#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wa1 n PRO 7 N 0.00 1.35 -1.26 0.00 -0.02 -1.26 -4.95 135.00 128.86 2wa1 n PRO 7 Ca 0.00 0.48 -0.29 0.00 -2.02 0.00 0.00 63.50 61.67 2wa1 n PRO 7 Cb 0.00 -2.01 0.15 0.00 -0.02 0.00 0.00 33.50 31.62 2wa1 n PRO 7 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 2wa1 s THR 8 N -0.19 2.35 0.32 3.45 -4.23 -1.26 -4.85 115.64 111.23 2wa1 s THR 8 Ca 0.72 0.11 0.03 0.00 -1.18 0.00 0.00 61.69 61.37 2wa1 s THR 8 Cb -0.80 -2.66 0.29 0.00 1.34 0.00 0.00 72.50 70.67 2wa1 s THR 8 CO 0.52 -0.15 1.90 -0.07 -0.54 0.00 0.00 174.62 176.28 2wa1 h LEU 9 N -1.66 0.82 -0.54 4.79 3.38 -1.97 -1.70 115.31 118.44 2wa1 h LEU 9 Ca -0.52 0.02 -0.09 0.00 0.09 0.00 0.00 57.88 57.38 2wa1 h LEU 9 Cb 1.31 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.88 2wa1 h LEU 9 CO 0.57 0.50 -0.02 1.23 0.09 0.00 0.00 178.44 180.81 2wa1 h GLY 10 N 0.92 1.04 1.36 0.83 0.00 -1.92 0.08 103.07 105.38 2wa1 h GLY 10 Ca 0.40 -0.79 -0.03 0.00 0.00 0.00 0.00 47.33 46.91 2wa1 h GLY 10 CO -0.16 0.72 0.22 0.83 0.00 0.00 0.00 176.54 178.15 2wa1 h GLU 11 N 0.84 0.83 -0.25 4.80 5.08 -1.85 0.06 114.58 124.10 2wa1 h GLU 11 Ca 0.15 -0.13 -0.11 0.00 -1.00 0.00 0.00 59.36 58.27 2wa1 h GLU 11 Cb 0.56 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.66 2wa1 h GLU 11 CO 0.03 0.68 -0.27 0.82 -1.00 0.00 0.00 179.01 179.28 2wa1 h ILE 12 N 0.82 1.31 -0.43 3.13 2.04 -0.98 -1.79 117.51 121.61 2wa1 h ILE 12 Ca 0.19 -1.44 0.07 0.00 1.00 0.00 0.00 64.86 64.68 2wa1 h ILE 12 Cb 0.17 1.68 -0.06 0.00 -0.74 0.00 0.00 36.82 37.87 2wa1 h ILE 12 CO -0.02 0.45 0.10 -0.25 0.00 0.00 0.00 178.15 178.43 2wa1 h TRP 13 N 0.33 0.16 -0.36 1.37 7.01 -0.69 -1.51 115.95 122.26 2wa1 h TRP 13 Ca 0.04 0.03 -0.03 0.00 2.11 0.00 0.00 58.89 61.03 2wa1 h TRP 13 Cb 0.83 -0.01 -0.01 0.00 -2.10 0.00 0.00 29.16 27.87 2wa1 h TRP 13 CO 0.08 0.02 0.09 -0.22 -2.79 0.00 0.00 178.44 175.62 2wa1 h LYS 14 N 0.23 0.57 -0.34 2.65 1.63 -0.81 0.15 116.57 120.66 2wa1 h LYS 14 Ca 0.21 -0.13 0.01 0.00 -0.85 0.00 0.00 60.65 59.88 2wa1 h LYS 14 Cb 0.25 -0.08 -0.02 0.00 -0.60 0.00 0.00 32.23 31.78 2wa1 h LYS 14 CO -0.26 0.61 0.22 -0.09 -3.45 0.00 0.00 179.45 176.47 2wa1 h ARG 15 N 0.43 0.43 -0.82 1.90 2.43 -1.25 -1.59 114.38 115.91 2wa1 h ARG 15 Ca 0.11 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.25 2wa1 h ARG 15 Cb 0.29 -0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 29.70 2wa1 h ARG 15 CO -0.00 0.28 0.49 0.87 -1.51 0.00 0.00 179.97 180.10 2wa1 h LYS 16 N 0.44 1.12 -0.33 0.20 1.57 -0.92 -2.56 116.57 116.08 2wa1 h LYS 16 Ca 0.13 -0.11 0.03 0.00 -1.87 0.00 0.00 60.65 58.83 2wa1 h LYS 16 Cb -0.04 -0.23 -0.03 0.00 0.08 0.00 0.00 32.23 32.00 2wa1 h LYS 16 CO -0.04 0.79 0.13 1.25 -0.57 0.00 0.00 179.45 181.01 2wa1 h LEU 17 N 1.13 0.15 -1.21 2.94 5.85 -0.39 -2.24 115.31 121.54 2wa1 h LEU 17 Ca 0.29 0.03 0.00 0.00 0.84 0.00 0.00 57.88 59.05 2wa1 h LEU 17 Cb -0.03 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.01 2wa1 h LEU 17 CO -0.05 0.12 0.00 0.78 -0.34 0.00 0.00 178.44 178.95 2wa1 h ASN 18 N 0.28 0.00 1.11 1.25 2.35 -1.08 -2.57 115.58 116.92 2wa1 h ASN 18 Ca 0.15 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.90 2wa1 h ASN 18 Cb 0.11 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.48 2wa1 h ASN 18 CO -0.14 0.00 -0.38 0.00 -1.65 0.00 0.00 177.43 175.26 2wa1 n GLN 19 N -2.54 0.28 -2.29 0.81 6.02 -0.85 -4.92 117.38 113.89 2wa1 n GLN 19 Ca 0.01 0.14 -0.41 0.00 -0.01 0.00 0.00 57.00 56.72 2wa1 n GLN 19 Cb 0.21 -1.74 -0.03 0.00 1.02 0.00 0.00 30.24 29.70 2wa1 n GLN 19 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2wa1 s LEU 20 N -4.35 4.44 0.99 1.08 1.43 -0.97 -5.05 118.68 116.24 2wa1 s LEU 20 Ca 0.08 2.34 -0.17 0.00 -1.03 0.00 0.00 54.13 55.35 2wa1 s LEU 20 Cb 0.13 -3.61 0.22 0.00 0.03 0.00 0.00 46.19 42.96 2wa1 s LEU 20 CO 0.67 -0.44 1.34 1.51 0.23 0.00 0.00 176.35 179.66 2wa1 s ASP 21 N 0.15 2.88 0.17 2.29 1.47 -1.26 -4.65 116.67 117.72 2wa1 s ASP 21 Ca 0.54 0.21 -0.14 0.00 1.18 0.00 0.00 52.55 54.34 2wa1 s ASP 21 Cb -0.35 -0.19 0.07 0.00 -0.34 0.00 0.00 42.92 42.11 2wa1 s ASP 21 CO 0.38 -2.88 1.82 0.00 0.68 0.00 0.00 175.17 175.17 2wa1 h ALA 22 N -1.74 0.69 -0.28 2.11 0.00 -1.98 0.32 119.26 118.38 2wa1 h ALA 22 Ca -0.44 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.32 2wa1 h ALA 22 Cb 1.22 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 2wa1 h ALA 22 CO 0.34 0.16 -0.20 0.87 0.00 0.00 0.00 179.25 180.42 2wa1 h LYS 23 N 0.73 0.62 -0.69 0.00 1.79 -1.99 -1.83 116.57 115.20 2wa1 h LYS 23 Ca 0.20 -0.30 -0.03 0.00 -2.18 0.00 0.00 60.65 58.34 2wa1 h LYS 23 Cb -0.04 -0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 30.58 2wa1 h LYS 23 CO -0.04 0.89 0.32 0.93 -1.08 0.00 0.00 179.45 180.48 2wa1 h GLU 24 N 0.36 1.00 -0.58 3.15 5.08 -1.85 -2.05 114.58 119.70 2wa1 h GLU 24 Ca 0.05 -0.15 -0.00 0.00 -1.00 0.00 0.00 59.36 58.26 2wa1 h GLU 24 Cb 0.74 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.78 2wa1 h GLU 24 CO 0.05 0.80 0.36 0.35 -1.00 0.00 0.00 179.01 179.57 2wa1 h PHE 25 N 0.97 0.75 -0.33 4.33 3.57 -0.32 0.23 116.94 126.14 2wa1 h PHE 25 Ca 0.24 0.00 -0.16 0.00 3.53 0.00 0.00 57.97 61.58 2wa1 h PHE 25 Cb 0.13 -0.25 -0.01 0.00 2.79 0.00 0.00 35.95 38.62 2wa1 h PHE 25 CO 0.01 0.50 -0.41 0.52 -2.23 0.00 0.00 178.31 176.69 2wa1 h MET 26 N 0.78 0.82 -0.35 1.11 2.86 -1.15 -0.66 114.93 118.34 2wa1 h MET 26 Ca 0.21 -0.44 -0.08 0.00 -2.06 0.00 0.00 59.70 57.33 2wa1 h MET 26 Cb -0.04 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.63 2wa1 h MET 26 CO -0.04 1.08 -0.09 0.00 1.06 0.00 0.00 176.91 178.92 2wa1 h ALA 27 N 0.86 0.48 -0.35 6.32 0.00 -1.31 -3.30 119.26 121.96 2wa1 h ALA 27 Ca 0.05 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 2wa1 h ALA 27 Cb 0.98 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 2wa1 h ALA 27 CO 0.09 0.33 0.16 -0.92 0.00 0.00 0.00 179.25 178.91 2wa1 h TYR 28 N 0.47 0.52 0.00 0.00 3.20 -0.80 -3.17 116.97 117.19 2wa1 h TYR 28 Ca 0.09 -0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.90 2wa1 h TYR 28 Cb 0.59 -0.16 -0.00 0.00 1.54 0.00 0.00 36.73 38.70 2wa1 h TYR 28 CO 0.05 0.46 -0.13 0.07 -1.64 0.00 0.00 178.16 176.97 2wa1 h ARG 29 N 0.43 0.00 -0.02 1.82 0.11 -1.19 -2.15 114.38 113.38 2wa1 h ARG 29 Ca 0.12 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.20 2wa1 h ARG 29 Cb 0.14 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.22 2wa1 h ARG 29 CO -0.01 0.13 -0.40 2.89 0.10 0.00 0.00 179.97 182.67 2wa1 n ARG 30 N -4.15 1.39 -1.64 0.08 1.85 -1.24 -0.55 116.66 112.40 2wa1 n ARG 30 Ca -0.02 -1.14 -0.43 0.00 -1.00 0.00 0.00 57.85 55.25 2wa1 n ARG 30 Cb 0.20 -1.47 -0.03 0.00 -1.05 0.00 0.00 32.46 30.11 2wa1 n ARG 30 CO 0.00 0.00 0.00 0.50 -0.01 0.00 0.00 177.63 178.12 2wa1 s ARG 31 N -2.39 3.32 -0.52 2.89 3.52 -0.81 -1.59 118.95 123.37 2wa1 s ARG 31 Ca 0.20 2.11 0.00 0.00 -0.13 0.00 0.00 55.73 57.91 2wa1 s ARG 31 Cb 0.18 -4.33 0.00 0.00 -1.56 0.00 0.00 34.95 29.25 2wa1 s ARG 31 CO 0.53 -1.89 0.00 1.19 -0.81 0.00 0.00 175.30 174.32 2wa1 n PHE 32 N 10.87 0.00 -2.91 5.12 3.72 0.08 -4.92 117.46 129.43 2wa1 n PHE 32 Ca 0.28 0.00 -0.40 0.00 -0.05 0.00 0.00 57.45 57.28 2wa1 n PHE 32 Cb 0.44 -1.65 -0.05 0.00 -0.94 0.00 0.00 39.48 37.28 2wa1 n PHE 32 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 2wa1 s VAL 33 N -1.80 4.53 -0.52 -4.37 1.01 -0.62 -4.70 120.40 113.92 2wa1 s VAL 33 Ca 0.00 1.78 -0.28 0.00 0.00 0.00 0.00 61.98 63.48 2wa1 s VAL 33 Cb 0.00 -4.18 0.00 0.00 0.00 0.00 0.00 36.38 32.20 2wa1 s VAL 33 CO 0.00 0.41 1.51 -0.69 0.00 0.00 0.00 175.10 176.33 2wa1 s VAL 34 N -0.44 3.72 -0.27 2.92 1.01 -0.44 -1.32 120.40 125.57 2wa1 s VAL 34 Ca 0.40 0.63 -0.08 0.00 0.00 0.00 0.00 61.98 62.93 2wa1 s VAL 34 Cb -0.22 -4.24 -0.02 0.00 0.00 0.00 0.00 36.38 31.90 2wa1 s VAL 34 CO 0.26 -0.98 0.09 -1.61 0.00 0.00 0.00 175.10 172.86 2wa1 s GLU 35 N 5.62 3.46 0.31 2.72 0.41 -0.00 -4.20 118.70 127.01 2wa1 s GLU 35 Ca 0.59 -0.62 -0.29 0.00 -0.41 0.00 0.00 54.97 54.24 2wa1 s GLU 35 Cb -0.13 -3.38 -0.10 0.00 -1.78 0.00 0.00 34.13 28.74 2wa1 s GLU 35 CO 0.27 -0.29 1.27 0.14 -0.49 0.00 0.00 175.26 176.15 2wa1 s VAL 36 N 1.59 2.90 -0.48 2.63 -7.23 -1.26 -1.29 120.40 117.26 2wa1 s VAL 36 Ca 0.05 0.89 -0.28 0.00 -1.81 0.00 0.00 61.98 60.82 2wa1 s VAL 36 Cb -0.16 -3.56 0.01 0.00 0.56 0.00 0.00 36.38 33.23 2wa1 s VAL 36 CO 0.04 0.20 1.38 -0.62 -0.31 0.00 0.00 175.10 175.79 2wa1 s ASP 37 N -0.47 6.29 0.00 4.85 -1.08 0.13 -4.84 116.67 121.55 2wa1 s ASP 37 Ca 0.49 0.58 0.22 0.00 -0.52 0.00 0.00 52.55 53.32 2wa1 s ASP 37 Cb -0.38 -2.54 0.53 0.00 -1.46 0.00 0.00 42.92 39.07 2wa1 s ASP 37 CO 0.49 -1.52 1.46 0.54 0.52 0.00 0.00 175.17 176.66 2wa1 n ARG 38 N 8.28 2.62 0.00 4.34 5.12 -1.26 -3.76 