00 41.12 42.99 3ias n ASP 118 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3ias h PRO 120 N 0.00 0.67 0.00 0.00 0.13 -1.99 -0.44 132.00 130.37 3ias h PRO 120 Ca 0.00 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.09 3ias h PRO 120 Cb 0.00 -0.15 0.00 0.00 0.13 0.00 0.00 31.00 30.98 3ias h PRO 120 CO 0.00 0.44 -0.89 0.00 -0.23 0.00 0.00 178.00 177.32 3ias h THR 121 N 0.69 0.00 -3.18 1.56 1.03 0.15 -3.47 112.91 109.69 3ias h THR 121 Ca 0.56 -0.87 -0.54 0.00 -0.01 0.00 0.00 66.41 65.56 3ias h THR 121 Cb 0.98 1.39 -0.00 0.00 -1.07 0.00 0.00 68.15 69.45 3ias h THR 121 CO -0.34 0.00 0.58 0.00 -0.01 0.00 0.00 175.52 175.75 3ias n ASP 123 N 4.16 0.00 0.00 0.00 2.03 -1.26 -2.51 116.55 118.97 3ias n ASP 123 Ca 0.09 -0.11 0.10 0.00 0.52 0.00 0.00 54.79 55.39 3ias n ASP 123 Cb 0.46 -0.21 0.52 0.00 -0.72 0.00 0.00 41.12 41.17 3ias n ASP 123 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 3ias n LYS 124 N -1.21 0.24 0.00 -0.67 0.00 -1.26 -4.79 118.16 110.47 3ias n LYS 124 Ca 0.09 0.10 0.00 0.00 0.00 0.00 0.00 58.31 58.50 3ias n LYS 124 Cb 0.12 -1.50 0.00 0.00 0.00 0.00 0.00 35.03 33.65 3ias n LYS 124 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3ias n GLY 125 N 0.57 0.77 1.37 3.14 0.00 -1.04 -1.96 105.19 108.04 3ias n GLY 125 Ca 0.09 -0.69 -0.07 0.00 0.00 0.00 0.00 46.02 45.35 3ias n GLY 125 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ias n GLY 126 N 0.00 2.77 2.25 -0.02 0.00 -1.26 -3.94 105.19 104.98 3ias n GLY 126 Ca 0.00 -0.35 -0.21 0.00 0.00 0.00 0.00 46.02 45.46 3ias n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ias n ALA 127 N -0.03 4.65 -3.47 4.61 0.00 -0.83 -4.98 120.51 120.46 3ias n ALA 127 Ca 0.19 -3.74 -0.33 0.00 0.00 0.00 0.00 53.44 49.56 3ias n ALA 127 Cb 0.87 -0.46 -0.16 0.00 0.00 0.00 0.00 19.45 19.69 3ias n ALA 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ias h GLU 129 N 7.18 0.00 0.05 0.00 5.08 -1.57 -2.88 114.58 122.44 3ias h GLU 129 Ca -0.30 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.06 3ias h GLU 129 Cb 1.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.45 3ias h GLU 129 CO 0.55 0.13 -0.02 1.25 -1.00 0.00 0.00 179.01 179.92 3ias h LEU 130 N 0.00 -0.06 0.05 1.33 5.85 -1.96 -2.74 115.31 117.78 3ias h LEU 130 Ca -0.00 -0.55 0.00 0.00 0.84 0.00 0.00 57.88 58.17 3ias h LEU 130 Cb 0.43 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.47 3ias h LEU 130 CO 0.02 0.55 -0.13 1.56 -0.34 0.00 0.00 178.44 180.09 3ias h GLN 131 N -0.70 -0.20 -0.67 1.25 4.20 -1.89 0.46 115.11 117.57 3ias h GLN 131 Ca -0.01 0.01 0.09 0.00 0.06 0.00 0.00 58.65 58.81 3ias h GLN 131 Cb 0.60 0.04 -0.11 0.00 0.30 0.00 0.00 27.48 28.31 3ias h GLN 131 CO 0.01 -0.13 -0.47 -0.44 -0.67 0.00 0.00 178.83 177.13 3ias h ASP 132 N -0.20 -1.63 -0.06 1.46 5.19 -1.61 0.92 116.42 120.48 3ias h ASP 132 Ca -0.00 0.27 -0.02 0.00 -0.62 0.00 0.00 57.03 56.65 3ias h ASP 132 Cb 0.20 0.74 -0.01 0.00 0.18 0.00 0.00 39.33 40.44 3ias h ASP 132 CO -0.06 -0.32 -0.00 0.03 -3.12 0.00 0.00 179.24 175.76 3ias h ARG 133 N -0.19 0.18 -0.06 3.56 -0.00 -1.43 0.65 114.38 117.10 3ias h ARG 133 Ca 0.18 -0.02 0.01 0.00 -0.50 0.00 0.00 59.98 59.66 3ias h ARG 133 Cb 0.55 -0.04 -0.01 0.00 0.00 0.00 0.00 29.97 30.47 3ias h ARG 133 CO -0.75 0.21 -0.03 1.15 0.00 0.00 0.00 179.97 180.55 3ias h THR 134 N 0.18 0.91 -0.27 2.04 2.02 0.31 0.42 112.91 118.53 3ias h THR 134 Ca 0.05 0.00 -0.10 0.00 0.77 0.00 0.00 66.41 67.12 3ias h THR 134 Cb 0.14 0.91 -0.00 0.00 -1.74 0.00 0.00 68.15 67.46 3ias h THR 134 CO 0.00 0.00 -0.23 0.58 0.37 0.00 0.00 175.52 176.24 3ias h VAL 135 N -0.02 1.31 0.17 3.16 2.07 -0.74 0.24 116.25 122.44 3ias h VAL 135 Ca 0.03 -1.38 0.00 0.00 0.82 0.00 0.00 66.70 66.17 3ias h VAL 135 Cb 0.07 1.60 -0.01 0.00 -1.52 0.00 0.00 31.29 31.43 3ias h VAL 135 CO -0.07 0.44 -0.16 -0.33 0.02 0.00 0.00 177.57 177.47 3ias h GLU 136 N 0.36 -0.34 0.00 1.57 5.08 0.49 -3.38 114.58 118.36 3ias h GLU 136 Ca 0.05 0.02 -0.08 0.00 -1.00 0.00 0.00 59.36 58.35 3ias h GLU 136 Cb 0.78 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 30.10 3ias h GLU 136 CO 0.06 -0.22 -1.44 0.66 -1.00 0.00 0.00 179.01 177.07 3ias n TYR 137 N -5.28 0.00 -0.28 4.33 4.02 0.12 -5.06 117.16 115.02 3ias n TYR 137 Ca -0.08 0.00 -0.30 0.00 -0.01 0.00 0.00 57.90 57.51 3ias n TYR 137 Cb 0.20 -0.29 0.29 0.00 -0.02 0.00 0.00 39.34 39.52 3ias n TYR 137 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 176.86 176.05 3ias s GLY 138 N -3.52 1.40 -0.18 2.72 0.00 0.07 -4.43 107.32 103.38 3ias s GLY 138 Ca -0.03 -0.72 -0.00 0.00 0.00 0.00 0.00 44.72 43.97 3ias s GLY 138 CO 0.30 0.28 0.00 1.04 0.00 0.00 0.00 173.10 174.73 3ias n LEU 139 N -5.71 -6.21 -4.73 0.66 4.77 -1.26 -4.91 117.00 99.62 3ias n LEU 139 Ca 0.11 1.05 -0.41 0.00 -0.03 0.00 0.00 56.01 56.72 3ias n LEU 139 Cb 0.59 -2.63 -0.04 0.00 -2.33 0.00 0.00 43.42 39.01 3ias n LEU 139 CO 0.44 -2.53 0.77 -0.47 -1.33 0.00 0.00 177.39 174.27 3ias s TYR 140 N -1.35 3.62 -0.41 -1.77 5.04 -1.26 -5.00 117.35 116.22 3ias s TYR 140 Ca -0.01 1.60 -0.21 0.00 -2.44 0.00 0.00 57.07 56.01 3ias s TYR 140 Cb 0.00 -3.24 0.02 0.00 0.35 0.00 0.00 41.96 39.09 3ias s TYR 140 CO 0.47 -0.49 0.67 -2.00 -1.34 0.00 0.00 175.55 172.86 3ias s GLU 141 N 0.19 3.45 0.16 4.97 2.12 -1.26 -5.04 118.70 123.28 3ias s GLU 141 Ca 0.51 -0.17 -0.04 0.00 0.36 0.00 0.00 54.97 55.63 3ias s GLU 141 Cb -0.27 -3.90 -0.05 0.00 0.26 0.00 0.00 34.13 30.17 3ias s GLU 141 CO 0.32 -0.94 0.39 -1.59 -0.54 0.00 0.00 175.26 172.90 3ias s LYS 142 N 2.88 3.61 -0.30 4.30 -2.85 -1.26 -5.09 119.74 121.04 3ias s LYS 142 Ca 0.25 -0.10 0.02 0.00 -1.00 0.00 0.00 55.97 55.13 3ias s LYS 142 Cb -0.14 -2.83 0.19 0.00 -2.06 0.00 0.00 37.83 33.00 3ias s LYS 142 CO 0.18 0.44 0.60 0.71 0.10 0.00 0.00 175.35 177.38 3ias s TYR 143 N -1.71 -1.71 0.00 1.78 4.12 -1.26 -5.27 117.35 113.29 3ias s TYR 143 Ca 0.41 1.43 0.00 0.00 0.02 0.00 0.00 57.07 58.93 3ias s TYR 143 Cb -0.12 0.46 0.00 0.00 -1.52 0.00 0.00 41.96 40.78 3ias s TYR 143 CO 0.25 -0.96 0.00 0.39 0.02 0.00 0.00 175.55 175.25 3ias n GLU 150 N 5.42 0.00 -1.48 -0.62 4.71 -1.26 -5.27 120.64 122.15 3ias n GLU 150 Ca 0.02 0.00 -0.49 0.00 -0.01 0.00 0.00 57.16 56.67 3ias n GLU 150 Cb 0.52 0.00 -0.06 0.00 -1.01 0.00 0.00 31.44 30.89 3ias n GLU 150 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 3ias n LEU 151 N 0.00 2.35 -4.73 -4.62 4.77 -1.26 -4.90 117.00 108.61 3ias n LEU 151 Ca 0.00 0.40 -0.36 0.00 -0.03 0.00 0.00 56.01 56.01 3ias n LEU 151 Cb 0.00 -1.31 0.07 0.00 -2.33 0.00 0.00 43.42 39.85 3ias n LEU 151 CO 0.00 -0.71 0.87 -2.16 -1.33 0.00 0.00 177.39 174.07 3ias s PRO 152 N 6.16 2.52 -0.26 3.23 0.04 -1.26 -4.99 135.00 140.44 3ias s PRO 152 Ca 1.08 1.97 -0.04 0.00 0.04 0.00 0.00 61.00 64.05 3ias s PRO 152 Cb -0.77 -1.85 0.01 0.00 0.04 0.00 0.00 34.50 31.93 3ias s PRO 152 CO 0.47 -1.59 -0.00 0.08 0.04 0.00 0.00 177.00 175.99 3ias s VAL 153 N -1.54 3.36 0.17 -0.36 1.01 -1.26 -4.98 120.40 116.80 3ias s VAL 153 Ca 0.80 -0.82 0.05 0.00 0.00 0.00 0.00 61.98 62.01 3ias s VAL 153 Cb -0.35 -2.69 -0.15 0.00 0.00 0.00 0.00 36.38 33.19 3ias s VAL 153 CO 0.40 0.19 1.39 1.88 0.00 0.00 0.00 175.10 178.95 3ias h TYR 154 N 8.11 0.17 -2.94 5.22 0.05 -2.05 -3.45 116.97 122.07 3ias h TYR 154 Ca -0.33 -0.09 -0.19 0.00 0.05 0.00 0.00 58.73 58.16 3ias h TYR 154 Cb 1.12 -0.02 -0.30 0.00 1.01 0.00 0.00 36.73 38.55 3ias h TYR 154 CO 0.59 0.92 -0.47 -0.08 -1.05 0.00 0.00 178.16 178.07 3ias s THR 155 N -3.14 -0.13 -0.14 -2.88 -1.32 -1.26 -5.03 115.64 101.74 3ias s THR 155 Ca -0.02 0.17 0.12 0.00 -1.21 0.00 0.00 61.69 60.76 3ias s THR 155 Cb 0.10 -0.42 -0.24 0.00 -1.51 0.00 0.00 72.50 70.44 3ias s THR 155 CO 0.81 0.07 0.28 0.54 -2.21 0.00 0.00 174.62 174.12 3ias n ARG 156 N 4.49 0.67 -2.50 7.08 1.74 -1.26 -4.87 116.66 122.01 3ias n ARG 156 Ca -0.21 0.15 -0.42 0.00 -0.77 0.00 0.00 57.85 56.60 3ias n ARG 156 Cb 0.52 -1.64 -0.02 0.00 -1.02 0.00 0.00 32.46 30.30 3ias n ARG 156 CO 0.00 0.00 0.00 0.12 -1.52 0.00 0.00 177.63 176.23 3ias s PHE 157 N -2.54 2.50 -0.46 -1.55 5.36 -1.26 -4.91 117.98 115.12 3ias s PHE 157 Ca -0.12 0.47 0.04 0.00 -0.96 0.00 0.00 56.93 56.36 3ias s PHE 157 Cb 0.07 -4.46 0.53 0.00 -0.34 0.00 0.00 43.02 38.83 3ias s PHE 157 CO 0.80 -1.72 1.75 -0.85 -1.46 0.00 0.00 175.22 173.74 3ias n GLU 158 N 8.44 2.45 -4.00 10.12 0.28 -1.26 -5.00 120.64 131.68 3ias n GLU 158 Ca 0.11 -3.29 -0.27 0.00 -0.16 0.00 0.00 57.16 53.55 3ias n GLU 158 Cb 0.49 -2.14 -0.02 0.00 1.43 0.00 0.00 31.44 31.20 3ias n GLU 158 CO 0.00 0.00 0.00 -0.06 -0.16 0.00 0.00 177.13 176.91 3ias s PHE 159 N -3.49 1.81 0.01 -1.84 0.40 -1.26 -5.07 117.98 108.54 3ias s PHE 159 Ca 0.56 -0.81 -0.30 0.00 -0.60 0.00 0.00 56.93 55.77 3ias s PHE 159 Cb 0.46 -1.90 -0.06 0.00 0.51 0.00 0.00 43.02 42.03 3ias s PHE 159 CO 0.03 -0.30 1.52 0.99 0.70 0.00 0.00 175.22 178.16 3ias s THR 160 N -2.75 3.50 1.00 0.64 2.01 -1.26 -5.00 115.64 113.77 3ias s THR 160 Ca 0.32 0.85 -0.12 0.00 0.31 0.00 0.00 61.69 63.05 3ias s THR 160 Cb -0.01 -3.55 0.19 0.00 0.01 0.00 0.00 72.50 69.14 3ias s THR 160 CO 0.19 -0.02 1.08 -0.13 -0.69 0.00 0.00 174.62 175.06 3ias s ARG 161 N 2.77 0.42 -0.27 4.92 0.52 -1.26 -4.95 118.95 121.10 3ias s ARG 161 Ca 0.68 0.80 -0.29 0.00 -0.52 0.00 0.00 55.73 56.40 3ias s ARG 161 Cb -0.34 -1.71 0.01 0.00 0.52 0.00 0.00 34.95 33.42 3ias s ARG 161 CO 0.28 -2.81 1.16 0.50 0.02 0.00 0.00 175.30 174.45 3ias s ARG 162 N -4.80 4.10 -0.14 3.54 3.52 -1.25 -5.02 118.95 118.90 3ias s ARG 162 Ca 0.66 1.28 -0.03 0.00 -0.13 0.00 0.00 55.73 57.51 3ias s ARG 162 Cb -0.20 -3.76 -0.02 0.00 -1.56 0.00 0.00 34.95 29.40 3ias s ARG 162 CO 0.59 -0.87 -0.06 -1.01 -0.81 0.00 0.00 175.30 173.14 3ias s HIS 163 N 3.71 2.97 0.00 5.12 3.76 -1.26 -4.93 115.29 124.66 3ias s HIS 163 Ca 0.49 -0.37 0.00 0.00 -0.15 0.00 0.00 55.06 55.04 3ias s HIS 163 Cb -0.16 -1.92 0.00 0.00 1.11 0.00 0.00 32.58 31.62 3ias s HIS 163 CO 0.15 -0.06 0.00 1.33 -0.85 0.00 0.00 174.74 175.31 3ias n VAL 164 N 3.46 0.00 -1.59 -0.90 0.24 -1.26 -5.11 118.33 113.17 3ias n VAL 164 Ca -0.18 0.00 -0.34 0.00 -2.04 0.00 0.00 64.34 61.78 3ias n VAL 164 Cb 0.53 0.00 0.07 0.00 -1.47 0.00 0.00 33.84 32.97 3ias n VAL 164 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3ias s ASP 165 N 1.19 4.53 -0.15 -1.34 2.15 -1.26 -4.91 116.67 116.88 3ias s ASP 165 Ca 0.00 2.29 -0.25 0.00 0.43 0.00 0.00 52.55 55.02 3ias s ASP 165 Cb 0.00 -2.58 0.06 0.00 -0.30 0.00 0.00 42.92 40.10 3ias s ASP 165 CO 0.00 -2.03 0.64 -0.75 -0.17 0.00 0.00 175.17 172.86 3ias s LYS 166 N -3.85 0.87 -1.35 4.34 2.20 -1.26 -3.30 119.74 117.39 3ias s LYS 166 Ca 0.73 0.57 -0.15 0.00 -0.36 0.00 0.00 55.97 56.76 3ias s LYS 166 Cb -0.28 0.42 0.02 0.00 -1.51 0.00 0.00 37.83 36.47 3ias s LYS 166 CO 0.42 -0.19 0.43 -2.39 -0.36 0.00 0.00 175.35 173.27 3ias n HIS 167 N 1.90 -1.47 -3.99 4.03 1.44 -1.22 -4.96 115.22 110.95 3ias n HIS 167 Ca -0.16 0.42 -0.33 0.00 -2.01 0.00 0.00 57.72 55.64 3ias n HIS 167 Cb 0.56 -3.07 -0.14 0.00 0.12 0.00 0.00 29.99 27.46 3ias n HIS 167 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 3ias s HIS 168 N -3.87 3.45 0.09 -1.40 5.04 -0.45 -4.91 115.29 113.24 3ias s HIS 168 Ca 0.24 -2.45 -0.31 0.00 -1.54 0.00 0.00 55.06 51.00 3ias s HIS 168 Cb -0.12 -2.40 -0.09 0.00 0.04 0.00 0.00 32.58 30.01 3ias s HIS 168 CO 0.95 -0.90 1.71 -1.25 -2.34 0.00 0.00 174.74 172.91 3ias s PRO 169 N 1.07 4.18 0.08 2.88 0.04 -1.26 -2.03 135.00 139.96 3ias s PRO 169 Ca -0.00 2.42 -0.04 0.00 0.04 0.00 0.00 61.00 63.41 3ias s PRO 169 Cb -0.20 -3.58 -0.27 0.00 0.04 0.00 0.00 34.50 30.49 3ias s PRO 169 CO -0.05 -0.77 1.15 -0.07 0.04 0.00 0.00 177.00 177.31 3ias h LEU 170 N 8.52 0.43 0.00 -3.56 3.38 -1.44 -3.46 115.31 119.17 3ias h LEU 170 Ca -0.44 -0.45 -0.07 0.00 0.09 0.00 0.00 57.88 57.02 3ias h LEU 170 Cb 1.21 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.80 3ias h LEU 170 CO 0.94 1.35 -0.06 -1.54 0.09 0.00 0.00 178.44 179.21 3ias n SER 171 N -3.55 -0.16 0.00 -0.43 3.41 -1.15 -4.55 113.62 107.19 3ias n SER 171 Ca -0.08 -1.34 0.10 0.00 -0.26 0.00 0.00 58.87 57.28 3ias n SER 171 Cb 1.01 0.33 0.47 0.00 -0.26 0.00 0.00 64.21 65.77 3ias n SER 171 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 3ias n PRO 172 N -0.10 0.11 -0.01 4.33 -0.04 -1.26 -3.84 135.00 134.18 3ias n PRO 172 Ca 0.01 0.13 0.02 0.00 -0.04 0.00 0.00 63.50 63.62 3ias n PRO 172 Cb 0.10 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 31.99 3ias n PRO 172 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3ias n PHE 173 N -1.42 0.00 -4.73 0.54 3.01 -1.26 -4.59 117.46 109.01 3ias n PHE 173 Ca 0.07 0.00 -0.29 0.00 1.01 0.00 0.00 57.45 58.24 3ias n PHE 173 Cb 0.21 -0.27 -0.17 0.00 -0.01 0.00 0.00 39.48 39.24 3ias n PHE 173 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 3ias s VAL 174 N -2.54 1.58 -0.17 -4.37 1.01 -1.25 -1.28 120.40 113.38 3ias s VAL 174 Ca -0.04 -0.72 -0.03 0.00 0.00 0.00 0.00 61.98 61.20 3ias s VAL 174 Cb 0.05 -1.41 -0.02 0.00 0.00 0.00 0.00 36.38 35.00 3ias s VAL 174 CO 0.38 0.45 -0.06 -0.51 0.00 0.00 0.00 175.10 175.37 3ias s ILE 175 N 0.69 3.53 -0.18 2.22 2.07 -0.51 -1.05 121.20 127.98 3ias s ILE 175 Ca -0.13 -0.47 -0.07 0.00 -1.41 0.00 0.00 60.65 58.57 3ias s ILE 175 Cb -0.16 -2.55 -0.04 0.00 0.13 0.00 0.00 42.46 39.84 3ias s ILE 175 CO 0.03 0.48 0.04 -0.22 -1.91 0.00 0.00 174.94 173.36 3ias s LEU 176 N 0.69 3.72 -0.46 8.50 2.96 -0.86 -1.98 118.68 131.25 3ias s LEU 176 Ca -0.03 0.05 0.00 0.00 -0.22 0.00 0.00 54.13 53.93 3ias s LEU 176 Cb -0.15 -1.93 0.12 0.00 0.50 0.00 0.00 46.19 44.73 3ias s LEU 176 CO 0.02 0.18 0.23 -0.62 -1.32 0.00 0.00 176.35 174.84 3ias s ASP 177 N 0.33 4.96 0.27 3.68 -1.08 0.14 -1.34 116.67 123.63 3ias s ASP 177 Ca 0.02 -2.43 -0.01 0.00 -0.52 0.00 0.00 52.55 49.61 3ias s ASP 177 Cb -0.13 -1.75 0.49 0.00 -1.46 0.00 0.00 42.92 40.08 3ias s ASP 177 CO 0.01 -0.41 1.84 0.03 0.52 0.00 0.00 175.17 177.16 3ias h ARG 178 N 7.42 0.97 -0.67 4.34 3.08 -1.85 -3.00 114.38 124.67 3ias h ARG 178 Ca -0.07 -0.06 0.12 0.00 0.07 0.00 0.00 59.98 60.04 3ias h ARG 178 Cb 0.99 -0.22 -0.08 0.00 0.08 0.00 0.00 29.97 30.74 3ias h ARG 178 CO 0.66 0.64 0.24 1.49 -1.07 0.00 0.00 179.97 181.93 3ias h GLU 179 N 1.00 0.39 0.41 0.04 4.81 -1.90 -3.04 114.58 116.29 3ias h GLU 179 Ca 0.47 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.65 3ias h GLU 179 Cb 0.39 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.69 3ias h GLU 179 CO -0.24 0.26 -0.20 0.00 -0.73 0.00 0.00 179.01 178.10 3ias h ARG 180 N 0.40 -0.53 -0.91 1.92 3.08 -1.88 -3.42 114.38 113.04 3ias h ARG 180 Ca 0.35 0.04 -0.11 0.00 0.07 0.00 0.00 59.98 60.33 3ias h ARG 180 Cb 0.49 0.12 0.01 0.00 0.08 0.00 0.00 29.97 30.67 3ias h ARG 180 CO -0.36 -0.28 -0.03 0.00 -1.07 0.00 0.00 179.97 178.23 3ias n ILE 182 N 0.13 0.43 -3.08 0.00 -5.35 -1.26 -5.00 119.36 105.23 3ias n ILE 182 Ca 0.03 -0.71 -0.16 0.00 -0.27 0.00 0.00 62.75 61.64 3ias n ILE 182 Cb 0.02 0.90 0.04 0.00 -1.74 0.00 0.00 39.64 38.87 3ias n ILE 182 CO 0.00 0.00 0.00 1.41 -1.76 0.00 0.00 176.55 176.20 3ias n HIS 183 N 0.49 -1.74 -1.37 4.28 8.25 -1.26 -5.02 115.22 118.85 3ias n HIS 183 Ca 0.08 0.57 -0.29 0.00 -0.26 0.00 0.00 57.72 57.82 3ias n HIS 183 Cb 0.32 -3.62 0.14 0.00 1.12 0.00 0.00 29.99 27.95 3ias n HIS 183 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3ias n LYS 185 N -3.88 3.05 -0.19 0.00 4.81 -1.26 -4.77 118.16 115.92 3ias n LYS 185 Ca 0.06 -2.55 -0.13 0.00 -0.87 0.00 0.00 58.31 54.82 3ias n LYS 185 Cb 0.58 -1.58 -0.10 0.00 0.02 0.00 0.00 35.03 33.95 3ias n LYS 185 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3ias h ARG 186 N 3.40 -0.30 0.65 1.64 3.08 -1.92 -0.90 114.38 120.03 3ias h ARG 186 Ca 0.00 0.02 -0.03 0.00 0.07 0.00 0.00 59.98 60.04 3ias h ARG 186 Cb 1.06 0.07 0.01 0.00 0.08 0.00 0.00 29.97 31.19 3ias h ARG 186 CO 0.07 -0.20 -0.31 0.00 -1.07 0.00 0.00 179.97 178.46 3ias h VAL 188 N -0.90 1.06 -0.17 0.00 -1.51 -1.82 -1.70 116.25 111.22 3ias h VAL 188 Ca -0.09 -0.27 -0.00 0.00 -1.23 0.00 0.00 66.70 65.11 3ias h VAL 188 Cb 0.68 0.19 -0.01 0.00 -2.13 0.00 0.00 31.29 30.02 3ias h VAL 188 CO 0.15 0.15 0.11 -0.09 -1.23 0.00 0.00 177.57 176.65 3ias h ARG 189 N 0.80 0.23 -0.43 5.19 2.43 -1.08 -2.34 114.38 119.17 3ias h ARG 189 Ca 0.28 -0.02 0.09 0.00 -0.81 0.00 0.00 59.98 59.52 3ias h ARG 189 Cb 0.07 -0.05 -0.08 0.00 -0.42 0.00 0.00 29.97 29.49 3ias h ARG 189 CO -0.13 0.18 -0.08 -0.92 -1.51 0.00 0.00 179.97 177.51 3ias h TYR 190 N 0.21 -0.18 -0.21 2.20 3.20 -0.08 -2.42 116.97 119.69 3ias h TYR 190 Ca 0.06 0.04 0.03 0.00 3.14 0.00 0.00 58.73 62.00 3ias h TYR 190 Cb 0.01 0.15 -0.03 0.00 1.54 0.00 0.00 36.73 38.40 3ias h TYR 190 CO -0.06 -0.16 0.01 0.74 -1.64 0.00 0.00 178.16 177.05 3ias h PHE 191 N 0.02 0.01 0.00 -3.82 0.04 -0.79 0.28 116.94 112.68 3ias h PHE 191 Ca 0.21 0.01 -0.03 0.00 2.80 0.00 0.00 57.97 60.96 3ias h PHE 191 Cb 0.32 0.03 -0.00 0.00 2.20 0.00 0.00 35.95 38.49 3ias h PHE 191 CO -0.35 -0.02 -0.15 1.05 -0.60 0.00 0.00 178.31 178.24 3ias h GLU 192 N 0.08 0.00 0.00 1.51 -0.00 -1.35 0.62 114.58 115.44 3ias h GLU 192 Ca 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.46 3ias h GLU 192 Cb 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 28.87 3ias h GLU 192 CO -0.16 0.15 -0.31 0.39 -0.00 0.00 0.00 179.01 179.08 3ias n GLU 193 N -3.35 0.21 0.00 1.06 1.02 -0.49 -4.13 120.64 114.96 3ias n GLU 193 Ca -0.00 0.25 0.00 0.00 -0.02 0.00 0.00 57.16 57.39 3ias n GLU 193 Cb 0.36 -1.04 0.00 0.00 -0.02 0.00 0.00 31.44 30.74 3ias n GLU 193 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3ias n VAL 194 N -3.30 0.00 0.05 2.62 0.31 0.88 -4.22 118.33 114.68 3ias n VAL 194 Ca -0.04 1.13 -0.12 0.00 -0.01 0.00 0.00 64.34 65.30 3ias n VAL 194 Cb 0.16 -2.11 -0.02 0.00 -0.91 0.00 0.00 33.84 30.96 3ias n VAL 194 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 3ias h PRO 195 N 0.00 0.44 0.00 5.55 0.13 -1.69 -3.44 132.00 132.99 3ias h PRO 195 Ca 0.00 -0.42 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 3ias h PRO 195 Cb 0.00 0.10 0.00 0.00 0.13 0.00 0.00 31.00 31.23 3ias h PRO 195 CO 0.00 1.06 0.00 0.41 -0.23 0.00 0.00 178.00 179.24 3ias n GLY 196 N 0.76 0.83 2.89 1.56 0.00 0.15 -5.01 105.19 106.37 3ias n GLY 196 Ca -0.06 -0.46 -0.29 0.00 0.00 0.00 0.00 46.02 45.21 3ias n GLY 196 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3ias s ASP 197 N -2.43 4.28 -0.92 1.61 1.01 -0.84 -4.91 116.67 114.46 3ias s ASP 197 Ca 0.00 -3.20 -0.25 0.00 0.71 0.00 0.00 52.55 49.82 3ias s ASP 197 Cb 0.00 -1.52 -0.07 0.00 1.01 0.00 0.00 42.92 42.34 3ias s ASP 197 CO 0.00 -0.19 2.03 -1.61 0.21 0.00 0.00 175.17 175.61 3ias s GLU 198 N -0.52 2.34 -0.28 8.23 2.02 -1.26 -4.68 118.70 124.54 3ias s GLU 198 Ca 0.20 -0.26 0.10 0.00 0.02 0.00 0.00 54.97 55.03 3ias s GLU 198 Cb -0.19 -5.03 0.47 0.00 0.10 0.00 0.00 34.13 29.48 3ias s GLU 198 CO -0.05 -3.71 1.18 1.33 0.02 0.00 0.00 175.26 174.03 3ias n VAL 199 N 8.07 2.27 -3.65 2.63 0.24 -1.26 -4.98 118.33 121.65 3ias n VAL 199 Ca 0.42 -3.92 -0.02 0.00 -2.04 0.00 0.00 64.34 58.78 3ias n VAL 199 Cb 0.46 -0.65 -0.06 0.00 -1.47 0.00 0.00 33.84 32.13 3ias n VAL 199 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 3ias s LEU 200 N -3.60 -0.02 0.00 1.34 2.96 -1.26 -4.77 118.68 113.33 3ias s LEU 200 Ca 0.46 0.04 0.00 0.00 -0.22 0.00 0.00 54.13 54.41 3ias s LEU 200 Cb 0.39 1.05 0.00 0.00 0.50 0.00 0.00 46.19 48.13 3ias s LEU 200 CO 0.02 -0.01 0.00 -0.67 -1.32 0.00 0.00 176.35 174.37 3ias n ASP 201 N 1.12 0.00 -4.65 3.68 -0.08 -1.02 -4.74 116.55 110.86 3ias n ASP 201 Ca -0.06 0.00 -0.37 0.00 -1.51 0.00 0.00 54.79 52.85 3ias n ASP 201 Cb 0.58 0.00 0.06 0.00 2.34 0.00 0.00 41.12 44.10 3ias n ASP 201 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 3ias n PHE 202 N -0.31 1.12 0.00 -0.67 3.72 -1.26 -2.61 117.46 117.46 3ias n PHE 202 Ca 0.00 0.42 0.00 0.00 -0.05 0.00 0.00 57.45 57.82 3ias n PHE 202 Cb 0.00 -2.17 0.00 0.00 -0.94 0.00 0.00 39.48 36.37 3ias n PHE 202 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 176.76 175.82 3ias n ILE 203 N -1.93 0.00 0.00 4.37 2.08 0.90 -4.86 119.36 119.91 3ias n ILE 203 Ca 0.15 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.46 3ias n ILE 203 Cb 0.48 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.37 3ias n ILE 203 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 3ias n GLU 204 N 0.00 1.86 -4.38 0.38 1.02 -1.26 -4.82 120.64 113.44 3ias n GLU 204 Ca 0.00 0.00 -0.20 0.00 -0.02 0.00 0.00 57.16 56.94 3ias n GLU 204 Cb 0.00 0.00 -0.09 0.00 -0.02 0.00 0.00 31.44 31.33 3ias n GLU 204 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 3ias s ARG 205 N 0.00 1.62 3.48 3.49 1.70 -1.26 -4.43 118.95 123.55 3ias s ARG 205 Ca 0.00 -1.93 0.00 0.00 -0.47 0.00 0.00 55.73 53.33 3ias s ARG 205 Cb 0.00 -0.35 0.00 0.00 -0.57 0.00 0.00 34.95 34.03 3ias s ARG 205 CO 0.00 -0.38 0.00 0.41 -1.08 0.00 0.00 175.30 174.25 3ias n GLY 206 N -0.63 0.28 0.00 3.88 0.00 -1.26 -2.57 105.19 104.89 3ias n GLY 206 Ca -0.01 -0.87 0.03 0.00 0.00 0.00 0.00 46.02 45.16 3ias n GLY 206 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3ias n VAL 207 N 0.00 1.55 0.54 1.61 0.24 -1.26 -2.42 118.33 118.60 3ias n VAL 207 Ca 0.00 0.39 0.11 0.00 -2.04 0.00 0.00 64.34 62.80 3ias n VAL 207 Cb 0.00 -1.30 -0.07 0.00 -1.47 0.00 0.00 33.84 31.00 3ias n VAL 207 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 3ias n HIS 208 N -1.47 0.11 -0.86 6.34 8.25 -1.06 -4.99 115.22 121.54 3ias n HIS 208 Ca 0.01 0.03 -0.33 0.00 -0.26 0.00 0.00 57.72 57.18 3ias n HIS 208 Cb 0.06 -0.32 0.12 0.00 1.12 0.00 0.00 29.99 30.97 3ias n HIS 208 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 3ias n THR 209 N -1.90 0.32 -3.76 1.59 -2.24 -1.01 -4.63 114.28 102.64 3ias n THR 209 Ca 0.01 -0.20 -0.05 0.00 -2.27 0.00 0.00 64.05 61.54 3ias n THR 209 Cb 0.44 -0.69 -0.02 0.00 -2.10 0.00 0.00 70.33 67.97 3ias n THR 209 CO 0.00 0.00 0.00 0.72 -0.57 0.00 0.00 175.07 175.22 3ias s PHE 210 N -2.34 -0.18 -0.02 4.78 -0.12 -1.26 -4.88 117.98 113.96 3ias s PHE 210 Ca 0.59 -0.16 -0.25 0.00 -0.05 0.00 0.00 56.93 57.07 3ias s PHE 210 Cb -0.23 0.65 -0.04 0.00 -0.63 0.00 0.00 43.02 42.77 3ias s