#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 2.62 -0.36 2.03 1.01 -0.28 -4.88 120.40 120.54 3ias s VAL 2 Ca 0.00 -1.33 -0.21 0.00 0.00 0.00 0.00 61.98 60.45 3ias s VAL 2 Cb 0.00 -2.11 0.00 0.00 0.00 0.00 0.00 36.38 34.28 3ias s VAL 2 CO 0.00 0.29 0.65 -0.60 0.00 0.00 0.00 175.10 175.44 3ias s ARG 3 N -1.55 3.66 -0.08 2.72 6.06 -1.26 -2.04 118.95 126.45 3ias s ARG 3 Ca 0.14 0.05 0.00 0.00 -2.50 0.00 0.00 55.73 53.43 3ias s ARG 3 Cb -0.10 -3.82 0.02 0.00 0.06 0.00 0.00 34.95 31.11 3ias s ARG 3 CO 0.05 -0.77 -0.06 0.08 -2.50 0.00 0.00 175.30 172.11 3ias s VAL 4 N 2.77 0.76 -0.28 7.11 1.01 -0.16 0.25 120.40 131.85 3ias s VAL 4 Ca 0.25 -0.18 -0.14 0.00 0.00 0.00 0.00 61.98 61.92 3ias s VAL 4 Cb -0.14 -0.80 -0.04 0.00 0.00 0.00 0.00 36.38 35.40 3ias s VAL 4 CO 0.15 0.30 0.32 -0.75 0.00 0.00 0.00 175.10 175.13 3ias s LYS 5 N 1.40 3.93 0.00 2.72 2.20 -0.30 0.43 119.74 130.12 3ias s LYS 5 Ca -0.02 -0.13 0.00 0.00 -0.36 0.00 0.00 55.97 55.46 3ias s LYS 5 Cb -0.13 -3.68 0.00 0.00 -1.51 0.00 0.00 37.83 32.51 3ias s LYS 5 CO -0.03 -0.28 0.02 0.28 -0.36 0.00 0.00 175.35 174.98 3ias n VAL 6 N 5.12 0.00 0.00 4.02 0.31 0.42 -1.46 118.33 126.74 3ias n VAL 6 Ca -0.10 0.11 -0.03 0.00 -0.01 0.00 0.00 64.34 64.31 3ias n VAL 6 Cb 0.51 -0.29 -0.01 0.00 -0.91 0.00 0.00 33.84 33.14 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 -0.14 1.28 0.00 4.52 3.02 -1.26 -2.71 115.26 119.97 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 -0.45 0.00 0.00 -0.61 0.00 0.00 39.78 38.72 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 0.30 -4.84 6.41 5.68 -1.26 -5.00 116.55 114.12 3ias n ASP 8 Ca -0.04 -0.65 -0.34 0.00 -0.50 0.00 0.00 54.79 53.25 3ias n ASP 8 Cb 0.16 0.30 -0.06 0.00 -1.14 0.00 0.00 41.12 40.38 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 -0.30 3.29 -0.08 0.11 3.52 -1.26 -5.10 118.95 119.13 3ias s ARG 9 Ca 0.00 -0.33 0.01 0.00 -0.13 0.00 0.00 55.73 55.28 3ias s ARG 9 Cb 0.00 -3.03 -0.03 0.00 -1.56 0.00 0.00 34.95 30.34 3ias s ARG 9 CO 0.00 0.70 -0.09 0.42 -0.81 0.00 0.00 175.30 175.52 3ias s ILE 10 N -1.18 3.49 -0.02 4.11 1.01 -1.26 -0.44 121.20 126.92 3ias s ILE 10 Ca 0.22 -0.55 -0.01 0.00 0.00 0.00 0.00 60.65 60.31 3ias s ILE 10 Cb -0.12 -2.43 0.01 0.00 0.01 0.00 0.00 42.46 39.92 3ias s ILE 10 CO 0.12 0.57 0.04 -0.69 0.00 0.00 0.00 174.94 174.99 3ias s VAL 11 N -0.48 -0.01 0.50 2.92 1.01 0.17 -4.97 120.40 119.55 3ias s VAL 11 Ca 0.07 0.02 -0.19 0.00 0.00 0.00 0.00 61.98 61.88 3ias s VAL 11 Cb -0.12 -0.07 -0.08 0.00 0.00 0.00 0.00 36.38 36.12 3ias s VAL 11 CO 0.02 0.01 1.03 -1.61 0.00 0.00 0.00 175.10 174.54 3ias s GLU 12 N 0.12 3.77 -0.29 2.72 0.41 -1.25 -0.99 118.70 123.19 3ias s GLU 12 Ca -0.01 1.26 -0.18 0.00 -0.41 0.00 0.00 54.97 55.63 3ias s GLU 12 Cb -0.01 -2.10 0.18 0.00 -1.78 0.00 0.00 34.13 30.42 3ias s GLU 12 CO -0.00 -0.45 1.16 0.54 -0.49 0.00 0.00 175.26 176.02 3ias s VAL 13 N -2.17 0.00 0.94 2.63 0.11 -0.87 -4.91 120.40 116.13 3ias s VAL 13 Ca 0.65 0.00 -0.16 0.00 -2.93 0.00 0.00 61.98 59.54 3ias s VAL 13 Cb -0.15 -1.00 -0.08 0.00 -1.53 0.00 0.00 36.38 33.62 3ias s VAL 13 CO 0.24 0.00 -0.28 -0.81 -3.33 0.00 0.00 175.10 170.92 3ias n PRO 14 N 3.08 -0.08 -0.07 1.54 -0.04 -1.26 -1.12 135.00 137.05 3ias n PRO 14 Ca -0.17 -0.01 -0.10 0.00 -0.04 0.00 0.00 63.50 63.19 3ias n PRO 14 Cb 0.57 -1.34 -0.03 0.00 -0.04 0.00 0.00 33.50 32.66 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 -1.10 0.34 -1.46 0.54 0.13 -1.93 -3.18 132.00 125.33 3ias h PRO 15 Ca -0.44 -0.04 -0.45 0.00 -0.87 0.00 0.00 66.00 64.20 3ias h PRO 15 Cb 1.30 -0.07 -0.19 0.00 0.13 0.00 0.00 31.00 32.18 3ias h PRO 15 CO 0.29 0.30 0.56 0.41 -0.23 0.00 0.00 178.00 179.32 3ias n GLY 16 N -0.97 4.65 3.87 1.56 0.00 -1.26 -4.47 105.19 108.57 3ias n GLY 16 Ca -0.03 -1.56 -0.32 0.00 0.00 0.00 0.00 46.02 44.12 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 -3.05 4.91 0.06 2.61 2.01 -1.20 -4.48 115.64 116.51 3ias s THR 17 Ca 0.44 0.49 -0.30 0.00 0.31 0.00 0.00 61.69 62.63 3ias s THR 17 Cb 0.34 -3.63 -0.05 0.00 0.01 0.00 0.00 72.50 69.17 3ias s THR 17 CO -0.05 -0.10 1.06 -0.55 -0.69 0.00 0.00 174.62 174.29 3ias s SER 18 N -2.42 7.29 0.43 3.53 0.15 -1.26 -1.67 113.70 119.75 3ias s SER 18 Ca 0.48 1.85 0.21 0.00 0.70 0.00 0.00 55.95 59.19 3ias s SER 18 Cb -0.11 -2.58 1.17 0.00 -1.71 0.00 0.00 66.02 62.79 3ias s SER 18 CO 0.22 -0.28 1.80 0.58 1.20 0.00 0.00 173.24 176.75 3ias h VAL 19 N 4.44 0.55 0.20 4.45 2.07 -1.02 0.40 116.25 127.34 3ias h VAL 19 Ca -0.42 -0.11 -0.01 0.00 0.82 0.00 0.00 66.70 66.98 3ias h VAL 19 Cb 1.22 0.19 0.00 0.00 -1.52 0.00 0.00 31.29 31.17 3ias h VAL 19 CO 0.76 0.06 -0.11 -0.03 0.02 0.00 0.00 177.57 178.27 3ias h MET 20 N 0.33 -0.28 -0.63 1.57 1.85 0.55 -1.28 114.93 117.05 3ias h MET 20 Ca 0.55 0.02 0.18 0.00 -0.61 0.00 0.00 59.70 59.84 3ias h MET 20 Cb 1.52 0.06 -0.03 0.00 0.43 0.00 0.00 31.60 33.59 3ias h MET 20 CO -0.22 -0.18 0.55 -0.44 -0.40 0.00 0.00 176.91 176.21 3ias h ASP 21 N -0.29 0.00 0.31 1.39 5.19 -1.49 0.13 116.42 121.65 3ias h ASP 21 Ca -0.03 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.37 3ias h ASP 21 Cb 0.22 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.73 3ias h ASP 21 CO 0.04 0.00 -0.21 0.00 -3.12 0.00 0.00 179.24 175.95 3ias h ALA 22 N 1.49 -1.02 -0.66 3.45 0.00 0.10 0.04 119.26 122.66 3ias h ALA 22 Ca 0.30 -0.10 0.11 0.00 0.00 0.00 0.00 54.91 55.22 3ias h ALA 22 Cb 1.39 0.36 -0.12 0.00 0.00 0.00 0.00 17.79 19.42 3ias h ALA 22 CO -0.00 -1.01 -0.36 0.28 0.00 0.00 0.00 179.25 178.15 3ias h VAL 23 N -0.49 0.13 -0.53 0.00 2.07 0.40 -0.41 116.25 117.41 3ias h VAL 23 Ca -0.04 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.46 3ias h VAL 23 Cb 0.40 0.13 -0.03 0.00 -1.52 0.00 0.00 31.29 30.27 3ias h VAL 23 CO 0.02 0.00 0.26 -0.26 0.02 0.00 0.00 177.57 177.62 3ias h PHE 24 N -0.15 0.72 -0.65 1.57 0.04 -1.28 -1.04 116.94 116.15 3ias h PHE 24 Ca 0.24 -0.01 -0.08 0.00 2.80 0.00 0.00 57.97 60.91 3ias h PHE 24 Cb 0.56 -0.23 -0.03 0.00 2.20 0.00 0.00 35.95 38.45 3ias h PHE 24 CO -0.69 0.52 0.09 1.25 -0.60 0.00 0.00 178.31 178.88 3ias h HIS 25 N 0.74 1.16 0.00 -0.55 2.76 0.57 -0.38 115.15 119.44 3ias h HIS 25 Ca 0.19 -0.16 0.00 0.00 -2.20 0.00 0.00 60.37 58.19 3ias h HIS 25 Cb 0.06 -0.32 0.00 0.00 1.55 0.00 0.00 27.41 28.70 3ias h HIS 25 CO 0.01 0.98 0.00 0.00 -1.30 0.00 0.00 177.93 177.61 3ias h ALA 26 N 1.07 1.00 -0.50 5.26 0.00 -0.59 -3.43 119.26 122.07 3ias h ALA 26 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.11 3ias h ALA 26 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.25 3ias h ALA 26 CO 0.02 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.68 3ias n GLY 27 N -0.40 0.88 0.00 0.00 0.00 -0.15 -5.02 105.19 100.50 3ias n GLY 27 Ca -0.00 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.91 0.00 -3.61 1.61 4.02 -0.45 -5.01 117.16 112.83 3ias n TYR 28 Ca 0.00 0.00 -0.07 0.00 -0.01 0.00 0.00 57.90 57.82 3ias n TYR 28 Cb 0.21 0.00 -0.05 0.00 -0.02 0.00 0.00 39.34 39.48 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 0.46 -0.23 -0.14 7.72 -4.77 -1.26 -4.67 116.67 113.77 3ias s ASP 29 Ca 0.00 0.26 -0.29 0.00 -3.30 0.00 0.00 52.55 49.23 3ias s ASP 29 Cb 0.00 0.20 0.08 0.00 -1.09 0.00 0.00 42.92 42.12 3ias s ASP 29 CO 0.00 -0.21 0.77 0.54 0.70 0.00 0.00 175.17 176.97 3ias s VAL 30 N -1.03 0.00 0.07 2.11 0.11 -1.26 -5.00 120.40 115.40 3ias s VAL 30 Ca 0.03 0.00 -0.32 0.00 -2.93 0.00 0.00 61.98 58.76 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 -0.03 0.00 1.85 -2.65 -3.33 0.00 0.00 175.10 170.95 3ias n PRO 31 N 1.45 2.65 -3.89 1.54 -0.02 -1.26 -4.90 135.00 130.56 3ias n PRO 31 Ca -0.16 0.97 -0.30 0.00 -2.02 0.00 0.00 63.50 61.99 3ias n PRO 31 Cb 0.57 -2.86 -0.16 0.00 -0.02 0.00 0.00 33.50 31.03 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 3.18 2.32 0.00 2.45 1.98 -1.26 -1.40 118.68 125.95 3ias s LEU 32 Ca 0.85 -1.15 0.00 0.00 -2.89 0.00 0.00 54.13 50.94 3ias s LEU 32 Cb -0.53 -1.05 0.00 0.00 0.66 0.00 0.00 46.19 45.27 3ias s LEU 32 CO 0.41 -0.26 0.00 0.49 -1.89 0.00 0.00 176.35 175.09 3ias n PHE 33 N 4.75 0.00 -0.06 5.38 3.01 -1.26 -4.92 117.46 124.36 3ias n PHE 33 Ca -0.10 0.00 -0.05 0.00 1.01 0.00 0.00 57.45 58.31 3ias n PHE 33 Cb 0.44 0.01 -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 -4.55 4.52 -0.15 0.00 0.01 -1.26 -4.53 113.70 107.73 3ias s SER 35 Ca -0.07 1.92 -0.28 0.00 1.31 0.00 0.00 55.95 58.83 3ias s SER 35 Cb 0.05 -2.53 0.08 0.00 0.21 0.00 0.00 66.02 63.82 3ias s SER 35 CO 0.58 -2.03 0.74 -0.70 0.41 0.00 0.00 173.24 172.23 3ias s GLU 36 N -4.64 0.91 -0.27 12.44 2.56 -1.22 -5.05 118.70 123.43 3ias s GLU 36 Ca 0.64 0.55 -0.38 0.00 0.00 0.00 0.00 54.97 55.77 3ias s GLU 36 Cb -0.19 0.44 -0.14 0.00 2.00 0.00 0.00 34.13 36.24 3ias s GLU 36 CO 0.52 -0.22 1.88 1.63 -0.56 0.00 0.00 175.26 178.51 3ias n LYS 37 N 1.64 1.29 -0.87 4.30 5.02 -1.25 -1.16 118.16 127.12 3ias n LYS 37 Ca -0.16 0.45 0.00 0.00 -2.02 0.00 0.00 58.31 56.58 3ias n LYS 37 Cb 0.56 -2.26 0.00 0.00 -0.02 0.00 0.00 35.03 33.31 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 6.63 0.00 -4.48 2.13 8.25 -1.26 -5.04 115.22 121.45 3ias n HIS 38 Ca 0.30 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.46 3ias n HIS 38 Cb 0.17 0.00 -0.13 0.00 1.12 0.00 0.00 29.99 31.16 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 2.47 -0.07 2.41 1.43 -0.31 -4.97 118.68 119.64 3ias s LEU 39 Ca 0.00 -0.61 -0.36 0.00 -1.03 0.00 0.00 54.13 52.13 3ias s LEU 39 Cb 0.00 -1.39 -0.14 0.00 0.03 0.00 0.00 46.19 44.69 3ias s LEU 39 CO 0.00 0.20 1.73 -1.54 0.23 0.00 0.00 176.35 176.97 3ias n SER 40 N 1.10 2.89 -4.76 2.29 3.41 -1.26 -4.41 113.62 112.88 3ias n SER 40 Ca -0.17 1.04 -0.41 0.00 -0.26 0.00 0.00 58.87 59.07 3ias n SER 40 Cb 0.53 -1.30 -0.03 0.00 -0.26 0.00 0.00 64.21 63.15 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 2.93 4.45 0.02 4.33 0.04 -1.25 -4.82 135.00 140.70 3ias s PRO 41 Ca 0.91 2.06 0.01 0.00 0.04 0.00 0.00 61.00 64.01 3ias s PRO 41 Cb -0.82 -3.13 -0.02 0.00 0.04 0.00 0.00 34.50 30.58 3ias s PRO 41 CO 0.52 -0.06 -0.04 0.42 0.04 0.00 0.00 177.00 177.88 3ias s ILE 42 N -0.98 0.23 -1.29 0.56 1.09 -1.26 -4.76 121.20 114.78 3ias s ILE 42 Ca 0.48 -0.84 -0.14 0.00 -1.10 0.00 0.00 60.65 59.06 3ias s ILE 42 Cb -0.37 -0.33 0.12 0.00 -1.06 0.00 0.00 42.46 40.82 3ias s ILE 42 CO 0.47 -0.39 1.75 0.61 -0.10 0.00 0.00 174.94 177.28 3ias n GLY 43 N 1.77 3.63 0.00 6.18 0.00 -1.26 -4.66 105.19 110.84 3ias n GLY 43 Ca -0.22 -1.81 0.00 0.00 0.00 0.00 0.00 46.02 43.99 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 6.11 0.00 0.00 4.61 0.00 -1.26 -4.54 120.51 125.43 3ias n ALA 44 Ca 0.43 -0.06 -0.06 0.00 0.00 0.00 0.00 53.44 53.76 3ias n ALA 44 Cb 0.42 0.00 0.14 0.00 0.00 0.00 0.00 19.45 20.00 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 -4.06 -0.13 -0.01 0.00 1.74 -1.26 -4.99 116.66 107.95 3ias n ARG 46 Ca -0.01 0.01 -0.21 0.00 -0.77 0.00 0.00 57.85 56.87 3ias n ARG 46 Cb 0.48 -2.65 -0.14 0.00 -1.02 0.00 0.00 32.46 29.13 3ias n ARG 46 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 3ias n MET 47 N -0.62 0.74 -0.16 5.56 2.81 -1.26 -4.34 117.12 119.84 3ias n MET 47 Ca -0.00 0.29 0.00 0.00 -1.81 0.00 0.00 57.70 56.18 3ias n MET 47 Cb 0.50 -1.71 0.00 0.00 -0.71 0.00 0.00 33.22 31.30 3ias n MET 47 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3ias s LEU 49 N 0.00 3.86 0.32 0.00 1.43 -1.25 -1.48 118.68 121.55 3ias s LEU 49 Ca 0.00 2.67 0.01 0.00 -1.03 0.00 0.00 54.13 55.78 3ias s LEU 49 Cb 0.00 -4.30 -0.02 0.00 0.03 0.00 0.00 46.19 41.91 3ias s LEU 49 CO 0.00 -1.48 0.36 0.68 0.23 0.00 0.00 176.35 176.14 3ias s VAL 50 N -1.36 0.00 0.11 -1.59 -7.23 -0.22 -4.84 120.40 105.27 3ias s VAL 50 Ca 0.71 -1.79 0.07 0.00 -1.81 0.00 0.00 61.98 59.16 3ias s VAL 50 Cb -0.38 -2.55 -0.04 0.00 0.56 0.00 0.00 36.38 33.97 3ias s VAL 50 CO 0.45 0.00 -0.08 -0.60 -0.31 0.00 0.00 175.10 174.55 3ias s ARG 51 N -3.38 2.18 -0.02 4.82 3.52 -0.98 -0.73 118.95 124.36 3ias s ARG 51 Ca 0.35 -1.02 0.01 0.00 -0.13 0.00 0.00 55.73 54.94 3ias s ARG 51 Cb 0.02 -2.33 0.01 0.00 -1.56 0.00 0.00 34.95 31.09 3ias s ARG 51 CO 0.22 0.51 -0.01 0.42 -0.81 0.00 0.00 175.30 175.62 3ias s ILE 52 N -1.27 0.17 0.09 4.11 1.01 -1.26 -1.99 121.20 122.06 3ias s ILE 52 Ca 0.22 0.00 0.10 0.00 0.00 0.00 0.00 60.65 60.98 3ias s ILE 52 Cb -0.11 -0.21 -0.03 0.00 0.01 0.00 0.00 42.46 42.12 3ias s ILE 52 CO 0.15 0.10 -0.26 -0.83 0.00 0.00 0.00 174.94 174.10 3ias s GLY 53 N 0.50 1.52 -0.44 6.18 0.00 -0.61 -0.04 107.32 114.42 3ias s GLY 53 Ca -0.05 -1.36 0.08 0.00 0.00 0.00 0.00 44.72 43.38 3ias s GLY 53 CO -0.01 -1.30 1.00 -0.10 0.00 0.00 0.00 173.10 172.69 3ias n LEU 54 N 1.30 -1.55 0.23 0.66 7.94 -0.95 -1.71 117.00 122.91 3ias n LEU 54 Ca -0.17 -4.03 0.00 0.00 -1.11 0.00 0.00 56.01 50.70 3ias n LEU 54 Cb 0.52 0.88 0.00 0.00 0.53 0.00 0.00 43.42 45.35 3ias n LEU 54 CO 0.24 2.13 0.00 -0.81 -1.11 0.00 0.00 177.39 177.83 3ias n PRO 55 N 0.42 0.00 -2.36 1.96 -0.04 -1.26 -4.82 135.00 128.90 3ias n PRO 55 Ca 0.11 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 63.14 3ias n PRO 55 Cb 0.68 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 34.12 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 3.92 -0.13 0.52 1.01 -1.26 -5.05 121.20 118.20 3ias s ILE 73 Ca 0.00 0.93 -0.00 0.00 0.00 0.00 0.00 60.65 61.58 3ias s ILE 73 Cb 0.00 -4.22 0.03 0.00 0.01 0.00 0.00 42.46 38.28 3ias s ILE 73 CO 0.00 -0.77 -0.07 -1.10 0.00 0.00 0.00 174.94 173.00 3ias s GLN 74 N 4.91 1.54 -0.29 2.79 -0.21 -1.26 -5.12 119.66 122.03 3ias s GLN 74 Ca 0.61 -0.36 -0.26 0.00 0.02 0.00 0.00 55.36 55.37 3ias s GLN 74 Cb -0.13 -1.75 0.01 0.00 1.00 0.00 0.00 33.01 32.13 3ias s GLN 74 CO 0.32 -0.32 0.93 -1.58 -2.12 0.00 0.00 175.29 172.52 3ias s TRP 75 N 1.67 3.23 0.45 0.91 0.23 -1.26 -2.23 118.94 121.93 3ias s TRP 75 Ca 0.04 1.09 -0.24 0.00 -2.03 0.00 0.00 56.10 54.96 3ias s TRP 75 Cb -0.13 -3.35 -0.09 0.00 0.03 0.00 0.00 33.47 29.92 3ias s TRP 75 CO -0.08 -0.59 1.09 1.04 0.96 0.00 0.00 176.95 179.37 3ias n GLN 76 N 6.40 1.47 -0.03 4.98 1.13 0.94 -4.92 117.38 127.35 3ias n GLN 76 Ca 0.08 0.53 -0.14 0.00 -1.94 0.00 0.00 57.00 55.53 3ias n GLN 76 Cb 0.47 -2.17 -0.09 0.00 0.11 0.00 0.00 30.24 28.56 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 1.57 0.16 -6.05 -1.09 0.11 -1.95 -3.45 132.00 121.31 3ias h PRO 77 Ca -0.46 -0.11 -0.67 0.00 0.11 0.00 0.00 66.00 64.88 3ias h PRO 77 Cb 1.33 0.01 -0.13 0.00 0.11 0.00 0.00 31.00 32.32 3ias h PRO 77 CO 0.57 0.69 -0.61 -1.59 -0.21 0.00 0.00 178.00 176.84 3ias s LYS 78 N -3.96 2.93 0.72 1.05 -2.85 -1.26 -5.10 119.74 111.28 3ias s LYS 78 Ca -0.15 -0.51 -0.16 0.00 -1.00 0.00 0.00 55.97 54.15 3ias s LYS 78 Cb 0.03 -2.77 0.03 0.00 -2.06 0.00 0.00 37.83 33.05 3ias s LYS 78 CO 0.72 0.66 1.23 1.28 0.10 0.00 0.00 175.35 179.33 3ias n LEU 79 N 1.56 5.17 -4.51 2.77 4.77 -1.26 -4.83 117.00 120.66 3ias n LEU 79 Ca -0.15 0.72 -0.26 0.00 -0.03 0.00 0.00 56.01 56.29 3ias n LEU 79 Cb 0.53 -1.52 -0.10 0.00 -2.33 0.00 0.00 43.42 40.00 3ias n LEU 79 CO 0.33 -1.37 -0.45 0.00 -1.33 0.00 0.00 177.39 174.57 3ias s ALA 80 N -1.72 2.80 -0.91 -1.18 0.00 0.09 -4.88 121.76 115.96 3ias s ALA 80 Ca 0.78 -1.63 -0.23 0.00 0.00 0.00 0.00 51.96 50.88 3ias s ALA 80 Cb -0.34 -0.52 0.06 0.00 0.00 0.00 0.00 23.12 22.32 3ias s ALA 80 CO 0.45 0.39 1.32 0.00 0.00 0.00 0.00 175.76 177.92 3ias s ALA 81 N -1.93 2.87 0.55 0.00 0.00 -1.26 -1.06 121.76 120.93 3ias s ALA 81 Ca 0.25 -2.13 0.18 0.00 0.00 0.00 0.00 51.96 50.27 3ias s ALA 81 Cb -0.07 -4.33 1.00 0.00 0.00 0.00 0.00 23.12 19.71 3ias s ALA 81 CO 0.14 -3.37 1.54 0.66 0.00 0.00 0.00 175.76 174.73 3ias h SER 82 N 9.66 0.00 0.59 0.00 4.64 -1.58 0.30 113.55 127.15 3ias h SER 82 Ca 0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 3ias h SER 82 Cb 1.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.12 3ias h SER 82 CO 1.32 0.00 -0.32 0.00 -0.87 0.00 0.00 176.83 176.96 3ias n VAL 84 N -1.38 0.00 -3.42 0.00 0.24 0.05 -4.80 118.33 109.04 3ias n VAL 84 Ca 0.07 -0.24 -0.37 0.00 -2.04 0.00 0.00 64.34 61.76 3ias n VAL 84 Cb 0.33 1.38 -0.07 0.00 -1.47 0.00 0.00 33.84 34.01 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 -0.13 5.24 0.50 3.34 2.01 -0.94 -5.03 115.64 120.63 3ias s THR 85 Ca 0.00 0.75 -0.13 0.00 0.31 0.00 0.00 61.69 62.61 3ias s THR 85 Cb 0.00 -3.73 -0.07 0.00 0.01 0.00 0.00 72.50 68.72 3ias s THR 85 CO 0.00 0.34 0.93 0.00 -0.69 0.00 0.00 174.62 175.20 3ias s ALA 86 N 0.68 3.16 0.35 7.40 0.00 -1.26 -1.24 121.76 130.86 3ias s ALA 86 Ca 0.21 0.00 -0.23 0.00 0.00 0.00 0.00 51.96 51.94 3ias s ALA 86 Cb -0.14 -2.98 -0.10 0.00 0.00 0.00 0.00 23.12 19.90 3ias s ALA 86 CO 0.07 -0.26 0.91 0.14 0.00 0.00 0.00 175.76 176.61 3ias s VAL 87 N -2.66 4.35 0.18 0.00 -7.23 -0.67 -4.71 120.40 109.66 3ias s VAL 87 Ca 0.56 1.57 0.07 0.00 -1.81 0.00 0.00 61.98 62.37 3ias s VAL 87 Cb -0.10 -3.81 -0.04 0.00 0.56 0.00 0.00 36.38 32.99 3ias s VAL 87 CO 0.36 -0.05 -0.14 0.00 -0.31 0.00 0.00 175.10 174.95 3ias s ALA 88 N -1.85 1.88 0.23 1.32 0.00 -1.26 -4.82 121.76 117.26 3ias s ALA 88 Ca 0.54 -1.58 -0.31 0.00 0.00 0.00 0.00 51.96 50.61 3ias s ALA 88 Cb -0.14 -0.08 -0.10 0.00 0.00 0.00 0.00 23.12 22.80 3ias s ALA 88 CO 0.19 0.06 1.54 0.34 0.00 0.00 0.00 175.76 177.89 3ias s ASP 89 N -3.15 6.55 -0.77 0.00 -1.08 -1.26 -3.29 116.67 113.67 3ias s ASP 89 Ca 0.20 2.72 -0.01 0.00 -0.52 0.00 0.00 52.55 54.94 3ias s ASP 89 Cb -0.01 -2.61 -0.01 0.00 -1.46 0.00 0.00 42.92 38.82 3ias s ASP 89 CO 0.06 -0.81 0.65 0.61 0.52 0.00 0.00 175.17 176.20 3ias n GLY 90 N 2.87 -0.19 3.39 2.66 0.00 0.14 -4.96 105.19 109.10 3ias n GLY 90 Ca 0.10 0.01 -0.33 0.00 0.00 0.00 0.00 46.02 45.80 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 -4.64 3.43 -0.13 1.61 0.00 -1.21 -4.34 119.30 114.02 3ias s MET 91 Ca 0.08 -0.66 -0.11 0.00 0.00 0.00 0.00 55.69 55.00 3ias s MET 91 Cb -0.01 -2.70 -0.05 0.00 0.00 0.00 0.00 34.83 32.08 3ias s MET 91 CO 0.49 0.20 0.24 0.08 0.00 0.00 0.00 175.02 176.02 3ias s VAL 92 N 0.41 5.34 -0.35 10.11 1.01 -0.70 -1.14 120.40 135.08 3ias s VAL 92 Ca -0.09 0.43 0.02 0.00 0.00 0.00 0.00 61.98 62.34 3ias s VAL 92 Cb -0.16 -3.55 0.11 0.00 0.00 0.00 0.00 36.38 32.78 3ias s VAL 92 CO 0.05 0.49 0.10 -0.69 0.00 0.00 0.00 175.10 175.05 3ias s VAL 93 N -0.20 1.63 -0.25 2.92 1.01 -0.54 -1.58 120.40 123.40 3ias s VAL 93 Ca 0.15 -2.04 -0.28 0.00 0.00 0.00 0.00 61.98 59.81 3ias s VAL 93 Cb -0.13 -2.20 0.01 0.00 0.00 0.00 0.00 36.38 34.06 3ias s VAL 93 CO 0.04 -0.67 1.02 -0.62 0.00 0.00 0.00 175.10 174.87 3ias s ASP 94 N 1.06 7.02 -0.14 3.32 2.15 -0.84 -4.05 116.67 125.20 3ias s ASP 94 Ca 0.12 1.25 0.17 0.00 0.43 0.00 0.00 52.55 54.52 3ias s ASP 94 Cb -0.19 -2.53 0.37 0.00 -0.30 0.00 0.00 42.92 40.27 3ias s ASP 94 CO -0.14 -0.70 1.25 0.35 -0.17 0.00 0.00 175.17 175.77 3ias n THR 95 N 5.44 1.95 0.00 1.71 -2.24 -1.26 -2.31 114.28 117.56 3ias n THR 95 Ca 0.11 -1.98 0.00 0.00 -2.27 0.00 0.00 64.05 59.92 3ias n THR 95 Cb 0.46 -0.16 0.00 0.00 -2.10 0.00 0.00 70.33 68.53 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 -0.92 0.00 -4.30 3.22 4.32 -1.26 -4.85 117.00 113.22 3ias n LEU 96 Ca 0.17 0.00 -0.42 0.00 -0.02 0.00 0.00 56.01 55.74 3ias n LEU 96 Cb 0.71 0.00 -0.00 0.00 -1.62 0.00 0.00 43.42 42.50 3ias n LEU 96 CO 0.07 0.00 -0.45 -1.20 -1.22 0.00 0.00 177.39 174.59 3ias n SER 97 N -0.88 -2.93 -0.24 -1.43 7.64 -1.26 -4.58 113.62 109.95 3ias n SER 97 Ca 0.00 0.80 0.01 0.00 1.01 0.00 0.00 58.87 60.69 3ias n SER 97 Cb 0.04 -0.88 0.13 0.00 -1.01 0.00 0.00 64.21 62.48 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 0.30 0.44 -1.00 6.43 3.32 -1.99 -1.11 116.42 122.82 3ias h ASP 98 Ca -0.37 0.06 0.20 0.00 0.02 0.00 0.00 57.03 56.94 3ias h ASP 98 Cb 1.45 -0.02 -0.10 0.00 0.22 0.00 0.00 39.33 40.88 3ias h ASP 98 CO 0.46 0.26 0.61 0.58 -1.72 0.00 0.00 179.24 179.44 3ias h VAL 99 N 0.58 0.68 0.18 -1.35 2.07 -1.99 0.25 116.25 116.67 3ias h VAL 99 Ca 0.33 -0.23 -0.01 0.00 0.82 0.00 0.00 66.70 67.61 3ias h VAL 99 Cb 0.34 -0.06 0.00 0.00 -1.52 0.00 0.00 31.29 30.05 3ias h VAL 99 CO -0.26 0.12 -0.09 0.58 0.02 0.00 0.00 177.57 177.95 3ias h VAL 100 N 0.68 0.73 -0.16 2.57 2.07 -1.56 -2.96 116.25 117.62 3ias h VAL 100 Ca 0.57 -1.09 0.05 0.00 0.82 0.00 0.00 66.70 67.05 3ias h VAL 100 Cb 0.99 1.23 -0.05 0.00 -1.52 0.00 0.00 31.29 31.94 3ias h VAL 100 CO -0.35 0.19 -0.18 0.03 0.02 0.00 0.00 177.57 177.28 3ias h ARG 101 N -0.91 -0.21 -1.06 1.57 3.08 -0.94 -0.47 114.38 115.44 3ias h ARG 101 Ca -0.02 0.01 0.28 0.00 0.07 0.00 0.00 59.98 60.32 3ias h ARG 101 Cb 0.50 0.05 -0.10 0.00 0.08 0.00 0.00 29.97 30.50 3ias h ARG 101 CO 0.04 -0.14 0.68 1.49 -1.07 0.00 0.00 179.97 180.97 3ias h GLU 102 N -0.22 0.36 -0.03 0.04 4.81 -0.62 0.67 114.58 119.59 3ias h GLU 102 Ca 0.11 -0.02 -0.13 0.00 -0.13 0.00 0.00 59.36 59.18 3ias h GLU 102 Cb 0.38 -0.08 0.01 0.00 0.63 0.00 0.00 28.75 29.68 3ias h GLU 102 CO -0.28 0.24 -0.50 0.00 -0.73 0.00 0.00 179.01 177.73 3ias h ALA 103 N 1.62 0.11 -0.57 2.92 0.00 -0.96 -2.23 119.26 120.14 3ias h ALA 103 Ca 0.61 -0.52 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 3ias h ALA 103 Cb 1.58 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 19.36 3ias h ALA 103 CO -0.31 0.30 0.32 1.96 0.00 0.00 0.00 179.25 181.53 3ias h GLN 104 N -0.10 0.79 -0.29 0.00 4.20 -0.30 -0.92 115.11 118.49 3ias h GLN 104 Ca -0.05 -0.09 0.07 0.00 0.06 0.00 0.00 58.65 58.63 3ias h GLN 104 Cb 1.19 -0.16 -0.08 0.00 0.30 0.00 0.00 27.48 28.73 3ias h GLN 104 CO 0.10 0.60 -0.35 0.00 -0.67 0.00 0.00 178.83 178.52 3ias h ALA 105 N 1.15 -0.31 -0.38 3.87 0.00 -0.93 0.64 119.26 123.30 3ias h ALA 105 Ca 0.20 0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.19 3ias h ALA 105 Cb 0.04 0.71 -0.03 0.00 0.00 0.00 0.00 17.79 18.51 3ias h ALA 105 CO -0.03 -0.78 0.22 0.78 0.00 0.00 0.00 179.25 179.43 3ias h GLY 106 N -0.33 0.52 0.95 0.00 0.00 -1.19 -1.43 103.07 101.59 3ias h GLY 106 Ca 0.14 -0.16 0.02 0.00 0.00 0.00 0.00 47.33 47.32 3ias h GLY 106 CO -0.47 0.14 0.48 1.98 0.00 0.00 0.00 176.54 178.67 3ias h MET 107 N 0.45 0.93 -0.34 4.80 -1.53 -0.46 0.12 114.93 118.90 3ias h MET 107 Ca 0.15 -0.06 0.03 0.00 -3.44 0.00 0.00 59.70 56.38 3ias h MET 107 Cb 0.01 -0.21 -0.03 0.00 -0.55 0.00 0.00 31.60 30.82 3ias h MET 107 CO -0.07 0.62 0.16 0.28 0.14 0.00 0.00 176.91 178.04 3ias h VAL 108 N 0.96 0.98 -0.90 -5.77 2.07 -0.79 -0.61 116.25 112.18 3ias h VAL 108 Ca 0.28 -0.12 0.14 0.00 0.82 0.00 0.00 66.70 67.83 3ias h VAL 108 Cb -0.06 0.61 -0.09 0.00 -1.52 0.00 0.00 31.29 30.23 3ias h VAL 108 CO -0.08 0.06 0.51 -0.08 0.02 0.00 0.00 177.57 178.00 3ias h GLU 109 N 0.34 0.71 -0.36 1.57 4.81 0.05 -1.08 114.58 120.63 3ias h GLU 109 Ca 0.14 -0.04 -0.08 0.00 -0.13 0.00 0.00 59.36 59.25 3ias h GLU 109 Cb 0.06 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.27 3ias h GLU 109 CO -0.10 0.47 -0.07 0.74 -0.73 0.00 0.00 179.01 179.31 3ias h PHE 110 N 0.74 0.77 -0.96 0.92 0.04 -0.24 -0.75 116.94 117.45 3ias h PHE 110 Ca 0.48 -0.16 0.03 0.00 2.80 0.00 0.00 57.97 61.12 3ias h PHE 110 Cb 0.62 -0.19 -0.05 0.00 2.20 0.00 0.00 35.95 38.53 3ias h PHE 110 CO -0.06 0.83 0.63 1.15 -0.60 0.00 0.00 178.31 180.27 3ias h THR 111 N 0.48 1.19 0.00 -1.55 2.02 -0.17 -2.59 112.91 112.29 3ias h THR 111 Ca 0.09 -0.42 0.00 0.00 0.77 0.00 0.00 66.41 66.85 3ias h THR 111 Cb 0.58 -0.16 0.00 0.00 -1.74 0.00 0.00 68.15 66.83 3ias h THR 111 CO 0.03 0.23 -0.08 -0.07 0.37 0.00 0.00 175.52 176.00 3ias h LEU 112 N 1.24 0.00 -0.96 2.58 3.38 -1.07 -3.37 115.31 117.11 3ias h LEU 112 Ca 0.38 -0.00 0.31 0.00 0.09 0.00 0.00 57.88 58.65 3ias h LEU 112 Cb -0.03 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 40.56 3ias h LEU 112 CO -0.11 0.00 0.33 0.25 0.09 0.00 0.00 178.44 179.01 3ias h LEU 113 N 0.00 0.08 -1.72 1.67 5.85 -0.72 -2.57 115.31 117.91 3ias h LEU 113 Ca 0.00 0.23 0.00 0.00 0.84 0.00 0.00 57.88 58.95 3ias h LEU 113 Cb 0.97 0.29 0.00 0.00 0.37 0.00 0.00 40.66 42.29 3ias h LEU 113 CO 0.00 -0.27 0.00 0.59 -0.34 0.00 0.00 178.44 178.42 3ias n ASN 114 N -5.26 1.93 -4.64 1.25 3.02 -1.26 -4.87 115.26 105.43 3ias n ASN 114 Ca 0.28 -1.50 -0.30 0.00 -0.03 0.00 0.00 54.58 53.03 3ias n ASN 114 Cb 0.91 -0.04 0.18 0.00 -0.61 0.00 0.00 39.78 40.22 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 -0.76 1.73 -1.57 3.10 2.46 -0.97 -3.88 115.29 115.40 3ias s HIS 115 Ca 0.11 1.54 0.24 0.00 0.47 0.00 0.00 55.06 57.42 3ias s HIS 115 Cb 0.07 -3.22 0.37 0.00 -0.13 0.00 0.00 32.58 29.67 3ias s HIS 115 CO 0.11 -2.95 1.32 -0.35 -2.47 0.00 0.00 174.74 170.40 3ias n PRO 116 N -4.31 0.65 -2.76 2.88 -0.04 -1.26 -4.88 135.00 125.28 3ias n PRO 116 Ca 0.09 -0.46 -0.08 0.00 -0.04 0.00 0.00 63.50 63.01 3ias n PRO 116 Cb 0.53 -1.49 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 -0.78 -2.65 -0.05 1.53 4.77 -1.26 -4.99 117.00 113.58 3ias n LEU 117 Ca 0.09 -0.22 0.01 0.00 -0.03 0.00 0.00 56.01 55.86 3ias n LEU 117 Cb 0.37 -1.49 -0.15 0.00 -2.33 0.00 0.00 43.42 39.82 3ias n LEU 117 CO 0.31 0.21 -0.89 0.47 -1.33 0.00 0.00 177.39 176.15 3ias n ASP 118 N -0.94 0.59 0.00 -1.43 8.00 -1.26 -4.84 116.55 116.66 3ias n ASP 118 Ca -0.05 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.45 3ias n ASP 118 Cb 0.54 1.44 0.00 0.00 -0.02 0.00 0.00 41.12 43.08 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 0.69 0.00 0.00 0.13 -2.00 -0.72 132.00 130.11 3ias h PRO 120 Ca 0.00 -0.04 -0.01 0.00 -0.87 0.00 0.00 66.00 65.08 3ias h PRO 120 Cb 0.00 -0.16 -0.00 0.00 0.13 0.00 0.00 31.00 30.97 3ias h PRO 120 CO 0.00 0.46 -0.84 0.00 -0.23 0.00 0.00 178.00 177.39 3ias h THR 121 N 0.72 0.04 -3.12 1.56 1.03 0.18 -3.47 112.91 109.84 3ias h THR 121 Ca 0.58 -1.08 -0.54 0.00 -0.01 0.00 0.00 66.41 65.36 3ias h THR 121 Cb 0.92 1.64 0.00 0.00 -1.07 0.00 0.00 68.15 69.64 3ias h THR 121 CO -0.40 0.02 0.63 0.00 -0.01 0.00 0.00 175.52 175.76 3ias n ASP 123 N 4.20 0.00 0.00 0.00 2.03 -1.26 -2.49 116.55 119.03 3ias n ASP 123 Ca 0.10 -0.13 0.12 0.00 0.52 0.00 0.00 54.79 55.39 3ias n ASP 123 Cb 0.45 -0.17 0.55 0.00 -0.72 0.00 0.00 41.12 41.24 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 -1.17 0.16 0.00 -0.67 0.00 -1.26 -4.79 118.16 110.44 3ias n LYS 124 Ca 0.08 0.08 0.00 0.00 0.00 0.00 0.00 58.31 58.47 3ias n LYS 124 Cb 0.09 -1.50 0.00 0.00 0.00 0.00 0.00 35.03 33.62 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 0.84 0.70 1.38 3.14 0.00 -1.04 -2.12 105.19 108.10 3ias n GLY 125 Ca 0.08 -0.79 -0.07 0.00 0.00 0.00 0.00 46.02 45.24 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 2.76 2.26 -0.02 0.00 -1.26 -3.92 105.19 105.02 3ias n GLY 126 Ca 0.00 -0.33 -0.21 0.00 0.00 0.00 0.00 46.02 45.48 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 0.12 4.61 -3.59 4.61 0.00 -0.90 -4.98 120.51 120.39 3ias n ALA 127 Ca 0.17 -3.73 -0.33 0.00 0.00 0.00 0.00 53.44 49.55 3ias n ALA 127 Cb 0.80 -0.48 -0.15 0.00 0.00 0.00 0.00 19.45 19.62 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 7.47 0.00 -0.00 0.00 5.08 -1.63 -2.85 114.58 122.64 3ias h GLU 129 Ca -0.35 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 57.97 3ias h GLU 129 Cb 1.