116.66 132.00 2wa1 n ARG 38 Ca 0.14 -2.47 -0.12 0.00 -1.93 0.00 0.00 57.85 53.48 2wa1 n ARG 38 Cb 0.49 -1.53 -0.07 0.00 -1.16 0.00 0.00 32.46 30.18 2wa1 n ARG 38 CO 0.00 0.00 0.00 -0.91 -1.93 0.00 0.00 177.63 174.79 2wa1 h ASN 39 N 4.29 0.07 -0.31 0.55 -0.26 -1.99 0.36 115.58 118.29 2wa1 h ASN 39 Ca 0.00 -0.16 -0.00 0.00 -0.56 0.00 0.00 56.30 55.57 2wa1 h ASN 39 Cb 0.98 -0.02 -0.02 0.00 -1.06 0.00 0.00 38.32 38.21 2wa1 h ASN 39 CO 0.00 0.21 0.19 -0.08 -1.06 0.00 0.00 177.43 176.69 2wa1 h GLU 40 N -0.09 0.42 -0.34 0.81 4.81 -2.00 -2.24 114.58 115.96 2wa1 h GLU 40 Ca 0.02 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.21 2wa1 h GLU 40 Cb 0.17 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.44 2wa1 h GLU 40 CO -0.00 0.33 0.21 0.00 -0.73 0.00 0.00 179.01 178.82 2wa1 h ALA 41 N 1.07 0.43 -0.71 2.92 0.00 -1.85 -1.66 119.26 119.46 2wa1 h ALA 41 Ca 0.11 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 2wa1 h ALA 41 Cb 0.01 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 2wa1 h ALA 41 CO -0.02 -0.08 0.34 -0.09 0.00 0.00 0.00 179.25 179.40 2wa1 h ARG 42 N 0.44 1.01 0.25 0.00 2.43 -0.83 0.47 114.38 118.16 2wa1 h ARG 42 Ca 0.12 -0.14 -0.01 0.00 -0.81 0.00 0.00 59.98 59.14 2wa1 h ARG 42 Cb -0.01 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 29.35 2wa1 h ARG 42 CO -0.02 0.78 -0.12 0.93 -1.51 0.00 0.00 179.97 180.03 2wa1 h GLU 43 N 1.01 -0.33 -0.39 0.20 3.07 -1.25 -1.00 114.58 115.88 2wa1 h GLU 43 Ca 0.25 0.02 0.08 0.00 -0.50 0.00 0.00 59.36 59.21 2wa1 h GLU 43 Cb 0.10 0.07 -0.08 0.00 -0.84 0.00 0.00 28.75 28.00 2wa1 h GLU 43 CO -0.03 0.02 -0.15 0.00 -1.40 0.00 0.00 179.01 177.44 2wa1 h ALA 44 N -0.16 0.17 -0.87 3.43 0.00 -1.14 -1.80 119.26 118.90 2wa1 h ALA 44 Ca -0.03 0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 2wa1 h ALA 44 Cb 0.50 0.40 -0.04 0.00 0.00 0.00 0.00 17.79 18.64 2wa1 h ALA 44 CO 0.06 -0.51 0.44 -0.07 0.00 0.00 0.00 179.25 179.16 2wa1 h LEU 45 N -0.07 1.12 -1.76 0.00 3.38 -0.94 -2.31 115.31 114.73 2wa1 h LEU 45 Ca 0.19 -0.12 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 2wa1 h LEU 45 Cb 0.37 -0.29 -0.00 0.00 0.09 0.00 0.00 40.66 40.83 2wa1 h LEU 45 CO -0.44 0.93 -0.15 0.00 0.09 0.00 0.00 178.44 178.86 2wa1 h ALA 46 N 1.25 1.64 -0.04 1.53 0.00 -0.68 0.45 119.26 123.41 2wa1 h ALA 46 Ca 0.30 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.07 2wa1 h ALA 46 Cb 0.09 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2wa1 h ALA 46 CO -0.04 0.19 0.00 1.63 0.00 0.00 0.00 179.25 181.03 2wa1 n LYS 47 N -4.20 1.45 -1.33 0.00 5.02 -0.72 -4.93 118.16 113.45 2wa1 n LYS 47 Ca -0.02 -0.66 -0.04 0.00 -2.02 0.00 0.00 58.31 55.57 2wa1 n LYS 47 Cb 0.22 -1.45 -0.01 0.00 -0.02 0.00 0.00 35.03 33.77 2wa1 n LYS 47 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2wa1 n GLY 48 N 1.08 0.56 3.79 0.72 0.00 0.15 -5.03 105.19 106.46 2wa1 n GLY 48 Ca 0.19 -0.87 -0.36 0.00 0.00 0.00 0.00 46.02 44.98 2wa1 n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wa1 s LYS 49 N -2.75 4.35 0.00 1.61 1.02 -0.92 -4.97 119.74 118.08 2wa1 s LYS 49 Ca 0.00 1.39 0.00 0.00 0.02 0.00 0.00 55.97 57.38 2wa1 s LYS 49 Cb 0.00 -2.61 0.00 0.00 -0.52 0.00 0.00 37.83 34.70 2wa1 s LYS 49 CO 0.00 0.04 0.27 0.25 -0.92 0.00 0.00 175.35 175.00 2wa1 n THR 50 N 0.12 0.00 -1.06 2.17 -2.24 -1.26 -4.56 114.28 107.44 2wa1 n THR 50 Ca 0.04 -0.37 0.09 0.00 -2.27 0.00 0.00 64.05 61.54 2wa1 n THR 50 Cb 0.50 1.20 0.20 0.00 -2.10 0.00 0.00 70.33 70.14 2wa1 n THR 50 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 2wa1 n ASN 51 N -0.19 3.08 -0.70 3.42 6.94 -1.26 -1.61 115.26 124.94 2wa1 n ASN 51 Ca 0.00 -3.11 0.11 0.00 -0.02 0.00 0.00 54.58 51.57 2wa1 n ASN 51 Cb 0.05 -0.50 0.04 0.00 -2.36 0.00 0.00 39.78 37.02 2wa1 n ASN 51 CO 0.00 0.00 0.00 0.35 -1.03 0.00 0.00 177.26 176.58 2wa1 n THR 52 N -0.98 0.00 -1.01 5.53 -2.24 -1.26 -4.95 114.28 109.38 2wa1 n THR 52 Ca 0.19 -0.38 -0.00 0.00 -2.27 0.00 0.00 64.05 61.59 2wa1 n THR 52 Cb 0.78 1.36 -0.00 0.00 -2.10 0.00 0.00 70.33 70.37 2wa1 n THR 52 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wa1 n GLY 53 N 1.35 0.45 3.83 3.38 0.00 -1.26 -4.91 105.19 108.03 2wa1 n GLY 53 Ca 0.11 -0.11 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 2wa1 n GLY 53 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2wa1 s HIS 54 N -1.90 3.51 0.44 1.61 3.76 -1.26 -0.15 115.29 121.31 2wa1 s HIS 54 Ca 0.00 1.36 -0.22 0.00 -0.15 0.00 0.00 55.06 56.04 2wa1 s HIS 54 Cb 0.00 -2.62 -0.09 0.00 1.11 0.00 0.00 32.58 30.99 2wa1 s HIS 54 CO 0.00 0.20 1.06 0.00 -0.85 0.00 0.00 174.74 175.14 2wa1 s ALA 55 N -1.76 2.99 -0.83 -1.40 0.00 -1.26 -4.91 121.76 114.58 2wa1 s ALA 55 Ca 0.49 0.69 0.27 0.00 0.00 0.00 0.00 51.96 53.41 2wa1 s ALA 55 Cb -0.14 -3.27 0.98 0.00 0.00 0.00 0.00 23.12 20.69 2wa1 s ALA 55 CO 0.19 -0.30 1.82 1.33 0.00 0.00 0.00 175.76 178.81 2wa1 n VAL 56 N -0.47 0.39 -3.83 0.00 0.24 -1.26 -4.89 118.33 108.51 2wa1 n VAL 56 Ca 0.07 -0.13 -0.07 0.00 -2.04 0.00 0.00 64.34 62.17 2wa1 n VAL 56 Cb 0.51 -0.60 -0.00 0.00 -1.47 0.00 0.00 33.84 32.28 2wa1 n VAL 56 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 2wa1 s SER 57 N -3.87 -0.14 0.00 -1.34 1.04 -1.26 -4.99 113.70 103.14 2wa1 s SER 57 Ca 0.11 -0.77 0.11 0.00 0.48 0.00 0.00 55.95 55.89 2wa1 s SER 57 Cb 0.15 0.73 0.51 0.00 0.10 0.00 0.00 66.02 67.50 2wa1 s SER 57 CO 0.55 -1.38 1.32 -2.11 0.98 0.00 0.00 173.24 172.60 2wa1 n ARG 58 N -0.50 0.05 0.02 4.02 1.85 -1.26 -3.28 116.66 117.56 2wa1 n ARG 58 Ca -0.06 0.27 0.06 0.00 -1.00 0.00 0.00 57.85 57.12 2wa1 n ARG 58 Cb 0.60 -1.50 0.47 0.00 -1.05 0.00 0.00 32.46 30.98 2wa1 n ARG 58 CO 0.00 0.00 0.00 0.78 -0.01 0.00 0.00 177.63 178.40 2wa1 h GLY 59 N 1.90 0.50 0.97 2.89 0.00 -1.95 -2.96 103.07 104.41 2wa1 h GLY 59 Ca 0.00 -0.17 -0.00 0.00 0.00 0.00 0.00 47.33 47.15 2wa1 h GLY 59 CO 0.00 0.16 0.07 -0.84 0.00 0.00 0.00 176.54 175.93 2wa1 h THR 60 N 0.45 1.06 -0.75 4.70 2.02 -1.74 -2.17 112.91 116.47 2wa1 h THR 60 Ca 0.16 -0.15 0.03 0.00 0.77 0.00 0.00 66.41 67.21 2wa1 h THR 60 Cb 0.09 0.96 -0.04 0.00 -1.74 0.00 0.00 68.15 67.42 2wa1 h THR 60 CO -0.04 0.06 0.50 0.00 0.37 0.00 0.00 175.52 176.40 2wa1 h ALA 61 N 1.00 1.53 0.21 6.16 0.00 -1.78 0.23 119.26 126.62 2wa1 h ALA 61 Ca 0.04 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2wa1 h ALA 61 Cb 0.03 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.55 2wa1 h ALA 61 CO -0.01 0.40 -0.10 0.87 0.00 0.00 0.00 179.25 180.42 2wa1 h LYS 62 N 0.95 -0.27 -0.80 0.00 1.57 -1.35 -0.61 116.57 116.06 2wa1 h LYS 62 Ca 0.29 0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 59.06 2wa1 h LYS 62 Cb 0.00 0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.34 2wa1 h LYS 62 CO -0.08 -0.16 0.37 1.25 -0.57 0.00 0.00 179.45 180.25 2wa1 h LEU 63 N -0.30 1.06 -0.94 2.94 5.85 -1.17 -2.50 115.31 120.25 2wa1 h LEU 63 Ca -0.03 -0.15 0.08 0.00 0.84 0.00 0.00 57.88 58.62 2wa1 h LEU 63 Cb 0.23 -0.27 -0.07 0.00 0.37 0.00 0.00 40.66 40.92 2wa1 h LEU 63 CO 0.05 0.92 0.59 0.00 -0.34 0.00 0.00 178.44 179.65 2wa1 h ALA 64 N 1.19 1.32 -0.30 1.25 0.00 -0.81 0.28 119.26 122.20 2wa1 h ALA 64 Ca 0.27 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.18 2wa1 h ALA 64 Cb 0.15 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 2wa1 h ALA 64 CO -0.03 0.32 0.19 2.35 0.00 0.00 0.00 179.25 182.08 2wa1 h TRP 65 N 1.04 0.39 0.00 0.00 7.01 -0.69 0.11 115.95 123.82 2wa1 h TRP 65 Ca 0.42 0.00 -0.00 0.00 2.11 0.00 0.00 58.89 61.42 2wa1 h TRP 65 Cb 0.24 -0.13 0.00 0.00 -2.10 0.00 0.00 29.16 27.17 2wa1 h TRP 65 CO -0.02 0.27 -0.00 0.82 -2.79 0.00 0.00 178.44 176.72 2wa1 h ILE 66 N 0.40 1.22 -0.20 2.65 2.04 -1.06 -3.08 117.51 119.48 2wa1 h ILE 66 Ca 0.11 -0.67 0.02 0.00 1.00 0.00 0.00 64.86 65.33 2wa1 h ILE 66 Cb -0.01 1.67 -0.02 0.00 -0.74 0.00 0.00 36.82 37.72 2wa1 h ILE 66 CO -0.02 0.17 0.05 -0.78 0.00 0.00 0.00 178.15 177.57 2wa1 h ASP 67 N -0.29 0.03 -0.01 1.72 3.58 -0.24 -1.56 116.42 119.66 2wa1 h ASP 67 Ca -0.00 0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.48 2wa1 h ASP 67 Cb 0.29 0.03 -0.00 0.00 1.72 0.00 0.00 39.33 41.37 2wa1 h ASP 67 CO 0.00 0.05 0.01 -0.33 -2.88 0.00 0.00 179.24 176.09 2wa1 h GLU 68 N 0.14 0.00 -0.68 0.28 5.08 -0.81 -0.49 114.58 118.09 2wa1 h GLU 68 Ca 0.09 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 2wa1 h GLU 68 Cb 0.