PHE 210 CO 0.65 -0.93 0.75 0.42 -0.05 0.00 0.00 175.22 176.06 3ias s ILE 211 N -3.47 4.92 0.27 -4.49 -1.09 -1.26 -0.07 121.20 116.01 3ias s ILE 211 Ca 0.11 1.56 -0.09 0.00 -2.23 0.00 0.00 60.65 60.00 3ias s ILE 211 Cb -0.03 -4.09 -0.00 0.00 -1.58 0.00 0.00 42.46 36.76 3ias s ILE 211 CO 0.02 0.28 0.45 -0.83 -1.23 0.00 0.00 174.94 173.64 3ias s GLY 212 N 0.51 0.84 0.17 6.18 0.00 -1.07 -4.94 107.32 109.01 3ias s GLY 212 Ca 0.39 -1.11 -0.09 0.00 0.00 0.00 0.00 44.72 43.92 3ias s GLY 212 CO 0.21 -0.78 0.29 -1.08 0.00 0.00 0.00 173.10 171.74 3ias s THR 213 N -3.75 0.06 0.00 0.90 -1.32 -1.26 -2.43 115.64 107.84 3ias s THR 213 Ca 0.26 -1.39 0.00 0.00 -1.21 0.00 0.00 61.69 59.35 3ias s THR 213 Cb 0.00 -1.86 0.00 0.00 -1.51 0.00 0.00 72.50 69.13 3ias s THR 213 CO 0.12 -0.28 0.02 0.23 -2.21 0.00 0.00 174.62 172.50 3ias n MET 214 N -0.22 0.19 -3.54 7.08 2.81 -1.26 -4.92 117.12 117.26 3ias n MET 214 Ca -0.07 -0.02 -0.41 0.00 -1.81 0.00 0.00 57.70 55.39 3ias n MET 214 Cb 0.63 -0.33 -0.06 0.00 -0.71 0.00 0.00 33.22 32.75 3ias n MET 214 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 3ias s ASP 215 N -0.03 6.03 0.19 7.83 1.11 -1.26 -5.01 116.67 125.54 3ias s ASP 215 Ca 0.00 -2.96 -0.11 0.00 0.18 0.00 0.00 52.55 49.66 3ias s ASP 215 Cb 0.00 -2.02 0.12 0.00 1.07 0.00 0.00 42.92 42.09 3ias s ASP 215 CO 0.00 -0.42 1.84 -0.26 1.18 0.00 0.00 175.17 177.51 3ias h PHE 216 N 7.15 0.89 0.00 4.23 -1.00 -1.92 -2.72 116.94 123.58 3ias h PHE 216 Ca 0.07 -0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.85 3ias h PHE 216 Cb 0.96 -0.29 0.00 0.00 3.61 0.00 0.00 35.95 40.23 3ias h PHE 216 CO 0.84 0.60 0.00 0.41 -1.61 0.00 0.00 178.31 178.55 3ias n GLY 217 N -1.18 -0.86 3.21 -1.45 0.00 -1.26 -4.56 105.19 99.10 3ias n GLY 217 Ca 0.06 -0.06 -0.09 0.00 0.00 0.00 0.00 46.02 45.92 3ias n GLY 217 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3ias n LEU 218 N -1.37 -5.85 -0.07 0.99 7.99 -1.03 -4.73 117.00 112.94 3ias n LEU 218 Ca 0.06 -0.44 -0.02 0.00 -0.01 0.00 0.00 56.01 55.60 3ias n LEU 218 Cb 0.14 -3.14 -0.02 0.00 -0.11 0.00 0.00 43.42 40.29 3ias n LEU 218 CO 0.12 -0.45 0.50 -0.65 -1.51 0.00 0.00 177.39 175.40 3ias h PRO 219 N -0.36 -0.01 -6.17 3.23 0.11 -1.90 -3.46 132.00 123.44 3ias h PRO 219 Ca -0.32 0.00 -0.62 0.00 0.11 0.00 0.00 66.00 65.17 3ias h PRO 219 Cb 1.17 0.00 0.15 0.00 0.11 0.00 0.00 31.00 32.43 3ias h PRO 219 CO 0.37 -0.01 -0.62 -1.13 -0.21 0.00 0.00 178.00 176.41 3ias n SER 220 N -3.37 -1.64 -0.56 -2.05 3.41 -1.26 -4.76 113.62 103.38 3ias n SER 220 Ca 0.00 0.90 0.00 0.00 -0.26 0.00 0.00 58.87 59.51 3ias n SER 220 Cb 0.05 -1.01 0.00 0.00 -0.26 0.00 0.00 64.21 62.99 3ias n SER 220 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ias n GLY 221 N 2.01 1.45 2.83 5.00 0.00 -1.26 -3.57 105.19 111.64 3ias n GLY 221 Ca 0.12 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.14 3ias n GLY 221 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3ias n PHE 222 N 0.10 1.17 0.03 1.61 3.72 -1.26 -2.14 117.46 120.69 3ias n PHE 222 Ca 0.00 -2.15 -0.07 0.00 -0.05 0.00 0.00 57.45 55.18 3ias n PHE 222 Cb 0.26 -0.18 -0.12 0.00 -0.94 0.00 0.00 39.48 38.49 3ias n PHE 222 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 3ias h SER 223 N 2.58 0.00 -0.04 4.37 4.64 -1.89 -3.34 113.55 119.87 3ias h SER 223 Ca -0.15 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.18 3ias h SER 223 Cb 1.27 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.36 3ias h SER 223 CO 0.18 0.99 0.37 1.23 -0.87 0.00 0.00 176.83 178.72 3ias h GLY 224 N 3.19 0.00 1.87 -0.77 0.00 -1.89 -2.15 103.07 103.32 3ias h GLY 224 Ca -0.11 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.09 3ias h GLY 224 CO 0.11 0.00 -0.59 3.43 0.00 0.00 0.00 176.54 179.49 3ias h ASN 225 N 0.00 0.15 -0.11 0.19 2.35 -1.80 -2.85 115.58 113.50 3ias h ASN 225 Ca 0.02 -0.08 0.03 0.00 -0.55 0.00 0.00 56.30 55.72 3ias h ASN 225 Cb 0.76 -0.04 -0.00 0.00 0.05 0.00 0.00 38.32 39.08 3ias h ASN 225 CO -0.00 0.70 0.09 0.16 -1.65 0.00 0.00 177.43 176.73 3ias h ILE 226 N 0.10 0.86 -0.18 2.81 3.07 -1.67 0.24 117.51 122.74 3ias h ILE 226 Ca -0.01 0.00 -0.03 0.00 1.55 0.00 0.00 64.86 66.38 3ias h ILE 226 Cb 1.07 0.94 -0.01 0.00 -0.27 0.00 0.00 36.82 38.54 3ias h ILE 226 CO 0.08 0.00 -0.02 0.74 -1.05 0.00 0.00 178.15 177.90 3ias h THR 227 N 0.00 1.13 0.00 0.16 2.02 -1.70 -1.65 112.91 112.87 3ias h THR 227 Ca 0.05 -0.51 0.00 0.00 0.77 0.00 0.00 66.41 66.73 3ias h THR 227 Cb 0.23 1.02 0.00 0.00 -1.74 0.00 0.00 68.15 67.66 3ias h THR 227 CO -0.00 0.17 -0.38 0.47 0.37 0.00 0.00 175.52 176.15 3ias n ASP 228 N -4.37 0.38 -0.11 4.18 8.00 0.82 -4.21 116.55 121.25 3ias n ASP 228 Ca -0.00 -0.06 -0.17 0.00 0.71 0.00 0.00 54.79 55.26 3ias n ASP 228 Cb 0.19 0.06 -0.09 0.00 -0.02 0.00 0.00 41.12 41.26 3ias n ASP 228 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 3ias n ILE 229 N -1.51 1.23 -1.48 0.53 5.41 -0.99 -4.95 119.36 117.59 3ias n ILE 229 Ca 0.06 -0.42 -0.56 0.00 1.00 0.00 0.00 62.75 62.83 3ias n ILE 229 Cb 0.34 -1.41 -0.08 0.00 -0.71 0.00 0.00 39.64 37.77 3ias n ILE 229 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3ias h PRO 231 N 9.89 0.00 0.00 0.00 0.13 -1.91 -3.44 132.00 136.67 3ias h PRO 231 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 3ias h PRO 231 Cb 1.35 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.48 3ias h PRO 231 CO 1.02 0.00 0.00 1.33 -0.23 0.00 0.00 178.00 180.12 3ias n VAL 232 N -4.13 0.00 -0.54 1.56 0.24 -1.26 -1.36 118.33 112.84 3ias n VAL 232 Ca 0.15 0.00 0.07 0.00 -2.04 0.00 0.00 64.34 62.52 3ias n VAL 232 Cb 0.84 0.00 0.34 0.00 -1.47 0.00 0.00 33.84 33.56 3ias n VAL 232 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3ias n GLY 233 N 3.86 2.64 0.28 7.63 0.00 -1.26 -4.42 105.19 113.93 3ias n GLY 233 Ca 0.00 -0.79 -0.12 0.00 0.00 0.00 0.00 46.02 45.11 3ias n GLY 233 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ias h ALA 234 N 3.89 -0.65 -2.07 4.61 0.00 -1.91 -3.40 119.26 119.72 3ias h ALA 234 Ca 0.00 -0.17 -0.66 0.00 0.00 0.00 0.00 54.91 54.07 3ias h ALA 234 Cb 1.60 0.25 -0.16 0.00 0.00 0.00 0.00 17.79 19.47 3ias h ALA 234 CO 0.33 -0.64 0.15 -0.51 0.00 0.00 0.00 179.25 178.58 3ias s LEU 235 N -9.35 4.71 0.07 0.00 1.43 -1.26 0.26 118.68 114.54 3ias s LEU 235 Ca -0.12 -0.68 0.08 0.00 -1.03 0.00 0.00 54.13 52.38 3ias s LEU 235 Cb 0.01 -2.57 -0.03 0.00 0.03 0.00 0.00 46.19 43.63 3ias s LEU 235 CO 0.38 -0.92 -0.22 -0.76 0.23 0.00 0.00 176.35 175.06 3ias s LEU 236 N 2.90 2.22 -0.48 1.79 1.43 -0.84 -4.47 118.68 121.23 3ias s LEU 236 Ca 0.19 -0.60 -0.27 0.00 -1.03 0.00 0.00 54.13 52.42 3ias s LEU 236 Cb -0.17 -1.02 -0.02 0.00 0.03 0.00 0.00 46.19 45.01 3ias s LEU 236 CO 0.15 0.15 1.86 -0.62 0.23 0.00 0.00 176.35 178.11 3ias s ASP 237 N -1.49 5.50 0.45 2.29 -1.08 -1.26 -1.43 116.67 119.65 3ias s ASP 237 Ca 0.09 0.79 0.25 0.00 -0.52 0.00 0.00 52.55 53.16 3ias s ASP 237 Cb -0.09 -2.53 0.92 0.00 -1.46 0.00 0.00 42.92 39.76 3ias s ASP 237 CO 0.03 -2.11 1.82 0.25 0.52 0.00 0.00 175.17 175.68 3ias h LEU 238 N 15.38 0.00 -2.11 -1.34 5.85 -1.51 -2.72 115.31 128.87 3ias h LEU 238 Ca -0.29 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.42 3ias h LEU 238 Cb 1.17 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.20 3ias h LEU 238 CO 1.13 0.19 -0.04 0.00 -0.34 0.00 0.00 178.44 179.38 3ias h THR 239 N 0.00 0.80 -0.39 1.05 1.03 -1.81 -2.40 112.91 111.18 3ias h THR 239 Ca -0.00 -0.16 -0.30 0.00 -0.01 0.00 0.00 66.41 65.95 3ias h THR 239 Cb 0.75 1.09 -0.30 0.00 -1.07 0.00 0.00 68.15 68.62 3ias h THR 239 CO 0.02 0.04 -0.81 0.00 -0.01 0.00 0.00 175.52 174.77 3ias n ALA 240 N -2.43 3.90 -1.89 0.00 0.00 -1.04 -4.94 120.51 114.11 3ias n ALA 240 Ca -0.03 -3.31 -0.41 0.00 0.00 0.00 0.00 53.44 49.69 3ias n ALA 240 Cb 0.13 -0.47 -0.02 0.00 0.00 0.00 0.00 19.45 19.08 3ias n ALA 240 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 3ias s ARG 241 N -3.12 4.29 -1.11 0.00 3.52 -0.91 -3.94 118.95 117.69 3ias s ARG 241 Ca 0.41 2.26 -0.21 0.00 -0.13 0.00 0.00 55.73 58.06 3ias s ARG 241 Cb 0.38 -3.12 0.00 0.00 -1.56 0.00 0.00 34.95 30.65 3ias s ARG 241 CO -0.03 -0.38 0.76 1.19 -0.81 0.00 0.00 175.30 176.03 3ias n PHE 242 N 2.30 -1.89 0.01 5.12 3.01 -1.26 -4.92 117.46 119.83 3ias n PHE 242 Ca 0.06 0.45 -0.03 0.00 1.01 0.00 0.00 57.45 58.94 3ias n PHE 242 Cb 0.41 -3.32 -0.01 0.00 -0.01 0.00 0.00 39.48 36.55 3ias n PHE 242 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 3ias n ARG 243 N -4.09 0.17 -4.05 -1.08 5.12 -1.25 -5.10 116.66 106.37 3ias n ARG 243 Ca -0.11 0.07 -0.08 0.00 -1.93 0.00 0.00 57.85 55.80 3ias n ARG 243 Cb 0.59 -0.80 -0.09 0.00 -1.16 0.00 0.00 32.46 31.00 3ias n ARG 243 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3ias s ALA 244 N -2.29 0.42 0.55 7.54 0.00 -1.26 -5.15 121.76 121.56 3ias s ALA 244 Ca -0.09 -1.14 -0.17 0.00 0.00 0.00 0.00 51.96 50.56 3ias s ALA 244 Cb 0.01 0.52 -0.06 0.00 0.00 0.00 0.00 23.12 23.59 3ias s ALA 244 CO 0.14 -0.45 1.03 1.03 0.00 0.00 0.00 175.76 177.50 3ias s ARG 245 N -3.95 3.63 0.58 0.00 1.81 -1.26 -4.96 118.95 114.80 3ias s ARG 245 Ca 0.12 1.14 0.27 0.00 -1.72 0.00 0.00 55.73 55.54 3ias s ARG 245 Cb 0.07 -2.08 1.64 0.00 -0.45 0.00 0.00 34.95 34.13 3ias s ARG 245 CO -0.06 -0.55 2.15 -0.91 -0.68 0.00 0.00 175.30 175.25 3ias h ASN 246 N 0.81 0.00 0.65 0.23 2.35 -1.90 -0.77 115.58 116.95 3ias h ASN 246 Ca -0.47 0.00 -0.27 0.00 -0.55 0.00 0.00 56.30 55.01 3ias h ASN 246 Cb 1.21 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.56 3ias h ASN 246 CO 0.59 0.00 -1.34 4.11 -1.65 0.00 0.00 177.43 179.14 3ias h TRP 247 N 0.00 0.28 0.00 1.19 0.09 -1.93 -3.29 115.95 112.29 3ias h TRP 247 Ca 0.06 -0.20 0.00 0.00 0.09 0.00 0.00 58.89 58.83 3ias h TRP 247 Cb 0.30 -0.01 0.00 0.00 0.08 0.00 0.00 29.16 29.53 3ias h TRP 247 CO 0.00 1.21 0.05 0.93 0.09 0.00 0.00 178.44 180.71 3ias h GLU 248 N 0.04 0.00 -7.10 0.12 5.08 -1.51 -3.43 114.58 107.78 3ias h GLU 248 Ca -0.16 0.00 -0.45 0.00 -1.00 0.00 0.00 59.36 57.75 3ias h GLU 248 Cb 1.94 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 31.18 3ias h GLU 248 CO 0.15 0.00 0.35 -1.64 -1.00 0.00 0.00 179.01 176.88 3ias s MET 249 N -3.91 4.09 -0.46 2.33 -1.94 -1.20 -4.88 119.30 113.34 3ias s MET 249 Ca -0.04 1.10 -0.13 0.00 -1.71 0.00 0.00 55.69 54.91 3ias s MET 249 Cb 0.10 -2.16 0.08 0.00 2.01 0.00 0.00 34.83 34.86 3ias s MET 249 CO 0.31 -0.15 0.35 -2.00 -0.01 0.00 0.00 175.02 173.52 3ias s GLU 250 N -3.45 2.82 0.14 2.03 2.12 -0.13 -4.90 118.70 117.34 3ias s GLU 250 Ca 0.62 -1.43 -0.30 0.00 0.36 0.00 0.00 54.97 54.21 3ias s GLU 250 Cb -0.10 -4.01 -0.07 0.00 0.26 0.00 0.00 34.13 30.22 3ias s GLU 250 CO 0.19 -1.03 1.08 -1.21 -0.54 0.00 0.00 175.26 173.75 3ias s GLU 251 N 1.55 4.59 -0.38 4.30 2.02 -1.26 -1.63 118.70 127.89 3ias s GLU 251 Ca 0.04 1.65 0.00 0.00 0.02 0.00 0.00 54.97 56.68 3ias s GLU 251 Cb -0.24 -3.32 0.13 0.00 0.10 0.00 0.00 34.13 30.80 3ias s GLU 251 CO 0.04 0.06 0.20 0.99 0.02 0.00 0.00 175.26 176.57 3ias s THR 252 N 0.05 0.72 0.27 3.63 2.01 -0.58 -4.93 115.64 116.80 3ias s THR 252 Ca 0.50 -1.95 -0.30 0.00 0.31 0.00 0.00 61.69 60.26 3ias s THR 252 Cb -0.28 -1.52 -0.10 0.00 0.01 0.00 0.00 72.50 70.61 3ias s THR 252 CO 0.33 -0.90 1.41 -2.16 -0.69 0.00 0.00 174.62 172.61 3ias s PRO 253 N 0.92 4.28 0.00 4.92 0.04 -1.26 -2.12 135.00 141.77 3ias s PRO 253 Ca 0.16 2.29 0.00 0.00 0.04 0.00 0.00 61.00 63.49 3ias s PRO 253 Cb -0.23 -3.10 0.00 0.00 0.04 0.00 0.00 34.50 31.22 3ias s PRO 253 CO -0.05 -0.38 0.00 -2.37 0.04 0.00 0.00 177.00 174.25 3ias n THR 254 N 1.98 0.00 -4.67 1.26 5.66 -0.04 -4.26 114.28 114.20 3ias n THR 254 Ca 0.05 0.00 -0.25 0.00 -3.05 0.00 0.00 64.05 60.80 3ias n THR 254 Cb 0.41 0.00 -0.17 0.00 -1.55 0.00 0.00 70.33 69.02 3ias n THR 254 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 3ias s THR 255 N -2.68 1.25 0.01 1.09 2.01 -1.24 -1.76 115.64 114.32 3ias s THR 255 Ca 0.00 -0.56 -0.30 0.00 0.31 0.00 0.00 61.69 61.14 3ias s THR 255 Cb 0.00 -1.12 -0.05 0.00 0.01 0.00 0.00 72.50 71.33 3ias s THR 255 CO 0.00 0.38 1.32 0.00 -0.69 0.00 0.00 174.62 175.63 3ias n ALA 257 N 4.95 4.50 0.09 0.00 0.00 -1.26 -4.00 120.51 124.79 3ias n ALA 257 Ca 0.12 -3.47 -0.05 0.00 0.00 0.00 0.00 53.44 50.03 3ias n ALA 257 Cb 0.45 -0.51 -0.00 0.00 0.00 0.00 0.00 19.45 19.38 3ias n ALA 257 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3ias h LEU 258 N 1.52 0.03 -8.57 0.00 3.38 -1.97 -3.44 115.31 106.25 3ias h LEU 258 Ca 0.23 -0.02 -0.26 0.00 0.09 0.00 0.00 57.88 57.92 3ias h LEU 258 Cb 1.34 -0.01 -0.12 0.00 0.09 0.00 0.00 40.66 41.96 3ias h LEU 258 CO 0.47 0.86 -0.42 0.00 0.09 0.00 0.00 178.44 179.44 3ias h PRO 260 N 2.36 0.00 0.00 0.00 0.11 -1.80 -3.23 132.00 129.45 3ias h PRO 260 Ca -0.30 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.81 3ias h PRO 260 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3ias h PRO 260 CO 0.44 0.02 0.00 1.33 -0.21 0.00 0.00 178.00 179.58 3ias n VAL 261 N -3.15 0.79 -4.08 3.15 0.24 -1.26 -2.10 118.33 111.92 3ias n VAL 261 Ca -0.01 0.15 -0.37 0.00 -2.04 0.00 0.00 64.34 62.08 3ias n VAL 261 Cb 0.23 -1.08 -0.02 0.00 -1.47 0.00 0.00 33.84 31.50 3ias n VAL 261 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3ias n GLY 262 N 0.19 -0.54 3.45 7.63 0.00 -1.22 -4.74 105.19 109.96 3ias n GLY 262 Ca 0.03 0.28 -0.32 0.00 0.00 0.00 0.00 46.02 46.00 3ias n GLY 262 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ias s GLY 264 N -2.14 1.89 0.32 0.00 0.00 -1.26 -2.42 107.32 103.71 3ias s GLY 264 Ca 0.59 -0.47 0.08 0.00 0.00 0.00 0.00 44.72 44.93 3ias s GLY 264 CO 0.65 1.30 -0.08 -0.26 0.00 0.00 0.00 173.10 174.71 3ias s ILE 265 N 2.22 2.03 -0.06 0.90 -4.36 -0.72 -0.13 121.20 121.07 3ias s ILE 265 Ca 0.24 -2.18 0.05 0.00 -0.26 0.00 0.00 60.65 58.50 3ias s ILE 265 Cb -0.16 -2.58 -0.00 0.00 1.25 0.00 0.00 42.46 40.97 3ias s ILE 265 CO 0.09 -0.23 -0.22 -0.89 0.24 0.00 0.00 174.94 173.93 3ias s THR 266 N -2.75 1.80 -0.22 8.37 2.01 -0.69 -0.86 115.64 123.30 3ias s THR 266 Ca 0.31 -0.91 -0.04 0.00 0.31 0.00 0.00 61.69 61.37 3ias s THR 266 Cb 0.03 -1.54 -0.01 0.00 0.01 0.00 0.00 72.50 70.99 3ias s THR 266 CO 0.15 0.50 -0.04 0.00 -0.69 0.00 0.00 174.62 174.54 3ias s ALA 267 N 0.06 2.82 -0.11 7.40 0.00 -0.90 -2.20 121.76 128.82 3ias s ALA 267 Ca -0.07 -1.18 -0.22 0.00 0.00 0.00 0.00 51.96 50.49 3ias s ALA 267 Cb -0.14 -1.72 -0.03 0.00 0.00 0.00 0.00 23.12 21.23 3ias s ALA 267 CO 0.04 -0.45 0.65 -0.51 0.00 0.00 0.00 175.76 175.50 3ias s ASP 268 N 1.48 6.86 0.00 0.00 1.01 -0.50 -1.52 116.67 124.00 3ias s ASP 268 Ca 0.06 1.04 0.00 0.00 0.71 0.00 0.00 52.55 54.35 3ias s ASP 268 Cb -0.14 -2.38 -0.00 0.00 1.01 0.00 0.00 42.92 41.41 3ias s ASP 268 CO -0.03 -0.15 -0.01 0.42 0.21 0.00 0.00 175.17 175.61 3ias s THR 269 N 1.14 0.06 -0.04 -1.27 -4.23 -0.65 -2.15 115.64 108.50 3ias s THR 269 Ca 0.33 -0.08 -0.02 0.00 -1.18 0.00 0.00 61.69 60.74 3ias s THR 269 Cb -0.17 -0.07 0.03 0.00 1.34 0.00 0.00 72.50 73.63 3ias s THR 269 CO 0.14 -0.01 0.06 -0.60 -0.54 0.00 0.00 174.62 173.67 3ias s ARG 270 N -0.10 -0.06 -1.21 3.99 3.52 -1.00 -0.95 118.95 123.14 3ias s ARG 270 Ca -0.01 0.36 -0.06 0.00 -0.13 0.00 0.00 55.73 55.90 3ias s ARG 270 Cb -0.01 -0.51 0.01 0.00 -1.56 0.00 0.00 34.95 32.88 3ias s ARG 270 CO -0.00 -0.32 1.04 0.43 -0.81 0.00 0.00 175.30 175.64 3ias n SER 271 N 5.24 -4.71 0.00 -2.12 7.64 -1.26 -3.14 113.62 115.27 3ias n SER 271 Ca -0.04 -0.52 0.00 0.00 1.01 0.00 0.00 58.87 59.31 3ias n SER 271 Cb 0.50 -4.72 0.00 0.00 -1.01 0.00 0.00 64.21 58.98 3ias n SER 271 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3ias n GLY 272 N -1.64 0.61 3.35 0.23 0.00 -1.24 -4.99 105.19 101.52 3ias n GLY 272 Ca -0.08 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.64 3ias n GLY 272 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3ias s GLU 273 N -0.15 1.64 -0.38 1.61 -1.05 -1.19 -1.22 118.70 117.96 3ias s GLU 273 Ca 0.00 -1.17 -0.23 0.00 -0.15 0.00 0.00 54.97 53.42 3ias s GLU 273 Cb 0.00 -1.91 0.01 0.00 -0.44 0.00 0.00 34.13 31.79 3ias s GLU 273 CO 0.00 0.48 0.78 -1.17 0.95 0.00 0.00 175.26 176.30 3ias s LEU 274 N -1.49 4.16 -0.20 1.83 2.96 -1.26 -2.38 118.68 122.29 3ias s LEU 274 Ca 0.12 0.24 -0.20 0.00 -0.22 0.00 0.00 54.13 54.08 3ias s LEU 274 Cb -0.10 -3.00 -0.17 0.00 0.50 0.00 0.00 46.19 43.43 3ias s LEU 274 CO 0.03 -0.77 0.13 0.18 -1.32 0.00 0.00 176.35 174.61 3ias n LEU 275 N 6.47 1.86 -3.75 -0.68 7.99 -0.91 -4.88 117.00 123.09 3ias n LEU 275 Ca 0.03 0.45 -0.12 0.00 -0.01 0.00 0.00 56.01 56.35 3ias n LEU 275 Cb 0.48 -0.95 -0.08 0.00 -0.11 0.00 0.00 43.42 42.77 3ias n LEU 275 CO 0.55 0.19 0.03 -0.60 -1.51 0.00 0.00 177.39 176.05 3ias s ARG 276 N -2.36 0.78 0.00 3.23 3.52 -1.20 -4.29 118.95 118.63 3ias s ARG 276 Ca -0.27 -0.42 0.07 0.00 -0.13 0.00 0.00 55.73 54.98 3ias s ARG 276 Cb 0.06 0.34 -0.02 0.00 -1.56 0.00 0.00 34.95 33.77 3ias s ARG 276 CO 0.54 -0.24 -0.23 0.42 -0.81 0.00 0.00 175.30 174.97 3ias s ILE 277 N -2.25 1.84 0.18 4.11 -1.09 -1.26 -1.41 121.20 121.32 3ias s ILE 277 Ca -0.07 -1.07 -0.00 0.00 -2.23 0.00 0.00 60.65 57.27 3ias s ILE 277 Cb -0.02 -1.55 -0.04 0.00 -1.58 0.00 0.00 42.46 39.27 3ias s ILE 277 CO -0.01 0.45 0.07 -0.13 -1.23 0.00 0.00 174.94 174.09 3ias s ARG 278 N -0.74 1.13 0.43 2.79 0.52 -0.93 -4.95 118.95 117.19 3ias s ARG 278 Ca 0.09 -1.57 -0.22 0.00 -0.52 0.00 0.00 55.73 53.51 3ias s ARG 278 Cb -0.09 0.06 -0.10 0.00 0.52 0.00 0.00 34.95 35.34 3ias s ARG 278 CO -0.00 -0.28 1.00 0.00 0.02 0.00 0.00 175.30 176.04 3ias s ALA 279 N -3.95 3.02 -0.12 2.13 0.00 -1.26 -1.70 121.76 119.88 3ias s ALA 279 Ca 0.31 0.56 0.02 0.00 0.00 0.00 0.00 51.96 52.84 3ias s ALA 279 Cb 0.07 -3.22 0.02 0.00 0.00 0.00 0.00 23.12 19.99 3ias s ALA 279 CO 0.07 -0.09 -0.16 0.50 0.00 0.00 0.00 175.76 176.08 3ias s ARG 280 N -2.89 2.32 -0.03 0.00 3.52 0.81 -4.54 118.95 118.15 3ias s ARG 280 Ca 0.61 -0.59 -0.30 0.00 -0.13 0.00 0.00 55.73 55.32 3ias s ARG 280 Cb -0.16 -1.98 -0.06 0.00 -1.56 0.00 0.00 34.95 31.19 3ias s ARG 280 CO 0.20 -0.08 1.68 -2.00 -0.81 0.00 0.00 175.30 174.29 3ias s GLU 281 N 1.04 4.18 -0.43 5.12 2.12 -1.26 -4.37 118.70 125.11 3ias s GLU 281 Ca -0.05 2.25 0.07 0.00 0.36 0.00 0.00 54.97 57.60 3ias s GLU 281 Cb -0.15 -3.95 0.25 0.00 0.26 0.00 0.00 34.13 30.54 3ias s GLU 281 CO -0.03 -0.84 0.65 1.55 -0.54 0.00 0.00 175.26 176.06 3ias n VAL 282 N 5.37 -0.45 0.08 3.70 3.14 -0.83 -5.03 118.33 124.31 3ias n VAL 282 Ca 0.17 -3.12 0.21 0.00 -2.96 0.00 0.00 64.34 58.64 3ias n VAL 282 Cb 0.42 -0.72 0.74 0.00 -1.06 0.00 0.00 33.84 33.23 3ias n VAL 282 CO 0.00 0.00 0.00 1.55 -6.46 0.00 0.00 176.83 171.92 3ias h PRO 283 N 3.99 0.00 -0.51 1.45 0.13 -1.70 -1.68 132.00 133.69 3ias h PRO 283 Ca -0.01 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 65.14 3ias h PRO 283 Cb 0.93 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.03 3ias h PRO 283 CO 0.41 0.00 0.32 0.93 -0.23 0.00 0.00 178.00 179.43 3ias h GLU 284 N 0.00 0.62 0.00 0.86 4.39 -1.95 -3.43 114.58 115.07 3ias h GLU 284 Ca 0.21 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.87 3ias h GLU 284 Cb 1.12 -0.14 0.00 0.00 -0.10 0.00 0.00 28.75 29.63 3ias h GLU 284 CO -0.00 0.41 0.00 1.55 -1.16 0.00 0.00 179.01 179.81 3ias n VAL 285 N -4.77 0.00 -2.50 3.13 3.14 -0.63 -4.49 118.33 112.20 3ias n VAL 285 Ca 0.03 0.00 -0.39 0.00 -2.96 0.00 0.00 64.34 61.02 3ias n VAL 285 Cb 0.05 0.00 -0.04 0.00 -1.06 0.00 0.00 33.84 32.79 3ias n VAL 285 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 3ias s ASN 286 N -0.69 7.13 0.00 6.55 4.22 -1.24 -4.97 114.94 125.94 3ias s ASN 286 Ca 0.00 2.20 0.00 0.00 -2.14 0.00 0.00 52.86 52.92 3ias s ASN 286 Cb 0.00 -2.61 0.00 0.00 1.28 0.00 0.00 41.25 39.92 3ias s ASN 286 CO 0.00 -0.24 0.04 -0.62 -2.04 0.00 0.00 177.10 174.24 3ias n GLU 287 N 0.84 0.00 -0.32 3.55 1.02 -1.26 -3.83 120.64 120.64 3ias n GLU 287 Ca 0.01 0.00 0.03 0.00 -0.02 0.00 0.00 57.16 57.18 3ias n GLU 287 Cb 0.46 -0.33 0.04 0.00 -0.02 0.00 0.00 31.44 31.60 3ias n GLU 287 CO 0.00 0.00 0.00 0.44 1.18 0.00 0.00 177.13 178.75 3ias n ILE 288 N -0.26 0.62 -4.14 -3.67 -5.35 -1.26 -1.97 119.36 103.33 3ias n ILE 288 Ca 0.00 -0.74 -0.23 0.00 -0.27 0.00 0.00 62.75 61.52 3ias n ILE 288 Cb 0.00 0.30 -0.05 0.00 -1.74 0.00 0.00 39.64 38.15 3ias n ILE 288 CO 0.00 0.00 0.00 0.26 -1.76 0.00 0.00 176.55 175.05 3ias s TRP 289 N -0.93 3.05 -0.15 4.28 0.23 -1.26 -4.76 118.94 119.40 3ias s TRP 289 Ca 0.10 -0.11 -0.10 0.00 -2.03 0.00 0.00 56.10 53.96 3ias s TRP 289 Cb 0.09 -1.39 0.05 0.00 0.03 0.00 0.00 33.47 32.25 3ias s TRP 289 CO 0.01 0.53 0.37 0.42 0.96 0.00 0.00 176.95 179.24 3ias s ILE 290 N -2.09 -0.02 0.77 2.03 -1.09 -1.26 -4.87 121.20 114.66 3ias s ILE 290 Ca 0.32 0.08 -0.11 0.00 -2.23 0.00 0.00 60.65 58.71 3ias s ILE 290 Cb -0.08 -0.54 0.05 0.00 -1.58 0.00 0.00 42.46 40.31 3ias s ILE 290 CO 0.24 0.03 1.09 0.00 -1.23 0.00 0.00 174.94 175.07 3ias h ASP 292 N -1.10 1.04 -1.00 0.00 3.32 -1.79 -2.56 116.42 114.34 3ias h ASP 292 Ca -0.44 -0.02 0.03 0.00 0.02 0.00 0.00 57.03 56.62 3ias h ASP 292 Cb 1.23 -0.25 -0.06 0.00 0.22 0.00 0.00 39.33 40.47 3ias h ASP 292 CO 0.51 0.74 0.66 0.00 -1.72 0.00 0.00 179.24 179.43 3ias h ALA 293 N 1.35 1.33 0.00 3.45 0.00 -1.92 1.06 119.26 124.53 3ias h ALA 293 Ca 0.35 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 55.10 3ias h ALA 293 Cb -0.10 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.31 3ias h ALA 293 CO -0.09 0.58 -0.52 0.78 0.00 0.00 0.00 179.25 180.01 3ias h GLY 294 N 1.29 0.00 0.00 0.00 0.00 -1.84 -2.46 103.07 100.06 3ias h GLY 294 Ca 0.39 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.56 3ias h GLY 294 CO -0.11 0.00 -2.15 -2.13 0.00 0.00 0.00 176.54 172.14 3ias n ARG 295 N -3.85 0.68 0.00 4.80 0.63 -0.13 -4.44 116.66 114.36 3ias n ARG 295 Ca -0.01 -0.12 0.04 0.00 -0.92 0.00 0.00 57.85 56.84 3ias n ARG 295 Cb 0.54 -1.51 -0.04 0.00 0.45 0.00 0.00 32.46 31.89 3ias n ARG 295 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 3ias n PHE 296 N -2.46 0.00 -2.55 -0.14 3.72 0.35 -4.38 117.46 112.00 3ias n PHE 296 Ca -0.16 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.82 3ias n PHE 296 Cb 0.82 