#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 3.85 -0.01 0.00 5.04 -1.26 -5.06 117.35 119.91 1pfr s TYR 2 Ca 0.00 1.84 0.03 0.00 -2.44 0.00 0.00 57.07 56.50 1pfr s TYR 2 Cb 0.00 -3.08 -0.00 0.00 0.35 0.00 0.00 41.96 39.23 1pfr s TYR 2 CO 0.00 0.13 -0.09 -0.08 -1.34 0.00 0.00 175.55 174.17 1pfr s THR 3 N -1.05 0.74 -1.56 4.34 -1.32 -1.26 -5.01 115.64 110.52 1pfr s THR 3 Ca 0.43 -0.38 0.23 0.00 -1.21 0.00 0.00 61.69 60.76 1pfr s THR 3 Cb -0.28 -0.64 0.46 0.00 -1.51 0.00 0.00 72.50 70.54 1pfr s THR 3 CO 0.34 0.22 1.75 0.35 -2.21 0.00 0.00 174.62 175.07 1pfr n THR 4 N 3.02 0.23 -2.78 5.08 -2.24 -1.26 -4.15 114.28 112.18 1pfr n THR 4 Ca -0.15 0.06 -0.04 0.00 -2.27 0.00 0.00 64.05 61.64 1pfr n THR 4 Cb 0.56 -0.68 0.01 0.00 -2.10 0.00 0.00 70.33 68.11 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 -1.59 0.19 4.78 5.36 -1.26 -4.89 117.98 118.12 1pfr s PHE 5 Ca 0.25 -0.56 -0.33 0.00 -0.96 0.00 0.00 56.93 55.32 1pfr s PHE 5 Cb 0.15 0.31 -0.14 0.00 -0.34 0.00 0.00 43.02 43.00 1pfr s PHE 5 CO 0.33 -1.27 1.40 -1.13 -1.46 0.00 0.00 175.22 173.08 1pfr n SER 6 N 2.99 2.43 -0.59 6.13 3.41 -1.26 -4.89 113.62 121.84 1pfr n SER 6 Ca 0.18 1.12 0.04 0.00 -0.26 0.00 0.00 58.87 59.95 1pfr n SER 6 Cb 0.56 -1.36 0.12 0.00 -0.26 0.00 0.00 64.21 63.27 1pfr n SER 6 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 1pfr n GLN 7 N 2.39 1.77 -3.95 4.33 0.00 -1.26 -4.80 117.38 115.86 1pfr n GLN 7 Ca 0.14 -0.94 -0.35 0.00 -0.00 0.00 0.00 57.00 55.85 1pfr n GLN 7 Cb 0.28 -1.34 -0.08 0.00 0.00 0.00 0.00 30.24 29.10 1pfr n GLN 7 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.06 178.05 1pfr s THR 8 N -1.65 5.04 -0.72 1.69 2.01 -1.26 -5.01 115.64 115.74 1pfr s THR 8 Ca 0.17 0.05 -0.26 0.00 0.31 0.00 0.00 61.69 61.96 1pfr s THR 8 Cb 0.10 -3.25 -0.00 0.00 0.01 0.00 0.00 72.50 69.36 1pfr s THR 8 CO 0.10 0.51 1.65 -0.75 -0.69 0.00 0.00 174.62 175.44 1pfr s LYS 9 N -0.09 2.88 0.18 4.92 2.20 -1.26 -4.98 119.74 123.58 1pfr s LYS 9 Ca 0.08 0.09 0.08 0.00 -0.36 0.00 0.00 55.97 55.85 1pfr s LYS 9 Cb -0.12 -4.48 -0.04 0.00 -1.51 0.00 0.00 37.83 31.68 1pfr s LYS 9 CO 0.01 -2.58 -0.03 0.54 -0.36 0.00 0.00 175.35 172.92 1pfr s ASN 10 N 6.44 4.61 -0.53 1.43 4.22 -1.26 -5.07 114.94 124.78 1pfr s ASN 10 Ca 0.55 -0.45 -0.23 0.00 -2.14 0.00 0.00 52.86 50.59 1pfr s ASN 10 Cb -0.09 -0.92 0.04 0.00 1.28 0.00 0.00 41.25 41.55 1pfr s ASN 10 CO 0.14 0.09 0.87 -0.62 -2.04 0.00 0.00 177.10 175.54 1pfr s ASP 11 N -2.91 6.33 0.60 3.54 -1.08 -1.26 -4.88 116.67 117.01 1pfr s ASP 11 Ca 0.27 -0.43 0.39 0.00 -0.52 0.00 0.00 52.55 52.26 1pfr s ASP 11 Cb -0.09 -2.41 1.93 0.00 -1.46 0.00 0.00 42.92 40.89 1pfr s ASP 11 CO 0.18 -1.14 2.18 1.56 0.52 0.00 0.00 175.17 178.46 1pfr h GLN 12 N 9.23 0.00 0.00 4.34 4.20 -1.97 -2.05 115.11 128.85 1pfr h GLN 12 Ca -0.26 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.45 1pfr h GLN 12 Cb 1.08 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.86 1pfr h GLN 12 CO 1.06 0.00 0.00 -0.07 -0.67 0.00 0.00 178.83 179.15 1pfr h LEU 13 N 0.00 0.00 -2.87 1.46 3.38 -1.95 -3.13 115.31 112.19 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 0.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.97 1pfr h LEU 13 CO 0.00 0.00 0.00 0.29 0.09 0.00 0.00 178.44 178.82 1pfr n LYS 14 N -2.71 2.86 -2.66 1.13 5.02 -0.77 -4.82 118.16 116.20 1pfr n LYS 14 Ca 0.02 -2.10 -0.30 0.00 -2.02 0.00 0.00 58.31 53.91 1pfr n LYS 14 Cb 0.34 -1.29 -0.02 0.00 -0.02 0.00 0.00 35.03 34.03 1pfr n LYS 14 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1pfr s GLU 15 N -1.00 3.76 0.79 1.97 0.41 -1.19 -5.07 118.70 118.37 1pfr s GLU 15 Ca 0.25 0.54 -0.12 0.00 -0.41 0.00 0.00 54.97 55.23 1pfr s GLU 15 Cb 0.13 -2.32 0.07 0.00 -1.78 0.00 0.00 34.13 30.23 1pfr s GLU 15 CO 0.17 -0.15 1.13 -1.25 -0.49 0.00 0.00 175.26 174.67 1pfr s PRO 16 N -4.12 2.14 0.21 0.39 0.04 -1.26 -4.92 135.00 127.48 1pfr s PRO 16 Ca 0.52 0.38 -0.10 0.00 0.04 0.00 0.00 61.00 61.85 1pfr s PRO 16 Cb -0.10 -1.95 0.22 0.00 0.04 0.00 0.00 34.50 32.71 1pfr s PRO 16 CO 0.35 -1.53 1.82 0.52 0.04 0.00 0.00 177.00 178.21 1pfr h MET 17 N -1.01 0.72 -5.76 4.56 2.86 -1.96 -3.38 114.93 110.96 1pfr h MET 17 Ca -0.47 -0.04 -0.50 0.00 -2.06 0.00 0.00 59.70 56.63 1pfr h MET 17 Cb 1.29 -0.16 -0.14 0.00 0.06 0.00 0.00 31.60 32.65 1pfr h MET 17 CO 0.63 0.47 -0.74 -0.06 1.06 0.00 0.00 176.91 178.27 1pfr s PHE 18 N -6.10 1.89 0.00 -0.22 0.08 -1.26 0.15 117.98 112.52 1pfr s PHE 18 Ca -0.13 -0.50 0.00 0.00 0.12 0.00 0.00 56.93 56.42 1pfr s PHE 18 Cb 0.16 -0.86 0.00 0.00 -0.57 0.00 0.00 43.02 41.75 1pfr s PHE 18 CO 0.76 0.47 0.00 1.19 -0.10 0.00 0.00 175.22 177.54 1pfr n PHE 19 N -0.46 0.00 -0.97 0.36 3.72 -0.58 -4.83 117.46 114.70 1pfr n PHE 19 Ca -0.07 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.33 1pfr n PHE 19 Cb 0.60 -1.62 0.00 0.00 -0.94 0.00 0.00 39.48 37.52 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 0.03 0.43 3.73 1.37 0.00 -1.26 -5.01 105.19 104.47 1pfr n GLY 20 Ca 0.00 -1.82 -0.42 0.00 0.00 0.00 0.00 46.02 43.78 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 1.07 4.32 0.65 1.61 0.74 -1.26 -4.82 119.66 121.97 1pfr s GLN 21 Ca 0.00 2.13 -0.17 0.00 0.05 0.00 0.00 55.36 57.37 1pfr s GLN 21 Cb 0.00 -3.20 -0.05 0.00 1.10 0.00 0.00 33.01 30.86 1pfr s GLN 21 CO 0.00 -0.40 0.73 -2.30 -0.55 0.00 0.00 175.29 172.77 1pfr n PRO 22 N 3.33 0.55 -2.17 1.67 -0.02 -1.26 -4.58 135.00 132.53 1pfr n PRO 22 Ca 0.09 0.23 -0.41 0.00 -2.02 0.00 0.00 63.50 61.39 1pfr n PRO 22 Cb 0.42 -1.96 -0.03 0.00 -0.02 0.00 0.00 33.50 31.91 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 -1.73 2.91 0.00 -1.45 1.01 -1.24 -4.63 120.40 115.27 1pfr s VAL 23 Ca 0.71 0.85 0.00 0.00 0.00 0.00 0.00 61.98 63.54 1pfr s VAL 23 Cb -0.39 -3.54 0.00 0.00 0.00 0.00 0.00 36.38 32.44 1pfr s VAL 23 CO 0.52 0.18 0.00 -0.46 0.00 0.00 0.00 175.10 175.34 1pfr n ASN 24 N 1.48 0.00 -4.69 3.32 0.23 -1.26 -4.50 115.26 109.84 1pfr n ASN 24 Ca 0.02 0.00 -0.42 0.00 -0.53 0.00 0.00 54.58 53.65 1pfr n ASN 24 Cb 0.42 -0.03 -0.03 0.00 -2.08 0.00 0.00 39.78 38.06 1pfr n ASN 24 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 1pfr s VAL 25 N -0.12 4.64 -0.56 3.53 1.01 -1.26 -4.96 120.40 122.68 1pfr s VAL 25 Ca 0.00 1.91 -0.21 0.00 0.00 0.00 0.00 61.98 63.68 1pfr s VAL 25 Cb 0.00 -4.23 0.06 0.00 0.00 0.00 0.00 36.38 32.21 1pfr s VAL 25 CO 0.00 0.05 0.79 0.00 0.00 0.00 0.00 175.10 175.94 1pfr s ALA 26 N 1.76 3.28 0.11 5.51 0.00 -1.26 -4.89 121.76 126.27 1pfr s ALA 26 Ca 0.51 -1.71 0.06 0.00 0.00 0.00 0.00 51.96 50.82 1pfr s ALA 26 Cb -0.21 -3.58 -0.04 0.00 0.00 0.00 0.00 23.12 19.29 1pfr s ALA 26 CO 0.22 -2.32 -0.15 -0.98 0.00 0.00 0.00 175.76 172.53 1pfr s ARG 27 N 3.27 1.01 -0.10 0.00 1.70 -1.26 -5.05 118.95 118.53 1pfr s ARG 27 Ca 0.20 -1.19 0.14 0.00 -0.47 0.00 0.00 55.73 54.41 1pfr s ARG 27 Cb -0.18 -0.97 0.31 0.00 -0.57 0.00 0.00 34.95 33.53 1pfr s ARG 27 CO 0.12 0.20 1.15 0.66 -1.08 0.00 0.00 175.30 176.35 1pfr n TYR 28 N 0.72 0.00 0.84 5.89 4.01 -1.26 -4.73 117.16 122.62 1pfr n TYR 28 Ca -0.17 -0.84 0.12 0.00 -0.16 0.00 0.00 57.90 56.85 1pfr n TYR 28 Cb 0.56 -0.16 0.21 0.00 -0.31 0.00 0.00 39.34 39.64 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 -0.61 0.56 -3.75 7.72 5.75 -1.26 -4.90 116.55 120.06 1pfr n ASP 29 Ca 0.11 -0.13 -0.10 0.00 -0.01 0.00 0.00 54.79 54.67 1pfr n ASP 29 Cb 0.79 0.26 -0.06 0.00 -1.03 0.00 0.00 41.12 41.08 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 -3.07 1.01 0.00 0.11 -2.07 -1.26 -5.18 119.66 109.20 1pfr s GLN 30 Ca 0.09 -0.85 -0.18 0.00 -1.82 0.00 0.00 55.36 52.60 1pfr s GLN 30 Cb 0.16 0.42 0.03 0.00 -1.09 0.00 0.00 33.01 32.53 1pfr s GLN 30 CO 0.71 -0.37 0.39 1.14 -1.32 0.00 0.00 175.29 175.84 1pfr s GLN 31 N -3.84 0.80 0.04 9.60 0.00 -1.26 -4.93 119.66 120.07 1pfr s GLN 31 Ca 0.05 -0.20 -0.16 0.00 -0.00 0.00 0.00 55.36 55.04 1pfr s GLN 31 Cb 0.03 0.36 -0.25 0.00 0.00 0.00 0.00 33.01 33.15 1pfr s GLN 31 CO -0.10 -0.25 1.12 -0.22 0.00 0.00 0.00 175.29 175.84 1pfr h LYS 32 N 3.45 0.57 -4.15 9.60 3.64 -1.88 -3.42 116.57 124.39 1pfr h LYS 32 Ca -0.30 -0.67 -0.60 0.00 -1.27 0.00 0.00 60.65 57.81 1pfr h LYS 32 Cb 1.18 0.20 -0.39 0.00 -0.41 0.00 0.00 32.23 32.81 1pfr h LYS 32 CO 0.41 1.27 -0.77 0.71 -2.27 0.00 0.00 179.45 178.80 1pfr s TYR 33 N -3.15 2.26 0.35 1.91 2.02 -1.26 -5.00 117.35 114.50 1pfr s TYR 33 Ca -0.11 -1.78 0.35 0.00 -0.37 0.00 0.00 57.07 55.16 1pfr s TYR 33 Cb 0.05 -1.69 1.71 0.00 -0.40 0.00 0.00 41.96 41.64 1pfr s TYR 33 CO 0.89 -0.79 2.12 0.38 -1.57 0.00 0.00 175.55 176.58 1pfr h ASP 34 N 7.97 0.00 -0.74 2.29 3.04 -1.99 -2.87 116.42 124.13 1pfr h ASP 34 Ca -0.15 0.00 0.11 0.00 -3.24 0.00 0.00 57.03 53.75 1pfr h ASP 34 Cb 1.06 0.00 -0.08 0.00 -1.04 0.00 0.00 39.33 39.27 1pfr h ASP 34 CO 0.43 0.04 0.35 -0.29 -2.04 0.00 0.00 179.24 177.72 1pfr h ILE 35 N 0.00 0.78 -0.02 4.15 6.09 -1.99 0.84 117.51 127.36 1pfr h ILE 35 Ca -0.00 -0.19 -0.04 0.00 -1.37 0.00 0.00 64.86 63.26 1pfr h ILE 35 Cb 0.32 0.17 -0.01 0.00 0.47 0.00 0.00 36.82 37.78 1pfr h ILE 35 CO 0.00 0.10 -0.18 -0.26 -3.07 0.00 0.00 178.15 174.75 1pfr h PHE 36 N 0.56 0.03 0.08 2.19 0.04 -1.87 -1.02 116.94 116.95 1pfr h PHE 36 Ca 0.38 -0.00 -0.28 0.00 2.80 0.00 0.00 57.97 60.87 1pfr h PHE 36 Cb 0.47 -0.01 0.02 0.00 2.20 0.00 0.00 35.95 38.63 1pfr h PHE 36 CO -0.12 0.21 -1.15 1.49 -0.60 0.00 0.00 178.31 178.13 1pfr h GLU 37 N 0.03 0.57 -0.68 1.51 4.57 -1.47 -2.69 114.58 116.42 1pfr h GLU 37 Ca 0.01 -0.72 -0.01 0.00 -1.18 0.00 0.00 59.36 57.46 1pfr h GLU 37 Cb 0.33 0.23 -0.03 0.00 -0.16 0.00 0.00 28.75 29.12 1pfr h GLU 37 CO 0.02 1.31 0.39 0.87 -1.18 0.00 0.00 179.01 180.42 1pfr h LYS 38 N 0.28 0.94 -0.47 1.92 6.56 -0.12 -2.07 116.57 123.61 1pfr h LYS 38 Ca -0.15 -0.10 -0.07 0.00 -1.06 0.00 0.00 60.65 59.27 1pfr h LYS 38 Cb 1.82 -0.19 -0.02 0.00 -0.57 0.00 0.00 32.23 33.27 1pfr h LYS 38 CO 0.22 0.69 -0.00 -0.07 -2.06 0.00 0.00 179.45 178.23 1pfr h LEU 39 N 0.94 0.74 -0.06 2.94 3.38 -1.21 -1.32 115.31 120.71 1pfr h LEU 39 Ca 0.24 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 1pfr h LEU 39 Cb 0.01 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.56 1pfr h LEU 39 CO -0.04 0.80 -0.01 0.40 0.09 0.00 0.00 178.44 179.69 1pfr h ILE 40 N 0.72 1.27 -0.74 1.22 2.04 -1.15 -0.46 117.51 120.41 1pfr h ILE 40 Ca 0.14 -0.85 0.03 0.00 1.00 0.00 0.00 64.86 65.19 1pfr h ILE 40 Cb 0.44 1.73 -0.05 0.00 -0.74 0.00 0.00 36.82 38.20 1pfr h ILE 40 CO 0.02 0.23 0.47 -0.33 0.00 0.00 0.00 178.15 178.54 1pfr h GLU 41 N -0.21 0.88 -0.53 2.37 5.08 -1.28 -1.36 114.58 119.54 1pfr h GLU 41 Ca 0.02 -0.05 -0.07 0.00 -1.00 0.00 0.00 59.36 58.25 1pfr h GLU 41 Cb 0.37 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 1pfr h GLU 41 CO 0.00 0.58 0.04 -0.22 -1.00 0.00 0.00 179.01 178.42 1pfr h LYS 42 N 0.91 0.90 -0.23 2.33 3.64 -1.08 -1.35 116.57 121.69 1pfr h LYS 42 Ca 0.30 -0.27 -0.07 0.00 -1.27 0.00 0.00 60.65 59.35 1pfr h LYS 42 Cb 0.03 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.74 1pfr h LYS 42 CO -0.12 0.90 -0.14 0.37 -2.27 0.00 0.00 179.45 178.19 1pfr h GLN 43 N 0.78 0.38 -0.01 1.90 5.75 -0.68 -1.92 115.11 121.31 1pfr h GLN 43 Ca 0.15 -0.10 -0.15 0.00 -0.15 0.00 0.00 58.65 58.41 1pfr h GLN 43 Cb 0.47 -0.04 -0.02 0.00 1.07 0.00 0.00 27.48 28.96 1pfr h GLN 43 CO 0.02 0.52 -0.68 -0.07 -2.65 0.00 0.00 178.83 175.98 1pfr h LEU 44 N 0.35 0.06 -0.88 -2.39 3.38 -1.03 -2.48 115.31 112.32 1pfr h LEU 44 Ca 0.07 -0.04 -0.10 0.00 0.09 0.00 0.00 57.88 57.90 1pfr h LEU 44 Cb 0.47 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 