#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pfr s TYR 2 N 0.00 3.02 0.07 0.00 5.04 -1.26 -5.01 117.35 119.21 1pfr s TYR 2 Ca 0.00 -0.10 0.04 0.00 -2.44 0.00 0.00 57.07 54.57 1pfr s TYR 2 Cb 0.00 -1.85 -0.03 0.00 0.35 0.00 0.00 41.96 40.43 1pfr s TYR 2 CO 0.00 0.18 -0.12 -0.08 -1.34 0.00 0.00 175.55 174.19 1pfr s THR 3 N -0.25 0.94 -1.56 4.34 -1.32 -1.26 -5.02 115.64 111.52 1pfr s THR 3 Ca 0.04 -1.29 0.29 0.00 -1.21 0.00 0.00 61.69 59.52 1pfr s THR 3 Cb -0.13 -0.98 0.57 0.00 -1.51 0.00 0.00 72.50 70.45 1pfr s THR 3 CO 0.02 -0.30 2.00 0.35 -2.21 0.00 0.00 174.62 174.48 1pfr n THR 4 N 1.24 0.06 -3.07 5.08 -2.24 -1.26 -4.49 114.28 109.60 1pfr n THR 4 Ca -0.21 0.02 0.03 0.00 -2.27 0.00 0.00 64.05 61.61 1pfr n THR 4 Cb 0.55 -0.55 -0.00 0.00 -2.10 0.00 0.00 70.33 68.22 1pfr n THR 4 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 1pfr s PHE 5 N -2.44 -1.18 0.34 4.78 2.19 -1.26 -4.87 117.98 115.54 1pfr s PHE 5 Ca 0.31 0.38 -0.28 0.00 0.33 0.00 0.00 56.93 57.66 1pfr s PHE 5 Cb 0.19 0.21 -0.10 0.00 -1.31 0.00 0.00 43.02 42.01 1pfr s PHE 5 CO 0.41 -0.75 1.30 -1.54 1.83 0.00 0.00 175.22 176.46 1pfr s SER 6 N 2.27 6.72 0.00 6.13 1.04 -1.26 -4.92 113.70 123.68 1pfr s SER 6 Ca 0.16 2.67 0.28 0.00 0.48 0.00 0.00 55.95 59.54 1pfr s SER 6 Cb -0.03 -2.65 1.08 0.00 0.10 0.00 0.00 66.02 64.53 1pfr s SER 6 CO -0.16 -0.57 1.76 1.67 0.98 0.00 0.00 173.24 176.92 1pfr n GLN 7 N 0.70 1.37 -3.06 4.02 7.27 -1.26 -4.73 117.38 121.69 1pfr n GLN 7 Ca 0.01 -0.73 -0.40 0.00 0.07 0.00 0.00 57.00 55.94 1pfr n GLN 7 Cb 0.42 -1.48 -0.05 0.00 2.41 0.00 0.00 30.24 31.53 1pfr n GLN 7 CO 0.00 0.00 0.00 0.99 0.07 0.00 0.00 177.06 178.12 1pfr s THR 8 N -2.13 4.98 -0.29 1.69 2.01 -1.26 -5.00 115.64 115.63 1pfr s THR 8 Ca 0.36 1.30 -0.29 0.00 0.31 0.00 0.00 61.69 63.37 1pfr s THR 8 Cb 0.21 -3.99 -0.00 0.00 0.01 0.00 0.00 72.50 68.72 1pfr s THR 8 CO 0.38 0.09 1.37 -0.75 -0.69 0.00 0.00 174.62 175.02 1pfr s LYS 9 N 1.97 3.87 0.23 4.92 2.20 -1.26 -4.97 119.74 126.70 1pfr s LYS 9 Ca 0.31 1.30 0.09 0.00 -0.36 0.00 0.00 55.97 57.31 1pfr s LYS 9 Cb -0.16 -3.92 -0.05 0.00 -1.51 0.00 0.00 37.83 32.19 1pfr s LYS 9 CO 0.11 -1.18 -0.16 0.54 -0.36 0.00 0.00 175.35 174.29 1pfr s ASN 10 N 3.13 2.94 -0.68 1.43 6.03 -1.26 -5.09 114.94 121.44 1pfr s ASN 10 Ca 0.59 -1.03 -0.24 0.00 -1.03 0.00 0.00 52.86 51.16 1pfr s ASN 10 Cb -0.18 -0.20 0.06 0.00 -3.03 0.00 0.00 41.25 37.91 1pfr s ASN 10 CO 0.25 -0.10 1.04 -0.62 -2.03 0.00 0.00 177.10 175.64 1pfr s ASP 11 N -3.39 6.18 0.51 3.54 -1.08 -1.26 -4.89 116.67 116.28 1pfr s ASP 11 Ca 0.25 -0.88 0.34 0.00 -0.52 0.00 0.00 52.55 51.74 1pfr s ASP 11 Cb -0.02 -2.45 1.78 0.00 -1.46 0.00 0.00 42.92 40.77 1pfr s ASP 11 CO 0.10 -1.53 2.05 1.56 0.52 0.00 0.00 175.17 177.86 1pfr h GLN 12 N 9.67 0.00 0.00 4.34 4.20 -1.97 -1.40 115.11 129.95 1pfr h GLN 12 Ca -0.28 0.00 -0.16 0.00 0.06 0.00 0.00 58.65 58.27 1pfr h GLN 12 Cb 1.06 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.82 1pfr h GLN 12 CO 1.21 0.00 -0.79 -0.07 -0.67 0.00 0.00 178.83 178.51 1pfr h LEU 13 N 0.00 0.00 -0.33 1.46 3.38 -1.95 -3.30 115.31 114.57 1pfr h LEU 13 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1pfr h LEU 13 Cb 0.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.85 1pfr h LEU 13 CO 0.00 0.79 -0.29 0.29 0.09 0.00 0.00 178.44 179.32 1pfr n LYS 14 N -3.41 0.59 -2.81 1.13 5.02 -0.53 -4.85 118.16 113.30 1pfr n LYS 14 Ca 0.00 -0.33 -0.36 0.00 -2.02 0.00 0.00 58.31 55.61 1pfr n LYS 14 Cb 0.81 -1.49 -0.07 0.00 -0.02 0.00 0.00 35.03 34.26 1pfr n LYS 14 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1pfr s GLU 15 N -2.63 4.48 1.02 1.97 2.56 -1.20 -5.06 118.70 119.84 1pfr s GLU 15 Ca 0.21 1.25 -0.14 0.00 0.00 0.00 0.00 54.97 56.29 1pfr s GLU 15 Cb 0.19 -2.67 0.20 0.00 2.00 0.00 0.00 34.13 33.85 1pfr s GLU 15 CO 0.56 0.22 1.12 -1.25 -0.56 0.00 0.00 175.26 175.35 1pfr s PRO 16 N -2.30 0.26 0.27 4.30 0.04 -1.26 -4.89 135.00 131.42 1pfr s PRO 16 Ca 0.52 0.29 0.03 0.00 0.04 0.00 0.00 61.00 61.88 1pfr s PRO 16 Cb -0.16 -1.74 0.39 0.00 0.04 0.00 0.00 34.50 33.03 1pfr s PRO 16 CO 0.21 -2.80 1.69 0.52 0.04 0.00 0.00 177.00 176.66 1pfr h MET 17 N -1.93 0.42 -4.81 4.56 2.86 -1.93 -3.38 114.93 110.72 1pfr h MET 17 Ca -0.52 -0.18 -0.32 0.00 -2.06 0.00 0.00 59.70 56.63 1pfr h MET 17 Cb 1.32 -0.01 -0.21 0.00 0.06 0.00 0.00 31.60 32.76 1pfr h MET 17 CO 0.54 0.70 -0.75 -0.06 1.06 0.00 0.00 176.91 178.40 1pfr s PHE 18 N -4.33 0.84 -0.49 -0.22 0.08 -1.26 -1.65 117.98 110.96 1pfr s PHE 18 Ca -0.06 -0.49 0.00 0.00 0.12 0.00 0.00 56.93 56.50 1pfr s PHE 18 Cb 0.13 -0.49 0.00 0.00 -0.57 0.00 0.00 43.02 42.09 1pfr s PHE 18 CO 0.79 -0.04 0.00 1.19 -0.10 0.00 0.00 175.22 177.06 1pfr n PHE 19 N 1.38 0.00 -1.77 0.36 3.72 0.12 -4.87 117.46 116.40 1pfr n PHE 19 Ca -0.22 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.18 1pfr n PHE 19 Cb 0.55 -1.20 0.00 0.00 -0.94 0.00 0.00 39.48 37.89 1pfr n PHE 19 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1pfr n GLY 20 N -2.04 1.59 3.76 1.37 0.00 -1.26 -5.02 105.19 103.60 1pfr n GLY 20 Ca -0.05 -1.99 -0.41 0.00 0.00 0.00 0.00 46.02 43.58 1pfr n GLY 20 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1pfr s GLN 21 N 2.60 4.47 0.59 1.61 0.74 -1.26 -4.80 119.66 123.60 1pfr s GLN 21 Ca 0.00 2.04 -0.20 0.00 0.05 0.00 0.00 55.36 57.25 1pfr s GLN 21 Cb 0.00 -3.13 -0.04 0.00 1.10 0.00 0.00 33.01 30.94 1pfr s GLN 21 CO 0.00 -0.04 1.30 -2.30 -0.55 0.00 0.00 175.29 173.70 1pfr n PRO 22 N 1.17 1.42 -2.13 1.67 -0.02 -1.26 -4.42 135.00 131.43 1pfr n PRO 22 Ca 0.00 0.53 -0.42 0.00 -2.02 0.00 0.00 63.50 61.59 1pfr n PRO 22 Cb 0.43 -2.52 -0.03 0.00 -0.02 0.00 0.00 33.50 31.36 1pfr n PRO 22 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1pfr s VAL 23 N -1.34 3.48 0.00 -1.45 1.01 -1.25 -4.53 120.40 116.32 1pfr s VAL 23 Ca 0.76 0.89 0.00 0.00 0.00 0.00 0.00 61.98 63.63 1pfr s VAL 23 Cb -0.41 -3.57 0.00 0.00 0.00 0.00 0.00 36.38 32.40 1pfr s VAL 23 CO 0.46 -0.00 0.00 -0.46 0.00 0.00 0.00 175.10 175.10 1pfr n ASN 24 N 5.41 0.00 -4.72 3.32 0.23 -1.26 -4.66 115.26 113.58 1pfr n ASN 24 Ca 0.14 0.00 -0.41 0.00 -0.53 0.00 0.00 54.58 53.78 1pfr n ASN 24 Cb 0.43 0.00 -0.04 0.00 -2.08 0.00 0.00 39.78 38.09 1pfr n ASN 24 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 1pfr s VAL 25 N 0.00 4.91 -0.54 3.53 0.11 -1.26 -4.95 120.40 122.20 1pfr s VAL 25 Ca 0.00 1.81 -0.20 0.00 -2.93 0.00 0.00 61.98 60.66 1pfr s VAL 25 Cb 0.00 -4.20 0.06 0.00 -1.53 0.00 0.00 36.38 30.71 1pfr s VAL 25 CO 0.00 0.22 0.73 0.00 -3.33 0.00 0.00 175.10 172.71 1pfr s ALA 26 N 0.81 3.32 0.14 1.54 0.00 -1.26 -4.86 121.76 121.45 1pfr s ALA 26 Ca 0.46 -1.74 0.07 0.00 0.00 0.00 0.00 51.96 50.74 1pfr s ALA 26 Cb -0.20 -3.50 -0.04 0.00 0.00 0.00 0.00 23.12 19.39 1pfr s ALA 26 CO 0.24 -2.20 -0.15 -0.98 0.00 0.00 0.00 175.76 172.67 1pfr s ARG 27 N 3.01 1.10 -0.04 0.00 1.70 -1.26 -5.05 118.95 118.41 1pfr s ARG 27 Ca 0.18 -1.30 0.22 0.00 -0.47 0.00 0.00 55.73 54.35 1pfr s ARG 27 Cb -0.19 -1.00 0.41 0.00 -0.57 0.00 0.00 34.95 33.60 1pfr s ARG 27 CO 0.12 0.19 1.17 0.66 -1.08 0.00 0.00 175.30 176.37 1pfr n TYR 28 N 0.40 0.00 0.60 5.89 4.01 -1.26 -4.71 117.16 122.10 1pfr n TYR 28 Ca -0.14 -0.69 0.12 0.00 -0.16 0.00 0.00 57.90 57.03 1pfr n TYR 28 Cb 0.57 -0.17 0.18 0.00 -0.31 0.00 0.00 39.34 39.62 1pfr n TYR 28 CO 0.00 0.00 0.00 -0.40 -0.46 0.00 0.00 176.86 176.00 1pfr n ASP 29 N 0.13 0.68 -3.75 7.72 5.75 -1.26 -4.90 116.55 120.93 1pfr n ASP 29 Ca 0.08 0.11 -0.13 0.00 -0.01 0.00 0.00 54.79 54.84 1pfr n ASP 29 Cb 1.03 0.15 -0.08 0.00 -1.03 0.00 0.00 41.12 41.19 1pfr n ASP 29 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1pfr s GLN 30 N -3.15 0.74 -0.00 0.11 -2.07 -1.26 -5.18 119.66 108.84 1pfr s GLN 30 Ca 0.07 -0.29 -0.13 0.00 -1.82 0.00 0.00 55.36 53.19 1pfr s GLN 30 Cb 0.14 0.33 0.02 0.00 -1.09 0.00 0.00 33.01 32.40 1pfr s GLN 30 CO 0.72 -0.22 0.27 1.14 -1.32 0.00 0.00 175.29 175.87 1pfr s GLN 31 N -1.79 0.65 0.06 9.60 0.00 -1.26 -4.93 119.66 121.98 1pfr s GLN 31 Ca -0.10 -0.30 -0.12 0.00 -0.00 0.00 0.00 55.36 54.84 1pfr s GLN 31 Cb -0.03 0.28 -0.30 0.00 0.00 0.00 0.00 33.01 32.96 1pfr s GLN 31 CO 0.02 -0.18 1.09 -0.22 0.00 0.00 0.00 175.29 176.00 1pfr h LYS 32 N 3.85 0.50 -4.00 9.60 3.64 -1.88 -3.41 116.57 124.87 1pfr h LYS 32 Ca -0.30 -0.76 -0.59 0.00 -1.27 0.00 0.00 60.65 57.72 1pfr h LYS 32 Cb 1.18 0.27 -0.39 0.00 -0.41 0.00 0.00 32.23 32.88 1pfr h LYS 32 CO 0.41 1.35 -0.76 0.71 -2.27 0.00 0.00 179.45 178.89 1pfr s TYR 33 N -2.79 2.12 0.55 1.91 2.02 -1.26 -5.00 117.35 114.90 1pfr s TYR 33 Ca -0.08 -1.76 0.24 0.00 -0.37 0.00 0.00 57.07 55.10 1pfr s TYR 33 Cb 0.06 -1.71 1.46 0.00 -0.40 0.00 0.00 41.96 41.36 1pfr s TYR 33 CO 0.92 -0.80 2.06 0.22 -1.57 0.00 0.00 175.55 176.38 1pfr h ASP 34 N 8.00 0.00 -0.57 2.29 3.58 -2.00 -2.97 116.42 124.75 1pfr h ASP 34 Ca -0.14 0.00 0.11 0.00 0.42 0.00 0.00 57.03 57.42 1pfr h ASP 34 Cb 1.05 0.00 -0.09 0.00 1.72 0.00 0.00 39.33 42.01 1pfr h ASP 34 CO 0.43 0.00 0.04 -0.29 -2.88 0.00 0.00 179.24 176.55 1pfr h ILE 35 N 0.00 0.58 -0.88 2.25 6.09 -1.98 0.94 117.51 124.51 1pfr h ILE 35 Ca 0.14 -0.06 -0.03 0.00 -1.37 0.00 0.00 64.86 63.55 1pfr h ILE 35 Cb 0.63 0.40 -0.04 0.00 0.47 0.00 0.00 36.82 38.28 1pfr h ILE 35 CO -0.00 0.03 0.44 -0.26 -3.07 0.00 0.00 178.15 175.29 1pfr h PHE 36 N 0.16 1.24 -0.45 2.19 0.04 -1.88 0.72 116.94 118.97 1pfr h PHE 36 Ca 0.30 -0.05 -0.07 0.00 2.80 0.00 0.00 57.97 60.95 1pfr h PHE 36 Cb 0.46 -0.39 -0.02 0.00 2.20 0.00 0.00 35.95 38.21 1pfr h PHE 36 CO -0.31 0.88 0.02 1.49 -0.60 0.00 0.00 178.31 179.79 1pfr h GLU 37 N 1.24 0.78 -0.73 1.51 4.57 -1.52 -1.87 114.58 118.57 1pfr h GLU 37 Ca 0.30 -0.24 0.01 0.00 -1.18 0.00 0.00 59.36 58.26 1pfr h GLU 37 Cb 0.08 -0.08 -0.04 0.00 -0.16 0.00 0.00 28.75 28.56 1pfr h GLU 37 CO -0.04 0.83 0.48 0.87 -1.18 0.00 0.00 179.01 179.97 1pfr h LYS 38 N 0.63 0.94 -0.55 1.92 1.57 -0.15 -1.14 116.57 119.79 1pfr h LYS 38 Ca 0.13 -0.06 -0.07 0.00 -1.87 0.00 0.00 60.65 58.78 1pfr h LYS 38 Cb 0.47 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.54 1pfr h LYS 38 CO 0.02 0.62 0.04 -0.07 -0.57 0.00 0.00 179.45 179.49 1pfr h LEU 39 N 0.97 0.86 -0.42 2.94 3.38 -0.46 -1.32 115.31 121.26 1pfr h LEU 39 Ca 0.27 -0.20 -0.06 0.00 0.09 0.00 0.00 57.88 57.98 1pfr h LEU 39 Cb -0.07 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.43 1pfr h LEU 39 CO -0.06 0.90 0.01 0.40 0.09 0.00 0.00 178.44 179.77 1pfr h ILE 40 N 0.84 1.26 -0.04 1.22 2.04 -0.51 -1.11 117.51 121.21 1pfr h ILE 40 Ca 0.17 -1.00 0.01 0.00 1.00 0.00 0.00 64.86 65.04 1pfr h ILE 40 Cb 0.44 1.08 -0.01 0.00 -0.74 0.00 0.00 36.82 37.58 1pfr h ILE 40 CO 0.02 0.34 -0.03 -0.33 0.00 0.00 0.00 178.15 178.15 1pfr h GLU 41 N 0.57 -0.04 -0.45 2.37 5.08 -0.93 -1.71 114.58 119.48 1pfr h GLU 41 Ca 0.12 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.44 1pfr h GLU 41 Cb 0.47 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.70 1pfr h GLU 41 CO 0.02 -0.02 0.11 0.87 -1.00 0.00 0.00 179.01 178.98 1pfr h LYS 42 N -0.04 0.72 -0.84 2.33 1.57 -1.14 -2.26 116.57 116.91 1pfr h LYS 42 Ca 0.03 -0.18 0.04 0.00 -1.87 0.00 0.00 60.65 58.67 1pfr h LYS 42 Cb 0.07 -0.09 -0.05 0.00 0.08 0.00 0.00 32.23 32.24 1pfr h LYS 42 CO -0.06 0.72 0.55 0.37 -0.57 0.00 0.00 179.45 180.47 1pfr h GLN 43 N 0.60 0.98 -0.40 3.15 5.75 -1.08 0.21 115.11 124.32 1pfr h GLN 43 Ca 0.14 -0.06 -0.13 0.00 -0.15 0.00 0.00 58.65 58.46 1pfr h GLN 43 Cb 0.33 -0.22 -0.01 0.00 1.07 0.00 0.00 27.48 28.64 1pfr h GLN 43 CO 0.00 0.65 -0.25 -0.07 -2.65 0.00 0.00 178.83 176.51 1pfr h LEU 44 N 1.01 0.85 -1.50 -2.39 3.38 -0.91 -2.75 115.31 112.99 1pfr h LEU 44 Ca 0.34 -0.33 -0.05 0.00 0.09 0.00 0.00 57.88 57.94 1pfr h LEU 44 Cb 0.09 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 1pfr h LEU 44 CO -0.11 1.06 -0.22 0.77 0.09 0.00 0.00 178.44 180.03 1pfr h SER 45 N 0.71 0.00 0.22 -0.43 4.64 -0.74 -1.89 113.55 116.06 1pfr h SER 45 Ca 0.09 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 1pfr h SER 45 Cb 0.79 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.88 1pfr h SER 45 CO 0.07 0.22 -0.10 0.49 -0.87 0.00 0.00 176.83 176.64 1pfr n PHE 46 N -3.69 0.00 -1.48 4.77 3.72 -0.03 -4.97 117.46 115.78 1pfr n PHE 46 Ca -0.01 0.00 -0.57 0.00 -0.05 0.00 0.00 57.45 56.82 1pfr n PHE 46 Cb 0.34 -0.11 -0.07 0.00 -0.94 0.00 0.00 39.48 38.70 1pfr n PHE 46 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 1pfr n PHE 47 N -0.67 0.45 -3.83 1.38 7.35 -0.71 -4.97 117.46 116.45 1pfr n PHE 47 Ca 0.16 1.04 -0.09 0.00 -0.76 0.00 0.00 57.45 57.80 1pfr n PHE 47 Cb 0.29 -2.07 -0.06 0.00 0.35 0.00 0.00 39.48 37.99 1pfr n PHE 47 CO 0.00 0.00 0.00 1.67 -0.76 0.00 0.00 176.76 177.67 1pfr s TRP 48 N -0.17 0.12 -0.08 -5.13 1.48 -1.26 -5.13 118.94 108.77 1pfr s TRP 48 Ca 0.86 -0.49 0.03 0.00 -1.06 0.00 0.00 56.10 55.44 1pfr s TRP 48 Cb -1.21 0.08 0.01 0.00 -1.16 0.00 0.00 33.47 31.18 1pfr s TRP 48 CO 0.57 -0.70 -0.18 1.03 -4.06 0.00 0.00 176.95 173.61 1pfr s ARG 49 N -3.89 2.29 0.27 3.25 0.52 -1.26 -5.02 118.95 115.11 1pfr s ARG 49 Ca 0.10 -0.64 -0.02 0.00 -0.52 0.00 0.00 55.73 54.65 1pfr s ARG 49 Cb 0.03 -1.81 0.41 0.00 0.52 0.00 0.00 34.95 34.10 1pfr s ARG 49 CO -0.06 0.12 1.90 -1.35 0.02 0.00 0.00 175.30 175.93 1pfr h PRO 50 N 6.78 1.14 -0.79 3.54 0.11 -1.95 -2.00 132.00 138.83 1pfr h PRO 50 Ca -0.26 -0.07 0.23 0.00 0.11 0.00 0.00 66.00 66.01 1pfr h PRO 50 Cb 1.21 -0.26 -0.03 0.00 0.11 0.00 0.00 31.00 32.03 1pfr h PRO 50 CO 0.47 0.76 0.67 0.93 -0.21 0.00 0.00 178.00 180.62 1pfr h GLU 51 N 1.18 0.00 -0.42 1.05 3.07 -1.95 -1.48 114.58 116.02 1pfr h GLU 51 Ca 0.41 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.27 1pfr h GLU 51 Cb 0.11 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.02 1pfr h GLU 51 CO -0.15 0.00 0.00 -0.85 -1.40 0.00 0.00 179.01 176.61 1pfr n GLU 52 N -3.94 1.99 -4.18 2.33 0.28 -0.75 -4.74 120.64 111.63 1pfr n GLU 52 Ca 0.16 -1.39 -0.34 0.00 -0.16 0.00 0.00 57.16 55.42 1pfr n GLU 52 Cb 0.95 -1.35 -0.12 0.00 1.43 0.00 0.00 31.44 32.35 1pfr n GLU 52 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 1pfr s VAL 53 N -1.53 4.03 -0.27 3.84 1.01 -0.56 -5.07 120.40 121.85 1pfr s VAL 53 Ca 0.26 -0.30 -0.25 0.00 0.00 0.00 0.00 61.98 61.69 1pfr s VAL 53 Cb 0.14 -2.80 0.00 0.00 0.00 0.00 0.00 36.38 33.72 1pfr s VAL 53 CO 0.16 0.45 0.87 1.51 0.00 0.00 0.00 175.10 178.10 1pfr s ASP 54 N 0.72 6.81 0.00 3.32 -4.77 -1.26 -4.91 116.67 116.58 1pfr s ASP 54 Ca -0.00 0.95 0.25 0.00 -3.30 0.00 0.00 52.55 50.44 1pfr s ASP 54 Cb -0.14 -2.45 0.36 0.00 -1.09 0.00 0.00 42.92 39.60 1pfr s ASP 54 CO 0.02 -0.61 1.33 0.52 0.70 0.00 0.00 175.17 177.13 1pfr n VAL 55 N 5.43 0.00 -0.28 2.11 0.31 -1.26 -4.45 118.33 120.19 1pfr n VAL 55 Ca 0.06 -0.28 0.09 0.00 -0.01 0.00 0.00 64.34 64.21 1pfr n VAL 55 Cb 0.47 1.01 0.25 0.00 -0.91 0.00 0.00 33.84 34.66 1pfr n VAL 55 CO 0.00 0.00 0.00 0.77 -1.32 0.00 0.00 176.83 176.28 1pfr h SER 56 N 2.66 0.27 0.90 4.52 4.64 -1.91 0.45 113.55 125.09 1pfr h SER 56 Ca 0.00 0.14 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 1pfr h SER 56 Cb 0.72 0.13 0.00 0.00 -0.31 0.00 0.00 62.40 62.94 1pfr h SER 56 CO 0.00 0.04 0.00 -1.14 -0.87 0.00 0.00 176.83 174.86 1pfr n ARG 57 N -5.04 0.18 0.23 4.77 0.00 -1.26 -2.45 116.66 113.09 1pfr n ARG 57 Ca 0.18 0.34 0.16 0.00 -0.00 0.00 0.00 57.85 58.53 1pfr n ARG 57 Cb 0.54 -1.80 0.71 0.00 0.00 0.00 0.00 32.46 31.91 1pfr n ARG 57 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.63 177.19 1pfr h ASP 58 N 0.00 0.00 -0.12 6.15 5.19 -1.24 -2.89 116.42 123.51 1pfr h ASP 58 Ca 0.00 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.40 1pfr h ASP 58 Cb 0.45 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.95 1pfr h ASP 58 CO 0.00 0.00 0.03 -0.09 -3.12 0.00 0.00 179.24 176.06 1pfr h ARG 59 N 0.00 0.19 -0.31 3.56 9.65 -1.59 -0.64 114.38 125.25 1pfr h ARG 59 Ca 0.00 -0.05 -0.14 0.00 -1.10 0.00 0.00 59.98 58.69 1pfr h ARG 59 Cb 0.32 -0.03 -0.01 0.00 -1.39 0.00 0.00 29.97 28.86 1pfr h ARG 59 CO 0.00 0.35 -0.38 0.82 2.80 0.00 0.00 179.97 183.56 1pfr h ILE 60 N 0.00 1.29 -0.17 1.20 2.04 -1.72 -1.14 117.51 119.01 1pfr h ILE 60 Ca 0.04 -1.55 -0.02 0.00 1.00 0.00 0.00 64.86 64.33 1pfr h ILE 60 Cb 0.24 1.46 -0.01 0.00 -0.74 0.00 0.00 36.82 37.78 1pfr h ILE 60 CO -0.00 0.50 0.04 0.44 0.00 0.00 0.00 178.15 179.13 1pfr h ASP 61 N 0.59 0.25 -0.67 1.72 5.19 -1.44 -0.73 116.42 121.33 1pfr h ASP 61 Ca 0.05 -0.23 -0.04 0.00 -0.62 0.00 0.00 57.03 56.19 1pfr h ASP 61 Cb 0.92 -0.07 -0.03 0.00 0.18 0.00 0.00 39.33 40.33 1pfr h ASP 61 CO 0.08 0.41 0.26 0.22 -3.12 0.00 0.00 179.24 177.10 1pfr h TYR 62 N 0.08 1.03 -0.18 4.55 3.20 -1.03 -1.78 116.97 122.84 1pfr h TYR 62 Ca 0.05 -0.08 0.00 0.00 3.14 0.00 0.00 58.73 61.84 1pfr h TYR 62 Cb 0.26 -0.31 -0.01 0.00 1.54 0.00 0.00 36.73 38.22 1pfr h TYR 62 CO 0.01 0.81 0.12 0.37 -1.64 0.00 0.00 178.16 177.82 1pfr h GLN 63 N 0.95 0.23 -0.00 1.82 5.75 -0.98 -2.19 115.11 120.69 1pfr h GLN 63 Ca 0.22 -0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.71 1pfr h GLN 63 Cb 0.22 -0.05 0.00 0.00 1.07 0.00 0.00 27.48 28.72 1pfr h GLN 63 CO -0.02 0.16 -0.31 0.00 -2.65 0.00 0.00 178.83 176.01 1pfr n ALA 64 N -2.51 3.11 -1.17 3.38 0.00 -0.30 -4.92 120.51 118.10 1pfr n ALA 64 Ca -0.00 -0.28 -0.32 0.00 0.00 0.00 0.00 53.44 52.83 1pfr n ALA 64 Cb 0.08 -1.23 0.11 0.00 0.00 0.00 0.00 19.45 18.40 1pfr n ALA 64 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1pfr s LEU 65 N -2.90 3.13 0.64 0.00 1.43 -0.83 -4.96 118.68 115.18 1pfr s LEU 65 Ca 0.15 2.12 -0.16 0.00 -1.03 0.00 0.00 54.13 55.21 1pfr s LEU 65 Cb 0.18 -4.56 -0.01 0.00 0.03 0.00 0.00 46.19 41.83 1pfr s LEU 65 CO 0.62 -2.35 1.12 -2.84 0.23 0.00 0.00 176.35 173.13 1pfr s PRO 66 N -4.39 2.89 0.18 1.29 0.02 -1.26 -4.79 135.00 128.94 1pfr s PRO 66 Ca 0.68 1.48 -0.13 0.00 0.02 0.00 0.00 61.00 63.04 1pfr s PRO 66 Cb -0.23 -1.95 0.18 0.00 0.02 0.00 0.00 34.50 32.51 1pfr s PRO 66 CO 0.51 -1.20 1.71 1.49 -0.33 0.00 0.00 177.00 179.18 1pfr h GLU 67 N 0.29 0.19 0.00 5.54 4.57 -1.97 -1.32 114.58 121.88 1pfr h GLU 67 Ca -0.48 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 57.69 1pfr h GLU 67 Cb 1.25 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 29.80 1pfr h GLU 67 CO 0.54 0.12 0.00 1.12 -1.18 0.00 0.00 179.01 179.62 1pfr h HIS 68 N 0.19 0.00 0.08 0.92 2.07 -1.91 -1.87 115.15 114.63 1pfr h HIS 68 Ca 0.24 0.00 -0.26 0.00 -2.85 0.00 0.00 60.37 57.50 1pfr h HIS 68 Cb 0.33 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.30 1pfr h HIS 68 CO -0.25 0.00 -1.22 0.93 -3.07 0.00 0.00 177.93 174.32 1pfr h GLU 69 N 0.00 0.17 -0.68 5.12 5.08 -1.62 -2.85 114.58 119.80 1pfr h GLU 69 Ca 0.00 -0.29 -0.07 0.00 -1.00 0.00 0.00 59.36 58.00 1pfr h GLU 69 Cb 0.34 0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.67 1pfr h GLU 69 CO 0.00 1.11 0.17 0.87 -1.00 0.00 0.00 179.01 180.15 1pfr h LYS 70 N 0.05 1.09 -0.60 2.33 1.57 -0.58 -1.28 116.57 119.14 1pfr h LYS 70 Ca -0.11 -0.26 -0.01 0.00 -1.87 0.00 0.00 60.65 58.40 1pfr h LYS 70 Cb 1.91 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 34.05 1pfr h LYS 70 CO 0.17 0.97 0.34 1.25 -0.57 0.00 0.00 179.45 181.61 1pfr h HIS 71 N 1.02 0.81 0.12 -1.35 -0.00 -1.39 -0.52 115.15 113.84 1pfr h HIS 71 Ca 0.21 -0.01 -0.01 0.00 -0.00 0.00 0.00 60.37 60.57 1pfr h HIS 71 Cb 0.37 -0.26 0.00 0.00 -0.00 0.00 0.00 27.41 27.52 1pfr h HIS 71 CO 0.03 0.57 -0.06 0.82 -0.00 0.00 0.00 177.93 179.29 1pfr h ILE 72 N 0.81 0.95 -0.02 6.26 2.04 -1.32 0.30 117.51 126.53 1pfr h ILE 72 Ca 0.21 -0.27 0.03 0.00 1.00 0.00 0.00 64.86 65.83 1pfr h ILE 72 Cb 0.01 1.12 -0.03 0.00 -0.74 0.00 0.00 36.82 37.18 1pfr h ILE 72 CO -0.04 0.06 -0.15 0.15 0.00 0.00 0.00 178.15 178.17 1pfr h PHE 73 N -0.28 -0.40 -0.12 1.37 3.57 -0.96 -1.93 116.94 118.19 1pfr h PHE 73 Ca -0.02 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.48 1pfr h PHE 73 Cb 0.23 0.18 -0.00 0.00 2.79 0.00 0.00 35.95 39.14 1pfr h PHE 73 CO -0.03 -0.22 0.02 0.97 -2.23 0.00 0.00 178.31 176.82 1pfr h ILE 74 N -0.24 1.21 -0.98 1.41 6.09 -1.04 -2.29 117.51 121.66 1pfr h ILE 74 Ca 0.06 -0.66 0.10 0.00 -1.37 0.00 0.00 64.86 62.99 1pfr h ILE 74 Cb 0.32 1.41 -0.08 0.00 0.47 0.00 0.00 36.82 38.95 1pfr h ILE 74 CO -0.16 0.19 0.62 0.28 -3.07 0.00 0.00 178.15 176.01 1pfr h SER 75 N -0.01 0.92 -0.08 2.19 0.02 -0.28 -0.06 113.55 116.25 1pfr h SER 75 Ca 0.04 0.03 -0.00 0.00 -0.84 0.00 0.00 61.79 61.02 1pfr h SER 75 Cb 0.28 -0.15 -0.00 0.00 0.14 0.00 0.00 62.40 62.66 1pfr h SER 75 CO 0.00 0.52 0.05 -1.13 -1.14 0.00 0.00 176.83 175.13 1pfr h ASN 76 N 1.01 0.10 -0.85 3.07 -1.24 -1.26 -0.59 115.58 115.82 1pfr h ASN 76 Ca 0.46 -0.07 0.05 0.00 0.71 0.00 0.00 56.30 57.46 1pfr h ASN 76 Cb 0.41 -0.03 -0.05 0.00 0.73 0.00 0.00 38.32 39.38 1pfr h ASN 76 CO -0.22 0.14 0.55 0.25 -1.29 0.00 0.00 177.43 176.86 1pfr h LEU 77 N 0.05 0.85 -0.55 0.34 5.85 -0.55 1.00 115.31 122.30 1pfr h LEU 77 Ca 0.03 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.69 1pfr h LEU 77 Cb 0.06 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 40.89 1pfr h LEU 77 CO -0.00 0.56 0.11 0.11 -0.34 0.00 0.00 178.44 178.88 1pfr h LYS 78 N 0.98 0.90 -0.39 1.25 1.57 -0.65 -1.28 116.57 118.95 1pfr h LYS 78 Ca 0.35 -0.23 -0.05 0.00 -1.87 0.00 0.00 60.65 58.85 1pfr h LYS 78 Cb 0.16 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.34 1pfr h LYS 78 CO -0.12 0.86 0.04 -0.92 -0.57 0.00 0.00 179.45 178.74 1pfr h TYR 79 N 0.80 0.70 -0.55 -1.35 3.20 0.17 -2.26 116.97 117.67 1pfr h TYR 79 Ca 0.17 -0.11 -0.03 0.00 3.14 0.00 0.00 58.73 61.91 1pfr h TYR 79 Cb 0.38 -0.19 -0.03 0.00 1.54 0.00 0.00 36.73 38.43 1pfr h TYR 79 CO 0.03 0.71 0.23 1.96 -1.64 0.00 0.00 178.16 179.45 1pfr h GLN 80 N 0.49 0.79 -0.69 1.82 4.20 -0.58 -2.26 115.11 118.89 1pfr h GLN 80 Ca 0.12 -0.11 -0.06 0.00 0.06 0.00 0.00 58.65 58.66 1pfr h GLN 80 Cb 0.40 -0.14 -0.03 0.00 0.30 0.00 0.00 27.48 28.01 1pfr h GLN 80 CO 0.01 0.64 0.21 1.15 -0.67 0.00 0.00 178.83 180.17 1pfr h THR 81 N 0.79 1.25 0.67 -0.54 2.02 -1.07 -1.96 112.91 114.07 1pfr h THR 81 Ca 0.19 -0.87 -0.03 0.00 0.77 0.00 0.00 66.41 66.46 1pfr h THR 81 Cb 0.14 0.50 0.01 0.00 -1.74 0.00 0.00 68.15 67.06 1pfr h THR 81 CO -0.02 0.34 -0.32 0.25 0.37 0.00 0.00 175.52 176.14 1pfr h LEU 82 N 1.02 -0.76 -0.66 2.58 7.12 -0.85 -1.24 115.31 122.52 1pfr h LEU 82 Ca 0.22 -0.00 0.06 0.00 0.13 0.00 0.00 57.88 58.29 1pfr h LEU 82 Cb 0.30 0.20 -0.05 0.00 -0.53 0.00 0.00 40.66 40.57 1pfr h LEU 82 CO -0.01 -0.48 0.37 -0.07 -0.13 0.00 0.00 178.44 178.12 1pfr h LEU 83 N -1.00 0.54 -0.43 2.25 3.38 -1.41 -1.93 115.31 116.71 1pfr h LEU 83 Ca -0.09 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 1pfr h LEU 83 Cb 0.72 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.39 1pfr h LEU 83 CO 0.15 0.35 -0.12 0.44 0.09 0.00 0.00 178.44 179.35 1pfr h ASP 84 N 0.68 0.00 -0.21 -0.43 3.32 -1.39 -0.62 116.42 117.77 1pfr h ASP 84 Ca 0.30 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 57.27 1pfr h ASP 84 Cb 0.19 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.73 1pfr h ASP 84 CO -0.18 0.12 -0.18 0.28 -1.72 0.00 0.00 179.24 177.56 1pfr h SER 85 N 0.00 0.53 -0.10 6.45 0.02 -0.69 -0.77 113.55 118.99 1pfr h SER 85 Ca -0.00 -0.46 -0.13 0.00 -0.84 0.00 0.00 61.79 60.36 1pfr h SER 85 Cb 0.94 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 