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 39.36 3ias n PHE 296 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3ias n GLY 297 N 1.17 5.29 0.02 1.37 0.00 -0.92 -4.10 105.19 108.01 3ias n GLY 297 Ca 0.02 -2.38 0.00 0.00 0.00 0.00 0.00 46.02 43.66 3ias n GLY 297 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 3ias n HIS 298 N 1.78 0.00 -0.28 1.61 1.44 -1.26 -4.80 115.22 113.71 3ias n HIS 298 Ca 0.41 -0.11 -0.04 0.00 -2.01 0.00 0.00 57.72 55.96 3ias n HIS 298 Cb 0.31 -0.01 0.10 0.00 0.12 0.00 0.00 29.99 30.50 3ias n HIS 298 CO 0.00 0.00 0.00 0.93 -2.81 0.00 0.00 176.34 174.46 3ias h GLU 299 N 0.00 1.16 0.11 -1.40 4.39 -1.86 -3.29 114.58 113.69 3ias h GLU 299 Ca 0.00 -0.18 -0.27 0.00 0.34 0.00 0.00 59.36 59.25 3ias h GLU 299 Cb 0.92 -0.20 0.01 0.00 -0.10 0.00 0.00 28.75 29.37 3ias h GLU 299 CO 0.00 0.91 -1.18 0.11 -1.16 0.00 0.00 179.01 177.69 3ias h TRP 300 N 1.15 0.56 -0.05 4.33 5.08 -1.87 -3.35 115.95 121.80 3ias h TRP 300 Ca 0.27 -0.38 0.04 0.00 1.08 0.00 0.00 58.89 59.90 3ias h TRP 300 Cb 0.15 -0.03 -0.05 0.00 -3.00 0.00 0.00 29.16 26.23 3ias h TRP 300 CO 0.02 1.27 -0.27 0.00 -1.28 0.00 0.00 178.44 178.18 3ias h ALA 301 N 0.59 -0.32 -0.01 0.11 0.00 -1.91 -2.84 119.26 114.87 3ias h ALA 301 Ca -0.13 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3ias h ALA 301 Cb 1.89 0.48 0.00 0.00 0.00 0.00 0.00 17.79 20.16 3ias h ALA 301 CO 0.20 -0.75 -0.06 -0.40 0.00 0.00 0.00 179.25 178.24 3ias n ASP 302 N -5.38 0.82 0.00 0.00 5.68 -1.26 -4.79 116.55 111.62 3ias n ASP 302 Ca -0.04 -1.07 0.00 0.00 -0.50 0.00 0.00 54.79 53.18 3ias n ASP 302 Cb 0.29 -0.01 0.00 0.00 -1.14 0.00 0.00 41.12 40.27 3ias n ASP 302 CO 0.00 0.00 0.00 1.67 -1.33 0.00 0.00 177.20 177.54 3ias n GLN 303 N -0.49 0.00 -2.21 0.11 -0.06 -1.07 -4.90 117.38 108.76 3ias n GLN 303 Ca 0.18 0.00 -0.42 0.00 -2.00 0.00 0.00 57.00 54.76 3ias n GLN 303 Cb 0.28 0.00 -0.03 0.00 -4.06 0.00 0.00 30.24 26.43 3ias n GLN 303 CO 0.00 0.00 0.00 -0.80 -0.20 0.00 0.00 177.06 176.06 3ias s ASN 304 N -1.00 6.86 -0.07 1.69 0.01 -1.26 -4.99 114.94 116.18 3ias s ASN 304 Ca 0.00 2.29 -0.31 0.00 -0.71 0.00 0.00 52.86 54.13 3ias s ASN 304 Cb 0.00 -2.59 0.08 0.00 0.41 0.00 0.00 41.25 39.16 3ias s ASN 304 CO 0.00 -0.62 0.76 -0.60 -1.51 0.00 0.00 177.10 175.13 3ias s ARG 305 N 1.03 0.95 -0.26 -0.60 3.52 -1.26 -4.90 118.95 117.43 3ias s ARG 305 Ca 0.63 0.22 -0.28 0.00 -0.13 0.00 0.00 55.73 56.17 3ias s ARG 305 Cb -0.36 0.45 0.01 0.00 -1.56 0.00 0.00 34.95 33.49 3ias s ARG 305 CO 0.31 -0.30 1.01 -1.17 -0.81 0.00 0.00 175.30 174.34 3ias s LEU 306 N -1.21 4.06 -0.00 -0.88 2.96 -0.63 -4.93 118.68 118.05 3ias s LEU 306 Ca -0.08 1.23 0.08 0.00 -0.22 0.00 0.00 54.13 55.14 3ias s LEU 306 Cb -0.00 -3.48 -0.09 0.00 0.50 0.00 0.00 46.19 43.12 3ias s LEU 306 CO 0.07 -0.70 0.36 0.29 -1.32 0.00 0.00 176.35 175.05 3ias n LYS 307 N 6.41 4.21 -3.79 1.98 5.02 -1.26 -4.68 118.16 126.04 3ias n LYS 307 Ca 0.11 -0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 56.26 3ias n LYS 307 Cb 0.47 -0.90 -0.15 0.00 -0.02 0.00 0.00 35.03 34.43 3ias n LYS 307 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 3ias s THR 308 N -1.80 -0.04 0.38 -0.18 -4.23 -1.26 -1.19 115.64 107.33 3ias s THR 308 Ca 0.03 0.13 -0.27 0.00 -1.18 0.00 0.00 61.69 60.40 3ias s THR 308 Cb 0.06 -0.12 -0.11 0.00 1.34 0.00 0.00 72.50 73.67 3ias s THR 308 CO 0.35 0.05 1.22 -0.81 -0.54 0.00 0.00 174.62 174.89 3ias n PRO 309 N 3.77 1.89 -4.88 3.99 -0.04 -1.26 -4.75 135.00 133.72 3ias n PRO 309 Ca -0.22 0.67 -0.32 0.00 -0.04 0.00 0.00 63.50 63.59 3ias n PRO 309 Cb 0.54 -2.27 -0.13 0.00 -0.04 0.00 0.00 33.50 31.60 3ias n PRO 309 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3ias s LEU 310 N -1.08 2.58 0.03 1.53 1.43 0.11 -1.31 118.68 121.97 3ias s LEU 310 Ca 0.59 -0.32 0.02 0.00 -1.03 0.00 0.00 54.13 53.39 3ias s LEU 310 Cb -0.55 -1.51 -0.02 0.00 0.03 0.00 0.00 46.19 44.14 3ias s LEU 310 CO 0.60 0.31 -0.08 0.54 0.23 0.00 0.00 176.35 177.95 3ias s VAL 311 N -0.78 0.54 -0.05 -1.59 0.11 -0.97 -1.07 120.40 116.59 3ias s VAL 311 Ca 0.12 -0.90 -0.28 0.00 -2.93 0.00 0.00 61.98 57.99 3ias s VAL 311 Cb -0.10 -0.58 -0.03 0.00 -1.53 0.00 0.00 36.38 34.14 3ias s VAL 311 CO 0.02 -0.26 0.93 -0.60 -3.33 0.00 0.00 175.10 171.86 3ias s ARG 312 N -1.26 4.48 0.00 1.54 3.52 -1.08 -1.67 118.95 124.48 3ias s ARG 312 Ca -0.07 1.29 0.00 0.00 -0.13 0.00 0.00 55.73 56.82 3ias s ARG 312 Cb -0.08 -3.49 0.00 0.00 -1.56 0.00 0.00 34.95 29.82 3ias s ARG 312 CO 0.00 -0.12 0.00 1.17 -0.81 0.00 0.00 175.30 175.54 3ias n LYS 313 N 4.26 0.00 -3.27 5.12 3.00 -0.67 -4.91 118.16 121.70 3ias n LYS 313 Ca 0.05 0.00 -0.38 0.00 -0.00 0.00 0.00 58.31 57.99 3ias n LYS 313 Cb 0.50 0.00 -0.03 0.00 0.00 0.00 0.00 35.03 35.50 3ias n LYS 313 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 3ias n GLU 314 N -1.04 3.54 -1.53 1.64 -0.58 -1.26 -4.74 120.64 116.66 3ias n GLU 314 Ca 0.00 -4.56 -0.17 0.00 -0.42 0.00 0.00 57.16 52.01 3ias n GLU 314 Cb 0.00 -2.43 -0.07 0.00 -0.57 0.00 0.00 31.44 28.37 3ias n GLU 314 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3ias n GLY 315 N 1.53 1.48 3.25 0.62 0.00 -1.26 -4.92 105.19 105.90 3ias n GLY 315 Ca 0.26 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.16 3ias n GLY 315 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3ias s ARG 316 N -3.50 0.79 0.12 1.61 1.70 -1.26 -5.09 118.95 113.32 3ias s ARG 316 Ca 0.00 -0.43 -0.16 0.00 -0.47 0.00 0.00 55.73 54.67 3ias s ARG 316 Cb 0.00 0.34 -0.07 0.00 -0.57 0.00 0.00 34.95 34.66 3ias s ARG 316 CO 0.00 -0.25 0.55 -0.51 -1.08 0.00 0.00 175.30 174.01 3ias s LEU 317 N -1.91 4.39 0.02 -1.89 2.01 -1.26 -1.67 118.68 118.37 3ias s LEU 317 Ca -0.07 1.13 0.00 0.00 0.01 0.00 0.00 54.13 55.20 3ias s LEU 317 Cb -0.02 -3.15 -0.02 0.00 0.01 0.00 0.00 46.19 43.02 3ias s LEU 317 CO -0.02 0.16 -0.03 -0.69 1.01 0.00 0.00 176.35 176.78 3ias s VAL 318 N -1.36 0.10 0.38 -1.59 1.01 -0.67 -4.94 120.40 113.33 3ias s VAL 318 Ca 0.35 -0.82 -0.24 0.00 0.00 0.00 0.00 61.98 61.27 3ias s VAL 318 Cb -0.16 -0.24 -0.13 0.00 0.00 0.00 0.00 36.38 35.86 3ias s VAL 318 CO 0.19 -0.45 0.75 -0.62 0.00 0.00 0.00 175.10 174.97 3ias n GLU 319 N 1.75 0.87 -3.66 2.72 1.02 -1.26 -2.29 120.64 119.79 3ias n GLU 319 Ca -0.23 0.31 -0.15 0.00 -0.02 0.00 0.00 57.16 57.07 3ias n GLU 319 Cb 0.56 -1.67 -0.08 0.00 -0.02 0.00 0.00 31.44 30.23 3ias n GLU 319 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3ias s ALA 320 N -1.30 -1.23 0.68 0.62 0.00 -0.43 -4.82 121.76 115.28 3ias s ALA 320 Ca 0.62 0.85 -0.13 0.00 0.00 0.00 0.00 51.96 53.30 3ias s ALA 320 Cb -0.64 -0.06 0.01 0.00 0.00 0.00 0.00 23.12 22.43 3ias s ALA 320 CO 0.58 -0.30 1.09 0.99 0.00 0.00 0.00 175.76 178.12 3ias s THR 321 N -1.09 3.43 0.53 0.00 2.01 -1.26 -4.07 115.64 115.19 3ias s THR 321 Ca -0.11 0.59 0.20 0.00 0.31 0.00 0.00 61.69 62.68 3ias s THR 321 Cb -0.03 -3.12 0.32 0.00 0.01 0.00 0.00 72.50 69.68 3ias s THR 321 CO 0.06 -0.49 2.11 -0.50 -0.69 0.00 0.00 174.62 175.11 3ias h TRP 322 N -0.30 0.00 0.55 4.92 4.06 -1.96 0.15 115.95 123.38 3ias h TRP 322 Ca -0.46 0.00 -0.03 0.00 2.06 0.00 0.00 58.89 60.47 3ias h TRP 322 Cb 1.23 0.00 0.01 0.00 -1.00 0.00 0.00 29.16 29.40 3ias h TRP 322 CO 0.57 0.00 -0.27 0.93 -3.56 0.00 0.00 178.44 176.11 3ias h GLU 323 N 0.00 -0.72 -0.16 0.49 4.39 -2.00 -1.02 114.58 115.56 3ias h GLU 323 Ca 0.08 0.05 0.04 0.00 0.34 0.00 0.00 59.36 59.87 3ias h GLU 323 Cb 0.34 0.16 -0.05 0.00 -0.10 0.00 0.00 28.75 29.10 3ias h GLU 323 CO -0.00 -0.47 -0.12 0.93 -1.16 0.00 0.00 179.01 178.20 3ias h GLU 324 N -0.77 -0.12 -0.28 2.33 5.08 -1.60 -2.84 114.58 116.37 3ias h GLU 324 Ca -0.08 0.01 0.06 0.00 -1.00 0.00 0.00 59.36 58.35 3ias h GLU 324 Cb 0.58 0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.81 3ias h GLU 324 CO 0.13 -0.08 -0.07 0.00 -1.00 0.00 0.00 179.01 177.98 3ias h ALA 325 N 1.00 0.18 -0.82 3.43 0.00 -0.70 -1.47 119.26 120.88 3ias h ALA 325 Ca 0.10 0.11 0.10 0.00 0.00 0.00 0.00 54.91 55.22 3ias h ALA 325 Cb 0.27 0.22 -0.06 0.00 0.00 0.00 0.00 17.79 18.22 3ias h ALA 325 CO -0.24 -0.47 0.53 0.35 0.00 0.00 0.00 179.25 179.43 3ias h PHE 326 N -0.01 0.82 -0.10 0.00 3.57 -0.99 0.50 116.94 120.73 3ias h PHE 326 Ca 0.14 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.60 3ias h PHE 326 Cb 0.21 -0.26 -0.00 0.00 2.79 0.00 0.00 35.95 38.69 3ias h PHE 326 CO -0.28 0.38 -0.16 -0.07 -2.23 0.00 0.00 178.31 175.95 3ias h LEU 327 N 0.76 0.31 -2.01 0.59 3.38 -1.16 -1.22 115.31 115.96 3ias h LEU 327 Ca 0.38 -0.54 -0.02 0.00 0.09 0.00 0.00 57.88 57.80 3ias h LEU 327 Cb 0.46 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.12 3ias h LEU 327 CO -0.15 0.78 -0.08 0.00 0.09 0.00 0.00 178.44 179.09 3ias h ALA 328 N 0.53 1.65 -0.03 1.53 0.00 -0.46 -1.33 119.26 121.15 3ias h ALA 328 Ca 0.01 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 3ias h ALA 328 Cb 0.72 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.50 3ias h ALA 328 CO 0.04 0.09 -0.01 1.25 0.00 0.00 0.00 179.25 180.62 3ias h LEU 329 N 0.00 0.07 -0.97 0.00 5.85 0.11 -2.92 115.31 117.44 3ias h LEU 329 Ca -0.00 -0.40 0.17 0.00 0.84 0.00 0.00 57.88 58.49 3ias h LEU 329 Cb 0.16 -0.02 -0.10 0.00 0.37 0.00 0.00 40.66 41.07 3ias h LEU 329 CO 0.01 0.46 0.57 0.11 -0.34 0.00 0.00 178.44 179.25 3ias h LYS 330 N -0.32 0.74 0.06 1.25 1.57 -0.39 -2.97 116.57 116.50 3ias h LYS 330 Ca 0.01 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.74 3ias h LYS 330 Cb 0.43 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.57 3ias h LYS 330 CO 0.00 0.49 -0.03 1.49 -0.57 0.00 0.00 179.45 180.83 3ias h GLU 331 N 0.76 -0.07 0.00 3.15 4.57 -1.15 0.07 114.58 121.91 3ias h GLU 331 Ca 0.55 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.73 3ias h GLU 331 Cb 0.80 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.41 3ias h GLU 331 CO -0.37 0.17 0.00 0.41 -1.18 0.00 0.00 179.01 178.04 3ias n GLY 332 N -0.49 -0.61 0.00 1.92 0.00 -1.12 -2.97 105.19 101.92 3ias n GLY 332 Ca -0.08 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.89 3ias n GLY 332 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3ias n LEU 333 N -1.29 0.41 0.04 0.99 4.77 -0.96 -4.71 117.00 116.24 3ias n LEU 333 Ca 0.04 -0.59 -0.11 0.00 -0.03 0.00 0.00 56.01 55.32 3ias n LEU 333 Cb 0.08 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.12 3ias n LEU 333 CO 0.07 0.10 0.79 0.50 -1.33 0.00 0.00 177.39 177.53 3ias h LYS 334 N 0.00 -0.16 -4.79 3.23 3.64 -0.88 -3.10 116.57 114.51 3ias h LYS 334 Ca 0.00 0.01 -0.72 0.00 -1.27 0.00 0.00 60.65 58.67 3ias h LYS 334 Cb 0.06 0.04 -0.13 0.00 -0.41 0.00 0.00 32.23 31.79 3ias h LYS 334 CO 0.00 -0.11 1.94 0.39 -2.27 0.00 0.00 179.45 179.40 3ias n GLU 335 N -5.23 3.30 -3.67 1.90 1.02 -1.26 -4.90 120.64 111.80 3ias n GLU 335 Ca -0.05 -3.48 -0.08 0.00 -0.02 0.00 0.00 57.16 53.53 3ias n GLU 335 Cb 0.16 -3.19 -0.09 0.00 -0.02 0.00 0.00 31.44 28.30 3ias n GLU 335 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3ias s ALA 336 N 2.36 -1.48 -0.10 0.62 0.00 -1.17 -5.08 121.76 116.90 3ias s ALA 336 Ca 0.46 1.98 -0.21 0.00 0.00 0.00 0.00 51.96 54.19 3ias s ALA 336 Cb 0.03 -1.23 -0.04 0.00 0.00 0.00 0.00 23.12 21.89 3ias s ALA 336 CO 0.02 -0.39 0.61 -0.98 0.00 0.00 0.00 175.76 175.02 3ias s ARG 337 N 1.67 4.38 0.00 0.00 3.03 -1.26 -4.95 118.95 121.82 3ias s ARG 337 Ca -0.09 0.70 0.00 0.00 2.03 0.00 0.00 55.73 58.37 3ias s ARG 337 Cb -0.07 -3.45 0.00 0.00 -1.03 0.00 0.00 34.95 30.39 3ias s ARG 337 CO -0.16 0.07 0.25 0.41 -1.13 0.00 0.00 175.30 174.73 3ias n GLY 338 N 3.22 0.00 0.01 3.88 0.00 -1.26 -0.93 105.19 110.11 3ias n GLY 338 Ca -0.03 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.07 3ias n GLY 338 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3ias n GLU 339 N -0.70 0.60 -0.00 1.61 0.00 -1.23 -3.83 120.64 117.08 3ias n GLU 339 Ca 0.00 -0.16 0.15 0.00 0.00 0.00 0.00 57.16 57.15 3ias n GLU 339 Cb 0.00 -1.44 0.71 0.00 0.00 0.00 0.00 31.44 30.71 3ias n GLU 339 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 3ias n GLU 340 N -2.17 1.34 -2.47 5.31 -0.58 -0.11 -4.43 120.64 117.52 3ias n GLU 340 Ca -0.05 -0.49 -0.40 0.00 -0.42 0.00 0.00 57.16 55.80 3ias n GLU 340 Cb 0.52 -1.48 -0.04 0.00 -0.57 0.00 0.00 31.44 29.87 3ias n GLU 340 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 3ias s VAL 341 N -1.99 3.53 -0.09 2.62 1.01 -1.25 -2.05 120.40 122.18 3ias s VAL 341 Ca 0.42 1.49 0.04 0.00 0.00 0.00 0.00 61.98 63.92 3ias s VAL 341 Cb 0.21 -3.95 0.00 0.00 0.00 0.00 0.00 36.38 32.64 3ias s VAL 341 CO 0.34 0.33 -0.20 -0.83 0.00 0.00 0.00 175.10 174.74 3ias s GLY 342 N -0.70 1.16 -0.17 4.51 0.00 0.36 -4.57 107.32 107.92 3ias s GLY 342 Ca 0.46 -0.81 0.01 0.00 0.00 0.00 0.00 44.72 44.38 3ias s GLY 342 CO 0.40 -0.22 -0.20 1.08 0.00 0.00 0.00 173.10 174.16 3ias s LEU 343 N 0.39 2.19 -0.25 0.66 1.43 -1.03 0.67 118.68 122.74 3ias s LEU 343 Ca -0.16 -0.61 -0.02 0.00 -1.03 0.00 0.00 54.13 52.31 3ias s LEU 343 Cb -0.17 -1.49 0.08 0.00 0.03 0.00 0.00 46.19 44.64 3ias s LEU 343 CO 0.07 0.03 0.07 -0.31 0.23 0.00 0.00 176.35 176.44 3ias s TYR 344 N 1.10 1.26 0.77 0.29 4.12 -0.22 -1.14 117.35 123.54 3ias s TYR 344 Ca 0.00 -1.24 -0.09 0.00 0.02 0.00 0.00 57.07 55.76 3ias s TYR 344 Cb -0.14 -1.30 0.09 0.00 -1.52 0.00 0.00 41.96 39.09 3ias s TYR 344 CO -0.08 -0.75 1.11 -0.51 0.02 0.00 0.00 175.55 175.34 3ias s LEU 345 N 1.77 2.72 0.38 -1.29 1.43 -0.74 -0.46 118.68 122.49 3ias s LEU 345 Ca 0.04 0.47 -0.07 0.00 -1.03 0.00 0.00 54.13 53.53 3ias s LEU 345 Cb -0.17 -2.96 -0.05 0.00 0.03 0.00 0.00 46.19 43.04 3ias s LEU 345 CO -0.18 -1.88 0.70 0.00 0.23 0.00 0.00 176.35 175.22 3ias s ALA 346 N -3.43 3.45 0.57 4.21 0.00 -1.26 -0.61 121.76 124.68 3ias s ALA 346 Ca 0.63 -0.39 0.27 0.00 0.00 0.00 0.00 51.96 52.47 3ias s ALA 346 Cb -0.09 -2.54 1.49 0.00 0.00 0.00 0.00 23.12 21.98 3ias s ALA 346 CO 0.47 0.00 1.99 1.12 0.00 0.00 0.00 175.76 179.34 3ias h HIS 347 N 1.17 0.00 -1.19 0.00 2.07 -1.90 0.21 115.15 115.51 3ias h HIS 347 Ca -0.47 0.00 -0.65 0.00 -2.85 0.00 0.00 60.37 56.40 3ias h HIS 347 Cb 1.19 0.00 -0.35 0.00 2.57 0.00 0.00 27.41 30.83 3ias h HIS 347 CO 0.59 0.00 0.17 -0.40 -3.07 0.00 0.00 177.93 175.22 3ias n ASP 348 N -4.01 6.42 -4.73 3.10 5.68 -1.26 -1.31 116.55 120.44 3ias n ASP 348 Ca 0.07 -3.78 -0.41 0.00 -0.50 0.00 0.00 54.79 50.17 3ias n ASP 348 Cb 0.56 -0.73 -0.04 0.00 -1.14 0.00 0.00 41.12 39.77 3ias n ASP 348 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3ias s ALA 349 N -3.77 3.31 1.16 2.12 0.00 0.06 -4.94 121.76 119.72 3ias s ALA 349 Ca 0.56 0.72 -0.13 0.00 0.00 0.00 0.00 51.96 53.11 3ias s ALA 349 Cb 0.45 -3.34 0.28 0.00 0.00 0.00 0.00 23.12 20.51 3ias s ALA 349 CO -0.10 -0.19 1.03 0.95 0.00 0.00 0.00 175.76 177.45 3ias s THR 350 N 0.17 2.01 0.36 0.00 -4.23 -1.26 -4.77 115.64 107.91 3ias s THR 350 Ca 0.50 0.00 0.10 0.00 -1.18 0.00 0.00 61.69 61.11 3ias s THR 350 Cb -0.27 -2.04 0.10 0.00 1.34 0.00 0.00 72.50 71.63 3ias s THR 350 CO 0.32 -0.00 1.83 0.25 -0.54 0.00 0.00 174.62 176.47 3ias h LEU 351 N -2.64 0.16 -0.03 4.79 5.85 -1.08 -2.20 115.31 120.16 3ias h LEU 351 Ca -0.61 -0.05 -0.06 0.00 0.84 0.00 0.00 57.88 58.00 3ias h LEU 351 Cb 1.33 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 42.32 3ias h LEU 351 CO 0.50 0.45 -0.22 -0.33 -0.34 0.00 0.00 178.44 178.49 3ias h GLU 352 N 0.14 0.20 -0.04 1.25 3.07 -1.90 -1.91 114.58 115.40 3ias h GLU 352 Ca 0.02 -0.18 0.01 0.00 -0.50 0.00 0.00 59.36 58.71 3ias h GLU 352 Cb 0.59 0.04 -0.00 0.00 -0.84 0.00 0.00 28.75 28.54 3ias h GLU 352 CO 0.04 0.85 0.04 0.93 -1.40 0.00 0.00 179.01 179.47 3ias h GLU 353 N -0.38 0.00 0.16 2.33 5.08 -1.87 0.77 114.58 120.67 3ias h GLU 353 Ca -0.02 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 58.10 3ias h GLU 353 Cb 0.90 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.17 3ias h GLU 353 CO 0.04 0.00 -1.09 0.78 -1.00 0.00 0.00 179.01 177.75 3ias h GLY 354 N 0.00 0.39 1.00 -3.84 0.00 -1.36 -2.83 103.07 96.42 3ias h GLY 354 Ca 0.02 -0.99 -0.03 0.00 0.00 0.00 0.00 47.33 46.33 3ias h GLY 354 CO -0.00 0.87 0.25 -2.00 0.00 0.00 0.00 176.54 175.65 3ias h LEU 355 N -0.25 0.82 0.42 3.11 5.85 -0.48 -1.23 115.31 123.56 3ias h LEU 355 Ca -0.20 -0.16 -0.02 0.00 0.84 0.00 0.00 57.88 58.33 3ias h LEU 355 Cb 1.78 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 42.60 3ias h LEU 355 CO 0.16 0.76 -0.20 0.25 -0.34 0.00 0.00 178.44 179.06 3ias h LEU 356 N 0.83 -0.48 -2.56 2.25 5.85 -1.00 -2.21 115.31 117.99 3ias h LEU 356 Ca 0.20 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.92 3ias h LEU 356 Cb 0.19 0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.34 3ias h LEU 356 CO -0.02 -0.32 0.01 0.00 -0.34 0.00 0.00 178.44 177.77 3ias h ALA 357 N -0.03 1.01 0.26 1.25 0.00 -1.34 -0.62 119.26 119.79 3ias h ALA 357 Ca -0.06 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 3ias h ALA 357 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.25 3ias h ALA 357 CO 0.10 -0.01 -0.12 1.03 0.00 0.00 0.00 179.25 180.24 3ias h SER 358 N 0.00 -0.29 -0.57 0.00 0.87 -0.63 -3.02 113.55 109.91 3ias h SER 358 Ca 0.00 0.01 0.01 0.00 -1.23 0.00 0.00 61.79 60.58 3ias h SER 358 Cb 0.03 0.08 -0.03 0.00 -0.44 0.00 0.00 62.40 62.03 3ias h SER 358 CO 0.00 0.11 0.38 -0.33 -0.53 0.00 0.00 176.83 176.46 3ias h GLU 359 N -0.98 0.74 0.00 2.24 4.39 -1.01 -0.61 114.58 119.35 3ias h GLU 359 Ca -0.04 -0.04 -0.03 0.00 0.34 0.00 0.00 59.36 59.59 3ias h GLU 359 Cb 0.26 -0.17 -0.00 0.00 -0.10 0.00 0.00 28.75 28.74 3ias h GLU 359 CO 0.06 0.49 -0.13 1.25 -1.16 0.00 0.00 179.01 179.52 3ias h LEU 360 N 0.77 0.00 0.00 1.33 5.85 -1.22 0.32 115.31 122.35 3ias h LEU 360 Ca 0.21 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.93 3ias h LEU 360 Cb -0.07 0.00 0.00 0.00 0.37 0.00 0.00 40.66 40.96 3ias h LEU 360 CO -0.05 0.13 -0.81 0.00 -0.34 0.00 0.00 178.44 177.37 3ias n ALA 361 N -2.34 4.19 0.03 1.25 0.00 -0.47 -2.68 120.51 120.49 3ias n ALA 361 Ca -0.02 -0.49 -0.02 0.00 0.00 0.00 0.00 53.44 52.91 3ias n ALA 361 Cb 0.23 -0.92 -0.01 0.00 0.00 0.00 0.00 19.45 18.75 3ias n ALA 361 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 3ias h LYS 362 N 0.00 -0.11 0.26 0.00 3.64 0.44 -2.72 116.57 118.08 3ias h LYS 362 Ca 0.00 0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.39 3ias h LYS 362 Cb 0.52 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.35 3ias h LYS 362 CO 0.00 -0.07 -0.23 0.00 -2.27 0.00 0.00 179.45 176.88 3ias h ALA 363 N -1.55 -0.50 -0.57 5.00 0.00 -1.29 -3.11 119.26 117.24 3ias h ALA 363 Ca -0.01 -0.08 -0.42 0.00 0.00 0.00 0.00 54.91 54.40 3ias h ALA 363 Cb 0.09 0.32 -0.05 0.00 0.00 0.00 0.00 17.79 18.15 3ias h ALA 363 CO 0.02 -0.81 1.35 -1.17 0.00 0.00 0.00 179.25 178.64 3ias s LEU 364 N -10.20 3.25 -0.86 0.00 2.96 -1.09 -4.88 118.68 107.85 3ias s LEU 364 Ca -0.16 -1.84 -0.22 0.00 -0.22 0.00 0.00 54.13 51.69 3ias s LEU 364 Cb 0.06 -2.59 -0.22 0.00 0.50 0.00 0.00 46.19 43.95 3ias s LEU 364 CO 0.64 -2.60 2.40 0.29 -1.32 0.00 0.00 176.35 175.77 3ias n LYS 365 N 8.32 0.31 -4.11 1.98 5.02 -1.17 -4.41 118.16 124.10 3ias n LYS 365 Ca 0.46 -0.19 -0.12 0.00 -2.02 0.00 0.00 58.31 56.43 3ias n LYS 365 Cb 0.46 -2.17 -0.11 0.00 -0.02 0.00 0.00 35.03 33.20 3ias n LYS 365 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 3ias s THR 366 N 7.87 0.61 -0.20 -0.18 -1.32 -1.03 -3.55 115.64 117.84 3ias s THR 366 Ca 1.18 -1.42 0.08 0.00 -1.21 0.00 0.00 61.69 60.33 3ias s THR 366 Cb -0.68 -1.04 -0.22 0.00 -1.51 0.00 0.00 72.50 69.06 3ias s THR 366 CO 0.39 -0.57 0.04 -0.81 -2.21 0.00 0.00 174.62 171.46 3ias n PRO 367 N 0.87 0.68 -3.24 7.08 -0.04 -1.26 -4.84 135.00 134.25 3ias n PRO 367 Ca -0.19 0.12 -0.46 0.00 -0.04 0.00 0.00 63.50 62.93 3ias n PRO 367 Cb 0.57 -1.57 -0.02 0.00 -0.04 0.00 0.00 33.50 32.44 3ias n PRO 367 CO 0.00 0.00 0.00 -3.38 -0.04 0.00 0.00 175.50 172.08 3ias s HIS 368 N -2.52 3.61 -0.07 0.54 -3.43 -1.26 -0.31 115.29 111.85 3ias s HIS 368 Ca -0.21 -1.84 0.03 0.00 -0.80 0.00 0.00 55.06 52.23 3ias s HIS 368 Cb 0.08 -3.93 0.01 0.00 -1.43 0.00 0.00 32.58 27.31 3ias s HIS 368 CO 0.73 -1.11 -0.15 -0.48 -2.00 0.00 0.00 174.74 171.73 3ias s LEU 369 N 0.76 1.77 0.25 5.38 2.34 -1.26 -2.47 118.68 125.45 3ias s LEU 369 Ca 0.21 -0.37 -0.05 0.00 0.06 0.00 0.00 54.13 53.98 3ias s LEU 369 Cb -0.09 -0.98 -0.02 0.00 -0.56 0.00 0.00 46.19 44.53 3ias s LEU 369 CO -0.09 0.07 0.32 -0.62 -1.06 0.00 0.00 176.35 174.98 3ias s ASP 370 N 0.56 0.26 0.08 1.48 2.15 -0.29 -1.43 116.67 119.47 3ias s ASP 370 Ca -0.15 -1.25 0.07 0.00 0.43 0.00 0.00 52.55 51.65 3ias s ASP 370 Cb -0.16 0.51 -0.03 0.00 -0.30 0.00 0.00 42.92 42.94 3ias s ASP 370 CO 0.05 -1.04 -0.18 0.72 -0.17 0.00 0.00 175.17 174.55 3ias s PHE 371 N -3.90 1.59 0.19 -5.34 -0.71 -1.23 -1.79 117.98 106.79 3ias s PHE 371 Ca 0.31 -0.41 -0.16 0.00 -1.04 0.00 0.00 56.93 55.64 3ias s PHE 371 Cb 0.03 -0.90 0.19 0.00 -1.21 0.00 0.00 43.02 41.13 3ias s PHE 371 CO 0.13 0.13 1.33 0.94 -1.34 0.00 0.00 175.22 176.40 3ias n GLN 372 N 1.39 -0.21 -0.19 1.99 7.27 0.22 -1.36 117.38 126.49 3ias n GLN 372 Ca -0.19 1.31 0.08 0.00 0.07 0.00 0.00 57.00 58.28 3ias n GLN 372 Cb 0.54 -1.95 0.24 0.00 2.41 0.00 0.00 30.24 31.48 3ias n GLN 372 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3ias n GLY 373 N -1.39 0.94 3.70 1.69 0.00 -1.26 -4.90 105.19 103.96 3ias n GLY 373 Ca 0.08 -0.49 -0.63 0.00 0.00 0.00 0.00 46.02 44.98 3ias n GLY 373 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3ias n ARG 374 N 0.74 0.37 -2.91 1.61 0.63 -0.46 -4.28 116.66 112.36 3ias n ARG 374 Ca 0.16 0.14 -0.40 0.00 -0.92 0.00 0.00 57.85 56.82 3ias n ARG 374 Cb 0.38 -1.69 -0.06 0.00 0.45 0.00 0.00 32.46 31.55 3ias n ARG 374 CO 0.00 0.00 0.00 0.95 -2.51 0.00 0.00 177.63 176.07 3ias s THR 375 N 2.61 4.37 0.38 5.15 -4.23 -1.26 -4.94 115.64 117.72 3ias s THR 375 Ca 1.00 1.80 0.13 0.00 -1.18 0.00 0.00 61.69 63.45 3ias s THR 375 Cb -1.33 -4.19 0.35 0.00 1.34 0.00 0.00 72.50 68.67 3ias s THR 375 CO 0.72 0.48 1.84 0.00 -0.54 0.00 0.00 174.62 177.12 3ias h ALA 376 N 4.59 2.00 -2.97 3.99 0.00 -1.80 -3.32 119.26 121.74 3ias h ALA 376 Ca -0.46 0.03 -0.70 0.00 0.00 0.00 0.00 54.91 53.78 3ias h