#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wa2 h LEU 9 N 0.00 0.88 -0.47 3.22 3.38 -1.97 -1.54 115.31 118.81 2wa2 h LEU 9 Ca 0.00 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 2wa2 h LEU 9 Cb 0.00 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 2wa2 h LEU 9 CO 0.00 0.58 0.26 1.23 0.09 0.00 0.00 178.44 180.61 2wa2 h GLY 10 N 1.01 0.70 1.33 0.83 0.00 -1.93 -0.17 103.07 104.84 2wa2 h GLY 10 Ca 0.36 -0.31 -0.04 0.00 0.00 0.00 0.00 47.33 47.34 2wa2 h GLY 10 CO -0.12 0.30 0.20 0.83 0.00 0.00 0.00 176.54 177.75 2wa2 h GLU 11 N 0.62 0.85 -0.21 4.80 5.08 -1.79 -0.34 114.58 123.61 2wa2 h GLU 11 Ca 0.17 -0.14 -0.03 0.00 -1.00 0.00 0.00 59.36 58.35 2wa2 h GLU 11 Cb 0.04 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.14 2wa2 h GLU 11 CO -0.03 0.72 0.02 0.82 -1.00 0.00 0.00 179.01 179.55 2wa2 h ILE 12 N 0.84 1.23 -0.51 3.13 2.04 -0.95 -1.11 117.51 122.19 2wa2 h ILE 12 Ca 0.19 -0.78 0.10 0.00 1.00 0.00 0.00 64.86 65.37 2wa2 h ILE 12 Cb 0.21 1.35 -0.09 0.00 -0.74 0.00 0.00 36.82 37.55 2wa2 h ILE 12 CO -0.01 0.24 -0.06 -0.25 0.00 0.00 0.00 178.15 178.07 2wa2 h TRP 13 N 0.14 -0.14 -0.34 1.37 7.01 -0.80 -0.74 115.95 122.43 2wa2 h TRP 13 Ca 0.06 0.04 -0.02 0.00 2.11 0.00 0.00 58.89 61.08 2wa2 h TRP 13 Cb 0.34 0.14 -0.01 0.00 -2.10 0.00 0.00 29.16 27.53 2wa2 h TRP 13 CO 0.02 -0.17 0.13 -0.22 -2.79 0.00 0.00 178.44 175.41 2wa2 h LYS 14 N 0.06 0.52 -0.25 2.65 1.63 -0.88 0.14 116.57 120.44 2wa2 h LYS 14 Ca 0.25 -0.10 0.04 0.00 -0.85 0.00 0.00 60.65 59.99 2wa2 h LYS 14 Cb 0.39 -0.08 -0.03 0.00 -0.60 0.00 0.00 32.23 31.90 2wa2 h LYS 14 CO -0.47 0.53 0.04 -0.09 -3.45 0.00 0.00 179.45 176.01 2wa2 h ARG 15 N 0.41 0.13 -0.66 1.90 1.12 -0.94 -1.81 114.38 114.53 2wa2 h ARG 15 Ca 0.11 -0.01 0.01 0.00 -1.11 0.00 0.00 59.98 58.98 2wa2 h ARG 15 Cb 0.21 -0.03 -0.03 0.00 -0.01 0.00 0.00 29.97 30.10 2wa2 h ARG 15 CO -0.01 0.09 0.44 0.87 -3.11 0.00 0.00 179.97 178.25 2wa2 h LYS 16 N 0.14 0.87 -0.52 0.20 1.57 -0.89 -2.77 116.57 115.16 2wa2 h LYS 16 Ca 0.12 -0.05 0.05 0.00 -1.87 0.00 0.00 60.65 58.89 2wa2 h LYS 16 Cb 0.12 -0.20 -0.05 0.00 0.08 0.00 0.00 32.23 32.19 2wa2 h LYS 16 CO -0.16 0.58 0.27 1.25 -0.57 0.00 0.00 179.45 180.82 2wa2 h LEU 17 N 0.90 0.39 -1.44 2.94 5.85 -0.41 -1.34 115.31 122.20 2wa2 h LEU 17 Ca 0.24 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.99 2wa2 h LEU 17 Cb -0.10 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 40.88 2wa2 h LEU 17 CO -0.05 0.26 0.00 0.78 -0.34 0.00 0.00 178.44 179.09 2wa2 h ASN 18 N 0.52 0.00 0.69 1.25 2.35 -1.13 -2.27 115.58 116.99 2wa2 h ASN 18 Ca 0.23 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.98 2wa2 h ASN 18 Cb 0.14 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.51 2wa2 h ASN 18 CO -0.16 0.00 -0.44 0.00 -1.65 0.00 0.00 177.43 175.18 2wa2 n GLN 19 N -2.50 0.08 -2.61 0.81 6.02 -0.51 -4.91 117.38 113.76 2wa2 n GLN 19 Ca -0.00 0.03 -0.40 0.00 -0.01 0.00 0.00 57.00 56.61 2wa2 n GLN 19 Cb 0.14 -1.55 -0.05 0.00 1.02 0.00 0.00 30.24 29.80 2wa2 n GLN 19 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2wa2 s LEU 20 N -3.34 4.58 0.00 1.08 1.43 -0.86 -5.05 118.68 116.52 2wa2 s LEU 20 Ca 0.10 2.09 -0.15 0.00 -1.03 0.00 0.00 54.13 55.15 2wa2 s LEU 20 Cb 0.17 -3.62 0.20 0.00 0.03 0.00 0.00 46.19 42.97 2wa2 s LEU 20 CO 0.68 -0.02 1.21 -0.90 0.23 0.00 0.00 176.35 177.55 2wa2 n ASP 21 N 1.55 0.15 -0.04 2.29 5.68 -1.26 -4.67 116.55 120.24 2wa2 n ASP 21 Ca -0.01 -1.47 -0.09 0.00 -0.50 0.00 0.00 54.79 52.72 2wa2 n ASP 21 Cb 0.46 -0.92 -0.03 0.00 -1.14 0.00 0.00 41.12 39.49 2wa2 n ASP 21 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2wa2 h ALA 22 N -1.75 0.17 -0.39 2.12 0.00 -1.98 0.26 119.26 117.67 2wa2 h ALA 22 Ca -0.39 0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.47 2wa2 h ALA 22 Cb 1.10 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 2wa2 h ALA 22 CO 0.28 -0.44 -0.16 0.87 0.00 0.00 0.00 179.25 179.81 2wa2 h LYS 23 N 0.05 0.80 -0.63 0.00 1.57 -1.99 -1.56 116.57 114.80 2wa2 h LYS 23 Ca 0.09 -0.33 -0.03 0.00 -1.87 0.00 0.00 60.65 58.51 2wa2 h LYS 23 Cb 0.12 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.37 2wa2 h LYS 23 CO -0.16 0.96 0.28 0.93 -0.57 0.00 0.00 179.45 180.88 2wa2 h GLU 24 N 0.60 0.92 -0.34 3.15 5.08 -1.83 -1.44 114.58 120.72 2wa2 h GLU 24 Ca 0.09 -0.15 -0.02 0.00 -1.00 0.00 0.00 59.36 58.28 2wa2 h GLU 24 Cb 0.70 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.77 2wa2 h GLU 24 CO 0.05 0.76 0.14 0.35 -1.00 0.00 0.00 179.01 179.31 2wa2 h PHE 25 N 0.87 0.52 -0.48 4.33 3.57 -0.40 0.54 116.94 125.90 2wa2 h PHE 25 Ca 0.21 -0.04 0.01 0.00 3.53 0.00 0.00 57.97 61.69 2wa2 h PHE 25 Cb 0.16 -0.16 -0.03 0.00 2.79 0.00 0.00 35.95 38.72 2wa2 h PHE 25 CO 0.01 0.48 0.31 0.52 -2.23 0.00 0.00 178.31 177.39 2wa2 h MET 26 N 0.41 0.60 -0.20 1.11 2.86 -1.05 -0.25 114.93 118.42 2wa2 h MET 26 Ca 0.12 -0.04 -0.08 0.00 -2.06 0.00 0.00 59.70 57.64 2wa2 h MET 26 Cb 0.18 -0.14 -0.00 0.00 0.06 0.00 0.00 31.60 31.70 2wa2 h MET 26 CO -0.01 0.40 -0.20 0.00 1.06 0.00 0.00 176.91 178.16 2wa2 h ALA 27 N 1.19 0.29 -0.46 6.32 0.00 -1.18 -3.22 119.26 122.19 2wa2 h ALA 27 Ca 0.18 -0.35 0.01 0.00 0.00 0.00 0.00 54.91 54.74 2wa2 h ALA 27 Cb -0.05 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 2wa2 h ALA 27 CO -0.05 0.22 0.30 -0.92 0.00 0.00 0.00 179.25 178.80 2wa2 h TYR 28 N 0.15 0.58 0.00 0.00 3.20 -0.74 -2.97 116.97 117.19 2wa2 h TYR 28 Ca 0.03 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.89 2wa2 h TYR 28 Cb 0.75 -0.19 -0.00 0.00 1.54 0.00 0.00 36.73 38.82 2wa2 h TYR 28 CO 0.08 0.36 -0.12 0.07 -1.64 0.00 0.00 178.16 176.91 2wa2 h ARG 29 N 0.62 0.00 -0.02 1.82 0.11 -1.05 -1.89 114.38 113.98 2wa2 h ARG 29 Ca 0.17 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.25 2wa2 h ARG 29 Cb -0.07 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.01 2wa2 h ARG 29 CO -0.04 0.12 -0.33 2.89 0.10 0.00 0.00 179.97 182.71 2wa2 n ARG 30 N -3.52 1.54 -1.72 0.08 1.85 -1.20 -0.90 116.66 112.78 2wa2 n ARG 30 Ca -0.01 -1.03 -0.43 0.00 -1.00 0.00 0.00 57.85 55.39 2wa2 n ARG 30 Cb 0.26 -1.36 -0.03 0.00 -1.05 0.00 0.00 32.46 30.28 2wa2 n ARG 30 CO 0.00 0.00 0.00 0.50 -0.01 0.00 0.00 177.63 178.12 2wa2 s ARG 31 N -2.06 3.65 -0.75 2.89 3.52 -0.71 -1.47 118.95 124.02 2wa2 s ARG 31 Ca 0.17 2.20 0.00 0.00 -0.13 0.00 0.00 55.73 57.97 2wa2 s ARG 31 Cb 0.15 -4.23 0.00 0.00 -1.56 0.00 0.00 34.95 29.31 2wa2 s ARG 31 CO 0.44 -1.50 0.00 1.19 -0.81 0.00 0.00 175.30 174.62 2wa2 n PHE 32 N 9.45 0.00 -3.04 5.12 3.72 0.47 -4.91 117.46 128.28 2wa2 n PHE 32 Ca 0.24 0.00 -0.37 0.00 -0.05 0.00 0.00 57.45 57.27 2wa2 n PHE 32 Cb 0.43 -2.29 -0.06 0.00 -0.94 0.00 0.00 39.48 36.63 2wa2 n PHE 32 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 2wa2 s VAL 33 N -1.72 4.48 -0.61 -4.37 1.01 -0.54 -4.73 120.40 113.93 2wa2 s VAL 33 Ca 0.00 1.44 -0.28 0.00 0.00 0.00 0.00 61.98 63.14 2wa2 s VAL 33 Cb 0.00 -3.94 0.03 0.00 0.00 0.00 0.00 36.38 32.47 2wa2 s VAL 33 CO 0.00 0.28 1.27 -0.69 0.00 0.00 0.00 175.10 175.96 2wa2 s VAL 34 N -1.44 3.90 -0.34 2.92 1.01 -0.81 -0.66 120.40 124.98 2wa2 s VAL 34 Ca 0.42 0.75 -0.09 0.00 0.00 0.00 0.00 61.98 63.06 2wa2 s VAL 34 Cb -0.18 -4.69 0.02 0.00 0.00 0.00 0.00 36.38 31.53 2wa2 s VAL 34 CO 0.22 -1.40 0.15 -1.61 0.00 0.00 0.00 175.10 172.47 2wa2 s GLU 35 N 5.25 2.91 0.35 2.72 0.41 0.29 -4.28 118.70 126.35 2wa2 s GLU 35 Ca 0.44 -1.01 -0.28 0.00 -0.41 0.00 0.00 54.97 53.71 2wa2 s GLU 35 Cb -0.08 -3.58 -0.10 0.00 -1.78 0.00 0.00 34.13 28.59 2wa2 s GLU 35 CO 0.23 -0.60 1.31 0.14 -0.49 0.00 0.00 175.26 175.85 2wa2 s VAL 36 N 1.52 2.67 -0.57 2.63 -7.23 -1.26 -1.66 120.40 116.50 2wa2 s VAL 36 Ca 0.02 0.65 -0.27 0.00 -1.81 0.00 0.00 61.98 60.57 2wa2 s VAL 36 Cb -0.19 -3.41 0.03 0.00 0.56 0.00 0.00 36.38 33.38 2wa2 s VAL 36 CO 0.05 0.14 1.13 -0.62 -0.31 0.00 0.00 175.10 175.49 2wa2 s ASP 37 N -0.54 6.43 0.00 4.85 -1.08 0.06 -4.86 116.67 121.54 2wa2 s ASP 37 Ca 0.51 0.02 0.26 0.00 -0.52 0.00 0.00 52.55 52.82 2wa2 s ASP 37 Cb -0.40 -2.52 0.70 0.00 -1.46 0.00 0.00 42.92 39.24 2wa2 s ASP 37 CO 0.52 -1.40 1.55 0.54 0.52 0.00 0.00 175.17 176.90 2wa2 n ARG 38 N 8.16 1.94 0.02 4.34 5.12 -1.26 -4.05 116.66 130.92 2wa2 n ARG 38 Ca 0.07 -1.37 -0.11 0.00 -1.93 0.00 0.00 57.85 54.51 2wa2 n ARG 38 Cb 0.49 -1.47 -0.04 0.00 -1.16 0.00 0.00 32.46 30.28 2wa2 n ARG 38 CO 0.00 0.00 0.00 -0.91 -1.93 0.00 0.00 177.63 174.79 2wa2 h ASN 39 N 3.26 -0.89 0.03 0.55 -0.26 -2.00 0.18 115.58 116.45 2wa2 h ASN 39 Ca 0.00 0.13 -0.00 0.00 -0.56 0.00 0.00 56.30 55.87 2wa2 h ASN 39 Cb 0.69 0.38 0.00 0.00 -1.06 0.00 0.00 38.32 38.33 2wa2 h ASN 39 CO 0.00 -0.34 -0.01 -0.08 -1.06 