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.43 3ias h GLU 129 CO 0.58 0.07 -0.13 1.25 -1.00 0.00 0.00 179.01 179.78 3ias h LEU 130 N 0.00 0.12 0.19 1.33 5.85 -1.95 -2.77 115.31 118.08 3ias h LEU 130 Ca -0.00 -0.77 -0.01 0.00 0.84 0.00 0.00 57.88 57.95 3ias h LEU 130 Cb 0.27 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.25 3ias h LEU 130 CO 0.01 0.88 -0.20 1.56 -0.34 0.00 0.00 178.44 180.34 3ias h GLN 131 N -0.62 -0.38 -0.74 1.25 4.20 -1.88 -0.32 115.11 116.62 3ias h GLN 131 Ca -0.02 0.03 0.08 0.00 0.06 0.00 0.00 58.65 58.80 3ias h GLN 131 Cb 0.89 0.09 -0.11 0.00 0.30 0.00 0.00 27.48 28.65 3ias h GLN 131 CO 0.03 -0.26 -0.55 -0.44 -0.67 0.00 0.00 178.83 176.94 3ias h ASP 132 N -0.40 -1.93 -0.66 1.46 5.19 -1.62 0.60 116.42 119.06 3ias h ASP 132 Ca -0.02 0.29 0.06 0.00 -0.62 0.00 0.00 57.03 56.73 3ias h ASP 132 Cb 0.35 0.84 -0.04 0.00 0.18 0.00 0.00 39.33 40.66 3ias h ASP 132 CO -0.03 -0.31 0.44 0.03 -3.12 0.00 0.00 179.24 176.25 3ias h ARG 133 N -0.17 0.67 -0.07 3.56 -0.00 -1.51 0.74 114.38 117.60 3ias h ARG 133 Ca 0.14 -0.04 0.02 0.00 -0.50 0.00 0.00 59.98 59.61 3ias h ARG 133 Cb 0.51 -0.15 -0.03 0.00 0.00 0.00 0.00 29.97 30.30 3ias h ARG 133 CO -0.79 0.44 -0.07 1.15 0.00 0.00 0.00 179.97 180.70 3ias h THR 134 N 0.69 0.79 -0.30 2.04 2.02 0.20 0.50 112.91 118.83 3ias h THR 134 Ca 0.28 0.00 -0.10 0.00 0.77 0.00 0.00 66.41 67.36 3ias h THR 134 Cb 0.24 0.79 -0.01 0.00 -1.74 0.00 0.00 68.15 67.43 3ias h THR 134 CO -0.09 0.00 -0.20 0.58 0.37 0.00 0.00 175.52 176.18 3ias h VAL 135 N -0.10 1.30 0.07 3.16 2.07 -0.54 0.09 116.25 122.30 3ias h VAL 135 Ca 0.06 -1.33 0.01 0.00 0.82 0.00 0.00 66.70 66.25 3ias h VAL 135 Cb 0.18 1.50 -0.02 0.00 -1.52 0.00 0.00 31.29 31.43 3ias h VAL 135 CO -0.13 0.43 -0.13 -0.33 0.02 0.00 0.00 177.57 177.43 3ias h GLU 136 N 0.42 -0.24 0.00 1.57 5.08 0.76 -3.38 114.58 118.79 3ias h GLU 136 Ca 0.06 0.02 -0.05 0.00 -1.00 0.00 0.00 59.36 58.38 3ias h GLU 136 Cb 0.75 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.04 3ias h GLU 136 CO 0.06 -0.16 -1.30 0.66 -1.00 0.00 0.00 179.01 177.26 3ias n TYR 137 N -5.25 0.00 -0.39 4.33 4.02 0.14 -5.06 117.16 114.96 3ias n TYR 137 Ca -0.06 0.00 -0.30 0.00 -0.01 0.00 0.00 57.90 57.52 3ias n TYR 137 Cb 0.17 -0.20 0.28 0.00 -0.02 0.00 0.00 39.34 39.58 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 -3.22 1.43 -0.22 2.72 0.00 0.02 -4.42 107.32 103.64 3ias s GLY 138 Ca -0.02 -0.69 -0.02 0.00 0.00 0.00 0.00 44.72 43.99 3ias s GLY 138 CO 0.21 0.27 0.06 1.04 0.00 0.00 0.00 173.10 174.68 3ias n LEU 139 N -5.54 -6.36 -4.72 0.66 4.77 -1.26 -4.92 117.00 99.63 3ias n LEU 139 Ca 0.11 0.99 -0.41 0.00 -0.03 0.00 0.00 56.01 56.66 3ias n LEU 139 Cb 0.59 -2.71 -0.04 0.00 -2.33 0.00 0.00 43.42 38.94 3ias n LEU 139 CO 0.45 -2.47 0.79 -0.47 -1.33 0.00 0.00 177.39 174.36 3ias s TYR 140 N -1.47 3.58 -0.43 -1.77 5.04 -1.26 -5.00 117.35 116.04 3ias s TYR 140 Ca 0.03 1.55 -0.22 0.00 -2.44 0.00 0.00 57.07 55.98 3ias s TYR 140 Cb -0.01 -3.27 0.02 0.00 0.35 0.00 0.00 41.96 39.06 3ias s TYR 140 CO 0.52 -0.62 0.73 -2.00 -1.34 0.00 0.00 175.55 172.84 3ias s GLU 141 N 0.36 3.42 0.22 4.97 2.12 -1.26 -5.05 118.70 123.48 3ias s GLU 141 Ca 0.52 -0.14 -0.04 0.00 0.36 0.00 0.00 54.97 55.67 3ias s GLU 141 Cb -0.27 -3.92 -0.05 0.00 0.26 0.00 0.00 34.13 30.15 3ias s GLU 141 CO 0.31 -1.02 0.46 -1.59 -0.54 0.00 0.00 175.26 172.88 3ias s LYS 142 N 3.07 3.62 -0.30 4.30 -2.85 -1.26 -5.09 119.74 121.23 3ias s LYS 142 Ca 0.27 -0.09 -0.00 0.00 -1.00 0.00 0.00 55.97 55.15 3ias s LYS 142 Cb -0.13 -2.75 0.19 0.00 -2.06 0.00 0.00 37.83 33.08 3ias s LYS 142 CO 0.20 0.35 0.68 0.71 0.10 0.00 0.00 175.35 177.39 3ias s TYR 143 N -1.88 -1.51 0.00 1.78 4.12 -1.26 -5.28 117.35 113.33 3ias s TYR 143 Ca 0.42 1.23 0.00 0.00 0.02 0.00 0.00 57.07 58.74 3ias s TYR 143 Cb -0.11 0.39 0.00 0.00 -1.52 0.00 0.00 41.96 40.72 3ias s TYR 143 CO 0.27 -0.85 0.00 0.39 0.02 0.00 0.00 175.55 175.38 3ias n GLU 150 N 5.40 0.00 -1.50 -0.62 4.71 -1.26 -5.27 120.64 122.11 3ias n GLU 150 Ca 0.02 0.00 -0.50 0.00 -0.01 0.00 0.00 57.16 56.67 3ias n GLU 150 Cb 0.53 0.00 -0.06 0.00 -1.01 0.00 0.00 31.44 30.90 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 2.38 -4.75 -4.62 4.77 -1.26 -4.90 117.00 108.62 3ias n LEU 151 Ca 0.00 0.47 -0.37 0.00 -0.03 0.00 0.00 56.01 56.09 3ias n LEU 151 Cb 0.00 -1.30 0.04 0.00 -2.33 0.00 0.00 43.42 39.84 3ias n LEU 151 CO 0.00 -0.65 0.88 -2.16 -1.33 0.00 0.00 177.39 174.13 3ias s PRO 152 N 5.90 2.90 -0.29 3.23 0.04 -1.26 -5.00 135.00 140.52 3ias s PRO 152 Ca 1.07 1.96 -0.05 0.00 0.04 0.00 0.00 61.00 64.02 3ias s PRO 152 Cb -0.80 -1.97 0.02 0.00 0.04 0.00 0.00 34.50 31.79 3ias s PRO 152 CO 0.49 -1.30 0.05 0.08 0.04 0.00 0.00 177.00 176.36 3ias s VAL 153 N -1.48 3.59 0.22 -0.36 1.01 -1.26 -4.98 120.40 117.14 3ias s VAL 153 Ca 0.78 -0.92 0.08 0.00 0.00 0.00 0.00 61.98 61.92 3ias s VAL 153 Cb -0.34 -2.90 -0.09 0.00 0.00 0.00 0.00 36.38 33.04 3ias s VAL 153 CO 0.37 0.04 1.49 1.88 0.00 0.00 0.00 175.10 178.88 3ias h TYR 154 N 8.16 0.05 -2.95 5.22 0.05 -2.04 -3.45 116.97 122.01 3ias h TYR 154 Ca -0.29 -0.03 -0.20 0.00 0.05 0.00 0.00 58.73 58.26 3ias h TYR 154 Cb 1.11 -0.01 -0.31 0.00 1.01 0.00 0.00 36.73 38.53 3ias h TYR 154 CO 0.60 0.77 -0.50 -0.08 -1.05 0.00 0.00 178.16 177.90 3ias s THR 155 N -3.34 -0.20 -0.10 -2.88 -1.32 -1.26 -5.03 115.64 101.51 3ias s THR 155 Ca -0.01 0.20 0.12 0.00 -1.21 0.00 0.00 61.69 60.79 3ias s THR 155 Cb 0.12 -0.41 -0.24 0.00 -1.51 0.00 0.00 72.50 70.46 3ias s THR 155 CO 0.79 0.08 0.43 0.54 -2.21 0.00 0.00 174.62 174.25 3ias n ARG 156 N 4.71 0.66 -2.54 7.08 1.74 -1.26 -4.87 116.66 122.19 3ias n ARG 156 Ca -0.17 0.20 -0.42 0.00 -0.77 0.00 0.00 57.85 56.69 3ias n ARG 156 Cb 0.52 -1.70 -0.02 0.00 -1.02 0.00 0.00 32.46 30.23 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 -2.56 2.53 -0.44 -1.55 5.36 -1.26 -4.92 117.98 115.13 3ias s PHE 157 Ca -0.09 0.42 0.04 0.00 -0.96 0.00 0.00 56.93 56.34 3ias s PHE 157 Cb 0.07 -4.49 0.51 0.00 -0.34 0.00 0.00 43.02 38.77 3ias s PHE 157 CO 0.81 -1.69 1.68 -0.85 -1.46 0.00 0.00 175.22 173.71 3ias n GLU 158 N 8.51 2.53 -3.99 10.12 0.28 -1.26 -5.00 120.64 131.83 3ias n GLU 158 Ca 0.09 -3.38 -0.27 0.00 -0.16 0.00 0.00 57.16 53.45 3ias n GLU 158 Cb 0.49 -2.13 -0.02 0.00 1.43 0.00 0.00 31.44 31.21 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 -3.51 1.73 -0.01 -1.84 0.40 -1.26 -5.07 117.98 108.40 3ias s PHE 159 Ca 0.55 -0.84 -0.30 0.00 -0.60 0.00 0.00 56.93 55.74 3ias s PHE 159 Cb 0.45 -1.89 -0.06 0.00 0.51 0.00 0.00 43.02 42.04 3ias s PHE 159 CO 0.03 -0.35 1.55 0.99 0.70 0.00 0.00 175.22 178.14 3ias s THR 160 N -2.77 3.53 0.98 0.64 2.01 -1.26 -5.00 115.64 113.77 3ias s THR 160 Ca 0.31 0.82 -0.12 0.00 0.31 0.00 0.00 61.69 63.01 3ias s THR 160 Cb -0.02 -3.53 0.18 0.00 0.01 0.00 0.00 72.50 69.14 3ias s THR 160 CO 0.19 -0.03 1.08 -0.13 -0.69 0.00 0.00 174.62 175.04 3ias s ARG 161 N 3.18 0.58 -0.27 4.92 0.52 -1.26 -4.94 118.95 121.68 3ias s ARG 161 Ca 0.70 0.82 -0.29 0.00 -0.52 0.00 0.00 55.73 56.43 3ias s ARG 161 Cb -0.34 -1.73 0.01 0.00 0.52 0.00 0.00 34.95 33.41 3ias s ARG 161 CO 0.28 -2.71 1.15 0.50 0.02 0.00 0.00 175.30 174.55 3ias s ARG 162 N -4.82 4.11 -0.14 3.54 3.52 -1.25 -5.02 118.95 118.89 3ias s ARG 162 Ca 0.65 1.29 -0.02 0.00 -0.13 0.00 0.00 55.73 57.52 3ias s ARG 162 Cb -0.20 -3.75 -0.02 0.00 -1.56 0.00 0.00 34.95 29.42 3ias s ARG 162 CO 0.59 -0.85 -0.07 -1.01 -0.81 0.00 0.00 175.30 173.15 3ias s HIS 163 N 3.67 2.95 0.00 5.12 3.76 -1.26 -4.93 115.29 124.60 3ias s HIS 163 Ca 0.49 -0.41 0.00 0.00 -0.15 0.00 0.00 55.06 55.00 3ias s HIS 163 Cb -0.16 -1.91 0.00 0.00 1.11 0.00 0.00 32.58 31.63 3ias s HIS 163 CO 0.15 -0.08 0.00 1.33 -0.85 0.00 0.00 174.74 175.29 3ias n VAL 164 N 3.47 0.00 -1.37 -0.90 0.24 -1.26 -5.11 118.33 113.39 3ias n VAL 164 Ca -0.18 0.00 -0.34 0.00 -2.04 0.00 0.00 64.34 61.79 3ias n VAL 164 Cb 0.53 0.00 0.10 0.00 -1.47 0.00 0.00 33.84 32.99 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 1.25 4.15 -0.13 -1.34 2.15 -1.26 -4.91 116.67 116.58 3ias s ASP 165 Ca 0.00 2.29 -0.28 0.00 0.43 0.00 0.00 52.55 54.99 3ias s ASP 165 Cb 0.00 -2.58 0.07 0.00 -0.30 0.00 0.00 42.92 40.11 3ias s ASP 165 CO 0.00 -2.29 0.68 -0.75 -0.17 0.00 0.00 175.17 172.63 3ias s LYS 166 N -4.04 0.96 -1.29 4.34 2.20 -1.26 -3.37 119.74 117.28 3ias s LYS 166 Ca 0.72 0.51 -0.21 0.00 -0.36 0.00 0.00 55.97 56.63 3ias s LYS 166 Cb -0.27 0.46 0.02 0.00 -1.51 0.00 0.00 37.83 36.53 3ias s LYS 166 CO 0.47 -0.24 0.53 -2.39 -0.36 0.00 0.00 175.35 173.36 3ias n HIS 167 N 1.59 -1.48 -4.03 4.03 1.44 -1.23 -4.95 115.22 110.59 3ias n HIS 167 Ca -0.17 0.32 -0.31 0.00 -2.01 0.00 0.00 57.72 55.55 3ias n HIS 167 Cb 0.56 -3.01 -0.15 0.00 0.12 0.00 0.00 29.99 27.51 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 -3.75 3.43 0.08 -1.40 5.04 -0.50 -4.92 115.29 113.27 3ias s HIS 168 Ca 0.33 -2.63 -0.31 0.00 -1.54 0.00 0.00 55.06 50.92 3ias s HIS 168 Cb -0.17 -2.42 -0.08 0.00 0.04 0.00 0.00 32.58 29.95 3ias s HIS 168 CO 0.95 -0.91 1.65 -1.25 -2.34 0.00 0.00 174.74 172.84 3ias s PRO 169 N 1.03 4.20 0.08 2.88 0.04 -1.26 -2.26 135.00 139.71 3ias s PRO 169 Ca 0.02 2.34 -0.06 0.00 0.04 0.00 0.00 61.00 63.34 3ias s PRO 169 Cb -0.19 -3.57 -0.24 0.00 0.04 0.00 0.00 34.50 30.53 3ias s PRO 169 CO -0.07 -0.73 1.17 -0.07 0.04 0.00 0.00 177.00 177.34 3ias h LEU 170 N 8.46 0.50 0.00 -3.56 3.38 -1.42 -3.46 115.31 119.20 3ias h LEU 170 Ca -0.43 -0.49 -0.10 0.00 0.09 0.00 0.00 57.88 56.95 3ias h LEU 170 Cb 1.20 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.77 3ias h LEU 170 CO 0.93 1.36 -0.09 -1.54 0.09 0.00 0.00 178.44 179.19 3ias n SER 171 N -3.61 -0.24 0.00 -0.43 3.41 -1.16 -4.55 113.62 107.05 3ias n SER 171 Ca -0.09 -1.52 0.08 0.00 -0.26 0.00 0.00 58.87 57.08 3ias n SER 171 Cb 0.98 0.50 0.39 0.00 -0.26 0.00 0.00 64.21 65.82 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 -0.15 0.07 -0.00 4.33 -0.04 -1.26 -3.77 135.00 134.17 3ias n PRO 172 Ca 0.01 0.18 0.03 0.00 -0.04 0.00 0.00 63.50 63.69 3ias n PRO 172 Cb 0.15 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.06 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 -1.44 0.00 -4.60 0.54 3.01 -1.26 -4.57 117.46 109.14 3ias n PHE 173 Ca 0.05 0.00 -0.27 0.00 1.01 0.00 0.00 57.45 58.25 3ias n PHE 173 Cb 0.18 -0.13 -0.17 0.00 -0.01 0.00 0.00 39.48 39.35 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 -2.36 1.35 -0.18 -4.37 1.01 -1.25 -1.68 120.40 112.93 3ias s VAL 174 Ca -0.02 -0.58 -0.02 0.00 0.00 0.00 0.00 61.98 61.35 3ias s VAL 174 Cb 0.04 -1.22 -0.01 0.00 0.00 0.00 0.00 36.38 35.19 3ias s VAL 174 CO 0.27 0.41 -0.07 -0.51 0.00 0.00 0.00 175.10 175.19 3ias s ILE 175 N 0.76 3.33 -0.20 2.22 2.07 -0.54 -0.99 121.20 127.85 3ias s ILE 175 Ca -0.12 -0.53 -0.08 0.00 -1.41 0.00 0.00 60.65 58.51 3ias s ILE 175 Cb -0.16 -2.47 -0.04 0.00 0.13 0.00 0.00 42.46 39.93 3ias s ILE 175 CO 0.02 0.47 0.08 -0.22 -1.91 0.00 0.00 174.94 173.38 3ias s LEU 176 N 0.89 3.81 -0.49 8.50 2.96 -0.96 -2.03 118.68 131.37 3ias s LEU 176 Ca -0.02 0.05 -0.02 0.00 -0.22 0.00 0.00 54.13 53.93 3ias s LEU 176 Cb -0.15 -1.98 0.13 0.00 0.50 0.00 0.00 46.19 44.69 3ias s LEU 176 CO 0.01 0.13 0.29 -0.62 -1.32 0.00 0.00 176.35 174.83 3ias s ASP 177 N 0.62 5.13 0.27 3.68 -1.08 0.13 -1.41 116.67 124.02 3ias s ASP 177 Ca 0.04 -2.43 -0.01 0.00 -0.52 0.00 0.00 52.55 49.63 3ias s ASP 177 Cb -0.13 -1.81 0.46 0.00 -1.46 0.00 0.00 42.92 39.98 3ias s ASP 177 CO 0.01 -0.44 1.87 0.03 0.52 0.00 0.00 175.17 177.16 3ias h ARG 178 N 7.51 1.09 -0.73 4.34 3.08 -1.86 -2.91 114.38 124.90 3ias h ARG 178 Ca -0.08 -0.07 0.14 0.00 0.07 0.00 0.00 59.98 60.04 3ias h ARG 178 Cb 1.00 -0.25 -0.09 0.00 0.08 0.00 0.00 29.97 30.71 3ias h ARG 178 CO 0.69 0.72 0.28 1.49 -1.07 0.00 0.00 179.97 182.08 3ias h GLU 179 N 1.12 0.41 0.35 0.04 4.81 -1.91 -3.03 114.58 116.37 3ias h GLU 179 Ca 0.45 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.64 3ias h GLU 179 Cb 0.27 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.56 3ias h GLU 179 CO -0.20 0.27 -0.17 0.00 -0.73 0.00 0.00 179.01 178.18 3ias h ARG 180 N 0.42 -0.45 -1.01 1.92 3.08 -1.87 -3.42 114.38 113.06 3ias h ARG 180 Ca 0.40 0.03 -0.12 0.00 0.07 0.00 0.00 59.98 60.35 3ias h ARG 180 Cb 0.60 0.10 0.01 0.00 0.08 0.00 0.00 29.97 30.76 3ias h ARG 180 CO -0.40 -0.16 -0.03 0.00 -1.07 0.00 0.00 179.97 178.31 3ias n ILE 182 N 0.14 0.01 -2.91 0.00 -5.35 -1.26 -5.00 119.36 104.99 3ias n ILE 182 Ca 0.03 -0.50 -0.11 0.00 -0.27 0.00 0.00 62.75 61.90 3ias n ILE 182 Cb 0.03 1.26 0.03 0.00 -1.74 0.00 0.00 39.64 39.22 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 0.71 -1.24 -1.44 4.28 8.25 -1.26 -5.03 115.22 119.49 3ias n HIS 183 Ca 0.07 0.42 -0.29 0.00 -0.26 0.00 0.00 57.72 57.66 3ias n HIS 183 Cb 0.32 -2.82 0.14 0.00 1.12 0.00 0.00 29.99 28.75 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 -3.85 2.64 -0.34 0.00 4.81 -1.26 -4.76 118.16 115.40 3ias n LYS 185 Ca 0.06 -2.31 -0.10 0.00 -0.87 0.00 0.00 58.31 55.09 3ias n LYS 185 Cb 0.59 -1.43 -0.09 0.00 0.02 0.00 0.00 35.03 34.11 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 3.38 -0.04 0.60 1.64 3.08 -1.92 -0.31 114.38 120.80 3ias h ARG 186 Ca 0.00 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.02 3ias h ARG 186 Cb 0.87 0.01 0.01 0.00 0.08 0.00 0.00 29.97 30.93 3ias h ARG 186 CO 0.00 -0.03 -0.29 0.00 -1.07 0.00 0.00 179.97 178.58 3ias h VAL 188 N -0.87 1.07 -0.20 0.00 -1.51 -1.78 -1.49 116.25 111.47 3ias h VAL 188 Ca -0.08 -0.29 0.00 0.00 -1.23 0.00 0.00 66.70 65.10 3ias h VAL 188 Cb 0.64 0.16 -0.01 0.00 -2.13 0.00 0.00 31.29 29.95 3ias h VAL 188 CO 0.13 0.15 0.13 -0.09 -1.23 0.00 0.00 177.57 176.66 3ias h ARG 189 N 0.83 0.26 -0.38 5.19 2.43 -0.94 -2.47 114.38 119.31 3ias h ARG 189 Ca 0.29 -0.02 0.08 0.00 -0.81 0.00 0.00 59.98 59.52 3ias h ARG 189 Cb 0.06 -0.06 -0.07 0.00 -0.42 0.00 0.00 29.97 29.47 3ias h ARG 189 CO -0.12 0.19 -0.11 -0.92 -1.51 0.00 0.00 179.97 177.50 3ias h TYR 190 N 0.25 -0.25 -0.24 2.20 3.20 0.18 -2.42 116.97 119.90 3ias h TYR 190 Ca 0.07 0.04 0.05 0.00 3.14 0.00 0.00 58.73 62.03 3ias h TYR 190 Cb -0.01 0.17 -0.05 0.00 1.54 0.00 0.00 36.73 38.38 3ias h TYR 190 CO -0.06 -0.18 -0.10 0.74 -1.64 0.00 0.00 178.16 176.91 3ias h PHE 191 N -0.02 -0.25 0.00 -3.82 0.04 -0.84 0.31 116.94 112.36 3ias h PHE 191 Ca 0.19 0.03 -0.04 0.00 2.80 0.00 0.00 57.97 60.94 3ias h PHE 191 Cb 0.30 0.15 -0.01 0.00 2.20 0.00 0.00 35.95 38.59 3ias h PHE 191 CO -0.36 -0.16 -0.17 1.05 -0.60 0.00 0.00 178.31 178.07 3ias h GLU 192 N -0.07 0.00 0.00 1.51 -0.00 -1.36 0.08 114.58 114.74 3ias h GLU 192 Ca 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.48 3ias h GLU 192 Cb 0.26 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.01 3ias h GLU 192 CO -0.28 0.17 -0.35 0.39 -0.00 0.00 0.00 179.01 178.94 3ias n GLU 193 N -3.42 0.23 0.06 1.06 1.02 -0.49 -4.13 120.64 114.96 3ias n GLU 193 Ca -0.00 0.25 -0.02 0.00 -0.02 0.00 0.00 57.16 57.36 3ias n GLU 193 Cb 0.36 -1.08 -0.01 0.00 -0.02 0.00 0.00 31.44 30.68 3ias n GLU 193 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3ias h VAL 194 N -0.48 0.00 -0.02 2.62 2.07 -0.61 -3.37 116.25 116.46 3ias h VAL 194 Ca 0.00 -0.10 -0.21 0.00 0.82 0.00 0.00 66.70 67.21 3ias h VAL 194 Cb 0.35 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.12 3ias h VAL 194 CO 0.00 0.00 -0.87 1.55 0.02 0.00 0.00 177.57 178.27 3ias h PRO 195 N -0.26 0.38 0.00 1.57 0.13 -1.69 -3.44 132.00 128.69 3ias h PRO 195 Ca -0.02 -0.38 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 3ias h PRO 195 Cb 0.12 0.10 0.00 0.00 0.13 0.00 0.00 31.00 31.35 3ias h PRO 195 CO 0.03 1.05 0.00 0.41 -0.23 0.00 0.00 178.00 179.25 3ias n GLY 196 N 0.82 0.81 2.91 1.56 0.00 -0.05 -5.00 105.19 106.24 3ias n GLY 196 Ca -0.06 -0.53 -0.29 0.00 0.00 0.00 0.00 46.02 45.14 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 -2.51 4.34 -0.90 1.61 1.01 -0.81 -4.91 116.67 114.51 3ias s ASP 197 Ca 0.00 -3.18 -0.25 0.00 0.71 0.00 0.00 52.55 49.83 3ias s ASP 197 Cb 0.00 -1.58 -0.05 0.00 1.01 0.00 0.00 42.92 42.30 3ias s ASP 197 CO 0.00 -0.20 1.96 -1.61 0.21 0.00 0.00 175.17 175.53 3ias s GLU 198 N -0.51 2.52 -0.31 8.23 2.02 -1.26 -4.67 118.70 124.72 3ias s GLU 198 Ca 0.19 -0.27 0.10 0.00 0.02 0.00 0.00 54.97 55.01 3ias s GLU 198 Cb -0.21 -5.05 0.46 0.00 0.10 0.00 0.00 34.13 29.43 3ias s GLU 198 CO -0.04 -3.42 1.15 1.33 0.02 0.00 0.00 175.26 174.30 3ias n VAL 199 N 7.91 2.22 0.00 2.63 0.24 -1.26 -4.98 118.33 125.09 3ias n VAL 199 Ca 0.40 -4.04 0.00 0.00 -2.04 0.00 0.00 64.34 58.66 3ias n VAL 199 Cb 0.47 -0.64 0.00 0.00 -1.47 0.00 0.00 33.84 32.20 3ias n VAL 199 CO 0.00 0.00 0.00 -0.11 -2.14 0.00 0.00 176.83 174.58 3ias n LEU 200 N -0.63 0.00 0.00 1.34 7.94 -1.26 -4.78 117.00 119.61 3ias n LEU 200 Ca 0.35 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.25 3ias n LEU 200 Cb 0.89 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.84 3ias n LEU 200 CO 0.32 0.00 0.00 -0.67 -1.11 0.00 0.00 177.39 175.93 3ias n ASP 201 N 0.00 0.00 -4.72 1.96 -0.08 -0.95 -4.76 116.55 108.00 3ias n ASP 201 Ca 0.00 0.00 -0.36 0.00 -1.51 0.00 0.00 54.79 52.92 3ias n ASP 201 Cb 0.00 0.00 0.08 0.00 2.34 0.00 0.00 41.12 43.54 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 -0.38 1.83 0.00 -0.67 3.72 -1.25 -2.42 117.46 118.28 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 -2.24 0.00 0.00 -0.94 0.00 0.00 39.48 36.30 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 -2.14 0.00 0.00 4.37 2.08 0.81 -4.86 119.36 119.62 3ias n ILE 203 Ca 0.16 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.47 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 1.63 -4.49 0.38 1.02 -1.26 -4.82 120.64 113.10 3ias n GLU 204 Ca 0.00 0.00 -0.25 0.00 -0.02 0.00 0.00 57.16 56.89 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 1.86 3.75 3.49 1.70 -1.26 -4.40 118.95 124.09 3ias s ARG 205 Ca 0.00 -2.12 0.00 0.00 -0.47 0.00 0.00 55.73 53.14 3ias s ARG 205 Cb 0.00 -0.63 0.00 0.00 -0.57 0.00 0.00 34.95 33.75 3ias s ARG 205 CO 0.00 -0.43 0.00 0.41 -1.08 0.00 0.00 175.30 174.20 3ias n GLY 206 N -0.85 0.60 0.00 3.88 0.00 -1.26 -2.39 105.19 105.16 3ias n GLY 206 Ca -0.05 -0.79 0.03 0.00 0.00 0.00 0.00 46.02 45.21 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 1.26 0.57 1.61 0.24 -1.26 -2.58 118.33 118.17 3ias n VAL 207 Ca 0.00 0.32 0.11 0.00 -2.04 0.00 0.00 64.34 62.72 3ias n VAL 207 Cb 0.00 -1.21 -0.11 0.00 -1.47 0.00 0.00 33.84 31.05 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 -1.40 0.04 -0.93 6.34 8.25 -1.00 -4.99 115.22 121.53 3ias n HIS 208 Ca 0.02 0.01 -0.34 0.00 -0.26 0.00 0.00 57.72 57.16 3ias n HIS 208 Cb 0.06 -0.25 0.11 0.00 1.12 0.00 0.00 29.99 31.03 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 -1.85 0.59 -3.76 1.59 -2.24 -1.06 -4.63 114.28 102.92 3ias n THR 209 Ca 0.01 -0.24 -0.06 0.00 -2.27 0.00 0.00 64.05 61.50 3ias n THR 209 Cb 0.43 -0.71 -0.02 0.00 -2.10 0.00 0.00 70.33 67.94 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 -2.27 -0.19 -0.01 4.78 -0.12 -1.26 -4.89 117.98 114.02 3ias s PHE 210 Ca 0.60 -0.15 -0.25 0.00 -0.05 0.00 0.00 56.93 57.08 3ias s PHE 210 Cb -0.25 0.65 -0.04 0.00 -0.63 0.00 0.00 43.02 42.75 3ias s PHE 210 CO 0.64 -0.96 0.76 0.42 -0.05 0.00 0.00 175.22 176.03 3ias s ILE 211 N -3.54 4.89 0.28 -4.49 -1.09 -1.26 -0.13 121.20 115.86 3ias s ILE 211 Ca 0.11 1.60 -0.09 0.00 -2.23 0.00 0.00 60.65 60.04 3ias s ILE 211 Cb -0.03 -4.11 -0.00 0.00 -1.58 0.00 0.00 42.46 36.74 3ias s ILE 211 CO 0.02 0.29 0.46 -0.83 -1.23 0.00 0.00 174.94 173.65 3ias s GLY 212 N 0.46 0.91 0.16 6.18 0.00 -1.02 -4.94 107.32 109.08 3ias s GLY 212 Ca 0.40 -1.15 -0.10 0.00 0.00 0.00 0.00 44.72 43.87 3ias s GLY 212 CO 0.21 -0.80 0.29 -1.08 0.00 0.00 0.00 173.10 171.72 3ias s THR 213 N -3.64 0.07 0.00 0.90 -1.32 -1.26 -2.23 115.64 108.16 3ias s THR 213 Ca 0.26 -1.31 0.00 0.00 -1.21 0.00 0.00 61.69 59.43 3ias s THR 213 Cb -0.00 -1.75 0.00 0.00 -1.51 0.00 0.00 72.50 69.24 3ias s THR 213 CO 0.13 -0.33 0.05 0.23 -2.21 0.00 0.00 174.62 172.49 3ias n MET 214 N -0.20 0.30 -3.56 7.08 2.81 -1.26 -4.92 117.12 117.36 3ias n MET 214 Ca -0.09 -0.05 -0.40 0.00 -1.81 0.00 0.00 57.70 55.35 3ias n MET 214 Cb 0.63 -0.40 -0.06 0.00 -0.71 0.00 0.00 33.22 32.68 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 -0.06 5.88 0.22 7.83 1.11 -1.26 -5.00 116.67 125.39 3ias s ASP 215 Ca 0.00 -2.89 -0.08 0.00 0.18 0.00 0.00 52.55 49.76 3ias s ASP 215 Cb 0.00 -1.99 0.18 0.00 1.07 0.00 0.00 42.92 42.17 3ias s ASP 215 CO 0.00 -0.42 1.82 -0.26 1.18 0.00 0.00 175.17 177.49 3ias h PHE 216 N 7.20 1.19 0.00 4.23 -1.00 -1.92 -2.77 116.94 123.87 3ias h PHE 216 Ca 0.05 -0.05 0.00 0.00 2.81 0.00 0.00 57.97 60.78 3ias h PHE 216 Cb 0.97 -0.37 0.00 0.00 3.61 0.00 0.00 35.95 40.16 3ias h PHE 216 CO 0.83 0.85 0.00 0.41 -1.61 0.00 0.00 178.31 178.80 3ias n GLY 217 N -1.03 -0.93 3.20 -1.45 0.00 -1.26 -4.54 105.19 99.18 3ias n GLY 217 Ca 0.08 -0.08 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 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 -1.34 -5.89 -0.04 0.99 7.99 -1.05 -4.73 117.00 112.93 3ias n LEU 218 Ca 0.07 -0.39 -0.02 0.00 -0.01 0.00 0.00 56.01 55.67 3ias n LEU 218 Cb 0.16 -3.13 -0.01 0.00 -0.11 0.00 0.00 43.42 40.32 3ias n LEU 218 CO 0.14 -0.54 0.50 -0.65 -1.51 0.00 0.00 177.39 