ALA 376 Cb 1.21 -0.06 -0.28 0.00 0.00 0.00 0.00 17.79 18.65 3ias h ALA 376 CO 0.68 -0.30 -0.54 0.00 0.00 0.00 0.00 179.25 179.09 3ias s ALA 377 N -5.59 3.17 0.04 0.00 0.00 -0.84 -3.25 121.76 115.30 3ias s ALA 377 Ca -0.09 -1.96 -0.35 0.00 0.00 0.00 0.00 51.96 49.56 3ias s ALA 377 Cb 0.23 -2.46 -0.14 0.00 0.00 0.00 0.00 23.12 20.75 3ias s ALA 377 CO 0.79 -1.50 1.59 -2.30 0.00 0.00 0.00 175.76 174.34 3ias n PRO 378 N 4.86 1.77 0.30 0.00 -0.02 -1.25 -4.84 135.00 135.82 3ias n PRO 378 Ca -0.11 0.64 0.18 0.00 -2.02 0.00 0.00 63.50 62.19 3ias n PRO 378 Cb 0.44 -2.38 0.93 0.00 -0.02 0.00 0.00 33.50 32.47 3ias n PRO 378 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ias h ALA 379 N 6.33 1.16 0.00 3.55 0.00 -1.93 -0.07 119.26 128.29 3ias h ALA 379 Ca -0.47 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.41 3ias h ALA 379 Cb 1.29 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.07 3ias h ALA 379 CO 0.88 0.05 0.00 0.43 0.00 0.00 0.00 179.25 180.60 3ias n SER 380 N -3.36 0.44 -0.03 0.00 7.64 -1.26 -2.73 113.62 114.32 3ias n SER 380 Ca -0.02 0.65 -0.13 0.00 1.01 0.00 0.00 58.87 60.38 3ias n SER 380 Cb 0.17 -0.73 -0.08 0.00 -1.01 0.00 0.00 64.21 62.55 3ias n SER 380 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 3ias h LEU 381 N 0.00 -1.49 -9.95 -3.43 -0.00 -1.11 -3.21 115.31 96.12 3ias h LEU 381 Ca 0.00 0.18 -0.47 0.00 -0.00 0.00 0.00 57.88 57.59 3ias h LEU 381 Cb 0.17 0.59 -0.02 0.00 -0.00 0.00 0.00 40.66 41.40 3ias h LEU 381 CO 0.00 -0.40 0.29 -0.36 -0.00 0.00 0.00 178.44 177.97 3ias s PHE 382 N -5.28 3.54 -0.15 1.13 0.40 -1.11 -4.65 117.98 111.86 3ias s PHE 382 Ca -0.13 1.62 -0.29 0.00 -0.60 0.00 0.00 56.93 57.53 3ias s PHE 382 Cb 0.06 -2.82 -0.03 0.00 0.51 0.00 0.00 43.02 40.74 3ias s PHE 382 CO 0.52 0.12 1.47 -1.25 0.70 0.00 0.00 175.22 176.78 3ias s PRO 383 N -2.47 4.09 0.26 0.24 0.04 -1.26 -4.92 135.00 130.99 3ias s PRO 383 Ca 0.53 1.80 -0.30 0.00 0.04 0.00 0.00 61.00 63.07 3ias s PRO 383 Cb -0.15 -3.91 -0.14 0.00 0.04 0.00 0.00 34.50 30.35 3ias s PRO 383 CO 0.19 -0.92 1.24 -2.30 0.04 0.00 0.00 177.00 175.26 3ias n PRO 384 N 7.07 1.72 -4.70 0.56 -0.02 -1.26 -1.63 135.00 136.75 3ias n PRO 384 Ca 0.16 0.61 -0.33 0.00 -2.02 0.00 0.00 63.50 61.92 3ias n PRO 384 Cb 0.44 -2.15 -0.14 0.00 -0.02 0.00 0.00 33.50 31.63 3ias n PRO 384 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ias s ALA 385 N -0.54 2.68 0.62 3.55 0.00 -1.04 -4.71 121.76 122.32 3ias s ALA 385 Ca 0.64 -0.88 -0.17 0.00 0.00 0.00 0.00 51.96 51.55 3ias s ALA 385 Cb -0.68 -1.28 -0.02 0.00 0.00 0.00 0.00 23.12 21.14 3ias s ALA 385 CO 0.55 0.23 1.15 0.45 0.00 0.00 0.00 175.76 178.14 3ias s SER 386 N 0.37 5.23 0.53 0.00 0.15 -1.26 -4.59 113.70 114.13 3ias s SER 386 Ca -0.10 2.17 0.31 0.00 0.70 0.00 0.00 55.95 59.04 3ias s SER 386 Cb -0.16 -2.57 1.42 0.00 -1.71 0.00 0.00 66.02 63.00 3ias s SER 386 CO 0.05 -1.56 2.02 -0.07 1.20 0.00 0.00 173.24 174.88 3ias h LEU 387 N 0.55 0.00 0.39 3.45 4.07 -1.94 -2.21 115.31 119.62 3ias h LEU 387 Ca -0.49 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 57.45 3ias h LEU 387 Cb 1.27 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.01 3ias h LEU 387 CO 0.55 0.09 -0.19 -0.08 -1.08 0.00 0.00 178.44 177.73 3ias h GLU 388 N 0.00 -0.51 -0.64 1.13 4.57 -1.91 -3.15 114.58 114.07 3ias h GLU 388 Ca -0.00 0.03 0.12 0.00 -1.18 0.00 0.00 59.36 58.33 3ias h GLU 388 Cb 0.46 0.11 -0.08 0.00 -0.16 0.00 0.00 28.75 29.08 3ias h GLU 388 CO 0.01 -0.29 0.20 -0.44 -1.18 0.00 0.00 179.01 177.31 3ias h ASP 389 N -0.60 0.13 -1.00 1.04 3.32 -1.78 -1.67 116.42 115.86 3ias h ASP 389 Ca -0.05 0.10 0.25 0.00 0.02 0.00 0.00 57.03 57.35 3ias h ASP 389 Cb 0.45 0.11 -0.08 0.00 0.22 0.00 0.00 39.33 40.03 3ias h ASP 389 CO 0.09 0.07 0.66 0.25 -1.72 0.00 0.00 179.24 178.58 3ias h LEU 390 N 0.35 0.39 -0.31 1.55 5.85 -1.41 0.15 115.31 121.88 3ias h LEU 390 Ca 0.34 0.06 -0.14 0.00 0.84 0.00 0.00 57.88 58.98 3ias h LEU 390 Cb 0.49 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.49 3ias h LEU 390 CO -0.38 0.11 -0.66 -0.07 -0.34 0.00 0.00 178.44 177.10 3ias h LEU 391 N 0.37 0.00 -1.77 2.25 3.38 -1.32 -3.26 115.31 114.96 3ias h LEU 391 Ca 0.54 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.51 3ias h LEU 391 Cb 1.44 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.19 3ias h LEU 391 CO -0.23 0.66 -0.07 0.00 0.09 0.00 0.00 178.44 178.90 3ias n GLN 392 N -3.42 2.09 -1.07 1.13 6.02 0.28 -4.82 117.38 117.58 3ias n GLN 392 Ca 0.00 -1.75 -0.29 0.00 -0.01 0.00 0.00 57.00 54.95 3ias n GLN 392 Cb 0.74 -1.45 0.21 0.00 1.02 0.00 0.00 30.24 30.76 3ias n GLN 392 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3ias s ALA 393 N -2.01 0.64 -0.38 -1.58 0.00 0.13 -4.99 121.76 113.56 3ias s ALA 393 Ca 0.26 -0.54 0.05 0.00 0.00 0.00 0.00 51.96 51.73 3ias s ALA 393 Cb 0.19 -3.05 -0.02 0.00 0.00 0.00 0.00 23.12 20.24 3ias s ALA 393 CO 0.33 -3.22 0.37 -0.25 0.00 0.00 0.00 175.76 172.99 3ias n ASP 394 N -4.47 0.65 -3.52 0.00 8.00 -0.65 -4.98 116.55 111.59 3ias n ASP 394 Ca 0.07 -0.83 -0.18 0.00 0.71 0.00 0.00 54.79 54.57 3ias n ASP 394 Cb 0.58 0.65 -0.06 0.00 -0.02 0.00 0.00 41.12 42.27 3ias n ASP 394 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 3ias s PHE 395 N -1.10 -0.65 -0.27 1.24 5.36 -1.26 -4.88 117.98 116.42 3ias s PHE 395 Ca 0.03 1.09 0.02 0.00 -0.96 0.00 0.00 56.93 57.11 3ias s PHE 395 Cb 0.04 0.42 0.08 0.00 -0.34 0.00 0.00 43.02 43.21 3ias s PHE 395 CO 0.15 -0.61 -0.01 0.00 -1.46 0.00 0.00 175.22 173.29 3ias s ALA 396 N -1.27 2.19 -0.45 11.12 0.00 -0.57 -1.49 121.76 131.29 3ias s ALA 396 Ca -0.10 -1.73 -0.17 0.00 0.00 0.00 0.00 51.96 49.96 3ias s ALA 396 Cb -0.00 -1.60 0.04 0.00 0.00 0.00 0.00 23.12 21.56 3ias s ALA 396 CO 0.09 -1.38 0.45 -1.17 0.00 0.00 0.00 175.76 173.75 3ias s LEU 397 N 1.28 5.10 -0.14 0.00 2.96 -1.00 -0.17 118.68 126.71 3ias s LEU 397 Ca 0.00 -0.91 -0.03 0.00 -0.22 0.00 0.00 54.13 52.97 3ias s LEU 397 Cb -0.19 -2.32 -0.03 0.00 0.50 0.00 0.00 46.19 44.15 3ias s LEU 397 CO -0.09 -0.65 -0.04 -0.69 -1.32 0.00 0.00 176.35 173.56 3ias s VAL 398 N 2.06 3.86 -0.56 1.68 1.01 0.13 -1.09 120.40 127.50 3ias s VAL 398 Ca 0.10 -0.38 0.05 0.00 0.00 0.00 0.00 61.98 61.75 3ias s VAL 398 Cb -0.19 -2.67 0.18 0.00 0.00 0.00 0.00 36.38 33.70 3ias s VAL 398 CO 0.11 0.52 0.45 0.18 0.00 0.00 0.00 175.10 176.36 3ias n LEU 399 N 3.23 1.39 0.00 3.92 4.32 -0.31 -0.04 117.00 129.52 3ias n LEU 399 Ca -0.18 -4.83 0.00 0.00 -0.02 0.00 0.00 56.01 50.98 3ias n LEU 399 Cb 0.53 -0.11 0.00 0.00 -1.62 0.00 0.00 43.42 42.22 3ias n LEU 399 CO 0.32 1.84 0.00 0.61 -1.22 0.00 0.00 177.39 178.93 3ias n GLY 400 N 2.24 2.91 3.29 -0.72 0.00 -0.47 -2.56 105.19 109.88 3ias n GLY 400 Ca 0.25 -1.46 -0.43 0.00 0.00 0.00 0.00 46.02 44.38 3ias n GLY 400 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3ias s ASP 401 N 0.00 5.97 0.31 1.61 2.15 -1.26 -4.77 116.67 120.68 3ias s ASP 401 Ca 0.00 -1.68 0.04 0.00 0.43 0.00 0.00 52.55 51.34 3ias s ASP 401 Cb 0.00 -2.12 0.65 0.00 -0.30 0.00 0.00 42.92 41.15 3ias s ASP 401 CO 0.00 -0.72 1.86 -0.65 -0.17 0.00 0.00 175.17 175.49 3ias h PRO 402 N 8.67 0.86 0.00 4.34 0.11 -1.96 -1.24 132.00 142.79 3ias h PRO 402 Ca -0.26 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.80 3ias h PRO 402 Cb 1.09 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 32.01 3ias h PRO 402 CO 0.91 0.57 0.17 1.15 -0.21 0.00 0.00 178.00 180.59 3ias h THR 403 N 0.89 0.00 0.00 -1.15 2.02 -1.84 -2.05 112.91 110.78 3ias h THR 403 Ca 0.46 0.00 -0.09 0.00 0.77 0.00 0.00 66.41 67.55 3ias h THR 403 Cb 0.52 0.51 -0.01 0.00 -1.74 0.00 0.00 68.15 67.42 3ias h THR 403 CO -0.22 0.00 -1.16 -0.62 0.37 0.00 0.00 175.52 173.89 3ias n GLU 404 N -2.39 0.13 -0.17 6.66 -0.58 -0.79 -4.47 120.64 119.03 3ias n GLU 404 Ca -0.02 0.06 -0.10 0.00 -0.42 0.00 0.00 57.16 56.68 3ias n GLU 404 Cb 0.20 -0.72 0.00 0.00 -0.57 0.00 0.00 31.44 30.35 3ias n GLU 404 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 3ias h GLU 405 N -0.23 0.90 -1.55 3.49 5.08 -1.20 -3.31 114.58 117.77 3ias h GLU 405 Ca -0.13 -0.32 -0.42 0.00 -1.00 0.00 0.00 59.36 57.50 3ias h GLU 405 Cb 0.98 -0.07 -0.29 0.00 0.50 0.00 0.00 28.75 29.87 3ias h GLU 405 CO -0.08 0.96 -0.81 0.00 -1.00 0.00 0.00 179.01 178.08 3ias n ALA 406 N -2.46 0.90 -0.21 3.43 0.00 -0.80 -4.69 120.51 116.69 3ias n ALA 406 Ca 0.01 -2.39 -0.05 0.00 0.00 0.00 0.00 53.44 51.00 3ias n ALA 406 Cb 0.35 -1.04 -0.05 0.00 0.00 0.00 0.00 19.45 18.71 3ias n ALA 406 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3ias n PRO 407 N 2.32 -0.22 -0.31 0.00 -0.02 -1.02 -1.30 135.00 134.45 3ias n PRO 407 Ca 0.21 1.22 0.35 0.00 -2.02 0.00 0.00 63.50 63.27 3ias n PRO 407 Cb 0.54 -1.81 0.71 0.00 -0.02 0.00 0.00 33.50 32.92 3ias n PRO 407 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 3ias h ILE 408 N 0.00 0.25 -0.78 4.25 5.03 -1.93 0.24 117.51 124.57 3ias h ILE 408 Ca 0.08 0.00 0.14 0.00 -0.12 0.00 0.00 64.86 64.96 3ias h ILE 408 Cb 0.20 0.30 -0.09 0.00 -3.03 0.00 0.00 36.82 34.20 3ias h ILE 408 CO -0.46 0.00 0.35 -0.07 -0.68 0.00 0.00 178.15 177.29 3ias h LEU 409 N 0.00 0.38 -0.72 1.44 3.38 -1.50 0.12 115.31 118.42 3ias h LEU 409 Ca 0.56 0.10 0.14 0.00 0.09 0.00 0.00 57.88 58.77 3ias h LEU 409 Cb 2.48 0.05 -0.14 0.00 0.09 0.00 0.00 40.66 43.14 3ias h LEU 409 CO -0.01 0.16 -0.18 -0.74 0.09 0.00 0.00 178.44 177.76 3ias h HIS 410 N 0.52 -0.39 0.00 1.13 2.76 -0.69 0.15 115.15 118.63 3ias h HIS 410 Ca 0.42 0.06 -0.08 0.00 -2.20 0.00 0.00 60.37 58.58 3ias h HIS 410 Cb 0.61 0.29 -0.01 0.00 1.55 0.00 0.00 27.41 29.84 3ias h HIS 410 CO -0.13 -0.31 -0.36 -0.07 -1.30 0.00 0.00 177.93 175.75 3ias h LEU 411 N -0.00 0.00 0.01 0.26 3.38 -1.11 -0.84 115.31 117.00 3ias h LEU 411 Ca 0.34 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 58.05 3ias h LEU 411 Cb 0.53 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.28 3ias h LEU 411 CO -0.74 0.36 -1.13 0.03 0.09 0.00 0.00 178.44 177.05 3ias h ARG 412 N 0.00 0.36 0.00 1.13 2.47 -0.68 -3.00 114.38 114.66 3ias h ARG 412 Ca -0.00 -0.50 -0.01 0.00 -1.26 0.00 0.00 59.98 58.21 3ias h ARG 412 Cb 0.70 0.17 -0.00 0.00 -1.65 0.00 0.00 29.97 29.19 3ias h ARG 412 CO 0.05 1.19 -0.03 -0.07 0.56 0.00 0.00 179.97 181.67 3ias h LEU 413 N 0.15 0.00 -0.26 3.04 3.38 -0.32 0.17 115.31 121.47 3ias h LEU 413 Ca -0.12 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.65 3ias h LEU 413 Cb 1.82 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.57 3ias h LEU 413 CO 0.19 0.03 -0.60 -1.28 0.09 0.00 0.00 178.44 176.88 3ias h SER 414 N 0.00 0.97 0.57 -0.43 0.87 -1.04 0.39 113.55 114.88 3ias h SER 414 Ca -0.00 -0.56 -0.08 0.00 -1.23 0.00 0.00 61.79 59.92 3ias h SER 414 Cb 0.43 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 62.09 3ias h SER 414 CO 0.00 1.35 -0.40 -0.33 -0.53 0.00 0.00 176.83 176.93 3ias h GLU 415 N 0.64 0.00 -0.11 2.24 5.08 -1.21 -3.11 114.58 118.11 3ias h GLU 415 Ca -0.00 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.25 3ias h GLU 415 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.47 3ias h GLU 415 CO 0.13 0.40 -0.36 0.35 -1.00 0.00 0.00 179.01 178.53 3ias h PHE 416 N 0.00 0.58 0.00 4.33 3.57 -0.38 -1.99 116.94 123.05 3ias h PHE 416 Ca -0.00 -0.24 0.00 0.00 3.53 0.00 0.00 57.97 61.26 3ias h PHE 416 Cb 0.79 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 39.44 3ias h PHE 416 CO 0.00 0.98 0.00 0.28 -2.23 0.00 0.00 178.31 177.34 3ias n VAL 417 N -4.36 0.62 0.00 1.41 0.31 0.10 -1.47 118.33 114.94 3ias n VAL 417 Ca -0.08 0.15 0.08 0.00 -0.01 0.00 0.00 64.34 64.49 3ias n VAL 417 Cb 0.52 -0.88 0.19 0.00 -0.91 0.00 0.00 33.84 32.75 3ias n VAL 417 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3ias n ARG 418 N -1.34 2.41 -1.74 5.55 1.74 -1.13 -2.10 116.66 120.05 3ias n ARG 418 Ca 0.07 -2.11 -0.21 0.00 -0.77 0.00 0.00 57.85 54.83 3ias n ARG 418 Cb 0.14 -1.39 -0.08 0.00 -1.02 0.00 0.00 32.46 30.12 3ias n ARG 418 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 3ias n ASP 419 N 1.02 -5.56 -4.80 0.55 9.92 -0.54 -4.96 116.55 112.18 3ias n ASP 419 Ca 0.16 0.42 -0.35 0.00 -0.53 0.00 0.00 54.79 54.49 3ias n ASP 419 Cb 0.49 -4.83 -0.05 0.00 -0.64 0.00 0.00 41.12 36.10 3ias n ASP 419 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 3ias s LEU 420 N -4.92 3.96 0.00 0.64 1.43 -0.76 -5.05 118.68 113.98 3ias s LEU 420 Ca 0.00 1.89 0.01 0.00 -1.03 0.00 0.00 54.13 55.00 3ias s LEU 420 Cb 0.00 -4.44 -0.00 0.00 0.03 0.00 0.00 46.19 41.78 3ias s LEU 420 CO 0.00 -0.58 -0.03 -0.54 0.23 0.00 0.00 176.35 175.43 3ias s LYS 421 N -2.98 0.28 -0.44 1.70 1.02 -1.26 -4.69 119.74 113.37 3ias s LYS 421 Ca 0.63 -0.16 -0.40 0.00 0.02 0.00 0.00 55.97 56.06 3ias s LYS 421 Cb -0.16 -0.25 -0.17 0.00 -0.52 0.00 0.00 37.83 36.73 3ias s LYS 421 CO 0.20 0.07 1.65 -2.30 -0.92 0.00 0.00 175.35 174.05 3ias n PRO 422 N 2.89 0.00 -0.90 -1.68 -0.02 -1.26 -4.88 135.00 129.16 3ias n PRO 422 Ca -0.13 0.00 -0.32 0.00 -2.02 0.00 0.00 63.50 61.03 3ias n PRO 422 Cb 0.59 -1.31 0.15 0.00 -0.02 0.00 0.00 33.50 32.90 3ias n PRO 422 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3ias s PRO 423 N 4.03 1.34 0.34 0.52 0.04 -1.26 -4.96 135.00 135.05 3ias s PRO 423 Ca 0.99 1.59 -0.29 0.00 0.04 0.00 0.00 61.00 63.33 3ias s PRO 423 Cb -1.31 -1.76 -0.11 0.00 0.04 0.00 0.00 34.50 31.37 3ias s PRO 423 CO 0.64 -2.40 1.37 -1.01 0.04 0.00 0.00 177.00 175.64 3ias s HIS 424 N -2.50 2.90 0.03 0.56 3.76 -1.26 -5.00 115.29 113.78 3ias s HIS 424 Ca 0.68 1.33 -0.24 0.00 -0.15 0.00 0.00 55.06 56.69 3ias s HIS 424 Cb -0.24 -3.79 -0.05 0.00 1.11 0.00 0.00 32.58 29.60 3ias s HIS 424 CO 0.55 -2.24 0.72 1.03 -0.85 0.00 0.00 174.74 173.96 3ias s ARG 425 N -1.87 4.45 0.44 1.40 0.52 -1.26 -4.56 118.95 118.07 3ias s ARG 425 Ca 0.50 0.98 0.04 0.00 -0.52 0.00 0.00 55.73 56.73 3ias s ARG 425 Cb -0.42 -3.36 0.04 0.00 0.52 0.00 0.00 34.95 31.73 3ias s ARG 425 CO 0.56 0.30 0.34 0.66 0.02 0.00 0.00 175.30 177.18 3ias n TYR 426 N 2.81 -0.82 0.32 -0.53 4.02 -1.17 -4.93 117.16 116.85 3ias n TYR 426 Ca -0.03 -1.87 0.21 0.00 -0.01 0.00 0.00 57.90 56.20 3ias n TYR 426 Cb 0.50 -0.37 1.14 0.00 -0.02 0.00 0.00 39.34 40.60 3ias n TYR 426 CO 0.00 0.00 0.00 -0.91 -1.01 0.00 0.00 176.86 174.94 3ias h ASN 427 N 0.51 0.00 -0.20 7.72 4.21 -1.91 -0.50 115.58 125.40 3ias h ASN 427 Ca -0.28 0.00 -0.04 0.00 1.21 0.00 0.00 56.30 57.19 3ias h ASN 427 Cb 1.03 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 38.20 3ias h ASN 427 CO 0.44 0.00 -0.04 0.00 -1.29 0.00 0.00 177.43 176.54 3ias n HIS 428 N -2.98 0.70 -4.21 1.19 1.44 -1.26 -5.03 115.22 105.06 3ias n HIS 428 Ca -0.03 -1.08 0.00 0.00 -2.01 0.00 0.00 57.72 54.60 3ias n HIS 428 Cb 0.08 -0.31 0.00 0.00 0.12 0.00 0.00 29.99 29.88 3ias n HIS 428 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 3ias n GLY 429 N -0.90 -0.61 3.64 -1.39 0.00 -0.20 -4.82 105.19 100.91 3ias n GLY 429 Ca 0.22 -1.12 -0.64 0.00 0.00 0.00 0.00 46.02 44.49 3ias n GLY 429 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3ias n THR 430 N 0.00 0.01 -2.28 2.61 -1.04 -1.26 -3.06 114.28 109.26 3ias n THR 430 Ca 0.00 -0.00 -0.39 0.00 -2.04 0.00 0.00 64.05 61.62 3ias n THR 430 Cb 0.00 -0.31 -0.02 0.00 -1.82 0.00 0.00 70.33 68.17 3ias n THR 430 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 3ias s PRO 431 N 1.68 4.23 -0.03 -2.82 0.04 -1.26 -4.97 135.00 131.86 3ias s PRO 431 Ca 0.98 1.92 -0.25 0.00 0.04 0.00 0.00 61.00 63.70 3ias s PRO 431 Cb -1.38 -2.86 -0.20 0.00 0.04 0.00 0.00 34.50 30.11 3ias s PRO 431 CO 0.70 -0.20 1.15 0.74 0.04 0.00 0.00 177.00 179.44 3ias h PHE 432 N 3.02 -0.07 -3.56 0.56 -1.00 -1.89 -3.39 116.94 110.62 3ias h PHE 432 Ca -0.48 -0.00 -0.66 0.00 2.81 0.00 0.00 57.97 59.64 3ias h PHE 432 Cb 1.23 0.02 -0.40 0.00 3.61 0.00 0.00 35.95 40.41 3ias h PHE 432 CO 0.56 0.44 -0.66 0.00 -1.61 0.00 0.00 178.31 177.04 3ias s ALA 433 N -4.03 3.09 -0.44 2.45 0.00 -1.26 -3.34 121.76 118.23 3ias s ALA 433 Ca -0.15 -2.84 -0.23 0.00 0.00 0.00 0.00 51.96 48.74 3ias s ALA 433 Cb 0.01 -2.10 0.02 0.00 0.00 0.00 0.00 23.12 21.06 3ias s ALA 433 CO 0.63 -1.83 0.78 0.34 0.00 0.00 0.00 175.76 175.68 3ias s ASP 434 N 0.52 6.42 0.35 0.00 -1.08 -1.26 -4.15 116.67 117.48 3ias s ASP 434 Ca 0.13 -0.07 0.27 0.00 -0.52 0.00 0.00 52.55 52.36 3ias s ASP 434 Cb -0.22 -2.39 1.17 0.00 -1.46 0.00 0.00 42.92 40.03 3ias s ASP 434 CO -0.05 -0.90 1.80 -0.07 0.52 0.00 0.00 175.17 176.47 3ias h LEU 435 N 10.10 0.00 -0.91 -1.34 -0.00 -1.91 -2.45 115.31 118.81 3ias h LEU 435 Ca -0.25 0.00 0.13 0.00 -0.00 0.00 0.00 57.88 57.76 3ias h LEU 435 Cb 1.09 0.00 -0.09 0.00 -0.00 0.00 0.00 40.66 41.66 3ias h LEU 435 CO 0.96 0.00 0.53 -0.61 -0.00 0.00 0.00 178.44 179.31 3ias h GLN 436 N 0.00 0.78 -5.73 1.13 4.15 -1.90 -3.38 115.11 110.16 3ias h GLN 436 Ca 0.00 -0.05 -0.63 0.00 0.77 0.00 0.00 58.65 58.75 3ias h GLN 436 Cb 0.32 -0.17 -0.13 0.00 0.21 0.00 0.00 27.48 27.71 3ias h GLN 436 CO 0.00 0.51 0.39 0.42 -1.93 0.00 0.00 178.83 178.22 3ias s ILE 437 N -5.97 4.59 0.06 2.39 1.01 -0.92 -5.04 121.20 117.33 3ias s ILE 437 Ca -0.12 0.30 -0.04 0.00 0.00 0.00 0.00 60.65 60.78 3ias s ILE 437 Cb 0.22 -4.38 -0.05 0.00 0.01 0.00 0.00 42.46 38.25 3ias s ILE 437 CO 0.79 -0.84 0.29 -0.54 0.00 0.00 0.00 174.94 174.64 3ias s LYS 438 N 3.42 3.56 0.40 2.79 -0.14 -1.26 -3.92 119.74 124.58 3ias s LYS 438 Ca 0.29 -0.17 -0.26 0.00 -1.36 0.00 0.00 55.97 54.46 3ias s LYS 438 Cb -0.13 -3.00 -0.09 0.00 -1.68 0.00 0.00 37.83 32.94 3ias s LYS 438 CO 0.21 0.58 1.29 -2.00 -0.76 0.00 0.00 175.35 174.67 3ias s GLU 439 N -2.24 3.99 -1.14 1.68 2.12 -1.26 -3.73 118.70 118.13 3ias s GLU 439 Ca 0.34 2.13 -0.06 0.00 0.36 0.00 0.00 54.97 57.74 3ias s GLU 439 Cb -0.13 -2.77 -0.03 0.00 0.26 0.00 0.00 34.13 31.46 3ias s GLU 439 CO 0.22 -0.46 0.87 -2.13 -0.54 0.00 0.00 175.26 173.22 3ias n ARG 440 N 0.16 -3.42 -1.73 4.30 3.00 -1.26 -4.97 116.66 112.74 3ias n ARG 440 Ca 0.04 0.75 -0.30 0.00 -0.00 0.00 0.00 57.85 58.33 3ias n ARG 440 Cb 0.44 -5.42 0.06 0.00 0.00 0.00 0.00 32.46 27.54 3ias n ARG 440 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.63 175.99 3ias s MET 441 N -5.15 2.63 -0.03 -0.14 -1.94 -1.24 -5.04 119.30 108.39 3ias s MET 441 Ca 0.29 0.60 -0.22 0.00 -1.71 0.00 0.00 55.69 54.64 3ias s MET 441 Cb -0.06 -1.98 -0.05 0.00 2.01 0.00 0.00 34.83 34.75 3ias s MET 441 CO 0.77 -1.23 0.65 -1.25 -0.01 0.00 0.00 175.02 173.96 3ias s PRO 442 N -5.24 4.39 -0.27 2.03 0.04 -1.26 -5.06 135.00 129.64 3ias s PRO 442 Ca 0.59 0.82 -0.10 0.00 0.04 0.00 0.00 61.00 62.35 3ias s PRO 442 Cb -0.13 -3.39 -0.04 0.00 0.04 0.00 0.00 34.50 30.98 3ias s PRO 442 CO 0.53 0.23 0.16 1.03 0.04 0.00 0.00 177.00 178.98 3ias s ARG 443 N 0.26 3.89 -0.06 4.56 0.52 -1.26 -4.71 118.95 122.16 3ias s ARG 443 Ca 0.34 -0.35 -0.30 0.00 -0.52 0.00 0.00 55.73 54.90 3ias s ARG 443 Cb -0.18 -3.57 -0.03 0.00 0.52 0.00 0.00 34.95 31.70 3ias s ARG 443 CO 0.18 -0.15 1.09 1.03 0.02 0.00 0.00 175.30 177.46 3ias s ARG 444 N 1.64 4.42 0.00 3.54 0.52 -0.89 -4.93 118.95 123.25 3ias s ARG 444 Ca 0.07 1.52 0.24 0.00 -0.52 0.00 0.00 55.73 57.04 3ias s ARG 444 Cb -0.16 -3.52 0.63 0.00 0.52 0.00 0.00 34.95 32.43 3ias s ARG 444 CO 0.09 -0.32 1.50 0.25 0.02 0.00 0.00 175.30 176.84 3ias n THR 445 N 4.42 0.19 0.67 0.02 -2.24 -1.26 -3.97 114.28 112.11 3ias n THR 445 Ca 0.09 -0.45 0.12 0.00 -2.27 0.00 0.00 64.05 61.54 3ias n THR 445 Cb 0.48 0.77 0.21 0.00 -2.10 0.00 0.00 70.33 69.69 3ias n THR 445 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3ias n ASP 446 N 0.77 3.07 -0.94 3.42 5.75 -1.26 -1.21 116.55 126.15 3ias n ASP 446 Ca 0.17 -1.95 0.12 0.00 -0.01 0.00 0.00 54.79 53.12 3ias n ASP 446 Cb 0.46 -0.15 0.19 0.00 -1.03 0.00 0.00 41.12 40.58 3ias n ASP 446 CO 0.00 0.00 0.00 1.17 -0.11 0.00 0.00 177.20 178.26 3ias n LYS 447 N 1.29 2.28 -3.64 0.11 4.81 -1.25 -4.97 118.16 116.77 3ias n LYS 447 Ca 0.17 -1.88 -0.15 0.00 -0.87 0.00 0.00 58.31 55.58 3ias n LYS 447 Cb 0.57 -1.47 -0.07 0.00 0.02 0.00 0.00 35.03 34.07 3ias n LYS 447 CO 0.00 0.00 0.00 1.41 1.17 0.00 0.00 177.40 179.98 3ias s MET 448 N -1.87 0.84 -0.07 1.64 0.00 -1.26 -1.50 119.30 117.08 3ias s MET 448 Ca 0.32 0.12 0.01 0.00 0.00 0.00 0.00 55.69 56.14 3ias s MET 448 Cb 0.21 0.39 0.02 0.00 0.00 0.00 0.00 34.83 35.45 3ias s MET 448 CO 0.31 -0.24 -0.07 0.00 0.00 0.00 0.00 175.02 175.03 3ias s ALA 449 N -1.08 0.96 -0.22 4.11 0.00 0.76 -3.81 121.76 122.49 3ias s ALA 449 Ca -0.11 -0.26 0.02 0.00 0.00 0.00 0.00 51.96 51.61 3ias s ALA 449 Cb -0.03 -0.60 0.04 0.00 0.00 0.00 0.00 23.12 22.54 3ias s ALA 449 CO 0.06 -0.12 -0.13 -1.17 0.00 0.00 0.00 175.76 174.40 3ias s LEU 450 N 1.14 2.68 -0.20 0.00 1.98 -0.71 0.22 118.68 123.80 3ias s LEU 450 Ca -0.07 -1.02 -0.01 0.00 -2.89 0.00 0.00 54.13 50.14 3ias s LEU 450 Cb -0.14 -1.42 0.01 0.00 0.66 0.00 0.00 46.19 45.30 3ias s LEU 450 CO -0.01 -0.13 -0.13 -0.36 -1.89 0.00 0.00 176.35 173.84 3ias s PHE 451 N 1.26 2.87 0.04 5.38 0.08 0.95 -2.29 117.98 126.26 3ias s PHE 451 Ca -0.03 -1.32 -0.26 0.00 0.12 0.00 0.00 56.93 55.44 3ias s PHE 451 Cb -0.17 -2.01 0.06 0.00 -0.57 0.00 0.00 43.02 40.34 3ias s PHE 451 CO -0.08 -0.69 0.61 0.00 -0.10 0.00 0.00 175.22 174.96 3ias s ALA 452 N 1.38 -1.60 -1.57 5.36 0.00 -1.15 -1.37 121.76 122.81 3ias s ALA 452 Ca 0.05 0.88 0.00 0.00 0.00 0.00 0.00 51.96 52.90 3ias s ALA 452 Cb -0.14 0.35 0.00 0.00 0.00 0.00 0.00 23.12 23.34 3ias s ALA 452 CO -0.08 -0.52 0.17 -0.35 0.00 0.00 0.00 175.76 174.97 3ias n PRO 453 N 0.42 0.00 -3.86 0.00 -0.04 -1.26 -2.99 135.00 127.27 3ias n PRO 453 Ca -0.18 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.18 3ias n PRO 453 Cb 0.60 -1.21 0.01 0.00 -0.04 0.00 0.00 33.50 32.86 3ias n PRO 453 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 3ias s TYR 454 N -1.66 0.26 -0.99 0.54 -0.85 -1.26 -4.65 117.35 108.73 3ias s TYR 454 Ca 0.00 -0.86 -0.24 0.00 -0.52 0.00 0.00 57.07 55.45 3ias s TYR 454 Cb 0.00 0.68 -0.06 0.00 0.38 0.00 0.00 41.96 42.96 3ias s TYR 454 CO 0.00 -1.49 1.95 0.50 -1.52 0.00 0.00 175.55 175.00 3ias s ARG 455 N -2.51 2.51 0.76 -3.49 6.06 -1.26 -4.76 118.95 116.25 3ias s ARG 455 Ca 0.18 -0.56 -0.13 0.00 -2.50 0.00 0.00 55.73 52.72 3ias s ARG 455 Cb -0.04 -5.12 0.05 0.00 0.06 0.00 0.00 34.95 29.90 3ias s ARG 455 CO 0.13 -3.61 1.14 0.00 -2.50 0.00 0.00 175.30 170.46 3ias s ALA 456 N 10.52 2.12 0.14 6.12 0.00 -1.26 -4.94 121.76 134.47 3ias s ALA 456 Ca 0.70 0.59 -0.13 0.00 0.00 0.00 0.00 51.96 53.12 3ias s ALA 456 Cb -0.05 -3.38 0.01 0.00 0.00 0.00 0.00 23.12 19.70 3ias s ALA 456 CO 0.04 -1.86 1.59 -1.35 0.00 0.00 0.00 175.76 174.18 3ias h PRO 457 N -0.72 0.84 -0.33 0.00 0.11 -2.00 -2.88 132.00 127.02 3ias h PRO 457 Ca -0.45 -0.27 0.00 0.00 0.11 0.00 0.00 66.00 65.39 3ias h PRO 457 Cb 1.26 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3ias h PRO 457 CO 0.50 0.89 0.00 1.28 -0.21 0.00 0.00 178.00 180.45 3ias n LEU 458 N -4.35 0.36 0.09 2.35 4.32 -1.26 -2.94 117.00 115.57 3ias n LEU 458 Ca 0.00 -0.18 0.12 0.00 -0.02 0.00 0.00 56.01 55.94 3ias n LEU 458 Cb 0.31 -0.17 0.45 0.00 -1.62 0.00 0.00 43.42 42.40 3ias n LEU 458 CO 0.42 0.09 0.87 0.80 -1.22 0.00 0.00 177.39 178.35 3ias n MET 459 N -0.32 0.17 0.05 3.23 1.56 -1.09 -3.12 117.12 117.60 3ias n MET 459 Ca 0.00 0.27 -0.08 0.00 -0.27 0.00 0.00 57.70 57.62 3ias n MET 459 Cb 0.09 -1.76 0.08 0.00 2.15 0.00 0.00 33.22 33.78 3ias n MET 459 CO 0.00 0.00 0.00 -0.22 -0.73 0.00 0.00 175.97 175.02 3ias h LYS 460 N 0.00 0.39 -0.62 2.12 1.63 -1.76 -2.69 116.57 115.64 3ias h LYS 460 Ca 0.00 -0.27 -0.16 0.00 -0.85 0.00 0.00 60.65 59.37 3ias h LYS 460 Cb 0.52 0.04 -0.09 0.00 -0.60 0.00 0.00 32.23 32.09 3ias h LYS 460 CO 0.00 0.88 0.17 0.91 -3.45 0.00 0.00 179.45 177.97 3ias n TRP 461 N -3.90 2.10 -3.98 1.91 8.01 -1.18 -4.84 117.44 115.56 3ias n TRP 461 Ca -0.03 -1.13 -0.31 0.00 -1.31 0.00 0.00 57.50 54.72 3ias n TRP 461 Cb 0.63 -0.60 -0.15 0.00 -2.01 0.00 0.00 31.31 29.18 3ias n TRP 461 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 3ias s ALA 462 N -2.97 2.30 0.05 6.99 0.00 -1.02 -4.47 121.76 122.64 3ias s ALA 462 Ca 0.53 -1.75 -0.32 0.00 0.00 0.00 0.00 51.96 50.41 3ias s ALA 462 Cb 0.42 -1.61 -0.18 0.00 0.00 0.00 0.00 23.12 21.76 3ias s ALA 462 CO 0.12 -1.34 1.44 0.00 0.00 0.00 0.00 175.76 175.99 3ias h ALA 463 N 7.84 -1.27 -1.95 0.00 0.00 -1.26 -3.38 119.26 119.24 3ias h ALA 463 Ca -0.15 -0.26 -0.57 0.00 0.00 0.00 0.00 54.91 53.94 3ias h ALA 463 Cb 1.05 0.45 -0.05 0.00 0.00 0.00 0.00 17.79 19.24 3ias h ALA 463 CO 0.45 -1.19 1.00 0.42 0.00 0.00 0.00 179.25 179.94 3ias s ILE 464 N -5.48 4.06 -0.28 0.00 -1.09 -1.26 -4.97 121.20 112.18 3ias s ILE 464 Ca -0.17 1.19 -0.22 0.00 -2.23 0.00 0.00 60.65 59.22 3ias s ILE 464 Cb 0.02 -4.10 0.10 0.00 -1.58 0.00 0.00 42.46 36.89 3ias s ILE 464 CO 0.51 -0.48 0.83 -1.38 -1.23 0.00 0.00 174.94 173.20 3ias s HIS 465 N 4.58 -0.74 0.01 3.97 -3.43 -1.26 -1.75 115.29 116.67 3ias s HIS 465 Ca 0.59 1.66 -0.15 0.00 -0.80 0.00 0.00 55.06 56.35 3ias s HIS 465 Cb -0.17 0.39 0.03 0.00 -1.43 0.00 0.00 32.58 31.39 3ias s HIS 465 CO 0.25 -0.36 0.33 -2.00 -2.00 0.00 0.00 174.74 170.96 3ias s GLU 466 N 0.77 0.75 -0.15 -0.38 2.12 -0.97 -4.98 118.70 115.86 3ias s GLU 466 Ca -0.03 -0.28 -0.18 0.00 0.36 0.00 0.00 54.97 54.84 3ias s GLU 466 Cb -0.05 0.33 -0.04 0.00 0.26 0.00 0.00 34.13 34.63 3ias s GLU 466 CO -0.08 -0.22 0.49 0.08 -0.54 0.00 0.00 175.26 174.99 3ias s VAL 467 N -1.77 5.16 0.22 3.70 1.01 -1.26 -2.94 120.40 124.52 3ias s VAL 467 Ca -0.10 0.95 0.01 0.00 0.00 0.00 0.00 61.98 62.84 3ias s VAL 467 Cb -0.03 -3.82 0.01 0.00 0.00 0.00 0.00 36.38 32.53 3ias s VAL 467 CO 0.02 0.27 0.07 0.00 0.00 0.00 0.00 175.10 175.46 3ias n HIS 468 N 4.10 -0.18 -3.93 5.22 1.44 -1.16 -4.99 115.22 115.72 3ias n HIS 468 Ca -0.06 -1.01 -0.22 0.00 -2.01 0.00 0.00 57.72 54.42 3ias n HIS 468 Cb 0.51 -0.16 -0.04 0.00 0.12 0.00 0.00 29.99 30.42 3ias n HIS 468 CO 0.00 0.00 0.00 -0.98 -2.81 0.00 0.00 176.34 172.55 3ias s ARG 469 N -2.83 2.70 0.63 -1.40 1.70 -1.26 -4.22 118.95 114.27 3ias s ARG 469 Ca 0.05 -1.28 -0.18 0.00 -0.47 0.00 0.00 55.73 53.85 3ias s ARG 469 Cb -0.00 -2.44 -0.15 0.00 -0.57 0.00 0.00 34.95 31.78 3ias s ARG 469 CO 0.03 0.17 -0.28 -2.30 -1.08 0.00 0.00 175.30 171.85 3ias n PRO 470 N -1.29 0.01 -3.04 3.89 -0.02 -1.26 -3.20 135.00 130.09 3ias n PRO 470 Ca -0.03 0.00 -0.10 0.00 -2.02 0.00 0.00 63.50 61.35 3ias n PRO 470 Cb 0.60 -1.02 0.00 0.00 -0.02 0.00 0.00 33.50 33.06 3ias n PRO 470 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ias n GLY 471 N 2.73 -0.46 0.00 -1.23 0.00 -1.26 -4.78 105.19 100.20 3ias n GLY 471 Ca 0.06 0.21 0.00 0.00 0.00 0.00 0.00 46.02 46.29 3ias n GLY 471 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3ias n GLU 472 N -1.36 0.00 0.25 1.61 2.13 -1.19 -4.79 120.64 117.29 3ias n GLU 472 Ca -0.11 0.00 0.09 0.00 0.66 0.00 0.00 57.16 57.80 3ias n GLU 472 Cb 0.25 -0.39 0.66 0.00 0.27 0.00 0.00 31.44 32.22 3ias n GLU 472 CO 0.00 0.00 0.00 1.05 -0.41 0.00 0.00 177.13 177.77 3ias h GLU 473 N 0.00 0.00 -1.01 5.31 9.09 -1.86 -2.67 114.58 123.44 3ias h GLU 473 Ca 0.00 0.00 0.24 0.00 0.05 0.00 0.00 59.36 59.65 3ias h GLU 473 Cb 0.42 0.00 -0.11 0.00 -1.65 0.00 0.00 28.75 27.40 3ias h GLU 473 CO 0.00 0.11 0.62 0.07 0.05 0.00 0.00 179.01 179.86 3ias h ARG 474 N 0.00 0.55 0.13 1.06 0.11 -1.94 0.43 114.38 114.72 3ias h ARG 474 Ca -0.00 -0.03 -0.29 0.00 0.10 0.00 0.00 59.98 59.75 3ias h ARG 474 Cb 0.23 -0.12 0.00 0.00 1.11 0.00 0.00 29.97 31.18 3ias h ARG 474 CO 0.01 0.37 -1.40 0.93 0.10 0.00 0.00 179.97 179.98 3ias h GLU 475 N 0.57 0.28 -0.33 0.08 5.08 -1.86 -2.46 114.58 115.94 3ias h GLU 475 Ca 0.62 -0.47 -0.06 0.00 -1.00 0.00 0.00 59.36 58.44 3ias h GLU 475 Cb 1.23 0.18 -0.01 0.00 0.50 0.00 0.00 28.75 30.65 3ias h GLU 475 CO -0.41 1.18 -0.04 0.82 -1.00 0.00 0.00 179.01 179.56 3ias h ILE 476 N 0.08 1.27 -0.96 3.13 5.03 -1.27 0.04 117.51 124.82 3ias h ILE 476 Ca -0.20 -1.05 0.00 0.00 -0.12 0.00 0.00 64.86 63.49 3ias h ILE 476 Cb 2.01 1.30 -0.05 0.00 -3.03 0.00 0.00 36.82 37.05 3ias h ILE 476 CO 0.19 0.34 0.61 -0.07 -0.68 0.00 0.00 178.15 178.54 3ias h LEU 477 N 0.39 1.13 0.61 1.44 4.07 -0.28 -1.02 115.31 121.66 3ias h LEU 477 Ca 0.09 -0.05 -0.03 0.00 0.08 0.00 0.00 57.88 57.97 3ias h LEU 477 Cb 0.51 -0.29 -0.00 0.00 1.08 0.00 0.00 40.66 41.97 3ias h LEU 477 CO 0.02 0.85 -0.36 0.25 -1.08 0.00 0.00 178.44 178.12 3ias h LEU 478 N 1.32 -0.90 -0.68 1.67 6.46 -1.19 -2.49 115.31 119.50 3ias h LEU 478 Ca 0.35 0.05 0.15 0.00 -0.12 0.00 0.00 57.88 58.31 3ias h LEU 478 Cb -0.10 0.26 -0.12 0.00 -0.73 0.00 0.00 40.66 39.97 3ias h LEU 478 CO -0.07 -0.57 -0.00 0.00 -0.62 0.00 0.00 178.44 177.18 3ias h ALA 479 N -0.59 0.68 -0.74 1.25 0.00 -0.63 -0.61 119.26 118.62 3ias h ALA 479 Ca -0.08 0.21 0.08 0.00 0.00 0.00 0.00 54.91 55.13 3ias h ALA 479 Cb 0.74 0.37 -0.07 0.00 0.00 0.00 0.00 17.79 18.83 3ias h ALA 479 CO 0.09 -0.40 0.40 -0.07 0.00 0.00 0.00 179.25 179.27 3ias h LEU 480 N 0.11 0.57 -0.78 0.00 3.38 -1.02 -1.14 115.31 116.42 3ias h LEU 480 Ca 0.36 0.05 0.13 0.00 0.09 0.00 0.00 57.88 58.50 3ias h LEU 480 Cb 0.61 -0.06 -0.09 0.00 0.09 0.00 0.00 40.66 41.21 3ias h LEU 480 CO -0.60 0.34 0.38 -0.07 0.09 0.00 0.00 178.44 178.58 3ias h LEU 481 N 0.70 0.45 0.00 1.67 3.38 -0.65 -3.46 115.31 117.40 3ias h LEU 481 Ca 0.35 0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.41 3ias h LEU 481 Cb 0.30 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.07 3ias h LEU 481 CO -0.23 0.21 0.00 0.61 0.09 0.00 0.00 178.44 179.12 3ias n GLY 482 N -1.32 1.14 1.36 0.83 0.00 -0.43 -5.04 105.19 101.72 3ias n GLY 482 Ca 0.14 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.28 3ias n GLY 482 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3ias n ASP 483 N 0.00 4.01 -3.06 1.61 8.00 -1.24 -5.00 116.55 120.88 3ias n ASP 483 Ca 0.00 -2.05 -0.07 0.00 0.71 0.00 0.00 54.79 53.38 3ias n ASP 483 Cb 0.00 -0.49 0.02 0.00 -0.02 0.00 0.00 41.12 40.63 3ias n ASP 483 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3ias s LYS 484 N -1.09 2.02 -0.19 -1.24 -0.14 -1.26 -4.94 119.74 112.91 3ias s LYS 484 Ca 0.49 -1.29 -0.03 0.00 -1.36 0.00 0.00 55.97 53.77 3ias s LYS 484 Cb 0.26 0.57 -0.02 0.00 -1.68 0.00 0.00 37.83 36.96 3ias s LYS 484 CO 0.32 -0.95 -0.05 -2.00 -0.76 0.00 0.00 175.35 171.91 3ias s GLU 485 N -2.35 3.49 0.09 1.68 2.12 -1.26 -4.76 118.70 117.71 3ias s GLU 485 Ca 0.17 -0.59 0.01 0.00 0.36 0.00 0.00 54.97 54.91 3ias s GLU 485 Cb -0.05 -2.93 0.01 0.00 0.26 0.00 0.00 34.13 31.42 3ias s GLU 485 CO 0.10 0.01 0.05 0.41 -0.54 0.00 0.00 175.26 175.29 3ias n GLY 486 N 4.20 3.30 3.34 -1.50 0.00 -1.26 -5.01 105.19 108.26 3ias n GLY 486 Ca -0.18 -2.21 -0.29 0.00 0.00 0.00 0.00 46.02 43.35 3ias n GLY 486 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3ias n SER 487 N -1.72 -2.70 -0.13 1.61 3.41 -1.26 -4.70 113.62 108.12 3ias n SER 487 Ca -0.01 -0.41 -0.06 0.00 -0.26 0.00 0.00 58.87 58.13 3ias n SER 487 Cb 0.11 -1.11 0.03 0.00 -0.26 0.00 0.00 64.21 62.98 3ias n SER 487 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 3ias h GLU 488 N -2.94 0.37 -0.16 4.33 5.08 -2.00 -2.02 114.58 117.24 3ias h GLU 488 Ca -0.54 -0.02 0.05 0.00 -1.00 0.00 0.00 59.36 57.85 3ias h GLU 488 Cb 1.31 -0.08 -0.07 0.00 0.50 0.00 0.00 28.75 30.41 3ias h GLU 488 CO 0.39 0.25 -0.32 0.52 -1.00 0.00 0.00 179.01 178.85 3ias h MET 489 N 0.38 -0.37 -0.65 2.33 2.86 -1.94 0.22 114.93 117.77 3ias h MET 489 Ca 0.18 0.03 0.09 0.00 -2.06 0.00 0.00 59.70 57.94 3ias h MET 489 Cb 0.11 0.08 -0.04 0.00 0.06 0.00 0.00 31.60 31.81 3ias h MET 489 CO -0.14 -0.25 0.43 0.28 1.06 0.00 0.00 176.91 178.29 3ias h VAL 490 N -0.38 0.92 0.06 -2.22 2.07 -1.84 -0.18 116.25 114.67 3ias h VAL 490 Ca 0.10 -0.17 -0.00 0.00 0.82 0.00 0.00 66.70 67.45 3ias h VAL 490 Cb 0.55 0.37 0.00 0.00 -1.52 0.00 0.00 31.29 30.69 3ias h VAL 490 CO -0.37 0.09 -0.03 0.00 0.02 0.00 0.00 177.57 177.28 3ias h ALA 491 N 1.67 -0.08 0.00 1.67 0.00 0.04 0.23 119.26 122.79 3ias h ALA 491 Ca 0.30 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 3ias h ALA 491 Cb 0.50 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 3ias h ALA 491 CO -0.09 -0.38 -0.02 0.87 0.00 0.00 0.00 179.25 179.63 3ias h LYS 492 N -0.41 0.00 -0.02 0.00 1.57 -0.14 -0.17 116.57 117.40 3ias h LYS 492 Ca -0.01 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.59 3ias h LYS 492 Cb 0.36 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.68 3ias h LYS 492 CO 0.01 0.02 -0.71 0.00 -0.57 0.00 0.00 179.45 178.20 3ias h ALA 493 N 1.98 0.11 0.78 3.86 0.00 -0.59 -1.78 119.26 123.62 3ias h ALA 493 Ca -0.00 -0.60 -0.04 0.00 0.00 0.00 0.00 54.91 54.28 3ias h ALA 493 Cb 0.04 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3ias h ALA 493 CO 0.00 0.45 -0.41 -0.22 0.00 0.00 0.00 179.25 179.08 3ias h LYS 494 N 0.07 -1.05 -0.17 0.00 3.64 0.57 -0.58 116.57 119.05 3ias h LYS 494 Ca -0.08 0.07 0.05 0.00 -1.27 0.00 0.00 60.65 59.42 3ias h LYS 494 Cb 1.40 0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 33.45 3ias h LYS 494 CO 0.14 -0.70 0.17 1.49 -2.27 0.00 0.00 179.45 178.28 3ias h GLU 495 N -1.09 0.00 0.30 1.90 4.81 -1.16 0.35 114.58 119.69 3ias h GLU 495 Ca -0.10 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.11 3ias h GLU 495 Cb 0.85 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.23 3ias h GLU 495 CO 0.15 0.00 -0.14 0.00 -0.73 0.00 0.00 179.01 178.29 3ias h ALA 496 N 1.82 -0.40 -0.25 2.92 0.00 -1.01 -1.98 119.26 120.36 3ias h ALA 496 Ca 0.08 -0.18 0.07 0.00 0.00 0.00 0.00 54.91 54.88 3ias h ALA 496 Cb 0.42 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 3ias h ALA 496 CO -0.00 -0.45 0.20 2.35 0.00 0.00 0.00 179.25 181.36 3ias h TRP 497 N -0.95 0.00 0.45 0.00 2.91 0.06 0.99 115.95 119.41 3ias h TRP 497 Ca -0.04 0.00 -0.02 0.00 1.13 0.00 0.00 58.89 59.96 3ias h TRP 497 Cb 0.50 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.15 3ias h TRP 497 CO 0.04 0.00 -0.22 0.93 -1.03 0.00 0.00 178.44 178.16 3ias h GLU 498 N 0.00 -0.59 0.00 2.65 4.39 -0.34 -2.93 114.58 117.76 3ias h GLU 498 Ca 0.12 0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.86 3ias h GLU 498 Cb 0.52 0.13 0.00 0.00 -0.10 0.00 0.00 28.75 29.31 3ias h GLU 498 CO -0.00 -0.39 0.00 1.63 -1.16 0.00 0.00 179.01 179.09 3ias n LYS 499 N -4.29 0.32 -2.22 2.33 5.02 -0.75 -4.69 118.16 113.88 3ias n LYS 499 Ca -0.08 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.79 3ias n LYS 499 Cb 0.24 -1.42 -0.02 0.00 -0.02 0.00 0.00 35.03 33.81 3ias n LYS 499 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3ias s ALA 500 N -2.00 3.63 -0.07 7.82 0.00 0.29 -4.95 121.76 126.49 3ias s ALA 500 Ca 0.13 0.71 -0.05 0.00 0.00 0.00 0.00 51.96 52.75 3ias s ALA 500 Cb 0.06 -3.67 -0.03 0.00 0.00 0.00 0.00 23.12 19.48 3ias s ALA 500 CO 0.10 -1.23 0.22 0.87 0.00 0.00 0.00 175.76 175.72 3ias h LYS 501 N 8.71 -0.17 -2.19 0.00 6.56 -1.87 -3.43 116.57 124.18 3ias h LYS 501 Ca -0.33 0.01 -0.58 0.00 -1.06 0.00 0.00 60.65 58.69 3ias h LYS 501 Cb 1.14 0.04 -0.39 0.00 -0.57 0.00 0.00 32.23 32.46 3ias h LYS 501 CO 0.95 -0.12 -1.02 0.09 -2.06 0.00 0.00 179.45 177.30 3ias n ASN 502 N -4.61 0.11 -4.45 0.86 3.02 -1.26 -4.99 115.26 103.95 3ias n ASN 502 Ca -0.02 -2.60 -0.26 0.00 -0.03 0.00 0.00 54.58 51.66 3ias n ASN 502 Cb 0.07 -0.61 0.14 0.00 -0.61 0.00 0.00 39.78 38.77 3ias n ASN 502 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 3ias s PRO 503 N -0.72 1.23 -0.01 3.52 0.04 -1.26 -1.63 135.00 136.17 3ias s PRO 503 Ca 0.34 -0.77 0.00 0.00 0.04 0.00 0.00 61.00 60.61 3ias s PRO 503 Cb 0.11 -2.11 0.01 0.00 0.04 0.00 0.00 34.50 32.55 3ias s PRO 503 CO -0.15 -1.87 -0.01 0.08 0.04 0.00 0.00 177.00 175.10 3ias s VAL 504 N -3.48 0.12 -0.23 -0.36 1.01 -0.56 -4.25 120.40 112.66 3ias s VAL 504 Ca 0.69 -0.00 -0.12 0.00 0.00 0.00 0.00 61.98 62.55 3ias s VAL 504 Cb -0.05 -0.15 -0.05 0.00 0.00 0.00 0.00 36.38 36.13 3ias s VAL 504 CO 0.48 0.07 0.24 -0.22 0.00 0.00 0.00 175.10 175.67 3ias s LEU 505 N 0.33 4.11 -0.19 3.92 2.96 -0.72 -2.38 118.68 126.71 3ias s LEU 505 Ca -0.03 0.22 -0.03 0.00 -0.22 0.00 0.00 54.13 54.08 3ias s LEU 505 Cb -0.05 -2.24 -0.01 0.00 0.50 0.00 0.00 46.19 44.39 3ias s LEU 505 CO -0.01 0.00 -0.07 -0.63 -1.32 0.00 0.00 176.35 174.33 3ias s ILE 506 N 1.25 3.34 0.02 6.68 1.01 -0.25 -1.15 121.20 132.09 3ias s ILE 506 Ca 0.11 -0.53 -0.05 0.00 0.00 0.00 0.00 60.65 60.18 3ias s ILE 506 Cb -0.14 -2.48 -0.01 0.00 0.01 0.00 0.00 42.46 39.84 3ias s ILE 506 CO 0.06 0.46 0.09 -1.48 0.00 0.00 0.00 174.94 174.08 3ias s LEU 507 N 1.02 1.76 0.00 2.97 0.05 -1.10 -1.16 118.68 122.23 3ias s LEU 507 Ca 0.00 -0.38 0.00 0.00 0.05 0.00 0.00 54.13 53.80 3ias s LEU 507 Cb -0.15 0.55 0.00 0.00 -2.05 0.00 0.00 46.19 44.55 3ias s LEU 507 CO -0.00 -0.41 0.00 0.61 -0.55 0.00 0.00 176.35 176.00 3ias n GLY 508 N 1.22 1.89 0.00 -3.48 0.00 -1.06 -1.69 105.19 102.06 3ias n GLY 508 Ca -0.22 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.64 3ias n GLY 508 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ias n ALA 509 N -3.00 -0.01 -0.33 4.61 0.00 -1.26 -2.03 120.51 118.48 3ias n ALA 509 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.40 3ias n ALA 509 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3ias n ALA 509 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3ias h GLY 510 N 0.00 -0.18 0.65 0.00 0.00 -1.89 0.11 103.07 101.75 3ias h GLY 510 Ca 0.00 0.56 0.06 0.00 0.00 0.00 0.00 47.33 47.95 3ias h GLY 510 CO 0.00 -0.16 0.30 -2.08 0.00 0.00 0.00 176.54 174.60 3ias h VAL 511 N -0.06 0.93 -0.00 4.60 2.07 -1.84 -1.67 116.25 120.27 3ias h VAL 511 Ca 0.27 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.60 3ias h VAL 511 Cb 0.56 0.32 0.00 0.00 -1.52 0.00 0.00 31.29 30.64 3ias h VAL 511 CO -0.89 0.10 -0.13 -0.11 0.02 0.00 0.00 177.57 176.56 3ias n LEU 512 N -4.86 0.29 -0.20 2.57 7.94 -0.10 -2.43 117.00 120.20 3ias n LEU 512 Ca 0.07 0.17 0.06 0.00 -1.11 0.00 0.00 56.01 55.21 3ias n LEU 512 Cb 0.18 -0.29 -0.03 0.00 0.53 0.00 0.00 43.42 43.81 3ias n LEU 512 CO 0.28 0.06 0.15 1.67 -1.11 0.00 0.00 177.39 178.43 3ias n GLN 513 N -1.23 2.16 -4.04 1.96 -0.06 0.19 -1.99 117.38 114.36 3ias n GLN 513 Ca 0.11 -0.47 -0.31 0.00 -2.00 0.00 0.00 57.00 54.33 3ias n GLN 513 Cb 0.30 -1.17 -0.16 0.00 -4.06 0.00 0.00 30.24 25.15 3ias n GLN 513 CO 0.00 0.00 0.00 0.34 -0.20 0.00 0.00 177.06 177.20 3ias s ASP 514 N -1.87 3.39 0.25 1.69 -1.08 -0.89 -4.57 116.67 113.60 3ias s ASP 514 Ca 0.09 -0.86 -0.04 0.00 -0.52 0.00 0.00 52.55 51.23 3ias s ASP 514 Cb 0.11 -1.33 0.51 0.00 -1.46 0.00 0.00 42.92 40.75 3ias s ASP 514 CO 0.41 -0.11 1.67 0.74 0.52 0.00 0.00 175.17 178.40 3ias h THR 515 N 6.30 0.43 0.00 1.71 2.02 -1.89 -1.38 112.91 120.11 3ias h THR 515 Ca -0.32 -0.08 0.00 0.00 0.77 0.00 0.00 66.41 66.79 3ias h THR 515 Cb 1.10 0.19 0.00 0.00 -1.74 0.00 0.00 68.15 67.70 3ias h THR 515 CO 0.52 0.04 0.00 0.52 0.37 0.00 0.00 175.52 176.97 3ias n VAL 516 N -5.21 0.00 0.06 3.16 0.31 -1.26 -0.97 118.33 114.42 3ias n VAL 516 Ca 0.16 1.17 -0.13 0.00 -0.01 0.00 0.00 64.34 65.53 3ias n VAL 516 Cb 0.51 -1.82 -0.06 0.00 -0.91 0.00 0.00 33.84 31.56 3ias n VAL 516 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3ias h ALA 517 N -1.77 -0.59 -0.94 3.52 0.00 -1.79 -1.86 119.26 115.83 3ias h ALA 517 Ca 0.00 -0.03 0.23 0.00 0.00 0.00 0.00 54.91 55.11 3ias h ALA 517 Cb 0.00 0.68 -0.17 0.00 0.00 0.00 0.00 17.79 18.29 3ias h ALA 517 CO 0.00 -0.91 -0.06 0.00 0.00 0.00 0.00 179.25 178.28 3ias h ALA 518 N 0.08 0.94 0.26 0.00 0.00 -0.90 0.46 119.26 120.09 3ias h ALA 518 Ca 0.05 0.34 -0.01 0.00 0.00 0.00 0.00 54.91 55.29 3ias h ALA 518 Cb 0.62 0.61 -0.00 0.00 0.00 0.00 0.00 17.79 19.02 3ias h ALA 518 CO -0.30 -0.49 -0.15 1.49 0.00 0.00 0.00 179.25 179.81 3ias h GLU 519 N 0.02 -0.37 -0.87 0.00 4.57 -0.24 -2.13 114.58 115.56 3ias h GLU 519 Ca 0.53 0.03 0.05 0.00 -1.18 0.00 0.00 59.36 58.78 3ias h GLU 519 Cb 0.98 0.08 -0.05 0.00 -0.16 0.00 0.00 28.75 29.61 3ias h GLU 519 CO -0.90 -0.25 0.57 0.00 -1.18 0.00 0.00 179.01 177.25 3ias h ARG 520 N -0.39 1.01 -0.05 1.92 3.08 0.04 -1.36 114.38 118.63 3ias h ARG 520 Ca -0.03 -0.06 0.02 0.00 0.07 0.00 0.00 59.98 59.98 3ias h ARG 520 Cb 0.31 -0.23 -0.02 0.00 0.08 0.00 0.00 29.97 30.11 3ias h ARG 520 CO 0.04 0.67 -0.07 0.00 -1.07 0.00 0.00 179.97 179.54 3ias h ALA 521 N 1.51 -0.03 -0.85 0.04 0.00 -0.05 -0.45 119.26 119.43 3ias h ALA 521 Ca 0.36 0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.35 3ias h ALA 521 Cb 0.09 0.14 -0.06 0.00 0.00 0.00 0.00 17.79 17.96 3ias h ALA 521 CO -0.12 -0.55 0.52 -0.09 0.00 0.00 0.00 179.25 179.02 3ias h ARG 522 N -0.10 0.93 0.14 0.00 2.43 -0.63 -1.63 114.38 115.51 3ias h ARG 522 Ca 0.05 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.15 3ias h ARG 522 Cb 0.16 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 29.50 3ias h ARG 522 CO -0.11 0.61 -0.06 1.25 -1.51 0.00 0.00 179.97 180.15 3ias h LEU 523 N 0.96 -0.15 -1.85 3.80 6.46 -0.77 0.38 115.31 124.13 3ias h LEU 523 Ca 0.37 -0.06 0.17 0.00 -0.12 0.00 0.00 57.88 58.24 3ias h LEU 523 Cb 0.16 0.04 -0.03 0.00 -0.73 0.00 0.00 40.66 40.10 3ias h LEU 523 CO -0.17 -0.04 0.47 0.25 -0.62 0.00 0.00 178.44 178.34 3ias h LEU 524 N -0.26 0.13 -0.12 2.25 5.85 -0.66 -0.09 115.31 122.42 3ias h LEU 524 Ca -0.02 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.71 3ias h LEU 524 Cb 0.21 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.22 3ias h LEU 524 CO 0.03 0.07 -0.58 0.00 -0.34 0.00 0.00 178.44 177.62 3ias n ALA 525 N -2.61 3.76 -0.09 1.25 0.00 -0.65 -3.06 120.51 119.11 3ias n ALA 525 Ca 0.13 -0.43 -0.21 0.00 0.00 0.00 0.00 53.44 52.93 3ias n ALA 525 Cb 0.65 -1.03 -0.12 0.00 0.00 0.00 0.00 19.45 18.96 3ias n ALA 525 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3ias h GLU 526 N 0.28 0.04 -0.01 0.00 5.08 0.80 -3.18 114.58 117.58 3ias h GLU 526 Ca 0.00 -0.06 0.03 0.00 -1.00 0.00 0.00 59.36 58.33 3ias h GLU 526 Cb 0.51 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.74 3ias h GLU 526 CO 0.00 1.03 -0.23 0.00 -1.00 0.00 0.00 179.01 178.81 3ias h ARG 527 N -0.87 -0.35 -5.95 2.33 3.08 -1.29 -3.35 114.38 107.99 3ias h ARG 527 Ca -0.32 0.02 -0.56 0.00 0.07 0.00 0.00 59.98 59.19 3ias h ARG 527 Cb 1.37 0.08 -0.06 0.00 0.08 0.00 0.00 29.97 31.44 3ias h ARG 527 CO -0.15 -0.23 0.02 0.21 -1.07 0.00 0.00 179.97 178.75 3ias s LYS 528 N -6.08 4.41 -0.70 0.04 2.20 -1.17 -4.95 119.74 113.48 3ias s LYS 528 Ca -0.15 0.76 -0.13 0.00 -0.36 0.00 0.00 55.97 56.08 3ias s LYS 528 Cb 0.09 -3.44 -0.11 0.00 -1.51 0.00 0.00 37.83 32.86 3ias s LYS 528 CO 0.66 0.10 1.89 0.41 -0.36 0.00 0.00 175.35 178.05 3ias n GLY 529 N 3.13 2.57 3.39 5.54 0.00 -1.26 -4.52 105.19 114.05 3ias n GLY 529 Ca -0.03 -0.94 -0.26 0.00 0.00 0.00 0.00 46.02 44.79 3ias n GLY 529 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ias s ALA 530 N 4.46 2.37 0.33 4.61 0.00 -1.20 -4.94 121.76 127.38 3ias s ALA 530 Ca 0.45 -1.57 0.07 0.00 0.00 0.00 0.00 51.96 50.90 3ias s ALA 530 Cb 0.11 -0.30 -0.01 0.00 0.00 0.00 0.00 23.12 22.92 3ias s ALA 530 CO 0.06 0.40 0.43 0.15 0.00 0.00 0.00 175.76 176.80 3ias s LYS 531 N -2.60 3.08 0.05 0.00 1.02 -1.26 -4.75 119.74 115.29 3ias s LYS 531 Ca 0.18 -1.04 0.04 0.00 0.02 0.00 0.00 55.97 55.18 3ias s LYS 531 Cb -0.08 -2.77 -0.02 0.00 -0.52 0.00 0.00 37.83 34.43 3ias s LYS 531 CO 0.09 0.10 -0.12 0.08 -0.92 0.00 0.00 175.35 174.57 3ias s VAL 532 N -2.18 0.92 -0.43 3.17 1.01 -0.64 -1.76 120.40 120.48 3ias s VAL 532 Ca 0.43 -1.09 -0.08 0.00 0.00 0.00 0.00 61.98 61.24 3ias s VAL 532 Cb -0.09 -0.89 0.10 0.00 0.00 0.00 0.00 36.38 35.50 3ias s VAL 532 CO 0.30 -0.18 0.27 -0.76 0.00 0.00 0.00 175.10 174.73 3ias s LEU 533 N -1.43 5.31 -0.70 3.92 1.43 -0.30 -2.51 118.68 124.40 3ias s LEU 533 Ca -0.03 -1.72 -0.27 0.00 -1.03 0.00 0.00 54.13 51.09 3ias s LEU 533 Cb -0.09 -1.96 0.01 0.00 0.03 0.00 0.00 46.19 44.18 3ias s LEU 533 CO 0.01 -0.58 1.52 0.00 0.23 0.00 0.00 176.35 177.53 3ias s ALA 534 N 1.35 2.51 -0.43 4.21 0.00 -1.26 -2.71 121.76 125.43 3ias s ALA 534 Ca 0.04 -1.12 -0.06 0.00 0.00 0.00 0.00 51.96 50.82 3ias s ALA 534 Cb -0.24 -4.29 -0.18 0.00 0.00 0.00 0.00 23.12 18.41 3ias s ALA 534 CO 0.00 -3.56 3.00 -1.33 0.00 0.00 0.00 175.76 173.87 3ias n MET 535 N 9.29 2.15 -1.44 0.00 2.81 -0.68 -4.83 117.12 124.41 3ias n MET 535 Ca 0.11 -1.19 -0.40 0.00 -1.81 0.00 0.00 57.70 54.41 3ias n