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.33 2wa1 h GLU 68 CO -0.11 0.00 0.00 0.54 -1.00 0.00 0.00 179.01 178.44 2wa1 n ARG 69 N -3.59 3.54 -1.38 2.33 1.74 -1.00 -4.95 116.66 113.35 2wa1 n ARG 69 Ca -0.03 -2.85 -0.01 0.00 -0.77 0.00 0.00 57.85 54.19 2wa1 n ARG 69 Cb 0.09 -1.84 -0.00 0.00 -1.02 0.00 0.00 32.46 29.69 2wa1 n ARG 69 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2wa1 n GLY 70 N 1.28 0.42 0.15 -0.13 0.00 -0.19 -4.96 105.19 101.76 2wa1 n GLY 70 Ca 0.26 -0.97 0.12 0.00 0.00 0.00 0.00 46.02 45.44 2wa1 n GLY 70 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2wa1 h GLY 71 N 0.00 0.00 -5.34 -0.02 0.00 -1.45 -3.39 103.07 92.86 2wa1 h GLY 71 Ca -0.03 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.27 2wa1 h GLY 71 CO 0.04 0.00 -0.16 0.54 0.00 0.00 0.00 176.54 176.96 2wa1 s VAL 72 N -3.16 -0.21 -0.48 4.60 0.11 -1.26 -0.44 120.40 119.55 2wa1 s VAL 72 Ca 0.08 0.05 -0.27 0.00 -2.93 0.00 0.00 61.98 58.91 2wa1 s VAL 72 Cb 0.09 -0.82 0.03 0.00 -1.53 0.00 0.00 36.38 34.15 2wa1 s VAL 72 CO 0.64 0.02 1.06 -0.70 -3.33 0.00 0.00 175.10 172.80 2wa1 s GLU 73 N 1.83 3.62 -0.40 1.54 2.12 -1.26 -4.80 118.70 121.35 2wa1 s GLU 73 Ca -0.08 0.37 -0.19 0.00 0.36 0.00 0.00 54.97 55.42 2wa1 s GLU 73 Cb -0.08 -3.93 0.01 0.00 0.26 0.00 0.00 34.13 30.40 2wa1 s GLU 73 CO -0.16 -1.36 0.58 -0.51 -0.54 0.00 0.00 175.26 173.27 2wa1 s LEU 74 N 4.23 4.48 0.17 2.70 1.43 -1.26 -4.60 118.68 125.83 2wa1 s LEU 74 Ca 0.43 -0.24 -0.21 0.00 -1.03 0.00 0.00 54.13 53.08 2wa1 s LEU 74 Cb -0.08 -2.65 0.06 0.00 0.03 0.00 0.00 46.19 43.54 2wa1 s LEU 74 CO 0.29 -0.65 0.58 -1.59 0.23 0.00 0.00 176.35 175.21 2wa1 s LYS 75 N 2.60 1.32 6.72 1.70 -2.85 -1.26 -4.04 119.74 123.92 2wa1 s LYS 75 Ca 0.20 -0.60 0.00 0.00 -1.00 0.00 0.00 55.97 54.58 2wa1 s LYS 75 Cb -0.15 0.57 0.00 0.00 -2.06 0.00 0.00 37.83 36.19 2wa1 s LYS 75 CO 0.16 -0.57 0.00 0.41 0.10 0.00 0.00 175.35 175.45 2wa1 n GLY 76 N -0.36 3.52 3.60 0.59 0.00 -0.04 -4.13 105.19 108.37 2wa1 n GLY 76 Ca -0.15 -0.05 -0.42 0.00 0.00 0.00 0.00 46.02 45.40 2wa1 n GLY 76 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2wa1 s THR 77 N 0.00 4.82 -0.21 2.61 2.01 -1.26 -0.44 115.64 123.17 2wa1 s THR 77 Ca 0.00 0.98 -0.07 0.00 0.31 0.00 0.00 61.69 62.91 2wa1 s THR 77 Cb 0.00 -4.13 -0.03 0.00 0.01 0.00 0.00 72.50 68.35 2wa1 s THR 77 CO 0.00 -0.28 0.05 -0.69 -0.69 0.00 0.00 174.62 173.01 2wa1 s VAL 78 N 2.90 4.46 -0.19 3.82 1.01 -0.37 0.14 120.40 132.18 2wa1 s VAL 78 Ca 0.30 -0.14 -0.09 0.00 0.00 0.00 0.00 61.98 62.05 2wa1 s VAL 78 Cb -0.14 -3.04 -0.05 0.00 0.00 0.00 0.00 36.38 33.16 2wa1 s VAL 78 CO 0.14 0.41 0.11 -0.69 0.00 0.00 0.00 175.10 175.07 2wa1 s VAL 79 N 0.92 5.23 -0.36 2.92 1.01 -0.48 -0.50 120.40 129.14 2wa1 s VAL 79 Ca 0.03 0.12 -0.04 0.00 0.00 0.00 0.00 61.98 62.10 2wa1 s VAL 79 Cb -0.14 -3.37 0.07 0.00 0.00 0.00 0.00 36.38 32.95 2wa1 s VAL 79 CO 0.03 0.46 0.11 -0.62 0.00 0.00 0.00 175.10 175.08 2wa1 s ASP 80 N 0.23 5.17 -0.23 3.32 2.15 -0.19 -0.19 116.67 126.93 2wa1 s ASP 80 Ca 0.07 -1.53 -0.18 0.00 0.43 0.00 0.00 52.55 51.34 2wa1 s ASP 80 Cb -0.11 -1.81 -0.03 0.00 -0.30 0.00 0.00 42.92 40.67 2wa1 s ASP 80 CO -0.01 -0.40 0.52 -0.76 -0.17 0.00 0.00 175.17 174.35 2wa1 s LEU 81 N 1.26 4.09 -0.57 -1.34 1.43 0.45 -1.46 118.68 122.55 2wa1 s LEU 81 Ca 0.01 0.59 -0.01 0.00 -1.03 0.00 0.00 54.13 53.69 2wa1 s LEU 81 Cb -0.21 -2.68 -0.01 0.00 0.03 0.00 0.00 46.19 43.32 2wa1 s LEU 81 CO -0.01 -0.24 0.48 0.61 0.23 0.00 0.00 176.35 177.42 2wa1 n GLY 82 N 4.16 0.01 0.28 -3.19 0.00 0.17 -3.80 105.19 102.82 2wa1 n GLY 82 Ca -0.04 -0.11 0.17 0.00 0.00 0.00 0.00 46.02 46.03 2wa1 n GLY 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wa1 n GLY 84 N -0.47 3.24 0.27 0.00 0.00 -1.26 -1.38 105.19 105.59 2wa1 n GLY 84 Ca -0.01 -0.19 0.12 0.00 0.00 0.00 0.00 46.02 45.94 2wa1 n GLY 84 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2wa1 h ARG 85 N 0.00 0.00 0.00 1.61 3.08 -1.80 -2.63 114.38 114.64 2wa1 h ARG 85 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2wa1 h ARG 85 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 2wa1 h ARG 85 CO 0.00 0.09 0.00 0.41 -1.07 0.00 0.00 179.97 179.40 2wa1 n GLY 86 N -0.94 1.32 0.36 0.04 0.00 -0.48 -0.29 105.19 105.21 2wa1 n GLY 86 Ca -0.02 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.10 2wa1 n GLY 86 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2wa1 h SER 87 N 0.00 0.58 0.29 1.61 4.64 -1.90 0.36 113.55 119.13 2wa1 h SER 87 Ca 0.00 0.02 -0.23 0.00 -0.47 0.00 0.00 61.79 61.11 2wa1 h SER 87 Cb 0.00 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 61.99 2wa1 h SER 87 CO 0.00 0.34 -0.94 -0.50 -0.87 0.00 0.00 176.83 174.86 2wa1 h TRP 88 N 0.64 0.66 -0.29 4.77 4.06 -1.85 -2.49 115.95 121.45 2wa1 h TRP 88 Ca 0.36 -0.36 -0.03 0.00 2.06 0.00 0.00 58.89 60.92 2wa1 h TRP 88 Cb 0.53 -0.08 -0.01 0.00 -1.00 0.00 0.00 29.16 28.60 2wa1 h TRP 88 CO -0.00 1.18 0.07 0.77 -3.56 0.00 0.00 178.44 176.89 2wa1 h SER 89 N 0.26 0.45 -0.98 -3.49 0.02 -1.64 -0.09 113.55 108.07 2wa1 h SER 89 Ca -0.08 -0.24 0.00 0.00 -0.84 0.00 0.00 61.79 60.63 2wa1 h SER 89 Cb 1.57 -0.12 -0.05 0.00 0.14 0.00 0.00 62.40 63.95 2wa1 h SER 89 CO 0.17 0.57 0.62 1.88 -1.14 0.00 0.00 176.83 178.92 2wa1 h TYR 90 N 0.30 1.26 0.20 3.45 0.05 -1.03 -0.02 116.97 121.19 2wa1 h TYR 90 Ca 0.09 0.01 -0.01 0.00 0.05 0.00 0.00 58.73 58.87 2wa1 h TYR 90 Cb 0.30 -0.42 0.00 0.00 1.01 0.00 0.00 36.73 37.62 2wa1 h TYR 90 CO 0.01 0.81 -0.09 -0.92 -1.05 0.00 0.00 178.16 176.92 2wa1 h TYR 91 N 1.34 -0.24 -0.52 4.88 3.20 -1.12 -2.87 116.97 121.64 2wa1 h TYR 91 Ca 0.35 -0.01 0.05 0.00 3.14 0.00 0.00 58.73 62.26 2wa1 h TYR 91 Cb -0.11 0.08 -0.05 0.00 1.54 0.00 0.00 36.73 38.20 2wa1 h TYR 91 CO 0.00 -0.04 0.26 0.00 -1.64 0.00 0.00 178.16 176.74 2wa1 h ALA 92 N 0.37 0.66 -0.08 1.82 0.00 -0.88 -2.45 119.26 118.70 2wa1 h ALA 92 Ca -0.03 0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.93 2wa1 h ALA 92 Cb 0.31 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 2wa1 h ALA 92 CO 0.04 -0.09 0.10 0.00 0.00 0.00 0.00 179.25 179.31 2wa1 h ALA 93 N 1.28 1.57 -0.00 0.00 0.00 -0.97 -1.27 119.26 119.88 2wa1 h ALA 93 Ca 0.23 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.14 2wa1 h ALA 93 Cb 0.14 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2wa1 h ALA 93 CO -0.16 -0.14 -0.26 -1.13 0.00 0.00 0.00 179.25 177.56 2wa1 n SER 94 N -3.68 0.41 -4.86 0.00 3.41 -0.93 -4.36 113.62 103.61 2wa1 n SER 94 Ca -0.01 -0.18 -0.36 0.00 -0.26 0.00 0.00 58.87 58.06 2wa1 n SER 94 Cb 0.20 -0.03 -0.06 0.00 -0.26 0.00 0.00 64.21 64.06 2wa1 n SER 94 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 2wa1 s GLN 95 N -2.84 3.76 0.28 4.33 -1.52 -0.48 -4.96 119.66 118.24 2wa1 s GLN 95 Ca 0.17 0.20 0.02 0.00 -1.95 0.00 0.00 55.36 53.79 2wa1 s GLN 95 Cb 0.19 -3.08 0.59 0.00 -0.22 0.00 0.00 33.01 30.49 2wa1 s GLN 95 CO 0.59 0.62 1.81 -1.00 -0.25 0.00 0.00 175.29 177.06 2wa1 h PRO 96 N 4.09 0.86 -0.02 2.91 0.13 -1.90 -2.74 132.00 135.34 2wa1 h PRO 96 Ca -0.50 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.58 2wa1 h PRO 96 Cb 1.20 -0.19 0.00 0.00 0.13 0.00 0.00 31.00 32.14 2wa1 h PRO 96 CO 0.64 0.57 -0.23 0.09 -0.23 0.00 0.00 178.00 178.84 2wa1 n ASN 97 N -4.69 1.73 -4.73 1.44 3.02 -1.26 -4.89 115.26 105.88 2wa1 n ASN 97 Ca 0.20 -1.37 -0.41 0.00 -0.03 0.00 0.00 54.58 52.96 2wa1 n ASN 97 Cb 0.42 0.19 -0.04 0.00 -0.61 0.00 0.00 39.78 39.74 2wa1 n ASN 97 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2wa1 s VAL 98 N -2.31 4.25 -0.13 2.41 1.01 -1.04 -0.86 120.40 123.72 2wa1 s VAL 98 Ca 0.26 1.86 0.05 0.00 0.00 0.00 0.00 61.98 64.15 2wa1 s VAL 98 Cb 0.19 -4.19 -0.12 0.00 0.00 0.00 0.00 36.38 32.27 2wa1 s VAL 98 CO 0.46 0.28 -0.06 0.54 0.00 0.00 0.00 175.10 176.33 2wa1 n ARG 99 N 2.76 1.11 -3.61 2.72 5.12 0.42 -4.79 116.66 120.39 2wa1 n ARG 99 Ca 0.03 0.05 -0.14 0.00 -1.93 0.00 0.00 57.85 55.86 2wa1 n ARG 99 Cb 0.48 -1.30 -0.06 0.00 -1.16 0.00 0.00 32.46 30.42 2wa1 n ARG 99 CO 0.00 0.00 0.00 -1.83 -1.93 0.00 0.00 177.63 173.87 2wa1 s GLU 100 N -2.29 0.97 -0.13 5.56 -1.05 -1.03 -4.93 118.70 115.80 2wa1 s GLU 100 Ca -0.14 -0.18 -0.00 0.00 -0.15 0.00 0.00 54.97 54.50 2wa1 s GLU 100 Cb 0.04 0.44 0.02 0.00 -0.44 0.00 0.00 34.13 34.20 2wa1 s GLU 100 CO 0.40 -0.33 -0.10 0.08 0.95 0.00 0.00 175.26 176.26 2wa1 s VAL 101 N -2.12 1.24 -0.37 1.83 1.01 0.06 -1.24 120.40 120.81 2wa1 s VAL 101 Ca -0.07 -0.43 -0.10 0.00 0.00 0.00 0.00 61.98 61.38 2wa1 s VAL 101 Cb -0.01 -1.22 0.04 0.00 0.00 0.00 0.00 36.38 35.19 2wa1 s VAL 101 CO 0.01 0.40 0.19 -0.54 0.00 0.00 0.00 175.10 175.15 2wa1 s LYS 102 N 1.62 2.74 -0.11 2.72 1.02 0.35 -0.47 119.74 127.62 2wa1 s LYS 102 Ca 0.05 -1.15 -0.00 0.00 0.02 0.00 0.00 55.97 54.88 2wa1 s LYS 102 Cb -0.13 -3.67 -0.03 0.00 -0.52 0.00 0.00 37.83 33.49 2wa1 s LYS 102 CO -0.09 -0.72 -0.08 0.00 -0.92 0.00 0.00 175.35 173.54 2wa1 s ALA 103 N 1.50 2.88 -0.02 5.17 0.00 -0.11 -1.02 121.76 130.16 2wa1 s ALA 103 Ca 0.01 -0.88 0.02 0.00 0.00 0.00 0.00 51.96 51.11 2wa1 s ALA 103 Cb -0.20 -1.30 0.00 0.00 0.00 0.00 0.00 23.12 21.63 2wa1 s ALA 103 CO 0.05 0.40 -0.07 0.71 0.00 0.00 0.00 175.76 176.85 2wa1 s TYR 