#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wa1 h ILE 2 N 0.00 1.10 -0.53 -0.61 2.04 -2.01 -2.93 117.51 114.57 2wa1 h ILE 2 Ca 0.00 -0.35 0.00 0.00 1.00 0.00 0.00 64.86 65.51 2wa1 h ILE 2 Cb 0.00 -0.03 0.00 0.00 -0.74 0.00 0.00 36.82 36.05 2wa1 h ILE 2 CO 0.00 0.19 0.00 0.00 0.00 0.00 0.00 178.15 178.34 2wa1 h SER 4 N 3.59 0.58 0.00 0.00 4.64 -1.97 -3.41 113.55 116.99 2wa1 h SER 4 Ca 0.00 -0.40 0.00 0.00 -0.47 0.00 0.00 61.79 60.92 2wa1 h SER 4 Cb 1.74 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 63.65 2wa1 h SER 4 CO 0.37 1.16 -0.76 -0.24 -0.87 0.00 0.00 176.83 176.49 2wa1 n SER 5 N -3.84 2.18 -0.12 4.97 2.88 -1.26 -4.80 113.62 113.63 2wa1 n SER 5 Ca -0.05 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.40 2wa1 n SER 5 Cb 0.74 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 64.19 2wa1 n SER 5 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2wa1 h ALA 6 N 0.00 0.47 -0.94 -1.46 0.00 -1.80 -2.27 119.26 113.26 2wa1 h ALA 6 Ca 0.00 -0.10 0.02 0.00 0.00 0.00 0.00 54.91 54.83 2wa1 h ALA 6 Cb 0.76 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.36 2wa1 h ALA 6 CO 0.00 0.03 0.61 -1.35 0.00 0.00 0.00 179.25 178.55 2wa1 h PRO 7 N 0.45 1.19 0.09 0.00 0.11 -1.75 -1.99 132.00 130.10 2wa1 h PRO 7 Ca 0.12 -0.07 0.01 0.00 0.11 0.00 0.00 66.00 66.17 2wa1 h PRO 7 Cb 0.12 -0.27 -0.01 0.00 0.11 0.00 0.00 31.00 30.95 2wa1 h PRO 7 CO -0.02 0.79 -0.10 1.15 -0.21 0.00 0.00 178.00 179.61 2wa1 h THR 8 N 1.22 0.76 -0.70 -1.15 2.02 -1.76 -1.35 112.91 111.97 2wa1 h THR 8 Ca 0.36 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.48 2wa1 h THR 8 Cb -0.07 0.76 -0.03 0.00 -1.74 0.00 0.00 68.15 67.07 2wa1 h THR 8 CO -0.10 0.00 0.22 -0.07 0.37 0.00 0.00 175.52 175.94 2wa1 h LEU 9 N -0.22 1.02 -0.60 2.58 3.38 -1.33 -1.04 115.31 119.09 2wa1 h LEU 9 Ca 0.01 -0.21 -0.12 0.00 0.09 0.00 0.00 57.88 57.65 2wa1 h LEU 9 Cb 0.22 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 2wa1 h LEU 9 CO -0.04 0.96 -0.17 1.23 0.09 0.00 0.00 178.44 180.51 2wa1 h GLY 10 N 1.02 1.01 1.66 0.83 0.00 -1.32 -1.10 103.07 105.17 2wa1 h GLY 10 Ca 0.22 -0.85 -0.14 0.00 0.00 0.00 0.00 47.33 46.57 2wa1 h GLY 10 CO -0.01 0.77 -0.51 0.83 0.00 0.00 0.00 176.54 177.63 2wa1 h GLU 11 N 0.82 0.37 -0.06 4.80 5.08 -1.01 -0.83 114.58 123.75 2wa1 h GLU 11 Ca 0.12 -0.21 -0.00 0.00 -1.00 0.00 0.00 59.36 58.26 2wa1 h GLU 11 Cb 0.72 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.99 2wa1 h GLU 11 CO 0.06 0.79 0.03 0.82 -1.00 0.00 0.00 179.01 179.71 2wa1 h ILE 12 N 0.29 1.09 -0.53 3.13 2.04 -1.03 -1.71 117.51 120.79 2wa1 h ILE 12 Ca 0.01 -0.26 0.09 0.00 1.00 0.00 0.00 64.86 65.70 2wa1 h ILE 12 Cb 0.99 1.16 -0.07 0.00 -0.74 0.00 0.00 36.82 38.16 2wa1 h ILE 12 CO 0.09 0.08 0.13 -0.25 0.00 0.00 0.00 178.15 178.19 2wa1 h TRP 13 N -0.01 0.22 -0.37 1.37 7.01 -1.00 -0.62 115.95 122.56 2wa1 h TRP 13 Ca 0.02 0.03 -0.03 0.00 2.11 0.00 0.00 58.89 61.02 2wa1 h TRP 13 Cb 0.09 -0.02 -0.02 0.00 -2.10 0.00 0.00 29.16 27.12 2wa1 h TRP 13 CO -0.04 0.02 0.12 -0.22 -2.79 0.00 0.00 178.44 175.53 2wa1 h LYS 14 N 0.28 0.58 -0.58 2.65 1.63 -1.00 0.58 116.57 120.71 2wa1 h LYS 14 Ca 0.27 -0.12 -0.09 0.00 -0.85 0.00 0.00 60.65 59.85 2wa1 h LYS 14 Cb 0.35 -0.08 -0.02 0.00 -0.60 0.00 0.00 32.23 31.87 2wa1 h LYS 14 CO -0.32 0.59 0.01 0.00 -3.45 0.00 0.00 179.45 176.27 2wa1 h ARG 15 N 0.46 1.01 -0.42 1.90 3.08 -1.08 -1.20 114.38 118.13 2wa1 h ARG 15 Ca 0.12 -0.31 -0.14 0.00 0.07 0.00 0.00 59.98 59.73 2wa1 h ARG 15 Cb 0.24 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.19 2wa1 h ARG 15 CO -0.00 0.98 -0.28 0.87 -1.07 0.00 0.00 179.97 180.47 2wa1 h LYS 16 N 0.92 0.93 -0.40 0.04 1.57 -0.95 -2.46 116.57 116.23 2wa1 h LYS 16 Ca 0.17 -0.44 0.04 0.00 -1.87 0.00 0.00 60.65 58.54 2wa1 h LYS 16 Cb 0.53 -0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.79 2wa1 h LYS 16 CO 0.03 1.10 0.18 1.25 -0.57 0.00 0.00 179.45 181.44 2wa1 h LEU 17 N 0.76 0.25 -1.09 2.94 5.85 -0.70 -2.20 115.31 121.11 2wa1 h LEU 17 Ca 0.08 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.83 2wa1 h LEU 17 Cb 0.87 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.88 2wa1 h LEU 17 CO 0.08 0.18 0.00 0.78 -0.34 0.00 0.00 178.44 179.14 2wa1 h ASN 18 N 0.37 0.00 0.43 1.25 2.35 -1.07 -2.35 115.58 116.56 2wa1 h ASN 18 Ca 0.18 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.93 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 -0.35 0.00 -1.65 0.00 0.00 177.43 175.29 2wa1 n GLN 19 N -2.40 0.35 -2.61 0.81 6.02 -0.84 -4.91 117.38 113.80 2wa1 n GLN 19 Ca 0.01 -0.19 -0.41 0.00 -0.01 0.00 0.00 57.00 56.40 2wa1 n GLN 19 Cb 0.19 -1.50 -0.05 0.00 1.02 0.00 0.00 30.24 29.90 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 -2.78 4.55 0.93 1.08 1.43 -0.89 -5.05 118.68 117.95 2wa1 s LEU 20 Ca 0.17 2.03 -0.13 0.00 -1.03 0.00 0.00 54.13 55.17 2wa1 s LEU 20 Cb 0.18 -3.61 0.20 0.00 0.03 0.00 0.00 46.19 43.00 2wa1 s LEU 20 CO 0.61 -0.07 1.28 1.51 0.23 0.00 0.00 176.35 179.91 2wa1 s ASP 21 N -0.55 3.21 0.15 2.29 1.47 -1.26 -4.70 116.67 117.27 2wa1 s ASP 21 Ca 0.45 0.08 -0.18 0.00 1.18 0.00 0.00 52.55 54.08 2wa1 s ASP 21 Cb -0.28 -0.13 0.04 0.00 -0.34 0.00 0.00 42.92 42.21 2wa1 s ASP 21 CO 0.34 -2.66 1.72 0.00 0.68 0.00 0.00 175.17 175.26 2wa1 h ALA 22 N -1.49 0.29 -0.27 2.11 0.00 -1.99 0.13 119.26 118.04 2wa1 h ALA 22 Ca -0.42 0.07 -0.10 0.00 0.00 0.00 0.00 54.91 54.46 2wa1 h ALA 22 Cb 1.23 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.13 2wa1 h ALA 22 CO 0.35 -0.38 -0.20 0.87 0.00 0.00 0.00 179.25 179.89 2wa1 h LYS 23 N 0.12 0.62 -0.84 0.00 1.57 -1.99 -2.12 116.57 113.93 2wa1 h LYS 23 Ca 0.14 -0.30 0.06 0.00 -1.87 0.00 0.00 60.65 58.68 2wa1 h LYS 23 Cb 0.18 -0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.43 2wa1 h LYS 23 CO -0.22 0.89 0.52 0.93 -0.57 0.00 0.00 179.45 181.00 2wa1 h GLU 24 N 0.35 0.92 -0.43 3.15 5.08 -1.84 -1.79 114.58 120.02 2wa1 h GLU 24 Ca 0.05 -0.06 -0.06 0.00 -1.00 0.00 0.00 59.36 58.30 2wa1 h GLU 24 Cb 0.74 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.77 2wa1 h GLU 24 CO 0.05 0.61 0.05 0.35 -1.00 0.00 0.00 179.01 179.07 2wa1 h PHE 25 N 0.94 0.78 -0.40 4.33 3.57 -0.62 0.03 116.94 125.58 2wa1 h PHE 25 Ca 0.36 -0.12 -0.04 0.00 3.53 0.00 0.00 57.97 61.71 2wa1 h PHE 25 Cb 0.16 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 38.68 2wa1 h PHE 25 CO -0.04 0.75 0.09 0.52 -2.23 0.00 0.00 178.31 177.41 2wa1 h MET 26 N 0.58 0.63 -0.28 1.11 2.86 -1.22 -0.95 114.93 117.67 2wa1 h MET 26 Ca 0.13 -0.15 -0.02 0.00 -2.06 0.00 0.00 59.70 57.59 2wa1 h MET 26 Cb 0.41 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 31.97 2wa1 h MET 26 CO 0.01 0.66 0.09 0.00 1.06 0.00 0.00 176.91 178.74 2wa1 h ALA 27 N 0.95 0.36 -0.16 6.32 0.00 -1.24 -3.28 119.26 122.21 2wa1 h ALA 27 Ca 0.12 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 2wa1 h ALA 27 Cb 0.31 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 2wa1 h ALA 27 CO 0.00 -0.01 0.06 -0.92 0.00 0.00 0.00 179.25 178.37 2wa1 h TYR 28 N 0.29 0.26 0.00 0.00 3.20 -0.81 -3.09 116.97 116.82 2wa1 h TYR 28 Ca 0.09 -0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.93 2wa1 h TYR 28 Cb 0.22 -0.07 -0.00 0.00 1.54 0.00 0.00 36.73 38.42 2wa1 h TYR 28 CO 0.00 0.35 -0.02 0.07 -1.64 0.00 0.00 178.16 176.91 2wa1 h ARG 29 N 0.09 0.00 -0.01 1.82 0.11 -1.23 -1.32 114.38 113.85 2wa1 h ARG 29 Ca 0.05 