175.33 3ias h PRO 219 N -0.23 -0.03 -6.06 3.23 0.11 -1.90 -3.46 132.00 123.66 3ias h PRO 219 Ca -0.28 0.00 -0.64 0.00 0.11 0.00 0.00 66.00 65.19 3ias h PRO 219 Cb 1.15 0.01 0.13 0.00 0.11 0.00 0.00 31.00 32.39 3ias h PRO 219 CO 0.36 -0.02 -0.61 -1.13 -0.21 0.00 0.00 178.00 176.39 3ias n SER 220 N -3.22 -1.59 -0.63 -2.05 3.41 -1.26 -4.77 113.62 103.52 3ias n SER 220 Ca -0.00 1.01 0.00 0.00 -0.26 0.00 0.00 58.87 59.62 3ias n SER 220 Cb 0.04 -0.96 0.00 0.00 -0.26 0.00 0.00 64.21 63.03 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 2.04 1.40 2.81 5.00 0.00 -1.26 -3.54 105.19 111.64 3ias n GLY 221 Ca 0.15 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.16 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 0.20 0.89 0.05 1.61 3.72 -1.26 -2.13 117.46 120.54 3ias n PHE 222 Ca 0.00 -2.14 -0.05 0.00 -0.05 0.00 0.00 57.45 55.21 3ias n PHE 222 Cb 0.27 -0.05 -0.09 0.00 -0.94 0.00 0.00 39.48 38.67 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 2.47 0.00 0.00 4.37 4.64 -1.89 -3.35 113.55 119.80 3ias h SER 223 Ca -0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.15 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 0.16 0.86 0.20 1.23 -0.87 0.00 0.00 176.83 178.41 3ias h GLY 224 N 3.29 0.00 1.66 -0.77 0.00 -1.90 -2.46 103.07 102.90 3ias h GLY 224 Ca -0.09 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.08 3ias h GLY 224 CO 0.10 0.00 -0.60 3.43 0.00 0.00 0.00 176.54 179.46 3ias h ASN 225 N 0.00 0.39 -0.21 0.19 2.35 -1.80 -2.90 115.58 113.60 3ias h ASN 225 Ca 0.00 -0.22 0.06 0.00 -0.55 0.00 0.00 56.30 55.59 3ias h ASN 225 Cb 0.39 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.64 3ias h ASN 225 CO 0.00 0.90 0.18 0.16 -1.65 0.00 0.00 177.43 177.02 3ias h ILE 226 N 0.26 0.72 -0.08 2.81 3.07 -1.72 0.41 117.51 122.98 3ias h ILE 226 Ca -0.01 0.00 -0.04 0.00 1.55 0.00 0.00 64.86 66.37 3ias h ILE 226 Cb 1.13 0.87 -0.01 0.00 -0.27 0.00 0.00 36.82 38.54 3ias h ILE 226 CO 0.10 0.00 -0.12 0.74 -1.05 0.00 0.00 178.15 177.82 3ias h THR 227 N 0.00 1.14 0.00 0.16 2.02 -1.70 -1.80 112.91 112.73 3ias h THR 227 Ca 0.10 -0.61 0.00 0.00 0.77 0.00 0.00 66.41 66.67 3ias h THR 227 Cb 0.45 1.22 0.00 0.00 -1.74 0.00 0.00 68.15 68.08 3ias h THR 227 CO -0.00 0.18 -0.40 0.47 0.37 0.00 0.00 175.52 176.15 3ias n ASP 228 N -4.33 0.41 -0.11 4.18 8.00 0.14 -4.26 116.55 120.58 3ias n ASP 228 Ca -0.02 -0.06 -0.17 0.00 0.71 0.00 0.00 54.79 55.25 3ias n ASP 228 Cb 0.23 0.08 -0.09 0.00 -0.02 0.00 0.00 41.12 41.32 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 -1.54 1.23 -1.49 0.53 5.41 -0.97 -4.95 119.36 117.58 3ias n ILE 229 Ca 0.06 -0.44 -0.55 0.00 1.00 0.00 0.00 62.75 62.82 3ias n ILE 229 Cb 0.34 -1.37 -0.08 0.00 -0.71 0.00 0.00 39.64 37.82 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 10.10 0.00 0.00 0.00 0.13 -1.91 -3.44 132.00 136.88 3ias h PRO 231 Ca -0.30 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 3ias h PRO 231 Cb 1.34 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.47 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 -4.19 0.00 -0.40 1.56 0.24 -1.26 -1.53 118.33 112.74 3ias n VAL 232 Ca 0.18 0.00 0.07 0.00 -2.04 0.00 0.00 64.34 62.55 3ias n VAL 232 Cb 0.95 0.00 0.32 0.00 -1.47 0.00 0.00 33.84 33.64 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 4.44 2.50 0.36 7.63 0.00 -1.26 -4.47 105.19 114.39 3ias n GLY 233 Ca 0.00 -0.74 -0.13 0.00 0.00 0.00 0.00 46.02 45.15 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 3.81 -0.87 -2.02 4.61 0.00 -1.91 -3.40 119.26 119.48 3ias h ALA 234 Ca 0.00 -0.19 -0.66 0.00 0.00 0.00 0.00 54.91 54.06 3ias h ALA 234 Cb 1.48 0.33 -0.16 0.00 0.00 0.00 0.00 17.79 19.44 3ias h ALA 234 CO 0.29 -0.81 0.20 -0.51 0.00 0.00 0.00 179.25 178.43 3ias s LEU 235 N -9.38 4.67 0.07 0.00 1.43 -1.26 0.18 118.68 114.38 3ias s LEU 235 Ca -0.13 -0.70 0.08 0.00 -1.03 0.00 0.00 54.13 52.35 3ias s LEU 235 Cb 0.01 -2.58 -0.03 0.00 0.03 0.00 0.00 46.19 43.62 3ias s LEU 235 CO 0.38 -0.98 -0.21 -0.76 0.23 0.00 0.00 176.35 175.01 3ias s LEU 236 N 3.03 2.22 -0.48 1.79 1.43 -0.86 -4.45 118.68 121.36 3ias s LEU 236 Ca 0.20 -0.59 -0.27 0.00 -1.03 0.00 0.00 54.13 52.44 3ias s LEU 236 Cb -0.17 -0.93 -0.03 0.00 0.03 0.00 0.00 46.19 45.09 3ias s LEU 236 CO 0.15 0.12 1.90 -0.62 0.23 0.00 0.00 176.35 178.12 3ias s ASP 237 N -1.46 5.43 0.42 2.29 -1.08 -1.26 -1.47 116.67 119.54 3ias s ASP 237 Ca 0.07 0.83 0.23 0.00 -0.52 0.00 0.00 52.55 53.16 3ias s ASP 237 Cb -0.09 -2.52 0.79 0.00 -1.46 0.00 0.00 42.92 39.63 3ias s ASP 237 CO 0.03 -2.16 1.77 0.25 0.52 0.00 0.00 175.17 175.58 3ias h LEU 238 N 15.65 0.00 -2.27 -1.34 5.85 -1.64 -2.59 115.31 128.97 3ias h LEU 238 Ca -0.29 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.43 3ias h LEU 238 Cb 1.18 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.21 3ias h LEU 238 CO 1.13 0.25 0.01 0.00 -0.34 0.00 0.00 178.44 179.50 3ias h THR 239 N 0.00 0.72 -0.43 1.05 1.03 -1.81 -2.25 112.91 111.23 3ias h THR 239 Ca -0.00 0.00 -0.32 0.00 -0.01 0.00 0.00 66.41 66.08 3ias h THR 239 Cb 0.84 0.99 -0.33 0.00 -1.07 0.00 0.00 68.15 68.58 3ias h THR 239 CO 0.03 0.00 -0.85 0.00 -0.01 0.00 0.00 175.52 174.70 3ias n ALA 240 N -2.41 3.85 -1.88 0.00 0.00 -0.99 -4.95 120.51 114.12 3ias n ALA 240 Ca -0.03 -3.27 -0.41 0.00 0.00 0.00 0.00 53.44 49.73 3ias n ALA 240 Cb 0.10 -0.51 -0.02 0.00 0.00 0.00 0.00 19.45 19.02 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 -3.15 4.33 -1.09 0.00 3.52 -0.85 -4.01 118.95 117.70 3ias s ARG 241 Ca 0.41 2.21 -0.19 0.00 -0.13 0.00 0.00 55.73 58.02 3ias s ARG 241 Cb 0.38 -3.12 -0.00 0.00 -1.56 0.00 0.00 34.95 30.64 3ias s ARG 241 CO -0.03 -0.31 0.76 1.19 -0.81 0.00 0.00 175.30 176.11 3ias n PHE 242 N 1.99 -1.94 0.02 5.12 3.01 -1.26 -4.92 117.46 119.48 3ias n PHE 242 Ca 0.05 0.49 -0.02 0.00 1.01 0.00 0.00 57.45 58.98 3ias n PHE 242 Cb 0.41 -3.34 -0.01 0.00 -0.01 0.00 0.00 39.48 36.54 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 -3.97 0.11 -4.08 -1.08 5.12 -1.26 -5.10 116.66 106.41 3ias n ARG 243 Ca -0.11 0.04 -0.08 0.00 -1.93 0.00 0.00 57.85 55.77 3ias n ARG 243 Cb 0.59 -0.69 -0.09 0.00 -1.16 0.00 0.00 32.46 31.11 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 -2.19 0.51 0.59 7.54 0.00 -1.26 -5.15 121.76 121.81 3ias s ALA 244 Ca -0.06 -1.21 -0.15 0.00 0.00 0.00 0.00 51.96 50.54 3ias s ALA 244 Cb 0.01 0.54 -0.04 0.00 0.00 0.00 0.00 23.12 23.63 3ias s ALA 244 CO 0.09 -0.45 1.04 1.03 0.00 0.00 0.00 175.76 177.47 3ias s ARG 245 N -3.96 3.44 0.59 0.00 1.81 -1.26 -4.96 118.95 114.61 3ias s ARG 245 Ca 0.13 1.05 0.31 0.00 -1.72 0.00 0.00 55.73 55.50 3ias s ARG 245 Cb 0.07 -2.06 1.84 0.00 -0.45 0.00 0.00 34.95 34.36 3ias s ARG 245 CO -0.05 -0.70 2.25 -0.91 -0.68 0.00 0.00 175.30 175.21 3ias h ASN 246 N 0.28 0.00 0.59 0.23 2.35 -1.90 -1.67 115.58 115.46 3ias h ASN 246 Ca -0.46 0.00 -0.28 0.00 -0.55 0.00 0.00 56.30 55.01 3ias h ASN 246 Cb 1.21 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.57 3ias h ASN 246 CO 0.59 0.01 -1.38 4.11 -1.65 0.00 0.00 177.43 179.11 3ias h TRP 247 N 0.00 0.37 -0.00 1.19 0.09 -1.93 -3.32 115.95 112.35 3ias h TRP 247 Ca -0.00 -0.27 0.00 0.00 0.09 0.00 0.00 58.89 58.71 3ias h TRP 247 Cb 0.03 -0.01 -0.00 0.00 0.08 0.00 0.00 29.16 29.26 3ias h TRP 247 CO 0.00 1.27 0.17 0.93 0.09 0.00 0.00 178.44 180.90 3ias h GLU 248 N 0.06 0.00 -7.09 0.12 5.08 -1.68 -3.43 114.58 107.63 3ias h GLU 248 Ca -0.18 0.00 -0.45 0.00 -1.00 0.00 0.00 59.36 57.73 3ias h GLU 248 Cb 1.97 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.22 3ias h GLU 248 CO 0.16 0.00 0.36 -1.64 -1.00 0.00 0.00 179.01 176.89 3ias s MET 249 N -4.12 4.04 -0.47 2.33 -1.94 -1.21 -4.88 119.30 113.04 3ias s MET 249 Ca -0.04 1.16 -0.14 0.00 -1.71 0.00 0.00 55.69 54.96 3ias s MET 249 Cb 0.11 -2.15 0.09 0.00 2.01 0.00 0.00 34.83 34.89 3ias s MET 249 CO 0.34 -0.20 0.38 -2.00 -0.01 0.00 0.00 175.02 173.53 3ias s GLU 250 N -3.37 2.85 0.20 2.03 2.12 0.09 -4.89 118.70 117.73 3ias s GLU 250 Ca 0.63 -1.49 -0.30 0.00 0.36 0.00 0.00 54.97 54.17 3ias s GLU 250 Cb -0.11 -4.07 -0.08 0.00 0.26 0.00 0.00 34.13 30.13 3ias s GLU 250 CO 0.19 -1.09 1.06 -1.21 -0.54 0.00 0.00 175.26 173.67 3ias s GLU 251 N 1.56 4.66 -0.36 4.30 2.02 -1.26 -1.80 118.70 127.81 3ias s GLU 251 Ca 0.04 1.67 -0.00 0.00 0.02 0.00 0.00 54.97 56.70 3ias s GLU 251 Cb -0.25 -3.27 0.12 0.00 0.10 0.00 0.00 34.13 30.83 3ias s GLU 251 CO 0.04 0.19 0.18 0.99 0.02 0.00 0.00 175.26 176.69 3ias s THR 252 N -0.56 0.67 0.24 3.63 2.01 -0.41 -4.94 115.64 116.28 3ias s THR 252 Ca 0.47 -1.79 -0.30 0.00 0.31 0.00 0.00 61.69 60.38 3ias s THR 252 Cb -0.29 -1.49 -0.10 0.00 0.01 0.00 0.00 72.50 70.63 3ias s THR 252 CO 0.35 -0.86 1.42 -2.16 -0.69 0.00 0.00 174.62 172.68 3ias s PRO 253 N 1.09 4.29 0.00 4.92 0.04 -1.26 -2.13 135.00 141.95 3ias s PRO 253 Ca 0.15 2.25 0.00 0.00 0.04 0.00 0.00 61.00 63.44 3ias s PRO 253 Cb -0.21 -3.13 0.00 0.00 0.04 0.00 0.00 34.50 31.20 3ias s PRO 253 CO -0.10 -0.39 0.00 -2.37 0.04 0.00 0.00 177.00 174.18 3ias n THR 254 N 2.45 0.00 -4.79 1.26 5.66 0.00 -4.27 114.28 114.59 3ias n THR 254 Ca 0.07 0.00 -0.26 0.00 -3.05 0.00 0.00 64.05 60.80 3ias n THR 254 Cb 0.41 0.00 -0.16 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 -2.84 1.41 0.07 1.09 2.01 -1.25 -1.65 115.64 114.48 3ias s THR 255 Ca 0.00 -0.66 -0.31 0.00 0.31 0.00 0.00 61.69 61.03 3ias s THR 255 Cb 0.00 -1.24 -0.06 0.00 0.01 0.00 0.00 72.50 71.21 3ias s THR 255 CO 0.00 0.41 1.28 0.00 -0.69 0.00 0.00 174.62 175.62 3ias n ALA 257 N 4.03 4.30 0.09 0.00 0.00 -1.26 -4.01 120.51 123.66 3ias n ALA 257 Ca 0.10 -3.53 -0.05 0.00 0.00 0.00 0.00 53.44 49.96 3ias n ALA 257 Cb 0.45 -0.34 0.01 0.00 0.00 0.00 0.00 19.45 19.57 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 1.54 0.02 -8.63 0.00 3.38 -1.97 -3.44 115.31 106.21 3ias h LEU 258 Ca 0.17 -0.02 -0.30 0.00 0.09 0.00 0.00 57.88 57.82 3ias h LEU 258 Cb 1.25 -0.01 -0.12 0.00 0.09 0.00 0.00 40.66 41.88 3ias h LEU 258 CO 0.35 0.84 -0.40 0.00 0.09 0.00 0.00 178.44 179.33 3ias h PRO 260 N 2.28 0.00 0.00 0.00 0.11 -1.80 -3.24 132.00 129.34 3ias h PRO 260 Ca -0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.82 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 0.41 0.02 0.00 1.33 -0.21 0.00 0.00 178.00 179.56 3ias n VAL 261 N -3.13 0.82 -4.11 3.15 0.24 -1.26 -2.12 118.33 111.92 3ias n VAL 261 Ca 0.00 0.21 -0.41 0.00 -2.04 0.00 0.00 64.34 62.10 3ias n VAL 261 Cb 0.29 -1.14 -0.01 0.00 -1.47 0.00 0.00 33.84 31.51 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 0.04 -0.64 3.46 7.63 0.00 -1.23 -4.73 105.19 109.73 3ias n GLY 262 Ca 0.02 0.29 -0.32 0.00 0.00 0.00 0.00 46.02 46.02 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 -2.18 1.94 0.30 0.00 0.00 -1.26 -2.30 107.32 103.82 3ias s GLY 264 Ca 0.61 -0.61 0.07 0.00 0.00 0.00 0.00 44.72 44.79 3ias s GLY 264 CO 0.65 1.05 -0.06 -0.26 0.00 0.00 0.00 173.10 174.48 3ias s ILE 265 N 1.92 1.80 -0.05 0.90 -4.36 -0.66 -0.07 121.20 120.68 3ias s ILE 265 Ca 0.20 -2.14 0.04 0.00 -0.26 0.00 0.00 60.65 58.49 3ias s ILE 265 Cb -0.15 -2.54 -0.00 0.00 1.25 0.00 0.00 42.46 41.01 3ias s ILE 265 CO 0.09 -0.25 -0.19 -0.89 0.24 0.00 0.00 174.94 173.94 3ias s THR 266 N -2.90 1.61 -0.24 8.37 2.01 -0.68 -0.82 115.64 122.99 3ias s THR 266 Ca 0.31 -0.80 -0.05 0.00 0.31 0.00 0.00 61.69 61.46 3ias s THR 266 Cb 0.04 -1.38 -0.01 0.00 0.01 0.00 0.00 72.50 71.16 3ias s THR 266 CO 0.14 0.46 -0.01 0.00 -0.69 0.00 0.00 174.62 174.51 3ias s ALA 267 N 0.09 2.89 -0.13 7.40 0.00 -0.91 -1.77 121.76 129.33 3ias s ALA 267 Ca -0.06 -1.23 -0.22 0.00 0.00 0.00 0.00 51.96 50.44 3ias s ALA 267 Cb -0.13 -1.83 -0.03 0.00 0.00 0.00 0.00 23.12 21.13 3ias s ALA 267 CO 0.03 -0.55 0.65 -0.51 0.00 0.00 0.00 175.76 175.38 3ias s ASP 268 N 1.49 6.83 0.00 0.00 1.01 -0.61 -1.29 116.67 124.11 3ias s ASP 268 Ca 0.05 1.00 0.00 0.00 0.71 0.00 0.00 52.55 54.31 3ias s ASP 268 Cb -0.15 -2.37 -0.00 0.00 1.01 0.00 0.00 42.92 41.41 3ias s ASP 268 CO -0.02 -0.18 -0.00 0.42 0.21 0.00 0.00 175.17 175.61 3ias s THR 269 N 1.27 0.02 -0.06 -1.27 -4.23 -0.74 -2.18 115.64 108.44 3ias s THR 269 Ca 0.33 -0.08 -0.03 0.00 -1.18 0.00 0.00 61.69 60.73 3ias s THR 269 Cb -0.16 -0.04 0.04 0.00 1.34 0.00 0.00 72.50 73.68 3ias s THR 269 CO 0.14 -0.04 0.11 -0.60 -0.54 0.00 0.00 174.62 173.68 3ias s ARG 270 N -0.13 -0.02 -1.15 3.99 3.52 -1.00 -0.73 118.95 123.43 3ias s ARG 270 Ca -0.01 0.45 -0.06 0.00 -0.13 0.00 0.00 55.73 55.97 3ias s ARG 270 Cb -0.01 -0.45 0.01 0.00 -1.56 0.00 0.00 34.95 32.94 3ias s ARG 270 CO -0.00 -0.33 1.00 0.43 -0.81 0.00 0.00 175.30 175.58 3ias n SER 271 N 5.31 -5.11 0.00 -2.12 7.64 -1.26 -3.18 113.62 114.90 3ias n SER 271 Ca -0.04 -0.48 0.00 0.00 1.01 0.00 0.00 58.87 59.36 3ias n SER 271 Cb 0.50 -4.44 0.00 0.00 -1.01 0.00 0.00 64.21 59.26 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 -1.68 0.61 3.37 0.23 0.00 -1.24 -4.98 105.19 101.49 3ias n GLY 272 Ca -0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.68 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 1.82 -0.38 1.61 -1.05 -1.19 -1.08 118.70 118.28 3ias s GLU 273 Ca 0.00 -1.10 -0.23 0.00 -0.15 0.00 0.00 54.97 53.49 3ias s GLU 273 Cb 0.00 -2.01 0.01 0.00 -0.44 0.00 0.00 34.13 31.69 3ias s GLU 273 CO 0.00 0.51 0.75 -1.17 0.95 0.00 0.00 175.26 176.30 3ias s LEU 274 N -1.33 4.18 -0.18 1.83 2.96 -1.26 -2.37 118.68 122.50 3ias s LEU 274 Ca 0.12 0.24 -0.17 0.00 -0.22 0.00 0.00 54.13 54.10 3ias s LEU 274 Cb -0.10 -2.96 -0.14 0.00 0.50 0.00 0.00 46.19 43.49 3ias s LEU 274 CO 0.03 -0.73 0.09 -0.07 -1.32 0.00 0.00 176.35 174.35 3ias h LEU 275 N 9.72 0.00 -7.68 -0.68 -0.00 -1.82 -3.47 115.31 111.38 3ias h LEU 275 Ca -0.25 -0.34 -0.10 0.00 -0.00 0.00 0.00 57.88 57.19 3ias h LEU 275 Cb 1.10 0.00 -0.17 0.00 -0.00 0.00 0.00 40.66 41.59 3ias h LEU 275 CO 0.90 1.24 -0.34 -0.60 -0.00 0.00 0.00 178.44 179.64 3ias s ARG 276 N -2.31 0.75 -0.00 1.13 3.52 -1.19 -4.34 118.95 116.51 3ias s ARG 276 Ca -0.24 -0.63 0.07 0.00 -0.13 0.00 0.00 55.73 54.81 3ias s ARG 276 Cb 0.04 0.32 -0.02 0.00 -1.56 0.00 0.00 34.95 33.73 3ias s ARG 276 CO 0.46 -0.23 -0.22 0.42 -0.81 0.00 0.00 175.30 174.92 3ias s ILE 277 N -2.73 1.76 0.21 4.11 -1.09 -1.26 -1.57 121.20 120.63 3ias s ILE 277 Ca -0.04 -1.02 0.01 0.00 -2.23 0.00 0.00 60.65 57.37 3ias s ILE 277 Cb -0.00 -1.47 -0.05 0.00 -1.58 0.00 0.00 42.46 39.36 3ias s ILE 277 CO -0.05 0.43 0.08 -0.13 -1.23 0.00 0.00 174.94 174.05 3ias s ARG 278 N -0.68 1.23 0.41 2.79 0.52 -0.73 -4.96 118.95 117.53 3ias s ARG 278 Ca 0.09 -1.64 -0.23 0.00 -0.52 0.00 0.00 55.73 53.43 3ias s ARG 278 Cb -0.09 -0.07 -0.09 0.00 0.52 0.00 0.00 34.95 35.22 3ias s ARG 278 CO -0.00 -0.28 1.04 0.00 0.02 0.00 0.00 175.30 176.09 3ias s ALA 279 N -3.87 3.05 -0.12 2.13 0.00 -1.26 -1.69 121.76 120.00 3ias s ALA 279 Ca 0.33 0.67 0.02 0.00 0.00 0.00 0.00 51.96 52.98 3ias s ALA 279 Cb 0.07 -3.26 0.01 0.00 0.00 0.00 0.00 23.12 19.94 3ias s ALA 279 CO 0.10 -0.22 -0.17 0.50 0.00 0.00 0.00 175.76 175.97 3ias s ARG 280 N -2.64 2.39 -0.04 0.00 3.52 0.90 -4.55 118.95 118.52 3ias s ARG 280 Ca 0.60 -0.62 -0.30 0.00 -0.13 0.00 0.00 55.73 55.28 3ias s ARG 280 Cb -0.21 -2.01 -0.06 0.00 -1.56 0.00 0.00 34.95 31.12 3ias s ARG 280 CO 0.26 -0.06 1.67 -2.00 -0.81 0.00 0.00 175.30 174.36 3ias s GLU 281 N 0.97 4.18 -0.42 5.12 2.12 -1.26 -4.38 118.70 125.03 3ias s GLU 281 Ca -0.06 2.22 0.07 0.00 0.36 0.00 0.00 54.97 57.56 3ias s GLU 281 Cb -0.15 -3.97 0.25 0.00 0.26 0.00 0.00 34.13 30.52 3ias s GLU 281 CO -0.02 -0.84 0.64 1.55 -0.54 0.00 0.00 175.26 176.05 3ias n VAL 282 N 5.42 -0.48 0.16 3.70 3.14 -0.86 -5.03 118.33 124.40 3ias n VAL 282 Ca 0.17 -3.19 0.19 0.00 -2.96 0.00 0.00 64.34 58.55 3ias n VAL 282 Cb 0.43 -0.83 0.78 0.00 -1.06 0.00 0.00 33.84 33.16 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 4.01 0.00 -0.32 1.45 0.13 -1.70 -1.73 132.00 133.83 3ias h PRO 283 Ca 0.00 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 65.15 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 0.42 0.00 0.17 0.93 -0.23 0.00 0.00 178.00 179.28 3ias h GLU 284 N 0.00 0.34 0.00 0.86 4.39 -1.96 -3.43 114.58 114.78 3ias h GLU 284 Ca 0.13 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.81 3ias h GLU 284 Cb 0.87 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.44 3ias h GLU 284 CO -0.00 0.22 0.00 1.55 -1.16 0.00 0.00 179.01 179.62 3ias n VAL 285 N -4.94 0.00 -2.44 3.13 3.14 -0.65 -4.49 118.33 112.08 3ias n VAL 285 Ca -0.00 0.00 -0.40 0.00 -2.96 0.00 0.00 64.34 60.98 3ias n VAL 285 Cb 0.07 0.00 -0.04 0.00 -1.06 0.00 0.00 33.84 32.81 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 -0.81 7.09 0.00 6.55 4.22 -1.24 -4.97 114.94 125.77 3ias s ASN 286 Ca 0.00 2.27 0.00 0.00 -2.14 0.00 0.00 52.86 52.99 3ias s ASN 286 Cb 0.00 -2.62 0.00 0.00 1.28 0.00 0.00 41.25 39.91 3ias s ASN 286 CO 0.00 -0.27 0.05 -0.62 -2.04 0.00 0.00 177.10 174.22 3ias n GLU 287 N 0.86 0.00 -0.24 3.55 1.02 -1.26 -3.86 120.64 120.72 3ias n GLU 287 Ca 0.00 0.00 0.03 0.00 -0.02 0.00 0.00 57.16 57.17 3ias n GLU 287 Cb 0.45 -0.34 0.04 0.00 -0.02 0.00 0.00 31.44 31.57 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 -0.24 0.62 -4.08 -3.67 -5.35 -1.26 -2.02 119.36 103.35 3ias n ILE 288 Ca 0.00 -0.72 -0.24 0.00 -0.27 0.00 0.00 62.75 61.52 3ias n ILE 288 Cb 0.00 0.39 -0.05 0.00 -1.74 0.00 0.00 39.64 38.25 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 -0.88 3.16 -0.12 4.28 0.23 -1.26 -4.74 118.94 119.61 3ias s TRP 289 Ca 0.09 -0.05 -0.08 0.00 -2.03 0.00 0.00 56.10 54.03 3ias s TRP 289 Cb 0.07 -1.48 0.04 0.00 0.03 0.00 0.00 33.47 32.14 3ias s TRP 289 CO 0.01 0.52 0.30 0.42 0.96 0.00 0.00 176.95 179.15 3ias s ILE 290 N -1.92 -0.02 0.75 2.03 -1.09 -1.26 -4.87 121.20 114.81 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 -0.09 -0.44 0.04 0.00 -1.58 0.00 0.00 42.46 40.39 3ias s ILE 290 CO 0.25 0.03 1.08 0.00 -1.23 0.00 0.00 174.94 175.07 3ias h ASP 292 N -0.99 0.78 -0.86 0.00 3.32 -1.79 -2.35 116.42 114.53 3ias h ASP 292 Ca -0.44 -0.06 0.10 0.00 0.02 0.00 0.00 57.03 56.65 3ias h ASP 292 Cb 1.23 -0.20 -0.06 0.00 0.22 0.00 0.00 39.33 40.52 3ias h ASP 292 CO 0.53 0.61 0.56 0.00 -1.72 0.00 0.00 179.24 179.22 3ias h ALA 293 N 1.20 1.69 -0.01 3.45 0.00 -1.93 0.76 119.26 124.43 3ias h ALA 293 Ca 0.23 -0.00 -0.14 0.00 0.00 0.00 0.00 54.91 55.00 3ias h ALA 293 Cb -0.02 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 3ias h ALA 293 CO -0.04 0.12 -0.67 0.78 0.00 0.00 0.00 179.25 179.44 3ias h GLY 294 N 0.82 0.04 0.10 0.00 0.00 -1.80 -2.75 103.07 99.48 3ias h GLY 294 Ca 0.40 -0.05 -0.20 0.00 0.00 0.00 0.00 47.33 47.48 3ias h GLY 294 CO -0.17 0.05 -2.14 -2.13 0.00 0.00 0.00 176.54 172.15 3ias n ARG 295 N -3.76 0.67 0.00 4.80 0.63 -0.16 -4.43 116.66 114.41 3ias n ARG 295 Ca -0.01 -0.06 0.05 0.00 -0.92 0.00 0.00 57.85 56.90 3ias n ARG 295 Cb 0.66 -1.55 -0.03 0.00 0.45 0.00 0.00 32.46 31.99 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 -2.57 0.00 -2.61 -0.14 3.72 0.25 -4.39 117.46 111.72 3ias n PHE 296 Ca -0.19 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.79 3ias n PHE 296 Cb 0.89 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 39.45 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 1.07 5.51 0.00 1.37 0.00 -1.04 -4.08 105.19 108.02 3ias n GLY 297 Ca 0.03 -2.46 0.00 0.00 0.00 0.00 0.00 46.02 43.59 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 1.16 0.00 -0.27 1.61 1.44 -1.26 -4.78 115.22 113.12 3ias n HIS 298 Ca 0.42 -0.13 -0.01 0.00 -2.01 0.00 0.00 57.72 55.98 3ias n HIS 298 Cb 0.29 -0.01 0.18 0.00 0.12 0.00 0.00 29.99 30.57 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 1.11 0.15 -1.40 4.39 -1.87 -3.27 114.58 113.70 3ias h GLU 299 Ca 0.00 -0.09 -0.29 0.00 0.34 0.00 0.00 59.36 59.32 3ias h GLU 299 Cb 0.78 -0.24 0.01 0.00 -0.10 0.00 0.00 28.75 29.21 3ias h GLU 299 CO 0.00 0.77 -1.29 0.11 -1.16 0.00 0.00 179.01 177.45 3ias h TRP 300 N 1.13 0.61 -0.04 4.33 5.08 -1.86 -3.35 115.95 121.84 3ias h TRP 300 Ca 0.30 -0.44 0.04 0.00 1.08 0.00 0.00 58.89 59.86 3ias h TRP 300 Cb -0.06 -0.03 -0.05 0.00 -3.00 0.00 0.00 29.16 26.03 3ias h TRP 300 CO 0.00 1.34 -0.31 0.00 -1.28 0.00 0.00 178.44 178.20 3ias h ALA 301 N 0.49 -0.41 -0.01 0.11 0.00 -1.91 -2.88 119.26 114.65 3ias h ALA 301 Ca -0.16 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3ias h ALA 301 Cb 2.00 0.56 0.00 0.00 0.00 0.00 0.00 17.79 20.35 3ias h ALA 301 CO 0.22 -0.81 -0.02 -0.40 0.00 0.00 0.00 179.25 178.25 3ias n ASP 302 N -5.40 1.14 0.00 0.00 5.68 -1.26 -4.78 116.55 111.93 3ias n ASP 302 Ca -0.04 -1.34 0.00 0.00 -0.50 0.00 0.00 54.79 52.91 3ias n ASP 302 Cb 0.32 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.30 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 -0.14 0.00 -2.22 0.11 -0.06 -1.09 -4.89 117.38 109.10 3ias n GLN 303 Ca 0.19 0.00 -0.42 0.00 -2.00 0.00 0.00 57.00 54.78 3ias n GLN 303 Cb 0.30 0.00 -0.03 0.00 -4.06 0.00 0.00 30.24 26.45 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 6.88 -0.09 1.69 0.01 -1.26 -4.99 114.94 116.19 3ias s ASN 304 Ca 0.00 2.32 -0.31 0.00 -0.71 0.00 0.00 52.86 54.16 3ias s ASN 304 Cb 0.00 -2.59 0.09 0.00 0.41 0.00 0.00 41.25 39.16 3ias s ASN 304 CO 0.00 -0.58 0.79 -0.60 -1.51 0.00 0.00 177.10 175.20 3ias s ARG 305 N 0.64 0.90 -0.28 -0.60 3.52 -1.26 -4.90 118.95 116.97 3ias s ARG 305 Ca 0.61 0.22 -0.29 0.00 -0.13 0.00 0.00 55.73 56.14 3ias s ARG 305 Cb -0.36 0.42 0.01 0.00 -1.56 0.00 0.00 34.95 33.47 3ias s ARG 305 CO 0.33 -0.28 1.06 -1.17 -0.81 0.00 0.00 175.30 174.43 3ias s LEU 306 N -1.17 4.01 0.00 -0.88 2.96 -0.70 -4.93 118.68 117.98 3ias s LEU 306 Ca -0.08 1.21 0.08 0.00 -0.22 0.00 0.00 54.13 55.13 3ias s LEU 306 Cb -0.00 -3.54 -0.06 0.00 0.50 0.00 0.00 46.19 43.09 3ias s LEU 306 CO 0.07 -0.78 0.43 0.29 -1.32 0.00 0.00 176.35 175.04 3ias n LYS 307 N 6.61 3.55 -3.77 1.98 5.02 -1.26 -4.69 118.16 125.59 3ias n LYS 307 Ca 0.12 -0.19 -0.13 0.00 -2.02 0.00 0.00 58.31 56.09 3ias n LYS 307 Cb 0.47 -0.94 -0.14 0.00 -0.02 0.00 0.00 35.03 34.39 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 -1.60 -0.04 0.39 -0.18 -4.23 -1.26 -1.34 115.64 107.38 3ias s THR 308 Ca 0.05 0.13 -0.26 0.00 -1.18 0.00 0.00 61.69 60.43 3ias s THR 308 Cb 0.07 -0.22 -0.11 0.00 1.34 0.00 0.00 72.50 73.57 3ias s THR 308 CO 0.30 0.05 1.20 -0.81 -0.54 0.00 0.00 174.62 174.82 3ias n PRO 309 N 3.87 1.80 -4.73 3.99 -0.04 -1.26 -4.76 135.00 133.88 3ias n PRO 309 Ca -0.23 0.64 -0.31 0.00 -0.04 0.00 0.00 63.50 63.56 3ias n PRO 309 Cb 0.54 -2.25 -0.13 0.00 -0.04 0.00 0.00 33.50 31.62 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 -1.09 2.57 0.03 1.53 1.43 0.15 -1.39 118.68 121.91 3ias s LEU 310 Ca 0.60 -0.41 0.02 0.00 -1.03 0.00 0.00 54.13 53.31 3ias s LEU 310 Cb -0.55 -1.50 -0.02 0.00 0.03 0.00 0.00 46.19 44.15 3ias s LEU 310 CO 0.59 0.27 -0.06 0.54 0.23 0.00 0.00 176.35 177.92 3ias s VAL 311 N -0.88 0.40 -0.06 -1.59 0.11 -1.00 -1.21 120.40 116.17 3ias s VAL 311 Ca 0.14 -0.95 -0.29 0.00 -2.93 0.00 0.00 61.98 57.95 3ias s VAL 311 Cb -0.10 -0.48 -0.02 0.00 -1.53 0.00 0.00 36.38 34.24 3ias s VAL 311 CO 0.04 -0.37 0.95 -0.60 -3.33 0.00 0.00 175.10 171.80 3ias s ARG 312 N -1.41 4.47 0.00 1.54 3.52 -1.03 -1.67 118.95 124.36 3ias s ARG 312 Ca -0.10 1.33 0.00 0.00 -0.13 0.00 0.00 55.73 56.82 3ias s ARG 312 Cb -0.09 -3.50 0.00 0.00 -1.56 0.00 0.00 34.95 29.80 3ias s ARG 312 CO -0.00 -0.17 0.00 1.17 -0.81 0.00 0.00 175.30 175.49 3ias n LYS 313 N 4.46 0.00 -3.23 5.12 3.00 -0.75 -4.90 118.16 121.86 3ias n LYS 313 Ca 0.06 0.00 -0.39 0.00 -0.00 0.00 0.00 58.31 57.98 3ias n LYS 313 Cb 0.50 0.00 -0.02 0.00 0.00 0.00 0.00 35.03 35.51 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 -0.91 3.69 -1.53 1.64 -0.58 -1.26 -4.74 120.64 116.95 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 -2.45 -0.07 0.00 -0.57 0.00 0.00 31.44 28.35 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 1.47 3.25 0.62 0.00 -1.26 -4.91 105.19 105.88 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 0.77 0.11 1.61 1.70 -1.26 -5.08 118.95 113.30 3ias s ARG 316 Ca 0.00 -0.44 -0.17 0.00 -0.47 0.00 0.00 55.73 54.65 3ias s ARG 316 Cb 0.00 0.33 -0.07 0.00 -0.57 0.00 0.00 34.95 34.65 3ias s ARG 316 CO 0.00 -0.24 0.56 -0.51 -1.08 0.00 0.00 175.30 