63.33 1pfr h SER 85 CO 0.02 0.87 -0.37 0.40 -1.14 0.00 0.00 176.83 176.61 1pfr h ILE 86 N 0.19 1.29 0.00 3.27 2.04 -1.25 -3.21 117.51 119.84 1pfr h ILE 86 Ca 0.04 -1.52 0.00 0.00 1.00 0.00 0.00 64.86 64.38 1pfr h ILE 86 Cb 0.71 1.49 0.00 0.00 -0.74 0.00 0.00 36.82 38.28 1pfr h ILE 86 CO 0.05 0.49 0.00 1.56 0.00 0.00 0.00 178.15 180.24 1pfr h GLN 87 N 0.51 0.00 -0.06 2.37 1.08 -0.91 -1.08 115.11 117.01 1pfr h GLN 87 Ca 0.05 0.00 -0.22 0.00 -1.45 0.00 0.00 58.65 57.03 1pfr h GLN 87 Cb 0.88 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 28.32 1pfr h GLN 87 CO 0.08 0.00 -0.82 0.78 -0.95 0.00 0.00 178.83 177.91 1pfr h GLY 88 N 3.28 0.74 0.35 3.46 0.00 -1.14 -3.39 103.07 106.36 1pfr h GLY 88 Ca 0.00 -1.18 -0.26 0.00 0.00 0.00 0.00 47.33 45.89 1pfr h GLY 88 CO 0.00 1.04 -1.38 0.07 0.00 0.00 0.00 176.54 176.28 1pfr h ARG 89 N 0.32 0.15 -0.19 4.80 0.11 -1.62 -3.43 114.38 114.52 1pfr h ARG 89 Ca -0.09 -0.26 0.05 0.00 0.10 0.00 0.00 59.98 59.79 1pfr h ARG 89 Cb 1.48 0.10 -0.06 0.00 1.11 0.00 0.00 29.97 32.60 1pfr h ARG 89 CO 0.17 1.12 -0.18 0.77 0.10 0.00 0.00 179.97 181.95 1pfr h SER 90 N -0.51 -0.57 -0.99 0.08 0.02 -1.38 -2.13 113.55 108.05 1pfr h SER 90 Ca -0.32 0.11 0.10 0.00 -0.84 0.00 0.00 61.79 60.84 1pfr h SER 90 Cb 1.61 0.28 -0.08 0.00 0.14 0.00 0.00 62.40 64.35 1pfr h SER 90 CO -0.03 -0.22 0.63 -0.65 -1.14 0.00 0.00 176.83 175.42 1pfr h PRO 91 N -0.20 1.01 0.17 3.45 0.11 -1.81 0.42 132.00 135.15 1pfr h PRO 91 Ca 0.12 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 66.16 1pfr h PRO 91 Cb 0.38 -0.23 0.00 0.00 0.11 0.00 0.00 31.00 31.26 1pfr h PRO 91 CO -0.31 0.67 -0.08 -0.91 -0.21 0.00 0.00 178.00 177.16 1pfr h ASN 92 N 1.04 -0.19 -0.07 -2.05 2.35 -1.77 0.21 115.58 115.10 1pfr h ASN 92 Ca 0.47 -0.24 -0.04 0.00 -0.55 0.00 0.00 56.30 55.95 1pfr h ASN 92 Cb 0.39 0.05 -0.01 0.00 0.05 0.00 0.00 38.32 38.80 1pfr h ASN 92 CO -0.23 0.15 -0.05 0.58 -1.65 0.00 0.00 177.43 176.23 1pfr h VAL 93 N -0.55 1.15 0.12 2.81 2.07 -0.76 -3.06 116.25 118.03 1pfr h VAL 93 Ca -0.02 -0.61 -0.37 0.00 0.82 0.00 0.00 66.70 66.52 1pfr h VAL 93 Cb 0.42 1.06 -0.02 0.00 -1.52 0.00 0.00 31.29 31.23 1pfr h VAL 93 CO 0.04 0.20 -2.01 0.00 0.02 0.00 0.00 177.57 175.82 1pfr n ALA 94 N -2.49 0.89 -0.09 1.67 0.00 0.14 -4.65 120.51 115.99 1pfr n ALA 94 Ca -0.00 -0.60 -0.23 0.00 0.00 0.00 0.00 53.44 52.62 1pfr n ALA 94 Cb 0.22 -0.67 -0.12 0.00 0.00 0.00 0.00 19.45 18.87 1pfr n ALA 94 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1pfr n LEU 95 N -3.48 2.40 -0.34 0.00 4.77 0.06 -4.51 117.00 115.90 1pfr n LEU 95 Ca -0.32 0.20 0.27 0.00 -0.03 0.00 0.00 56.01 56.13 1pfr n LEU 95 Cb 1.05 -0.97 0.52 0.00 -2.33 0.00 0.00 43.42 41.69 1pfr n LEU 95 CO 0.43 0.68 1.11 -0.07 -1.33 0.00 0.00 177.39 178.21 1pfr h LEU 96 N -0.43 0.44 0.00 2.23 4.07 -1.56 0.38 115.31 120.44 1pfr h LEU 96 Ca -0.51 0.21 0.00 0.00 0.08 0.00 0.00 57.88 57.66 1pfr h LEU 96 Cb 1.74 0.17 0.00 0.00 1.08 0.00 0.00 40.66 43.65 1pfr h LEU 96 CO -0.14 -0.22 0.00 -2.65 -1.08 0.00 0.00 178.44 174.35 1pfr n PRO 97 N -5.08 0.67 0.00 1.13 -0.02 -1.26 -3.44 135.00 127.00 1pfr n PRO 97 Ca 0.34 0.01 0.00 0.00 -2.02 0.00 0.00 63.50 61.83 1pfr n PRO 97 Cb 1.10 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 33.08 1pfr n PRO 97 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1pfr n LEU 98 N -1.05 0.08 -4.75 2.45 4.77 0.13 -4.98 117.00 113.65 1pfr n LEU 98 Ca 0.17 -0.49 -0.40 0.00 -0.03 0.00 0.00 56.01 55.25 1pfr n LEU 98 Cb 0.10 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.14 1pfr n LEU 98 CO 0.14 0.02 0.75 -0.63 -1.33 0.00 0.00 177.39 176.34 1pfr s ILE 99 N -0.83 3.77 0.00 -0.08 1.01 -1.01 0.10 121.20 124.17 1pfr s ILE 99 Ca 0.00 1.71 0.00 0.00 0.00 0.00 0.00 60.65 62.36 1pfr s ILE 99 Cb 0.00 -4.09 0.00 0.00 0.01 0.00 0.00 42.46 38.38 1pfr s ILE 99 CO 0.00 0.38 0.67 -1.54 0.00 0.00 0.00 174.94 174.45 1pfr n SER 100 N 1.61 1.32 -4.16 3.58 3.41 -0.66 -3.92 113.62 114.81 1pfr n SER 100 Ca -0.00 -1.37 -0.26 0.00 -0.26 0.00 0.00 58.87 56.97 1pfr n SER 100 Cb 0.46 0.00 -0.16 0.00 -0.26 0.00 0.00 64.21 64.25 1pfr n SER 100 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 1pfr s ILE 101 N -0.37 1.45 0.19 -1.33 -4.36 -1.26 -4.63 121.20 110.88 1pfr s ILE 101 Ca 0.00 -0.76 -0.11 0.00 -0.26 0.00 0.00 60.65 59.52 1pfr s ILE 101 Cb 0.00 -1.22 0.10 0.00 1.25 0.00 0.00 42.46 42.59 1pfr s ILE 101 CO 0.00 0.41 1.76 1.55 0.24 0.00 0.00 174.94 178.91 1pfr h PRO 102 N 5.93 0.96 -0.70 0.37 0.13 -1.89 -2.25 132.00 134.55 1pfr h PRO 102 Ca -0.35 -0.15 0.03 0.00 -0.87 0.00 0.00 66.00 64.65 1pfr h PRO 102 Cb 1.16 -0.17 -0.04 0.00 0.13 0.00 0.00 31.00 32.08 1pfr h PRO 102 CO 0.48 0.78 0.46 1.05 -0.23 0.00 0.00 178.00 180.54 1pfr h GLU 103 N 0.92 0.86 -0.23 0.86 9.09 -1.92 0.50 114.58 124.66 1pfr h GLU 103 Ca 0.22 -0.05 -0.15 0.00 0.05 0.00 0.00 59.36 59.43 1pfr h GLU 103 Cb 0.15 -0.19 0.00 0.00 -1.65 0.00 0.00 28.75 27.06 1pfr h GLU 103 CO -0.03 0.57 -0.45 1.25 0.05 0.00 0.00 179.01 180.40 1pfr h LEU 104 N 0.88 0.79 -0.17 3.06 5.85 -1.90 -0.73 115.31 123.09 1pfr h LEU 104 Ca 0.27 -0.55 0.02 0.00 0.84 0.00 0.00 57.88 58.47 1pfr h LEU 104 Cb 0.01 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 40.79 1pfr h LEU 104 CO -0.07 1.19 0.03 -0.08 -0.34 0.00 0.00 178.44 179.17 1pfr h GLU 105 N 0.42 0.09 -0.62 1.25 4.81 -0.54 -1.08 114.58 118.92 1pfr h GLU 105 Ca 0.01 -0.01 -0.09 0.00 -0.13 0.00 0.00 59.36 59.14 1pfr h GLU 105 Cb 1.06 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.39 1pfr h GLU 105 CO 0.10 0.06 0.04 1.15 -0.73 0.00 0.00 179.01 179.63 1pfr h THR 106 N 0.10 1.26 -0.73 0.32 2.02 0.05 -2.82 112.91 113.11 1pfr h THR 106 Ca 0.07 -1.09 -0.00 0.00 0.77 0.00 0.00 66.41 66.16 1pfr h THR 106 Cb 0.07 0.74 -0.04 0.00 -1.74 0.00 0.00 68.15 67.18 1pfr h THR 106 CO -0.10 0.40 0.44 -0.25 0.37 0.00 0.00 175.52 176.38 1pfr h TRP 107 N 0.97 0.95 -0.31 3.16 2.91 -0.81 0.10 115.95 122.92 1pfr h TRP 107 Ca 0.18 0.00 -0.11 0.00 1.13 0.00 0.00 58.89 60.09 1pfr h TRP 107 Cb 0.50 -0.32 -0.01 0.00 -0.51 0.00 0.00 29.16 28.82 1pfr h TRP 107 CO 0.03 0.63 -0.28 0.28 -1.03 0.00 0.00 178.44 178.08 1pfr h VAL 108 N 1.01 1.28 0.00 2.65 2.07 -0.99 0.32 116.25 122.58 1pfr h VAL 108 Ca 0.26 -1.37 -0.12 0.00 0.82 0.00 0.00 66.70 66.29 1pfr h VAL 108 Cb -0.05 1.33 -0.02 0.00 -1.52 0.00 0.00 31.29 31.04 1pfr h VAL 108 CO -0.05 0.45 -0.59 -0.33 0.02 0.00 0.00 177.57 177.06 1pfr h GLU 109 N 0.55 0.00 -0.09 1.57 5.08 -1.15 -1.93 114.58 118.62 1pfr h GLU 109 Ca 0.07 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.28 1pfr h GLU 109 Cb 0.76 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.01 1pfr h GLU 109 CO 0.06 0.59 -0.56 1.15 -1.00 0.00 0.00 179.01 179.26 1pfr h THR 110 N 0.00 1.37 0.48 1.13 2.02 -0.62 -1.26 112.91 116.02 1pfr h THR 110 Ca -0.01 -1.89 -0.02 0.00 0.77 0.00 0.00 66.41 65.26 1pfr h THR 110 Cb 1.19 2.25 -0.00 0.00 -1.74 0.00 0.00 68.15 69.85 1pfr h THR 110 CO 0.08 0.57 -0.29 -0.25 0.37 0.00 0.00 175.52 175.99 1pfr h TRP 111 N 0.12 -0.76 -0.50 3.16 7.01 -0.35 -0.04 115.95 124.58 1pfr h TRP 111 Ca -0.05 -0.01 0.02 0.00 2.11 0.00 0.00 58.89 60.96 1pfr h TRP 111 Cb 1.21 0.27 -0.03 0.00 -2.10 0.00 0.00 29.16 28.52 1pfr h TRP 111 CO 0.12 -0.45 0.33 0.00 -2.79 0.00 0.00 178.44 175.65 1pfr h ALA 112 N -0.25 1.70 -0.40 2.65 0.00 -1.42 -1.87 119.26 119.67 1pfr h ALA 112 Ca -0.05 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.76 1pfr h ALA 112 Cb 0.60 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1pfr h ALA 112 CO 0.06 0.26 -0.00 0.35 0.00 0.00 0.00 179.25 179.91 1pfr h PHE 113 N 0.63 0.76 0.00 0.00 3.57 -0.21 -2.39 116.94 119.30 1pfr h PHE 113 Ca 0.19 -0.13 -0.01 0.00 3.53 0.00 0.00 57.97 61.55 1pfr h PHE 113 Cb 0.01 -0.20 -0.00 0.00 2.79 0.00 0.00 35.95 38.55 1pfr h PHE 113 CO -0.00 0.78 -0.03 0.66 -2.23 0.00 0.00 178.31 177.49 1pfr h SER 114 N 0.53 0.00 1.27 0.41 4.64 -0.25 0.99 113.55 121.14 1pfr h SER 114 Ca 0.11 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.42 1pfr h SER 114 Cb 0.48 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.57 1pfr h SER 114 CO 0.02 0.03 -0.06 -0.33 -0.87 0.00 0.00 176.83 175.62 1pfr h GLU 115 N 0.00 0.00 0.00 4.77 4.39 -0.90 -2.14 114.58 120.70 1pfr h GLU 115 Ca -0.00 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.60 1pfr h GLU 115 Cb 0.05 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.69 1pfr h GLU 115 CO 0.00 0.06 -0.46 1.79 -1.16 0.00 0.00 179.01 179.25 1pfr h THR 116 N 0.00 1.16 -0.27 1.13 1.35 -0.64 -2.07 112.91 113.58 1pfr h THR 116 Ca -0.00 -1.65 -0.13 0.00 -0.55 0.00 0.00 66.41 64.08 1pfr h THR 116 Cb 0.72 1.93 -0.01 0.00 -1.73 0.00 0.00 68.15 69.06 1pfr h THR 116 CO 0.01 0.45 -0.37 0.40 -0.25 0.00 0.00 175.52 175.76 1pfr h ILE 117 N 0.00 1.29 -0.25 6.82 2.04 -1.29 -0.89 117.51 125.23 1pfr h ILE 117 Ca -0.00 -1.52 -0.02 0.00 1.00 0.00 0.00 64.86 64.32 1pfr h ILE 117 Cb 0.90 1.48 -0.01 0.00 -0.74 0.00 0.00 36.82 38.45 1pfr h ILE 117 CO 0.06 0.48 0.08 0.45 0.00 0.00 0.00 178.15 179.22 1pfr h HIS 118 N 0.50 0.41 -0.58 1.37 3.86 -0.97 -0.08 115.15 119.66 1pfr h HIS 118 Ca 0.05 -0.04 -0.05 0.00 -1.16 0.00 0.00 60.37 59.17 1pfr h HIS 118 Cb 0.87 -0.12 -0.03 0.00 1.06 0.00 0.00 27.41 29.19 1pfr h HIS 118 CO 0.04 0.45 0.16 0.77 0.86 0.00 0.00 177.93 180.21 1pfr h SER 119 N 0.24 0.82 -0.91 2.45 0.02 -1.09 -1.64 113.55 113.44 1pfr h SER 119 Ca 0.08 -0.14 -0.02 0.00 -0.84 0.00 0.00 61.79 60.87 1pfr h SER 119 Cb 0.24 -0.21 -0.04 0.00 0.14 0.00 0.00 62.40 62.52 1pfr h SER 119 CO -0.00 0.79 0.51 -0.09 -1.14 0.00 0.00 176.83 176.89 1pfr h ARG 120 N 0.85 1.26 -0.11 3.45 2.43 -0.83 -2.35 114.38 119.09 1pfr h ARG 120 Ca 0.19 -0.14 -0.03 0.00 -0.81 0.00 0.00 59.98 59.18 1pfr h ARG 120 Cb 0.28 -0.25 -0.01 0.00 -0.42 0.00 0.00 29.97 29.57 1pfr h ARG 120 CO -0.00 0.92 -0.08 0.66 -1.51 0.00 0.00 179.97 179.95 1pfr h SER 121 N 1.27 0.14 1.06 -3.80 4.64 -0.06 -1.83 113.55 114.96 1pfr h SER 121 Ca 0.32 -0.02 -0.08 0.00 -0.47 0.00 0.00 61.79 61.54 1pfr h SER 121 Cb 0.01 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 62.06 1pfr h SER 121 CO -0.05 0.25 -0.37 1.88 -0.87 0.00 0.00 176.83 177.67 1pfr h TYR 122 N 0.15 0.00 0.08 4.77 0.05 -0.97 -1.49 116.97 119.56 1pfr h TYR 122 Ca 0.03 0.00 -0.25 0.00 0.05 0.00 0.00 58.73 58.56 1pfr h TYR 122 Cb 0.25 0.00 0.02 0.00 1.01 0.00 0.00 36.73 38.02 1pfr h TYR 122 CO 0.00 0.37 -1.04 1.15 -1.05 0.00 0.00 178.16 177.59 1pfr h THR 123 N 0.00 1.34 -0.85 -2.88 2.02 -1.16 -1.72 112.91 109.65 1pfr h THR 123 Ca -0.00 -2.36 0.06 0.00 0.77 0.00 0.00 66.41 64.87 1pfr h THR 123 Cb 1.00 2.69 -0.06 0.00 -1.74 0.00 0.00 68.15 70.04 1pfr h THR 123 CO 0.05 0.71 0.53 -0.74 0.37 0.00 0.00 175.52 176.44 1pfr h HIS 124 N 0.14 0.98 0.23 3.16 -0.00 -0.99 0.40 115.15 119.07 1pfr h HIS 124 Ca -0.15 0.03 -0.01 0.00 -0.00 0.00 0.00 60.37 60.23 1pfr h HIS 124 Cb 1.74 -0.32 0.00 0.00 -0.00 0.00 0.00 27.41 28.84 1pfr h HIS 124 CO 0.13 0.50 -0.11 0.82 -0.00 0.00 0.00 177.93 179.27 1pfr h ILE 125 N 0.97 0.80 -0.56 6.26 2.04 -1.31 -2.54 117.51 123.16 1pfr h ILE 125 Ca 0.37 -0.83 0.06 0.00 1.00 0.00 0.00 64.86 65.46 1pfr h ILE 125 Cb 0.16 1.23 -0.05 0.00 -0.74 0.00 0.00 36.82 37.42 1pfr h ILE 125 CO -0.17 0.17 0.26 0.40 0.00 0.00 0.00 178.15 178.81 1pfr h ILE 126 N -0.77 0.90 -0.59 -0.67 2.04 -0.90 -1.13 117.51 116.38 1pfr h ILE 126 Ca -0.03 -0.17 0.08 0.00 1.00 0.00 0.00 64.86 65.74 1pfr h ILE 126 Cb 0.51 0.36 -0.06 0.00 -0.74 0.00 0.00 36.82 36.88 1pfr h ILE 126 CO 0.05 0.09 0.25 0.03 0.00 0.00 0.00 178.15 178.57 1pfr h ARG 127 N 0.49 0.44 0.00 2.37 3.08 -0.25 -2.49 114.38 118.02 1pfr h ARG 127 Ca 0.26 