MET 535 Cb 0.50 -2.16 0.02 0.00 -0.71 0.00 0.00 33.22 30.87 3ias n MET 535 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 3ias n THR 536 N 2.96 1.74 1.55 2.03 -2.24 -1.26 -4.51 114.28 114.56 3ias n THR 536 Ca 0.46 -0.50 0.14 0.00 -2.27 0.00 0.00 64.05 61.88 3ias n THR 536 Cb 0.60 -0.54 0.59 0.00 -2.10 0.00 0.00 70.33 68.88 3ias n THR 536 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 3ias n PRO 537 N 0.47 1.39 -4.09 -0.78 -0.05 -1.26 -4.57 135.00 126.11 3ias n PRO 537 Ca 0.11 -0.70 -0.35 0.00 -0.05 0.00 0.00 63.50 62.52 3ias n PRO 537 Cb 0.43 -1.49 -0.11 0.00 -0.05 0.00 0.00 33.50 32.28 3ias n PRO 537 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 3ias s ALA 538 N -2.09 3.19 0.08 0.55 0.00 -1.26 -4.37 121.76 117.86 3ias s ALA 538 Ca 0.38 -0.87 -0.28 0.00 0.00 0.00 0.00 51.96 51.19 3ias s ALA 538 Cb 0.21 -1.82 -0.16 0.00 0.00 0.00 0.00 23.12 21.35 3ias s ALA 538 CO 0.37 0.03 1.68 0.00 0.00 0.00 0.00 175.76 177.84 3ias h ALA 539 N 7.08 -0.44 -0.94 0.00 0.00 -1.83 -2.73 119.26 120.41 3ias h ALA 539 Ca -0.35 -0.09 -0.64 0.00 0.00 0.00 0.00 54.91 53.83 3ias h ALA 539 Cb 1.18 0.20 -0.31 0.00 0.00 0.00 0.00 17.79 18.85 3ias h ALA 539 CO 0.64 -0.75 0.55 -1.71 0.00 0.00 0.00 179.25 177.98 3ias n ASN 540 N -5.29 6.89 0.32 0.00 5.15 -0.43 -4.08 115.26 117.82 3ias n ASN 540 Ca -0.10 -3.77 -0.18 0.00 -0.60 0.00 0.00 54.58 49.93 3ias n ASN 540 Cb 0.21 -0.85 -0.09 0.00 -0.53 0.00 0.00 39.78 38.51 3ias n ASN 540 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3ias h ALA 541 N 1.95 -1.02 0.00 5.20 0.00 -1.68 -0.21 119.26 123.49 3ias h ALA 541 Ca 0.56 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 55.28 3ias h ALA 541 Cb 1.07 0.57 -0.00 0.00 0.00 0.00 0.00 17.79 19.44 3ias h ALA 541 CO 1.40 -1.10 -0.00 -0.09 0.00 0.00 0.00 179.25 179.46 3ias h ARG 542 N -0.97 0.00 0.14 0.00 9.65 -1.85 -0.90 114.38 120.45 3ias h ARG 542 Ca -0.07 0.00 -0.32 0.00 -1.10 0.00 0.00 59.98 58.49 3ias h ARG 542 Cb 0.81 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 29.39 3ias h ARG 542 CO 0.01 0.00 -1.67 0.78 2.80 0.00 0.00 179.97 181.89 3ias h GLY 543 N 0.02 0.33 2.00 2.80 0.00 -1.59 -3.16 103.07 103.47 3ias h GLY 543 Ca -0.00 -0.84 -0.09 0.00 0.00 0.00 0.00 47.33 46.40 3ias h GLY 543 CO 0.00 0.74 -0.42 1.41 0.00 0.00 0.00 176.54 178.26 3ias h LEU 544 N -0.11 0.00 -0.81 3.11 3.38 -0.54 -2.79 115.31 117.56 3ias h LEU 544 Ca -0.35 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.50 3ias h LEU 544 Cb 1.92 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.66 3ias h LEU 544 CO 0.09 0.42 -0.43 -0.33 0.09 0.00 0.00 178.44 178.28 3ias h GLU 545 N 0.00 0.35 0.00 1.13 5.08 -1.31 -2.14 114.58 117.69 3ias h GLU 545 Ca -0.00 -0.18 0.00 0.00 -1.00 0.00 0.00 59.36 58.18 3ias h GLU 545 Cb 0.89 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.14 3ias h GLU 545 CO 0.06 0.72 0.00 0.00 -1.00 0.00 0.00 179.01 178.79 3ias h ALA 546 N 1.25 1.00 0.00 3.43 0.00 -1.45 -2.96 119.26 120.53 3ias h ALA 546 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3ias h ALA 546 Cb 0.89 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.68 3ias h ALA 546 CO 0.07 0.00 -1.09 -1.33 0.00 0.00 0.00 179.25 176.90 3ias n MET 547 N -2.42 0.54 -1.51 0.00 2.81 -1.00 -4.99 117.12 110.55 3ias n MET 547 Ca 0.03 -0.03 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 3ias n MET 547 Cb 0.30 -1.43 0.00 0.00 -0.71 0.00 0.00 33.22 31.37 3ias n MET 547 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3ias n GLY 548 N 1.44 0.94 1.81 3.03 0.00 -0.94 -4.80 105.19 106.68 3ias n GLY 548 Ca 0.02 -0.53 -0.14 0.00 0.00 0.00 0.00 46.02 45.37 3ias n GLY 548 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3ias n VAL 549 N -2.36 2.61 -4.30 1.61 0.31 -0.85 -4.87 118.33 110.47 3ias n VAL 549 Ca 0.00 -1.44 -0.35 0.00 -0.01 0.00 0.00 64.34 62.54 3ias n VAL 549 Cb 0.34 -1.30 -0.10 0.00 -0.91 0.00 0.00 33.84 31.87 3ias n VAL 549 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 3ias s LEU 550 N -1.57 3.62 0.83 7.52 1.02 -1.25 -3.48 118.68 125.37 3ias s LEU 550 Ca 0.27 0.13 -0.14 0.00 0.02 0.00 0.00 54.13 54.41 3ias s LEU 550 Cb 0.21 -1.85 0.05 0.00 0.02 0.00 0.00 46.19 44.63 3ias s LEU 550 CO 0.00 0.33 0.89 -0.81 0.02 0.00 0.00 176.35 176.78 3ias n PRO 551 N 2.44 0.06 0.00 1.29 -0.04 -0.51 -4.69 135.00 133.55 3ias n PRO 551 Ca -0.18 0.09 0.00 0.00 -0.04 0.00 0.00 63.50 63.36 3ias n PRO 551 Cb 0.53 -2.18 0.00 0.00 -0.04 0.00 0.00 33.50 31.81 3ias n PRO 551 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3ias n GLY 552 N 0.96 1.75 0.05 0.55 0.00 0.58 -4.96 105.19 104.13 3ias n GLY 552 Ca 0.11 -1.85 -0.13 0.00 0.00 0.00 0.00 46.02 44.16 3ias n GLY 552 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ias h ALA 553 N -1.14 -0.02 -2.37 4.61 0.00 -1.96 -3.37 119.26 115.02 3ias h ALA 553 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3ias h ALA 553 Cb 0.00 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3ias h ALA 553 CO 0.00 -0.37 0.00 1.17 0.00 0.00 0.00 179.25 180.05 3ias n LYS 554 N -4.97 0.00 0.00 0.00 3.00 -1.26 -4.97 118.16 109.96 3ias n LYS 554 Ca -0.08 0.61 0.00 0.00 -0.00 0.00 0.00 58.31 58.84 3ias n LYS 554 Cb 0.16 -1.11 0.00 0.00 0.00 0.00 0.00 35.03 34.08 3ias n LYS 554 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3ias n GLY 555 N -1.00 -0.99 1.06 3.14 0.00 -1.26 -5.10 105.19 101.04 3ias n GLY 555 Ca 0.00 0.42 -0.12 0.00 0.00 0.00 0.00 46.02 46.31 3ias n GLY 555 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ias n ALA 556 N 0.00 0.09 -2.85 4.61 0.00 -1.26 -4.82 120.51 116.27 3ias n ALA 556 Ca 0.00 -0.09 -0.07 0.00 0.00 0.00 0.00 53.44 53.28 3ias n ALA 556 Cb 0.00 -0.69 0.02 0.00 0.00 0.00 0.00 19.45 18.79 3ias n ALA 556 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3ias n SER 557 N 3.15 0.59 0.31 0.00 3.41 -1.25 -4.54 113.62 115.29 3ias n SER 557 Ca 0.20 -1.44 0.20 0.00 -0.26 0.00 0.00 58.87 57.57 3ias n SER 557 Cb 0.01 -0.15 0.98 0.00 -0.26 0.00 0.00 64.21 64.79 3ias n SER 557 CO 0.00 0.00 0.00 4.11 -0.16 0.00 0.00 175.04 178.99 3ias h TRP 558 N -0.09 0.00 -0.01 7.33 5.08 -1.91 -1.65 115.95 124.70 3ias h TRP 558 Ca -0.09 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.88 3ias h TRP 558 Cb 0.38 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.54 3ias h TRP 558 CO 0.00 0.01 -0.04 -0.40 -1.28 0.00 0.00 178.44 176.73 3ias n ASP 559 N -3.16 1.50 -4.55 0.11 5.75 -1.26 -4.64 116.55 110.30 3ias n ASP 559 Ca -0.02 -1.25 -0.41 0.00 -0.01 0.00 0.00 54.79 53.10 3ias n ASP 559 Cb 0.17 0.12 -0.08 0.00 -1.03 0.00 0.00 41.12 40.30 3ias n ASP 559 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 3ias s GLU 560 N -0.78 3.56 -1.17 0.11 2.02 -0.62 -4.58 118.70 117.23 3ias s GLU 560 Ca 0.08 -0.30 -0.21 0.00 0.02 0.00 0.00 54.97 54.56 3ias s GLU 560 Cb 0.06 -3.82 -0.02 0.00 0.10 0.00 0.00 34.13 30.45 3ias s GLU 560 CO 0.12 -0.62 1.83 -1.25 0.02 0.00 0.00 175.26 175.37 3ias s PRO 561 N 2.24 3.06 -0.02 0.39 0.04 -1.26 -3.79 135.00 135.66 3ias s PRO 561 Ca 0.16 -1.32 -0.02 0.00 0.04 0.00 0.00 61.00 59.85 3ias s PRO 561 Cb -0.16 -5.33 -0.01 0.00 0.04 0.00 0.00 34.50 29.05 3ias s PRO 561 CO 0.13 -3.23 -0.04 0.41 0.04 0.00 0.00 177.00 174.31 3ias n GLY 562 N 5.89 -0.31 3.26 0.56 0.00 -1.26 -5.02 105.19 108.32 3ias n GLY 562 Ca 0.45 -0.04 -0.33 0.00 0.00 0.00 0.00 46.02 46.10 3ias n GLY 562 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ias n ALA 563 N -2.80 -4.25 -0.05 4.61 0.00 -1.26 -5.00 120.51 111.77 3ias n ALA 563 Ca -0.02 -1.30 -0.07 0.00 0.00 0.00 0.00 53.44 52.05 3ias n ALA 563 Cb 0.06 -1.49 -0.05 0.00 0.00 0.00 0.00 19.45 17.98 3ias n ALA 563 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3ias n LEU 564 N -1.48 2.64 -4.08 0.00 7.94 -1.10 -4.78 117.00 116.14 3ias n LEU 564 Ca 0.00 -0.05 -0.32 0.00 -1.11 0.00 0.00 56.01 54.53 3ias n LEU 564 Cb 0.63 -0.29 -0.15 0.00 0.53 0.00 0.00 43.42 44.14 3ias n LEU 564 CO 0.52 0.62 -0.48 -0.31 -1.11 0.00 0.00 177.39 176.62 3ias s TYR 565 N -2.20 3.03 0.05 1.96 2.02 -0.87 -1.09 117.35 120.26 3ias s TYR 565 Ca -0.13 -2.04 0.02 0.00 -0.37 0.00 0.00 57.07 54.56 3ias s TYR 565 Cb 0.03 -1.90 -0.03 0.00 -0.40 0.00 0.00 41.96 39.66 3ias s TYR 565 CO 0.25 -0.85 -0.08 0.00 -1.57 0.00 0.00 175.55 173.30 3ias s ALA 566 N 1.19 0.63 -0.15 3.71 0.00 -0.86 0.14 121.76 126.41 3ias s ALA 566 Ca -0.04 -0.85 -0.07 0.00 0.00 0.00 0.00 51.96 51.01 3ias s ALA 566 Cb -0.17 0.06 -0.04 0.00 0.00 0.00 0.00 23.12 22.96 3ias s ALA 566 CO -0.08 -0.05 0.09 -0.47 0.00 0.00 0.00 175.76 175.25 3ias s TYR 567 N -1.68 3.37 -0.04 0.00 5.04 0.21 -2.00 117.35 122.26 3ias s TYR 567 Ca -0.07 0.28 0.07 0.00 -2.44 0.00 0.00 57.07 54.91 3ias s TYR 567 Cb -0.08 -2.01 -0.02 0.00 0.35 0.00 0.00 41.96 40.20 3ias s TYR 567 CO -0.00 0.40 -0.25 0.71 -1.34 0.00 0.00 175.55 175.06 3ias s TYR 568 N -0.22 2.39 -0.52 4.97 2.02 0.82 -1.05 117.35 125.75 3ias s TYR 568 Ca 0.09 -0.57 0.16 0.00 -0.37 0.00 0.00 57.07 56.38 3ias s TYR 568 Cb -0.12 -1.55 0.63 0.00 -0.40 0.00 0.00 41.96 40.53 3ias s TYR 568 CO 0.01 -0.12 1.55 0.41 -1.57 0.00 0.00 175.55 175.83 3ias n GLY 569 N 2.67 3.29 3.61 0.71 0.00 0.39 0.21 105.19 116.07 3ias n GLY 569 Ca -0.17 -0.89 0.02 0.00 0.00 0.00 0.00 46.02 44.98 3ias n GLY 569 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3ias s PHE 570 N -2.36 -0.04 -0.39 1.61 -0.71 -1.26 -4.25 117.98 110.59 3ias s PHE 570 Ca 0.46 -0.04 -0.25 0.00 -1.04 0.00 0.00 56.93 56.05 3ias s PHE 570 Cb 0.33 0.54 0.02 0.00 -1.21 0.00 0.00 43.02 42.70 3ias s PHE 570 CO 0.16 -0.22 0.90 0.08 -1.34 0.00 0.00 175.22 174.80 3ias s VAL 571 N -2.34 4.58 0.91 -2.49 1.01 -1.26 -4.92 120.40 115.88 3ias s VAL 571 Ca 0.14 1.03 -0.15 0.00 0.00 0.00 0.00 61.98 63.01 3ias s VAL 571 Cb 0.05 -4.34 0.21 0.00 0.00 0.00 0.00 36.38 32.30 3ias s VAL 571 CO -0.04 -0.60 1.23 -2.65 0.00 0.00 0.00 175.10 173.04 3ias n PRO 572 N 6.82 -1.15 -1.95 2.72 -0.02 -1.26 -5.02 135.00 135.14 3ias n PRO 572 Ca 0.06 -1.97 -0.41 0.00 -2.02 0.00 0.00 63.50 59.16 3ias n PRO 572 Cb 0.48 -1.25 -0.01 0.00 -0.02 0.00 0.00 33.50 32.71 3ias n PRO 572 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3ias s PRO 573 N -5.69 4.15 0.51 0.52 0.04 -1.26 -4.89 135.00 128.38 3ias s PRO 573 Ca 0.70 2.37 0.25 0.00 0.04 0.00 0.00 61.00 64.37 3ias s PRO 573 Cb -0.02 -2.96 1.35 0.00 0.04 0.00 0.00 34.50 32.91 3ias s PRO 573 CO 0.49 -0.42 1.95 1.49 0.04 0.00 0.00 177.00 180.55 3ias h GLU 574 N 3.05 0.09 0.00 4.56 4.81 -1.87 -0.64 114.58 124.58 3ias h GLU 574 Ca -0.50 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 58.70 3ias h GLU 574 Cb 1.24 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 30.59 3ias h GLU 574 CO 0.64 0.06 -0.14 1.49 -0.73 0.00 0.00 179.01 180.33 3ias h GLU 575 N 0.09 0.00 0.00 1.92 4.57 -1.90 -2.64 114.58 116.61 3ias h GLU 575 Ca 0.33 0.00 -0.13 0.00 -1.18 0.00 0.00 59.36 58.38 3ias h GLU 575 Cb 1.19 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.77 3ias h GLU 575 CO -0.03 0.14 -0.63 0.00 -1.18 0.00 0.00 179.01 177.31 3ias h ALA 576 N 1.86 0.65 0.05 2.92 0.00 -1.35 -3.36 119.26 120.02 3ias h ALA 576 Ca -0.00 -0.57 -0.00 0.00 0.00 0.00 0.00 54.91 54.34 3ias h ALA 576 Cb 0.24 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3ias h ALA 576 CO 0.02 0.78 -0.02 -0.07 0.00 0.00 0.00 179.25 179.96 3ias h LEU 577 N 0.00 -0.06 -6.22 0.00 -0.00 -1.54 -3.43 115.31 104.07 3ias h LEU 577 Ca -0.01 0.00 -0.61 0.00 -0.00 0.00 0.00 57.88 57.27 3ias h LEU 577 Cb 1.40 0.02 0.01 0.00 -0.00 0.00 0.00 40.66 42.08 3ias h LEU 577 CO 0.08 0.09 0.50 1.17 -0.00 0.00 0.00 178.44 180.28 3ias n LYS 578 N -2.91 0.00 0.00 1.13 4.81 -1.12 -2.05 118.16 118.03 3ias n LYS 578 Ca -0.01 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.43 3ias n LYS 578 Cb 0.03 -1.04 0.00 0.00 0.02 0.00 0.00 35.03 34.04 3ias n LYS 578 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3ias n GLY 579 N 2.90 2.33 1.87 3.14 0.00 -1.26 -4.99 105.19 109.17 3ias n GLY 579 Ca 0.22 -0.75 -0.24 0.00 0.00 0.00 0.00 46.02 45.25 3ias n GLY 579 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3ias n LYS 580 N 0.00 0.00 -0.00 1.61 5.02 -0.87 -4.92 118.16 119.00 3ias n LYS 580 Ca 0.00 0.00 -0.17 0.00 -2.02 0.00 0.00 58.31 56.12 3ias n LYS 580 Cb 0.00 -0.56 -0.12 0.00 -0.02 0.00 0.00 35.03 34.33 3ias n LYS 580 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3ias h ARG 581 N 0.24 0.29 -3.59 1.97 3.08 -1.44 -3.46 114.38 111.46 3ias h ARG 581 Ca -0.20 -0.34 -0.32 0.00 0.07 0.00 0.00 59.98 59.19 3ias h ARG 581 Cb 0.82 0.10 -0.34 0.00 0.08 0.00 0.00 29.97 30.63 3ias h ARG 581 CO 0.27 1.05 -0.74 0.12 -1.07 0.00 0.00 179.97 179.61 3ias s PHE 582 N -3.01 0.16 -0.14 3.04 5.36 -1.10 -5.05 117.98 117.24 3ias s PHE 582 Ca -0.14 0.08 -0.00 0.00 -0.96 0.00 0.00 56.93 55.90 3ias s PHE 582 Cb 0.02 -0.33 0.03 0.00 -0.34 0.00 0.00 43.02 42.40 3ias s PHE 582 CO 0.79 -0.11 -0.09 0.14 -1.46 0.00 0.00 175.22 174.48 3ias s VAL 583 N 1.11 1.27 -0.37 3.12 -7.23 -1.26 -2.03 120.40 115.01 3ias s VAL 583 Ca -0.09 -0.54 -0.10 0.00 -1.81 0.00 0.00 61.98 59.44 3ias s VAL 583 Cb -0.13 -1.30 0.03 0.00 0.56 0.00 0.00 36.38 35.54 3ias s VAL 583 CO -0.02 0.32 0.19 0.68 -0.31 0.00 0.00 175.10 175.96 3ias s VAL 584 N 1.59 4.46 -0.39 1.32 -7.23 -0.85 -1.90 120.40 117.41 3ias s VAL 584 Ca 0.03 -0.90 -0.15 0.00 -1.81 0.00 0.00 61.98 59.15 3ias s VAL 584 Cb -0.14 -3.50 0.01 0.00 0.56 0.00 0.00 36.38 33.31 3ias s VAL 584 CO -0.09 -0.23 0.32 -0.04 -0.31 0.00 0.00 175.10 174.75 3ias s MET 585 N 1.53 3.19 -1.20 4.82 -1.94 -0.47 -0.13 119.30 125.11 3ias s MET 585 Ca 0.01 -0.82 -0.06 0.00 -1.71 0.00 0.00 55.69 53.12 3ias s MET 585 Cb -0.19 -3.92 0.21 0.00 2.01 0.00 0.00 34.83 32.95 3ias s MET 585 CO 0.06 -0.67 1.90 1.58 -0.01 0.00 0.00 175.02 177.88 3ias n HIS 586 N 5.25 2.63 -1.59 -0.03 -0.00 0.13 -1.60 115.22 120.02 3ias n HIS 586 Ca -0.11 -2.70 -0.10 0.00 0.46 0.00 0.00 57.72 55.27 3ias n HIS 586 Cb 0.48 -1.63 0.07 0.00 -0.12 0.00 0.00 29.99 28.79 3ias n HIS 586 CO 0.00 0.00 0.00 1.28 0.46 0.00 0.00 176.34 178.08 3ias n LEU 587 N 2.07 0.00 0.00 0.27 4.77 -1.17 -4.40 117.00 118.54 3ias n LEU 587 Ca 0.43 -0.58 0.00 0.00 -0.03 0.00 0.00 56.01 55.83 3ias n LEU 587 Cb 0.31 -0.33 0.00 0.00 -2.33 0.00 0.00 43.42 41.07 3ias n LEU 587 CO 0.72 -0.80 -0.42 -1.54 -1.33 0.00 0.00 177.39 174.02 3ias n SER 588 N -3.22 4.20 -4.30 -1.43 3.41 -1.26 -0.60 113.62 110.42 3ias n SER 588 Ca 0.06 0.00 -0.21 0.00 -0.26 0.00 0.00 58.87 58.45 3ias n SER 588 Cb 0.21 0.62 -0.12 0.00 -0.26 0.00 0.00 64.21 64.67 3ias n SER 588 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 3ias s HIS 589 N -1.76 1.71 -0.56 7.33 3.76 -1.26 -1.60 115.29 122.90 3ias s HIS 589 Ca 0.00 -0.47 -0.28 0.00 -0.15 0.00 0.00 55.06 54.16 3ias s HIS 589 Cb 0.00 -0.88 0.03 0.00 1.11 0.00 0.00 32.58 32.83 3ias s HIS 589 CO 0.00 0.25 1.22 -1.17 -0.85 0.00 0.00 174.74 174.20 3ias s LEU 590 N -2.40 3.47 0.16 0.89 2.96 -1.26 -4.86 118.68 117.64 3ias s LEU 590 Ca 0.11 0.19 -0.20 0.00 -0.22 0.00 0.00 54.13 54.02 3ias s LEU 590 Cb -0.07 -3.21 -0.08 0.00 0.50 0.00 0.00 46.19 43.34 3ias s LEU 590 CO 0.05 -1.49 0.68 -2.28 -1.32 0.00 0.00 176.35 171.99 3ias s HIS 591 N 5.07 3.74 0.37 5.38 5.65 -1.26 -4.98 115.29 129.26 3ias s HIS 591 Ca 0.45 1.38 0.07 0.00 0.25 0.00 0.00 55.06 57.21 3ias s HIS 591 Cb -0.08 -2.59 0.77 0.00 -1.18 0.00 0.00 32.58 29.50 3ias s HIS 591 CO 0.26 0.45 1.95 -1.35 -0.65 0.00 0.00 174.74 175.41 3ias h PRO 592 N 3.92 0.70 0.00 2.88 0.11 -1.99 -0.19 132.00 137.43 3ias h PRO 592 Ca -0.48 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.58 3ias h PRO 592 Cb 1.20 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 32.15 3ias h PRO 592 CO 0.65 0.46 -0.01 -0.07 -0.21 0.00 0.00 178.00 178.82 3ias h LEU 593 N 0.72 0.00 0.00 2.35 -0.00 -1.98 -2.93 115.31 113.46 3ias h LEU 593 Ca 0.32 0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 58.18 3ias h LEU 593 Cb 0.33 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 40.98 3ias h LEU 593 CO -0.11 0.01 -0.11 0.00 -0.00 0.00 0.00 178.44 178.23 3ias h ALA 594 N 1.99 0.02 0.00 1.53 0.00 -1.42 -3.10 119.26 118.27 3ias h ALA 594 Ca -0.00 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.51 3ias h ALA 594 Cb 0.07 0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.94 3ias h ALA 594 CO 0.00 0.07 0.00 -0.85 0.00 0.00 0.00 179.25 178.47 3ias n GLU 595 N -4.65 0.34 0.00 0.00 0.28 -1.10 -0.15 120.64 115.36 3ias n GLU 595 Ca -0.08 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.92 3ias n GLU 595 Cb 0.34 -1.01 0.00 0.00 1.43 0.00 0.00 31.44 32.20 3ias n GLU 595 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 3ias n ARG 596 N -0.45 2.43 0.00 3.44 1.74 -1.18 -4.84 116.66 117.80 3ias n ARG 596 Ca 0.00 -0.01 0.00 0.00 -0.77 0.00 0.00 57.85 57.07 3ias n ARG 596 Cb 0.01 -0.22 0.00 0.00 -1.02 0.00 0.00 32.46 31.22 3ias n ARG 596 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 3ias n TYR 597 N -0.35 0.00 -3.57 -1.55 4.02 -0.73 -5.09 117.16 109.88 3ias n TYR 597 Ca 0.00 0.00 -0.36 0.00 -0.01 0.00 0.00 57.90 57.53 3ias n TYR 597 Cb 0.01 0.00 -0.06 0.00 -0.02 0.00 0.00 39.34 39.27 3ias n TYR 597 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3ias s ALA 598 N -0.10 3.73 -0.25 -0.72 0.00 0.79 -4.81 121.76 120.39 3ias s ALA 598 Ca 0.00 -0.34 -0.09 0.00 0.00 0.00 0.00 51.96 51.53 3ias s ALA 598 Cb 0.00 -2.29 -0.16 0.00 0.00 0.00 0.00 23.12 20.68 3ias s ALA 598 CO 0.00 0.54 -0.19 0.72 0.00 0.00 0.00 175.76 176.83 3ias n HIS 599 N 1.31 0.23 -3.85 0.00 8.25 -0.80 -4.80 115.22 115.56 3ias n HIS 599 Ca -0.11 0.08 -0.28 0.00 -0.26 0.00 0.00 57.72 57.15 3ias n HIS 599 Cb 0.52 -1.03 -0.17 0.00 1.12 0.00 0.00 29.99 30.44 3ias n HIS 599 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3ias s VAL 600 N -2.50 0.95 -0.22 1.59 1.01 -0.90 -2.63 120.40 117.70 3ias s VAL 600 Ca -0.35 -0.55 -0.07 0.00 0.00 0.00 0.00 61.98 61.02 3ias s VAL 600 Cb 0.11 -1.17 -0.03 0.00 0.00 0.00 0.00 36.38 35.29 3ias s VAL 600 CO 0.56 0.09 0.05 -0.69 0.00 0.00 0.00 175.10 175.11 3ias s VAL 601 N 1.70 4.32 0.06 2.92 1.01 -0.23 -1.36 120.40 128.81 3ias s VAL 601 Ca 0.01 -0.18 0.08 0.00 0.00 0.00 0.00 61.98 61.88 3ias s VAL 601 Cb -0.15 -2.98 -0.03 0.00 0.00 0.00 0.00 36.38 33.21 3ias s VAL 601 CO -0.07 0.39 -0.19 -0.76 0.00 0.00 0.00 175.10 174.47 3ias s LEU 602 N 1.12 2.58 0.06 3.92 1.02 -0.63 0.07 118.68 126.83 3ias s LEU 602 Ca 0.04 -0.47 -0.30 0.00 0.02 0.00 0.00 54.13 53.42 3ias s LEU 602 Cb -0.14 -1.49 -0.05 0.00 0.02 0.00 0.00 46.19 44.53 3ias s LEU 602 CO 0.03 0.24 0.98 -2.16 0.02 0.00 0.00 176.35 175.46 3ias s PRO 603 N -1.55 4.63 0.15 1.29 0.04 -1.26 -3.03 135.00 135.26 3ias s PRO 603 Ca 0.15 1.45 0.09 0.00 0.04 0.00 0.00 61.00 62.73 3ias s PRO 603 Cb -0.10 -3.41 -0.04 0.00 0.04 0.00 0.00 34.50 30.98 3ias s PRO 603 CO 0.06 0.08 -0.20 0.00 0.04 0.00 0.00 177.00 176.98 3ias s ALA 604 N 0.47 2.01 0.56 8.56 0.00 0.23 -2.59 121.76 131.00 3ias s ALA 604 Ca 0.49 -1.44 -0.15 0.00 0.00 0.00 0.00 51.96 50.87 3ias s ALA 604 Cb -0.23 -0.22 -0.06 0.00 0.00 0.00 0.00 23.12 22.62 3ias s ALA 604 CO 0.29 0.29 1.01 -1.25 0.00 0.00 0.00 175.76 176.11 3ias s PRO 605 N -2.53 3.73 0.62 0.00 0.04 -1.26 -4.38 135.00 131.21 3ias s PRO 605 Ca 0.14 0.95 -0.08 0.00 0.04 0.00 0.00 61.00 62.04 3ias s PRO 605 Cb -0.07 -2.10 0.00 0.00 0.04 0.00 0.00 34.50 32.37 3ias s PRO 605 CO 0.06 -0.46 0.96 0.95 0.04 0.00 0.00 177.00 178.56 3ias s THR 606 N -2.74 3.82 0.58 1.26 -4.23 -1.26 -4.90 115.64 108.16 3ias s THR 606 Ca 0.59 0.25 0.28 0.00 -1.18 0.00 0.00 61.69 61.62 3ias s THR 606 Cb -0.11 -3.54 0.36 0.00 1.34 0.00 0.00 72.50 70.55 3ias s THR 606 CO 0.38 -0.62 2.05 2.19 -0.54 0.00 0.00 174.62 178.09 3ias h PHE 607 N -0.30 0.00 -0.77 3.99 -5.15 -1.98 -0.77 116.94 111.96 3ias h PHE 607 Ca -0.45 0.00 -0.01 0.00 -0.20 0.00 0.00 57.97 57.30 3ias h PHE 607 Cb 1.24 0.00 -0.04 0.00 0.22 0.00 0.00 35.95 37.38 3ias h PHE 607 CO 0.51 0.00 0.43 1.88 -2.00 0.00 0.00 178.31 179.13 3ias h TYR 608 N 0.00 1.06 -0.56 6.09 0.05 -1.91 -3.00 116.97 118.70 3ias h TYR 608 Ca 0.13 -0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.88 3ias h TYR 608 Cb 0.66 -0.34 0.00 0.00 1.01 0.00 0.00 36.73 38.06 3ias h TYR 608 CO 0.00 0.74 0.00 -0.85 -1.05 0.00 0.00 178.16 177.00 3ias n GLU 609 N -4.44 3.66 -0.25 4.88 0.28 -0.33 -2.18 120.64 122.26 3ias n GLU 609 Ca 0.07 -2.83 0.00 0.00 -0.16 0.00 0.00 57.16 54.25 3ias n GLU 609 Cb 0.09 -1.86 0.00 0.00 1.43 0.00 0.00 31.44 31.10 3ias n GLU 609 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 3ias n LYS 610 N 0.80 0.61 -3.71 3.44 5.02 -0.99 -4.57 118.16 118.75 3ias n LYS 610 Ca 0.24 0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 56.39 3ias n LYS 610 Cb 0.87 0.00 -0.09 0.00 -0.02 0.00 0.00 35.03 35.79 3ias n LYS 610 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 3ias s ARG 611 N -1.88 0.60 0.00 1.97 3.52 -1.26 -2.17 118.95 119.74 3ias s ARG 611 Ca 0.00 0.45 0.00 0.00 -0.13 0.00 0.00 55.73 56.05 3ias s ARG 611 Cb 0.00 0.29 0.00 0.00 -1.56 0.00 0.00 34.95 33.68 3ias s ARG 611 CO 0.00 -0.11 0.00 0.41 -0.81 0.00 0.00 175.30 174.79 3ias n GLY 612 N 2.38 0.97 3.73 8.12 0.00 -0.98 -4.96 105.19 114.46 3ias n GLY 612 Ca -0.15 -1.99 -0.23 0.00 0.00 0.00 0.00 46.02 43.64 3ias n GLY 612 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3ias s HIS 613 N -1.25 2.93 0.18 1.61 3.76 -1.26 0.50 115.29 121.77 3ias s HIS 613 Ca 0.00 -0.14 0.04 0.00 -0.15 0.00 0.00 55.06 54.81 3ias s HIS 613 Cb 0.00 -1.34 -0.05 0.00 1.11 0.00 0.00 32.58 32.30 3ias s HIS 613 CO 0.00 0.55 -0.07 -0.51 -0.85 0.00 0.00 174.74 173.87 3ias s LEU 614 N -3.55 2.40 -0.27 0.89 1.02 0.36 -0.38 118.68 119.15 3ias s LEU 614 Ca 0.31 -1.09 -0.03 0.00 0.02 0.00 0.00 54.13 53.34 3ias s LEU 614 Cb -0.08 -0.33 0.03 0.00 0.02 0.00 0.00 46.19 45.83 3ias s LEU 614 CO 0.22 -0.39 -0.02 -0.69 0.02 0.00 0.00 176.35 175.49 3ias s VAL 615 N -3.34 3.12 0.97 -1.59 1.01 -1.26 -1.13 120.40 118.17 3ias s VAL 615 Ca 0.21 -1.06 -0.11 0.00 0.00 0.00 0.00 61.98 61.02 3ias s VAL 615 Cb 0.04 -2.65 0.17 0.00 0.00 0.00 0.00 36.38 33.94 3ias s VAL 615 CO 0.04 0.09 1.10 0.21 