0.00 0.00 177.43 175.94 2wa2 h GLU 40 N -0.38 -0.04 -0.49 0.81 4.81 -2.00 -2.26 114.58 115.03 2wa2 h GLU 40 Ca 0.09 0.00 0.09 0.00 -0.13 0.00 0.00 59.36 59.42 2wa2 h GLU 40 Cb 0.52 0.01 -0.08 0.00 0.63 0.00 0.00 28.75 29.82 2wa2 h GLU 40 CO -0.31 0.14 -0.02 0.00 -0.73 0.00 0.00 179.01 178.09 2wa2 h ALA 41 N 0.76 0.43 -0.95 2.92 0.00 -1.84 -1.35 119.26 119.23 2wa2 h ALA 41 Ca -0.00 0.15 0.03 0.00 0.00 0.00 0.00 54.91 55.08 2wa2 h ALA 41 Cb 0.19 0.27 -0.05 0.00 0.00 0.00 0.00 17.79 18.20 2wa2 h ALA 41 CO 0.01 -0.40 0.63 -0.09 0.00 0.00 0.00 179.25 179.39 2wa2 h ARG 42 N 0.09 1.20 0.11 0.00 2.43 -0.80 -0.49 114.38 116.93 2wa2 h ARG 42 Ca 0.24 -0.07 -0.01 0.00 -0.81 0.00 0.00 59.98 59.34 2wa2 h ARG 42 Cb 0.37 -0.27 0.00 0.00 -0.42 0.00 0.00 29.97 29.65 2wa2 h ARG 42 CO -0.42 0.80 -0.06 1.49 -1.51 0.00 0.00 179.97 180.27 2wa2 h GLU 43 N 1.24 -0.15 -0.99 0.20 4.57 -1.03 -0.40 114.58 118.01 2wa2 h GLU 43 Ca 0.37 0.01 0.04 0.00 -1.18 0.00 0.00 59.36 58.60 2wa2 h GLU 43 Cb -0.06 0.03 -0.06 0.00 -0.16 0.00 0.00 28.75 28.51 2wa2 h GLU 43 CO -0.10 0.08 0.65 0.00 -1.18 0.00 0.00 179.01 178.45 2wa2 h ALA 44 N 0.49 1.37 -0.14 2.92 0.00 -0.86 -1.29 119.26 121.76 2wa2 h ALA 44 Ca -0.02 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 2wa2 h ALA 44 Cb 0.30 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 2wa2 h ALA 44 CO 0.03 0.52 -0.11 -0.07 0.00 0.00 0.00 179.25 179.61 2wa2 h LEU 45 N 1.23 0.34 -1.87 0.00 3.38 -1.07 -0.16 115.31 117.15 2wa2 h LEU 45 Ca 0.40 -0.46 0.20 0.00 0.09 0.00 0.00 57.88 58.12 2wa2 h LEU 45 Cb 0.05 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 40.67 2wa2 h LEU 45 CO -0.14 0.73 0.54 0.00 0.09 0.00 0.00 178.44 179.66 2wa2 h ALA 46 N 0.62 2.55 -0.22 1.53 0.00 -0.54 0.51 119.26 123.71 2wa2 h ALA 46 Ca 0.03 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2wa2 h ALA 46 Cb 0.62 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.44 2wa2 h ALA 46 CO 0.03 -0.77 0.00 1.63 0.00 0.00 0.00 179.25 180.14 2wa2 n LYS 47 N -4.37 1.81 -1.80 0.00 5.02 -0.53 -4.95 118.16 113.34 2wa2 n LYS 47 Ca 0.15 -1.23 -0.15 0.00 -2.02 0.00 0.00 58.31 55.06 2wa2 n LYS 47 Cb 0.76 -1.38 -0.04 0.00 -0.02 0.00 0.00 35.03 34.35 2wa2 n LYS 47 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2wa2 n GLY 48 N 1.15 0.75 3.77 0.72 0.00 0.18 -4.99 105.19 106.77 2wa2 n GLY 48 Ca 0.16 -0.30 -0.38 0.00 0.00 0.00 0.00 46.02 45.49 2wa2 n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wa2 s LYS 49 N -3.90 4.20 -0.00 1.61 1.02 -0.11 -4.95 119.74 117.61 2wa2 s LYS 49 Ca 0.00 1.71 0.00 0.00 0.02 0.00 0.00 55.97 57.71 2wa2 s LYS 49 Cb 0.00 -2.72 -0.01 0.00 -0.52 0.00 0.00 37.83 34.59 2wa2 s LYS 49 CO 0.00 -0.16 0.02 0.25 -0.92 0.00 0.00 175.35 174.54 2wa2 n THR 50 N 0.22 0.00 -1.33 2.17 -2.24 -1.26 -4.64 114.28 107.19 2wa2 n THR 50 Ca 0.04 -0.37 0.06 0.00 -2.27 0.00 0.00 64.05 61.51 2wa2 n THR 50 Cb 0.47 0.87 0.19 0.00 -2.10 0.00 0.00 70.33 69.76 2wa2 n THR 50 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 2wa2 n ASN 51 N -1.14 2.28 -0.66 3.42 6.94 -1.26 -0.45 115.26 124.39 2wa2 n ASN 51 Ca 0.00 -3.51 0.12 0.00 -0.02 0.00 0.00 54.58 51.17 2wa2 n ASN 51 Cb 0.01 -0.51 0.12 0.00 -2.36 0.00 0.00 39.78 37.03 2wa2 n ASN 51 CO 0.00 0.00 0.00 0.35 -1.03 0.00 0.00 177.26 176.58 2wa2 n THR 52 N -1.17 0.00 -1.01 5.53 -2.24 -1.26 -4.95 114.28 109.18 2wa2 n THR 52 Ca 0.21 -0.35 -0.00 0.00 -2.27 0.00 0.00 64.05 61.64 2wa2 n THR 52 Cb 0.75 1.22 -0.00 0.00 -2.10 0.00 0.00 70.33 70.20 2wa2 n THR 52 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wa2 n GLY 53 N 1.36 0.47 3.83 3.38 0.00 -1.26 -4.94 105.19 108.03 2wa2 n GLY 53 Ca 0.12 -0.17 -0.36 0.00 0.00 0.00 0.00 46.02 45.62 2wa2 n GLY 53 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2wa2 s HIS 54 N -1.94 3.64 0.47 1.61 3.76 -1.26 -0.84 115.29 120.73 2wa2 s HIS 54 Ca 0.00 1.16 -0.23 0.00 -0.15 0.00 0.00 55.06 55.84 2wa2 s HIS 54 Cb 0.00 -2.44 -0.07 0.00 1.11 0.00 0.00 32.58 31.18 2wa2 s HIS 54 CO 0.00 0.43 1.20 0.00 -0.85 0.00 0.00 174.74 175.52 2wa2 s ALA 55 N -1.43 2.97 -0.89 -1.40 0.00 -1.26 -4.92 121.76 114.83 2wa2 s ALA 55 Ca 0.38 1.01 0.27 0.00 0.00 0.00 0.00 51.96 53.61 2wa2 s ALA 55 Cb -0.16 -3.41 0.92 0.00 0.00 0.00 0.00 23.12 20.47 2wa2 s ALA 55 CO 0.19 -0.77 1.75 1.33 0.00 0.00 0.00 175.76 178.26 2wa2 n VAL 56 N -0.53 0.19 -3.83 0.00 0.24 -1.26 -4.89 118.33 108.26 2wa2 n VAL 56 Ca 0.07 -0.10 -0.07 0.00 -2.04 0.00 0.00 64.34 62.20 2wa2 n VAL 56 Cb 0.47 -0.37 0.00 0.00 -1.47 0.00 0.00 33.84 32.48 2wa2 n VAL 56 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 2wa2 s SER 57 N -3.53 -0.11 0.47 -1.34 1.04 -1.26 -4.95 113.70 104.01 2wa2 s SER 57 Ca 0.12 -0.82 0.31 0.00 0.48 0.00 0.00 55.95 56.04 2wa2 s SER 57 Cb 0.16 0.73 1.70 0.00 0.10 0.00 0.00 66.02 68.72 2wa2 s SER 57 CO 0.59 -1.40 1.96 0.03 0.98 0.00 0.00 173.24 175.40 2wa2 h ARG 58 N 2.00 0.00 -0.44 4.02 3.08 -2.00 -3.16 114.38 117.88 2wa2 h ARG 58 Ca -0.26 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.78 2wa2 h ARG 58 Cb 1.24 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.27 2wa2 h ARG 58 CO 0.32 0.00 0.23 0.78 -1.07 0.00 0.00 179.97 180.23 2wa2 h GLY 59 N 0.00 0.65 0.99 0.04 0.00 -1.95 -3.08 103.07 99.73 2wa2 h GLY 59 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 47.33 47.05 2wa2 h GLY 59 CO 0.00 0.27 0.14 -0.84 0.00 0.00 0.00 176.54 176.11 2wa2 h THR 60 N 0.61 1.07 -0.08 4.70 2.02 -1.74 -1.77 112.91 117.72 2wa2 h THR 60 Ca 0.16 -0.14 -0.02 0.00 0.77 0.00 0.00 66.41 67.17 2wa2 h THR 60 Cb 0.04 0.76 -0.01 0.00 -1.74 0.00 0.00 68.15 67.20 2wa2 h THR 60 CO -0.02 0.06 -0.06 0.00 0.37 0.00 0.00 175.52 175.87 2wa2 h ALA 61 N 1.07 1.74 0.03 6.16 0.00 -1.79 0.79 119.26 127.26 2wa2 h ALA 61 Ca 0.08 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 2wa2 h ALA 61 Cb -0.02 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.72 2wa2 h ALA 61 CO -0.02 0.19 -0.01 0.87 0.00 0.00 0.00 179.25 180.28 2wa2 h LYS 62 N 0.12 -0.04 -0.70 0.00 1.57 -1.42 -1.13 116.57 114.97 2wa2 h LYS 62 Ca 0.03 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 2wa2 h LYS 62 Cb 0.19 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.48 2wa2 h LYS 62 CO 0.01 0.27 0.40 1.25 -0.57 0.00 0.00 179.45 180.81 2wa2 h LEU 63 N -0.35 0.86 -0.89 2.94 5.85 -0.78 -1.94 115.31 121.01 2wa2 h LEU 63 Ca -0.00 -0.09 0.08 0.00 0.84 0.00 0.00 57.88 58.71 2wa2 h LEU 63 Cb 0.33 -0.22 -0.07 0.00 0.37 0.00 0.00 40.66 41.07 2wa2 h LEU 63 CO 0.01 0.70 0.54 0.00 -0.34 0.00 0.00 178.44 179.35 2wa2 h ALA 64 N 1.20 1.25 -0.44 1.25 0.00 -0.84 0.43 119.26 122.12 2wa2 h ALA 64 Ca 0.25 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.12 2wa2 h ALA 64 Cb 0.02 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 2wa2 h ALA 64 CO -0.04 0.23 0.10 2.35 0.00 0.00 0.00 179.25 181.89 2wa2 h TRP 65 N 0.94 0.74 -0.64 0.00 7.01 -0.54 -0.54 115.95 122.92 2wa2 h TRP 65 Ca 0.41 -0.09 -0.04 0.00 2.11 0.00 0.00 58.89 61.27 2wa2 h TRP 65 Cb 0.28 -0.21 -0.03 0.00 -2.10 0.00 0.00 29.16 27.10 2wa2 h TRP 65 CO -0.03 0.69 0.24 0.82 -2.79 0.00 0.00 178.44 177.36 2wa2 h ILE 66 N 0.57 1.24 -0.35 2.65 2.04 -0.91 -3.00 117.51 119.76 2wa2 h ILE 66 Ca 0.14 -0.78 -0.12 0.00 1.00 0.00 0.00 64.86 65.09 2wa2 h ILE 66 Cb 0.33 0.55 -0.01 0.00 -0.74 0.00 0.00 36.82 36.95 2wa2 h ILE 66 CO 0.00 0.31 -0.27 -0.78 0.00 0.00 0.00 178.15 177.41 2wa2 h ASP 67 N 0.91 0.84 0.67 1.72 3.58 -0.51 -0.62 116.42 123.02 2wa2 h ASP 67 Ca 0.21 -0.44 0.00 0.00 0.42 0.00 0.00 57.03 57.22 2wa2 h ASP 67 Cb 0.24 -0.24 0.00 0.00 1.72 0.00 0.00 39.33 41.06 2wa2 h ASP 67 CO -0.01 1.11 0.00 -0.33 -2.88 0.00 0.00 179.24 177.12 2wa2 h GLU 68 N 0.58 0.00 -0.66 0.28 5.08 -1.06 -0.58 114.58 118.23 2wa2 h GLU 68 Ca 0.07 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 2wa2 h GLU 68 Cb 0.84 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.09 2wa2 h GLU 68 CO 0.07 0.00 0.00 0.54 -1.00 0.00 0.00 179.01 178.62 2wa2 n ARG 69 N -3.02 3.09 -1.34 2.33 1.74 -0.95 -4.94 116.66 113.57 2wa2 n ARG 69 Ca -0.00 -2.69 -0.06 0.00 -0.77 0.00 0.00 57.85 54.33 2wa2 n ARG 69 Cb 0.22 -1.65 -0.02 0.00 -1.02 0.00 0.00 32.46 29.99 2wa2 n ARG 69 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2wa2 n GLY 70 N 1.32 0.72 0.19 -0.13 0.00 -0.22 -4.94 105.19 102.14 2wa2 n GLY 70 Ca 0.24 -0.76 0.08 0.00 0.00 0.00 0.00 46.02 45.58 2wa2 n GLY 70 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2wa2 h GLY 71 N 0.00 0.00 -5.57 -0.02 0.00 -1.28 -3.37 103.07 92.82 2wa2 h GLY 71 Ca -0.13 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.13 2wa2 h GLY 71 CO 0.18 0.00 -0.26 0.54 0.00 0.00 0.00 176.54 177.00 2wa2 s