#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wa2 h ALA 6 N 0.00 -0.34 -0.94 7.33 0.00 -1.94 -0.79 119.26 122.58 2wa2 h ALA 6 Ca 0.00 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.88 2wa2 h ALA 6 Cb 0.00 0.30 -0.05 0.00 0.00 0.00 0.00 17.79 18.04 2wa2 h ALA 6 CO 0.00 -0.73 0.62 -1.35 0.00 0.00 0.00 179.25 177.80 2wa2 h PRO 7 N -0.38 1.23 0.31 0.00 0.11 -1.86 -1.21 132.00 130.19 2wa2 h PRO 7 Ca 0.02 -0.07 -0.00 0.00 0.11 0.00 0.00 66.00 66.05 2wa2 h PRO 7 Cb 0.39 -0.28 -0.02 0.00 0.11 0.00 0.00 31.00 31.20 2wa2 h PRO 7 CO -0.09 0.81 -0.29 1.15 -0.21 0.00 0.00 178.00 179.37 2wa2 h THR 8 N 1.27 0.39 -0.49 -1.15 2.02 -1.75 -0.66 112.91 112.54 2wa2 h THR 8 Ca 0.35 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.49 2wa2 h THR 8 Cb -0.13 0.39 -0.02 0.00 -1.74 0.00 0.00 68.15 66.64 2wa2 h THR 8 CO -0.08 0.00 0.18 -0.07 0.37 0.00 0.00 175.52 175.92 2wa2 h LEU 9 N -0.62 0.69 -0.99 2.58 3.38 -0.92 0.37 115.31 119.80 2wa2 h LEU 9 Ca -0.02 -0.19 -0.09 0.00 0.09 0.00 0.00 57.88 57.67 2wa2 h LEU 9 Cb 0.56 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 2wa2 h LEU 9 CO -0.05 0.69 -0.27 1.23 0.09 0.00 0.00 178.44 180.13 2wa2 h GLY 10 N 0.65 0.43 1.31 0.83 0.00 -1.24 -1.46 103.07 103.60 2wa2 h GLY 10 Ca 0.16 -0.35 -0.14 0.00 0.00 0.00 0.00 47.33 47.00 2wa2 h GLY 10 CO -0.01 0.32 -0.34 0.83 0.00 0.00 0.00 176.54 177.34 2wa2 h GLU 11 N 0.35 0.77 -0.09 4.80 5.08 -0.66 0.49 114.58 125.32 2wa2 h GLU 11 Ca 0.05 -0.37 0.00 0.00 -1.00 0.00 0.00 59.36 58.04 2wa2 h GLU 11 Cb 0.67 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.91 2wa2 h GLU 11 CO 0.05 0.99 0.04 0.82 -1.00 0.00 0.00 179.01 179.91 2wa2 h ILE 12 N 0.64 1.00 -0.52 3.13 2.04 -0.72 -1.80 117.51 121.28 2wa2 h ILE 12 Ca 0.07 -0.03 0.09 0.00 1.00 0.00 0.00 64.86 65.98 2wa2 h ILE 12 Cb 0.88 0.90 -0.07 0.00 -0.74 0.00 0.00 36.82 37.79 2wa2 h ILE 12 CO 0.08 0.02 0.11 -0.25 0.00 0.00 0.00 178.15 178.11 2wa2 h TRP 13 N 0.09 0.18 -0.35 1.37 7.01 -1.03 0.78 115.95 124.01 2wa2 h TRP 13 Ca 0.03 0.03 -0.01 0.00 2.11 0.00 0.00 58.89 61.05 2wa2 h TRP 13 Cb 0.00 -0.00 -0.02 0.00 -2.10 0.00 0.00 29.16 27.04 2wa2 h TRP 13 CO -0.08 -0.00 0.17 -0.22 -2.79 0.00 0.00 178.44 175.52 2wa2 h LYS 14 N 0.25 0.49 -0.51 2.65 1.63 -0.72 0.29 116.57 120.65 2wa2 h LYS 14 Ca 0.26 -0.07 -0.12 0.00 -0.85 0.00 0.00 60.65 59.87 2wa2 h LYS 14 Cb 0.35 -0.09 -0.02 0.00 -0.60 0.00 0.00 32.23 31.87 2wa2 h LYS 14 CO -0.33 0.43 -0.16 0.00 -3.45 0.00 0.00 179.45 175.94 2wa2 h ARG 15 N 0.43 1.01 -0.50 1.90 3.08 -0.92 -1.05 114.38 118.33 2wa2 h ARG 15 Ca 0.12 -0.40 -0.06 0.00 0.07 0.00 0.00 59.98 59.71 2wa2 h ARG 15 Cb 0.10 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.08 