0.00 0.00 0.00 175.10 176.53 3ias s ASN 616 N 1.34 2.62 0.00 3.32 3.84 0.33 -4.02 114.94 122.37 3ias s ASN 616 Ca -0.01 1.86 0.12 0.00 0.21 0.00 0.00 52.86 55.04 3ias s ASN 616 Cb -0.18 -2.43 0.53 0.00 -0.55 0.00 0.00 41.25 38.62 3ias s ASN 616 CO -0.02 -3.24 1.39 0.00 -2.79 0.00 0.00 177.10 172.44 3ias n LEU 617 N -4.30 0.00 -1.16 3.21 -0.00 -0.89 -0.18 117.00 113.68 3ias n LEU 617 Ca 0.08 0.49 0.08 0.00 -0.00 0.00 0.00 56.01 56.67 3ias n LEU 617 Cb 0.53 -0.49 0.28 0.00 -0.00 0.00 0.00 43.42 43.74 3ias n LEU 617 CO 0.53 -0.28 0.74 -1.84 -0.00 0.00 0.00 177.39 176.53 3ias n GLU 618 N -1.49 3.25 -0.69 1.47 0.28 -1.26 -4.25 120.64 117.95 3ias n GLU 618 Ca 0.03 -2.62 0.00 0.00 -0.16 0.00 0.00 57.16 54.41 3ias n GLU 618 Cb 0.14 -1.68 0.00 0.00 1.43 0.00 0.00 31.44 31.34 3ias n GLU 618 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3ias n GLY 619 N 0.69 1.54 3.77 -1.84 0.00 0.75 -4.51 105.19 105.58 3ias n GLY 619 Ca 0.21 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.84 3ias n GLY 619 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3ias s ARG 620 N -0.02 4.28 -0.26 1.61 3.52 -1.26 -1.38 118.95 125.44 3ias s ARG 620 Ca 0.00 1.86 -0.09 0.00 -0.13 0.00 0.00 55.73 57.38 3ias s ARG 620 Cb 0.00 -2.88 -0.03 0.00 -1.56 0.00 0.00 34.95 30.48 3ias s ARG 620 CO 0.00 -0.13 0.11 0.14 -0.81 0.00 0.00 175.30 174.61 3ias s VAL 621 N -1.32 4.64 0.03 7.11 -7.23 -0.60 0.12 120.40 123.16 3ias s VAL 621 Ca 0.52 -0.08 0.06 0.00 -1.81 0.00 0.00 61.98 60.67 3ias s VAL 621 Cb -0.32 -3.20 -0.03 0.00 0.56 0.00 0.00 36.38 33.39 3ias s VAL 621 CO 0.41 0.29 -0.16 -0.76 -0.31 0.00 0.00 175.10 174.57 3ias s LEU 622 N 1.66 2.73 0.69 1.32 1.43 -0.28 -0.73 118.68 125.49 3ias s LEU 622 Ca 0.06 -0.37 -0.11 0.00 -1.03 0.00 0.00 54.13 52.69 3ias s LEU 622 Cb -0.15 -1.59 0.00 0.00 0.03 0.00 0.00 46.19 44.48 3ias s LEU 622 CO 0.06 0.26 1.06 -2.16 0.23 0.00 0.00 176.35 175.80 3ias s PRO 623 N -1.44 3.04 -0.13 1.29 0.04 -1.26 -0.49 135.00 136.05 3ias s PRO 623 Ca 0.15 0.73 -0.01 0.00 0.04 0.00 0.00 61.00 61.91 3ias s PRO 623 Cb -0.11 -2.02 0.04 0.00 0.04 0.00 0.00 34.50 32.45 3ias s PRO 623 CO 0.06 -0.97 -0.02 -0.51 0.04 0.00 0.00 177.00 175.60 3ias s LEU 624 N -5.41 1.07 0.41 -3.56 1.43 0.18 -3.73 118.68 109.07 3ias s LEU 624 Ca 0.57 -0.43 0.02 0.00 -1.03 0.00 0.00 54.13 53.26 3ias s LEU 624 Cb -0.12 -0.66 -0.01 0.00 0.03 0.00 0.00 46.19 45.43 3ias s LEU 624 CO 0.54 -0.20 0.60 -0.44 0.23 0.00 0.00 176.35 177.08 3ias s SER 625 N 1.82 5.93 -0.26 2.29 0.01 -1.26 -2.32 113.70 119.91 3ias s SER 625 Ca 0.03 0.19 -0.10 0.00 1.31 0.00 0.00 55.95 57.38 3ias s SER 625 Cb -0.14 -1.53 -0.04 0.00 0.21 0.00 0.00 66.02 64.51 3ias s SER 625 CO -0.07 -0.58 0.15 -2.16 0.41 0.00 0.00 173.24 170.99 3ias s PRO 626 N -4.43 3.92 0.33 12.44 0.04 -0.92 -4.23 135.00 142.15 3ias s PRO 626 Ca 0.46 -0.34 -0.24 0.00 0.04 0.00 0.00 61.00 60.91 3ias s PRO 626 Cb -0.10 -3.53 -0.10 0.00 0.04 0.00 0.00 34.50 30.81 3ias s PRO 626 CO 0.36 -0.10 0.92 0.00 0.04 0.00 0.00 177.00 178.22 3ias s ALA 627 N 1.48 3.20 -0.27 8.56 0.00 -0.93 -4.94 121.76 128.87 3ias s ALA 627 Ca 0.07 0.46 -0.05 0.00 0.00 0.00 0.00 51.96 52.44 3ias s ALA 627 Cb -0.15 -3.14 -0.19 0.00 0.00 0.00 0.00 23.12 19.65 3ias s ALA 627 CO 0.07 0.18 2.90 -2.30 0.00 0.00 0.00 175.76 176.62 3ias n PRO 628 N 0.35 1.87 -2.21 0.00 -0.02 -1.26 -4.68 135.00 129.05 3ias n PRO 628 Ca 0.02 -1.01 -0.27 0.00 -2.02 0.00 0.00 63.50 60.22 3ias n PRO 628 Cb 0.51 -2.05 0.13 0.00 -0.02 0.00 0.00 33.50 32.07 3ias n PRO 628 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3ias s ILE 629 N 1.69 2.10 -1.01 4.25 1.01 -1.26 -3.67 121.20 124.30 3ias s ILE 629 Ca 0.54 -0.26 -0.22 0.00 0.00 0.00 0.00 60.65 60.70 3ias s ILE 629 Cb 0.23 -2.84 0.06 0.00 0.01 0.00 0.00 42.46 39.93 3ias s ILE 629 CO -0.01 0.00 1.40 -0.70 0.00 0.00 0.00 174.94 175.63 3ias s GLU 630 N -5.50 3.60 0.22 2.79 2.56 -0.36 -4.82 118.70 117.19 3ias s GLU 630 Ca 0.68 -1.24 -0.09 0.00 0.00 0.00 0.00 54.97 54.33 3ias s GLU 630 Cb -0.06 -5.29 0.18 0.00 2.00 0.00 0.00 34.13 30.96 3ias s GLU 630 CO 0.48 -2.14 1.86 -2.95 -0.56 0.00 0.00 175.26 171.96 3ias h ASN 631 N 9.61 0.98 0.00 -1.70 -1.07 -1.93 -3.49 115.58 117.98 3ias h ASN 631 Ca 0.20 -0.06 0.00 0.00 0.07 0.00 0.00 56.30 56.50 3ias h ASN 631 Cb 1.01 -0.25 0.00 0.00 -2.07 0.00 0.00 38.32 37.01 3ias h ASN 631 CO 1.38 0.75 0.00 0.61 0.07 0.00 0.00 177.43 180.24 3ias n GLY 632 N -1.21 0.15 2.83 9.14 0.00 -1.26 -3.92 105.19 110.92 3ias n GLY 632 Ca 0.08 -1.06 -0.40 0.00 0.00 0.00 0.00 46.02 44.65 3ias n GLY 632 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3ias n GLU 633 N 7.41 3.44 -4.23 1.61 1.02 -0.33 -5.00 120.64 124.56 3ias n GLU 633 Ca 0.00 -3.86 -0.24 0.00 -0.02 0.00 0.00 57.16 53.03 3ias n GLU 633 Cb 0.00 -2.32 -0.07 0.00 -0.02 0.00 0.00 31.44 29.03 3ias n GLU 633 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3ias s ALA 634 N -4.11 3.23 0.04 0.62 0.00 -1.25 -4.64 121.76 115.64 3ias s ALA 634 Ca 0.49 -1.50 0.00 0.00 0.00 0.00 0.00 51.96 50.95 3ias s ALA 634 Cb 0.38 -0.93 -0.03 0.00 0.00 0.00 0.00 23.12 22.53 3ias s ALA 634 CO -0.34 0.36 -0.04 -1.21 0.00 0.00 0.00 175.76 174.53 3ias s GLU 635 N -3.36 0.49 0.66 0.00 2.02 -1.07 -4.92 118.70 112.52 3ias s GLU 635 Ca 0.30 -0.88 -0.15 0.00 0.02 0.00 0.00 54.97 54.25 3ias s GLU 635 Cb -0.08 0.04 0.00 0.00 0.10 0.00 0.00 34.13 34.20 3ias s GLU 635 CO 0.20 -0.05 1.13 0.20 0.02 0.00 0.00 175.26 176.76 3ias s GLY 636 N -2.06 2.23 0.39 -1.39 0.00 -1.26 -4.45 107.32 100.78 3ias s GLY 636 Ca -0.06 0.63 0.19 0.00 0.00 0.00 0.00 44.72 45.48 3ias s GLY 636 CO -0.04 0.99 1.51 0.00 0.00 0.00 0.00 173.10 175.56 3ias h ALA 637 N 0.06 1.18 -0.16 3.20 0.00 -1.96 0.54 119.26 122.11 3ias h ALA 637 Ca -0.47 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.39 3ias h ALA 637 Cb 1.26 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 3ias h ALA 637 CO 0.53 -0.18 -0.13 1.25 0.00 0.00 0.00 179.25 180.73 3ias h LEU 638 N 0.00 0.24 0.00 0.00 5.85 -1.93 0.60 115.31 120.07 3ias h LEU 638 Ca 0.00 -0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.67 3ias h LEU 638 Cb 0.48 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 41.44 3ias h LEU 638 CO 0.00 0.40 -0.36 -0.61 -0.34 0.00 0.00 178.44 177.53 3ias h GLN 639 N 0.24 0.00 -0.94 1.25 5.75 -1.14 -3.28 115.11 116.99 3ias h GLN 639 Ca 0.05 0.00 0.28 0.00 -0.15 0.00 0.00 58.65 58.83 3ias h GLN 639 Cb 0.38 0.00 -0.15 0.00 1.07 0.00 0.00 27.48 28.79 3ias h GLN 639 CO 0.02 0.02 0.38 0.28 -2.65 0.00 0.00 178.83 176.89 3ias h VAL 640 N -1.00 0.28 0.52 2.39 2.07 -1.55 0.38 116.25 119.34 3ias h VAL 640 Ca -0.01 -0.08 -0.03 0.00 0.82 0.00 0.00 66.70 67.41 3ias h VAL 640 Cb 0.37 0.02 0.01 0.00 -1.52 0.00 0.00 31.29 30.16 3ias h VAL 640 CO -0.00 0.04 -0.25 -0.07 0.02 0.00 0.00 177.57 177.31 3ias h LEU 641 N 0.24 -0.59 -1.34 2.57 3.38 -1.06 0.32 115.31 118.83 3ias h LEU 641 Ca 0.64 -0.01 0.16 0.00 0.09 0.00 0.00 57.88 58.77 3ias h LEU 641 Cb 1.40 0.15 -0.07 0.00 0.09 0.00 0.00 40.66 42.24 3ias h LEU 641 CO -0.65 -0.38 0.57 0.00 0.09 0.00 0.00 178.44 178.07 3ias h ALA 642 N -0.30 1.92 -0.25 1.53 0.00 -0.87 0.53 119.26 121.83 3ias h ALA 642 Ca -0.07 0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.70 3ias h ALA 642 Cb 0.56 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.26 3ias h ALA 642 CO 0.12 -0.18 -0.48 1.25 0.00 0.00 0.00 179.25 179.96 3ias h LEU 643 N 0.61 0.85 0.00 0.00 5.85 -0.04 -2.66 115.31 119.92 3ias h LEU 643 Ca 0.45 -0.54 0.00 0.00 0.84 0.00 0.00 57.88 58.63 3ias h LEU 643 Cb 0.83 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.62 3ias h LEU 643 CO -0.20 1.23 0.00 -0.11 -0.34 0.00 0.00 178.44 179.02 3ias n LEU 644 N -4.12 0.00 0.03 2.25 0.00 0.07 -2.71 117.00 112.52 3ias n LEU 644 Ca -0.05 0.23 -0.11 0.00 0.00 0.00 0.00 56.01 56.08 3ias n LEU 644 Cb 0.58 -0.23 -0.13 0.00 0.00 0.00 0.00 43.42 43.64 3ias n LEU 644 CO 0.48 -0.01 -0.29 0.00 0.00 0.00 0.00 177.39 177.57 3ias h ALA 645 N 3.47 0.50 0.07 1.96 0.00 -0.58 -3.35 119.26 121.32 3ias h ALA 645 Ca 0.00 -1.20 -0.00 0.00 0.00 0.00 0.00 54.91 53.70 3ias h ALA 645 Cb 0.21 0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.26 3ias h ALA 645 CO 0.00 1.35 -0.03 0.93 0.00 0.00 0.00 179.25 181.50 3ias h GLU 646 N 0.02 -0.09 0.00 0.00 5.08 -1.32 -2.55 114.58 115.72 3ias h GLU 646 Ca -0.20 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.17 3ias h GLU 646 Cb 1.95 0.02 0.00 0.00 0.50 0.00 0.00 28.75 31.22 3ias h GLU 646 CO 0.12 0.31 0.00 0.00 -1.00 0.00 0.00 179.01 178.44 3ias n ALA 647 N -2.35 1.64 -0.00 3.43 0.00 -1.21 -1.70 120.51 120.30 3ias n ALA 647 Ca -0.08 -0.01 -0.01 0.00 0.00 0.00 0.00 53.44 53.34 3ias n ALA 647 Cb 0.23 -1.02 -0.01 0.00 0.00 0.00 0.00 19.45 18.65 3ias n ALA 647 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3ias n LEU 648 N -0.68 0.74 0.00 0.00 4.77 -1.13 -4.53 117.00 116.17 3ias n LEU 648 Ca 0.01 -0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 3ias n LEU 648 Cb 0.01 0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 3ias n LEU 648 CO 0.01 0.15 0.00 0.61 -1.33 0.00 0.00 177.39 176.82 3ias n GLY 649 N 3.07 -0.90 3.74 -0.72 0.00 -0.69 -4.98 105.19 104.72 3ias n GLY 649 Ca -0.02 0.33 -0.42 0.00 0.00 0.00 0.00 46.02 45.92 3ias n GLY 649 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3ias n VAL 650 N 0.00 1.32 -2.24 1.61 0.31 -1.25 -4.69 118.33 113.39 3ias n VAL 650 Ca 0.00 -0.33 -0.42 0.00 -0.01 0.00 0.00 64.34 63.58 3ias n VAL 650 Cb 0.00 -1.91 -0.03 0.00 -0.91 0.00 0.00 33.84 30.99 3ias n VAL 650 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3ias s ARG 651 N -0.98 4.34 0.88 5.55 1.04 -1.26 -4.10 118.95 124.42 3ias s ARG 651 Ca 0.61 1.98 -0.10 0.00 -1.04 0.00 0.00 55.73 57.18 3ias s ARG 651 Cb -0.51 -3.32 0.12 0.00 -2.04 0.00 0.00 34.95 29.20 3ias s ARG 651 CO 0.53 -0.42 1.13 -1.25 -0.04 0.00 0.00 175.30 175.26 3ias s PRO 652 N 1.30 1.32 0.22 3.89 0.04 -1.26 -4.97 135.00 135.55 3ias s PRO 652 Ca 0.63 1.46 0.24 0.00 0.04 0.00 0.00 61.00 63.37 3ias s PRO 652 Cb -0.34 -1.77 0.37 0.00 0.04 0.00 0.00 34.50 32.80 3ias s PRO 652 CO 0.29 -2.39 1.42 -1.35 0.04 0.00 0.00 177.00 175.01 3ias h PRO 653 N -1.68 0.00 -5.17 0.56 0.11 -1.95 -3.46 132.00 120.41 3ias h PRO 653 Ca -0.43 0.00 -0.66 0.00 0.11 0.00 0.00 66.00 65.02 3ias h PRO 653 Cb 1.26 0.00 -0.29 0.00 0.11 0.00 0.00 31.00 32.08 3ias h PRO 653 CO 0.44 0.00 -0.77 -0.06 -0.21 0.00 0.00 178.00 177.40 3ias s PHE 654 N -3.21 2.85 0.00 0.65 0.40 -1.26 -4.95 117.98 112.46 3ias s PHE 654 Ca 0.06 -0.92 0.00 0.00 -0.60 0.00 0.00 56.93 55.47 3ias s PHE 654 Cb 0.11 -1.94 0.00 0.00 0.51 0.00 0.00 43.02 41.70 3ias s PHE 654 CO 0.70 -0.43 0.00 0.54 0.70 0.00 0.00 175.22 176.73 3ias n ARG 655 N 4.12 0.00 -2.52 0.44 1.74 -1.26 -4.74 116.66 114.44 3ias n ARG 655 Ca -0.19 0.00 -0.10 0.00 -0.77 0.00 0.00 57.85 56.80 3ias n ARG 655 Cb 0.52 -0.19 -0.01 0.00 -1.02 0.00 0.00 32.46 31.76 3ias n ARG 655 CO 0.00 0.00 0.00 1.47 -1.52 0.00 0.00 177.63 177.58 3ias n LEU 656 N -1.89 0.00 -0.02 0.55 -0.00 -1.26 -4.58 117.00 109.81 3ias n LEU 656 Ca 0.00 -0.99 -0.13 0.00 -0.00 0.00 0.00 56.01 54.89 3ias n LEU 656 Cb 0.00 0.04 -0.10 0.00 -0.00 0.00 0.00 43.42 43.36 3ias n LEU 656 CO 0.00 -0.27 0.57 -0.74 -0.00 0.00 0.00 177.39 176.94 3ias h HIS 657 N 0.77 -0.02 -0.96 1.47 -0.00 -1.99 -1.58 115.15 112.84 3ias h HIS 657 Ca -0.13 -0.00 0.24 0.00 -0.00 0.00 0.00 60.37 60.48 3ias h HIS 657 Cb 0.42 0.01 -0.07 0.00 -0.00 0.00 0.00 27.41 27.77 3ias h HIS 657 CO 0.00 0.55 0.64 1.25 -0.00 0.00 0.00 177.93 180.37 3ias h LEU 658 N -0.62 0.36 0.00 0.26 6.46 -2.01 0.12 115.31 119.88 3ias h LEU 658 Ca -0.00 0.05 -0.28 0.00 -0.12 0.00 0.00 57.88 57.52 3ias h LEU 658 Cb 0.59 -0.02 -0.05 0.00 -0.73 0.00 0.00 40.66 40.45 3ias h LEU 658 CO 0.00 0.12 -1.80 -0.62 -0.62 0.00 0.00 178.44 175.53 3ias n GLU 659 N -4.50 0.64 0.15 1.25 -0.58 -1.23 -3.90 120.64 112.47 3ias n GLU 659 Ca 0.21 0.22 0.00 0.00 -0.42 0.00 0.00 57.16 57.18 3ias n GLU 659 Cb 0.81 -1.74 0.28 0.00 -0.57 0.00 0.00 31.44 30.22 3ias n GLU 659 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3ias h ALA 660 N 1.09 1.22 -0.73 0.62 0.00 0.03 -2.91 119.26 118.58 3ias h ALA 660 Ca -0.31 -0.41 0.13 0.00 0.00 0.00 0.00 54.91 54.32 3ias h ALA 660 Cb 1.97 -0.08 -0.09 0.00 0.00 0.00 0.00 17.79 19.60 3ias h ALA 660 CO 0.06 0.57 0.30 1.96 0.00 0.00 0.00 179.25 182.14 3ias h GLN 661 N 0.05 0.46 -0.82 0.00 1.08 -0.97 -1.46 115.11 113.45 3ias h GLN 661 Ca 0.00 -0.03 0.15 0.00 -1.45 0.00 0.00 58.65 57.32 3ias h GLN 661 Cb 0.80 -0.10 -0.06 0.00 -0.05 0.00 0.00 27.48 28.07 3ias h GLN 661 CO 0.06 0.30 0.54 0.87 -0.95 0.00 0.00 178.83 179.65 3ias h LYS 662 N 0.47 0.53 0.00 1.46 1.57 -1.68 -0.96 116.57 117.96 3ias h LYS 662 Ca 0.39 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 59.12 3ias h LYS 662 Cb 0.55 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.74 3ias h LYS 662 CO -0.37 0.35 -0.17 0.00 -0.57 0.00 0.00 179.45 178.69 3ias h ALA 663 N 1.62 0.91 0.09 3.86 0.00 -1.39 -1.44 119.26 122.91 3ias h ALA 663 Ca 0.41 -0.09 -0.20 0.00 0.00 0.00 0.00 54.91 55.04 3ias h ALA 663 Cb 0.80 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.58 3ias h ALA 663 CO -0.16 0.11 -0.97 -0.07 0.00 0.00 0.00 179.25 178.16 3ias h LEU 664 N 0.00 0.30 -1.00 0.00 3.38 -1.24 -3.01 115.31 113.74 3ias h LEU 664 Ca -0.00 -0.87 0.00 0.00 0.09 0.00 0.00 57.88 57.10 3ias h LEU 664 Cb 1.07 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.72 3ias h LEU 664 CO 0.01 1.43 0.00 1.17 0.09 0.00 0.00 178.44 181.14 3ias n LYS 665 N -4.16 0.12 0.06 1.13 4.81 -0.44 -2.14 118.16 117.54 3ias n LYS 665 Ca -0.20 0.56 -0.04 0.00 -0.87 0.00 0.00 58.31 57.75 3ias n LYS 665 Cb 0.78 -1.85 -0.02 0.00 0.02 0.00 0.00 35.03 33.96 3ias n LYS 665 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3ias h ALA 666 N 2.08 -0.26 0.00 3.14 0.00 -1.29 -3.26 119.26 119.67 3ias h ALA 666 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3ias h ALA 666 Cb 0.09 0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3ias h ALA 666 CO 0.00 -0.24 0.05 0.54 0.00 0.00 0.00 179.25 179.60 3ias n ARG 667 N -4.95 0.00 -2.93 0.00 1.74 -0.91 -4.83 116.66 104.78 3ias n ARG 667 Ca -0.03 0.26 -0.11 0.00 -0.77 0.00 0.00 57.85 57.19 3ias n ARG 667 Cb 0.11 -1.55 0.06 0.00 -1.02 0.00 0.00 32.46 30.06 3ias n ARG 667 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3ias n LYS 668 N -1.22 -4.17 -3.40 5.56 5.02 -0.96 -5.03 118.16 113.97 3ias n LYS 668 Ca 0.00 0.57 -0.38 0.00 -2.02 0.00 0.00 58.31 56.48 3ias n LYS 668 Cb 0.05 -4.72 -0.08 0.00 -0.02 0.00 0.00 35.03 30.26 3ias n LYS 668 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3ias s VAL 669 N -3.24 5.19 0.96 -0.18 0.11 -1.06 -5.04 120.40 117.14 3ias s VAL 669 Ca 0.03 0.64 -0.14 0.00 -2.93 0.00 0.00 61.98 59.58 3ias s VAL 669 Cb -0.00 -3.71 -0.02 0.00 -1.53 0.00 0.00 36.38 31.12 3ias s VAL 669 CO 0.49 0.22 0.05 -0.81 -3.33 0.00 0.00 175.10 171.72 3ias n PRO 670 N 4.81 -0.21 0.00 1.54 -0.04 -1.26 -4.63 135.00 135.21 3ias n PRO 670 Ca -0.08 -0.03 0.00 0.00 -0.04 0.00 0.00 63.50 63.34 3ias n PRO 670 Cb 0.51 -1.61 0.00 0.00 -0.04 0.00 0.00 33.50 32.36 3ias n PRO 670 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 3ias n GLU 671 N -0.48 -0.47 -1.64 0.54 4.07 -1.26 -4.85 120.64 116.54 3ias n GLU 671 Ca 0.04 0.00 -0.40 0.00 -0.06 0.00 0.00 57.16 56.75 3ias n GLU 671 Cb 0.54 0.00 0.03 0.00 -0.06 0.00 0.00 31.44 31.95 3ias n GLU 671 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3ias n ALA 672 N -3.00 0.57 0.00 4.31 0.00 -1.26 -2.62 120.51 118.51 3ias n ALA 672 Ca 0.00 0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.59 3ias n ALA 672 Cb 0.00 -2.16 0.00 0.00 0.00 0.00 0.00 19.45 17.29 3ias n ALA 672 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 3ias n MET 673 N -0.40 0.00 -0.78 0.00 2.81 0.09 -4.97 117.12 113.88 3ias n MET 673 Ca 0.10 0.00 -0.31 0.00 -1.81 0.00 0.00 57.70 55.68 3ias n MET 673 Cb 0.43 -0.96 0.16 0.00 -0.71 0.00 0.00 33.22 32.14 3ias n MET 673 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 3ias s GLY 674 N -0.29 1.68 -0.13 3.03 0.00 -1.08 -4.50 107.32 106.04 3ias s GLY 674 Ca 0.00 0.51 -0.03 0.00 0.00 0.00 0.00 44.72 45.21 3ias s GLY 674 CO 0.00 0.93 -0.03 0.50 0.00 0.00 0.00 173.10 174.50 3ias s ARG 675 N -4.68 3.40 -0.38 2.90 0.52 -1.26 -1.55 118.95 117.89 3ias s ARG 675 Ca 0.66 -0.50 -0.16 0.00 -0.52 0.00 0.00 55.73 55.21 3ias s ARG 675 Cb -0.22 -2.84 0.01 0.00 0.52 0.00 0.00 34.95 32.41 3ias s ARG 675 CO 0.58 0.39 0.36 -1.17 0.02 0.00 0.00 175.30 175.48 3ias s LEU 676 N -0.05 4.76 -0.05 2.53 1.98 -0.48 -4.87 118.68 122.49 3ias s LEU 676 Ca 0.02 -0.57 -0.25 0.00 -2.89 0.00 0.00 54.13 50.44 3ias s LEU 676 Cb -0.13 -2.29 -0.03 0.00 0.66 0.00 0.00 46.19 44.40 3ias s LEU 676 CO 0.03 -0.43 0.77 -0.94 -1.89 0.00 0.00 176.35 173.88 3ias s SER 677 N 1.74 7.07 -0.30 3.68 1.04 -1.26 -4.84 113.70 120.83 3ias s SER 677 Ca 0.09 1.30 -0.09 0.00 0.48 0.00 0.00 55.95 57.73 3ias s SER 677 Cb -0.17 -2.45 0.18 0.00 0.10 0.00 0.00 66.02 63.68 3ias s SER 677 CO 0.12 -0.16 0.91 0.12 0.98 0.00 0.00 173.24 175.21 3ias s PHE 678 N 0.89 -0.86 0.50 5.02 5.36 -1.26 -5.17 117.98 122.46 3ias s PHE 678 Ca 0.41 0.89 0.07 0.00 -0.96 0.00 0.00 56.93 57.34 3ias s PHE 678 Cb -0.18 0.29 0.04 0.00 -0.34 0.00 0.00 43.02 42.83 3ias s PHE 678 CO 0.20 -0.47 0.68 1.03 -1.46 0.00 0.00 175.22 175.20 3ias s ARG 679 N 2.93 2.58 -0.30 10.12 0.52 -1.26 -4.76 118.95 128.78 3ias s ARG 679 Ca 0.06 -1.26 -0.13 0.00 -0.52 0.00 0.00 55.73 53.88 3ias s ARG 679 Cb -0.11 -2.66 0.17 0.00 0.52 0.00 0.00 34.95 32.86 3ias s ARG 679 CO -0.14 -0.56 0.95 -1.17 0.02 0.00 0.00 175.30 174.40 3ias s LEU 680 N -4.54 -0.66 -0.60 2.53 0.20 -1.21 -4.95 118.68 109.45 3ias s LEU 680 Ca 0.58 0.71 -0.05 0.00 0.69 0.00 0.00 54.13 56.06 3ias s LEU 680 Cb -0.09 1.67 0.16 0.00 -0.43 0.00 0.00 46.19 47.50 3ias s LEU 680 CO 0.36 -0.12 0.44 -0.54 -0.29 0.00 0.00 176.35 176.19 3ias s LYS 681 N 2.64 2.61 -0.29 1.98 1.02 -1.26 -3.88 119.74 122.56 3ias s LYS 681 Ca 0.00 -2.34 -0.20 0.00 0.02 0.00 0.00 55.97 53.45 3ias s LYS 681 Cb -0.08 -3.82 0.17 0.00 -0.52 0.00 0.00 37.83 33.57 3ias s LYS 681 CO -0.16 -1.18 1.18 -1.83 -0.92 0.00 0.00 175.35 172.44 3ias s GLU 682 N 0.29 0.24 -0.08 1.68 -1.05 -1.26 -5.18 118.70 113.34 3ias s GLU 682 Ca 0.15 0.35 -0.04 0.00 -0.15 0.00 0.00 54.97 55.28 3ias s GLU 682 Cb -0.20 0.08 0.04 0.00 -0.44 0.00 0.00 34.13 33.61 3ias s GLU 682 CO -0.04 -0.04 0.18 -0.48 0.95 0.00 0.00 175.26 175.83 3ias s LEU 683 N 0.70 0.54 -0.58 1.83 2.34 -1.26 -4.53 118.68 117.72 3ias s LEU 683 Ca -0.02 0.38 -0.07 0.00 0.06 0.00 0.00 54.13 54.48 3ias s LEU 683 Cb -0.04 0.48 0.15 0.00 -0.56 0.00 0.00 46.19 46.22 3ias s LEU 683 CO -0.12 -0.16 0.44 0.00 -1.06 0.00 0.00 176.35 175.44 3ias s ARG 684 N 1.32 2.65 1.16 1.48 1.70 -1.20 -5.07 118.95 120.99 3ias s ARG 684 Ca -0.08 -2.17 -0.16 0.00 -0.47 0.00 0.00 55.73 52.85 3ias s ARG 684 Cb -0.11 -3.91 0.27 0.00 -0.57 0.00 0.00 34.95 30.63 3ias s ARG 684 CO -0.07 -1.19 1.07 -1.25 -1.08 0.00 0.00 175.30 172.78 3ias s PRO 685 N 0.62 -0.90 -0.13 3.89 0.04 -1.26 -4.77 135.00 132.49 3ias s PRO 685 Ca 0.12 0.27 -0.30 0.00 0.04 0.00 0.00 61.00 61.13 3ias s PRO 685 Cb -0.21 -1.60 0.12 0.00 0.04 0.00 0.00 34.50 32.84 3ias s PRO 685 CO -0.03 -3.57 0.94 0.21 0.04 0.00 0.00 177.00 174.59 3ias s LYS 686 N -5.08 0.68 0.69 4.56 2.20 -1.26 -5.08 119.74 116.45 3ias s LYS 686 Ca 0.68 0.12 -0.11 0.00 -0.36 0.00 0.00 55.97 56.30 3ias s LYS 686 Cb -0.15 0.32 0.00 0.00 -1.51 0.00 0.00 37.83 36.49 3ias s LYS 686 CO 0.58 -0.22 1.06 -1.83 -0.36 0.00 0.00 175.35 174.58 3ias s GLU 687 N -1.30 3.01 -0.26 4.03 -1.05 -1.26 -4.90 118.70 116.96 3ias s GLU 687 Ca -0.02 0.76 0.01 0.00 -0.15 0.00 0.00 54.97 55.56 3ias s GLU 687 Cb -0.00 -2.01 0.05 0.00 -0.44 0.00 0.00 34.13 31.72 3ias s GLU 687 CO 0.02 -1.00 -0.09 1.03 0.95 0.00 0.00 175.26 176.18 3ias s ARG 688 N -5.16 2.42 -1.56 -4.83 1.81 -1.26 -5.03 118.95 105.34 3ias s ARG 688 Ca 0.57 -1.24 -0.12 0.00 -1.72 0.00 0.00 55.73 53.23 3ias s ARG 688 Cb -0.13 -2.94 -0.04 0.00 -0.45 0.00 0.00 34.95 31.39 3ias s ARG 688 CO 0.54 -0.53 2.68 0.36 -0.68 0.00 0.00 175.30 177.67 3ias n LYS 689 N 4.52 3.37 -1.55 3.54 2.85 -1.26 -4.92 118.16 124.72 3ias n LYS 689 Ca -0.15 -2.35 -0.13 0.00 -1.05 0.00 0.00 58.31 54.63 3ias n LYS 689 Cb 0.44 -2.98 -0.10 0.00 -0.65 0.00 0.00 35.03 31.73 3ias n LYS 689 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3ias n GLY 690 N 3.78 -0.37 0.79 2.58 0.00 -1.26 -3.49 105.19 107.22 3ias n GLY 690 Ca 0.69 0.14 -0.03 0.00 0.00 0.00 0.00 46.02 46.81 3ias n GLY 690 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ias n ALA 691 N 19.00 2.46 -2.67 4.61 0.00 -1.21 -5.00 120.51 137.70 3ias n ALA 691 Ca 0.41 -0.23 -0.30 0.00 0.00 0.00 0.00 53.44 53.33 3ias n ALA 691 Cb 0.46 0.24 -0.08 0.00 0.00 0.00 0.00 19.45 20.06 3ias n ALA 691 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 3ias s PHE 692 N -2.22 2.95 -0.22 0.00 0.40 0.25 -3.55 117.98 115.58 3ias s PHE 692 Ca -0.08 -0.05 0.01 0.00 -0.60 0.00 0.00 56.93 56.21 3ias s PHE 692 Cb 0.02 -1.51 0.03 0.00 0.51 0.00 0.00 43.02 42.07 3ias s PHE 692 CO 0.12 0.48 -0.14 -0.47 0.70 0.00 0.00 175.22 175.90 3ias s TYR 693 N -1.34 3.01 -0.70 0.36 5.04 -0.28 -0.52 117.35 122.92 3ias s TYR 693 Ca 0.25 -1.86 -0.26 0.00 -2.44 0.00 0.00 57.07 52.76 3ias s TYR 693 Cb -0.11 -1.95 -0.02 0.00 0.35 0.00 0.00 41.96 40.22 3ias s TYR 693 CO 0.18 -0.82 1.81 -0.51 -1.34 0.00 0.00 175.55 174.88 3ias s LEU 694 N 1.23 3.26 -0.18 6.97 1.43 0.41 -0.78 118.68 131.01 3ias s LEU 694 Ca -0.01 -0.03 -0.29 0.00 -1.03 0.00 0.00 54.13 52.77 3ias s LEU 694 Cb -0.16 -2.54 -0.02 0.00 0.03 0.00 0.00 46.19 43.49 3ias s LEU 694 CO -0.08 -2.38 1.45 -0.60 0.23 0.00 0.00 176.35 174.96 3ias s ARG 695 N 6.85 4.04 0.14 1.70 3.52 0.24 -1.74 118.95 133.69 3ias s ARG 695 Ca 0.64 1.69 -0.34 0.00 -0.13 0.00 0.00 55.73 57.58 3ias s ARG 695 Cb -0.10 -3.91 -0.15 0.00 -1.56 0.00 0.00 34.95 29.23 3ias s ARG 695 CO 0.14 -0.98 1.47 -0.35 -0.81 0.00 0.00 175.30 174.78 3ias n PRO 696 N 7.14 1.79 -4.29 5.12 -0.04 -1.26 -1.42 135.00 142.04 3ias n PRO 696 Ca 0.16 0.64 -0.20 0.00 -0.04 0.00 0.00 63.50 64.07 3ias n PRO 696 Cb 0.45 -2.35 -0.11 0.00 -0.04 0.00 0.00 33.50 31.44 3ias n PRO 696 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 3ias s THR 697 N 0.65 1.57 0.00 0.52 -4.23 -1.26 -4.73 115.64 108.16 3ias s THR 697 Ca 0.79 -1.85 -0.23 0.00 -1.18 0.00 0.00 61.69 59.22 3ias s THR 697 Cb -0.77 -1.72 -0.13 0.00 1.34 0.00 0.00 72.50 71.23 3ias s THR 697 CO 0.42 -0.39 0.98 -0.03 -0.54 0.00 0.00 174.62 175.06 3ias h MET 698 N 3.31 -0.80 -7.07 3.99 4.05 -1.84 -3.44 114.93 113.12 3ias h MET 698 Ca -0.41 0.05 -0.55 0.00 -0.28 0.00 0.00 59.70 58.52 3ias h MET 698 Cb 1.20 0.18 0.14 0.00 -0.80 0.00 0.00 31.60 32.32 3ias h MET 698 CO 0.52 -0.54 0.56 -1.58 0.23 0.00 0.00 176.91 176.10 3ias s TRP 699 N -4.28 2.25 0.20 1.39 0.52 -1.26 -4.97 118.94 112.79 3ias s TRP 699 Ca -0.12 1.43 0.03 0.00 0.02 0.00 0.00 56.10 57.46 3ias s TRP 699 Cb 0.01 -3.72 -0.03 0.00 -1.15 0.00 0.00 33.47 28.58 3ias s TRP 699 CO 0.37 -2.78 0.34 0.15 0.02 0.00 0.00 176.95 175.05 3ias s LYS 700 N -3.10 3.45 0.20 4.98 3.01 -1.26 -4.69 119.74 122.33 3ias s LYS 700 Ca 0.76 -0.63 -0.08 0.00 -1.01 0.00 0.00 55.97 55.00 3ias s LYS 700 Cb -0.38 -2.90 0.11 0.00 -1.01 0.00 0.00 37.83 33.64 3ias s LYS 700 CO 0.43 0.45 1.70 0.00 0.51 0.00 0.00 175.35 178.44 3ias h ALA 701 N 1.64 0.92 0.00 5.17 0.00 -1.61 -2.95 119.26 122.43 3ias h ALA 701 Ca -0.50 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.15 3ias h ALA 701 Cb 1.21 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.74 3ias h ALA 701 CO 0.65 0.67 0.00 -2.39 0.00 0.00 0.00 179.25 178.18 3ias n HIS 702 N -4.22 0.00 0.65 0.00 1.44 -1.26 -3.31 115.22 108.52 3ias n HIS 702 Ca 0.05 0.00 0.07 0.00 -2.01 0.00 0.00 57.72 55.83 3ias n HIS 702 Cb 0.28 -0.07 -0.05 0.00 0.12 0.00 0.00 29.99 30.26 3ias n HIS 702 CO 0.00 0.00 0.00 1.04 -2.81 0.00 0.00 176.34 174.57 3ias n GLN 703 N -0.07 2.23 -0.73 -1.40 6.02 -1.11 -4.81 117.38 117.50 3ias n GLN 703 Ca 0.00 -0.27 -0.36 0.00 -0.01 0.00 0.00 57.00 56.37 3ias n GLN 703 Cb 0.19 -1.17 -0.07 0.00 1.02 0.00 0.00 30.24 30.21 3ias n GLN 703 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3ias n ALA 704 N -0.91 2.35 -2.86 -1.58 0.00 -1.21 -4.52 120.51 111.78 3ias n ALA 704 Ca 0.04 -2.53 -0.13 0.00 0.00 0.00 0.00 53.44 50.82 3ias n ALA 704 Cb 0.25 -3.46 -0.11 0.00 0.00 0.00 0.00 19.45 16.13 3ias n ALA 704 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3ias s VAL 705 N 5.49 0.55 0.00 0.00 1.01 -1.26 -4.58 120.40 121.61 3ias s VAL 705 Ca 0.52 -1.07 0.00 0.00 0.00 0.00 0.00 61.98 61.43 3ias s VAL 705 Cb 0.12 -0.61 0.00 0.00 0.00 0.00 0.00 36.38 35.89 3ias s VAL 705 CO 0.16 -0.37 0.00 0.61 0.00 0.00 0.00 175.10 175.50 3ias n GLY 706 N 1.48 2.15 0.09 4.51 0.00 -1.26 -1.53 105.19 110.63 3ias n GLY 706 Ca -0.23 0.32 -0.04 0.00 0.00 0.00 0.00 46.02 46.07 3ias n GLY 706 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ias h LYS 707 N 0.00 0.00 0.00 1.61 1.79 -1.93 -3.19 116.57 114.85 3ias h LYS 707 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 3ias h LYS 707 Cb 0.