VAL 72 N -3.35 -0.30 -0.56 4.60 0.11 -1.26 0.21 120.40 119.85 2wa2 s VAL 72 Ca 0.03 0.10 -0.28 0.00 -2.93 0.00 0.00 61.98 58.89 2wa2 s VAL 72 Cb 0.09 -0.72 0.03 0.00 -1.53 0.00 0.00 36.38 34.24 2wa2 s VAL 72 CO 0.68 0.04 1.23 -0.70 -3.33 0.00 0.00 175.10 173.02 2wa2 s GLU 73 N 1.95 3.51 -0.36 1.54 2.12 -1.26 -4.79 118.70 121.41 2wa2 s GLU 73 Ca -0.07 0.35 -0.22 0.00 0.36 0.00 0.00 54.97 55.39 2wa2 s GLU 73 Cb -0.09 -4.02 0.01 0.00 0.26 0.00 0.00 34.13 30.28 2wa2 s GLU 73 CO -0.14 -1.68 0.75 -0.51 -0.54 0.00 0.00 175.26 173.13 2wa2 s LEU 74 N 5.10 4.16 0.21 2.70 1.43 -1.26 -4.61 118.68 126.40 2wa2 s LEU 74 Ca 0.46 0.33 -0.22 0.00 -1.03 0.00 0.00 54.13 53.67 2wa2 s LEU 74 Cb -0.08 -2.97 0.05 0.00 0.03 0.00 0.00 46.19 43.22 2wa2 s LEU 74 CO 0.27 -0.68 0.69 -1.59 0.23 0.00 0.00 176.35 175.26 2wa2 s LYS 75 N 2.98 1.49 6.18 1.70 -2.85 -1.26 -4.15 119.74 123.84 2wa2 s LYS 75 Ca 0.30 -0.72 0.00 0.00 -1.00 0.00 0.00 55.97 54.55 2wa2 s LYS 75 Cb -0.14 0.58 0.00 0.00 -2.06 0.00 0.00 37.83 36.21 2wa2 s LYS 75 CO 0.16 -0.67 0.00 0.41 0.10 0.00 0.00 175.35 175.35 2wa2 n GLY 76 N -0.42 2.32 3.62 0.59 0.00 -0.23 -4.08 105.19 107.00 2wa2 n GLY 76 Ca -0.10 -0.44 -0.41 0.00 0.00 0.00 0.00 46.02 45.07 2wa2 n GLY 76 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2wa2 s THR 77 N 0.00 4.97 -0.15 2.61 2.01 -1.26 -0.63 115.64 123.18 2wa2 s THR 77 Ca 0.00 1.09 -0.03 0.00 0.31 0.00 0.00 61.69 63.06 2wa2 s THR 77 Cb 0.00 -3.95 -0.03 0.00 0.01 0.00 0.00 72.50 68.53 2wa2 s THR 77 CO 0.00 -0.01 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.18 2wa2 s VAL 78 N 2.54 3.79 -0.12 3.82 1.01 -0.09 -0.55 120.40 130.80 2wa2 s VAL 78 Ca 0.26 -0.40 -0.05 0.00 0.00 0.00 0.00 61.98 61.80 2wa2 s VAL 78 Cb -0.15 -2.65 -0.04 0.00 0.00 0.00 0.00 36.38 33.54 2wa2 s VAL 78 CO 0.09 0.50 0.05 0.68 0.00 0.00 0.00 175.10 176.42 2wa2 s VAL 79 N 0.32 4.71 -0.34 2.92 -7.23 -0.36 -0.50 120.40 119.91 2wa2 s VAL 79 Ca -0.05 -0.09 0.04 0.00 -1.81 0.00 0.00 61.98 60.08 2wa2 s VAL 79 Cb -0.14 -3.04 0.10 0.00 0.56 0.00 0.00 36.38 33.86 2wa2 s VAL 79 CO 0.03 0.57 0.05 -0.62 -0.31 0.00 0.00 175.10 174.83 2wa2 s ASP 80 N -0.57 4.75 -0.18 4.85 2.15 -0.32 -0.38 116.67 126.97 2wa2 s ASP 80 Ca 0.10 -2.16 -0.19 0.00 0.43 0.00 0.00 52.55 50.73 2wa2 s ASP 80 Cb -0.12 -1.61 -0.03 0.00 -0.30 0.00 0.00 42.92 40.86 2wa2 s ASP 80 CO 0.02 -0.38 0.56 -0.76 -0.17 0.00 0.00 175.17 174.44 2wa2 s LEU 81 N 0.91 4.17 -0.46 -1.34 1.43 0.05 -1.50 118.68 121.94 2wa2 s LEU 81 Ca 0.11 0.77 -0.00 0.00 -1.03 0.00 0.00 54.13 53.98 2wa2 s LEU 81 Cb -0.19 -2.79 -0.00 0.00 0.03 0.00 0.00 46.19 43.24 2wa2 s LEU 81 CO -0.08 -0.18 0.39 0.61 0.23 0.00 0.00 176.35 177.31 2wa2 n GLY 82 N 3.74 0.12 0.22 -3.19 0.00 0.29 -2.93 105.19 103.44 2wa2 n GLY 82 Ca -0.04 -0.20 0.10 0.00 0.00 0.00 0.00 46.02 45.89 2wa2 n GLY 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wa2 n GLY 84 N 0.05 3.36 0.28 0.00 0.00 -1.26 -0.91 105.19 106.72 2wa2 n GLY 84 Ca -0.00 -0.17 0.14 0.00 0.00 0.00 0.00 46.02 45.99 2wa2 n GLY 84 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2wa2 h ARG 85 N 0.00 0.00 0.00 1.61 3.08 -1.79 -2.71 114.38 114.57 2wa2 h ARG 85 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2wa2 h ARG 85 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 2wa2 h ARG 85 CO 0.00 0.07 0.00 0.41 -1.07 0.00 0.00 179.97 179.38 2wa2 n GLY 86 N -0.88 1.24 0.24 0.04 0.00 -0.08 -0.44 105.19 105.30 2wa2 n GLY 86 Ca -0.02 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.04 2wa2 n GLY 86 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2wa2 h SER 87 N 0.00 0.16 -0.16 1.61 4.64 -1.91 -0.30 113.55 117.60 2wa2 h SER 87 Ca 0.00 -0.03 -0.16 0.00 -0.47 0.00 0.00 61.79 61.13 2wa2 h SER 87 Cb 0.00 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 62.04 2wa2 h SER 87 CO 0.00 0.29 -0.47 -0.50 -0.87 0.00 0.00 176.83 175.28 2wa2 h TRP 88 N 0.17 0.89 -0.38 4.77 4.06 -1.85 -2.07 115.95 121.53 2wa2 h TRP 88 Ca 0.04 -0.29 -0.04 0.00 2.06 0.00 0.00 58.89 60.66 2wa2 h TRP 88 Cb 0.30 -0.18 -0.02 0.00 -1.00 0.00 0.00 29.16 28.27 2wa2 h TRP 88 CO 0.00 1.05 0.08 0.77 -3.56 0.00 0.00 178.44 176.79 2wa2 h SER 89 N 0.58 0.59 -0.77 -3.49 0.02 -1.54 -0.52 113.55 108.42 2wa2 h SER 89 Ca 0.03 -0.24 -0.02 0.00 -0.84 0.00 0.00 61.79 60.72 2wa2 h SER 89 Cb 1.03 -0.15 -0.04 0.00 0.14 0.00 0.00 62.40 63.38 2wa2 h SER 89 CO 0.10 0.67 0.40 1.88 -1.14 0.00 0.00 176.83 178.75 2wa2 h TYR 90 N 0.47 1.08 0.19 3.45 0.05 -1.12 0.46 116.97 121.55 2wa2 h TYR 90 Ca 0.12 -0.03 -0.01 0.00 0.05 0.00 0.00 58.73 58.86 2wa2 h TYR 90 Cb 0.32 -0.34 0.00 0.00 1.01 0.00 0.00 36.73 37.72 2wa2 h TYR 90 CO 0.02 0.76 -0.09 -0.92 -1.05 0.00 0.00 178.16 176.88 2wa2 h TYR 91 N 1.09 -0.24 -0.80 4.88 3.20 -1.09 -2.75 116.97 121.27 2wa2 h TYR 91 Ca 0.27 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.13 2wa2 h TYR 91 Cb 0.06 0.08 -0.04 0.00 1.54 0.00 0.00 36.73 38.37 2wa2 h TYR 91 CO 0.01 -0.10 0.47 0.00 -1.64 0.00 0.00 178.16 176.90 2wa2 h ALA 92 N 0.49 1.02 0.00 1.82 0.00 -0.87 -2.38 119.26 119.34 2wa2 h ALA 92 Ca -0.03 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 2wa2 h ALA 92 Cb 0.24 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 2wa2 h ALA 92 CO 0.04 0.49 -0.08 0.00 0.00 0.00 0.00 179.25 179.70 2wa2 h ALA 93 N 1.25 1.40 -0.00 0.00 0.00 -0.78 -1.63 119.26 119.49 2wa2 h ALA 93 Ca 0.29 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.12 2wa2 h ALA 93 Cb -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.75 2wa2 h ALA 93 CO -0.05 0.10 -0.22 -1.13 0.00 0.00 0.00 179.25 177.95 2wa2 n SER 94 N -3.77 0.50 -4.76 0.00 3.41 -0.90 -4.38 113.62 103.71 2wa2 n SER 94 Ca -0.02 -0.37 -0.39 0.00 -0.26 0.00 0.00 58.87 57.83 2wa2 n SER 94 Cb 0.18 -0.02 -0.05 0.00 -0.26 0.00 0.00 64.21 64.06 2wa2 n SER 94 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 2wa2 s GLN 95 N -2.70 4.44 0.30 4.33 -1.52 -0.62 -4.95 119.66 118.93 2wa2 s GLN 95 Ca 0.21 0.98 0.05 0.00 -1.95 0.00 0.00 55.36 54.65 2wa2 s GLN 95 Cb 0.19 -3.32 0.77 0.00 -0.22 0.00 0.00 33.01 30.43 2wa2 s GLN 95 CO 0.55 0.41 1.70 -1.35 -0.25 0.00 0.00 175.29 176.35 2wa2 h PRO 96 N 5.23 0.41 -0.02 2.91 0.11 -1.91 -2.30 132.00 136.44 2wa2 h PRO 96 Ca -0.46 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2wa2 h PRO 96 Cb 1.21 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.22 2wa2 h PRO 96 CO 0.69 0.27 -0.10 0.09 -0.21 0.00 0.00 178.00 178.73 2wa2 n ASN 97 N -5.02 1.88 -4.74 -2.05 3.02 -1.26 -4.88 115.26 102.20 2wa2 n ASN 97 Ca 0.23 -1.52 -0.41 0.00 -0.03 0.00 0.00 54.58 52.85 2wa2 n ASN 97 Cb 0.68 0.08 -0.05 0.00 -0.61 0.00 0.00 39.78 39.89 2wa2 n ASN 97 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2wa2 s VAL 98 N -2.15 4.48 -0.15 2.41 1.01 -0.87 -1.06 120.40 124.07 2wa2 s VAL 98 Ca 0.30 1.98 0.07 0.00 0.00 0.00 0.00 61.98 64.33 2wa2 s VAL 98 Cb 0.20 -4.28 -0.14 0.00 0.00 0.00 0.00 36.38 32.16 2wa2 s VAL 98 CO 0.39 0.36 -0.05 0.54 0.00 0.00 0.00 175.10 176.34 2wa2 n ARG 99 N 2.58 1.14 -3.54 2.72 1.74 0.19 -4.79 116.66 116.70 2wa2 n ARG 99 Ca 0.01 0.04 -0.14 0.00 -0.77 0.00 0.00 57.85 56.99 2wa2 n ARG 99 Cb 0.49 -1.34 -0.05 0.00 -1.02 0.00 0.00 32.46 30.54 2wa2 n ARG 99 CO 0.00 0.00 0.00 -1.83 -1.52 0.00 0.00 177.63 174.28 2wa2 s GLU 100 N -2.33 1.09 -0.10 5.56 -1.05 -1.09 -4.91 118.70 115.87 2wa2 s GLU 100 Ca -0.15 -0.26 0.01 0.00 -0.15 0.00 0.00 54.97 54.42 2wa2 s GLU 100 Cb 0.05 0.50 0.02 0.00 -0.44 0.00 0.00 34.13 34.26 2wa2 s GLU 100 CO 0.47 -0.41 -0.10 0.08 0.95 0.00 0.00 175.26 176.26 2wa2 s VAL 101 N -2.66 1.12 -0.32 1.83 1.01 -0.18 -0.92 120.40 120.29 2wa2 s VAL 101 Ca -0.04 -0.39 -0.07 0.00 0.00 0.00 0.00 61.98 61.49 2wa2 s VAL 101 Cb -0.00 -1.09 0.03 0.00 0.00 0.00 0.00 36.38 35.31 2wa2 s VAL 101 CO -0.03 0.37 0.09 -0.54 0.00 0.00 0.00 175.10 174.99 2wa2 s LYS 102 N 1.35 2.83 -0.05 2.72 -0.14 0.35 -0.82 119.74 125.97 2wa2 s LYS 102 Ca -0.01 -1.03 0.04 0.00 -1.36 0.00 0.00 55.97 53.60 2wa2 s LYS 102 Cb -0.14 -3.41 -0.02 0.00 -1.68 0.00 0.00 37.83 32.58 2wa2 s LYS 102 CO -0.05 -0.56 -0.15 0.00 -0.76 0.00 0.00 175.35 173.83 2wa2 s ALA 103 N 1.45 2.64 -0.00 5.17 0.00 -0.19 -1.18 121.76 129.64 2wa2 s ALA 103 Ca 0.00 -0.98 -0.00 0.00 0.00 0.00 0.00 51.96 50.98 2wa2 s ALA 103 Cb -0.18 -0.97 0.00 0.00 0.00 0.00 0.00 23.12 21.97 2wa2 s ALA 103 CO 0.03 0.53 0.01 0.71 0.00 0.00 0.00 175.76 177.04 2wa2 s TYR 104 N -0.65 -0.01 0.08 0.00 2.02 -0.56 -0.75 117.35 117.48 2wa2 s TYR 104 Ca 0.10 0.03 -0.26 0.00 -0.37 0.00 0.00 57.07 56.57 2wa2 s TYR 104 Cb -0.11 0.00 0.08 0.00 -0.40 0.00 0.00 41.96 41.53 2wa2 s TYR 104 CO 0.01 -0.01 0.66 -0.08 -1.57 0.00 0.00 175.55 174.56 