2wa2 h ARG 15 CO -0.02 1.08 0.07 0.87 -1.07 0.00 0.00 179.97 180.90 2wa2 h LYS 16 N 0.89 0.83 -0.34 0.04 1.57 -0.64 -2.46 116.57 116.47 2wa2 h LYS 16 Ca 0.13 -0.23 0.05 0.00 -1.87 0.00 0.00 60.65 58.73 2wa2 h LYS 16 Cb 0.73 -0.09 -0.05 0.00 0.08 0.00 0.00 32.23 32.90 2wa2 h LYS 16 CO 0.06 0.84 0.04 1.25 -0.57 0.00 0.00 179.45 181.07 2wa2 h LEU 17 N 0.71 -0.04 -1.40 2.94 5.85 -0.17 -2.00 115.31 121.19 2wa2 h LEU 17 Ca 0.15 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.93 2wa2 h LEU 17 Cb 0.42 0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.54 2wa2 h LEU 17 CO 0.01 0.01 0.00 0.78 -0.34 0.00 0.00 178.44 178.91 2wa2 h ASN 18 N 0.15 0.00 1.11 1.25 2.35 -0.97 -2.04 115.58 117.43 2wa2 h ASN 18 Ca 0.16 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.91 2wa2 h ASN 18 Cb 0.20 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.57 2wa2 h ASN 18 CO -0.23 0.00 -0.16 0.00 -1.65 0.00 0.00 177.43 175.39 2wa2 n GLN 19 N -2.58 0.15 -2.39 0.81 6.02 -0.76 -4.89 117.38 113.74 2wa2 n GLN 19 Ca 0.00 0.10 -0.41 0.00 -0.01 0.00 0.00 57.00 56.68 2wa2 n GLN 19 Cb 0.18 -1.65 -0.03 0.00 1.02 0.00 0.00 30.24 29.76 2wa2 n GLN 19 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2wa2 s LEU 20 N -3.79 4.44 1.09 1.08 1.43 -0.77 -5.05 118.68 117.12 2wa2 s LEU 20 Ca 0.11 2.19 -0.18 0.00 -1.03 0.00 0.00 54.13 55.22 2wa2 s LEU 20 Cb 0.15 -3.60 0.25 0.00 0.03 0.00 0.00 46.19 43.02 2wa2 s LEU 20 CO 0.61 -0.37 1.21 1.51 0.23 0.00 0.00 176.35 179.53 2wa2 s ASP 21 N 0.24 1.92 0.17 2.29 1.47 -1.26 -4.64 116.67 116.86 2wa2 s ASP 21 Ca 0.53 0.46 -0.14 0.00 1.18 0.00 0.00 52.55 54.59 2wa2 s ASP 21 Cb -0.32 -0.61 0.08 0.00 -0.34 0.00 0.00 42.92 41.73 2wa2 s ASP 21 CO 0.35 -3.49 1.82 0.00 0.68 0.00 0.00 175.17 174.53 2wa2 h ALA 22 N -2.16 0.63 -0.01 2.11 0.00 -1.99 -0.12 119.26 117.73 2wa2 h ALA 22 Ca -0.45 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.45 2wa2 h ALA 22 Cb 1.27 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.90 2wa2 h ALA 22 CO 0.36 0.01 0.00 0.87 0.00 0.00 0.00 179.25 180.49 2wa2 h LYS 23 N 0.61 0.01 -0.58 0.00 1.57 -2.00 -1.39 116.57 114.79 2wa2 h LYS 23 Ca 0.19 -0.00 0.02 0.00 -1.87 0.00 0.00 60.65 59.00 2wa2 h LYS 23 Cb -0.00 -0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.27 2wa2 h LYS 23 CO -0.08 0.16 0.35 0.93 -0.57 0.00 0.00 179.45 180.24 2wa2 h GLU 24 N -0.14 0.68 -0.28 3.15 5.08 -1.87 -1.81 114.58 119.39 2wa2 h GLU 24 Ca 0.00 -0.04 0.01 0.00 -1.00 0.00 0.00 59.36 58.34 2wa2 h GLU 24 Cb 0.15 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 2wa2 h GLU 24 CO -0.00 0.45 0.15 0.35 -1.00 0.00 0.00 179.01 178.96 2wa2 h PHE 25 N 0.70 