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.28 1pfr h ARG 127 Cb 0.22 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.17 1pfr h ARG 127 CO -0.21 0.29 0.00 0.09 -1.07 0.00 0.00 179.97 179.08 1pfr n ASN 128 N -4.95 0.00 0.00 7.04 4.13 -0.45 -4.06 115.26 116.96 1pfr n ASN 128 Ca 0.08 -0.54 0.00 0.00 1.68 0.00 0.00 54.58 55.80 1pfr n ASN 128 Cb 0.24 -0.10 0.00 0.00 -1.54 0.00 0.00 39.78 38.37 1pfr n ASN 128 CO 0.00 0.00 0.00 2.30 0.28 0.00 0.00 177.26 179.84 1pfr n ILE 129 N -1.10 0.00 -4.14 2.41 -5.35 -0.97 -4.32 119.36 105.89 1pfr n ILE 129 Ca 0.17 0.00 -0.25 0.00 -0.27 0.00 0.00 62.75 62.40 1pfr n ILE 129 Cb 0.13 -0.22 -0.07 0.00 -1.74 0.00 0.00 39.64 37.73 1pfr n ILE 129 CO 0.00 0.00 0.00 0.68 -1.76 0.00 0.00 176.55 175.47 1pfr s VAL 130 N -1.87 2.36 -0.09 7.28 -7.23 -1.04 -4.85 120.40 114.96 1pfr s VAL 130 Ca 0.00 -1.71 0.00 0.00 -1.81 0.00 0.00 61.98 58.47 1pfr s VAL 130 Cb 0.00 -2.99 -0.25 0.00 0.56 0.00 0.00 36.38 33.70 1pfr s VAL 130 CO 0.00 -0.02 0.47 0.59 -0.31 0.00 0.00 175.10 175.83 1pfr n ASN 131 N -1.22 1.67 -4.01 4.85 3.02 -1.26 -4.75 115.26 113.55 1pfr n ASN 131 Ca -0.01 0.28 -0.31 0.00 -0.03 0.00 0.00 54.58 54.51 1pfr n ASN 131 Cb 0.64 -0.57 -0.15 0.00 -0.61 0.00 0.00 39.78 39.10 1pfr n ASN 131 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1pfr s ASP 132 N -6.69 4.72 0.57 6.41 2.15 -1.26 -4.99 116.67 117.58 1pfr s ASP 132 Ca -0.16 -2.25 0.28 0.00 0.43 0.00 0.00 52.55 50.84 1pfr s ASP 132 Cb 0.07 -1.63 1.71 0.00 -0.30 0.00 0.00 42.92 42.78 1pfr s ASP 132 CO 0.79 -0.36 2.22 -0.65 -0.17 0.00 0.00 175.17 177.00 1pfr h PRO 133 N 7.49 0.00 0.00 4.34 0.11 -1.88 -1.59 132.00 140.46 1pfr h PRO 133 Ca -0.04 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.07 1pfr h PRO 133 Cb 1.01 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.12 1pfr h PRO 133 CO 0.54 0.01 0.00 0.77 -0.21 0.00 0.00 178.00 179.11 1pfr h SER 134 N 0.00 0.00 0.22 -2.05 0.02 -1.98 0.28 113.55 110.05 1pfr h SER 134 Ca -0.00 0.00 -0.24 0.00 -0.84 0.00 0.00 61.79 60.71 1pfr h SER 134 Cb 0.04 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.58 1pfr h SER 134 CO 0.00 0.00 -0.96 0.58 -1.14 0.00 0.00 176.83 175.31 1pfr h VAL 135 N 0.00 1.36 0.12 2.27 2.07 -1.72 -2.60 116.25 117.76 1pfr h VAL 135 Ca 0.00 -2.36 -0.01 0.00 0.82 0.00 0.00 66.70 65.15 1pfr h VAL 135 Cb 0.14 2.38 0.00 0.00 -1.52 0.00 0.00 31.29 32.30 1pfr h VAL 135 CO 0.00 0.71 -0.06 0.58 0.02 0.00 0.00 177.57 178.82 1pfr h VAL 136 N 0.29 0.75 -0.28 2.57 2.07 -0.65 -3.34 116.25 117.67 1pfr h VAL 136 Ca -0.09 -1.26 0.02 0.00 0.82 0.00 0.00 66.70 66.20 1pfr h VAL 136 Cb 1.60 1.32 -0.01 0.00 -1.52 0.00 0.00 31.29 32.68 1pfr h VAL 136 CO 0.17 0.22 0.19 -0.26 0.02 0.00 0.00 177.57 177.91 1pfr h PHE 137 N -0.94 0.26 -0.00 1.57 0.04 -1.17 -2.58 116.94 114.12 1pfr h PHE 137 Ca -0.02 0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.76 1pfr h PHE 137 Cb 0.49 -0.09 0.00 0.00 2.20 0.00 0.00 35.95 38.55 1pfr h PHE 137 CO 0.09 0.16 -0.01 -0.25 -0.60 0.00 0.00 178.31 177.70 1pfr n ASP 138 N -4.49 0.03 -1.97 2.17 8.00 -0.98 -3.58 116.55 115.73 1pfr n ASP 138 Ca 0.02 -0.30 -0.24 0.00 0.71 0.00 0.00 54.79 54.98 1pfr n ASP 138 Cb 0.15 -0.23 0.07 0.00 -0.02 0.00 0.00 41.12 41.09 1pfr n ASP 138 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1pfr n ASP 139 N -1.22 5.35 -0.02 -2.24 2.03 -0.97 -4.52 116.55 114.96 1pfr n ASP 139 Ca 0.16 -3.77 -0.03 0.00 0.52 0.00 0.00 54.79 51.66 1pfr n ASP 139 Cb 0.22 -0.60 -0.02 0.00 -0.72 0.00 0.00 41.12 40.01 1pfr n ASP 139 CO 0.00 0.00 0.00 -0.38 -1.92 0.00 0.00 177.20 174.90 1pfr n ILE 140 N -0.86 0.21 -0.26 5.18 5.41 -1.23 -4.13 119.36 123.68 1pfr n ILE 140 Ca 0.48 -0.07 -0.02 0.00 1.00 0.00 0.00 62.75 64.15 1pfr n ILE 140 Cb 0.89 -1.03 0.10 0.00 -0.71 0.00 0.00 39.64 38.90 1pfr n ILE 140 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 176.55 177.13 1pfr h VAL 141 N -0.06 1.03 -0.21 1.39 2.07 -1.79 -3.10 116.25 115.58 1pfr h VAL 141 Ca -0.09 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 67.15 1pfr h VAL 141 Cb 1.11 0.14 0.00 0.00 -1.52 0.00 0.00 31.29 31.02 1pfr h VAL 141 CO -0.03 0.15 0.00 0.35 0.02 0.00 0.00 177.57 178.06 1pfr n THR 142 N -4.70 0.87 -2.05 2.57 -2.24 -1.26 -4.84 114.28 102.63 1pfr n THR 142 Ca 0.09 -0.93 -0.43 0.00 -2.27 0.00 0.00 64.05 60.51 1pfr n THR 142 Cb 0.15 0.59 -0.03 0.00 -2.10 0.00 0.00 70.33 68.94 1pfr n THR 142 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1pfr s ASN 143 N -0.95 5.97 0.23 3.42 3.84 -1.17 -4.88 114.94 121.40 1pfr s ASN 143 Ca 0.15 1.27 -0.10 0.00 0.21 0.00 0.00 52.86 54.39 1pfr s ASN 143 Cb 0.08 -2.53 0.34 0.00 -0.55 0.00 0.00 41.25 38.59 1pfr s ASN 143 CO 0.11 -1.65 1.35 1.21 -2.79 0.00 0.00 177.10 175.33 1pfr n GLU 144 N 8.35 -0.12 -0.06 0.43 4.07 -1.26 -0.79 120.64 131.26 1pfr n GLU 144 Ca 0.22 1.35 -0.03 0.00 -0.06 0.00 0.00 57.16 58.64 1pfr n GLU 144 Cb 0.47 -2.01 0.21 0.00 -0.06 0.00 0.00 31.44 30.05 1pfr n GLU 144 CO 0.00 0.00 0.00 1.96 -0.06 0.00 0.00 177.13 179.03 1pfr h GLN 145 N 0.00 0.67 0.05 5.31 1.08 -1.98 -3.16 115.11 117.09 1pfr h GLN 145 Ca 0.38 -0.17 -0.00 0.00 -1.45 0.00 0.00 58.65 57.41 1pfr h GLN 145 Cb 0.60 -0.08 0.00 0.00 -0.05 0.00 0.00 27.48 27.94 1pfr h GLN 145 CO -0.88 0.70 -0.03 0.82 -0.95 0.00 0.00 178.83 178.49 1pfr h ILE 146 N 0.63 1.24 -0.36 2.54 2.04 -1.30 -3.39 117.51 118.91 1pfr h ILE 146 Ca 0.13 -1.58 0.08 0.00 1.00 0.00 0.00 64.86 64.49 1pfr h ILE 146 Cb 0.42 2.20 -0.07 0.00 -0.74 0.00 0.00 36.82 38.62 1pfr h ILE 146 CO 0.02 0.36 -0.07 0.00 0.00 0.00 0.00 178.15 178.47 1pfr n GLN 147 N -4.78 -0.03 -0.26 2.37 6.02 -0.69 -2.10 117.38 117.90 1pfr n GLN 147 Ca -0.08 0.56 0.05 0.00 -0.01 0.00 0.00 57.00 57.52 1pfr n GLN 147 Cb 0.32 -0.85 0.27 0.00 1.02 0.00 0.00 30.24 31.00 1pfr n GLN 147 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 177.06 176.92 1pfr h LYS 148 N 0.00 0.92 -0.07 -1.09 1.79 -1.76 -2.39 116.57 113.96 1pfr h LYS 148 Ca 0.19 -0.06 -0.05 0.00 -2.18 0.00 0.00 60.65 58.56 1pfr h LYS 148 Cb 0.32 -0.21 0.00 0.00 -1.58 0.00 0.00 32.23 30.76 1pfr h LYS 148 CO -0.37 0.61 -0.13 0.00 -1.08 0.00 0.00 179.45 178.48 1pfr h ARG 149 N 0.94 0.22 -0.10 3.15 -0.00 -1.70 -2.76 114.38 114.13 1pfr h ARG 149 Ca 0.36 -0.14 0.04 0.00 -0.50 0.00 0.00 59.98 59.74 1pfr h ARG 149 Cb 0.21 0.02 -0.06 0.00 0.00 0.00 0.00 29.97 30.14 1pfr h ARG 149 CO -0.13 0.72 -0.45 0.00 0.00 0.00 0.00 179.97 180.10 1pfr h ALA 150 N 0.50 -0.69 -0.43 0.04 0.00 -1.59 -0.75 119.26 116.35 1pfr h ALA 150 Ca 0.00 -0.03 0.08 0.00 0.00 0.00 0.00 54.91 54.96 1pfr h ALA 150 Cb 0.71 0.84 -0.07 0.00 0.00 0.00 0.00 17.79 19.27 1pfr h ALA 150 CO 0.03 -0.98 0.03 0.93 0.00 0.00 0.00 179.25 179.27 1pfr h GLU 151 N -0.54 0.15 -0.31 0.00 5.08 -1.50 0.23 114.58 117.69 1pfr h GLU 151 Ca 0.06 -0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.43 1pfr h GLU 151 Cb 0.65 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.84 1pfr h GLU 151 CO -0.39 0.10 0.14 0.78 -1.00 0.00 0.00 179.01 178.64 1pfr h GLY 152 N 0.15 0.40 0.54 -3.84 0.00 -1.15 -0.96 103.07 98.21 1pfr h GLY 152 Ca 0.21 -0.10 -0.01 0.00 0.00 0.00 0.00 47.33 47.44 1pfr h GLY 152 CO -0.32 0.07 -0.09 -2.22 0.00 0.00 0.00 176.54 173.98 1pfr h ILE 153 N 0.30 0.92 -0.57 2.60 2.04 -0.70 -3.29 117.51 118.82 1pfr h ILE 153 Ca 0.13 -0.89 0.10 0.00 1.00 0.00 0.00 64.86 65.20 1pfr h ILE 153 Cb 0.06 1.42 -0.08 0.00 -0.74 0.00 0.00 36.82 37.49 1pfr h ILE 153 CO -0.10 0.19 0.14 0.77 0.00 0.00 0.00 178.15 179.15 1pfr h SER 154 N -0.71 0.04 -0.89 1.72 4.64 -0.54 -2.66 113.55 115.15 1pfr h SER 154 Ca -0.02 0.10 0.15 0.00 -0.47 0.00 0.00 61.79 61.54 1pfr h SER 154 Cb 0.50 0.13 -0.15 0.00 -0.31 0.00 0.00 62.40 62.56 1pfr h SER 154 CO 0.04 0.04 -0.31 -1.20 -0.87 0.00 0.00 176.83 174.53 1pfr n SER 155 N -5.10 -0.51 -0.15 4.97 7.64 -0.37 0.13 113.62 120.23 1pfr n SER 155 Ca 0.08 1.54 -0.08 0.00 1.01 0.00 0.00 58.87 61.42 1pfr n SER 155 Cb 0.29 -0.38 0.00 0.00 -1.01 0.00 0.00 64.21 63.10 1pfr n SER 155 CO 0.00 0.00 0.00 1.88 -3.01 0.00 0.00 175.04 173.91 1pfr h TYR 156 N 0.00 0.67 -0.22 1.43 0.05 -1.58 -0.99 116.97 116.32 1pfr h TYR 156 Ca 0.34 -0.04 -0.08 0.00 0.05 0.00 0.00 58.73 59.00 1pfr h TYR 156 Cb 0.56 -0.20 -0.00 0.00 1.01 0.00 0.00 36.73 38.09 1pfr h TYR 156 CO -0.75 0.56 -0.16 1.88 -1.05 0.00 0.00 178.16 178.64 1pfr h TYR 157 N 0.59 0.59 -0.44 4.88 0.05 -1.21 -2.83 116.97 118.61 1pfr h TYR 157 Ca 0.15 -0.16 0.02 0.00 0.05 0.00 0.00 58.73 58.79 1pfr h TYR 157 Cb 0.16 -0.13 -0.03 0.00 1.01 0.00 0.00 36.73 37.74 1pfr h TYR 157 CO -0.00 0.81 0.26 -0.44 -1.05 0.00 0.00 178.16 177.74 1pfr h ASP 158 N 0.20 0.42 -0.52 3.88 3.32 -0.12 -1.00 116.42 122.61 1pfr h ASP 158 Ca 0.04 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 57.02 1pfr h ASP 158 Cb 0.68 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 40.12 1pfr h ASP 158 CO 0.04 0.30 0.03 -0.33 -1.72 0.00 0.00 179.24 177.56 1pfr h GLU 159 N 0.52 0.94 -0.68 3.56 5.08 -1.27 -1.75 114.58 120.98 1pfr h GLU 159 Ca 0.17 -0.26 -0.05 0.00 -1.00 0.00 0.00 59.36 58.22 1pfr h GLU 159 Cb 0.01 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.12 1pfr h GLU 159 CO -0.08 0.91 0.24 1.25 -1.00 0.00 0.00 179.01 180.34 1pfr h LEU 160 N 0.87 0.97 -0.41 1.33 5.85 -1.24 -2.32 115.31 120.36 1pfr h LEU 160 Ca 0.17 -0.19 -0.05 0.00 0.84 0.00 0.00 57.88 58.65 1pfr h LEU 160 Cb 0.47 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.23 1pfr h LEU 160 CO 0.02 0.90 0.06 0.40 -0.34 0.00 0.00 178.44 179.48 1pfr h ILE 161 N 0.98 1.24 -0.40 4.05 2.04 -0.88 -1.31 117.51 123.24 1pfr h ILE 161 Ca 0.22 -0.89 -0.04 0.00 1.00 0.00 0.00 64.86 65.16 1pfr h ILE 161 Cb 0.26 1.03 -0.02 0.00 -0.74 0.00 0.00 36.82 37.35 1pfr h ILE 161 CO -0.01 0.30 0.10 -0.08 0.00 0.00 0.00 178.15 178.46 1pfr h GLU 162 N 0.53 0.63 -0.03 2.37 4.81 -1.24 -1.57 114.58 120.08 1pfr h GLU 162 Ca 0.12 -0.15 -0.10 0.00 -0.13 0.00 0.00 59.36 59.10 1pfr h GLU 162 Cb 0.38 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.67 1pfr h GLU 162 CO 0.01 0.66 -0.45 0.52 -0.73 0.00 0.00 179.01 179.02 1pfr h MET 163 N 0.50 0.07 -0.36 1.92 2.86 -1.38 -2.24 114.93 116.29 1pfr h MET 163 Ca 0.12 -0.04 -0.10 0.00 -2.06 0.00 0.00 59.70 57.63 1pfr h MET 163 Cb 0.31 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.96 1pfr h MET 163 CO 0.00 0.51 -0.16 1.15 1.06 0.00 0.00 176.91 179.47 1pfr h THR 164 N 0.06 1.28 0.06 2.22 2.02 -0.99 -1.29 112.91 116.27 1pfr h THR 164 Ca 0.00 -1.27 0.02 0.00 0.77 0.00 0.00 66.41 65.93 1pfr h THR 164 Cb 0.82 1.33 -0.02 0.00 -1.74 0.00 0.00 68.15 68.54 1pfr h THR 164 CO 0.06 0.42 -0.15 0.28 0.37 0.00 0.00 175.52 176.50 1pfr h SER 165 N 0.54 -0.41 -0.98 4.18 0.02 -0.79 -0.73 113.55 115.38 1pfr h SER 165 Ca 0.08 0.05 0.05 0.00 -0.84 0.00 0.00 61.79 61.14 1pfr h SER 165 Cb 0.69 0.16 -0.06 0.00 0.14 0.00 0.00 62.40 63.33 1pfr h SER 165 CO 0.05 -0.21 0.64 1.88 -1.14 0.00 0.00 176.83 178.04 1pfr h TYR 166 N -0.28 1.18 -0.25 3.45 0.05 -1.36 -0.34 116.97 119.42 1pfr h TYR 166 Ca 0.03 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.84 1pfr h TYR 166 Cb 0.31 -0.39 -0.01 0.00 1.01 0.00 0.00 36.73 37.64 1pfr h TYR 166 CO -0.17 0.65 0.17 2.35 -1.05 0.00 0.00 178.16 180.10 1pfr h TRP 167 N 1.19 0.32 0.00 4.88 7.01 -0.64 0.15 115.95 128.85 1pfr h TRP 167 Ca 0.41 0.01 -0.12 0.00 2.11 0.00 0.00 58.89 61.30 1pfr h TRP 167 Cb 0.09 -0.11 -0.02 0.00 -2.10 0.00 0.00 29.16 27.03 1pfr h TRP 167 CO -0.00 0.20 -0.56 0.45 -2.79 0.00 0.00 178.44 175.74 1pfr h HIS 168 N 0.34 0.00 0.23 2.65 3.86 -0.86 0.31 115.15 121.68 1pfr h HIS 168 Ca 0.09 0.00 -0.31 0.00 -1.16 0.00 0.00 60.37 58.99 1pfr h HIS 168 Cb -0.04 0.00 0.03 