2wa2 s THR 105 N -0.02 0.00 0.05 -0.71 -1.32 -0.78 -0.55 115.64 112.31 2wa2 s THR 105 Ca -0.00 0.00 -0.33 0.00 -1.21 0.00 0.00 61.69 60.14 2wa2 s THR 105 Cb -0.00 -1.00 -0.18 0.00 -1.51 0.00 0.00 72.50 69.80 2wa2 s THR 105 CO 0.00 0.00 1.46 -0.07 -2.21 0.00 0.00 174.62 173.80 2wa2 h LEU 106 N 2.24 -1.02 1.77 9.08 3.38 -1.86 -2.08 115.31 126.81 2wa2 h LEU 106 Ca -0.31 0.04 -0.34 0.00 0.09 0.00 0.00 57.88 57.36 2wa2 h LEU 106 Cb 1.26 0.26 -0.06 0.00 0.09 0.00 0.00 40.66 42.21 2wa2 h LEU 106 CO 0.37 -0.71 -0.38 0.61 0.09 0.00 0.00 178.44 178.42 2wa2 n GLY 107 N -1.48 0.44 3.98 0.83 0.00 -1.25 0.13 105.19 107.83 2wa2 n GLY 107 Ca -0.15 -0.20 -0.18 0.00 0.00 0.00 0.00 46.02 45.49 2wa2 n GLY 107 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2wa2 s THR 108 N -2.75 3.04 -0.18 2.61 -4.23 -1.26 -4.76 115.64 108.11 2wa2 s THR 108 Ca 0.00 -1.07 -0.38 0.00 -1.18 0.00 0.00 61.69 59.06 2wa2 s THR 108 Cb 0.00 -3.04 -0.18 0.00 1.34 0.00 0.00 72.50 70.63 2wa2 s THR 108 CO 0.00 -0.02 1.13 -1.20 -0.54 0.00 0.00 174.62 174.00 2wa2 n SER 109 N -1.77 0.43 0.00 3.99 7.64 -1.26 0.60 113.62 123.26 2wa2 n SER 109 Ca 0.06 1.03 0.00 0.00 1.01 0.00 0.00 58.87 60.97 2wa2 n SER 109 Cb 0.59 -0.79 0.00 0.00 -1.01 0.00 0.00 64.21 63.00 2wa2 n SER 109 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2wa2 n GLY 110 N 2.22 3.10 3.84 0.23 0.00 -1.26 -5.04 105.19 108.28 2wa2 n GLY 110 Ca 0.22 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.92 2wa2 n GLY 110 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2wa2 s HIS 111 N -2.22 3.36 0.25 1.61 4.02 0.20 -5.07 115.29 117.43 2wa2 s HIS 111 Ca 0.00 0.20 -0.30 0.00 1.02 0.00 0.00 55.06 55.98 2wa2 s HIS 111 Cb 0.00 -1.72 -0.10 0.00 -1.02 0.00 0.00 32.58 29.75 2wa2 s HIS 111 CO 0.00 0.57 1.39 -1.21 1.02 0.00 0.00 174.74 176.50 2wa2 s GLU 112 N -2.21 4.31 0.11 1.40 0.41 -1.26 -4.33 118.70 117.13 2wa2 s GLU 112 Ca 0.29 2.23 0.01 0.00 -0.41 0.00 0.00 54.97 57.09 2wa2 s GLU 112 Cb -0.12 -3.13 -0.04 0.00 -1.78 0.00 0.00 34.13 29.06 2wa2 s GLU 112 CO 0.21 -0.35 0.26 0.15 -0.49 0.00 0.00 175.26 175.05 2wa2 s LYS 113 N -0.50 3.45 0.21 1.61 1.02 -1.26 -3.89 119.74 120.39 2wa2 s LYS 113 Ca 0.57 -0.49 -0.32 0.00 0.02 0.00 0.00 55.97 55.76 2wa2 s LYS 113 Cb -0.40 -2.99 -0.14 0.00 -0.52 0.00 0.00 37.83 33.78 2wa2 s LYS 113 CO 0.43 0.55 1.29 -2.30 -0.92 0.00 0.00 175.35 174.41 2wa2 n PRO 114 N -0.14 1.65 -3.49 -1.68 -0.02 -1.02 -3.85 135.00 126.45 2wa2 n PRO 114 Ca -0.06 0.59 -0.37 0.00 -2.02 0.00 0.00 63.50 61.64 2wa2 n PRO 114 Cb 0.52 -2.17 -0.08 0.00 -0.02 0.00 0.00 33.50 31.76 2wa2 n PRO 114 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 2wa2 s ARG 115 N -0.46 4.18 -0.45 -0.52 6.06 0.41 -4.95 118.95 123.22 2wa2 s ARG 115 Ca 0.70 0.07 -0.16 0.00 -2.50 0.00 0.00 55.73 53.84 2wa2 s ARG 115 Cb -0.73 -3.51 0.05 0.00 0.06 0.00 0.00 34.95 30.82 2wa2 s ARG 115 CO 0.51 0.06 0.41 -0.51 -2.50 0.00 0.00 175.30 173.27 2wa2 s LEU 116 N 1.02 5.30 0.30 -0.88 1.43 -1.26 -4.85 118.68 119.75 2wa2 s LEU 116 Ca 0.16 -1.07 0.03 0.00 -1.03 0.00 0.00 54.13 52.21 2wa2 s LEU 116 Cb -0.14 -2.24 -0.05 0.00 0.03 0.00 0.00 46.19 43.79 2wa2 s LEU 116 CO 0.06 -0.62 0.12 0.68 0.23 0.00 0.00 176.35 176.81 2wa2 s VAL 117 N 1.85 0.59 -0.40 -1.59 -7.23 -1.26 -4.87 120.40 107.49 2wa2 s VAL 117 Ca 0.07 -2.00 0.05 0.00 -1.81 0.00 0.00 61.98 58.29 2wa2 s VAL 117 Cb -0.21 -2.58 0.44 0.00 0.56 0.00 0.00 36.38 34.58 2wa2 s VAL 117 CO 0.09 0.00 1.29 -0.62 -0.31 0.00 0.00 175.10 175.55 2wa2 n GLU 118 N -0.59 3.43 -1.41 4.82 1.02 0.40 -4.86 120.64 123.45 2wa2 n GLU 118 Ca -0.01 -4.16 -0.32 0.00 -0.02 0.00 0.00 57.16 52.66 2wa2 n GLU 118 Cb 0.66 -2.27 0.08 0.00 -0.02 0.00 0.00 31.44 29.88 2wa2 n GLU 118 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 2wa2 s THR 119 N -4.94 3.29 -0.30 2.62 -4.23 -1.26 -2.03 115.64 108.80 2wa2 s THR 119 Ca 0.51 0.47 -0.41 0.00 -1.18 0.00 0.00 61.69 61.09 2wa2 s THR 119 Cb 0.42 -2.97 -0.16 0.00 1.34 0.00 0.00 72.50 71.13 2wa2 s THR 119 CO -0.06 -0.50 1.70 0.33 -0.54 0.00 0.00 174.62 175.55 2wa2 n PHE 120 N -3.19 1.96 -0.67 3.99 7.35 0.46 -1.29 117.46 126.07 2wa2 n PHE 120 Ca 0.09 0.65 0.00 0.00 -0.76 0.00 0.00 57.45 57.43 2wa2 n PHE 120 Cb 0.53 -2.41 0.00 0.00 0.35 0.00 0.00 39.48 37.94 2wa2 n PHE 120 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2wa2 n GLY 121 N 4.06 0.74 0.45 7.13 0.00 -0.48 -3.26 105.19 113.82 2wa2 n GLY 121 Ca 0.27 0.00 0.26 0.00 0.00 0.00 0.00 46.02 46.55 2wa2 n GLY 121 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 173.32 173.43 2wa2 h TRP 122 N 0.00 0.40 0.00 1.61 5.08 -1.35 0.57 115.95 122.25 2wa2 h TRP 122 Ca 0.00 0.01 0.00 0.00 1.08 0.00 0.00 58.89 59.98 2wa2 h TRP 122 Cb 0.00 -0.12 0.00 0.00 -3.00 0.00 0.00 29.16 26.04 2wa2 h TRP 122 CO 0.00 0.04 0.00 0.27 -1.28 0.00 0.00 178.44 177.47 2wa2 n ASN 123 N -4.46 0.67 -0.02 0.11 6.94 -1.26 -1.84 115.26 115.41 2wa2 n ASN 123 Ca 0.24 0.69 0.15 0.00 -0.02 0.00 0.00 54.58 55.64 2wa2 n ASN 123 Cb 0.96 -0.82 0.83 0.00 -2.36 0.00 0.00 39.78 38.39 2wa2 n ASN 123 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 2wa2 n LEU 124 N -2.27 0.06 -4.71 -4.53 4.77 0.19 -4.84 117.00 105.67 2wa2 n LEU 124 Ca 0.01 0.12 -0.35 0.00 -0.03 0.00 0.00 56.01 55.77 2wa2 n LEU 124 Cb 0.19 -0.15 -0.08 0.00 -2.33 0.00 0.00 43.42 41.05 2wa2 n LEU 124 CO 0.18 0.01 -0.20 -0.63 -1.33 0.00 0.00 177.39 175.42 2wa2 s ILE 125 N -2.30 5.22 -0.27 -0.08 1.01 -0.77 -1.01 121.20 123.00 2wa2 s ILE 125 Ca 0.37 0.12 -0.06 0.00 0.00 0.00 0.00 60.65 61.08 2wa2 s ILE 125 Cb 0.21 -3.36 -0.00 0.00 0.01 0.00 0.00 42.46 39.31 2wa2 s ILE 125 CO 0.42 0.46 0.06 -0.89 0.00 0.00 0.00 174.94 174.99 2wa2 s THR 126 N 0.25 3.94 -0.05 2.92 2.01 -0.01 -4.98 115.64 119.74 2wa2 s THR 126 Ca 0.07 -0.56 -0.16 0.00 0.31 0.00 0.00 61.69 61.35 2wa2 s THR 126 Cb -0.11 -2.96 -0.05 0.00 0.01 0.00 0.00 72.50 69.38 2wa2 s THR 126 CO -0.01 0.18 0.44 -0.36 -0.69 0.00 0.00 174.62 174.18 2wa2 s PHE 127 N 1.52 3.64 -0.10 4.92 0.08 -1.26 -1.02 117.98 125.76 2wa2 s PHE 127 Ca 0.04 0.95 -0.01 0.00 0.12 0.00 0.00 56.93 58.03 2wa2 s PHE 127 Cb -0.16 -2.41 0.03 0.00 -0.57 0.00 0.00 43.02 39.91 2wa2 s PHE 127 CO 0.02 0.44 -0.05 0.21 -0.10 0.00 0.00 175.22 175.74 2wa2 s LYS 128 N -0.34 1.17 0.53 0.44 2.20 0.07 -4.97 119.74 118.85 2wa2 s LYS 128 Ca 0.24 -0.12 0.06 0.00 -0.36 0.00 0.00 55.97 55.79 2wa2 s LYS 128 Cb -0.16 -1.34 0.05 0.00 -1.51 0.00 0.00 37.83 34.87 2wa2 s LYS 128 CO 0.12 -0.27 0.74 -1.12 -0.36 0.00 0.00 175.35 174.45 2wa2 s SER 129 N 1.78 5.23 -1.51 1.43 0.01 -1.26 -1.87 113.70 117.52 2wa2 s SER 129 Ca 0.04 -0.44 -0.06 0.00 1.31 0.00 0.00 55.95 56.81 2wa2 s SER 129 Cb -0.12 -0.35 0.02 0.00 0.21 0.00 0.00 66.02 65.77 2wa2 s SER 129 CO -0.07 -1.16 0.64 0.29 0.41 0.00 0.00 173.24 173.35 2wa2 n LYS 130 N -2.21 -4.94 -4.07 12.44 4.76 0.12 -4.89 118.16 119.38 2wa2 n LYS 130 Ca 0.11 0.83 -0.34 0.00 -2.87 0.00 0.00 58.31 56.04 2wa2 n LYS 130 Cb 0.60 -5.69 -0.14 0.00 -1.84 0.00 0.00 35.03 27.96 2wa2 n LYS 130 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2wa2 s VAL 131 N -3.16 3.20 -0.49 -0.18 1.01 -0.97 -4.98 120.40 114.84 2wa2 s VAL 131 Ca 0.35 -0.56 -0.23 0.00 0.00 0.00 0.00 61.98 61.54 2wa2 s VAL 131 Cb -0.16 -2.43 0.04 0.00 0.00 0.00 0.00 36.38 33.83 2wa2 s VAL 131 CO 0.43 0.45 0.80 -0.62 0.00 0.00 0.00 175.10 176.16 2wa2 s ASP 132 N 1.26 6.35 0.48 3.32 -1.08 -1.26 -3.22 116.67 122.53 2wa2 s ASP 132 Ca 0.03 -0.33 0.32 0.00 -0.52 0.00 0.00 52.55 52.05 2wa2 s ASP 132 Cb -0.14 -2.38 1.41 0.00 -1.46 0.00 0.00 42.92 40.34 2wa2 s ASP 132 CO -0.03 -1.00 1.95 -0.37 0.52 0.00 0.00 175.17 176.24 2wa2 h VAL 133 N 5.97 0.00 0.00 1.11 -1.51 -1.94 -0.77 116.25 119.11 2wa2 h VAL 133 Ca -0.26 -0.34 0.00 0.00 -1.23 0.00 0.00 66.70 64.87 2wa2 h VAL 133 Cb 1.08 1.24 0.00 0.00 -2.13 0.00 0.00 31.29 31.49 2wa2 h VAL 133 CO 1.00 0.00 0.00 0.71 -1.23 0.00 0.00 177.57 178.05 2wa2 h THR 134 N 0.00 0.00 -0.02 7.19 1.35 -1.96 -2.81 112.91 116.66 2wa2 h THR 134 Ca 0.00 -0.36 0.00 0.00 -0.55 0.00 0.00 66.41 65.50 2wa2 h THR 134 Cb 0.38 1.29 0.00 0.00 -1.73 0.00 0.00 68.15 68.09 2wa2 h THR 134 CO 0.00 0.00 -0.14 0.29 -0.25 0.00 0.00 175.52 175.42 2wa2 n LYS 135 N -2.89 1.61 -3.24 4.72 5.02 -0.31 -4.97 118.16 118.10 2wa2 n LYS 135 Ca 0.00 -1.35 -0.39 0.00 -2.02 0.00 0.00 58.31 54.55 2wa2 n LYS 135 Cb 0.25 -1.35 -0.06 0.00 -0.02 0.00 0.00 35.03 33.84 2wa2 n LYS 135 CO 0.00 0.00 0.00 1.41 -0.52 0.00 0.00 177.40 178.29 2wa2 s MET 136 N -1.76 4.25 0.24 1.97 1.75 -1.06 -5.07 119.30 119.63 2wa2 s MET 136 Ca 0.19 0.76 -0.10 0.00 -1.25 0.00 0.00 55.69 55.29 2wa2 s MET 136 Cb 0.15 -3.27 -0.07 0.00 2.84 0.00 