1pfr h LEU 44 CO 0.03 0.72 -0.48 0.77 0.09 0.00 0.00 178.44 179.56 1pfr h SER 45 N 0.03 0.00 -0.37 -0.43 4.64 -0.50 -3.06 113.55 113.86 1pfr h SER 45 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1pfr h SER 45 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 1pfr h SER 45 CO 0.09 0.48 0.00 0.49 -0.87 0.00 0.00 176.83 177.03 1pfr n PHE 46 N -3.69 0.67 -1.66 4.77 3.72 -0.85 -4.96 117.46 115.45 1pfr n PHE 46 Ca -0.01 -0.29 -0.45 0.00 -0.05 0.00 0.00 57.45 56.65 1pfr n PHE 46 Cb 0.55 -0.08 -0.03 0.00 -0.94 0.00 0.00 39.48 38.98 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 0.56 2.10 -3.94 1.38 7.35 -1.15 -4.98 117.46 118.78 1pfr n PHE 47 Ca 0.13 0.44 -0.08 0.00 -0.76 0.00 0.00 57.45 57.18 1pfr n PHE 47 Cb 0.43 -2.45 -0.08 0.00 0.35 0.00 0.00 39.48 37.73 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 -0.00 0.28 -0.04 -5.13 1.48 -1.26 -5.12 118.94 109.15 1pfr s TRP 48 Ca 0.69 -0.74 0.06 0.00 -1.06 0.00 0.00 56.10 55.06 1pfr s TRP 48 Cb -0.67 -0.18 -0.01 0.00 -1.16 0.00 0.00 33.47 31.45 1pfr s TRP 48 CO 0.49 -0.48 -0.24 1.03 -4.06 0.00 0.00 176.95 173.69 1pfr s ARG 49 N -3.79 2.30 0.17 3.25 1.81 -1.26 -5.01 118.95 116.41 1pfr s ARG 49 Ca 0.05 -0.87 -0.11 0.00 -1.72 0.00 0.00 55.73 53.09 1pfr s ARG 49 Cb 0.06 -2.03 0.06 0.00 -0.45 0.00 0.00 34.95 32.59 1pfr s ARG 49 CO -0.10 0.41 1.65 -1.35 -0.68 0.00 0.00 175.30 175.23 1pfr h PRO 50 N 5.91 0.99 -1.85 3.54 0.11 -1.95 -2.90 132.00 135.85 1pfr h PRO 50 Ca -0.35 -0.28 0.54 0.00 0.11 0.00 0.00 66.00 66.02 1pfr h PRO 50 Cb 1.16 -0.11 -0.08 0.00 0.11 0.00 0.00 31.00 32.08 1pfr h PRO 50 CO 0.47 0.95 1.33 0.93 -0.21 0.00 0.00 178.00 181.47 1pfr h GLU 51 N 0.89 0.00 -0.20 1.05 3.07 -1.95 0.84 114.58 118.27 1pfr h GLU 51 Ca 0.17 -0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.03 1pfr h GLU 51 Cb 0.46 -0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.37 1pfr h GLU 51 CO 0.02 0.00 0.00 0.39 -1.40 0.00 0.00 179.01 178.02 1pfr n GLU 52 N -4.01 1.68 -3.74 2.33 1.02 -1.10 -4.78 120.64 112.05 1pfr n GLU 52 Ca 0.42 -1.03 -0.37 0.00 -0.02 0.00 0.00 57.16 56.16 1pfr n GLU 52 Cb 1.90 -1.34 -0.12 0.00 -0.02 0.00 0.00 31.44 31.86 1pfr n GLU 52 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1pfr s VAL 53 N -1.74 4.21 0.03 2.62 1.01 0.29 -5.06 120.40 121.77 1pfr s VAL 53 Ca 0.28 -0.40 -0.30 0.00 0.00 0.00 0.00 61.98 61.56 1pfr s VAL 53 Cb 0.15 -3.07 -0.05 0.00 0.00 0.00 0.00 36.38 33.41 1pfr s VAL 53 CO 0.22 0.21 1.22 -0.62 0.00 0.00 0.00 175.10 176.13 1pfr s ASP 54 N 1.57 7.04 -0.07 3.32 2.15 -1.26 -4.88 116.67 124.55 1pfr s ASP 54 Ca 0.05 1.99 0.10 0.00 0.43 0.00 0.00 52.55 55.12 1pfr s ASP 54 Cb -0.16 -2.57 0.16 0.00 -0.30 0.00 0.00 42.92 40.04 1pfr s ASP 54 CO 0.03 -0.52 1.06 1.33 -0.17 0.00 0.00 175.17 176.90 1pfr n VAL 55 N 4.13 1.07 -0.11 1.11 0.24 -1.26 -4.50 118.33 119.01 1pfr n VAL 55 Ca 0.10 -1.28 -0.08 0.00 -2.04 0.00 0.00 64.34 61.04 1pfr n VAL 55 Cb 0.46 0.12 -0.00 0.00 -1.47 0.00 0.00 33.84 32.95 1pfr n VAL 55 CO 0.00 0.00 0.00 0.77 -2.14 0.00 0.00 176.83 175.46 1pfr h SER 56 N 0.00 0.40 -0.13 -1.34 4.64 -1.92 -2.47 113.55 112.73 1pfr h SER 56 Ca 0.00 -0.01 0.01 0.00 -0.47 0.00 0.00 61.79 61.32 1pfr h SER 56 Cb 1.12 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 63.11 1pfr h SER 56 CO 0.00 0.29 0.08 -0.09 -0.87 0.00 0.00 176.83 176.24 1pfr h ARG 57 N 0.48 0.12 -0.56 4.77 2.43 -1.97 -2.43 114.38 117.23 1pfr h ARG 57 Ca 0.14 -0.01 0.09 0.00 -0.81 0.00 0.00 59.98 59.39 1pfr h ARG 57 Cb -0.03 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.45 1pfr h ARG 57 CO -0.04 0.08 0.38 -0.44 -1.51 0.00 0.00 179.97 178.43 1pfr h ASP 58 N 0.13 0.36 -0.58 -3.80 5.19 -1.82 -0.40 116.42 115.50 1pfr h ASP 58 Ca 0.05 0.01 -0.02 0.00 -0.62 0.00 0.00 57.03 56.44 1pfr h ASP 58 Cb 0.04 -0.07 -0.03 0.00 0.18 0.00 0.00 39.33 39.46 1pfr h ASP 58 CO -0.01 0.22 0.28 -0.09 -3.12 0.00 0.00 179.24 176.53 1pfr h ARG 59 N 0.40 0.87 0.36 3.56 2.43 -1.52 0.39 114.38 120.87 1pfr h ARG 59 Ca 0.25 -0.12 -0.02 0.00 -0.81 0.00 0.00 59.98 59.29 1pfr h ARG 59 Cb 0.48 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.87 1pfr h ARG 59 CO -0.07 0.68 -0.17 0.82 -1.51 0.00 0.00 179.97 179.72 1pfr h ILE 60 N 0.87 0.57 -0.62 1.20 2.04 -1.24 -1.27 117.51 119.06 1pfr h ILE 60 Ca 0.21 -0.58 0.05 0.00 1.00 0.00 0.00 64.86 65.54 1pfr h ILE 60 Cb 0.11 0.83 -0.05 0.00 -0.74 0.00 0.00 36.82 36.97 1pfr h ILE 60 CO -0.03 0.10 0.35 0.44 0.00 0.00 0.00 178.15 179.01 1pfr h ASP 61 N -0.85 0.53 -0.00 1.72 5.19 -1.16 -1.61 116.42 120.24 1pfr h ASP 61 Ca -0.05 0.02 0.01 0.00 -0.62 0.00 0.00 57.03 56.39 1pfr h ASP 61 Cb 0.53 -0.09 -0.01 0.00 0.18 0.00 0.00 39.33 39.95 1pfr h ASP 61 CO 0.08 0.36 -0.04 0.22 -3.12 0.00 0.00 179.24 176.74 1pfr h TYR 62 N 0.66 -0.10 -0.88 4.55 3.20 -0.21 -2.49 116.97 121.71 1pfr h TYR 62 Ca 0.27 0.00 0.17 0.00 3.14 0.00 0.00 58.73 62.31 1pfr h TYR 62 Cb 0.12 0.04 -0.10 0.00 1.54 0.00 0.00 36.73 38.33 1pfr h TYR 62 CO -0.08 -0.06 0.45 0.37 -1.64 0.00 0.00 178.16 177.20 1pfr h GLN 63 N -0.07 0.56 0.00 1.82 4.15 -0.70 -0.30 115.11 120.58 1pfr h GLN 63 Ca 0.02 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.40 1pfr h GLN 63 Cb 0.09 -0.13 0.00 0.00 0.21 0.00 0.00 27.48 27.65 1pfr h GLN 63 CO -0.04 0.37 0.00 0.00 -1.93 0.00 0.00 178.83 177.23 1pfr n ALA 64 N -2.43 2.41 -1.82 3.38 0.00 -0.65 -4.89 120.51 116.50 1pfr n ALA 64 Ca 0.19 -0.15 -0.35 0.00 0.00 0.00 0.00 53.44 53.14 1pfr n ALA 64 Cb 0.51 -1.42 -0.07 0.00 0.00 0.00 0.00 19.45 18.47 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 -2.22 4.12 0.52 0.00 1.43 -0.12 -5.03 118.68 117.38 1pfr s LEU 65 Ca 0.34 1.74 -0.21 0.00 -1.03 0.00 0.00 54.13 54.97 1pfr s LEU 65 Cb 0.18 -4.29 -0.06 0.00 0.03 0.00 0.00 46.19 42.05 1pfr s LEU 65 CO 0.34 -0.23 1.17 -2.84 0.23 0.00 0.00 176.35 175.02 1pfr s PRO 66 N -2.68 3.42 0.30 1.29 0.01 -1.26 -4.76 135.00 131.32 1pfr s PRO 66 Ca 0.56 1.75 0.05 0.00 0.01 0.00 0.00 61.00 63.37 1pfr s PRO 66 Cb -0.13 -2.15 0.74 0.00 0.01 0.00 0.00 34.50 32.96 1pfr s PRO 66 CO 0.18 -0.82 1.74 0.93 0.01 0.00 0.00 177.00 179.03 1pfr h GLU 67 N 1.47 0.57 -0.72 5.54 4.39 -1.97 0.84 114.58 124.71 1pfr h GLU 67 Ca -0.50 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.16 1pfr h GLU 67 Cb 1.27 -0.13 -0.03 0.00 -0.10 0.00 0.00 28.75 29.75 1pfr h GLU 67 CO 0.58 0.38 0.42 1.12 -1.16 0.00 0.00 179.01 180.34 1pfr h HIS 68 N 0.59 0.95 0.00 4.33 2.07 -1.90 -1.68 115.15 119.51 1pfr h HIS 68 Ca 0.57 -0.00 -0.14 0.00 -2.85 0.00 0.00 60.37 57.95 1pfr h HIS 68 Cb 0.98 -0.31 -0.02 0.00 2.57 0.00 0.00 27.41 30.63 1pfr h HIS 68 CO -0.06 0.64 -0.66 0.93 -3.07 0.00 0.00 177.93 175.71 1pfr h GLU 69 N 0.99 0.00 -0.24 5.12 5.08 -1.13 -3.05 114.58 121.34 1pfr h GLU 69 Ca 0.26 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.49 1pfr h GLU 69 Cb -0.02 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 1pfr h GLU 69 CO -0.05 0.66 -0.38 0.87 -1.00 0.00 0.00 179.01 179.12 1pfr h LYS 70 N 0.00 0.54 -0.04 2.33 1.57 -0.51 -2.34 116.57 118.12 1pfr h LYS 70 Ca -0.01 -0.26 -0.12 0.00 -1.87 0.00 0.00 60.65 58.39 1pfr h LYS 70 Cb 1.44 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.73 1pfr h LYS 70 CO 0.09 0.83 -0.53 1.25 -0.57 0.00 0.00 179.45 180.51 1pfr h HIS 71 N 0.45 0.12 -0.28 -1.35 2.76 -1.33 0.59 115.15 116.10 1pfr h HIS 71 Ca 0.04 -0.04 -0.15 0.00 -2.20 0.00 0.00 60.37 58.02 1pfr h HIS 71 Cb 0.86 -0.02 -0.00 0.00 1.55 0.00 0.00 27.41 29.79 1pfr h HIS 71 CO 0.03 0.61 -0.42 0.82 -1.30 0.00 0.00 177.93 177.67 1pfr h ILE 72 N 0.08 1.29 0.15 6.26 2.04 -1.37 -1.27 117.51 124.70 1pfr h ILE 72 Ca -0.00 -1.61 -0.01 0.00 1.00 0.00 0.00 64.86 64.24 1pfr h ILE 72 Cb 0.97 1.64 0.00 0.00 -0.74 0.00 0.00 36.82 38.69 1pfr h ILE 72 CO 0.07 0.52 -0.07 0.15 0.00 0.00 0.00 178.15 178.82 1pfr h PHE 73 N 0.54 -0.19 -0.31 1.37 3.57 -1.09 -2.48 116.94 118.36 1pfr h PHE 73 Ca 0.03 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.54 1pfr h PHE 73 Cb 1.02 0.06 -0.02 0.00 2.79 0.00 0.00 35.95 39.80 1pfr h PHE 73 CO 0.08 0.19 0.17 0.97 -2.23 0.00 0.00 178.31 177.48 1pfr h ILE 74 N -0.60 1.01 -0.42 1.41 6.09 -0.94 -1.97 117.51 122.08 1pfr h ILE 74 Ca -0.02 -0.12 0.04 0.00 -1.37 0.00 0.00 64.86 63.39 1pfr h ILE 74 Cb 0.45 0.63 -0.04 0.00 0.47 0.00 0.00 36.82 38.34 1pfr h ILE 74 CO 0.03 0.06 0.19 0.28 -3.07 0.00 0.00 178.15 175.65 1pfr h SER 75 N 0.35 0.26 -0.67 2.19 0.02 -1.30 0.12 113.55 114.51 1pfr h SER 75 Ca 0.13 0.03 -0.02 0.00 -0.84 0.00 0.00 61.79 61.09 1pfr h SER 75 Cb 0.02 -0.01 -0.03 0.00 0.14 0.00 0.00 62.40 62.52 1pfr h SER 75 CO -0.08 0.19 0.35 0.78 -1.14 0.00 0.00 176.83 176.93 1pfr h ASN 76 N 0.39 0.88 0.01 3.07 2.35 -1.11 -0.74 115.58 120.42 1pfr h ASN 76 Ca 0.19 -0.09 -0.00 0.00 -0.55 0.00 0.00 56.30 55.85 1pfr h ASN 76 Cb 0.12 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 38.27 1pfr h ASN 76 CO -0.15 0.73 -0.00 0.25 -1.65 0.00 0.00 177.43 176.61 1pfr h LEU 77 N 0.98 -0.01 -0.79 1.61 5.85 -0.62 0.19 115.31 122.51 1pfr h LEU 77 Ca 0.24 -0.13 0.11 0.00 0.84 0.00 0.00 57.88 58.94 1pfr h LEU 77 Cb 0.08 0.00 -0.08 0.00 0.37 0.00 0.00 40.66 41.03 1pfr h LEU 77 CO -0.03 0.12 0.42 0.11 -0.34 0.00 0.00 178.44 178.72 1pfr h LYS 78 N -0.14 0.66 -0.30 1.25 1.57 -0.32 -0.34 116.57 118.95 1pfr h LYS 78 Ca -0.00 -0.04 -0.05 0.00 -1.87 0.00 0.00 60.65 58.69 1pfr h LYS 78 Cb 0.14 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 1pfr h LYS 78 CO 0.00 0.44 -0.02 -0.92 -0.57 0.00 0.00 179.45 178.38 1pfr h TYR 79 N 0.68 0.60 -0.67 -1.35 3.20 -0.25 -1.87 116.97 117.31 1pfr h TYR 79 Ca 0.40 -0.11 -0.03 0.00 3.14 0.00 0.00 58.73 62.13 1pfr h TYR 79 Cb 0.45 -0.15 -0.03 0.00 1.54 0.00 0.00 36.73 38.53 1pfr h TYR 79 CO -0.09 0.69 0.32 1.96 -1.64 0.00 0.00 178.16 179.40 1pfr h GLN 80 N 0.33 0.96 -0.08 1.82 4.20 -0.15 -1.60 115.11 120.59 1pfr h GLN 80 Ca 0.08 -0.13 0.01 0.00 0.06 0.00 0.00 58.65 58.68 1pfr h GLN 80 Cb 0.46 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 28.05 1pfr h GLN 80 CO 0.02 0.75 0.00 1.15 -0.67 0.00 0.00 178.83 180.08 1pfr h THR 81 N 0.95 0.95 -0.56 -0.54 2.02 -0.77 -1.18 112.91 113.78 1pfr h THR 81 Ca 0.23 -0.01 0.10 0.00 0.77 0.00 0.00 66.41 67.50 1pfr h THR 81 Cb 0.11 0.91 -0.08 0.00 -1.74 0.00 0.00 68.15 67.35 1pfr h THR 81 CO -0.03 0.01 0.10 0.25 0.37 0.00 0.00 175.52 176.22 1pfr h LEU 82 N 0.03 -0.03 0.03 2.58 5.85 -0.68 -0.91 115.31 122.19 1pfr h LEU 82 Ca 0.04 0.11 -0.00 0.00 0.84 0.00 0.00 57.88 58.86 1pfr h LEU 82 Cb 0.04 0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.22 1pfr h LEU 82 CO -0.06 0.01 -0.02 -0.07 -0.34 0.00 0.00 178.44 177.96 1pfr h LEU 83 N 0.23 -0.04 -1.73 2.25 3.38 -0.83 -2.05 115.31 116.54 1pfr h LEU 83 Ca 0.29 -0.22 -0.04 0.00 0.09 0.00 0.00 57.88 58.00 1pfr h LEU 83 Cb 0.41 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 1pfr h LEU 83 CO -0.38 0.19 -0.17 0.44 0.09 0.00 0.00 178.44 178.61 1pfr h ASP 84 N -0.27 0.00 -0.28 -0.43 3.32 -1.08 0.31 116.42 117.99 1pfr h ASP 84 Ca -0.00 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.00 1pfr h ASP 84 Cb 0.25 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.79 1pfr h ASP 84 CO 0.01 0.17 -0.01 0.28 -1.72 0.00 0.00 179.24 177.97 1pfr h SER 85 N 0.00 0.50 -0.26 6.45 0.02 -0.98 0.51 113.55 119.78 1pfr h SER 85 Ca -0.00 -0.32 -0.18 0.00 -0.84 0.00 0.00 61.79 60.46 1pfr h SER 85 Cb 0.40 -0.13 -0.00 0.00 0.14 0.00 0.00 62.40 62.80 1pfr h SER 85 CO 0.02 0.69 -0.51 0.40 -1.14 0.00 0.00 176.83 176.29 1pfr h ILE 86 N 0.29 1.28 0.00 3.27 2.04 -0.64 -3.02 117.51 120.73 1pfr h ILE 86 Ca 0.08 -1.70 0.00 0.00 