104 N -0.21 0.74 0.18 0.00 2.02 -0.54 -0.71 117.35 118.84 2wa1 s TYR 104 Ca 0.02 -0.17 -0.15 0.00 -0.37 0.00 0.00 57.07 56.40 2wa1 s TYR 104 Cb -0.13 -0.54 0.02 0.00 -0.40 0.00 0.00 41.96 40.90 2wa1 s TYR 104 CO 0.03 -0.08 0.45 -0.08 -1.57 0.00 0.00 175.55 174.30 2wa1 s THR 105 N 0.21 0.04 -0.02 -0.71 -1.32 -0.47 0.42 115.64 113.79 2wa1 s THR 105 Ca -0.03 -0.94 -0.17 0.00 -1.21 0.00 0.00 61.69 59.34 2wa1 s THR 105 Cb -0.07 -1.63 -0.09 0.00 -1.51 0.00 0.00 72.50 69.19 2wa1 s THR 105 CO 0.00 -0.18 0.73 0.25 -2.21 0.00 0.00 174.62 173.21 2wa1 h LEU 106 N 2.30 -0.51 0.96 9.08 5.85 -1.82 -1.70 115.31 129.48 2wa1 h LEU 106 Ca -0.30 0.02 -0.25 0.00 0.84 0.00 0.00 57.88 58.19 2wa1 h LEU 106 Cb 1.25 0.13 -0.07 0.00 0.37 0.00 0.00 40.66 42.34 2wa1 h LEU 106 CO 0.41 -0.13 -0.26 0.61 -0.34 0.00 0.00 178.44 178.73 2wa1 n GLY 107 N 0.16 0.88 1.15 3.75 0.00 -1.24 -0.42 105.19 109.48 2wa1 n GLY 107 Ca -0.07 -0.42 -0.06 0.00 0.00 0.00 0.00 46.02 45.47 2wa1 n GLY 107 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2wa1 n THR 108 N -3.06 0.00 -1.68 2.61 -2.24 -1.26 -4.69 114.28 103.95 2wa1 n THR 108 Ca -0.13 -0.58 -0.50 0.00 -2.27 0.00 0.00 64.05 60.57 2wa1 n THR 108 Cb 0.47 -0.82 -0.05 0.00 -2.10 0.00 0.00 70.33 67.83 2wa1 n THR 108 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 2wa1 n SER 109 N -2.74 3.22 0.00 3.42 2.88 -1.26 -0.17 113.62 118.97 2wa1 n SER 109 Ca 0.04 1.00 0.00 0.00 -1.33 0.00 0.00 58.87 58.58 2wa1 n SER 109 Cb 0.18 -1.33 0.00 0.00 -0.75 0.00 0.00 64.21 62.31 2wa1 n SER 109 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2wa1 n GLY 110 N 4.28 2.63 3.91 0.46 0.00 -1.26 -5.06 105.19 110.16 2wa1 n GLY 110 Ca 0.23 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.02 2wa1 n GLY 110 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2wa1 s HIS 111 N -2.64 3.35 0.24 1.61 4.02 0.76 -5.08 115.29 117.54 2wa1 s HIS 111 Ca 0.00 -0.00 -0.30 0.00 1.02 0.00 0.00 55.06 55.78 2wa1 s HIS 111 Cb 0.00 -1.55 -0.09 0.00 -1.02 0.00 0.00 32.58 29.92 2wa1 s HIS 111 CO 0.00 0.49 1.24 -1.21 1.02 0.00 0.00 174.74 176.27 2wa1 s GLU 112 N -3.65 4.46 0.12 1.40 0.41 -1.26 -4.44 118.70 115.74 2wa1 s GLU 112 Ca 0.33 1.99 0.03 0.00 -0.41 0.00 0.00 54.97 56.91 2wa1 s GLU 112 Cb -0.09 -3.18 -0.04 0.00 -1.78 0.00 0.00 34.13 29.03 2wa1 s GLU 112 CO 0.27 -0.10 0.14 0.15 -0.49 0.00 0.00 175.26 175.23 2wa1 s LYS 113 N -0.72 3.02 0.15 1.61 1.02 -1.26 -3.70 119.74 119.86 2wa1 s LYS 113 Ca 0.52 -0.72 -0.34 0.00 0.02 0.00 0.00 55.97 55.45 2wa1 s LYS 113 Cb -0.35 -2.76 -0.15 0.00 -0.52 0.00 0.00 37.83 34.05 2wa1 s LYS 113 CO 0.41 0.54 1.38 -2.30 -0.92 0.00 0.00 175.35 174.46 2wa1 n PRO 114 N 0.03 1.59 -3.48 -1.68 -0.02 -0.99 -3.67 135.00 126.78 2wa1 n PRO 114 Ca -0.08 0.57 -0.41 0.00 -2.02 0.00 0.00 63.50 61.56 2wa1 n PRO 114 Cb 0.53 -2.22 -0.10 0.00 -0.02 0.00 0.00 33.50 31.69 2wa1 n PRO 114 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 2wa1 s ARG 115 N 0.27 3.33 -0.53 -0.52 6.06 0.60 -4.95 118.95 123.21 2wa1 s ARG 115 Ca 0.78 -0.73 -0.25 0.00 -2.50 0.00 0.00 55.73 53.03 2wa1 s ARG 115 Cb -0.80 -3.87 0.04 0.00 0.06 0.00 0.00 34.95 30.38 2wa1 s ARG 115 CO 0.46 -0.56 0.96 -0.51 -2.50 0.00 0.00 175.30 173.14 2wa1 s LEU 116 N 1.77 4.02 0.35 -0.88 1.02 -1.26 -4.87 118.68 118.84 2wa1 s LEU 116 Ca 0.07 -0.19 0.05 0.00 0.02 0.00 0.00 54.13 54.08 2wa1 s LEU 116 Cb -0.18 -2.95 -0.03 0.00 0.02 0.00 0.00 46.19 43.05 2wa1 s LEU 116 CO 0.11 -1.20 0.20 0.68 0.02 0.00 0.00 176.35 176.15 2wa1 s VAL 117 N 3.98 0.28 -0.36 -1.59 -7.23 -1.26 -4.88 120.40 109.33 2wa1 s VAL 117 Ca 0.33 -2.00 0.12 0.00 -1.81 0.00 0.00 61.98 58.62 2wa1 s VAL 117 Cb -0.11 -2.44 0.45 0.00 0.56 0.00 0.00 36.38 34.84 2wa1 s VAL 117 CO 0.22 0.00 1.06 -0.62 -0.31 0.00 0.00 175.10 175.45 2wa1 n GLU 118 N -0.72 2.47 -1.13 4.82 1.02 -0.64 -4.89 120.64 121.58 2wa1 n GLU 118 Ca 0.01 -3.92 -0.31 0.00 -0.02 0.00 0.00 57.16 52.92 2wa1 n GLU 118 Cb 0.64 -1.83 0.11 0.00 -0.02 0.00 0.00 31.44 30.34 2wa1 n GLU 118 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 2wa1 s THR 119 N -4.38 3.02 -0.18 2.62 -4.23 -1.26 -2.28 115.64 108.94 2wa1 s THR 119 Ca 0.39 0.33 -0.39 0.00 -1.18 0.00 0.00 61.69 60.84 2wa1 s THR 119 Cb 0.41 -2.71 -0.15 0.00 1.34 0.00 0.00 72.50 71.39 2wa1 s THR 119 CO -0.06 -0.43 1.68 0.33 -0.54 0.00 0.00 174.62 175.60 2wa1 n PHE 120 N -3.68 1.99 -0.89 3.99 7.35 -0.30 -1.34 117.46 124.58 2wa1 n PHE 120 Ca 0.10 0.49 0.00 0.00 -0.76 0.00 0.00 57.45 57.28 2wa1 n PHE 120 Cb 0.53 -2.46 0.00 0.00 0.35 0.00 0.00 39.48 37.90 2wa1 n PHE 120 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2wa1 n GLY 121 N 3.90 0.52 0.36 7.13 0.00 -0.37 -3.31 105.19 113.43 2wa1 n GLY 121 Ca 0.24 -0.28 0.18 0.00 0.00 0.00 0.00 46.02 46.17 2wa1 n GLY 121 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 173.32 173.43 2wa1 h TRP 122 N 0.00 0.01 0.00 1.61 5.08 -1.36 -1.22 115.95 120.06 2wa1 h TRP 122 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 2wa1 h TRP 122 Cb 0.00 -0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.16 2wa1 h TRP 122 CO 0.00 0.00 0.00 0.27 -1.28 0.00 0.00 178.44 177.43 2wa1 n ASN 123 N -4.40 0.00 -0.00 0.11 6.94 -1.26 -2.24 115.26 114.41 2wa1 n ASN 123 Ca 0.08 0.47 0.14 0.00 -0.02 0.00 0.00 54.58 55.24 2wa1 n ASN 123 Cb 0.53 -0.49 0.55 0.00 -2.36 0.00 0.00 39.78 38.01 2wa1 n ASN 123 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 2wa1 n LEU 124 N -1.49 0.12 -4.74 -4.53 4.77 -0.46 -4.84 117.00 105.84 2wa1 n LEU 124 Ca 0.06 0.37 -0.37 0.00 -0.03 0.00 0.00 56.01 56.03 2wa1 n LEU 124 Cb 0.26 -0.43 -0.07 0.00 -2.33 0.00 0.00 43.42 40.86 2wa1 n LEU 124 CO 0.21 0.03 0.06 -0.63 -1.33 0.00 0.00 177.39 175.73 2wa1 s ILE 125 N -2.97 5.24 -0.26 -0.08 1.01 -0.95 -0.76 121.20 122.44 2wa1 s ILE 125 Ca 0.14 0.71 -0.06 0.00 0.00 0.00 0.00 60.65 61.45 2wa1 s ILE 125 Cb 0.19 -3.70 -0.00 0.00 0.01 0.00 0.00 42.46 38.96 2wa1 s ILE 125 CO 0.56 0.39 0.04 -0.89 0.00 0.00 0.00 174.94 175.04 2wa1 s THR 126 N 0.36 3.81 -0.15 2.92 2.01 0.38 -4.97 115.64 120.01 2wa1 s THR 126 Ca 0.20 -0.56 -0.15 0.00 0.31 0.00 0.00 61.69 61.50 2wa1 s THR 126 Cb -0.14 -2.87 -0.05 0.00 0.01 0.00 0.00 72.50 69.46 2wa1 s THR 126 CO 0.07 0.23 0.33 -0.36 -0.69 0.00 0.00 174.62 174.20 2wa1 s PHE 127 N 1.51 3.48 -0.13 4.92 0.08 -1.26 -0.93 117.98 125.64 2wa1 s PHE 127 Ca 0.04 0.66 -0.00 0.00 0.12 0.00 0.00 56.93 57.75 2wa1 s PHE 127 Cb -0.16 -2.37 0.03 0.00 -0.57 0.00 0.00 43.02 39.95 2wa1 s PHE 127 CO 0.01 0.25 -0.08 0.21 -0.10 0.00 0.00 175.22 175.50 2wa1 s LYS 128 N 0.42 1.63 0.57 0.44 2.20 0.11 -4.98 119.74 120.13 2wa1 s LYS 128 Ca 0.18 -0.36 0.04 0.00 -0.36 0.00 0.00 55.97 55.48 2wa1 s LYS 128 Cb -0.13 -1.76 0.06 0.00 -1.51 0.00 0.00 37.83 34.49 2wa1 s LYS 128 CO 0.05 -0.30 0.78 -1.12 -0.36 0.00 0.00 175.35 174.41 2wa1 s SER 129 N 1.66 5.10 -1.58 1.43 0.01 -1.26 -1.37 113.70 117.70 2wa1 s SER 129 Ca 0.04 -0.40 0.00 0.00 1.31 0.00 0.00 55.95 56.91 2wa1 s SER 129 Cb -0.13 -0.33 0.00 0.00 0.21 0.00 0.00 66.02 65.76 2wa1 s SER 129 CO -0.09 -1.27 0.00 0.29 0.41 0.00 0.00 173.24 172.58 2wa1 n LYS 130 N -2.32 -1.44 -4.45 12.44 5.02 0.44 -4.87 118.16 122.97 2wa1 n LYS 130 Ca 0.12 0.89 -0.34 0.00 -2.02 0.00 0.00 58.31 56.96 2wa1 n LYS 130 Cb 0.60 -5.40 -0.14 0.00 -0.02 0.00 0.00 35.03 30.07 2wa1 n LYS 130 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2wa1 s VAL 131 N -2.90 3.13 -0.55 -0.18 1.01 -0.69 -4.96 120.40 115.27 2wa1 s VAL 131 Ca 0.00 -0.61 -0.20 0.00 0.00 0.00 0.00 61.98 61.16 2wa1 s VAL 131 Cb 0.00 -2.35 0.06 0.00 0.00 0.00 0.00 36.38 34.09 2wa1 s VAL 131 CO 0.00 0.49 0.74 -0.62 0.00 0.00 0.00 175.10 175.72 2wa1 s ASP 132 N 0.74 6.23 0.48 3.32 -1.08 -1.26 -2.75 116.67 122.36 2wa1 s ASP 132 Ca -0.05 -0.90 0.32 0.00 -0.52 0.00 0.00 52.55 51.40 2wa1 s ASP 132 Cb -0.15 -2.34 1.35 0.00 -1.46 0.00 0.00 42.92 40.32 2wa1 s ASP 132 CO 0.02 -1.06 1.94 -0.37 0.52 0.00 0.00 175.17 176.21 2wa1 h VAL 133 N 5.92 0.00 0.00 1.11 -1.51 -1.93 -0.45 116.25 119.38 2wa1 h VAL 133 Ca -0.28 -0.38 0.00 0.00 -1.23 0.00 0.00 66.70 64.81 2wa1 h VAL 133 Cb 1.09 1.30 0.00 0.00 -2.13 0.00 0.00 31.29 31.55 2wa1 h VAL 133 CO 1.04 0.00 0.00 0.35 -1.23 0.00 0.00 177.57 177.73 2wa1 n THR 134 N -2.84 0.73 0.21 7.19 -2.24 -1.26 -2.62 114.28 113.45 2wa1 n THR 134 Ca 0.01 0.12 0.04 0.00 -2.27 0.00 0.00 64.05 61.95 2wa1 n THR 134 Cb 0.26 -0.93 0.06 0.00 -2.10 0.00 0.00 70.33 67.62 2wa1 n THR 134 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2wa1 n LYS 135 N -1.92 1.00 -3.47 -0.78 4.01 -0.19 -4.97 118.16 111.84 2wa1 n LYS 135 Ca 0.04 -1.28 -0.37 0.00 -0.51 0.00 0.00 58.31 56.18 2wa1 n LYS 135 Cb 0.26 -1.18 -0.06 0.00 -0.51 0.00 0.00 35.03 33.54 2wa1 n LYS 135 CO 0.00 0.00 0.00 1.41 -1.11 0.00 0.00 177.40 177.70 2wa1 