0.00 34.83 34.48 2wa2 s MET 136 CO 0.32 0.55 0.57 -1.21 -0.65 0.00 0.00 175.02 174.59 2wa2 s GLU 137 N -0.83 3.80 0.83 4.11 0.41 -1.26 -4.99 118.70 120.77 2wa2 s GLU 137 Ca 0.30 0.28 -0.11 0.00 -0.41 0.00 0.00 54.97 55.03 2wa2 s GLU 137 Cb -0.19 -2.63 0.10 0.00 -1.78 0.00 0.00 34.13 29.63 2wa2 s GLU 137 CO 0.19 0.29 1.15 -1.25 -0.49 0.00 0.00 175.26 175.15 2wa2 s PRO 138 N -2.90 1.63 0.26 0.39 0.04 -1.26 -5.06 135.00 128.09 2wa2 s PRO 138 Ca 0.48 1.51 0.03 0.00 0.04 0.00 0.00 61.00 63.05 2wa2 s PRO 138 Cb -0.11 -1.80 -0.01 0.00 0.04 0.00 0.00 34.50 32.62 2wa2 s PRO 138 CO 0.22 -2.17 0.28 1.97 0.04 0.00 0.00 177.00 177.34 2wa2 n PHE 139 N -3.65 -0.86 -2.11 0.56 1.16 -1.26 -5.08 117.46 106.21 2wa2 n PHE 139 Ca 0.12 -2.03 -0.42 0.00 -1.87 0.00 0.00 57.45 53.25 2wa2 n PHE 139 Cb 0.52 0.31 -0.03 0.00 -1.61 0.00 0.00 39.48 38.67 2wa2 n PHE 139 CO 0.00 0.00 0.00 -1.14 -1.87 0.00 0.00 176.76 173.75 2wa2 s GLN 140 N -2.87 4.26 -0.13 3.97 0.74 -1.26 -4.87 119.66 119.49 2wa2 s GLN 140 Ca 0.27 2.11 -0.12 0.00 0.05 0.00 0.00 55.36 57.67 2wa2 s GLN 140 Cb 0.01 -3.53 0.04 0.00 1.10 0.00 0.00 33.01 30.62 2wa2 s GLN 140 CO 0.19 -0.61 0.35 0.00 -0.55 0.00 0.00 175.29 174.67 2wa2 s ALA 141 N 2.29 -0.86 -0.12 1.58 0.00 -1.26 -4.99 121.76 118.39 2wa2 s ALA 141 Ca 0.67 1.01 0.15 0.00 0.00 0.00 0.00 51.96 53.80 2wa2 s ALA 141 Cb -0.35 -0.59 -0.05 0.00 0.00 0.00 0.00 23.12 22.13 2wa2 s ALA 141 CO 0.29 -0.17 1.13 -0.44 0.00 0.00 0.00 175.76 176.57 2wa2 h ASP 142 N 5.70 0.00 -3.49 0.00 3.32 -1.08 -3.46 116.42 117.42 2wa2 h ASP 142 Ca -0.27 0.00 -0.36 0.00 0.02 0.00 0.00 57.03 56.42 2wa2 h ASP 142 Cb 1.18 0.00 -0.34 0.00 0.22 0.00 0.00 39.33 40.40 2wa2 h ASP 142 CO 0.29 0.56 -0.75 -0.89 -1.72 0.00 0.00 179.24 176.73 2wa2 s THR 143 N -2.93 0.24 -0.27 0.35 2.01 -0.82 -1.46 115.64 112.77 2wa2 s THR 143 Ca 0.00 0.05 -0.03 0.00 0.31 0.00 0.00 61.69 62.02 2wa2 s THR 143 Cb 0.08 -0.33 0.03 0.00 0.01 0.00 0.00 72.50 72.29 2wa2 s THR 143 CO 0.78 0.16 -0.02 -0.69 -0.69 0.00 0.00 174.62 174.16 2wa2 s VAL 144 N 1.00 3.14 -0.05 3.82 1.01 0.25 -1.23 120.40 128.34 2wa2 s VAL 144 Ca -0.10 -1.00 0.01 0.00 0.00 0.00 0.00 61.98 60.89 2wa2 s VAL 144 Cb -0.14 -2.63 -0.03 0.00 0.00 0.00 0.00 36.38 33.58 2wa2 s VAL 144 CO -0.01 0.13 -0.06 -0.76 0.00 0.00 0.00 175.10 174.39 2wa2 s LEU 145 N 1.35 3.20 -0.19 3.92 1.43 0.49 -1.61 118.68 127.27 2wa2 s LEU 145 Ca -0.00 -0.04 -0.07 0.00 -1.03 0.00 0.00 54.13 52.99 2wa2 s LEU 145 Cb -0.17 -1.73 0.08 0.00 0.03 0.00 0.00 46.19 44.40 2wa2 s LEU 145 CO -0.02 0.35 0.41 0.00 0.23 0.00 0.00 176.35 177.31 2wa2 n ASP 147 N 5.18 4.22 -4.78 0.00 2.03 -1.15 0.29 116.55 122.34 2wa2 n ASP 147 Ca -0.11 -3.39 -0.39 0.00 0.52 0.00 0.00 54.79 51.41 2wa2 n ASP 147 Cb 0.51 -0.37 -0.06 0.00 -0.72 0.00 0.00 41.12 40.48 2wa2 n ASP 147 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2wa2 s ILE 148 N -4.45 4.68 0.00 5.18 1.01 -1.26 -4.92 121.20 121.44 2wa2 s ILE 148 Ca 0.46 1.44 0.00 0.00 0.00 0.00 0.00 60.65 62.55 2wa2 s ILE 148 Cb 0.39 -4.02 0.00 0.00 0.01 0.00 0.00 42.46 38.84 2wa2 s ILE 148 CO 0.02 0.47 0.00 0.61 0.00 0.00 0.00 174.94 176.04 2wa2 n GLY 149 N 2.01 2.12 3.71 6.18 0.00 -1.26 -4.72 105.19 113.23 2wa2 n GLY 149 Ca -0.07 0.01 -0.38 0.00 0.00 0.00 0.00 46.02 45.59 2wa2 n GLY 149 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2wa2 s GLU 150 N -0.29 4.28 0.40 1.61 2.12 -1.26 -4.96 118.70 120.59 2wa2 s GLU 150 Ca 0.00 0.32 -0.25 0.00 0.36 0.00 0.00 54.97 55.39 2wa2 s GLU 150 Cb 0.00 -3.46 -0.11 0.00 0.26 0.00 0.00 34.13 30.82 2wa2 s GLU 150 CO 0.00 0.11 1.17 0.43 -0.54 0.00 0.00 175.26 176.43 2wa2 n SER 151 N 3.90 2.04 -3.86 -1.70 7.64 -1.26 -4.91 113.62 115.48 2wa2 n SER 151 Ca -0.08 1.10 -0.12 0.00 1.01 0.00 0.00 58.87 60.78 2wa2 n SER 151 Cb 0.51 -1.43 -0.12 0.00 -1.01 0.00 0.00 64.21 62.16 2wa2 n SER 151 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 2wa2 s ASN 152 N -0.58 -0.05 0.60 6.43 3.84 -1.26 -5.04 114.94 118.88 2wa2 s ASN 152 Ca 0.61 0.07 0.32 0.00 0.21 0.00 0.00 52.86 54.07 2wa2 s ASN 152 Cb -0.54 0.20 1.92 0.00 -0.55 0.00 0.00 41.25 42.28 2wa2 s ASN 152 CO 0.58 -0.12 2.27 -0.65 -2.79 0.00 0.00 177.10 176.39 2wa2 h PRO 153 N 5.54 0.00 -5.32 0.43 0.11 -2.01 -3.39 132.00 127.35 2wa2 h PRO 153 Ca -0.27 0.00 -0.66 0.00 0.11 0.00 0.00 66.00 65.18 2wa2 h PRO 153 Cb 1.20 0.00 -0.16 0.00 0.11 0.00 0.00 31.00 32.15 2wa2 h PRO 153 CO 0.43 0.00 0.13 0.99 -0.21 0.00 0.00 178.00 179.35 2wa2 s THR 154 N -4.54 4.81 0.45 -1.15 2.01 -1.26 -4.94 115.64 111.02 2wa2 s THR 154 Ca -0.05 -0.04 0.15 0.00 0.31 0.00 0.00 61.69 62.06 2wa2 s THR 154 Cb 0.15 -4.25 0.34 0.00 0.01 0.00 0.00 72.50 68.74 2wa2 s THR 154 CO 0.53 -0.69 1.98 0.00 -0.69 0.00 0.00 174.62 175.75 2wa2 h ALA 155 N 8.94 2.08 -0.43 7.40 0.00 -2.00 -1.07 119.26 134.19 2wa2 h ALA 155 Ca -0.26 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.59 2wa2 h ALA 155 Cb 1.09 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 2wa2 h ALA 155 CO 0.92 -0.22 0.04 0.00 0.00 0.00 0.00 179.25 180.00 2wa2 h ALA 156 N 1.71 1.27 -0.13 0.00 0.00 -1.94 0.47 119.26 120.63 2wa2 h ALA 156 Ca 0.27 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 2wa2 h ALA 156 Cb 0.61 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 2wa2 h ALA 156 CO -0.07 0.50 0.03 0.28 0.00 0.00 0.00 179.25 179.99 2wa2 h VAL 157 N 0.64 1.20 -0.84 0.00 2.07 -1.60 -2.22 116.25 115.50 2wa2 h VAL 157 Ca 0.14 -0.63 -0.03 0.00 0.82 0.00 0.00 66.70 67.00 2wa2 h VAL 157 Cb 0.34 1.36 -0.04 0.00 -1.52 0.00 0.00 31.29 31.43 2wa2 h VAL 157 CO 0.01 0.19 0.41 -0.33 0.02 0.00 0.00 177.57 177.86 2wa2 h GLU 158 N 0.02 1.20 -0.29 1.57 5.08 -1.07 -1.82 114.58 119.27 2wa2 h GLU 158 Ca 0.04 -0.17 0.03 0.00 -1.00 0.00 0.00 59.36 58.26 2wa2 h GLU 158 Cb 0.26 -0.22 -0.03 0.00 0.50 0.00 0.00 28.75 29.26 2wa2 h GLU 158 CO 0.00 0.92 0.09 0.00 -1.00 0.00 0.00 179.01 179.02 2wa2 h ALA 159 N 1.25 0.32 -0.48 3.43 0.00 -0.86 -0.69 119.26 122.22 2wa2 h ALA 159 Ca 0.29 0.04 -0.07 0.00 0.00 0.00 0.00 54.91 55.17 2wa2 h ALA 159 Cb 0.11 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 2wa2 h ALA 159 CO -0.04 -0.32 0.04 0.66 0.00 0.00 0.00 179.25 179.59 2wa2 h SER 160 N 0.21 0.80 -0.73 0.00 4.64 -1.11 -0.74 113.55 116.61 2wa2 h SER 160 Ca 0.13 -0.29 0.07 0.00 -0.47 0.00 0.00 61.79 61.23 2wa2 h SER 160 Cb 0.11 -0.21 -0.06 0.00 -0.31 0.00 0.00 62.40 61.93 2wa2 h SER 160 CO -0.15 0.89 0.41 0.03 -0.87 0.00 0.00 176.83 177.14 2wa2 h ARG 161 N 0.69 0.71 -0.35 4.77 3.08 -1.25 -0.55 114.38 121.48 2wa2 h ARG 161 Ca 0.14 -0.04 -0.04 0.00 0.07 0.00 0.00 59.98 60.11 2wa2 h ARG 161 Cb 0.45 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.33 2wa2 h ARG 161 CO 0.02 0.47 0.05 1.15 -1.07 0.00 0.00 179.97 180.59 2wa2 h THR 162 N 0.74 1.24 -0.75 2.04 2.02 -0.77 -2.17 112.91 115.26 2wa2 h THR 162 Ca 0.33 -0.84 -0.02 0.00 0.77 0.00 0.00 66.41 66.65 2wa2 h THR 162 Cb 0.23 1.12 -0.04 0.00 -1.74 0.00 0.00 68.15 67.73 2wa2 h THR 162 CO -0.20 0.28 0.40 -0.07 0.37 0.00 0.00 175.52 176.30 2wa2 h LEU 163 N 0.41 0.94 -0.10 2.58 3.38 -0.93 -0.68 115.31 120.91 2wa2 h LEU 163 Ca 0.10 -0.10 0.02 0.00 0.09 0.00 0.00 57.88 57.99 2wa2 h LEU 163 Cb 0.36 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 2wa2 h LEU 163 CO 0.01 0.78 -0.03 0.74 0.09 0.00 0.00 178.44 180.02 2wa2 h THR 164 N 1.04 0.88 -0.30 0.22 2.02 -0.98 -1.01 112.91 114.78 2wa2 h THR 164 Ca 0.26 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.49 2wa2 h THR 164 Cb 0.05 0.88 -0.05 0.00 -1.74 0.00 0.00 68.15 67.29 2wa2 h THR 164 CO -0.04 0.00 -0.00 0.58 0.37 0.00 0.00 175.52 176.43 2wa2 h VAL 165 N -0.01 0.78 -0.69 3.16 2.07 -1.04 -2.14 116.25 118.39 2wa2 h VAL 165 Ca 0.05 -0.03 -0.03 0.00 0.82 0.00 0.00 66.70 67.51 2wa2 h VAL 165 Cb 0.09 0.69 -0.03 0.00 -1.52 0.00 0.00 31.29 30.52 2wa2 h VAL 165 CO -0.11 0.02 0.29 -0.07 0.02 0.00 0.00 177.57 177.71 2wa2 h LEU 166 N 0.08 0.91 -0.27 2.57 3.38 -0.79 0.12 115.31 121.32 2wa2 h LEU 166 Ca 0.14 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 2wa2 h LEU 166 Cb 0.19 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 2wa2 h LEU 166 CO -0.24 0.80 0.10 0.78 0.09 0.00 0.00 178.44 179.97 2wa2 h ASN 167 N 0.98 0.37 -0.04 -0.43 2.35 -0.96 0.21 115.58 118.06 2wa2 h ASN 167 Ca 0.23 -0.17 0.02 0.00 -0.55 0.00 0.00 56.30 55.83 2wa2 h ASN 167 Cb 0.16 -0.10 -0.02 0.00 0.05 0.00 0.00 38.32 38.41 2wa2 h ASN 167 CO -0.02 0.44 -0.07 0.58 -1.65 0.00 0.00 177.43 176.71 2wa2 h VAL 168 N 0.28 0.82 -0.90 2.81 2.07 -1.05 -3.04 116.25 117.24 2wa2 h VAL 168 Ca 0.09 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.61 2wa2 h VAL 168 Cb 0.18 0.82 -0.04 0.00 -1.52 0.00 0.00 31.29 30.73 2wa2 h VAL 168 CO -0.01 0.00 0.58 0.40 0.02 0.00 0.00 177.57 178.56 2wa2 h ILE 169 N -0.10 1.24 -1.00 4.57 1.08 -0.60 -1.86 117.51 120.84 2wa2 h ILE 169 Ca 0.04 -0.46 0.21 0.00 -0.39 0.00 0.00 64.86 64.26 2wa2 h ILE 169 Cb 0.15 -0.07 -0.11 0.00 -3.07 0.00 0.00 36.82 33.72 2wa2 h ILE 169 CO -0.10 0.24 0.61 0.28 -0.69 0.00 0.00 178.15 178.49 2wa2 h SER 170 N 1.23 0.75 -0.43 1.72 0.02 -0.83 0.26 113.55 116.26 2wa2 h SER 170 Ca 0.33 0.11 -0.12 0.00 -0.84 0.00 0.00 61.79 61.27 2wa2 h SER 170 Cb -0.11 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 62.40 2wa2 h SER 170 CO -0.07 0.22 -0.20 0.03 -1.14 0.00 0.00 176.83 175.68 2wa2 h ARG 171 N 0.70 0.89 -0.68 3.45 3.08 -1.33 -0.53 114.38 119.97 2wa2 h ARG 171 Ca 0.60 -0.38 -0.03 0.00 0.07 0.00 0.00 59.98 60.24 2wa2 h ARG 171 Cb 1.01 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 31.00 2wa2 h ARG 171 CO -0.41 1.03 0.31 -1.49 -1.07 0.00 0.00 179.97 178.34 2wa2 h TRP 172 N 0.72 1.00 -0.18 3.04 4.06 -1.18 -0.54 115.95 122.87 2wa2 h TRP 172 Ca 0.10 -0.06 -0.18 0.00 2.06 0.00 0.00 58.89 60.81 2wa2 h TRP 172 Cb 0.76 -0.31 -0.00 0.00 -1.00 0.00 0.00 29.16 28.61 2wa2 h TRP 172 CO 0.06 0.76 -0.63 -0.07 -3.56 0.00 0.00 178.44 175.00 2wa2 h LEU 173 N 0.95 0.74 -0.25 -4.49 3.38 -0.81 -1.56 115.31 113.27 2wa2 h LEU 173 Ca 0.23 -0.43 -0.03 0.00 0.09 0.00 0.00 57.88 57.75 2wa2 h LEU 173 Cb 0.15 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 2wa2 h LEU 173 CO -0.03 1.18 0.05 -0.08 0.09 0.00 0.00 178.44 179.66 2wa2 h GLU 174 N 0.48 0.41 -0.81 1.13 4.57 -0.93 -3.23 114.58 116.19 2wa2 h GLU 174 Ca -0.01 -0.10 -0.04 0.00 -1.18 0.00 0.00 59.36 58.03 2wa2 h GLU 174 Cb 1.21 -0.05 -0.04 0.00 -0.16 0.00 0.00 28.75 29.71 2wa2 h GLU 174 CO 0.12 0.52 0.36 -0.92 -1.18 0.00 0.00 179.01 177.91 2wa2 h TYR 175 N 0.23 1.19 -3.10 0.92 3.20 -1.02 -3.35 116.97 115.04 2wa2 h TYR 175 Ca 0.08 -0.07 -0.74 0.00 3.14 0.00 0.00 58.73 61.14 2wa2 h TYR 175 Cb 0.30 -0.36 -0.33 0.00 1.54 0.00 0.00 36.73 37.88 2wa2 h TYR 175 CO 0.02 0.88 0.18 0.09 -1.64 0.00 0.00 178.16 177.68 2wa2 n ASN 176 N -4.29 4.99 -4.68 -2.11 3.02 -0.60 -5.02 115.26 106.58 2wa2 n ASN 176 Ca 0.08 -3.23 -0.45 0.00 -0.03 0.00 0.00 54.58 50.94 2wa2 n ASN 176 Cb 0.16 -1.12 -0.04 0.00 -0.61 0.00 0.00 39.78 38.17 2wa2 n ASN 176 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2wa2 n GLN 177 N 1.91 2.23 -0.94 3.52 6.02 -1.25 -1.80 117.38 127.07 2wa2 n GLN 177 Ca 0.24 0.80 0.00 0.00 -0.01 0.00 0.00 57.00 58.04 2wa2 n GLN 177 Cb 0.37 -2.58 0.00 0.00 1.02 0.00 0.00 30.24 29.05 2wa2 n GLN 177 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2wa2 n GLY 178 N 3.47 0.61 3.74 1.08 0.00 -1.26 -5.01 105.19 107.82 2wa2 n GLY 178 Ca 0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.85 2wa2 n GLY 178 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wa2 s GLY 180 N -2.33 2.20 0.07 0.00 0.00 -0.53 -4.93 107.32 101.80 2wa2 s GLY 180 Ca 0.71 0.39 -0.18 0.00 0.00 0.00 0.00 44.72 45.63 2wa2 s GLY 180 CO 0.46 0.70 0.43 -0.11 0.00 0.00 0.00 173.10 174.57 2wa2 s PHE 181 N -2.38 -0.28 -0.28 1.90 -0.12 -1.26 -0.58 117.98 114.97 2wa2 s PHE 181 Ca 0.63 0.18 -0.02 0.00 -0.05 0.00 0.00 56.93 57.67 2wa2 s PHE 181 Cb -0.14 0.26 0.17 0.00 -0.63 0.00 0.00 43.02 42.67 2wa2 s PHE 181 CO 0.31 -0.62 0.53 0.00 -0.05 0.00 0.00 175.22 175.39 2wa2 s VAL 183 N 2.76 0.72 0.27 0.00 1.01 -0.03 -1.44 120.40 123.69 2wa2 s VAL 183 Ca 0.17 -0.16 -0.30 0.00 0.00 0.00 0.00 61.98 61.69 2wa2 s VAL 183 Cb -0.15 -0.76 -0.10 0.00 0.00 0.00 0.00 36.38 35.36 2wa2 s VAL 183 CO -0.19 0.30 1.47 -0.75 0.00 0.00 0.00 175.10 175.92 2wa2 s LYS 184 N 1.39 4.23 -0.38 2.72 2.20 0.14 -0.51 119.74 129.53 2wa2 s LYS 184 Ca -0.03 2.37 0.04 0.00 -0.36 0.00 0.00 55.97 57.98 2wa2 s LYS 184 Cb -0.13 -3.08 0.11 0.00 -1.51 0.00 0.00 37.83 33.21 2wa2 s LYS 184 CO -0.03 -0.46 0.11 0.08 -0.36 0.00 0.00 175.35 174.69 2wa2 s VAL 185 N -0.10 2.42 0.05 4.02 1.01 0.14 -4.79 120.40 123.14 2wa2 s VAL 185 Ca 0.59 -2.54 -0.23 0.00 0.00 0.00 0.00 61.98 59.80 2wa2 s VAL 185 Cb -0.43 -2.75 -0.15 0.00 0.00 0.00 0.00 36.38 33.05 2wa2 s VAL 185 CO 0.45 -0.65 1.52 0.25 0.00 0.00 0.00 175.10 176.68 2wa2 h LEU 186 N 7.40 0.12 -7.62 3.92 5.85 -1.84 -1.89 115.31 121.25 2wa2 h LEU 186 Ca -0.05 -0.25 -0.67 0.00 0.84 0.00 0.00 57.88 57.76 2wa2 h LEU 186 Cb 0.99 -0.03 -0.39 0.00 0.37 0.00 0.00 40.66 41.60 2wa2 h LEU 186 CO 0.57 0.34 -0.62 0.21 -0.34 0.00 0.00 178.44 178.59 2wa2 s ASN 187 N -5.56 4.79 0.00 1.25 3.84 -1.26 -3.23 114.94 114.77 2wa2 s ASN 187 Ca -0.14 -2.45 0.26 0.00 0.21 0.00 0.00 52.86 50.73 2wa2 s ASN 187 Cb 0.05 -1.70 0.66 0.00 -0.55 0.00 0.00 41.25 39.72 2wa2 s ASN 187 CO 0.69 -0.37 1.51 -0.81 -2.79 0.00 0.00 177.10 175.33 2wa2 n PRO 188 N 3.91 0.89 0.04 0.43 -0.04 -1.26 -4.19 135.00 134.78 2wa2 n PRO 188 Ca 0.04 -0.56 0.11 0.00 -0.04 0.00 0.00 63.50 63.05 2wa2 n PRO 188 Cb 0.39 -1.49 -0.01 0.00 -0.04 0.00 0.00 33.50 32.35 2wa2 n PRO 188 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 2wa2 n TYR 189 N -0.56 0.37 -1.69 0.54 0.18 -1.26 -4.37 117.16 110.37 2wa2 n TYR 189 Ca 0.12 0.11 -0.44 0.00 1.88 0.00 0.00 57.90 59.56 2wa2 n TYR 189 Cb 0.36 -0.55 -0.04 0.00 -0.38 0.00 0.00 39.34 38.74 2wa2 n TYR 189 CO 0.00 0.00 0.00 0.45 -2.08 0.00 0.00 176.86 175.23 2wa2 n SER 190 N -2.14 3.45 -0.25 9.48 2.88 -1.26 -4.83 113.62 120.95 2wa2 n SER 190 Ca 0.01 1.08 0.05 0.00 -1.33 0.00 0.00 58.87 58.67 2wa2 n SER 190 Cb 0.48 -1.49 0.18 0.00 -0.75 0.00 0.00 64.21 62.62 2wa2 n SER 190 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2wa2 h ASP 192 N 0.41 0.99 -0.24 0.00 3.32 -1.99 -1.51 116.42 117.41 2wa2 h ASP 192 Ca 0.40 -0.23 -0.03 0.00 0.02 0.00 0.00 57.03 57.19 2wa2 h ASP 192 Cb 0.61 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.89 2wa2 h ASP 192 CO -0.41 0.98 0.02 0.58 -1.72 0.00 0.00 179.24 178.70 2wa2 h VAL 193 N 0.98 1.24 -0.87 -1.35 2.07 -1.63 -1.74 116.25 114.95 2wa2 h VAL 193 Ca 0.20 -0.82 0.06 0.00 0.82 0.00 0.00 66.70 66.96 2wa2 h VAL 193 Cb 0.41 1.32 -0.06 0.00 -1.52 0.00 0.00 31.29 31.45 2wa2 h VAL 193 CO 0.01 0.26 0.57 -0.07 0.02 0.00 0.00 177.57 178.35 2wa2 h LEU 194 N 0.19 0.87 -0.08 2.57 3.38 -0.72 -0.07 115.31 121.44 2wa2 h LEU 194 Ca 0.07 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 2wa2 h LEU 194 Cb 0.36 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 2wa2 h LEU 194 CO 0.01 0.56 0.02 -0.08 0.09 0.00 0.00 178.44 179.04 2wa2 h GLU 195 N 0.99 0.14 -0.42 1.13 4.81 -1.12 -1.28 114.58 118.82 2wa2 h GLU 195 Ca 0.37 -0.03 0.05 0.00 -0.13 0.00 0.00 59.36 59.62 2wa2 h GLU 195 Cb 0.19 -0.02 -0.05 0.00 0.63 0.00 0.00 28.75 29.50 2wa2 h GLU 195 CO -0.13 0.34 0.14 0.00 -0.73 0.00 0.00 179.01 178.62 2wa2 h ALA 196 N 0.80 0.49 -0.76 2.92 0.00 -0.76 -2.25 119.26 119.70 2wa2 h ALA 196 Ca 0.03 0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 2wa2 h ALA 196 Cb 0.26 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 2wa2 h ALA 196 CO 0.00 -0.26 0.25 -0.07 0.00 0.00 0.00 179.25 179.17 2wa2 h LEU 197 N 0.29 1.09 -0.65 0.00 3.38 -0.98 -1.14 115.31 117.31 2wa2 h LEU 197 Ca 0.20 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2wa2 h LEU 197 Cb 0.19 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 2wa2 h LEU 197 CO -0.21 1.00 0.42 0.24 0.09 0.00 0.00 178.44 179.98 2wa2 h MET 198 N 1.12 0.87 -0.31 1.13 2.86 -0.99 0.19 114.93 119.80 2wa2 h MET 198 Ca 0.25 -0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 57.82 2wa2 h MET 198 Cb 0.29 -0.19 -0.01 0.00 0.06 0.00 0.00 31.60 31.74 2wa2 h MET 198 CO -0.01 0.59 0.17 0.87 1.06 0.00 0.00 176.91 179.59 2wa2 h LYS 199 N 0.89 0.44 -0.71 1.72 1.57 -1.14 -1.61 116.57 117.72 2wa2 h LYS 199 Ca 0.24 -0.05 -0.05 0.00 -1.87 0.00 0.00 60.65 58.91 2wa2 h LYS 199 Cb -0.08 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.11 2wa2 h LYS 199 CO -0.05 0.38 0.23 0.52 -0.57 0.00 0.00 179.45 179.96 2wa2 h MET 200 N 0.39 1.10 -0.60 3.15 2.86 -1.03 -2.00 114.93 118.80 2wa2 h MET 200 Ca 0.11 -0.23 -0.06 0.00 -2.06 0.00 0.00 59.70 57.45 2wa2 h MET 200 Cb 0.07 -0.16 -0.03 0.00 0.06 0.00 0.00 31.60 31.54 2wa2 h MET 200 CO -0.02 0.94 0.12 0.37 1.06 0.00 0.00 176.91 179.38 2wa2 h GLN 201 N 1.04 0.94 -0.80 1.72 4.15 -0.84 0.24 115.11 121.57 2wa2 h GLN 201 Ca 0.23 -0.22 0.01 0.00 0.77 0.00 0.00 58.65 59.44 2wa2 h GLN 201 Cb 0.29 -0.13 -0.04 0.00 0.21 0.00 0.00 27.48 27.82 2wa2 h GLN 201 CO -0.01 0.86 0.53 0.00 -1.93 0.00 0.00 178.83 178.28 2wa2 h ALA 202 N 1.23 1.01 0.14 3.38 0.00 -1.03 0.29 119.26 124.28 2wa2 h ALA 202 Ca 0.19 -0.05 -0.30 0.00 0.00 0.00 0.00 54.91 54.75 2wa2 h ALA 202 Cb 0.36 -0.32 0.03 0.00 0.00 