174.03 3ias s LEU 317 N -1.89 4.44 0.02 -1.89 2.01 -1.26 -1.82 118.68 118.30 3ias s LEU 317 Ca -0.07 1.19 0.01 0.00 0.01 0.00 0.00 54.13 55.26 3ias s LEU 317 Cb -0.02 -3.07 -0.02 0.00 0.01 0.00 0.00 46.19 43.10 3ias s LEU 317 CO -0.02 0.20 -0.04 -0.69 1.01 0.00 0.00 176.35 176.81 3ias s VAL 318 N -1.27 0.21 0.42 -1.59 1.01 -0.67 -4.94 120.40 113.56 3ias s VAL 318 Ca 0.33 -0.85 -0.23 0.00 0.00 0.00 0.00 61.98 61.22 3ias s VAL 318 Cb -0.17 -0.32 -0.12 0.00 0.00 0.00 0.00 36.38 35.76 3ias s VAL 318 CO 0.19 -0.41 0.71 -0.62 0.00 0.00 0.00 175.10 174.97 3ias n GLU 319 N 1.73 0.82 -3.65 2.72 1.02 -1.26 -2.37 120.64 119.64 3ias n GLU 319 Ca -0.22 0.30 -0.15 0.00 -0.02 0.00 0.00 57.16 57.06 3ias n GLU 319 Cb 0.55 -1.68 -0.08 0.00 -0.02 0.00 0.00 31.44 30.21 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 -1.39 -1.26 0.68 0.62 0.00 -0.48 -4.81 121.76 115.11 3ias s ALA 320 Ca 0.64 0.92 -0.14 0.00 0.00 0.00 0.00 51.96 53.37 3ias s ALA 320 Cb -0.60 -0.11 0.01 0.00 0.00 0.00 0.00 23.12 22.42 3ias s ALA 320 CO 0.57 -0.30 1.09 0.99 0.00 0.00 0.00 175.76 178.11 3ias s THR 321 N -1.01 3.44 0.51 0.00 2.01 -1.26 -4.08 115.64 115.26 3ias s THR 321 Ca -0.10 0.61 0.21 0.00 0.31 0.00 0.00 61.69 62.71 3ias s THR 321 Cb -0.03 -3.14 0.35 0.00 0.01 0.00 0.00 72.50 69.69 3ias s THR 321 CO 0.06 -0.48 2.04 -0.50 -0.69 0.00 0.00 174.62 175.05 3ias h TRP 322 N -0.23 0.06 0.66 4.92 4.06 -1.96 0.18 115.95 123.64 3ias h TRP 322 Ca -0.46 0.00 -0.03 0.00 2.06 0.00 0.00 58.89 60.46 3ias h TRP 322 Cb 1.23 -0.02 0.01 0.00 -1.00 0.00 0.00 29.16 29.38 3ias h TRP 322 CO 0.57 0.03 -0.32 0.93 -3.56 0.00 0.00 178.44 176.08 3ias h GLU 323 N 0.06 -0.86 -0.35 0.49 4.39 -2.00 -0.49 114.58 115.82 3ias h GLU 323 Ca 0.18 0.06 0.05 0.00 0.34 0.00 0.00 59.36 59.99 3ias h GLU 323 Cb 0.64 0.20 -0.05 0.00 -0.10 0.00 0.00 28.75 29.44 3ias h GLU 323 CO -0.01 -0.57 0.07 0.93 -1.16 0.00 0.00 179.01 178.26 3ias h GLU 324 N -0.89 0.19 -0.19 2.33 5.08 -1.53 -2.77 114.58 116.79 3ias h GLU 324 Ca -0.09 -0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.29 3ias h GLU 324 Cb 0.69 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.87 3ias h GLU 324 CO 0.14 0.12 0.00 0.00 -1.00 0.00 0.00 179.01 178.28 3ias h ALA 325 N 1.26 0.17 -0.87 3.43 0.00 -0.60 -1.55 119.26 121.11 3ias h ALA 325 Ca 0.17 0.05 0.10 0.00 0.00 0.00 0.00 54.91 55.23 3ias h ALA 325 Cb 0.19 0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.00 3ias h ALA 325 CO -0.22 -0.43 0.56 0.35 0.00 0.00 0.00 179.25 179.51 3ias h PHE 326 N 0.07 0.90 -0.12 0.00 3.57 -0.82 0.47 116.94 121.00 3ias h PHE 326 Ca 0.09 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.56 3ias h PHE 326 Cb 0.11 -0.29 -0.00 0.00 2.79 0.00 0.00 35.95 38.56 3ias h PHE 326 CO -0.17 0.41 -0.14 -0.07 -2.23 0.00 0.00 178.31 176.11 3ias h LEU 327 N 0.83 0.33 -2.01 0.59 3.38 -1.19 -1.16 115.31 116.09 3ias h LEU 327 Ca 0.40 -0.50 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 3ias h LEU 327 Cb 0.44 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.09 3ias h LEU 327 CO -0.17 0.77 -0.08 0.00 0.09 0.00 0.00 178.44 179.04 3ias h ALA 328 N 0.58 1.59 -0.00 1.53 0.00 -0.47 -1.52 119.26 120.96 3ias h ALA 328 Ca 0.02 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 3ias h ALA 328 Cb 0.68 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 3ias h ALA 328 CO 0.03 0.11 -0.00 1.25 0.00 0.00 0.00 179.25 180.64 3ias h LEU 329 N 0.00 0.00 -0.89 0.00 5.85 0.06 -2.99 115.31 117.34 3ias h LEU 329 Ca -0.00 -0.43 0.19 0.00 0.84 0.00 0.00 57.88 58.47 3ias h LEU 329 Cb 0.18 -0.00 -0.11 0.00 0.37 0.00 0.00 40.66 41.10 3ias h LEU 329 CO 0.01 0.43 0.45 0.11 -0.34 0.00 0.00 178.44 179.10 3ias h LYS 330 N -0.43 0.53 0.02 1.25 1.57 -0.58 -3.03 116.57 115.92 3ias h LYS 330 Ca 0.00 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.75 3ias h LYS 330 Cb 0.43 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.62 3ias h LYS 330 CO 0.00 0.35 -0.01 1.49 -0.57 0.00 0.00 179.45 180.71 3ias h GLU 331 N 0.55 -0.03 0.00 3.15 4.57 -1.23 0.30 114.58 121.89 3ias h GLU 331 Ca 0.52 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.71 3ias h GLU 331 Cb 0.87 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.47 3ias h GLU 331 CO -0.43 0.15 0.00 0.41 -1.18 0.00 0.00 179.01 177.96 3ias n GLY 332 N -0.62 -0.60 0.00 1.92 0.00 -1.14 -2.99 105.19 101.76 3ias n GLY 332 Ca -0.08 -0.05 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 -1.25 0.41 0.07 0.99 4.77 -0.92 -4.73 117.00 116.34 3ias n LEU 333 Ca 0.05 -0.56 -0.12 0.00 -0.03 0.00 0.00 56.01 55.35 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 0.08 0.10 0.75 0.50 -1.33 0.00 0.00 177.39 177.50 3ias h LYS 334 N 0.00 -0.28 -4.64 3.23 3.64 -0.85 -3.11 116.57 114.56 3ias h LYS 334 Ca 0.00 0.02 -0.72 0.00 -1.27 0.00 0.00 60.65 58.68 3ias h LYS 334 Cb 0.08 0.06 -0.11 0.00 -0.41 0.00 0.00 32.23 31.85 3ias h LYS 334 CO 0.00 -0.19 2.13 0.39 -2.27 0.00 0.00 179.45 179.51 3ias n GLU 335 N -5.29 3.27 -3.67 1.90 1.02 -1.26 -4.90 120.64 111.70 3ias n GLU 335 Ca -0.06 -3.35 -0.08 0.00 -0.02 0.00 0.00 57.16 53.65 3ias n GLU 335 Cb 0.21 -3.20 -0.09 0.00 -0.02 0.00 0.00 31.44 28.34 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 2.42 -1.37 -0.09 0.62 0.00 -1.18 -5.09 121.76 117.08 3ias s ALA 336 Ca 0.46 1.83 -0.22 0.00 0.00 0.00 0.00 51.96 54.03 3ias s ALA 336 Cb 0.05 -1.19 -0.03 0.00 0.00 0.00 0.00 23.12 21.95 3ias s ALA 336 CO 0.01 -0.42 0.67 -0.98 0.00 0.00 0.00 175.76 175.04 3ias s ARG 337 N 1.76 4.39 0.00 0.00 3.03 -1.26 -4.95 118.95 121.92 3ias s ARG 337 Ca -0.08 0.80 0.00 0.00 2.03 0.00 0.00 55.73 58.48 3ias s ARG 337 Cb -0.08 -3.47 0.00 0.00 -1.03 0.00 0.00 34.95 30.37 3ias s ARG 337 CO -0.15 0.02 0.24 0.41 -1.13 0.00 0.00 175.30 174.69 3ias n GLY 338 N 3.22 0.00 0.02 3.88 0.00 -1.26 -1.00 105.19 110.04 3ias n GLY 338 Ca -0.02 0.00 0.07 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 -0.69 0.63 -0.01 1.61 0.00 -1.23 -3.84 120.64 117.11 3ias n GLU 339 Ca 0.00 -0.14 0.14 0.00 0.00 0.00 0.00 57.16 57.16 3ias n GLU 339 Cb 0.00 -1.41 0.69 0.00 0.00 0.00 0.00 31.44 30.72 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 -2.16 1.31 -2.53 5.31 -0.58 -0.18 -4.42 120.64 117.39 3ias n GLU 340 Ca -0.06 -0.45 -0.41 0.00 -0.42 0.00 0.00 57.16 55.82 3ias n GLU 340 Cb 0.52 -1.45 -0.04 0.00 -0.57 0.00 0.00 31.44 29.89 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 -1.98 3.74 -0.08 2.62 1.01 -1.25 -2.00 120.40 122.45 3ias s VAL 341 Ca 0.40 1.63 0.04 0.00 0.00 0.00 0.00 61.98 64.05 3ias s VAL 341 Cb 0.20 -4.04 0.00 0.00 0.00 0.00 0.00 36.38 32.54 3ias s VAL 341 CO 0.32 0.34 -0.21 -0.83 0.00 0.00 0.00 175.10 174.73 3ias s GLY 342 N -0.59 1.16 -0.15 4.51 0.00 0.27 -4.58 107.32 107.95 3ias s GLY 342 Ca 0.46 -0.82 0.02 0.00 0.00 0.00 0.00 44.72 44.39 3ias s GLY 342 CO 0.37 -0.25 -0.21 1.08 0.00 0.00 0.00 173.10 174.09 3ias s LEU 343 N 0.36 2.13 -0.24 0.66 1.43 -0.99 0.59 118.68 122.62 3ias s LEU 343 Ca -0.15 -0.61 -0.03 0.00 -1.03 0.00 0.00 54.13 52.31 3ias s LEU 343 Cb -0.17 -1.46 0.08 0.00 0.03 0.00 0.00 46.19 44.68 3ias s LEU 343 CO 0.07 0.07 0.08 -0.31 0.23 0.00 0.00 176.35 176.48 3ias s TYR 344 N 0.90 0.90 0.75 0.29 4.12 -0.28 -0.98 117.35 123.06 3ias s TYR 344 Ca -0.05 -0.99 -0.08 0.00 0.02 0.00 0.00 57.07 55.97 3ias s TYR 344 Cb -0.15 -1.11 0.09 0.00 -1.52 0.00 0.00 41.96 39.27 3ias s TYR 344 CO -0.04 -0.71 1.07 -0.51 0.02 0.00 0.00 175.55 175.38 3ias s LEU 345 N 1.90 2.78 0.40 -1.29 1.43 -0.64 -0.38 118.68 122.88 3ias s LEU 345 Ca 0.04 0.40 -0.06 0.00 -1.03 0.00 0.00 54.13 53.48 3ias s LEU 345 Cb -0.17 -2.93 -0.05 0.00 0.03 0.00 0.00 46.19 43.08 3ias s LEU 345 CO -0.19 -1.80 0.70 0.00 0.23 0.00 0.00 176.35 175.29 3ias s ALA 346 N -3.36 3.47 0.56 4.21 0.00 -1.26 -0.56 121.76 124.82 3ias s ALA 346 Ca 0.63 -0.46 0.27 0.00 0.00 0.00 0.00 51.96 52.39 3ias s ALA 346 Cb -0.09 -2.51 1.49 0.00 0.00 0.00 0.00 23.12 22.01 3ias s ALA 346 CO 0.46 -0.07 2.01 1.12 0.00 0.00 0.00 175.76 179.28 3ias h HIS 347 N 0.95 0.00 -0.93 0.00 2.07 -1.90 -0.72 115.15 114.62 3ias h HIS 347 Ca -0.47 0.00 -0.62 0.00 -2.85 0.00 0.00 60.37 56.42 3ias h HIS 347 Cb 1.20 0.00 -0.35 0.00 2.57 0.00 0.00 27.41 30.82 3ias h HIS 347 CO 0.58 0.00 0.11 -0.40 -3.07 0.00 0.00 177.93 175.15 3ias n ASP 348 N -4.05 6.44 -4.74 3.10 5.68 -1.26 -1.36 116.55 120.36 3ias n ASP 348 Ca 0.07 -3.77 -0.41 0.00 -0.50 0.00 0.00 54.79 50.17 3ias n ASP 348 Cb 0.53 -0.69 -0.04 0.00 -1.14 0.00 0.00 41.12 39.78 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 -3.73 3.41 1.16 2.12 0.00 -0.28 -4.93 121.76 119.50 3ias s ALA 349 Ca 0.58 0.90 -0.13 0.00 0.00 0.00 0.00 51.96 53.31 3ias s ALA 349 Cb 0.46 -3.39 0.28 0.00 0.00 0.00 0.00 23.12 20.47 3ias s ALA 349 CO -0.00 -0.30 1.03 0.95 0.00 0.00 0.00 175.76 177.44 3ias s THR 350 N -0.18 2.00 0.34 0.00 -4.23 -1.26 -4.79 115.64 107.51 3ias s THR 350 Ca 0.51 0.00 0.08 0.00 -1.18 0.00 0.00 61.69 61.10 3ias s THR 350 Cb -0.31 -2.14 0.09 0.00 1.34 0.00 0.00 72.50 71.48 3ias s THR 350 CO 0.36 0.00 1.79 0.25 -0.54 0.00 0.00 174.62 176.49 3ias h LEU 351 N -2.56 0.21 -0.05 4.79 5.85 -0.70 -2.36 115.31 120.49 3ias h LEU 351 Ca -0.61 -0.07 -0.06 0.00 0.84 0.00 0.00 57.88 57.97 3ias h LEU 351 Cb 1.34 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.31 3ias h LEU 351 CO 0.52 0.51 -0.21 -0.33 -0.34 0.00 0.00 178.44 178.60 3ias h GLU 352 N 0.19 0.24 -0.03 1.25 3.07 -1.91 -1.83 114.58 115.56 3ias h GLU 352 Ca 0.03 -0.18 0.01 0.00 -0.50 0.00 0.00 59.36 58.71 3ias h GLU 352 Cb 0.64 0.03 -0.00 0.00 -0.84 0.00 0.00 28.75 28.58 3ias h GLU 352 CO 0.05 0.82 0.03 0.93 -1.40 0.00 0.00 179.01 179.43 3ias h GLU 353 N -0.30 0.00 0.14 2.33 5.08 -1.88 0.34 114.58 120.30 3ias h GLU 353 Ca -0.01 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 58.12 3ias h GLU 353 Cb 0.85 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.11 3ias h GLU 353 CO 0.04 0.00 -1.08 0.78 -1.00 0.00 0.00 179.01 177.76 3ias h GLY 354 N 0.00 0.34 0.99 -3.84 0.00 -1.38 -2.84 103.07 96.34 3ias h GLY 354 Ca 0.01 -0.88 -0.01 0.00 0.00 0.00 0.00 47.33 46.45 3ias h GLY 354 CO -0.00 0.77 0.30 -2.00 0.00 0.00 0.00 176.54 175.61 3ias h LEU 355 N -0.31 0.72 0.32 3.11 5.85 -0.73 -1.04 115.31 123.23 3ias h LEU 355 Ca -0.21 -0.11 -0.02 0.00 0.84 0.00 0.00 57.88 58.39 3ias h LEU 355 Cb 1.73 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 42.58 3ias h LEU 355 CO 0.13 0.62 -0.15 0.25 -0.34 0.00 0.00 178.44 178.95 3ias h LEU 356 N 0.77 -0.36 -2.35 2.25 5.85 -1.07 -2.18 115.31 118.22 3ias h LEU 356 Ca 0.20 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.93 3ias h LEU 356 Cb 0.07 0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.19 3ias h LEU 356 CO -0.03 -0.25 0.00 0.00 -0.34 0.00 0.00 178.44 177.82 3ias h ALA 357 N 0.25 1.00 0.31 1.25 0.00 -1.36 -0.81 119.26 119.90 3ias h ALA 357 Ca -0.04 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 3ias h ALA 357 Cb 0.33 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3ias h ALA 357 CO 0.07 0.00 -0.15 1.03 0.00 0.00 0.00 179.25 180.20 3ias h SER 358 N 0.00 -0.35 -0.64 0.00 0.87 -0.57 -3.11 113.55 109.75 3ias h SER 358 Ca 0.00 -0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.55 3ias h SER 358 Cb 0.07 0.09 -0.03 0.00 -0.44 0.00 0.00 62.40 62.09 3ias h SER 358 CO 0.00 0.10 0.39 -0.33 -0.53 0.00 0.00 176.83 176.46 3ias h GLU 359 N -1.11 0.87 0.00 2.24 4.39 -1.01 -0.78 114.58 119.19 3ias h GLU 359 Ca -0.04 -0.07 -0.02 0.00 0.34 0.00 0.00 59.36 59.57 3ias h GLU 359 Cb 0.34 -0.19 -0.00 0.00 -0.10 0.00 0.00 28.75 28.80 3ias h GLU 359 CO 0.07 0.60 -0.09 1.25 -1.16 0.00 0.00 179.01 179.68 3ias h LEU 360 N 0.88 0.00 0.00 1.33 5.85 -1.28 0.46 115.31 122.56 3ias h LEU 360 Ca 0.23 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.95 3ias h LEU 360 Cb -0.04 0.00 0.00 0.00 0.37 0.00 0.00 40.66 40.99 3ias h LEU 360 CO -0.04 0.09 -0.82 0.00 -0.34 0.00 0.00 178.44 177.32 3ias n ALA 361 N -2.38 4.23 0.01 1.25 0.00 -0.59 -2.55 120.51 120.48 3ias n ALA 361 Ca -0.02 -0.50 -0.01 0.00 0.00 0.00 0.00 53.44 52.91 3ias n ALA 361 Cb 0.18 -0.91 -0.01 0.00 0.00 0.00 0.00 19.45 18.71 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 -0.09 0.28 0.00 3.64 0.39 -2.73 116.57 118.06 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 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.34 3ias h LYS 362 CO 0.00 -0.06 -0.26 0.00 -2.27 0.00 0.00 179.45 176.86 3ias h ALA 363 N -1.55 -0.56 -0.51 5.00 0.00 -1.23 -3.10 119.26 117.31 3ias h ALA 363 Ca -0.01 -0.09 -0.41 0.00 0.00 0.00 0.00 54.91 54.40 3ias h ALA 363 Cb 0.07 0.37 -0.04 0.00 0.00 0.00 0.00 17.79 18.18 3ias h ALA 363 CO 0.02 -0.84 1.35 -0.11 0.00 0.00 0.00 179.25 179.66 3ias n LEU 364 N -5.39 3.49 -4.52 0.00 7.94 -1.06 -4.87 117.00 112.59 3ias n LEU 364 Ca -0.09 -3.31 -0.28 0.00 -1.11 0.00 0.00 56.01 51.22 3ias n LEU 364 Cb 0.29 -1.72 -0.14 0.00 0.53 0.00 0.00 43.42 42.39 3ias n LEU 364 CO 0.30 -1.39 1.94 0.29 -1.11 0.00 0.00 177.39 177.42 3ias n LYS 365 N 8.22 0.30 -4.11 1.96 5.02 -1.17 -4.40 118.16 123.98 3ias n LYS 365 Ca 0.46 -0.18 -0.13 0.00 -2.02 0.00 0.00 58.31 56.44 3ias n LYS 365 Cb 0.46 -2.15 -0.11 0.00 -0.02 0.00 0.00 35.03 33.21 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 7.90 0.64 -0.19 -0.18 -1.32 -1.03 -3.55 115.64 117.92 3ias s THR 366 Ca 1.19 -1.39 0.07 0.00 -1.21 0.00 0.00 61.69 60.35 3ias s THR 366 Cb -0.70 -1.01 -0.22 0.00 -1.51 0.00 0.00 72.50 69.07 3ias s THR 366 CO 0.39 -0.54 0.08 -0.81 -2.21 0.00 0.00 174.62 171.54 3ias n PRO 367 N 0.93 0.68 -3.24 7.08 -0.04 -1.26 -4.84 135.00 134.32 3ias n PRO 367 Ca -0.19 0.14 -0.46 0.00 -0.04 0.00 0.00 63.50 62.95 3ias n PRO 367 Cb 0.57 -1.59 -0.02 0.00 -0.04 0.00 0.00 33.50 32.41 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 -2.53 3.56 -0.08 0.54 -3.43 -1.26 -0.18 115.29 111.92 3ias s HIS 368 Ca -0.21 -1.78 0.02 0.00 -0.80 0.00 0.00 55.06 52.29 3ias s HIS 368 Cb 0.08 -3.92 0.01 0.00 -1.43 0.00 0.00 32.58 27.31 3ias s HIS 368 CO 0.73 -1.11 -0.14 -0.48 -2.00 0.00 0.00 174.74 171.74 3ias s LEU 369 N 0.89 1.71 0.23 5.38 2.34 -1.26 -2.35 118.68 125.62 3ias s LEU 369 Ca 0.20 -0.35 -0.06 0.00 0.06 0.00 0.00 54.13 53.97 3ias s LEU 369 Cb -0.11 -0.94 -0.02 0.00 -0.56 0.00 0.00 46.19 44.55 3ias s LEU 369 CO -0.08 0.05 0.30 -0.62 -1.06 0.00 0.00 176.35 174.94 3ias s ASP 370 N 0.67 0.10 0.06 1.48 2.15 -0.15 -1.32 116.67 119.65 3ias s ASP 370 Ca -0.14 -1.20 0.07 0.00 0.43 0.00 0.00 52.55 51.71 3ias s ASP 370 Cb -0.16 0.48 -0.03 0.00 -0.30 0.00 0.00 42.92 42.92 3ias s ASP 370 CO 0.04 -0.99 -0.20 0.72 -0.17 0.00 0.00 175.17 174.57 3ias s PHE 371 N -4.04 1.73 0.17 -5.34 -0.71 -1.22 -1.61 117.98 106.95 3ias s PHE 371 Ca 0.31 -0.38 -0.14 0.00 -1.04 0.00 0.00 56.93 55.68 3ias s PHE 371 Cb 0.03 -1.01 0.15 0.00 -1.21 0.00 0.00 43.02 40.99 3ias s PHE 371 CO 0.11 0.11 1.16 0.94 -1.34 0.00 0.00 175.22 176.20 3ias n GLN 372 N 1.69 -0.19 -0.14 1.99 7.27 0.28 -0.90 117.38 127.38 3ias n GLN 372 Ca -0.18 1.15 0.09 0.00 0.07 0.00 0.00 57.00 58.13 3ias n GLN 372 Cb 0.54 -1.70 0.29 0.00 2.41 0.00 0.00 30.24 31.77 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 -1.33 0.64 3.68 1.69 0.00 -1.26 -4.90 105.19 103.70 3ias n GLY 373 Ca 0.07 -0.46 -0.63 0.00 0.00 0.00 0.00 46.02 45.00 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 0.57 0.29 -2.92 1.61 0.63 -0.08 -4.31 116.66 112.45 3ias n ARG 374 Ca 0.15 0.11 -0.40 0.00 -0.92 0.00 0.00 57.85 56.79 3ias n ARG 374 Cb 0.36 -1.65 -0.06 0.00 0.45 0.00 0.00 32.46 31.56 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 2.30 4.39 0.34 5.15 -4.23 -1.26 -4.94 115.64 117.39 3ias s THR 375 Ca 0.99 1.78 0.09 0.00 -1.18 0.00 0.00 61.69 63.38 3ias s THR 375 Cb -1.34 -4.18 0.32 0.00 1.34 0.00 0.00 72.50 68.65 3ias s THR 375 CO 0.71 0.48 1.82 0.00 -0.54 0.00 0.00 174.62 177.09 3ias h ALA 376 N 4.61 1.82 -2.90 3.99 0.00 -1.80 -3.33 119.26 121.65 3ias h ALA 376 Ca -0.46 0.04 -0.71 0.00 0.00 0.00 0.00 54.91 53.79 3ias h ALA 376 Cb 1.21 -0.09 -0.27 0.00 0.00 0.00 0.00 17.79 18.64 3ias h ALA 376 CO 0.68 -0.13 -0.53 0.00 0.00 0.00 0.00 179.25 179.26 3ias s ALA 377 N -5.73 3.21 0.05 0.00 0.00 -0.79 -3.25 121.76 115.26 3ias s ALA 377 Ca -0.10 -1.85 -0.35 0.00 0.00 0.00 0.00 51.96 49.66 3ias s ALA 377 Cb 0.24 -2.51 -0.14 0.00 0.00 0.00 0.00 23.12 20.70 3ias s ALA 377 CO 0.80 -1.45 1.59 -2.30 0.00 0.00 0.00 175.76 174.40 3ias n PRO 378 N 4.92 1.81 0.30 0.00 -0.02 -1.25 -4.84 135.00 135.91 3ias n PRO 378 Ca -0.11 0.66 0.17 0.00 -2.02 0.00 0.00 63.50 62.19 3ias n PRO 378 Cb 0.45 -2.40 0.91 0.00 -0.02 0.00 0.00 33.50 32.44 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 6.35 1.18 0.00 3.55 0.00 -1.93 -0.03 119.26 128.38 3ias h ALA 379 Ca -0.46 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.41 3ias h ALA 379 Cb 1.28 -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 0.00 179.25 180.61 3ias n SER 380 N -3.40 0.36 0.02 0.00 7.64 -1.26 -2.60 113.62 114.38 3ias n SER 380 Ca -0.02 0.62 -0.15 0.00 1.01 0.00 0.00 58.87 60.33 3ias n SER 380 Cb 0.17 -0.68 -0.09 0.00 -1.01 0.00 0.00 64.21 62.59 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 -1.60 -9.97 -3.43 -0.00 -1.11 -3.21 115.31 95.99 3ias h LEU 381 Ca 0.00 0.18 -0.49 0.00 -0.00 0.00 0.00 57.88 57.58 3ias h LEU 381 Cb 0.17 0.61 -0.03 0.00 -0.00 0.00 0.00 40.66 41.42 3ias h LEU 381 CO 0.00 -0.48 0.18 -0.36 -0.00 0.00 0.00 178.44 177.78 3ias s PHE 382 N -5.56 3.47 -0.21 1.13 0.40 -1.07 -4.66 117.98 111.48 3ias s PHE 382 Ca -0.15 1.41 -0.29 0.00 -0.60 0.00 0.00 56.93 57.30 3ias s PHE 382 Cb 0.06 -2.67 -0.02 0.00 0.51 0.00 0.00 43.02 40.90 3ias s PHE 382 CO 0.57 0.13 1.52 -1.25 0.70 0.00 0.00 175.22 176.89 3ias s PRO 383 N -2.65 3.92 0.21 0.24 0.04 -1.26 -4.91 135.00 130.59 3ias s PRO 383 Ca 0.52 1.65 -0.31 0.00 0.04 0.00 0.00 61.00 62.90 3ias s PRO 383 Cb -0.13 -3.96 -0.15 0.00 0.04 0.00 0.00 34.50 30.30 3ias s PRO 383 CO 0.18 -1.13 1.20 -2.30 0.04 0.00 0.00 177.00 174.99 3ias n PRO 384 N 7.40 1.42 -4.52 0.56 -0.02 -1.26 -1.56 135.00 137.01 3ias n PRO 384 Ca 0.17 0.50 -0.33 0.00 -2.02 0.00 0.00 63.50 61.82 3ias n PRO 384 Cb 0.45 -2.02 -0.13 0.00 -0.02 0.00 0.00 33.50 31.79 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 -0.32 2.89 0.60 3.55 0.00 -1.00 -4.70 121.76 122.78 3ias s ALA 385 Ca 0.69 -0.84 -0.17 0.00 0.00 0.00 0.00 51.96 51.64 3ias s ALA 385 Cb -0.77 -1.44 -0.03 0.00 0.00 0.00 0.00 23.12 20.88 3ias s ALA 385 CO 0.53 0.24 1.11 0.45 0.00 0.00 0.00 175.76 178.10 3ias s SER 386 N 0.30 5.44 0.51 0.00 0.15 -1.26 -4.56 113.70 114.28 3ias s SER 386 Ca -0.05 2.06 0.28 0.00 0.70 0.00 0.00 55.95 58.94 3ias s SER 386 Cb -0.15 -2.56 1.35 0.00 -1.71 0.00 0.00 66.02 62.95 3ias s SER 386 CO 0.04 -1.41 2.01 -0.07 1.20 0.00 0.00 173.24 175.01 3ias h LEU 387 N 0.58 0.00 0.43 3.45 4.07 -1.94 -2.15 115.31 119.76 3ias h LEU 387 Ca -0.48 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 57.46 3ias h LEU 387 Cb 1.25 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.99 3ias h LEU 387 CO 0.56 0.13 -0.21 -0.08 -1.08 0.00 0.00 178.44 177.76 3ias h GLU 388 N 0.00 -0.56 -0.72 1.13 4.57 -1.91 -3.04 114.58 114.05 3ias h GLU 388 Ca -0.00 0.04 0.12 0.00 -1.18 0.00 0.00 59.36 58.34 3ias h GLU 388 Cb 0.46 0.13 -0.09 0.00 -0.16 0.00 0.00 28.75 29.09 3ias h GLU 388 CO 0.02 -0.36 0.30 -0.44 -1.18 0.00 0.00 179.01 177.34 3ias h ASP 389 N -0.60 0.30 -0.90 1.04 3.32 -1.77 -1.36 116.42 116.45 3ias h ASP 389 Ca -0.06 0.09 0.20 0.00 0.02 0.00 0.00 57.03 57.29 3ias h ASP 389 Cb 0.46 0.06 -0.07 0.00 0.22 0.00 0.00 39.33 40.00 3ias h ASP 389 CO 0.10 0.14 0.60 0.25 -1.72 0.00 0.00 179.24 178.60 3ias h LEU 390 N 0.47 0.43 -0.41 1.55 5.85 -1.34 0.16 115.31 122.01 3ias h LEU 390 Ca 0.38 0.04 -0.13 0.00 0.84 0.00 0.00 57.88 59.01 3ias h LEU 390 Cb 0.54 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.51 3ias h LEU 390 CO -0.36 0.17 -0.63 -0.07 -0.34 0.00 0.00 178.44 177.20 3ias h LEU 391 N 0.43 0.00 -1.67 2.25 3.38 -1.23 -3.26 115.31 115.21 3ias h LEU 391 Ca 0.47 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.44 3ias h LEU 391 Cb 1.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.89 3ias h LEU 391 CO -0.18 0.63 -0.13 0.00 0.09 0.00 0.00 178.44 178.85 3ias n GLN 392 N -3.47 2.01 -1.14 1.13 6.02 0.33 -4.83 117.38 117.43 3ias n GLN 392 Ca 0.00 -1.67 -0.29 0.00 -0.01 0.00 0.00 57.00 55.04 3ias n GLN 392 Cb 0.71 -1.46 0.20 0.00 1.02 0.00 0.00 30.24 30.70 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 -2.13 0.80 -0.37 -1.58 0.00 0.04 -5.00 121.76 113.52 3ias s ALA 393 Ca 0.25 -0.55 0.04 0.00 0.00 0.00 0.00 51.96 51.70 3ias s ALA 393 Cb 0.19 -3.04 -0.01 0.00 0.00 0.00 0.00 23.12 20.26 3ias s ALA 393 CO 0.38 -3.10 0.39 -0.25 0.00 0.00 0.00 175.76 173.18 3ias n ASP 394 N -4.37 0.73 -3.52 0.00 8.00 -0.78 -4.98 116.55 111.63 3ias n ASP 394 Ca 0.07 -0.86 -0.16 0.00 0.71 0.00 0.00 54.79 54.55 3ias n ASP 394 Cb 0.58 0.56 -0.05 0.00 -0.02 0.00 0.00 41.12 42.18 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 -0.95 -0.59 -0.26 1.24 5.36 -1.26 -4.88 117.98 116.64 3ias s PHE 395 Ca 0.03 0.95 0.01 0.00 -0.96 0.00 0.00 56.93 56.97 3ias s PHE 395 Cb 0.04 0.43 0.07 0.00 -0.34 0.00 0.00 43.02 43.22 3ias s PHE 395 CO 0.12 -0.58 -0.03 0.00 -1.46 0.00 0.00 175.22 173.27 3ias s ALA 396 N -1.45 2.07 -0.43 11.12 0.00 -0.47 -1.50 121.76 131.10 3ias s ALA 396 Ca -0.08 -1.56 -0.16 0.00 0.00 0.00 0.00 51.96 50.16 3ias s ALA 396 Cb -0.00 -1.53 0.03 0.00 0.00 0.00 0.00 23.12 21.62 3ias s ALA 396 CO 0.06 -1.31 0.36 -1.17 0.00 0.00 0.00 175.76 173.71 3ias s LEU 397 N 1.34 5.17 -0.14 0.00 2.96 -1.02 -0.20 118.68 126.79 3ias s LEU 397 Ca -0.02 -0.95 -0.02 0.00 -0.22 0.00 0.00 54.13 52.92 3ias s LEU 397 Cb -0.19 -2.23 -0.03 0.00 0.50 0.00 0.00 46.19 44.25 3ias s LEU 397 CO -0.08 -0.54 -0.05 -0.69 -1.32 0.00 0.00 176.35 173.66 3ias s VAL 398 N 1.81 3.75 -0.56 1.68 1.01 0.13 -1.20 120.40 127.02 3ias s VAL 398 Ca 0.07 -0.42 0.04 0.00 0.00 0.00 0.00 61.98 61.68 3ias s VAL 398 Cb -0.20 -2.62 0.17 0.00 0.00 0.00 0.00 36.38 33.73 3ias s VAL 398 CO 0.10 0.52 0.42 -0.76 0.00 0.00 0.00 175.10 175.38 3ias s LEU 399 N 0.15 3.15 0.00 3.92 1.02 -0.32 -0.33 118.68 126.27 3ias s LEU 399 Ca -0.02 -3.47 0.00 0.00 0.02 0.00 0.00 54.13 50.65 3ias s LEU 399 Cb -0.14 -1.05 0.00 0.00 0.02 0.00 0.00 46.19 45.03 3ias s LEU 399 CO 0.03 -0.13 0.00 0.61 0.02 0.00 0.00 176.35 176.89 3ias n GLY 400 N 2.39 2.69 3.26 -3.19 0.00 -0.37 -2.64 105.19 107.33 3ias n GLY 400 Ca 0.25 -1.55 -0.42 0.00 0.00 0.00 0.00 46.02 44.30 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 5.85 0.35 1.61 2.15 -1.26 -4.76 116.67 120.61 3ias s ASP 401 Ca 0.00 -1.76 0.06 0.00 0.43 0.00 0.00 52.55 51.28 3ias s ASP 401 Cb 0.00 -2.07 0.74 0.00 -0.30 0.00 0.00 42.92 41.28 3ias s ASP 401 CO 0.00 -0.71 1.91 -0.65 -0.17 0.00 0.00 175.17 175.55 3ias h PRO 402 N 8.58 0.75 0.00 4.34 0.11 -1.96 -1.31 132.00 142.52 3ias h PRO 402 Ca -0.24 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.82 3ias h PRO 402 Cb 1.08 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.02 3ias h PRO 402 CO 0.89 0.50 0.05 2.41 -0.21 0.00 0.00 178.00 181.64 3ias n THR 403 N -4.52 1.04 -0.02 -1.15 -1.04 -1.26 -2.02 114.28 105.31 3ias n THR 403 Ca 0.14 0.72 -0.05 0.00 -2.04 0.00 0.00 64.05 62.82 3ias n THR 403 Cb 0.33 -1.72 -0.02 0.00 -1.82 0.00 0.00 70.33 67.11 3ias n THR 403 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 3ias n GLU 404 N -2.15 0.11 -0.16 -2.82 -0.58 -0.70 -4.49 120.64 109.85 3ias n GLU 404 Ca -0.01 0.05 -0.10 0.00 -0.42 0.00 0.00 57.16 56.67 3ias n GLU 404 Cb 0.08 -0.68 -0.00 0.00 -0.57 0.00 0.00 31.44 30.27 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 -0.18 0.86 -1.61 3.49 5.08 -1.23 -3.30 114.58 117.68 3ias h GLU 405 Ca -0.12 -0.30 -0.43 0.00 -1.00 0.00 0.00 59.36 57.51 3ias h GLU 405 Cb 1.01 -0.06 -0.30 0.00 0.50 0.00 0.00 28.75 29.90 3ias h GLU 405 CO -0.07 0.93 -0.84 0.00 -1.00 0.00 0.00 179.01 178.03 3ias n ALA 406 N -2.45 1.08 -0.16 3.43 0.00 -0.86 -4.67 120.51 116.89 3ias n ALA 406 Ca 0.00 -2.48 -0.04 0.00 0.00 0.00 0.00 53.44 50.92 3ias n ALA 406 Cb 0.34 -1.01 -0.04 0.00 0.00 0.00 0.00 19.45 18.74 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 