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 3ias h LYS 707 CO 0.00 0.63 0.00 0.00 -1.08 0.00 0.00 179.45 179.00 3ias n ALA 708 N -2.39 2.16 -0.34 3.86 0.00 -0.58 -4.05 120.51 119.16 3ias n ALA 708 Ca -0.06 -0.10 0.23 0.00 0.00 0.00 0.00 53.44 53.52 3ias n ALA 708 Cb 0.91 -1.40 0.47 0.00 0.00 0.00 0.00 19.45 19.44 3ias n ALA 708 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 3ias h GLN 709 N 0.00 0.36 0.07 0.00 4.15 -1.48 -2.29 115.11 115.92 3ias h GLN 709 Ca 0.00 -0.02 -0.33 0.00 0.77 0.00 0.00 58.65 59.07 3ias h GLN 709 Cb 0.35 -0.08 -0.03 0.00 0.21 0.00 0.00 27.48 27.93 3ias h GLN 709 CO 0.00 0.24 -1.79 0.39 -1.93 0.00 0.00 178.83 175.74 3ias n GLU 710 N -4.96 0.68 0.00 1.69 -0.58 -1.26 -4.12 120.64 112.09 3ias n GLU 710 Ca 0.31 0.37 0.05 0.00 -0.42 0.00 0.00 57.16 57.46 3ias n GLU 710 Cb 0.95 -1.70 0.28 0.00 -0.57 0.00 0.00 31.44 30.40 3ias n GLU 710 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3ias n ALA 711 N -3.22 1.80 -0.01 0.62 0.00 -0.91 -1.69 120.51 117.10 3ias n ALA 711 Ca -0.34 -0.06 0.01 0.00 0.00 0.00 0.00 53.44 53.05 3ias n ALA 711 Cb 0.91 -1.16 0.02 0.00 0.00 0.00 0.00 19.45 19.22 3ias n ALA 711 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ias n ALA 712 N -1.07 2.12 -2.07 0.00 0.00 -0.92 -4.88 120.51 113.69 3ias n ALA 712 Ca 0.07 -0.93 -0.41 0.00 0.00 0.00 0.00 53.44 52.17 3ias n ALA 712 Cb 0.04 -0.07 -0.04 0.00 0.00 0.00 0.00 19.45 19.38 3ias n ALA 712 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 3ias s ARG 713 N -0.84 4.67 0.78 0.00 3.52 -0.68 -4.75 118.95 121.66 3ias s ARG 713 Ca 0.04 1.60 -0.14 0.00 -0.13 0.00 0.00 55.73 57.09 3ias s ARG 713 Cb 0.02 -3.31 0.06 0.00 -1.56 0.00 0.00 34.95 30.16 3ias s ARG 713 CO 0.03 0.20 1.15 0.00 -0.81 0.00 0.00 175.30 175.87 3ias n ALA 714 N 2.31 -0.01 -2.47 6.12 0.00 -1.26 -4.87 120.51 120.33 3ias n ALA 714 Ca 0.02 -0.28 -0.22 0.00 0.00 0.00 0.00 53.44 52.95 3ias n ALA 714 Cb 0.47 -2.22 -0.11 0.00 0.00 0.00 0.00 19.45 17.59 3ias n ALA 714 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 3ias s GLU 715 N -3.91 1.69 -0.20 0.00 4.04 -1.26 -1.78 118.70 117.28 3ias s GLU 715 Ca 0.74 -1.94 -0.04 0.00 0.04 0.00 0.00 54.97 53.77 3ias s GLU 715 Cb -0.31 -0.97 0.10 0.00 0.02 0.00 0.00 34.13 32.97 3ias s GLU 715 CO 0.50 -0.16 0.27 -1.17 -1.84 0.00 0.00 175.26 172.86 3ias s LEU 716 N -3.51 -0.27 0.23 1.83 0.20 0.63 -1.82 118.68 115.97 3ias s LEU 716 Ca 0.36 0.06 0.06 0.00 0.69 0.00 0.00 54.13 55.30 3ias s LEU 716 Cb 0.09 0.63 -0.04 0.00 -0.43 0.00 0.00 46.19 46.44 3ias s LEU 716 CO 0.16 -0.30 0.22 0.26 -0.29 0.00 0.00 176.35 176.39 3ias s TRP 717 N 2.40 3.20 -0.15 5.38 0.51 -0.05 0.35 118.94 130.58 3ias s TRP 717 Ca 0.07 -0.07 -0.33 0.00 -2.12 0.00 0.00 56.10 53.66 3ias s TRP 717 Cb -0.15 -1.46 0.13 0.00 -0.81 0.00 0.00 33.47 31.18 3ias s TRP 717 CO -0.12 0.51 1.12 0.00 -0.51 0.00 0.00 176.95 177.94 3ias s ALA 718 N -2.02 -2.00 -0.00 0.98 0.00 -1.04 -1.83 121.76 115.85 3ias s ALA 718 Ca 0.33 1.48 -0.30 0.00 0.00 0.00 0.00 51.96 53.47 3ias s ALA 718 Cb -0.09 -0.17 -0.05 0.00 0.00 0.00 0.00 23.12 22.82 3ias s ALA 718 CO 0.26 -0.56 1.30 -1.58 0.00 0.00 0.00 175.76 175.18 3ias s HIS 719 N -2.33 3.08 0.47 0.00 2.46 -1.25 -1.44 115.29 116.28 3ias s HIS 719 Ca 0.07 1.04 0.36 0.00 0.47 0.00 0.00 55.06 57.00 3ias s HIS 719 Cb -0.01 -3.54 1.54 0.00 -0.13 0.00 0.00 32.58 30.44 3ias s HIS 719 CO -0.05 -1.86 1.58 -1.35 -2.47 0.00 0.00 174.74 170.59 3ias h PRO 720 N 7.48 0.01 0.18 2.88 0.11 -1.93 0.82 132.00 141.56 3ias h PRO 720 Ca -0.37 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.73 3ias h PRO 720 Cb 1.18 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3ias h PRO 720 CO 0.88 0.01 -0.09 0.93 -0.21 0.00 0.00 178.00 179.52 3ias h GLU 721 N 0.01 -0.23 0.00 1.05 5.08 -1.98 -1.99 114.58 116.51 3ias h GLU 721 Ca 0.89 0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 59.26 3ias h GLU 721 Cb 3.00 0.05 -0.00 0.00 0.50 0.00 0.00 28.75 32.30 3ias h GLU 721 CO -0.38 -0.15 -0.04 1.79 -1.00 0.00 0.00 179.01 179.23 3ias h THR 722 N -0.28 0.23 0.00 1.13 1.35 -0.80 0.61 112.91 115.15 3ias h THR 722 Ca -0.02 -0.29 -0.00 0.00 -0.55 0.00 0.00 66.41 65.54 3ias h THR 722 Cb 0.18 1.23 0.00 0.00 -1.73 0.00 0.00 68.15 67.84 3ias h THR 722 CO 0.04 0.04 -0.00 0.00 -0.25 0.00 0.00 175.52 175.35 3ias h ALA 723 N 1.96 -0.00 -0.00 6.62 0.00 0.43 -2.76 119.26 125.51 3ias h ALA 723 Ca -0.00 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3ias h ALA 723 Cb 0.23 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3ias h ALA 723 CO 0.01 -0.33 -0.30 -2.13 0.00 0.00 0.00 179.25 176.49 3ias n ARG 724 N -4.93 0.36 0.17 0.00 0.63 -0.75 -2.21 116.66 109.93 3ias n ARG 724 Ca -0.08 -0.18 0.12 0.00 -0.92 0.00 0.00 57.85 56.78 3ias n ARG 724 Cb 0.18 -1.50 0.11 0.00 0.45 0.00 0.00 32.46 31.71 3ias n ARG 724 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3ias h ALA 725 N 3.31 0.80 -0.43 5.13 0.00 -0.85 -3.05 119.26 124.16 3ias h ALA 725 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 3ias h ALA 725 Cb 0.48 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.23 3ias h ALA 725 CO 0.00 0.00 0.05 -1.91 0.00 0.00 0.00 179.25 177.39 3ias n GLU 726 N -2.91 3.38 -3.12 0.00 2.13 -1.05 -5.00 120.64 114.08 3ias n GLU 726 Ca 0.02 -3.00 -0.04 0.00 0.66 0.00 0.00 57.16 54.80 3ias n GLU 726 Cb 0.53 -2.01 0.02 0.00 0.27 0.00 0.00 31.44 30.25 3ias n GLU 726 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3ias n ALA 727 N -0.28 -2.50 -3.57 4.31 0.00 -1.15 -5.03 120.51 112.28 3ias n ALA 727 Ca 0.28 0.02 -0.29 0.00 0.00 0.00 0.00 53.44 53.45 3ias n ALA 727 Cb 1.07 -2.45 -0.15 0.00 0.00 0.00 0.00 19.45 17.93 3ias n ALA 727 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3ias s LEU 728 N -4.35 0.98 0.95 0.00 1.43 -0.94 -5.00 118.68 111.75 3ias s LEU 728 Ca 0.11 -1.52 -0.13 0.00 -1.03 0.00 0.00 54.13 51.55 3ias s LEU 728 Cb -0.01 -0.47 0.04 0.00 0.03 0.00 0.00 46.19 45.77 3ias s LEU 728 CO 0.75 -0.41 0.39 -2.65 0.23 0.00 0.00 176.35 174.66 3ias n PRO 729 N 4.95 -0.31 0.08 1.29 -0.02 -1.26 -4.35 135.00 135.37 3ias n PRO 729 Ca -0.02 -0.05 0.10 0.00 -2.02 0.00 0.00 63.50 61.50 3ias n PRO 729 Cb 0.41 -1.85 0.41 0.00 -0.02 0.00 0.00 33.50 32.46 3ias n PRO 729 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 3ias n GLU 730 N -1.67 0.11 -2.70 -0.52 2.13 -1.26 -3.61 120.64 113.12 3ias n GLU 730 Ca 0.06 0.36 -0.07 0.00 0.66 0.00 0.00 57.16 58.18 3ias n GLU 730 Cb 0.54 -1.72 0.05 0.00 0.27 0.00 0.00 31.44 30.57 3ias n GLU 730 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3ias n GLY 731 N -0.05 1.57 3.81 8.31 0.00 -1.26 -4.52 105.19 113.05 3ias n GLY 731 Ca 0.03 -1.09 -0.33 0.00 0.00 0.00 0.00 46.02 44.62 3ias n GLY 731 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ias s ALA 732 N -2.83 3.68 -0.45 4.61 0.00 -1.24 -4.91 121.76 120.62 3ias s ALA 732 Ca 0.26 -0.83 -0.23 0.00 0.00 0.00 0.00 51.96 51.16 3ias s ALA 732 Cb 0.42 -1.67 0.03 0.00 0.00 0.00 0.00 23.12 21.90 3ias s ALA 732 CO 0.00 0.69 0.79 -0.65 0.00 0.00 0.00 175.76 176.59 3ias s GLN 733 N -1.68 3.40 0.15 0.00 -1.52 -1.26 -2.30 119.66 116.45 3ias s GLN 733 Ca 0.23 -0.11 0.09 0.00 -1.95 0.00 0.00 55.36 53.61 3ias s GLN 733 Cb -0.12 -3.94 -0.04 0.00 -0.22 0.00 0.00 33.01 28.69 3ias s GLN 733 CO 0.14 -1.12 -0.12 0.08 -0.25 0.00 0.00 175.29 174.01 3ias s VAL 734 N 3.30 3.12 -0.19 1.09 1.01 -0.66 -4.94 120.40 123.13 3ias s VAL 734 Ca 0.30 -1.54 -0.08 0.00 0.00 0.00 0.00 61.98 60.66 3ias s VAL 734 Cb -0.12 -2.49 -0.04 0.00 0.00 0.00 0.00 36.38 33.72 3ias s VAL 734 CO 0.23 -0.00 0.08 0.00 0.00 0.00 0.00 175.10 175.40 3ias s ALA 735 N -1.44 3.47 0.06 5.51 0.00 -1.26 -0.35 121.76 127.74 3ias s ALA 735 Ca 0.22 -0.74 0.06 0.00 0.00 0.00 0.00 51.96 51.50 3ias s ALA 735 Cb -0.10 -1.98 -0.03 0.00 0.00 0.00 0.00 23.12 21.02 3ias s ALA 735 CO 0.13 0.17 -0.16 0.08 0.00 0.00 0.00 175.76 175.98 3ias s VAL 736 N 0.38 1.26 -0.11 0.00 1.01 -0.51 -1.94 120.40 120.48 3ias s VAL 736 Ca 0.04 -1.22 0.02 0.00 0.00 0.00 0.00 61.98 60.82 3ias s VAL 736 Cb -0.12 -1.16 0.01 0.00 0.00 0.00 0.00 36.38 35.12 3ias s VAL 736 CO -0.00 -0.07 -0.16 -0.70 0.00 0.00 0.00 175.10 174.17 3ias s GLU 737 N -1.48 2.31 0.34 2.72 2.12 -0.36 -1.09 118.70 123.25 3ias s GLU 737 Ca 0.02 -0.59 0.08 0.00 0.36 0.00 0.00 54.97 54.83 3ias s GLU 737 Cb -0.09 -1.96 -0.07 0.00 0.26 0.00 0.00 34.13 32.27 3ias s GLU 737 CO 0.02 -0.07 -0.06 0.99 -0.54 0.00 0.00 175.26 175.60 3ias s THR 738 N 1.01 1.99 -0.97 -1.70 2.01 -0.64 -2.46 115.64 114.88 3ias s THR 738 Ca -0.06 -2.14 0.00 0.00 0.31 0.00 0.00 61.69 59.81 3ias s THR 738 Cb -0.15 -2.67 0.00 0.00 0.01 0.00 0.00 72.50 69.69 3ias s THR 738 CO -0.02 -0.18 0.90 -2.65 -0.69 0.00 0.00 174.62 171.98 3ias n PRO 739 N -0.77 0.00 0.00 4.92 -0.02 -1.26 -0.98 135.00 136.89 3ias n PRO 739 Ca -0.05 0.41 0.10 0.00 -2.02 0.00 0.00 63.50 61.94 3ias n PRO 739 Cb 0.64 -1.55 0.03 0.00 -0.02 0.00 0.00 33.50 32.61 3ias n PRO 739 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 3ias n PHE 740 N -1.40 0.00 0.00 6.00 3.72 -1.26 -3.81 117.46 120.70 3ias n PHE 740 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 3ias n PHE 740 Cb 0.05 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.59 3ias n PHE 740 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3ias n GLY 741 N 1.28 2.90 3.65 1.37 0.00 -0.16 -4.79 105.19 109.45 3ias n GLY 741 Ca 0.10 -1.86 -0.39 0.00 0.00 0.00 0.00 46.02 43.87 3ias n GLY 741 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3ias s ARG 742 N -1.93 4.15 -0.01 1.61 3.52 -1.26 -1.62 118.95 123.42 3ias s ARG 742 Ca 0.00 0.33 0.02 0.00 -0.13 0.00 0.00 55.73 55.95 3ias s ARG 742 Cb 0.00 -3.58 -0.00 0.00 -1.56 0.00 0.00 34.95 29.81 3ias s ARG 742 CO 0.00 -0.17 -0.06 0.08 -0.81 0.00 0.00 175.30 174.34 3ias s VAL 743 N 1.73 0.48 -0.05 7.11 1.01 -0.25 -4.97 120.40 125.46 3ias s VAL 743 Ca 0.22 -0.26 -0.18 0.00 0.00 0.00 0.00 61.98 61.77 3ias s VAL 743 Cb -0.15 -0.41 -0.05 0.00 0.00 0.00 0.00 36.38 35.77 3ias s VAL 743 CO 0.09 0.14 0.48 -1.83 0.00 0.00 0.00 175.10 173.98 3ias s GLU 744 N -0.12 4.21 0.02 2.72 1.03 -1.26 -1.43 118.70 123.86 3ias s GLU 744 Ca 0.02 0.51 -0.01 0.00 0.03 0.00 0.00 54.97 55.52 3ias s GLU 744 Cb -0.03 -3.34 -0.02 0.00 -0.80 0.00 0.00 34.13 29.95 3ias s GLU 744 CO -0.00 0.39 -0.01 0.00 -1.33 0.00 0.00 175.26 174.31 3ias s ALA 745 N -0.15 0.07 0.81 -0.84 0.00 0.52 -4.39 121.76 117.77 3ias s ALA 745 Ca 0.26 -0.53 -0.12 0.00 0.00 0.00 0.00 51.96 51.57 3ias s ALA 745 Cb -0.16 0.14 0.08 0.00 0.00 0.00 0.00 23.12 23.18 3ias s ALA 745 CO 0.13 -0.17 1.15 -0.98 0.00 0.00 0.00 175.76 175.90 3ias s ARG 746 N -1.45 1.77 -0.11 0.00 1.70 -0.74 -1.66 118.95 118.47 3ias s ARG 746 Ca -0.16 1.52 0.03 0.00 -0.47 0.00 0.00 55.73 56.65 3ias s ARG 746 Cb -0.10 -1.81 0.01 0.00 -0.57 0.00 0.00 34.95 32.48 3ias s ARG 746 CO -0.01 -2.07 -0.21 0.54 -1.08 0.00 0.00 175.30 172.47 3ias s VAL 747 N -2.48 1.92 -0.02 4.99 0.11 -0.97 -0.27 120.40 123.68 3ias s VAL 747 Ca 0.68 -0.92 0.04 0.00 -2.93 0.00 0.00 61.98 58.85 3ias s VAL 747 Cb -0.23 -1.69 -0.01 0.00 -1.53 0.00 0.00 36.38 32.92 3ias s VAL 747 CO 0.52 0.53 -0.15 -0.69 -3.33 0.00 0.00 175.10 171.98 3ias s VAL 748 N 0.58 1.20 0.06 2.04 1.01 0.16 -4.05 120.40 121.40 3ias s VAL 748 Ca -0.14 -0.63 -0.23 0.00 0.00 0.00 0.00 61.98 60.99 3ias s VAL 748 Cb -0.17 -1.02 -0.06 0.00 0.00 0.00 0.00 36.38 35.13 3ias s VAL 748 CO 0.04 0.35 0.68 -1.00 0.00 0.00 0.00 175.10 175.17 3ias s HIS 749 N -0.19 3.77 -0.19 5.22 3.76 -1.26 -2.49 115.29 123.91 3ias s HIS 749 Ca 0.02 1.39 -0.04 0.00 -0.15 0.00 0.00 55.06 56.28 3ias s HIS 749 Cb -0.08 -2.68 0.10 0.00 1.11 0.00 0.00 32.58 31.03 3ias s HIS 749 CO 0.00 0.41 0.32 1.03 -0.85 0.00 0.00 174.74 175.66 3ias s ARG 750 N -0.54 0.26 0.00 1.40 0.52 -0.52 -4.91 118.95 115.15 3ias s ARG 750 Ca 0.34 0.63 0.12 0.00 -0.52 0.00 0.00 55.73 56.30 3ias s ARG 750 Cb -0.20 -0.33 0.64 0.00 0.52 0.00 0.00 34.95 35.57 3ias s ARG 750 CO 0.21 -0.47 1.23 0.39 0.02 0.00 0.00 175.30 176.69 3ias n GLU 751 N 5.36 0.24 0.00 3.54 1.02 -1.26 -1.74 120.64 127.80 3ias n GLU 751 Ca -0.06 0.11 0.11 0.00 -0.02 0.00 0.00 57.16 57.30 3ias n GLU 751 Cb 0.50 -1.50 -0.05 0.00 -0.02 0.00 0.00 31.44 30.37 3ias n GLU 751 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 3ias n ASP 752 N -1.18 1.32 -4.60 1.62 5.75 -1.26 -4.88 116.55 113.32 3ias n ASP 752 Ca 0.07 -1.14 -0.43 0.00 -0.01 0.00 0.00 54.79 53.29 3ias n ASP 752 Cb 0.07 0.77 -0.04 0.00 -1.03 0.00 0.00 41.12 40.89 3ias n ASP 752 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 3ias s VAL 753 N -2.81 4.61 0.19 2.12 1.01 -0.71 -4.58 120.40 120.23 3ias s VAL 753 Ca 0.12 1.16 -0.29 0.00 0.00 0.00 0.00 61.98 62.97 3ias s VAL 753 Cb 0.17 -4.31 -0.17 0.00 0.00 0.00 0.00 36.38 32.07 3ias s VAL 753 CO 0.75 -0.52 0.68 -0.81 0.00 0.00 0.00 175.10 175.21 3ias n PRO 754 N 6.72 0.28 -1.68 2.72 -0.04 -1.26 -3.95 135.00 137.78 3ias n PRO 754 Ca 0.07 0.10 -0.46 0.00 -0.04 0.00 0.00 63.50 63.16 3ias n PRO 754 Cb 0.48 -1.23 -0.04 0.00 -0.04 0.00 0.00 33.50 32.67 3ias n PRO 754 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 3ias n LYS 755 N 1.04 2.31 -0.70 0.54 3.00 -1.26 -3.08 118.16 120.01 3ias n LYS 755 Ca 0.17 0.84 0.00 0.00 -0.00 0.00 0.00 58.31 59.32 3ias n LYS 755 Cb 0.25 -2.68 0.00 0.00 0.00 0.00 0.00 35.03 32.60 3ias n LYS 755 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3ias n GLY 756 N 4.07 0.89 3.95 3.14 0.00 -1.26 -5.04 105.19 110.93 3ias n GLY 756 Ca 0.20 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.01 3ias n GLY 756 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3ias s HIS 757 N -3.42 3.40 -0.13 1.61 3.76 -1.18 -5.05 115.29 114.28 3ias s HIS 757 Ca 0.00 -0.03 0.02 0.00 -0.15 0.00 0.00 55.06 54.90 3ias s HIS 757 Cb 0.00 -1.55 0.01 0.00 1.11 0.00 0.00 32.58 32.16 3ias s HIS 757 CO 0.00 0.46 -0.19 -0.51 -0.85 0.00 0.00 174.74 173.65 3ias s LEU 758 N -3.92 1.94 -0.33 0.89 1.02 -1.23 -4.59 118.68 112.45 3ias s LEU 758 Ca 0.34 -0.54 -0.20 0.00 0.02 0.00 0.00 54.13 53.75 3ias s LEU 758 Cb -0.09 -1.30 -0.00 0.00 0.02 0.00 0.00 46.19 44.81 3ias s LEU 758 CO 0.28 0.04 0.61 -0.31 0.02 0.00 0.00 176.35 176.99 3ias s TYR 759 N 0.98 3.18 -0.14 0.29 4.12 -0.76 -1.12 117.35 123.91 3ias s TYR 759 Ca -0.05 0.42 -0.06 0.00 0.02 0.00 0.00 57.07 57.40 3ias s TYR 759 Cb -0.15 -3.03 -0.04 0.00 -1.52 0.00 0.00 41.96 37.22 3ias s TYR 759 CO -0.04 -0.54 0.09 -1.17 0.02 0.00 0.00 175.55 173.91 3ias s LEU 760 N 2.61 4.06 -0.49 -1.29 2.96 0.04 -0.87 118.68 125.70 3ias s LEU 760 Ca 0.24 0.28 -0.28 0.00 -0.22 0.00 0.00 54.13 54.15 3ias s LEU 760 Cb -0.15 -2.00 -0.09 0.00 0.50 0.00 0.00 46.19 44.46 3ias s LEU 760 CO 0.13 0.32 2.40 -0.24 -1.32 0.00 0.00 176.35 177.64 3ias n SER 761 N 2.60 2.23 -3.58 3.68 2.88 -0.75 0.80 113.62 121.47 3ias n SER 761 Ca -0.18 -0.24 -0.41 0.00 -1.33 0.00 0.00 58.87 56.71 3ias n SER 761 Cb 0.54 -1.48 -0.01 0.00 -0.75 0.00 0.00 64.21 62.51 3ias n SER 761 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3ias n ALA 762 N 14.14 6.31 0.16 -1.46 0.00 -0.51 -4.74 120.51 134.41 3ias n ALA 762 Ca 0.40 -3.82 0.10 0.00 0.00 0.00 0.00 53.44 50.12 3ias n ALA 762 Cb 0.45 -3.37 0.54 0.00 0.00 0.00 0.00 19.45 17.06 3ias n ALA 762 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3ias n LEU 763 N 4.71 0.51 0.00 0.00 4.77 -1.26 -4.18 117.00 121.55 3ias n LEU 763 Ca 0.61 0.72 0.00 0.00 -0.03 0.00 0.00 56.01 57.31 3ias n LEU 763 Cb 0.32 -0.78 0.00 0.00 -2.33 0.00 0.00 43.42 40.64 3ias n LEU 763 CO 0.86 -0.90 0.00 0.61 -1.33 0.00 0.00 177.39 176.63 3ias n GLY 764 N -1.30 0.56 0.89 -0.72 0.00 -1.26 -1.58 105.19 101.78 3ias n GLY 764 Ca -0.01 -1.67 0.08 0.00 0.00 0.00 0.00 46.02 44.42 3ias n GLY 764 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3ias n PRO 765 N 0.00 2.99 -0.92 1.61 -0.04 -1.26 -4.31 135.00 133.07 3ias n PRO 765 Ca 0.00 -2.72 0.06 0.00 -0.04 0.00 0.00 63.50 60.80 3ias n PRO 765 Cb 0.00 -1.76 0.40 0.00 -0.04 0.00 0.00 33.50 32.10 3ias n PRO 765 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3ias n ALA 766 N -0.28 3.99 -1.41 0.55 0.00 -1.26 -4.60 120.51 117.50 3ias n ALA 766 Ca 0.20 -1.98 -0.31 0.00 0.00 0.00 0.00 53.44 51.35 3ias n ALA 766 Cb 0.82 -1.14 0.07 0.00 0.00 0.00 0.00 19.45 19.20 3ias n ALA 766 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ias s ALA 767 N -2.80 2.45 0.00 0.00 0.00 -1.26 -3.80 121.76 116.34 3ias s ALA 767 Ca 0.55 0.17 0.00 0.00 0.00 0.00 0.00 51.96 52.68 3ias s ALA 767 Cb 0.42 -3.22 0.00 0.00 0.00 0.00 0.00 23.12 20.32 3ias s ALA 767 CO 0.16 -1.51 0.00 0.41 0.00 0.00 0.00 175.76 174.81 3ias n GLY 768 N -1.60 0.43 3.55 0.00 0.00 -0.71 -4.91 105.19 101.95 3ias n GLY 768 Ca 0.08 -0.74 -0.32 0.00 0.00 0.00 0.00 46.02 45.04 3ias n GLY 768 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ias s LEU 769 N 0.00 3.01 -0.20 0.99 1.43 -1.25 -4.20 118.68 118.47 3ias s LEU 769 Ca 0.00 -0.20 -0.10 0.00 -1.03 0.00 0.00 54.13 52.80 3ias s LEU 769 Cb 0.00 -1.72 -0.05 0.00 0.03 0.00 0.00 46.19 44.45 3ias s LEU 769 CO 0.00 0.29 0.13 -0.13 0.23 0.00 0.00 176.35 176.86 3ias s ARG 770 N -1.33 4.16 0.06 1.70 0.52 -1.26 -0.45 118.95 122.35 3ias s ARG 770 Ca 0.16 -0.24 0.00 0.00 -0.52 0.00 0.00 55.73 55.14 3ias s ARG 770 Cb -0.11 -3.41 -0.03 0.00 0.52 0.00 0.00 34.95 31.92 3ias s ARG 770 CO 0.06 0.28 -0.05 0.08 0.02 0.00 0.00 175.30 175.69 3ias s VAL 771 N 0.41 0.38 0.93 3.52 1.01 0.32 -4.01 120.40 122.96 3ias s VAL 771 Ca 0.07 -1.57 -0.13 0.00 0.00 0.00 0.00 61.98 60.36 3ias s VAL 771 Cb -0.11 -1.19 0.15 0.00 0.00 0.00 0.00 36.38 35.22 3ias s VAL 771 CO -0.01 -0.78 1.14 -1.61 0.00 0.00 0.00 175.10 173.83 3ias s GLU 772 N -3.09 1.00 0.00 2.72 0.41 -1.23 -0.59 118.70 117.92 3ias s GLU 772 Ca 0.02 0.27 0.00 0.00 -0.41 0.00 0.00 54.97 54.85 3ias s GLU 772 Cb 0.01 -1.82 0.00 0.00 -1.78 0.00 0.00 34.13 30.54 3ias s GLU 772 CO -0.05 -2.29 0.00 0.41 -0.49 0.00 0.00 175.26 172.83 3ias n GLY 773 N -2.14 0.28 3.78 -1.39 0.00 -1.26 -4.36 105.19 100.09 3ias n GLY 773 Ca 0.07 -1.78 -0.03 0.00 0.00 0.00 0.00 46.02 44.27 3ias n GLY 773 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3ias s ARG 774 N -1.58 1.25 -0.58 1.61 3.03 -1.03 -4.94 118.95 116.70 3ias s ARG 774 Ca 0.00 -0.72 -0.22 0.00 2.03 0.00 0.00 55.73 56.83 3ias s ARG 774 Cb 0.00 0.41 0.06 0.00 -1.03 0.00 0.00 34.95 34.39 3ias s ARG 774 CO 0.00 -0.57 0.83 0.08 -1.13 0.00 0.00 175.30 174.51 3ias s VAL 775 N -3.07 4.56 0.55 4.99 1.01 -1.26 -1.23 120.40 125.95 3ias s VAL 775 Ca 0.14 -0.32 -0.20 0.00 0.00 0.00 0.00 61.98 61.60 3ias s VAL 775 Cb -0.02 -4.52 -0.05 0.00 0.00 0.00 0.00 36.38 31.79 3ias s VAL 775 CO 0.03 -1.15 1.16 -1.48 0.00 0.00 0.00 175.10 173.66 3ias s LEU 776 N 3.46 3.75 0.00 3.92 2.34 -0.82 -5.00 118.68 126.34 3ias s LEU 776 Ca 0.21 2.26 0.00 0.00 0.06 0.00 0.00 54.13 56.66 3ias s LEU 776 Cb -0.17 -4.55 0.00 0.00 -0.56 0.00 0.00 46.19 40.91 3ias s LEU 776 CO 0.12 -1.30 0.36 0.52 -1.06 0.00 0.00 176.35 175.00