0.00 0.00 17.79 17.86 2wa2 h ALA 202 CO 0.00 0.41 -1.25 0.00 0.00 0.00 0.00 179.25 178.42 2wa2 h ARG 203 N 1.07 0.60 0.00 0.00 3.08 -0.99 -3.40 114.38 114.74 2wa2 h ARG 203 Ca 0.29 -0.84 0.00 0.00 0.07 0.00 0.00 59.98 59.51 2wa2 h ARG 203 Cb -0.11 0.28 0.00 0.00 0.08 0.00 0.00 29.97 30.22 2wa2 h ARG 203 CO -0.07 1.38 -0.13 1.19 -1.07 0.00 0.00 179.97 181.28 2wa2 n PHE 204 N -3.81 0.00 -3.38 3.04 3.72 0.79 -5.10 117.46 112.73 2wa2 n PHE 204 Ca -0.14 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.26 2wa2 n PHE 204 Cb 0.99 -0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.53 2wa2 n PHE 204 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2wa2 n GLY 205 N 1.08 -0.83 7.00 1.37 0.00 0.10 -5.00 105.19 108.91 2wa2 n GLY 205 Ca 0.00 -1.30 0.00 0.00 0.00 0.00 0.00 46.02 44.72 2wa2 n GLY 205 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wa2 n GLY 206 N 0.00 -1.18 3.88 -0.02 0.00 -1.26 -4.37 105.19 102.24 2wa2 n GLY 206 Ca 0.00 -1.25 -0.02 0.00 0.00 0.00 0.00 46.02 44.75 2wa2 n GLY 206 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2wa2 s GLY 207 N -0.47 0.04 -0.14 -0.02 0.00 -0.37 -3.78 107.32 102.59 2wa2 s GLY 207 Ca 0.00 -0.23 -0.00 0.00 0.00 0.00 0.00 44.72 44.49 2wa2 s GLY 207 CO 0.00 2.54 -0.10 -2.27 0.00 0.00 0.00 173.10 173.27 2wa2 s LEU 208 N -3.40 1.52 0.19 0.66 2.96 -1.26 -1.03 118.68 118.32 2wa2 s LEU 208 Ca 0.22 -0.46 0.10 0.00 -0.22 0.00 0.00 54.13 53.77 2wa2 s LEU 208 Cb -0.02 -1.02 -0.04 0.00 0.50 0.00 0.00 46.19 45.60 2wa2 s LEU 208 CO 0.04 -0.10 -0.21 0.27 -1.32 0.00 0.00 176.35 175.03 2wa2 s ILE 209 N 1.58 2.15 -0.20 6.68 -4.36 0.09 -4.88 121.20 122.27 2wa2 s ILE 209 Ca 0.04 -2.04 -0.07 0.00 -0.26 0.00 0.00 60.65 58.32 2wa2 s ILE 209 Cb -0.13 -2.03 -0.04 0.00 1.25 0.00 0.00 42.46 41.51 2wa2 s ILE 209 CO -0.09 -0.24 0.07 -0.60 0.24 0.00 0.00 174.94 174.31 2wa2 s ARG 210 N -2.84 3.88 -0.22 0.37 6.06 -1.26 -0.52 118.95 124.42 2wa2 s ARG 210 Ca 0.20 -0.38 -0.19 0.00 -2.50 0.00 0.00 55.73 52.85 2wa2 s ARG 210 Cb -0.07 -3.25 -0.03 0.00 0.06 0.00 0.00 34.95 31.67 2wa2 s ARG 210 CO 0.09 0.14 0.57 0.08 -2.50 0.00 0.00 175.30 173.67 2wa2 s VAL 211 N 0.74 5.06 -1.34 7.11 1.01 -1.26 -4.95 120.40 126.76 2wa2 s VAL 211 Ca 0.03 1.03 0.14 0.00 0.00 0.00 0.00 61.98 63.19 2wa2 s VAL 211 Cb -0.13 -3.88 0.22 0.00 0.00 0.00 0.00 36.38 32.58 2wa2 s VAL 211 CO 0.02 0.12 1.40 -0.81 0.00 0.00 0.00 175.10 175.83 2wa2 n PRO 212 N 5.14 0.16 0.15 2.72 -0.04 -1.26 -0.80 135.00 141.07 2wa2 n PRO 212 Ca -0.03 0.17 0.12 0.00 -0.04 0.00 0.00 63.50 63.73 2wa2 n PRO 212 Cb 0.50 -1.50 0.26 0.00 -0.04 0.00 0.00 33.50 32.72 2wa2 n PRO 212 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 2wa2 h LEU 213 N 0.00 0.00 -9.85 1.53 4.07 -1.93 -2.16 115.31 106.97 2wa2 h LEU 213 Ca 0.00 -0.02 -0.53 0.00 0.08 0.00 0.00 57.88 57.42 2wa2 h LEU 213 Cb 0.16 0.00 0.07 0.00 1.08 0.00 0.00 40.66 41.96 2wa2 h LEU 213 CO 0.00 0.01 0.69 -0.44 -1.08 0.00 0.00 178.44 177.61 2wa2 s SER 214 N -5.27 6.70 0.64 -0.43 0.01 0.02 -4.69 113.70 110.68 2wa2 s SER 214 Ca 0.08 2.72 -0.14 0.00 1.31 0.00 0.00 55.95 59.91 2wa2 s SER 214 Cb 0.09 -2.64 -0.01 0.00 0.21 0.00 0.00 66.02 63.67 2wa2 s SER 214 CO 0.65 -0.62 1.08 -0.13 0.41 0.00 0.00 173.24 174.63 2wa2 s ARG 215 N -1.43 3.01 0.32 12.44 0.52 -1.26 -4.84 118.95 127.71 2wa2 s ARG 215 Ca 0.52 1.23 0.26 0.00 -0.52 0.00 0.00 55.73 57.22 2wa2 s ARG 215 Cb -0.41 -1.99 1.09 0.00 0.52 0.00 0.00 34.95 34.17 2wa2 s ARG 215 CO 0.51 -1.06 1.77 -0.91 0.02 0.00 0.00 175.30 175.63 2wa2 h ASN 216 N 0.03 0.00 0.09 0.23 2.35 -1.26 -2.63 115.58 114.39 2wa2 h ASN 216 Ca -0.46 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.29 2wa2 h ASN 216 Cb 1.23 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.60 2wa2 h ASN 216 CO 0.56 0.00 0.00 -1.54 -1.65 0.00 0.00 177.43 174.80 2wa2 n SER 217 N -2.40 0.00 -4.00 5.81 3.41 -1.26 -4.73 113.62 110.44 2wa2 n SER 217 Ca 0.01 -0.72 -0.17 0.00 -0.26 0.00 0.00 58.87 57.73 2wa2 n SER 217 Cb 0.22 -0.05 -0.14 0.00 -0.26 0.00 0.00 64.21 63.98 2wa2 n SER 217 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2wa2 s THR 218 N -2.11 0.59 -1.07 6.66 -1.32 -0.99 -5.02 115.64 112.37 2wa2 s THR 218 Ca 0.38 -0.37 0.13 0.00 -1.21 0.00 0.00 61.69 60.63 2wa2 s THR 218 Cb 0.19 -0.50 0.55 0.00 -1.51 0.00 0.00 72.50 71.23 2wa2 s THR 218 CO 0.34 0.13 1.41 1.57 -2.21 0.00 0.00 174.62 175.85 2wa2 n HIS 219 N 2.80 1.21 -1.72 9.09 -0.00 -1.26 -4.72 115.22 120.62 2wa2 n HIS 219 Ca -0.14 -0.46 -0.41 0.00 0.46 0.00 0.00 57.72 57.17 2wa2 n HIS 219 Cb 0.57 -0.24 0.01 0.00 -0.12 0.00 0.00 29.99 30.21 2wa2 n HIS 219 CO 0.00 0.00 0.00 -0.85 0.46 0.00 0.00 176.34 175.95 2wa2 n GLU 220 N 0.71 2.09 -4.26 1.57 0.28 -1.20 -4.54 120.64 115.30 2wa2 n GLU 220 Ca 0.19 0.74 -0.14 0.00 -0.16 0.00 0.00 57.16 57.79 2wa2 n GLU 220 Cb 0.75 -2.46 -0.10 0.00 1.43 0.00 0.00 31.44 31.06 2wa2 n GLU 220 CO 0.00 0.00 0.00 -1.64 -0.16 0.00 0.00 177.13 175.33 2wa2 s MET 221 N -2.21 1.32 -0.12 3.44 -1.94 -0.71 -4.70 119.30 114.38 2wa2 s MET 221 Ca 0.60 -1.70 0.03 0.00 -1.71 0.00 0.00 55.69 52.90 2wa2 s MET 221 Cb -0.50 -0.00 0.01 0.00 2.01 0.00 0.00 34.83 36.35 2wa2 s MET 221 CO 0.59 -0.35 -0.20 0.71 -0.01 0.00 0.00 175.02 175.76 2wa2 s TYR 222 N -3.94 2.41 -0.33 -0.03 2.02 0.32 0.24 117.35 118.04 2wa2 s TYR 222 Ca 0.38 -1.13 -0.23 0.00 -0.37 0.00 0.00 57.07 55.73 2wa2 s TYR 222 Cb 0.07 -1.65 0.00 0.00 -0.40 0.00 0.00 41.96 39.98 2wa2 s TYR 222 CO 0.13 -0.51 0.76 0.12 -1.57 0.00 0.00 175.55 174.47 2wa2 s PHE 223 N 0.73 3.17 0.08 2.71 5.36 0.33 -0.73 117.98 129.64 2wa2 s PHE 223 Ca -0.10 0.68 0.04 0.00 -0.96 0.00 0.00 56.93 56.59 2wa2 s PHE 223 Cb -0.16 -3.24 -0.03 0.00 -0.34 0.00 0.00 43.02 39.25 2wa2 s PHE 223 CO 0.01 -0.61 -0.12 0.14 -1.46 0.00 0.00 175.22 173.18 2wa2 s VAL 224 N 2.95 0.98 -0.24 3.12 -7.23 -0.20 -0.85 120.40 118.92 2wa2 s VAL 224 Ca 0.31 -1.41 0.18 0.00 -1.81 0.00 0.00 61.98 59.25 2wa2 s VAL 224 Cb -0.14 -1.12 0.10 0.00 0.56 0.00 0.00 36.38 35.78 2wa2 s VAL 224 CO 0.14 -0.37 1.35 0.77 -0.31 0.00 0.00 175.10 176.68 2wa2 h SER 225 N 4.03 0.00 0.34 4.85 4.64 -1.08 -0.97 113.55 125.35 2wa2 h SER 225 Ca -0.39 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.93 2wa2 h SER 225 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 2wa2 h SER 225 CO 0.45 0.31 -0.83 0.61 -0.87 0.00 0.00 176.83 176.50 2wa2 n GLY 226 N 1.21 -1.17 3.13 -0.77 0.00 0.13 -4.26 105.19 103.46 2wa2 n GLY 226 Ca 0.01 -0.44 -0.29 0.00 0.00 0.00 0.00 46.02 45.30 2wa2 n GLY 226 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wa2 s ILE 227 N -3.07 1.69 -0.19 -0.61 1.01 -1.26 -4.71 121.20 114.05 2wa2 s ILE 227 Ca 0.07 -0.79 -0.07 0.00 0.00 0.00 0.00 60.65 59.87 2wa2 s ILE 227 Cb 0.16 -1.49 -0.04 0.00 0.01 0.00 0.00 42.46 41.10 2wa2 s ILE 227 CO 0.78 0.48 0.05 -0.54 0.00 0.00 0.00 174.94 175.71 2wa2 s LYS 228 N 0.58 3.84 0.34 2.79 1.02 -1.26 -1.46 119.74 125.59 2wa2 s LYS 228 Ca -0.15 -0.41 -0.04 0.00 0.02 0.00 0.00 55.97 55.40 2wa2 s LYS 228 Cb -0.17 -3.19 0.02 0.00 -0.52 0.00 0.00 37.83 33.97 2wa2 s LYS 228 CO 0.05 0.15 0.51 0.27 -0.92 0.00 0.00 175.35 175.40 2wa2 n ASN 229 N 3.89 -1.43 -4.59 2.83 0.23 -1.25 -4.94 115.26 110.01 2wa2 n ASN 229 Ca -0.17 -2.73 -0.42 0.00 -0.53 0.00 0.00 54.58 50.74 2wa2 n ASN 229 Cb 0.52 2.59 -0.06 0.00 -2.08 0.00 0.00 39.78 40.75 2wa2 n ASN 229 CO 0.00 0.00 0.00 0.21 -0.93 0.00 0.00 177.26 176.54 2wa2 s ASN 230 N -3.02 6.52 -0.01 0.53 3.84 -1.26 -4.78 114.94 116.76 2wa2 s ASN 230 Ca 0.25 0.34 -0.25 0.00 0.21 0.00 0.00 52.86 53.42 2wa2 s ASN 230 Cb -0.02 -2.37 -0.18 0.00 -0.55 0.00 0.00 41.25 38.14 2wa2 s ASN 230 CO 0.18 -0.64 1.21 0.40 -2.79 0.00 0.00 177.10 175.46 2wa2 h ILE 231 N 5.68 1.03 -0.95 -5.21 2.04 -1.96 -0.68 117.51 117.45 2wa2 h ILE 231 Ca -0.25 -0.89 -0.00 0.00 1.00 0.00 0.00 64.86 64.72 2wa2 h ILE 231 Cb 1.10 1.56 -0.05 0.00 -0.74 0.00 0.00 36.82 38.70 2wa2 h ILE 231 CO 0.87 0.20 0.59 0.24 0.00 0.00 0.00 178.15 180.05 2wa2 h MET 232 N -0.62 1.29 -0.50 2.37 2.86 -1.96 -0.54 114.93 117.83 2wa2 h MET 232 Ca -0.02 -0.11 -0.01 0.00 -2.06 0.00 0.00 59.70 57.51 2wa2 h MET 232 Cb 0.47 -0.27 -0.02 0.00 0.06 0.00 0.00 31.60 31.84 2wa2 h MET 232 CO 0.03 0.89 0.29 0.78 1.06 0.00 0.00 176.91 179.96 2wa2 h GLY 233 N 1.31 0.74 1.87 8.32 0.00 -1.97 -2.08 103.07 111.25 2wa2 h GLY 233 Ca 0.34 -0.32 -0.13 0.00 0.00 0.00 0.00 47.33 47.22 2wa2 h GLY 233 CO -0.07 0.31 -0.57 -0.57 0.00 0.00 0.00 176.54 175.64 2wa2 h ASN 234 N 0.67 0.16 -0.26 0.19 -1.24 -0.15 -1.92 115.58 113.03 2wa2 h ASN 234 Ca 0.18 -0.09 -0.01 0.00 0.71 0.00 0.00 56.30 57.09 2wa2 h ASN 234 Cb 0.02 -0.04 -0.01 0.00 0.73 0.00 0.00 38.32 