1.00 0.00 0.00 64.86 64.24 1pfr h ILE 86 Cb 0.44 1.59 0.00 0.00 -0.74 0.00 0.00 36.82 38.11 1pfr h ILE 86 CO 0.02 0.55 0.00 1.56 0.00 0.00 0.00 178.15 180.28 1pfr h GLN 87 N 0.66 0.00 -0.04 2.37 1.08 -0.07 -1.95 115.11 117.15 1pfr h GLN 87 Ca 0.02 0.00 -0.18 0.00 -1.45 0.00 0.00 58.65 57.05 1pfr h GLN 87 Cb 1.11 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 28.55 1pfr h GLN 87 CO 0.11 0.00 -0.67 0.78 -0.95 0.00 0.00 178.83 178.11 1pfr h GLY 88 N 2.13 0.58 0.30 3.46 0.00 -0.76 -3.40 103.07 105.38 1pfr h GLY 88 Ca 0.00 -0.94 -0.35 0.00 0.00 0.00 0.00 47.33 46.04 1pfr h GLY 88 CO 0.00 0.83 -2.01 -0.96 0.00 0.00 0.00 176.54 174.41 1pfr n ARG 89 N -4.14 0.68 -0.23 4.80 1.85 -1.21 -4.67 116.66 113.74 1pfr n ARG 89 Ca -0.10 0.30 -0.03 0.00 -1.00 0.00 0.00 57.85 57.03 1pfr n ARG 89 Cb 0.70 -1.66 0.04 0.00 -1.05 0.00 0.00 32.46 30.49 1pfr n ARG 89 CO 0.00 0.00 0.00 0.77 -0.01 0.00 0.00 177.63 178.39 1pfr h SER 90 N -0.27 -0.98 -0.47 2.89 0.02 -1.56 -0.34 113.55 112.85 1pfr h SER 90 Ca -0.47 0.23 0.02 0.00 -0.84 0.00 0.00 61.79 60.73 1pfr h SER 90 Cb 1.82 0.53 -0.02 0.00 0.14 0.00 0.00 62.40 64.87 1pfr h SER 90 CO -0.06 -0.28 0.31 -0.65 -1.14 0.00 0.00 176.83 175.01 1pfr h PRO 91 N -0.09 0.55 -0.10 3.45 0.11 -1.82 0.40 132.00 134.50 1pfr h PRO 91 Ca 0.28 -0.03 -0.12 0.00 0.11 0.00 0.00 66.00 66.24 1pfr h PRO 91 Cb 0.54 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 31.53 1pfr h PRO 91 CO -0.72 0.37 -0.40 -0.91 -0.21 0.00 0.00 178.00 176.13 1pfr h ASN 92 N 0.57 0.53 0.18 -2.05 2.35 -1.43 -1.62 115.58 114.11 1pfr h ASN 92 Ca 0.18 -0.63 -0.23 0.00 -0.55 0.00 0.00 56.30 55.07 1pfr h ASN 92 Cb 0.03 -0.15 0.01 0.00 0.05 0.00 0.00 38.32 38.25 1pfr h ASN 92 CO -0.04 1.06 -0.92 0.58 -1.65 0.00 0.00 177.43 176.46 1pfr h VAL 93 N 0.02 1.35 0.15 2.81 2.07 -0.71 -3.19 116.25 118.75 1pfr h VAL 93 Ca -0.02 -2.30 -0.33 0.00 0.82 0.00 0.00 66.70 64.87 1pfr h VAL 93 Cb 1.04 2.32 -0.00 0.00 -1.52 0.00 0.00 31.29 33.12 1pfr h VAL 93 CO 0.08 0.70 -1.70 0.00 0.02 0.00 0.00 177.57 176.67 1pfr h ALA 94 N 0.66 0.23 0.05 1.67 0.00 -0.31 -3.42 119.26 118.14 1pfr h ALA 94 Ca -0.08 -1.19 -0.38 0.00 0.00 0.00 0.00 54.91 53.26 1pfr h ALA 94 Cb 1.55 0.54 -0.05 0.00 0.00 0.00 0.00 17.79 19.83 1pfr h ALA 94 CO 0.17 1.03 -2.27 1.28 0.00 0.00 0.00 179.25 179.45 1pfr n LEU 95 N -3.69 2.66 -0.32 0.00 4.77 -0.63 -4.49 117.00 115.30 1pfr n LEU 95 Ca -0.27 0.01 0.19 0.00 -0.03 0.00 0.00 56.01 55.91 1pfr n LEU 95 Cb 1.01 -0.89 0.39 0.00 -2.33 0.00 0.00 43.42 41.59 1pfr n LEU 95 CO 0.45 0.87 1.03 0.25 -1.33 0.00 0.00 177.39 178.67 1pfr h LEU 96 N 0.03 0.27 0.00 2.23 5.85 -1.49 0.70 115.31 122.90 1pfr h LEU 96 Ca -0.51 0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.40 1pfr h LEU 96 Cb 1.97 0.20 0.00 0.00 0.37 0.00 0.00 40.66 43.20 1pfr h LEU 96 CO -0.01 -0.15 0.00 -2.65 -0.34 0.00 0.00 178.44 175.29 1pfr n PRO 97 N -5.14 0.07 0.00 5.25 -0.02 -1.26 -2.87 135.00 131.04 1pfr n PRO 97 Ca 0.27 0.23 0.06 0.00 -2.02 0.00 0.00 63.50 62.03 1pfr n PRO 97 Cb 0.85 -1.50 -0.06 0.00 -0.02 0.00 0.00 33.50 32.77 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 -1.42 0.74 -4.75 2.45 4.77 0.24 -5.00 117.00 114.04 1pfr n LEU 98 Ca 0.05 -0.55 -0.41 0.00 -0.03 0.00 0.00 56.01 55.07 1pfr n LEU 98 Cb 0.14 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.19 1pfr n LEU 98 CO 0.12 0.17 0.76 -0.63 -1.33 0.00 0.00 177.39 176.48 1pfr s ILE 99 N -2.04 3.79 -0.38 -0.08 1.01 -1.01 -1.53 121.20 120.95 1pfr s ILE 99 Ca 0.06 1.67 0.04 0.00 0.00 0.00 0.00 60.65 62.42 1pfr s ILE 99 Cb 0.09 -4.07 0.10 0.00 0.01 0.00 0.00 42.46 38.60 1pfr s ILE 99 CO 0.46 0.35 1.01 -1.54 0.00 0.00 0.00 174.94 175.22 1pfr n SER 100 N 1.81 2.17 -4.07 3.58 3.41 0.12 -3.71 113.62 116.94 1pfr n SER 100 Ca 0.00 -1.85 -0.20 0.00 -0.26 0.00 0.00 58.87 56.57 1pfr n SER 100 Cb 0.46 -0.07 -0.14 0.00 -0.26 0.00 0.00 64.21 64.19 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 -0.88 0.87 0.17 -1.33 -4.36 -1.26 -4.66 121.20 109.76 1pfr s ILE 101 Ca 0.08 -0.57 -0.11 0.00 -0.26 0.00 0.00 60.65 59.79 1pfr s ILE 101 Cb 0.04 -0.75 0.07 0.00 1.25 0.00 0.00 42.46 43.08 1pfr s ILE 101 CO 0.06 0.17 1.68 1.55 0.24 0.00 0.00 174.94 178.64 1pfr h PRO 102 N 5.66 0.99 -0.78 0.37 0.13 -1.90 -2.21 132.00 134.25 1pfr h PRO 102 Ca -0.33 -0.25 0.05 0.00 -0.87 0.00 0.00 66.00 64.60 1pfr h PRO 102 Cb 1.18 -0.12 -0.05 0.00 0.13 0.00 0.00 31.00 32.13 1pfr h PRO 102 CO 0.48 0.91 0.51 1.05 -0.23 0.00 0.00 178.00 180.73 1pfr h GLU 103 N 0.90 0.86 0.08 0.86 9.09 -1.92 -1.23 114.58 123.22 1pfr h GLU 103 Ca 0.19 -0.05 -0.26 0.00 0.05 0.00 0.00 59.36 59.29 1pfr h GLU 103 Cb 0.38 -0.19 0.01 0.00 -1.65 0.00 0.00 28.75 27.29 1pfr h GLU 103 CO 0.01 0.57 -1.11 1.25 0.05 0.00 0.00 179.01 179.77 1pfr h LEU 104 N 0.89 0.50 0.19 3.06 5.85 -1.89 -1.61 115.31 122.29 1pfr h LEU 104 Ca 0.33 -0.47 -0.01 0.00 0.84 0.00 0.00 57.88 58.57 1pfr h LEU 104 Cb 0.16 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.04 1pfr h LEU 104 CO -0.11 1.32 -0.09 -0.08 -0.34 0.00 0.00 178.44 179.14 1pfr h GLU 105 N 0.15 -0.24 -0.52 1.25 4.81 -0.74 -1.59 114.58 117.70 1pfr h GLU 105 Ca -0.12 0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 59.07 1pfr h GLU 105 Cb 1.80 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 31.21 1pfr h GLU 105 CO 0.19 -0.10 0.09 1.15 -0.73 0.00 0.00 179.01 179.61 1pfr h THR 106 N -0.33 1.23 -0.20 0.32 2.02 -1.30 -2.77 112.91 111.88 1pfr h THR 106 Ca -0.03 -0.86 -0.00 0.00 0.77 0.00 0.00 66.41 66.29 1pfr h THR 106 Cb 0.25 0.73 -0.01 0.00 -1.74 0.00 0.00 68.15 67.39 1pfr h THR 106 CO 0.04 0.32 0.12 -0.25 0.37 0.00 0.00 175.52 176.12 1pfr h TRP 107 N 0.77 0.26 -0.94 3.16 -0.00 -1.12 -0.32 115.95 117.77 1pfr h TRP 107 Ca 0.17 0.00 0.07 0.00 -0.00 0.00 0.00 58.89 59.13 1pfr h TRP 107 Cb 0.34 -0.09 -0.07 0.00 -0.00 0.00 0.00 29.16 29.34 1pfr h TRP 107 CO 0.02 0.20 0.59 0.28 -0.00 0.00 0.00 178.44 179.53 1pfr h VAL 108 N 0.25 1.05 -0.17 2.65 2.07 -1.15 0.28 116.25 121.24 1pfr h VAL 108 Ca 0.07 -0.37 -0.16 0.00 0.82 0.00 0.00 66.70 67.07 1pfr h VAL 108 Cb 0.01 -0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 29.66 1pfr h VAL 108 CO -0.01 0.19 -0.55 -0.33 0.02 0.00 0.00 177.57 176.89 1pfr h GLU 109 N 1.07 0.51 -0.20 1.57 5.08 -1.17 -0.13 114.58 121.30 1pfr h GLU 109 Ca 0.41 -0.32 -0.18 0.00 -1.00 0.00 0.00 59.36 58.27 1pfr h GLU 109 Cb 0.20 0.04 0.01 0.00 0.50 0.00 0.00 28.75 29.49 1pfr h GLU 109 CO -0.18 0.93 -0.59 1.15 -1.00 0.00 0.00 179.01 179.31 1pfr h THR 110 N 0.39 1.30 -0.49 1.13 2.02 -0.24 -2.33 112.91 114.68 1pfr h THR 110 Ca 0.01 -1.81 -0.04 0.00 0.77 0.00 0.00 66.41 65.34 1pfr h THR 110 Cb 1.09 1.88 -0.02 0.00 -1.74 0.00 0.00 68.15 69.35 1pfr h THR 110 CO 0.10 0.57 0.15 -0.25 0.37 0.00 0.00 175.52 176.47 1pfr h TRP 111 N 0.48 0.79 -0.14 3.16 7.01 -0.36 -1.46 115.95 125.42 1pfr h TRP 111 Ca -0.02 -0.08 -0.11 0.00 2.11 0.00 0.00 58.89 60.80 1pfr h TRP 111 Cb 1.21 -0.23 -0.01 0.00 -2.10 0.00 0.00 29.16 28.03 1pfr h TRP 111 CO 0.09 0.69 -0.38 0.00 -2.79 0.00 0.00 178.44 176.04 1pfr h ALA 112 N 1.01 1.09 -0.30 2.65 0.00 -1.03 -2.94 119.26 119.74 1pfr h ALA 112 Ca 0.16 -0.40 -0.09 0.00 0.00 0.00 0.00 54.91 54.58 1pfr h ALA 112 Cb 0.27 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1pfr h ALA 112 CO -0.00 0.58 -0.15 0.35 0.00 0.00 0.00 179.25 180.03 1pfr h PHE 113 N 0.26 0.73 0.00 0.00 3.57 -1.18 -2.49 116.94 117.83 1pfr h PHE 113 Ca 0.03 -0.18 -0.01 0.00 3.53 0.00 0.00 57.97 61.34 1pfr h PHE 113 Cb 0.80 -0.17 -0.00 0.00 2.79 0.00 0.00 35.95 39.37 1pfr h PHE 113 CO 0.02 0.86 -0.02 0.66 -2.23 0.00 0.00 178.31 177.60 1pfr h SER 114 N 0.38 0.00 0.38 0.41 4.64 -1.21 -0.25 113.55 117.90 1pfr h SER 114 Ca 0.07 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.29 1pfr h SER 114 Cb 0.68 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.75 1pfr h SER 114 CO 0.05 0.02 -0.43 -0.33 -0.87 0.00 0.00 176.83 175.27 1pfr h GLU 115 N 0.00 0.07 0.00 4.77 4.39 -1.27 -2.12 114.58 120.42 1pfr h GLU 115 Ca -0.00 -0.03 -0.11 0.00 0.34 0.00 0.00 59.36 59.55 1pfr h GLU 115 Cb 0.05 -0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.69 1pfr h GLU 115 CO 0.00 0.50 -0.54 1.79 -1.16 0.00 0.00 179.01 179.60 1pfr h THR 116 N 0.06 1.29 -0.09 1.13 1.35 -0.87 -1.49 112.91 114.30 1pfr h THR 116 Ca 0.00 -1.90 -0.01 0.00 -0.55 0.00 0.00 66.41 63.96 1pfr h THR 116 Cb 0.79 2.05 -0.00 0.00 -1.73 0.00 0.00 68.15 69.26 1pfr h THR 116 CO 0.06 0.53 0.02 0.40 -0.25 0.00 0.00 175.52 176.28 1pfr h ILE 117 N 0.00 1.20 -0.67 6.82 1.08 -1.05 -1.68 117.51 123.20 1pfr h ILE 117 Ca -0.01 -0.61 0.12 0.00 -0.39 0.00 0.00 64.86 63.97 1pfr h ILE 117 Cb 1.01 1.44 -0.09 0.00 -3.07 0.00 0.00 36.82 36.11 1pfr h ILE 117 CO 0.07 0.17 0.23 0.45 -0.69 0.00 0.00 178.15 178.38 1pfr h HIS 118 N -0.07 0.39 -0.62 1.37 3.86 -0.76 -0.97 115.15 118.34 1pfr h HIS 118 Ca 0.03 0.03 0.04 0.00 -1.16 0.00 0.00 60.37 59.31 1pfr h HIS 118 Cb 0.26 -0.07 -0.04 0.00 1.06 0.00 0.00 27.41 28.61 1pfr h HIS 118 CO 0.01 0.04 0.36 0.77 0.86 0.00 0.00 177.93 179.97 1pfr h SER 119 N 0.38 0.57 -0.46 2.45 0.02 -1.00 -1.93 113.55 113.58 1pfr h SER 119 Ca 0.36 0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 61.29 1pfr h SER 119 Cb 0.52 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 62.93 1pfr h SER 119 CO -0.38 0.39 0.20 0.03 -1.14 0.00 0.00 176.83 175.93 1pfr h ARG 120 N 0.70 0.72 -0.53 3.45 3.08 -0.30 -1.85 114.38 119.66 1pfr h ARG 120 Ca 0.26 -0.10 -0.07 0.00 0.07 0.00 0.00 59.98 60.13 1pfr h ARG 120 Cb 0.08 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 29.97 1pfr h ARG 120 CO -0.13 0.60 0.03 0.66 -1.07 0.00 0.00 179.97 180.06 1pfr h SER 121 N 0.72 0.84 -0.85 7.04 4.64 -0.45 -2.00 113.55 123.48 1pfr h SER 121 Ca 0.17 -0.20 -0.02 0.00 -0.47 0.00 0.00 61.79 61.27 1pfr h SER 121 Cb 0.14 -0.22 -0.04 0.00 -0.31 0.00 0.00 62.40 61.97 1pfr h SER 121 CO -0.02 0.88 0.44 1.88 -0.87 0.00 0.00 176.83 179.15 1pfr h TYR 122 N 0.82 1.20 -0.49 4.77 0.05 -0.91 0.27 116.97 122.68 1pfr h TYR 122 Ca 0.16 -0.04 -0.00 0.00 0.05 0.00 0.00 58.73 58.90 1pfr h TYR 122 Cb 0.44 -0.38 -0.02 0.00 1.01 0.00 0.00 36.73 37.78 1pfr h TYR 122 CO 0.03 0.84 0.31 1.15 -1.05 0.00 0.00 178.16 179.43 1pfr h THR 123 N 1.21 1.14 0.26 -2.88 2.02 -1.29 0.13 112.91 113.49 1pfr h THR 123 Ca 0.30 -0.31 -0.01 0.00 0.77 0.00 0.00 66.41 67.16 1pfr h THR 123 Cb 0.06 0.47 0.00 0.00 -1.74 0.00 0.00 68.15 66.94 1pfr h THR 123 CO -0.04 0.14 -0.14 -0.74 0.37 0.00 0.00 175.52 175.11 1pfr h HIS 124 N 0.66 -0.36 -0.03 3.16 -0.00 -0.54 0.16 115.15 118.20 1pfr h HIS 124 Ca 0.18 -0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.54 1pfr h HIS 124 Cb -0.03 0.12 -0.00 0.00 -0.00 0.00 0.00 27.41 27.50 1pfr h HIS 124 CO -0.03 -0.22 0.02 0.82 -0.00 0.00 0.00 177.93 178.52 1pfr h ILE 125 N -0.37 1.03 -0.15 6.26 2.04 -0.80 -2.83 117.51 122.69 1pfr h ILE 125 Ca -0.03 -0.08 0.00 0.00 1.00 0.00 0.00 64.86 65.75 1pfr h ILE 125 Cb 0.29 1.03 -0.01 0.00 -0.74 0.00 0.00 36.82 37.39 1pfr h ILE 125 CO 0.05 0.02 0.10 0.40 0.00 0.00 0.00 178.15 178.72 1pfr h ILE 126 N 0.01 1.04 0.00 -0.67 2.04 -0.53 -1.62 117.51 117.78 1pfr h ILE 126 Ca 0.01 -0.07 0.00 0.00 1.00 0.00 0.00 64.86 65.80 1pfr h ILE 126 Cb 0.02 0.82 0.00 0.00 -0.74 0.00 0.00 36.82 36.92 1pfr h ILE 126 CO -0.00 0.04 0.00 -2.11 0.00 0.00 0.00 178.15 176.07 1pfr n ARG 127 N -4.98 0.15 0.00 2.37 1.85 0.52 -1.95 116.66 114.62 1pfr n ARG 127 Ca -0.04 0.15 0.11 0.00 -1.00 0.00 0.00 57.85 57.07 1pfr n ARG 127 Cb 0.03 -1.50 0.10 0.00 -1.05 0.00 0.00 32.46 30.03 1pfr n ARG 127 