#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r7a n LYS 2 N 0.00 2.37 -1.65 2.12 4.76 -1.26 -4.85 118.16 119.65 1r7a n LYS 2 Ca 0.00 0.84 -0.37 0.00 -2.87 0.00 0.00 58.31 55.91 1r7a n LYS 2 Cb 0.00 -2.50 -0.03 0.00 -1.84 0.00 0.00 35.03 30.66 1r7a n LYS 2 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 1r7a n ASN 3 N 1.08 7.96 -4.22 4.39 5.15 -1.26 -4.87 115.26 123.48 1r7a n ASN 3 Ca 0.05 -2.92 -0.20 0.00 -0.60 0.00 0.00 54.58 50.91 1r7a n ASN 3 Cb 0.36 -1.42 -0.12 0.00 -0.53 0.00 0.00 39.78 38.08 1r7a n ASN 3 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 1r7a s LYS 4 N 0.03 0.96 0.25 1.20 -0.14 -1.26 -4.87 119.74 115.90 1r7a s LYS 4 Ca 0.61 -1.08 -0.30 0.00 -1.36 0.00 0.00 55.97 53.83 1r7a s LYS 4 Cb 0.21 -1.03 -0.10 0.00 -1.68 0.00 0.00 37.83 35.23 1r7a s LYS 4 CO -0.09 0.23 1.51 0.08 -0.76 0.00 0.00 175.35 176.31 1r7a s VAL 5 N -1.42 2.47 0.21 3.17 1.01 -1.26 -4.50 120.40 120.08 1r7a s VAL 5 Ca 0.03 0.38 0.09 0.00 0.00 0.00 0.00 61.98 62.48 1r7a s VAL 5 Cb -0.09 -3.25 -0.04 0.00 0.00 0.00 0.00 36.38 33.00 1r7a s VAL 5 CO 0.03 0.06 -0.07 -1.10 0.00 0.00 0.00 175.10 174.02 1r7a s GLN 6 N -0.16 2.13 -0.07 2.72 -0.21 0.05 -1.27 119.66 122.86 1r7a s GLN 6 Ca 0.62 -1.31 -0.01 0.00 0.02 0.00 0.00 55.36 54.68 1r7a s GLN 6 Cb -0.44 -2.16 -0.03 0.00 1.00 0.00 0.00 33.01 31.38 1r7a s GLN 6 CO 0.43 0.41 0.01 -1.17 -2.12 0.00 0.00 175.29 172.85 1r7a s LEU 7 N -3.08 3.59 -0.21 2.90 2.96 -0.57 -0.49 118.68 123.78 1r7a s LEU 7 Ca 0.27 0.13 -0.05 0.00 -0.22 0.00 0.00 54.13 54.25 1r7a s LEU 7 Cb -0.08 -1.87 -0.03 0.00 0.50 0.00 0.00 46.19 44.72 1r7a s LEU 7 CO 0.17 0.36 0.01 -0.63 -1.32 0.00 0.00 176.35 174.94 1r7a s ILE 8 N -0.93 4.04 0.14 6.68 1.01 0.05 -0.28 121.20 131.92 1r7a s ILE 8 Ca 0.15 -0.28 -0.20 0.00 0.00 0.00 0.00 60.65 60.32 1r7a s ILE 8 Cb -0.11 -2.83 0.05 0.00 0.01 0.00 0.00 42.46 39.58 1r7a s ILE 8 CO 0.04 0.42 0.51 0.28 0.00 0.00 0.00 174.94 176.19 1r7a s THR 9 N 1.04 0.03 0.07 2.92 -1.32 -0.66 -0.30 115.64 117.43 1r7a s THR 9 Ca 0.02 -0.26 -0.17 0.00 -1.21 0.00 0.00 61.69 60.07 1r7a s THR 9 Cb -0.14 -1.07 -0.07 0.00 -1.51 0.00 0.00 72.50 69.71 1r7a s THR 9 CO 0.02 -0.14 0.53 -0.31 -2.21 0.00 0.00 174.62 172.50 1r7a s TYR 10 N -3.76 3.75 0.40 9.09 2.02 -1.26 -1.13 117.35 126.46 1r7a s TYR 10 Ca 0.02 1.17 0.12 0.00 -0.37 0.00 0.00 57.07 58.01 1r7a s TYR 10 Cb 0.00 -2.42 0.84 0.00 -0.40 0.00 0.00 41.96 39.98 1r7a s TYR 10 CO -0.12 0.57 1.91 0.00 -1.57 0.00 0.00 175.55 176.33 1r7a h ALA 11 N 4.35 1.53 -0.00 3.71 0.00 -1.91 -3.13 119.26 123.81 1r7a h ALA 11 Ca -0.50 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.17 1r7a h ALA 11 Cb 1.21 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1r7a h ALA 11 CO 0.63 0.35 -0.66 -0.40 0.00 0.00 0.00 179.25 179.17 1r7a n ASP 12 N -4.23 1.10 -1.13 0.00 5.75 -1.26 -3.49 116.55 113.30 1r7a n ASP 12 Ca -0.02 -0.91 0.11 0.00 -0.01 0.00 0.00 54.79 53.96 1r7a n ASP 12 Cb 0.31 0.58 0.24 0.00 -1.03 0.00 0.00 41.12 41.22 1r7a n ASP 12 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1r7a n ARG 13 N -1.06 2.53 -3.62 0.11 1.74 -1.18 -4.08 116.66 111.10 1r7a n ARG 13 Ca 0.07 -2.34 -0.29 0.00 -0.77 0.00 0.00 57.85 54.52 1r7a n ARG 13 Cb 0.36 -1.49 -0.13 0.00 -1.02 0.00 0.00 32.46 30.19 1r7a n ARG 13 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 1r7a s LEU 14 N -1.23 2.07 0.00 0.55 2.96 -1.24 -0.67 118.68 121.12 1r7a s LEU 14 Ca 0.39 -2.48 0.00 0.00 -0.22 0.00 0.00 54.13 51.82 1r7a s LEU 14 Cb 0.22 -0.80 0.00 0.00 0.50 0.00 0.00 46.19 46.11 1r7a s LEU 14 CO 0.29 -0.28 0.00 0.61 -1.32 0.00 0.00 176.35 175.65 1r7a n GLY 15 N 3.71 0.16 0.17 7.98 0.00 0.15 -3.95 105.19 113.41 1r7a n GLY 15 Ca 0.10 -2.06 0.13 0.00 0.00 0.00 0.00 46.02 44.20 1r7a n GLY 15 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1r7a h ASP 16 N 0.00 0.00 0.00 1.61 3.32 -1.87 -3.38 116.42 116.11 1r7a h ASP 16 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1r7a h ASP 16 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1r7a h ASP 16 CO 0.00 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.13 1r7a n GLY 17 N -0.09 1.45 3.29 2.75 0.00 -1.26 -5.07 105.19 106.26 1r7a n GLY 17 Ca 0.01 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.88 1r7a n GLY 17 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1r7a s THR 18 N -2.00 1.06 0.31 2.61 -4.23 -1.23 -4.30 115.64 107.86 1r7a s THR 18 Ca 0.00 -2.04 0.00 0.00 -1.18 0.00 0.00 61.69 58.47 1r7a s THR 18 Cb 0.00 -2.12 0.21 0.00 1.34 0.00 0.00 72.50 71.93 1r7a s THR 18 CO 0.00 -0.51 1.92 0.40 -0.54 0.00 0.00 174.62 175.89 1r7a h ILE 19 N 2.62 1.20 -0.20 2.99 2.04 -1.34 0.44 117.51 125.25 1r7a h ILE 19 Ca -0.37 -0.56 -0.00 0.00 1.00 0.00 0.00 64.86 64.93 1r7a h ILE 19 Cb 1.21 0.43 -0.01 0.00 -0.74 0.00 0.00 36.82 37.71 1r7a h ILE 19 CO 0.64 0.23 0.13 0.50 0.00 0.00 0.00 178.15 179.65 1r7a h LYS 20 N 0.85 0.27 -0.44 2.37 3.64 -1.92 -0.32 116.57 121.01 1r7a h LYS 20 Ca 0.21 -0.02 -0.08 0.00 -1.27 0.00 0.00 60.65 59.48 1r7a h LYS 20 Cb 0.09 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.84 1r7a h LYS 20 CO -0.03 0.21 -0.05 1.03 -2.27 0.00 0.00 179.45 178.34 1r7a h SER 21 N 0.25 0.82 -0.81 4.20 0.87 -1.78 -1.42 113.55 115.69 1r7a h SER 21 Ca 0.07 -0.34 0.06 0.00 -1.23 0.00 0.00 61.79 60.36 1r7a h SER 21 Cb 0.01 -0.22 -0.06 0.00 -0.44 0.00 0.00 62.40 61.68 1r7a h SER 21 CO -0.01 0.96 0.49 -0.03 -0.53 0.00 0.00 176.83 177.70 1r7a h MET 22 N 0.66 0.86 -0.49 2.24 1.85 -0.73 -0.24 114.93 119.08 1r7a h MET 22 Ca 0.12 -0.05 -0.02 0.00 -0.61 0.00 0.00 59.70 59.14 1r7a h MET 22 Cb 0.57 -0.19 -0.02 0.00 0.43 0.00 0.00 31.60 32.39 1r7a h MET 22 CO 0.03 0.57 0.23 1.15 -0.40 0.00 0.00 176.91 178.49 1r7a h THR 23 N 0.89 1.19 -0.56 -0.77 2.02 -0.75 -1.62 112.91 113.31 1r7a h THR 23 Ca 0.35 -0.56 0.01 0.00 0.77 0.00 0.00 66.41 66.99 1r7a h THR 23 Cb 0.18 0.66 -0.03 0.00 -1.74 0.00 0.00 68.15 67.22 1r7a h THR 23 CO -0.18 0.22 0.37 -0.78 0.37 0.00 0.00 175.52 175.52 1r7a h ASP 24 N 0.64 0.62 -0.52 4.18 3.58 -0.39 -1.51 116.42 123.02 1r7a h ASP 24 Ca 0.17 -0.01 -0.00 0.00 0.42 0.00 0.00 57.03 57.60 1r7a h ASP 24 Cb 0.13 -0.15 -0.02 0.00 1.72 0.00 0.00 39.33 41.01 1r7a h ASP 24 CO -0.02 0.45 0.31 0.40 -2.88 0.00 0.00 179.24 177.50 1r7a h ILE 25 N 0.74 1.16 -0.16 2.25 1.08 -0.79 -0.16 117.51 121.63 1r7a h ILE 25 Ca 0.21 -0.35 0.02 0.00 -0.39 0.00 0.00 64.86 64.34 1r7a h ILE 25 Cb -0.06 0.46 -0.02 0.00 -3.07 0.00 0.00 36.82 34.13 1r7a h ILE 25 CO -0.06 0.16 0.04 -0.07 -0.69 0.00 0.00 178.15 177.53 1r7a h LEU 26 N 0.69 0.04 -0.74 1.44 3.38 -0.86 0.99 115.31 120.25 1r7a h LEU 26 Ca 0.19 0.02 -0.13 0.00 0.09 0.00 0.00 57.88 58.04 1r7a h LEU 26 Cb -0.01 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1r7a h LEU 26 CO -0.03 0.04 -0.60 0.03 0.09 0.00 0.00 178.44 177.97 1r7a h ARG 27 N 0.11 0.12 0.00 1.13 3.08 -1.11 -2.23 114.38 115.49 1r7a h ARG 27 Ca 0.07 -0.08 -0.00 0.00 0.07 0.00 0.00 59.98 60.04 1r7a h ARG 27 Cb 0.05 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.11 1r7a h ARG 27 CO -0.08 0.68 -1.89 0.25 -1.07 0.00 0.00 179.97 177.86 1r7a n THR 28 N -3.85 0.00 -0.01 2.04 -2.24 -0.09 -4.15 114.28 105.97 1r7a n THR 28 Ca -0.02 -0.45 0.02 0.00 -2.27 0.00 0.00 64.05 61.34 1r7a n THR 28 Cb 0.60 0.05 -0.07 0.00 -2.10 0.00 0.00 70.33 68.82 1r7a n THR 28 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1r7a n ARG 29 N -2.18 0.90 -1.15 -0.78 5.12 0.33 -4.74 116.66 114.16 1r7a n ARG 29 Ca -0.04 -0.06 0.03 0.00 -1.93 0.00 0.00 57.85 55.85 1r7a n ARG 29 Cb 0.51 -1.20 0.12 0.00 -1.16 0.00 0.00 32.46 30.73 1r7a n ARG 29 CO 0.00 0.00 0.00 1.19 -1.93 0.00 0.00 177.63 176.89 1r7a n PHE 30 N -1.93 0.27 -1.78 -1.55 3.72 -0.85 -5.02 117.46 110.33 1r7a n PHE 30 Ca -0.05 -1.23 -0.42 0.00 -0.05 0.00 0.00 57.45 55.71 1r7a n PHE 30 Cb 0.36 -0.22 -0.03 0.00 -0.94 0.00 0.00 39.48 38.65 1r7a n PHE 30 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 1r7a s ASP 31 N -2.85 6.47 0.00 4.37 2.15 -1.13 -1.18 116.67 124.50 1r7a s ASP 31 Ca 0.37 2.68 0.00 0.00 0.43 0.00 0.00 52.55 56.03 1r7a s ASP 31 Cb 0.38 -2.57 0.00 0.00 -0.30 0.00 0.00 42.92 40.43 1r7a s ASP 31 CO -0.10 -0.97 0.00 0.61 -0.17 0.00 0.00 175.17 174.54 1r7a n GLY 32 N 4.17 2.67 0.08 2.66 0.00 -1.26 -4.83 105.19 108.68 1r7a n GLY 32 Ca 0.17 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.08 1r7a n GLY 32 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1r7a n VAL 33 N -2.00 1.46 -3.93 1.61 0.31 -0.33 -4.25 118.33 111.20 1r7a n VAL 33 Ca 0.00 0.12 -0.35 0.00 -0.01 0.00 0.00 64.34 64.11 1r7a n VAL 33 Cb 0.00 -2.26 -0.14 0.00 -0.91 0.00 0.00 33.84 30.54 1r7a n VAL 33 CO 0.00 0.00 0.00 -0.31 -1.32 0.00 0.00 176.83 175.20 1r7a s TYR 34 N -2.29 3.29 -1.18 3.52 2.02 -1.03 -4.53 117.35 117.15 1r7a s TYR 34 Ca -0.20 -1.98 0.25 0.00 -0.37 0.00 0.00 57.07 54.77 1r7a s TYR 34 Cb 0.04 -2.15 0.45 0.00 -0.40 0.00 0.00 41.96 39.90 1r7a s TYR 34 CO 0.36 -0.82 1.37 -0.25 -1.57 0.00 0.00 175.55 174.64 1r7a n ASP 35 N 4.59 0.71 -4.17 2.29 8.00 -0.39 -4.88 116.55 122.70 1r7a n ASP 35 Ca -0.12 -0.50 -0.11 0.00 0.71 0.00 0.00 54.79 54.76 1r7a n ASP 35 Cb 0.43 0.33 -0.10 0.00 -0.02 0.00 0.00 41.12 41.76 1r7a n ASP 35 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1r7a s GLY 36 N -2.89 1.27 -0.18 0.44 0.00 -1.22 -3.26 107.32 101.49 1r7a s GLY 36 Ca 0.13 -1.58 -0.14 0.00 0.00 0.00 0.00 44.72 43.14 1r7a s GLY 36 CO 0.68 -1.32 0.46 0.54 0.00 0.00 0.00 173.10 173.46 1r7a s VAL 37 N -4.13 -0.01 -0.40 1.40 0.11 -0.57 -1.52 120.40 115.29 1r7a s VAL 37 Ca 0.35 0.03 -0.13 0.00 -2.93 0.00 0.00 61.98 59.30 1r7a s VAL 37 Cb 0.06 -0.66 0.03 0.00 -1.53 0.00 0.00 36.38 34.29 1r7a s VAL 37 CO 0.10 0.01 0.26 -2.28 -3.33 0.00 0.00 175.10 169.86 1r7a s HIS 38 N 0.67 3.25 -0.28 1.54 2.46 0.62 -0.76 115.29 122.78 1r7a s HIS 38 Ca -0.03 -0.90 -0.21 0.00 0.47 0.00 0.00 55.06 54.39 1r7a s HIS 38 Cb -0.05 -2.61 -0.01 0.00 -0.13 0.00 0.00 32.58 29.78 1r7a s HIS 38 CO -0.05 -0.66 0.65 0.42 -2.47 0.00 0.00 174.74 172.63 1r7a s ILE 39 N 1.59 4.93 0.77 0.89 1.01 -0.86 -1.66 121.20 127.87 1r7a s ILE 39 Ca 0.03 1.02 -0.14 0.00 0.00 0.00 0.00 60.65 61.56 1r7a s ILE 39 Cb -0.20 -4.00 0.06 0.00 0.01 0.00 0.00 42.46 38.34 1r7a s ILE 39 CO 0.07 -0.09 1.18 -0.76 0.00 0.00 0.00 174.94 175.34 1r7a s LEU 40 N 2.62 3.20 -0.29 2.97 1.43 -0.28 -4.47 118.68 123.85 1r7a s LEU 40 Ca 0.27 2.26 -0.27 0.00 -1.03 0.00 0.00 54.13 55.35 1r7a s LEU 40 Cb -0.15 -4.58 -0.12 0.00 0.03 0.00 0.00 46.19 41.38 1r7a s LEU 40 CO 0.10 -2.39 1.04 -2.65 0.23 0.00 0.00 176.35 172.69 1r7a n PRO 41 N -3.09 0.00 -0.51 1.29 -0.02 -1.26 -4.68 135.00 126.73 1r7a n PRO 41 Ca 0.13 0.00 0.07 0.00 -2.02 0.00 0.00 63.50 61.67 1r7a n PRO 41 Cb 0.51 -0.88 0.16 0.00 -0.02 0.00 0.00 33.50 33.27 1r7a n PRO 41 CO 0.00 0.00 0.00 1.97 1.98 0.00 0.00 175.50 179.45 1r7a n PHE 42 N 3.03 0.00 -2.33 6.00 -1.74 -1.26 -4.64 117.46 116.52 1r7a n PHE 42 Ca 0.23 -1.20 -0.23 0.00 -0.56 0.00 0.00 57.45 55.69 1r7a n PHE 42 Cb -0.03 -0.20 0.14 0.00 1.52 0.00 0.00 39.48 40.90 1r7a n PHE 42 CO 0.00 0.00 0.00 1.19 -0.56 0.00 0.00 176.76 177.39 1r7a n PHE 43 N -1.04 -3.32 -2.88 2.97 3.01 -1.26 -1.27 117.46 113.67 1r7a n PHE 43 Ca 0.16 -1.44 -0.43 0.00 1.01 0.00 0.00 57.45 56.76 1r7a n PHE 43 Cb 0.71 -0.76 -0.05 0.00 -0.01 0.00 0.00 39.48 39.38 1r7a n PHE 43 CO 0.00 0.00 0.00 0.99 1.01 0.00 0.00 176.76 178.76 1r7a s THR 44 N -3.11 4.57 0.37 4.37 2.01 -0.30 -2.24 115.64 121.31 1r7a s THR 44 Ca 0.64 0.73 0.08 0.00 0.31 0.00 0.00 61.69 63.44 1r7a s THR 44 Cb -0.03 -4.36 -0.02 0.00 0.01 0.00 0.00 72.50 68.10 1r7a s THR 44 CO 0.43 -0.71 0.34 -2.16 -0.69 0.00 0.00 174.62 171.83 1r7a s PRO 45 N 3.50 2.68 0.00 4.92 0.04 -1.26 0.66 135.00 145.54 1r7a s PRO 45 Ca 0.34 -1.36 0.22 0.00 0.04 0.00 0.00 61.00 60.24 1r7a s PRO 45 Cb -0.11 -2.47 -0.04 0.00 0.04 0.00 0.00 34.50 31.92 1r7a s PRO 45 CO 0.23 -0.02 1.05 1.97 0.04 0.00 0.00 177.00 180.28 1r7a n PHE 46 N -1.46 0.00 -2.16 0.56 1.16 -0.95 -4.18 117.46 110.42 1r7a n PHE 46 Ca 0.00 0.00 -0.13 0.00 -1.87 0.00 0.00 57.45 55.46 1r7a n PHE 46 Cb 0.60 0.00 0.05 0.00 -1.61 0.00 0.00 39.48 38.53 1r7a n PHE 46 CO 0.00 0.00 0.00 -0.40 -1.87 0.00 0.00 176.76 174.49 1r7a n ASP 47 N -0.20 3.51 0.00 5.98 5.75 -1.26 -2.48 116.55 127.85 1r7a n ASP 47 Ca 0.08 -3.30 0.00 0.00 -0.01 0.00 0.00 54.79 51.57 1r7a n ASP 47 Cb 0.45 -0.40 0.00 0.00 -1.03 0.00 0.00 41.12 40.14 1r7a n ASP 47 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1r7a n GLY 48 N -0.68 0.84 0.15 6.12 0.00 -1.26 -4.89 105.19 105.47 1r7a n GLY 48 Ca 0.30 -0.10 0.04 0.00 0.00 0.00 0.00 46.02 46.25 1r7a n GLY 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1r7a h ALA 49 N -1.83 0.72 -1.03 4.61 0.00 -1.96 -3.38 119.26 116.38 1r7a h ALA 49 Ca 0.00 -0.40 -0.36 0.00 0.00 0.00 0.00 54.91 54.14 1r7a h ALA 49 Cb 0.00 -0.07 -0.39 0.00 0.00 0.00 0.00 17.79 17.33 1r7a h ALA 49 CO 0.00 0.56 -1.15 -3.47 0.00 0.00 0.00 179.25 175.18 1r7a n ASP 50 N -3.22 1.19 -4.09 0.00 2.03 -1.26 -5.03 116.55 106.18 1r7a n ASP 50 Ca 0.02 -2.73 -0.44 0.00 0.52 0.00 0.00 54.79 52.16 1r7a n ASP 50 Cb 0.71 -0.44 0.01 0.00 -0.72 0.00 0.00 41.12 40.68 1r7a n ASP 50 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1r7a n ALA 51 N -0.05 -2.49 0.00 -1.67 0.00 -1.26 -1.48 120.51 113.55 1r7a n ALA 51 Ca 0.10 -0.56 0.00 0.00 0.00 0.00 0.00 53.44 52.98 1r7a n ALA 51 Cb 0.81 -2.31 0.00 0.00 0.00 0.00 0.00 19.45 17.95 1r7a n ALA 51 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1r7a n GLY 52 N -2.08 3.21 0.35 0.00 0.00 -1.03 -4.77 105.19 100.87 1r7a n GLY 52 Ca -0.12 0.00 0.02 0.00 0.00 0.00 0.00 46.02 45.93 1r7a n GLY 52 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1r7a n PHE 53 N -1.13 0.23 -3.34 1.61 3.72 -0.55 -4.00 117.46 114.00 1r7a n PHE 53 Ca 0.00 -0.10 -0.26 0.00 -0.05 0.00 0.00 57.45 57.04 1r7a n PHE 53 Cb 0.00 -0.03 -0.08 0.00 -0.94 0.00 0.00 39.48 38.43 1r7a n PHE 53 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 1r7a n ASP 54 N -0.04 1.96 -4.73 4.37 5.75 -1.26 -4.83 116.55 117.76 1r7a n ASP 54 Ca 0.05 -3.06 -0.41 0.00 -0.01 0.00 0.00 54.79 51.36 1r7a n ASP 54 Cb 0.17 -0.66 -0.03 0.00 -1.03 0.00 0.00 41.12 39.57 1r7a n ASP 54 CO 0.00 0.00 0.00 -2.16 -0.11 0.00 0.00 177.20 174.93 1r7a s PRO 55 N -1.75 4.49 -0.01 0.11 0.04 -1.26 -4.23 135.00 132.40 1r7a s PRO 55 Ca 0.37 1.83 -0.12 0.00 0.04 0.00 0.00 61.00 63.12 1r7a s PRO 55 Cb 0.14 -3.27 -0.33 0.00 0.04 0.00 0.00 34.50 31.09 1r7a s PRO 55 CO -0.07 -0.12 0.84 0.82 0.04 0.00 0.00 177.00 178.51 1r7a h ILE 56 N 3.96 1.12 -2.56 0.56 2.04 -0.09 -1.37 117.51 121.17 1r7a h ILE 56 Ca -0.44 -2.63 -0.50 0.00 1.00 0.00 0.00 64.86 62.29 1r7a h ILE 56 Cb 1.21 2.89 -0.38 0.00 -0.74 0.00 0.00 36.82 39.80 1r7a h ILE 56 CO 0.76 0.84 -0.77 -0.62 0.00 0.00 0.00 178.15 178.36 1r7a s ASP 57 N -7.39 2.89 0.61 1.72 -1.08 -0.57 -4.42 116.67 108.43 1r7a s ASP 57 Ca -0.12 -1.50 0.34 0.00 -0.52 0.00 0.00 52.55 50.75 1r7a s ASP 57 Cb 0.05 -0.16 1.98 0.00 -1.46 0.00 0.00 42.92 43.33 1r7a s ASP 57 CO 0.89 -0.38 2.28 -0.74 0.52 0.00 0.00 175.17 177.75 1r7a h HIS 58 N 7.86 0.00 -0.01 -5.34 -0.00 -1.82 -2.24 115.15 113.60 1r7a h HIS 58 Ca -0.09 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.28 1r7a h HIS 58 Cb 1.01 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.42 1r7a h HIS 58 CO 0.34 0.00 -0.14 0.25 -0.00 0.00 0.00 177.93 178.38 1r7a n THR 59 N -3.64 0.00 -4.10 6.26 -2.24 -1.26 -4.83 114.28 104.47 1r7a n THR 59 Ca -0.03 -0.23 -0.34 0.00 -2.27 0.00 0.00 64.05 61.18 1r7a n THR 59 Cb 0.09 0.62 -0.15 0.00 -2.10 0.00 0.00 70.33 68.79 1r7a n THR 59 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1r7a s LYS 60 N -2.23 3.22 0.33 -0.78 2.20 -0.85 -5.07 119.74 116.55 1r7a s LYS 60 Ca 0.30 -0.72 -0.29 0.00 -0.36 0.00 0.00 55.97 54.91 1r7a s LYS 60 Cb 0.20 -2.79 -0.10 0.00 -1.51 0.00 0.00 37.83 33.63 1r7a s LYS 60 CO 0.42 -0.16 1.38 0.08 -0.36 0.00 0.00 175.35 176.71 1r7a s VAL 61 N 1.28 2.54 0.07 4.02 1.01 -1.26 -1.15 120.40 126.91 1r7a s VAL 61 Ca 0.03 0.53 -0.31 0.00 0.00 0.00 0.00 61.98 62.23 1r7a s VAL 61 Cb -0.14 -3.33 -0.09 0.00 0.00 0.00 0.00 36.38 32.82 1r7a s VAL 61 CO -0.06 0.12 1.74 -0.62 0.00 0.00 0.00 175.10 176.28 1r7a s ASP 62 N -0.24 6.54 0.59 3.32 -1.08 -0.39 -4.63 116.67 120.77 1r7a s ASP 62 Ca 0.52 2.57 0.28 0.00 -0.52 0.00 0.00 52.55 55.40 1r7a s ASP 62 Cb -0.42 -2.56 1.57 0.00 -1.46 0.00 0.00 42.92 40.05 1r7a s ASP 62 CO 0.53 -0.94 2.02 1.05 0.52 0.00 0.00 175.17 178.35 1r7a h GLU 63 N 8.75 0.00 0.00 4.34 4.11 -1.90 0.09 114.58 129.97 1r7a h GLU 63 Ca -0.44 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 58.98 1r7a h GLU 63 Cb 1.21 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.46 1r7a h GLU 63 CO 0.94 0.00 -0.03 0.00 0.07 0.00 0.00 179.01 179.99 1r7a h ARG 64 N 0.00 0.00 0.00 1.06 3.08 -1.98 -3.21 114.38 113.33 1r7a h ARG 64 Ca 0.14 0.00 -0.29 0.00 0.07 0.00 0.00 59.98 59.90 1r7a h ARG 64 Cb 0.78 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.77 1r7a h ARG 64 CO -0.00 0.03 -2.02 1.28 -1.07 0.00 0.00 179.97 178.20 1r7a n LEU 65 N -3.13 0.39 0.00 3.04 4.77 -0.00 -4.81 117.00 117.25 1r7a n LEU 65 Ca 0.01 0.18 0.00 0.00 -0.03 0.00 0.00 56.01 56.17 1r7a n LEU 65 Cb 0.37 0.30 0.00 0.00 -2.33 0.00 0.00 43.42 41.76 1r7a n LEU 65 CO 0.29 0.38 0.00 0.61 -1.33 0.00 0.00 177.39 177.34 