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.13 2wa1 h ARG 29 Cb 0.21 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.29 2wa1 h ARG 29 CO -0.00 0.02 -0.67 2.89 0.10 0.00 0.00 179.97 182.31 2wa1 n ARG 30 N -3.64 0.88 -1.81 0.08 1.85 -1.22 -1.23 116.66 111.58 2wa1 n ARG 30 Ca -0.03 -0.53 -0.42 0.00 -1.00 0.00 0.00 57.85 55.87 2wa1 n ARG 30 Cb 0.11 -1.44 -0.03 0.00 -1.05 0.00 0.00 32.46 30.05 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 -2.61 3.98 -1.64 2.89 3.52 -0.50 -2.03 118.95 122.57 2wa1 s ARG 31 Ca 0.13 2.31 0.00 0.00 -0.13 0.00 0.00 55.73 58.04 2wa1 s ARG 31 Cb 0.16 -4.13 0.00 0.00 -1.56 0.00 0.00 34.95 29.43 2wa1 s ARG 31 CO 0.67 -1.11 0.00 1.19 -0.81 0.00 0.00 175.30 175.24 2wa1 n PHE 32 N 8.07 0.00 -3.05 5.12 3.72 -1.26 -4.89 117.46 125.16 2wa1 n PHE 32 Ca 0.20 0.00 -0.39 0.00 -0.05 0.00 0.00 57.45 57.21 2wa1 n PHE 32 Cb 0.43 -2.96 -0.05 0.00 -0.94 0.00 0.00 39.48 35.95 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 -2.39 4.69 0.00 -4.37 1.01 -0.86 -5.05 120.40 113.43 2wa1 s VAL 33 Ca 0.00 1.53 0.00 0.00 0.00 0.00 0.00 61.98 63.51 2wa1 s VAL 33 Cb 0.00 -4.06 0.00 0.00 0.00 0.00 0.00 36.38 32.32 2wa1 s VAL 33 CO 0.00 0.42 0.00 0.52 0.00 0.00 0.00 175.10 176.04 2wa1 n VAL 34 N 2.44 0.00 -0.86 2.92 0.31 -0.89 -5.01 118.33 117.24 2wa1 n VAL 34 Ca -0.05 0.06 -0.27 0.00 -0.01 0.00 0.00 64.34 64.07 2wa1 n VAL 34 Cb 0.50 -0.43 0.00 0.00 -0.91 0.00 0.00 33.84 33.01 2wa1 n VAL 34 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 2wa1 n SER 57 N 0.00 -2.39 -0.32 4.52 3.41 -1.26 -4.46 113.62 113.12 2wa1 n SER 57 Ca 0.00 0.47 0.02 0.00 -0.26 0.00 0.00 58.87 59.10 2wa1 n SER 57 Cb 0.00 -0.59 0.15 0.00 -0.26 0.00 0.00 64.21 63.52 2wa1 n SER 57 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 2wa1 h ARG 58 N 0.05 0.96 -0.12 4.33 3.08 -2.01 -1.42 114.38 119.25 2wa1 h ARG 58 Ca -0.27 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 59.71 2wa1 h ARG 58 Cb 0.99 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 30.82 2wa1 h ARG 58 CO 0.29 0.63 0.05 0.78 -1.07 0.00 0.00 179.97 180.66 2wa1 h GLY 59 N 0.99 0.19 0.79 0.04 0.00 -1.99 -1.54 103.07 101.54 2wa1 h GLY 59 Ca 0.39 -0.10 0.02 0.00 0.00 0.00 0.00 47.33 47.64 2wa1 h GLY 59 CO -0.19 0.10 0.02 -0.84 0.00 0.00 0.00 176.54 175.63 2wa1 h THR 60 N 0.03 0.91 -0.86 4.70 2.02 -1.80 -2.43 112.91 115.48 2wa1 h THR 60 Ca 0.04 -0.03 0.05 0.00 0.77 0.00 0.00 66.41 67.24 2wa1 h THR 60 Cb 0.17 0.82 -0.05 0.00 -1.74 0.00 0.00 68.15 67.35 2wa1 h THR 60 CO -0.00 0.02 0.56 0.00 0.37 0.00 0.00 175.52 176.47 2wa1 h ALA 61 N 1.13 1.50 -0.17 6.16 0.00 -1.21 0.57 119.26 127.24 2wa1 h ALA 61 Ca 0.08 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 2wa1 h ALA 61 Cb 0.08 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 2wa1 h ALA 61 CO -0.11 0.40 -0.01 0.87 0.00 0.00 0.00 179.25 180.40 2wa1 h LYS 62 N 1.03 0.31 -0.68 0.00 1.57 -1.05 -0.68 116.57 117.08 2wa1 h LYS 62 Ca 0.35 -0.11 -0.03 0.00 -1.87 0.00 0.00 60.65 59.00 2wa1 h LYS 62 Cb 0.09 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.35 2wa1 h LYS 62 CO -0.11 0.54 0.30 1.25 -0.57 0.00 0.00 179.45 180.86 2wa1 h LEU 63 N 0.05 0.90 -0.59 2.94 5.85 -1.10 -2.02 115.31 121.34 2wa1 h LEU 63 Ca 0.05 -0.15 0.05 0.00 0.84 0.00 0.00 57.88 58.67 2wa1 h LEU 63 Cb 0.41 -0.23 -0.05 0.00 0.37 0.00 0.00 40.66 41.16 2wa1 h LEU 63 CO 0.01 0.80 0.33 0.00 -0.34 0.00 0.00 178.44 179.24 2wa1 h ALA 64 N 1.14 0.78 -0.46 1.25 0.00 -0.83 0.63 119.26 121.76 2wa1 h ALA 64 Ca 0.23 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 2wa1 h ALA 64 Cb 0.16 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 2wa1 h ALA 64 CO -0.02 0.01 0.27 2.35 0.00 0.00 0.00 179.25 181.85 2wa1 h TRP 65 N 0.63 0.62 -0.31 0.00 7.01 -0.85 -0.72 115.95 122.32 2wa1 h TRP 65 Ca 0.26 -0.01 -0.02 0.00 2.11 0.00 0.00 58.89 61.23 2wa1 h TRP 65 Cb 0.13 -0.20 -0.01 0.00 -2.10 0.00 0.00 29.16 26.97 2wa1 h TRP 65 CO -0.08 0.45 0.12 0.82 -2.79 0.00 0.00 178.44 176.95 2wa1 h ILE 66 N 0.61 1.18 0.04 2.65 2.04 -0.97 -2.59 117.51 120.47 2wa1 h ILE 66 Ca 0.16 -0.57 0.03 0.00 1.00 0.00 0.00 64.86 65.48 2wa1 h ILE 66 Cb 0.02 0.98 -0.05 0.00 -0.74 0.00 0.00 36.82 37.03 2wa1 h ILE 66 CO -0.03 0.19 -0.44 -0.78 0.00 0.00 0.00 178.15 177.10 2wa1 h ASP 67 N 0.35 -1.31 0.02 1.72 3.58 -0.73 0.11 116.42 120.16 2wa1 h ASP 67 Ca 0.10 0.15 -0.00 0.00 0.42 0.00 0.00 57.03 57.70 2wa1 h ASP 67 Cb 0.19 0.50 -0.00 0.00 1.72 0.00 0.00 39.33 41.75 2wa1 h ASP 67 CO -0.01 -0.48 -0.00 -0.33 -2.88 0.00 0.00 179.24 175.54 2wa1 h GLU 68 N -0.62 0.00 -0.09 0.28 5.08 -1.08 -0.95 114.58 117.19 2wa1 h GLU 68 Ca 0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 2wa1 h GLU 68 Cb 0.68 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.93 2wa1 h GLU 68 CO -0.30 0.00 0.00 0.54 -1.00 0.00 0.00 179.01 178.26 2wa1 n ARG 69 N -3.69 1.82 -1.07 2.33 5.12 -0.98 -4.93 116.66 115.26 2wa1 n ARG 69 Ca -0.03 -1.21 0.00 0.00 -1.93 0.00 0.00 57.85 54.68 2wa1 n ARG 69 Cb 0.08 -1.45 0.00 0.00 -1.16 0.00 0.00 32.46 29.93 2wa1 n ARG 69 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2wa1 n GLY 70 N 1.21 0.54 0.13 -0.13 0.00 -0.36 -4.96 105.19 101.62 2wa1 n GLY 70 Ca 0.18 -0.85 0.01 0.00 0.00 0.00 0.00 46.02 45.35 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 -5.99 -0.02 0.00 -0.94 -3.38 103.07 92.75 2wa1 h GLY 71 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.18 2wa1 h GLY 71 CO 0.00 0.00 -0.41 0.54 0.00 0.00 0.00 176.54 176.67 2wa1 s VAL 72 N -3.10 -0.28 -0.52 4.60 0.11 -1.26 -0.34 120.40 119.61 2wa1 s VAL 72 Ca 0.02 0.17 -0.28 0.00 -2.93 0.00 0.00 61.98 58.96 2wa1 s VAL 72 Cb 0.09 -0.54 0.02 0.00 -1.53 0.00 0.00 36.38 34.42 2wa1 s VAL 72 CO 0.75 0.07 1.37 -0.70 -3.33 0.00 0.00 175.10 173.26 2wa1 s GLU 73 N 1.92 3.42 -0.44 1.54 2.12 -1.26 -4.72 118.70 121.29 2wa1 s GLU 73 Ca -0.05 0.55 -0.26 0.00 0.36 0.00 0.00 54.97 55.57 2wa1 s GLU 73 Cb -0.11 -4.07 0.02 0.00 0.26 0.00 0.00 34.13 30.24 2wa1 s GLU 73 CO -0.11 -1.78 0.96 -0.51 -0.54 0.00 0.00 175.26 173.28 2wa1 s LEU 74 N 5.68 3.94 0.16 2.70 1.43 -1.26 -4.77 118.68 126.56 2wa1 s LEU 74 Ca 0.53 0.32 -0.23 0.00 -1.03 0.00 0.00 54.13 53.72 2wa1 s LEU 74 Cb -0.11 -3.28 0.07 0.00 0.03 0.00 0.00 46.19 42.90 2wa1 s LEU 74 CO 0.27 -1.03 0.62 -1.59 0.23 0.00 0.00 176.35 174.85 2wa1 s LYS 75 N 3.80 1.31 6.31 1.70 -2.85 -1.26 -4.24 119.74 124.51 2wa1 s LYS 75 Ca 0.39 -0.50 0.00 0.00 -1.00 0.00 0.00 55.97 54.86 2wa1 s LYS 75 Cb -0.10 0.59 0.00 0.00 -2.06 0.00 0.00 37.83 36.26 2wa1 s LYS 75 CO 0.25 -0.57 0.00 0.41 0.10 0.00 0.00 175.35 175.54 2wa1 n GLY 76 N -0.38 3.12 3.65 0.59 0.00 -0.50 -4.07 105.19 107.59 2wa1 n GLY 76 Ca -0.16 -0.31 -0.41 0.00 0.00 0.00 0.00 46.02 45.14 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 4.87 -0.21 2.61 2.01 -1.26 -0.48 115.64 123.18 2wa1 s THR 77 Ca 0.00 1.52 -0.07 0.00 0.31 0.00 0.00 61.69 63.45 2wa1 s THR 77 Cb 0.00 -4.10 -0.03 0.00 0.01 0.00 0.00 72.50 68.38 2wa1 s THR 77 CO 0.00 -0.04 0.06 -0.69 -0.69 0.00 0.00 174.62 173.26 2wa1 s VAL 78 N 2.63 4.50 -0.20 3.82 1.01 0.73 -0.36 120.40 132.53 2wa1 s VAL 78 Ca 0.34 -0.12 -0.08 0.00 0.00 0.00 0.00 61.98 62.12 2wa1 s VAL 78 Cb -0.16 -3.06 -0.04 0.00 0.00 0.00 0.00 36.38 33.12 2wa1 s VAL 78 CO 0.08 0.41 0.08 -0.69 0.00 0.00 0.00 175.10 174.99 2wa1 s VAL 79 N 0.93 4.85 -0.47 2.92 1.01 -0.35 -0.65 120.40 128.64 2wa1 s VAL 79 Ca 