2.30 -0.17 -0.21 0.00 -0.02 -1.00 -1.21 135.00 134.69 3ias n PRO 407 Ca 0.22 1.15 0.30 0.00 -2.02 0.00 0.00 63.50 63.15 3ias n PRO 407 Cb 0.53 -1.70 0.64 0.00 -0.02 0.00 0.00 33.50 32.95 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 0.18 -0.78 4.25 5.03 -1.94 0.34 117.51 124.59 3ias h ILE 408 Ca 0.06 0.00 0.12 0.00 -0.12 0.00 0.00 64.86 64.92 3ias h ILE 408 Cb 0.15 0.27 -0.08 0.00 -3.03 0.00 0.00 36.82 34.13 3ias h ILE 408 CO -0.35 0.00 0.39 -0.07 -0.68 0.00 0.00 178.15 177.44 3ias h LEU 409 N 0.00 0.48 -0.67 1.44 3.38 -1.46 0.04 115.31 118.52 3ias h LEU 409 Ca 0.48 0.08 0.13 0.00 0.09 0.00 0.00 57.88 58.65 3ias h LEU 409 Cb 2.38 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 43.00 3ias h LEU 409 CO -0.01 0.23 -0.24 -0.74 0.09 0.00 0.00 178.44 177.78 3ias h HIS 410 N 0.60 -0.58 -0.09 1.13 2.76 -0.49 0.16 115.15 118.64 3ias h HIS 410 Ca 0.41 0.07 -0.07 0.00 -2.20 0.00 0.00 60.37 58.57 3ias h HIS 410 Cb 0.52 0.36 -0.01 0.00 1.55 0.00 0.00 27.41 29.83 3ias h HIS 410 CO -0.11 -0.33 -0.28 -0.07 -1.30 0.00 0.00 177.93 175.84 3ias h LEU 411 N -0.06 0.17 -0.18 0.26 3.38 -1.13 -0.47 115.31 117.28 3ias h LEU 411 Ca 0.30 -0.05 -0.23 0.00 0.09 0.00 0.00 57.88 58.00 3ias h LEU 411 Cb 0.53 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.24 3ias h LEU 411 CO -0.71 0.45 -0.91 0.03 0.09 0.00 0.00 178.44 177.38 3ias h ARG 412 N 0.15 0.48 0.00 1.13 2.47 -0.73 -2.82 114.38 115.06 3ias h ARG 412 Ca 0.02 -0.49 -0.01 0.00 -1.26 0.00 0.00 59.98 58.24 3ias h ARG 412 Cb 0.58 0.13 -0.00 0.00 -1.65 0.00 0.00 29.97 29.03 3ias h ARG 412 CO 0.04 1.13 -0.07 -0.07 0.56 0.00 0.00 179.97 181.57 3ias h LEU 413 N 0.28 0.00 -0.20 3.04 3.38 -0.13 0.19 115.31 121.87 3ias h LEU 413 Ca -0.08 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.69 3ias h LEU 413 Cb 1.54 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.30 3ias h LEU 413 CO 0.16 0.07 -0.67 -1.28 0.09 0.00 0.00 178.44 176.81 3ias h SER 414 N 0.00 0.94 0.55 -0.43 0.87 -0.86 0.17 113.55 114.79 3ias h SER 414 Ca -0.00 -0.59 -0.07 0.00 -1.23 0.00 0.00 61.79 59.90 3ias h SER 414 Cb 0.38 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 62.05 3ias h SER 414 CO 0.01 1.37 -0.31 -0.33 -0.53 0.00 0.00 176.83 177.04 3ias h GLU 415 N 0.57 0.00 -0.08 2.24 5.08 -1.10 -3.14 114.58 118.14 3ias h GLU 415 Ca -0.03 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.19 3ias h GLU 415 Cb 1.30 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.56 3ias h GLU 415 CO 0.14 0.31 -0.51 0.35 -1.00 0.00 0.00 179.01 178.31 3ias h PHE 416 N 0.00 0.67 0.00 4.33 3.57 -0.31 -1.92 116.94 123.29 3ias h PHE 416 Ca -0.00 -0.31 0.00 0.00 3.53 0.00 0.00 57.97 61.19 3ias h PHE 416 Cb 0.67 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 39.32 3ias h PHE 416 CO 0.00 1.09 0.00 0.28 -2.23 0.00 0.00 178.31 177.45 3ias n VAL 417 N -4.24 0.45 0.10 1.41 0.31 0.02 -1.70 118.33 114.68 3ias n VAL 417 Ca -0.08 0.11 0.09 0.00 -0.01 0.00 0.00 64.34 64.45 3ias n VAL 417 Cb 0.61 -0.80 0.18 0.00 -0.91 0.00 0.00 33.84 32.92 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 -1.31 2.29 -1.56 5.55 1.74 -1.17 -2.09 116.66 120.11 3ias n ARG 418 Ca 0.09 -2.06 -0.18 0.00 -0.77 0.00 0.00 57.85 54.92 3ias n ARG 418 Cb 0.16 -1.39 -0.08 0.00 -1.02 0.00 0.00 32.46 30.13 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 1.05 -5.22 -4.79 0.55 9.92 -0.69 -4.96 116.55 112.41 3ias n ASP 419 Ca 0.15 0.44 -0.35 0.00 -0.53 0.00 0.00 54.79 54.51 3ias n ASP 419 Cb 0.49 -4.34 -0.03 0.00 -0.64 0.00 0.00 41.12 36.60 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 -4.22 3.92 -0.00 0.64 1.43 -0.73 -5.05 118.68 114.67 3ias s LEU 420 Ca 0.00 1.97 0.01 0.00 -1.03 0.00 0.00 54.13 55.07 3ias s LEU 420 Cb 0.00 -4.46 -0.00 0.00 0.03 0.00 0.00 46.19 41.75 3ias s LEU 420 CO 0.00 -0.72 -0.03 -0.54 0.23 0.00 0.00 176.35 175.29 3ias s LYS 421 N -3.05 0.21 -0.41 1.70 1.02 -1.26 -4.70 119.74 113.25 3ias s LYS 421 Ca 0.65 -0.11 -0.38 0.00 0.02 0.00 0.00 55.97 56.16 3ias s LYS 421 Cb -0.18 -0.19 -0.16 0.00 -0.52 0.00 0.00 37.83 36.78 3ias s LYS 421 CO 0.22 0.05 1.54 -2.30 -0.92 0.00 0.00 175.35 173.94 3ias n PRO 422 N 2.97 0.00 -1.02 -1.68 -0.02 -1.26 -4.88 135.00 129.11 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 -1.24 0.13 0.00 -0.02 0.00 0.00 33.50 32.97 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 3.68 1.54 0.35 0.52 0.04 -1.26 -4.96 135.00 134.91 3ias s PRO 423 Ca 0.93 1.62 -0.29 0.00 0.04 0.00 0.00 61.00 63.30 3ias s PRO 423 Cb -1.24 -1.78 -0.11 0.00 0.04 0.00 0.00 34.50 31.42 3ias s PRO 423 CO 0.61 -2.25 1.42 -1.01 0.04 0.00 0.00 177.00 175.81 3ias s HIS 424 N -2.39 2.80 0.05 0.56 3.76 -1.26 -5.00 115.29 113.81 3ias s HIS 424 Ca 0.70 1.23 -0.24 0.00 -0.15 0.00 0.00 55.06 56.59 3ias s HIS 424 Cb -0.25 -3.88 -0.06 0.00 1.11 0.00 0.00 32.58 29.50 3ias s HIS 424 CO 0.53 -2.58 0.74 1.03 -0.85 0.00 0.00 174.74 173.62 3ias s ARG 425 N -1.79 4.48 0.47 1.40 0.52 -1.26 -4.58 118.95 118.19 3ias s ARG 425 Ca 0.52 1.03 0.05 0.00 -0.52 0.00 0.00 55.73 56.81 3ias s ARG 425 Cb -0.44 -3.35 0.05 0.00 0.52 0.00 0.00 34.95 31.73 3ias s ARG 425 CO 0.57 0.34 0.39 0.66 0.02 0.00 0.00 175.30 177.28 3ias n TYR 426 N 2.62 -0.91 0.33 -0.53 4.02 -1.14 -4.93 117.16 116.62 3ias n TYR 426 Ca -0.04 -1.96 0.20 0.00 -0.01 0.00 0.00 57.90 56.10 3ias n TYR 426 Cb 0.50 -0.39 1.09 0.00 -0.02 0.00 0.00 39.34 40.52 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 0.50 0.00 -0.18 7.72 4.21 -1.92 -0.95 115.58 124.96 3ias h ASN 427 Ca -0.29 0.00 -0.01 0.00 1.21 0.00 0.00 56.30 57.21 3ias h ASN 427 Cb 1.08 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 38.27 3ias h ASN 427 CO 0.45 0.00 -0.01 0.00 -1.29 0.00 0.00 177.43 176.58 3ias n HIS 428 N -3.06 0.66 -4.15 1.19 1.44 -1.26 -5.04 115.22 105.00 3ias n HIS 428 Ca -0.03 -0.96 0.00 0.00 -2.01 0.00 0.00 57.72 54.72 3ias n HIS 428 Cb 0.17 -0.27 0.00 0.00 0.12 0.00 0.00 29.99 30.00 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 -0.83 -0.42 3.66 -1.39 0.00 -0.36 -4.83 105.19 101.01 3ias n GLY 429 Ca 0.20 -1.09 -0.63 0.00 0.00 0.00 0.00 46.02 44.50 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 0.03 -2.28 2.61 -1.04 -1.26 -2.88 114.28 109.46 3ias n THR 430 Ca 0.00 -0.00 -0.39 0.00 -2.04 0.00 0.00 64.05 61.61 3ias n THR 430 Cb 0.00 -0.42 -0.03 0.00 -1.82 0.00 0.00 70.33 68.06 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 1.99 4.28 -0.03 -2.82 0.04 -1.26 -4.97 135.00 132.22 3ias s PRO 431 Ca 0.99 1.95 -0.26 0.00 0.04 0.00 0.00 61.00 63.72 3ias s PRO 431 Cb -1.36 -2.92 -0.21 0.00 0.04 0.00 0.00 34.50 30.05 3ias s PRO 431 CO 0.71 -0.15 1.21 0.74 0.04 0.00 0.00 177.00 179.55 3ias h PHE 432 N 3.14 -0.01 -3.57 0.56 -1.00 -1.89 -3.39 116.94 110.78 3ias h PHE 432 Ca -0.48 -0.00 -0.65 0.00 2.81 0.00 0.00 57.97 59.65 3ias h PHE 432 Cb 1.23 0.00 -0.40 0.00 3.61 0.00 0.00 35.95 40.39 3ias h PHE 432 CO 0.56 0.52 -0.69 0.00 -1.61 0.00 0.00 178.31 177.09 3ias s ALA 433 N -4.07 3.02 -0.46 2.45 0.00 -1.26 -3.42 121.76 118.02 3ias s ALA 433 Ca -0.16 -2.79 -0.24 0.00 0.00 0.00 0.00 51.96 48.77 3ias s ALA 433 Cb 0.01 -2.03 0.03 0.00 0.00 0.00 0.00 23.12 21.13 3ias s ALA 433 CO 0.67 -1.81 0.84 0.34 0.00 0.00 0.00 175.76 175.80 3ias s ASP 434 N 0.49 6.44 0.42 0.00 -1.08 -1.26 -4.14 116.67 117.53 3ias s ASP 434 Ca 0.13 -0.05 0.29 0.00 -0.52 0.00 0.00 52.55 52.41 3ias s ASP 434 Cb -0.21 -2.41 1.36 0.00 -1.46 0.00 0.00 42.92 40.20 3ias s ASP 434 CO -0.05 -0.97 1.88 -0.07 0.52 0.00 0.00 175.17 176.48 3ias h LEU 435 N 10.31 0.00 -0.91 -1.34 -0.00 -1.91 -2.29 115.31 119.17 3ias h LEU 435 Ca -0.25 0.00 0.11 0.00 -0.00 0.00 0.00 57.88 57.75 3ias h LEU 435 Cb 1.08 0.00 -0.08 0.00 -0.00 0.00 0.00 40.66 41.66 3ias h LEU 435 CO 0.99 0.00 0.54 -0.61 -0.00 0.00 0.00 178.44 179.35 3ias h GLN 436 N 0.00 0.83 -5.89 1.13 4.15 -1.90 -3.38 115.11 110.04 3ias h GLN 436 Ca 0.00 -0.05 -0.62 0.00 0.77 0.00 0.00 58.65 58.75 3ias h GLN 436 Cb 0.27 -0.19 -0.12 0.00 0.21 0.00 0.00 27.48 27.66 3ias h GLN 436 CO 0.00 0.55 0.43 0.42 -1.93 0.00 0.00 178.83 178.29 3ias s ILE 437 N -5.99 4.60 0.03 2.39 1.01 -0.86 -5.04 121.20 117.34 3ias s ILE 437 Ca -0.12 0.55 -0.01 0.00 0.00 0.00 0.00 60.65 61.07 3ias s ILE 437 Cb 0.21 -4.35 -0.04 0.00 0.01 0.00 0.00 42.46 38.29 3ias s ILE 437 CO 0.79 -0.73 0.20 -0.54 0.00 0.00 0.00 174.94 174.66 3ias s LYS 438 N 3.42 3.44 0.41 2.79 -0.14 -1.26 -3.96 119.74 124.43 3ias s LYS 438 Ca 0.32 -0.38 -0.26 0.00 -1.36 0.00 0.00 55.97 54.30 3ias s LYS 438 Cb -0.12 -3.06 -0.09 0.00 -1.68 0.00 0.00 37.83 32.89 3ias s LYS 438 CO 0.23 0.64 1.27 -2.00 -0.76 0.00 0.00 175.35 174.73 3ias s GLU 439 N -2.25 3.98 -1.14 1.68 2.12 -1.26 -3.71 118.70 118.11 3ias s GLU 439 Ca 0.32 2.07 -0.06 0.00 0.36 0.00 0.00 54.97 57.65 3ias s GLU 439 Cb -0.13 -2.73 -0.03 0.00 0.26 0.00 0.00 34.13 31.50 3ias s GLU 439 CO 0.24 -0.46 0.88 -2.13 -0.54 0.00 0.00 175.26 173.25 3ias n ARG 440 N 0.10 -3.48 -1.63 4.30 3.00 -1.26 -4.96 116.66 112.72 3ias n ARG 440 Ca 0.04 0.75 -0.31 0.00 -0.00 0.00 0.00 57.85 58.34 3ias n ARG 440 Cb 0.44 -5.44 0.06 0.00 0.00 0.00 0.00 32.46 27.52 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 -5.14 2.77 -0.01 -0.14 -1.94 -1.24 -5.04 119.30 108.56 3ias s MET 441 Ca 0.28 0.79 -0.25 0.00 -1.71 0.00 0.00 55.69 54.81 3ias s MET 441 Cb -0.06 -1.98 -0.04 0.00 2.01 0.00 0.00 34.83 34.76 3ias s MET 441 CO 0.77 -1.17 0.77 -1.25 -0.01 0.00 0.00 175.02 174.12 3ias s PRO 442 N -5.12 4.48 -0.27 2.03 0.04 -1.26 -5.06 135.00 129.83 3ias s PRO 442 Ca 0.58 1.03 -0.11 0.00 0.04 0.00 0.00 61.00 62.55 3ias s PRO 442 Cb -0.13 -3.41 -0.05 0.00 0.04 0.00 0.00 34.50 30.95 3ias s PRO 442 CO 0.54 0.15 0.17 1.03 0.04 0.00 0.00 177.00 178.94 3ias s ARG 443 N 0.44 3.93 -0.02 4.56 0.52 -1.26 -4.71 118.95 122.41 3ias s ARG 443 Ca 0.40 -0.33 -0.30 0.00 -0.52 0.00 0.00 55.73 54.98 3ias s ARG 443 Cb -0.19 -3.61 -0.03 0.00 0.52 0.00 0.00 34.95 31.63 3ias s ARG 443 CO 0.22 -0.15 1.09 1.03 0.02 0.00 0.00 175.30 177.50 3ias s ARG 444 N 1.66 4.46 0.00 3.54 0.52 -0.89 -4.93 118.95 123.31 3ias s ARG 444 Ca 0.07 1.55 0.25 0.00 -0.52 0.00 0.00 55.73 57.08 3ias s ARG 444 Cb -0.16 -3.47 0.64 0.00 0.52 0.00 0.00 34.95 32.49 3ias s ARG 444 CO 0.09 -0.24 1.51 0.25 0.02 0.00 0.00 175.30 176.94 3ias n THR 445 N 4.19 0.10 1.17 0.02 -2.24 -1.26 -4.03 114.28 112.23 3ias n THR 445 Ca 0.08 -0.41 0.13 0.00 -2.27 0.00 0.00 64.05 61.58 3ias n THR 445 Cb 0.48 0.86 0.31 0.00 -2.10 0.00 0.00 70.33 69.89 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 0.75 2.29 -0.95 3.42 5.75 -1.26 -1.09 116.55 125.46 3ias n ASP 446 Ca 0.17 -1.77 0.12 0.00 -0.01 0.00 0.00 54.79 53.31 3ias n ASP 446 Cb 0.46 -0.03 0.18 0.00 -1.03 0.00 0.00 41.12 40.70 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 0.78 2.29 -3.65 0.11 4.81 -1.26 -4.96 118.16 116.28 3ias n LYS 447 Ca 0.17 -1.89 -0.15 0.00 -0.87 0.00 0.00 58.31 55.56 3ias n LYS 447 Cb 0.47 -1.47 -0.07 0.00 0.02 0.00 0.00 35.03 33.98 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 0.85 -0.06 1.64 0.00 -1.26 -1.37 119.30 117.23 3ias s MET 448 Ca 0.32 -0.02 0.01 0.00 0.00 0.00 0.00 55.69 56.00 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 -0.25 -0.05 0.00 0.00 0.00 0.00 175.02 175.02 3ias s ALA 449 N -1.36 0.84 -0.19 4.11 0.00 0.71 -3.85 121.76 122.02 3ias s ALA 449 Ca -0.12 -0.17 0.01 0.00 0.00 0.00 0.00 51.96 51.68 3ias s ALA 449 Cb -0.03 -0.54 0.03 0.00 0.00 0.00 0.00 23.12 22.59 3ias s ALA 449 CO 0.06 -0.09 -0.15 -1.17 0.00 0.00 0.00 175.76 174.41 3ias s LEU 450 N 1.09 2.29 -0.19 0.00 1.98 -0.66 0.20 118.68 123.39 3ias s LEU 450 Ca -0.08 -0.80 0.01 0.00 -2.89 0.00 0.00 54.13 50.37 3ias s LEU 450 Cb -0.14 -1.36 0.02 0.00 0.66 0.00 0.00 46.19 45.37 3ias s LEU 450 CO -0.01 -0.08 -0.19 -0.36 -1.89 0.00 0.00 176.35 173.82 3ias s PHE 451 N 1.33 2.82 0.04 5.38 0.08 0.56 -2.22 117.98 125.98 3ias s PHE 451 Ca 0.01 -1.69 -0.23 0.00 0.12 0.00 0.00 56.93 55.14 3ias s PHE 451 Cb -0.15 -1.93 0.05 0.00 -0.57 0.00 0.00 43.02 40.43 3ias s PHE 451 CO -0.10 -0.81 0.54 0.00 -0.10 0.00 0.00 175.22 174.75 3ias s ALA 452 N 1.28 -1.39 -1.50 5.36 0.00 -1.15 -1.23 121.76 123.13 3ias s ALA 452 Ca 0.04 0.66 0.00 0.00 0.00 0.00 0.00 51.96 52.66 3ias s ALA 452 Cb -0.14 0.38 0.00 0.00 0.00 0.00 0.00 23.12 23.36 3ias s ALA 452 CO -0.12 -0.51 0.20 -0.35 0.00 0.00 0.00 175.76 174.98 3ias n PRO 453 N 0.41 0.00 -3.87 0.00 -0.04 -1.26 -2.99 135.00 127.25 3ias n PRO 453 Ca -0.18 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.17 3ias n PRO 453 Cb 0.60 -1.27 0.01 0.00 -0.04 0.00 0.00 33.50 32.81 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 -1.63 0.35 -0.98 0.54 -0.85 -1.26 -4.65 117.35 108.87 3ias s TYR 454 Ca 0.00 -0.94 -0.24 0.00 -0.52 0.00 0.00 57.07 55.37 3ias s TYR 454 Cb 0.00 0.64 -0.04 0.00 0.38 0.00 0.00 41.96 42.94 3ias s TYR 454 CO 0.00 -1.50 1.87 0.50 -1.52 0.00 0.00 175.55 174.90 3ias s ARG 455 N -2.37 2.73 0.75 -3.49 6.06 -1.26 -4.77 118.95 116.60 3ias s ARG 455 Ca 0.19 -0.61 -0.13 0.00 -2.50 0.00 0.00 55.73 52.68 3ias s ARG 455 Cb -0.04 -5.15 0.05 0.00 0.06 0.00 0.00 34.95 29.87 3ias s ARG 455 CO 0.14 -3.29 1.13 0.00 -2.50 0.00 0.00 175.30 170.78 3ias s ALA 456 N 9.37 2.15 0.12 6.12 0.00 -1.26 -4.95 121.76 133.30 3ias s ALA 456 Ca 0.66 0.54 -0.15 0.00 0.00 0.00 0.00 51.96 53.01 3ias s ALA 456 Cb -0.04 -3.36 -0.03 0.00 0.00 0.00 0.00 23.12 19.69 3ias s ALA 456 CO 0.01 -1.82 1.58 -1.35 0.00 0.00 0.00 175.76 174.17 3ias h PRO 457 N -0.73 0.65 -0.30 0.00 0.11 -1.99 -2.82 132.00 126.92 3ias h PRO 457 Ca -0.45 -0.19 0.00 0.00 0.11 0.00 0.00 66.00 65.46 3ias h PRO 457 Cb 1.26 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3ias h PRO 457 CO 0.50 0.73 0.00 1.28 -0.21 0.00 0.00 178.00 180.30 3ias n LEU 458 N -4.50 0.30 0.09 2.35 4.32 -1.26 -2.78 117.00 115.50 3ias n LEU 458 Ca -0.01 -0.15 0.12 0.00 -0.02 0.00 0.00 56.01 55.95 3ias n LEU 458 Cb 0.26 -0.15 0.46 0.00 -1.62 0.00 0.00 43.42 42.37 3ias n LEU 458 CO 0.40 0.07 0.88 0.80 -1.22 0.00 0.00 177.39 178.32 3ias n MET 459 N -0.32 0.18 -0.00 3.23 1.56 -1.06 -3.06 117.12 117.64 3ias n MET 459 Ca 0.00 0.24 -0.08 0.00 -0.27 0.00 0.00 57.70 57.59 3ias n MET 459 Cb 0.07 -1.75 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 0.56 -0.67 2.12 1.63 -1.74 -2.83 116.57 115.64 3ias h LYS 460 Ca 0.00 -0.32 -0.16 0.00 -0.85 0.00 0.00 60.65 59.32 3ias h LYS 460 Cb 0.55 0.02 -0.09 0.00 -0.60 0.00 0.00 32.23 32.10 3ias h LYS 460 CO 0.00 0.92 0.19 0.91 -3.45 0.00 0.00 179.45 178.02 3ias n TRP 461 N -4.00 2.26 -3.96 1.91 8.01 -1.17 -4.83 117.44 115.66 3ias n TRP 461 Ca -0.02 -1.10 -0.31 0.00 -1.31 0.00 0.00 57.50 54.76 3ias n TRP 461 Cb 0.56 -0.63 -0.15 0.00 -2.01 0.00 0.00 31.31 29.08 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 -2.95 2.22 0.05 6.99 0.00 -1.07 -4.46 121.76 122.54 3ias s ALA 462 Ca 0.54 -1.68 -0.33 0.00 0.00 0.00 0.00 51.96 50.50 3ias s ALA 462 Cb 0.43 -1.58 -0.18 0.00 0.00 0.00 0.00 23.12 21.79 3ias s ALA 462 CO 0.13 -1.32 1.49 0.00 0.00 0.00 0.00 175.76 176.06 3ias h ALA 463 N 7.87 -1.31 -1.92 0.00 0.00 -1.22 -3.38 119.26 119.29 3ias h ALA 463 Ca -0.15 -0.26 -0.57 0.00 0.00 0.00 0.00 54.91 53.93 3ias h ALA 463 Cb 1.05 0.46 -0.05 0.00 0.00 0.00 0.00 17.79 19.25 3ias h ALA 463 CO 0.45 -1.23 1.00 0.42 0.00 0.00 0.00 179.25 179.88 3ias s ILE 464 N -5.56 4.07 -0.28 0.00 -1.09 -1.26 -4.97 121.20 112.11 3ias s ILE 464 Ca -0.17 1.19 -0.21 0.00 -2.23 0.00 0.00 60.65 59.22 3ias s ILE 464 Cb 0.02 -4.15 0.10 0.00 -1.58 0.00 0.00 42.46 36.85 3ias s ILE 464 CO 0.51 -0.53 0.87 -1.38 -1.23 0.00 0.00 174.94 173.19 3ias s HIS 465 N 4.63 -0.69 0.02 3.97 -3.43 -1.26 -1.65 115.29 116.87 3ias s HIS 465 Ca 0.58 1.55 -0.16 0.00 -0.80 0.00 0.00 55.06 56.23 3ias s HIS 465 Cb -0.16 0.39 0.03 0.00 -1.43 0.00 0.00 32.58 31.40 3ias s HIS 465 CO 0.25 -0.34 0.36 -2.00 -2.00 0.00 0.00 174.74 171.02 3ias s GLU 466 N 0.76 0.80 -0.14 -0.38 2.12 -0.94 -4.98 118.70 115.95 3ias s GLU 466 Ca -0.03 -0.30 -0.17 0.00 0.36 0.00 0.00 54.97 54.83 3ias s GLU 466 Cb -0.05 0.36 -0.04 0.00 0.26 0.00 0.00 34.13 34.66 3ias s GLU 466 CO -0.09 -0.25 0.43 0.08 -0.54 0.00 0.00 175.26 174.89 3ias s VAL 467 N -1.99 5.21 0.22 3.70 1.01 -1.26 -2.93 120.40 124.36 3ias s VAL 467 Ca -0.09 0.84 0.00 0.00 0.00 0.00 0.00 61.98 62.74 3ias s VAL 467 Cb -0.02 -3.77 0.00 0.00 0.00 0.00 0.00 36.38 32.59 3ias s VAL 467 CO 0.01 0.33 0.04 0.00 0.00 0.00 0.00 175.10 175.47 3ias n HIS 468 N 3.77 0.09 -3.94 5.22 1.44 -1.16 -4.99 115.22 115.66 3ias n HIS 468 Ca -0.08 -1.02 -0.22 0.00 -2.01 0.00 0.00 57.72 54.39 3ias n HIS 468 Cb 0.52 -0.15 -0.04 0.00 0.12 0.00 0.00 29.99 30.43 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 -2.80 2.72 0.61 -1.40 1.70 -1.26 -4.22 118.95 114.29 3ias s ARG 469 Ca 0.03 -1.27 -0.18 0.00 -0.47 0.00 0.00 55.73 53.85 3ias s ARG 469 Cb -0.00 -2.45 -0.14 0.00 -0.57 0.00 0.00 34.95 31.79 3ias s ARG 469 CO 0.02 0.18 -0.13 -2.30 -1.08 0.00 0.00 175.30 171.99 3ias n PRO 470 N -1.28 0.07 -3.02 3.89 -0.02 -1.26 -3.24 135.00 130.14 3ias n PRO 470 Ca -0.04 0.03 -0.10 0.00 -2.02 0.00 0.00 63.50 61.37 3ias n PRO 470 Cb 0.59 -1.13 0.00 0.00 -0.02 0.00 0.00 33.50 32.95 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 2.54 -0.52 0.00 -1.23 0.00 -1.26 -4.78 105.19 99.94 3ias n GLY 471 Ca 0.07 0.24 0.00 0.00 0.00 0.00 0.00 46.02 46.33 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 -1.35 0.00 0.26 1.61 2.13 -1.20 -4.79 120.64 117.30 3ias n GLU 472 Ca -0.13 0.00 0.10 0.00 0.66 0.00 0.00 57.16 57.79 3ias n GLU 472 Cb 0.28 -0.36 0.69 0.00 0.27 0.00 0.00 31.44 32.32 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 -0.99 5.31 9.09 -1.86 -2.51 114.58 123.61 3ias h GLU 473 Ca 0.00 0.00 0.21 0.00 0.05 0.00 0.00 59.36 59.62 3ias h GLU 473 Cb 0.41 0.00 -0.10 0.00 -1.65 0.00 0.00 28.75 27.41 3ias h GLU 473 CO 0.00 0.09 0.62 0.07 0.05 0.00 0.00 179.01 179.84 3ias h ARG 474 N 0.00 0.58 0.13 1.06 0.11 -1.94 0.46 114.38 114.78 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 0.18 -0.13 -0.00 0.00 1.11 0.00 0.00 29.97 31.13 3ias h ARG 474 CO 0.01 0.38 -1.40 0.93 0.10 0.00 0.00 179.97 179.99 3ias h GLU 475 N 0.60 0.26 -0.32 0.08 5.08 -1.84 -2.65 114.58 115.80 3ias h GLU 475 Ca 0.56 -0.45 -0.06 0.00 -1.00 0.00 0.00 59.36 58.41 3ias h GLU 475 Cb 1.11 0.17 -0.01 0.00 0.50 0.00 0.00 28.75 30.52 3ias h GLU 475 CO -0.33 1.16 -0.03 0.82 -1.00 0.00 0.00 179.01 179.64 3ias h ILE 476 N 0.07 1.27 -0.95 3.13 5.03 -1.28 -0.09 117.51 124.69 3ias h ILE 476 Ca -0.20 -1.02 0.00 0.00 -0.12 0.00 0.00 64.86 63.53 3ias h ILE 476 Cb 2.00 1.29 -0.05 0.00 -3.03 0.00 0.00 36.82 37.04 3ias h ILE 476 CO 0.18 0.33 0.60 -0.07 -0.68 0.00 0.00 178.15 178.51 3ias h LEU 477 N 0.37 1.12 0.70 1.44 4.07 -0.23 -0.87 115.31 121.90 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 0.49 -0.28 -0.00 0.00 1.08 0.00 0.00 40.66 41.95 3ias h LEU 477 CO 0.02 0.83 -0.40 0.25 -1.08 0.00 0.00 178.44 178.06 3ias h LEU 478 N 1.30 -0.99 -0.69 1.67 6.46 -1.25 -2.49 115.31 119.32 3ias h LEU 478 Ca 0.34 0.05 0.15 0.00 -0.12 0.00 0.00 57.88 58.30 3ias h LEU 478 Cb -0.10 0.28 -0.12 0.00 -0.73 0.00 0.00 40.66 39.99 3ias h LEU 478 CO -0.07 -0.64 0.02 0.00 -0.62 0.00 0.00 178.44 177.13 3ias h ALA 479 N -0.79 0.72 -0.67 1.25 0.00 -0.68 -0.16 119.26 118.92 3ias h ALA 479 Ca -0.09 0.21 0.10 0.00 0.00 0.00 0.00 54.91 55.12 3ias h ALA 479 Cb 0.82 0.35 -0.07 0.00 0.00 0.00 0.00 17.79 18.89 3ias h ALA 479 CO 0.11 -0.40 0.30 -0.07 0.00 0.00 0.00 179.25 179.20 3ias h LEU 480 N 0.13 0.36 -0.76 0.00 3.38 -1.03 -1.43 115.31 115.97 3ias h LEU 480 Ca 0.37 0.07 0.13 0.00 0.09 0.00 0.00 57.88 58.54 3ias h LEU 480 Cb 0.62 0.02 -0.09 0.00 0.09 0.00 0.00 40.66 41.30 3ias h LEU 480 CO -0.58 0.20 0.33 -0.07 0.09 0.00 0.00 178.44 178.41 3ias h LEU 481 N 0.52 0.34 0.00 1.67 3.38 -0.56 -3.46 115.31 117.20 3ias h LEU 481 Ca 0.34 0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.41 3ias h LEU 481 Cb 0.39 0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.20 3ias h LEU 481 CO -0.29 0.15 0.00 0.61 0.09 0.00 0.00 178.44 178.99 3ias n GLY 482 N -1.32 1.00 1.38 0.83 0.00 -0.54 -5.04 105.19 101.51 3ias n GLY 482 Ca 0.14 0.00 0.12 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 4.04 -3.12 1.61 8.00 -1.24 -5.00 116.55 120.85 3ias n ASP 483 Ca 0.00 -2.03 -0.07 0.00 0.71 0.00 0.00 54.79 53.40 3ias n ASP 483 Cb 0.00 -0.50 0.02 0.00 -0.02 0.00 0.00 41.12 40.62 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 -1.06 1.91 -0.18 -1.24 -0.14 -1.26 -4.93 119.74 112.84 3ias s LYS 484 Ca 0.50 -1.22 -0.03 0.00 -1.36 0.00 0.00 55.97 53.86 3ias s LYS 484 Cb 0.26 0.54 -0.01 0.00 -1.68 0.00 0.00 37.83 36.94 3ias s LYS 484 CO 0.33 -0.89 -0.06 -2.00 -0.76 0.00 0.00 175.35 171.96 3ias s GLU 485 N -2.36 3.45 0.03 1.68 2.12 -1.26 -4.76 118.70 117.61 3ias s GLU 485 Ca 0.17 -0.61 0.00 0.00 0.36 0.00 0.00 54.97 54.89 3ias s GLU 485 Cb -0.04 -2.89 0.00 0.00 0.26 0.00 0.00 34.13 31.46 3ias s GLU 485 CO 0.09 0.02 0.02 0.41 -0.54 0.00 0.00 175.26 175.26 3ias n GLY 486 N 4.15 3.44 3.39 -1.50 0.00 -1.26 -5.01 105.19 108.40 3ias n GLY 486 Ca -0.18 -2.19 -0.29 0.00 0.00 0.00 0.00 46.02 43.36 3ias n GLY 486 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ias s SER 487 N -1.18 -0.04 0.17 1.61 1.04 -1.26 -4.72 113.70 109.32 3ias s SER 487 Ca 0.01 1.31 -0.14 0.00 0.48 0.00 0.00 55.95 57.61 3ias s SER 487 Cb -0.00 -1.99 0.11 0.00 0.10 0.00 0.00 66.02 64.24 3ias s SER 487 CO 0.01 -4.80 1.78 -0.33 0.98 0.00 0.00 173.24 170.87 3ias h GLU 488 N -3.03 0.42 -0.16 4.02 5.08 -2.00 -2.02 114.58 116.90 3ias h GLU 488 Ca -0.57 -0.03 0.05 0.00 -1.00 0.00 0.00 59.36 57.81 3ias h GLU 488 Cb 1.34 -0.09 -0.07 0.00 0.50 0.00 0.00 28.75 30.43 3ias h GLU 488 CO 0.43 0.28 -0.38 0.52 -1.00 0.00 0.00 179.01 178.86 3ias h MET 489 N 0.43 -0.42 -0.78 2.33 2.86 -1.94 0.31 114.93 117.72 3ias h MET 489 Ca 0.20 0.03 0.13 0.00 -2.06 0.00 0.00 59.70 58.00 3ias h MET 489 Cb 0.13 0.10 -0.05 0.00 0.06 0.00 0.00 31.60 31.83 3ias h MET 489 CO -0.16 -0.28 0.51 0.28 1.06 0.00 0.00 176.91 178.33 3ias h VAL 490 N -0.44 0.86 0.08 -2.22 2.07 -1.84 0.14 116.25 114.91 3ias h VAL 490 Ca 0.09 -0.20 -0.00 0.00 0.82 0.00 0.00 66.70 67.41 3ias h VAL 490 Cb 0.59 0.23 0.00 0.00 -1.52 0.00 0.00 31.29 30.60 3ias h VAL 490 CO -0.40 0.11 -0.04 0.00 0.02 0.00 0.00 177.57 177.26 3ias h ALA 491 N 1.63 -0.10 0.00 1.67 0.00 -0.00 0.35 119.26 122.80 3ias h ALA 491 Ca 0.38 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 3ias h ALA 491 Cb 0.66 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.49 3ias h ALA 491 CO -0.14 -0.42 -0.04 0.87 0.00 0.00 0.00 179.25 179.52 3ias h LYS 492 N -0.39 0.00 -0.10 0.00 1.57 0.36 -0.03 116.57 117.98 3ias h LYS 492 Ca -0.01 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.61 3ias h LYS 492 Cb 0.33 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.65 3ias h LYS 492 CO 0.02 0.04 -0.58 0.00 -0.57 0.00 0.00 179.45 178.36 3ias h ALA 493 N 1.96 0.21 0.75 3.86 0.00 -0.24 -1.53 119.26 124.27 3ias h ALA 493 Ca -0.00 -0.53 -0.03 0.00 0.00 0.00 0.00 54.91 54.34 3ias h ALA 493 Cb 0.10 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 3ias h ALA 493 CO 0.01 0.45 -0.44 -0.22 0.00 0.00 0.00 179.25 179.04 3ias h LYS 494 N 0.19 -1.08 -0.09 0.00 3.64 0.97 -0.66 116.57 119.55 3ias h LYS 494 Ca -0.04 0.07 0.03 0.00 -1.27 0.00 0.00 60.65 59.44 3ias h LYS 494 Cb 1.22 0.24 -0.00 0.00 -0.41 0.00 0.00 32.23 33.28 3ias h LYS 494 CO 0.12 -0.72 0.11 1.49 -2.27 0.00 0.00 179.45 178.18 3ias h GLU 495 N -1.12 0.00 0.27 1.90 4.81 -1.12 0.31 114.58 119.64 3ias h GLU 495 Ca -0.10 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.12 3ias h GLU 495 Cb 0.89 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.27 3ias h GLU 495 CO 0.11 0.00 -0.13 0.00 -0.73 0.00 0.00 179.01 178.26 3ias h ALA 496 N 1.86 -0.37 -0.42 2.92 0.00 -1.01 -2.15 119.26 120.10 3ias h ALA 496 Ca 0.04 -0.18 0.12 0.00 0.00 0.00 0.00 54.91 54.90 3ias h ALA 496 Cb 0.27 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 3ias h ALA 496 CO -0.00 -0.40 0.32 2.35 0.00 0.00 0.00 179.25 181.52 3ias h TRP 497 N -0.97 0.00 0.48 0.00 2.91 -0.04 0.75 115.95 119.08 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 0.47 