1r7a n GLY 66 N 1.60 0.10 3.55 -0.72 0.00 -1.06 -1.18 105.19 107.48 1r7a n GLY 66 Ca -0.23 -0.96 -0.11 0.00 0.00 0.00 0.00 46.02 44.72 1r7a n GLY 66 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1r7a s SER 67 N -4.00 0.33 0.58 1.61 1.04 -1.26 -4.33 113.70 107.67 1r7a s SER 67 Ca 0.00 -1.19 0.36 0.00 0.48 0.00 0.00 55.95 55.59 1r7a s SER 67 Cb 0.00 0.63 1.75 0.00 0.10 0.00 0.00 66.02 68.50 1r7a s SER 67 CO 0.00 -1.24 2.14 -0.50 0.98 0.00 0.00 173.24 174.62 1r7a h TRP 68 N 2.19 0.00 -0.63 5.02 4.06 -1.98 -1.14 115.95 123.48 1r7a h TRP 68 Ca -0.28 0.00 -0.05 0.00 2.06 0.00 0.00 58.89 60.62 1r7a h TRP 68 Cb 1.25 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 29.38 1r7a h TRP 68 CO 0.92 0.03 0.21 -0.44 -3.56 0.00 0.00 178.44 175.60 1r7a h ASP 69 N 0.00 0.87 -0.14 -3.49 3.32 -1.98 -0.19 116.42 114.82 1r7a h ASP 69 Ca -0.00 -0.14 -0.08 0.00 0.02 0.00 0.00 57.03 56.83 1r7a h ASP 69 Cb 0.30 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.60 1r7a h ASP 69 CO 0.00 0.81 -0.15 0.44 -1.72 0.00 0.00 179.24 178.63 1r7a h ASP 70 N 0.92 0.51 -0.42 6.45 3.32 -1.61 -0.50 116.42 125.09 1r7a h ASP 70 Ca 0.21 -0.14 -0.15 0.00 0.02 0.00 0.00 57.03 56.97 1r7a h ASP 70 Cb 0.24 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.65 1r7a h ASP 70 CO -0.01 0.69 -0.31 0.58 -1.72 0.00 0.00 179.24 178.47 1r7a h VAL 71 N 0.48 1.27 -0.73 -1.35 2.07 -1.25 -1.84 116.25 114.90 1r7a h VAL 71 Ca 0.08 -1.48 -0.03 0.00 0.82 0.00 0.00 66.70 66.10 1r7a h VAL 71 Cb 0.54 1.28 -0.03 0.00 -1.52 0.00 0.00 31.29 31.56 1r7a h VAL 71 CO 0.03 0.50 0.33 0.00 0.02 0.00 0.00 177.57 178.45 1r7a h ALA 72 N 0.81 0.94 -0.15 1.67 0.00 -0.59 -1.48 119.26 120.47 1r7a h ALA 72 Ca 0.08 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 1r7a h ALA 72 Cb 0.89 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 1r7a h ALA 72 CO 0.08 0.53 0.08 1.49 0.00 0.00 0.00 179.25 181.44 1r7a h GLU 73 N 1.03 0.20 -0.93 0.00 4.57 -0.94 -2.81 114.58 115.71 1r7a h GLU 73 Ca 0.25 -0.02 0.04 0.00 -1.18 0.00 0.00 59.36 58.45 1r7a h GLU 73 Cb 0.16 -0.04 -0.06 0.00 -0.16 0.00 0.00 28.75 28.65 1r7a h GLU 73 CO -0.03 0.20 0.60 1.25 -1.18 0.00 0.00 179.01 179.85 1r7a h LEU 74 N 0.15 0.99 -2.64 1.64 5.85 -1.06 -2.15 115.31 118.10 1r7a h LEU 74 Ca 0.05 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.77 1r7a h LEU 74 Cb 0.05 -0.22 -0.00 0.00 0.37 0.00 0.00 40.66 40.86 1r7a h LEU 74 CO -0.01 0.67 0.11 0.77 -0.34 0.00 0.00 178.44 179.64 1r7a h SER 75 N 1.15 0.00 0.36 1.25 4.64 -1.00 -1.28 113.55 118.67 1r7a h SER 75 Ca 0.38 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.66 1r7a h SER 75 Cb 0.04 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.12 1r7a h SER 75 CO -0.13 0.00 -0.20 0.11 -0.87 0.00 0.00 176.83 175.74 1r7a h LYS 76 N 0.00 0.00 0.00 4.77 1.57 -1.39 -3.29 116.57 118.23 1r7a h LYS 76 Ca 0.01 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.78 1r7a h LYS 76 Cb 0.23 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.54 1r7a h LYS 76 CO -0.00 0.20 -1.14 0.25 -0.57 0.00 0.00 179.45 178.19 1r7a n THR 77 N -3.88 0.02 -4.27 -0.16 -2.24 -0.59 -5.05 114.28 98.11 1r7a n THR 77 Ca -0.02 -0.07 -0.17 0.00 -2.27 0.00 0.00 64.05 61.52 1r7a n THR 77 Cb 0.29 0.29 -0.14 0.00 -2.10 0.00 0.00 70.33 68.67 1r7a n THR 77 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1r7a s HIS 78 N -2.19 0.73 0.17 4.78 3.76 -0.59 -4.92 115.29 117.03 1r7a s HIS 78 Ca -0.01 -0.19 -0.30 0.00 -0.15 0.00 0.00 55.06 54.41 1r7a s HIS 78 Cb 0.02 -0.46 -0.07 0.00 1.11 0.00 0.00 32.58 33.18 1r7a s HIS 78 CO 0.12 -0.02 0.99 -0.80 -0.85 0.00 0.00 174.74 174.19 1r7a s ASN 79 N -0.43 7.48 -0.09 1.40 -0.87 -1.20 -3.99 114.94 117.24 1r7a s ASN 79 Ca 0.01 1.93 0.00 0.00 -1.57 0.00 0.00 52.86 53.23 1r7a s ASN 79 Cb -0.04 -2.60 -0.03 0.00 -0.02 0.00 0.00 41.25 38.56 1r7a s ASN 79 CO -0.00 -0.04 -0.08 -0.63 -2.57 0.00 0.00 177.10 173.78 1r7a s ILE 80 N -0.45 3.55 -0.10 0.60 1.01 -1.26 -1.51 121.20 123.04 1r7a s ILE 80 Ca 0.46 -0.52 -0.00 0.00 0.00 0.00 0.00 60.65 60.59 1r7a s ILE 80 Cb -0.26 -2.47 -0.03 0.00 0.01 0.00 0.00 42.46 39.72 1r7a s ILE 80 CO 0.32 0.57 -0.09 -0.32 0.00 0.00 0.00 174.94 175.42 1r7a s MET 81 N -0.40 3.07 0.08 2.79 -2.45 0.06 -0.89 119.30 121.55 1r7a s MET 81 Ca 0.06 -0.59 0.02 0.00 -1.25 0.00 0.00 55.69 53.92 1r7a s MET 81 Cb -0.12 -2.64 -0.03 0.00 1.25 0.00 0.00 34.83 33.28 1r7a s MET 81 CO 0.02 0.46 -0.07 0.08 1.05 0.00 0.00 175.02 176.56 1r7a s VAL 82 N -0.27 0.66 0.28 10.11 1.01 -0.45 -2.04 120.40 129.70 1r7a s VAL 82 Ca 0.03 -1.59 -0.21 0.00 0.00 0.00 0.00 61.98 60.21 1r7a s VAL 82 Cb -0.13 -1.25 -0.09 0.00 0.00 0.00 0.00 36.38 34.91 1r7a s VAL 82 CO 0.03 -0.66 0.81 -1.81 0.00 0.00 0.00 175.10 173.47 1r7a s ASP 83 N -2.44 7.12 -0.31 3.32 1.01 -1.26 -0.82 116.67 123.29 1r7a s ASP 83 Ca 0.03 1.56 0.04 0.00 0.71 0.00 0.00 52.55 54.89 1r7a s ASP 83 Cb -0.01 -2.48 0.09 0.00 1.01 0.00 0.00 42.92 41.53 1r7a s ASP 83 CO -0.02 -0.04 0.00 0.00 0.21 0.00 0.00 175.17 175.31 1r7a s ALA 84 N -1.63 2.79 -1.05 5.23 0.00 -0.00 -4.85 121.76 122.24 1r7a s ALA 84 Ca 0.47 -2.29 -0.20 0.00 0.00 0.00 0.00 51.96 49.94 1r7a s ALA 84 Cb -0.16 -1.85 0.09 0.00 0.00 0.00 0.00 23.12 21.20 1r7a s ALA 84 CO 0.21 -1.54 1.39 0.42 0.00 0.00 0.00 175.76 176.24 1r7a s ILE 85 N 0.97 4.31 -0.87 0.00 1.01 -1.26 -2.47 121.20 122.88 1r7a s ILE 85 Ca 0.05 -1.36 0.26 0.00 0.00 0.00 0.00 60.65 59.60 1r7a s ILE 85 Cb -0.19 -4.98 0.10 0.00 0.01 0.00 0.00 42.46 37.39 1r7a s ILE 85 CO -0.07 -1.79 1.53 1.33 0.00 0.00 0.00 174.94 175.94 1r7a n VAL 86 N 6.17 0.16 -0.02 2.92 0.24 -1.26 -4.33 118.33 122.20 1r7a n VAL 86 Ca 0.33 -0.11 -0.06 0.00 -2.04 0.00 0.00 64.34 62.46 1r7a n VAL 86 Cb 0.49 -0.10 -0.13 0.00 -1.47 0.00 0.00 33.84 32.63 1r7a n VAL 86 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 1r7a n ASN 87 N -1.75 0.67 -3.35 -1.34 5.15 -1.26 -4.83 115.26 108.54 1r7a n ASN 87 Ca 0.05 0.31 -0.09 0.00 -0.60 0.00 0.00 54.58 54.25 1r7a n ASN 87 Cb 0.38 0.27 -0.01 0.00 -0.53 0.00 0.00 39.78 39.89 1r7a n ASN 87 CO 0.00 0.00 0.00 -1.38 1.40 0.00 0.00 177.26 177.28 1r7a s HIS 88 N -2.69 0.21 0.26 1.20 -3.43 -1.26 -1.52 115.29 108.06 1r7a s HIS 88 Ca -0.05 -0.73 -0.12 0.00 -0.80 0.00 0.00 55.06 53.36 1r7a s HIS 88 Cb 0.08 0.59 -0.00 0.00 -1.43 0.00 0.00 32.58 31.81 1r7a s HIS 88 CO 0.83 -1.35 0.49 0.00 -2.00 0.00 0.00 174.74 172.71 1r7a s MET 89 N -3.06 1.61 0.45 -0.38 0.23 -0.70 -4.86 119.30 112.59 1r7a s MET 89 Ca 0.17 -1.32 -0.24 0.00 -1.03 0.00 0.00 55.69 53.28 1r7a s MET 89 Cb -0.04 0.47 -0.08 0.00 -1.53 0.00 0.00 34.83 33.66 1r7a s MET 89 CO 0.11 -0.67 1.26 0.45 -2.03 0.00 0.00 175.02 174.14 1r7a s SER 90 N -3.04 6.09 0.06 -1.18 0.15 -0.52 -1.25 113.70 114.01 1r7a s SER 90 Ca 0.23 2.54 0.19 0.00 0.70 0.00 0.00 55.95 59.62 1r7a s SER 90 Cb -0.01 -2.63 0.79 0.00 -1.71 0.00 0.00 66.02 62.47 1r7a s SER 90 CO 0.10 -0.99 1.60 -2.67 1.20 0.00 0.00 173.24 172.48 1r7a n TRP 91 N -0.28 0.21 0.84 3.44 4.27 -0.25 -1.80 117.44 123.87 1r7a n TRP 91 Ca 0.06 0.08 0.10 0.00 -3.89 0.00 0.00 57.50 53.85 1r7a n TRP 91 Cb 0.45 -0.63 0.30 0.00 -1.36 0.00 0.00 31.31 30.07 1r7a n TRP 91 CO 0.00 0.00 0.00 0.39 -2.29 0.00 0.00 177.69 175.79 1r7a n GLU 92 N -1.69 2.03 -1.67 -2.67 1.02 -1.26 -4.03 120.64 112.37 1r7a n GLU 92 Ca 0.04 -1.56 -0.34 0.00 -0.02 0.00 0.00 57.16 55.28 1r7a n GLU 92 Cb 0.22 -1.43 0.06 0.00 -0.02 0.00 0.00 31.44 30.27 1r7a n GLU 92 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1r7a s SER 93 N -1.46 4.78 0.25 1.62 1.04 -0.75 -4.82 113.70 114.36 1r7a s SER 93 Ca 0.34 2.18 -0.05 0.00 0.48 0.00 0.00 55.95 58.90 1r7a s SER 93 Cb 0.19 -2.57 0.32 0.00 0.10 0.00 0.00 66.02 64.06 1r7a s SER 93 CO 0.27 -1.86 1.88 0.11 0.98 0.00 0.00 173.24 174.62 1r7a h LYS 94 N 0.03 1.10 0.24 4.02 1.57 -1.90 -1.31 116.57 120.31 1r7a h LYS 94 Ca -0.48 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.23 1r7a h LYS 94 Cb 1.27 -0.25 -0.00 0.00 0.08 0.00 0.00 32.23 33.33 1r7a h LYS 94 CO 0.52 0.73 -0.13 1.96 -0.57 0.00 0.00 179.45 181.96 1r7a h GLN 95 N 1.13 -0.33 -0.59 3.15 7.50 -1.92 -0.68 115.11 123.37 1r7a h GLN 95 Ca 0.38 0.02 -0.09 0.00 0.50 0.00 0.00 58.65 59.46 1r7a h GLN 95 Cb 0.06 0.08 -0.02 0.00 0.05 0.00 0.00 27.48 27.65 1r7a h GLN 95 CO -0.14 -0.22 -0.00 0.35 -1.50 0.00 0.00 178.83 177.32 1r7a h PHE 96 N -0.35 1.14 -0.69 2.96 3.57 -1.80 -2.49 116.94 119.28 1r7a h PHE 96 Ca -0.03 -0.20 0.04 0.00 3.53 0.00 0.00 57.97 61.31 1r7a h PHE 96 Cb 0.27 -0.30 -0.04 0.00 2.79 0.00 0.00 35.95 38.68 1r7a h PHE 96 CO -0.07 1.01 0.46 1.96 -2.23 0.00 0.00 178.31 179.44 1r7a h GLN 97 N 0.94 0.80 -0.41 1.11 1.08 -1.10 0.28 115.11 117.80 1r7a h GLN 97 Ca 0.17 -0.05 -0.06 0.00 -1.45 0.00 0.00 58.65 57.26 1r7a h GLN 97 Cb 0.56 -0.18 -0.02 0.00 -0.05 0.00 0.00 27.48 27.79 1r7a h GLN 97 CO 0.03 0.53 -0.01 0.22 -0.95 0.00 0.00 178.83 178.65 1r7a h ASP 98 N 0.82 0.62 -0.19 1.46 3.58 -0.69 -1.77 116.42 120.26 1r7a h ASP 98 Ca 0.28 -0.14 -0.18 0.00 0.42 0.00 0.00 57.03 57.41 1r7a h ASP 98 Cb 0.08 -0.16 -0.00 0.00 1.72 0.00 0.00 39.33 40.97 1r7a h ASP 98 CO -0.08 0.70 -0.57 0.58 -2.88 0.00 0.00 179.24 176.99 1r7a h VAL 99 N 0.62 1.29 -0.55 2.25 2.07 -0.65 0.23 116.25 121.51 1r7a h VAL 99 Ca 0.13 -1.77 -0.02 0.00 0.82 0.00 0.00 66.70 65.85 1r7a h VAL 99 Cb 0.40 1.70 -0.03 0.00 -1.52 0.00 0.00 31.29 31.84 1r7a h VAL 99 CO 0.02 0.57 0.25 -0.07 0.02 0.00 0.00 177.57 178.35 1r7a h LEU 100 N 0.60 0.70 0.02 2.57 3.38 -0.67 0.51 115.31 122.42 1r7a h LEU 100 Ca 0.01 -0.07 -0.04 0.00 0.09 0.00 0.00 57.88 57.87 1r7a h LEU 100 Cb 1.17 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.74 1r7a h LEU 100 CO 0.12 0.61 -0.15 0.00 0.09 0.00 0.00 178.44 179.11 1r7a h ALA 101 N 1.50 -0.01 -0.01 1.53 0.00 -1.17 0.86 119.26 121.96 1r7a h ALA 101 Ca 0.19 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1r7a h ALA 101 Cb 0.11 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1r7a h ALA 101 CO -0.02 0.05 -0.49 1.63 0.00 0.00 0.00 179.25 180.42 1r7a n LYS 102 N -4.54 1.45 0.00 0.00 5.02 0.06 -4.15 118.16 116.00 1r7a n LYS 102 Ca -0.10 -0.68 0.00 0.00 -2.02 0.00 0.00 58.31 55.51 1r7a n LYS 102 Cb 0.52 -1.34 0.00 0.00 -0.02 0.00 0.00 35.03 34.19 1r7a n LYS 102 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1r7a n GLY 103 N 1.29 3.26 0.19 0.72 0.00 0.18 -1.29 105.19 109.54 1r7a n GLY 103 Ca 0.07 -0.12 0.13 0.00 0.00 0.00 0.00 46.02 46.10 1r7a n GLY 103 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1r7a h GLU 104 N 0.00 0.00 -0.00 1.61 5.08 -1.90 -1.09 114.58 118.28 1r7a h GLU 104 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1r7a h GLU 104 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1r7a h GLU 104 CO 0.00 0.00 -0.09 0.39 -1.00 0.00 0.00 179.01 178.31 1r7a n GLU 105 N -2.43 0.57 -2.80 2.33 -0.58 -0.41 -4.81 120.64 112.51 1r7a n GLU 105 Ca -0.01 -0.15 -0.40 0.00 -0.42 0.00 0.00 57.16 56.18 1r7a n GLU 105 Cb 0.08 -1.50 -0.05 0.00 -0.57 0.00 0.00 31.44 29.40 1r7a n GLU 105 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1r7a s SER 106 N -2.53 7.53 0.15 1.62 0.15 -0.41 -4.91 113.70 115.30 1r7a s SER 106 Ca 0.28 1.82 0.18 0.00 0.70 0.00 0.00 55.95 58.93 1r7a s SER 106 Cb 0.20 -2.58 0.78 0.00 -1.71 0.00 0.00 66.02 62.71 1r7a s SER 106 CO 0.48 0.09 1.54 -1.84 1.20 0.00 0.00 173.24 174.71 1r7a n GLU 107 N 2.00 0.10 -0.11 5.44 0.28 -1.26 -1.86 120.64 125.22 1r7a n GLU 107 Ca -0.01 0.40 0.12 0.00 -0.16 0.00 0.00 57.16 57.51 1r7a n GLU 107 Cb 0.48 -1.72 0.17 0.00 1.43 0.00 0.00 31.44 31.80 1r7a n GLU 107 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 1r7a n TYR 108 N -1.91 0.29 -0.20 -1.84 4.01 -1.26 -4.52 117.16 111.73 1r7a n TYR 108 Ca 0.02 -0.15 0.01 0.00 -0.16 0.00 0.00 57.90 57.62 1r7a n TYR 108 Cb 0.16 -0.00 0.11 0.00 -0.31 0.00 0.00 39.34 39.30 1r7a n TYR 108 CO 0.00 0.00 0.00 -0.92 -0.46 0.00 0.00 176.86 175.48 1r7a h TYR 109 N 4.52 0.25 0.00 -0.72 3.20 -1.62 -0.70 116.97 121.90 1r7a h TYR 109 Ca 0.00 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.90 1r7a h TYR 109 Cb 0.98 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 39.24 1r7a h TYR 109 CO 0.15 -0.01 0.00 -1.35 -1.64 0.00 0.00 178.16 175.31 1r7a h PRO 110 N 0.29 0.00 0.00 1.82 0.11 -1.82 -3.09 132.00 129.30 1r7a h PRO 110 Ca 0.32 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.42 1r7a h PRO 110 Cb 0.46 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.57 1r7a h PRO 110 CO -0.39 0.00 -0.05 1.98 -0.21 0.00 0.00 178.00 179.34 1r7a h MET 111 N 0.00 0.00 -6.32 1.05 4.05 -1.42 -3.43 114.93 108.86 1r7a h MET 111 Ca 0.00 0.00 -0.68 0.00 -0.28 0.00 0.00 59.70 58.74 1r7a h MET 111 Cb 0.31 0.00 -0.21 0.00 -0.80 0.00 0.00 31.60 30.90 1r7a h MET 111 CO 0.00 0.05 -0.74 -0.06 0.23 0.00 0.00 176.91 176.38 1r7a s PHE 112 N -3.58 2.78 0.02 1.39 0.08 -1.17 -0.68 117.98 116.82 1r7a s PHE 112 Ca 0.02 -0.10 -0.24 0.00 0.12 0.00 0.00 56.93 56.73 1r7a s PHE 112 Cb 0.09 -1.61 -0.05 0.00 -0.57 0.00 0.00 43.02 40.87 1r7a s PHE 112 CO 0.58 0.28 0.72 -0.51 -0.10 0.00 0.00 175.22 176.19 1r7a s LEU 113 N -1.05 4.43 0.35 -0.37 1.43 -0.79 -4.76 118.68 117.92 1r7a s LEU 113 Ca 0.14 1.36 0.04 0.00 -1.03 0.00 0.00 54.13 54.63 1r7a s LEU 113 Cb -0.11 -3.15 -0.06 0.00 0.03 0.00 0.00 46.19 42.91 1r7a s LEU 113 CO 0.03 0.02 0.06 0.42 0.23 0.00 0.00 176.35 177.12 1r7a s THR 114 N 0.01 1.13 0.21 5.49 -4.23 -1.26 -0.85 115.64 116.15 1r7a s THR 114 Ca 0.37 -2.00 -0.10 0.00 -1.18 0.00 0.00 61.69 58.78 1r7a s THR 114 Cb -0.20 -2.72 0.16 0.00 1.34 0.00 0.00 72.50 71.09 1r7a s THR 114 CO 0.21 0.00 1.88 -0.03 -0.54 0.00 0.00 174.62 176.14 1r7a h MET 115 N 2.03 1.01 -0.03 3.99 4.05 -1.49 -2.37 114.93 122.11 1r7a h MET 115 Ca -0.40 -0.06 -0.07 0.00 -0.28 0.00 0.00 59.70 58.89 1r7a h MET 115 Cb 1.25 -0.23 -0.01 0.00 -0.80 0.00 0.00 31.60 31.81 1r7a h MET 115 CO 0.68 0.67 -0.29 0.77 0.23 0.00 0.00 176.91 178.97 1r7a h SER 116 N 1.04 0.05 -0.63 1.39 0.02 -1.84 0.23 113.55 113.82 1r7a h SER 116 Ca 0.28 -0.02 0.02 0.00 -0.84 0.00 0.00 61.79 61.24 1r7a h SER 116 Cb -0.12 -0.01 -0.04 0.00 0.14 0.00 0.00 62.40 62.37 1r7a h SER 116 CO -0.06 0.35 0.40 0.28 -1.14 0.00 0.00 176.83 176.65 1r7a h SER 117 N 0.05 0.66 0.46 3.07 0.02 -1.81 -1.79 113.55 114.22 1r7a h SER 117 Ca 0.01 -0.01 -0.30 0.00 -0.84 0.00 0.00 61.79 60.65 1r7a h SER 117 Cb 0.54 -0.15 -0.04 0.00 0.14 0.00 0.00 62.40 62.90 1r7a h SER 117 CO 0.04 0.47 -1.68 0.58 -1.14 0.00 0.00 176.83 175.09 1r7a h VAL 118 N 0.79 0.91 -2.20 2.27 2.07 -1.43 -3.40 116.25 115.27 1r7a h VAL 118 Ca 0.24 -2.70 -0.60 0.00 0.82 0.00 0.00 66.70 64.46 1r7a h VAL 118 Cb -0.02 2.51 -0.42 0.00 -1.52 0.00 0.00 31.29 31.84 1r7a h VAL 118 CO -0.08 0.65 -0.62 0.49 0.02 0.00 0.00 177.57 178.02 1r7a n PHE 119 N -3.21 3.59 0.16 1.57 3.72 0.78 -4.08 117.46 119.99 1r7a n PHE 119 Ca -0.18 -4.11 0.16 0.00 -0.05 0.00 0.00 57.45 53.26 1r7a n PHE 119 Cb 1.04 -0.54 0.75 0.00 -0.94 0.00 0.00 39.48 39.79 1r7a n PHE 119 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1r7a h PRO 120 N 3.95 0.00 -0.39 -1.08 0.13 -1.55 -1.80 132.00 131.27 1r7a h PRO 120 Ca 0.18 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 65.19 1r7a h PRO 120 Cb 0.64 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 31.70 1r7a h PRO 120 CO 0.82 0.00 0.04 0.09 -0.23 0.00 0.00 178.00 178.72 1r7a n ASN 121 N -4.15 3.45 0.00 1.44 5.03 -1.26 -5.05 115.26 114.72 1r7a n ASN 121 Ca 0.03 -3.37 0.00 0.00 0.87 0.00 0.00 54.58 52.11 1r7a n ASN 121 Cb 0.35 -0.62 0.00 0.00 -1.02 0.00 0.00 39.78 38.49 1r7a n ASN 121 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1r7a n GLY 122 N -0.75 -0.59 3.10 7.41 0.00 -0.67 -5.04 105.19 108.66 1r7a n GLY 122 Ca 0.30 -1.70 -0.17 0.00 0.00 0.00 0.00 46.02 44.45 1r7a n GLY 122 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1r7a s ALA 123 N -2.04 0.88 0.57 4.61 0.00 -1.26 -4.84 121.76 119.68 1r7a s ALA 123 Ca 0.00 -0.77 -0.01 0.00 0.00 0.00 0.00 51.96 51.19 1r7a s ALA 123 Cb 0.00 -0.08 0.03 0.00 0.00 0.00 0.00 23.12 23.07 1r7a s ALA 123 CO 0.00 0.12 0.81 0.95 0.00 0.00 0.00 175.76 177.63 1r7a s THR 124 N -1.02 2.84 0.22 0.00 -4.23 -1.26 -4.96 115.64 107.23 1r7a s THR 124 Ca -0.03 -0.54 -0.09 0.00 -1.18 0.00 0.00 61.69 59.86 1r7a s THR 124 Cb -0.08 -3.09 0.18 0.00 1.34 0.00 0.00 72.50 70.85 1r7a s THR 124 CO 0.01 -0.07 1.87 -0.08 -0.54 0.00 0.00 174.62 175.80 1r7a h GLU 125 N -0.01 1.12 -0.81 3.99 4.81 -2.01 -2.11 114.58 119.55 1r7a h GLU 125 Ca -0.43 -0.10 0.06 0.00 -0.13 0.00 0.00 59.36 58.76 1r7a h GLU 125 Cb 1.29 -0.24 -0.06 0.00 0.63 0.00 0.00 28.75 30.38 1r7a h GLU 125 CO 0.55 0.78 0.49 0.93 -0.73 0.00 0.00 179.01 181.03 1r7a h GLU 126 N 1.13 0.86 -0.29 1.92 3.07 -1.97 0.56 114.58 119.85 1r7a h GLU 126 Ca 0.30 -0.05 0.03 0.00 -0.50 0.00 0.00 59.36 59.13 1r7a h GLU 126 Cb -0.05 -0.19 -0.03 0.00 -0.84 0.00 0.00 28.75 27.63 1r7a h GLU 126 CO -0.06 0.57 0.11 -0.44 -1.40 0.00 0.00 179.01 177.79 1r7a h ASP 127 N 0.89 0.13 0.14 1.42 3.32 -1.76 -1.51 116.42 119.05 1r7a h ASP 127 Ca 0.36 0.03 -0.30 0.00 0.02 0.00 0.00 57.03 57.13 1r7a h ASP 127 Cb 0.19 0.01 0.03 0.00 0.22 0.00 0.00 39.33 39.78 1r7a h ASP 127 CO -0.18 0.11 -1.25 -0.07 -1.72 0.00 0.00 179.24 176.13 1r7a h LEU 128 N 0.24 0.87 -1.74 1.55 3.38 -1.13 -3.29 115.31 115.19 1r7a h LEU 128 Ca 0.13 -0.81 -0.03 0.00 0.09 0.00 0.00 57.88 57.26 1r7a h LEU 128 Cb 0.09 