s MET 136 N -0.80 4.13 0.44 1.97 1.75 -1.08 -5.06 119.30 120.66 2wa1 s MET 136 Ca 0.12 0.30 -0.22 0.00 -1.25 0.00 0.00 55.69 54.65 2wa1 s MET 136 Cb 0.08 -3.35 -0.09 0.00 2.84 0.00 0.00 34.83 34.31 2wa1 s MET 136 CO 0.11 0.40 1.01 -1.21 -0.65 0.00 0.00 175.02 174.68 2wa1 s GLU 137 N -0.09 4.04 0.87 4.11 0.41 -1.26 -5.00 118.70 121.78 2wa1 s GLU 137 Ca 0.22 1.33 -0.11 0.00 -0.41 0.00 0.00 54.97 56.00 2wa1 s GLU 137 Cb -0.15 -2.25 0.12 0.00 -1.78 0.00 0.00 34.13 30.06 2wa1 s GLU 137 CO 0.09 -0.22 1.11 -1.25 -0.49 0.00 0.00 175.26 174.50 2wa1 s PRO 138 N -2.99 1.43 0.26 0.39 0.04 -1.26 -5.07 135.00 127.79 2wa1 s PRO 138 Ca 0.63 1.29 0.01 0.00 0.04 0.00 0.00 61.00 62.97 2wa1 s PRO 138 Cb -0.16 -1.79 -0.00 0.00 0.04 0.00 0.00 34.50 32.58 2wa1 s PRO 138 CO 0.20 -2.26 0.31 1.97 0.04 0.00 0.00 177.00 177.26 2wa1 n PHE 139 N -3.95 -0.96 -1.84 0.56 1.16 -1.26 -5.09 117.46 106.07 2wa1 n PHE 139 Ca 0.10 -1.91 -0.42 0.00 -1.87 0.00 0.00 57.45 53.35 2wa1 n PHE 139 Cb 0.53 0.34 -0.03 0.00 -1.61 0.00 0.00 39.48 38.71 2wa1 n PHE 139 CO 0.00 0.00 0.00 -1.14 -1.87 0.00 0.00 176.76 173.75 2wa1 s GLN 140 N -2.77 4.17 -0.06 3.97 2.00 -1.26 -4.86 119.66 120.86 2wa1 s GLN 140 Ca 0.25 2.44 -0.13 0.00 -2.00 0.00 0.00 55.36 55.91 2wa1 s GLN 140 Cb 0.00 -3.59 0.03 0.00 0.80 0.00 0.00 33.01 30.25 2wa1 s GLN 140 CO 0.18 -0.78 0.32 0.00 -0.50 0.00 0.00 175.29 174.51 2wa1 s ALA 141 N 2.66 -0.79 -0.31 1.58 0.00 -1.26 -4.99 121.76 118.65 2wa1 s ALA 141 Ca 0.77 0.57 0.23 0.00 0.00 0.00 0.00 51.96 53.52 2wa1 s ALA 141 Cb -0.42 -0.18 -0.01 0.00 0.00 0.00 0.00 23.12 22.51 2wa1 s ALA 141 CO 0.34 -0.22 0.98 -0.25 0.00 0.00 0.00 175.76 176.61 2wa1 n ASP 142 N 1.93 0.67 -3.75 0.00 8.00 0.12 -4.85 116.55 118.67 2wa1 n ASP 142 Ca -0.18 0.17 -0.14 0.00 0.71 0.00 0.00 54.79 55.35 2wa1 n ASP 142 Cb 0.57 0.71 -0.15 0.00 -0.02 0.00 0.00 41.12 42.23 2wa1 n ASP 142 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2wa1 s THR 143 N -3.34 -0.05 -0.26 -3.53 2.01 -0.88 -2.10 115.64 107.48 2wa1 s THR 143 Ca -0.00 0.19 -0.02 0.00 0.31 0.00 0.00 61.69 62.17 2wa1 s THR 143 Cb 0.11 -0.23 0.03 0.00 0.01 0.00 0.00 72.50 72.43 2wa1 s THR 143 CO 0.80 0.08 -0.04 -0.69 -0.69 0.00 0.00 174.62 174.08 2wa1 s VAL 144 N 1.17 2.90 0.01 3.82 1.01 0.06 -1.38 120.40 127.99 2wa1 s VAL 144 Ca -0.09 -1.15 0.03 0.00 0.00 0.00 0.00 61.98 60.77 2wa1 s VAL 144 Cb -0.12 -2.54 -0.03 0.00 0.00 0.00 0.00 36.38 33.69 2wa1 s VAL 144 CO -0.06 0.10 -0.05 -0.76 0.00 0.00 0.00 175.10 174.33 2wa1 s LEU 145 N 1.30 3.26 -0.29 3.92 1.43 0.74 -2.09 118.68 126.95 2wa1 s LEU 145 Ca -0.02 -0.12 -0.02 0.00 -1.03 0.00 0.00 54.13 52.94 2wa1 s LEU 145 Cb -0.18 -1.88 0.18 0.00 0.03 0.00 0.00 46.19 44.34 2wa1 s LEU 145 CO -0.03 0.27 0.58 0.00 0.23 0.00 0.00 176.35 177.40 2wa1 n ASP 147 N 5.42 5.80 -4.79 0.00 2.03 -1.25 -0.54 116.55 123.23 2wa1 n ASP 147 Ca -0.02 -3.76 -0.39 0.00 0.52 0.00 0.00 54.79 51.14 2wa1 n ASP 147 Cb 0.51 -0.62 -0.06 0.00 -0.72 0.00 0.00 41.12 40.23 2wa1 n ASP 147 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2wa1 s ILE 148 N -5.04 4.52 0.00 5.18 1.01 -1.26 -4.92 121.20 120.68 2wa1 s ILE 148 Ca 0.53 1.50 0.00 0.00 0.00 0.00 0.00 60.65 62.68 2wa1 s ILE 148 Cb 0.43 -4.04 0.00 0.00 0.01 0.00 0.00 42.46 38.86 2wa1 s ILE 148 CO -0.13 0.52 0.00 0.61 0.00 0.00 0.00 174.94 175.95 2wa1 n GLY 149 N 1.61 2.37 3.70 6.18 0.00 -1.26 -4.71 105.19 113.07 2wa1 n GLY 149 Ca -0.07 0.10 -0.36 0.00 0.00 0.00 0.00 46.02 45.69 2wa1 n GLY 149 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2wa1 s GLU 150 N -0.60 4.14 0.54 1.61 2.12 -1.26 -5.03 118.70 120.22 2wa1 s GLU 150 Ca 0.00 -0.20 -0.22 0.00 0.36 0.00 0.00 54.97 54.91 2wa1 s GLU 150 Cb 0.00 -3.48 -0.06 0.00 0.26 0.00 0.00 34.13 30.85 2wa1 s GLU 150 CO 0.00 0.18 1.26 0.43 -0.54 0.00 0.00 175.26 176.59 2wa1 n SER 151 N 3.91 2.26 -3.85 -1.70 7.64 -1.26 -4.96 113.62 115.66 2wa1 n SER 151 Ca -0.15 0.96 -0.12 0.00 1.01 0.00 0.00 58.87 60.57 2wa1 n SER 151 Cb 0.52 -1.52 -0.13 0.00 -1.01 0.00 0.00 64.21 62.06 2wa1 n SER 151 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 2wa1 s ASN 152 N -0.92 -0.06 0.61 6.43 3.84 -1.26 -5.04 114.94 118.54 2wa1 s ASN 152 Ca 0.71 0.12 0.31 0.00 0.21 0.00 0.00 52.86 54.21 2wa1 s ASN 152 Cb -0.43 0.12 1.74 0.00 -0.55 0.00 0.00 41.25 42.12 2wa1 s ASN 152 CO 0.50 -0.02 2.09 -0.65 -2.79 0.00 0.00 177.10 176.23 2wa1 h PRO 153 N 6.09 0.00 -4.64 0.43 0.11 -2.01 -3.40 132.00 128.58 2wa1 h PRO 153 Ca -0.25 0.00 -0.69 0.00 0.11 0.00 0.00 66.00 65.17 2wa1 h PRO 153 Cb 1.20 0.00 -0.20 0.00 0.11 0.00 0.00 31.00 32.12 2wa1 h PRO 153 CO 0.47 0.00 -0.47 0.99 -0.21 0.00 0.00 178.00 178.79 2wa1 s THR 154 N -4.49 5.24 0.42 -1.15 2.01 -1.26 -4.97 115.64 111.44 2wa1 s THR 154 Ca -0.04 -0.39 0.09 0.00 0.31 0.00 0.00 61.69 61.66 2wa1 s THR 154 Cb 0.14 -3.77 0.28 0.00 0.01 0.00 0.00 72.50 69.16 2wa1 s THR 154 CO 0.49 -0.11 2.05 0.00 -0.69 0.00 0.00 174.62 176.36 2wa1 h ALA 155 N 8.53 1.78 -0.15 7.40 0.00 -2.00 -2.02 119.26 132.81 2wa1 h ALA 155 Ca -0.30 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.50 2wa1 h ALA 155 Cb 1.14 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 2wa1 h ALA 155 CO 0.67 0.18 -0.31 0.00 0.00 0.00 0.00 179.25 179.79 2wa1 h ALA 156 N 1.75 1.20 -0.16 0.00 0.00 -1.95 0.32 119.26 120.42 2wa1 h ALA 156 Ca 0.16 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 2wa1 h ALA 156 Cb 0.05 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 2wa1 h ALA 156 CO -0.04 0.53 0.06 0.28 0.00 0.00 0.00 179.25 180.08 2wa1 h VAL 157 N 0.26 1.15 -0.84 0.00 2.07 -1.76 -1.84 116.25 115.29 2wa1 h VAL 157 Ca 0.03 -0.46 -0.02 0.00 0.82 0.00 0.00 66.70 67.08 2wa1 h VAL 157 Cb 0.68 1.16 -0.04 0.00 -1.52 0.00 0.00 31.29 31.58 2wa1 h VAL 157 CO 0.05 0.14 0.45 -0.33 0.02 0.00 0.00 177.57 177.91 2wa1 h GLU 158 N 0.10 1.18 -0.48 1.57 5.08 -1.24 -1.67 114.58 119.12 2wa1 h GLU 158 Ca 0.05 -0.14 -0.04 0.00 -1.00 0.00 0.00 59.36 58.23 2wa1 h GLU 158 Cb 0.17 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.17 2wa1 h GLU 158 CO -0.00 0.87 0.14 0.00 -1.00 0.00 0.00 179.01 179.02 2wa1 h ALA 159 N 1.32 0.63 -0.61 3.43 0.00 -0.85 0.63 119.26 123.80 2wa1 h ALA 159 Ca 0.30 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 2wa1 h ALA 159 Cb 0.04 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 2wa1 h ALA 159 CO -0.05 0.29 0.37 1.03 0.00 0.00 0.00 179.25 180.89 2wa1 h SER 160 N 0.64 0.74 -0.26 0.00 0.87 -1.10 0.09 113.55 114.53 2wa1 h SER 160 Ca 0.15 -0.06 -0.13 0.00 -1.23 0.00 0.00 61.79 60.53 2wa1 h SER 160 Cb 0.28 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 62.04 2wa1 h SER 160 CO -0.00 0.58 -0.29 0.03 -0.53 0.00 0.00 176.83 176.62 2wa1 h ARG 161 N 0.83 0.76 -0.26 2.24 3.08 -1.04 -1.97 114.38 118.02 2wa1 h ARG 161 Ca 0.22 -0.34 -0.03 0.00 0.07 0.00 0.00 59.98 59.91 2wa1 h ARG 161 Cb -0.02 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.00 2wa1 h ARG 161 CO -0.04 0.95 0.06 1.15 -1.07 0.00 0.00 179.97 181.02 2wa1 h THR 162 N 0.65 1.21 -0.73 2.04 2.02 -0.55 -1.77 112.91 115.79 2wa1 h THR 162 Ca 0.08 -0.70 0.06 0.00 0.77 0.00 0.00 66.41 66.62 2wa1 h THR 162 Cb 0.81 1.19 -0.06 0.00 -1.74 0.00 0.00 68.15 68.35 2wa1 h THR 162 CO 0.07 0.23 0.42 -0.07 0.37 0.00 0.00 175.52 176.54 2wa1 h LEU 163 N 0.24 0.64 -0.13 2.58 3.38 -0.93 0.50 115.31 121.58 2wa1 h LEU 163 Ca 0.08 0.03 0.03 0.00 0.09 0.00 0.00 57.88 58.10 2wa1 h LEU 163 Cb 0.29 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 2wa1 h LEU 163 CO 0.00 0.41 -0.03 0.74 0.09 0.00 0.00 178.44 179.66 2wa1 h THR 164 N 0.77 0.88 -0.20 0.22 2.02 -1.13 -0.62 112.91 114.85 2wa1 h THR 164 Ca 0.32 -0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.53 2wa1 h THR 164 Cb 0.18 0.87 -0.03 0.00 -1.74 0.00 0.00 68.15 67.43 2wa1 h THR 164 CO -0.18 0.00 0.01 0.58 0.37 0.00 0.00 175.52 176.30 2wa1 h VAL 165 N 0.01 0.87 -0.43 3.16 2.07 -0.83 -2.04 116.25 119.07 2wa1 h VAL 165 Ca 0.06 -0.03 -0.04 0.00 0.82 0.00 0.00 66.70 67.51 2wa1 h VAL 165 Cb 0.09 0.78 -0.02 0.00 -1.52 0.00 0.00 31.29 30.63 2wa1 h VAL 165 CO -0.13 0.01 0.08 -0.07 0.02 0.00 0.00 177.57 177.49 2wa1 h LEU 166 N 0.08 0.60 -0.32 2.57 3.38 -0.68 0.18 115.31 121.12 2wa1 h LEU 166 Ca 0.09 -0.10 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 2wa1 h LEU 166 Cb 0.11 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 2wa1 h LEU 166 CO -0.15 0.61 0.07 -1.13 0.09 0.00 0.00 178.44 177.93 2wa1 h ASN 167 N 0.62 0.50 -0.28 -0.43 -1.24 -0.94 0.76 115.58 114.57 2wa1 h ASN 167 Ca 0.14 -0.24 -0.00 0.00 0.71 0.00 0.00 56.30 56.90 2wa1 h ASN 167 Cb 0.27 -0.13 -0.01 0.00 0.73 0.00 0.00 38.32 39.18 2wa1 h ASN 167 CO 0.00 0.61 0.17 0.58 -1.29 0.00 0.00 177.43 177.50 2wa1 h VAL 168 N 0.36 1.11 -0.97 2.57 2.07 -0.94 -3.03 116.25 