0.03 -0.01 -0.06 0.00 0.00 0.00 0.00 61.98 61.95 2wa1 s VAL 79 Cb -0.14 -3.21 0.12 0.00 0.00 0.00 0.00 36.38 33.15 2wa1 s VAL 79 CO 0.03 0.42 0.31 -0.62 0.00 0.00 0.00 175.10 175.23 2wa1 s ASP 80 N 0.69 5.51 -0.19 3.32 2.15 -0.60 0.05 116.67 127.60 2wa1 s ASP 80 Ca 0.04 -2.07 -0.23 0.00 0.43 0.00 0.00 52.55 50.72 2wa1 s ASP 80 Cb -0.13 -1.93 -0.02 0.00 -0.30 0.00 0.00 42.92 40.54 2wa1 s ASP 80 CO 0.02 -0.60 0.74 -0.76 -0.17 0.00 0.00 175.17 174.40 2wa1 s LEU 81 N 1.11 4.16 -0.47 -1.34 1.43 -0.09 -1.36 118.68 122.12 2wa1 s LEU 81 Ca 0.08 1.02 -0.00 0.00 -1.03 0.00 0.00 54.13 54.20 2wa1 s LEU 81 Cb -0.24 -3.08 -0.00 0.00 0.03 0.00 0.00 46.19 42.90 2wa1 s LEU 81 CO -0.03 -0.35 0.39 0.61 0.23 0.00 0.00 176.35 177.21 2wa1 n GLY 82 N 3.62 0.12 0.28 -3.19 0.00 0.79 -3.91 105.19 102.90 2wa1 n GLY 82 Ca 0.02 -0.24 0.15 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.75 3.27 0.05 0.00 0.00 -1.26 -1.53 105.19 104.97 2wa1 n GLY 84 Ca -0.02 -0.15 0.10 0.00 0.00 0.00 0.00 46.02 45.95 2wa1 n GLY 84 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2wa1 n ARG 85 N 13.70 0.09 -0.02 1.61 1.85 -1.25 -1.87 116.66 130.77 2wa1 n ARG 85 Ca 0.00 0.29 0.00 0.00 -1.00 0.00 0.00 57.85 57.14 2wa1 n ARG 85 Cb 0.00 -1.66 0.00 0.00 -1.05 0.00 0.00 32.46 29.75 2wa1 n ARG 85 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2wa1 n GLY 86 N 0.22 0.99 0.21 2.89 0.00 -0.58 -1.43 105.19 107.49 2wa1 n GLY 86 Ca 0.03 -0.01 -0.02 0.00 0.00 0.00 0.00 46.02 46.03 2wa1 n GLY 86 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2wa1 h SER 87 N 0.00 -0.02 0.04 1.61 0.02 -1.91 -0.39 113.55 112.90 2wa1 h SER 87 Ca 0.00 0.10 -0.11 0.00 -0.84 0.00 0.00 61.79 60.94 2wa1 h SER 87 Cb 0.00 0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.67 2wa1 h SER 87 CO 0.00 0.01 -0.36 -0.50 -1.14 0.00 0.00 176.83 174.85 2wa1 h TRP 88 N 0.23 0.50 -0.23 3.45 4.06 -1.88 -1.69 115.95 120.40 2wa1 h TRP 88 Ca 0.27 -0.13 -0.06 0.00 2.06 0.00 0.00 58.89 61.03 2wa1 h TRP 88 Cb 0.37 -0.11 -0.01 0.00 -1.00 0.00 0.00 29.16 28.41 2wa1 h TRP 88 CO -0.24 0.74 -0.10 0.77 -3.56 0.00 0.00 178.44 176.05 2wa1 h SER 89 N 0.37 0.48 -0.69 -3.49 0.02 -1.72 -0.20 113.55 108.32 2wa1 h SER 89 Ca 0.04 -0.40 -0.03 0.00 -0.84 0.00 0.00 61.79 60.56 2wa1 h SER 89 Cb 0.80 -0.13 -0.03 0.00 0.14 0.00 0.00 62.40 63.18 2wa1 h SER 89 CO 0.06 0.77 0.32 1.88 -1.14 0.00 0.00 176.83 178.72 2wa1 h TYR 90 N 0.18 1.01 0.13 3.45 0.05 -1.05 -1.00 116.97 119.75 2wa1 h TYR 90 Ca 0.05 -0.06 -0.01 0.00 0.05 0.00 0.00 58.73 58.77 2wa1 h TYR 90 Cb 0.59 -0.31 0.00 0.00 1.01 0.00 0.00 36.73 38.02 2wa1 h TYR 90 CO 0.06 0.76 -0.06 -0.92 -1.05 0.00 0.00 178.16 176.95 2wa1 h TYR 91 N 0.96 -0.16 -0.90 4.88 3.20 -1.19 -2.92 116.97 120.84 2wa1 h TYR 91 Ca 0.23 -0.00 0.06 0.00 3.14 0.00 0.00 58.73 62.16 2wa1 h TYR 91 Cb 0.14 0.05 -0.06 0.00 1.54 0.00 0.00 36.73 38.41 2wa1 h TYR 91 CO 0.01 0.02 0.59 0.00 -1.64 0.00 0.00 178.16 177.14 2wa1 h ALA 92 N 0.53 1.49 0.00 1.82 0.00 -0.89 -2.31 119.26 119.89 2wa1 h ALA 92 Ca -0.02 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2wa1 h ALA 92 Cb 0.26 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2wa1 h ALA 92 CO 0.03 0.39 0.00 0.00 0.00 0.00 0.00 179.25 179.66 2wa1 n ALA 93 N -2.40 1.72 0.77 0.00 0.00 -0.39 -2.19 120.51 118.03 2wa1 n ALA 93 Ca 0.13 -0.03 0.11 0.00 0.00 0.00 0.00 53.44 53.65 2wa1 n ALA 93 Cb 0.17 -1.28 0.12 0.00 0.00 0.00 0.00 19.45 18.46 2wa1 n ALA 93 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2wa1 n SER 94 N -1.62 2.96 -4.85 0.00 7.64 -0.87 -4.43 113.62 112.45 2wa1 n SER 94 Ca 0.04 -1.93 -0.37 0.00 1.01 0.00 0.00 58.87 57.61 2wa1 n SER 94 Cb 0.20 -0.05 -0.06 0.00 -1.01 0.00 0.00 64.21 63.28 2wa1 n SER 94 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 2wa1 s GLN 95 N -1.74 3.77 0.52 1.43 -1.52 -0.93 -5.01 119.66 116.17 2wa1 s GLN 95 Ca 0.28 0.24 0.24 0.00 -1.95 0.00 0.00 55.36 54.17 2wa1 s GLN 95 Cb 0.19 -3.18 1.41 0.00 -0.22 0.00 0.00 33.01 31.21 2wa1 s GLN 95 CO 0.28 0.70 2.10 -1.00 -0.25 0.00 0.00 175.29 177.12 2wa1 h PRO 96 N 4.64 0.00 -0.54 2.91 0.13 -1.90 -2.91 132.00 134.33 2wa1 h PRO 96 Ca -0.52 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.61 2wa1 h PRO 96 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2wa1 h PRO 96 CO 0.61 0.10 0.00 0.09 -0.23 0.00 0.00 178.00 178.58 2wa1 n ASN 97 N -3.91 3.57 -4.73 1.44 5.03 -1.26 -4.95 115.26 110.44 2wa1 n ASN 97 Ca -0.02 -1.98 -0.39 0.00 0.87 0.00 0.00 54.58 53.07 2wa1 n ASN 97 Cb 0.20 -0.35 -0.06 0.00 -1.02 0.00 0.00 39.78 38.55 2wa1 n ASN 97 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 2wa1 s VAL 98 N -1.15 5.09 -0.11 2.41 1.01 -1.10 -1.41 120.40 125.13 2wa1 s VAL 98 Ca 0.40 1.13 0.15 0.00 0.00 0.00 0.00 61.98 63.67 2wa1 s VAL 98 Cb 0.22 -3.89 -0.22 0.00 0.00 0.00 0.00 36.38 32.49 2wa1 s VAL 98 CO 0.29 0.34 0.16 0.54 0.00 0.00 0.00 175.10 176.43 2wa1 n ARG 99 N 3.43 1.10 -3.57 2.72 1.74 0.37 -4.83 116.66 117.63 2wa1 n ARG 99 Ca -0.06 -0.06 -0.14 0.00 -0.77 0.00 0.00 57.85 56.82 2wa1 n ARG 99 Cb 0.51 -1.41 -0.06 0.00 -1.02 0.00 0.00 32.46 30.49 2wa1 n ARG 99 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 2wa1 s GLU 100 N -2.66 0.81 -0.14 5.56 2.12 -1.07 -4.94 118.70 118.38 2wa1 s GLU 100 Ca -0.07 0.38 0.00 0.00 0.36 0.00 0.00 54.97 55.64 2wa1 s GLU 100 Cb 0.07 0.39 0.03 0.00 0.26 0.00 0.00 34.13 34.87 2wa1 s GLU 100 CO 0.67 -0.22 -0.11 0.08 -0.54 0.00 0.00 175.26 175.14 2wa1 s VAL 101 N -0.74 1.38 -0.31 3.70 1.01 0.08 -0.19 120.40 125.33 2wa1 s VAL 101 Ca -0.05 -0.55 -0.04 0.00 0.00 0.00 0.00 61.98 61.35 2wa1 s VAL 101 Cb -0.02 -1.35 0.04 0.00 0.00 0.00 0.00 36.38 35.06 2wa1 s VAL 101 CO 0.04 0.39 0.04 -0.54 0.00 0.00 0.00 175.10 175.03 2wa1 s LYS 102 N 1.56 2.57 -0.10 2.72 1.02 0.18 -1.36 119.74 126.33 2wa1 s LYS 102 Ca 0.04 -1.19 0.02 0.00 0.02 0.00 0.00 55.97 54.87 2wa1 s LYS 102 Cb -0.13 -3.28 -0.01 0.00 -0.52 0.00 0.00 37.83 33.89 2wa1 s LYS 102 CO -0.10 -0.61 -0.17 0.00 -0.92 0.00 0.00 175.35 173.55 2wa1 s ALA 103 N 1.33 2.47 -0.01 5.17 0.00 -0.37 -1.56 121.76 128.79 2wa1 s ALA 103 Ca -0.03 -0.95 0.03 0.00 0.00 0.00 0.00 51.96 51.00 2wa1 s ALA 103 Cb -0.19 -0.99 -0.01 0.00 0.00 0.00 0.00 23.12 21.93 2wa1 s ALA 103 CO 0.00 0.35 -0.08 0.71 0.00 0.00 0.00 175.76 176.74 2wa1 s TYR 104 N 0.04 0.77 0.14 0.00 2.02 -0.46 -0.67 117.35 119.19 2wa1 s TYR 104 Ca -0.07 -0.15 -0.18 0.00 -0.37 0.00 0.00 57.07 56.31 2wa1 s TYR 104 Cb -0.15 -0.51 0.04 0.00 -0.40 0.00 0.00 41.96 40.95 2wa1 s TYR 104 CO 0.05 -0.02 0.45 -0.08 -1.57 0.00 0.00 175.55 174.38 2wa1 s THR 105 N -0.15 0.05 -0.02 -0.71 -1.32 -0.63 -0.15 115.64 112.71 2wa1 s THR 105 Ca 0.03 -0.46 -0.23 0.00 -1.21 0.00 0.00 61.69 59.82 2wa1 s THR 105 Cb -0.04 -1.15 -0.15 0.00 -1.51 0.00 0.00 72.50 69.65 2wa1 s THR 105 CO -0.00 -0.24 1.02 0.25 -2.21 0.00 0.00 174.62 173.44 2wa1 h LEU 106 N 2.28 -0.35 0.00 9.08 5.85 -1.83 -2.00 115.31 128.34 2wa1 h LEU 106 Ca -0.34 -0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.19 2wa1 h LEU 106 Cb 1.27 0.09 0.00 0.00 0.37 0.00 0.00 40.66 42.39 2wa1 h LEU 106 CO 0.44 0.09 0.00 0.61 -0.34 0.00 0.00 178.44 179.24 2wa1 n GLY 107 N 0.06 0.12 0.00 3.75 0.00 -1.25 -0.98 105.19 106.89 2wa1 n GLY 107 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.05 0.00 -1.68 2.61 -2.24 -1.26 -4.67 114.28 104.99 2wa1 n THR 108 Ca 0.00 0.00 -0.51 0.00 -2.27 0.00 0.00 