39.01 2wa2 h ASN 234 CO -0.03 0.70 0.11 0.58 -1.29 0.00 0.00 177.43 177.49 2wa2 h VAL 235 N 0.11 1.17 -0.67 2.57 2.07 -0.96 -1.61 116.25 118.92 2wa2 h VAL 235 Ca -0.00 -0.51 -0.04 0.00 0.82 0.00 0.00 66.70 66.96 2wa2 h VAL 235 Cb 1.04 1.03 -0.03 0.00 -1.52 0.00 0.00 31.29 31.81 2wa2 h VAL 235 CO 0.08 0.17 0.25 0.74 0.02 0.00 0.00 177.57 178.83 2wa2 h THR 236 N 0.27 1.25 -0.66 2.57 2.02 -1.28 -1.31 112.91 115.76 2wa2 h THR 236 Ca 0.09 -0.80 0.08 0.00 0.77 0.00 0.00 66.41 66.54 2wa2 h THR 236 Cb 0.17 0.50 -0.06 0.00 -1.74 0.00 0.00 68.15 67.02 2wa2 h THR 236 CO -0.01 0.31 0.33 0.00 0.37 0.00 0.00 175.52 176.53 2wa2 h ALA 237 N 1.11 0.90 -0.16 6.16 0.00 -1.21 -0.74 119.26 125.31 2wa2 h ALA 237 Ca 0.22 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 2wa2 h ALA 237 Cb 0.24 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 2wa2 h ALA 237 CO -0.01 -0.04 0.05 0.28 0.00 0.00 0.00 179.25 179.53 2wa2 h VAL 238 N 0.60 1.17 -0.42 0.00 2.07 -0.83 -1.61 116.25 117.24 2wa2 h VAL 238 Ca 0.32 -0.53 0.08 0.00 0.82 0.00 0.00 66.70 67.39 2wa2 h VAL 238 Cb 0.29 1.23 -0.08 0.00 -1.52 0.00 0.00 31.29 31.21 2wa2 h VAL 238 CO -0.23 0.16 -0.11 0.28 0.02 0.00 0.00 177.57 177.69 2wa2 h SER 239 N 0.08 -0.40 -0.54 0.57 0.02 -0.80 0.25 113.55 112.73 2wa2 h SER 239 Ca 0.05 0.13 0.07 0.00 -0.84 0.00 0.00 61.79 61.20 2wa2 h SER 239 Cb 0.21 0.26 -0.06 0.00 0.14 0.00 0.00 62.40 62.95 2wa2 h SER 239 CO -0.00 -0.14 0.22 0.03 -1.14 0.00 0.00 176.83 175.80 2wa2 h ARG 240 N -0.01 0.41 -0.33 3.45 3.08 -1.00 0.17 114.38 120.16 2wa2 h ARG 240 Ca 0.20 -0.02 -0.03 0.00 0.07 0.00 0.00 59.98 60.20 2wa2 h ARG 240 Cb 0.31 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.25 2wa2 h ARG 240 CO -0.43 0.27 0.09 0.37 -1.07 0.00 0.00 179.97 179.20 2wa2 h GLN 241 N 0.42 0.51 -0.32 0.04 4.15 -0.32 0.14 115.11 119.73 2wa2 h GLN 241 Ca 0.26 -0.12 -0.10 0.00 0.77 0.00 0.00 58.65 59.46 2wa2 h GLN 241 Cb 0.25 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 27.86 2wa2 h GLN 241 CO -0.24 0.56 -0.22 -0.07 -1.93 0.00 0.00 178.83 176.93 2wa2 h LEU 242 N 0.37 0.61 -0.39 -2.39 3.38 -0.65 -0.71 115.31 115.52 2wa2 h LEU 242 Ca 0.10 -0.20 -0.06 0.00 0.09 0.00 0.00 57.88 57.81 2wa2 h LEU 242 Cb 0.27 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 2wa2 h LEU 242 CO -0.00 0.82 -0.01 -0.07 0.09 0.00 0.00 178.44 179.27 2wa2 h LEU 243 N 0.54 0.69 -0.56 1.67 3.38 -0.76 -3.09 115.31 117.18 2wa2 h LEU 243 Ca 0.08 -0.31 0.03 0.00 0.09 0.00 0.00 57.88 57.76 2wa2 h LEU 243 Cb 0.67 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 41.20 2wa2 h LEU 243 CO 0.05 0.83 0.34 0.50 0.09 0.00 0.00 178.44 180.25 2wa2 h LYS 244 N 0.52 0.65 0.00 1.13 3.64 -0.60 -2.28 116.57 119.63 2wa2 h LYS 244 Ca 0.11 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.44 2wa2 h LYS 244 Cb 0.49 -0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 32.16 2wa2 h LYS 244 CO 0.02 0.43 -0.04 0.00 -2.27 0.00 0.00 179.45 177.58 2wa2 h ARG 245 N 0.66 0.00 0.00 1.90 3.08 -1.14 -1.77 114.38 117.11 2wa2 h ARG 245 Ca 0.23 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.23 2wa2 h ARG 245 Cb 0.03 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.07 2wa2 h ARG 245 CO -0.10 0.04 -0.23 0.52 -1.07 0.00 0.00 179.97 179.14 2wa2 h MET 246 N 0.00 0.00 -0.43 0.04 2.86 -1.32 -2.87 114.93 113.21 2wa2 h MET 246 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2wa2 h MET 246 Cb 0.21 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.87 2wa2 h MET 246 CO 0.01 0.23 0.00 -0.85 1.06 0.00 0.00 176.91 177.35 2wa2 n GLU 247 N -3.56 3.75 -4.47 1.72 0.28 -0.67 -4.98 120.64 112.72 2wa2 n GLU 247 Ca -0.01 -2.92 -0.25 0.00 -0.16 0.00 0.00 57.16 53.82 2wa2 n GLU 247 Cb 0.37 -1.97 -0.10 0.00 1.43 0.00 0.00 31.44 31.18 2wa2 n GLU 247 CO 0.00 0.00 0.00 -1.21 -0.16 0.00 0.00 177.13 175.76 2wa2 s GLU 248 N -2.56 1.91 0.13 3.44 2.02 -1.08 -5.13 118.70 117.43 2wa2 s GLU 248 Ca 0.47 -1.86 0.08 0.00 0.02 0.00 0.00 54.97 53.68 2wa2 s GLU 248 Cb 0.35 -1.79 -0.04 0.00 0.10 0.00 0.00 34.13 32.75 2wa2 s GLU 248 CO 0.14 0.15 -0.13 -0.65 0.02 0.00 0.00 175.26 174.79 2wa2 s GLN 249 N -3.64 1.97 0.00 1.61 -1.52 -1.26 -5.00 119.66 111.82 2wa2 s GLN 249 Ca 0.33 -1.15 0.00 0.00 -1.95 0.00 0.00 55.36 52.59 2wa2 s GLN 249 Cb 0.01 -2.19 0.00 0.00 -0.22 0.00 0.00 33.01 30.61 2wa2 s GLN 249 CO 0.17 0.48 0.00 0.41 -0.25 0.00 0.00 175.29 176.10 2wa2 n GLY 250 N 0.55 3.30 1.98 3.09 0.00 -1.26 -5.04 105.19 107.81 2wa2 n GLY 250 Ca -0.13 -1.48 -0.13 0.00 0.00 0.00 0.00 46.02 44.27 2wa2 n GLY 250 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wa2 n GLY 251 N -1.73 2.86 3.73 -0.02 0.00 -1.26 -4.61 105.19 104.15 2wa2 n GLY 251 Ca 0.00 -2.24 -0.29 0.00 0.00 0.00 0.00 46.02 43.50 2wa2 n GLY 251 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2wa2 s GLU 252 N -3.18 0.86 -0.43 1.61 -1.05 -1.17 -0.39 118.70 114.95 2wa2 s GLU 252 Ca 0.17 0.46 -0.03 0.00 -0.15 0.00 0.00 54.97 55.42 2wa2 s GLU 252 Cb -0.01 -1.79 0.12 0.00 -0.44 0.00 0.00 34.13 32.00 2wa2 s GLU 252 CO 0.11 -2.42 0.23 1.03 0.95 0.00 0.00 175.26 175.15 2wa2 s ARG 253 N -5.09 2.05 0.10 -4.83 0.52 0.17 -4.80 118.95 107.07 2wa2 s ARG 253 Ca 0.64 -1.91 -0.30 0.00 -0.52 0.00 0.00 55.73 53.64 2wa2 s ARG 253 Cb -0.17 -3.59 -0.06 0.00 0.52 0.00 0.00 34.95 31.66 2wa2 s ARG 253 CO 0.56 -1.08 1.00 0.08 0.02 0.00 0.00 175.30 175.87 2wa2 s VAL 254 N 0.99 4.44 0.12 3.52 1.01 -1.26 -0.55 120.40 128.67 2wa2 s VAL 254 Ca 0.09 1.97 0.03 0.00 0.00 0.00 0.00 61.98 64.07 2wa2 s VAL 254 Cb -0.22 -4.26 -0.04 0.00 0.00 0.00 0.00 36.38 31.85 2wa2 s VAL 254 CO -0.04 0.27 -0.09 0.68 0.00 0.00 0.00 175.10 175.93 2wa2 s VAL 255 N 0.19 0.94 0.45 2.92 -7.23 -0.67 -4.91 120.40 112.09 2wa2 s VAL 255 Ca 0.49 -1.94 -0.25 0.00 -1.81 0.00 0.00 61.98 58.46 2wa2 s VAL 255 Cb -0.24 -1.70 -0.08 0.00 0.56 0.00 0.00 36.38 34.91 2wa2 s VAL 255 CO 0.30 -0.77 1.40 -2.16 -0.31 0.00 0.00 175.10 173.56 2wa2 s PRO 256 N -3.63 3.71 0.87 4.82 0.04 -1.26 -0.76 135.00 138.79 2wa2 s PRO 256 Ca 0.13 2.36 -0.11 0.00 0.04 0.00 0.00 61.00 63.41 2wa2 s PRO 256 Cb 0.03 -2.65 0.11 0.00 0.04 0.00 0.00 34.50 32.03 2wa2 s PRO 256 CO -0.02 -0.77 1.09 0.34 0.04 0.00 0.00 177.00 177.68 2wa2 s ASP 257 N -0.58 3.74 0.18 6.66 2.15 -1.26 -4.64 116.67 122.93 2wa2 s ASP 257 Ca 0.61 1.47 -0.31 0.00 0.43 0.00 0.00 52.55 54.75 2wa2 s ASP 257 Cb -0.42 -2.16 -0.09 0.00 -0.30 0.00 0.00 42.92 39.94 2wa2 s ASP 257 CO 0.54 -2.47 1.45 -0.47 -0.17 0.00 0.00 175.17 174.05 2wa2 s TYR 258 N -2.98 3.13 -0.16 -5.34 5.04 -1.26 -5.01 117.35 110.78 2wa2 s TYR 258 Ca 0.63 0.91 -0.02 0.00 -2.44 0.00 0.00 57.07 56.15 2wa2 s TYR 258 Cb -0.17 -3.78 -0.01 0.00 0.35 0.00 0.00 41.96 38.34 2wa2 s TYR 258 CO 0.56 -2.70 -0.10 0.21 -1.34 0.00 0.00 175.55 172.18 2wa2 s LYS 259 N 0.55 3.43 0.16 4.97 2.20 -1.26 -4.13 119.74 125.66 2wa2 s LYS 259 Ca 0.64 -0.64 0.01 0.00 -0.36 0.00 0.00 55.97 55.61 2wa2 s LYS 259 Cb -0.40 -2.77 -0.04 0.00 -1.51 0.00 0.00 37.83 33.11 2wa2 s LYS 259 CO 0.35 0.12 0.32 -0.06 -0.36 0.00 0.00 175.35 175.72 2wa2 s PHE 260 N 0.63 3.49 1.02 4.03 0.08 -0.02 -5.07 117.98 122.14 2wa2 s PHE 260 Ca -0.06 0.21 -0.17 0.00 0.12 0.00 0.00 56.93 57.03 2wa2 s PHE 260 Cb -0.15 -1.74 0.24 0.00 -0.57 0.00 0.00 43.02 40.80 2wa2 s PHE 260 CO 0.03 0.47 1.33 -1.13 -0.10 0.00 0.00 175.22 175.82 2wa2 n SER 261 N -0.54 -0.12 -4.46 1.36 3.41 -1.26 -4.44 113.62 107.57 2wa2 n SER 261 Ca -0.06 -1.46 -0.23 0.00 -0.26 0.00 0.00 58.87 56.87 2wa2 n SER 261 Cb 0.54 -1.03 -0.10 0.00 -0.26 0.00 0.00 64.21 63.35 2wa2 n SER 261 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2wa2 s THR 262 N -3.87 1.79 0.00 6.66 -4.23 -1.26 -0.40 115.64 114.32 2wa2 s THR 262 Ca 0.76 -2.14 0.00 0.00 -1.18 0.00 0.00 61.69 59.13 2wa2 s THR 262 Cb -0.02 -2.53 0.00 0.00 1.34 0.00 0.00 72.50 71.29 2wa2 s THR 262 CO 0.54 -0.25 0.00 0.61 -0.54 0.00 0.00 174.62 174.97 2wa2 n GLY 263 N -0.65 2.48 3.89 3.99 0.00 -0.86 -4.51 105.19 109.54 2wa2 n GLY 263 Ca -0.05 -2.08 -0.29 0.00 0.00 0.00 0.00 46.02 43.60 2wa2 n GLY 263 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2wa2 s THR 264 N -2.25 4.24 0.05 2.61 -4.23 -1.26 -1.38 115.64 113.42 2wa2 s THR 264 Ca 0.00 0.49 0.08 0.00 -1.18 0.00 0.00 61.69 61.07 2wa2 s THR 264 Cb 0.00 -3.69 -0.03 0.00 1.34 0.00 0.00 72.50 70.11 2wa2 s THR 264 CO 0.00 -0.83 -0.20 -0.13 -0.54 0.00 0.00 174.62 172.92 2wa2 s ARG 265 N -5.11 1.98 0.00 3.99 0.52 -1.26 -4.57 118.95 114.50 2wa2 s ARG 265 Ca 0.54 -1.03 0.24 0.00 -0.52 0.00 0.00 55.73 54.96 2wa2 s ARG 265 Cb -0.11 -2.14 0.22 0.00 0.52 0.00 0.00 34.95 33.45 2wa2 s ARG 265 CO 0.50 0.53 1.28 -1.13 0.02 0.00 0.00 175.30 176.50