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.56 1r7a h LEU 128 CO -0.12 1.61 -0.16 0.00 0.09 0.00 0.00 178.44 179.86 1r7a h ALA 129 N 0.30 1.60 0.00 1.53 0.00 0.15 -2.69 119.26 120.15 1r7a h ALA 129 Ca -0.19 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1r7a h ALA 129 Cb 1.92 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.69 1r7a h ALA 129 CO 0.24 0.20 0.00 0.41 0.00 0.00 0.00 179.25 180.10 1r7a n GLY 130 N -0.96 -1.48 3.69 0.00 0.00 -0.57 -4.81 105.19 101.06 1r7a n GLY 130 Ca -0.02 -0.07 -0.42 0.00 0.00 0.00 0.00 46.02 45.51 1r7a n GLY 130 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1r7a s ILE 131 N -3.04 3.21 0.31 -0.61 1.01 -1.02 -4.19 121.20 116.87 1r7a s ILE 131 Ca 0.12 0.62 -0.29 0.00 0.00 0.00 0.00 60.65 61.10 1r7a s ILE 131 Cb 0.16 -3.40 -0.11 0.00 0.01 0.00 0.00 42.46 39.12 1r7a s ILE 131 CO 0.51 -0.01 1.49 -0.47 0.00 0.00 0.00 174.94 176.47 1r7a s TYR 132 N 2.68 2.81 -0.01 3.97 5.04 0.18 -5.02 117.35 127.00 1r7a s TYR 132 Ca 0.72 1.01 0.01 0.00 -2.44 0.00 0.00 57.07 56.37 1r7a s TYR 132 Cb -0.38 -3.95 0.01 0.00 0.35 0.00 0.00 41.96 37.99 1r7a s TYR 132 CO 0.31 -3.00 -0.02 1.03 -1.34 0.00 0.00 175.55 172.52 1r7a s ARG 133 N -1.02 0.32 0.00 4.97 1.81 -1.26 -4.95 118.95 118.81 1r7a s ARG 133 Ca 0.58 -0.06 0.31 0.00 -1.72 0.00 0.00 55.73 54.84 1r7a s ARG 133 Cb -0.45 -0.37 1.71 0.00 -0.45 0.00 0.00 34.95 35.40 1r7a s ARG 133 CO 0.51 -0.00 2.13 -0.35 -0.68 0.00 0.00 175.30 176.91 1r7a n PRO 134 N 3.42 0.89 -3.50 3.54 -0.04 -1.26 -4.82 135.00 133.22 1r7a n PRO 134 Ca -0.18 -0.08 -0.12 0.00 -0.04 0.00 0.00 63.50 63.07 1r7a n PRO 134 Cb 0.56 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.48 1r7a n PRO 134 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 1r7a s ARG 135 N -2.17 0.98 0.64 0.54 1.70 -1.26 -1.21 118.95 118.17 1r7a s ARG 135 Ca 0.41 -0.11 -0.18 0.00 -0.47 0.00 0.00 55.73 55.39 1r7a s ARG 135 Cb 0.21 0.45 -0.03 0.00 -0.57 0.00 0.00 34.95 35.02 1r7a s ARG 135 CO 0.40 -0.38 1.03 -2.30 -1.08 0.00 0.00 175.30 172.97 1r7a n PRO 136 N 0.22 0.85 0.00 3.89 -0.02 -1.26 -4.89 135.00 133.78 1r7a n PRO 136 Ca -0.14 0.34 0.00 0.00 -2.02 0.00 0.00 63.50 61.68 1r7a n PRO 136 Cb 0.61 -2.25 0.00 0.00 -0.02 0.00 0.00 33.50 31.83 1r7a n PRO 136 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1r7a n GLY 137 N 1.19 2.63 3.81 -1.23 0.00 -1.26 -5.05 105.19 105.28 1r7a n GLY 137 Ca 0.14 -1.71 -0.33 0.00 0.00 0.00 0.00 46.02 44.12 1r7a n GLY 137 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1r7a s LEU 138 N 0.00 3.91 -0.99 0.99 1.43 -1.26 -4.95 118.68 117.81 1r7a s LEU 138 Ca 0.00 1.78 -0.08 0.00 -1.03 0.00 0.00 54.13 54.80 1r7a s LEU 138 Cb 0.00 -4.54 -0.11 0.00 0.03 0.00 0.00 46.19 41.57 1r7a s LEU 138 CO 0.00 -0.51 3.08 -0.81 0.23 0.00 0.00 176.35 178.34 1r7a n PRO 139 N -0.74 3.19 -3.93 1.29 -0.04 -1.26 -4.86 135.00 128.64 1r7a n PRO 139 Ca 0.08 -2.01 -0.10 0.00 -0.04 0.00 0.00 63.50 61.43 1r7a n PRO 139 Cb 0.53 -2.48 -0.10 0.00 -0.04 0.00 0.00 33.50 31.41 1r7a n PRO 139 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1r7a s PHE 140 N 1.05 0.17 0.08 0.54 0.08 -1.26 -0.92 117.98 117.71 1r7a s PHE 140 Ca 0.66 -0.37 -0.08 0.00 0.12 0.00 0.00 56.93 57.26 1r7a s PHE 140 Cb 0.24 -0.13 -0.00 0.00 -0.57 0.00 0.00 43.02 42.56 1r7a s PHE 140 CO -0.06 -0.24 0.18 -0.08 -0.10 0.00 0.00 175.22 174.92 1r7a s THR 141 N -1.50 0.14 -0.02 0.64 -1.32 -0.80 -4.89 115.64 107.90 1r7a s THR 141 Ca -0.15 -1.19 -0.23 0.00 -1.21 0.00 0.00 61.69 58.92 1r7a s THR 141 Cb -0.08 -1.31 -0.05 0.00 -1.51 0.00 0.00 72.50 69.55 1r7a s THR 141 CO -0.00 -0.66 0.68 -1.00 -2.21 0.00 0.00 174.62 171.43 1r7a s HIS 142 N -3.74 3.65 -0.02 9.09 0.09 -1.26 -1.25 115.29 121.85 1r7a s HIS 142 Ca 0.04 1.28 -0.06 0.00 -0.00 0.00 0.00 55.06 56.32 1r7a s HIS 142 Cb 0.04 -2.74 0.01 0.00 -0.00 0.00 0.00 32.58 29.89 1r7a s HIS 142 CO -0.10 0.22 0.13 0.71 -0.00 0.00 0.00 174.74 175.70 1r7a s TYR 143 N 0.28 -0.04 -0.26 1.40 2.02 -0.64 -4.97 117.35 115.14 1r7a s TYR 143 Ca 0.35 0.08 -0.11 0.00 -0.37 0.00 0.00 57.07 57.02 1r7a s TYR 143 Cb -0.18 -0.01 -0.05 0.00 -0.40 0.00 0.00 41.96 41.32 1r7a s TYR 143 CO 0.19 -0.19 0.20 0.15 -1.57 0.00 0.00 175.55 174.33 1r7a s LYS 144 N -0.74 4.00 -0.46 -0.62 1.02 -1.26 0.33 119.74 122.00 1r7a s LYS 144 Ca -0.08 -0.27 -0.15 0.00 0.02 0.00 0.00 55.97 55.49 1r7a s LYS 144 Cb -0.05 -3.62 0.07 0.00 -0.52 0.00 0.00 37.83 33.71 1r7a s LYS 144 CO 0.01 -0.11 0.38 -0.06 -0.92 0.00 0.00 175.35 174.65 1r7a s PHE 145 N 1.55 3.25 -1.42 3.18 0.40 0.91 -4.43 117.98 121.42 1r7a s PHE 145 Ca 0.08 -0.93 -0.04 0.00 -0.60 0.00 0.00 56.93 55.44 1r7a s PHE 145 Cb -0.15 -3.10 0.03 0.00 0.51 0.00 0.00 43.02 40.31 1r7a s PHE 145 CO 0.09 -0.78 0.66 0.00 0.70 0.00 0.00 175.22 175.89 1r7a n ALA 146 N 5.18 -1.81 0.00 5.36 0.00 0.30 -1.37 120.51 128.16 1r7a n ALA 146 Ca -0.12 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.20 1r7a n ALA 146 Cb 0.44 -2.38 0.00 0.00 0.00 0.00 0.00 19.45 17.51 1r7a n ALA 146 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1r7a n GLY 147 N -1.72 2.93 3.67 0.00 0.00 -1.26 -4.97 105.19 103.83 1r7a n GLY 147 Ca -0.21 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.42 1r7a n GLY 147 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1r7a s LYS 148 N -0.33 4.20 0.03 1.61 2.20 -0.47 -4.98 119.74 122.01 1r7a s LYS 148 Ca 0.00 0.36 -0.30 0.00 -0.36 0.00 0.00 55.97 55.66 1r7a s LYS 148 Cb 0.00 -3.54 -0.06 0.00 -1.51 0.00 0.00 37.83 32.72 1r7a s LYS 148 CO 0.00 -0.08 1.46 0.99 -0.36 0.00 0.00 175.35 177.36 1r7a s THR 149 N 1.41 3.49 0.16 3.43 2.01 -1.26 -0.06 115.64 124.82 1r7a s THR 149 Ca 0.23 0.92 0.08 0.00 0.31 0.00 0.00 61.69 63.23 1r7a s THR 149 Cb -0.15 -3.59 -0.04 0.00 0.01 0.00 0.00 72.50 68.72 1r7a s THR 149 CO 0.09 0.01 -0.17 -0.13 -0.69 0.00 0.00 174.62 173.73 1r7a s ARG 150 N 2.30 1.23 -0.50 4.92 1.81 0.15 -4.93 118.95 123.93 1r7a s ARG 150 Ca 0.66 -1.39 -0.13 0.00 -1.72 0.00 0.00 55.73 53.16 1r7a s ARG 150 Cb -0.34 -1.22 0.12 0.00 -0.45 0.00 0.00 34.95 33.05 1r7a s ARG 150 CO 0.28 0.24 0.41 -0.51 -0.68 0.00 0.00 175.30 175.05 1r7a s LEU 151 N -2.68 5.87 0.10 2.53 1.43 -1.26 -1.63 118.68 123.05 1r7a s LEU 151 Ca 0.15 -1.79 -0.23 0.00 -1.03 0.00 0.00 54.13 51.23 1r7a s LEU 151 Cb -0.05 -2.11 -0.07 0.00 0.03 0.00 0.00 46.19 43.99 1r7a s LEU 151 CO 0.06 -0.75 0.69 -0.69 0.23 0.00 0.00 176.35 175.89 1r7a s VAL 152 N 1.49 4.61 -0.04 -1.59 1.01 -0.38 -1.17 120.40 124.32 1r7a s VAL 152 Ca 0.04 1.49 -0.30 0.00 0.00 0.00 0.00 61.98 63.21 1r7a s VAL 152 Cb -0.28 -4.04 -0.04 0.00 0.00 0.00 0.00 36.38 32.02 1r7a s VAL 152 CO 0.02 0.49 1.35 0.86 0.00 0.00 0.00 175.10 177.82 1r7a s TRP 153 N -0.83 2.87 -0.18 5.22 -0.11 -0.03 -1.90 118.94 123.99 1r7a s TRP 153 Ca 0.34 0.90 -0.04 0.00 1.22 0.00 0.00 56.10 58.51 1r7a s TRP 153 Cb -0.21 -3.60 0.06 0.00 -1.50 0.00 0.00 33.47 28.22 1r7a s TRP 153 CO 0.22 -2.17 0.07 0.14 -4.62 0.00 0.00 176.95 170.60 1r7a s VAL 154 N 2.61 0.14 0.18 5.86 -7.23 -0.10 -1.38 120.40 120.48 1r7a s VAL 154 Ca 0.61 -0.31 0.05 0.00 -1.81 0.00 0.00 61.98 60.53 1r7a s VAL 154 Cb -0.29 -0.74 -0.13 0.00 0.56 0.00 0.00 36.38 35.78 1r7a s VAL 154 CO 0.24 -0.25 1.41 0.28 -0.31 0.00 0.00 175.10 176.47 1r7a h SER 155 N 8.35 0.14 0.00 4.85 0.02 -1.81 -3.37 113.55 121.74 1r7a h SER 155 Ca -0.15 -0.12 0.00 0.00 -0.84 0.00 0.00 61.79 60.68 1r7a h SER 155 Cb 1.14 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.63 1r7a h SER 155 CO 0.31 0.92 0.00 0.49 -1.14 0.00 0.00 176.83 177.40 1r7a n PHE 156 N -3.63 0.00 -1.85 3.45 3.72 -1.26 -4.93 117.46 112.96 1r7a n PHE 156 Ca -0.02 0.00 -0.32 0.00 -0.05 0.00 0.00 57.45 57.06 1r7a n PHE 156 Cb 0.79 0.00 0.02 0.00 -0.94 0.00 0.00 39.48 39.35 1r7a n PHE 156 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 1r7a s THR 157 N 2.58 4.04 -0.30 4.37 -4.23 -1.26 -4.90 115.64 115.95 1r7a s THR 157 Ca 0.00 0.80 0.24 0.00 -1.18 0.00 0.00 61.69 61.55 1r7a s THR 157 Cb 0.00 -3.46 0.25 0.00 1.34 0.00 0.00 72.50 70.63 1r7a s THR 157 CO 0.00 -0.73 1.72 -0.65 -0.54 0.00 0.00 174.62 174.42 1r7a h PRO 158 N -0.09 0.00 0.00 3.99 0.11 -1.98 -1.27 132.00 132.75 1r7a h PRO 158 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1r7a h PRO 158 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1r7a h PRO 158 CO 0.58 0.00 -0.24 1.04 -0.21 0.00 0.00 178.00 179.17 1r7a n GLN 159 N -2.31 0.04 -3.49 1.05 3.00 -1.26 -4.56 117.38 109.85 1r7a n GLN 159 Ca 0.00 0.02 -0.42 0.00 -0.01 0.00 0.00 57.00 56.59 1r7a n GLN 159 Cb 0.14 -1.54 -0.07 0.00 0.00 0.00 0.00 30.24 28.78 1r7a n GLN 159 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.06 176.41 1r7a s GLN 160 N -3.02 2.82 -0.08 -1.09 -0.21 -0.48 -1.09 119.66 116.52 1r7a s GLN 160 Ca 0.12 -2.05 -0.26 0.00 0.02 0.00 0.00 55.36 53.19 1r7a s GLN 160 Cb 0.18 -4.06 -0.03 0.00 1.00 0.00 0.00 33.01 30.09 1r7a s GLN 160 CO 0.61 -1.23 0.84 0.14 -2.12 0.00 0.00 175.29 173.53 1r7a s VAL 161 N 0.88 4.93 0.20 1.09 -7.23 -0.38 -4.39 120.40 115.50 1r7a s VAL 161 Ca 0.10 1.72 -0.30 0.00 -1.81 0.00 0.00 61.98 61.69 1r7a s VAL 161 Cb -0.22 -4.17 -0.08 0.00 0.56 0.00 0.00 36.38 32.47 1r7a s VAL 161 CO -0.02 0.15 1.21 -1.81 -0.31 0.00 0.00 175.10 174.32 1r7a s ASP 162 N 0.97 7.05 0.27 4.85 1.11 -0.48 -1.73 116.67 128.73 1r7a s ASP 162 Ca 0.43 2.29 0.01 0.00 0.18 0.00 0.00 52.55 55.46 1r7a s ASP 162 Cb -0.18 -2.61 -0.04 0.00 1.07 0.00 0.00 42.92 41.16 1r7a s ASP 162 CO 0.20 -0.39 0.45 0.27 1.18 0.00 0.00 175.17 176.88 1r7a s ILE 163 N -0.18 5.18 -0.61 0.77 -4.36 -0.58 -1.88 121.20 119.54 1r7a s ILE 163 Ca 0.53 -0.58 -0.23 0.00 -0.26 0.00 0.00 60.65 60.11 1r7a s ILE 163 Cb -0.34 -3.82 0.06 0.00 1.25 0.00 0.00 42.46 39.61 1r7a s ILE 163 CO 0.38 -0.38 0.92 -0.62 0.24 0.00 0.00 174.94 175.48 1r7a s ASP 164 N -3.75 6.22 0.00 4.36 -1.08 0.15 -4.68 116.67 117.88 1r7a s ASP 164 Ca 0.38 -0.82 0.14 0.00 -0.52 0.00 0.00 52.55 51.72 1r7a s ASP 164 Cb -0.10 -2.41 0.71 0.00 -1.46 0.00 0.00 42.92 39.66 1r7a s ASP 164 CO 0.32 -1.32 1.36 0.35 0.52 0.00 0.00 175.17 176.40 1r7a n THR 165 N 5.96 0.58 0.82 1.71 -2.24 -1.26 -1.85 114.28 117.99 1r7a n THR 165 Ca -0.03 0.15 0.09 0.00 -2.27 0.00 0.00 64.05 61.99 1r7a n THR 165 Cb 0.46 -0.92 0.03 0.00 -2.10 0.00 0.00 70.33 67.80 1r7a n THR 165 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1r7a n ASP 166 N -1.27 2.12 -4.89 3.42 9.92 -1.26 -4.46 116.55 120.13 1r7a n ASP 166 Ca 0.07 -1.56 -0.29 0.00 -0.53 0.00 0.00 54.79 52.48 1r7a n ASP 166 Cb 0.11 0.28 -0.02 0.00 -0.64 0.00 0.00 41.12 40.85 1r7a n ASP 166 CO 0.00 0.00 0.00 -0.94 0.13 0.00 0.00 177.20 176.39 1r7a s SER 167 N -1.92 6.43 0.07 -2.24 1.04 -0.77 -4.95 113.70 111.36 1r7a s SER 167 Ca 0.18 1.03 -0.23 0.00 0.48 0.00 0.00 55.95 57.41 1r7a s SER 167 Cb 0.15 -2.28 -0.16 0.00 0.10 0.00 0.00 66.02 63.84 1r7a s SER 167 CO 0.38 -0.44 1.67 0.44 0.98 0.00 0.00 173.24 176.27 1r7a h ASP 168 N 0.95 0.00 -0.85 7.02 3.32 -1.91 -0.55 116.42 124.40 1r7a h ASP 168 Ca -0.47 -0.07 -0.03 0.00 0.02 0.00 0.00 57.03 56.48 1r7a h ASP 168 Cb 1.19 -0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.70 1r7a h ASP 168 CO 0.63 0.07 0.43 0.11 -1.72 0.00 0.00 179.24 178.76 1r7a h LYS 169 N -0.07 1.22 -0.17 3.56 1.79 -1.91 -0.10 116.57 120.88 1r7a h LYS 169 Ca 0.00 -0.17 -0.01 0.00 -2.18 0.00 0.00 60.65 58.30 1r7a h LYS 169 Cb 0.07 -0.22 -0.01 0.00 -1.58 0.00 0.00 32.23 30.49 1r7a h LYS 169 CO -0.00 0.92 0.09 0.78 -1.08 0.00 0.00 179.45 180.16 1r7a h GLY 170 N 1.22 0.27 1.36 3.86 0.00 -1.66 -1.60 103.07 106.51 1r7a h GLY 170 Ca 0.29 -0.13 -0.07 0.00 0.00 0.00 0.00 47.33 47.42 1r7a h GLY 170 CO -0.04 0.12 -0.00 -0.25 0.00 0.00 0.00 176.54 176.37 1r7a h TRP 171 N 0.16 0.83 -0.82 5.60 2.91 -0.81 -1.57 115.95 122.26 1r7a h TRP 171 Ca 0.06 -0.11 -0.01 0.00 1.13 0.00 0.00 58.89 59.95 1r7a h TRP 171 Cb 0.11 -0.23 -0.04 0.00 -0.51 0.00 0.00 29.16 28.49 1r7a h TRP 171 CO -0.03 0.77 0.45 0.93 -1.03 0.00 0.00 178.44 179.53 1r7a h GLU 172 N 0.73 1.14 -0.15 2.65 5.08 -0.81 -0.58 114.58 122.64 1r7a h GLU 172 Ca 0.14 -0.13 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 1r7a h GLU 172 Cb 0.45 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 1r7a h GLU 172 CO 0.02 0.83 0.05 -0.92 -1.00 0.00 0.00 179.01 177.99 1r7a h TYR 173 N 1.13 0.24 -0.73 4.33 3.20 -0.85 -1.52 116.97 122.77 1r7a h TYR 173 Ca 0.29 -0.02 0.02 0.00 3.14 0.00 0.00 58.73 62.16 1r7a h TYR 173 Cb 0.02 -0.07 -0.04 0.00 1.54 0.00 0.00 36.73 38.18 1r7a h TYR 173 CO 0.00 0.34 0.47 -0.07 -1.64 0.00 0.00 178.16 177.26 1r7a h LEU 174 N 0.07 0.78 -1.39 2.82 3.38 -0.97 -1.51 115.31 118.48 1r7a h LEU 174 Ca 0.05 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.96 1r7a h LEU 174 Cb 0.21 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 1r7a h LEU 174 CO -0.00 0.54 -0.25 0.24 0.09 0.00 0.00 178.44 179.06 1r7a h MET 175 N 0.92 0.00 -0.04 1.13 2.86 -0.97 -1.52 114.93 117.32 1r7a h MET 175 Ca 0.29 0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.83 1r7a h MET 175 Cb -0.02 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.63 1r7a h MET 175 CO -0.10 0.25 -0.42 0.66 1.06 0.00 0.00 176.91 178.37 1r7a h SER 176 N 0.00 0.08 -0.04 1.22 4.64 -0.25 0.52 113.55 119.73 1r7a h SER 176 Ca -0.00 -0.03 -0.03 0.00 -0.47 0.00 0.00 61.79 61.26 1r7a h SER 176 Cb 0.61 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.68 1r7a h SER 176 CO 0.03 0.50 -0.08 0.40 -0.87 0.00 0.00 176.83 176.81 1r7a h ILE 177 N 0.07 1.44 -0.72 0.95 2.04 -0.83 -2.00 117.51 118.46 1r7a h ILE 177 Ca 0.00 -1.43 0.01 0.00 1.00 0.00 0.00 64.86 64.45 1r7a h ILE 177 Cb 0.78 2.29 -0.04 0.00 -0.74 0.00 0.00 36.82 39.11 1r7a h ILE 177 CO 0.06 0.39 0.47 -0.26 0.00 0.00 0.00 178.15 178.81 1r7a h PHE 178 N -0.40 0.90 -0.65 1.37 -1.00 -1.16 -1.62 116.94 114.37 1r7a h PHE 178 Ca 0.00 0.02 0.00 0.00 2.81 0.00 0.00 57.97 60.80 1r7a h PHE 178 Cb 0.67 -0.30 -0.03 0.00 3.61 0.00 0.00 35.95 39.90 1r7a h PHE 178 CO 0.12 0.56 0.41 -0.44 -1.61 0.00 0.00 178.31 177.35 1r7a h ASP 179 N 0.96 0.77 -0.62 2.17 3.32 -0.90 -0.81 116.42 121.32 1r7a h ASP 179 Ca 0.27 -0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.26 1r7a h ASP 179 Cb -0.10 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.23 1r7a h ASP 179 CO -0.06 0.59 0.33 -0.61 -1.72 0.00 0.00 179.24 177.76 1r7a h GLN 180 N 0.88 0.87 -0.48 3.56 5.75 -0.89 -1.31 115.11 123.48 1r7a h GLN 180 Ca 0.23 -0.11 -0.11 0.00 -0.15 0.00 0.00 58.65 58.52 1r7a h GLN 180 Cb -0.05 -0.17 -0.02 0.00 1.07 0.00 0.00 27.48 28.31 1r7a h GLN 180 CO -0.05 0.67 -0.11 0.52 -2.65 0.00 0.00 178.83 177.21 1r7a h MET 181 N 0.84 0.93 -0.09 1.69 2.86 -0.96 -1.58 114.93 118.62 1r7a h MET 181 Ca 0.22 -0.35 -0.06 0.00 -2.06 0.00 0.00 59.70 57.44 1r7a h MET 181 Cb 0.06 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.65 1r7a h MET 181 CO -0.03 1.01 -0.23 0.00 1.06 0.00 0.00 176.91 178.72 1r7a h ALA 182 N 0.89 1.45 -0.00 6.32 0.00 -0.95 -2.24 119.26 124.73 1r7a h ALA 182 Ca 0.12 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1r7a h ALA 182 Cb 0.66 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1r7a h ALA 182 CO 0.05 0.39 -0.27 0.00 0.00 0.00 0.00 179.25 179.42 1r7a n ALA 183 N -2.49 3.04 -1.18 0.00 0.00 -0.51 -4.06 120.51 115.31 1r7a n ALA 183 Ca -0.01 -0.30 0.01 0.00 0.00 0.00 0.00 53.44 53.14 1r7a n ALA 183 Cb 0.32 -1.24 0.24 0.00 0.00 0.00 0.00 19.45 18.77 1r7a n ALA 183 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1r7a n SER 184 N -1.19 3.40 -1.72 0.00 7.64 -0.62 -4.96 113.62 116.17 1r7a n SER 184 Ca 0.09 -3.35 -0.17 0.00 1.01 0.00 0.00 58.87 56.45 1r7a n SER 184 Cb 0.32 -0.61 -0.03 0.00 -1.01 0.00 0.00 64.21 62.88 1r7a n SER 184 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1r7a n HIS 185 N -0.76 -0.52 -2.89 1.43 8.25 -1.23 -4.44 115.22 115.06 1r7a n HIS 185 Ca 0.29 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.36 1r7a n HIS 185 Cb 1.02 -3.25 -0.06 0.00 1.12 0.00 0.00 29.99 28.82 1r7a n HIS 185 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1r7a s VAL 186 N -2.77 4.26 -0.25 1.59 1.01 -1.07 -4.67 120.40 118.50 1r7a s VAL 186 Ca 0.00 1.81 -0.04 0.00 0.00 0.00 0.00 61.98 63.75 1r7a s VAL 186 Cb 0.00 -4.16 -0.16 0.00 0.00 0.00 0.00 36.38 32.06 1r7a s VAL 186 CO 0.00 0.43 -0.21 -1.20 0.00 0.00 0.00 175.10 174.12 1r7a n SER 187 N 1.34 1.98 -4.31 3.32 7.64 -0.07 -4.78 113.62 118.74 1r7a n SER 187 Ca -0.03 0.04 -0.27 0.00 1.01 0.00 0.00 58.87 59.61 1r7a n SER 187 Cb 0.49 -0.57 -0.14 0.00 -1.01 0.00 0.00 64.21 62.97 1r7a n SER 187 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1r7a s TYR 188 N -2.52 2.05 -0.10 1.43 4.12 -0.53 -3.28 117.35 118.53 1r7a s TYR 188 Ca -0.35 -0.39 0.03 0.00 0.02 0.00 0.00 57.07 56.38 1r7a s TYR 188 Cb 0.10 -1.18 -0.01 0.00 -1.52 0.00 0.00 41.96 39.35 1r7a s TYR 188 CO 0.58 0.16 -0.21 0.42 0.02 0.00 0.00 175.55 176.53 1r7a s ILE 189 N -0.91 2.38 -0.29 2.71 -1.09 -0.09 -1.34 121.20 122.58 1r7a s ILE 189 Ca 0.10 -0.92 -0.10 0.00 -2.23 0.00 0.00 60.65 57.50 1r7a s ILE 189 Cb -0.10 -1.93 -0.03 0.00 -1.58 0.00 0.00 42.46 38.83 1r7a s ILE 189 CO 0.03 0.55 0.15 -0.60 -1.23 0.00 0.00 174.94 173.85 1r7a s ARG 190 N 0.17 3.63 -0.77 2.79 3.52 0.00 -0.42 118.95 127.86 1r7a s ARG 190 Ca -0.12 -0.52 -0.23 0.00 -0.13 0.00 0.00 55.73 54.73 1r7a s ARG 190 Cb -0.16 -3.56 0.07 0.00 -1.56 0.00 0.00 34.95 29.74 1r7a