64.05 61.27 2wa1 n THR 108 Cb 0.14 -1.86 -0.05 0.00 -2.10 0.00 0.00 70.33 66.45 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 -2.70 2.90 0.00 3.42 2.88 -1.26 -2.07 113.62 116.79 2wa1 n SER 109 Ca 0.00 1.04 0.00 0.00 -1.33 0.00 0.00 58.87 58.58 2wa1 n SER 109 Cb 0.00 -1.30 0.00 0.00 -0.75 0.00 0.00 64.21 62.16 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 3.98 1.80 3.58 0.46 0.00 -1.26 -5.07 105.19 108.68 2wa1 n GLY 110 Ca 0.22 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.01 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 -2.42 2.53 0.11 1.61 4.02 -0.88 -5.10 115.29 115.17 2wa1 s HIS 111 Ca 0.00 -0.27 -0.31 0.00 1.02 0.00 0.00 55.06 55.50 2wa1 s HIS 111 Cb 0.00 -1.12 -0.08 0.00 -1.02 0.00 0.00 32.58 30.36 2wa1 s HIS 111 CO 0.00 0.66 1.39 -1.21 1.02 0.00 0.00 174.74 176.59 2wa1 s GLU 112 N -3.61 4.32 0.08 1.40 0.41 -1.26 -4.59 118.70 115.45 2wa1 s GLU 112 Ca 0.31 2.07 0.04 0.00 -0.41 0.00 0.00 54.97 56.98 2wa1 s GLU 112 Cb -0.06 -3.26 -0.04 0.00 -1.78 0.00 0.00 34.13 29.00 2wa1 s GLU 112 CO 0.18 -0.44 0.01 -1.59 -0.49 0.00 0.00 175.26 172.94 2wa1 s LYS 113 N 1.14 2.63 0.12 1.61 -2.85 -1.26 -3.75 119.74 117.38 2wa1 s LYS 113 Ca 0.64 -0.79 -0.36 0.00 -1.00 0.00 0.00 55.97 54.47 2wa1 s LYS 113 Cb -0.37 -2.59 -0.16 0.00 -2.06 0.00 0.00 37.83 32.66 2wa1 s LYS 113 CO 0.30 0.55 1.43 -2.30 0.10 0.00 0.00 175.35 175.43 2wa1 n PRO 114 N 0.63 1.53 -3.63 1.78 -0.02 -0.78 -3.93 135.00 130.58 2wa1 n PRO 114 Ca -0.11 0.55 -0.36 0.00 -2.02 0.00 0.00 63.50 61.57 2wa1 n PRO 114 Cb 0.52 -2.24 -0.08 0.00 -0.02 0.00 0.00 33.50 31.68 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 0.62 4.18 -0.25 -0.52 3.52 -0.51 -4.97 118.95 121.02 2wa1 s ARG 115 Ca 0.82 -0.10 -0.22 0.00 -0.13 0.00 0.00 55.73 56.10 2wa1 s ARG 115 Cb -0.85 -3.46 -0.01 0.00 -1.56 0.00 0.00 34.95 29.07 2wa1 s ARG 115 CO 0.44 0.20 0.72 -0.51 -0.81 0.00 0.00 175.30 175.34 2wa1 s LEU 116 N 0.62 4.07 0.12 -0.88 1.43 -1.26 -4.86 118.68 117.93 2wa1 s LEU 116 Ca 0.11 0.87 0.08 0.00 -1.03 0.00 0.00 54.13 54.16 2wa1 s LEU 116 Cb -0.12 -3.02 -0.04 0.00 0.03 0.00 0.00 46.19 43.04 2wa1 s LEU 116 CO 0.02 -0.43 -0.20 0.68 0.23 0.00 0.00 176.35 176.65 2wa1 s VAL 117 N 2.63 1.70 -0.58 -1.59 -7.23 -1.26 -5.10 120.40 108.97 2wa1 s VAL 117 Ca 0.30 -1.63 -0.28 0.00 -1.81 0.00 0.00 61.98 58.57 2wa1 s VAL 117 Cb -0.15 -1.60 0.03 0.00 0.56 0.00 0.00 36.38 35.21 2wa1 s VAL 117 CO 0.08 -0.14 1.16 -1.83 -0.31 0.00 0.00 175.10 174.06 2wa1 s GLU 118 N -2.14 3.48 0.04 4.82 1.03 -1.26 -4.87 118.70 119.79 2wa1 s GLU 118 Ca 0.08 0.16 0.01 0.00 0.03 0.00 0.00 54.97 55.25 2wa1 s GLU 118 Cb -0.09 -4.03 -0.03 0.00 -0.80 0.00 0.00 34.13 29.19 2wa1 s GLU 118 CO 0.05 -1.67 -0.05 -0.08 -1.33 0.00 0.00 175.26 172.18 2wa1 s THR 119 N 4.84 0.30 0.46 1.83 -1.32 -1.26 -5.03 115.64 115.46 2wa1 s THR 119 Ca 0.41 -1.17 0.23 0.00 -1.21 0.00 0.00 61.69 59.95 2wa1 s THR 119 Cb -0.08 -0.66 0.27 0.00 -1.51 0.00 0.00 72.50 70.52 2wa1 s THR 119 CO 0.24 -0.57 2.08 -0.26 -2.21 0.00 0.00 174.62 173.91 2wa1 h PHE 120 N 4.25 0.00 0.00 9.09 0.04 -1.96 -2.33 116.94 126.03 2wa1 h PHE 120 Ca -0.34 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.43 2wa1 h PHE 120 Cb 1.19 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.34 2wa1 h PHE 120 CO 0.63 0.11 0.00 0.41 -0.60 0.00 0.00 178.31 178.86 2wa1 n GLY 121 N -0.94 -0.92 0.27 -1.45 0.00 -1.26 -4.40 105.19 96.49 2wa1 n GLY 121 Ca -0.02 -0.12 0.05 0.00 0.00 0.00 0.00 46.02 45.92 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 0.31 -0.00 1.61 5.08 -1.75 -0.76 115.95 120.43 2wa1 h TRP 122 Ca 0.00 0.04 0.00 0.00 1.08 0.00 0.00 58.89 60.01 2wa1 h TRP 122 Cb 0.00 -0.03 0.00 0.00 -3.00 0.00 0.00 29.16 26.13 2wa1 h TRP 122 CO 0.00 -0.05 -0.11 0.27 -1.28 0.00 0.00 178.44 177.26 2wa1 n ASN 123 N -5.12 0.17 0.13 0.11 6.94 -1.26 -3.07 115.26 113.15 2wa1 n ASN 123 Ca 0.14 0.10 0.13 0.00 -0.02 0.00 0.00 54.58 54.93 2wa1 n ASN 123 Cb 0.44 -0.26 0.37 0.00 -2.36 0.00 0.00 39.78 37.97 2wa1 n ASN 123 CO 0.00 0.00 0.00 -0.07 -1.03 0.00 0.00 177.26 176.16 2wa1 h LEU 124 N 0.09 0.00 -9.23 -4.53 3.38 -1.44 -3.46 115.31 100.11 2wa1 h LEU 124 Ca 0.00 0.00 -0.64 0.00 0.09 0.00 0.00 57.88 57.33 2wa1 h LEU 124 Cb 0.45 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.06 2wa1 h LEU 124 CO 0.00 0.00 -0.56 -0.63 0.09 0.00 0.00 178.44 177.34 2wa1 s ILE 125 N -3.14 4.81 -0.21 1.22 1.01 -1.18 -0.74 121.20 122.97 2wa1 s ILE 125 Ca 0.10 -0.04 0.01 0.00 0.00 0.00 0.00 60.65 60.72 2wa1 s ILE 125 Cb 0.11 -3.12 0.03 0.00 0.01 0.00 0.00 42.46 39.49 2wa1 s ILE 125 CO 0.60 0.52 -0.17 -0.89 0.00 0.00 0.00 174.94 175.00 2wa1 s THR 126 N -0.14 2.14 -0.12 2.92 2.01 -0.46 -5.00 115.64 116.99 2wa1 s THR 126 Ca 0.07 -1.14 -0.17 0.00 0.31 0.00 0.00 61.69 60.76 2wa1 s THR 126 Cb -0.12 -2.02 -0.04 0.00 0.01 0.00 0.00 72.50 70.33 2wa1 s THR 126 CO 0.01 0.36 0.42 -0.36 -0.69 0.00 0.00 174.62 174.36 2wa1 s PHE 127 N 1.24 3.51 -0.16 4.92 0.08 -1.26 -1.23 117.98 125.08 2wa1 s PHE 127 Ca 0.01 0.81 0.00 0.00 0.12 0.00 0.00 56.93 57.87 2wa1 s PHE 127 Cb -0.15 -2.48 0.03 0.00 -0.57 0.00 0.00 43.02 39.84 2wa1 s PHE 127 CO -0.10 0.21 -0.14 0.21 -0.10 0.00 0.00 175.22 175.30 2wa1 s LYS 128 N 0.49 2.28 0.65 0.44 2.20 0.15 -4.99 119.74 120.97 2wa1 s LYS 128 Ca 0.23 -0.63 0.01 0.00 -0.36 0.00 0.00 55.97 55.23 2wa1 s LYS 128 Cb -0.15 -2.19 0.10 0.00 -1.51 0.00 0.00 37.83 34.08 2wa1 s LYS 128 CO 0.09 -0.27 0.90 -1.12 -0.36 0.00 0.00 175.35 174.59 2wa1 s SER 129 N 1.46 4.71 -1.42 1.43 0.01 -1.26 -1.60 113.70 117.02 2wa1 s SER 129 Ca 0.04 -0.33 -0.06 0.00 1.31 0.00 0.00 55.95 56.91 2wa1 s SER 129 Cb -0.13 -0.22 0.03 0.00 0.21 0.00 0.00 66.02 65.91 2wa1 s SER 129 CO -0.10 -1.59 0.50 0.29 0.41 0.00 0.00 173.24 172.74 2wa1 n LYS 130 N -2.62 -4.01 -4.20 12.44 5.02 -0.15 -4.87 118.16 119.78 2wa1 n LYS 130 Ca 0.13 0.72 -0.34 0.00 -2.02 0.00 0.00 58.31 56.79 2wa1 n LYS 130 Cb 0.60 -5.50 -0.13 0.00 -0.02 0.00 0.00 35.03 29.99 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 -3.03 3.78 -0.59 -0.18 1.01 -0.79 -4.98 120.40 115.61 2wa1 s VAL 131 Ca 0.31 -0.38 -0.23 0.00 0.00 0.00 0.00 61.98 61.68 2wa1 s VAL 131 Cb -0.15 -2.68 0.05 0.00 0.00 0.00 0.00 36.38 33.60 2wa1 s VAL 131 CO 0.38 0.45 0.93 -0.62 0.00 0.00 0.00 175.10 176.24 2wa1 s ASP 132 N 0.84 6.27 0.28 3.32 -1.08 -1.26 -3.12 116.67 121.91 2wa1 s ASP 132 Ca -0.00 -0.62 0.24 0.00 -0.52 0.00 0.00 52.55 51.65 2wa1 s ASP 132 Cb -0.14 -2.42 1.02 0.00 -1.46 0.00 0.00 42.92 39.92 2wa1 s ASP 132 CO 0.02 -1.28 1.72 1.33 0.52 0.00 0.00 175.17 177.48 2wa1 n VAL 133 N 6.06 0.83 0.30 1.11 0.24 -1.26 -1.48 118.33 124.13 2wa1 n VAL 133 Ca -0.01 0.27 0.15 0.00 -2.04 0.00 0.00 64.34 62.72 2wa1 n VAL 133 Cb 0.47 -1.22 0.54 0.00 -1.47 0.00 0.00 33.84 32.15 2wa1 n VAL 133 CO 0.00 0.00 0.00 0.71 -2.14 0.00 0.00 176.83 175.40 2wa1 h THR 134 N 0.00 0.00 -0.00 3.34 1.35 -1.98 -3.24 112.91 112.39 2wa1 h THR 134 Ca 0.00 -0.56 0.00 0.00 -0.55 0.00 0.00 66.41 65.30 2wa1 h THR 134 Cb 0.34 1.52 0.00 0.00 -1.73 0.00 0.00 68.15 68.28 2wa1 h THR 134 CO 0.00 0.00 -0.64 0.29 -0.25 0.00 0.00 175.52 174.92 2wa1 n LYS 135 N -2.92 1.91 -2.16 4.72 5.02 -0.55 -4.99 118.16 119.19 2wa1 n LYS 135 Ca 0.02 -0.17 -0.42 0.00 -2.02 0.00 0.00 58.31 55.72 2wa1 n LYS 135 Cb 0.34 -1.23 -0.03 0.00 -0.02 0.00 0.00 35.03 34.10 2wa1 n LYS 135 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 