117.41 2wa1 h VAL 168 Ca 0.10 -0.26 0.01 0.00 0.82 0.00 0.00 66.70 67.38 2wa1 h VAL 168 Cb 0.32 0.77 -0.05 0.00 -1.52 0.00 0.00 31.29 30.81 2wa1 h VAL 168 CO 0.00 0.10 0.64 0.40 0.02 0.00 0.00 177.57 178.74 2wa1 h ILE 169 N 0.35 1.24 -0.91 4.57 1.08 -0.44 -2.48 117.51 120.92 2wa1 h ILE 169 Ca 0.10 -0.45 0.06 0.00 -0.39 0.00 0.00 64.86 64.18 2wa1 h ILE 169 Cb 0.02 -0.18 -0.06 0.00 -3.07 0.00 0.00 36.82 33.54 2wa1 h ILE 169 CO -0.02 0.24 0.59 0.28 -0.69 0.00 0.00 178.15 178.55 2wa1 h SER 170 N 1.30 0.93 -0.11 1.72 0.02 -0.74 -0.81 113.55 115.86 2wa1 h SER 170 Ca 0.36 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.31 2wa1 h SER 170 Cb -0.13 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.21 2wa1 h SER 170 CO -0.08 0.61 0.07 0.03 -1.14 0.00 0.00 176.83 176.32 2wa1 h ARG 171 N 1.06 0.15 -0.98 3.45 3.08 -1.34 0.46 114.38 120.26 2wa1 h ARG 171 Ca 0.38 -0.01 0.05 0.00 0.07 0.00 0.00 59.98 60.47 2wa1 h ARG 171 Cb 0.14 -0.03 -0.06 0.00 0.08 0.00 0.00 29.97 30.10 2wa1 h ARG 171 CO -0.14 0.10 0.64 -1.49 -1.07 0.00 0.00 179.97 178.01 2wa1 h TRP 172 N 0.15 1.19 0.04 3.04 4.06 -1.18 -0.54 115.95 122.70 2wa1 h TRP 172 Ca 0.04 0.03 -0.23 0.00 2.06 0.00 0.00 58.89 60.80 2wa1 h TRP 172 Cb -0.02 -0.39 -0.00 0.00 -1.00 0.00 0.00 29.16 27.75 2wa1 h TRP 172 CO -0.07 0.66 -1.00 -0.07 -3.56 0.00 0.00 178.44 174.40 2wa1 h LEU 173 N 1.20 0.35 -0.37 -4.49 3.38 -0.94 -1.11 115.31 113.33 2wa1 h LEU 173 Ca 0.40 -0.31 -0.06 0.00 0.09 0.00 0.00 57.88 58.00 2wa1 h LEU 173 Cb 0.07 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 2wa1 h LEU 173 CO -0.14 1.16 0.01 -0.08 0.09 0.00 0.00 178.44 179.48 2wa1 h GLU 174 N 0.12 0.65 -0.41 1.13 4.57 -0.74 -3.22 114.58 116.68 2wa1 h GLU 174 Ca -0.07 -0.20 -0.02 0.00 -1.18 0.00 0.00 59.36 57.88 2wa1 h GLU 174 Cb 1.67 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 30.18 2wa1 h GLU 174 CO 0.16 0.75 0.17 -0.92 -1.18 0.00 0.00 179.01 177.99 2wa1 h TYR 175 N 0.47 0.61 -3.44 0.92 3.20 -1.03 -3.36 116.97 114.34 2wa1 h TYR 175 Ca 0.11 -0.04 -0.73 0.00 3.14 0.00 0.00 58.73 61.21 2wa1 h TYR 175 Cb 0.45 -0.18 -0.33 0.00 1.54 0.00 0.00 36.73 38.20 2wa1 h TYR 175 CO 0.04 0.53 -0.02 -0.80 -1.64 0.00 0.00 178.16 176.27 2wa1 s ASN 176 N -5.84 6.19 0.01 -2.11 0.01 -0.43 -5.02 114.94 107.76 2wa1 s ASN 176 Ca -0.13 -3.50 -0.35 0.00 -0.71 0.00 0.00 52.86 48.17 2wa1 s ASN 176 Cb 0.10 -1.98 -0.14 0.00 0.41 0.00 0.00 41.25 39.64 2wa1 s ASN 176 CO 0.75 -0.26 1.66 0.00 -1.51 0.00 0.00 177.10 177.75 2wa1 n GLN 177 N 2.69 1.88 -0.99 -0.60 6.02 -1.25 -1.65 117.38 123.48 2wa1 n GLN 177 Ca 0.19 0.69 0.00 0.00 -0.01 0.00 0.00 57.00 57.87 2wa1 n GLN 177 Cb 0.38 -2.45 0.00 0.00 1.02 0.00 0.00 30.24 29.19 2wa1 n GLN 177 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2wa1 n GLY 178 N 3.70 0.40 3.75 1.08 0.00 -1.26 -5.01 105.19 107.85 2wa1 n GLY 178 Ca 0.20 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.88 2wa1 n GLY 178 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wa1 s GLY 180 N -1.98 2.35 0.05 0.00 0.00 -0.89 -4.95 107.32 101.90 2wa1 s GLY 180 Ca 0.74 0.50 -0.17 0.00 0.00 0.00 0.00 44.72 45.78 2wa1 s GLY 180 CO 0.39 0.81 0.39 -0.11 0.00 0.00 0.00 173.10 174.58 2wa1 s PHE 181 N -2.19 -0.23 -0.25 1.90 -0.12 -1.26 -0.76 117.98 115.06 2wa1 s PHE 181 Ca 0.65 0.15 -0.03 0.00 -0.05 0.00 0.00 56.93 57.65 2wa1 s PHE 181 Cb -0.15 0.20 0.14 0.00 -0.63 0.00 0.00 43.02 42.58 2wa1 s PHE 181 CO 0.26 -0.57 0.43 0.00 -0.05 0.00 0.00 175.22 175.28 2wa1 s VAL 183 N 2.62 0.68 0.20 0.00 1.01 0.33 -1.99 120.40 123.26 2wa1 s VAL 183 Ca 0.13 -0.14 -0.30 0.00 0.00 0.00 0.00 61.98 61.66 2wa1 s VAL 183 Cb -0.15 -0.73 -0.09 0.00 0.00 0.00 0.00 36.38 35.41 2wa1 s VAL 183 CO -0.17 0.28 1.38 -0.75 0.00 0.00 0.00 175.10 175.84 2wa1 s LYS 184 N 1.32 4.33 -0.40 2.72 2.20 0.30 -0.34 119.74 129.87 2wa1 s LYS 184 Ca -0.04 2.15 0.00 0.00 -0.36 0.00 0.00 55.97 57.73 2wa1 s LYS 184 Cb -0.14 -3.17 0.11 0.00 -1.51 0.00 0.00 37.83 33.12 2wa1 s LYS 184 CO -0.03 -0.35 0.15 0.08 -0.36 0.00 0.00 175.35 174.84 2wa1 s VAL 185 N 0.29 2.84 0.07 4.02 1.01 0.11 -4.78 120.40 123.96 2wa1 s VAL 185 Ca 0.59 -2.30 -0.23 0.00 0.00 0.00 0.00 61.98 60.05 2wa1 s VAL 185 Cb -0.39 -3.00 -0.14 0.00 0.00 0.00 0.00 36.38 32.86 2wa1 s VAL 185 CO 0.38 -0.67 1.61 0.25 0.00 0.00 0.00 175.10 176.68 2wa1 h LEU 186 N 7.73 0.08 -7.46 3.92 5.85 -1.84 -1.99 115.31 121.59 2wa1 h LEU 186 Ca -0.08 -0.15 -0.65 0.00 0.84 0.00 0.00 57.88 57.84 2wa1 h LEU 186 Cb 1.02 -0.02 -0.40 0.00 0.37 0.00 0.00 40.66 41.63 2wa1 h LEU 186 CO 0.62 0.21 -0.61 0.21 -0.34 0.00 0.00 178.44 178.52 2wa1 s ASN 187 N -5.41 4.51 0.00 1.25 3.84 -1.26 -3.20 114.94 114.66 2wa1 s ASN 187 Ca -0.14 -2.83 0.28 0.00 0.21 0.00 0.00 52.86 50.38 2wa1 s ASN 187 Cb 0.06 -1.67 1.05 0.00 -0.55 0.00 0.00 41.25 40.14 2wa1 s ASN 187 CO 0.68 -0.28 1.75 -0.81 -2.79 0.00 0.00 177.10 175.65 2wa1 n PRO 188 N 3.37 0.64 0.07 0.43 -0.04 -1.26 -4.20 135.00 134.02 2wa1 n PRO 188 Ca 0.05 -0.27 0.11 0.00 -0.04 0.00 0.00 63.50 63.35 2wa1 n PRO 188 Cb 0.35 -1.49 -0.04 0.00 -0.04 0.00 0.00 33.50 32.27 2wa1 n PRO 188 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 2wa1 n TYR 189 N -0.94 0.68 -1.68 0.54 0.18 -1.26 -4.32 117.16 110.35 2wa1 n TYR 189 Ca 0.13 0.20 -0.44 0.00 1.88 0.00 0.00 57.90 59.67 2wa1 n TYR 189 Cb 0.30 -0.81 -0.02 0.00 -0.38 0.00 0.00 39.34 38.43 2wa1 n TYR 189 CO 0.00 0.00 0.00 0.45 -2.08 0.00 0.00 176.86 175.23 2wa1 n SER 190 N -2.53 2.75 -0.13 9.48 2.88 -1.26 -4.83 113.62 119.97 2wa1 n SER 190 Ca -0.01 1.17 -0.06 0.00 -1.33 0.00 0.00 58.87 58.64 2wa1 n SER 190 Cb 0.55 -1.45 0.03 0.00 -0.75 0.00 0.00 64.21 62.58 2wa1 n SER 190 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2wa1 h ASP 192 N 0.40 0.26 -0.30 0.00 3.32 -1.98 -1.77 116.42 116.34 2wa1 h ASP 192 Ca 0.18 -0.01 0.03 0.00 0.02 0.00 0.00 57.03 57.26 2wa1 h ASP 192 Cb 0.11 -0.06 -0.03 0.00 0.22 0.00 0.00 39.33 39.56 2wa1 h ASP 192 CO -0.14 0.19 0.10 0.58 -1.72 0.00 0.00 179.24 178.25 2wa1 h VAL 193 N 0.31 0.92 -0.43 -1.35 2.07 -1.79 -1.06 116.25 114.91 2wa1 h VAL 193 Ca 0.09 -0.08 0.03 0.00 0.82 0.00 0.00 66.70 67.56 2wa1 h VAL 193 Cb -0.03 0.66 -0.04 0.00 -1.52 0.00 0.00 31.29 30.37 2wa1 h VAL 193 CO -0.02 0.04 0.22 -0.07 0.02 0.00 0.00 177.57 177.76 2wa1 h LEU 194 N 0.23 0.33 -0.86 2.57 3.38 -0.90 0.12 115.31 120.19 2wa1 h LEU 194 Ca 0.13 0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.14 2wa1 h LEU 194 Cb 0.10 -0.05 -0.05 0.00 0.09 0.00 0.00 40.66 40.76 2wa1 h LEU 194 CO -0.14 0.24 0.56 -0.33 0.09 0.00 0.00 178.44 178.86 2wa1 h GLU 195 N 0.45 1.10 -0.52 1.13 5.08 -1.16 -0.81 114.58 119.85 2wa1 h GLU 195 Ca 0.18 -0.07 -0.06 0.00 -1.00 0.00 0.00 59.36 58.41 2wa1 h GLU 195 Cb 0.08 -0.25 -0.02 0.00 0.50 0.00 0.00 28.75 29.06 2wa1 h GLU 195 CO -0.12 0.73 0.08 0.00 -1.00 0.00 0.00 179.01 178.69 2wa1 h ALA 196 N 1.33 0.69 -0.53 3.43 0.00 -0.44 -2.53 119.26 121.22 2wa1 h ALA 196 Ca 0.32 -0.25 -0.09 0.00 0.00 0.00 0.00 54.91 54.90 2wa1 h ALA 196 Cb -0.09 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 2wa1 h ALA 196 CO -0.08 0.44 -0.02 -0.07 0.00 0.00 0.00 179.25 179.51 2wa1 h LEU 197 N 0.75 0.89 -0.59 0.00 3.38 -0.56 -1.41 115.31 117.78 2wa1 h LEU 197 Ca 0.16 -0.25 0.03 0.00 0.09 0.00 0.00 57.88 57.91 2wa1 h LEU 197 Cb 0.41 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.89 2wa1 h LEU 197 CO 0.01 0.97 0.36 0.24 0.09 0.00 0.00 178.44 180.11 2wa1 h MET 198 N 0.84 0.68 -0.29 1.13 2.86 -1.03 0.11 114.93 119.23 2wa1 h MET 198 Ca 0.15 -0.04 -0.02 0.00 -2.06 0.00 0.00 59.70 57.73 2wa1 h MET 198 Cb 0.53 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 32.03 2wa1 h MET 198 CO 0.03 0.45 0.11 0.87 1.06 0.00 0.00 176.91 179.43 2wa1 h LYS 199 N 0.70 0.45 -0.79 1.72 1.57 -1.31 -0.74 116.57 118.17 2wa1 h LYS 199 Ca 0.24 -0.09 -0.01 0.00 -1.87 0.00 0.00 60.65 58.92 2wa1 h LYS 199 Cb 0.03 -0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.23 2wa1 h LYS 199 CO -0.10 0.48 0.44 0.52 -0.57 0.00 0.00 179.45 180.22 2wa1 h MET 200 N 0.32 1.09 -0.57 3.15 2.86 -1.12 -0.34 114.93 120.33 2wa1 h MET 200 Ca 0.10 -0.12 -0.03 0.00 -2.06 0.00 0.00 59.70 57.59 2wa1 h MET 200 Cb 0.20 -0.22 -0.03 0.00 0.06 0.00 0.00 31.60 31.62 2wa1 h MET 200 CO -0.01 0.80 0.26 0.37 1.06 0.00 0.00 176.91 179.39 2wa1 h GLN 201 N 1.09 0.83 -0.64 1.72 4.15 -0.85 0.38 115.11 121.79 2wa1 h GLN 201 Ca 0.28 -0.13 0.03 0.00 0.77 0.00 0.00 58.65 59.60 2wa1 h GLN 201 Cb 0.02 -0.14 -0.04 0.00 0.21 0.00 0.00 27.48 27.52 2wa1 h GLN 201 CO -0.05 0.69 0.39 0.00 -1.93 0.00 0.00 178.83 177.93 2wa1 h ALA 202 N 1.10 0.83 -0.11 3.38 0.00 -0.85 0.12 119.26 123.73 2wa1 h ALA 202 Ca 0.19 -0.01 -0.20 0.00 0.00 0.00 0.00 54.91 54.89 2wa1 h ALA 202 Cb 0.15 -0.18 0.01 0.00 0.00 0.00 0.00 