s ARG 190 CO 0.06 -0.29 1.13 -0.51 -0.81 0.00 0.00 175.30 174.89 1r7a s LEU 191 N 1.67 4.10 0.21 -0.88 1.43 0.81 -0.82 118.68 125.20 1r7a s LEU 191 Ca 0.06 -1.11 -0.30 0.00 -1.03 0.00 0.00 54.13 51.74 1r7a s LEU 191 Cb -0.16 -2.47 -0.10 0.00 0.03 0.00 0.00 46.19 43.49 1r7a s LEU 191 CO 0.07 -1.48 1.45 -0.62 0.23 0.00 0.00 176.35 176.01 1r7a s ASP 192 N 3.86 6.67 -0.84 2.29 2.15 -1.03 -2.45 116.67 127.32 1r7a s ASP 192 Ca 0.30 2.60 -0.09 0.00 0.43 0.00 0.00 52.55 55.79 1r7a s ASP 192 Cb -0.10 -2.61 0.09 0.00 -0.30 0.00 0.00 42.92 39.99 1r7a s ASP 192 CO 0.05 -0.71 0.26 0.00 -0.17 0.00 0.00 175.17 174.60 1r7a n ALA 193 N 2.90 -1.06 0.28 3.66 0.00 -1.26 -4.24 120.51 120.78 1r7a n ALA 193 Ca 0.09 -0.05 0.14 0.00 0.00 0.00 0.00 53.44 53.62 1r7a n ALA 193 Cb 0.40 -1.53 0.85 0.00 0.00 0.00 0.00 19.45 19.18 1r7a n ALA 193 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 1r7a h VAL 194 N -0.42 0.63 0.00 0.00 3.04 -1.70 -1.45 116.25 116.35 1r7a h VAL 194 Ca -0.27 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.42 1r7a h VAL 194 Cb 1.18 0.99 0.00 0.00 -2.01 0.00 0.00 31.29 31.45 1r7a h VAL 194 CO 0.38 0.00 0.00 1.23 -1.01 0.00 0.00 177.57 178.17 1r7a h GLY 195 N 0.00 0.00 0.16 3.17 0.00 -1.87 -1.19 103.07 103.35 1r7a h GLY 195 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.34 1r7a h GLY 195 CO -0.00 0.00 -0.88 -1.72 0.00 0.00 0.00 176.54 173.94 1r7a n TYR 196 N -2.98 0.00 0.33 5.60 4.01 -0.55 -1.60 117.16 121.97 1r7a n TYR 196 Ca -0.03 0.00 0.18 0.00 -0.16 0.00 0.00 57.90 57.90 1r7a n TYR 196 Cb 0.08 -0.05 0.98 0.00 -0.31 0.00 0.00 39.34 40.04 1r7a n TYR 196 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1r7a h GLY 197 N 4.99 0.00 -5.57 2.72 0.00 -1.27 -3.42 103.07 100.53 1r7a h GLY 197 Ca 0.00 0.00 -0.66 0.00 0.00 0.00 0.00 47.33 46.67 1r7a h GLY 197 CO 0.00 0.00 -0.80 0.00 0.00 0.00 0.00 176.54 175.74 1r7a s ALA 198 N -4.09 2.47 -0.02 3.60 0.00 -1.26 -4.44 121.76 118.02 1r7a s ALA 198 Ca -0.04 -0.93 0.07 0.00 0.00 0.00 0.00 51.96 51.06 1r7a s ALA 198 Cb 0.10 -1.09 -0.02 0.00 0.00 0.00 0.00 23.12 22.11 1r7a s ALA 198 CO 0.33 0.23 -0.22 0.15 0.00 0.00 0.00 175.76 176.25 1r7a s LYS 199 N 0.40 2.21 -0.24 0.00 3.01 -1.26 -4.51 119.74 119.34 1r7a s LYS 199 Ca -0.13 -0.87 -0.11 0.00 -1.01 0.00 0.00 55.97 53.85 1r7a s LYS 199 Cb -0.16 -2.16 0.09 0.00 -1.01 0.00 0.00 37.83 34.58 1r7a s LYS 199 CO 0.06 0.58 0.56 -2.00 0.51 0.00 0.00 175.35 175.06 1r7a s GLU 200 N -0.77 0.53 0.25 1.68 2.56 -1.26 -5.05 118.70 116.64 1r7a s GLU 200 Ca 0.11 1.14 -0.31 0.00 0.00 0.00 0.00 54.97 55.91 1r7a s GLU 200 Cb -0.10 0.30 -0.13 0.00 2.00 0.00 0.00 34.13 36.19 1r7a s GLU 200 CO 0.00 -0.18 1.41 0.00 -0.56 0.00 0.00 175.26 175.93 1r7a n ALA 201 N 4.75 1.18 -0.25 6.30 0.00 -1.26 -1.81 120.51 129.42 1r7a n ALA 201 Ca -0.17 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.68 1r7a n ALA 201 Cb 0.54 -2.28 0.00 0.00 0.00 0.00 0.00 19.45 17.71 1r7a n ALA 201 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1r7a n GLY 202 N 2.07 1.06 3.71 0.00 0.00 -1.26 -5.05 105.19 105.72 1r7a n GLY 202 Ca 0.11 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.87 1r7a n GLY 202 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1r7a s THR 203 N -2.72 2.09 -0.42 2.61 -4.23 -0.75 -5.02 115.64 107.20 1r7a s THR 203 Ca 0.00 -1.81 0.26 0.00 -1.18 0.00 0.00 61.69 58.97 1r7a s THR 203 Cb 0.00 -2.90 0.30 0.00 1.34 0.00 0.00 72.50 71.25 1r7a s THR 203 CO 0.00 0.00 1.77 0.77 -0.54 0.00 0.00 174.62 176.62 1r7a h SER 204 N 1.50 0.00 -1.29 3.99 4.64 -1.85 -3.39 113.55 117.14 1r7a h SER 204 Ca -0.43 0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 60.54 1r7a h SER 204 Cb 1.26 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 63.24 1r7a h SER 204 CO 0.73 0.00 -0.35 0.00 -0.87 0.00 0.00 176.83 176.34 1r7a s PHE 206 N -2.70 -0.13 -1.34 0.00 5.36 -1.26 -4.53 117.98 113.39 1r7a s PHE 206 Ca 0.00 0.45 -0.03 0.00 -0.96 0.00 0.00 56.93 56.38 1r7a s PHE 206 Cb 0.00 -0.34 -0.00 0.00 -0.34 0.00 0.00 43.02 42.34 1r7a s PHE 206 CO 0.00 -0.32 0.53 -1.33 -1.46 0.00 0.00 175.22 172.64 1r7a n MET 207 N 5.32 -3.28 -3.41 10.12 2.81 -0.63 -4.99 117.12 123.06 1r7a n MET 207 Ca -0.05 0.45 -0.21 0.00 -1.81 0.00 0.00 57.70 56.08 1r7a n MET 207 Cb 0.50 -4.58 0.01 0.00 -0.71 0.00 0.00 33.22 28.43 1r7a n MET 207 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 1r7a s THR 208 N -3.83 2.27 0.41 2.03 -4.23 -1.26 -4.93 115.64 106.09 1r7a s THR 208 Ca 0.08 -1.23 0.11 0.00 -1.18 0.00 0.00 61.69 59.47 1r7a s THR 208 Cb -0.03 -2.50 0.32 0.00 1.34 0.00 0.00 72.50 71.64 1r7a s THR 208 CO 0.87 0.00 1.95 -0.65 -0.54 0.00 0.00 174.62 176.25 1r7a h PRO 209 N 0.64 0.52 -0.34 3.99 0.11 -2.00 0.23 132.00 135.15 1r7a h PRO 209 Ca -0.36 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 65.65 1r7a h PRO 209 Cb 1.29 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 32.26 1r7a h PRO 209 CO 0.50 0.34 -0.08 -0.22 -0.21 0.00 0.00 178.00 178.33 1r7a h LYS 210 N 0.53 0.57 -0.58 1.05 3.64 -1.96 -1.77 116.57 118.04 1r7a h LYS 210 Ca 0.32 -0.16 -0.08 0.00 -1.27 0.00 0.00 60.65 59.46 1r7a h LYS 210 Cb 0.52 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.26 1r7a h LYS 210 CO -0.10 0.65 0.06 1.15 -2.27 0.00 0.00 179.45 178.94 1r7a h THR 211 N 0.53 1.26 -0.85 1.00 2.02 -0.93 -2.49 112.91 113.45 1r7a h THR 211 Ca 0.10 -1.05 0.00 0.00 0.77 0.00 0.00 66.41 66.23 1r7a h THR 211 Cb 0.47 0.79 -0.04 0.00 -1.74 0.00 0.00 68.15 67.63 1r7a h THR 211 CO 0.03 0.38 0.53 -0.26 0.37 0.00 0.00 175.52 176.57 1r7a h PHE 212 N 0.89 1.09 -0.51 3.16 0.04 -0.46 -0.40 116.94 120.74 1r7a h PHE 212 Ca 0.17 0.01 -0.00 0.00 2.80 0.00 0.00 57.97 60.95 1r7a h PHE 212 Cb 0.47 -0.36 -0.02 0.00 2.20 0.00 0.00 35.95 38.23 1r7a h PHE 212 CO 0.03 0.71 0.31 -0.22 -0.60 0.00 0.00 178.31 178.55 1r7a h LYS 213 N 1.16 0.69 -0.31 1.51 3.64 -1.04 0.83 116.57 123.05 1r7a h LYS 213 Ca 0.31 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.61 1r7a h LYS 213 Cb -0.09 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.57 1r7a h LYS 213 CO -0.06 0.49 0.10 1.25 -2.27 0.00 0.00 179.45 178.96 1r7a h LEU 214 N 0.68 0.44 -0.43 5.20 5.85 -0.95 -0.63 115.31 125.48 1r7a h LEU 214 Ca 0.18 -0.19 0.02 0.00 0.84 0.00 0.00 57.88 58.73 1r7a h LEU 214 Cb -0.03 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 40.86 1r7a h LEU 214 CO -0.04 0.52 0.24 0.40 -0.34 0.00 0.00 178.44 179.22 1r7a h ILE 215 N 0.34 1.03 -0.76 4.05 2.04 -0.79 0.35 117.51 123.77 1r7a h ILE 215 Ca 0.10 -0.17 -0.03 0.00 1.00 0.00 0.00 64.86 65.76 1r7a h ILE 215 Cb 0.23 0.49 -0.04 0.00 -0.74 0.00 0.00 36.82 36.77 1r7a h ILE 215 CO -0.00 0.09 0.34 0.28 0.00 0.00 0.00 178.15 178.86 1r7a h SER 216 N 0.49 1.01 -0.46 1.72 0.02 -0.64 0.29 113.55 115.99 1r7a h SER 216 Ca 0.17 -0.13 -0.13 0.00 -0.84 0.00 0.00 61.79 60.86 1r7a h SER 216 Cb 0.03 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.30 1r7a h SER 216 CO -0.09 0.87 -0.23 -0.09 -1.14 0.00 0.00 176.83 176.15 1r7a h ARG 217 N 1.09 0.97 -0.48 3.45 2.43 -0.56 -2.02 114.38 119.27 1r7a h ARG 217 Ca 0.26 -0.42 -0.12 0.00 -0.81 0.00 0.00 59.98 58.90 1r7a h ARG 217 Cb 0.15 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.65 1r7a h ARG 217 CO -0.03 1.09 -0.16 -0.07 -1.51 0.00 0.00 179.97 179.29 1r7a h LEU 218 N 0.84 0.93 -0.86 3.80 3.38 -0.55 -2.34 115.31 120.51 1r7a h LEU 218 Ca 0.11 -0.32 0.01 0.00 0.09 0.00 0.00 57.88 57.76 1r7a h LEU 218 Cb 0.80 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 41.26 1r7a h LEU 218 CO 0.07 1.07 0.56 -0.09 0.09 0.00 0.00 178.44 180.14 1r7a h ARG 219 N 0.81 1.14 -0.55 1.13 2.43 -0.76 -0.72 114.38 117.86 1r7a h ARG 219 Ca 0.12 -0.08 -0.00 0.00 -0.81 0.00 0.00 59.98 59.21 1r7a h ARG 219 Cb 0.70 -0.25 -0.03 0.00 -0.42 0.00 0.00 29.97 29.97 1r7a h ARG 219 CO 0.05 0.77 0.32 0.93 -1.51 0.00 0.00 179.97 180.53 1r7a h GLU 220 N 1.17 0.74 -0.19 0.20 5.08 -1.08 0.70 114.58 121.20 1r7a h GLU 220 Ca 0.31 -0.07 -0.05 0.00 -1.00 0.00 0.00 59.36 58.56 1r7a h GLU 220 Cb -0.12 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 28.97 1r7a h GLU 220 CO -0.07 0.55 -0.09 0.93 -1.00 0.00 0.00 179.01 179.33 1r7a h GLU 221 N 0.73 0.29 -0.07 2.33 4.39 -0.88 -0.72 114.58 120.65 1r7a h GLU 221 Ca 0.19 -0.06 -0.03 0.00 0.34 0.00 0.00 59.36 59.81 1r7a h GLU 221 Cb -0.00 -0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 28.60 1r7a h GLU 221 CO -0.04 0.40 -0.06 0.78 -1.16 0.00 0.00 179.01 178.93 1r7a h GLY 222 N 0.73 0.17 0.52 -3.84 0.00 -0.32 -3.06 103.07 97.28 1r7a h GLY 222 Ca 0.06 -0.17 0.06 0.00 0.00 0.00 0.00 47.33 47.28 1r7a h GLY 222 CO 0.02 0.15 0.10 -2.08 0.00 0.00 0.00 176.54 174.73 1r7a h VAL 223 N -0.27 0.81 -0.30 4.60 2.07 -0.50 0.66 116.25 123.31 1r7a h VAL 223 Ca 0.01 -0.08 0.09 0.00 0.82 0.00 0.00 66.70 67.54 1r7a h VAL 223 Cb 0.55 0.55 -0.01 0.00 -1.52 0.00 0.00 31.29 30.86 1r7a h VAL 223 CO 0.01 0.04 0.27 0.50 0.02 0.00 0.00 177.57 178.41 1r7a h LYS 224 N 0.24 0.00 -0.35 1.57 3.64 -1.16 -1.05 116.57 119.45 1r7a h LYS 224 Ca 0.20 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.58 1r7a h LYS 224 Cb 0.23 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.05 1r7a h LYS 224 CO -0.25 0.00 0.00 0.54 -2.27 0.00 0.00 179.45 177.47 1r7a n ARG 225 N -4.08 2.30 -1.29 1.90 1.74 -0.45 -4.96 116.66 111.83 1r7a n ARG 225 Ca 0.04 -2.11 -0.06 0.00 -0.77 0.00 0.00 57.85 54.95 1r7a n ARG 225 Cb 0.43 -1.43 -0.02 0.00 -1.02 0.00 0.00 32.46 30.41 1r7a n ARG 225 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1r7a n GLY 226 N 1.20 0.77 3.64 -0.13 0.00 -0.40 -4.93 105.19 105.35 1r7a n GLY 226 Ca 0.16 -0.76 -0.35 0.00 0.00 0.00 0.00 46.02 45.08 1r7a n GLY 226 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1r7a s LEU 227 N -1.45 3.58 0.13 0.99 1.43 0.10 -4.99 118.68 118.47 1r7a s LEU 227 Ca 0.00 0.09 -0.09 0.00 -1.03 0.00 0.00 54.13 53.10 1r7a s LEU 227 Cb 0.00 -1.85 -0.06 0.00 0.03 0.00 0.00 46.19 44.31 1r7a s LEU 227 CO 0.00 0.30 0.44 -1.61 0.23 0.00 0.00 176.35 175.71 1r7a s GLU 228 N -0.41 3.75 -0.01 1.70 2.02 -1.21 -3.61 118.70 120.94 1r7a s GLU 228 Ca 0.08 0.16 0.06 0.00 0.02 0.00 0.00 54.97 55.28 1r7a s GLU 228 Cb -0.12 -2.88 -0.03 0.00 0.10 0.00 0.00 34.13 31.20 1r7a s GLU 228 CO 0.02 0.48 -0.18 0.96 0.02 0.00 0.00 175.26 176.56 1r7a s ILE 229 N -1.56 2.78 -0.11 -1.63 -4.36 -1.26 -0.91 121.20 114.16 1r7a s ILE 229 Ca 0.38 -0.96 0.03 0.00 -0.26 0.00 0.00 60.65 59.85 1r7a s ILE 229 Cb -0.13 -2.10 0.00 0.00 1.25 0.00 0.00 42.46 41.48 1r7a s ILE 229 CO 0.20 0.50 -0.23 -0.22 0.24 0.00 0.00 174.94 175.43 1r7a s LEU 230 N -0.97 2.15 -0.06 0.37 2.96 0.43 -2.58 118.68 120.98 1r7a s LEU 230 Ca 0.12 -0.55 -0.02 0.00 -0.22 0.00 0.00 54.13 53.47 1r7a s LEU 230 Cb -0.10 -1.43 -0.04 0.00 0.50 0.00 0.00 46.19 45.12 1r7a s LEU 230 CO 0.02 0.15 0.03 0.27 -1.32 0.00 0.00 176.35 175.50 1r7a s ILE 231 N 0.42 4.49 -0.31 6.68 -4.36 -0.99 -0.14 121.20 127.00 1r7a s ILE 231 Ca -0.16 -0.28 -0.14 0.00 -0.26 0.00 0.00 60.65 59.80 1r7a s ILE 231 Cb -0.17 -2.95 -0.03 0.00 1.25 0.00 0.00 42.46 40.56 1r7a s ILE 231 CO 0.07 0.53 0.33 -0.70 0.24 0.00 0.00 174.94 175.40 1r7a s GLU 232 N -1.16 3.77 -0.14 0.37 2.12 -1.03 -3.91 118.70 118.73 1r7a s GLU 232 Ca 0.16 -0.27 -0.04 0.00 0.36 0.00 0.00 54.97 55.18 1r7a s GLU 232 Cb -0.12 -3.73 0.06 0.00 0.26 0.00 0.00 34.13 30.60 1r7a s GLU 232 CO 0.06 -0.38 0.12 0.08 -0.54 0.00 0.00 175.26 174.60 1r7a s VAL 233 N 1.97 -0.17 -0.39 3.70 1.01 -1.26 -4.06 120.40 121.20 1r7a s VAL 233 Ca 0.12 0.04 -0.13 0.00 0.00 0.00 0.00 61.98 62.01 1r7a s VAL 233 Cb -0.16 -0.47 0.03 0.00 0.00 0.00 0.00 36.38 35.78 1r7a s VAL 233 CO 0.11 -0.11 0.25 -1.00 0.00 0.00 0.00 175.10 174.35 1r7a s HIS 234 N 2.21 3.25 0.26 5.22 3.76 -1.26 -4.94 115.29 123.78 1r7a s HIS 234 Ca 0.04 -0.84 -0.10 0.00 -0.15 0.00 0.00 55.06 54.01 1r7a s HIS 234 Cb -0.15 -2.52 0.04 0.00 1.11 0.00 0.00 32.58 31.07 1r7a s HIS 234 CO -0.08 -0.64 0.52 -1.13 -0.85 0.00 0.00 174.74 172.57 1r7a n SER 235 N 5.06 -1.51 -4.73 1.40 3.41 -1.26 -5.02 113.62 110.97 1r7a n SER 235 Ca -0.11 -2.05 -0.42 0.00 -0.26 0.00 0.00 58.87 56.02 1r7a n SER 235 Cb 0.46 2.52 -0.01 0.00 -0.26 0.00 0.00 64.21 66.92 1r7a n SER 235 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1r7a n TYR 236 N -0.35 2.64 -0.23 7.33 9.36 -1.26 -4.08 117.16 130.58 1r7a n TYR 236 Ca -0.06 0.40 0.20 0.00 3.32 0.00 0.00 57.90 61.76 1r7a n TYR 236 Cb 0.39 -2.52 0.53 0.00 -0.63 0.00 0.00 39.34 37.12 1r7a n TYR 236 CO 0.00 0.00 0.00 0.10 0.22 0.00 0.00 176.86 177.18 1r7a h TYR 237 N 3.76 0.48 0.00 2.98 -0.00 -1.79 -1.57 116.97 120.82 1r7a h TYR 237 Ca -0.47 0.01 -0.03 0.00 0.00 0.00 0.00 58.73 58.24 1r7a h TYR 237 Cb 1.25 -0.15 -0.00 0.00 0.00 0.00 0.00 36.73 37.83 1r7a h TYR 237 CO 0.55 0.13 -0.15 0.87 -0.00 0.00 0.00 178.16 179.56 1r7a h LYS 238 N 0.36 0.00 -0.33 0.10 1.57 -1.93 -1.74 116.57 114.61 1r7a h LYS 238 Ca 0.46 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 59.12 1r7a h LYS 238 Cb 1.20 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.50 1r7a h LYS 238 CO -0.16 0.15 -0.27 0.87 -0.57 0.00 0.00 179.45 179.48 1r7a h LYS 239 N 0.00 0.66 -0.35 3.15 1.57 -1.64 -0.93 116.57 119.04 1r7a h LYS 239 Ca -0.00 -0.28 -0.10 0.00 -1.87 0.00 0.00 60.65 58.40 1r7a h LYS 239 Cb 0.30 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.58 1r7a h LYS 239 CO 0.02 0.86 -0.18 1.96 -0.57 0.00 0.00 179.45 181.54 1r7a h GLN 240 N 0.57 0.75 -0.50 3.15 1.08 -1.43 -1.85 115.11 116.87 1r7a h GLN 240 Ca 0.07 -0.33 -0.01 0.00 -1.45 0.00 0.00 58.65 56.93 1r7a h GLN 240 Cb 0.75 -0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 28.14 1r7a h GLN 240 CO 0.06 0.95 0.27 0.28 -0.95 0.00 0.00 178.83 179.43 1r7a h VAL 241 N 0.53 1.18 -0.34 -0.54 2.07 -1.11 -2.50 116.25 115.55 1r7a h VAL 241 Ca 0.08 -0.47 -0.13 0.00 0.82 0.00 0.00 66.70 67.00 1r7a h VAL 241 Cb 0.73 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 31.07 1r7a h VAL 241 CO 0.05 0.19 -0.29 -0.08 0.02 0.00 0.00 177.57 177.47 1r7a h GLU 242 N 0.67 0.79 0.00 1.57 4.81 -1.11 -3.18 114.58 118.13 1r7a h GLU 242 Ca 0.18 -0.40 -0.04 0.00 -0.13 0.00 0.00 59.36 58.96 1r7a h GLU 242 Cb 0.07 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.45 1r7a h GLU 242 CO -0.03 1.03 -0.21 0.97 -0.73 0.00 0.00 179.01 180.04 1r7a h ILE 243 N 0.57 0.51 -0.77 2.32 6.09 -1.32 -3.26 117.51 121.65 1r7a h ILE 243 Ca 0.06 -1.09 0.16 0.00 -1.37 0.00 0.00 64.86 62.62 1r7a h ILE 243 Cb 0.86 1.76 -0.05 0.00 0.47 0.00 0.00 36.82 39.86 1r7a h ILE 243 CO 0.07 0.21 0.52 0.00 -3.07 0.00 0.00 178.15 175.88 1r7a h ALA 244 N 1.79 2.16 0.00 0.18 0.00 -1.42 -0.22 119.26 121.76 1r7a h ALA 244 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1r7a h ALA 244 Cb 0.74 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1r7a h ALA 244 CO 0.03 -0.38 0.00 -1.13 0.00 0.00 0.00 179.25 177.77 1r7a n SER 245 N -4.47 0.00 -0.67 0.00 3.41 -1.23 -2.93 113.62 107.72 1r7a n SER 245 Ca 0.15 0.47 0.08 0.00 -0.26 0.00 0.00 58.87 59.31 1r7a n SER 245 Cb 0.57 -0.48 0.08 0.00 -0.26 0.00 0.00 64.21 64.12 1r7a n SER 245 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1r7a n LYS 246 N -1.48 1.39 -4.24 4.33 5.02 -0.10 -5.01 118.16 118.07 1r7a n LYS 246 Ca 0.05 -1.54 -0.13 0.00 -2.02 0.00 0.00 58.31 54.66 1r7a n LYS 246 Cb 0.20 -1.32 -0.10 0.00 -0.02 0.00 0.00 35.03 33.79 1r7a n LYS 246 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 1r7a s VAL 247 N -1.33 0.59 0.06 -0.18 -7.23 -1.15 -4.87 120.40 106.30 1r7a s VAL 247 Ca 0.20 -1.97 -0.22 0.00 -1.81 0.00 0.00 61.98 58.17 1r7a s VAL 247 Cb 0.14 -2.16 -0.14 0.00 0.56 0.00 0.00 36.38 34.78 1r7a s VAL 247 CO 0.21 -0.42 1.55 0.44 -0.31 0.00 0.00 175.10 176.56 1r7a h ASP 248 N 2.68 0.13 -5.01 4.85 3.32 -1.85 -3.46 116.42 117.09 1r7a h ASP 248 Ca -0.37 -0.23 -0.13 0.00 0.02 0.00 0.00 57.03 56.32 1r7a h ASP 248 Cb 1.21 -0.04 -0.20 0.00 0.22 0.00 0.00 39.33 40.53 1r7a h ASP 248 CO 0.62 0.32 -0.46 -0.13 -1.72 0.00 0.00 179.24 177.88 1r7a s ARG 249 N -5.30 0.55 0.19 3.56 1.81 -1.07 -4.75 118.95 113.94 1r7a s ARG 249 Ca -0.14 -0.47 0.05 0.00 -1.72 0.00 0.00 55.73 53.45 1r7a s ARG 249 Cb 0.05 0.23 -0.05 0.00 -0.45 0.00 0.00 34.95 34.73 1r7a s ARG 249 CO 0.69 -0.14 -0.09 0.14 -0.68 0.00 0.00 175.30 175.22 1r7a s VAL 250 N -1.75 1.33 0.41 3.52 -7.23 -0.96 -2.35 120.40 113.37 1r7a s VAL 250 Ca -0.12 -2.10 -0.14 0.00 -1.81 0.00 0.00 61.98 57.81 1r7a s VAL 250 Cb -0.05 -2.05 -0.08 0.00 0.56 0.00 0.00 36.38 34.75 1r7a s VAL 250 CO 0.00 -0.58 0.82 -0.31 -0.31 0.00 0.00 175.10 174.72 1r7a s TYR 251 N -3.22 3.42 -0.71 2.82 2.02 -1.25 -1.22 117.35 119.20 1r7a s TYR 251 Ca 0.22 1.23 -0.14 0.00 -0.37 0.00 0.00 57.07 58.01 1r7a s TYR 251 Cb 0.02 -2.58 0.18 0.00 -0.40 0.00 0.00 41.96 39.19 1r7a s TYR 251 CO 0.05 -0.11 0.65 0.34 -1.57 0.00 0.00 175.55 174.91 1r7a s ASP 252 N -2.81 6.49 0.00 2.29 -1.08 -0.58 -4.82 116.67 116.16 1r7a s ASP 252 Ca 0.55 -2.38 0.25 0.00 -0.52 0.00 0.00 52.55 50.45 1r7a s ASP 252 Cb -0.10 -2.19 0.49 0.00 -1.46 0.00 0.00 42.92 39.66 1r7a s ASP 252 CO 0.26 -0.66 1.40 0.49 0.52 0.00 0.00 175.17 177.18 1r7a n PHE 253 N 4.40 0.00 0.11 -5.34 3.72 -1.26 -4.12 117.46 114.97 1r7a n PHE 253 Ca 0.04 0.00 -0.18 0.00 -0.05 0.00 0.00 57.45 57.26 1r7a n PHE 253 Cb 0.44 -0.11 -0.14 0.00 -0.94 0.00 0.00 39.48 38.73 1r7a n PHE 253 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1r7a