0.29 -0.55 4.33 3.57 -0.97 0.27 116.94 124.58 2wa2 h PHE 25 Ca 0.23 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.68 2wa2 h PHE 25 Cb 0.01 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 38.64 2wa2 h PHE 25 CO -0.06 0.16 0.12 0.52 -2.23 0.00 0.00 178.31 176.83 2wa2 h MET 26 N 0.32 0.89 -0.36 1.11 2.86 -0.95 -1.26 114.93 117.53 2wa2 h MET 26 Ca 0.11 -0.22 -0.05 0.00 -2.06 0.00 0.00 59.70 57.49 2wa2 h MET 26 Cb 0.02 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.55 2wa2 h MET 26 CO -0.07 0.84 0.03 0.00 1.06 0.00 0.00 176.91 178.77 2wa2 h ALA 27 N 1.01 0.48 -0.59 6.32 0.00 -1.19 -3.27 119.26 122.02 2wa2 h ALA 27 Ca 0.17 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 2wa2 h ALA 27 Cb 0.36 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 2wa2 h ALA 27 CO 0.00 0.21 0.25 -0.92 0.00 0.00 0.00 179.25 178.79 2wa2 h TYR 28 N 0.44 0.88 0.00 0.00 3.20 -0.21 -3.19 116.97 118.09 2wa2 h TYR 28 Ca 0.11 -0.06 -0.05 0.00 3.14 0.00 0.00 58.73 61.86 2wa2 h TYR 28 Cb 0.40 -0.27 -0.01 0.00 1.54 0.00 0.00 36.73 38.40 2wa2 h TYR 28 CO 0.03 0.70 -0.25 0.07 -1.64 0.00 0.00 178.16 177.07 2wa2 h ARG 29 N 0.81 0.00 -0.01 1.82 0.11 -1.28 -2.44 114.38 113.38 2wa2 h ARG 29 Ca 0.20 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.28 2wa2 h ARG 29 Cb 0.18 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.26 2wa2 h ARG 29 CO -0.02 0.25 -0.43 2.89 0.10 0.00 0.00 179.97 182.76 2wa2 n ARG 30 N -4.09 1.03 -1.65 0.08 1.85 -1.23 -0.46 116.66 112.19 2wa2 n ARG 30 Ca -0.02 -0.78 -0.43 0.00 -1.00 0.00 0.00 57.85 55.62 2wa2 n ARG 30 Cb 0.31 -1.48 -0.03 0.00 -1.05 0.00 0.00 32.46 30.21 2wa2 n ARG 30 CO 0.00 0.00 0.00 0.50 -0.01 0.00 0.00 177.63 178.12 2wa2 s ARG 31 N -2.51 3.51 -1.65 2.89 3.52 -0.92 -1.97 118.95 121.81 2wa2 s ARG 31 Ca 0.20 2.22 0.00 0.00 -0.13 0.00 0.00 55.73 58.02 2wa2 s ARG 31 Cb 0.18 -4.29 0.00 0.00 -1.56 0.00 0.00 34.95 29.29 2wa2 s ARG 31 CO 0.57 -1.67 0.00 1.19 -0.81 0.00 0.00 175.30 174.57 2wa2 n PHE 32 N 10.12 0.00 -3.11 5.12 3.72 -1.26 -4.90 117.46 127.14 2wa2 n PHE 32 Ca 0.26 0.00 -0.39 0.00 -0.05 0.00 0.00 57.45 57.27 2wa2 n PHE 32 Cb 0.44 -2.81 -0.05 0.00 -0.94 0.00 0.00 39.48 36.12 2wa2 n PHE 32 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 2wa2 s VAL 33 N -2.52 4.94 0.12 -4.37 1.01 -0.83 -5.01 120.40 113.74 2wa2 s VAL 33 Ca 0.00 1.37 -0.31 0.00 0.00 0.00 0.00 61.98 63.04 2wa2 s VAL 33 Cb 0.00 -4.00 -0.10 0.00 0.00 0.00 0.00 36.38 32.28 2wa2 s VAL 33 CO 0.00 0.34 1.85 -0.69 0.00 0.00 0.00 175.10 176.60 2wa2 s VAL 34 N 0.25 2.51 0.00 2.92 1.01 -1.08 -5.01 120.40 121.00 2wa2 s VAL 34 Ca 0.34 0.01 0.00 0.00 0.00 0.00 0.00 61.98 62.33 2wa2 s VAL 34 Cb -0.18 -3.01 0.00 0.00 0.00 0.00 0.00 36.38 33.19 2wa2 s VAL 34 CO 0.18 -0.00 0.00 -0.62 0.00 0.00 0.00 175.10 174.66 2wa2 n GLU 35 N 5.77 0.00 0.01 2.72 1.02 -1.26 -4.50 120.64 124.41 2wa2 n GLU 35 Ca 0.18 0.00 -0.18 0.00 -0.02 0.00 0.00 57.16 57.14 2wa2 n GLU 35 Cb 0.38 0.00 -0.11 0.00 -0.02 0.00 0.00 31.44 31.69 2wa2 n GLU 35 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 2wa2 h VAL 56 N 0.00 1.38 -3.91 2.62 2.07 -2.02 -3.52 116.25 112.87 2wa2 h VAL 56 Ca 0.00 -2.12 -0.52 0.00 0.82 0.00 0.00 66.70 64.88 2wa2 h VAL 56 Cb 0.00 2.51 0.06 0.00 -1.52 0.00 0.00 31.29 32.33 2wa2 h VAL 56 CO 0.00 0.63 0.56 -0.55 0.02 0.00 0.00 177.57 178.23 2wa2 s SER 57 N -6.92 6.62 0.24 0.57 0.15 -1.26 -4.95 113.70 108.15 2wa2 s SER 57 Ca -0.12 2.50 -0.06 0.00 0.70 0.00 0.00 55.95 58.97 2wa2 s SER 57 Cb 0.05 -2.63 0.27 0.00 -1.71 0.00 0.00 66.02 61.99 2wa2 s SER 57 CO 0.85 -0.62 1.91 0.03 1.20 0.00 0.00 173.24 176.61 2wa2 h ARG 58 N 2.97 1.20 -0.32 5.44 3.08 -2.02 -1.29 114.38 123.44 2wa2 h ARG 58 Ca -0.49 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 59.48 2wa2 h ARG 58 Cb 1.23 -0.27 -0.01 0.00 0.08 0.00 0.00 29.97 31.00 2wa2 h ARG 58 CO 0.64 0.79 0.16 0.78 -1.07 0.00 0.00 179.97 181.27 2wa2 h GLY 59 N 1.23 0.49 0.96 0.04 0.00 -1.97 -1.63 103.07 102.19 2wa2 h GLY 59 Ca 0.36 -0.24 0.01 0.00 0.00 0.00 0.00 47.33 47.46 2wa2 h GLY 59 CO -0.10 0.22 0.08 -0.84 0.00 0.00 0.00 176.54 175.90 2wa2 h THR 60 N 0.39 1.01 -0.83 4.70 2.02 -1.78 -2.11 112.91 116.30 2wa2 h THR 60 Ca 0.11 -0.06 -0.02 0.00 0.77 0.00 0.00 66.41 67.21 2wa2 h THR 60 Cb 0.10 0.83 -0.04 0.00 -1.74 0.00 0.00 68.15 67.30 2wa2 h THR 60 CO -0.02 0.03 0.43 0.00 0.37 0.00 0.00 175.52 176.33 2wa2 h ALA 61 N 1.07 1.19 -0.15 6.16 0.00 -0.95 0.01 119.26 126.58 2wa2 h ALA 61 Ca 0.06 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 2wa2 h ALA 61 Cb -0.00 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.45 2wa2 h ALA 61 CO -0.03 0.64 -0.06 0.87 0.00 0.00 0.00 179.25 180.66 2wa2 h LYS 62 N 1.17 0.31 -0.50 0.00 1.57 -1.13 -1.01 116.57 116.99 2wa2 h LYS 62 Ca 0.29 -0.13 -0.10 0.00 -1.87 0.00 0.00 60.65 58.83 2wa2 h LYS 62 Cb 0.07 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.35 2wa2 h LYS 62 CO -0.04 0.62 -0.10 1.25 -0.57 0.00 0.00 179.45 180.61 2wa2 h LEU 63 N -0.01 0.92 -0.79 2.94 5.85 -1.15 -1.80 115.31 121.27 2wa2 h LEU 63 Ca 0.04 -0.29 0.00 0.00 0.84 0.00 0.00 57.88 58.47 2wa2 h LEU 63 Cb 0.52 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 41.26 2wa2 h LEU 63 CO 0.02 1.04 0.51 0.00 -0.34 0.00 0.00 178.44 179.67 2wa2 h ALA 64 N 1.04 1.00 0.17 1.25 0.00 -0.92 0.71 119.26 122.51 2wa2 h ALA 64 Ca 0.13 