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 1pfr n ASN 128 N -1.38 1.27 -0.00 2.89 3.02 -0.65 -4.48 115.26 115.92 1pfr n ASN 128 Ca 0.07 -1.02 -0.00 0.00 -0.03 0.00 0.00 54.58 53.59 1pfr n ASN 128 Cb 0.17 0.50 -0.01 0.00 -0.61 0.00 0.00 39.78 39.84 1pfr n ASN 128 CO 0.00 0.00 0.00 2.30 -2.62 0.00 0.00 177.26 176.94 1pfr n ILE 129 N -0.80 0.03 -4.84 2.41 -5.35 -0.83 -4.30 119.36 105.68 1pfr n ILE 129 Ca 0.08 -0.03 -0.31 0.00 -0.27 0.00 0.00 62.75 62.22 1pfr n ILE 129 Cb 0.38 -0.28 -0.13 0.00 -1.74 0.00 0.00 39.64 37.86 1pfr n ILE 129 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 1pfr s VAL 130 N -2.04 2.76 -1.95 7.28 1.01 -0.82 -4.89 120.40 121.74 1pfr s VAL 130 Ca -0.00 -1.02 0.26 0.00 0.00 0.00 0.00 61.98 61.21 1pfr s VAL 130 Cb 0.00 -2.11 0.71 0.00 0.00 0.00 0.00 36.38 34.99 1pfr s VAL 130 CO 0.04 0.46 1.90 -0.46 0.00 0.00 0.00 175.10 177.03 1pfr n ASN 131 N 1.94 0.00 -3.19 3.32 6.94 -1.26 -4.47 115.26 118.54 1pfr n ASN 131 Ca -0.16 -0.75 0.02 0.00 -0.02 0.00 0.00 54.58 53.66 1pfr n ASN 131 Cb 0.52 -0.02 -0.01 0.00 -2.36 0.00 0.00 39.78 37.91 1pfr n ASN 131 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 1pfr s ASP 132 N -2.05 -1.53 0.62 0.53 2.15 -1.26 -5.04 116.67 110.09 1pfr s ASP 132 Ca 0.38 -0.56 0.28 0.00 0.43 0.00 0.00 52.55 53.08 1pfr s ASP 132 Cb 0.18 1.95 1.48 0.00 -0.30 0.00 0.00 42.92 46.23 1pfr s ASP 132 CO 0.31 -0.19 1.87 -0.65 -0.17 0.00 0.00 175.17 176.33 1pfr h PRO 133 N 7.19 0.00 0.00 4.34 0.11 -1.88 -2.56 132.00 139.20 1pfr h PRO 133 Ca 0.03 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.13 1pfr h PRO 133 Cb 1.18 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.29 1pfr h PRO 133 CO 0.11 0.00 -0.05 0.77 -0.21 0.00 0.00 178.00 178.62 1pfr h SER 134 N 0.00 0.00 -0.27 -2.05 0.02 -1.97 -0.78 113.55 108.50 1pfr h SER 134 Ca 0.12 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 60.98 1pfr h SER 134 Cb 1.01 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.53 1pfr h SER 134 CO -0.00 0.05 -0.13 -0.37 -1.14 0.00 0.00 176.83 175.23 1pfr h VAL 135 N 0.00 1.25 0.03 2.27 -1.51 -1.88 0.20 116.25 116.61 1pfr h VAL 135 Ca -0.00 -1.17 -0.00 0.00 -1.23 0.00 0.00 66.70 64.30 1pfr h VAL 135 Cb 0.18 1.10 0.00 0.00 -2.13 0.00 0.00 31.29 30.44 1pfr h VAL 135 CO 0.01 0.39 -0.01 0.58 -1.23 0.00 0.00 177.57 177.30 1pfr h VAL 136 N 0.63 0.91 -0.15 7.19 2.07 -1.50 -3.21 116.25 122.19 1pfr h VAL 136 Ca 0.11 -1.61 -0.03 0.00 0.82 0.00 0.00 66.70 66.00 1pfr h VAL 136 Cb 0.59 1.70 -0.01 0.00 -1.52 0.00 0.00 31.29 32.05 1pfr h VAL 136 CO 0.04 0.30 -0.02 -0.26 0.02 0.00 0.00 177.57 177.65 1pfr h PHE 137 N -0.98 0.22 0.00 1.57 0.04 -1.19 -2.53 116.94 114.06 1pfr h PHE 137 Ca -0.00 -0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.76 1pfr h PHE 137 Cb 0.52 -0.07 0.00 0.00 2.20 0.00 0.00 35.95 38.60 1pfr h PHE 137 CO 0.14 0.25 0.00 -0.44 -0.60 0.00 0.00 178.31 177.65 1pfr h ASP 138 N 0.21 0.00 -0.39 2.17 3.32 -0.75 -3.13 116.42 117.86 1pfr h ASP 138 Ca 0.05 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.10 1pfr h ASP 138 Cb 0.19 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.74 1pfr h ASP 138 CO 0.01 0.00 0.00 -0.67 -1.72 0.00 0.00 179.24 176.86 1pfr n ASP 139 N -2.99 2.84 -0.05 6.45 2.03 -0.95 -4.48 116.55 119.40 1pfr n ASP 139 Ca 0.04 -2.21 -0.01 0.00 0.52 0.00 0.00 54.79 53.13 1pfr n ASP 139 Cb 0.48 -0.41 -0.01 0.00 -0.72 0.00 0.00 41.12 40.47 1pfr n ASP 139 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 1pfr h ILE 140 N 2.40 0.06 -0.47 5.18 2.04 -1.60 -2.07 117.51 123.05 1pfr h ILE 140 Ca 0.00 -1.05 0.00 0.00 1.00 0.00 0.00 64.86 64.81 1pfr h ILE 140 Cb 0.87 0.12 -0.02 0.00 -0.74 0.00 0.00 36.82 37.05 1pfr h ILE 140 CO 0.11 0.02 0.30 0.58 0.00 0.00 0.00 178.15 179.16 1pfr h VAL 141 N -1.00 1.13 0.09 1.67 2.07 -1.81 -2.76 116.25 115.64 1pfr h VAL 141 Ca -0.00 -0.26 -0.30 0.00 0.82 0.00 0.00 66.70 66.97 1pfr h VAL 141 Cb 0.06 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 30.26 1pfr h VAL 141 CO -0.00 0.13 -1.50 0.71 0.02 0.00 0.00 177.57 176.92 1pfr h THR 142 N 0.65 1.17 -0.63 2.57 1.35 -1.78 -3.46 112.91 112.77 1pfr h THR 142 Ca 0.17 -2.84 -0.55 0.00 -0.55 0.00 0.00 66.41 62.65 1pfr h THR 142 Cb -0.05 2.73 -0.05 0.00 -1.73 0.00 0.00 68.15 69.05 1pfr h THR 142 CO -0.04 0.80 1.62 -3.20 -0.25 0.00 0.00 175.52 174.46 1pfr n ASN 143 N -3.40 1.21 0.07 5.36 2.85 -0.78 -4.74 115.26 115.83 1pfr n ASN 143 Ca -0.15 0.08 0.18 0.00 -0.11 0.00 0.00 54.58 54.58 1pfr n ASN 143 Cb 1.03 -1.16 0.70 0.00 1.24 0.00 0.00 39.78 41.59 1pfr n ASN 143 CO 0.00 0.00 0.00 -0.33 -2.11 0.00 0.00 177.26 174.82 1pfr h GLU 144 N 13.85 0.00 0.02 1.20 4.39 -1.88 -0.55 114.58 131.60 1pfr h GLU 144 Ca -0.15 0.00 -0.26 0.00 0.34 0.00 0.00 59.36 59.30 1pfr h GLU 144 Cb 1.31 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.93 1pfr h GLU 144 CO 1.23 0.00 -1.37 0.37 -1.16 0.00 0.00 179.01 178.08 1pfr h GLN 145 N 0.00 0.03 -0.03 2.33 5.75 -1.96 -1.41 115.11 119.82 1pfr h GLN 145 Ca 0.19 -0.06 -0.01 0.00 -0.15 0.00 0.00 58.65 58.62 1pfr h GLN 145 Cb 0.78 0.02 -0.00 0.00 1.07 0.00 0.00 27.48 29.35 1pfr h GLN 145 CO -0.00 0.80 -0.03 0.82 -2.65 0.00 0.00 178.83 177.77 1pfr h ILE 146 N 0.01 1.38 -0.39 2.39 5.03 -1.46 0.21 117.51 124.68 1pfr h ILE 146 Ca -0.16 -1.19 0.00 0.00 -0.12 0.00 0.00 64.86 63.39 1pfr h ILE 146 Cb 1.90 2.11 -0.02 0.00 -3.03 0.00 0.00 36.82 37.79 1pfr h ILE 146 CO 0.11 0.32 0.25 -0.61 -0.68 0.00 0.00 178.15 177.54 1pfr h GLN 147 N -0.39 0.52 0.43 2.37 5.75 -1.39 -0.93 115.11 121.48 1pfr h GLN 147 Ca 0.01 -0.03 -0.02 0.00 -0.15 0.00 0.00 58.65 58.45 1pfr h GLN 147 Cb 0.53 -0.12 0.00 0.00 1.07 0.00 0.00 27.48 28.97 1pfr h GLN 147 CO 0.01 0.35 -0.21 -0.22 -2.65 0.00 0.00 178.83 176.11 1pfr h LYS 148 N 0.53 -0.56 -0.22 1.69 3.64 -1.12 -2.19 116.57 118.35 1pfr h LYS 148 Ca 0.14 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.56 1pfr h LYS 148 Cb -0.05 0.13 0.00 0.00 -0.41 0.00 0.00 32.23 31.90 1pfr h LYS 148 CO -0.03 -0.37 0.00 2.89 -2.27 0.00 0.00 179.45 179.67 1pfr n ARG 149 N -4.68 0.68 -1.15 1.90 -4.01 0.72 -2.29 116.66 107.84 1pfr n ARG 149 Ca -0.07 0.00 0.01 0.00 -1.04 0.00 0.00 57.85 56.75 1pfr n ARG 149 Cb 0.23 -1.11 0.00 0.00 -3.04 0.00 0.00 32.46 28.54 1pfr n ARG 149 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 1pfr n ALA 150 N -0.29 2.43 -1.76 2.89 0.00 -0.36 -4.84 120.51 118.58 1pfr n ALA 150 Ca 0.00 -1.70 -0.40 0.00 0.00 0.00 0.00 53.44 51.34 1pfr n ALA 150 Cb 0.05 -0.59 -0.04 0.00 0.00 0.00 0.00 19.45 18.87 1pfr n ALA 150 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1pfr s GLU 151 N 0.00 4.56 0.00 0.00 -6.30 -0.82 -3.92 118.70 112.21 1pfr s GLU 151 Ca 0.20 1.88 0.00 0.00 -2.50 0.00 0.00 54.97 54.55 1pfr s GLU 151 Cb 0.23 -3.13 0.00 0.00 0.00 0.00 0.00 34.13 31.22 1pfr s GLU 151 CO -0.10 0.11 0.00 0.41 0.02 0.00 0.00 175.26 175.70 1pfr n GLY 152 N 1.08 2.85 0.21 -1.50 0.00 -1.26 -4.99 105.19 101.58 1pfr n GLY 152 Ca -0.01 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.94 1pfr n GLY 152 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1pfr h ILE 153 N 0.00 0.00 -0.40 -0.61 2.04 -1.99 -3.18 117.51 113.37 1pfr h ILE 153 Ca 0.00 -0.51 0.09 0.00 1.00 0.00 0.00 64.86 65.45 1pfr h ILE 153 Cb 0.00 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.06 1pfr h ILE 153 CO 0.00 0.00 0.28 0.77 0.00 0.00 0.00 178.15 179.20 1pfr h SER 154 N -0.98 0.10 -0.38 1.72 4.64 -1.94 -2.86 113.55 113.85 1pfr h SER 154 Ca -0.05 0.00 0.08 0.00 -0.47 0.00 0.00 61.79 61.35 1pfr h SER 154 Cb 0.36 -0.02 -0.09 0.00 -0.31 0.00 0.00 62.40 62.35 1pfr h SER 154 CO 0.08 0.06 -0.23 0.28 -0.87 0.00 0.00 176.83 176.15 1pfr h SER 155 N 0.11 -0.79 -0.69 4.97 0.02 -1.97 0.13 113.55 115.35 1pfr h SER 155 Ca 0.19 0.16 -0.07 0.00 -0.84 0.00 0.00 61.79 61.23 1pfr h SER 155 Cb 0.59 0.40 -0.03 0.00 0.14 0.00 0.00 62.40 63.50 1pfr h SER 155 CO -0.02 -0.26 0.16 1.88 -1.14 0.00 0.00 176.83 177.45 1pfr h TYR 156 N -0.17 1.16 0.03 3.45 -1.99 -1.49 -2.72 116.97 115.24 1pfr h TYR 156 Ca 0.19 -0.14 -0.00 0.00 2.00 0.00 0.00 58.73 60.78 1pfr h TYR 156 Cb 0.46 -0.33 0.00 0.00 2.00 0.00 0.00 36.73 38.86 1pfr h TYR 156 CO -0.46 0.95 -0.01 1.88 -0.00 0.00 0.00 178.16 180.52 1pfr h TYR 157 N 1.05 -0.03 -0.92 4.88 0.05 -1.45 -2.77 116.97 117.77 1pfr h TYR 157 Ca 0.22 -0.00 0.08 0.00 0.05 0.00 0.00 58.73 59.08 1pfr h TYR 157 Cb 0.37 0.01 -0.07 0.00 1.01 0.00 0.00 36.73 38.06 1pfr h TYR 157 CO 0.03 0.23 0.57 -0.44 -1.05 0.00 0.00 178.16 177.49 1pfr h ASP 158 N -0.29 0.88 0.09 3.88 3.32 -0.72 -0.64 116.42 122.94 1pfr h ASP 158 Ca -0.00 0.03 -0.22 0.00 0.02 0.00 0.00 57.03 56.86 1pfr h ASP 158 Cb 0.28 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.68 1pfr h ASP 158 CO 0.01 0.53 -0.82 -0.33 -1.72 0.00 0.00 179.24 176.91 1pfr h GLU 159 N 1.00 0.58 -0.22 3.56 5.08 -1.54 -2.41 114.58 120.63 1pfr h GLU 159 Ca 0.42 -0.52 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 1pfr h GLU 159 Cb 0.26 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 1pfr h GLU 159 CO -0.20 1.14 0.14 1.25 -1.00 0.00 0.00 179.01 180.34 1pfr h LEU 160 N 0.38 0.26 -0.47 1.33 5.85 -1.09 0.52 115.31 122.09 1pfr h LEU 160 Ca -0.06 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.63 1pfr h LEU 160 Cb 1.43 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 42.38 1pfr h LEU 160 CO 0.15 0.21 0.30 0.40 -0.34 0.00 0.00 178.44 179.17 1pfr h ILE 161 N 0.29 1.13 0.04 4.05 2.04 -1.14 0.22 117.51 124.14 1pfr h ILE 161 Ca 0.08 -0.27 -0.00 0.00 1.00 0.00 0.00 64.86 65.67 1pfr h ILE 161 Cb -0.01 0.47 0.00 0.00 -0.74 0.00 0.00 36.82 36.54 1pfr h ILE 161 CO -0.02 0.13 -0.02 -0.08 0.00 0.00 0.00 178.15 178.16 1pfr h GLU 162 N 0.63 -0.05 -0.69 2.37 4.81 -1.25 -0.97 114.58 119.43 1pfr h GLU 162 Ca 0.17 0.00 0.06 0.00 -0.13 0.00 0.00 59.36 59.46 1pfr h GLU 162 Cb -0.04 0.01 -0.05 0.00 0.63 0.00 0.00 28.75 29.29 1pfr h GLU 162 CO -0.03 0.04 0.40 0.52 -0.73 0.00 0.00 179.01 179.20 1pfr h MET 163 N -0.14 0.71 -0.77 1.92 2.86 -0.49 -1.37 114.93 117.65 1pfr h MET 163 Ca -0.01 -0.04 0.04 0.00 -2.06 0.00 0.00 59.70 57.63 1pfr h MET 163 Cb 0.12 -0.16 -0.05 0.00 0.06 0.00 0.00 31.60 31.57 1pfr h MET 163 CO 0.01 0.47 0.48 1.15 1.06 0.00 0.00 176.91 180.08 1pfr h THR 164 N 0.73 1.08 0.15 2.22 2.02 -0.26 -1.61 112.91 117.24 1pfr h THR 164 Ca 0.31 -0.32 -0.01 0.00 0.77 0.00 0.00 66.41 67.16 1pfr h THR 164 Cb 0.17 0.08 0.00 0.00 -1.74 0.00 0.00 68.15 66.66 1pfr h THR 164 CO -0.18 0.17 -0.07 0.28 0.37 0.00 0.00 175.52 176.09 1pfr h SER 165 N 0.92 -0.17 -0.82 4.18 0.02 -0.14 0.26 113.55 117.80 1pfr h SER 165 Ca 0.32 -0.04 0.13 0.00 -0.84 0.00 0.00 61.79 61.36 1pfr h SER 165 Cb 0.07 0.04 -0.09 0.00 0.14 0.00 0.00 62.40 62.57 1pfr h SER 165 CO -0.13 -0.07 0.42 1.88 -1.14 0.00 0.00 176.83 177.78 1pfr h TYR 166 N -0.25 0.74 -0.25 3.45 0.05 -1.02 0.11 116.97 119.80 1pfr h TYR 166 Ca -0.02 0.03 -0.16 0.00 0.05 0.00 0.00 58.73 58.63 1pfr h TYR 166 Cb 0.20 -0.21 -0.01 0.00 1.01 0.00 0.00 36.73 37.73 1pfr h TYR 166 CO -0.05 0.21 -0.50 2.35 -1.05 0.00 0.00 178.16 179.11 1pfr h TRP 167 N 0.63 0.86 -0.19 4.88 7.01 -0.92 0.16 115.95 128.38 1pfr h TRP 167 Ca 0.43 -0.29 -0.13 0.00 2.11 0.00 0.00 58.89 61.02 1pfr h TRP 167 Cb 0.56 -0.17 -0.01 0.00 -2.10 0.00 0.00 29.16 27.44 1pfr h TRP 167 CO -0.10 1.05 -0.42 0.45 -2.79 0.00 0.00 178.44 176.64 1pfr h HIS 168 N 0.55 0.52 0.00 2.65 3.86 0.18 -2.47 115.15 120.44 1pfr h HIS 168 Ca 0.02 -0.15 -0.10 0.00 -1.16 0.00 0.00 60.37 58.99 1pfr h HIS 168 Cb 1.06 -0.11 -0.01 0.00 1.06 0.00 0.00 27.41 29.41 1pfr h HIS 168 CO 