h ALA 254 N 3.56 0.06 -0.53 4.37 0.00 -1.88 -3.37 119.26 121.47 1r7a h ALA 254 Ca 0.00 -0.90 0.05 0.00 0.00 0.00 0.00 54.91 54.06 1r7a h ALA 254 Cb 0.55 0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.37 1r7a h ALA 254 CO 0.00 0.93 0.26 1.25 0.00 0.00 0.00 179.25 181.69 1r7a h LEU 255 N 0.09 0.35 -0.08 0.00 5.85 -1.91 -2.15 115.31 117.47 1r7a h LEU 255 Ca -0.17 0.04 0.03 0.00 0.84 0.00 0.00 57.88 58.62 1r7a h LEU 255 Cb 2.02 -0.03 -0.06 0.00 0.37 0.00 0.00 40.66 42.96 1r7a h LEU 255 CO 0.22 0.24 -0.48 -0.65 -0.34 0.00 0.00 178.44 177.43 1r7a h PRO 256 N 0.49 -0.55 0.00 5.25 0.11 -1.75 0.66 132.00 136.21 1r7a h PRO 256 Ca 0.24 0.04 -0.10 0.00 0.11 0.00 0.00 66.00 66.28 1r7a h PRO 256 Cb 0.17 0.13 -0.01 0.00 0.11 0.00 0.00 31.00 31.39 1r7a h PRO 256 CO -0.18 -0.37 -0.49 -1.00 -0.21 0.00 0.00 178.00 175.75 1r7a h PRO 257 N -0.57 0.00 -0.55 1.05 0.13 -1.77 -2.44 132.00 127.84 1r7a h PRO 257 Ca 0.05 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.13 1r7a h PRO 257 Cb 0.67 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.78 1r7a h PRO 257 CO -0.39 0.49 0.17 -0.07 -0.23 0.00 0.00 178.00 177.97 1r7a h LEU 258 N 0.00 0.77 -0.41 1.56 3.38 -0.75 -0.04 115.31 119.81 1r7a h LEU 258 Ca -0.00 -0.12 -0.18 0.00 0.09 0.00 0.00 57.88 57.66 1r7a h LEU 258 Cb 0.87 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.41 1r7a h LEU 258 CO 0.06 0.73 -0.76 -0.07 0.09 0.00 0.00 178.44 178.49 1r7a h LEU 259 N 0.81 0.37 -0.70 1.67 3.38 -0.68 0.17 115.31 120.33 1r7a h LEU 259 Ca 0.18 -0.25 -0.08 0.00 0.09 0.00 0.00 57.88 57.82 1r7a h LEU 259 Cb 0.24 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.85 1r7a h LEU 259 CO -0.01 1.00 0.13 -0.07 0.09 0.00 0.00 178.44 179.58 1r7a h LEU 260 N 0.20 1.08 0.06 1.67 3.38 -0.99 0.10 115.31 120.81 1r7a h LEU 260 Ca -0.03 -0.25 -0.00 0.00 0.09 0.00 0.00 57.88 57.68 1r7a h LEU 260 Cb 1.34 -0.29 0.00 0.00 0.09 0.00 0.00 40.66 41.80 1r7a h LEU 260 CO 0.12 1.06 -0.03 -0.74 0.09 0.00 0.00 178.44 178.94 1r7a h HIS 261 N 1.06 -0.07 -0.74 1.13 2.76 -0.81 -1.21 115.15 117.27 1r7a h HIS 261 Ca 0.21 -0.00 0.01 0.00 -2.20 0.00 0.00 60.37 58.39 1r7a h HIS 261 Cb 0.42 0.02 -0.04 0.00 1.55 0.00 0.00 27.41 29.37 1r7a h HIS 261 CO 0.03 0.04 0.49 0.00 -1.30 0.00 0.00 177.93 177.19 1r7a h ALA 262 N 0.77 0.94 0.00 5.26 0.00 -0.68 -0.53 119.26 125.02 1r7a h ALA 262 Ca -0.01 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.76 1r7a h ALA 262 Cb 0.14 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1r7a h ALA 262 CO 0.01 0.36 -0.41 -0.07 0.00 0.00 0.00 179.25 179.15 1r7a h LEU 263 N 1.00 0.00 0.00 0.00 3.38 -0.69 0.45 115.31 119.45 1r7a h LEU 263 Ca 0.27 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 58.06 1r7a h LEU 263 Cb -0.11 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.61 1r7a h LEU 263 CO -0.06 0.41 -1.47 -1.54 0.09 0.00 0.00 178.44 175.87 1r7a n SER 264 N -3.53 0.82 -0.01 -0.43 3.41 -0.47 -4.50 113.62 108.91 1r7a n SER 264 Ca -0.00 0.36 0.02 0.00 -0.26 0.00 0.00 58.87 58.99 1r7a n SER 264 Cb 0.53 0.21 -0.06 0.00 -0.26 0.00 0.00 64.21 64.64 1r7a n SER 264 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1r7a n THR 265 N -2.88 0.15 -0.20 6.66 -2.24 -0.23 -4.86 114.28 110.68 1r7a n THR 265 Ca -0.11 -0.22 0.00 0.00 -2.27 0.00 0.00 64.05 61.46 1r7a n THR 265 Cb 0.85 -0.01 0.00 0.00 -2.10 0.00 0.00 70.33 69.08 1r7a n THR 265 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1r7a n GLY 266 N 2.20 0.99 3.66 3.38 0.00 0.16 -4.98 105.19 110.60 1r7a n GLY 266 Ca -0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.55 1r7a n GLY 266 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1r7a s HIS 267 N -2.61 3.37 -0.98 1.61 3.76 -1.24 -4.48 115.29 114.71 1r7a s HIS 267 Ca 0.00 1.45 0.11 0.00 -0.15 0.00 0.00 55.06 56.46 1r7a s HIS 267 Cb 0.00 -3.23 -0.00 0.00 1.11 0.00 0.00 32.58 30.46 1r7a s HIS 267 CO 0.00 -0.42 0.66 1.33 -0.85 0.00 0.00 174.74 175.45 1r7a n VAL 268 N 5.18 0.00 -0.22 -0.90 0.24 -1.19 -4.01 118.33 117.42 1r7a n VAL 268 Ca 0.11 -0.39 -0.01 0.00 -2.04 0.00 0.00 64.34 62.01 1r7a n VAL 268 Cb 0.47 1.13 0.10 0.00 -1.47 0.00 0.00 33.84 34.06 1r7a n VAL 268 CO 0.00 0.00 0.00 -0.08 -2.14 0.00 0.00 176.83 174.61 1r7a h GLU 269 N 1.18 0.61 -0.56 7.34 4.22 -1.91 -1.21 114.58 124.25 1r7a h GLU 269 Ca 0.00 -0.04 0.04 0.00 0.08 0.00 0.00 59.36 59.45 1r7a h GLU 269 Cb 0.36 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.45 1r7a h GLU 269 CO 0.00 0.40 0.37 -1.35 -2.18 0.00 0.00 179.01 176.26 1r7a h PRO 270 N 0.63 0.58 -0.23 0.92 0.11 -1.90 -0.10 132.00 132.00 1r7a h PRO 270 Ca 0.30 -0.03 -0.15 0.00 0.11 0.00 0.00 66.00 66.22 1r7a h PRO 270 Cb 0.23 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 31.20 1r7a h PRO 270 CO -0.21 0.38 -0.48 0.28 -0.21 0.00 0.00 178.00 177.77 1r7a h VAL 271 N 0.60 1.30 -0.35 3.15 2.07 -1.56 -1.60 116.25 119.87 1r7a h VAL 271 Ca 0.23 -1.69 -0.05 0.00 0.82 0.00 0.00 66.70 66.01 1r7a h VAL 271 Cb 0.17 1.64 -0.01 0.00 -1.52 0.00 0.00 31.29 31.57 1r7a h VAL 271 CO -0.06 0.53 0.02 0.00 0.02 0.00 0.00 177.57 178.08 1r7a h ALA 272 N 0.97 0.47 -0.51 1.67 0.00 -0.28 -0.36 119.26 121.22 1r7a h ALA 272 Ca 0.03 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 1r7a h ALA 272 Cb 1.02 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 1r7a h ALA 272 CO 0.10 0.21 0.23 1.25 0.00 0.00 0.00 179.25 181.04 1r7a h HIS 273 N 0.42 0.74 -0.66 0.00 6.17 -0.99 -2.02 115.15 118.81 1r7a h HIS 273 Ca 0.10 -0.04 -0.04 0.00 0.71 0.00 0.00 60.37 61.10 1r7a h HIS 273 Cb 0.42 -0.23 -0.03 0.00 2.52 0.00 0.00 27.41 30.09 1r7a h HIS 273 CO 0.03 0.60 0.27 2.35 0.71 0.00 0.00 177.93 181.89 1r7a h TRP 274 N 0.68 1.00 -0.65 5.26 -0.00 -1.14 -1.58 115.95 119.53 1r7a h TRP 274 Ca 0.17 -0.07 0.08 0.00 -0.00 0.00 0.00 58.89 59.06 1r7a h TRP 274 Cb 0.14 -0.30 -0.04 0.00 -0.00 0.00 0.00 29.16 28.96 1r7a h TRP 274 CO -0.00 0.78 0.43 1.15 -0.00 0.00 0.00 178.44 180.80 1r7a h THR 275 N 0.93 0.97 -0.28 2.65 2.02 -0.73 0.30 112.91 118.78 1r7a h THR 275 Ca 0.22 -0.20 -0.16 0.00 0.77 0.00 0.00 66.41 67.04 1r7a h THR 275 Cb 0.20 0.33 -0.01 0.00 -1.74 0.00 0.00 68.15 66.93 1r7a h THR 275 CO -0.02 0.11 -0.46 0.44 0.37 0.00 0.00 175.52 175.96 1r7a h ASP 276 N 0.59 0.78 0.00 4.18 3.32 -0.57 -3.36 116.42 121.36 1r7a h ASP 276 Ca 0.29 -0.38 0.00 0.00 0.02 0.00 0.00 57.03 56.96 1r7a h ASP 276 Cb 0.36 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.69 1r7a h ASP 276 CO -0.09 1.12 -0.65 2.30 -1.72 0.00 0.00 179.24 180.20 1r7a n ILE 277 N -4.01 0.00 -1.69 0.35 -5.35 -0.88 -5.05 119.36 102.73 1r7a n ILE 277 Ca -0.03 -0.24 -0.35 0.00 -0.27 0.00 0.00 62.75 61.86 1r7a n ILE 277 Cb 0.57 0.90 0.07 0.00 -1.74 0.00 0.00 39.64 39.43 1r7a n ILE 277 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1r7a s ARG 278 N -2.14 2.52 0.13 6.28 1.70 0.10 -4.96 118.95 122.58 1r7a s ARG 278 Ca 0.03 1.82 -0.30 0.00 -0.47 0.00 0.00 55.73 56.81 1r7a s ARG 278 Cb 0.08 -1.87 -0.07 0.00 -0.57 0.00 0.00 34.95 32.52 1r7a s ARG 278 CO 0.45 -1.56 1.23 -2.14 -1.08 0.00 0.00 175.30 172.20 1r7a s PRO 279 N -3.63 4.45 0.00 3.89 0.02 -1.26 -4.92 135.00 133.55 1r7a s PRO 279 Ca 0.77 1.87 0.24 0.00 0.02 0.00 0.00 61.00 63.90 1r7a s PRO 279 Cb -0.31 -3.28 0.36 0.00 0.02 0.00 0.00 34.50 31.30 1r7a s PRO 279 CO 0.40 -0.20 1.31 0.09 -0.33 0.00 0.00 177.00 178.28 1r7a n ASN 280 N 3.19 1.30 -3.82 2.53 5.03 -1.26 -4.31 115.26 117.92 1r7a n ASN 280 Ca 0.07 -1.04 -0.42 0.00 0.87 0.00 0.00 54.58 54.06 1r7a n ASN 280 Cb 0.45 0.36 0.01 0.00 -1.02 0.00 0.00 39.78 39.57 1r7a n ASN 280 CO 0.00 0.00 0.00 -0.46 -1.83 0.00 0.00 177.26 174.97 1r7a n ASN 281 N -0.64 6.01 -4.57 6.41 6.94 -1.26 -3.97 115.26 124.19 1r7a n ASN 281 Ca 0.09 -3.22 -0.27 0.00 -0.02 0.00 0.00 54.58 51.17 1r7a n ASN 281 Cb 0.39 -1.39 -0.10 0.00 -2.36 0.00 0.00 39.78 36.31 1r7a n ASN 281 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1r7a s ALA 282 N -0.87 3.04 -0.20 -2.53 0.00 -1.26 -2.27 121.76 117.66 1r7a s ALA 282 Ca 0.40 -2.00 0.01 0.00 0.00 0.00 0.00 51.96 50.37 1r7a s ALA 282 Cb 0.11 0.31 0.03 0.00 0.00 0.00 0.00 23.12 23.57 1r7a s ALA 282 CO 0.01 -0.17 -0.17 0.08 0.00 0.00 0.00 175.76 175.50 1r7a s VAL 283 N -2.91 2.05 0.20 0.00 1.01 -0.36 -1.21 120.40 119.18 1r7a s VAL 283 Ca 0.32 -1.09 -0.09 0.00 0.00 0.00 0.00 61.98 61.12 1r7a s VAL 283 Cb 0.09 -1.93 -0.07 0.00 0.00 0.00 0.00 36.38 34.46 1r7a s VAL 283 CO 0.16 0.39 0.51 0.42 0.00 0.00 0.00 175.10 176.58 1r7a s THR 284 N 1.26 4.98 0.24 3.92 -4.23 0.26 -1.53 115.64 120.54 1r7a s THR 284 Ca 0.02 0.41 -0.12 0.00 -1.18 0.00 0.00 61.69 60.81 1r7a s THR 284 Cb -0.15 -3.63 -0.01 0.00 1.34 0.00 0.00 72.50 70.06 1r7a s THR 284 CO -0.11 -0.01 0.44 0.68 -0.54 0.00 0.00 174.62 175.08 1r7a s VAL 285 N -1.74 0.00 0.07 2.29 -7.23 -1.26 -0.72 120.40 111.81 1r7a s VAL 285 Ca 0.45 -1.43 0.00 0.00 -1.81 0.00 0.00 61.98 59.19 1r7a s VAL 285 Cb -0.12 -2.18 0.00 0.00 0.56 0.00 0.00 36.38 34.64 1r7a s VAL 285 CO 0.22 -0.02 0.00 0.18 -0.31 0.00 0.00 175.10 175.17 1r7a n LEU 286 N -0.36 0.51 -4.78 1.32 4.77 -1.26 -4.31 117.00 112.89 1r7a n LEU 286 Ca -0.02 0.11 -0.26 0.00 -0.03 0.00 0.00 56.01 55.80 1r7a n LEU 286 Cb 0.62 -0.13 -0.06 0.00 -2.33 0.00 0.00 43.42 41.53 1r7a n LEU 286 CO 0.23 -0.65 -0.23 1.51 -1.33 0.00 0.00 177.39 176.92 1r7a s ASP 287 N -5.41 5.44 0.11 -1.43 -4.77 -1.26 -4.73 116.67 104.62 1r7a s ASP 287 Ca 0.00 -0.16 0.01 0.00 -3.30 0.00 0.00 52.55 49.11 1r7a s ASP 287 Cb 0.00 -1.40 -0.00 0.00 -1.09 0.00 0.00 42.92 40.43 1r7a s ASP 287 CO 0.00 0.07 0.05 0.35 0.70 0.00 0.00 175.17 176.34 1r7a n THR 288 N -0.31 0.00 1.42 2.11 -2.24 -1.26 -4.15 114.28 109.85 1r7a n THR 288 Ca -0.08 -0.66 0.15 0.00 -2.27 0.00 0.00 64.05 61.18 1r7a n THR 288 Cb 0.55 0.25 0.73 0.00 -2.10 0.00 0.00 70.33 69.76 1r7a n THR 288 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1r7a n HIS 289 N -0.24 0.00 -3.30 4.78 1.44 -1.26 -4.81 115.22 111.82 1r7a n HIS 289 Ca -0.01 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.70 1r7a n HIS 289 Cb 0.17 -0.27 0.00 0.00 0.12 0.00 0.00 29.99 30.01 1r7a n HIS 289 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 1r7a n ASP 290 N -1.24 0.75 -4.84 4.39 8.00 -1.26 -4.94 116.55 117.41 1r7a n ASP 290 Ca 0.14 -0.93 -0.29 0.00 0.71 0.00 0.00 54.79 54.42 1r7a n ASP 290 Cb 0.25 0.00 0.10 0.00 -0.02 0.00 0.00 41.12 41.45 1r7a n ASP 290 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1r7a s GLY 291 N -1.56 1.59 -0.25 0.44 0.00 -1.26 -4.92 107.32 101.37 1r7a s GLY 291 Ca 0.00 -0.65 -0.29 0.00 0.00 0.00 0.00 44.72 43.78 1r7a s GLY 291 CO 0.00 -0.13 1.26 -0.42 0.00 0.00 0.00 173.10 173.81 1r7a s ILE 292 N -3.53 4.23 0.06 0.90 1.01 0.72 -4.74 121.20 119.86 1r7a s ILE 292 Ca 0.63 1.44 -0.30 0.00 0.00 0.00 0.00 60.65 62.41 1r7a s ILE 292 Cb -0.11 -4.12 -0.05 0.00 0.01 0.00 0.00 42.46 38.18 1r7a s ILE 292 CO 0.50 -0.35 1.10 -0.83 0.00 0.00 0.00 174.94 175.36 1r7a s GLY 293 N 2.38 2.67 -0.02 6.18 0.00 -1.26 -0.95 107.32 116.32 1r7a s GLY 293 Ca 0.55 0.73 0.04 0.00 0.00 0.00 0.00 44.72 46.04 1r7a s GLY 293 CO 0.19 1.83 0.06 3.33 0.00 0.00 0.00 173.10 178.51 1r7a n VAL 294 N 3.59 0.11 0.54 1.40 0.24 -1.26 -4.42 118.33 118.53 1r7a n VAL 294 Ca 0.07 -0.13 0.08 0.00 -2.04 0.00 0.00 64.34 62.32 1r7a n VAL 294 Cb 0.48 -0.10 0.35 0.00 -1.47 0.00 0.00 33.84 33.11 1r7a n VAL 294 CO 0.00 0.00 0.00 2.30 -2.14 0.00 0.00 176.83 176.99 1r7a n ILE 295 N -1.84 0.89 0.41 1.34 -6.64 -1.26 -1.97 119.36 110.28 1r7a n ILE 295 Ca -0.03 0.22 0.09 0.00 -1.77 0.00 0.00 62.75 61.26 1r7a n ILE 295 Cb 0.31 -0.96 0.40 0.00 -1.44 0.00 0.00 39.64 37.95 1r7a n ILE 295 CO 0.00 0.00 0.00 0.47 -1.77 0.00 0.00 176.55 175.25 1r7a n ASP 296 N -1.57 0.37 0.00 7.28 8.00 -1.26 -2.96 116.55 126.41 1r7a n ASP 296 Ca 0.04 0.60 0.00 0.00 0.71 0.00 0.00 54.79 56.13 1r7a n ASP 296 Cb 0.19 -0.67 0.00 0.00 -0.02 0.00 0.00 41.12 40.62 1r7a n ASP 296 CO 0.00 0.00 0.00 2.30 -0.39 0.00 0.00 177.20 179.11 1r7a n ILE 297 N -1.91 0.00 -1.92 0.53 -5.35 -0.83 -3.85 119.36 106.03 1r7a n ILE 297 Ca 0.02 -0.23 -0.13 0.00 -0.27 0.00 0.00 62.75 62.15 1r7a n ILE 297 Cb 0.19 1.17 0.08 0.00 -1.74 0.00 0.00 39.64 39.33 1r7a n ILE 297 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1r7a n GLY 298 N 0.31 -0.34 3.76 3.28 0.00 -0.95 -0.13 105.19 111.13 1r7a n GLY 298 Ca 0.00 -1.84 -0.33 0.00 0.00 0.00 0.00 46.02 43.86 1r7a n GLY 298 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1r7a s SER 299 N -3.17 4.81 0.33 1.61 0.01 -1.26 -3.83 113.70 112.18 1r7a s SER 299 Ca 0.34 2.02 -0.29 0.00 1.31 0.00 0.00 55.95 59.33 1r7a s SER 299 Cb -0.01 -2.55 -0.11 0.00 0.21 0.00 0.00 66.02 63.55 1r7a s SER 299 CO 0.24 -1.84 1.55 -0.67 0.41 0.00 0.00 173.24 172.93 1r7a n ASP 300 N -2.71 3.83 0.19 2.44 2.03 -0.39 -4.88 116.55 117.05 1r7a n ASP 300 Ca 0.11 1.18 0.05 0.00 0.52 0.00 0.00 54.79 56.65 1r7a n ASP 300 Cb 0.52 -1.60 0.33 0.00 -0.72 0.00 0.00 41.12 39.65 1r7a n ASP 300 CO 0.00 0.00 0.00 1.56 -1.92 0.00 0.00 177.20 176.84 1r7a h GLN 301 N 4.03 0.00 0.00 -0.67 4.20 -1.92 -3.03 115.11 117.72 1r7a h GLN 301 Ca -0.48 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.19 1r7a h GLN 301 Cb 1.23 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.01 1r7a h GLN 301 CO 0.73 0.38 -0.23 1.25 -0.67 0.00 0.00 178.83 180.29 1r7a h LEU 302 N 0.00 0.00 -7.55 1.46 5.85 -1.99 -3.42 115.31 109.65 1r7a h LEU 302 Ca -0.00 -0.78 -0.65 0.00 0.84 0.00 0.00 57.88 57.28 1r7a h LEU 302 Cb 0.90 0.00 -0.40 0.00 0.37 0.00 0.00 40.66 41.53 1r7a h LEU 302 CO 0.05 1.02 -0.68 -0.62 -0.34 0.00 0.00 178.44 177.87 1r7a s ASP 303 N -6.24 4.56 0.42 1.25 -1.08 -1.24 -4.97 116.67 109.37 1r7a s ASP 303 Ca -0.19 -2.50 0.28 0.00 -0.52 0.00 0.00 52.55 49.63 1r7a s ASP 303 Cb -0.01 -1.62 1.53 0.00 -1.46 0.00 0.00 42.92 41.36 1r7a s ASP 303 CO 0.59 -0.32 1.87 0.03 0.52 0.00 0.00 175.17 177.85 1r7a h ARG 304 N 7.16 0.00 0.00 4.34 2.47 -1.79 -1.00 114.38 125.55 1r7a h ARG 304 Ca -0.06 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.66 1r7a h ARG 304 Cb 0.97 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.29 1r7a h ARG 304 CO 0.59 0.00 0.00 -1.13 0.56 0.00 0.00 179.97 179.99 1r7a n SER 305 N -2.49 0.58 -4.47 7.04 3.41 -1.26 -4.20 113.62 112.23 1r7a n SER 305 Ca -0.02 0.63 -0.43 0.00 -0.26 0.00 0.00 58.87 58.79 1r7a n SER 305 Cb 0.05 -0.76 -0.03 0.00 -0.26 0.00 0.00 64.21 63.21 1r7a n SER 305 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1r7a s LEU 306 N -4.26 4.38 0.77 1.04 1.43 -0.38 -5.00 118.68 116.65 1r7a s LEU 306 Ca 0.06 -1.27 -0.12 0.00 -1.03 0.00 0.00 54.13 51.76 1r7a s LEU 306 Cb 0.10 -2.44 0.06 0.00 0.03 0.00 0.00 46.19 43.94 1r7a s LEU 306 CO 0.40 -1.38 1.12 -0.54 0.23 0.00 0.00 176.35 176.19 1r7a s LYS 307 N 3.92 2.10 0.00 1.70 -0.14 -1.26 -1.26 119.74 124.80 1r7a s LYS 307 Ca 0.28 1.39 0.00 0.00 -1.36 0.00 0.00 55.97 56.28 1r7a s LYS 307 Cb -0.11 -1.86 0.00 0.00 -1.68 0.00 0.00 37.83 34.17 1r7a s LYS 307 CO 0.03 -1.80 0.00 0.41 -0.76 0.00 0.00 175.35 173.24 1r7a n GLY 308 N -0.51 0.75 0.16 -3.33 0.00 -1.25 -4.71 105.19 96.29 1r7a n GLY 308 Ca 0.11 -1.95 0.13 0.00 0.00 0.00 0.00 46.02 44.31 1r7a n GLY 308 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1r7a h LEU 309 N 0.00 0.00 -7.86 0.99 3.38 -0.78 -3.44 115.31 107.60 1r7a h LEU 309 Ca 0.00 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.86 1r7a h LEU 309 Cb 0.00 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 40.59 1r7a h LEU 309 CO 0.00 0.00 -0.47 0.68 0.09 0.00 0.00 178.44 178.74 1r7a s VAL 310 N -3.34 0.14 0.68 1.22 -7.23 -1.25 -4.88 120.40 105.73 1r7a s VAL 310 Ca 0.05 -1.12 -0.17 0.00 -1.81 0.00 0.00 61.98 58.93 1r7a s VAL 310 Cb 0.10 -1.06 -0.01 0.00 0.56 0.00 0.00 36.38 35.97 1r7a s VAL 310 CO 0.46 -0.62 0.99 -2.65 -0.31 0.00 0.00 175.10 172.97 1r7a n PRO 311 N 0.50 0.68 -0.27 4.82 -0.02 -1.26 -4.79 135.00 134.66 1r7a n PRO 311 Ca -0.18 0.28 0.05 0.00 -2.02 0.00 0.00 63.50 61.63 1r7a n PRO 311 Cb 0.60 -2.23 0.27 0.00 -0.02 0.00 0.00 33.50 32.12 1r7a n PRO 311 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1r7a h ASP 312 N 0.03 0.84 -0.64 2.55 3.32 -1.97 -0.41 116.42 120.15 1r7a h ASP 312 Ca -0.48 0.00 0.01 0.00 0.02 0.00 0.00 57.03 56.59 1r7a h ASP 312 Cb 1.34 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 40.69 1r7a h ASP 312 CO 0.49 0.54 0.42 -0.08 -1.72 0.00 0.00 179.24 178.89 1r7a h GLU 313 N 0.95 0.82 -0.07 3.56 4.81 -1.99 -0.47 114.58 122.19 1r7a h GLU 313 Ca 0.37 -0.05 -0.14 0.00 -0.13 0.00 0.00 59.36 59.40 1r7a h GLU 313 Cb 0.21 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.39 1r7a h GLU 313 CO -0.13 0.54 -0.59 -0.44 -0.73 0.00 0.00 179.01 177.66 1r7a h ASP 314 N 0.84 0.26 -0.35 1.04 3.32 -1.43 -0.29 116.42 119.82 1r7a h ASP 314 Ca 0.24 -0.15 -0.11 0.00 0.02 0.00 0.00 57.03 57.03 1r7a h ASP 314 Cb -0.06 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.40 1r7a h ASP 314 CO -0.06 0.79 -0.21 0.58 -1.72 0.00 0.00 179.24 178.62 1r7a h VAL 315 N 0.17 1.29 -0.62 -1.35 2.07 -0.76 -0.08 116.25 116.97 1r7a h VAL 315 Ca -0.00 -1.35 -0.01 0.00 0.82 0.00 0.00 66.70 66.15 1r7a h VAL 315 Cb 1.08 1.41 -0.03 0.00 -1.52 0.00 0.00 31.29 32.23 1r7a h VAL 315 CO 0.09 0.44 0.34 0.44 0.02 0.00 0.00 177.57 178.90 1r7a h ASP 316 N 0.54 0.78 -0.60 0.57 3.32 -0.91 -1.51 116.42 118.60 1r7a h ASP 316 Ca 0.07 -0.10 -0.05 0.00 0.02 0.00 0.00 57.03 56.97 1r7a h ASP 316 Cb 0.77 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 40.09 1r7a h ASP 316 CO 0.06 0.66 0.19 0.78 -1.72 0.00 0.00 179.24 179.20 1r7a h ASN 317 N 0.85 0.91 -0.22 6.45 2.35 -0.88 -1.51 115.58 123.52 1r7a h ASN 317 Ca 0.22 -0.16 0.01 0.00 -0.55 0.00 0.00 56.30 55.82 1r7a h ASN 317 Cb 0.05 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.17 1r7a h ASN 317 CO -0.03 0.86 0.13 0.25 -1.65 0.00 0.00 177.43 176.98 1r7a h LEU 318 N 0.94 0.21 -0.26 1.61 5.85 -0.44 0.11 115.31 123.33 1r7a h LEU 318 Ca 0.21 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.92 1r7a h LEU 318 Cb 0.29 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.26 1r7a h LEU 318 CO -0.01 0.15 0.12 0.58 -0.34 0.00 0.00 178.44 178.95 1r7a h VAL 319 N 0.27 1.14 -0.46 1.05 2.07 -1.02 -1.81 116.25 117.48 1r7a h VAL 319 Ca 0.09 -0.41 -0.03 0.00 0.82 0.00 0.00 66.70 67.17 1r7a h VAL 319 Cb -0.00 0.94 -0.02 0.00 -1.52 0.00 0.00 31.29 30.69 1r7a h VAL 319 CO -0.04 0.14 0.16 0.78 0.02 0.00 0.00 177.57 178.63 1r7a h ASN 320 N 0.28 0.61 -0.16 0.57 2.35 -1.07 -2.03 115.58 116.12 1r7a h ASN 320 Ca 0.09 -0.08 -0.10 0.00 -0.55 0.00 0.00 56.30 55.66 1r7a h ASN 320 Cb 0.11 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.31 1r7a h ASN 320 CO -0.01 0.57 -0.21 0.74 -1.65 0.00 0.00 177.43 176.87 1r7a h THR 321 N 0.66 1.26 -0.19 2.81 2.02 -0.42 0.32 112.91 119.37 1r7a h THR 321 Ca 0.16 -1.25 -0.04 0.00 0.77 0.00 0.00 66.41 66.05 1r7a h THR 321 Cb 0.17 1.25 -0.01 0.00 -1.74 0.00 0.00 68.15 67.82 1r7a h THR 321 CO -0.01 0.41 -0.02 0.40 0.37 0.00 0.00 175.52 176.66 1r7a h ILE 322 N 0.53 1.27 -0.76 3.11 2.04 -0.77 0.70 117.51 123.65 1r7a h ILE 322 Ca 0.08 -0.95 -0.01 0.00 1.00 0.00 0.00 64.86 64.98 1r7a h ILE 322 Cb 0.66 1.51 -0.04 0.00 -0.74 0.00 0.00 36.82 38.22 1r7a h ILE 322 CO 0.05 0.29 0.44 0.45 0.00 0.00 0.00 178.15 179.38 1r7a h HIS 323 N 0.09 1.01 -0.15 1.37 3.86 -1.16 -1.68 115.15 118.48 1r7a h HIS 323 Ca 0.05 -0.01 -0.06 0.00 -1.16 0.00 0.00 60.37 59.20 1r7a h HIS 323 Cb 0.45 -0.33 -0.00 0.00 1.06 0.00 0.00 27.41 28.58 1r7a h HIS 323 CO 0.04 0.68 -0.13 0.00 0.86 0.00 0.00 177.93 179.39 1r7a h ALA 324 N 1.44 0.22 0.00 2.45 0.00 -0.77 -1.53 119.26 121.07 1r7a h ALA 324 Ca 0.27 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1r7a h ALA 324 Cb -0.01 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 1r7a h ALA 324 CO -0.05 0.08 -0.10 -0.91 0.00 0.00 0.00 179.25 178.27 1r7a h ASN 325 N -0.00 0.00 -0.66 0.00 2.35 -0.56 -1.11 115.58 115.60 1r7a h ASN 325 Ca 0.03 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.78 1r7a h ASN 325 Cb 0.64 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.01 1r7a h ASN 325 CO 0.03 0.10 0.00 0.35 -1.65 0.00 0.00 177.43 176.27 1r7a n THR 326 N -4.14 0.95 -4.07 2.81 -2.24 -0.66 -4.56 114.28 102.37 1r7a n THR 326 Ca -0.03 -0.90 -0.29 0.00 -2.27 0.00 0.00 64.05 60.57 1r7a n THR 326 Cb 0.18 0.41 -0.03 0.00 -2.10 0.00 0.00 70.33 68.79 1r7a n THR 326 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1r7a n HIS 327 N 1.40 -1.62 0.00 4.78 8.25 -0.42 -1.40 115.22 126.21 1r7a n HIS 327 Ca 0.22 0.74 0.00 0.00 -0.26 0.00 0.00 57.72 58.42 1r7a n HIS 327 Cb 0.58 -3.41 0.00 0.00 1.12 0.00 0.00 29.99 28.28 1r7a n HIS 327 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1r7a n GLY 328 N -1.91 1.63 0.09 -1.41 0.00 -0.60 -4.94 105.19 98.05 1r7a n GLY 328 Ca -0.21 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.68 1r7a n GLY 328 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1r7a h GLU 329 N 2.96 -0.14 0.00 1.61 5.08 -1.47 -1.83 114.58 120.79 1r7a h GLU 329 Ca 0.00 0.01 -0.07 0.00 -1.00 0.00 0.00 59.36 58.30 1r7a h GLU 329 Cb 0.00 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 1r7a h GLU 329 CO 0.00 -0.05 -0.34 0.66 -1.00 0.00 0.00 179.01 178.28 1r7a h SER 330 N -0.18 0.00 0.17 1.42 4.64 -1.79 -2.48 113.55 115.33 1r7a h SER 330 Ca -0.01 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.20 1r7a h SER 330 Cb 0.15 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.22 1r7a h SER 330 CO 0.02 0.34 -0.40 -0.61 -0.87 0.00 0.00 176.83 175.31 1r7a h GLN 331 N 0.00 0.30 0.00 4.77 5.75 -1.80 -0.52 115.11 123.62 1r7a h GLN 331 Ca -0.00 -0.14 -0.01 0.00 -0.15 0.00 0.00 58.65 58.35 1r7a h GLN 331 Cb 0.62 -0.00 -0.00 0.00 1.07 0.00 0.00 27.48 29.17 1r7a h GLN 331 CO 0.04 0.65 -0.04 0.00 -2.65 0.00 0.00 178.83 176.84 1r7a h ALA 332 N 1.34 0.99 0.00 3.38 0.00 -0.87 -3.23 119.26 120.87 1r7a h ALA 332 Ca 0.02 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1r7a h ALA 332 Cb 0.81 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1r7a h ALA 332 CO 0.06 0.05 -0.82 0.00 0.00 0.00 0.00 179.25 178.54 1r7a n ALA 333 N -2.11 3.71 -2.59 0.00 0.00 -1.02 -4.19 120.51 114.31 1r7a n ALA 333 Ca 0.02 -0.40 -0.34 0.00 0.00 0.00 0.00 53.44 52.71 1r7a n ALA 333 Cb 0.41 -0.53 -0.05 0.00 0.00 0.00 0.00 19.45 19.28 1r7a n ALA 333 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1r7a s THR 334 N -2.46 5.10 0.00 0.00 2.01 -0.23 -4.33 115.64 115.73 1r7a s THR 334 Ca 0.04 0.37 0.00 0.00 0.31 0.00 0.00 61.69 62.41 1r7a s THR 334 Cb 0.11 -3.64 0.00 0.00 0.01 0.00 0.00 72.50 68.98 1r7a s THR 334 CO 0.60 0.22 0.00 0.61 -0.69 0.00 0.00 174.62 175.36 1r7a n GLY 335 N 0.70 3.40 0.00 4.40 0.00 -1.25 -2.06 105.19 110.37 1r7a n GLY 335 Ca -0.06 -0.19 0.12 0.00 0.00 0.00 0.00 46.02 45.89 1r7a n GLY 335 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1r7a n ALA 336 N 10.97 2.42 0.21 4.61 0.00 -1.26 -3.29 120.51 134.16 1r7a n ALA 336 Ca 0.00 -0.15 0.08 0.00 0.00 0.00 0.00 53.44 53.36 1r7a n ALA 336 Cb 0.00 -1.40 0.42 0.00 0.00 0.00 0.00 19.45 18.47 1r7a n ALA 336 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1r7a h ALA 337 N 3.55 1.04 -2.89 0.00 0.00 -1.70 -3.46 119.26 115.79 1r7a h ALA 337 Ca 0.00 -0.27 -0.20 0.00 0.00 0.00 0.00 54.91 54.44 1r7a h ALA 337 Cb 0.00 -0.05 -0.08 0.00 0.00 0.00 0.00 17.79 17.66 1r7a h ALA 337 CO 0.00 0.37 -0.16 0.00 0.00 0.00 0.00 179.25 179.46 1r7a s ALA 338 N -3.69 0.43 -0.00 0.00 0.00 -1.21 -4.82 121.76 112.47 1r7a s ALA 338 Ca -0.00 -1.31 -0.30 0.00 0.00 0.00 0.00 51.96 50.34 1r7a s ALA 338 Cb 0.11 1.11 -0.06 0.00 0.00 0.00 0.00 23.12 24.27 1r7a s ALA 338 CO 0.66 -0.81 1.62 -1.12 0.00 0.00 0.00 175.76 176.11 1r7a s SER 339 N -3.17 6.67 0.05 0.00 0.01 -0.78 -4.77 113.70 111.72 1r7a s SER 339 Ca 0.28 2.31 -0.11 0.00 1.31 0.00 0.00 55.95 59.73 1r7a s SER 339 Cb -0.00 -2.55 0.01 0.00 0.21 0.00 0.00 66.02 63.69 1r7a s SER 339 CO 0.16 -0.88 0.25 0.20 0.41 0.00 0.00 173.24 173.38 1r7a s ASN 340 N 2.82 -0.02 -0.01 2.44 0.02 -1.26 -1.86 114.94 117.07 1r7a s ASN 340 Ca 0.72 -0.35 0.17 0.00 -1.02 0.00 0.00 52.86 52.39 1r7a s ASN 340 Cb -0.35 0.33 -0.21 0.00 0.02 0.00 0.00 41.25 41.04 1r7a s ASN 340 CO 0.30 -0.63 0.65 0.18 0.02 0.00 0.00 177.10 177.63 1r7a n LEU 341 N 0.46 0.63 -3.94 0.60 4.77 -1.26 -4.88 117.00 113.37 1r7a n LEU 341 Ca -0.18 -0.39 -0.24 0.00 -0.03 0.00 0.00 56.01 55.17 1r7a n LEU 341 Cb 0.60 0.00 -0.17 0.00 -2.33 0.00 0.00 43.42 41.52 1r7a n LEU 341 CO 0.21 0.16 -0.44 -0.62 -1.33 0.00 0.00 177.39 175.37 1r7a s ASP 342 N -2.95 1.76 0.29 -1.43 -1.08 -1.26 -4.42 116.67 107.57 1r7a s ASP 342 Ca 0.04 -0.25 0.14 0.00 -0.52 0.00 0.00 52.55 51.95 1r7a s ASP 342 Cb 0.13 -0.74 0.32 0.00 -1.46 0.00 0.00 42.92 41.17 1r7a s ASP 342 CO 0.71 -0.05 1.57 0.25 0.52 0.00 0.00 175.17 178.17 1r7a h LEU 343 N 7.54 0.00 0.00 -1.34 5.85 -1.50 -3.38 115.31 122.48 1r7a h LEU 343 Ca -0.31 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.41 1r7a h LEU 343 Cb 1.16 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.19 1r7a h LEU 343 CO 0.43 0.57 -1.75 -1.22 -0.34 0.00 0.00 178.44 176.13 1r7a n TYR 344 N -3.49 0.00 -1.97 1.25 4.01 -1.26 -3.95 117.16 111.75 1r7a n TYR 344 Ca 0.00 0.00 -0.40 0.00 -0.16 0.00 0.00 57.90 57.34 1r7a n TYR 344 Cb 0.66 -0.38 -0.00 0.00 -0.31 0.00 0.00 39.34 39.30 1r7a n TYR 344 CO 0.00 0.00 0.00 -0.65 -0.46 0.00 0.00 176.86 175.75 1r7a s GLN 345 N -3.28 4.06 -0.29 -0.72 -0.21 -1.26 -4.61 119.66 113.36 1r7a s GLN 345 Ca -0.05 2.32 -0.17 0.00 0.02 0.00 0.00 55.36 57.48 1r7a s GLN 345 Cb 0.13 -2.88 -0.03 0.00 1.00 0.00 0.00 33.01 31.24 1r7a s GLN 345 CO 0.81 -0.48 0.45 0.08 -2.12 0.00 0.00 175.29 174.03 1r7a s VAL 346 N -1.19 5.11 -0.55 1.09 1.01 -0.12 -4.47 120.40 121.27 1r7a s VAL 346 Ca 0.54 0.59 -0.25 0.00 0.00 0.00 0.00 61.98 62.87 1r7a s VAL 346 Cb -0.41 -3.80 0.04 0.00 0.00 0.00 0.00 36.38 32.20 1r7a s VAL 346 CO 0.55 0.04 0.99 0.20 0.00 0.00 0.00 175.10 176.88 1r7a s ASN 347 N 1.64 6.36 -0.15 3.32 0.01 -1.26 -0.20 114.94 124.66 1r7a s ASN 347 Ca 0.18 -0.25 -0.30 0.00 -0.71 0.00 0.00 52.86 51.78 1r7a s ASN 347 Cb -0.16 -2.46 0.12 0.00 0.41 0.00 0.00 41.25 39.16 1r7a s ASN 347 CO 0.10 -1.27 0.95 -0.55 -1.51 0.00 0.00 177.10 174.83 1r7a s SER 348 N 2.85 -0.42 0.63 -1.22 0.15 -1.26 -4.36 113.70 110.06 1r7a s SER 348 Ca 0.33 0.49 -0.15 0.00 0.70 0.00 0.00 55.95 57.31 1r7a s SER 348 Cb -0.11 0.38 -0.02 0.00 -1.71 0.00 0.00 66.02 64.56 1r7a s SER 348 CO 0.21 -0.37 1.09 0.42 1.20 0.00 0.00 173.24 175.79 1r7a s THR 349 N -1.02 3.41 0.20 6.45 -4.23 -1.26 -4.68 115.64 114.51 1r7a s THR 349 Ca -0.03 0.67 -0.08 0.00 -1.18 0.00 0.00 61.69 61.08 1r7a s THR 349 Cb -0.01 -3.20 0.12 0.00 1.34 0.00 0.00 72.50 70.75 1r7a s THR 349 CO 0.02 -0.39 1.72 0.22 -0.54 0.00 0.00 174.62 175.66 1r7a h TYR 350 N 0.23 1.20 -0.56 3.99 3.20 -1.95 -1.78 116.97 121.31 1r7a h TYR 350 Ca -0.47 -0.14 0.00 0.00 3.14 0.00 0.00 58.73 61.26 1r7a h TYR 350 Cb 1.24 -0.34 -0.03 0.00 1.54 0.00 0.00 36.73 39.14 1r7a h TYR 350 CO 0.56 0.96 0.35 -0.92 -1.64 0.00 0.00 178.16 177.47 1r7a h TYR 351 N 1.08 0.72 -0.20 -3.82 3.20 -1.92 -2.37 116.97 113.67 1r7a h TYR 351 Ca 0.23 0.01 -0.10 0.00 3.14 0.00 0.00 58.73 62.00 1r7a h TYR 351 Cb 0.36 -0.24 -0.01 0.00 1.54 0.00 0.00 36.73 38.38 1r7a h TYR 351 CO 0.03 0.48 -0.31 0.77 -1.64 0.00 0.00 178.16 177.49 1r7a h SER 352 N 0.75 0.40 0.13 -2.11 0.02 -1.70 -2.59 113.55 108.45 1r7a h SER 352 Ca 0.20 -0.14 -0.02 0.00 -0.84 0.00 0.00 61.79 60.99 1r7a h SER 352 Cb -0.05 -0.11 -0.00 0.00 0.14 0.00 0.00 62.40 62.38 1r7a h SER 352 CO -0.04 0.69 -0.10 0.00 -1.14 0.00 0.00 176.83 176.25 1r7a h ALA 353 N 1.34 1.70 -0.38 3.77 0.00 -0.82 -0.69 119.26 124.18 1r7a h ALA 353 Ca 0.04 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1r7a h ALA 353 Cb 0.72 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1r7a h ALA 353 CO 0.05 0.12 0.00 1.28 0.00 0.00 0.00 179.25 180.71 1r7a n LEU 354 N -4.23 2.22 0.00 0.00 4.77 -0.98 -4.69 117.00 114.09 1r7a n LEU 354 Ca -0.03 -1.11 0.00 0.00 -0.03 0.00 0.00 56.01 54.84 1r7a n LEU 354 Cb 0.18 -0.29 0.00 0.00 -2.33 0.00 0.00 43.42 40.97 1r7a n LEU 354 CO 0.34 0.51 0.00 0.61 -1.33 0.00 0.00 177.39 177.52 1r7a n GLY 355 N 1.04 0.54 0.00 -0.72 0.00 -0.26 -4.75 105.19 101.04 1r7a n GLY 355 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 1r7a n GLY 355 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1r7a n ASN 357 N 1.08 0.00 -0.21 1.61 2.85 -1.26 -4.88 115.26 114.45 1r7a n ASN 357 Ca 0.00 0.00 -0.04 0.00 -0.11 0.00 0.00 54.58 54.43 1r7a n ASN 357 Cb 0.00 0.00 0.06 0.00 1.24 0.00 0.00 39.78 41.08 1r7a n ASN 357 CO 0.00 0.00 0.00 0.44 -2.11 0.00 0.00 177.26 175.59 1r7a h ASP 358 N 0.00 0.60 -0.78 1.20 3.32 -1.90 -0.76 116.42 118.09 1r7a h ASP 358 Ca 0.00 0.01 -0.05 0.00 0.02 0.00 0.00 57.03 57.01 1r7a h ASP 358 Cb 0.00 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 39.39 1r7a h ASP 358 CO 0.00 0.41 0.31 1.56 -1.72 0.00 0.00 179.24 179.80 1r7a h GLN 359 N 0.72 1.17 -0.36 3.56 1.08 -1.91 -0.65 115.11 118.72 1r7a h GLN 359 Ca 0.25 -0.21 -0.06 0.00 -1.45 0.00 0.00 58.65 57.18 1r7a h GLN 359 Cb 0.04 -0.19 -0.01 0.00 -0.05 0.00 0.00 27.48 27.27 1r7a h GLN 359 CO -0.11 0.95 0.00 0.45 -0.95 0.00 0.00 178.83 179.17 1r7a h HIS 360 N 1.14 0.70 0.01 2.96 3.86 -1.82 -2.21 115.15 119.80 1r7a h HIS 360 Ca 0.26 -0.12 -0.00 0.00 -1.16 0.00 0.00 60.37 59.35 1r7a h HIS 360 Cb 0.22 -0.18 0.00 0.00 1.06 0.00 0.00 27.41 28.51 1r7a h HIS 360 CO 0.02 0.74 -0.01 -0.92 0.86 0.00 0.00 177.93 178.62 1r7a h TYR 361 N 0.46 -0.02 -0.10 2.45 3.20 -0.81 -0.52 116.97 121.62 1r7a h TYR 361 Ca 0.10 -0.00 -0.06 0.00 3.14 0.00 0.00 58.73 61.91 1r7a h TYR 361 Cb 0.46 0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.72 1r7a h TYR 361 CO 0.04 0.10 -0.20 0.97 -1.64 0.00 0.00 178.16 177.43 1r7a h ILE 362 N -0.13 1.20 -0.47 1.81 6.09 -1.17 -1.84 117.51 123.00 1r7a h ILE 362 Ca -0.00 -0.91 -0.11 0.00 -1.37 0.00 0.00 64.86 62.48 1r7a h ILE 362 Cb 0.13 1.35 -0.01 0.00 0.47 0.00 0.00 36.82 38.75 1r7a h ILE 362 CO 0.00 0.27 -0.12 0.00 -3.07 0.00 0.00 178.15 175.24 1r7a h ALA 363 N 1.64 0.65 -0.85 0.18 0.00 -1.10 -0.62 119.26 119.17 1r7a h ALA 363 Ca 0.03 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.56 1r7a h ALA 363 Cb 0.45 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.04 1r7a h ALA 363 CO 0.03 0.56 0.41 0.00 0.00 0.00 0.00 179.25 180.25 1r7a h ALA 364 N 0.88 1.09 -0.42 0.00 0.00 -0.58 -0.81 119.26 119.43 1r7a h ALA 364 Ca 0.12 -0.16 -0.11 0.00 0.00 0.00 0.00 54.91 54.75 1r7a h ALA 364 Cb 0.67 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1r7a h ALA 364 CO 0.05 0.66 -0.20 0.00 0.00 0.00 0.00 179.25 179.75 1r7a h ARG 365 N 1.21 0.82 -0.38 0.00 2.47 -1.12 -0.99 114.38 116.39 1r7a h ARG 365 Ca 0.29 -0.32 -0.02 0.00 -1.26 0.00 0.00 59.98 58.67 1r7a h ARG 365 Cb 0.12 -0.04 -0.02 0.00 -1.65 0.00 0.00 29.97 28.38 1r7a h ARG 365 CO -0.04 0.95 0.16 0.00 0.56 0.00 0.00 179.97 181.60 1r7a h ALA 366 N 1.05 0.50 -0.42 0.04 0.00 -0.52 -0.38 119.26 119.53 1r7a h ALA 366 Ca 0.10 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1r7a h ALA 366 Cb 0.72 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 1r7a h ALA 366 CO 0.06 0.09 0.21 0.28 0.00 0.00 0.00 179.25 179.89 1r7a h VAL 367 N 0.47 1.17 -0.41 0.00 2.07 -1.00 -0.62 116.25 117.94 1r7a h VAL 367 Ca 0.13 -0.48 0.07 0.00 0.82 0.00 0.00 66.70 67.24 1r7a h VAL 367 Cb 0.17 0.71 -0.07 0.00 -1.52 0.00 0.00 31.29 30.59 1r7a h VAL 367 CO -0.01 0.19 0.00 -0.61 0.02 0.00 0.00 177.57 177.16 1r7a h GLN 368 N 0.54 0.11 0.00 1.57 4.15 -0.87 -1.23 115.11 119.38 1r7a h GLN 368 Ca 0.15 -0.01 -0.03 0.00 0.77 0.00 0.00 58.65 59.53 1r7a h GLN 368 Cb 0.10 -0.02 -0.00 0.00 0.21 0.00 0.00 27.48 27.76 1r7a h GLN 368 CO -0.02 0.07 -0.15 0.74 -1.93 0.00 0.00 178.83 177.54 1r7a h PHE 369 N 0.11 0.00 0.00 3.99 0.04 -0.68 -3.05 116.94 117.35 1r7a h PHE 369 Ca 0.20 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.97 1r7a h PHE 369 Cb 0.29 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.44 1r7a h PHE 369 CO -0.27 0.15 -0.53 1.19 -0.60 0.00 0.00 178.31 178.26 1r7a n PHE 370 N -3.49 0.23 -3.17 -0.55 3.01 -0.27 -4.87 117.46 108.35 1r7a n PHE 370 Ca -0.01 0.07 -0.35 0.00 1.01 0.00 0.00 57.45 58.17 1r7a n PHE 370 Cb 0.32 -0.43 -0.06 0.00 -0.01 0.00 0.00 39.48 39.29 1r7a n PHE 370 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1r7a s LEU 371 N -3.51 4.27 0.26 4.37 1.43 -0.87 -4.91 118.68 119.72 1r7a s LEU 371 Ca 0.09 1.30 -0.30 0.00 -1.03 0.00 0.00 54.13 54.19 1r7a s LEU 371 Cb 0.16 -3.64 -0.13 0.00 0.03 0.00 0.00 46.19 42.60 1r7a s LEU 371 CO 0.70 -0.01 1.31 -2.65 0.23 0.00 0.00 176.35 175.93 1r7a n PRO 372 N 0.47 1.87 0.00 1.29 -0.02 -1.26 -4.84 135.00 132.50 1r7a n PRO 372 Ca -0.01 0.66 0.00 0.00 -2.02 0.00 0.00 63.50 62.13 1r7a n PRO 372 Cb 0.52 -2.25 0.00 0.00 -0.02 0.00 0.00 33.50 31.74 1r7a n PRO 372 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1r7a n GLY 373 N 1.75 3.88 3.66 -1.23 0.00 -1.25 -4.61 105.19 107.39 1r7a n GLY 373 Ca 0.10 -1.70 -0.41 0.00 0.00 0.00 0.00 46.02 44.01 1r7a n GLY 373 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1r7a s VAL 374 N -2.32 4.88 0.20 1.61 1.01 -0.35 -4.77 120.40 120.66 1r7a s VAL 374 Ca 0.00 1.58 -0.28 0.00 0.00 0.00 0.00 61.98 63.28 1r7a s VAL 374 Cb 0.00 -4.12 -0.08 0.00 0.00 0.00 0.00 36.38 32.18 1r7a s VAL 374 CO 0.00 0.01 0.87 -2.84 0.00 0.00 0.00 175.10 173.15 1r7a s PRO 375 N 2.27 4.72 -0.04 2.72 0.02 -1.26 -0.58 135.00 142.86 1r7a s PRO 375 Ca 0.37 1.35 0.05 0.00 0.02 0.00 0.00 61.00 62.78 1r7a s PRO 375 Cb -0.16 -3.28 -0.01 0.00 0.02 0.00 0.00 34.50 31.07 1r7a s PRO 375 CO 0.11 0.51 -0.19 -0.65 -0.33 0.00 0.00 177.00 176.45 1r7a s GLN 376 N -1.04 1.83 -0.15 5.54 -0.21 0.11 -0.77 119.66 124.96 1r7a s GLN 376 Ca 0.39 -0.68 0.02 0.00 0.02 0.00 0.00 55.36 55.11 1r7a s GLN 376 Cb -0.25 -1.63 0.01 0.00 1.00 0.00 0.00 33.01 32.14 1r7a s GLN 376 CO 0.29 0.32 -0.20 0.08 -2.12 0.00 0.00 175.29 173.66 1r7a s VAL 377 N -0.15 2.19 0.29 1.09 1.01 0.36 -4.40 120.40 120.79 1r7a s VAL 377 Ca -0.00 -0.92 -0.29 0.00 0.00 0.00 0.00 61.98 60.76 1r7a s VAL 377 Cb -0.11 -1.90 -0.10 0.00 0.00 0.00 0.00 36.38 34.28 1r7a s VAL 377 CO 0.01 0.54 1.19 -0.47 0.00 0.00 0.00 175.10 176.37 1r7a s TYR 378 N 0.94 3.37 0.40 5.22 5.04 -1.26 -0.77 117.35 130.29 1r7a s TYR 378 Ca -0.04 1.57 0.16 0.00 -2.44 0.00 0.00 57.07 56.32 1r7a s TYR 378 Cb -0.15 -3.44 1.04 0.00 0.35 0.00 0.00 41.96 39.76 1r7a s TYR 378 CO -0.04 -1.09 1.85 0.10 -1.34 0.00 0.00 175.55 175.03 1r7a h TYR 379 N 3.79 0.60 -0.55 4.97 -0.00 -1.04 0.14 116.97 124.89 1r7a h TYR 379 Ca -0.47 0.02 -0.07 0.00 0.00 0.00 0.00 58.73 