0.00 1.06 0.00 0.00 27.41 28.46 1pfr h HIS 168 CO -0.06 0.56 -1.39 -0.07 0.86 0.00 0.00 177.93 177.84 1pfr h LEU 169 N 0.00 0.75 0.00 2.43 3.38 -0.81 0.44 115.31 121.51 1pfr h LEU 169 Ca -0.01 -0.93 0.00 0.00 0.09 0.00 0.00 57.88 57.04 1pfr h LEU 169 Cb 1.20 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.71 1pfr h LEU 169 CO 0.07 1.66 -1.01 0.18 0.09 0.00 0.00 178.44 179.43 1pfr n LEU 170 N -3.79 0.04 0.00 1.67 4.77 0.51 -4.84 117.00 115.36 1pfr n LEU 170 Ca -0.17 -0.10 0.05 0.00 -0.03 0.00 0.00 56.01 55.76 1pfr n LEU 170 Cb 1.05 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 42.13 1pfr n LEU 170 CO 0.57 0.01 -0.06 0.61 -1.33 0.00 0.00 177.39 177.19 1pfr n GLY 171 N 2.02 -2.11 3.80 -0.72 0.00 0.11 -4.86 105.19 103.43 1pfr n GLY 171 Ca -0.01 -1.41 -0.34 0.00 0.00 0.00 0.00 46.02 44.26 1pfr n GLY 171 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1pfr s GLU 172 N -1.12 3.67 0.00 1.61 2.02 -1.26 -4.72 118.70 118.90 1pfr s GLU 172 Ca 0.00 1.35 0.00 0.00 0.02 0.00 0.00 54.97 56.34 1pfr s GLU 172 Cb 0.00 -2.08 0.00 0.00 0.10 0.00 0.00 34.13 32.15 1pfr s GLU 172 CO 0.00 -0.54 0.00 0.41 0.02 0.00 0.00 175.26 175.15 1pfr n GLY 173 N -0.36 0.88 3.39 -1.39 0.00 -0.56 -4.96 105.19 102.20 1pfr n GLY 173 Ca 0.09 -1.93 -0.39 0.00 0.00 0.00 0.00 46.02 43.80 1pfr n GLY 173 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1pfr s THR 174 N -1.08 4.47 0.22 2.61 2.01 -1.26 -0.72 115.64 121.88 1pfr s THR 174 Ca 0.00 -0.67 0.11 0.00 0.31 0.00 0.00 61.69 61.43 1pfr s THR 174 Cb 0.00 -3.38 -0.04 0.00 0.01 0.00 0.00 72.50 69.08 1pfr s THR 174 CO 0.00 -0.07 -0.17 -1.00 -0.69 0.00 0.00 174.62 172.69 1pfr s HIS 175 N 1.56 2.43 0.01 4.92 3.76 0.48 -4.94 115.29 123.50 1pfr s HIS 175 Ca 0.03 -0.30 0.03 0.00 -0.15 0.00 0.00 55.06 54.67 1pfr s HIS 175 Cb -0.18 -1.15 -0.03 0.00 1.11 0.00 0.00 32.58 32.33 1pfr s HIS 175 CO 0.06 0.57 -0.05 0.95 -0.85 0.00 0.00 174.74 175.42 1pfr s THR 176 N -1.97 3.75 -0.28 1.30 -4.23 -1.26 0.15 115.64 113.10 1pfr s THR 176 Ca 0.25 -0.76 -0.01 0.00 -1.18 0.00 0.00 61.69 59.99 1pfr s THR 176 Cb -0.07 -2.65 0.13 0.00 1.34 0.00 0.00 72.50 71.25 1pfr s THR 176 CO 0.14 0.38 0.27 -0.69 -0.54 0.00 0.00 174.62 174.17 1pfr s VAL 177 N -1.03 -0.37 -1.21 2.29 1.01 0.17 -4.90 120.40 116.37 1pfr s VAL 177 Ca 0.18 -0.45 -0.03 0.00 0.00 0.00 0.00 61.98 61.68 1pfr s VAL 177 Cb -0.11 -0.94 -0.01 0.00 0.00 0.00 0.00 36.38 35.32 1pfr s VAL 177 CO 0.08 -0.45 0.86 0.59 0.00 0.00 0.00 175.10 176.19 1pfr n ASN 178 N 5.31 -2.79 0.00 3.32 3.02 -1.26 -2.12 115.26 120.74 1pfr n ASN 178 Ca -0.03 -0.74 0.00 0.00 -0.03 0.00 0.00 54.58 53.78 1pfr n ASN 178 Cb 0.46 -4.63 0.00 0.00 -0.61 0.00 0.00 39.78 35.00 1pfr n ASN 178 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1pfr n GLY 179 N -1.35 2.79 3.87 7.41 0.00 -1.26 -5.00 105.19 111.64 1pfr n GLY 179 Ca -0.24 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.41 1pfr n GLY 179 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pfr s LYS 180 N -0.30 3.56 0.05 1.61 1.02 -0.90 -5.09 119.74 119.70 1pfr s LYS 180 Ca 0.00 -0.01 -0.26 0.00 0.02 0.00 0.00 55.97 55.72 1pfr s LYS 180 Cb 0.00 -3.20 -0.05 0.00 -0.52 0.00 0.00 37.83 34.05 1pfr s LYS 180 CO 0.00 0.75 0.81 0.99 -0.92 0.00 0.00 175.35 176.98 1pfr s THR 181 N -1.01 4.70 -0.13 2.17 2.01 -1.26 0.45 115.64 122.57 1pfr s THR 181 Ca 0.17 1.72 -0.01 0.00 0.31 0.00 0.00 61.69 63.88 1pfr s THR 181 Cb -0.13 -4.16 0.04 0.00 0.01 0.00 0.00 72.50 68.26 1pfr s THR 181 CO 0.06 0.35 -0.01 -0.69 -0.69 0.00 0.00 174.62 173.64 1pfr s VAL 182 N 0.00 0.62 -0.17 3.82 1.01 0.39 -4.92 120.40 121.16 1pfr s VAL 182 Ca 0.40 -0.24 -0.10 0.00 0.00 0.00 0.00 61.98 62.04 1pfr s VAL 182 Cb -0.21 -0.86 -0.05 0.00 0.00 0.00 0.00 36.38 35.26 1pfr s VAL 182 CO 0.24 0.12 0.16 -0.89 0.00 0.00 0.00 175.10 174.73 1pfr s THR 183 N 1.85 5.42 -0.18 3.92 2.01 -1.26 -0.39 115.64 127.01 1pfr s THR 183 Ca 0.03 0.25 0.01 0.00 0.31 0.00 0.00 61.69 62.28 1pfr s THR 183 Cb -0.14 -3.48 0.03 0.00 0.01 0.00 0.00 72.50 68.92 1pfr s THR 183 CO -0.07 0.48 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.51 1pfr s VAL 184 N -0.00 1.75 -0.07 3.82 1.01 0.10 -4.99 120.40 122.01 1pfr s VAL 184 Ca 0.11 -0.86 0.02 0.00 0.00 0.00 0.00 61.98 61.25 1pfr s VAL 184 Cb -0.12 -1.68 0.02 0.00 0.00 0.00 0.00 36.38 34.60 1pfr s VAL 184 CO 0.00 0.38 -0.11 -0.55 0.00 0.00 0.00 175.10 174.82 1pfr s SER 185 N 1.39 1.73 0.27 3.32 0.15 -1.26 -1.50 113.70 117.80 1pfr s SER 185 Ca 0.03 -0.28 0.01 0.00 0.70 0.00 0.00 55.95 56.40 1pfr s SER 185 Cb -0.14 -0.79 0.38 0.00 -1.71 0.00 0.00 66.02 63.76 1pfr s SER 185 CO -0.10 0.01 1.73 0.25 1.20 0.00 0.00 173.24 176.32 1pfr h LEU 186 N 7.13 0.57 0.03 3.45 5.85 -1.98 -1.75 115.31 128.61 1pfr h LEU 186 Ca -0.32 -0.18 0.03 0.00 0.84 0.00 0.00 57.88 58.26 1pfr h LEU 186 Cb 1.18 -0.15 -0.05 0.00 0.37 0.00 0.00 40.66 42.00 1pfr h LEU 186 CO 0.47 0.77 -0.34 -0.09 -0.34 0.00 0.00 178.44 178.91 1pfr h ARG 187 N 0.52 -0.49 -0.80 1.25 1.12 -1.99 0.47 114.38 114.45 1pfr h ARG 187 Ca 0.08 0.03 0.04 0.00 -1.11 0.00 0.00 59.98 59.03 1pfr h ARG 187 Cb 0.62 0.11 -0.05 0.00 -0.01 0.00 0.00 29.97 30.64 1pfr h ARG 187 CO 0.04 -0.33 0.52 0.93 -3.11 0.00 0.00 179.97 178.03 1pfr h GLU 188 N -0.51 0.93 -0.73 0.20 4.39 -1.93 -0.63 114.58 116.30 1pfr h GLU 188 Ca 0.05 -0.06 -0.06 0.00 0.34 0.00 0.00 59.36 59.64 1pfr h GLU 188 Cb 0.58 -0.21 -0.03 0.00 -0.10 0.00 0.00 28.75 28.99 1pfr h GLU 188 CO -0.25 0.62 0.24 1.25 -1.16 0.00 0.00 179.01 179.70 1pfr h LEU 189 N 0.96 1.06 -0.72 1.33 6.46 -0.04 -1.17 115.31 123.19 1pfr h LEU 189 Ca 0.32 -0.20 -0.02 0.00 -0.12 0.00 0.00 57.88 57.86 1pfr h LEU 189 Cb 0.08 -0.28 -0.03 0.00 -0.73 0.00 0.00 40.66 39.70 1pfr h LEU 189 CO -0.10 0.98 0.38 0.11 -0.62 0.00 0.00 178.44 179.19 1pfr h LYS 190 N 1.08 1.01 -0.55 1.25 1.57 0.12 -1.94 116.57 119.11 1pfr h LYS 190 Ca 0.24 -0.13 0.04 0.00 -1.87 0.00 0.00 60.65 58.93 1pfr h LYS 190 Cb 0.29 -0.19 -0.04 0.00 0.08 0.00 0.00 32.23 32.37 1pfr h LYS 190 CO -0.01 0.77 0.30 -0.22 -0.57 0.00 0.00 179.45 179.72 1pfr h LYS 191 N 0.99 0.57 -0.36 3.15 3.64 -0.38 -1.20 116.57 122.98 1pfr h LYS 191 Ca 0.25 -0.03 -0.07 0.00 -1.27 0.00 0.00 60.65 59.53 1pfr h LYS 191 Cb 0.07 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 31.74 1pfr h LYS 191 CO -0.04 0.38 -0.05 0.87 -2.27 0.00 0.00 179.45 178.34 1pfr h LYS 192 N 0.59 0.60 -0.32 1.90 1.79 -0.68 -1.77 116.57 118.68 1pfr h LYS 192 Ca 0.24 -0.16 -0.06 0.00 -2.18 0.00 0.00 60.65 58.49 1pfr h LYS 192 Cb 0.11 -0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 30.68 1pfr h LYS 192 CO -0.14 0.66 -0.05 1.25 -1.08 0.00 0.00 179.45 180.08 1pfr h LEU 193 N 0.56 0.59 -0.59 2.94 5.85 -0.80 -1.46 115.31 122.40 1pfr h LEU 193 Ca 0.11 -0.35 0.02 0.00 0.84 0.00 0.00 57.88 58.51 1pfr h LEU 193 Cb 0.43 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.26 1pfr h LEU 193 CO 0.02 0.80 0.37 0.22 -0.34 0.00 0.00 178.44 179.51 1pfr h TYR 194 N 0.38 0.69 -0.31 1.25 3.20 -0.97 0.13 116.97 121.34 1pfr h TYR 194 Ca 0.08 0.02 -0.12 0.00 3.14 0.00 0.00 58.73 61.85 1pfr h TYR 194 Cb 0.53 -0.23 -0.01 0.00 1.54 0.00 0.00 36.73 38.56 1pfr h TYR 194 CO 0.05 0.40 -0.31 -0.07 -1.64 0.00 0.00 178.16 176.59 1pfr h LEU 195 N 0.73 0.67 -0.44 2.82 3.38 -1.25 -0.31 115.31 120.92 1pfr h LEU 195 Ca 0.23 -0.27 -0.17 0.00 0.09 0.00 0.00 57.88 57.77 1pfr h LEU 195 Cb -0.00 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.56 1pfr h LEU 195 CO -0.09 0.94 -0.57 0.00 0.09 0.00 0.00 178.44 178.80 1pfr h LEU 197 N 0.48 0.78 -0.52 0.00 5.85 -0.60 -1.10 115.31 120.21 1pfr h LEU 197 Ca 0.00 -0.06 -0.07 0.00 0.84 0.00 0.00 57.88 58.59 1pfr h LEU 197 Cb 1.14 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.95 1pfr h LEU 197 CO 0.11 0.64 0.06 -0.03 -0.34 0.00 0.00 178.44 178.88 1pfr h MET 198 N 0.88 0.88 -0.16 1.25 4.05 -0.64 -1.03 114.93 120.17 1pfr h MET 198 Ca 0.22 -0.25 -0.11 0.00 -0.28 0.00 0.00 59.70 59.28 1pfr h MET 198 Cb 0.05 -0.09 -0.01 0.00 -0.80 0.00 0.00 31.60 30.74 1pfr h MET 198 CO -0.03 0.88 -0.37 0.77 0.23 0.00 0.00 176.91 178.39 1pfr h SER 199 N 0.76 0.36 -0.14 1.39 0.02 -0.52 -1.21 113.55 114.21 1pfr h SER 199 Ca 0.15 -0.14 -0.14 0.00 -0.84 0.00 0.00 61.79 60.82 1pfr h SER 199 Cb 0.45 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 62.88 1pfr h SER 199 CO 0.02 0.70 -0.42 0.58 -1.14 0.00 0.00 176.83 176.57 1pfr h VAL 200 N 0.29 1.29 -0.29 2.27 2.07 -1.04 -0.01 116.25 120.83 1pfr h VAL 200 Ca 0.03 -1.60 -0.00 0.00 0.82 0.00 0.00 66.70 65.95 1pfr h VAL 200 Cb 0.79 1.53 -0.01 0.00 -1.52 0.00 0.00 31.29 32.07 1pfr h VAL 200 CO 0.06 0.51 0.17 -1.13 0.02 0.00 0.00 177.57 177.21 1pfr h ASN 201 N 0.55 0.36 -0.30 0.57 -1.24 -0.89 0.22 115.58 114.85 1pfr h ASN 201 Ca 0.04 -0.06 -0.01 0.00 0.71 0.00 0.00 56.30 56.98 1pfr h ASN 201 Cb 0.95 -0.09 -0.02 0.00 0.73 0.00 0.00 38.32 39.89 1pfr h ASN 201 CO 0.09 0.31 0.16 0.00 -1.29 0.00 0.00 177.43 176.70 1pfr h ALA 202 N 1.06 1.67 -0.06 1.57 0.00 -0.95 0.99 119.26 123.54 1pfr h ALA 202 Ca 0.11 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1pfr h ALA 202 Cb 0.02 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 1pfr h ALA 202 CO -0.02 0.27 -0.01 1.25 0.00 0.00 0.00 179.25 180.75 1pfr h LEU 203 N 0.46 0.10 -0.16 0.00 6.46 -0.00 0.16 115.31 122.32 1pfr h LEU 203 Ca 0.12 -0.34 -0.13 0.00 -0.12 0.00 0.00 57.88 57.41 1pfr h LEU 203 Cb 0.04 -0.03 0.00 0.00 -0.73 0.00 0.00 40.66 39.94 1pfr h LEU 203 CO -0.02 0.42 -0.42 -0.33 -0.62 0.00 0.00 178.44 177.47 1pfr h GLU 204 N -0.21 0.58 -0.54 1.25 4.39 0.04 -2.98 114.58 117.11 1pfr h GLU 204 Ca 0.02 -0.40 0.01 0.00 0.34 0.00 0.00 59.36 59.33 1pfr h GLU 204 Cb 0.37 0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 29.05 1pfr h GLU 204 CO 0.00 1.02 0.35 0.00 -1.16 0.00 0.00 179.01 179.22 1pfr h ALA 205 N 0.56 0.68 0.00 3.43 0.00 0.10 -3.41 119.26 120.63 1pfr h ALA 205 Ca -0.01 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1pfr h ALA 205 Cb 1.03 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1pfr h ALA 205 CO 0.09 0.10 -0.71 -0.89 0.00 0.00 0.00 179.25 177.84 1pfr n ILE 206 N -4.73 0.00 0.18 0.00 5.41 0.02 -4.70 119.36 115.53 1pfr n ILE 206 Ca 0.03 0.00 0.07 0.00 1.00 0.00 0.00 62.75 63.85 1pfr n ILE 206 Cb 0.04 -0.39 0.58 0.00 -0.71 0.00 0.00 39.64 39.15 1pfr n ILE 206 CO 0.00 0.00 0.00 0.03 0.00 0.00 0.00 176.55 176.58 1pfr h ARG 207 N 0.00 0.16 0.02 0.38 3.08 -1.32 -2.84 114.38 113.87 1pfr h ARG 207 Ca 0.00 -0.01 -0.21 0.00 0.07 0.00 0.00 59.98 59.83 1pfr h ARG 207 Cb 0.71 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.70 1pfr h ARG 207 CO 0.00 0.11 -1.01 0.74 -1.07 0.00 0.00 179.97 178.74 1pfr h PHE 208 N 0.17 0.08 -0.79 3.04 0.04 -1.78 -3.35 116.94 114.36 1pfr h PHE 208 Ca 0.05 -0.06 0.12 0.00 2.80 0.00 0.00 57.97 60.88 1pfr h PHE 208 Cb -0.01 -0.00 -0.08 0.00 2.20 0.00 0.00 35.95 38.06 1pfr h PHE 208 CO -0.00 1.02 0.40 1.88 -0.60 0.00 0.00 178.31 181.01 1pfr h TYR 209 N 0.02 0.71 0.00 -0.55 -1.99 -1.78 0.14 116.97 113.52 1pfr h TYR 209 Ca -0.03 0.03 -0.08 0.00 2.00 0.00 0.00 58.73 60.66 1pfr h TYR 209 Cb 1.75 -0.20 -0.01 0.00 2.00 0.00 0.00 36.73 40.27 1pfr h TYR 209 CO 0.01 0.22 -0.36 0.28 -0.00 0.00 0.00 178.16 178.31 1pfr h VAL 210 N 0.63 1.04 0.00 -2.88 2.07 -1.69 -0.37 116.25 115.06 1pfr h VAL 210 Ca 0.41 -1.34 -0.26 0.00 0.82 0.00 0.00 66.70 66.33 1pfr h VAL 210 Cb 0.50 1.77 0.02 0.00 -1.52 0.00 0.00 31.29 32.06 1pfr h VAL 210 CO -0.31 0.35 -1.01 0.00 0.02 0.00 0.00 177.57 176.62 1pfr h ALA 211 N 1.64 0.12 0.08 1.67 0.00 -1.04 -3.14 119.26 118.59 1pfr h ALA 211 Ca -0.00 -0.69 0.02 0.00 0.00 0.00 0.00 54.91 54.24 1pfr h ALA 211 Cb 