2wa1 s MET 136 N -2.32 4.33 0.30 1.97 -1.94 -1.15 -5.02 119.30 115.48 2wa1 s MET 136 Ca 0.07 2.11 -0.29 0.00 -1.71 0.00 0.00 55.69 55.87 2wa1 s MET 136 Cb 0.12 -3.21 -0.10 0.00 2.01 0.00 0.00 34.83 33.65 2wa1 s MET 136 CO 0.58 -0.38 1.20 -1.21 -0.01 0.00 0.00 175.02 175.19 2wa1 s GLU 137 N 0.57 4.50 0.69 2.03 2.02 -1.26 -5.02 118.70 122.23 2wa1 s GLU 137 Ca 0.62 2.01 -0.15 0.00 0.02 0.00 0.00 54.97 57.46 2wa1 s GLU 137 Cb -0.38 -3.13 0.02 0.00 0.10 0.00 0.00 34.13 30.74 2wa1 s GLU 137 CO 0.34 0.01 1.17 -2.14 0.02 0.00 0.00 175.26 174.66 2wa1 s PRO 138 N -1.59 2.45 0.33 0.39 0.02 -1.26 -5.06 135.00 130.29 2wa1 s PRO 138 Ca 0.47 1.62 0.03 0.00 0.02 0.00 0.00 61.00 63.13 2wa1 s PRO 138 Cb -0.36 -1.89 -0.01 0.00 0.02 0.00 0.00 34.50 32.27 2wa1 s PRO 138 CO 0.47 -1.56 0.38 1.97 -0.33 0.00 0.00 177.00 177.92 2wa1 n PHE 139 N -2.52 -1.11 -1.68 6.54 1.16 -1.26 -5.10 117.46 113.49 2wa1 n PHE 139 Ca 0.12 -2.53 -0.45 0.00 -1.87 0.00 0.00 57.45 52.72 2wa1 n PHE 139 Cb 0.51 0.42 -0.04 0.00 -1.61 0.00 0.00 39.48 38.76 2wa1 n PHE 139 CO 0.00 0.00 0.00 0.94 -1.87 0.00 0.00 176.76 175.83 2wa1 n GLN 140 N -0.59 2.23 -3.69 3.97 0.00 -1.26 -4.88 117.38 113.16 2wa1 n GLN 140 Ca 0.04 0.80 -0.11 0.00 -0.00 0.00 0.00 57.00 57.74 2wa1 n GLN 140 Cb 0.58 -2.57 -0.09 0.00 0.00 0.00 0.00 30.24 28.16 2wa1 n GLN 140 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2wa1 s ALA 141 N 0.82 -1.27 -0.21 1.69 0.00 -1.26 -4.96 121.76 116.57 2wa1 s ALA 141 Ca 0.77 1.65 0.20 0.00 0.00 0.00 0.00 51.96 54.59 2wa1 s ALA 141 Cb -0.65 -0.98 -0.02 0.00 0.00 0.00 0.00 23.12 21.47 2wa1 s ALA 141 CO 0.39 -0.28 1.02 -0.44 0.00 0.00 0.00 175.76 176.45 2wa1 h ASP 142 N 6.43 0.00 -3.37 0.00 3.32 -0.94 -3.45 116.42 118.42 2wa1 h ASP 142 Ca -0.32 0.00 -0.32 0.00 0.02 0.00 0.00 57.03 56.41 2wa1 h ASP 142 Cb 1.19 0.00 -0.36 0.00 0.22 0.00 0.00 39.33 40.38 2wa1 h ASP 142 CO 0.23 0.21 -0.70 -0.89 -1.72 0.00 0.00 179.24 176.36 2wa1 s THR 143 N -3.20 -0.11 -0.25 0.35 2.01 -0.73 -1.32 115.64 112.41 2wa1 s THR 143 Ca -0.01 0.32 -0.05 0.00 0.31 0.00 0.00 61.69 62.25 2wa1 s THR 143 Cb 0.09 -0.16 -0.01 0.00 0.01 0.00 0.00 72.50 72.43 2wa1 s THR 143 CO 0.79 0.13 0.02 -0.69 -0.69 0.00 0.00 174.62 174.18 2wa1 s VAL 144 N 1.68 3.76 -0.02 3.82 1.01 0.12 -1.21 120.40 129.57 2wa1 s VAL 144 Ca -0.02 -0.46 0.07 0.00 0.00 0.00 0.00 61.98 61.57 2wa1 s VAL 144 Cb -0.12 -2.79 -0.02 0.00 0.00 0.00 0.00 36.38 33.45 2wa1 s VAL 144 CO -0.04 0.31 -0.23 -0.76 0.00 0.00 0.00 175.10 174.39 2wa1 s LEU 145 N 1.52 2.27 -0.27 3.92 1.43 0.11 -1.57 118.68 126.09 2wa1 s LEU 145 Ca 0.05 -0.40 -0.06 0.00 -1.03 0.00 0.00 54.13 52.69 2wa1 s LEU 145 Cb -0.15 -1.40 0.14 0.00 0.03 0.00 0.00 46.19 44.80 2wa1 s LEU 145 CO -0.00 0.32 0.54 0.00 0.23 0.00 0.00 176.35 177.43 2wa1 n ASP 147 N 5.42 4.43 -4.73 0.00 2.03 -1.25 -0.78 116.55 121.66 2wa1 n ASP 147 Ca -0.07 -3.74 -0.41 0.00 0.52 0.00 0.00 54.79 51.09 2wa1 n ASP 147 Cb 0.50 -0.73 -0.04 0.00 -0.72 0.00 0.00 41.12 40.12 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 -3.85 4.38 0.00 5.18 1.01 -1.26 -4.89 121.20 121.77 2wa1 s ILE 148 Ca 0.54 1.99 0.00 0.00 0.00 0.00 0.00 60.65 63.17 2wa1 s ILE 148 Cb 0.45 -4.27 0.00 0.00 0.01 0.00 0.00 42.46 38.65 2wa1 s ILE 148 CO 0.03 0.31 0.00 0.61 0.00 0.00 0.00 174.94 175.89 2wa1 n GLY 149 N 2.22 0.66 3.65 6.18 0.00 -1.26 -4.73 105.19 111.92 2wa1 n GLY 149 Ca 0.02 0.47 -0.41 0.00 0.00 0.00 0.00 46.02 46.10 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 -0.02 4.22 0.47 1.61 2.12 -1.26 -4.97 118.70 120.87 2wa1 s GLU 150 Ca 0.00 0.83 -0.23 0.00 0.36 0.00 0.00 54.97 55.93 2wa1 s GLU 150 Cb 0.00 -3.60 -0.09 0.00 0.26 0.00 0.00 34.13 30.70 2wa1 s GLU 150 CO 0.00 -0.36 1.09 0.43 -0.54 0.00 0.00 175.26 175.88 2wa1 n SER 151 N 5.44 1.57 -3.83 -1.70 7.64 -1.26 -4.89 113.62 116.59 2wa1 n SER 151 Ca 0.02 1.00 -0.12 0.00 1.01 0.00 0.00 58.87 60.78 2wa1 n SER 151 Cb 0.49 -1.41 -0.11 0.00 -1.01 0.00 0.00 64.21 62.16 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 -0.81 -0.11 0.59 6.43 3.84 -1.26 -5.05 114.94 118.57 2wa1 s ASN 152 Ca 0.66 0.11 0.33 0.00 0.21 0.00 0.00 52.86 54.17 2wa1 s ASN 152 Cb -0.50 0.31 1.86 0.00 -0.55 0.00 0.00 41.25 42.37 2wa1 s ASN 152 CO 0.54 -0.23 2.23 -0.65 -2.79 0.00 0.00 177.10 176.20 2wa1 h PRO 153 N 4.99 0.00 -5.33 0.43 0.11 -2.01 -3.40 132.00 126.78 2wa1 h PRO 153 Ca -0.28 0.00 -0.63 0.00 0.11 0.00 0.00 66.00 65.20 2wa1 h PRO 153 Cb 1.19 0.00 -0.14 0.00 0.11 0.00 0.00 31.00 32.17 2wa1 h PRO 153 CO 0.39 0.03 -0.00 0.99 -0.21 0.00 0.00 178.00 179.20 2wa1 s THR 154 N -4.39 5.02 0.37 -1.15 2.01 -1.26 -4.96 115.64 111.27 2wa1 s THR 154 Ca -0.04 0.63 0.06 0.00 0.31 0.00 0.00 61.69 62.65 2wa1 s THR 154 Cb 0.14 -3.92 0.20 0.00 0.01 0.00 0.00 72.50 68.93 2wa1 s THR 154 CO 0.53 -0.09 1.94 0.00 -0.69 0.00 0.00 174.62 176.31 2wa1 h ALA 155 N 8.25 1.50 -0.72 7.40 0.00 -1.99 -1.98 119.26 131.71 2wa1 h ALA 155 Ca -0.28 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.44 2wa1 h ALA 155 Cb 1.13 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.74 2wa1 h ALA 155 CO 0.76 0.37 0.28 0.00 0.00 0.00 0.00 179.25 180.66 2wa1 h ALA 156 N 1.60 1.13 -0.20 0.00 0.00 -1.95 0.20 119.26 120.03 2wa1 h ALA 156 Ca 0.12 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 2wa1 h ALA 156 Cb 0.20 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 2wa1 h ALA 156 CO -0.00 0.62 0.10 0.28 0.00 0.00 0.00 179.25 180.24 2wa1 h VAL 157 N 1.05 1.14 -0.83 0.00 2.07 -1.76 -1.59 116.25 116.32 2wa1 h VAL 157 Ca 0.24 -0.39 0.03 0.00 0.82 0.00 0.00 66.70 67.40 2wa1 h VAL 157 Cb 0.21 1.03 -0.05 0.00 -1.52 0.00 0.00 31.29 30.96 2wa1 h VAL 157 CO -0.02 0.13 0.55 -0.33 0.02 0.00 0.00 177.57 177.92 2wa1 h GLU 158 N 0.19 1.02 -0.42 1.57 5.08 -1.14 -1.59 114.58 119.28 2wa1 h GLU 158 Ca 0.07 -0.06 -0.08 0.00 -1.00 0.00 0.00 59.36 58.29 2wa1 h GLU 158 Cb 0.12 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.13 2wa1 h GLU 158 CO -0.01 0.68 -0.03 0.00 -1.00 0.00 0.00 179.01 178.65 2wa1 h ALA 159 N 1.51 0.58 -0.19 3.43 0.00 -0.38 0.14 119.26 124.33 2wa1 h ALA 159 Ca 0.32 -0.28 -0.11 0.00 0.00 0.00 0.00 54.91 54.84 2wa1 h ALA 159 Cb -0.01 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 2wa1 h ALA 159 CO -0.09 0.39 -0.36 0.66 0.00 0.00 0.00 179.25 179.85 2wa1 h SER 160 N 0.60 0.43 -0.63 0.00 4.64 -0.92 -0.45 113.55 117.22 2wa1 h SER 160 Ca 0.12 -0.17 -0.04 0.00 -0.47 0.00 0.00 61.79 61.22 2wa1 h SER 160 Cb 0.53 -0.12 -0.03 0.00 -0.31 0.00 0.00 62.40 62.48 2wa1 h SER 160 CO 0.03 0.76 0.24 0.03 -0.87 0.00 0.00 176.83 177.02 2wa1 h ARG 161 N 0.35 0.95 -0.38 4.77 3.08 -1.16 -1.77 114.38 120.22 2wa1 h ARG 161 Ca 0.04 -0.18 -0.07 0.00 0.07 0.00 0.00 59.98 59.84 2wa1 h ARG 161 Cb 0.80 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.69 2wa1 h ARG 161 CO 0.06 0.81 -0.03 1.15 -1.07 0.00 0.00 179.97 180.89 2wa1 h THR 162 N 0.89 1.27 -0.77 2.04 2.02 -0.34 -2.24 112.91 115.77 2wa1 h THR 162 Ca 0.21 -1.05 -0.05 0.00 0.77 0.00 0.00 66.41 66.28 2wa1 h THR 162 Cb 0.22 1.20 -0.03 0.00 -1.74 0.00 0.00 68.15 67.79 2wa1 h THR 162 CO -0.02 0.35 0.28 -0.07 0.37 0.00 0.00 175.52 176.44 2wa1 h LEU 163 N 0.50 1.08 -0.06 2.58 3.38 -1.03 -0.82 115.31 120.94 2wa1 h LEU 163 Ca 0.10 -0.19 0.02 0.00 0.09 0.00 0.00 57.88 57.91 2wa1 h LEU 163 Cb 0.51 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.96 2wa1 h