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 2wa2 h ALA 64 Cb 0.64 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.11 2wa2 h ALA 64 CO 0.04 0.43 -0.08 2.35 0.00 0.00 0.00 179.25 181.99 2wa2 h TRP 65 N 1.07 -0.22 -0.94 0.00 7.01 -0.85 -0.18 115.95 121.84 2wa2 h TRP 65 Ca 0.29 -0.01 0.04 0.00 2.11 0.00 0.00 58.89 61.32 2wa2 h TRP 65 Cb -0.10 0.07 -0.06 0.00 -2.10 0.00 0.00 29.16 26.98 2wa2 h TRP 65 CO -0.01 -0.13 0.61 0.82 -2.79 0.00 0.00 178.44 176.93 2wa2 h ILE 66 N -0.24 1.15 -0.28 2.65 2.04 -1.07 -1.92 117.51 119.85 2wa2 h ILE 66 Ca -0.02 -0.40 -0.05 0.00 1.00 0.00 0.00 64.86 65.38 2wa2 h ILE 66 Cb 0.18 -0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 36.12 2wa2 h ILE 66 CO 0.04 0.22 -0.02 -0.78 0.00 0.00 0.00 178.15 177.61 2wa2 h ASP 67 N 1.18 0.49 0.62 1.72 3.58 -0.59 0.16 116.42 123.58 2wa2 h ASP 67 Ca 0.38 -0.33 -0.05 0.00 0.42 0.00 0.00 57.03 57.45 2wa2 h ASP 67 Cb 0.01 -0.13 -0.01 0.00 1.72 0.00 0.00 39.33 40.92 2wa2 h ASP 67 CO -0.12 0.70 -0.22 -0.33 -2.88 0.00 0.00 179.24 176.38 2wa2 h GLU 68 N 0.27 0.00 -0.00 0.28 5.08 -0.89 -1.58 114.58 117.74 2wa2 h GLU 68 Ca 0.08 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 2wa2 h GLU 68 Cb 0.46 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.71 2wa2 h GLU 68 CO 0.02 0.22 -0.04 0.54 -1.00 0.00 0.00 179.01 178.75 2wa2 n ARG 69 N -3.59 0.59 -1.60 2.33 5.12 -0.73 -4.91 116.66 113.87 2wa2 n ARG 69 Ca -0.01 -0.08 -0.05 0.00 -1.93 0.00 0.00 57.85 55.78 2wa2 n ARG 69 Cb 0.36 -1.50 -0.01 0.00 -1.16 0.00 0.00 32.46 30.15 2wa2 n ARG 69 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2wa2 n GLY 70 N 1.25 0.47 0.19 -0.13 0.00 -0.59 -4.95 105.19 101.41 2wa2 n GLY 70 Ca 0.16 -0.78 0.03 0.00 0.00 0.00 0.00 46.02 45.43 2wa2 n GLY 70 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2wa2 h GLY 71 N 0.00 0.00 -5.24 -0.02 0.00 -0.86 -3.38 103.07 93.58 2wa2 h GLY 71 Ca -0.10 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.19 2wa2 h GLY 71 CO 0.14 0.00 -0.10 0.54 0.00 0.00 0.00 176.54 177.12 2wa2 s VAL 72 N -4.07 -0.01 -0.46 4.60 0.11 -1.25 -0.00 120.40 119.31 2wa2 s VAL 72 Ca -0.02 0.03 -0.25 0.00 -2.93 0.00 0.00 61.98 58.81 2wa2 s VAL 72 Cb 0.14 -0.85 0.03 0.00 -1.53 0.00 0.00 36.38 34.17 2wa2 s VAL 72 CO 0.71 0.01 0.89 -0.70 -3.33 0.00 0.00 175.10 172.68 2wa2 s GLU 73 N 1.42 3.49 -0.41 1.54 2.56 -1.26 -4.72 118.70 121.31 2wa2 s GLU 73 Ca -0.09 0.08 -0.26 0.00 0.00 0.00 0.00 54.97 54.70 2wa2 s GLU 73 Cb -0.06 -3.93 0.02 0.00 2.00 0.00 0.00 34.13 32.16 2wa2 s GLU 73 CO -0.15 -1.21 0.95 -0.51 -0.56 0.00 0.00 175.26 173.78 2wa2 s LEU 74 N 3.64 3.96 0.03 2.70 1.43 -1.26 -4.76 118.68 124.42 2wa2 s LEU 74 Ca 0.35 0.42 -0.25 0.00 -1.03 0.00 0.00 54.13 53.62 2wa2 s LEU 74 Cb -0.11 -3.28 0.06 0.00 0.03 0.00 0.00 46.19 42.90 2wa2 s LEU 74 CO 0.25 -0.97 0.57 -1.59 0.23 0.00 0.00 176.35 174.84 2wa2 s LYS 75 N 3.68 1.06 6.94 1.70 -2.85 -1.26 -3.96 119.74 125.06 2wa2 s LYS 75 Ca 0.39 -0.12 0.00 0.00 -1.00 0.00 0.00 55.97 55.24 2wa2 s LYS 75 Cb -0.11 0.49 0.00 0.00 -2.06 0.00 0.00 37.83 36.15 2wa2 s LYS 75 CO 0.23 -0.38 0.00 0.41 0.10 0.00 0.00 175.35 175.71 2wa2 n GLY 76 N 0.48 3.21 3.61 0.59 0.00 0.40 -3.96 105.19 109.51 2wa2 n GLY 76 Ca -0.18 -0.25 -0.43 0.00 0.00 0.00 0.00 46.02 45.16 2wa2 n GLY 76 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2wa2 s THR 77 N 0.00 4.29 -0.17 2.61 2.01 -1.26 -0.68 115.64 122.44 2wa2 s THR 77 Ca 0.00 1.32 -0.08 0.00 0.31 0.00 0.00 61.69 63.24 2wa2 s THR 77 Cb 0.00 -4.55 -0.04 0.00 0.01 0.00 0.00 72.50 67.92 2wa2 s THR 77 CO 0.00 -0.88 0.09 -0.69 -0.69 0.00 0.00 174.62 172.45 2wa2 s VAL 78 N 4.23 5.01 -0.15 3.82 1.01 -0.42 -0.36 120.40 133.53 2wa2 s VAL 78 Ca 0.47 0.04 -0.02 0.00 0.00 0.00 0.00 61.98 62.46 2wa2 s VAL 78 Cb -0.08 -3.25 -0.02 0.00 0.00 0.00 0.00 36.38 33.03 2wa2 s VAL 78 CO 0.28 0.48 -0.07 -0.69 0.00 0.00 0.00 175.10 175.10 2wa2 s VAL 79 N 0.14 3.54 -0.47 2.92 1.01 -0.50 -0.74 120.40 126.30 2wa2 s VAL 79 Ca 0.06 -0.48 -0.03 0.00 0.00 0.00 0.00 61.98 61.53 2wa2 s VAL 79 Cb -0.12 -2.54 0.12 0.00 0.00 0.00 0.00 36.38 33.85 2wa2 s VAL 79 CO 0.00 0.49 0.27 -0.62 0.00 0.00 0.00 175.10 175.25 2wa2 s ASP 80 N 0.49 5.28 -0.18 3.32 2.15 0.04 -0.54 116.67 127.25 2wa2 s ASP 80 Ca -0.05 -2.23 -0.23 0.00 0.43 0.00 0.00 52.55 50.46 2wa2 s ASP 80 Cb -0.15 -1.85 -0.02 0.00 -0.30 0.00 0.00 42.92 40.60 2wa2 s ASP 80 CO 0.03 -0.51 0.73 -0.76 -0.17 0.00 0.00 175.17 174.50 2wa2 s LEU 81 N 0.85 4.17 -0.30 -1.34 1.43 -0.13 -1.06 118.68 122.30 2wa2 s LEU 81 Ca 0.10 1.02 -0.01 0.00 -1.03 0.00 0.00 54.13 54.22 2wa2 s LEU 81 Cb -0.22 -3.07 -0.01 0.00 0.03 0.00 0.00 46.19 42.91 2wa2 s LEU 81 CO -0.04 -0.33 0.26 0.61 0.23 0.00 0.00 176.35 177.08 2wa2 n GLY 82 N 3.59 0.29 0.24 -3.19 0.00 0.74 -2.72 105.19 104.14 2wa2 n GLY 82 Ca 0.02 -0.18 0.14 0.00 0.00 0.00 0.00 46.02 46.00 2wa2 n GLY 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wa2 n GLY 84 N 0.66 3.12 0.28 0.00 0.00 -1.26 -0.15 105.19 107.84 2wa2 n GLY 84 Ca 0.03 -0.01 0.14 0.00 0.00 0.00 0.00 46.02 46.17 2wa2 n GLY 84 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2wa2 h ARG 85 N 0.00 0.00 0.00 1.61 3.08 -1.79 -2.78 114.38 114.50 2wa2 h ARG 85 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2wa2 h ARG 85 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 2wa2 h ARG 85 CO 0.00 0.06 0.00 0.41 -1.07 0.00 