17.79 17.76 2wa1 h ALA 202 CO -0.02 0.12 -0.71 0.00 0.00 0.00 0.00 179.25 178.64 2wa1 h ARG 203 N 0.75 0.67 0.00 0.00 3.08 -0.69 -3.40 114.38 114.80 2wa1 h ARG 203 Ca 0.26 -0.58 0.00 0.00 0.07 0.00 0.00 59.98 59.73 2wa1 h ARG 203 Cb 0.04 0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.22 2wa1 h ARG 203 CO -0.11 1.19 0.00 1.19 -1.07 0.00 0.00 179.97 181.17 2wa1 n PHE 204 N -4.04 0.00 -4.18 3.04 3.72 0.13 -5.09 117.46 111.03 2wa1 n PHE 204 Ca -0.08 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.32 2wa1 n PHE 204 Cb 0.71 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.25 2wa1 n PHE 204 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2wa1 n GLY 205 N 0.17 -0.99 1.89 1.37 0.00 0.43 -4.99 105.19 103.07 2wa1 n GLY 205 Ca 0.00 -1.21 0.00 0.00 0.00 0.00 0.00 46.02 44.81 2wa1 n GLY 205 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wa1 n GLY 206 N 0.00 -2.55 2.53 -0.02 0.00 -1.25 -4.25 105.19 99.64 2wa1 n GLY 206 Ca 0.00 -1.79 -0.09 0.00 0.00 0.00 0.00 46.02 44.14 2wa1 n GLY 206 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wa1 n GLY 207 N -0.21 1.94 2.91 -0.02 0.00 0.25 -3.89 105.19 106.16 2wa1 n GLY 207 Ca 0.00 -1.40 -0.28 0.00 0.00 0.00 0.00 46.02 44.34 2wa1 n GLY 207 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2wa1 s LEU 208 N 0.00 1.38 0.24 0.99 2.96 -1.26 -0.82 118.68 122.18 2wa1 s LEU 208 Ca 0.17 -0.45 0.09 0.00 -0.22 0.00 0.00 54.13 53.72 2wa1 s LEU 208 Cb -0.02 -0.89 -0.05 0.00 0.50 0.00 0.00 46.19 45.73 2wa1 s LEU 208 CO 0.12 -0.14 -0.15 0.27 -1.32 0.00 0.00 176.35 175.14 2wa1 s ILE 209 N 1.66 1.97 -0.14 6.68 -5.25 0.17 -4.87 121.20 121.41 2wa1 s ILE 209 Ca 0.03 -2.26 -0.04 0.00 -0.99 0.00 0.00 60.65 57.40 2wa1 s ILE 209 Cb -0.14 -2.21 -0.03 0.00 2.95 0.00 0.00 42.46 43.04 2wa1 s ILE 209 CO -0.08 -0.48 -0.03 -0.60 -1.79 0.00 0.00 174.94 171.97 2wa1 s ARG 210 N -3.62 3.56 -0.16 0.37 6.06 -1.26 -0.42 118.95 123.48 2wa1 s ARG 210 Ca 0.26 -0.49 -0.13 0.00 -2.50 0.00 0.00 55.73 52.87 2wa1 s ARG 210 Cb -0.01 -2.91 -0.05 0.00 0.06 0.00 0.00 34.95 32.05 2wa1 s ARG 210 CO 0.10 0.33 0.25 0.08 -2.50 0.00 0.00 175.30 173.56 2wa1 s VAL 211 N 0.14 5.33 -1.06 7.11 1.01 -1.26 -4.98 120.40 126.69 2wa1 s VAL 211 Ca -0.00 0.45 0.12 0.00 0.00 0.00 0.00 61.98 62.55 2wa1 s VAL 211 Cb -0.13 -3.58 0.12 0.00 0.00 0.00 0.00 36.38 32.78 2wa1 s VAL 211 CO 0.02 0.42 1.39 -0.81 0.00 0.00 0.00 175.10 176.12 2wa1 n PRO 212 N 3.43 0.02 0.13 2.72 -0.04 -1.26 -1.23 135.00 138.77 2wa1 n PRO 212 Ca -0.13 0.27 0.13 0.00 -0.04 0.00 0.00 63.50 63.73 2wa1 n PRO 212 Cb 0.52 -1.50 0.37 0.00 -0.04 0.00 0.00 33.50 32.85 2wa1 n PRO 212 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 2wa1 h LEU 213 N 0.00 0.00 -9.78 1.53 4.07 -1.94 -1.16 115.31 108.03 2wa1 h LEU 213 Ca 0.00 0.00 -0.52 0.00 0.08 0.00 0.00 57.88 57.44 2wa1 h LEU 213 Cb 0.20 0.00 0.04 0.00 1.08 0.00 0.00 40.66 41.98 2wa1 h LEU 213 CO 0.00 0.00 0.60 -0.44 -1.08 0.00 0.00 178.44 177.52 2wa1 s SER 214 N -4.88 6.95 0.77 -0.43 0.01 -0.37 -4.71 113.70 111.05 2wa1 s SER 214 Ca 0.09 2.46 -0.11 0.00 1.31 0.00 0.00 55.95 59.71 2wa1 s SER 214 Cb 0.11 -2.63 0.05 0.00 0.21 0.00 0.00 66.02 63.76 2wa1 s SER 214 CO 0.60 -0.43 1.08 -0.13 0.41 0.00 0.00 173.24 174.78 2wa1 s ARG 215 N -1.04 2.29 0.01 12.44 0.52 -1.26 -4.83 118.95 127.08 2wa1 s ARG 215 Ca 0.51 0.79 0.28 0.00 -0.52 0.00 0.00 55.73 56.79 2wa1 s ARG 215 Cb -0.36 -1.93 1.18 0.00 0.52 0.00 0.00 34.95 34.35 2wa1 s ARG 215 CO 0.44 -1.52 1.89 0.09 0.02 0.00 0.00 175.30 176.22 2wa1 n ASN 216 N -3.39 0.04 -0.22 0.23 3.02 0.29 -2.68 115.26 112.55 2wa1 n ASN 216 Ca 0.07 0.50 0.12 0.00 -0.03 0.00 0.00 54.58 55.25 2wa1 n ASN 216 Cb 0.55 -0.51 0.62 0.00 -0.61 0.00 0.00 39.78 39.83 2wa1 n ASN 216 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 2wa1 n SER 217 N -1.53 0.67 -3.96 6.41 3.41 -1.26 -4.75 113.62 112.60 2wa1 n SER 217 Ca 0.07 -1.38 -0.17 0.00 -0.26 0.00 0.00 58.87 57.13 2wa1 n SER 217 Cb 0.33 -0.02 -0.15 0.00 -0.26 0.00 0.00 64.21 64.11 2wa1 n SER 217 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2wa1 s THR 218 N -1.95 0.49 -1.84 6.66 -1.32 -1.09 -5.03 115.64 111.56 2wa1 s THR 218 Ca 0.37 -0.24 0.14 0.00 -1.21 0.00 0.00 61.69 60.74 2wa1 s THR 218 Cb 0.18 -0.43 0.43 0.00 -1.51 0.00 0.00 72.50 71.17 2wa1 s THR 218 CO 0.29 0.15 1.34 1.57 -2.21 0.00 0.00 174.62 175.76 2wa1 n HIS 219 N 3.08 0.71 -1.63 9.09 -0.00 -1.26 -4.73 115.22 120.47 2wa1 n HIS 219 Ca -0.15 -0.33 -0.45 0.00 0.46 0.00 0.00 57.72 57.25 2wa1 n HIS 219 Cb 0.57 -0.04 -0.02 0.00 -0.12 0.00 0.00 29.99 30.38 2wa1 n HIS 219 CO 0.00 0.00 0.00 -0.85 0.46 0.00 0.00 176.34 175.95 2wa1 n GLU 220 N 0.83 1.62 -4.26 1.57 0.28 -1.19 -4.57 120.64 114.92 2wa1 n GLU 220 Ca 0.16 0.57 -0.14 0.00 -0.16 0.00 0.00 57.16 57.59 2wa1 n GLU 220 Cb 0.45 -2.09 -0.10 0.00 1.43 0.00 0.00 31.44 31.13 2wa1 n GLU 220 CO 0.00 0.00 0.00 -1.64 -0.16 0.00 0.00 177.13 175.33 2wa1 s MET 221 N -0.99 1.23 -0.12 3.44 -1.94 -0.75 -4.74 119.30 115.43 2wa1 s MET 221 Ca 0.64 -1.63 0.03 0.00 -1.71 0.00 0.00 55.69 53.02 2wa1 s MET 221 Cb -0.70 -0.17 0.01 0.00 2.01 0.00 0.00 34.83 35.97 2wa1 s MET 221 CO 0.55 -0.24 -0.22 0.71 -0.01 0.00 0.00 175.02 175.82 2wa1 s TYR 222 N -3.78 2.51 -0.35 -0.03 2.02 0.44 0.06 117.35 118.22 2wa1 s TYR 222 Ca 0.31 -1.15 -0.21 0.00 -0.37 0.00 0.00 57.07 55.65 2wa1 s TYR 222 Cb 0.07 -1.70 0.00 0.00 -0.40 0.00 0.00 41.96 39.93 2wa1 s TYR 222 CO 0.09 -0.50 0.69 0.12 -1.57 0.00 0.00 175.55 174.38 2wa1 s PHE 223 N 0.61 3.15 0.05 2.71 5.36 0.53 -0.66 117.98 129.73 2wa1 s PHE 223 Ca -0.13 0.46 0.05 0.00 -0.96 0.00 0.00 56.93 56.36 2wa1 s PHE 223 Cb -0.17 -3.21 -0.02 0.00 -0.34 0.00 0.00 43.02 39.28 2wa1 s PHE 223 CO 0.03 -0.64 -0.15 0.14 -1.46 0.00 0.00 175.22 173.14 2wa1 s VAL 224 N 2.84 1.16 -0.33 3.12 -7.23 0.00 -0.51 120.40 119.45 2wa1 s VAL 224 Ca 0.27 -1.10 0.22 0.00 -1.81 0.00 0.00 61.98 59.56 2wa1 s VAL 224 Cb -0.14 -1.06 0.17 0.00 0.56 0.00 0.00 36.38 35.91 2wa1 s VAL 224 CO 0.15 -0.04 1.36 0.77 -0.31 0.00 0.00 175.10 177.03 2wa1 h SER 225 N 4.75 0.00 1.55 4.85 4.64 -1.18 0.31 113.55 128.47 2wa1 h SER 225 Ca -0.39 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.93 2wa1 h SER 225 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 2wa1 h SER 225 CO 0.43 0.08 0.00 1.23 -0.87 0.00 0.00 176.83 177.70 2wa1 h GLY 226 N 3.93 0.00 -3.64 -0.77 0.00 -0.95 -3.39 103.07 98.25 2wa1 h GLY 226 Ca -0.01 0.00 -0.24 0.00 0.00 0.00 0.00 47.33 47.08 2wa1 h GLY 226 CO 0.01 0.00 -0.71 -0.26 0.00 0.00 0.00 176.54 175.58 2wa1 s ILE 227 N -3.24 0.63 -0.17 2.60 -4.36 -1.26 -4.80 121.20 110.61 2wa1 s ILE 227 Ca 0.07 -1.63 -0.03 0.00 -0.26 0.00 0.00 60.65 58.80 2wa1 s ILE 227 Cb 0.09 -1.30 -0.02 0.00 1.25 0.00 0.00 42.46 42.47 2wa1 s ILE 227 CO 0.60 -0.70 -0.05 -0.54 0.24 0.00 0.00 174.94 174.49 2wa1 s LYS 228 N -3.05 3.55 0.33 0.37 1.02 -1.26 -0.59 119.74 120.12 2wa1 s LYS 228 Ca 0.04 -0.57 0.02 0.00 0.02 0.00 0.00 55.97 55.48 2wa1 s LYS 228 Cb -0.00 -2.91 -0.01 0.00 -0.52 0.00 0.00 37.83 34.39 2wa1 s LYS 228 CO -0.03 0.11 0.37 0.54 -0.92 0.00 0.00 175.35 175.42 2wa1 s ASN 229 N 0.68 1.25 -0.53 2.83 2.20 -1.25 -4.93 114.94 115.18 2wa1 s ASN 229 Ca -0.03 -1.61 -0.23 0.00 -0.94 0.00 0.00 52.86 50.05 2wa1 s ASN 229 Cb -0.15 0.60 0.04 0.00 -2.00 0.00 0.00 41.25 39.75 2wa1 s ASN 229 CO 0.02 -1.17 0.87 0.21 -2.94 0.00 0.00 177.10 174.09 2wa1 s ASN 230 N -3.30 6.33 0.06 3.54 3.84 -1.26 -4.78 114.94 119.37 2wa1 s ASN 230 Ca 0.36 -0.42 -0.25 0.00 0.21 0.00 0.00 52.86 52.76 2wa1 s ASN 230 Cb 0.01 -2.40 -0.17 0.00 -0.55 0.00 0.00 41.25 38.14 2wa1 s ASN 230 CO 0.23 -1.13 1.57 0.40 -2.79 0.00 0.00 177.10 175.39 2wa1 h ILE 231 N 5.99 0.97 -0.46 -5.21 2.04 -1.97 -1.71 117.51 117.16 2wa1 h ILE 231 Ca -0.26 -0.30 0.02 0.00 1.00 0.00 0.00 64.86 65.32 2wa1 h ILE 231 Cb 1.08 1.17 -0.03 0.00 -0.74 0.00 0.00 36.82 38.29 2wa1 h ILE 231 CO 1.05 0.07 0.27 0.24 0.00 0.00 0.00 178.15 179.78 2wa1 h MET 232 N -0.29 0.52 -0.76 2.37 2.86 -1.97 -1.13 114.93 116.53 2wa1 h MET 232 Ca -0.02 -0.03 -0.04 0.00 -2.06 0.00 0.00 59.70 57.56 2wa1 h MET 232 Cb 0.23 -0.12 -0.03 0.00 0.06 0.00 0.00 31.60 31.74 2wa1 h MET 232 CO 0.02 0.34 0.33 0.78 1.06 0.00 0.00 176.91 179.45 2wa1 h GLY 233 N 0.53 1.20 1.24 8.32 0.00 -1.96 -1.93 103.07 110.47 2wa1 h GLY 233 Ca 0.19 -0.63 -0.08 0.00 0.00 0.00 0.00 47.33 46.81 2wa1 h GLY 233 CO -0.10 0.60 0.03 3.43 0.00 0.00 0.00 176.54 180.50 2wa1 h ASN 234 N 1.09 0.89 -0.03 0.19 2.35 -0.92 -0.85 115.58 118.29 2wa1 h ASN 234 Ca 0.26 -0.22 -0.00 0.00 -0.55 0.00 0.00 56.30 55.79 2wa1 h ASN 234 Cb 0.17 -0.24 -0.00 0.00 0.05 0.00 0.00 38.32 38.31 2wa1 h ASN 234 CO -0.03 0.93 0.02 0.58 -1.65 0.00 0.00 177.43 177.28 2wa1 h VAL 235 N 0.86 1.12 -0.83 2.81 2.07 -0.97 -1.91 