0.05 0.79 -0.52 -0.07 0.86 0.00 0.00 177.93 179.04 1pfr h LEU 169 N 0.36 0.01 0.05 2.43 3.38 -0.62 -3.15 115.31 117.76 1pfr h LEU 169 Ca 0.03 -0.80 -0.32 0.00 0.09 0.00 0.00 57.88 56.87 1pfr h LEU 169 Cb 0.89 -0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.60 1pfr h LEU 169 CO 0.08 1.20 -1.86 0.18 0.09 0.00 0.00 178.44 178.13 1pfr n LEU 170 N -4.53 1.57 0.00 1.67 4.77 0.53 -4.96 117.00 116.04 1pfr n LEU 170 Ca -0.19 0.31 0.00 0.00 -0.03 0.00 0.00 56.01 56.10 1pfr n LEU 170 Cb 0.57 -0.34 0.00 0.00 -2.33 0.00 0.00 43.42 41.32 1pfr n LEU 170 CO 0.28 0.58 0.00 0.61 -1.33 0.00 0.00 177.39 177.53 1pfr n GLY 171 N 1.74 -1.36 3.75 -0.72 0.00 -0.93 -4.91 105.19 102.77 1pfr n GLY 171 Ca -0.24 -1.59 -0.37 0.00 0.00 0.00 0.00 46.02 43.83 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 -1.76 2.96 0.00 1.61 2.02 -1.26 -4.68 118.70 117.59 1pfr s GLU 172 Ca 0.00 1.96 0.00 0.00 0.02 0.00 0.00 54.97 56.95 1pfr s GLU 172 Cb 0.00 -2.01 0.00 0.00 0.10 0.00 0.00 34.13 32.22 1pfr s GLU 172 CO 0.00 -1.25 0.00 0.41 0.02 0.00 0.00 175.26 174.44 1pfr n GLY 173 N 0.64 0.85 3.42 -1.39 0.00 -0.03 -4.92 105.19 103.77 1pfr n GLY 173 Ca 0.13 -2.02 -0.33 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 -1.37 3.27 0.36 2.61 2.01 -1.26 0.65 115.64 121.91 1pfr s THR 174 Ca 0.00 -0.59 0.03 0.00 0.31 0.00 0.00 61.69 61.44 1pfr s THR 174 Cb 0.00 -2.38 -0.04 0.00 0.01 0.00 0.00 72.50 70.09 1pfr s THR 174 CO 0.00 0.53 0.10 -1.00 -0.69 0.00 0.00 174.62 173.56 1pfr s HIS 175 N 0.19 1.82 -0.20 4.92 3.76 0.16 -4.94 115.29 121.00 1pfr s HIS 175 Ca -0.06 -1.15 0.01 0.00 -0.15 0.00 0.00 55.06 53.70 1pfr s HIS 175 Cb -0.15 -1.18 0.03 0.00 1.11 0.00 0.00 32.58 32.39 1pfr s HIS 175 CO 0.04 -0.19 -0.17 0.99 -0.85 0.00 0.00 174.74 174.57 1pfr s THR 176 N -3.30 2.18 -0.17 1.30 2.01 -1.26 -1.11 115.64 115.30 1pfr s THR 176 Ca 0.30 -1.04 0.01 0.00 0.31 0.00 0.00 61.69 61.26 1pfr s THR 176 Cb 0.05 -1.99 0.03 0.00 0.01 0.00 0.00 72.50 70.60 1pfr s THR 176 CO 0.15 0.42 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.66 1pfr s VAL 177 N 1.27 1.69 -1.56 3.82 1.01 0.15 -4.72 120.40 122.06 1pfr s VAL 177 Ca 0.02 -0.80 -0.12 0.00 0.00 0.00 0.00 61.98 61.08 1pfr s VAL 177 Cb -0.14 -1.62 0.09 0.00 0.00 0.00 0.00 36.38 34.70 1pfr s VAL 177 CO -0.11 0.39 0.79 0.59 0.00 0.00 0.00 175.10 176.77 1pfr n ASN 178 N 4.72 -3.19 0.00 3.32 3.02 -1.26 -0.47 115.26 121.40 1pfr n ASN 178 Ca -0.17 -0.91 0.00 0.00 -0.03 0.00 0.00 54.58 53.47 1pfr n ASN 178 Cb 0.49 -3.35 0.00 0.00 -0.61 0.00 0.00 39.78 36.31 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 -1.63 2.71 3.87 7.41 0.00 -1.26 -5.00 105.19 111.30 1pfr n GLY 179 Ca -0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.00 3.72 -0.04 1.61 -0.14 0.38 -5.05 119.74 120.22 1pfr s LYS 180 Ca 0.00 0.11 -0.24 0.00 -1.36 0.00 0.00 55.97 54.48 1pfr s LYS 180 Cb 0.00 -2.98 -0.04 0.00 -1.68 0.00 0.00 37.83 33.13 1pfr s LYS 180 CO 0.00 0.55 0.73 0.99 -0.76 0.00 0.00 175.35 176.86 1pfr s THR 181 N -1.43 4.96 -0.04 2.17 2.01 -1.26 0.31 115.64 122.36 1pfr s THR 181 Ca 0.34 1.52 0.02 0.00 0.31 0.00 0.00 61.69 63.88 1pfr s THR 181 Cb -0.14 -4.07 0.01 0.00 0.01 0.00 0.00 72.50 68.31 1pfr s THR 181 CO 0.19 0.27 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.61 1pfr s VAL 182 N 0.60 0.86 -0.11 3.82 1.01 -0.27 -4.93 120.40 121.37 1pfr s VAL 182 Ca 0.39 -0.35 -0.00 0.00 0.00 0.00 0.00 61.98 62.01 1pfr s VAL 182 Cb -0.19 -0.79 -0.02 0.00 0.00 0.00 0.00 36.38 35.38 1pfr s VAL 182 CO 0.20 0.28 -0.10 -0.89 0.00 0.00 0.00 175.10 174.59 1pfr s THR 183 N 0.49 3.35 -0.20 3.92 2.01 -1.26 0.38 115.64 124.32 1pfr s THR 183 Ca -0.09 -0.58 0.00 0.00 0.31 0.00 0.00 61.69 61.34 1pfr s THR 183 Cb -0.12 -2.40 0.02 0.00 0.01 0.00 0.00 72.50 70.01 1pfr s THR 183 CO 0.01 0.54 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.64 1pfr s VAL 184 N -0.01 2.32 -0.07 3.82 1.01 0.21 -4.98 120.40 122.70 1pfr s VAL 184 Ca -0.02 -0.98 0.02 0.00 0.00 0.00 0.00 61.98 61.00 1pfr s VAL 184 Cb -0.14 -2.05 0.02 0.00 0.00 0.00 0.00 36.38 34.20 1pfr s VAL 184 CO 0.04 0.42 -0.10 -0.55 0.00 0.00 0.00 175.10 174.91 1pfr s SER 185 N 1.29 1.64 0.24 3.32 0.15 -1.26 -0.85 113.70 118.24 1pfr s SER 185 Ca 0.03 -0.26 -0.06 0.00 0.70 0.00 0.00 55.95 56.36 1pfr s SER 185 Cb -0.14 -0.74 0.25 0.00 -1.71 0.00 0.00 66.02 63.68 1pfr s SER 185 CO -0.10 -0.01 1.84 0.25 1.20 0.00 0.00 173.24 176.42 1pfr h LEU 186 N 7.21 1.05 -0.36 3.45 5.85 -1.98 -1.54 115.31 128.98 1pfr h LEU 186 Ca -0.32 -0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.27 1pfr h LEU 186 Cb 1.17 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.91 1pfr h LEU 186 CO 0.46 0.89 0.23 -0.09 -0.34 0.00 0.00 178.44 179.58 1pfr h ARG 187 N 1.14 0.48 -0.72 1.25 2.43 -1.99 0.86 114.38 117.83 1pfr h ARG 187 Ca 0.28 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.40 1pfr h ARG 187 Cb 0.12 -0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 29.53 1pfr h ARG 187 CO -0.03 0.34 0.42 1.49 -1.51 0.00 0.00 179.97 180.68 1pfr h GLU 188 N 0.47 0.99 -0.59 0.20 4.57 -1.86 -1.40 114.58 116.96 1pfr h GLU 188 Ca 0.13 -0.09 -0.07 0.00 -1.18 0.00 0.00 59.36 58.15 1pfr h GLU 188 Cb -0.02 -0.21 -0.02 0.00 -0.16 0.00 0.00 28.75 28.34 1pfr h GLU 188 CO -0.03 0.70 0.08 1.25 -1.18 0.00 0.00 179.01 179.83 1pfr h LEU 189 N 1.00 0.91 -0.91 1.64 5.85 -0.73 -1.02 115.31 122.05 1pfr h LEU 189 Ca 0.26 -0.21 -0.08 0.00 0.84 0.00 0.00 57.88 58.69 1pfr h LEU 189 Cb -0.02 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 40.75 1pfr h LEU 189 CO -0.05 0.93 -0.09 0.11 -0.34 0.00 0.00 178.44 179.01 1pfr h LYS 190 N 0.90 0.71 -0.36 1.25 1.57 -0.07 0.14 116.57 120.70 1pfr h LYS 190 Ca 0.18 -0.22 -0.09 0.00 -1.87 0.00 0.00 60.65 58.66 1pfr h LYS 190 Cb 0.42 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.65 1pfr h LYS 190 CO 0.01 0.78 -0.11 0.87 -0.57 0.00 0.00 179.45 180.43 1pfr h LYS 191 N 0.65 0.72 -0.79 3.15 1.57 -0.62 0.65 116.57 121.90 1pfr h LYS 191 Ca 0.12 -0.29 -0.00 0.00 -1.87 0.00 0.00 60.65 58.61 1pfr h LYS 191 Cb 0.53 -0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.76 1pfr h LYS 191 CO 0.03 0.88 0.49 -0.22 -0.57 0.00 0.00 179.45 180.07 1pfr h LYS 192 N 0.51 1.07 -0.07 3.15 1.63 -0.71 -1.33 116.57 120.83 1pfr h LYS 192 Ca 0.09 -0.09 -0.01 0.00 -0.85 0.00 0.00 60.65 59.80 1pfr h LYS 192 Cb 0.63 -0.23 -0.00 0.00 -0.60 0.00 0.00 32.23 32.03 1pfr h LYS 192 CO 0.04 0.74 0.02 1.25 -3.45 0.00 0.00 179.45 178.05 1pfr h LEU 193 N 1.08 0.10 -0.44 5.20 5.85 -0.29 -1.54 115.31 125.28 1pfr h LEU 193 Ca 0.29 -0.21 0.08 0.00 0.84 0.00 0.00 57.88 58.88 1pfr h LEU 193 Cb -0.07 -0.03 -0.07 0.00 0.37 0.00 0.00 40.66 40.87 1pfr h LEU 193 CO -0.06 0.28 0.02 0.22 -0.34 0.00 0.00 178.44 178.57 1pfr h TYR 194 N -0.09 0.01 0.00 1.25 3.20 -0.56 0.85 116.97 121.64 1pfr h TYR 194 Ca 0.02 0.03 -0.09 0.00 3.14 0.00 0.00 58.73 61.83 1pfr h TYR 194 Cb 0.22 0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.54 1pfr h TYR 194 CO -0.00 -0.07 -0.42 -0.07 -1.64 0.00 0.00 178.16 175.95 1pfr h LEU 195 N 0.13 0.00 -0.03 2.82 4.07 -1.21 -1.13 115.31 119.96 1pfr h LEU 195 Ca 0.22 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 58.17 1pfr h LEU 195 Cb 0.31 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.05 1pfr h LEU 195 CO -0.34 0.42 0.00 0.00 -1.08 0.00 0.00 178.44 177.44 1pfr h LEU 197 N -0.21 0.89 -0.55 0.00 5.85 -0.64 0.14 115.31 120.78 1pfr h LEU 197 Ca 0.01 0.01 -0.16 0.00 0.84 0.00 0.00 57.88 58.58 1pfr h LEU 197 Cb 0.29 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.13 1pfr h LEU 197 CO 0.00 0.58 -0.68 -0.03 -0.34 0.00 0.00 178.44 177.97 1pfr h MET 198 N 1.02 0.22 -0.15 1.25 4.05 -1.04 -1.97 114.93 118.31 1pfr h MET 198 Ca 0.38 -0.17 -0.17 0.00 -0.28 0.00 0.00 59.70 59.46 1pfr h MET 198 Cb 0.19 0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 31.02 1pfr h MET 198 CO -0.14 0.82 -0.60 0.77 0.23 0.00 0.00 176.91 177.98 1pfr h SER 199 N 0.15 0.56 -0.52 1.39 0.02 0.71 -1.67 113.55 114.18 1pfr h SER 199 Ca -0.02 -0.32 -0.07 0.00 -0.84 0.00 0.00 61.79 60.55 1pfr h SER 199 Cb 1.22 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 63.57 1pfr h SER 199 CO 0.10 1.03 0.08 0.58 -1.14 0.00 0.00 176.83 177.49 1pfr h VAL 200 N 0.37 1.25 -0.67 2.27 2.07 -0.67 -1.11 116.25 119.75 1pfr h VAL 200 Ca -0.00 -0.96 0.01 0.00 0.82 0.00 0.00 66.70 66.57 1pfr h VAL 200 Cb 1.15 0.72 -0.03 0.00 -1.52 0.00 0.00 31.29 31.61 1pfr h VAL 200 CO 0.11 0.35 0.44 -1.13 0.02 0.00 0.00 177.57 177.36 1pfr h ASN 201 N 0.86 0.76 -0.28 0.57 -1.24 -1.12 0.22 115.58 115.35 1pfr h ASN 201 Ca 0.18 -0.02 -0.03 0.00 0.71 0.00 0.00 56.30 57.14 1pfr h ASN 201 Cb 0.39 -0.18 -0.01 0.00 0.73 0.00 0.00 38.32 39.25 1pfr h ASN 201 CO 0.01 0.54 0.07 0.00 -1.29 0.00 0.00 177.43 176.76 1pfr h ALA 202 N 1.25 0.37 -0.07 1.57 0.00 -0.81 0.23 119.26 121.81 1pfr h ALA 202 Ca 0.25 -0.17 0.04 0.00 0.00 0.00 0.00 54.91 55.03 1pfr h ALA 202 Cb -0.08 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.55 1pfr h ALA 202 CO -0.06 0.03 -0.28 1.25 0.00 0.00 0.00 179.25 180.18 1pfr h LEU 203 N 0.28 -0.85 -1.16 0.00 5.85 -0.65 -0.73 115.31 118.06 1pfr h LEU 203 Ca 0.09 0.12 -0.06 0.00 0.84 0.00 0.00 57.88 58.87 1pfr h LEU 203 Cb 0.29 0.36 -0.02 0.00 0.37 0.00 0.00 40.66 41.66 1pfr h LEU 203 CO 0.00 -0.34 -0.01 -0.33 -0.34 0.00 0.00 178.44 177.43 1pfr h GLU 204 N -0.39 0.57 0.06 1.25 4.39 -0.36 -2.40 114.58 117.72 1pfr h GLU 204 Ca 0.08 -0.13 -0.25 0.00 0.34 0.00 0.00 59.36 59.40 1pfr h GLU 204 Cb 0.51 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.08 1pfr h GLU 204 CO -0.29 0.61 -1.08 0.00 -1.16 0.00 0.00 179.01 177.09 1pfr h ALA 205 N 1.45 0.24 0.00 3.43 0.00 -0.02 -3.45 119.26 120.91 1pfr h ALA 205 Ca 0.11 -0.79 0.00 0.00 0.00 0.00 0.00 54.91 54.24 1pfr h ALA 205 Cb 0.37 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1pfr h ALA 205 CO 0.01 0.88 -0.72 -0.89 0.00 0.00 0.00 179.25 178.54 1pfr n ILE 206 N -3.65 0.00 0.04 0.00 -0.00 -0.32 -4.85 119.36 110.57 1pfr n ILE 206 Ca -0.08 0.00 0.22 0.00 -0.00 0.00 0.00 62.75 62.89 1pfr n ILE 206 Cb 0.92 -0.39 0.73 0.00 -0.00 0.00 0.00 39.64 40.90 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 0.00 0.00 0.38 3.08 -1.47 -2.34 114.38 114.03 1pfr h ARG 207 Ca 0.00 0.00 -0.15 0.00 0.07 0.00 0.00 59.98 59.90 1pfr h ARG 207 Cb 0.72 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.74 1pfr h ARG 207 CO 0.00 0.00 -1.26 0.74 -1.07 0.00 0.00 179.97 178.38 1pfr h PHE 208 N 0.00 0.00 -1.00 3.04 0.04 -1.88 -3.41 116.94 113.74 1pfr h PHE 208 Ca 0.24 0.00 0.19 0.00 2.80 0.00 0.00 57.97 61.20 1pfr h PHE 208 Cb 1.20 0.00 -0.10 0.00 2.20 0.00 0.00 35.95 39.25 1pfr h PHE 208 CO 0.00 0.52 0.61 1.88 -0.60 0.00 0.00 178.31 180.72 1pfr h TYR 209 N 0.00 1.00 0.00 -0.55 -1.99 -1.75 0.16 116.97 113.83 1pfr h TYR 209 Ca -0.13 0.03 -0.08 0.00 2.00 0.00 0.00 58.73 60.55 1pfr h TYR 209 Cb 1.51 -0.30 -0.01 0.00 2.00 0.00 0.00 36.73 39.93 1pfr h TYR 209 CO 0.00 0.22 -0.40 -0.39 -0.00 0.00 0.00 178.16 177.59 1pfr h VAL 210 N 0.71 0.81 -0.08 -2.88 -1.51 -1.79 -1.64 116.25 109.86 1pfr h VAL 210 Ca 0.57 -1.75 -0.14 0.00 -1.23 0.00 0.00 66.70 64.15 1pfr h VAL 210 Cb 0.95 2.12 0.01 0.00 -2.13 0.00 0.00 31.29 32.24 1pfr h VAL 210 CO -0.35 0.39 -0.48 0.00 -1.23 0.00 0.00 177.57 175.90 1pfr h ALA 211 N 1.60 0.17 -0.21 5.19 0.00 -1.17 -2.14 119.26 122.69 1pfr h ALA 211 Ca -0.00 -0.50 0.02 0.00 0.00 0.00 0.00 54.91 54.42 1pfr h ALA 211 Cb 1.09 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 1pfr h ALA 211 CO 0.05 0.34 0.09 0.74 0.00 0.00 0.00 179.25 