LEU 163 CO 0.03 0.98 -0.08 0.74 0.09 0.00 0.00 178.44 180.19 2wa1 h THR 164 N 1.12 0.77 -0.34 0.22 2.02 -1.16 -0.36 112.91 115.19 2wa1 h THR 164 Ca 0.25 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.49 2wa1 h THR 164 Cb 0.25 0.77 -0.05 0.00 -1.74 0.00 0.00 68.15 67.38 2wa1 h THR 164 CO -0.02 0.00 0.04 0.58 0.37 0.00 0.00 175.52 176.50 2wa1 h VAL 165 N -0.12 0.80 -0.63 3.16 2.07 -1.15 -1.95 116.25 118.44 2wa1 h VAL 165 Ca 0.05 -0.05 -0.08 0.00 0.82 0.00 0.00 66.70 67.45 2wa1 h VAL 165 Cb 0.19 0.64 -0.03 0.00 -1.52 0.00 0.00 31.29 30.58 2wa1 h VAL 165 CO -0.13 0.03 0.09 -0.07 0.02 0.00 0.00 177.57 177.51 2wa1 h LEU 166 N 0.15 0.99 -0.27 2.57 3.38 -0.91 -0.15 115.31 121.06 2wa1 h LEU 166 Ca 0.16 -0.23 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 2wa1 h LEU 166 Cb 0.20 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 2wa1 h LEU 166 CO -0.23 0.99 0.09 0.78 0.09 0.00 0.00 178.44 180.15 2wa1 h ASN 167 N 0.97 0.39 -0.28 -0.43 2.35 -0.91 -0.18 115.58 117.48 2wa1 h ASN 167 Ca 0.19 -0.20 0.06 0.00 -0.55 0.00 0.00 56.30 55.80 2wa1 h ASN 167 Cb 0.43 -0.10 -0.06 0.00 0.05 0.00 0.00 38.32 38.64 2wa1 h ASN 167 CO 0.01 0.49 -0.13 0.58 -1.65 0.00 0.00 177.43 176.73 2wa1 h VAL 168 N 0.28 0.58 -0.60 2.81 2.07 -1.15 -2.91 116.25 117.33 2wa1 h VAL 168 Ca 0.09 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.57 2wa1 h VAL 168 Cb 0.24 0.58 -0.03 0.00 -1.52 0.00 0.00 31.29 30.56 2wa1 h VAL 168 CO -0.00 0.00 0.22 0.40 0.02 0.00 0.00 177.57 178.21 2wa1 h ILE 169 N -0.09 1.22 -0.85 4.57 1.08 -0.78 -2.59 117.51 120.06 2wa1 h ILE 169 Ca 0.15 -0.70 0.14 0.00 -0.39 0.00 0.00 64.86 64.06 2wa1 h ILE 169 Cb 0.32 0.53 -0.09 0.00 -3.07 0.00 0.00 36.82 34.50 2wa1 h ILE 169 CO -0.34 0.28 0.44 0.28 -0.69 0.00 0.00 178.15 178.11 2wa1 h SER 170 N 0.86 0.55 0.43 1.72 0.02 -0.83 -0.82 113.55 115.47 2wa1 h SER 170 Ca 0.20 0.09 -0.11 0.00 -0.84 0.00 0.00 61.79 61.13 2wa1 h SER 170 Cb 0.20 -0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.72 2wa1 h SER 170 CO -0.02 0.24 -0.49 0.08 -1.14 0.00 0.00 176.83 175.51 2wa1 h ARG 171 N 0.64 0.07 -0.28 3.45 0.11 -1.42 -0.89 114.38 116.06 2wa1 h ARG 171 Ca 0.46 -0.04 -0.18 0.00 0.10 0.00 0.00 59.98 60.31 2wa1 h ARG 171 Cb 0.62 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.71 2wa1 h ARG 171 CO -0.35 0.55 -0.54 -1.49 0.10 0.00 0.00 179.97 178.23 2wa1 h TRP 172 N 0.06 1.07 0.00 4.08 4.06 -1.36 -1.33 115.95 122.52 2wa1 h TRP 172 Ca 0.00 -0.38 -0.14 0.00 2.06 0.00 0.00 58.89 60.43 2wa1 h TRP 172 Cb 0.88 -0.20 -0.02 0.00 -1.00 0.00 0.00 29.16 28.82 2wa1 h TRP 172 CO 0.00 1.20 -0.68 -0.07 -3.56 0.00 0.00 178.44 175.33 2wa1 h LEU 173 N 0.65 0.00 -0.05 -4.49 3.38 -1.03 -0.88 115.31 112.89 2wa1 h LEU 173 Ca 0.02 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.90 2wa1 h LEU 173 Cb 1.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.90 2wa1 h LEU 173 CO 0.12 0.68 -0.31 -0.08 0.09 0.00 0.00 178.44 178.94 2wa1 h GLU 174 N 0.00 0.31 -0.92 1.13 4.57 -1.17 -3.27 114.58 115.22 2wa1 h GLU 174 Ca -0.01 -0.26 -0.00 0.00 -1.18 0.00 0.00 59.36 57.91 2wa1 h GLU 174 Cb 1.21 0.06 -0.04 0.00 -0.16 0.00 0.00 28.75 29.82 2wa1 h GLU 174 CO 0.09 0.91 0.56 -0.92 -1.18 0.00 0.00 179.01 178.47 2wa1 h TYR 175 N -0.21 1.21 -2.95 0.92 3.20 -1.20 -3.33 116.97 114.61 2wa1 h TYR 175 Ca -0.02 0.00 -0.72 0.00 3.14 0.00 0.00 58.73 61.12 2wa1 h TYR 175 Cb 0.98 -0.40 -0.34 0.00 1.54 0.00 0.00 36.73 38.51 2wa1 h TYR 175 CO 0.14 0.80 0.13 0.09 -1.64 0.00 0.00 178.16 177.68 2wa1 n ASN 176 N -4.38 4.95 -4.67 -2.11 3.02 -0.34 -5.03 115.26 106.71 2wa1 n ASN 176 Ca 0.10 -3.29 -0.47 0.00 -0.03 0.00 0.00 54.58 50.89 2wa1 n ASN 176 Cb 0.05 -1.06 -0.04 0.00 -0.61 0.00 0.00 39.78 38.11 2wa1 n ASN 176 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2wa1 n GLN 177 N 1.68 2.07 -0.35 3.52 1.13 -1.24 -1.80 117.38 122.39 2wa1 n GLN 177 Ca 0.25 0.75 0.00 0.00 -1.94 0.00 0.00 57.00 56.06 2wa1 n GLN 177 Cb 0.37 -2.53 0.00 0.00 0.11 0.00 0.00 30.24 28.18 2wa1 n GLN 177 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2wa1 n GLY 178 N 3.65 1.29 3.70 1.08 0.00 -1.26 -5.04 105.19 108.61 2wa1 n GLY 178 Ca 0.19 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.60 1.65 0.02 0.00 0.00 -0.43 -4.95 107.32 101.01 2wa1 s GLY 180 Ca 0.68 -0.13 -0.28 0.00 0.00 0.00 0.00 44.72 44.98 2wa1 s GLY 180 CO 0.54 0.14 0.65 -0.11 0.00 0.00 0.00 173.10 174.33 2wa1 s PHE 181 N -3.18 -0.62 -0.25 1.90 -0.12 -1.26 0.13 117.98 114.58 2wa1 s PHE 181 Ca 0.55 0.86 -0.02 0.00 -0.05 0.00 0.00 56.93 58.27 2wa1 s PHE 181 Cb -0.11 0.46 0.14 0.00 -0.63 0.00 0.00 43.02 42.88 2wa1 s PHE 181 CO 0.53 -0.69 0.39 0.00 -0.05 0.00 0.00 175.22 175.41 2wa1 s VAL 183 N 2.56 1.13 0.22 0.00 1.01 -0.50 -1.74 120.40 123.09 2wa1 s VAL 183 Ca 0.13 -0.47 -0.30 0.00 0.00 0.00 0.00 61.98 61.34 2wa1 s VAL 183 Cb -0.15 -1.03 -0.09 0.00 0.00 0.00 0.00 36.38 35.11 2wa1 s VAL 183 CO -0.17 0.35 1.25 -0.75 0.00 0.00 0.00 175.10 175.78 2wa1 s LYS 184 N 0.68 4.44 -0.41 2.72 2.20 0.04 -0.61 119.74 128.80 2wa1 s LYS 184 Ca -0.14 2.00 0.03 0.00 -0.36 0.00 0.00 55.97 57.49 2wa1 s LYS 184 Cb -0.16 -3.19 0.11 0.00 -1.51 0.00 0.00 37.83 33.09 2wa1 s LYS 184 CO 0.04 -0.14 0.14 0.08 -0.36 0.00 0.00 175.35 175.11 2wa1 s VAL 185 N -0.27 2.54 0.07 4.02 1.01 0.72 -4.80 120.40 123.70 2wa1 s VAL 185 Ca 0.53 -2.63 -0.25 0.00 0.00 0.00 0.00 61.98 59.63 2wa1 s VAL 185 Cb -0.35 -2.81 -0.16 0.00 0.00 0.00 0.00 36.38 33.05 2wa1 s VAL 185 CO 0.40 -0.68 1.66 0.25 0.00 0.00 0.00 175.10 176.73 2wa1 h LEU 186 N 7.31 -0.15 -7.71 3.92 5.85 -1.85 -0.88 115.31 121.81 2wa1 h LEU 186 Ca -0.06 -0.04 -0.68 0.00 0.84 0.00 0.00 57.88 57.94 2wa1 h LEU 186 Cb 0.98 0.04 -0.37 0.00 0.37 0.00 0.00 40.66 41.68 2wa1 h LEU 186 CO 0.60 -0.05 -0.58 0.21 -0.34 0.00 0.00 178.44 178.27 2wa1 s ASN 187 N -5.09 5.02 0.00 1.25 3.84 -1.26 -3.12 114.94 115.57 2wa1 s ASN 187 Ca -0.14 -2.28 0.26 0.00 0.21 0.00 0.00 52.86 50.91 2wa1 s ASN 187 Cb 0.05 -1.76 0.72 0.00 -0.55 0.00 0.00 41.25 39.71 2wa1 s ASN 187 CO 0.65 -0.44 1.55 -0.81 -2.79 0.00 0.00 177.10 175.26 2wa1 n PRO 188 N 4.20 1.48 -0.00 0.43 -0.04 -1.26 -4.28 135.00 135.52 2wa1 n PRO 188 Ca 0.02 -0.98 0.10 0.00 -0.04 0.00 0.00 63.50 62.60 2wa1 n PRO 188 Cb 0.40 -1.48 -0.12 0.00 -0.04 0.00 0.00 33.50 32.26 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 0.09 0.00 -1.93 0.54 0.18 -1.26 -4.38 117.16 110.40 2wa1 n TYR 189 Ca 0.15 0.00 -0.41 0.00 1.88 0.00 0.00 57.90 59.52 2wa1 n TYR 189 Cb 0.40 -0.02 -0.01 0.00 -0.38 0.00 0.00 39.34 39.34 2wa1 n TYR 189 CO 0.00 0.00 0.00 0.45 -2.08 0.00 0.00 176.86 175.23 2wa1 s SER 190 N -2.98 6.52 0.17 9.48 0.15 -1.26 -2.78 113.70 123.00 2wa1 s SER 190 Ca 0.07 2.91 -0.14 0.00 0.70 0.00 0.00 55.95 59.49 2wa1 s SER 190 Cb 0.15 -2.66 0.09 0.00 -1.71 0.00 0.00 66.02 61.89 2wa1 s SER 190 CO 0.84 -0.74 1.80 0.00 1.20 0.00 0.00 173.24 176.34 2wa1 h ASP 192 N 0.54 0.74 -0.20 0.00 3.04 -1.99 -1.68 116.42 116.87 2wa1 h ASP 192 Ca 0.20 -0.14 -0.02 0.00 -3.24 0.00 0.00 57.03 53.82 2wa1 h ASP 192 Cb 0.05 -0.19 -0.01 0.00 -1.04 0.00 0.00 39.33 38.14 2wa1 h ASP 192 CO -0.10 0.75 0.04 0.58 -2.04 0.00 0.00 179.24 178.47 2wa1 h VAL 193 N 0.75 1.22 -0.83 4.15 2.07 -1.79 -1.07 116.25 120.75 2wa1 h VAL 193 Ca 0.16 -0.70 0.08 0.00 0.82 0.00 0.00 66.70 67.05 2wa1 h VAL 193 Cb 0.33 1.31 -0.07 0.00 -1.52 0.00 0.00 31.29 31.34 2wa1 h VAL 193 CO 0.00 