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.13 3ias h TRP 497 CO 0.04 0.00 -0.23 0.93 -1.03 0.00 0.00 178.44 178.15 3ias h GLU 498 N 0.00 -0.62 0.00 2.65 4.39 -0.44 -2.97 114.58 117.58 3ias h GLU 498 Ca 0.20 0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.94 3ias h GLU 498 Cb 0.85 0.14 0.00 0.00 -0.10 0.00 0.00 28.75 29.64 3ias h GLU 498 CO -0.00 -0.42 0.00 1.63 -1.16 0.00 0.00 179.01 179.06 3ias n LYS 499 N -4.62 0.32 -2.15 2.33 5.02 -0.81 -4.70 118.16 113.55 3ias n LYS 499 Ca -0.08 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.79 3ias n LYS 499 Cb 0.26 -1.43 -0.03 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 0.21 -4.94 121.76 126.41 3ias s ALA 500 Ca 0.13 0.80 -0.04 0.00 0.00 0.00 0.00 51.96 52.85 3ias s ALA 500 Cb 0.06 -3.69 -0.02 0.00 0.00 0.00 0.00 23.12 19.47 3ias s ALA 500 CO 0.10 -1.28 0.17 0.87 0.00 0.00 0.00 175.76 175.62 3ias h LYS 501 N 8.96 -0.12 -2.12 0.00 6.56 -1.87 -3.43 116.57 124.55 3ias h LYS 501 Ca -0.35 0.01 -0.57 0.00 -1.06 0.00 0.00 60.65 58.67 3ias h LYS 501 Cb 1.16 0.03 -0.39 0.00 -0.57 0.00 0.00 32.23 32.45 3ias h LYS 501 CO 0.95 -0.08 -1.02 0.09 -2.06 0.00 0.00 179.45 177.33 3ias n ASN 502 N -4.33 0.41 -4.43 0.86 3.02 -1.26 -4.99 115.26 104.54 3ias n ASN 502 Ca -0.02 -2.70 -0.28 0.00 -0.03 0.00 0.00 54.58 51.56 3ias n ASN 502 Cb 0.05 -0.63 0.14 0.00 -0.61 0.00 0.00 39.78 38.74 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 -1.03 1.20 -0.01 3.52 0.04 -1.26 -1.86 135.00 135.59 3ias s PRO 503 Ca 0.35 -0.50 0.00 0.00 0.04 0.00 0.00 61.00 60.89 3ias s PRO 503 Cb 0.13 -2.01 0.01 0.00 0.04 0.00 0.00 34.50 32.68 3ias s PRO 503 CO -0.12 -1.97 -0.00 0.08 0.04 0.00 0.00 177.00 175.03 3ias s VAL 504 N -3.61 0.09 -0.22 -0.36 1.01 -0.56 -4.22 120.40 112.53 3ias s VAL 504 Ca 0.69 0.04 -0.14 0.00 0.00 0.00 0.00 61.98 62.58 3ias s VAL 504 Cb -0.06 -0.14 -0.04 0.00 0.00 0.00 0.00 36.38 36.14 3ias s VAL 504 CO 0.50 0.07 0.30 -0.22 0.00 0.00 0.00 175.10 175.75 3ias s LEU 505 N 0.48 4.13 -0.17 3.92 2.96 -0.80 -2.44 118.68 126.77 3ias s LEU 505 Ca -0.04 0.33 -0.02 0.00 -0.22 0.00 0.00 54.13 54.18 3ias s LEU 505 Cb -0.07 -2.34 -0.02 0.00 0.50 0.00 0.00 46.19 44.26 3ias s LEU 505 CO -0.01 -0.03 -0.07 -0.63 -1.32 0.00 0.00 176.35 174.29 3ias s ILE 506 N 1.27 3.41 0.02 6.68 1.01 -0.34 -1.02 121.20 132.23 3ias s ILE 506 Ca 0.14 -0.51 -0.11 0.00 0.00 0.00 0.00 60.65 60.17 3ias s ILE 506 Cb -0.14 -2.49 0.01 0.00 0.01 0.00 0.00 42.46 39.84 3ias s ILE 506 CO 0.07 0.48 0.22 -1.48 0.00 0.00 0.00 174.94 174.23 3ias s LEU 507 N 0.76 1.23 0.00 2.97 0.05 -1.07 -1.18 118.68 121.44 3ias s LEU 507 Ca -0.03 -0.20 0.00 0.00 0.05 0.00 0.00 54.13 53.94 3ias s LEU 507 Cb -0.15 1.02 0.00 0.00 -2.05 0.00 0.00 46.19 45.01 3ias s LEU 507 CO 0.02 -0.50 0.00 0.61 -0.55 0.00 0.00 176.35 175.93 3ias n GLY 508 N 0.98 1.95 0.00 -3.48 0.00 -1.08 -1.61 105.19 101.95 3ias n GLY 508 Ca -0.20 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.34 4.61 0.00 -1.26 -2.22 120.51 118.29 3ias n ALA 509 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.38 3ias n ALA 509 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 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 -0.32 0.50 0.00 0.00 -1.90 0.99 103.07 102.34 3ias h GLY 510 Ca 0.00 0.61 0.08 0.00 0.00 0.00 0.00 47.33 48.01 3ias h GLY 510 CO 0.00 -0.12 0.22 -2.08 0.00 0.00 0.00 176.54 174.55 3ias h VAL 511 N -0.07 0.82 -0.00 4.60 2.07 -1.84 -1.45 116.25 120.39 3ias h VAL 511 Ca 0.25 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 67.63 3ias h VAL 511 Cb 0.54 0.38 0.00 0.00 -1.52 0.00 0.00 31.29 30.69 3ias h VAL 511 CO -0.89 0.07 -0.14 -0.11 0.02 0.00 0.00 177.57 176.52 3ias n LEU 512 N -4.98 0.35 -0.18 2.57 7.94 -0.25 -2.50 117.00 119.95 3ias n LEU 512 Ca 0.07 0.13 0.07 0.00 -1.11 0.00 0.00 56.01 55.16 3ias n LEU 512 Cb 0.22 -0.27 -0.04 0.00 0.53 0.00 0.00 43.42 43.87 3ias n LEU 512 CO 0.24 0.07 0.12 1.67 -1.11 0.00 0.00 177.39 178.39 3ias n GLN 513 N -1.18 2.09 -4.03 1.96 -0.06 0.18 -1.89 117.38 114.45 3ias n GLN 513 Ca 0.11 -0.42 -0.31 0.00 -2.00 0.00 0.00 57.00 54.38 3ias n GLN 513 Cb 0.30 -1.19 -0.16 0.00 -4.06 0.00 0.00 30.24 25.13 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 -1.99 3.56 0.24 1.69 -1.08 -0.86 -4.56 116.67 113.66 3ias s ASP 514 Ca 0.09 -0.95 -0.07 0.00 -0.52 0.00 0.00 52.55 51.10 3ias s ASP 514 Cb 0.11 -1.34 0.43 0.00 -1.46 0.00 0.00 42.92 40.66 3ias s ASP 514 CO 0.45 -0.13 1.65 0.74 0.52 0.00 0.00 175.17 178.40 3ias h THR 515 N 6.39 0.40 0.00 1.71 2.02 -1.89 -0.85 112.91 120.69 3ias h THR 515 Ca -0.29 -0.05 0.00 0.00 0.77 0.00 0.00 66.41 66.84 3ias h THR 515 Cb 1.09 0.24 0.00 0.00 -1.74 0.00 0.00 68.15 67.75 3ias h THR 515 CO 0.50 0.03 0.00 0.52 0.37 0.00 0.00 175.52 176.94 3ias n VAL 516 N -5.29 0.00 0.12 3.16 0.31 -1.26 -1.05 118.33 114.32 3ias n VAL 516 Ca 0.13 1.31 -0.13 0.00 -0.01 0.00 0.00 64.34 65.64 3ias n VAL 516 Cb 0.46 -1.97 -0.06 0.00 -0.91 0.00 0.00 33.84 31.36 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 -1.57 -0.55 -0.95 3.52 0.00 -1.78 -2.14 119.26 115.81 3ias h ALA 517 Ca 0.00 -0.05 0.23 0.00 0.00 0.00 0.00 54.91 55.08 3ias h ALA 517 Cb 0.00 0.50 -0.18 0.00 0.00 0.00 0.00 17.79 18.12 3ias h ALA 517 CO 0.00 -0.86 -0.09 0.00 0.00 0.00 0.00 179.25 178.30 3ias h ALA 518 N 0.11 0.90 0.36 0.00 0.00 -0.84 0.52 119.26 120.30 3ias h ALA 518 Ca 0.03 0.34 -0.01 0.00 0.00 0.00 0.00 54.91 55.27 3ias h ALA 518 Cb 0.57 0.63 -0.00 0.00 0.00 0.00 0.00 17.79 18.98 3ias h ALA 518 CO -0.17 -0.47 -0.22 1.49 0.00 0.00 0.00 179.25 179.87 3ias h GLU 519 N 0.02 -0.54 -0.92 0.00 4.57 -0.45 -1.90 114.58 115.35 3ias h GLU 519 Ca 0.52 0.04 0.06 0.00 -1.18 0.00 0.00 59.36 58.79 3ias h GLU 519 Cb 0.95 0.12 -0.06 0.00 -0.16 0.00 0.00 28.75 29.60 3ias h GLU 519 CO -0.92 -0.36 0.60 0.00 -1.18 0.00 0.00 179.01 177.15 3ias h ARG 520 N -0.56 1.04 0.05 1.92 3.08 0.08 -1.38 114.38 118.62 3ias h ARG 520 Ca -0.04 -0.06 0.02 0.00 0.07 0.00 0.00 59.98 59.97 3ias h ARG 520 Cb 0.46 -0.24 -0.03 0.00 0.08 0.00 0.00 29.97 30.25 3ias h ARG 520 CO 0.04 0.69 -0.17 0.00 -1.07 0.00 0.00 179.97 179.46 3ias h ALA 521 N 1.49 -0.25 -0.96 0.04 0.00 0.12 -0.36 119.26 119.34 3ias h ALA 521 Ca 0.39 -0.01 0.09 0.00 0.00 0.00 0.00 54.91 55.38 3ias h ALA 521 Cb 0.16 0.28 -0.07 0.00 0.00 0.00 0.00 17.79 18.16 3ias h ALA 521 CO -0.14 -0.68 0.61 -0.09 0.00 0.00 0.00 179.25 178.95 3ias h ARG 522 N -0.30 1.02 0.05 0.00 2.43 -0.48 -1.53 114.38 115.56 3ias h ARG 522 Ca 0.04 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.14 3ias h ARG 522 Cb 0.35 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 29.67 3ias h ARG 522 CO -0.13 0.67 -0.02 1.25 -1.51 0.00 0.00 179.97 180.23 3ias h LEU 523 N 1.05 -0.05 -1.79 3.80 6.46 -0.72 0.27 115.31 124.32 3ias h LEU 523 Ca 0.44 -0.15 0.15 0.00 -0.12 0.00 0.00 57.88 58.20 3ias h LEU 523 Cb 0.29 0.01 -0.03 0.00 -0.73 0.00 0.00 40.66 40.20 3ias h LEU 523 CO -0.21 0.12 0.44 0.25 -0.62 0.00 0.00 178.44 178.42 3ias h LEU 524 N -0.23 0.19 -0.23 2.25 5.85 -0.48 -0.72 115.31 121.94 3ias h LEU 524 Ca -0.01 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3ias h LEU 524 Cb 0.20 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.20 3ias h LEU 524 CO 0.01 0.10 -0.49 0.00 -0.34 0.00 0.00 178.44 177.72 3ias n ALA 525 N -2.58 3.57 -0.09 1.25 0.00 -0.63 -3.06 120.51 118.96 3ias n ALA 525 Ca 0.12 -0.42 -0.22 0.00 0.00 0.00 0.00 53.44 52.92 3ias n ALA 525 Cb 0.57 -1.05 -0.12 0.00 0.00 0.00 0.00 19.45 18.85 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 0.57 0.03 -0.04 0.00 5.08 0.41 -3.18 114.58 117.44 3ias h GLU 526 Ca 0.00 -0.05 0.04 0.00 -1.00 0.00 0.00 59.36 58.35 3ias h GLU 526 Cb 0.52 0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.74 3ias h GLU 526 CO 0.00 1.02 -0.30 0.00 -1.00 0.00 0.00 179.01 178.73 3ias h ARG 527 N -0.90 -0.41 -5.94 2.33 3.08 -1.33 -3.35 114.38 107.86 3ias h ARG 527 Ca -0.34 0.03 -0.57 0.00 0.07 0.00 0.00 59.98 59.17 3ias h ARG 527 Cb 1.36 0.09 -0.06 0.00 0.08 0.00 0.00 29.97 31.44 3ias h ARG 527 CO -0.17 -0.27 0.07 0.21 -1.07 0.00 0.00 179.97 178.74 3ias s LYS 528 N -6.02 4.39 -0.66 0.04 2.20 -1.17 -4.95 119.74 113.56 3ias s LYS 528 Ca -0.15 0.79 -0.14 0.00 -0.36 0.00 0.00 55.97 56.11 3ias s LYS 528 Cb 0.09 -3.47 -0.12 0.00 -1.51 0.00 0.00 37.83 32.83 3ias s LYS 528 CO 0.66 0.03 1.85 0.41 -0.36 0.00 0.00 175.35 177.93 3ias n GLY 529 N 3.22 2.49 3.40 5.54 0.00 -1.26 -4.53 105.19 114.05 3ias n GLY 529 Ca -0.02 -0.91 -0.27 0.00 0.00 0.00 0.00 46.02 44.82 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 4.55 2.41 0.33 4.61 0.00 -1.20 -4.94 121.76 127.51 3ias s ALA 530 Ca 0.44 -1.55 0.06 0.00 0.00 0.00 0.00 51.96 50.91 3ias s ALA 530 Cb 0.11 -0.34 -0.01 0.00 0.00 0.00 0.00 23.12 22.88 3ias s ALA 530 CO 0.06 0.46 0.47 0.15 0.00 0.00 0.00 175.76 176.90 3ias s LYS 531 N -2.40 3.18 0.06 0.00 1.02 -1.26 -4.73 119.74 115.60 3ias s LYS 531 Ca 0.17 -0.90 0.04 0.00 0.02 0.00 0.00 55.97 55.30 3ias s LYS 531 Cb -0.09 -2.80 -0.03 0.00 -0.52 0.00 0.00 37.83 34.39 3ias s LYS 531 CO 0.08 0.10 -0.12 0.08 -0.92 0.00 0.00 175.35 174.57 3ias s VAL 532 N -2.18 0.90 -0.43 3.17 1.01 -0.60 -1.90 120.40 120.37 3ias s VAL 532 Ca 0.43 -1.16 -0.07 0.00 0.00 0.00 0.00 61.98 61.18 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 0.31 -0.24 0.26 -0.76 0.00 0.00 0.00 175.10 174.68 3ias s LEU 533 N -1.56 5.32 -0.66 3.92 1.43 -0.19 -2.37 118.68 124.56 3ias s LEU 533 Ca -0.04 -1.77 -0.27 0.00 -1.03 0.00 0.00 54.13 51.01 3ias s LEU 533 Cb -0.09 -1.94 0.02 0.00 0.03 0.00 0.00 46.19 44.20 3ias s LEU 533 CO 0.01 -0.58 1.42 0.00 0.23 0.00 0.00 176.35 177.43 3ias s ALA 534 N 1.32 2.67 -0.52 4.21 0.00 -1.26 -2.59 121.76 125.59 3ias s ALA 534 Ca 0.05 -1.02 -0.07 0.00 0.00 0.00 0.00 51.96 50.92 3ias s ALA 534 Cb -0.24 -4.22 -0.20 0.00 0.00 0.00 0.00 23.12 18.46 3ias s ALA 534 CO -0.01 -3.28 3.28 -1.33 0.00 0.00 0.00 175.76 174.42 3ias n MET 535 N 9.11 2.45 -1.43 0.00 2.81 -0.63 -4.83 117.12 124.60 3ias n MET 535 Ca 0.09 -1.34 -0.40 0.00 -1.81 0.00 0.00 57.70 54.23 3ias n MET 535 Cb 0.50 -2.24 0.02 0.00 -0.71 0.00 0.00 33.22 30.78 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 2.90 1.69 1.62 2.03 -2.24 -1.26 -4.50 114.28 114.51 3ias n THR 536 Ca 0.53 -0.50 0.14 0.00 -2.27 0.00 0.00 64.05 61.95 3ias n THR 536 Cb 0.66 -0.51 0.62 0.00 -2.10 0.00 0.00 70.33 69.00 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 0.51 1.51 -4.18 -0.78 -0.05 -1.26 -4.57 135.00 126.17 3ias n PRO 537 Ca 0.11 -0.74 -0.34 0.00 -0.05 0.00 0.00 63.50 62.48 3ias n PRO 537 Cb 0.43 -1.48 -0.12 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 -2.00 3.07 0.08 0.55 0.00 -1.26 -4.39 121.76 117.82 3ias s ALA 538 Ca 0.40 -0.90 -0.31 0.00 0.00 0.00 0.00 51.96 51.16 3ias s ALA 538 Cb 0.21 -1.72 -0.16 0.00 0.00 0.00 0.00 23.12 21.45 3ias s ALA 538 CO 0.34 0.02 1.64 0.00 0.00 0.00 0.00 175.76 177.76 3ias h ALA 539 N 7.11 -0.72 -0.99 0.00 0.00 -1.83 -2.80 119.26 120.03 3ias h ALA 539 Ca -0.34 -0.14 -0.65 0.00 0.00 0.00 0.00 54.91 53.77 3ias h ALA 539 Cb 1.18 0.36 -0.29 0.00 0.00 0.00 0.00 17.79 19.04 3ias h ALA 539 CO 0.63 -0.92 0.84 -1.71 0.00 0.00 0.00 179.25 178.09 3ias n ASN 540 N -5.42 7.18 0.39 0.00 5.15 -0.46 -4.09 115.26 118.01 3ias n ASN 540 Ca -0.11 -3.75 -0.19 0.00 -0.60 0.00 0.00 54.58 49.93 3ias n ASN 540 Cb 0.32 -0.96 -0.10 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 1.86 -1.17 -0.04 5.20 0.00 -1.69 -0.01 119.26 123.40 3ias h ALA 541 Ca 0.61 -0.23 0.01 0.00 0.00 0.00 0.00 54.91 55.30 3ias h ALA 541 Cb 1.08 0.59 -0.00 0.00 0.00 0.00 0.00 17.79 19.46 3ias h ALA 541 CO 1.52 -1.18 0.09 -0.09 0.00 0.00 0.00 179.25 179.59 3ias h ARG 542 N -1.11 0.00 0.17 0.00 9.65 -1.85 -1.02 114.38 120.21 3ias h ARG 542 Ca -0.09 0.00 -0.32 0.00 -1.10 0.00 0.00 59.98 58.47 3ias h ARG 542 Cb 0.90 0.00 0.01 0.00 -1.39 0.00 0.00 29.97 29.49 3ias h ARG 542 CO 0.07 0.00 -1.56 0.78 2.80 0.00 0.00 179.97 182.06 3ias h GLY 543 N 0.00 0.41 2.00 2.80 0.00 -1.57 -3.14 103.07 103.57 3ias h GLY 543 Ca 0.02 -1.04 -0.10 0.00 0.00 0.00 0.00 47.33 46.22 3ias h GLY 543 CO -0.00 0.91 -0.46 1.41 0.00 0.00 0.00 176.54 178.39 3ias h LEU 544 N -0.06 0.00 -0.78 3.11 3.38 -0.42 -2.85 115.31 117.70 3ias h LEU 544 Ca -0.31 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.53 3ias h LEU 544 Cb 1.97 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.71 3ias h LEU 544 CO 0.15 0.46 -0.44 -0.33 0.09 0.00 0.00 178.44 178.37 3ias h GLU 545 N 0.00 0.38 0.00 1.13 5.08 -1.33 -2.06 114.58 117.78 3ias h GLU 545 Ca -0.00 -0.20 0.00 0.00 -1.00 0.00 0.00 59.36 58.16 3ias h GLU 545 Cb 0.99 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.25 3ias h GLU 545 CO 0.06 0.75 0.00 0.00 -1.00 0.00 0.00 179.01 178.82 3ias h ALA 546 N 1.22 1.00 0.00 3.43 0.00 -1.45 -2.92 119.26 120.54 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 0.91 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.70 3ias h ALA 546 CO 0.08 0.00 -1.11 -1.33 0.00 0.00 0.00 179.25 176.89 3ias n MET 547 N -2.59 0.34 -1.92 0.00 2.81 -1.06 -4.99 117.12 109.70 3ias n MET 547 Ca 0.02 -0.03 0.00 0.00 -1.81 0.00 0.00 57.70 55.88 3ias n MET 547 Cb 0.28 -1.46 0.00 0.00 -0.71 0.00 0.00 33.22 31.33 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 1.45 0.88 1.78 3.03 0.00 -1.01 -4.79 105.19 106.55 3ias n GLY 548 Ca 0.03 -0.60 -0.14 0.00 0.00 0.00 0.00 46.02 45.31 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 -2.44 2.53 -4.30 1.61 0.31 -0.81 -4.86 118.33 110.38 3ias n VAL 549 Ca 0.00 -1.38 -0.35 0.00 -0.01 0.00 0.00 64.34 62.60 3ias n VAL 549 Cb 0.41 -1.23 -0.09 0.00 -0.91 0.00 0.00 33.84 32.01 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 -1.58 3.64 0.85 7.52 1.02 -1.25 -3.42 118.68 125.46 3ias s LEU 550 Ca 0.27 0.14 -0.13 0.00 0.02 0.00 0.00 54.13 54.43 3ias s LEU 550 Cb 0.21 -1.85 0.07 0.00 0.02 0.00 0.00 46.19 44.64 3ias s LEU 550 CO 0.01 0.34 0.91 -0.81 0.02 0.00 0.00 176.35 176.82 3ias n PRO 551 N 2.39 -0.03 0.00 1.29 -0.04 -0.43 -4.70 135.00 133.48 3ias n PRO 551 Ca -0.18 0.06 0.00 0.00 -0.04 0.00 0.00 63.50 63.34 3ias n PRO 551 Cb 0.53 -2.21 0.00 0.00 -0.04 0.00 0.00 33.50 31.79 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 0.87 1.78 0.08 0.55 0.00 0.75 -4.96 105.19 104.25 3ias n GLY 552 Ca 0.11 -1.86 -0.12 0.00 0.00 0.00 0.00 46.02 44.15 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 -1.12 0.10 -2.54 4.61 0.00 -1.96 -3.37 119.26 114.98 3ias h ALA 553 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.76 3ias h ALA 553 Cb 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.76 3ias h ALA 553 CO 0.00 -0.26 0.00 1.17 0.00 0.00 0.00 179.25 180.16 3ias n LYS 554 N -4.88 0.00 0.00 0.00 3.00 -1.26 -4.97 118.16 110.04 3ias n LYS 554 Ca -0.07 0.54 0.00 0.00 -0.00 0.00 0.00 58.31 58.78 3ias n LYS 554 Cb 0.16 -1.08 0.00 0.00 0.00 0.00 0.00 35.03 34.12 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 -0.97 -0.96 1.36 3.14 0.00 -1.26 -5.10 105.19 101.40 3ias n GLY 555 Ca 0.00 0.42 -0.15 0.00 0.00 0.00 0.00 46.02 46.29 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 0.15 -2.74 4.61 0.00 -1.26 -4.83 120.51 116.43 3ias n ALA 556 Ca 0.00 -0.13 -0.07 0.00 0.00 0.00 0.00 53.44 53.24 3ias n ALA 556 Cb 0.00 -0.89 0.03 0.00 0.00 0.00 0.00 19.45 18.59 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 3.83 0.54 0.31 0.00 3.41 -1.25 -4.53 113.62 115.92 3ias n SER 557 Ca 0.26 -1.41 0.20 0.00 -0.26 0.00 0.00 58.87 57.65 3ias n SER 557 Cb 0.02 -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 -0.16 0.00 -0.01 7.33 5.08 -1.91 -1.88 115.95 124.39 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 0.37 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.53 3ias h TRP 558 CO 0.00 0.01 -0.08 -0.40 -1.28 0.00 0.00 178.44 176.69 3ias n ASP 559 N -3.17 1.41 -4.55 0.11 5.75 -1.26 -4.64 116.55 110.20 3ias n ASP 559 Ca -0.02 -1.20 -0.41 0.00 -0.01 0.00 0.00 54.79 53.15 3ias n ASP 559 Cb 0.17 0.23 -0.08 0.00 -1.03 0.00 0.00 41.12 40.41 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 -0.95 3.56 -1.16 0.11 2.02 -0.71 -4.59 118.70 116.99 3ias s GLU 560 Ca 0.08 -0.27 -0.22 0.00 0.02 0.00 0.00 54.97 54.59 3ias s GLU 560 Cb 0.07 -3.82 -0.02 0.00 0.10 0.00 0.00 34.13 30.45 3ias s GLU 560 CO 0.15 -0.64 1.83 -1.25 0.02 0.00 0.00 175.26 175.38 3ias s PRO 561 N 2.30 3.04 -0.01 0.39 0.04 -1.26 -3.83 135.00 135.67 3ias s PRO 561 Ca 0.17 -1.28 -0.02 0.00 0.04 0.00 0.00 61.00 59.91 3ias s PRO 561 Cb -0.16 -5.31 -0.01 0.00 0.04 0.00 0.00 34.50 29.06 3ias s PRO 561 CO 0.13 -3.22 -0.04 0.41 0.04 0.00 0.00 177.00 174.32 3ias n GLY 562 N 5.95 -0.28 3.27 0.56 0.00 -1.26 -5.02 105.19 108.41 3ias n GLY 562 Ca 0.44 -0.03 -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 -2.77 -4.19 -0.04 4.61 0.00 -1.26 -5.00 120.51 111.86 3ias n ALA 563 Ca -0.01 -1.27 -0.06 0.00 0.00 0.00 0.00 53.44 52.10 3ias n ALA 563 Cb 0.05 -1.49 -0.04 0.00 0.00 0.00 0.00 19.45 17.97 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 -1.38 2.53 -4.07 0.00 7.94 -1.09 -4.77 117.00 116.15 3ias n LEU 564 Ca 0.01 -0.04 -0.32 0.00 -1.11 0.00 0.00 56.01 54.55 3ias n LEU 564 Cb 0.63 -0.24 -0.16 0.00 0.53 0.00 0.00 43.42 44.18 3ias n LEU 564 CO 0.52 0.58 -0.48 -0.31 -1.11 0.00 0.00 177.39 176.58 3ias s TYR 565 N -2.18 2.92 0.05 1.96 2.02 -0.85 -1.12 117.35 120.16 3ias s TYR 565 Ca -0.11 -1.95 0.02 0.00 -0.37 0.00 0.00 57.07 54.67 3ias s TYR 565 Cb 0.03 -1.86 -0.03 0.00 -0.40 0.00 0.00 41.96 39.70 3ias s TYR 565 CO 0.22 -0.83 -0.08 0.00 -1.57 0.00 0.00 175.55 173.29 3ias s ALA 566 N 1.23 0.69 -0.17 3.71 0.00 -0.85 0.98 121.76 127.35 3ias s ALA 566 Ca -0.03 -0.88 -0.08 0.00 0.00 0.00 0.00 51.96 50.98 3ias s ALA 566 Cb -0.17 0.05 -0.04 0.00 0.00 0.00 0.00 23.12 22.96 3ias s ALA 566 CO -0.08 -0.04 0.10 -0.47 0.00 0.00 0.00 175.76 175.27 3ias s TYR 567 N -1.72 3.38 -0.04 0.00 5.04 0.20 -1.84 117.35 122.37 3ias s TYR 567 Ca -0.06 0.28 0.07 0.00 -2.44 0.00 0.00 57.07 54.92 3ias s TYR 567 Cb -0.08 -2.06 -0.02 0.00 0.35 0.00 0.00 41.96 40.16 3ias s TYR 567 CO -0.00 0.36 -0.25 0.71 -1.34 0.00 0.00 175.55 175.02 3ias s TYR 568 N -0.04 2.38 -0.59 4.97 2.02 0.69 -1.12 117.35 125.66 3ias s TYR 568 Ca 0.08 -0.56 0.16 0.00 -0.37 0.00 0.00 57.07 56.38 3ias s TYR 568 Cb -0.12 -1.55 0.64 0.00 -0.40 0.00 0.00 41.96 40.54 3ias s TYR 568 CO 0.00 -0.11 1.55 0.41 -1.57 0.00 0.00 175.55 175.83 3ias n GLY 569 N 2.66 3.22 3.61 0.71 0.00 0.48 -0.02 105.19 115.86 3ias n GLY 569 Ca -0.17 -0.87 0.01 0.00 0.00 0.00 0.00 46.02 44.99 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 -2.28 -0.04 -0.39 1.61 -0.71 -1.26 -4.27 117.98 110.63 3ias s PHE 570 Ca 0.46 -0.05 -0.26 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 0.17 -0.24 0.92 0.08 -1.34 0.00 0.00 175.22 174.80 3ias s VAL 571 N -2.38 4.56 0.95 -2.49 1.01 -1.26 -4.92 120.40 115.87 3ias s VAL 571 Ca 0.14 1.06 -0.14 0.00 0.00 0.00 0.00 61.98 63.04 3ias s VAL 571 Cb 0.05 -4.35 0.21 0.00 0.00 0.00 0.00 36.38 32.29 3ias s VAL 571 CO -0.04 -0.61 1.30 -2.84 0.00 0.00 0.00 175.10 172.91 3ias s PRO 572 N 3.53 0.54 0.40 2.72 0.02 -1.26 -5.02 135.00 135.93 3ias s PRO 572 Ca 0.38 -0.65 -0.27 0.00 0.02 0.00 0.00 61.00 60.48 3ias s PRO 572 Cb -0.11 -1.91 -0.10 0.00 0.02 0.00 0.00 34.50 32.40 3ias s PRO 572 CO 0.21 -2.43 1.43 -1.25 -0.33 0.00 0.00 177.00 174.63 3ias s PRO 573 N -5.83 3.98 0.51 5.54 0.04 -1.26 -4.88 135.00 133.10 3ias s PRO 573 Ca 0.75 2.44 0.24 0.00 0.04 0.00 0.00 61.00 64.47 3ias s PRO 573 Cb -0.02 -2.86 1.33 0.00 0.04 0.00 0.00 34.50 32.99 3ias s PRO 573 CO 0.52 -0.59 1.98 1.49 0.04 0.00 0.00 177.00 180.45 3ias h GLU 574 N 2.79 0.08 -0.11 4.56 4.81 -1.87 -1.11 114.58 123.73 3ias h GLU 574 Ca -0.51 -0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 58.70 3ias h GLU 574 Cb 1.25 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.60 3ias h GLU 574 CO 0.63 0.05 -0.04 1.49 -0.73 0.00 0.00 179.01 180.41 3ias h GLU 575 N 0.08 0.15 0.00 1.92 4.57 -1.90 -2.69 114.58 116.72 3ias h GLU 575 Ca 0.28 -0.02 -0.13 0.00 -1.18 0.00 0.00 59.36 58.31 3ias h GLU 575 Cb 1.01 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 29.55 3ias h GLU 575 CO -0.02 0.21 -0.63 0.00 -1.18 0.00 0.00 179.01 177.39 3ias h ALA 576 N 1.81 0.68 0.07 2.92 0.00 -1.44 -3.36 119.26 119.94 3ias h ALA 576 Ca 0.04 -0.57 -0.00 0.00 0.00 0.00 0.00 54.91 54.37 3ias h ALA 576 Cb 0.18 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3ias h ALA 576 CO 0.01 0.78 -0.03 -0.07 0.00 0.00 0.00 179.25 179.94 3ias h LEU 577 N 0.00 -0.07 -6.84 0.00 -0.00 -1.55 -3.43 115.31 103.42 3ias h LEU 577 Ca -0.01 0.00 -0.67 0.00 -0.00 0.00 0.00 57.88 57.21 3ias h LEU 577 Cb 1.36 0.02 0.00 0.00 -0.00 0.00 0.00 40.66 42.04 3ias h LEU 577 CO 0.08 0.12 0.58 1.17 -0.00 0.00 0.00 178.44 180.39 3ias n LYS 578 N -3.19 0.00 0.00 1.13 4.81 -1.10 -2.10 118.16 117.71 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 -1.15 0.00 0.00 0.02 0.00 0.00 35.03 33.93 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 3.36 2.31 1.68 3.14 0.00 -1.26 -4.99 105.19 109.43 3ias n GLY 579 Ca 0.26 -0.76 -0.22 0.00 0.00 0.00 0.00 46.02 45.31 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 -0.89 -4.92 118.16 118.98 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 -0.51 -0.12 0.00 -0.02 0.00 0.00 35.03 34.38 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 0.22 0.27 -3.69 1.97 3.08 -1.45 -3.46 114.38 111.32 3ias h ARG 581 Ca -0.18 -0.33 -0.33 0.00 0.07 0.00 0.00 59.98 59.22 3ias h ARG 581 Cb 0.73 0.10 -0.33 0.00 0.08 0.00 0.00 29.97 30.55 3ias h ARG 581 CO 0.25 1.06 -0.74 0.12 -1.07 0.00 0.00 179.97 179.58 3ias s PHE 582 N -2.95 0.23 -0.14 3.04 5.36 -1.10 -5.04 117.98 117.39 3ias s PHE 582 Ca -0.15 0.03 -0.00 0.00 -0.96 0.00 0.00 56.93 55.85 3ias s PHE 582 Cb 0.02 -0.34 0.03 0.00 -0.34 0.00 0.00 43.02 42.38 3ias s PHE 582 CO 0.78 -0.11 -0.08 0.14 -1.46 0.00 0.00 175.22 174.50 3ias s VAL 583 N 0.94 1.15 -0.38 3.12 -7.23 -1.26 -2.00 120.40 114.74 3ias s VAL 583 Ca -0.09 -0.45 -0.10 0.00 -1.81 0.00 0.00 61.98 59.52 3ias s VAL 583 Cb -0.12 -1.19 0.03 0.00 0.56 0.00 0.00 36.38 35.65 3ias s VAL 583 CO -0.02 0.31 0.20 0.68 -0.31 0.00 0.00 175.10 175.97 3ias s VAL 584 N 1.65 4.48 -0.39 1.32 -7.23 -0.77 -1.95 120.40 117.51 3ias s VAL 584 Ca 0.04 -0.93 -0.15 0.00 -1.81 0.00 0.00 61.98 59.12 3ias s VAL 584 Cb -0.13 -3.53 0.01 0.00 0.56 0.00 0.00 36.38 33.29 3ias s VAL 584 CO -0.08 -0.26 0.34 -0.04 -0.31 0.00 0.00 175.10 174.75 3ias s MET 585 N 1.53 3.18 -1.19 4.82 -1.94 -0.38 -0.22 119.30 125.10 3ias s MET 585 Ca 0.02 -0.79 -0.05 0.00 -1.71 0.00 0.00 55.69 53.15 3ias s MET 585 Cb -0.20 -3.92 0.23 0.00 2.01 0.00 0.00 34.83 32.95 3ias s MET 585 CO 0.06 -0.69 1.86 1.58 -0.01 0.00 0.00 175.02 177.82 3ias n HIS 586 N 5.31 2.61 -1.69 -0.03 -0.00 0.97 -1.52 115.22 120.87 3ias n HIS 586 Ca -0.10 -2.68 -0.13 0.00 0.46 0.00 0.00 57.72 55.27 3ias n HIS 586 Cb 0.48 -1.58 0.08 0.00 -0.12 0.00 0.00 29.99 28.85 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 1.93 0.00 0.00 0.27 4.77 -1.18 -4.38 117.00 118.42 3ias n LEU 587 Ca 0.42 -0.76 0.00 0.00 -0.03 0.00 0.00 56.01 55.64 3ias n LEU 587 Cb 0.31 -0.42 0.00 0.00 -2.33 0.00 0.00 43.42 40.98 3ias n LEU 587 CO 0.71 -0.88 -0.42 -1.54 -1.33 0.00 0.00 177.39 173.93 3ias n SER 588 N -3.28 4.18 -4.30 -1.43 3.41 -1.26 -0.45 113.62 110.49 3ias n SER 588 Ca 0.08 0.00 -0.23 0.00 -0.26 0.00 0.00 58.87 58.45 3ias n SER 588 Cb 0.27 0.62 -0.12 0.00 -0.26 0.00 0.00 64.21 64.71 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 1.80 -0.55 7.33 3.76 -1.26 -1.71 115.29 122.90 3ias s HIS 589 Ca 0.00 -0.43 -0.28 0.00 -0.15 0.00 0.00 55.06 54.20 3ias s HIS 589 Cb 0.00 -0.97 0.02 0.00 1.11 0.00 0.00 32.58 32.75 3ias s HIS 589 CO 0.00 0.24 1.28 -1.17 -0.85 0.00 0.00 174.74 174.23 3ias s LEU 590 N -2.10 3.47 0.15 0.89 2.96 -1.26 -4.87 118.68 117.92 3ias s LEU 590 Ca 0.09 0.27 -0.20 0.00 -0.22 0.00 0.00 54.13 54.07 3ias s LEU 590 Cb -0.09 -3.21 -0.08 0.00 0.50 0.00 0.00 46.19 43.31 3ias s LEU 590 CO 0.05 -1.52 0.66 -2.28 -1.32 0.00 0.00 176.35 171.94 3ias s HIS 591 N 5.29 3.75 0.39 5.38 5.65 -1.26 -4.98 115.29 129.51 3ias s HIS 591 Ca 0.48 1.36 0.07 0.00 0.25 0.00 0.00 55.06 57.23 3ias s HIS 591 