180.48 1pfr h PHE 212 N 0.03 0.17 -0.84 0.00 0.04 -0.74 -0.57 116.94 115.03 1pfr h PHE 212 Ca -0.04 0.01 0.03 0.00 2.80 0.00 0.00 57.97 60.77 1pfr h PHE 212 Cb 1.14 -0.05 -0.05 0.00 2.20 0.00 0.00 35.95 39.19 1pfr h PHE 212 CO 0.12 0.10 0.55 0.00 -0.60 0.00 0.00 178.31 178.48 1pfr h ALA 213 N 1.11 1.46 0.33 2.45 0.00 -1.30 0.35 119.26 123.67 1pfr h ALA 213 Ca 0.09 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1pfr h ALA 213 Cb 0.03 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.52 1pfr h ALA 213 CO -0.07 0.47 -0.16 0.00 0.00 0.00 0.00 179.25 179.49 1pfr h SER 215 N -0.77 -0.31 0.35 0.00 0.02 -0.62 0.10 113.55 112.32 1pfr h SER 215 Ca -0.05 0.16 -0.07 0.00 -0.84 0.00 0.00 61.79 61.00 1pfr h SER 215 Cb 0.51 0.29 -0.01 0.00 0.14 0.00 0.00 62.40 63.33 1pfr h SER 215 CO 0.08 -0.13 -0.33 -0.26 -1.14 0.00 0.00 176.83 175.05 1pfr h PHE 216 N 0.10 0.00 -0.61 3.45 0.04 -0.26 -2.73 116.94 116.93 1pfr h PHE 216 Ca 0.33 0.00 -0.06 0.00 2.80 0.00 0.00 57.97 61.04 1pfr h PHE 216 Cb 0.54 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.67 1pfr h PHE 216 CO -0.39 0.33 0.14 0.00 -0.60 0.00 0.00 178.31 177.79 1pfr h ALA 217 N 1.67 0.81 -0.49 2.45 0.00 0.70 -1.81 119.26 122.60 1pfr h ALA 217 Ca -0.00 -0.24 0.03 0.00 0.00 0.00 0.00 54.91 54.70 1pfr h ALA 217 Cb 0.59 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.11 1pfr h ALA 217 CO 0.04 0.53 0.27 0.74 0.00 0.00 0.00 179.25 180.83 1pfr h PHE 218 N 0.90 0.49 0.00 0.00 0.04 -1.08 -1.87 116.94 115.42 1pfr h PHE 218 Ca 0.19 0.02 -0.03 0.00 2.80 0.00 0.00 57.97 60.95 1pfr h PHE 218 Cb 0.37 -0.15 -0.00 0.00 2.20 0.00 0.00 35.95 38.37 1pfr h PHE 218 CO 0.03 0.26 -0.12 0.00 -0.60 0.00 0.00 178.31 177.88 1pfr h ALA 219 N 1.24 1.33 0.00 2.45 0.00 -1.20 -0.07 119.26 123.01 1pfr h ALA 219 Ca 0.20 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1pfr h ALA 219 Cb 0.07 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 1pfr h ALA 219 CO -0.12 0.15 -0.05 0.93 0.00 0.00 0.00 179.25 180.15 1pfr h GLU 220 N 0.00 0.00 -0.65 0.00 4.39 -0.51 -2.37 114.58 115.44 1pfr h GLU 220 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1pfr h GLU 220 Cb 0.32 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.97 1pfr h GLU 220 CO 0.02 0.05 0.00 0.54 -1.16 0.00 0.00 179.01 178.46 1pfr n ARG 221 N -3.11 3.76 -3.25 2.33 5.12 -0.13 -4.92 116.66 116.46 1pfr n ARG 221 Ca 0.04 -2.74 -0.22 0.00 -1.93 0.00 0.00 57.85 53.00 1pfr n ARG 221 Cb 0.55 -1.92 0.05 0.00 -1.16 0.00 0.00 32.46 29.98 1pfr n ARG 221 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 1pfr n GLU 222 N 0.99 -6.04 -4.24 5.56 1.02 -0.89 -5.02 120.64 112.02 1pfr n GLU 222 Ca 0.25 0.81 -0.19 0.00 -0.02 0.00 0.00 57.16 58.02 1pfr n GLU 222 Cb 0.90 -5.63 -0.11 0.00 -0.02 0.00 0.00 31.44 26.58 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 -6.58 2.38 -1.28 -4.62 1.43 -0.64 -4.83 118.68 104.54 1pfr s LEU 223 Ca 0.42 -0.78 -0.01 0.00 -1.03 0.00 0.00 54.13 52.73 1pfr s LEU 223 Cb -0.18 -0.58 -0.00 0.00 0.03 0.00 0.00 46.19 45.45 1pfr s LEU 223 CO 0.52 -0.12 0.75 0.23 0.23 0.00 0.00 176.35 177.96 1pfr n MET 224 N 0.64 -4.93 0.22 1.70 2.81 -1.26 -2.58 117.12 113.71 1pfr n MET 224 Ca -0.16 0.65 0.11 0.00 -1.81 0.00 0.00 57.70 56.49 1pfr n MET 224 Cb 0.56 -5.26 0.27 0.00 -0.71 0.00 0.00 33.22 28.09 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 -1.85 0.00 0.06 0.03 4.39 -1.93 -2.19 114.58 113.09 1pfr h GLU 225 Ca -0.61 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 58.99 1pfr h GLU 225 Cb 1.35 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 30.02 1pfr h GLU 225 CO 0.55 0.11 -0.42 0.78 -1.16 0.00 0.00 179.01 178.86 1pfr h GLY 226 N 3.36 0.21 0.26 -3.84 0.00 -1.91 -2.47 103.07 98.67 1pfr h GLY 226 Ca -0.00 -0.48 0.12 0.00 0.00 0.00 0.00 47.33 46.97 1pfr h GLY 226 CO 0.01 0.42 0.24 -0.57 0.00 0.00 0.00 176.54 176.64 1pfr h ASN 227 N -0.59 0.21 -0.78 0.19 -0.73 -1.88 -0.43 115.58 111.58 1pfr h ASN 227 Ca -0.07 0.10 0.03 0.00 1.87 0.00 0.00 56.30 58.22 1pfr h ASN 227 Cb 1.29 0.09 -0.04 0.00 0.27 0.00 0.00 38.32 39.92 1pfr h ASN 227 CO 0.08 0.10 0.51 0.00 -0.37 0.00 0.00 177.43 177.76 1pfr h ALA 228 N 1.48 1.51 -0.46 1.57 0.00 -1.36 0.17 119.26 122.17 1pfr h ALA 228 Ca 0.35 -0.04 -0.13 0.00 0.00 0.00 0.00 54.91 55.09 1pfr h ALA 228 Cb 0.49 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1pfr h ALA 228 CO -0.36 0.43 -0.21 0.87 0.00 0.00 0.00 179.25 179.98 1pfr h LYS 229 N 0.99 0.93 0.14 0.00 1.57 -0.64 -0.66 116.57 118.90 1pfr h LYS 229 Ca 0.30 -0.38 -0.01 0.00 -1.87 0.00 0.00 60.65 58.69 1pfr h LYS 229 Cb -0.01 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.27 1pfr h LYS 229 CO -0.08 1.04 -0.07 0.82 -0.57 0.00 0.00 179.45 180.59 1pfr h ILE 230 N 0.80 0.99 -0.93 1.86 2.04 -0.03 -2.14 117.51 120.11 1pfr h ILE 230 Ca 0.11 -0.60 0.21 0.00 1.00 0.00 0.00 64.86 65.58 1pfr h ILE 230 Cb 0.77 1.36 -0.07 0.00 -0.74 0.00 0.00 36.82 38.14 1pfr h ILE 230 CO 0.06 0.14 0.61 0.40 0.00 0.00 0.00 178.15 179.37 1pfr h ILE 231 N -0.48 0.65 -0.59 -0.67 1.08 -0.61 0.42 117.51 117.32 1pfr h ILE 231 Ca -0.02 -0.14 -0.01 0.00 -0.39 0.00 0.00 64.86 64.30 1pfr h ILE 231 Cb 0.38 0.21 -0.03 0.00 -3.07 0.00 0.00 36.82 34.31 1pfr h ILE 231 CO 0.03 0.07 0.34 -0.09 -0.69 0.00 0.00 178.15 177.82 1pfr h ARG 232 N 0.41 0.81 -0.36 2.37 2.43 -0.69 0.26 114.38 119.61 1pfr h ARG 232 Ca 0.49 -0.08 -0.08 0.00 -0.81 0.00 0.00 59.98 59.49 1pfr h ARG 232 Cb 1.23 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 30.60 1pfr h ARG 232 CO -0.19 0.60 -0.10 -0.07 -1.51 0.00 0.00 179.97 178.69 1pfr h LEU 233 N 0.79 0.71 -0.30 3.80 3.38 0.39 -1.91 115.31 122.18 1pfr h LEU 233 Ca 0.21 -0.37 0.02 0.00 0.09 0.00 0.00 57.88 57.83 1pfr h LEU 233 Cb 0.01 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.54 1pfr h LEU 233 CO -0.04 0.92 0.14 0.40 0.09 0.00 0.00 178.44 179.95 1pfr h ILE 234 N 0.49 0.97 -1.01 1.22 2.04 -0.51 -1.77 117.51 118.95 1pfr h ILE 234 Ca 0.09 -0.10 0.02 0.00 1.00 0.00 0.00 64.86 65.87 1pfr h ILE 234 Cb 0.62 0.66 -0.05 0.00 -0.74 0.00 0.00 36.82 37.30 1pfr h ILE 234 CO 0.04 0.05 0.67 0.00 0.00 0.00 0.00 178.15 178.91 1pfr h ALA 235 N 1.16 1.30 -0.31 1.87 0.00 -0.38 0.10 119.26 123.02 1pfr h ALA 235 Ca 0.13 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1pfr h ALA 235 Cb 0.06 -0.39 -0.02 0.00 0.00 0.00 0.00 17.79 17.44 1pfr h ALA 235 CO -0.10 0.63 0.10 -0.09 0.00 0.00 0.00 179.25 179.79 1pfr h ARG 236 N 1.33 0.43 -0.11 0.00 2.43 -0.55 -0.95 114.38 116.97 1pfr h ARG 236 Ca 0.38 -0.06 -0.06 0.00 -0.81 0.00 0.00 59.98 59.44 1pfr h ARG 236 Cb -0.10 -0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 29.37 1pfr h ARG 236 CO -0.10 0.39 -0.16 -0.44 -1.51 0.00 0.00 179.97 178.15 1pfr h ASP 237 N 0.43 0.33 -0.43 -3.80 3.32 -0.08 -3.05 116.42 113.14 1pfr h ASP 237 Ca 0.11 -0.52 0.08 0.00 0.02 0.00 0.00 57.03 56.71 1pfr h ASP 237 Cb 0.13 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 39.57 1pfr h ASP 237 CO -0.01 0.79 0.29 -0.33 -1.72 0.00 0.00 179.24 178.27 1pfr h GLU 238 N -0.12 0.21 -0.78 3.56 4.39 -0.31 -0.74 114.58 120.78 1pfr h GLU 238 Ca 0.01 -0.01 -0.03 0.00 0.34 0.00 0.00 59.36 59.67 1pfr h GLU 238 Cb 0.72 -0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 29.28 1pfr h GLU 238 CO 0.04 0.14 0.36 0.00 -1.16 0.00 0.00 179.01 178.39 1pfr h ALA 239 N 1.78 1.17 -0.27 3.43 0.00 -1.08 -0.34 119.26 123.94 1pfr h ALA 239 Ca 0.20 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 1pfr h ALA 239 Cb 0.50 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1pfr h ALA 239 CO -0.04 0.63 -0.09 -0.07 0.00 0.00 0.00 179.25 179.69 1pfr h LEU 240 N 1.12 0.54 -0.27 0.00 3.38 -1.16 -0.39 115.31 118.53 1pfr h LEU 240 Ca 0.27 -0.38 0.05 0.00 0.09 0.00 0.00 57.88 57.91 1pfr h LEU 240 Cb 0.13 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 40.68 1pfr h LEU 240 CO -0.03 0.80 -0.07 0.45 0.09 0.00 0.00 178.44 179.68 1pfr h HIS 241 N 0.28 -0.14 -0.43 1.13 3.86 -0.76 0.95 115.15 120.03 1pfr h HIS 241 Ca 0.07 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.29 1pfr h HIS 241 Cb 0.57 0.10 -0.02 0.00 1.06 0.00 0.00 27.41 29.13 1pfr h HIS 241 CO 0.05 -0.12 0.23 1.25 0.86 0.00 0.00 177.93 180.20 1pfr h LEU 242 N 0.00 0.55 -1.19 2.43 6.46 -1.00 0.67 115.31 123.24 1pfr h LEU 242 Ca 0.13 -0.11 0.10 0.00 -0.12 0.00 0.00 57.88 57.88 1pfr h LEU 242 Cb 0.20 -0.14 -0.07 0.00 -0.73 0.00 0.00 40.66 39.92 1pfr h LEU 242 CO -0.28 0.50 0.58 0.74 -0.62 0.00 0.00 178.44 179.36 1pfr h THR 243 N 0.56 0.97 -0.35 1.05 2.02 -0.34 -0.05 112.91 116.77 1pfr h THR 243 Ca 0.15 -0.31 -0.12 0.00 0.77 0.00 0.00 66.41 66.90 1pfr h THR 243 Cb 0.08 -0.01 -0.01 0.00 -1.74 0.00 0.00 68.15 66.47 1pfr h THR 243 CO -0.02 0.16 -0.27 1.23 0.37 0.00 0.00 175.52 176.99 1pfr h GLY 244 N 0.90 0.79 1.78 2.16 0.00 0.92 -2.54 103.07 107.09 1pfr h GLY 244 Ca 0.42 -0.70 -0.20 0.00 0.00 0.00 0.00 47.33 46.84 1pfr h GLY 244 CO -0.18 0.64 -0.92 -0.91 0.00 0.00 0.00 176.54 175.18 1pfr h THR 245 N 0.63 1.51 -0.66 4.70 1.35 0.46 -2.62 112.91 118.29 1pfr h THR 245 Ca 0.08 -2.71 -0.02 0.00 -0.55 0.00 0.00 66.41 63.21 1pfr h THR 245 Cb 0.78 2.53 -0.03 0.00 -1.73 0.00 0.00 68.15 69.70 1pfr h THR 245 CO 0.06 0.79 0.35 1.56 -0.25 0.00 0.00 175.52 178.04 1pfr h GLN 246 N 0.10 0.93 -0.51 4.72 4.20 -1.07 0.34 115.11 123.82 1pfr h GLN 246 Ca -0.05 -0.12 -0.06 0.00 0.06 0.00 0.00 58.65 58.48 1pfr h GLN 246 Cb 1.56 -0.18 -0.02 0.00 0.30 0.00 0.00 27.48 29.15 1pfr h GLN 246 CO 0.14 0.71 0.08 0.45 -0.67 0.00 0.00 178.83 179.54 1pfr h HIS 247 N 0.91 0.91 0.05 2.96 3.86 -1.44 0.50 115.15 122.89 1pfr h HIS 247 Ca 0.23 -0.13 -0.00 0.00 -1.16 0.00 0.00 60.37 59.31 1pfr h HIS 247 Cb 0.06 -0.25 -0.00 0.00 1.06 0.00 0.00 27.41 28.28 1pfr h HIS 247 CO -0.00 0.82 -0.04 0.52 0.86 0.00 0.00 177.93 180.09 1pfr h MET 248 N 0.73 -0.08 -0.45 2.45 2.86 -1.04 0.21 114.93 119.60 1pfr h MET 248 Ca 0.15 0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.79 1pfr h MET 248 Cb 0.41 0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.07 1pfr h MET 248 CO 0.01 -0.06 0.24 -0.07 1.06 0.00 0.00 176.91 178.09 1pfr h LEU 249 N -0.09 0.58 -1.06 1.22 3.38 -0.70 -0.49 115.31 118.15 1pfr h LEU 249 Ca -0.00 -0.10 -0.08 0.00 0.09 0.00 0.00 57.88 57.79 1pfr h LEU 249 Cb 0.08 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 1pfr h LEU 249 CO -0.00 0.51 -0.18 0.78 0.09 0.00 0.00 178.44 179.64 1pfr h ASN 250 N 0.59 0.45 -0.32 -0.43 2.35 0.28 -0.21 115.58 118.30 1pfr h ASN 250 Ca 0.16 -0.13 -0.17 0.00 -0.55 0.00 0.00 56.30 55.61 1pfr h ASN 250 Cb 0.07 -0.12 -0.00 0.00 0.05 0.00 0.00 38.32 38.32 1pfr h ASN 250 CO -0.02 0.65 -0.44 -0.07 -1.65 0.00 0.00 177.43 175.89 1pfr h LEU 251 N 0.41 0.96 -0.74 1.61 3.38 -0.32 -1.26 115.31 119.34 1pfr h LEU 251 Ca 0.07 -0.46 -0.00 0.00 0.09 0.00 0.00 57.88 57.58 1pfr h LEU 251 Cb 0.56 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 41.00 1pfr h LEU 251 CO 0.04 1.25 0.45 -0.07 0.09 0.00 0.00 178.44 180.20 1pfr h LEU 252 N 0.71 0.89 -1.02 1.67 3.38 -0.75 -2.91 115.31 117.27 1pfr h LEU 252 Ca 0.04 -0.06 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 1pfr h LEU 252 Cb 1.03 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.53 1pfr h LEU 252 CO 0.10 0.69 0.21 -0.09 0.09 0.00 0.00 178.44 179.44 1pfr h ARG 253 N 1.01 0.91 0.00 1.13 9.65 -0.56 -2.84 114.38 123.68 1pfr h ARG 253 Ca 0.27 -0.16 0.00 0.00 -1.10 0.00 0.00 59.98 58.98 1pfr h ARG 253 Cb -0.04 -0.15 0.00 0.00 -1.39 0.00 0.00 29.97 28.39 1pfr h ARG 253 CO -0.05 0.77 0.00 0.66 2.80 0.00 0.00 179.97 184.15 1pfr h SER 