0.22 0.49 -0.07 0.02 0.00 0.00 177.57 178.24 2wa1 h LEU 194 N 0.12 0.75 -0.19 2.57 3.38 -0.93 0.17 115.31 121.19 2wa1 h LEU 194 Ca 0.06 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 58.03 2wa1 h LEU 194 Cb 0.29 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 2wa1 h LEU 194 CO 0.00 0.46 -0.02 -0.33 0.09 0.00 0.00 178.44 178.64 2wa1 h GLU 195 N 0.87 0.34 -0.75 1.13 5.08 -1.20 -0.79 114.58 119.27 2wa1 h GLU 195 Ca 0.38 -0.12 0.05 0.00 -1.00 0.00 0.00 59.36 58.67 2wa1 h GLU 195 Cb 0.26 -0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.42 2wa1 h GLU 195 CO -0.20 0.57 0.45 0.00 -1.00 0.00 0.00 179.01 178.82 2wa1 h ALA 196 N 0.76 1.00 -0.75 3.43 0.00 -0.88 -2.44 119.26 120.38 2wa1 h ALA 196 Ca 0.05 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 2wa1 h ALA 196 Cb 0.42 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 2wa1 h ALA 196 CO 0.01 0.17 0.28 -0.07 0.00 0.00 0.00 179.25 179.65 2wa1 h LEU 197 N 0.83 1.06 -1.00 0.00 3.38 -0.46 -1.53 115.31 117.59 2wa1 h LEU 197 Ca 0.32 -0.18 -0.02 0.00 0.09 0.00 0.00 57.88 58.08 2wa1 h LEU 197 Cb 0.14 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.58 2wa1 h LEU 197 CO -0.16 0.96 0.38 0.24 0.09 0.00 0.00 178.44 179.95 2wa1 h MET 198 N 1.10 1.09 -0.18 1.13 2.86 -0.95 0.92 114.93 120.90 2wa1 h MET 198 Ca 0.25 -0.14 -0.03 0.00 -2.06 0.00 0.00 59.70 57.72 2wa1 h MET 198 Cb 0.24 -0.20 -0.01 0.00 0.06 0.00 0.00 31.60 31.69 2wa1 h MET 198 CO -0.02 0.83 -0.00 0.87 1.06 0.00 0.00 176.91 179.65 2wa1 h LYS 199 N 1.09 0.32 -0.48 1.72 1.57 -1.17 -1.62 116.57 117.99 2wa1 h LYS 199 Ca 0.27 -0.10 -0.03 0.00 -1.87 0.00 0.00 60.65 58.92 2wa1 h LYS 199 Cb 0.09 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.35 2wa1 h LYS 199 CO -0.04 0.53 0.20 0.52 -0.57 0.00 0.00 179.45 180.10 2wa1 h MET 200 N 0.07 0.72 -0.57 3.15 2.86 -1.14 -0.66 114.93 119.36 2wa1 h MET 200 Ca 0.05 -0.12 -0.01 0.00 -2.06 0.00 0.00 59.70 57.56 2wa1 h MET 200 Cb 0.39 -0.12 -0.03 0.00 0.06 0.00 0.00 31.60 31.90 2wa1 h MET 200 CO 0.01 0.63 0.33 0.37 1.06 0.00 0.00 176.91 179.31 2wa1 h GLN 201 N 0.64 0.77 -0.13 1.72 4.15 -0.78 0.25 115.11 121.72 2wa1 h GLN 201 Ca 0.16 -0.07 -0.02 0.00 0.77 0.00 0.00 58.65 59.49 2wa1 h GLN 201 Cb 0.18 -0.16 -0.00 0.00 0.21 0.00 0.00 27.48 27.70 2wa1 h GLN 201 CO -0.02 0.56 0.00 0.00 -1.93 0.00 0.00 178.83 177.45 2wa1 h ALA 202 N 1.57 0.18 0.03 3.38 0.00 -0.88 0.38 119.26 123.93 2wa1 h ALA 202 Ca 0.20 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 2wa1 h ALA 202 Cb -0.00 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.74 2wa1 h ALA 202 CO -0.04 -0.13 -0.01 0.00 0.00 0.00 0.00 179.25 179.07 2wa1 h ARG 203 N -0.03 -0.03 -0.01 0.00 3.08 -0.94 -3.39 114.38 113.06 2wa1 h ARG 203 Ca 0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.09 2wa1 h ARG 203 Cb 0.36 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.41 2wa1 h ARG 203 CO 0.01 0.39 -0.05 1.19 -1.07 0.00 0.00 179.97 180.44 2wa1 n PHE 204 N -4.90 0.00 -4.40 3.04 3.72 0.85 -5.09 117.46 110.68 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 0.23 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.77 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 0.60 -0.25 6.11 1.37 0.00 0.13 -4.98 105.19 108.18 2wa1 n GLY 205 Ca 0.05 -1.04 0.00 0.00 0.00 0.00 0.00 46.02 45.03 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 -1.67 2.14 -0.02 0.00 -1.26 -4.31 105.19 100.06 2wa1 n GLY 206 Ca 0.00 -1.43 -0.04 0.00 0.00 0.00 0.00 46.02 44.56 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 0.00 1.24 2.94 -0.02 0.00 0.02 -3.93 105.19 105.43 2wa1 n GLY 207 Ca 0.00 -1.11 -0.28 0.00 0.00 0.00 0.00 46.02 44.63 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 1.42 0.18 0.99 2.96 -1.26 -1.29 118.68 121.68 2wa1 s LEU 208 Ca 0.10 -0.42 0.11 0.00 -0.22 0.00 0.00 54.13 53.70 2wa1 s LEU 208 Cb -0.02 -0.96 -0.04 0.00 0.50 0.00 0.00 46.19 45.67 2wa1 s LEU 208 CO 0.05 -0.11 -0.24 0.27 -1.32 0.00 0.00 176.35 175.00 2wa1 s ILE 209 N 1.63 2.38 -0.18 6.68 -4.36 -0.26 -4.88 121.20 122.20 2wa1 s ILE 209 Ca 0.04 -1.98 -0.08 0.00 -0.26 0.00 0.00 60.65 58.37 2wa1 s ILE 209 Cb -0.13 -2.13 -0.04 0.00 1.25 0.00 0.00 42.46 41.41 2wa1 s ILE 209 CO -0.09 -0.09 0.07 -0.60 0.24 0.00 0.00 174.94 174.47 2wa1 s ARG 210 N -2.60 3.99 -0.19 0.37 6.06 -1.26 -0.93 118.95 124.40 2wa1 s ARG 210 Ca 0.20 -0.33 -0.22 0.00 -2.50 0.00 0.00 55.73 52.88 2wa1 s ARG 210 Cb -0.08 -3.23 -0.02 0.00 0.06 0.00 0.00 34.95 31.67 2wa1 s ARG 210 CO 0.10 0.27 0.67 0.08 -2.50 0.00 0.00 175.30 173.92 2wa1 s VAL 211 N 0.37 5.00 -0.70 7.11 1.01 -1.26 -4.96 120.40 126.96 2wa1 s VAL 211 Ca 0.03 1.28 0.15 0.00 0.00 0.00 0.00 61.98 63.45 2wa1 s VAL 211 Cb -0.12 -3.98 0.15 0.00 0.00 0.00 0.00 36.38 32.42 2wa1 s VAL 211 CO -0.00 0.10 1.47 -0.81 0.00 0.00 0.00 175.10 175.86 2wa1 n PRO 212 N 5.02 0.08 0.22 2.72 -0.04 -1.26 -1.53 135.00 140.21 2wa1 n PRO 212 Ca -0.00 0.42 0.12 0.00 -0.04 0.00 0.00 63.50 64.01 2wa1 n PRO 212 Cb 0.50 -1.69 0.22 0.00 -0.04 0.00 0.00 33.50 32.49 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 -9.79 1.53 4.07 -1.93 -2.36 115.31 106.82 2wa1 h LEU 213 Ca 0.00 0.00 -0.55 0.00 0.08 0.00 0.00 57.88 57.41 2wa1 h LEU 213 Cb 0.18 0.00 0.10 0.00 1.08 0.00 0.00 40.66 42.02 2wa1 h LEU 213 CO 0.00 0.00 0.74 -1.20 -1.08 0.00 0.00 178.44 176.90 2wa1 n SER 214 N -3.05 3.48 -4.78 -0.43 7.64 -0.58 -4.72 113.62 111.18 2wa1 n SER 214 Ca 0.04 1.18 -0.33 0.00 1.01 0.00 0.00 58.87 60.77 2wa1 n SER 214 Cb 0.51 -1.56 0.05 0.00 -1.01 0.00 0.00 64.21 62.20 2wa1 n SER 214 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 2wa1 s ARG 215 N -1.17 2.83 0.37 1.43 0.52 -1.26 -4.84 118.95 116.82 2wa1 s ARG 215 Ca 0.60 1.29 0.27 0.00 -0.52 0.00 0.00 55.73 57.38 2wa1 s ARG 215 Cb -0.53 -1.96 1.17 0.00 0.52 0.00 0.00 34.95 34.15 2wa1 s ARG 215 CO 0.55 -1.22 1.82 -0.91 0.02 0.00 0.00 175.30 175.57 2wa1 h ASN 216 N -0.11 0.00 0.26 0.23 2.35 -1.42 -2.80 115.58 114.09 2wa1 h ASN 216 Ca -0.46 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.29 2wa1 h ASN 216 Cb 1.24 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.61 2wa1 h ASN 216 CO 0.54 0.00 0.00 -1.54 -1.65 0.00 0.00 177.43 174.78 2wa1 n SER 217 N -2.54 0.00 -4.13 5.81 3.41 -1.26 -4.71 113.62 110.20 2wa1 n SER 217 Ca 0.01 -0.58 -0.23 0.00 -0.26 0.00 0.00 58.87 57.81 2wa1 n SER 217 Cb 0.24 -0.13 -0.15 0.00 -0.26 0.00 0.00 64.21 63.90 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 -2.27 1.19 -1.58 6.66 -1.32 -1.06 -5.02 115.64 112.25 2wa1 s THR 218 Ca 0.38 -0.70 0.13 0.00 -1.21 0.00 0.00 61.69 60.29 2wa1 s THR 218 Cb 0.21 -1.00 0.46 0.00 -1.51 0.00 0.00 72.50 70.65 2wa1 s THR 218 CO 0.40 0.29 1.34 1.57 -2.21 0.00 0.00 174.62 176.02 2wa1 n HIS 219 N 2.59 0.85 -1.61 9.09 -0.00 -1.26 -4.76 115.22 120.11 2wa1 n HIS 219 Ca -0.15 -0.36 -0.47 0.00 0.46 0.00 0.00 57.72 57.20 2wa1 n HIS 219 Cb 0.55 -0.11 -0.03 0.00 -0.12 0.00 0.00 29.99 30.28 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 0.77 1.47 -4.37 1.57 0.28 -1.18 -4.57 120.64 114.61 2wa1 n GLU 220 Ca 0.17 0.52 -0.19 0.00 -0.16 0.00 0.00 57.16 57.50 2wa1 n GLU 220 Cb 0.54 -2.06 -0.10 0.00 1.43 0.00 0.00 31.44 31.24 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 -0.52 1.48 -0.13 3.44 -1.94 -0.33 -4.70 119.30 116.59 2wa1 s MET 221 Ca 0.70 -1.79 0.01 0.00 -1.71 0.00 0.00 55.69 52.91 2wa1 s MET 221 Cb -0.77 -0.65 0.02 0.00 2.01 0.00 0.00 34.83 35.44 2wa1 s MET 221 CO 0.52 -0.17 -0.17 0.71 -0.01 0.00 0.00 175.02 175.90 2wa1 s TYR 222 N -3.44 2.27 -0.45 -0.03 2.02 -0.10 -0.20 117.35 117.42 2wa1 s TYR 222 Ca 0.34 -1.18 -0.27 0.00 -0.37 0.00 0.00 57.07 55.58 2wa1 s TYR 222 Cb 0.07 -1.61 0.03 0.00 -0.40 0.00 0.00 41.96 40.05 2wa1 s TYR 222 CO 0.12 -0.60 1.01 0.12 -1.57 0.00 0.00 175.55 174.63 2wa1 s PHE 223 N 1.13 2.91 0.07 2.71 5.36 0.23 -1.11 117.98 129.29 2wa1 s PHE 223 Ca -0.02 0.59 0.08 0.00 -0.96 0.00 0.00 56.93 56.62 2wa1 s PHE 223 Cb -0.14 -4.09 -0.03 0.00 -0.34 0.00 0.00 43.02 38.42 2wa1 s PHE 223 CO -0.06 -1.11 -0.21 0.14 -1.46 0.00 0.00 175.22 172.52 2wa1 s VAL 224 N 3.97 1.69 0.08 3.12 -7.23 -0.41 -1.41 120.40 120.21 2wa1 s VAL 224 Ca 0.42 -1.36 0.06 0.00 -1.81 0.00 0.00 61.98 59.28 2wa1 s VAL 224 Cb -0.09 -1.50 -0.23 0.00 0.56 0.00 0.00 36.38 35.12 2wa1 s VAL 224 CO 0.27 0.08 1.14 0.77 -0.31 0.00 0.00 175.10 177.05 2wa1 h SER 225 N 4.49 0.07 0.24 4.85 4.64 -1.27 -1.10 113.55 125.49 2wa1 h SER 225 Ca -0.44 -0.09 0.00 0.00 -0.47 0.00 0.00 61.79 60.79 2wa1 h SER 225 Cb 1.17 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 2wa1 h SER 225 CO 0.42 1.07 -0.19 0.61 -0.87 0.00 0.00 176.83 177.87 2wa1 n GLY 226 N 1.42 -0.64 3.15 -0.77 0.00 0.54 -4.22 105.19 104.67 2wa1 n GLY 226 Ca -0.05 -0.37 -0.29 0.00 0.00 0.00 0.00 46.02 45.32 2wa1 n GLY 226 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wa1 s ILE 227 N -2.44 1.69 -0.20 -0.61 1.01 -1.26 -4.70 121.20 114.69 2wa1 s ILE 227 Ca 0.27 -0.81 -0.06 0.00 0.00 0.00 0.00 60.65 60.05 2wa1 s ILE 227 Cb 0.20 -1.48 -0.03 0.00 0.01 0.00 0.00 42.46 41.16 2wa1 s ILE 227 CO 0.49 0.48 0.02 -0.54 0.00 0.00 0.00 174.94 175.39 2wa1 s LYS 228 N 0.38 3.73 0.35 2.79 1.02 -1.26 -0.80 119.74 125.94 2wa1 s LYS 228 Ca -0.15 -0.46 -0.09 0.00 0.02 0.00 0.00 55.97 55.29 2wa1 s LYS 228 Cb -0.16 -3.13 0.02 0.00 -0.52 0.00 0.00 37.83 34.04 2wa1 s LYS 228 CO 0.06 0.09 0.60 0.54 -0.92 0.00 0.00 175.35 175.72 2wa1 s ASN 229 N 0.83 0.45 -0.48 2.83 2.20 -1.25 -4.95 114.94 114.56 2wa1 s ASN 229 Ca 0.02 -1.28 -0.23 0.00 -0.94 0.00 0.00 52.86 50.43 2wa1 s ASN 229 Cb -0.14 0.73 0.03 0.00 -2.00 0.00 0.00 41.25 39.87 2wa1 s ASN 229 CO 0.02 -1.43 0.79 0.21 -2.94 0.00 0.00 177.10 173.76 2wa1 s ASN 230 N -3.14 6.36 0.08 3.54 3.84 -1.26 -4.77 114.94 119.58 2wa1 s ASN 230 Ca 0.24 -0.30 -0.27 0.00 0.21 0.00 0.00 52.86 52.73 2wa1 s ASN 230 Cb -0.02 -2.38 -0.17 0.00 -0.55 0.00 0.00 41.25 38.13 2wa1 s ASN 230 CO 0.15 -0.98 1.67 0.40 -2.79 0.00 0.00 177.10 175.55 2wa1 h ILE 231 N 5.97 0.70 -0.22 -5.21 2.04 -1.96 -2.10 117.51 116.73 2wa1 h ILE 231 Ca -0.25 -0.02 0.00 0.00 1.00 0.00 0.00 64.86 65.58 2wa1 h ILE 231 Cb 1.08 0.72 -0.01 0.00 -0.74 0.00 0.00 36.82 37.87 2wa1 h ILE 231 CO 0.99 0.00 0.14 -0.03 0.00 0.00 0.00 178.15 179.25 2wa1 h MET 232 N -0.42 0.30 -0.54 2.37 4.05 -1.96 -0.70 114.93 118.03 2wa1 h MET 232 Ca -0.04 -0.02 0.03 0.00 -0.28 0.00 0.00 59.70 59.38 2wa1 h MET 232 Cb 0.32 -0.06 -0.03 0.00 -0.80 0.00 0.00 31.60 31.03 2wa1 h MET 232 CO 0.07 0.22 0.36 0.78 0.23 0.00 0.00 176.91 178.57 2wa1 h GLY 233 N 0.29 0.71 1.29 1.39 0.00 -1.98 -1.80 103.07 102.97 2wa1 h GLY 233 Ca 0.08 -0.25 -0.25 0.00 0.00 0.00 0.00 47.33 46.92 2wa1 h GLY 233 CO -0.02 0.22 -0.96 -0.57 0.00 0.00 0.00 176.54 175.21 2wa1 h ASN 234 N 0.63 0.82 -0.31 0.19 -0.73 -0.68 -1.94 115.58 113.56 2wa1 h ASN 234 Ca 0.22 -0.63 0.02 0.00 1.87 0.00 0.00 56.30 57.78 2wa1 h ASN 234 Cb 0.08 -0.25 -0.03 0.00 0.27 0.00 0.00 38.32 38.39 2wa1 h ASN 234 CO -0.06 1.43 0.14 0.58 -0.37 0.00 0.00 177.43 179.16 2wa1 h VAL 235 N 0.38 0.97 -0.27 2.57 2.07 -0.88 -1.28 116.25 119.82 2wa1 h VAL 235 Ca -0.10 -0.10 -0.15 0.00 0.82 0.00 0.00 66.70 67.17 2wa1 h VAL 235 Cb 1.60 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 32.01 2wa1 h VAL 235 CO 0.19 0.06 -0.43 0.71 0.02 0.00 0.00 177.57 178.11 2wa1 h THR 236 N 0.30 1.30 -0.80 2.57 1.35 -1.37 -0.87 112.91 115.39 2wa1 h THR 236 Ca 0.13 -1.61 -0.02 0.00 -0.55 0.00 0.00 66.41 64.36 2wa1 h THR 236 Cb 0.06 1.55 -0.04 0.00 -1.73 0.00 0.00 68.15 67.99 2wa1 h THR 236 CO -0.10 0.52 0.43 0.00 -0.25 0.00 0.00 175.52 176.11 2wa1 h ALA 237 N 0.98 1.02 -0.17 6.62 0.00 -1.19 -0.49 119.26 126.04 2wa1 h ALA 237 Ca 0.04 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 2wa1 h ALA 237 Cb 0.96 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 2wa1 h ALA 237 CO 0.09 0.54 0.05 0.28 0.00 0.00 0.00 179.25 180.21 2wa1 h VAL 238 N 1.11 1.19 -0.51 0.00 2.07 -0.88 -0.96 116.25 118.27 2wa1 h VAL 238 Ca 0.28 -0.61 0.08 0.00 0.82 0.00 0.00 66.70 67.27 2wa1 h VAL 238 Cb 0.05 1.28 -0.07 0.00 -1.52 0.00 0.00 31.29 31.04 2wa1 h VAL 238 CO -0.04 0.19 0.13 0.28 0.02 0.00 0.00 177.57 178.15 2wa1 h SER 239 N 0.08 0.07 -0.43 0.57 0.02 -0.89 0.73 113.55 113.71 2wa1 h SER 239 Ca 0.05 0.08 -0.08 0.00 -0.84 0.00 0.00 61.79 61.00 2wa1 h SER 239 Cb 0.25 0.09 -0.02 0.00 0.14 0.00 0.00 62.40 62.86 2wa1 h SER 239 CO -0.00 0.07 -0.01 0.03 -1.14 0.00 0.00 176.83 175.78 2wa1 h ARG 240 N 0.28 0.83 -0.29 3.45 3.08 -0.88 -0.50 114.38 120.35 2wa1 h ARG 240 Ca 0.25 -0.23 -0.05 0.00 0.07 0.00 0.00 59.98 60.02 2wa1 h ARG 240 Cb 0.32 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.26 2wa1 h ARG 240 CO -0.30 0.84 -0.03 0.37 -1.07 0.00 0.00 179.97 179.78 2wa1 h GLN 241 N 0.77 0.53 -0.16 0.04 4.15 -0.68 -1.14 115.11 118.63 2wa1 h GLN 241 Ca 0.15 -0.18 -0.08 0.00 0.77 0.00 0.00 58.65 59.31 2wa1 h GLN 241 Cb 0.47 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.11 2wa1 h GLN 241 CO 0.02 0.70 -0.27 -0.07 -1.93 0.00 0.00 178.83 177.28 2wa1 h LEU 242 N 0.30 0.29 -0.03 -2.39 3.38 -0.59 -1.51 115.31 114.75 2wa1 h LEU 242 Ca 0.08 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 2wa1 h LEU 242 Cb 0.48 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.15 2wa1 h LEU 242 CO 0.02 0.56 -0.04 -0.07 0.09 0.00 0.00 178.44 179.00 2wa1 h LEU 243 N 0.26 0.09 -0.67 1.67 3.38 -0.99 -3.03 115.31 116.02 2wa1 h LEU 243 Ca 0.04 -0.49 0.14 0.00 0.09 0.00 0.00 57.88 57.65 2wa1 h LEU 243 Cb 0.62 -0.03 -0.10 0.00 0.09 0.00 0.00 40.66 41.24 2wa1 h LEU 243 CO 0.04 0.56 0.16 0.50 0.09 0.00 0.00 178.44 179.80 2wa1 h LYS 244 N -0.38 0.27 0.00 1.13 3.64 -1.11 -0.86 116.57 119.25 2wa1 h LYS 244 Ca 0.01 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.36 2wa1 h LYS 244 Cb 0.54 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.30 2wa1 h LYS 244 CO 0.01 0.18 -0.04 0.00 -2.27 0.00 0.00 179.45 177.32 2wa1 h ARG 245 N 0.27 0.00 0.00 1.90 3.08 -1.28 -2.40 114.38 115.95 2wa1 h ARG 245 Ca 0.37 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.37 2wa1 h ARG 245 Cb 0.58 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.63 2wa1 h ARG 245 CO -0.45 0.04 -0.20 1.98 -1.07 0.00 0.00 179.97 180.26 2wa1 h MET 246 N 0.00 0.00 -0.01 0.04 4.05 -1.03 -3.05 114.93 114.93 2wa1 h MET 246 Ca -0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 2wa1 h MET 246 Cb 0.19 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.99 2wa1 h MET 246 CO 0.01 0.20 -0.14 -0.85 0.23 0.00 0.00 176.91 176.35 2wa1 n GLU 247 N -3.17 1.40 0.00 0.39 0.28 -0.91 -5.10 120.64 113.53 2wa1 n GLU 247 Ca 0.03 -0.92 0.11 0.00 -0.16 0.00 0.00 57.16 56.21 2wa1 n GLU 247 Cb 0.59 -1.48 0.09 0.00 1.43 0.00 0.00 31.44 32.07 2wa1 n GLU 247 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36