Cb -0.09 -2.58 0.82 0.00 -1.18 0.00 0.00 32.58 29.55 3ias s HIS 591 CO 0.27 0.47 2.00 -1.35 -0.65 0.00 0.00 174.74 175.48 3ias h PRO 592 N 3.99 0.62 0.00 2.88 0.11 -1.99 -0.19 132.00 137.42 3ias h PRO 592 Ca -0.48 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.59 3ias h PRO 592 Cb 1.20 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 32.17 3ias h PRO 592 CO 0.65 0.41 -0.02 -0.07 -0.21 0.00 0.00 178.00 178.76 3ias h LEU 593 N 0.64 0.00 0.00 2.35 -0.00 -1.98 -2.98 115.31 113.33 3ias h LEU 593 Ca 0.25 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 58.12 3ias h LEU 593 Cb 0.18 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 40.84 3ias h LEU 593 CO -0.07 0.02 -0.02 0.00 -0.00 0.00 0.00 178.44 178.37 3ias h ALA 594 N 1.98 0.00 0.00 1.53 0.00 -1.43 -3.03 119.26 118.31 3ias h ALA 594 Ca -0.00 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.66 3ias h ALA 594 Cb 0.11 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3ias h ALA 594 CO 0.00 0.01 0.00 -0.85 0.00 0.00 0.00 179.25 178.41 3ias n GLU 595 N -4.69 0.24 0.00 0.00 0.28 -1.11 0.03 120.64 115.38 3ias n GLU 595 Ca -0.05 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.95 3ias n GLU 595 Cb 0.24 -1.00 0.00 0.00 1.43 0.00 0.00 31.44 32.10 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 -0.48 2.43 0.00 3.44 1.74 -1.19 -4.84 116.66 117.76 3ias n ARG 596 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 3ias n ARG 596 Cb 0.00 -0.19 0.00 0.00 -1.02 0.00 0.00 32.46 31.25 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 -0.34 0.00 -3.59 -1.55 4.02 -0.59 -5.09 117.16 110.01 3ias n TYR 597 Ca 0.00 0.00 -0.35 0.00 -0.01 0.00 0.00 57.90 57.54 3ias n TYR 597 Cb 0.00 0.00 -0.05 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 -0.16 3.73 -0.25 -0.72 0.00 0.10 -4.81 121.76 119.66 3ias s ALA 598 Ca 0.00 -0.38 -0.08 0.00 0.00 0.00 0.00 51.96 51.50 3ias s ALA 598 Cb 0.00 -2.26 -0.16 0.00 0.00 0.00 0.00 23.12 20.70 3ias s ALA 598 CO 0.00 0.56 -0.19 0.72 0.00 0.00 0.00 175.76 176.85 3ias n HIS 599 N 1.02 0.21 -3.84 0.00 8.25 -0.82 -4.80 115.22 115.25 3ias n HIS 599 Ca -0.09 0.07 -0.28 0.00 -0.26 0.00 0.00 57.72 57.16 3ias n HIS 599 Cb 0.52 -1.02 -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 0.89 -0.21 1.59 1.01 -0.96 -2.48 120.40 117.74 3ias s VAL 600 Ca -0.35 -0.56 -0.06 0.00 0.00 0.00 0.00 61.98 61.00 3ias s VAL 600 Cb 0.11 -1.16 -0.03 0.00 0.00 0.00 0.00 36.38 35.30 3ias s VAL 600 CO 0.56 0.03 0.04 -0.69 0.00 0.00 0.00 175.10 175.05 3ias s VAL 601 N 1.72 4.30 0.05 2.92 1.01 -0.35 -1.25 120.40 128.80 3ias s VAL 601 Ca 0.00 -0.19 0.08 0.00 0.00 0.00 0.00 61.98 61.87 3ias s VAL 601 Cb -0.16 -2.96 -0.03 0.00 0.00 0.00 0.00 36.38 33.23 3ias s VAL 601 CO -0.07 0.40 -0.19 -0.76 0.00 0.00 0.00 175.10 174.48 3ias s LEU 602 N 1.04 2.56 0.08 3.92 1.02 -0.58 0.30 118.68 127.02 3ias s LEU 602 Ca 0.03 -0.46 -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 0.25 0.99 -2.16 0.02 0.00 0.00 176.35 175.48 3ias s PRO 603 N -1.48 4.63 0.14 1.29 0.04 -1.26 -3.07 135.00 135.28 3ias s PRO 603 Ca 0.15 1.48 0.09 0.00 0.04 0.00 0.00 61.00 62.76 3ias s PRO 603 Cb -0.10 -3.39 -0.04 0.00 0.04 0.00 0.00 34.50 31.00 3ias s PRO 603 CO 0.05 0.09 -0.20 0.00 0.04 0.00 0.00 177.00 176.99 3ias s ALA 604 N 0.35 1.97 0.56 8.56 0.00 0.40 -2.73 121.76 130.88 3ias s ALA 604 Ca 0.49 -1.41 -0.15 0.00 0.00 0.00 0.00 51.96 50.89 3ias s ALA 604 Cb -0.23 -0.22 -0.06 0.00 0.00 0.00 0.00 23.12 22.61 3ias s ALA 604 CO 0.30 0.29 1.01 -1.25 0.00 0.00 0.00 175.76 176.11 3ias s PRO 605 N -2.47 3.71 0.65 0.00 0.04 -1.26 -4.36 135.00 131.30 3ias s PRO 605 Ca 0.13 0.96 -0.10 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 -0.48 1.01 0.95 0.04 0.00 0.00 177.00 178.59 3ias s THR 606 N -2.72 3.83 0.57 1.26 -4.23 -1.26 -4.90 115.64 108.18 3ias s THR 606 Ca 0.59 0.40 0.27 0.00 -1.18 0.00 0.00 61.69 61.77 3ias s THR 606 Cb -0.11 -3.56 0.36 0.00 1.34 0.00 0.00 72.50 70.52 3ias s THR 606 CO 0.38 -0.69 2.07 2.19 -0.54 0.00 0.00 174.62 178.03 3ias h PHE 607 N -0.42 0.00 -0.80 3.99 -5.15 -1.98 -1.03 116.94 111.55 3ias h PHE 607 Ca -0.45 0.00 -0.00 0.00 -0.20 0.00 0.00 57.97 57.32 3ias h PHE 607 Cb 1.24 0.00 -0.04 0.00 0.22 0.00 0.00 35.95 37.37 3ias h PHE 607 CO 0.53 0.00 0.49 1.88 -2.00 0.00 0.00 178.31 179.21 3ias h TYR 608 N 0.00 1.06 -0.54 6.09 0.05 -1.91 -3.02 116.97 118.70 3ias h TYR 608 Ca 0.12 -0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.90 3ias h TYR 608 Cb 0.60 -0.35 0.00 0.00 1.01 0.00 0.00 36.73 37.99 3ias h TYR 608 CO 0.00 0.70 0.00 -0.85 -1.05 0.00 0.00 178.16 176.96 3ias n GLU 609 N -4.47 3.44 -0.14 4.88 0.28 -0.44 -2.04 120.64 122.15 3ias n GLU 609 Ca 0.08 -2.73 0.00 0.00 -0.16 0.00 0.00 57.16 54.35 3ias n GLU 609 Cb 0.05 -1.77 0.00 0.00 1.43 0.00 0.00 31.44 31.16 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 0.79 0.57 -3.69 3.44 5.02 -0.91 -4.56 118.16 118.81 3ias n LYS 610 Ca 0.23 0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 56.38 3ias n LYS 610 Cb 0.80 0.00 -0.09 0.00 -0.02 0.00 0.00 35.03 35.73 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 -1.77 0.67 0.00 1.97 3.52 -1.26 -2.08 118.95 120.01 3ias s ARG 611 Ca 0.00 0.40 0.00 0.00 -0.13 0.00 0.00 55.73 56.00 3ias s ARG 611 Cb 0.00 0.32 0.00 0.00 -1.56 0.00 0.00 34.95 33.71 3ias s ARG 611 CO 0.00 -0.14 0.00 0.41 -0.81 0.00 0.00 175.30 174.76 3ias n GLY 612 N 2.13 0.95 3.68 8.12 0.00 -0.97 -4.95 105.19 114.15 3ias n GLY 612 Ca -0.16 -2.00 -0.24 0.00 0.00 0.00 0.00 46.02 43.61 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 2.81 0.18 1.61 3.76 -1.26 0.89 115.29 122.03 3ias s HIS 613 Ca 0.00 -0.18 0.05 0.00 -0.15 0.00 0.00 55.06 54.78 3ias s HIS 613 Cb 0.00 -1.29 -0.05 0.00 1.11 0.00 0.00 32.58 32.35 3ias s HIS 613 CO 0.00 0.57 -0.08 -0.51 -0.85 0.00 0.00 174.74 173.87 3ias s LEU 614 N -3.45 2.43 -0.28 0.89 1.02 0.36 0.11 118.68 119.76 3ias s LEU 614 Ca 0.30 -1.08 -0.03 0.00 0.02 0.00 0.00 54.13 53.35 3ias s LEU 614 Cb -0.08 -0.38 0.03 0.00 0.02 0.00 0.00 46.19 45.79 3ias s LEU 614 CO 0.20 -0.36 -0.01 -0.69 0.02 0.00 0.00 176.35 175.51 3ias s VAL 615 N -3.30 3.11 1.03 -1.59 1.01 -1.26 -1.09 120.40 118.32 3ias s VAL 615 Ca 0.21 -1.13 -0.12 0.00 0.00 0.00 0.00 61.98 60.95 3ias s VAL 615 Cb 0.03 -2.68 0.20 0.00 0.00 0.00 0.00 36.38 33.93 3ias s VAL 615 CO 0.04 0.04 1.02 -3.20 0.00 0.00 0.00 175.10 173.00 3ias n ASN 616 N 4.68 -0.71 0.00 3.32 2.85 0.40 -3.95 115.26 121.86 3ias n ASN 616 Ca -0.15 0.17 0.07 0.00 -0.11 0.00 0.00 54.58 54.56 3ias n ASN 616 Cb 0.46 -1.36 0.33 0.00 1.24 0.00 0.00 39.78 40.45 3ias n ASN 616 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3ias n LEU 617 N -4.29 0.00 -1.13 1.20 -0.00 -0.90 -0.72 117.00 111.15 3ias n LEU 617 Ca 0.08 0.44 0.08 0.00 -0.00 0.00 0.00 56.01 56.61 3ias n LEU 617 Cb 0.53 -0.44 0.27 0.00 -0.00 0.00 0.00 43.42 43.79 3ias n LEU 617 CO 0.52 -0.22 0.73 -1.84 -0.00 0.00 0.00 177.39 176.59 3ias n GLU 618 N -1.44 3.24 -0.69 1.47 0.28 -1.26 -4.23 120.64 118.01 3ias n GLU 618 Ca 0.05 -2.61 0.00 0.00 -0.16 0.00 0.00 57.16 54.44 3ias n GLU 618 Cb 0.16 -1.67 0.00 0.00 1.43 0.00 0.00 31.44 31.36 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 0.63 1.51 3.77 -1.84 0.00 0.10 -4.52 105.19 104.84 3ias n GLY 619 Ca 0.20 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.03 4.42 -0.26 1.61 3.52 -1.26 -1.39 118.95 125.55 3ias s ARG 620 Ca 0.00 2.01 -0.09 0.00 -0.13 0.00 0.00 55.73 57.52 3ias s ARG 620 Cb 0.00 -3.06 -0.04 0.00 -1.56 0.00 0.00 34.95 30.29 3ias s ARG 620 CO 0.00 -0.06 0.14 0.14 -0.81 0.00 0.00 175.30 174.71 3ias s VAL 621 N -1.19 4.95 0.04 7.11 -7.23 -0.58 0.15 120.40 123.65 3ias s VAL 621 Ca 0.48 0.04 0.07 0.00 -1.81 0.00 0.00 61.98 60.77 3ias s VAL 621 Cb -0.36 -3.33 -0.03 0.00 0.56 0.00 0.00 36.38 33.22 3ias s VAL 621 CO 0.47 0.30 -0.18 -0.76 -0.31 0.00 0.00 175.10 174.62 3ias s LEU 622 N 1.55 2.59 0.74 1.32 1.43 -0.25 -0.74 118.68 125.32 3ias s LEU 622 Ca 0.07 -0.42 -0.11 0.00 -1.03 0.00 0.00 54.13 52.63 3ias s LEU 622 Cb -0.15 -1.51 0.03 0.00 0.03 0.00 0.00 46.19 44.59 3ias s LEU 622 CO 0.07 0.26 1.08 -2.16 0.23 0.00 0.00 176.35 175.83 3ias s PRO 623 N -1.40 2.61 -0.11 1.29 0.04 -1.26 -0.48 135.00 135.69 3ias s PRO 623 Ca 0.14 0.67 -0.01 0.00 0.04 0.00 0.00 61.00 61.84 3ias s PRO 623 Cb -0.10 -1.98 0.03 0.00 0.04 0.00 0.00 34.50 32.49 3ias s PRO 623 CO 0.05 -1.26 -0.01 -0.51 0.04 0.00 0.00 177.00 175.31 3ias s LEU 624 N -5.56 0.86 0.38 -3.56 1.43 0.26 -3.76 118.68 108.72 3ias s LEU 624 Ca 0.59 -0.30 0.01 0.00 -1.03 0.00 0.00 54.13 53.40 3ias s LEU 624 Cb -0.13 -0.57 -0.02 0.00 0.03 0.00 0.00 46.19 45.51 3ias s LEU 624 CO 0.54 -0.20 0.58 -0.44 0.23 0.00 0.00 176.35 177.06 3ias s SER 625 N 1.89 6.07 -0.26 2.29 0.01 -1.26 -2.28 113.70 120.17 3ias s SER 625 Ca 0.04 0.30 -0.10 0.00 1.31 0.00 0.00 55.95 57.49 3ias s SER 625 Cb -0.13 -1.74 -0.05 0.00 0.21 0.00 0.00 66.02 64.31 3ias s SER 625 CO -0.06 -0.46 0.16 -2.16 0.41 0.00 0.00 173.24 171.12 3ias s PRO 626 N -4.39 3.98 0.31 12.44 0.04 -0.88 -4.27 135.00 142.23 3ias s PRO 626 Ca 0.44 -0.31 -0.24 0.00 0.04 0.00 0.00 61.00 60.92 3ias s PRO 626 Cb -0.10 -3.56 -0.10 0.00 0.04 0.00 0.00 34.50 30.79 3ias s PRO 626 CO 0.36 -0.06 0.90 0.00 0.04 0.00 0.00 177.00 178.24 3ias s ALA 627 N 1.39 3.24 -0.31 8.56 0.00 -0.86 -4.93 121.76 128.84 3ias s ALA 627 Ca 0.07 0.44 -0.06 0.00 0.00 0.00 0.00 51.96 52.41 3ias s ALA 627 Cb -0.15 -3.11 -0.19 0.00 0.00 0.00 0.00 23.12 19.67 3ias s ALA 627 CO 0.07 0.20 3.01 -2.30 0.00 0.00 0.00 175.76 176.75 3ias n PRO 628 N 0.49 2.00 -2.13 0.00 -0.02 -1.26 -4.67 135.00 129.40 3ias n PRO 628 Ca 0.02 -1.09 -0.27 0.00 -2.02 0.00 0.00 63.50 60.14 3ias n PRO 628 Cb 0.51 -2.09 0.13 0.00 -0.02 0.00 0.00 33.50 32.02 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 1.62 2.10 -1.04 4.25 1.01 -1.26 -3.64 121.20 124.24 3ias s ILE 629 Ca 0.57 -0.19 -0.22 0.00 0.00 0.00 0.00 60.65 60.80 3ias s ILE 629 Cb 0.24 -2.91 0.06 0.00 0.01 0.00 0.00 42.46 39.86 3ias s ILE 629 CO -0.01 0.00 1.46 -0.70 0.00 0.00 0.00 174.94 175.69 3ias s GLU 630 N -5.53 3.63 0.22 2.79 2.56 -0.24 -4.81 118.70 117.31 3ias s GLU 630 Ca 0.67 -1.23 -0.08 0.00 0.00 0.00 0.00 54.97 54.33 3ias s GLU 630 Cb -0.07 -5.35 0.19 0.00 2.00 0.00 0.00 34.13 30.89 3ias s GLU 630 CO 0.49 -2.19 1.86 -2.95 -0.56 0.00 0.00 175.26 171.90 3ias h ASN 631 N 9.56 1.03 0.00 -1.70 -1.07 -1.93 -3.49 115.58 117.98 3ias h ASN 631 Ca 0.22 -0.08 0.00 0.00 0.07 0.00 0.00 56.30 56.51 3ias h ASN 631 Cb 1.00 -0.26 0.00 0.00 -2.07 0.00 0.00 38.32 36.99 3ias h ASN 631 CO 1.42 0.81 0.00 0.61 0.07 0.00 0.00 177.43 180.34 3ias n GLY 632 N -1.17 0.20 2.87 9.14 0.00 -1.26 -3.87 105.19 111.11 3ias n GLY 632 Ca 0.09 -1.08 -0.40 0.00 0.00 0.00 0.00 46.02 44.63 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 7.45 3.13 -4.22 1.61 1.02 -0.45 -5.00 120.64 124.18 3ias n GLU 633 Ca 0.00 -3.70 -0.24 0.00 -0.02 0.00 0.00 57.16 53.20 3ias n GLU 633 Cb 0.00 -2.30 -0.07 0.00 -0.02 0.00 0.00 31.44 29.06 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 -4.10 3.27 0.03 0.62 0.00 -1.25 -4.64 121.76 115.69 3ias s ALA 634 Ca 0.50 -1.50 -0.00 0.00 0.00 0.00 0.00 51.96 50.96 3ias s ALA 634 Cb 0.41 -0.97 -0.03 0.00 0.00 0.00 0.00 23.12 22.52 3ias s ALA 634 CO -0.38 0.34 -0.03 -1.21 0.00 0.00 0.00 175.76 174.48 3ias s GLU 635 N -3.44 0.45 0.67 0.00 2.02 -1.10 -4.93 118.70 112.37 3ias s GLU 635 Ca 0.30 -0.88 -0.15 0.00 0.02 0.00 0.00 54.97 54.26 3ias s GLU 635 Cb -0.08 0.13 0.01 0.00 0.10 0.00 0.00 34.13 34.29 3ias s GLU 635 CO 0.21 -0.07 1.15 0.20 0.02 0.00 0.00 175.26 176.76 3ias s GLY 636 N -2.09 2.28 0.36 -1.39 0.00 -1.26 -4.46 107.32 100.76 3ias s GLY 636 Ca -0.06 0.69 0.19 0.00 0.00 0.00 0.00 44.72 45.54 3ias s GLY 636 CO -0.05 1.06 1.52 0.00 0.00 0.00 0.00 173.10 175.64 3ias h ALA 637 N 0.05 1.13 -0.43 3.20 0.00 -1.96 0.35 119.26 121.60 3ias h ALA 637 Ca -0.47 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.40 3ias h ALA 637 Cb 1.27 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.03 3ias h ALA 637 CO 0.53 -0.13 0.11 1.25 0.00 0.00 0.00 179.25 181.01 3ias h LEU 638 N 0.00 0.59 0.00 0.00 5.85 -1.93 0.13 115.31 119.95 3ias h LEU 638 Ca 0.00 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.63 3ias h LEU 638 Cb 0.37 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.24 3ias h LEU 638 CO 0.00 0.58 -0.20 -0.61 -0.34 0.00 0.00 178.44 177.87 3ias h GLN 639 N 0.62 0.00 -1.01 1.25 5.75 -1.17 -3.25 115.11 117.30 3ias h GLN 639 Ca 0.14 0.00 0.31 0.00 -0.15 0.00 0.00 58.65 58.96 3ias h GLN 639 Cb 0.23 0.00 -0.14 0.00 1.07 0.00 0.00 27.48 28.63 3ias h GLN 639 CO -0.00 0.00 0.58 0.28 -2.65 0.00 0.00 178.83 177.04 3ias h VAL 640 N -0.95 0.33 0.34 2.39 2.07 -1.54 0.33 116.25 119.22 3ias h VAL 640 Ca 0.00 -0.12 -0.02 0.00 0.82 0.00 0.00 66.70 67.38 3ias h VAL 640 Cb 0.20 -0.06 0.00 0.00 -1.52 0.00 0.00 31.29 29.92 3ias h VAL 640 CO 0.00 0.07 -0.16 -0.07 0.02 0.00 0.00 177.57 177.42 3ias h LEU 641 N 0.36 -0.38 -1.24 2.57 3.38 -0.89 -0.35 115.31 118.75 3ias h LEU 641 Ca 0.72 -0.10 0.13 0.00 0.09 0.00 0.00 57.88 58.73 3ias h LEU 641 Cb 1.63 0.10 -0.07 0.00 0.09 0.00 0.00 40.66 42.41 3ias h LEU 641 CO -0.58 -0.12 0.58 0.00 0.09 0.00 0.00 178.44 178.41 3ias h ALA 642 N -0.05 1.77 -0.31 1.53 0.00 -0.77 0.99 119.26 122.42 3ias h ALA 642 Ca -0.05 0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.77 3ias h ALA 642 Cb 0.46 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 3ias h ALA 642 CO 0.08 0.00 -0.25 1.25 0.00 0.00 0.00 179.25 180.33 3ias h LEU 643 N 0.75 0.76 0.00 0.00 5.85 -0.28 -2.55 115.31 119.84 3ias h LEU 643 Ca 0.45 -0.45 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3ias h LEU 643 Cb 0.65 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.46 3ias h LEU 643 CO -0.21 1.05 0.00 -0.11 -0.34 0.00 0.00 178.44 178.83 3ias n LEU 644 N -4.28 0.00 0.06 2.25 0.00 -0.16 -2.69 117.00 112.18 3ias n LEU 644 Ca -0.03 0.30 -0.14 0.00 0.00 0.00 0.00 56.01 56.13 3ias n LEU 644 Cb 0.45 -0.30 -0.14 0.00 0.00 0.00 0.00 43.42 43.44 3ias n LEU 644 CO 0.44 -0.02 -0.25 0.00 0.00 0.00 0.00 177.39 177.56 3ias h ALA 645 N 3.29 0.33 0.21 1.96 0.00 -0.43 -3.35 119.26 121.29 3ias h ALA 645 Ca 0.00 -1.10 -0.01 0.00 0.00 0.00 0.00 54.91 53.80 3ias h ALA 645 Cb 0.27 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.27 3ias h ALA 645 CO 0.00 1.20 -0.10 0.93 0.00 0.00 0.00 179.25 181.28 3ias h GLU 646 N 0.05 -0.28 0.00 0.00 5.08 -1.28 -2.50 114.58 115.65 3ias h GLU 646 Ca -0.20 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.18 3ias h GLU 646 Cb 1.97 0.06 0.00 0.00 0.50 0.00 0.00 28.75 31.28 3ias h GLU 646 CO 0.15 0.02 0.00 0.00 -1.00 0.00 0.00 179.01 178.18 3ias n ALA 647 N -2.38 1.62 -0.01 3.43 0.00 -1.21 -1.62 120.51 120.35 3ias n ALA 647 Ca -0.09 -0.01 -0.01 0.00 0.00 0.00 0.00 53.44 53.33 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 -0.64 0.85 0.00 0.00 4.77 -1.11 -4.53 117.00 116.34 3ias n LEU 648 Ca 0.01 -0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 3ias n LEU 648 Cb 0.00 0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 3ias n LEU 648 CO 0.01 0.18 0.00 0.61 -1.33 0.00 0.00 177.39 176.86 3ias n GLY 649 N 3.05 -0.82 3.73 -0.72 0.00 -0.64 -4.98 105.19 104.81 3ias n GLY 649 Ca -0.03 0.30 -0.42 0.00 0.00 0.00 0.00 46.02 45.87 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 1.11 -2.24 1.61 0.31 -1.25 -4.68 118.33 113.19 3ias n VAL 650 Ca 0.00 -0.28 -0.42 0.00 -0.01 0.00 0.00 64.34 63.63 3ias n VAL 650 Cb 0.00 -1.87 -0.03 0.00 -0.91 0.00 0.00 33.84 31.03 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 -0.64 4.35 0.84 5.55 1.04 -1.26 -4.09 118.95 124.74 3ias s ARG 651 Ca 0.64 1.99 -0.11 0.00 -1.04 0.00 0.00 55.73 57.21 3ias s ARG 651 Cb -0.52 -3.27 0.10 0.00 -2.04 0.00 0.00 34.95 29.22 3ias s ARG 651 CO 0.50 -0.38 1.14 -1.25 -0.04 0.00 0.00 175.30 175.27 3ias s PRO 652 N 1.04 1.57 0.21 3.89 0.04 -1.26 -4.97 135.00 135.52 3ias s PRO 652 Ca 0.63 1.49 0.25 0.00 0.04 0.00 0.00 61.00 63.40 3ias s PRO 652 Cb -0.35 -1.79 0.49 0.00 0.04 0.00 0.00 34.50 32.89 3ias s PRO 652 CO 0.30 -2.21 1.51 -1.35 0.04 0.00 0.00 177.00 175.29 3ias h PRO 653 N -1.37 0.00 -5.18 0.56 0.11 -1.95 -3.46 132.00 120.72 3ias h PRO 653 Ca -0.44 0.00 -0.66 0.00 0.11 0.00 0.00 66.00 65.01 3ias h PRO 653 Cb 1.26 0.00 -0.30 0.00 0.11 0.00 0.00 31.00 32.07 3ias h PRO 653 CO 0.46 0.00 -0.79 -0.06 -0.21 0.00 0.00 178.00 177.39 3ias s PHE 654 N -3.17 2.80 0.00 0.65 0.40 -1.26 -4.94 117.98 112.46 3ias s PHE 654 Ca 0.07 -1.01 0.00 0.00 -0.60 0.00 0.00 56.93 55.39 3ias s PHE 654 Cb 0.11 -1.91 0.00 0.00 0.51 0.00 0.00 43.02 41.74 3ias s PHE 654 CO 0.67 -0.47 0.00 0.54 0.70 0.00 0.00 175.22 176.66 3ias n ARG 655 N 4.11 0.00 -2.37 0.44 1.74 -1.26 -4.75 116.66 114.57 3ias n ARG 655 Ca -0.19 0.00 -0.07 0.00 -0.77 0.00 0.00 57.85 56.82 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 -4.58 117.00 109.80 3ias n LEU 656 Ca 0.00 -0.73 -0.13 0.00 -0.00 0.00 0.00 56.01 55.15 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 -0.22 0.54 -0.74 -0.00 0.00 0.00 177.39 176.97 3ias h HIS 657 N 0.81 -0.03 -1.01 1.47 -0.00 -1.99 -1.61 115.15 112.79 3ias h HIS 657 Ca -0.09 -0.00 0.26 0.00 -0.00 0.00 0.00 60.37 60.53 3ias h HIS 657 Cb 0.31 0.01 -0.08 0.00 -0.00 0.00 0.00 27.41 27.65 3ias h HIS 657 CO 0.00 0.57 0.67 1.25 -0.00 0.00 0.00 177.93 180.42 3ias h LEU 658 N -0.67 0.38 0.01 0.26 6.46 -2.01 0.29 115.31 120.04 3ias h LEU 658 Ca -0.00 0.06 -0.31 0.00 -0.12 0.00 0.00 57.88 57.51 3ias h LEU 658 Cb 0.62 -0.00 -0.05 0.00 -0.73 0.00 0.00 40.66 40.50 3ias h LEU 658 CO 0.01 0.10 -1.81 -0.62 -0.62 0.00 0.00 178.44 175.49 3ias n GLU 659 N -4.54 0.64 0.17 1.25 -0.58 -1.23 -3.89 120.64 112.46 3ias n GLU 659 Ca 0.23 0.26 0.02 0.00 -0.42 0.00 0.00 57.16 57.25 3ias n GLU 659 Cb 0.86 -1.75 0.33 0.00 -0.57 0.00 0.00 31.44 30.31 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 0.96 1.33 -0.80 0.62 0.00 -0.18 -2.93 119.26 118.26 3ias h ALA 660 Ca -0.33 -0.36 0.13 0.00 0.00 0.00 0.00 54.91 54.35 3ias h ALA 660 Cb 2.05 -0.07 -0.09 0.00 0.00 0.00 0.00 17.79 19.68 3ias h ALA 660 CO 0.07 0.50 0.41 1.96 0.00 0.00 0.00 179.25 182.18 3ias h GLN 661 N 0.03 0.60 -0.78 0.00 1.08 -1.11 -1.36 115.11 113.58 3ias h GLN 661 Ca -0.00 -0.04 0.12 0.00 -1.45 0.00 0.00 58.65 57.28 3ias h GLN 661 Cb 0.70 -0.14 -0.05 0.00 -0.05 0.00 0.00 27.48 27.94 3ias h GLN 661 CO 0.05 0.40 0.51 0.87 -0.95 0.00 0.00 178.83 179.71 3ias h LYS 662 N 0.62 0.59 0.00 1.46 1.57 -1.68 -1.26 116.57 117.86 3ias h LYS 662 Ca 0.42 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 59.14 3ias h LYS 662 Cb 0.55 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.72 3ias h LYS 662 CO -0.33 0.39 -0.12 0.00 -0.57 0.00 0.00 179.45 178.82 3ias h ALA 663 N 1.62 0.93 0.06 3.86 0.00 -1.37 -1.59 119.26 122.76 3ias h ALA 663 Ca 0.37 -0.10 -0.17 0.00 0.00 0.00 0.00 54.91 55.00 3ias h ALA 663 Cb 0.61 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 3ias h ALA 663 CO -0.14 0.14 -0.87 -0.07 0.00 0.00 0.00 179.25 178.32 3ias h LEU 664 N 0.00 0.20 -1.17 0.00 3.38 -1.32 -3.00 115.31 113.40 3ias h LEU 664 Ca -0.00 -0.84 0.00 0.00 0.09 0.00 0.00 57.88 57.13 3ias h LEU 664 Cb 1.09 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.77 3ias h LEU 664 CO 0.01 1.37 0.00 1.17 0.09 0.00 0.00 178.44 181.09 3ias n LYS 665 N -4.27 0.14 0.09 1.13 4.81 -0.52 -1.97 118.16 117.57 3ias n LYS 665 Ca -0.20 0.58 -0.05 0.00 -0.87 0.00 0.00 58.31 57.77 3ias n LYS 665 Cb 0.72 -1.90 -0.02 0.00 0.02 0.00 0.00 35.03 33.84 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 2.06 -0.33 0.00 3.14 0.00 -1.33 -3.24 119.26 119.56 3ias h ALA 666 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3ias h ALA 666 Cb 0.07 0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3ias h ALA 666 CO 0.00 -0.31 0.04 0.54 0.00 0.00 0.00 179.25 179.53 3ias n ARG 667 N -4.81 0.00 -2.96 0.00 1.74 -0.83 -4.82 116.66 104.97 3ias n ARG 667 Ca -0.04 0.23 -0.12 0.00 -0.77 0.00 0.00 57.85 57.15 3ias n ARG 667 Cb 0.12 -1.54 0.06 0.00 -1.02 0.00 0.00 32.46 30.08 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 -1.19 -4.36 -3.35 5.56 5.02 -0.89 -5.02 118.16 113.92 3ias n LYS 668 Ca 0.00 0.58 -0.39 0.00 -2.02 0.00 0.00 58.31 56.49 3ias n LYS 668 Cb 0.04 -4.79 -0.08 0.00 -0.02 0.00 0.00 35.03 30.18 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 -3.25 5.16 0.98 -0.18 0.11 -1.07 -5.04 120.40 117.10 3ias s VAL 669 Ca 0.02 0.70 -0.15 0.00 -2.93 0.00 0.00 61.98 59.62 3ias s VAL 669 Cb -0.00 -3.74 -0.02 0.00 -1.53 0.00 0.00 36.38 31.08 3ias s VAL 669 CO 0.50 0.18 -0.05 -0.81 -3.33 0.00 0.00 175.10 171.59 3ias n PRO 670 N 5.05 -0.27 0.00 1.54 -0.04 -1.26 -4.62 135.00 135.39 3ias n PRO 670 Ca -0.07 -0.05 0.00 0.00 -0.04 0.00 0.00 63.50 63.33 3ias n PRO 670 Cb 0.51 -1.56 0.00 0.00 -0.04 0.00 0.00 33.50 32.41 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 -0.30 -0.43 -1.63 0.54 4.07 -1.26 -4.84 120.64 116.79 3ias n GLU 671 Ca 0.03 0.00 -0.41 0.00 -0.06 0.00 0.00 57.16 56.73 3ias n GLU 671 Cb 0.55 0.00 0.02 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 0.39 0.00 4.31 0.00 -1.26 -2.45 120.51 118.50 3ias n ALA 672 Ca 0.00 0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.64 3ias n ALA 672 Cb 0.00 -2.12 0.00 0.00 0.00 0.00 0.00 19.45 17.33 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 -0.04 0.00 -0.90 0.00 2.81 0.08 -4.97 117.12 114.10 3ias n MET 673 Ca 0.09 0.00 -0.31 0.00 -1.81 0.00 0.00 57.70 55.67 3ias n MET 673 Cb 0.40 -0.99 0.14 0.00 -0.71 0.00 0.00 33.22 32.07 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 -0.44 1.68 -0.15 3.03 0.00 -1.03 -4.52 107.32 105.90 3ias s GLY 674 Ca 0.00 0.46 -0.04 0.00 0.00 0.00 0.00 44.72 45.14 3ias s GLY 674 CO 0.00 0.86 -0.01 0.50 0.00 0.00 0.00 173.10 174.45 3ias s ARG 675 N -4.75 3.59 -0.38 2.90 0.52 -1.26 -1.52 118.95 118.05 3ias s ARG 675 Ca 0.65 -0.46 -0.15 0.00 -0.52 0.00 0.00 55.73 55.25 3ias s ARG 675 Cb -0.21 -2.95 0.00 0.00 0.52 0.00 0.00 34.95 32.32 3ias s ARG 675 CO 0.57 0.35 0.34 -1.17 0.02 0.00 0.00 175.30 175.42 3ias s LEU 676 N 0.08 4.71 -0.05 2.53 1.98 -0.49 -4.87 118.68 122.57 3ias s LEU 676 Ca 0.01 -0.53 -0.25 0.00 -2.89 0.00 0.00 54.13 50.47 3ias s LEU 676 Cb -0.13 -2.27 -0.03 0.00 0.66 0.00 0.00 46.19 44.42 3ias s LEU 676 CO 0.02 -0.40 0.79 -0.94 -1.89 0.00 0.00 176.35 173.93 3ias s SER 677 N 1.74 7.10 -0.30 3.68 1.04 -1.26 -4.84 113.70 120.86 3ias s SER 677 Ca 0.09 1.33 -0.10 0.00 0.48 0.00 0.00 55.95 57.75 3ias s SER 677 Cb -0.17 -2.46 0.18 0.00 0.10 0.00 0.00 66.02 63.66 3ias s SER 677 CO 0.12 -0.17 0.93 0.12 0.98 0.00 0.00 173.24 175.22 3ias s PHE 678 N 0.92 -0.81 0.50 5.02 5.36 -1.26 -5.17 117.98 122.54 3ias s PHE 678 Ca 0.42 0.86 0.08 0.00 -0.96 0.00 0.00 56.93 57.32 3ias s PHE 678 Cb -0.19 0.28 0.05 0.00 -0.34 0.00 0.00 43.02 42.82 3ias s PHE 678 CO 0.21 -0.44 0.69 1.03 -1.46 0.00 0.00 175.22 175.25 3ias s ARG 679 N 2.93 2.55 -0.30 10.12 0.52 -1.26 -4.76 118.95 128.76 3ias s ARG 679 Ca 0.05 -1.34 -0.13 0.00 -0.52 0.00 0.00 55.73 53.79 3ias s ARG 679 Cb -0.11 -2.67 0.17 0.00 0.52 0.00 0.00 34.95 32.85 3ias s ARG 679 CO -0.14 -0.58 0.98 -1.17 0.02 0.00 0.00 175.30 174.41 3ias s LEU 680 N -4.54 -0.61 -0.63 2.53 0.20 -1.21 -4.95 118.68 109.47 3ias s LEU 680 Ca 0.58 0.64 -0.06 0.00 0.69 0.00 0.00 54.13 55.98 3ias s LEU 680 Cb -0.08 1.61 0.16 0.00 -0.43 0.00 0.00 46.19 47.45 3ias s LEU 680 CO 0.36 -0.12 0.47 -0.54 -0.29 0.00 0.00 176.35 176.24 3ias s LYS 681 N 2.64 2.70 -0.29 1.98 1.02 -1.26 -3.94 119.74 122.59 3ias s LYS 681 Ca 0.00 -2.38 -0.19 0.00 0.02 0.00 0.00 55.97 53.42 3ias s LYS 681 Cb -0.08 -3.87 0.16 0.00 -0.52 0.00 0.00 37.83 33.52 3ias s LYS 681 CO -0.16 -1.19 1.11 -1.83 -0.92 0.00 0.00 175.35 172.36 3ias s GLU 682 N 0.22 0.29 -0.08 1.68 -1.05 -1.26 -5.18 118.70 113.33 3ias s GLU 682 Ca 0.15 0.45 -0.04 0.00 -0.15 0.00 0.00 54.97 55.38 3ias s GLU 682 Cb -0.19 0.09 0.04 0.00 -0.44 0.00 0.00 34.13 33.63 3ias s GLU 682 CO -0.04 -0.05 0.18 -0.48 0.95 0.00 0.00 175.26 175.81 3ias s LEU 683 N 0.86 0.55 -0.63 1.83 2.34 -1.26 -4.52 118.68 117.86 3ias s LEU 683 Ca -0.04 0.37 -0.07 0.00 0.06 0.00 0.00 54.13 54.44 3ias