254 N 0.89 0.00 -0.03 -3.80 4.64 -1.04 -3.45 113.55 110.76 1pfr h SER 254 Ca 0.20 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.51 1pfr h SER 254 Cb 0.23 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.31 1pfr h SER 254 CO -0.01 0.00 -0.01 0.61 -0.87 0.00 0.00 176.83 176.54 1pfr n GLY 255 N -0.86 0.48 0.05 -0.77 0.00 -1.07 -4.89 105.19 98.13 1pfr n GLY 255 Ca -0.02 -0.40 0.12 0.00 0.00 0.00 0.00 46.02 45.72 1pfr n GLY 255 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pfr n ALA 256 N 1.01 2.98 -1.89 4.61 0.00 -1.25 -4.58 120.51 121.40 1pfr n ALA 256 Ca -0.01 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.18 1pfr n ALA 256 Cb 0.05 -1.19 0.00 0.00 0.00 0.00 0.00 19.45 18.31 1pfr n ALA 256 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1pfr n ASP 257 N -1.97 0.00 -4.71 0.00 2.03 -1.26 -4.97 116.55 105.68 1pfr n ASP 257 Ca 0.04 0.00 -0.42 0.00 0.52 0.00 0.00 54.79 54.93 1pfr n ASP 257 Cb 0.41 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.78 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 -1.00 7.07 0.45 1.67 2.15 -1.26 -4.92 116.67 120.82 1pfr s ASP 258 Ca 0.00 1.99 0.22 0.00 0.43 0.00 0.00 52.55 55.20 1pfr s ASP 258 Cb 0.00 -2.58 1.03 0.00 -0.30 0.00 0.00 42.92 41.07 1pfr s ASP 258 CO 0.00 -0.49 1.89 -0.65 -0.17 0.00 0.00 175.17 175.75 1pfr h PRO 259 N 6.92 0.00 0.00 4.34 0.11 -1.93 -2.70 132.00 138.73 1pfr h PRO 259 Ca -0.41 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.62 1pfr h PRO 259 Cb 1.21 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 1pfr h PRO 259 CO 0.82 0.24 -0.42 1.49 -0.21 0.00 0.00 178.00 179.93 1pfr h GLU 260 N 0.00 0.00 0.00 1.05 4.81 -1.96 -2.53 114.58 115.95 1pfr h GLU 260 Ca -0.00 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.16 1pfr h GLU 260 Cb 0.62 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.99 1pfr h GLU 260 CO 0.03 0.42 -0.34 0.52 -0.73 0.00 0.00 179.01 178.91 1pfr h MET 261 N 0.00 0.00 -0.09 1.92 2.86 -1.80 -1.38 114.93 116.44 1pfr h MET 261 Ca -0.00 0.00 -0.16 0.00 -2.06 0.00 0.00 59.70 57.48 1pfr h MET 261 Cb 0.79 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.44 1pfr h MET 261 CO 0.05 0.34 -0.64 0.00 1.06 0.00 0.00 176.91 177.72 1pfr h ALA 262 N 1.66 0.74 -0.19 6.32 0.00 -1.49 -1.56 119.26 124.74 1pfr h ALA 262 Ca -0.00 -0.56 -0.20 0.00 0.00 0.00 0.00 54.91 54.15 1pfr h ALA 262 Cb 0.76 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1pfr h ALA 262 CO 0.04 0.74 -0.67 0.93 0.00 0.00 0.00 179.25 180.29 1pfr h GLU 263 N 0.25 0.73 -0.42 0.00 5.08 -1.42 -2.85 114.58 115.94 1pfr h GLU 263 Ca -0.01 -0.53 -0.05 0.00 -1.00 0.00 0.00 59.36 57.77 1pfr h GLU 263 Cb 1.17 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 30.50 1pfr h GLU 263 CO 0.11 1.15 0.06 0.82 -1.00 0.00 0.00 179.01 180.15 1pfr h ILE 264 N 0.52 1.24 -0.41 3.13 2.04 -1.19 -0.31 117.51 122.54 1pfr h ILE 264 Ca -0.02 -0.89 0.04 0.00 1.00 0.00 0.00 64.86 64.99 1pfr h ILE 264 Cb 1.27 1.01 -0.04 0.00 -0.74 0.00 0.00 36.82 38.33 1pfr h ILE 264 CO 0.14 0.31 0.19 0.00 0.00 0.00 0.00 178.15 178.78 1pfr h ALA 265 N 0.93 0.50 0.30 1.87 0.00 -1.28 0.15 119.26 121.72 1pfr h ALA 265 Ca 0.13 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1pfr h ALA 265 Cb 0.38 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1pfr h ALA 265 CO 0.01 -0.18 -0.14 0.93 0.00 0.00 0.00 179.25 179.87 1pfr h GLU 266 N 0.38 -0.38 0.00 0.00 4.39 -1.41 -2.03 114.58 115.54 1pfr h GLU 266 Ca 0.18 0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.90 1pfr h GLU 266 Cb 0.11 0.09 0.00 0.00 -0.10 0.00 0.00 28.75 28.84 1pfr h GLU 266 CO -0.14 -0.16 0.00 1.05 -1.16 0.00 0.00 179.01 178.60 1pfr h GLU 267 N -0.54 0.00 -0.02 2.33 4.11 -0.67 -2.39 114.58 117.41 1pfr h GLU 267 Ca -0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.39 1pfr h GLU 267 Cb 0.40 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.65 1pfr h GLU 267 CO 0.07 0.00 -0.40 0.00 0.07 0.00 0.00 179.01 178.75 1pfr n LYS 269 N -0.01 -0.07 -0.04 0.00 4.81 -0.78 0.19 118.16 122.25 1pfr n LYS 269 Ca 0.10 1.42 -0.01 0.00 -0.87 0.00 0.00 58.31 58.96 1pfr n LYS 269 Cb 0.46 -2.41 0.26 0.00 0.02 0.00 0.00 35.03 33.36 1pfr n LYS 269 CO 0.00 0.00 0.00 0.37 1.17 0.00 0.00 177.40 178.94 1pfr h GLN 270 N 0.00 0.63 0.01 1.64 5.75 -1.83 -1.24 115.11 120.07 1pfr h GLN 270 Ca 0.72 -0.13 -0.25 0.00 -0.15 0.00 0.00 58.65 58.84 1pfr h GLN 270 Cb 1.74 -0.09 0.01 0.00 1.07 0.00 0.00 27.48 30.21 1pfr h GLN 270 CO -0.85 0.62 -1.01 0.93 -2.65 0.00 0.00 178.83 175.88 1pfr h GLU 271 N 0.60 0.56 -0.14 1.69 4.39 -0.60 -0.85 114.58 120.23 1pfr h GLU 271 Ca 0.13 -0.61 0.05 0.00 0.34 0.00 0.00 59.36 59.27 1pfr h GLU 271 Cb 0.33 0.17 -0.06 0.00 -0.10 0.00 0.00 28.75 29.09 1pfr h GLU 271 CO 0.01 1.23 -0.29 0.00 -1.16 0.00 0.00 179.01 178.79 1pfr h TYR 273 N -0.36 -0.72 -0.78 0.00 5.03 -1.11 -2.37 116.97 116.64 1pfr h TYR 273 Ca 0.10 0.04 -0.02 0.00 2.58 0.00 0.00 58.73 61.43 1pfr h TYR 273 Cb 0.52 0.36 -0.04 0.00 1.55 0.00 0.00 36.73 39.12 1pfr h TYR 273 CO -0.39 -0.34 0.42 -0.44 -1.32 0.00 0.00 178.16 176.09 1pfr h ASP 274 N -0.27 0.98 0.45 -2.11 3.32 -0.60 -1.44 116.42 116.75 1pfr h ASP 274 Ca 0.14 -0.09 -0.11 0.00 0.02 0.00 0.00 57.03 57.00 1pfr h ASP 274 Cb 0.49 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.77 1pfr h ASP 274 CO -0.41 0.80 -0.48 0.17 -1.72 0.00 0.00 179.24 177.59 1pfr h LEU 275 N 1.10 0.05 -0.35 1.55 8.10 -0.54 0.29 115.31 125.51 1pfr h LEU 275 Ca 0.28 -0.02 -0.11 0.00 0.11 0.00 0.00 57.88 58.13 1pfr h LEU 275 Cb 0.04 -0.01 -0.01 0.00 -0.44 0.00 0.00 40.66 40.24 1pfr h LEU 275 CO -0.04 0.53 -0.21 -0.26 -4.11 0.00 0.00 178.44 174.34 1pfr h PHE 276 N 0.04 0.90 -0.56 0.17 0.04 -1.04 -0.55 116.94 115.93 1pfr h PHE 276 Ca -0.00 -0.24 -0.08 0.00 2.80 0.00 0.00 57.97 60.46 1pfr h PHE 276 Cb 0.87 -0.20 -0.02 0.00 2.20 0.00 0.00 35.95 38.80 1pfr h PHE 276 CO 0.00 0.98 0.05 0.28 -0.60 0.00 0.00 178.31 179.02 1pfr h VAL 277 N 0.55 1.26 -0.70 -0.55 2.07 -0.90 -1.68 116.25 116.29 1pfr h VAL 277 Ca 0.07 -1.04 0.01 0.00 0.82 0.00 0.00 66.70 66.56 1pfr h VAL 277 Cb 0.77 0.83 -0.04 0.00 -1.52 0.00 0.00 31.29 31.34 1pfr h VAL 277 CO 0.06 0.38 0.47 1.56 0.02 0.00 0.00 177.57 180.05 1pfr h GLN 278 N 0.85 0.92 -0.30 1.57 7.50 -0.09 -2.17 115.11 123.38 1pfr h GLN 278 Ca 0.17 -0.06 -0.11 0.00 0.50 0.00 0.00 58.65 59.15 1pfr h GLN 278 Cb 0.47 -0.21 -0.01 0.00 0.05 0.00 0.00 27.48 27.79 1pfr h GLN 278 CO 0.02 0.61 -0.25 0.00 -1.50 0.00 0.00 178.83 177.70 1pfr h ALA 279 N 1.56 0.44 -0.20 3.87 0.00 -0.63 -2.03 119.26 122.28 1pfr h ALA 279 Ca 0.26 -0.38 0.04 0.00 0.00 0.00 0.00 54.91 54.83 1pfr h ALA 279 Cb -0.09 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.57 1pfr h ALA 279 CO -0.06 0.43 -0.04 0.00 0.00 0.00 0.00 179.25 179.57 1pfr h ALA 280 N 0.73 0.14 -0.78 0.00 0.00 -1.06 -0.11 119.26 118.17 1pfr h ALA 280 Ca 0.05 0.08 0.05 0.00 0.00 0.00 0.00 54.91 55.09 1pfr h ALA 280 Cb 0.81 0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.70 1pfr h ALA 280 CO 0.06 -0.47 0.51 0.37 0.00 0.00 0.00 179.25 179.72 1pfr h GLN 281 N 0.01 0.88 -0.32 0.00 -0.00 -1.32 -0.30 115.11 114.06 1pfr h GLN 281 Ca 0.10 -0.05 -0.11 0.00 -0.00 0.00 0.00 58.65 58.59 1pfr h GLN 281 Cb 0.14 -0.20 -0.01 0.00 0.00 0.00 0.00 27.48 27.41 1pfr h GLN 281 CO -0.20 0.58 -0.25 1.96 0.00 0.00 0.00 178.83 180.92 1pfr h GLN 282 N 0.90 0.63 -0.28 1.69 4.20 -0.48 -0.91 115.11 120.85 1pfr h GLN 282 Ca 0.32 -0.25 -0.16 0.00 0.06 0.00 0.00 58.65 58.63 1pfr h GLN 282 Cb 0.13 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.88 1pfr h GLN 282 CO -0.10 0.82 -0.45 0.93 -0.67 0.00 0.00 178.83 179.36 1pfr h GLU 283 N 0.55 0.73 -0.68 1.46 4.39 0.54 -1.36 114.58 120.21 1pfr h GLU 283 Ca 0.08 -0.41 -0.02 0.00 0.34 0.00 0.00 59.36 59.35 1pfr h GLU 283 Cb 0.72 0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 29.36 1pfr h GLU 283 CO 0.06 1.03 0.36 0.87 -1.16 0.00 0.00 179.01 180.16 1pfr h LYS 284 N 0.59 0.95 -0.62 2.33 1.57 -0.95 0.53 116.57 120.97 1pfr h LYS 284 Ca 0.04 -0.12 -0.07 0.00 -1.87 0.00 0.00 60.65 58.63 1pfr h LYS 284 Cb 1.01 -0.18 -0.03 0.00 0.08 0.00 0.00 32.23 33.11 1pfr h LYS 284 CO 0.10 0.72 0.11 -0.44 -0.57 0.00 0.00 179.45 179.38 1pfr h ASP 285 N 0.93 0.95 -0.67 0.86 3.32 -1.02 -2.16 116.42 118.63 1pfr h ASP 285 Ca 0.24 -0.21 0.02 0.00 0.02 0.00 0.00 57.03 57.10 1pfr h ASP 285 Cb 0.06 -0.25 -0.04 0.00 0.22 0.00 0.00 39.33 39.32 1pfr h ASP 285 CO -0.04 0.94 0.43 -0.25 -1.72 0.00 0.00 179.24 178.60 1pfr h TRP 286 N 0.95 0.80 -0.99 4.55 -0.00 -0.04 -1.22 115.95 120.00 1pfr h TRP 286 Ca 0.19 0.02 0.23 0.00 -0.00 0.00 0.00 58.89 59.33 1pfr h TRP 286 Cb 0.39 -0.26 -0.09 0.00 -0.00 0.00 0.00 29.16 29.20 1pfr h TRP 286 CO 0.03 0.47 0.63 0.00 -0.00 0.00 0.00 178.44 179.57 1pfr h ALA 287 N 1.28 2.08 0.26 2.65 0.00 -0.28 -0.67 119.26 124.58 1pfr h ALA 287 Ca 0.27 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.21 1pfr h ALA 287 Cb -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1pfr h ALA 287 CO -0.09 -0.44 -0.12 -0.44 0.00 0.00 0.00 179.25 178.15 1pfr h ASP 288 N 0.49 -0.29 -1.46 0.00 5.19 -1.05 -2.22 116.42 117.08 1pfr h ASP 288 Ca 0.55 0.01 0.48 0.00 -0.62 0.00 0.00 57.03 57.45 1pfr h ASP 288 Cb 1.25 0.08 -0.11 0.00 0.18 0.00 0.00 39.33 40.72 1pfr h ASP 288 CO -0.28 0.05 0.98 0.00 -3.12 0.00 0.00 179.24 176.88 1pfr n TYR 289 N -4.38 0.47 -0.02 4.55 9.36 -0.64 0.66 117.16 127.15 1pfr n TYR 289 Ca -0.04 0.47 -0.16 0.00 3.32 0.00 0.00 57.90 61.49 1pfr n TYR 289 Cb 0.14 -0.91 -0.10 0.00 -0.63 0.00 0.00 39.34 37.83 1pfr n TYR 289 CO 0.00 0.00 0.00 -0.07 0.22 0.00 0.00 176.86 177.01 1pfr h LEU 290 N 0.00 0.43 -5.76 2.98 4.07 -1.13 -3.30 115.31 112.60 1pfr h LEU 290 Ca 0.85 -0.70 -0.75 0.00 0.08 0.00 0.00 57.88 57.35 1pfr h LEU 290 Cb 2.93 -0.13 -0.19 0.00 1.08 0.00 0.00 40.66 44.35 1pfr h LEU 290 CO -0.31 1.07 1.72 0.49 -1.08 0.00 0.00 178.44 180.33 1pfr n PHE 291 N -4.36 2.61 0.00 1.13 3.01 0.21 -4.63 117.46 115.44 1pfr n PHE 291 Ca -0.09 -2.65 0.00 0.00 1.01 0.00 0.00 57.45 55.72 1pfr n PHE 291 Cb 0.56 -1.54 0.00 0.00 -0.01 0.00 0.00 39.48 38.49 1pfr n PHE 291 CO 0.00 0.00 0.00 -2.13 1.01 0.00 0.00 176.76 175.64 1pfr n ARG 292 N 0.91 0.00 -0.73 -1.08 0.00 -1.04 -4.79 116.66 109.94 1pfr n ARG 292 Ca 0.56 0.00 -0.09 0.00 -0.00 0.00 0.00 57.85 58.32 1pfr n ARG 292 Cb 0.27 -0.01 0.01 0.00 0.00 0.00 0.00 32.46 32.73 1pfr n ARG 292 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.63 177.23 1pfr n ASP 293 N -1.37 5.91 0.00 6.15 5.75 -1.26 -4.79 116.55 126.94 1pfr n ASP 293 Ca 0.00 -2.74 0.00 0.00 -0.01 0.00 0.00 54.79 52.04 1pfr n ASP 293 Cb 0.00 -1.11 0.00 0.00 -1.03 0.00 0.00 41.12 38.98 1pfr n ASP 293 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1pfr n GLY 294 N 0.97 0.44 0.00 6.12 0.00 -1.26 -4.67 105.19 106.79 1pfr n GLY 294 Ca 0.17 -1.21 0.00 0.00 0.00 0.00 0.00 46.02 44.98 1pfr n GLY 294 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1pfr n SER 295 N 0.00 0.00 -4.23 1.61 2.88 -1.26 -4.68 113.62 107.93 1pfr n SER 295 Ca 0.00 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.41 1pfr n SER 295 Cb 0.00 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.36 1pfr n SER 295 CO 0.00 0.00 0.00 -0.32 -1.23 0.00 0.00 175.04 173.49 1pfr s MET 296 N 1.54 1.14 -0.14 -1.46 1.75 -1.25 -4.56 119.30 116.31 1pfr s MET 296 Ca 0.00 -1.57 -0.12 0.00 -1.25 0.00 0.00 55.69 52.76 1pfr s MET 296 Cb 0.00 -0.11 -0.08 0.00 2.84 0.00 0.00 34.83 37.48 1pfr s MET 296 CO 0.00 -0.22 0.06 0.82 -0.65 0.00 0.00 175.02 175.03 1pfr h ILE 297 N 2.66 0.39 0.00 10.11 5.03 -2.04 -3.40 117.51 130.27 1pfr h ILE 297 Ca -0.37 -1.39 -0.10 0.00 -0.12 0.00 0.00 64.86 62.88 1pfr h ILE 297 Cb 1.22 0.84 -0.01 0.00 -3.03 0.00 0.00 36.82 35.83 1pfr h ILE 297 CO 0.61 0.13 -0.48 1.23 -0.68 0.00 0.00 178.15 178.96 1pfr h GLY 298 N -1.00 0.00 -2.82 5.37 0.00 -1.99 -3.47 103.07 99.16 1pfr h GLY 298 Ca -0.07 0.00 -0.26 0.00 0.00 0.00 0.00 47.33 47.00 1pfr h GLY 298 CO -0.04 0.00 -0.67 0.48 0.00 0.00 0.00 176.54 176.30 1pfr s LEU 299 N -7.14 2.22 0.23 3.11 2.34 -1.26 -5.11 118.68 113.07 1pfr s LEU 299 Ca 0.00 -1.12 -0.15 0.00 0.06 0.00 0.00 54.13 52.92 1pfr s LEU 299 Cb 0.11 -0.04 0.01 0.00 -0.56 0.00 0.00 46.19 45.71 1pfr s LEU 299 CO 0.72 -0.54 0.50 0.54 -1.06 0.00 0.00 176.35 176.51 1pfr s ASN 300 N -3.12 -0.15 0.39 1.48 2.20 -1.26 -3.91 114.94 110.57 1pfr s ASN 300 Ca 0.20 -0.75 0.17 0.00 -0.94 0.00 0.00 52.86 51.54 1pfr s ASN 300 Cb 0.06 0.59 1.07 0.00 -2.00 0.00 0.00 41.25 40.96 1pfr s ASN 300 CO 0.01 -1.11 1.78 0.50 -2.94 0.00 0.00 177.10 175.34 1pfr h LYS 301 N 2.24 0.42 -0.25 3.55 3.64 -1.90 -0.86 116.57 123.39 1pfr h LYS 301 Ca -0.26 -0.03 -0.17 0.00 -1.27 0.00 0.00 60.65 58.92 1pfr h LYS 301 Cb 1.25 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.98 1pfr h LYS 301 CO 0.36 0.28 -0.52 -0.44 -2.27 0.00 0.00 179.45 176.85 1pfr h ASP 302 N 0.43 0.89 -0.08 4.20 3.32 -1.96 -1.26 116.42 121.96 1pfr h ASP 302 Ca 0.57 -0.55 -0.00 0.00 0.02 0.00 0.00 57.03 57.07 1pfr h ASP 302 Cb 1.40 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 40.69 1pfr h ASP 302 CO -0.29 1.27 0.03 0.40 -1.72 0.00 0.00 179.24 178.94 1pfr h ILE 303 N 0.55 1.14 -0.28 0.35 1.08 -1.76 0.19 117.51 118.79 1pfr h ILE 303 Ca 0.01 -0.43 0.06 0.00 -0.39 0.00 0.00 64.86 64.11 1pfr h ILE 303 Cb 1.13 1.29 -0.06 0.00 -3.07 0.00 0.00 36.82 36.11 1pfr h ILE 303 CO 0.12 0.12 -0.11 -0.07 -0.69 0.00 0.00 178.15 177.52 1pfr h LEU 304 N -0.03 -0.37 -0.73 1.44 4.07 -1.16 -0.52 115.31 118.01 1pfr h LEU 304 Ca 0.03 0.10 0.09 0.00 0.08 0.00 0.00 57.88 58.17 1pfr h LEU 304 Cb 0.17 0.22 -0.07 0.00 1.08 0.00 0.00 40.66 42.06 1pfr h LEU 304 CO -0.00 -0.14 0.39 0.00 -1.08 0.00 0.00 178.44 177.61 1pfr h GLN 306 N 0.67 0.67 -0.45 0.00 4.20 0.86 -2.08 115.11 118.98 1pfr h GLN 306 Ca 0.35 -0.08 -0.01 0.00 0.06 0.00 0.00 58.65 58.97 1pfr h GLN 306 Cb 0.33 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 27.96 1pfr h GLN 306 CO -0.24 0.53 0.25 -0.92 -0.67 0.00 0.00 178.83 177.77 1pfr h TYR 307 N 0.63 0.61 -0.46 2.96 3.20 -0.07 0.16 116.97 123.99 1pfr h TYR 307 Ca 0.17 -0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.06 1pfr h TYR 307 Cb 0.06 -0.20 -0.03 0.00 1.54 0.00 0.00 36.73 38.11 1pfr h TYR 307 CO -0.02 0.46 0.31 0.28 -1.64 0.00 0.00 178.16 177.55 1pfr h VAL 308 N 0.58 1.04 -0.15 1.81 2.07 -0.13 1.00 116.25 122.47 1pfr h VAL 308 Ca 0.16 -0.17 -0.21 0.00 0.82 0.00 0.00 66.70 67.30 1pfr h VAL 308 Cb 0.05 0.49 0.01 0.00 -1.52 0.00 0.00 31.29 30.32 1pfr h VAL 308 CO -0.03 0.09 -0.73 -0.33 0.02 0.00 0.00 177.57 176.60 1pfr h GLU 309 N 0.50 0.75 0.01 1.57 5.08 -0.66 -0.46 114.58 121.38 1pfr h GLU 309 Ca 0.19 -0.61 0.03 0.00 -1.00 0.00 0.00 59.36 57.97 1pfr h GLU 309 Cb 0.13 0.13 -0.04 0.00 0.50 0.00 0.00 28.75 29.46 1pfr h GLU 309 CO -0.05 1.22 -0.24 -0.92 -1.00 0.00 0.00 179.01 178.03 1pfr h TYR 310 N 0.47 -0.63 -0.23 4.33 3.20 0.59 -2.51 116.97 122.18 1pfr h TYR 310 Ca -0.05 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 61.80 1pfr h TYR 310 Cb 1.36 0.28 -0.01 0.00 1.54 0.00 0.00 36.73 39.90 1pfr h TYR 310 CO 0.09 -0.33 -0.02 0.97 -1.64 0.00 0.00 178.16 177.23 1pfr h ILE 311 N -0.38 1.27 -0.85 1.81 6.09 -0.84 -3.09 117.51 121.52 1pfr h ILE 311 Ca 0.06 -0.96 0.14 0.00 -1.37 0.00 0.00 64.86 62.73 1pfr h ILE 311 Cb 0.45 1.43 -0.06 0.00 0.47 0.00 0.00 36.82 39.11 1pfr h ILE 311 CO -0.21 0.30 0.55 0.74 -3.07 0.00 0.00 178.15 176.47 1pfr h THR 312 N 0.18 0.84 -0.52 2.19 2.02 -0.98 -0.88 112.91 115.76 1pfr h THR 312 Ca 0.06 -0.22 -0.11 0.00 0.77 0.00 0.00 66.41 66.91 1pfr h THR 312 Cb 0.45 0.14 -0.02 0.00 -1.74 0.00 0.00 68.15 66.98 1pfr h THR 312 CO 0.02 0.12 -0.10 0.78 0.37 0.00 0.00 175.52 176.71 1pfr h ASN 313 N 0.65 0.99 0.15 4.18 4.21 -1.40 -1.24 115.58 123.12 1pfr h ASN 313 Ca 0.42 -0.35 -0.01 0.00 1.21 0.00 0.00 56.30 57.58 1pfr h ASN 313 Cb 0.70 -0.27 0.00 0.00 -1.12 0.00 0.00 38.32 37.63 1pfr h ASN 313 CO -0.18 1.10 -0.07 0.40 -1.29 0.00 0.00 177.43 177.39 1pfr h ILE 314 N 0.85 0.86 -0.70 2.81 1.08 -1.12 -2.61 117.51 118.68 1pfr h ILE 314 Ca 0.14 -0.03 -0.03 0.00 -0.39 0.00 0.00 64.86 64.55 1pfr h ILE 314 Cb 0.66 0.88 -0.03 0.00 -3.07 0.00 0.00 36.82 35.25 1pfr h ILE 314 CO 0.05 0.01 0.34 0.03 -0.69 0.00 0.00 178.15 177.88 1pfr h ARG 315 N -0.22 1.00 -0.18 2.37 -0.00 -1.22 -2.28 114.38 113.85 1pfr h ARG 315 Ca -0.02 -0.14 -0.16 0.00 -0.50 0.00 0.00 59.98 59.16 1pfr h ARG 315 Cb 0.17 -0.19 -0.01 0.00 0.00 0.00 0.00 29.97 29.94 1pfr h ARG 315 CO 0.03 0.77 -0.56 0.52 0.00 0.00 0.00 179.97 180.74 1pfr h MET 316 N 1.00 0.56 -0.23 0.04 2.86 -1.22 -2.97 114.93 114.96 1pfr h MET 316 Ca 0.24 -0.36 -0.11 0.00 -2.06 0.00 0.00 59.70 57.41 1pfr h MET 316 Cb 0.10 0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.79 1pfr h MET 316 CO -0.03 0.97 -0.34 0.37 1.06 0.00 0.00 176.91 178.94 1pfr h GLN 317 N 0.43 0.48 0.00 1.72 4.15 -1.23 0.96 115.11 121.62 1pfr h GLN 317 Ca 0.01 -0.21 -0.00 0.00 0.77 0.00 0.00 58.65 59.21 1pfr h GLN 317 Cb 1.11 -0.01 -0.00 0.00 0.21 0.00 0.00 27.48 28.79 1pfr h GLN 317 CO 0.11 0.76 -0.01 0.00 -1.93 0.00 0.00 178.83 177.76 1pfr h ALA 318 N 1.23 1.44 -0.43 3.38 0.00 -1.25 -1.33 119.26 122.30 1pfr h ALA 318 Ca 0.05 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1pfr h ALA 318 Cb 0.79 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1pfr h ALA 318 CO 0.06 0.01 0.00 1.33 0.00 0.00 0.00 179.25 180.65 1pfr n VAL 319 N -3.73 0.89 -0.86 0.00 0.24 -0.97 -4.96 118.33 108.94 1pfr n VAL 319 Ca -0.03 -0.95 0.00 0.00 -2.04 0.00 0.00 64.34 61.33 1pfr n VAL 319 Cb 0.09 0.59 0.00 0.00 -1.47 0.00 0.00 33.84 33.05 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 0.89 0.51 3.97 7.63 0.00 -0.50 -4.95 105.19 112.74 1pfr n GLY 320 Ca 0.15 -0.88 -0.21 0.00 0.00 0.00 0.00 46.02 45.08 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 0.00 3.77 0.56 0.99 1.43 0.29 -4.98 118.68 120.74 1pfr s LEU 321 Ca 0.00 0.01 -0.15 0.00 -1.03 0.00 0.00 54.13 52.96 1pfr s LEU 321 Cb 0.00 -2.92 -0.06 0.00 0.03 0.00 0.00 46.19 43.24 1pfr s LEU 321 CO 0.00 -0.61 1.01 -1.81 0.23 0.00 0.00 176.35 175.16 1pfr s ASP 322 N -4.22 6.41 -0.10 2.29 1.01 -1.26 -4.10 116.67 116.70 1pfr s ASP 322 Ca 0.48 1.54 -0.25 0.00 0.71 0.00 0.00 52.55 55.03 1pfr s ASP 322 Cb -0.10 -2.50 -0.03 0.00 1.01 0.00 0.00 42.92 41.31 1pfr s ASP 322 CO 0.34 -0.74 0.78 -0.76 0.21 0.00 0.00 175.17 175.01 1pfr s LEU 323 N -4.48 4.27 0.11 1.23 1.43 -1.26 -4.86 118.68 115.12 1pfr s LEU 323 Ca 0.58 1.23 0.18 0.00 -1.03 0.00 0.00 54.13 55.10 1pfr s LEU 323 Cb -0.11 -3.19 -0.09 0.00 0.03 0.00 0.00 46.19 42.83 1pfr s LEU 323 CO 0.39 -0.24 0.91 1.55 0.23 0.00 0.00 176.35 179.19 1pfr h PRO 324 N 6.99 0.00 -6.18 1.29 0.13 -1.95 -3.48 132.00 128.81 1pfr h PRO 324 Ca -0.37 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.25 1pfr h PRO 324 Cb 1.18 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.26 1pfr h PRO 324 CO 0.78 0.20 -0.51 -0.06 -0.23 0.00 0.00 178.00 178.18 1pfr s PHE 325 N -3.06 3.21 0.39 1.56 0.08 -1.26 -5.08 117.98 113.82 1pfr s PHE 325 Ca -0.02 -0.05 -0.27 0.00 0.12 0.00 0.00 56.93 56.71 1pfr s PHE 325 Cb 0.09 -1.48 -0.09 0.00 -0.57 0.00 0.00 43.02 40.96 1pfr s PHE 325 CO 0.80 0.51 1.35 -1.14 -0.10 0.00 0.00 175.22 176.64 1pfr s GLN 326 N -3.61 4.04 0.21 0.44 2.00 -1.26 -4.93 119.66 116.54 1pfr s GLN 326 Ca 0.33 2.27 -0.30 0.00 -2.00 0.00 0.00 55.36 55.65 1pfr s GLN 326 Cb -0.09 -2.85 -0.09 0.00 0.80 0.00 0.00 33.01 30.78 1pfr s GLN 326 CO 0.26 -0.47 1.33 0.99 -0.50 0.00 0.00 175.29 176.90 1pfr s THR 327 N -1.20 3.10 0.24 -0.34 2.01 -1.26 -4.91 115.64 113.27 1pfr s THR 327 Ca 0.55 0.91 -0.03 0.00 0.31 0.00 0.00 61.69 63.43 1pfr s THR 327 Cb -0.40 -3.58 -0.03 0.00 0.01 0.00 0.00 72.50 68.50 1pfr s THR 327 CO 0.53 0.14 0.26 0.00 -0.69 0.00 0.00 174.62 174.86 1pfr s ARG 328 N -0.21 1.41 0.36 4.92 1.70 -1.26 -5.16 118.95 120.72 1pfr s ARG 328 Ca 0.57 -1.58 -0.01 0.00 -0.47 0.00 0.00 55.73 54.24 1pfr s ARG 328 Cb -0.37 0.34 -0.03 0.00 -0.57 0.00 0.00 34.95 34.31 1pfr s ARG 328 CO 0.39 -0.52 0.59 -1.12 -1.08 0.00 0.00 175.30 173.56 1pfr s SER 329 N -3.15 6.30 0.08 -2.89 0.01 -1.26 -4.98 113.70 107.81 1pfr s SER 329 Ca 0.34 0.54 -0.33 0.00 1.31 0.00 0.00 55.95 57.82 1pfr s SER 329 Cb 0.04 -2.07 -0.12 0.00 0.21 0.00 0.00 66.02 64.08 1pfr s SER 329 CO 0.14 -0.33 1.76 -3.20 0.41 0.00 0.00 173.24 172.02 1pfr n ASN 330 N -1.80 3.57 -0.00 2.44 5.15 -1.26 -4.85 115.26 118.51 1pfr n ASN 330 Ca -0.04 1.02 0.15 0.00 -0.60 0.00 0.00 54.58 55.10 1pfr n ASN 330 Cb 0.56 -1.46 0.70 0.00 -0.53 0.00 0.00 39.78 39.05 1pfr n ASN 330 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 1pfr n PRO 331 N 5.16 0.29 -3.04 1.20 -0.04 -1.26 -4.12 135.00 133.18 1pfr n PRO 331 Ca 0.19 -0.01 -0.16 0.00 -0.04 0.00 0.00 63.50 63.49 1pfr n PRO 331 Cb 0.32 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.29 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 -1.35 -0.16 0.28 0.52 -5.35 -1.26 -4.96 119.36 107.08 1pfr n ILE 332 Ca 0.12 -3.54 0.10 0.00 -0.27 0.00 0.00 62.75 59.16 1pfr n ILE 332 Cb 0.28 0.18 0.55 0.00 -1.74 0.00 0.00 39.64 38.90 1pfr n ILE 332 CO 0.00 0.00 0.00 1.55 -1.76 0.00 0.00 176.55 176.34 1pfr h PRO 333 N 3.12 0.00 0.00 6.28 0.14 -1.98 0.20 132.00 139.75 1pfr h PRO 333 Ca 0.03 0.00 0.00 0.00 0.14 0.00 0.00 66.00 66.17 1pfr h PRO 333 Cb 1.00 0.00 0.00 0.00 0.14 0.00 0.00 31.00 32.14 1pfr h PRO 333 CO 0.38 0.00 0.00 0.11 0.14 0.00 0.00 178.00 178.63 1pfr h TRP 334 N 0.00 0.00 0.00 1.56 5.08 -1.95 -1.29 115.95 119.35 1pfr h TRP 334 Ca 0.00 0.00 -0.03 0.00 1.08 0.00 0.00 58.89 59.94 1pfr h TRP 334 Cb 0.86 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 27.01 1pfr h TRP 334 CO 0.00 0.00 -0.17 0.97 -1.28 0.00 0.00 178.44 177.96 1pfr h ILE 335 N 0.00 0.55 0.00 0.12 6.09 -1.02 -3.02 117.51 120.23 1pfr h ILE 335 Ca 0.00 -0.79 -0.01 0.00 -1.37 0.00 0.00 64.86 62.69 1pfr h ILE 335 Cb 0.20 1.53 -0.00 0.00 0.47 0.00 0.00 36.82 39.01 1pfr h ILE 335 CO 0.00 0.16 -0.05 0.78 -3.07 0.00 0.00 178.15 175.98 1pfr h ASN 336 N 0.00 0.00 0.43 2.19 4.21 -1.42 -2.38 115.58 118.61 1pfr h ASN 336 Ca -0.00 0.00 -0.14 0.00 1.21 0.00 0.00 56.30 57.37 1pfr h ASN 336 Cb 0.52 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.70 1pfr h ASN 336 CO 0.02 0.05 -0.60 0.74 -1.29 0.00 0.00 177.43 176.35 1pfr h THR 337 N 0.00 1.40 0.00 2.81 2.02 -1.71 -3.20 112.91 114.23 1pfr h THR 337 Ca -0.00 -1.99 -0.05 0.00 0.77 0.00 0.00 66.41 65.15 1pfr h THR 337 Cb 0.10 2.02 -0.01 0.00 -1.74 0.00 0.00 68.15 68.53 1pfr h THR 337 CO 0.01 0.58 -0.81 -0.50 0.37 0.00 0.00 175.52 175.17 1pfr h TRP 338 N 0.12 0.00 -4.17 3.16 4.06 -1.65 -3.48 115.95 113.99 1pfr h TRP 338 Ca -0.01 0.00 -0.47 0.00 2.06 0.00 0.00 58.89 60.47 1pfr h TRP 338 Cb 1.08 0.00 0.02 0.00 -1.00 0.00 0.00 29.16 29.26 1pfr h TRP 338 CO 0.01 0.18 0.37 -0.51 -3.56 0.00 0.00 178.44 174.94 1pfr s LEU 339 N -5.77 3.65 0.00 -4.49 1.02 -0.93 -4.87 118.68 107.29 1pfr s LEU 339 Ca 0.01 1.65 0.00 0.00 0.02 0.00 0.00 54.13 55.81 1pfr s LEU 339 Cb 0.08 -4.52 0.00 0.00 0.02 0.00 0.00 46.19 41.77 1pfr s LEU 339 CO 0.76 -0.69 0.00 0.52 0.02 0.00 0.00 176.35 176.97