0.74 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.54 1pfr h ALA 211 CO 0.05 0.66 -0.30 0.74 0.00 0.00 0.00 179.25 180.40 1pfr h PHE 212 N 0.36 -0.81 -0.84 0.00 0.04 -0.20 -1.60 116.94 113.90 1pfr h PHE 212 Ca -0.13 0.02 0.21 0.00 2.80 0.00 0.00 57.97 60.87 1pfr h PHE 212 Cb 1.67 0.35 -0.15 0.00 2.20 0.00 0.00 35.95 40.02 1pfr h PHE 212 CO 0.11 -0.40 0.07 0.00 -0.60 0.00 0.00 178.31 177.48 1pfr h ALA 213 N 0.22 0.98 -0.44 2.45 0.00 -1.14 0.59 119.26 121.92 1pfr h ALA 213 Ca 0.04 0.26 -0.13 0.00 0.00 0.00 0.00 54.91 55.08 1pfr h ALA 213 Cb 0.54 0.43 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 1pfr h ALA 213 CO -0.20 -0.46 -0.25 0.00 0.00 0.00 0.00 179.25 178.34 1pfr h SER 215 N 0.80 0.08 0.44 0.00 0.02 0.92 -2.73 113.55 113.08 1pfr h SER 215 Ca 0.10 -0.06 -0.03 0.00 -0.84 0.00 0.00 61.79 60.96 1pfr h SER 215 Cb 0.82 -0.02 -0.00 0.00 0.14 0.00 0.00 62.40 63.33 1pfr h SER 215 CO 0.07 0.11 -0.16 -0.26 -1.14 0.00 0.00 176.83 175.46 1pfr h PHE 216 N 0.04 0.00 -0.50 3.45 0.04 -0.12 -2.55 116.94 117.29 1pfr h PHE 216 Ca 0.02 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.78 1pfr h PHE 216 Cb 0.05 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.17 1pfr h PHE 216 CO -0.06 0.16 0.28 0.00 -0.60 0.00 0.00 178.31 178.09 1pfr h ALA 217 N 1.84 0.65 -0.22 2.45 0.00 -0.65 0.16 119.26 123.49 1pfr h ALA 217 Ca -0.00 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1pfr h ALA 217 Cb 0.42 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1pfr h ALA 217 CO 0.02 0.16 0.10 0.74 0.00 0.00 0.00 179.25 180.27 1pfr h PHE 218 N 0.67 0.32 -0.68 0.00 0.04 -1.41 -2.93 116.94 112.95 1pfr h PHE 218 Ca 0.18 -0.02 0.04 0.00 2.80 0.00 0.00 57.97 60.97 1pfr h PHE 218 Cb 0.04 -0.10 -0.05 0.00 2.20 0.00 0.00 35.95 38.04 1pfr h PHE 218 CO -0.02 0.33 0.41 0.00 -0.60 0.00 0.00 178.31 178.44 1pfr h ALA 219 N 0.95 0.90 -0.96 2.45 0.00 -1.19 0.27 119.26 121.68 1pfr h ALA 219 Ca 0.07 -0.01 0.23 0.00 0.00 0.00 0.00 54.91 55.20 1pfr h ALA 219 Cb 0.14 -0.19 -0.08 0.00 0.00 0.00 0.00 17.79 17.66 1pfr h ALA 219 CO -0.01 0.15 0.63 0.93 0.00 0.00 0.00 179.25 180.96 1pfr h GLU 220 N 0.79 0.39 -0.41 0.00 4.39 -0.53 1.09 114.58 120.29 1pfr h GLU 220 Ca 0.28 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.96 1pfr h GLU 220 Cb 0.07 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 28.64 1pfr h GLU 220 CO -0.13 0.26 0.00 0.54 -1.16 0.00 0.00 179.01 178.51 1pfr n ARG 221 N -4.54 1.65 -2.10 2.33 1.74 0.85 -4.89 116.66 111.69 1pfr n ARG 221 Ca 0.22 -0.76 -0.17 0.00 -0.77 0.00 0.00 57.85 56.36 1pfr n ARG 221 Cb 0.78 -1.33 -0.03 0.00 -1.02 0.00 0.00 32.46 30.86 1pfr n ARG 221 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1pfr n GLU 222 N 0.11 -1.34 -4.32 5.56 1.02 0.37 -5.00 120.64 117.05 1pfr n GLU 222 Ca 0.07 0.92 -0.25 0.00 -0.02 0.00 0.00 57.16 57.87 1pfr n GLU 222 Cb 0.27 -5.32 -0.09 0.00 -0.02 0.00 0.00 31.44 26.28 1pfr n GLU 222 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1pfr s LEU 223 N -4.71 2.94 -0.94 -4.62 1.43 -0.63 -4.79 118.68 107.37 1pfr s LEU 223 Ca 0.00 -0.68 -0.10 0.00 -1.03 0.00 0.00 54.13 52.33 1pfr s LEU 223 Cb 0.00 -1.56 0.01 0.00 0.03 0.00 0.00 46.19 44.67 1pfr s LEU 223 CO 0.00 0.07 0.63 0.23 0.23 0.00 0.00 176.35 177.50 1pfr n MET 224 N -0.28 -1.17 0.18 1.70 2.81 -1.26 -3.37 117.12 115.73 1pfr n MET 224 Ca -0.09 0.56 0.12 0.00 -1.81 0.00 0.00 57.70 56.48 1pfr n MET 224 Cb 0.57 -2.34 0.14 0.00 -0.71 0.00 0.00 33.22 30.88 1pfr n MET 224 CO 0.00 0.00 0.00 0.93 1.51 0.00 0.00 175.97 178.41 1pfr h GLU 225 N -0.95 0.00 0.03 0.03 5.08 -1.93 -2.89 114.58 113.94 1pfr h GLU 225 Ca -0.66 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 57.70 1pfr h GLU 225 Cb 1.40 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.65 1pfr h GLU 225 CO 0.41 0.00 -0.01 0.78 -1.00 0.00 0.00 179.01 179.19 1pfr h GLY 226 N 4.05 -0.04 0.17 -3.84 0.00 -1.89 -2.13 103.07 99.39 1pfr h GLY 226 Ca 0.00 0.01 0.11 0.00 0.00 0.00 0.00 47.33 47.45 1pfr h GLY 226 CO 0.00 -0.01 0.09 -0.57 0.00 0.00 0.00 176.54 176.05 1pfr h ASN 227 N -0.62 -0.06 -0.31 0.19 -1.24 -1.89 0.32 115.58 111.96 1pfr h ASN 227 Ca -0.00 0.12 -0.02 0.00 0.71 0.00 0.00 56.30 57.10 1pfr h ASN 227 Cb 0.57 0.17 -0.02 0.00 0.73 0.00 0.00 38.32 39.78 1pfr h ASN 227 CO 0.01 -0.02 0.14 0.00 -1.29 0.00 0.00 177.43 176.27 1pfr h ALA 228 N 1.47 1.57 -0.34 1.57 0.00 -1.53 0.25 119.26 122.25 1pfr h ALA 228 Ca 0.30 -0.11 -0.09 0.00 0.00 0.00 0.00 54.91 55.01 1pfr h ALA 228 Cb 0.45 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1pfr h ALA 228 CO -0.41 0.34 -0.15 0.87 0.00 0.00 0.00 179.25 179.90 1pfr h LYS 229 N 0.51 0.70 -0.56 0.00 1.57 0.25 -2.05 116.57 116.99 1pfr h LYS 229 Ca 0.13 -0.30 -0.08 0.00 -1.87 0.00 0.00 60.65 58.53 1pfr h LYS 229 Cb 0.12 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.38 1pfr h LYS 229 CO -0.01 0.90 0.03 0.82 -0.57 0.00 0.00 179.45 180.62 1pfr h ILE 230 N 0.47 1.26 0.00 1.86 1.08 -0.06 -2.69 117.51 119.43 1pfr h ILE 230 Ca 0.08 -1.07 -0.05 0.00 -0.39 0.00 0.00 64.86 63.42 1pfr h ILE 230 Cb 0.68 0.85 -0.01 0.00 -3.07 0.00 0.00 36.82 35.27 1pfr h ILE 230 CO 0.05 0.39 -0.26 0.40 -0.69 0.00 0.00 178.15 178.04 1pfr h ILE 231 N 0.85 1.14 -0.39 -0.67 1.08 -0.45 -0.67 117.51 118.39 1pfr h ILE 231 Ca 0.16 -0.90 -0.12 0.00 -0.39 0.00 0.00 64.86 63.61 1pfr h ILE 231 Cb 0.50 1.49 -0.01 0.00 -3.07 0.00 0.00 36.82 35.73 1pfr h ILE 231 CO 0.02 0.25 -0.25 -0.09 -0.69 0.00 0.00 178.15 177.39 1pfr h ARG 232 N 0.00 0.82 -0.45 2.37 2.43 -1.06 0.13 114.38 118.62 1pfr h ARG 232 Ca -0.00 -0.35 -0.13 0.00 -0.81 0.00 0.00 59.98 58.69 1pfr h ARG 232 Cb 0.47 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.98 1pfr h ARG 232 CO 0.03 0.98 -0.22 -0.07 -1.51 0.00 0.00 179.97 179.18 1pfr h LEU 233 N 0.70 0.97 -0.05 3.80 3.38 -0.98 -2.38 115.31 120.76 1pfr h LEU 233 Ca 0.09 -0.40 -0.00 0.00 0.09 0.00 0.00 57.88 57.65 1pfr h LEU 233 Cb 0.79 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.27 1pfr h LEU 233 CO 0.07 1.16 0.02 0.40 0.09 0.00 0.00 178.44 180.18 1pfr h ILE 234 N 0.78 1.11 0.00 1.22 2.04 -0.87 -2.31 117.51 119.49 1pfr h ILE 234 Ca 0.10 -0.33 -0.03 0.00 1.00 0.00 0.00 64.86 65.60 1pfr h ILE 234 Cb 0.80 1.25 -0.00 0.00 -0.74 0.00 0.00 36.82 38.12 1pfr h ILE 234 CO 0.07 0.09 -0.14 0.00 0.00 0.00 0.00 178.15 178.17 1pfr h ALA 235 N 0.89 1.73 -0.53 1.87 0.00 -0.73 0.47 119.26 122.97 1pfr h ALA 235 Ca 0.02 -0.13 -0.12 0.00 0.00 0.00 0.00 54.91 54.68 1pfr h ALA 235 Cb 0.13 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1pfr h ALA 235 CO -0.00 0.18 -0.14 -0.09 0.00 0.00 0.00 179.25 179.20 1pfr h ARG 236 N 0.00 1.02 -0.28 0.00 2.43 -1.04 -2.13 114.38 114.37 1pfr h ARG 236 Ca -0.00 -0.39 -0.05 0.00 -0.81 0.00 0.00 59.98 58.73 1pfr h ARG 236 Cb 0.26 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.74 1pfr h ARG 236 CO 0.02 1.08 -0.01 -0.44 -1.51 0.00 0.00 179.97 179.11 1pfr h ASP 237 N 0.90 0.50 -0.81 -3.80 3.32 -0.80 -3.00 116.42 112.74 1pfr h ASP 237 Ca 0.13 -0.32 0.13 0.00 0.02 0.00 0.00 57.03 56.99 1pfr h ASP 237 Cb 0.71 -0.14 -0.06 0.00 0.22 0.00 0.00 39.33 40.06 1pfr h ASP 237 CO 0.05 0.70 0.53 -0.33 -1.72 0.00 0.00 179.24 178.47 1pfr h GLU 238 N 0.29 0.58 -0.79 3.56 3.07 -0.73 -0.12 114.58 120.44 1pfr h GLU 238 Ca 0.08 -0.03 -0.01 0.00 -0.50 0.00 0.00 59.36 58.89 1pfr h GLU 238 Cb 0.45 -0.13 -0.04 0.00 -0.84 0.00 0.00 28.75 28.19 1pfr h GLU 238 CO 0.02 0.38 0.44 0.00 -1.40 0.00 0.00 179.01 178.45 1pfr h ALA 239 N 1.62 1.29 -0.36 3.43 0.00 -1.24 -1.80 119.26 122.19 1pfr h ALA 239 Ca 0.39 -0.11 -0.12 0.00 0.00 0.00 0.00 54.91 55.07 1pfr h ALA 239 Cb 0.68 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1pfr h ALA 239 CO -0.15 0.59 -0.25 -0.07 0.00 0.00 0.00 179.25 179.36 1pfr h LEU 240 N 1.10 0.84 -1.02 0.00 3.38 -1.06 -2.12 115.31 116.43 1pfr h LEU 240 Ca 0.28 -0.43 0.02 0.00 0.09 0.00 0.00 57.88 57.84 1pfr h LEU 240 Cb 0.01 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 40.47 1pfr h LEU 240 CO -0.05 1.10 0.66 0.45 0.09 0.00 0.00 178.44 180.69 1pfr h HIS 241 N 0.59 1.24 -0.33 1.13 3.86 -0.98 -1.46 115.15 119.21 1pfr h HIS 241 Ca 0.07 0.03 -0.15 0.00 -1.16 0.00 0.00 60.37 59.16 1pfr h HIS 241 Cb 0.82 -0.42 -0.01 0.00 1.06 0.00 0.00 27.41 28.86 1pfr h HIS 241 CO 0.06 0.76 -0.41 1.25 0.86 0.00 0.00 177.93 180.45 1pfr h LEU 242 N 1.32 0.88 -1.23 2.43 6.46 -1.28 -1.37 115.31 122.51 1pfr h LEU 242 Ca 0.38 -0.40 0.07 0.00 -0.12 0.00 0.00 57.88 57.80 1pfr h LEU 242 Cb -0.10 -0.25 -0.05 0.00 -0.73 0.00 0.00 40.66 39.53 1pfr h LEU 242 CO -0.10 1.17 0.55 0.74 -0.62 0.00 0.00 178.44 180.18 1pfr h THR 243 N 0.67 1.04 -0.01 1.05 2.02 -0.78 0.59 112.91 117.49 1pfr h THR 243 Ca 0.05 -0.32 -0.00 0.00 0.77 0.00 0.00 66.41 66.91 1pfr h THR 243 Cb 0.97 0.04 -0.00 0.00 -1.74 0.00 0.00 68.15 67.42 1pfr h THR 243 CO 0.09 0.17 -0.00 1.23 0.37 0.00 0.00 175.52 177.38 1pfr h GLY 244 N 0.93 0.01 1.89 2.16 0.00 -0.25 -2.22 103.07 105.59 1pfr h GLY 244 Ca 0.36 -0.01 -0.10 0.00 0.00 0.00 0.00 47.33 47.59 1pfr h GLY 244 CO -0.13 0.01 -0.40 -0.91 0.00 0.00 0.00 176.54 175.10 1pfr h THR 245 N -0.31 1.30 -0.30 4.70 1.35 -0.95 -1.19 112.91 117.51 1pfr h THR 245 Ca 0.00 -1.45 -0.02 0.00 -0.55 0.00 0.00 66.41 64.39 1pfr h THR 245 Cb 0.33 1.71 -0.01 0.00 -1.73 0.00 0.00 68.15 68.45 1pfr h THR 245 CO 0.00 0.43 0.10 1.56 -0.25 0.00 0.00 175.52 177.36 1pfr h GLN 246 N 0.11 0.46 -0.48 4.72 4.20 -0.85 -0.88 115.11 122.39 1pfr h GLN 246 Ca 0.01 -0.10 -0.03 0.00 0.06 0.00 0.00 58.65 58.59 1pfr h GLN 246 Cb 0.76 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.45 1pfr h GLN 246 CO 0.06 0.50 0.17 0.45 -0.67 0.00 0.00 178.83 179.34 1pfr h HIS 247 N 0.33 0.74 -0.41 2.96 3.86 -1.17 -1.33 115.15 120.13 1pfr h HIS 247 Ca 0.10 -0.06 0.02 0.00 -1.16 0.00 0.00 60.37 59.26 1pfr h HIS 247 Cb 0.23 -0.22 -0.03 0.00 1.06 0.00 0.00 27.41 28.46 1pfr h HIS 247 CO 0.00 0.64 0.24 0.52 0.86 0.00 0.00 177.93 180.20 1pfr h MET 248 N 0.63 0.48 -0.04 2.45 2.86 -1.00 -1.29 114.93 119.02 1pfr h MET 248 Ca 0.16 -0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.77 1pfr h MET 248 Cb 0.23 -0.11 -0.00 0.00 0.06 0.00 0.00 31.60 31.78 1pfr h MET 248 CO -0.01 0.32 0.02 -0.07 1.06 0.00 0.00 176.91 178.23 1pfr h LEU 249 N 0.49 0.05 -1.28 1.22 3.38 -1.05 -1.69 115.31 116.43 1pfr h LEU 249 Ca 0.16 -0.09 0.01 0.00 0.09 0.00 0.00 57.88 58.06 1pfr h LEU 249 Cb -0.00 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 40.70 1pfr h LEU 249 CO -0.07 0.12 0.49 0.78 0.09 0.00 0.00 178.44 179.86 1pfr h ASN 250 N -0.02 0.83 -0.21 -0.43 2.35 -0.99 0.00 115.58 117.11 1pfr h ASN 250 Ca 0.02 -0.02 -0.05 0.00 -0.55 0.00 0.00 56.30 55.70 1pfr h ASN 250 Cb 0.08 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.24 1pfr h ASN 250 CO -0.00 0.59 -0.04 -0.07 -1.65 0.00 0.00 177.43 176.26 1pfr h LEU 251 N 0.98 0.41 0.14 1.61 3.38 -1.15 -2.15 115.31 118.52 1pfr h LEU 251 Ca 0.28 -0.36 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 1pfr h LEU 251 Cb -0.07 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.57 1pfr h LEU 251 CO -0.07 0.67 -0.07 -0.07 0.09 0.00 0.00 178.44 179.00 1pfr h LEU 252 N 0.13 -0.16 -1.32 1.67 3.38 -0.86 -3.18 115.31 114.98 1pfr h LEU 252 Ca 0.05 -0.05 0.08 0.00 0.09 0.00 0.00 57.88 58.06 1pfr h LEU 252 Cb 0.49 0.04 -0.05 0.00 0.09 0.00 0.00 40.66 41.23 1pfr h LEU 252 CO 0.02 -0.05 0.52 0.03 0.09 0.00 0.00 178.44 179.05 1pfr h ARG 253 N -0.25 0.77 0.00 1.13 3.08 -0.99 -2.07 114.38 116.04 1pfr h ARG 253 Ca -0.02 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 59.98 1pfr h ARG 253 Cb 0.20 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.07 1pfr h