116.25 119.39 2wa1 h VAL 235 Ca 0.17 -0.35 0.01 0.00 0.82 0.00 0.00 66.70 67.35 2wa1 h VAL 235 Cb 0.47 1.29 -0.04 0.00 -1.52 0.00 0.00 31.29 31.48 2wa1 h VAL 235 CO 0.02 0.09 0.55 0.74 0.02 0.00 0.00 177.57 178.99 2wa1 h THR 236 N -0.08 1.21 -0.78 2.57 2.02 -1.29 -0.96 112.91 115.61 2wa1 h THR 236 Ca 0.01 -0.39 0.02 0.00 0.77 0.00 0.00 66.41 66.81 2wa1 h THR 236 Cb 0.14 -0.00 -0.04 0.00 -1.74 0.00 0.00 68.15 66.51 2wa1 h THR 236 CO -0.00 0.21 0.51 0.00 0.37 0.00 0.00 175.52 176.60 2wa1 h ALA 237 N 1.30 1.00 0.08 6.16 0.00 -0.98 -1.27 119.26 125.54 2wa1 h ALA 237 Ca 0.30 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.16 2wa1 h ALA 237 Cb -0.13 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.37 2wa1 h ALA 237 CO -0.06 0.37 -0.04 0.28 0.00 0.00 0.00 179.25 179.80 2wa1 h VAL 238 N 1.03 1.02 -0.75 0.00 2.07 -0.67 -1.35 116.25 117.60 2wa1 h VAL 238 Ca 0.29 -0.36 0.12 0.00 0.82 0.00 0.00 66.70 67.58 2wa1 h VAL 238 Cb -0.08 1.26 -0.09 0.00 -1.52 0.00 0.00 31.29 30.86 2wa1 h VAL 238 CO -0.08 0.09 0.34 0.28 0.02 0.00 0.00 177.57 178.22 2wa1 h SER 239 N -0.27 0.38 -0.17 0.57 0.02 -0.86 -0.17 113.55 113.05 2wa1 h SER 239 Ca -0.01 0.09 -0.02 0.00 -0.84 0.00 0.00 61.79 61.01 2wa1 h SER 239 Cb 0.23 0.04 -0.01 0.00 0.14 0.00 0.00 62.40 62.80 2wa1 h SER 239 CO 0.02 0.18 0.03 0.03 -1.14 0.00 0.00 176.83 175.95 2wa1 h ARG 240 N 0.52 0.28 -0.43 3.45 3.08 -1.14 -0.89 114.38 119.26 2wa1 h ARG 240 Ca 0.40 -0.07 0.04 0.00 0.07 0.00 0.00 59.98 60.42 2wa1 h ARG 240 Cb 0.54 -0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.51 2wa1 h ARG 240 CO -0.35 0.43 0.19 0.37 -1.07 0.00 0.00 179.97 179.54 2wa1 h GLN 241 N 0.07 0.37 -0.35 0.04 4.15 -0.84 0.70 115.11 119.24 2wa1 h GLN 241 Ca 0.05 -0.02 -0.11 0.00 0.77 0.00 0.00 58.65 59.34 2wa1 h GLN 241 Cb 0.29 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 27.88 2wa1 h GLN 241 CO 0.00 0.24 -0.23 -0.07 -1.93 0.00 0.00 178.83 176.84 2wa1 h LEU 242 N 0.38 0.71 -0.38 -2.39 3.38 -0.86 -1.15 115.31 115.00 2wa1 h LEU 242 Ca 0.19 -0.25 -0.04 0.00 0.09 0.00 0.00 57.88 57.87 2wa1 h LEU 242 Cb 0.13 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 2wa1 h LEU 242 CO -0.16 0.92 0.09 -0.07 0.09 0.00 0.00 178.44 179.31 2wa1 h LEU 243 N 0.61 0.57 -0.69 1.67 3.38 -0.91 -3.10 115.31 116.84 2wa1 h LEU 243 Ca 0.09 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.83 2wa1 h LEU 243 Cb 0.72 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.29 2wa1 h LEU 243 CO 0.06 0.65 0.44 0.50 0.09 0.00 0.00 178.44 180.18 2wa1 h LYS 244 N 0.46 0.91 0.00 1.13 1.63 -0.64 -2.53 116.57 117.54 2wa1 h LYS 244 Ca 0.12 -0.07 -0.00 0.00 -0.85 0.00 0.00 60.65 59.85 2wa1 h LYS 244 Cb 0.30 -0.20 -0.00 0.00 -0.60 0.00 0.00 32.23 31.73 2wa1 h LYS 244 CO 0.00 0.62 -0.00 0.00 -3.45 0.00 0.00 179.45 176.62 2wa1 h ARG 245 N 0.93 0.00 0.00 1.90 3.08 -1.21 -1.39 114.38 117.69 2wa1 h ARG 245 Ca 0.25 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.30 2wa1 h ARG 245 Cb -0.08 0.00 0.00 0.00 0.08 0.00 0.00 29.97 29.97 2wa1 h ARG 245 CO -0.05 0.00 0.00 0.52 -1.07 0.00 0.00 179.97 179.37 2wa1 h MET 246 N 0.00 0.00 -0.18 0.04 2.86 -1.38 -2.86 114.93 113.41 2wa1 h MET 246 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2wa1 h MET 246 Cb 0.00 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.66 2wa1 h MET 246 CO 0.00 0.00 0.00 0.39 1.06 0.00 0.00 176.91 178.36 2wa1 n GLU 247 N -2.80 2.28 -3.75 1.72 1.02 -0.53 -5.00 120.64 113.57 2wa1 n GLU 247 Ca 0.02 -2.02 -0.22 0.00 -0.02 0.00 0.00 57.16 54.92 2wa1 n GLU 247 Cb 0.34 -1.46 -0.05 0.00 -0.02 0.00 0.00 31.44 30.25 2wa1 n GLU 247 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 2wa1 s GLU 248 N -1.69 2.43 0.09 3.49 2.02 -1.08 -5.13 118.70 118.84 2wa1 s GLU 248 Ca 0.31 -1.63 0.08 0.00 0.02 0.00 0.00 54.97 53.75 2wa1 s GLU 248 Cb 0.20 -2.25 -0.03 0.00 0.10 0.00 0.00 34.13 32.15 2wa1 s GLU 248 CO 0.29 -0.16 -0.21 -0.65 0.02 0.00 0.00 175.26 174.55 2wa1 s GLN 249 N -4.05 1.17 0.00 1.61 -0.21 -1.26 -5.01 119.66 111.90 2wa1 s GLN 249 Ca 0.46 -1.13 0.00 0.00 0.02 0.00 0.00 55.36 54.70 2wa1 s GLN 249 Cb -0.01 -1.42 0.00 0.00 1.00 0.00 0.00 33.01 32.58 2wa1 s GLN 249 CO 0.26 0.34 0.00 0.41 -2.12 0.00 0.00 175.29 174.18 2wa1 n GLY 250 N 1.20 3.73 0.00 3.09 0.00 -1.26 -5.04 105.19 106.90 2wa1 n GLY 250 Ca -0.19 -1.03 0.00 0.00 0.00 0.00 0.00 46.02 44.80 2wa1 n GLY 250 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wa1 n GLY 251 N -1.37 3.31 3.88 -0.02 0.00 -1.26 -4.53 105.19 105.20 2wa1 n GLY 251 Ca 0.00 -2.14 -0.30 0.00 0.00 0.00 0.00 46.02 43.58 2wa1 n GLY 251 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2wa1 s GLU 252 N -1.28 3.70 -0.48 1.61 1.03 -1.19 -0.74 118.70 121.34 2wa1 s GLU 252 Ca 0.00 0.54 -0.22 0.00 0.03 0.00 0.00 54.97 55.32 2wa1 s GLU 252 Cb 0.00 -2.27 0.03 0.00 -0.80 0.00 0.00 34.13 31.09 2wa1 s GLU 252 CO 0.00 -0.25 0.76 1.03 -1.33 0.00 0.00 175.26 175.47 2wa1 s ARG 253 N -4.45 3.30 -0.01 -4.83 0.52 -0.44 -4.86 118.95 108.18 2wa1 s ARG 253 Ca 0.52 -0.35 -0.30 0.00 -0.52 0.00 0.00 55.73 55.08 2wa1 s ARG 253 Cb -0.10 -4.00 -0.03 0.00 0.52 0.00 0.00 34.95 31.34 2wa1 s ARG 253 CO 0.41 -1.20 1.00 0.08 0.02 0.00 0.00 175.30 175.61 2wa1 s VAL 254 N 3.20 4.79 0.23 3.52 1.01 -1.26 -0.82 120.40 131.07 2wa1 s VAL 254 Ca 0.25 2.01 0.07 0.00 0.00 0.00 0.00 61.98 64.32 2wa1 s VAL 254 Cb -0.14 -4.29 -0.05 0.00 0.00 0.00 0.00 36.38 31.90 2wa1 s VAL 254 CO 0.19 0.13 -0.10 0.68 0.00 0.00 0.00 175.10 175.99 2wa1 s VAL 255 N 1.19 1.62 0.42 2.92 -7.23 -0.41 -4.94 120.40 113.97 2wa1 s VAL 255 Ca 0.52 -2.16 -0.25 0.00 -1.81 0.00 0.00 61.98 58.28 2wa1 s VAL 255 Cb -0.21 -2.18 -0.08 0.00 0.56 0.00 0.00 36.38 34.47 2wa1 s VAL 255 CO 0.26 -0.49 1.23 -2.84 -0.31 0.00 0.00 175.10 172.95 2wa1 s PRO 256 N -3.69 3.92 0.85 4.82 0.02 -1.26 0.20 135.00 139.86 2wa1 s PRO 256 Ca 0.25 1.96 -0.10 0.00 0.02 0.00 0.00 61.00 63.13 2wa1 s PRO 256 Cb 0.01 -2.64 0.11 0.00 0.02 0.00 0.00 34.50 32.00 2wa1 s PRO 256 CO 0.08 -0.47 1.12 0.34 -0.33 0.00 0.00 177.00 177.74 2wa1 s ASP 257 N -1.02 3.64 0.24 2.53 2.15 -1.25 -4.62 116.67 118.34 2wa1 s ASP 257 Ca 0.59 1.98 -0.30 0.00 0.43 0.00 0.00 52.55 55.24 2wa1 s ASP 257 Cb -0.33 -2.52 -0.10 0.00 -0.30 0.00 0.00 42.92 39.66 2wa1 s ASP 257 CO 0.42 -2.61 1.44 -0.47 -0.17 0.00 0.00 175.17 173.77 2wa1 s TYR 258 N -2.78 3.04 -0.05 -5.34 5.04 -1.26 -5.00 117.35 111.00 2wa1 s TYR 258 Ca 0.64 1.02 0.06 0.00 -2.44 0.00 0.00 57.07 56.35 2wa1 s TYR 258 Cb -0.20 -3.81 -0.01 0.00 0.35 0.00 0.00 41.96 38.29 2wa1 s TYR 258 CO 0.57 -2.64 -0.25 0.15 -1.34 0.00 0.00 175.55 172.04 2wa1 s LYS 259 N -0.28 2.49 0.16 4.97 -0.14 -1.26 -4.15 119.74 121.54 2wa1 s LYS 259 Ca 0.60 -0.90 0.03 0.00 -1.36 0.00 0.00 55.97 54.34 2wa1 s LYS 259 Cb -0.41 -2.13 -0.04 0.00 -1.68 0.00 0.00 37.83 33.57 2wa1 s LYS 259 CO 0.42 0.39 0.26 -0.06 -0.76 0.00 0.00 175.35 175.60 2wa1 s PHE 260 N -0.20 3.40 1.17 3.18 0.08 0.79 -5.05 117.98 121.36 2wa1 s PHE 260 Ca -0.02 0.07 -0.15 0.00 0.12 0.00 0.00 56.93 56.95 2wa1 s PHE 260 Cb -0.13 -1.62 0.27 0.00 -0.57 0.00 0.00 43.02 40.97 2wa1 s PHE 260 CO 0.03 0.51 1.04 -1.12 -0.10 0.00 0.00 175.22 175.58 2wa1 s SER 261 N -3.28 1.08 0.39 1.36 0.01 -1.26 -4.39 113.70 107.60 2wa1 s SER 261 Ca 0.34 1.18 0.08 0.00 1.31 0.00 0.00 55.95 58.85 2wa1 s SER 261 Cb -0.11 -1.80 -0.08 0.00 0.21 0.00 0.00 66.02 64.25 2wa1 s SER 261 CO 0.27 -4.09 -0.02 0.42 0.41 0.00 0.00 173.24 170.23 2wa1 s THR 262 N -2.66 2.04 0.00 1.44 -4.23 -1.26 -1.15 115.64 109.83 2wa1 s THR 262 Ca 0.68 -2.06 0.00 0.00 -1.18 0.00 0.00 61.69 59.13 2wa1 s THR 262 Cb -0.19 -2.89 0.00 0.00 1.34 0.00 0.00 72.50 70.75 2wa1 s THR 262 CO 0.61 -0.06 0.00 0.61 -0.54 0.00 0.00 174.62 175.24 2wa1 n GLY 263 N -0.91 1.17 3.91 3.99 0.00 -0.96 -4.45 105.19 107.94 2wa1 n GLY 263 Ca -0.05 -2.11 -0.27 0.00 0.00 0.00 0.00 46.02 43.59 2wa1 n GLY 263 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2wa1 s THR 264 N -1.54 4.65 0.12 2.61 -4.23 -1.26 -1.24 115.64 114.76 2wa1 s THR 264 Ca 0.00 0.15 0.09 0.00 -1.18 0.00 0.00 61.69 60.75 2wa1 s THR 264 Cb 0.00 -3.78 -0.04 0.00 1.34 0.00 0.00 72.50 70.02 2wa1 s THR 264 CO 0.00 -0.77 -0.19 -0.13 -0.54 0.00 0.00 174.62 172.99 2wa1 s ARG 265 N -4.79 1.75 0.12 3.99 0.52 -1.26 -4.60 118.95 114.68 2wa1 s ARG 265 Ca 0.49 -1.21 -0.24 0.00 -0.52 0.00 0.00 55.73 54.24 2wa1 s ARG 265 Cb -0.10 -2.09 0.08 0.00 0.52 0.00 0.00 34.95 33.36 2wa1 s ARG 265 CO 0.45 0.47 1.13 -1.54 0.02 0.00 0.00 175.30 175.83 2wa1 s SER 266 N -2.18 0.01 0.00 0.23 1.04 -1.26 -4.86 113.70 106.68 2wa1 s SER 266 Ca 0.18 -0.52 0.00 0.00 0.48 0.00 0.00 55.95 56.09 2wa1 s SER 266 Cb -0.10 0.38 0.00 0.00 0.10 0.00 0.00 66.02 66.39 2wa1 s SER 266 CO 0.10 -0.75 0.17 0.59 0.98 0.00 0.00 173.24 174.33