s LEU 683 Cb -0.04 0.46 0.16 0.00 -0.56 0.00 0.00 46.19 46.21 3ias s LEU 683 CO -0.12 -0.16 0.49 0.00 -1.06 0.00 0.00 176.35 175.49 3ias s ARG 684 N 1.32 2.78 1.13 1.48 1.70 -1.20 -5.07 118.95 121.10 3ias s ARG 684 Ca -0.08 -2.28 -0.15 0.00 -0.47 0.00 0.00 55.73 52.75 3ias s ARG 684 Cb -0.11 -3.96 0.26 0.00 -0.57 0.00 0.00 34.95 30.57 3ias s ARG 684 CO -0.07 -1.21 1.06 -1.25 -1.08 0.00 0.00 175.30 172.76 3ias s PRO 685 N 0.42 -0.65 -0.09 3.89 0.04 -1.26 -4.78 135.00 132.57 3ias s PRO 685 Ca 0.14 0.41 -0.30 0.00 0.04 0.00 0.00 61.00 61.29 3ias s PRO 685 Cb -0.19 -1.62 0.10 0.00 0.04 0.00 0.00 34.50 32.83 3ias s PRO 685 CO -0.04 -3.44 0.85 0.21 0.04 0.00 0.00 177.00 174.63 3ias s LYS 686 N -4.94 0.81 0.66 4.56 2.20 -1.26 -5.08 119.74 116.69 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 -0.18 0.38 -0.02 0.00 -1.51 0.00 0.00 37.83 36.51 3ias s LYS 686 CO 0.59 -0.27 1.05 -1.83 -0.36 0.00 0.00 175.35 174.53 3ias s GLU 687 N -1.42 3.25 -0.27 4.03 -1.05 -1.26 -4.90 118.70 117.08 3ias s GLU 687 Ca -0.04 0.85 0.01 0.00 -0.15 0.00 0.00 54.97 55.63 3ias s GLU 687 Cb -0.00 -2.03 0.05 0.00 -0.44 0.00 0.00 34.13 31.70 3ias s GLU 687 CO 0.03 -0.84 -0.07 1.03 0.95 0.00 0.00 175.26 176.36 3ias s ARG 688 N -5.12 2.42 -1.51 -4.83 1.81 -1.26 -5.02 118.95 105.44 3ias s ARG 688 Ca 0.57 -1.25 -0.11 0.00 -1.72 0.00 0.00 55.73 53.21 3ias s ARG 688 Cb -0.13 -3.00 -0.05 0.00 -0.45 0.00 0.00 34.95 31.33 3ias s ARG 688 CO 0.54 -0.55 2.66 0.36 -0.68 0.00 0.00 175.30 177.63 3ias n LYS 689 N 4.54 3.28 -1.53 3.54 2.85 -1.26 -4.92 118.16 124.67 3ias n LYS 689 Ca -0.14 -2.26 -0.13 0.00 -1.05 0.00 0.00 58.31 54.73 3ias n LYS 689 Cb 0.43 -2.93 -0.10 0.00 -0.65 0.00 0.00 35.03 31.78 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 -0.40 0.78 2.58 0.00 -1.26 -3.46 105.19 107.21 3ias n GLY 690 Ca 0.68 0.10 -0.03 0.00 0.00 0.00 0.00 46.02 46.77 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 18.39 2.43 -2.66 4.61 0.00 -1.21 -5.01 120.51 137.05 3ias n ALA 691 Ca 0.39 -0.24 -0.30 0.00 0.00 0.00 0.00 53.44 53.29 3ias n ALA 691 Cb 0.46 0.22 -0.08 0.00 0.00 0.00 0.00 19.45 20.05 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 -2.24 2.93 -0.21 0.00 0.40 0.12 -3.49 117.98 115.49 3ias s PHE 692 Ca -0.08 -0.06 0.02 0.00 -0.60 0.00 0.00 56.93 56.20 3ias s PHE 692 Cb 0.02 -1.50 0.04 0.00 0.51 0.00 0.00 43.02 42.08 3ias s PHE 692 CO 0.12 0.47 -0.16 -0.47 0.70 0.00 0.00 175.22 175.88 3ias s TYR 693 N -1.32 2.95 -0.72 0.36 5.04 -0.53 -0.34 117.35 122.78 3ias s TYR 693 Ca 0.25 -1.91 -0.26 0.00 -2.44 0.00 0.00 57.07 52.71 3ias s TYR 693 Cb -0.11 -1.91 -0.02 0.00 0.35 0.00 0.00 41.96 40.27 3ias s TYR 693 CO 0.17 -0.83 1.81 -0.51 -1.34 0.00 0.00 175.55 174.85 3ias s LEU 694 N 1.22 3.25 -0.16 6.97 1.43 0.49 -1.09 118.68 130.80 3ias s LEU 694 Ca -0.01 -0.10 -0.29 0.00 -1.03 0.00 0.00 54.13 52.70 3ias s LEU 694 Cb -0.16 -2.54 -0.03 0.00 0.03 0.00 0.00 46.19 43.49 3ias s LEU 694 CO -0.10 -2.39 1.52 -0.60 0.23 0.00 0.00 176.35 175.01 3ias s ARG 695 N 6.82 4.04 0.14 1.70 3.52 0.18 -1.75 118.95 133.61 3ias s ARG 695 Ca 0.64 1.81 -0.35 0.00 -0.13 0.00 0.00 55.73 57.70 3ias s ARG 695 Cb -0.10 -3.94 -0.15 0.00 -1.56 0.00 0.00 34.95 29.21 3ias s ARG 695 CO 0.13 -0.98 1.51 -0.35 -0.81 0.00 0.00 175.30 174.79 3ias n PRO 696 N 7.19 1.87 -4.33 5.12 -0.04 -1.26 -1.29 135.00 142.26 3ias n PRO 696 Ca 0.17 0.67 -0.22 0.00 -0.04 0.00 0.00 63.50 64.08 3ias n PRO 696 Cb 0.44 -2.41 -0.11 0.00 -0.04 0.00 0.00 33.50 31.38 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 0.78 1.82 0.01 0.52 -4.23 -1.26 -4.73 115.64 108.55 3ias s THR 697 Ca 0.80 -1.91 -0.25 0.00 -1.18 0.00 0.00 61.69 59.15 3ias s THR 697 Cb -0.76 -1.84 -0.14 0.00 1.34 0.00 0.00 72.50 71.10 3ias s THR 697 CO 0.40 -0.31 1.07 -0.03 -0.54 0.00 0.00 174.62 175.21 3ias h MET 698 N 3.26 -0.84 -7.04 3.99 4.05 -1.83 -3.44 114.93 113.07 3ias h MET 698 Ca -0.42 0.06 -0.55 0.00 -0.28 0.00 0.00 59.70 58.51 3ias h MET 698 Cb 1.21 0.19 0.13 0.00 -0.80 0.00 0.00 31.60 32.33 3ias h MET 698 CO 0.51 -0.54 0.60 -1.58 0.23 0.00 0.00 176.91 176.13 3ias s TRP 699 N -4.55 2.33 0.24 1.39 0.52 -1.26 -4.96 118.94 112.65 3ias s TRP 699 Ca -0.13 1.38 0.02 0.00 0.02 0.00 0.00 56.10 57.39 3ias s TRP 699 Cb 0.01 -3.77 -0.03 0.00 -1.15 0.00 0.00 33.47 28.53 3ias s TRP 699 CO 0.42 -2.79 0.39 0.15 0.02 0.00 0.00 176.95 175.13 3ias s LYS 700 N -2.88 3.47 0.19 4.98 3.01 -1.26 -4.66 119.74 122.59 3ias s LYS 700 Ca 0.71 -0.56 -0.09 0.00 -1.01 0.00 0.00 55.97 55.01 3ias s LYS 700 Cb -0.39 -2.85 0.11 0.00 -1.01 0.00 0.00 37.83 33.69 3ias s LYS 700 CO 0.47 0.39 1.72 0.00 0.51 0.00 0.00 175.35 178.44 3ias h ALA 701 N 1.44 0.92 0.00 5.17 0.00 -1.56 -3.01 119.26 122.22 3ias h ALA 701 Ca -0.50 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.18 3ias h ALA 701 Cb 1.21 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.73 3ias h ALA 701 CO 0.64 0.62 0.00 -2.39 0.00 0.00 0.00 179.25 178.12 3ias n HIS 702 N -4.28 0.00 0.60 0.00 1.44 -1.26 -3.35 115.22 108.38 3ias n HIS 702 Ca 0.05 0.00 0.06 0.00 -2.01 0.00 0.00 57.72 55.82 3ias n HIS 702 Cb 0.24 -0.08 -0.05 0.00 0.12 0.00 0.00 29.99 30.23 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 -0.05 2.41 -0.70 -1.40 6.02 -1.14 -4.81 117.38 117.71 3ias n GLN 703 Ca 0.00 -0.28 -0.37 0.00 -0.01 0.00 0.00 57.00 56.34 3ias n GLN 703 Cb 0.19 -1.14 -0.07 0.00 1.02 0.00 0.00 30.24 30.24 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 -0.87 2.11 -2.87 -1.58 0.00 -1.21 -4.53 120.51 111.57 3ias n ALA 704 Ca 0.04 -2.54 -0.12 0.00 0.00 0.00 0.00 53.44 50.81 3ias n ALA 704 Cb 0.23 -3.49 -0.11 0.00 0.00 0.00 0.00 19.45 16.08 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 5.71 0.48 0.00 0.00 1.01 -1.26 -4.59 120.40 121.74 3ias s VAL 705 Ca 0.54 -1.07 0.00 0.00 0.00 0.00 0.00 61.98 61.45 3ias s VAL 705 Cb 0.13 -0.58 0.00 0.00 0.00 0.00 0.00 36.38 35.93 3ias s VAL 705 CO 0.19 -0.41 0.00 0.61 0.00 0.00 0.00 175.10 175.49 3ias n GLY 706 N 1.45 2.60 0.10 4.51 0.00 -1.26 -1.53 105.19 111.06 3ias n GLY 706 Ca -0.23 0.29 -0.02 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 -3.18 116.57 114.86 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 0.49 0.00 0.00 -1.08 0.00 0.00 179.45 178.86 3ias n ALA 708 N -2.36 2.25 -0.33 3.86 0.00 -0.58 -4.15 120.51 119.20 3ias n ALA 708 Ca -0.06 -0.10 0.23 0.00 0.00 0.00 0.00 53.44 53.51 3ias n ALA 708 Cb 0.85 -1.43 0.45 0.00 0.00 0.00 0.00 19.45 19.33 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 0.27 0.08 0.00 4.15 -1.47 -1.92 115.11 116.22 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 0.37 -0.06 -0.03 0.00 0.21 0.00 0.00 27.48 27.98 3ias h GLN 709 CO 0.00 0.18 -1.82 0.39 -1.93 0.00 0.00 178.83 175.65 3ias n GLU 710 N -5.10 0.70 0.00 1.69 -0.58 -1.26 -4.08 120.64 112.01 3ias n GLU 710 Ca 0.30 0.35 0.04 0.00 -0.42 0.00 0.00 57.16 57.44 3ias n GLU 710 Cb 0.95 -1.71 0.23 0.00 -0.57 0.00 0.00 31.44 30.35 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 -3.16 1.64 -0.10 0.62 0.00 -0.82 -1.71 120.51 116.98 3ias n ALA 711 Ca -0.33 -0.05 0.02 0.00 0.00 0.00 0.00 53.44 53.08 3ias n ALA 711 Cb 0.94 -1.15 0.05 0.00 0.00 0.00 0.00 19.45 19.29 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 -1.23 2.07 -1.93 0.00 0.00 -0.79 -4.89 120.51 113.75 3ias n ALA 712 Ca 0.05 -1.11 -0.40 0.00 0.00 0.00 0.00 53.44 51.98 3ias n ALA 712 Cb 0.06 -0.15 -0.05 0.00 0.00 0.00 0.00 19.45 19.31 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 -1.08 4.76 0.74 0.00 3.52 -0.69 -4.73 118.95 121.47 3ias s ARG 713 Ca 0.08 1.54 -0.15 0.00 -0.13 0.00 0.00 55.73 57.07 3ias s ARG 713 Cb 0.05 -3.30 0.04 0.00 -1.56 0.00 0.00 34.95 30.18 3ias s ARG 713 CO 0.05 0.35 1.22 0.00 -0.81 0.00 0.00 175.30 176.12 3ias s ALA 714 N -0.74 2.09 0.32 6.12 0.00 -1.26 -4.87 121.76 123.42 3ias s ALA 714 Ca 0.44 0.93 0.06 0.00 0.00 0.00 0.00 51.96 53.39 3ias s ALA 714 Cb -0.26 -3.49 -0.06 0.00 0.00 0.00 0.00 23.12 19.30 3ias s ALA 714 CO 0.33 -1.94 -0.00 -1.83 0.00 0.00 0.00 175.76 172.31 3ias s GLU 715 N -3.87 1.68 -0.18 0.00 4.04 -1.26 -1.77 118.70 117.33 3ias s GLU 715 Ca 0.76 -1.90 -0.04 0.00 0.04 0.00 0.00 54.97 53.82 3ias s GLU 715 Cb -0.31 -1.16 0.08 0.00 0.02 0.00 0.00 34.13 32.77 3ias s GLU 715 CO 0.46 -0.06 0.21 -1.17 -1.84 0.00 0.00 175.26 172.85 3ias s LEU 716 N -3.52 -0.09 0.22 1.83 0.20 0.88 -1.70 118.68 116.50 3ias s LEU 716 Ca 0.33 -0.13 0.05 0.00 0.69 0.00 0.00 54.13 55.07 3ias s LEU 716 Cb 0.07 0.35 -0.03 0.00 -0.43 0.00 0.00 46.19 46.15 3ias s LEU 716 CO 0.15 -0.31 0.28 0.26 -0.29 0.00 0.00 176.35 176.43 3ias s TRP 717 N 2.32 3.32 -0.16 5.38 0.51 -0.01 0.31 118.94 130.61 3ias s TRP 717 Ca 0.06 -0.03 -0.33 0.00 -2.12 0.00 0.00 56.10 53.68 3ias s TRP 717 Cb -0.15 -1.52 0.14 0.00 -0.81 0.00 0.00 33.47 31.12 3ias s TRP 717 CO -0.11 0.48 1.14 0.00 -0.51 0.00 0.00 176.95 177.95 3ias s ALA 718 N -1.97 -2.01 0.01 0.98 0.00 -1.06 -1.96 121.76 115.74 3ias s ALA 718 Ca 0.33 1.52 -0.30 0.00 0.00 0.00 0.00 51.96 53.51 3ias s ALA 718 Cb -0.09 -0.23 -0.05 0.00 0.00 0.00 0.00 23.12 22.75 3ias s ALA 718 CO 0.27 -0.54 1.31 -1.58 0.00 0.00 0.00 175.76 175.22 3ias s HIS 719 N -2.25 3.10 0.46 0.00 2.46 -1.25 -1.71 115.29 116.09 3ias s HIS 719 Ca 0.07 1.03 0.34 0.00 0.47 0.00 0.00 55.06 56.97 3ias s HIS 719 Cb -0.01 -3.56 1.50 0.00 -0.13 0.00 0.00 32.58 30.38 3ias s HIS 719 CO -0.05 -1.92 1.61 -1.35 -2.47 0.00 0.00 174.74 170.55 3ias h PRO 720 N 7.42 0.04 0.18 2.88 0.11 -1.93 0.90 132.00 141.60 3ias h PRO 720 Ca -0.38 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.72 3ias h PRO 720 Cb 1.18 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3ias h PRO 720 CO 0.87 0.03 -0.09 0.93 -0.21 0.00 0.00 178.00 179.54 3ias h GLU 721 N 0.05 -0.23 0.00 1.05 5.08 -1.98 -1.88 114.58 116.67 3ias h GLU 721 Ca 0.85 0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 59.22 3ias h GLU 721 Cb 2.82 0.05 -0.00 0.00 0.50 0.00 0.00 28.75 32.12 3ias h GLU 721 CO -0.37 -0.15 -0.05 1.79 -1.00 0.00 0.00 179.01 179.22 3ias h THR 722 N -0.28 0.28 -0.00 1.13 1.35 -0.78 0.69 112.91 115.30 3ias h THR 722 Ca -0.02 -0.34 -0.00 0.00 -0.55 0.00 0.00 66.41 65.50 3ias h THR 722 Cb 0.18 1.26 -0.00 0.00 -1.73 0.00 0.00 68.15 67.86 3ias h THR 722 CO 0.04 0.05 0.00 0.00 -0.25 0.00 0.00 175.52 175.36 3ias h ALA 723 N 1.95 0.00 -0.00 6.62 0.00 0.61 -2.60 119.26 125.83 3ias h ALA 723 Ca -0.00 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.76 3ias h ALA 723 Cb 0.25 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3ias h ALA 723 CO 0.01 -0.35 -0.27 -2.13 0.00 0.00 0.00 179.25 176.51 3ias n ARG 724 N -4.95 0.54 0.15 0.00 0.63 -0.71 -2.30 116.66 110.03 3ias n ARG 724 Ca -0.08 -0.27 0.12 0.00 -0.92 0.00 0.00 57.85 56.69 3ias n ARG 724 Cb 0.16 -1.49 0.08 0.00 0.45 0.00 0.00 32.46 31.66 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 3.45 0.73 -0.46 5.13 0.00 -0.81 -3.11 119.26 124.19 3ias h ALA 725 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 3ias h ALA 725 Cb 0.47 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.21 3ias h ALA 725 CO 0.00 0.00 0.07 -1.91 0.00 0.00 0.00 179.25 177.41 3ias n GLU 726 N -2.84 3.28 -3.14 0.00 2.13 -0.99 -5.00 120.64 114.09 3ias n GLU 726 Ca 0.02 -3.01 -0.04 0.00 0.66 0.00 0.00 57.16 54.79 3ias n GLU 726 Cb 0.54 -2.01 0.01 0.00 0.27 0.00 0.00 31.44 30.24 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 -0.34 -2.52 -3.57 4.31 0.00 -1.17 -5.03 120.51 112.19 3ias n ALA 727 Ca 0.30 -0.01 -0.29 0.00 0.00 0.00 0.00 53.44 53.44 3ias n ALA 727 Cb 1.10 -1.97 -0.15 0.00 0.00 0.00 0.00 19.45 18.44 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 -4.26 0.89 0.90 0.00 1.43 -0.97 -5.00 118.68 111.66 3ias s LEU 728 Ca 0.06 -1.45 -0.13 0.00 -1.03 0.00 0.00 54.13 51.58 3ias s LEU 728 Cb -0.01 -0.45 0.04 0.00 0.03 0.00 0.00 46.19 45.80 3ias s LEU 728 CO 0.76 -0.42 0.53 -2.65 0.23 0.00 0.00 176.35 174.80 3ias n PRO 729 N 5.04 -0.19 0.04 1.29 -0.02 -1.26 -4.36 135.00 135.55 3ias n PRO 729 Ca -0.03 -0.01 0.08 0.00 -2.02 0.00 0.00 63.50 61.52 3ias n PRO 729 Cb 0.41 -1.93 0.35 0.00 -0.02 0.00 0.00 33.50 32.31 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 -1.86 0.06 -2.73 -0.52 2.13 -1.26 -3.39 120.64 113.07 3ias n GLU 730 Ca 0.08 0.33 -0.05 0.00 0.66 0.00 0.00 57.16 58.18 3ias n GLU 730 Cb 0.53 -1.62 0.06 0.00 0.27 0.00 0.00 31.44 30.68 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 -0.15 1.65 3.90 8.31 0.00 -1.26 -4.51 105.19 113.14 3ias n GLY 731 Ca 0.03 -0.95 -0.34 0.00 0.00 0.00 0.00 46.02 44.76 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 -2.65 3.95 -0.43 4.61 0.00 -1.22 -4.91 121.76 121.11 3ias s ALA 732 Ca 0.24 -0.74 -0.22 0.00 0.00 0.00 0.00 51.96 51.24 3ias s ALA 732 Cb 0.40 -1.90 0.02 0.00 0.00 0.00 0.00 23.12 21.64 3ias s ALA 732 CO -0.02 0.73 0.71 -0.65 0.00 0.00 0.00 175.76 176.52 3ias s GLN 733 N -1.81 3.38 0.15 0.00 -1.52 -1.26 -2.24 119.66 116.36 3ias s GLN 733 Ca 0.26 -0.20 0.09 0.00 -1.95 0.00 0.00 55.36 53.56 3ias s GLN 733 Cb -0.13 -3.93 -0.04 0.00 -0.22 0.00 0.00 33.01 28.69 3ias s GLN 733 CO 0.17 -1.03 -0.16 0.08 -0.25 0.00 0.00 175.29 174.09 3ias s VAL 734 N 3.02 2.88 -0.20 1.09 1.01 -0.72 -4.94 120.40 122.55 3ias s VAL 734 Ca 0.26 -1.63 -0.08 0.00 0.00 0.00 0.00 61.98 60.53 3ias s VAL 734 Cb -0.13 -2.37 -0.04 0.00 0.00 0.00 0.00 36.38 33.84 3ias s VAL 734 CO 0.20 0.00 0.09 0.00 0.00 0.00 0.00 175.10 175.40 3ias s ALA 735 N -1.40 3.49 0.05 5.51 0.00 -1.26 -0.46 121.76 127.68 3ias s ALA 735 Ca 0.21 -0.77 0.05 0.00 0.00 0.00 0.00 51.96 51.44 3ias s ALA 735 Cb -0.10 -2.04 -0.02 0.00 0.00 0.00 0.00 23.12 20.96 3ias s ALA 735 CO 0.12 0.09 -0.15 0.08 0.00 0.00 0.00 175.76 175.89 3ias s VAL 736 N 0.53 1.19 -0.12 0.00 1.01 -0.41 -1.77 120.40 120.83 3ias s VAL 736 Ca 0.05 -1.07 0.01 0.00 0.00 0.00 0.00 61.98 60.97 3ias s VAL 736 Cb -0.12 -1.08 0.02 0.00 0.00 0.00 0.00 36.38 35.20 3ias s VAL 736 CO 0.00 -0.01 -0.16 -0.70 0.00 0.00 0.00 175.10 174.24 3ias s GLU 737 N -1.24 2.31 0.35 2.72 2.12 -0.46 -1.13 118.70 123.38 3ias s GLU 737 Ca 0.02 -0.59 0.08 0.00 0.36 0.00 0.00 54.97 54.84 3ias s GLU 737 Cb -0.08 -1.99 -0.07 0.00 0.26 0.00 0.00 34.13 32.25 3ias s GLU 737 CO 0.02 -0.10 -0.05 0.99 -0.54 0.00 0.00 175.26 175.57 3ias s THR 738 N 1.08 2.02 -0.85 -1.70 2.01 -0.69 -2.44 115.64 115.07 3ias s THR 738 Ca -0.04 -2.13 0.01 0.00 0.31 0.00 0.00 61.69 59.84 3ias s THR 738 Cb -0.14 -2.71 0.01 0.00 0.01 0.00 0.00 72.50 69.66 3ias s THR 738 CO -0.04 -0.15 0.97 -2.65 -0.69 0.00 0.00 174.62 172.05 3ias n PRO 739 N -0.80 0.01 0.00 4.92 -0.02 -1.26 -1.06 135.00 136.79 3ias n PRO 739 Ca -0.05 0.45 0.10 0.00 -2.02 0.00 0.00 63.50 61.98 3ias n PRO 739 Cb 0.65 -1.58 0.05 0.00 -0.02 0.00 0.00 33.50 32.59 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 -1.47 0.00 0.00 6.00 3.72 -1.26 -3.78 117.46 120.67 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 0.06 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.60 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 1.23 3.02 3.65 1.37 0.00 -0.22 -4.80 105.19 109.45 3ias n GLY 741 Ca 0.10 -1.84 -0.40 0.00 0.00 0.00 0.00 46.02 43.88 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 -1.99 4.18 0.00 1.61 3.52 -1.26 -1.70 118.95 123.31 3ias s ARG 742 Ca 0.00 0.46 0.02 0.00 -0.13 0.00 0.00 55.73 56.08 3ias s ARG 742 Cb 0.00 -3.58 -0.01 0.00 -1.56 0.00 0.00 34.95 29.80 3ias s ARG 742 CO 0.00 -0.20 -0.07 0.08 -0.81 0.00 0.00 175.30 174.30 3ias s VAL 743 N 1.81 0.54 -0.04 7.11 1.01 -0.28 -4.97 120.40 125.58 3ias s VAL 743 Ca 0.25 -0.43 -0.17 0.00 0.00 0.00 0.00 61.98 61.63 3ias s VAL 743 Cb -0.16 -0.48 -0.05 0.00 0.00 0.00 0.00 36.38 35.69 3ias s VAL 743 CO 0.10 0.06 0.47 -1.83 0.00 0.00 0.00 175.10 173.89 3ias s GLU 744 N -0.41 4.17 0.01 2.72 1.03 -1.26 -1.29 118.70 123.68 3ias s GLU 744 Ca 0.01 0.49 -0.02 0.00 0.03 0.00 0.00 54.97 55.47 3ias s GLU 744 Cb -0.04 -3.33 -0.01 0.00 -0.80 0.00 0.00 34.13 29.95 3ias s GLU 744 CO -0.00 0.43 0.02 0.00 -1.33 0.00 0.00 175.26 174.38 3ias s ALA 745 N -0.26 -0.02 0.85 -0.84 0.00 0.39 -4.35 121.76 117.53 3ias s ALA 745 Ca 0.26 -0.44 -0.11 0.00 0.00 0.00 0.00 51.96 51.67 3ias s ALA 745 Cb -0.16 0.13 0.11 0.00 0.00 0.00 0.00 23.12 23.20 3ias s ALA 745 CO 0.13 -0.17 1.15 -0.98 0.00 0.00 0.00 175.76 175.89 3ias s ARG 746 N -1.41 1.46 -0.10 0.00 1.70 -0.73 -1.75 118.95 118.12 3ias s ARG 746 Ca -0.15 1.55 0.03 0.00 -0.47 0.00 0.00 55.73 56.69 3ias s ARG 746 Cb -0.09 -1.78 0.01 0.00 -0.57 0.00 0.00 34.95 32.52 3ias s ARG 746 CO -0.00 -2.30 -0.20 0.54 -1.08 0.00 0.00 175.30 172.25 3ias s VAL 747 N -2.53 1.82 -0.01 4.99 0.11 -0.95 -0.09 120.40 123.75 3ias s VAL 747 Ca 0.68 -0.87 0.05 0.00 -2.93 0.00 0.00 61.98 58.90 3ias s VAL 747 Cb -0.23 -1.60 -0.01 0.00 -1.53 0.00 0.00 36.38 33.01 3ias s VAL 747 CO 0.55 0.51 -0.15 -0.69 -3.33 0.00 0.00 175.10 171.99 3ias s VAL 748 N 0.54 1.16 0.02 2.04 1.01 0.15 -4.02 120.40 121.31 3ias s VAL 748 Ca -0.15 -0.63 -0.21 0.00 0.00 0.00 0.00 61.98 60.99 3ias s VAL 748 Cb -0.17 -0.97 -0.06 0.00 0.00 0.00 0.00 36.38 35.18 3ias s VAL 748 CO 0.05 0.33 0.61 -1.00 0.00 0.00 0.00 175.10 175.10 3ias s HIS 749 N -0.34 3.73 -0.20 5.22 3.76 -1.26 -2.57 115.29 123.62 3ias s HIS 749 Ca 0.06 1.26 -0.04 0.00 -0.15 0.00 0.00 55.06 56.19 3ias s HIS 749 Cb -0.06 -2.61 0.10 0.00 1.11 0.00 0.00 32.58 31.12 3ias s HIS 749 CO -0.01 0.40 0.29 1.03 -0.85 0.00 0.00 174.74 175.61 3ias s ARG 750 N -0.42 0.24 0.00 1.40 0.52 -0.70 -4.92 118.95 115.07 3ias s ARG 750 Ca 0.31 0.47 0.10 0.00 -0.52 0.00 0.00 55.73 56.09 3ias s ARG 750 Cb -0.19 -0.65 0.55 0.00 0.52 0.00 0.00 34.95 35.18 3ias s ARG 750 CO 0.19 -0.55 1.15 0.39 0.02 0.00 0.00 175.30 176.49 3ias n GLU 751 N 5.34 0.21 0.00 3.54 1.02 -1.26 -1.34 120.64 128.15 3ias n GLU 751 Ca -0.05 0.12 0.11 0.00 -0.02 0.00 0.00 57.16 57.32 3ias n GLU 751 Cb 0.50 -1.50 -0.04 0.00 -0.02 0.00 0.00 31.44 30.38 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 1.27 -4.61 1.62 5.75 -1.26 -4.87 116.55 113.26 3ias n ASP 752 Ca 0.06 -1.09 -0.43 0.00 -0.01 0.00 0.00 54.79 53.32 3ias n ASP 752 Cb 0.06 0.76 -0.03 0.00 -1.03 0.00 0.00 41.12 40.88 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 -2.83 4.59 0.23 2.12 1.01 -0.45 -4.57 120.40 120.49 3ias s VAL 753 Ca 0.12 1.34 -0.28 0.00 0.00 0.00 0.00 61.98 63.16 3ias s VAL 753 Cb 0.17 -4.34 -0.16 0.00 0.00 0.00 0.00 36.38 32.05 3ias s VAL 753 CO 0.76 -0.49 0.70 -0.81 0.00 0.00 0.00 175.10 175.25 3ias n PRO 754 N 6.74 0.47 -1.68 2.72 -0.04 -1.26 -3.97 135.00 137.98 3ias n PRO 754 Ca 0.08 0.16 -0.46 0.00 -0.04 0.00 0.00 63.50 63.24 3ias n PRO 754 Cb 0.48 -1.30 -0.04 0.00 -0.04 0.00 0.00 33.50 32.60 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 0.92 2.33 -0.63 0.54 3.00 -1.26 -3.12 118.16 119.94 3ias n LYS 755 Ca 0.15 0.85 0.00 0.00 -0.00 0.00 0.00 58.31 59.31 3ias n LYS 755 Cb 0.27 -2.69 0.00 0.00 0.00 0.00 0.00 35.03 32.61 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 4.12 0.82 3.93 3.14 0.00 -1.26 -5.04 105.19 110.89 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 -3.26 3.32 -0.14 1.61 3.76 -1.18 -5.05 115.29 114.36 3ias s HIS 757 Ca 0.00 -0.07 0.02 0.00 -0.15 0.00 0.00 55.06 54.86 3ias s HIS 757 Cb 0.00 -1.58 0.01 0.00 1.11 0.00 0.00 32.58 32.13 3ias s HIS 757 CO 0.00 0.41 -0.19 -0.51 -0.85 0.00 0.00 174.74 173.60 3ias s LEU 758 N -3.97 1.96 -0.35 0.89 1.02 -1.23 -4.60 118.68 112.40 3ias s LEU 758 Ca 0.35 -0.56 -0.21 0.00 0.02 0.00 0.00 54.13 53.74 3ias s LEU 758 Cb -0.09 -1.33 0.00 0.00 0.02 0.00 0.00 46.19 44.80 3ias s LEU 758 CO 0.28 0.03 0.65 -0.31 0.02 0.00 0.00 176.35 177.02 3ias s TYR 759 N 1.05 3.15 -0.14 0.29 4.12 -0.83 -1.46 117.35 123.53 3ias s TYR 759 Ca -0.03 0.38 -0.07 0.00 0.02 0.00 0.00 57.07 57.37 3ias s TYR 759 Cb -0.14 -3.16 -0.04 0.00 -1.52 0.00 0.00 41.96 37.10 3ias s TYR 759 CO -0.05 -0.63 0.09 -1.17 0.02 0.00 0.00 175.55 173.80 3ias s LEU 760 N 2.74 4.05 -0.49 -1.29 2.96 -0.25 -0.82 118.68 125.57 3ias s LEU 760 Ca 0.25 0.26 -0.28 0.00 -0.22 0.00 0.00 54.13 54.14 3ias s LEU 760 Cb -0.14 -2.00 -0.09 0.00 0.50 0.00 0.00 46.19 44.46 3ias s LEU 760 CO 0.15 0.30 2.39 -0.24 -1.32 0.00 0.00 176.35 177.64 3ias n SER 761 N 2.67 2.20 -3.54 3.68 2.88 -0.69 0.50 113.62 121.32 3ias n SER 761 Ca -0.18 -0.19 -0.41 0.00 -1.33 0.00 0.00 58.87 56.77 3ias n SER 761 Cb 0.53 -1.46 -0.01 0.00 -0.75 0.00 0.00 64.21 62.52 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 13.78 6.52 0.17 -1.46 0.00 -0.41 -4.75 120.51 134.36 3ias n ALA 762 Ca 0.40 -3.78 0.11 0.00 0.00 0.00 0.00 53.44 50.17 3ias n ALA 762 Cb 0.43 -3.36 0.60 0.00 0.00 0.00 0.00 19.45 17.11 3ias n ALA 762 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3ias h LEU 763 N 8.18 0.00 0.00 0.00 3.38 -1.83 -3.36 115.31 121.68 3ias h LEU 763 Ca 0.70 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.67 3ias h LEU 763 Cb 0.46 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.21 3ias h LEU 763 CO 1.79 0.00 0.00 0.61 0.09 0.00 0.00 178.44 180.93 3ias n GLY 764 N -1.29 0.40 0.89 0.83 0.00 -1.26 -1.44 105.19 103.32 3ias n GLY 764 Ca -0.01 -1.63 0.08 0.00 0.00 0.00 0.00 46.02 44.45 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 3.02 -0.92 1.61 -0.04 -1.26 -4.34 135.00 133.07 3ias n PRO 765 Ca 0.00 -2.65 0.03 0.00 -0.04 0.00 0.00 63.50 60.84 3ias n PRO 765 Cb 0.00 -1.71 0.37 0.00 -0.04 0.00 0.00 33.50 32.11 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 -0.14 4.08 -1.47 0.55 0.00 -1.26 -4.63 120.51 117.64 3ias n ALA 766 Ca 0.19 -1.99 -0.31 0.00 0.00 0.00 0.00 53.44 51.33 3ias n ALA 766 Cb 0.78 -1.17 0.06 0.00 0.00 0.00 0.00 19.45 19.13 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 -2.79 2.53 0.00 0.00 0.00 -1.26 -3.84 121.76 116.40 3ias s ALA 767 Ca 0.53 0.18 0.00 0.00 0.00 0.00 0.00 51.96 52.68 3ias s ALA 767 Cb 0.41 -3.22 0.00 0.00 0.00 0.00 0.00 23.12 20.32 3ias s ALA 767 CO 0.15 -1.39 0.00 0.41 0.00 0.00 0.00 175.76 174.93 3ias n GLY 768 N -1.61 0.49 3.52 0.00 0.00 -0.71 -4.90 105.19 101.97 3ias n GLY 768 Ca 0.08 -0.68 -0.31 0.00 0.00 0.00 0.00 46.02 45.11 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 2.87 -0.19 0.99 1.43 -1.25 -4.19 118.68 118.33 3ias s LEU 769 Ca 0.00 -0.31 -0.09 0.00 -1.03 0.00 0.00 54.13 52.70 3ias s LEU 769 Cb 0.00 -1.67 -0.05 0.00 0.03 0.00 0.00 46.19 44.51 3ias s LEU 769 CO 0.00 0.26 0.10 -0.13 0.23 0.00 0.00 176.35 176.81 3ias s ARG 770 N -1.51 4.10 0.07 1.70 0.52 -1.26 -0.38 118.95 122.19 3ias s ARG 770 Ca 0.16 -0.27 0.01 0.00 -0.52 0.00 0.00 55.73 55.11 3ias s ARG 770 Cb -0.11 -3.33 -0.04 0.00 0.52 0.00 0.00 34.95 31.99 3ias s ARG 770 CO 0.07 0.29 -0.06 0.08 0.02 0.00 0.00 175.30 175.70 3ias s VAL 771 N 0.37 0.48 0.92 3.52 1.01 0.54 -4.04 120.40 123.20 3ias s VAL 771 Ca 0.06 -1.65 -0.13 0.00 0.00 0.00 0.00 61.98 60.27 3ias s VAL 771 Cb -0.12 -1.30 0.14 0.00 0.00 0.00 0.00 36.38 35.10 3ias s VAL 771 CO -0.01 -0.78 1.15 -1.61 0.00 0.00 0.00 175.10 173.85 3ias s GLU 772 N -3.21 1.06 0.00 2.72 0.41 -1.22 -0.70 118.70 117.76 3ias s GLU 772 Ca 0.04 0.22 0.00 0.00 -0.41 0.00 0.00 54.97 54.82 3ias s GLU 772 Cb 0.02 -1.84 0.00 0.00 -1.78 0.00 0.00 34.13 30.53 3ias s GLU 772 CO -0.05 -2.23 0.00 0.41 -0.49 0.00 0.00 175.26 172.90 3ias n GLY 773 N -2.33 0.15 3.73 -1.39 0.00 -1.26 -4.34 105.19 99.74 3ias n GLY 773 Ca 0.07 -1.75 -0.03 0.00 0.00 0.00 0.00 46.02 44.31 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 -1.66 1.10 -0.59 1.61 3.03 -1.02 -4.95 118.95 116.47 3ias s ARG 774 Ca 0.00 -0.60 -0.23 0.00 2.03 0.00 0.00 55.73 56.94 3ias s ARG 774 Cb 0.00 0.38 0.06 0.00 -1.03 0.00 0.00 34.95 34.36 3ias s ARG 774 CO 0.00 -0.50 0.89 0.08 -1.13 0.00 0.00 175.30 174.64 3ias s VAL 775 N -3.19 4.45 0.52 4.99 1.01 -1.26 -1.35 120.40 125.56 3ias s VAL 775 Ca 0.12 -0.13 -0.21 0.00 0.00 0.00 0.00 61.98 61.76 3ias s VAL 775 Cb -0.01 -4.56 -0.06 0.00 0.00 0.00 0.00 36.38 31.75 3ias s VAL 775 CO 0.01 -1.20 1.15 -1.48 0.00 0.00 0.00 175.10 173.58 3ias s LEU 776 N 3.76 3.83 0.00 3.92 2.34 -0.73 -5.00 118.68 126.80 3ias s LEU 776 Ca 0.24 2.24 0.00 0.00 0.06 0.00 0.00 54.13 56.67 3ias s LEU 776 Cb -0.16 -4.47 0.00 0.00 -0.56 0.00 0.00 46.19 41.01 3ias s LEU 776 CO 0.14 -1.15 0.36 0.52 -1.06 0.00 0.00 176.35 175.16