ARG 253 CO 0.03 0.51 0.00 -1.13 -1.07 0.00 0.00 179.97 178.31 1pfr n SER 254 N -4.50 0.48 0.00 7.04 3.41 -0.81 -4.49 113.62 114.74 1pfr n SER 254 Ca 0.13 0.61 0.00 0.00 -0.26 0.00 0.00 58.87 59.35 1pfr n SER 254 Cb 0.28 -0.72 0.00 0.00 -0.26 0.00 0.00 64.21 63.51 1pfr n SER 254 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1pfr n GLY 255 N 0.08 0.64 0.25 5.00 0.00 -0.78 -4.86 105.19 105.52 1pfr n GLY 255 Ca 0.03 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.12 1pfr n GLY 255 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pfr h ALA 256 N 0.00 1.76 0.04 4.61 0.00 -1.81 -3.03 119.26 120.83 1pfr h ALA 256 Ca 0.00 -0.09 -0.38 0.00 0.00 0.00 0.00 54.91 54.45 1pfr h ALA 256 Cb 0.00 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.73 1pfr h ALA 256 CO 0.00 0.12 -2.19 -3.47 0.00 0.00 0.00 179.25 173.71 1pfr n ASP 257 N -4.31 2.01 -3.47 0.00 2.03 -1.25 -4.91 116.55 106.64 1pfr n ASP 257 Ca -0.03 0.13 -0.12 0.00 0.52 0.00 0.00 54.79 55.29 1pfr n ASP 257 Cb 0.17 -0.70 -0.10 0.00 -0.72 0.00 0.00 41.12 39.78 1pfr n ASP 257 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1pfr s ASP 258 N -6.90 0.46 0.27 1.67 2.15 -1.22 -4.76 116.67 108.34 1pfr s ASP 258 Ca -0.31 0.28 0.01 0.00 0.43 0.00 0.00 52.55 52.96 1pfr s ASP 258 Cb 0.09 0.91 0.61 0.00 -0.30 0.00 0.00 42.92 44.23 1pfr s ASP 258 CO 0.63 -0.29 1.74 1.55 -0.17 0.00 0.00 175.17 178.63 1pfr h PRO 259 N 8.23 0.54 0.00 4.34 0.13 -1.88 0.14 132.00 143.49 1pfr h PRO 259 Ca -0.18 -0.03 -0.00 0.00 -0.87 0.00 0.00 66.00 64.92 1pfr h PRO 259 Cb 1.14 -0.12 -0.00 0.00 0.13 0.00 0.00 31.00 32.15 1pfr h PRO 259 CO 0.23 0.36 -0.01 1.49 -0.23 0.00 0.00 178.00 179.84 1pfr h GLU 260 N 0.56 0.00 0.00 0.86 4.81 -1.95 -1.62 114.58 117.23 1pfr h GLU 260 Ca 0.50 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.70 1pfr h GLU 260 Cb 0.80 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.18 1pfr h GLU 260 CO -0.42 0.01 -0.13 0.52 -0.73 0.00 0.00 179.01 178.26 1pfr h MET 261 N 0.00 0.00 -0.10 1.92 2.86 -0.99 -1.81 114.93 116.81 1pfr h MET 261 Ca -0.00 0.00 -0.23 0.00 -2.06 0.00 0.00 59.70 57.41 1pfr h MET 261 Cb 0.02 0.00 0.01 0.00 0.06 0.00 0.00 31.60 31.69 1pfr h MET 261 CO 0.00 0.13 -0.85 0.00 1.06 0.00 0.00 176.91 177.26 1pfr h ALA 262 N 1.87 0.31 -0.34 6.32 0.00 -1.32 -0.88 119.26 125.21 1pfr h ALA 262 Ca -0.00 -0.63 -0.03 0.00 0.00 0.00 0.00 54.91 54.25 1pfr h ALA 262 Cb 0.56 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1pfr h ALA 262 CO 0.02 0.70 0.10 0.93 0.00 0.00 0.00 179.25 181.00 1pfr h GLU 263 N 0.45 0.54 -0.55 0.00 5.08 -1.44 -2.59 114.58 116.08 1pfr h GLU 263 Ca -0.07 -0.12 -0.04 0.00 -1.00 0.00 0.00 59.36 58.12 1pfr h GLU 263 Cb 1.47 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 30.62 1pfr h GLU 263 CO 0.17 0.58 0.16 0.82 -1.00 0.00 0.00 179.01 179.74 1pfr h ILE 264 N 0.40 1.22 -0.52 3.13 2.04 -1.29 -1.89 117.51 120.60 1pfr h ILE 264 Ca 0.11 -0.76 -0.03 0.00 1.00 0.00 0.00 64.86 65.18 1pfr h ILE 264 Cb 0.27 0.62 -0.02 0.00 -0.74 0.00 0.00 36.82 36.96 1pfr h ILE 264 CO -0.00 0.29 0.21 0.00 0.00 0.00 0.00 178.15 178.65 1pfr h ALA 265 N 1.37 0.68 -0.08 1.87 0.00 -0.86 -1.51 119.26 120.72 1pfr h ALA 265 Ca 0.18 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1pfr h ALA 265 Cb 0.25 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 1pfr h ALA 265 CO -0.01 0.29 0.01 0.93 0.00 0.00 0.00 179.25 180.47 1pfr h GLU 266 N 0.71 0.14 -0.98 0.00 4.39 -1.22 -1.63 114.58 115.98 1pfr h GLU 266 Ca 0.17 -0.04 0.13 0.00 0.34 0.00 0.00 59.36 59.97 1pfr h GLU 266 Cb 0.19 -0.02 -0.09 0.00 -0.10 0.00 0.00 28.75 28.74 1pfr h GLU 266 CO -0.01 0.38 0.61 0.93 -1.16 0.00 0.00 179.01 179.75 1pfr h GLU 267 N -0.11 0.89 0.00 2.33 5.08 -1.28 -2.34 114.58 119.15 1pfr h GLU 267 Ca 0.02 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1pfr h GLU 267 Cb 0.31 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.36 1pfr h GLU 267 CO 0.00 0.59 -0.00 0.00 -1.00 0.00 0.00 179.01 178.60 1pfr n LYS 269 N -2.18 -0.25 -0.25 0.00 5.02 -0.63 -1.53 118.16 118.34 1pfr n LYS 269 Ca 0.06 1.13 0.04 0.00 -2.02 0.00 0.00 58.31 57.52 1pfr n LYS 269 Cb 0.42 -1.67 0.17 0.00 -0.02 0.00 0.00 35.03 33.93 1pfr n LYS 269 CO 0.00 0.00 0.00 0.37 -0.52 0.00 0.00 177.40 177.25 1pfr h GLN 270 N 0.00 0.46 -0.08 1.97 5.75 -1.82 0.66 115.11 122.04 1pfr h GLN 270 Ca 0.09 -0.03 -0.10 0.00 -0.15 0.00 0.00 58.65 58.47 1pfr h GLN 270 Cb 0.23 -0.10 -0.01 0.00 1.07 0.00 0.00 27.48 28.67 1pfr h GLN 270 CO -0.53 0.30 -0.39 1.49 -2.65 0.00 0.00 178.83 177.05 1pfr h GLU 271 N 0.47 0.16 -0.35 1.69 4.81 -1.59 0.47 114.58 120.24 1pfr h GLU 271 Ca 0.39 -0.07 -0.05 0.00 -0.13 0.00 0.00 59.36 59.50 1pfr h GLU 271 Cb 0.56 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.92 1pfr h GLU 271 CO -0.37 0.53 0.02 0.00 -0.73 0.00 0.00 179.01 178.46 1pfr h TYR 273 N 0.43 0.60 -0.89 0.00 5.03 -0.59 -1.33 116.97 120.21 1pfr h TYR 273 Ca 0.10 -0.00 0.01 0.00 2.58 0.00 0.00 58.73 61.42 1pfr h TYR 273 Cb 0.42 -0.20 -0.04 0.00 1.55 0.00 0.00 36.73 38.46 1pfr h TYR 273 CO 0.03 0.42 0.58 -0.44 -1.32 0.00 0.00 178.16 177.43 1pfr h ASP 274 N 0.60 1.03 -0.67 -2.11 3.32 0.58 -1.90 116.42 117.27 1pfr h ASP 274 Ca 0.16 -0.03 -0.08 0.00 0.02 0.00 0.00 57.03 57.10 1pfr h ASP 274 Cb -0.01 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.26 1pfr h ASP 274 CO -0.03 0.75 0.11 0.17 -1.72 0.00 0.00 179.24 178.52 1pfr h LEU 275 N 1.21 1.07 -0.41 1.55 8.10 0.04 -0.04 115.31 126.83 1pfr h LEU 275 Ca 0.33 -0.26 -0.05 0.00 0.11 0.00 0.00 57.88 58.00 1pfr h LEU 275 Cb -0.13 -0.28 -0.02 0.00 -0.44 0.00 0.00 40.66 39.79 1pfr h LEU 275 CO -0.07 1.06 0.05 -0.26 -4.11 0.00 0.00 178.44 175.11 1pfr h PHE 276 N 1.04 0.73 -0.50 0.17 0.04 -1.08 0.11 116.94 117.44 1pfr h PHE 276 Ca 0.20 -0.11 -0.03 0.00 2.80 0.00 0.00 57.97 60.84 1pfr h PHE 276 Cb 0.44 -0.20 -0.02 0.00 2.20 0.00 0.00 35.95 38.37 1pfr h PHE 276 CO 0.03 0.72 0.20 0.28 -0.60 0.00 0.00 178.31 178.94 1pfr h VAL 277 N 0.53 1.21 -0.74 -0.55 2.07 -1.26 -0.21 116.25 117.31 1pfr h VAL 277 Ca 0.12 -0.67 0.04 0.00 0.82 0.00 0.00 66.70 67.01 1pfr h VAL 277 Cb 0.40 0.72 -0.05 0.00 -1.52 0.00 0.00 31.29 30.84 1pfr h VAL 277 CO 0.01 0.25 0.46 -0.61 0.02 0.00 0.00 177.57 177.70 1pfr h GLN 278 N 0.67 0.85 0.20 1.57 5.75 -0.64 0.62 115.11 124.12 1pfr h GLN 278 Ca 0.17 -0.05 0.01 0.00 -0.15 0.00 0.00 58.65 58.62 1pfr h GLN 278 Cb 0.20 -0.19 -0.02 0.00 1.07 0.00 0.00 27.48 28.54 1pfr h GLN 278 CO -0.01 0.56 -0.22 0.00 -2.65 0.00 0.00 178.83 176.50 1pfr h ALA 279 N 1.33 -0.44 -0.68 3.38 0.00 -0.26 -2.31 119.26 120.27 1pfr h ALA 279 Ca 0.30 -0.06 0.13 0.00 0.00 0.00 0.00 54.91 55.29 1pfr h ALA 279 Cb 0.06 0.33 -0.09 0.00 0.00 0.00 0.00 17.79 18.09 1pfr h ALA 279 CO -0.13 -0.78 0.21 0.00 0.00 0.00 0.00 179.25 178.55 1pfr h ALA 280 N 0.26 0.89 0.00 0.00 0.00 -0.38 0.38 119.26 120.41 1pfr h ALA 280 Ca 0.01 0.13 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 1pfr h ALA 280 Cb 0.45 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1pfr h ALA 280 CO -0.07 -0.27 -0.18 1.96 0.00 0.00 0.00 179.25 180.70 1pfr h GLN 281 N 0.34 0.00 -0.23 0.00 1.08 -0.56 -1.93 115.11 113.81 1pfr h GLN 281 Ca 0.37 0.00 -0.09 0.00 -1.45 0.00 0.00 58.65 57.48 1pfr h GLN 281 Cb 0.57 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.99 1pfr h GLN 281 CO -0.42 0.18 -0.21 1.96 -0.95 0.00 0.00 178.83 179.39 1pfr h GLN 282 N 0.00 0.55 -0.68 1.46 4.20 -0.40 -1.13 115.11 119.10 1pfr h GLN 282 Ca -0.00 -0.28 0.08 0.00 0.06 0.00 0.00 58.65 58.51 1pfr h GLN 282 Cb 0.36 0.01 -0.07 0.00 0.30 0.00 0.00 27.48 28.08 1pfr h GLN 282 CO 0.02 0.86 0.35 0.93 -0.67 0.00 0.00 178.83 180.32 1pfr h GLU 283 N 0.24 0.59 0.11 1.46 4.39 -0.68 0.29 114.58 120.99 1pfr h GLU 283 Ca 0.04 -0.04 0.02 0.00 0.34 0.00 0.00 59.36 59.72 1pfr h GLU 283 Cb 0.75 -0.13 -0.03 0.00 -0.10 0.00 0.00 28.75 29.24 1pfr h GLU 283 CO 0.05 0.39 -0.21 0.87 -1.16 0.00 0.00 179.01 178.95 1pfr h LYS 284 N 0.61 -0.38 -0.45 2.33 1.57 -1.14 0.48 116.57 119.59 1pfr h LYS 284 Ca 0.33 0.03 0.03 0.00 -1.87 0.00 0.00 60.65 59.16 1pfr h LYS 284 Cb 0.30 0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.68 1pfr h LYS 284 CO -0.24 -0.26 0.30 -0.44 -0.57 0.00 0.00 179.45 178.24 1pfr h ASP 285 N -0.40 0.42 -0.36 0.86 3.32 -0.74 0.17 116.42 119.70 1pfr h ASP 285 Ca 0.03 -0.01 -0.13 0.00 0.02 0.00 0.00 57.03 56.94 1pfr h ASP 285 Cb 0.42 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.86 1pfr h ASP 285 CO -0.12 0.29 -0.25 -0.25 -1.72 0.00 0.00 179.24 177.19 1pfr h TRP 286 N 0.49 0.99 -0.27 4.55 -0.00 0.13 -0.68 115.95 121.16 1pfr h TRP 286 Ca 0.18 -0.24 -0.09 0.00 -0.00 0.00 0.00 58.89 58.74 1pfr h TRP 286 Cb 0.11 -0.23 -0.01 0.00 -0.00 0.00 0.00 29.16 29.04 1pfr h TRP 286 CO -0.00 1.02 -0.19 0.00 -0.00 0.00 0.00 178.44 179.27 1pfr h ALA 287 N 0.97 0.38 -0.14 2.65 0.00 0.17 -0.09 119.26 123.20 1pfr h ALA 287 Ca 0.09 -0.35 0.04 0.00 0.00 0.00 0.00 54.91 54.70 1pfr h ALA 287 Cb 0.79 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 1pfr h ALA 287 CO 0.07 0.31 0.11 0.22 0.00 0.00 0.00 179.25 179.96 1pfr h ASP 288 N 0.33 0.00 0.37 0.00 1.82 -0.56 -1.26 116.42 117.12 1pfr h ASP 288 Ca 0.05 0.00 -0.02 0.00 -0.39 0.00 0.00 57.03 56.67 1pfr h ASP 288 Cb 0.73 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.74 1pfr h ASP 288 CO 0.05 0.00 -0.18 0.22 -1.61 0.00 0.00 179.24 177.72 1pfr h TYR 289 N 0.00 -0.46 -0.86 0.28 3.20 -0.33 -3.07 116.97 115.73 1pfr h TYR 289 Ca 0.07 -0.01 0.20 0.00 3.14 0.00 0.00 58.73 62.13 1pfr h TYR 289 Cb 0.29 0.15 -0.15 0.00 1.54 0.00 0.00 36.73 38.56 1pfr h TYR 289 CO 0.00 -0.29 -0.03 -0.07 -1.64 0.00 0.00 178.16 176.14 1pfr h LEU 290 N -1.06 -0.47 -3.71 2.82 -0.00 -0.50 -0.89 115.31 111.50 1pfr h LEU 290 Ca -0.05 0.24 -0.48 0.00 -0.00 0.00 0.00 57.88 57.59 1pfr h LEU 290 Cb 0.38 0.43 -0.24 0.00 -0.00 0.00 0.00 40.66 41.22 1pfr h LEU 290 CO 0.08 -0.25 0.61 0.49 -0.00 0.00 0.00 178.44 179.37 1pfr n PHE 291 N -5.43 2.56 0.11 1.13 3.01 -0.52 -4.25 117.46 114.07 1pfr n PHE 291 Ca 0.17 -2.05 -0.23 0.00 1.01 0.00 0.00 57.45 56.34 1pfr n PHE 291 Cb 0.56 -1.02 -0.15 0.00 -0.01 0.00 0.00 39.48 38.87 1pfr n PHE 291 CO 0.00 0.00 0.00 0.07 1.01 0.00 0.00 176.76 177.84 1pfr h ARG 292 N 1.24 0.55 -0.04 -1.08 0.11 -1.05 -3.21 114.38 110.90 1pfr h ARG 292 Ca 0.51 -0.85 0.00 0.00 0.10 0.00 0.00 59.98 59.74 1pfr h ARG 292 Cb 1.80 0.30 0.00 0.00 1.11 0.00 0.00 29.97 33.18 1pfr h ARG 292 CO 1.07 1.40 0.00 -0.25 0.10 0.00 0.00 179.97 182.29 1pfr n ASP 293 N -3.80 0.15 0.00 0.08 9.92 -1.26 -4.97 116.55 116.67 1pfr n ASP 293 Ca -0.15 -2.00 0.00 0.00 -0.53 0.00 0.00 54.79 52.11 1pfr n ASP 293 Cb 1.02 -0.02 0.00 0.00 -0.64 0.00 0.00 41.12 41.48 1pfr n ASP 293 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1pfr n GLY 294 N 0.53 2.78 3.57 0.44 0.00 -1.21 -4.90 105.19 106.40 1pfr n GLY 294 Ca 0.01 -1.60 -0.31 0.00 0.00 0.00 0.00 46.02 44.11 1pfr n GLY 294 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1pfr n SER 295 N 0.00 -0.56 -4.90 1.61 7.64 -1.26 -4.73 113.62 111.42 1pfr n SER 295 Ca 0.00 0.33 -0.21 0.00 1.01 0.00 0.00 58.87 60.00 1pfr n SER 295 Cb 0.00 -1.37 -0.03 0.00 -1.01 0.00 0.00 64.21 61.80 1pfr n SER 295 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1pfr s MET 296 N -4.32 3.09 0.08 1.43 0.23 -1.18 -4.94 119.30 113.69 1pfr s MET 296 Ca 0.64 -0.98 -0.31 0.00 -1.03 0.00 0.00 55.69 54.01 1pfr s MET 296 Cb -0.22 -2.69 -0.07 0.00 -1.53 0.00 0.00 34.83 30.32 1pfr s MET 296 CO 0.61 0.32 1.32 -1.50 -2.03 0.00 0.00 175.02 173.75 1pfr s ILE 297 N -2.11 3.63 0.00 3.16 1.10 -1.26 -3.03 121.20 122.69 1pfr s ILE 297 Ca 0.36 1.15 0.00 0.00 -0.51 