58.21 1r7a h TYR 379 Cb 1.22 -0.18 -0.02 0.00 0.00 0.00 0.00 36.73 37.74 1r7a h TYR 379 CO 0.58 0.16 0.07 0.28 -0.00 0.00 0.00 178.16 179.25 1r7a h VAL 380 N 0.46 1.26 -0.08 -0.90 2.07 -1.90 -2.52 116.25 114.63 1r7a h VAL 380 Ca 0.48 -0.99 -0.12 0.00 0.82 0.00 0.00 66.70 66.89 1r7a h VAL 380 Cb 1.12 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 31.70 1r7a h VAL 380 CO -0.20 0.36 -0.48 1.23 0.02 0.00 0.00 177.57 178.50 1r7a h GLY 381 N 0.81 0.21 1.94 2.17 0.00 -1.23 0.17 103.07 107.15 1r7a h GLY 381 Ca 0.17 -0.22 0.01 0.00 0.00 0.00 0.00 47.33 47.28 1r7a h GLY 381 CO 0.01 0.20 0.02 0.00 0.00 0.00 0.00 176.54 176.77 1r7a h ALA 382 N 1.35 1.83 -0.30 3.60 0.00 -0.41 -0.36 119.26 124.96 1r7a h ALA 382 Ca 0.01 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 1r7a h ALA 382 Cb 0.91 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 1r7a h ALA 382 CO 0.07 -0.04 0.01 1.28 0.00 0.00 0.00 179.25 180.57 1r7a n LEU 383 N -4.23 4.06 -4.21 0.00 4.77 -0.94 -4.89 117.00 111.56 1r7a n LEU 383 Ca -0.02 -3.13 -0.38 0.00 -0.03 0.00 0.00 56.01 52.45 1r7a n LEU 383 Cb 0.11 -0.57 -0.05 0.00 -2.33 0.00 0.00 43.42 40.59 1r7a n LEU 383 CO 0.31 0.76 -0.34 0.00 -1.33 0.00 0.00 177.39 176.79 1r7a n ALA 384 N -0.57 -2.26 -1.79 -1.18 0.00 -0.15 -4.87 120.51 109.70 1r7a n ALA 384 Ca 0.24 -0.49 -0.36 0.00 0.00 0.00 0.00 53.44 52.83 1r7a n ALA 384 Cb 0.95 -1.59 -0.05 0.00 0.00 0.00 0.00 19.45 18.76 1r7a n ALA 384 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1r7a s GLY 385 N -4.03 2.70 0.32 0.00 0.00 0.56 -4.98 107.32 101.89 1r7a s GLY 385 Ca 0.21 0.58 0.04 0.00 0.00 0.00 0.00 44.72 45.55 1r7a s GLY 385 CO 0.99 0.99 0.48 0.54 0.00 0.00 0.00 173.10 176.10 1r7a s LYS 386 N -2.45 3.30 0.15 2.90 1.02 -1.26 -4.28 119.74 119.12 1r7a s LYS 386 Ca 0.56 -0.69 -0.34 0.00 0.02 0.00 0.00 55.97 55.52 1r7a s LYS 386 Cb -0.18 -2.77 -0.15 0.00 -0.52 0.00 0.00 37.83 34.21 1r7a s LYS 386 CO 0.24 0.15 1.40 0.09 -0.92 0.00 0.00 175.35 176.31 1r7a n ASN 387 N -1.67 2.27 -4.39 2.83 3.02 -1.26 -4.90 115.26 111.15 1r7a n ASN 387 Ca -0.04 1.11 -0.45 0.00 -0.03 0.00 0.00 54.58 55.17 1r7a n ASN 387 Cb 0.57 -1.31 -0.02 0.00 -0.61 0.00 0.00 39.78 38.40 1r7a n ASN 387 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1r7a s ASP 388 N 0.51 6.68 0.38 6.41 -1.08 -0.15 -4.85 116.67 124.57 1r7a s ASP 388 Ca 0.78 -2.34 0.20 0.00 -0.52 0.00 0.00 52.55 50.67 1r7a s ASP 388 Cb -0.79 -2.31 0.54 0.00 -1.46 0.00 0.00 42.92 38.90 1r7a s ASP 388 CO 0.45 -0.84 1.66 0.24 0.52 0.00 0.00 175.17 177.21 1r7a h MET 389 N 8.35 0.00 -0.25 4.34 2.86 -1.90 -2.64 114.93 125.68 1r7a h MET 389 Ca 0.13 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.72 1r7a h MET 389 Cb 1.03 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.68 1r7a h MET 389 CO 0.94 0.32 -0.04 0.93 1.06 0.00 0.00 176.91 180.12 1r7a h GLU 390 N 0.00 0.47 -0.42 1.72 4.39 -1.98 -1.43 114.58 117.33 1r7a h GLU 390 Ca -0.00 -0.17 -0.15 0.00 0.34 0.00 0.00 59.36 59.38 1r7a h GLU 390 Cb 1.02 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.62 1r7a h GLU 390 CO 0.04 0.67 -0.33 1.25 -1.16 0.00 0.00 179.01 179.48 1r7a h LEU 391 N 0.23 1.01 -0.56 1.33 5.85 -1.89 -2.87 115.31 118.41 1r7a h LEU 391 Ca 0.07 -0.44 0.00 0.00 0.84 0.00 0.00 57.88 58.35 1r7a h LEU 391 Cb 0.48 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.20 1r7a h LEU 391 CO 0.02 1.24 0.35 0.25 -0.34 0.00 0.00 178.44 179.96 1r7a h LEU 392 N 0.80 0.66 -1.51 2.25 5.85 -1.38 -1.70 115.31 120.27 1r7a h LEU 392 Ca 0.08 -0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.74 1r7a h LEU 392 Cb 0.93 -0.17 -0.00 0.00 0.37 0.00 0.00 40.66 41.79 1r7a h LEU 392 CO 0.09 0.50 -0.08 0.08 -0.34 0.00 0.00 178.44 178.69 1r7a h ARG 393 N 0.76 0.00 0.05 1.25 0.11 -1.23 0.46 114.38 115.78 1r7a h ARG 393 Ca 0.20 0.00 -0.28 0.00 0.10 0.00 0.00 59.98 60.01 1r7a h ARG 393 Cb -0.05 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.01 1r7a h ARG 393 CO -0.04 0.08 -1.43 0.87 0.10 0.00 0.00 179.97 179.55 1r7a h LYS 394 N 0.00 0.11 0.00 0.08 1.57 -1.17 -3.39 116.57 113.77 1r7a h LYS 394 Ca -0.00 -0.19 -0.07 0.00 -1.87 0.00 0.00 60.65 58.52 1r7a h LYS 394 Cb 0.53 0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.90 1r7a h LYS 394 CO 0.01 0.92 -1.66 0.25 -0.57 0.00 0.00 179.45 178.40 1r7a n THR 395 N -3.32 0.25 -1.39 -0.16 -2.24 -0.70 -4.99 114.28 101.74 1r7a n THR 395 Ca -0.12 -0.36 -0.13 0.00 -2.27 0.00 0.00 64.05 61.16 1r7a n THR 395 Cb 1.02 -0.07 -0.06 0.00 -2.10 0.00 0.00 70.33 69.12 1r7a n THR 395 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1r7a n ASN 396 N -2.10 -5.45 -4.55 3.42 4.05 0.16 -4.94 115.26 105.85 1r7a n ASN 396 Ca -0.08 0.33 -0.42 0.00 0.45 0.00 0.00 54.58 54.87 1r7a n ASN 396 Cb 0.51 -4.14 -0.08 0.00 1.23 0.00 0.00 39.78 37.30 1r7a n ASN 396 CO 0.00 0.00 0.00 0.21 -3.05 0.00 0.00 177.26 174.42 1r7a s ASN 397 N -2.56 6.30 0.25 1.20 2.47 -1.26 -1.86 114.94 119.48 1r7a s ASN 397 Ca 0.00 -0.13 -0.06 0.00 0.42 0.00 0.00 52.86 53.09 1r7a s ASN 397 Cb 0.00 -2.27 0.46 0.00 -1.45 0.00 0.00 41.25 37.99 1r7a s ASN 397 CO 0.00 -0.52 1.64 1.23 -3.72 0.00 0.00 177.10 175.73 1r7a h GLY 398 N 9.15 0.89 2.00 1.21 0.00 -1.56 -0.82 103.07 113.93 1r7a h GLY 398 Ca -0.27 0.10 0.00 0.00 0.00 0.00 0.00 47.33 47.15 1r7a h GLY 398 CO 0.79 -0.29 0.00 3.21 0.00 0.00 0.00 176.54 180.24 1r7a h ARG 399 N 0.11 0.00 0.00 4.80 3.08 -1.81 -2.68 114.38 117.88 1r7a h ARG 399 Ca 0.42 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.47 1r7a h ARG 399 Cb 0.75 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.80 1r7a h ARG 399 CO -0.66 0.00 0.00 -0.44 -1.07 0.00 0.00 179.97 177.80 1r7a h ASP 400 N 0.00 0.00 0.10 7.04 5.19 -1.52 -1.42 116.42 125.81 1r7a h ASP 400 Ca 0.00 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.40 1r7a h ASP 400 Cb 0.24 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.74 1r7a h ASP 400 CO 0.00 0.00 -0.03 -0.29 -3.12 0.00 0.00 179.24 175.80 1r7a h ILE 401 N 0.00 0.55 -0.30 0.35 2.10 -1.64 -1.61 117.51 116.96 1r7a h ILE 401 Ca 0.00 -0.15 -0.14 0.00 1.08 0.00 0.00 64.86 65.65 1r7a h ILE 401 Cb 0.24 1.09 -0.08 0.00 -1.09 0.00 0.00 36.82 36.98 1r7a h ILE 401 CO 0.00 0.03 -0.10 -3.20 -1.08 0.00 0.00 178.15 173.81 1r7a n ASN 402 N -3.81 2.59 -2.67 2.19 5.15 -0.54 -0.98 115.26 117.20 1r7a n ASN 402 Ca -0.03 -3.66 -0.08 0.00 -0.60 0.00 0.00 54.58 50.21 1r7a n ASN 402 Cb 0.12 -0.61 0.03 0.00 -0.53 0.00 0.00 39.78 38.80 1r7a n ASN 402 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1r7a n ARG 403 N -1.06 1.77 -1.67 1.20 1.74 -0.61 -4.89 116.66 113.14 1r7a n ARG 403 Ca 0.30 -3.53 -0.39 0.00 -0.77 0.00 0.00 57.85 53.45 1r7a n ARG 403 Cb 0.98 -1.56 0.03 0.00 -1.02 0.00 0.00 32.46 30.89 1r7a n ARG 403 CO 0.00 0.00 0.00 1.58 -1.52 0.00 0.00 177.63 177.69 1r7a n HIS 404 N -0.36 1.64 -3.21 -1.55 -0.00 -1.26 -4.96 115.22 105.52 1r7a n HIS 404 Ca 0.14 0.47 -0.42 0.00 0.46 0.00 0.00 57.72 58.36 1r7a n HIS 404 Cb 0.81 -2.28 -0.08 0.00 -0.12 0.00 0.00 29.99 28.33 1r7a n HIS 404 CO 0.00 0.00 0.00 0.71 0.46 0.00 0.00 176.34 177.51 1r7a s TYR 405 N -1.33 3.14 -0.40 1.57 2.02 -1.26 -4.88 117.35 116.20 1r7a s TYR 405 Ca 0.69 0.03 -0.15 0.00 -0.37 0.00 0.00 57.07 57.27 1r7a s TYR 405 Cb -0.46 -3.06 0.01 0.00 -0.40 0.00 0.00 41.96 38.05 1r7a s TYR 405 CO 0.52 -0.67 0.33 0.71 -1.57 0.00 0.00 175.55 174.87 1r7a s TYR 406 N 2.50 3.22 0.77 2.71 2.02 0.15 -5.02 117.35 123.70 1r7a s TYR 406 Ca 0.19 -0.46 -0.11 0.00 -0.37 0.00 0.00 57.07 56.32 1r7a s TYR 406 Cb -0.15 -2.65 0.05 0.00 -0.40 0.00 0.00 41.96 38.81 1r7a s TYR 406 CO 0.15 -0.58 1.08 -1.54 -1.57 0.00 0.00 175.55 173.10 1r7a s SER 407 N 1.72 4.70 0.34 2.29 1.04 -1.26 -0.67 113.70 121.86 1r7a s SER 407 Ca 0.07 1.50 0.04 0.00 0.48 0.00 0.00 55.95 58.04 1r7a s SER 407 Cb -0.18 -2.28 0.66 0.00 0.10 0.00 0.00 66.02 64.32 1r7a s SER 407 CO 0.11 -1.86 1.95 0.74 0.98 0.00 0.00 173.24 175.16 1r7a h THR 408 N -1.01 1.06 -0.47 2.02 2.02 -1.94 -0.65 112.91 113.93 1r7a h THR 408 Ca -0.46 -0.29 -0.01 0.00 0.77 0.00 0.00 66.41 66.42 1r7a h THR 408 Cb 1.24 0.12 -0.02 0.00 -1.74 0.00 0.00 68.15 67.75 1r7a h THR 408 CO 0.57 0.16 0.27 0.00 0.37 0.00 0.00 175.52 176.88 1r7a h ALA 409 N 1.57 0.61 -0.15 6.16 0.00 -1.96 -1.53 119.26 123.96 1r7a h ALA 409 Ca 0.33 -0.08 -0.12 0.00 0.00 0.00 0.00 54.91 55.04 1r7a h ALA 409 Cb 0.19 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1r7a h ALA 409 CO -0.11 0.12 -0.42 1.49 0.00 0.00 0.00 179.25 180.33 1r7a h GLU 410 N 0.63 0.34 -0.13 0.00 4.81 -1.69 -2.11 114.58 116.43 1r7a h GLU 410 Ca 0.17 -0.17 -0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1r7a h GLU 410 Cb 0.03 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.41 1r7a h GLU 410 CO -0.03 0.70 0.07 0.82 -0.73 0.00 0.00 179.01 179.84 1r7a h ILE 411 N 0.28 1.11 -0.24 2.32 2.04 -0.73 -1.07 117.51 121.21 1r7a h ILE 411 Ca 0.02 -0.31 -0.04 0.00 1.00 0.00 0.00 64.86 65.54 1r7a h ILE 411 Cb 0.86 1.08 -0.01 0.00 -0.74 0.00 0.00 36.82 38.00 1r7a h ILE 411 CO 0.07 0.10 -0.02 0.44 0.00 0.00 0.00 178.15 178.74 1r7a h ASP 412 N 0.10 0.34 -0.34 1.72 3.32 -1.13 -0.93 116.42 119.49 1r7a h ASP 412 Ca 0.05 -0.05 -0.07 0.00 0.02 0.00 0.00 57.03 56.97 1r7a h ASP 412 Cb 0.10 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.55 1r7a h ASP 412 CO -0.01 0.41 -0.05 -0.08 -1.72 0.00 0.00 179.24 177.79 1r7a h GLU 413 N 0.36 0.63 0.00 3.56 4.57 -1.00 -2.92 114.58 119.78 1r7a h GLU 413 Ca 0.08 -0.23 -0.05 0.00 -1.18 0.00 0.00 59.36 57.98 1r7a h GLU 413 Cb 0.27 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.81 1r7a h GLU 413 CO 0.01 0.79 -0.25 -0.91 -1.18 0.00 0.00 179.01 177.47 1r7a h ASN 414 N 0.43 0.00 0.46 1.04 2.35 -0.69 -2.62 115.58 116.54 1r7a h ASN 414 Ca 0.09 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.84 1r7a h ASN 414 Cb 0.53 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.90 1r7a h ASN 414 CO 0.03 0.25 0.00 0.18 -1.65 0.00 0.00 177.43 176.23 1r7a n LEU 415 N -3.50 0.00 0.03 1.61 4.77 -0.40 -1.98 117.00 117.53 1r7a n LEU 415 Ca -0.00 0.47 0.12 0.00 -0.03 0.00 0.00 56.01 56.57 1r7a n LEU 415 Cb 0.41 -0.47 0.20 0.00 -2.33 0.00 0.00 43.42 41.23 1r7a n LEU 415 CO 0.34 -0.24 0.37 0.29 -1.33 0.00 0.00 177.39 176.82 1r7a n LYS 416 N -1.47 0.15 -2.40 3.23 5.02 -0.99 -4.53 118.16 117.17 1r7a n LYS 416 Ca 0.04 0.04 -0.41 0.00 -2.02 0.00 0.00 58.31 55.95 1r7a n LYS 416 Cb 0.16 -1.59 -0.04 0.00 -0.02 0.00 0.00 35.03 33.55 1r7a n LYS 416 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1r7a s ARG 417 N -3.09 4.51 0.28 1.97 0.52 -0.83 -4.93 118.95 117.37 1r7a s ARG 417 Ca 0.08 1.84 0.01 0.00 -0.52 0.00 0.00 55.73 57.14 1r7a s ARG 417 Cb 0.15 -3.25 0.57 0.00 0.52 0.00 0.00 34.95 32.95 1r7a s ARG 417 CO 0.71 -0.06 1.80 -1.35 0.02 0.00 0.00 175.30 176.42 1r7a h PRO 418 N 5.25 0.78 -0.31 3.54 0.11 -1.90 -0.81 132.00 138.64 1r7a h PRO 418 Ca -0.44 -0.05 -0.10 0.00 0.11 0.00 0.00 66.00 65.52 1r7a h PRO 418 Cb 1.21 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 32.13 1r7a h PRO 418 CO 0.74 0.51 -0.22 -0.24 -0.21 0.00 0.00 178.00 178.58 1r7a h VAL 419 N 0.80 1.26 -0.21 3.15 3.04 -1.92 -0.24 116.25 122.13 1r7a h VAL 419 Ca 0.49 -1.26 -0.21 0.00 -1.01 0.00 0.00 66.70 64.71 1r7a h VAL 419 Cb 0.62 1.27 0.01 0.00 -2.01 0.00 0.00 31.29 31.18 1r7a h VAL 419 CO -0.32 0.41 -0.68 0.58 -1.01 0.00 0.00 177.57 176.55 1r7a h VAL 420 N 0.53 1.28 -0.66 1.51 2.07 -1.63 -1.81 116.25 117.54 1r7a h VAL 420 Ca 0.08 -1.88 -0.03 0.00 0.82 0.00 0.00 66.70 65.69 1r7a h VAL 420 Cb 0.67 1.84 -0.03 0.00 -1.52 0.00 0.00 31.29 32.24 1r7a h VAL 420 CO 0.05 0.60 0.29 0.11 0.02 0.00 0.00 177.57 178.64 1r7a h LYS 421 N 0.59 0.95 -0.66 1.57 1.57 -0.98 -1.50 116.57 118.10 1r7a h LYS 421 Ca -0.02 -0.14 -0.06 0.00 -1.87 0.00 0.00 60.65 58.56 1r7a h LYS 421 Cb 1.30 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 33.42 1r7a h LYS 421 CO 0.14 0.75 0.17 0.00 -0.57 0.00 0.00 179.45 179.95 1r7a h ALA 422 N 1.38 0.87 -0.36 3.86 0.00 -0.83 -1.25 119.26 122.92 1r7a h ALA 422 Ca 0.23 -0.23 -0.10 0.00 0.00 0.00 0.00 54.91 54.80 1r7a h ALA 422 Cb 0.14 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1r7a h ALA 422 CO -0.03 0.58 -0.16 1.25 0.00 0.00 0.00 179.25 180.89 1r7a h LEU 423 N 0.98 0.77 -0.55 0.00 5.85 -0.90 -0.09 115.31 121.37 1r7a h LEU 423 Ca 0.21 -0.40 0.02 0.00 0.84 0.00 0.00 57.88 58.55 1r7a h LEU 423 Cb 0.35 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.13 1r7a h LEU 423 CO 0.00 1.00 0.35 0.78 -0.34 0.00 0.00 178.44 180.22 1r7a h ASN 424 N 0.54 0.57 -0.58 1.25 2.35 -1.12 0.01 115.58 118.60 1r7a h ASN 424 Ca 0.08 -0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 55.75 1r7a h ASN 424 Cb 0.70 -0.13 -0.02 0.00 0.05 0.00 0.00 38.32 38.92 1r7a h ASN 424 CO 0.05 0.41 0.07 0.00 -1.65 0.00 0.00 177.43 176.31 1r7a h ALA 425 N 1.23 0.98 -0.49 -0.83 0.00 -1.06 -1.55 119.26 117.54 1r7a h ALA 425 Ca 0.22 -0.27 -0.10 0.00 0.00 0.00 0.00 54.91 54.76 1r7a h ALA 425 Cb -0.02 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 1r7a h ALA 425 CO -0.08 0.64 -0.07 1.25 0.00 0.00 0.00 179.25 180.99 1r7a h LEU 426 N 0.94 0.92 -0.63 0.00 5.85 -0.53 -1.11 115.31 120.74 1r7a h LEU 426 Ca 0.18 -0.34 -0.09 0.00 0.84 0.00 0.00 57.88 58.47 1r7a h LEU 426 Cb 0.45 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.21 1r7a h LEU 426 CO 0.02 1.04 0.03 0.00 -0.34 0.00 0.00 178.44 179.19 1r7a h ALA 427 N 0.91 0.85 -0.67 1.25 0.00 -0.86 -0.48 119.26 120.25 1r7a h ALA 427 Ca 0.13 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 1r7a h ALA 427 Cb 0.62 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 1r7a h ALA 427 CO 0.04 0.67 0.30 -0.22 0.00 0.00 0.00 179.25 180.04 1r7a h LYS 428 N 1.01 0.98 -0.51 0.00 3.64 -1.12 -1.10 116.57 119.47 1r7a h LYS 428 Ca 0.18 -0.16 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1r7a h LYS 428 Cb 0.53 -0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 32.16 1r7a h LYS 428 CO 0.03 0.80 0.33 0.35 -2.27 0.00 0.00 179.45 178.69 1r7a h PHE 429 N 0.94 0.65 0.00 1.91 3.57 -0.88 0.14 116.94 123.26 1r7a h PHE 429 Ca 0.23 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.72 1r7a h PHE 429 Cb 0.16 -0.22 -0.00 0.00 2.79 0.00 0.00 35.95 38.68 1r7a h PHE 429 CO 0.01 0.42 -0.08 -0.09 -2.23 0.00 0.00 178.31 176.34 1r7a h ARG 430 N 0.69 0.00 0.00 1.11 9.65 -0.57 -2.11 114.38 123.15 1r7a h ARG 430 Ca 0.19 0.00 -0.07 0.00 -1.10 0.00 0.00 59.98 58.99 1r7a h ARG 430 Cb -0.06 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 28.51 1r7a h ARG 430 CO -0.04 0.08 -1.42 0.09 2.80 0.00 0.00 179.97 181.48 1r7a n ASN 431 N -3.42 0.62 -0.07 -3.80 3.02 -0.46 -4.56 115.26 106.59 1r7a n ASN 431 Ca -0.01 0.25 -0.04 0.00 -0.03 0.00 0.00 54.58 54.75 1r7a n ASN 431 Cb 0.23 0.72 -0.15 0.00 -0.61 0.00 0.00 39.78 39.97 1r7a n ASN 431 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1r7a n GLU 432 N -2.66 0.79 -2.80 3.52 1.02 -0.06 -4.91 120.64 115.54 1r7a n GLU 432 Ca -0.06 -0.06 -0.42 0.00 -0.02 0.00 0.00 57.16 56.60 1r7a n GLU 432 Cb 0.68 -1.49 -0.03 0.00 -0.02 0.00 0.00 31.44 30.57 1r7a n GLU 432 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1r7a s LEU 433 N -5.14 4.12 0.00 -4.62 2.96 -0.82 -4.92 118.68 110.27 1r7a s LEU 433 Ca -0.09 1.22 0.18 0.00 -0.22 0.00 0.00 54.13 55.22 1r7a s LEU 433 Cb 0.08 -3.34 1.02 0.00 0.50 0.00 0.00 46.19 44.46 1r7a s LEU 433 CO 0.81 -0.53 1.50 -0.90 -1.32 0.00 0.00 176.35 175.91 1r7a n ASP 434 N 5.82 0.00 -0.15 3.68 5.68 -1.26 -3.22 116.55 127.10 1r7a n ASP 434 Ca 0.07 -0.37 0.06 0.00 -0.50 0.00 0.00 54.79 54.05 1r7a n ASP 434 Cb 0.47 -0.09 0.36 0.00 -1.14 0.00 0.00 41.12 40.72 1r7a n ASP 434 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1r7a h ALA 435 N 3.04 1.69 0.00 2.12 0.00 -1.89 -1.27 119.26 122.95 1r7a h ALA 435 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1r7a h ALA 435 Cb 0.05 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.64 1r7a h ALA 435 CO 0.00 0.22 0.00 1.19 0.00 0.00 0.00 179.25 180.66 1r7a n PHE 436 N -4.47 0.53 -0.05 0.00 3.72 -1.20 -0.84 117.46 115.16 1r7a n PHE 436 Ca 0.09 0.23 0.12 0.00 -0.05 0.00 0.00 57.45 57.84 1r7a n PHE 436 Cb 0.18 -0.87 0.28 0.00 -0.94 0.00 0.00 39.48 38.13 1r7a n PHE 436 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 1r7a n ASP 437 N -2.00 3.71 0.00 4.37 8.00 -0.48 -4.93 116.55 125.21 1r7a n ASP 437 Ca 0.01 -2.00 0.00 0.00 0.71 0.00 0.00 54.79 53.52 1r7a n ASP 437 Cb 0.14 -0.39 0.00 0.00 -0.02 0.00 0.00 41.12 40.85 1r7a n ASP 437 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1r7a n GLY 438 N 1.60 2.20 3.84 0.44 0.00 -0.02 -4.98 105.19 108.27 1r7a n GLY 438 Ca 0.22 -1.75 -0.38 0.00 0.00 0.00 0.00 46.02 44.12 1r7a n GLY 438 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1r7a s THR 439 N 4.78 5.11 -0.06 2.61 -4.23 -0.20 -4.85 115.64 118.79 1r7a s THR 439 Ca 0.00 0.74 -0.01 0.00 -1.18 0.00 0.00 61.69 61.24 1r7a s THR 439 Cb 0.00 -3.66 -0.03 0.00 1.34 0.00 0.00 72.50 70.15 1r7a s THR 439 CO 0.00 0.59 -0.01 0.12 -0.54 0.00 0.00 174.62 174.78 1r7a s PHE 440 N -1.06 3.11 0.18 3.99 5.36 -1.26 -1.24 117.98 127.05 1r7a s PHE 440 Ca 0.22 0.14 -0.19 0.00 -0.96 0.00 0.00 56.93 56.14 1r7a s PHE 440 Cb -0.16 -1.74 0.04 0.00 -0.34 0.00 0.00 43.02 40.82 1r7a s PHE 440 CO 0.12 0.45 0.52 -1.54 -1.46 0.00 0.00 175.22 173.31 1r7a s SER 441 N -1.07 -0.33 0.06 6.13 