0.00 0.00 60.65 61.65 1pfr s ILE 297 Cb -0.08 -3.74 0.00 0.00 0.15 0.00 0.00 42.46 38.79 1pfr s ILE 297 CO 0.27 0.08 0.00 0.61 -2.11 0.00 0.00 174.94 173.79 1pfr n GLY 298 N 3.41 0.63 3.00 1.50 0.00 -1.26 -4.90 105.19 107.58 1pfr n GLY 298 Ca 0.11 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.01 1pfr n GLY 298 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1pfr s LEU 299 N 0.00 1.68 0.23 0.99 2.96 -1.17 -5.09 118.68 118.28 1pfr s LEU 299 Ca 0.00 0.05 -0.02 0.00 -0.22 0.00 0.00 54.13 53.93 1pfr s LEU 299 Cb 0.00 0.38 -0.03 0.00 0.50 0.00 0.00 46.19 47.04 1pfr s LEU 299 CO 0.00 -0.13 0.23 0.54 -1.32 0.00 0.00 176.35 175.67 1pfr s ASN 300 N -0.39 0.31 0.16 3.68 2.20 -1.26 -3.12 114.94 116.52 1pfr s ASN 300 Ca -0.05 -1.35 -0.18 0.00 -0.94 0.00 0.00 52.86 50.34 1pfr s ASN 300 Cb -0.03 0.45 0.08 0.00 -2.00 0.00 0.00 41.25 39.75 1pfr s ASN 300 CO 0.00 -0.94 1.66 0.50 -2.94 0.00 0.00 177.10 175.38 1pfr h LYS 301 N 2.47 -0.07 -0.90 3.55 3.64 -1.92 -1.87 116.57 121.48 1pfr h LYS 301 Ca -0.33 0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.08 1pfr h LYS 301 Cb 1.25 0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 33.03 1pfr h LYS 301 CO 0.47 -0.04 0.59 -0.44 -2.27 0.00 0.00 179.45 177.76 1pfr h ASP 302 N -0.07 1.00 0.13 4.20 3.32 -1.97 -0.48 116.42 122.55 1pfr h ASP 302 Ca 0.18 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.21 1pfr h ASP 302 Cb 0.34 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.66 1pfr h ASP 302 CO -0.40 0.70 -0.06 0.40 -1.72 0.00 0.00 179.24 178.15 1pfr h ILE 303 N 1.17 1.00 -0.49 0.35 2.04 -1.91 -1.68 117.51 117.98 1pfr h ILE 303 Ca 0.35 -0.55 0.10 0.00 1.00 0.00 0.00 64.86 65.76 1pfr h ILE 303 Cb -0.05 1.34 -0.10 0.00 -0.74 0.00 0.00 36.82 37.27 1pfr h ILE 303 CO -0.10 0.13 -0.20 0.25 0.00 0.00 0.00 178.15 178.22 1pfr h LEU 304 N -0.43 -0.71 -1.39 1.44 6.46 -1.07 0.29 115.31 119.89 1pfr h LEU 304 Ca -0.02 0.17 -0.01 0.00 -0.12 0.00 0.00 57.88 57.90 1pfr h LEU 304 Cb 0.35 0.40 -0.02 0.00 -0.73 0.00 0.00 40.66 40.66 1pfr h LEU 304 CO 0.03 -0.23 0.24 0.00 -0.62 0.00 0.00 178.44 177.86 1pfr h GLN 306 N 0.66 1.02 -0.97 0.00 1.08 0.25 -2.43 115.11 114.72 1pfr h GLN 306 Ca 0.17 -0.38 0.00 0.00 -1.45 0.00 0.00 58.65 56.99 1pfr h GLN 306 Cb 0.05 -0.06 -0.05 0.00 -0.05 0.00 0.00 27.48 27.37 1pfr h GLN 306 CO -0.02 1.07 0.62 -0.92 -0.95 0.00 0.00 178.83 178.63 1pfr h TYR 307 N 0.89 1.24 -0.49 2.96 3.20 0.15 -0.57 116.97 124.35 1pfr h TYR 307 Ca 0.14 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.01 1pfr h TYR 307 Cb 0.69 -0.42 -0.02 0.00 1.54 0.00 0.00 36.73 38.52 1pfr h TYR 307 CO 0.05 0.80 0.25 0.28 -1.64 0.00 0.00 178.16 177.90 1pfr h VAL 308 N 1.32 1.18 -0.81 1.81 2.07 -0.52 -1.31 116.25 119.99 1pfr h VAL 308 Ca 0.35 -0.47 -0.02 0.00 0.82 0.00 0.00 66.70 67.38 1pfr h VAL 308 Cb -0.12 0.60 -0.04 0.00 -1.52 0.00 0.00 31.29 30.21 1pfr h VAL 308 CO -0.07 0.19 0.42 -0.33 0.02 0.00 0.00 177.57 177.80 1pfr h GLU 309 N 0.64 1.14 -0.24 1.57 5.08 -1.01 0.18 114.58 121.94 1pfr h GLU 309 Ca 0.17 -0.15 -0.06 0.00 -1.00 0.00 0.00 59.36 58.32 1pfr h GLU 309 Cb 0.08 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.10 1pfr h GLU 309 CO -0.03 0.86 -0.10 -0.92 -1.00 0.00 0.00 179.01 177.83 1pfr h TYR 310 N 1.14 0.57 -0.16 4.33 3.20 -0.70 -2.68 116.97 122.68 1pfr h TYR 310 Ca 0.28 -0.14 -0.17 0.00 3.14 0.00 0.00 58.73 61.85 1pfr h TYR 310 Cb 0.07 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.20 1pfr h TYR 310 CO 0.01 0.75 -0.59 0.97 -1.64 0.00 0.00 178.16 177.66 1pfr h ILE 311 N 0.23 1.33 -0.53 1.81 6.09 -0.91 -3.04 117.51 122.49 1pfr h ILE 311 Ca 0.06 -1.87 0.01 0.00 -1.37 0.00 0.00 64.86 61.70 1pfr h ILE 311 Cb 0.59 1.84 -0.03 0.00 0.47 0.00 0.00 36.82 39.69 1pfr h ILE 311 CO 0.03 0.58 0.34 0.74 -3.07 0.00 0.00 178.15 176.77 1pfr h THR 312 N 0.40 1.10 -0.35 2.19 2.02 -0.66 -0.99 112.91 116.62 1pfr h THR 312 Ca -0.00 -0.23 -0.02 0.00 0.77 0.00 0.00 66.41 66.93 1pfr h THR 312 Cb 1.14 0.36 -0.02 0.00 -1.74 0.00 0.00 68.15 67.89 1pfr h THR 312 CO 0.11 0.12 0.15 0.78 0.37 0.00 0.00 175.52 177.05 1pfr h ASN 313 N 0.68 0.44 0.36 4.18 2.35 -1.43 -0.29 115.58 121.87 1pfr h ASN 313 Ca 0.20 -0.04 -0.02 0.00 -0.55 0.00 0.00 56.30 55.90 1pfr h ASN 313 Cb -0.03 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 38.23 1pfr h ASN 313 CO -0.07 0.39 -0.17 0.40 -1.65 0.00 0.00 177.43 176.34 1pfr h ILE 314 N 0.49 0.54 -0.81 2.81 1.08 -1.20 -2.61 117.51 117.81 1pfr h ILE 314 Ca 0.12 -0.64 0.07 0.00 -0.39 0.00 0.00 64.86 64.02 1pfr h ILE 314 Cb 0.09 0.80 -0.06 0.00 -3.07 0.00 0.00 36.82 34.58 1pfr h ILE 314 CO -0.01 0.10 0.48 0.03 -0.69 0.00 0.00 178.15 178.06 1pfr h ARG 315 N -0.90 0.83 -0.49 2.37 2.47 -0.99 -1.88 114.38 115.80 1pfr h ARG 315 Ca -0.05 -0.05 -0.00 0.00 -1.26 0.00 0.00 59.98 58.62 1pfr h ARG 315 Cb 0.53 -0.19 -0.02 0.00 -1.65 0.00 0.00 29.97 28.64 1pfr h ARG 315 CO 0.08 0.55 0.30 0.52 0.56 0.00 0.00 179.97 181.98 1pfr h MET 316 N 0.85 0.65 -0.58 0.04 2.86 -1.08 -2.34 114.93 115.34 1pfr h MET 316 Ca 0.36 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.94 1pfr h MET 316 Cb 0.23 -0.14 -0.03 0.00 0.06 0.00 0.00 31.60 31.72 1pfr h MET 316 CO -0.20 0.47 0.34 0.37 1.06 0.00 0.00 176.91 178.94 1pfr h GLN 317 N 0.65 0.79 -0.14 1.72 4.15 -1.07 -1.53 115.11 119.69 1pfr h GLN 317 Ca 0.18 -0.08 0.04 0.00 0.77 0.00 0.00 58.65 59.56 1pfr h GLN 317 Cb -0.03 -0.16 -0.01 0.00 0.21 0.00 0.00 27.48 27.49 1pfr h GLN 317 CO -0.03 0.59 0.28 0.00 -1.93 0.00 0.00 178.83 177.73 1pfr h ALA 318 N 1.16 1.60 -0.09 3.38 0.00 -0.79 -0.34 119.26 124.19 1pfr h ALA 318 Ca 0.21 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 1pfr h ALA 318 Cb 0.01 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1pfr h ALA 318 CO -0.04 -0.36 -0.14 1.33 0.00 0.00 0.00 179.25 180.05 1pfr n VAL 319 N -3.36 2.13 -1.80 0.00 0.24 -0.78 -4.96 118.33 109.80 1pfr n VAL 319 Ca 0.01 -2.53 -0.17 0.00 -2.04 0.00 0.00 64.34 59.61 1pfr n VAL 319 Cb 0.38 -0.25 -0.05 0.00 -1.47 0.00 0.00 33.84 32.45 1pfr n VAL 319 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1pfr n GLY 320 N -1.17 0.96 3.89 7.63 0.00 -0.14 -4.99 105.19 111.38 1pfr n GLY 320 Ca 0.20 -0.18 -0.30 0.00 0.00 0.00 0.00 46.02 45.74 1pfr n GLY 320 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pfr s LEU 321 N -4.30 4.05 0.54 0.99 1.43 -0.65 -5.00 118.68 115.73 1pfr s LEU 321 Ca 0.00 0.86 -0.21 0.00 -1.03 0.00 0.00 54.13 53.76 1pfr s LEU 321 Cb 0.00 -3.67 -0.05 0.00 0.03 0.00 0.00 46.19 42.49 1pfr s LEU 321 CO 0.00 -0.20 1.20 -1.81 0.23 0.00 0.00 176.35 175.77 1pfr s ASP 322 N -2.91 5.59 -0.06 2.29 1.01 -1.26 -4.09 116.67 117.25 1pfr s ASP 322 Ca 0.46 2.38 -0.30 0.00 0.71 0.00 0.00 52.55 55.81 1pfr s ASP 322 Cb -0.11 -2.60 -0.02 0.00 1.01 0.00 0.00 42.92 41.20 1pfr s ASP 322 CO 0.27 -1.32 0.99 -0.76 0.21 0.00 0.00 175.17 174.56 1pfr s LEU 323 N -3.63 4.30 0.10 1.23 1.43 -1.26 -4.89 118.68 115.96 1pfr s LEU 323 Ca 0.72 1.57 0.24 0.00 -1.03 0.00 0.00 54.13 55.63 1pfr s LEU 323 Cb -0.30 -3.55 0.39 0.00 0.03 0.00 0.00 46.19 42.77 1pfr s LEU 323 CO 0.34 -0.36 1.35 -0.81 0.23 0.00 0.00 176.35 177.11 1pfr n PRO 324 N 4.50 0.25 -4.49 1.29 -0.04 -1.26 -4.94 135.00 130.30 1pfr n PRO 324 Ca 0.07 0.07 -0.24 0.00 -0.04 0.00 0.00 63.50 63.36 1pfr n PRO 324 Cb 0.50 -1.66 -0.10 0.00 -0.04 0.00 0.00 33.50 32.20 1pfr n PRO 324 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1pfr s PHE 325 N -3.14 2.26 0.14 0.54 0.08 -1.26 -5.11 117.98 111.49 1pfr s PHE 325 Ca 0.07 -0.50 -0.31 0.00 0.12 0.00 0.00 56.93 56.31 1pfr s PHE 325 Cb 0.14 -1.21 -0.08 0.00 -0.57 0.00 0.00 43.02 41.30 1pfr s PHE 325 CO 0.71 0.55 1.38 -0.65 -0.10 0.00 0.00 175.22 177.11 1pfr s GLN 326 N -3.61 4.33 0.43 0.44 -0.21 -1.26 -4.95 119.66 114.82 1pfr s GLN 326 Ca 0.31 2.10 -0.25 0.00 0.02 0.00 0.00 55.36 57.53 1pfr s GLN 326 Cb 0.01 -3.22 -0.09 0.00 1.00 0.00 0.00 33.01 30.70 1pfr s GLN 326 CO 0.15 -0.41 1.34 2.41 -2.12 0.00 0.00 175.29 176.66 1pfr n THR 327 N 3.58 2.63 -3.92 -0.19 -1.04 -1.26 -4.93 114.28 109.15 1pfr n THR 327 Ca 0.10 -0.50 -0.09 0.00 -2.04 0.00 0.00 64.05 61.52 1pfr n THR 327 Cb 0.42 -1.69 -0.05 0.00 -1.82 0.00 0.00 70.33 67.20 1pfr n THR 327 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1pfr s ARG 328 N -2.29 1.46 0.57 -2.82 1.70 -1.26 -5.15 118.95 111.15 1pfr s ARG 328 Ca 0.61 -1.12 -0.05 0.00 -0.47 0.00 0.00 55.73 54.70 1pfr s ARG 328 Cb -0.48 0.48 0.01 0.00 -0.57 0.00 0.00 34.95 34.38 1pfr s ARG 328 CO 0.58 -0.61 0.86 0.45 -1.08 0.00 0.00 175.30 175.51 1pfr s SER 329 N -2.97 5.60 0.03 -2.89 0.15 -1.26 -4.97 113.70 107.39 1pfr s SER 329 Ca 0.18 0.61 -0.30 0.00 0.70 0.00 0.00 55.95 57.13 1pfr s SER 329 Cb -0.00 -1.63 -0.07 0.00 -1.71 0.00 0.00 66.02 62.60 1pfr s SER 329 CO 0.04 -1.02 1.55 0.21 1.20 0.00 0.00 173.24 175.23 1pfr s ASN 330 N -4.30 6.70 0.13 5.45 3.04 -1.26 -4.88 114.94 119.82 1pfr s ASN 330 Ca 0.53 2.32 0.22 0.00 0.04 0.00 0.00 52.86 55.97 1pfr s ASN 330 Cb -0.10 -2.56 0.88 0.00 -1.54 0.00 0.00 41.25 37.93 1pfr s ASN 330 CO 0.44 -0.83 1.69 -0.81 -3.04 0.00 0.00 177.10 174.55 1pfr n PRO 331 N 5.64 0.11 -3.22 0.43 -0.04 -1.26 -4.11 135.00 132.55 1pfr n PRO 331 Ca 0.15 0.26 -0.24 0.00 -0.04 0.00 0.00 63.50 63.62 1pfr n PRO 331 Cb 0.42 -1.68 -0.07 0.00 -0.04 0.00 0.00 33.50 32.13 1pfr n PRO 331 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 1pfr n ILE 332 N -1.89 -0.46 -0.11 0.52 -5.35 -1.26 -4.95 119.36 105.86 1pfr n ILE 332 Ca 0.04 -4.09 0.26 0.00 -0.27 0.00 0.00 62.75 58.69 1pfr n ILE 332 Cb 0.27 -1.96 0.72 0.00 -1.74 0.00 0.00 39.64 36.93 1pfr n ILE 332 CO 0.00 0.00 0.00 -0.65 -1.76 0.00 0.00 176.55 174.14 1pfr h PRO 333 N 4.08 0.00 0.00 6.28 0.11 -2.00 0.65 132.00 141.13 1pfr h PRO 333 Ca 0.09 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.20 1pfr h PRO 333 Cb 0.86 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.97 1pfr h PRO 333 CO 0.49 0.00 0.00 -2.67 -0.21 0.00 0.00 178.00 175.61 1pfr n TRP 334 N -4.22 0.04 0.15 0.65 4.27 -1.26 -2.01 117.44 115.05 1pfr n TRP 334 Ca 0.16 0.02 0.00 0.00 -3.89 0.00 0.00 57.50 53.79 1pfr n TRP 334 Cb 0.86 -0.53 0.20 0.00 -1.36 0.00 0.00 31.31 30.48 1pfr n TRP 334 CO 0.00 0.00 0.00 0.97 -2.29 0.00 0.00 177.69 176.37 1pfr h ILE 335 N 0.00 1.32 -0.05 -1.67 2.10 -1.30 -3.15 117.51 114.77 1pfr h ILE 335 Ca 0.00 -2.02 0.01 0.00 1.08 0.00 0.00 64.86 63.93 1pfr h ILE 335 Cb 0.06 2.12 -0.00 0.00 -1.09 0.00 0.00 36.82 37.91 1pfr h ILE 335 CO 0.00 0.56 0.14 0.78 -1.08 0.00 0.00 178.15 178.55 1pfr h ASN 336 N 0.00 0.00 0.86 2.19 -0.26 -1.62 0.57 115.58 117.32 1pfr h ASN 336 Ca -0.01 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.73 1pfr h ASN 336 Cb 1.07 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.33 1pfr h ASN 336 CO 0.07 0.00 0.00 0.74 -1.06 0.00 0.00 177.43 177.18 1pfr h THR 337 N 0.00 0.00 0.00 2.81 2.02 -1.76 -3.21 112.91 112.78 1pfr h THR 337 Ca 0.02 -0.43 0.00 0.00 0.77 0.00 0.00 66.41 66.78 1pfr h THR 337 Cb 0.31 1.42 0.00 0.00 -1.74 0.00 0.00 68.15 68.13 1pfr h THR 337 CO -0.00 0.00 -1.05 0.79 0.37 0.00 0.00 175.52 175.63 1pfr n TRP 338 N -3.06 0.00 -3.28 3.16 7.02 0.16 -5.04 117.44 116.39 1pfr n TRP 338 Ca 0.00 0.00 -0.05 0.00 -1.02 0.00 0.00 57.50 56.43 1pfr n TRP 338 Cb 0.27 -0.13 0.01 0.00 -2.42 0.00 0.00 31.31 29.04 1pfr n TRP 338 CO 0.00 0.00 0.00 1.28 -2.02 0.00 0.00 177.69 176.95 1pfr n LEU 339 N -1.59 0.00 0.00 -0.99 4.77 -1.00 -4.81 117.00 113.38 1pfr n LEU 339 Ca -0.00 -0.65 0.00 0.00 -0.03 0.00 0.00 56.01 55.33 1pfr n LEU 339 Cb 0.19 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 1pfr n LEU 339 CO 0.17 -0.45 0.00 0.55 -1.33 0.00 0.00 177.39 176.33