1.04 -0.46 -5.02 113.70 114.06 1r7a s SER 441 Ca 0.15 -0.34 -0.20 0.00 0.48 0.00 0.00 55.95 56.04 1r7a s SER 441 Cb -0.11 0.57 0.04 0.00 0.10 0.00 0.00 66.02 66.62 1r7a s SER 441 CO 0.04 -1.00 0.46 -0.72 0.98 0.00 0.00 173.24 173.00 1r7a s TYR 442 N -3.83 -0.33 0.16 5.02 -0.85 -1.26 -0.37 117.35 115.88 1r7a s TYR 442 Ca 0.06 0.29 0.03 0.00 -0.52 0.00 0.00 57.07 56.93 1r7a s TYR 442 Cb -0.01 0.29 -0.05 0.00 0.38 0.00 0.00 41.96 42.58 1r7a s TYR 442 CO -0.07 -0.63 -0.06 0.95 -1.52 0.00 0.00 175.55 174.22 1r7a s THR 443 N -2.70 0.96 -0.06 -3.49 -4.23 -0.63 -4.99 115.64 100.51 1r7a s THR 443 Ca -0.04 -2.02 -0.08 0.00 -1.18 0.00 0.00 61.69 58.37 1r7a s THR 443 Cb -0.00 -1.94 0.02 0.00 1.34 0.00 0.00 72.50 71.91 1r7a s THR 443 CO -0.04 -0.66 0.21 0.28 -0.54 0.00 0.00 174.62 173.87 1r7a s THR 444 N -3.46 0.02 -0.89 3.99 -1.32 -1.26 -0.87 115.64 111.85 1r7a s THR 444 Ca 0.19 -0.20 -0.11 0.00 -1.21 0.00 0.00 61.69 60.36 1r7a s THR 444 Cb 0.04 -0.37 0.23 0.00 -1.51 0.00 0.00 72.50 70.90 1r7a s THR 444 CO 0.01 -0.11 0.84 -0.62 -2.21 0.00 0.00 174.62 172.53 1r7a s ASP 445 N -0.36 6.73 0.00 8.08 -1.08 1.00 -4.92 116.67 126.12 1r7a s ASP 445 Ca -0.05 -3.03 0.00 0.00 -0.52 0.00 0.00 52.55 48.96 1r7a s ASP 445 Cb -0.03 -2.16 0.00 0.00 -1.46 0.00 0.00 42.92 39.27 1r7a s ASP 445 CO 0.01 -0.45 0.00 -0.90 0.52 0.00 0.00 175.17 174.35 1r7a n ASP 446 N 3.47 0.00 0.00 -0.34 5.75 -1.26 -0.22 116.55 123.95 1r7a n ASP 446 Ca 0.17 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.95 1r7a n ASP 446 Cb 0.43 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.52 1r7a n ASP 446 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 1r7a n ASP 447 N 0.88 -1.89 -0.10 -1.12 2.03 -1.26 -4.70 116.55 110.39 1r7a n ASP 447 Ca 0.00 0.00 -0.15 0.00 0.52 0.00 0.00 54.79 55.16 1r7a n ASP 447 Cb 0.00 -2.50 -0.08 0.00 -0.72 0.00 0.00 41.12 37.82 1r7a n ASP 447 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 1r7a n THR 448 N -1.64 1.10 -3.80 5.18 -2.24 0.70 -3.17 114.28 110.41 1r7a n THR 448 Ca 0.00 -0.38 -0.09 0.00 -2.27 0.00 0.00 64.05 61.30 1r7a n THR 448 Cb 0.16 -1.33 -0.07 0.00 -2.10 0.00 0.00 70.33 66.99 1r7a n THR 448 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1r7a s SER 449 N -6.10 0.02 -0.02 3.42 1.04 -1.07 -4.38 113.70 106.60 1r7a s SER 449 Ca -0.26 -0.52 -0.01 0.00 0.48 0.00 0.00 55.95 55.64 1r7a s SER 449 Cb 0.08 0.37 0.01 0.00 0.10 0.00 0.00 66.02 66.58 1r7a s SER 449 CO 0.42 -0.73 0.04 -0.51 0.98 0.00 0.00 173.24 173.44 1r7a s ILE 450 N -3.64 -0.02 -0.16 -1.02 2.07 -0.74 -0.00 121.20 117.70 1r7a s ILE 450 Ca 0.03 0.08 0.02 0.00 -1.41 0.00 0.00 60.65 59.36 1r7a s ILE 450 Cb 0.03 -0.08 0.01 0.00 0.13 0.00 0.00 42.46 42.56 1r7a s ILE 450 CO -0.10 0.03 -0.21 -0.44 -1.91 0.00 0.00 174.94 172.31 1r7a s SER 451 N 0.41 3.15 -0.20 4.50 0.01 -0.05 -0.51 113.70 121.01 1r7a s SER 451 Ca -0.03 -0.62 -0.09 0.00 1.31 0.00 0.00 55.95 56.52 1r7a s SER 451 Cb -0.05 -1.47 -0.05 0.00 0.21 0.00 0.00 66.02 64.67 1r7a s SER 451 CO -0.01 0.04 0.11 -0.36 0.41 0.00 0.00 173.24 173.43 1r7a s PHE 452 N 1.05 3.35 -0.03 2.43 0.08 0.34 -1.60 117.98 123.59 1r7a s PHE 452 Ca -0.01 0.23 0.05 0.00 0.12 0.00 0.00 56.93 57.31 1r7a s PHE 452 Cb -0.14 -2.15 -0.01 0.00 -0.57 0.00 0.00 43.02 40.15 1r7a s PHE 452 CO -0.07 0.21 -0.18 0.99 -0.10 0.00 0.00 175.22 176.08 1r7a s THR 453 N 0.46 1.43 -0.07 0.64 2.01 0.50 -0.68 115.64 119.93 1r7a s THR 453 Ca 0.06 -0.74 0.04 0.00 0.31 0.00 0.00 61.69 61.36 1r7a s THR 453 Cb -0.12 -1.22 0.00 0.00 0.01 0.00 0.00 72.50 71.18 1r7a s THR 453 CO -0.01 0.41 -0.18 0.26 -0.69 0.00 0.00 174.62 174.41 1r7a s TRP 454 N -0.13 1.97 -0.19 4.92 0.52 -0.37 -1.35 118.94 124.31 1r7a s TRP 454 Ca 0.00 -0.72 0.01 0.00 0.02 0.00 0.00 56.10 55.42 1r7a s TRP 454 Cb -0.10 -1.35 0.03 0.00 -1.15 0.00 0.00 33.47 30.90 1r7a s TRP 454 CO 0.01 -0.30 -0.14 1.03 0.02 0.00 0.00 176.95 177.57 1r7a s ARG 455 N 0.34 2.44 0.00 4.98 0.52 -0.37 -1.33 118.95 125.53 1r7a s ARG 455 Ca -0.13 -0.87 0.00 0.00 -0.52 0.00 0.00 55.73 54.21 1r7a s ARG 455 Cb -0.15 -2.49 0.00 0.00 0.52 0.00 0.00 34.95 32.83 1r7a s ARG 455 CO 0.05 -0.34 0.00 0.41 0.02 0.00 0.00 175.30 175.44 1r7a n GLY 456 N 4.64 4.12 0.19 -3.53 0.00 0.48 -1.04 105.19 110.05 1r7a n GLY 456 Ca -0.17 -2.11 -0.09 0.00 0.00 0.00 0.00 46.02 43.65 1r7a n GLY 456 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1r7a h GLU 457 N 0.00 0.60 0.00 1.61 5.08 -1.92 -3.35 114.58 116.60 1r7a h GLU 457 Ca 0.00 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 1r7a h GLU 457 Cb 0.00 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.16 1r7a h GLU 457 CO 0.00 0.58 -0.11 0.25 -1.00 0.00 0.00 179.01 178.73 1r7a n THR 458 N -4.63 0.80 -3.89 1.13 -2.24 -1.26 -5.09 114.28 99.09 1r7a n THR 458 Ca -0.00 -0.90 -0.09 0.00 -2.27 0.00 0.00 64.05 60.78 1r7a n THR 458 Cb 0.16 0.41 -0.01 0.00 -2.10 0.00 0.00 70.33 68.79 1r7a n THR 458 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1r7a s SER 459 N -1.28 0.08 -0.13 3.42 1.04 -1.26 -4.51 113.70 111.06 1r7a s SER 459 Ca 0.09 -1.04 -0.29 0.00 0.48 0.00 0.00 55.95 55.18 1r7a s SER 459 Cb 0.08 0.76 0.09 0.00 0.10 0.00 0.00 66.02 67.04 1r7a s SER 459 CO 0.01 -1.48 0.79 -1.58 0.98 0.00 0.00 173.24 171.96 1r7a s GLN 460 N -3.04 0.87 -0.06 4.02 0.74 -1.07 -0.39 119.66 120.74 1r7a s GLN 460 Ca 0.18 0.38 -0.12 0.00 0.05 0.00 0.00 55.36 55.84 1r7a s GLN 460 Cb -0.04 0.41 0.02 0.00 1.10 0.00 0.00 33.01 34.51 1r7a s GLN 460 CO 0.11 -0.24 0.29 0.00 -0.55 0.00 0.00 175.29 174.91 1r7a s ALA 461 N -0.81 -0.73 -0.07 1.58 0.00 -0.44 -0.63 121.76 120.67 1r7a s ALA 461 Ca -0.06 0.53 0.00 0.00 0.00 0.00 0.00 51.96 52.43 1r7a s ALA 461 Cb -0.01 -0.19 0.02 0.00 0.00 0.00 0.00 23.12 22.94 1r7a s ALA 461 CO 0.05 -0.20 -0.04 0.99 0.00 0.00 0.00 175.76 176.56 1r7a s THR 462 N -0.64 0.64 -0.20 0.00 2.01 0.77 -1.24 115.64 116.99 1r7a s THR 462 Ca -0.07 -0.11 -0.06 0.00 0.31 0.00 0.00 61.69 61.76 1r7a s THR 462 Cb -0.04 -0.70 -0.03 0.00 0.01 0.00 0.00 72.50 71.74 1r7a s THR 462 CO 0.02 0.28 0.03 -0.22 -0.69 0.00 0.00 174.62 174.04 1r7a s LEU 463 N 1.43 3.45 -0.25 4.42 2.96 0.14 -1.36 118.68 129.48 1r7a s LEU 463 Ca -0.02 -0.12 -0.06 0.00 -0.22 0.00 0.00 54.13 53.71 1r7a s LEU 463 Cb -0.13 -1.88 -0.01 0.00 0.50 0.00 0.00 46.19 44.66 1r7a s LEU 463 CO -0.03 0.08 0.03 -0.89 -1.32 0.00 0.00 176.35 174.21 1r7a s THR 464 N 0.93 3.85 -0.28 3.68 2.01 0.06 -0.51 115.64 125.40 1r7a s THR 464 Ca 0.02 -0.41 -0.07 0.00 0.31 0.00 0.00 61.69 61.54 1r7a s THR 464 Cb -0.14 -2.82 -0.00 0.00 0.01 0.00 0.00 72.50 69.54 1r7a s THR 464 CO 0.02 0.32 0.07 0.12 -0.69 0.00 0.00 174.62 174.46 1r7a s PHE 465 N 1.53 3.12 -0.40 4.92 5.36 0.33 -1.43 117.98 131.42 1r7a s PHE 465 Ca 0.05 -0.85 0.03 0.00 -0.96 0.00 0.00 56.93 55.21 1r7a s PHE 465 Cb -0.15 -2.24 0.16 0.00 -0.34 0.00 0.00 43.02 40.45 1r7a s PHE 465 CO 0.01 -0.53 0.32 -2.00 -1.46 0.00 0.00 175.22 171.56 1r7a s GLU 466 N 1.53 0.82 0.48 10.12 2.12 -0.32 -1.78 118.70 131.67 1r7a s GLU 466 Ca 0.04 -1.88 0.24 0.00 0.36 0.00 0.00 54.97 53.73 1r7a s GLU 466 Cb -0.16 -1.33 1.28 0.00 0.26 0.00 0.00 34.13 34.17 1r7a s GLU 466 CO 0.02 -1.34 1.89 -1.35 -0.54 0.00 0.00 175.26 173.94 1r7a h PRO 467 N 5.95 0.18 -0.00 4.30 0.11 -1.77 -1.16 132.00 139.62 1r7a h PRO 467 Ca 0.21 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.31 1r7a h PRO 467 Cb 0.93 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 32.00 1r7a h PRO 467 CO 0.33 0.12 0.01 -0.22 -0.21 0.00 0.00 178.00 178.03 1r7a h LYS 468 N 0.19 0.00 0.00 1.05 3.64 -1.80 -1.15 116.57 118.49 1r7a h LYS 468 Ca 0.41 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.74 1r7a h LYS 468 Cb 1.33 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.15 1r7a h LYS 468 CO -0.08 0.00 -0.24 0.00 -2.27 0.00 0.00 179.45 176.86 1r7a h ARG 469 N 0.00 0.00 -0.48 1.90 3.08 -1.54 -3.38 114.38 113.97 1r7a h ARG 469 Ca 0.00 0.00 -0.30 0.00 0.07 0.00 0.00 59.98 59.75 1r7a h ARG 469 Cb 0.02 0.00 -0.20 0.00 0.08 0.00 0.00 29.97 29.87 1r7a h ARG 469 CO -0.00 0.24 -0.64 0.41 -1.07 0.00 0.00 179.97 178.91 1r7a n GLY 470 N -0.79 0.73 3.83 0.04 0.00 -0.45 -4.88 105.19 103.67 1r7a n GLY 470 Ca -0.02 -0.27 -0.31 0.00 0.00 0.00 0.00 46.02 45.42 1r7a n GLY 470 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1r7a s LEU 471 N -0.88 3.21 0.00 0.99 1.43 -1.13 -4.81 118.68 117.48 1r7a s LEU 471 Ca 0.32 1.59 0.00 0.00 -1.03 0.00 0.00 54.13 55.01 1r7a s LEU 471 Cb 0.22 -4.49 0.00 0.00 0.03 0.00 0.00 46.19 41.95 1r7a s LEU 471 CO -0.21 -1.26 0.00 0.61 0.23 0.00 0.00 176.35 175.72 1r7a n GLY 472 N -2.06 2.18 0.30 -3.19 0.00 -1.26 -4.44 105.19 96.72 1r7a n GLY 472 Ca 0.07 -1.53 0.19 0.00 0.00 0.00 0.00 46.02 44.75 1r7a n GLY 472 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1r7a h VAL 473 N 0.00 0.18 -0.35 1.61 -1.51 -1.92 -2.46 116.25 111.80 1r7a h VAL 473 Ca 0.00 -0.24 0.00 0.00 -1.23 0.00 0.00 66.70 65.23 1r7a h VAL 473 Cb 0.00 1.20 0.00 0.00 -2.13 0.00 0.00 31.29 30.36 1r7a h VAL 473 CO 0.00 0.03 0.00 -0.67 -1.23 0.00 0.00 177.57 175.70 1r7a n ASP 474 N -3.29 3.40 -4.80 4.19 2.03 -1.26 -4.36 116.55 112.46 1r7a n ASP 474 Ca -0.02 -1.99 -0.35 0.00 0.52 0.00 0.00 54.79 52.95 1r7a n ASP 474 Cb 0.16 -0.22 -0.05 0.00 -0.72 0.00 0.00 41.12 40.29 1r7a n ASP 474 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 1r7a s ASN 475 N -1.55 6.74 0.00 1.67 3.84 -0.93 -4.97 114.94 119.75 1r7a s ASN 475 Ca 0.38 1.87 0.03 0.00 0.21 0.00 0.00 52.86 55.35 1r7a s ASN 475 Cb 0.23 -2.56 0.04 0.00 -0.55 0.00 0.00 41.25 38.41 1r7a s ASN 475 CO 0.32 -0.50 0.72 0.35 -2.79 0.00 0.00 177.10 175.20 1r7a n THR 476 N -0.46 0.23 -2.65 -5.21 -2.24 -1.26 -4.82 114.28 97.86 1r7a n THR 476 Ca 0.07 -0.61 -0.42 0.00 -2.27 0.00 0.00 64.05 60.81 1r7a n THR 476 Cb 0.52 0.94 -0.03 0.00 -2.10 0.00 0.00 70.33 69.66 1r7a n THR 476 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1r7a s THR 477 N -0.45 4.65 0.46 4.28 2.01 -1.26 -4.96 115.64 120.36 1r7a s THR 477 Ca 0.05 1.92 -0.24 0.00 0.31 0.00 0.00 61.69 63.73 1r7a s THR 477 Cb 0.03 -4.23 -0.07 0.00 0.01 0.00 0.00 72.50 68.23 1r7a s THR 477 CO 0.04 0.16 1.35 -2.84 -0.69 0.00 0.00 174.62 172.65 1r7a s PRO 478 N 0.92 3.64 -0.10 4.92 0.02 -1.26 -4.54 135.00 138.60 1r7a s PRO 478 Ca 0.53 2.25 0.13 0.00 0.02 0.00 0.00 61.00 63.93 1r7a s PRO 478 Cb -0.23 -2.57 0.31 0.00 0.02 0.00 0.00 34.50 32.03 1r7a s PRO 478 CO 0.29 -0.79 1.22 1.33 -0.33 0.00 0.00 177.00 178.71 1r7a n VAL 479 N -0.32 1.71 -3.74 3.83 0.24 -1.26 -4.60 118.33 114.19 1r7a n VAL 479 Ca 0.06 -1.73 -0.13 0.00 -2.04 0.00 0.00 64.34 60.51 1r7a n VAL 479 Cb 0.44 0.01 -0.11 0.00 -1.47 0.00 0.00 33.84 32.70 1r7a n VAL 479 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1r7a s ALA 480 N -2.23 -0.90 0.07 2.33 0.00 -1.26 -1.17 121.76 118.60 1r7a s ALA 480 Ca 0.28 1.09 0.06 0.00 0.00 0.00 0.00 51.96 53.38 1r7a s ALA 480 Cb 0.22 -0.64 -0.03 0.00 0.00 0.00 0.00 23.12 22.67 1r7a s ALA 480 CO 0.06 -0.18 -0.17 0.00 0.00 0.00 0.00 175.76 175.47 1r7a s MET 481 N 0.39 1.00 -0.05 0.00 0.23 -0.51 -4.39 119.30 115.96 1r7a s MET 481 Ca -0.02 -0.95 0.03 0.00 -1.03 0.00 0.00 55.69 53.72 1r7a s MET 481 Cb -0.04 -1.09 0.01 0.00 -1.53 0.00 0.00 34.83 32.18 1r7a s MET 481 CO -0.02 0.26 -0.14 -1.17 -2.03 0.00 0.00 175.02 171.92 1r7a s LEU 482 N -1.55 1.78 -0.02 0.18 2.96 0.19 -0.76 118.68 121.47 1r7a s LEU 482 Ca 0.02 -0.32 0.05 0.00 -0.22 0.00 0.00 54.13 53.67 1r7a s LEU 482 Cb -0.09 -0.88 -0.01 0.00 0.50 0.00 0.00 46.19 45.71 1r7a s LEU 482 CO 0.02 0.09 -0.18 -1.61 -1.32 0.00 0.00 176.35 173.35 1r7a s GLU 483 N 0.37 1.56 0.19 1.98 2.02 -0.46 -0.10 118.70 124.26 1r7a s GLU 483 Ca -0.10 -0.64 -0.18 0.00 0.02 0.00 0.00 54.97 54.08 1r7a s GLU 483 Cb -0.14 -1.46 0.03 0.00 0.10 0.00 0.00 34.13 32.66 1r7a s GLU 483 CO 0.03 0.35 0.52 1.67 0.02 0.00 0.00 175.26 177.85 1r7a s TRP 484 N -0.29 -0.14 -0.07 1.61 -2.14 -0.61 -0.16 118.94 117.14 1r7a s TRP 484 Ca 0.04 -0.20 0.02 0.00 2.66 0.00 0.00 56.10 58.62 1r7a s TRP 484 Cb -0.08 0.39 0.01 0.00 -3.10 0.00 0.00 33.47 30.69 1r7a s TRP 484 CO 0.00 -0.90 -0.12 -1.21 -2.66 0.00 0.00 176.95 172.07 1r7a s GLU 485 N -3.86 1.66 0.00 3.25 2.02 0.20 0.03 118.70 122.00 1r7a s GLU 485 Ca 0.08 -0.39 0.00 0.00 0.02 0.00 0.00 54.97 54.68 1r7a s GLU 485 Cb -0.01 -1.39 0.00 0.00 0.10 0.00 0.00 34.13 32.83 1r7a s GLU 485 CO -0.04 0.01 0.00 -0.40 0.02 0.00 0.00 175.26 174.85 1r7a n ASP 486 N 3.89 0.60 0.32 -0.19 5.68 -0.43 -2.61 116.55 123.81 1r7a n ASP 486 Ca -0.22 -0.27 0.21 0.00 -0.50 0.00 0.00 54.79 54.01 1r7a n ASP 486 Cb 0.52 0.00 1.07 0.00 -1.14 0.00 0.00 41.12 41.57 1r7a n ASP 486 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 1r7a h SER 487 N 0.00 0.00 -0.44 -1.12 4.64 -1.79 -1.74 113.55 113.10 1r7a h SER 487 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1r7a h SER 487 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1r7a h SER 487 CO 0.00 0.01 0.00 0.00 -0.87 0.00 0.00 176.83 175.97 1r7a n ALA 488 N -2.10 2.44 0.00 5.18 0.00 -1.26 -5.06 120.51 119.70 1r7a n ALA 488 Ca -0.02 -0.88 0.00 0.00 0.00 0.00 0.00 53.44 52.54 1r7a n ALA 488 Cb 0.13 -0.97 0.00 0.00 0.00 0.00 0.00 19.45 18.61 1r7a n ALA 488 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1r7a n GLY 489 N 1.35 -0.57 3.82 0.00 0.00 -0.66 -4.98 105.19 104.16 1r7a n GLY 489 Ca 0.18 -1.95 -0.37 0.00 0.00 0.00 0.00 46.02 43.88 1r7a n GLY 489 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1r7a s ASP 490 N -4.00 7.00 0.12 1.61 1.01 -1.26 -1.32 116.67 119.83 1r7a s ASP 490 Ca 0.00 1.25 -0.00 0.00 0.71 0.00 0.00 52.55 54.51 1r7a s ASP 490 Cb 0.00 -2.35 -0.04 0.00 1.01 0.00 0.00 42.92 41.53 1r7a s ASP 490 CO 0.00 0.17 0.01 -1.00 0.21 0.00 0.00 175.17 174.56 1r7a s HIS 491 N -1.30 0.86 -0.25 4.23 3.76 0.10 -4.99 115.29 117.71 1r7a s HIS 491 Ca 0.35 -1.11 -0.20 0.00 -0.15 0.00 0.00 55.06 53.94 1r7a s HIS 491 Cb -0.18 -0.51 0.07 0.00 1.11 0.00 0.00 32.58 33.07 1r7a s HIS 491 CO 0.20 -0.38 0.65 0.50 -0.85 0.00 0.00 174.74 174.86 1r7a s ARG 492 N -3.97 0.73 -0.09 1.40 3.52 -1.26 -1.57 118.95 117.71 1r7a s ARG 492 Ca 0.19 0.98 0.02 0.00 -0.13 0.00 0.00 55.73 56.79 1r7a s ARG 492 Cb 0.07 0.29 0.01 0.00 -1.56 0.00 0.00 34.95 33.76 1r7a s ARG 492 CO -0.01 -0.11 -0.15 0.45 -0.81 0.00 0.00 175.30 174.67 1r7a s SER 493 N 0.75 2.20 -0.03 -2.12 0.15 0.86 -4.99 113.70 110.52 1r7a s SER 493 Ca -0.03 -0.38 0.13 0.00 0.70 0.00 0.00 55.95 56.37 1r7a s SER 493 Cb -0.05 -1.00 0.41 0.00 -1.71 0.00 0.00 66.02 63.67 1r7a s SER 493 CO -0.05 0.04 1.34 0.47 1.20 0.00 0.00 173.24 176.24 1r7a n ASP 494 N 3.94 3.30 -3.16 5.45 8.00 -1.26 -0.63 116.55 132.18 1r7a n ASP 494 Ca -0.21 -2.14 0.03 0.00 0.71 0.00 0.00 54.79 53.19 1r7a n ASP 494 Cb 0.52 -0.32 -0.00 0.00 -0.02 0.00 0.00 41.12 41.29 1r7a n ASP 494 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1r7a s ASP 495 N -1.09 -1.61 0.24 -2.24 -1.08 -1.26 -4.73 116.67 104.89 1r7a s ASP 495 Ca 0.31 -0.04 0.20 0.00 -0.52 0.00 0.00 52.55 52.50 1r7a s ASP 495 Cb 0.18 2.02 0.94 0.00 -1.46 0.00 0.00 42.92 44.60 1r7a s ASP 495 CO 0.18 -0.27 1.61 0.18 0.52 0.00 0.00 175.17 177.39 1r7a n LEU 496 N 5.19 0.51 -0.10 -1.34 4.77 -1.26 -0.31 117.00 124.45 1r7a n LEU 496 Ca 0.06 0.68 -0.20 0.00 -0.03 0.00 0.00 56.01 56.52 1r7a n LEU 496 Cb 0.55 -0.67 -0.09 0.00 -2.33 0.00 0.00 43.42 40.88 1r7a n LEU 496 CO -0.04 -0.69 -0.67 -0.38 -1.33 0.00 0.00 177.39 174.27 1r7a n ILE 497 N -2.12 1.51 0.09 -0.08 2.08 -1.26 -3.60 119.36 115.98 1r7a n ILE 497 Ca 0.01 -0.04 -0.04 0.00 0.56 0.00 0.00 62.75 63.23 1r7a n ILE 497 Cb 0.12 -2.08 0.15 0.00 -0.75 0.00 0.00 39.64 37.09 1r7a n ILE 497 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1r7a h ALA 498 N -0.69 0.94 -2.21 -1.39 0.00 -1.91 -3.38 119.26 110.61 1r7a h ALA 498 Ca -0.34 -0.50 -0.58 0.00 0.00 0.00 0.00 54.91 53.49 1r7a h ALA 498 Cb 1.22 -0.09 -0.39 0.00 0.00 0.00 0.00 17.79 18.53 1r7a h ALA 498 CO -0.21 0.69 -0.97 -1.71 0.00 0.00 0.00 179.25 177.05 1r7a n ASN 499 N -3.92 0.57 -4.76 0.00 5.15 0.57 -5.09 115.26 107.80 1r7a n ASN 499 Ca -0.02 -2.71 -0.39 0.00 -0.60 0.00 0.00 54.58 50.86 1r7a n ASN 499 Cb 0.57 -0.62 0.03 0.00 -0.53 0.00 0.00 39.78 39.23 1r7a n ASN 499 CO 0.00 0.00 0.00 -2.84 1.40 0.00 0.00 177.26 175.82 1r7a s PRO 500 N -0.96 3.39 0.31 1.20 0.02 -1.24 -4.48 135.00 133.25 1r7a s PRO 500 Ca 0.34 2.22 -0.28 0.00 0.02 0.00 0.00 61.00 63.30 1r7a s PRO 500 Cb 0.11 -2.40 -0.09 0.00 0.02 0.00 0.00 34.50 32.14 1r7a s PRO 500 CO -0.13 -0.99 1.06 -1.25 -0.33 0.00 0.00 177.00 175.37 1r7a s PRO 501 N -2.73 4.51 -0.07 5.54 0.04 -1.26 -5.05 135.00 135.97 1r7a s PRO 501 Ca 0.67 1.67 -0.01 0.00 0.04 0.00 0.00 61.00 63.37 1r7a s PRO 501 Cb -0.40 -2.99 0.03 0.00 0.04 0.00 0.00 34.50 31.18 1r7a s PRO 501 CO 0.48 0.13 -0.01 0.08 0.04 0.00 0.00 177.00 177.72 1r7a s VAL 502 N -1.33 0.47 0.16 -0.36 1.01 -1.26 -4.68 120.40 114.41 1r7a s VAL 502 Ca 0.48 0.05 -0.31 0.00 0.00 0.00 0.00 61.98 62.21 1r7a s VAL 502 Cb -0.28 -0.60 -0.09 0.00 0.00 0.00 0.00 36.38 35.42 1r7a s VAL 502 CO 0.36 0.27 1.40 -0.69 0.00 0.00 0.00 175.10 176.43 1r7a s VAL 503 N 1.86 3.12 -2.55 2.92 1.01 -1.26 -5.13 120.40 120.37 1r7a s VAL 503 Ca 0.04 0.85 0.28 0.00 0.00 0.00 0.00 61.98 63.14 1r7a s VAL 503 Cb -0.12 -3.54 0.51 0.00 0.00 0.00 0.00 36.38 33.23 1r7a s VAL 503 CO -0.05 0.09 1.70 0.00 0.00 0.00 0.00 175.10 176.83