0.00 179.97 179.37 2wa2 n GLY 86 N -1.01 1.04 0.34 0.04 0.00 0.79 -1.01 105.19 105.38 2wa2 n GLY 86 Ca -0.02 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.95 2wa2 n GLY 86 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2wa2 h SER 87 N 0.00 1.04 -0.44 1.61 0.02 -1.91 -1.84 113.55 112.03 2wa2 h SER 87 Ca 0.00 -0.10 -0.05 0.00 -0.84 0.00 0.00 61.79 60.80 2wa2 h SER 87 Cb 0.00 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.25 2wa2 h SER 87 CO 0.00 0.84 0.10 -0.50 -1.14 0.00 0.00 176.83 176.14 2wa2 h TRP 88 N 1.16 0.81 -0.42 3.45 4.06 -1.86 -0.60 115.95 122.55 2wa2 h TRP 88 Ca 0.29 -0.08 -0.11 0.00 2.06 0.00 0.00 58.89 61.06 2wa2 h TRP 88 Cb 0.03 -0.24 -0.01 0.00 -1.00 0.00 0.00 29.16 27.95 2wa2 h TRP 88 CO 0.01 0.69 -0.16 0.77 -3.56 0.00 0.00 178.44 176.19 2wa2 h SER 89 N 0.75 0.87 -0.01 -3.49 0.02 -1.75 0.12 113.55 110.06 2wa2 h SER 89 Ca 0.16 -0.39 -0.14 0.00 -0.84 0.00 0.00 61.79 60.59 2wa2 h SER 89 Cb 0.31 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.60 2wa2 h SER 89 CO 0.00 1.06 -0.43 1.88 -1.14 0.00 0.00 176.83 178.20 2wa2 h TYR 90 N 0.67 0.65 0.41 3.45 0.05 -1.25 0.13 116.97 121.08 2wa2 h TYR 90 Ca 0.10 -0.20 -0.02 0.00 0.05 0.00 0.00 58.73 58.66 2wa2 h TYR 90 Cb 0.71 -0.14 0.00 0.00 1.01 0.00 0.00 36.73 38.32 2wa2 h TYR 90 CO 0.05 0.88 -0.20 -0.92 -1.05 0.00 0.00 178.16 176.93 2wa2 h TYR 91 N 0.44 -0.52 -0.72 4.88 3.20 -0.89 -2.92 116.97 120.45 2wa2 h TYR 91 Ca 0.03 -0.01 0.09 0.00 3.14 0.00 0.00 58.73 61.98 2wa2 h TYR 91 Cb 0.94 0.17 -0.07 0.00 1.54 0.00 0.00 36.73 39.31 2wa2 h TYR 91 CO 0.04 -0.25 0.37 0.00 -1.64 0.00 0.00 178.16 176.68 2wa2 h ALA 92 N -0.15 1.00 0.00 1.82 0.00 -0.61 -2.21 119.26 119.11 2wa2 h ALA 92 Ca -0.06 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 2wa2 h ALA 92 Cb 0.50 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 2wa2 h ALA 92 CO 0.09 -0.02 -0.01 0.00 0.00 0.00 0.00 179.25 179.31 2wa2 h ALA 93 N 1.43 1.04 -0.01 0.00 0.00 -0.69 -1.89 119.26 119.14 2wa2 h ALA 93 Ca 0.35 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.25 2wa2 h ALA 93 Cb 0.35 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.14 2wa2 h ALA 93 CO -0.26 0.02 -0.09 -1.13 0.00 0.00 0.00 179.25 177.79 2wa2 n SER 94 N -3.16 1.03 -4.84 0.00 3.41 -0.83 -4.42 113.62 104.80 2wa2 n SER 94 Ca -0.01 -1.11 -0.35 0.00 -0.26 0.00 0.00 58.87 57.14 2wa2 n SER 94 Cb 0.18 0.02 -0.06 0.00 -0.26 0.00 0.00 64.21 64.10 2wa2 n SER 94 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 2wa2 s GLN 95 N -2.23 3.99 0.34 4.33 -1.52 -0.71 -5.00 119.66 118.86 2wa2 s GLN 95 Ca 0.33 0.50 0.07 0.00 -1.95 0.00 0.00 55.36 54.31 2wa2 s GLN 95 Cb 0.20 -2.93 0.63 0.00 -0.22 0.00 0.00 33.01 30.69 2wa2 s GLN 95 CO 0.42 0.48 1.84 -1.00 -0.25 0.00 0.00 175.29 176.78 2wa2 h PRO 96 N 3.56 0.34 0.00 2.91 0.13 -1.89 -2.65 132.00 134.41 2wa2 h PRO 96 Ca -0.49 -0.10 0.00 0.00 -0.87 0.00 0.00 66.00 64.55 2wa2 h PRO 96 Cb 1.19 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.28 2wa2 h PRO 96 CO 0.66 0.50 -0.37 0.09 -0.23 0.00 0.00 178.00 178.65 2wa2 n ASN 97 N -4.21 0.38 -4.71 1.44 3.02 -1.26 -4.86 115.26 105.06 2wa2 n ASN 97 Ca -0.00 -0.04 -0.42 0.00 -0.03 0.00 0.00 54.58 54.08 2wa2 n ASN 97 Cb 0.31 0.05 -0.03 0.00 -0.61 0.00 0.00 39.78 39.51 2wa2 n ASN 97 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2wa2 s VAL 98 N -3.01 4.64 -0.23 2.41 1.01 -1.00 -0.46 120.40 123.77 2wa2 s VAL 98 Ca 0.12 1.92 0.08 0.00 0.00 0.00 0.00 61.98 64.10 2wa2 s VAL 98 Cb 0.18 -4.23 -0.20 0.00 0.00 0.00 0.00 36.38 32.13 2wa2 s VAL 98 CO 0.66 0.16 -0.11 0.54 0.00 0.00 0.00 175.10 176.35 2wa2 n ARG 99 N 3.79 0.68 -3.55 2.72 1.74 0.14 -4.79 116.66 117.40 2wa2 n ARG 99 Ca 0.06 0.08 -0.13 0.00 -0.77 0.00 0.00 57.85 57.10 2wa2 n ARG 99 Cb 0.50 -1.51 -0.04 0.00 -1.02 0.00 0.00 32.46 30.38 2wa2 n ARG 99 CO 0.00 0.00 0.00 -1.83 -1.52 0.00 0.00 177.63 174.28 2wa2 s GLU 100 N -2.50 1.11 -0.12 5.56 -1.05 -1.05 -4.92 118.70 115.74 2wa2 s GLU 100 Ca -0.25 -0.38 0.00 0.00 -0.15 0.00 0.00 54.97 54.20 2wa2 s GLU 100 Cb 0.08 0.50 0.02 0.00 -0.44 0.00 0.00 34.13 34.29 2wa2 s GLU 100 CO 0.68 -0.43 -0.11 0.08 0.95 0.00 0.00 175.26 176.43 2wa2 s VAL 101 N -3.04 1.26 -0.35 1.83 1.01 -0.06 -1.31 120.40 119.75 2wa2 s VAL 101 Ca -0.02 -0.46 -0.07 0.00 0.00 0.00 0.00 61.98 61.43 2wa2 s VAL 101 Cb -0.00 -1.21 0.04 0.00 0.00 0.00 0.00 36.38 35.21 2wa2 s VAL 101 CO -0.06 0.40 0.12 -0.54 0.00 0.00 0.00 175.10 175.02 2wa2 s LYS 102 N 1.40 2.66 -0.10 2.72 1.02 0.08 -0.67 119.74 126.85 2wa2 s LYS 102 Ca 0.01 -1.16 0.00 0.00 0.02 0.00 0.00 55.97 54.84 2wa2 s LYS 102 Cb -0.13 -3.51 -0.02 0.00 -0.52 0.00 0.00 37.83 33.64 2wa2 s LYS 102 CO -0.06 -0.67 -0.10 0.00 -0.92 0.00 0.00 175.35 173.60 2wa2 s ALA 103 N 1.43 2.82 -0.02 5.17 0.00 -0.18 -0.78 121.76 130.20 2wa2 s ALA 103 Ca -0.01 -0.89 0.01 0.00 0.00 0.00 0.00 51.96 51.07 2wa2 s ALA 103 Cb -0.19 -1.24 0.01 0.00 0.00 0.00 0.00 23.12 21.69 2wa2 s ALA 103 CO 0.04 0.40 -0.04 0.71 0.00 0.00 0.00 175.76 176.86 2wa2 s TYR 104 N -0.21 0.49 0.10 0.00 2.02 -0.22 -0.24 117.35 119.30 2wa2 s TYR 104 Ca 0.02 -0.10 -0.20 0.00 -0.37 0.00 0.00 57.07 56.42 2wa2 s TYR 104 Cb -0.13 -0.39 0.05 0.00 -0.40 0.00 0.00 41.96 41.09 2wa2 s TYR 104 CO 0.03 -0.07 0.49 -0.08 -1.57 0.00 0.00 175.55 174.35 2wa2 s THR 105 N 0.30 0.04 0.06 -0.71 -1.32 -0.75 -0.18 115.64 113.08 2wa2 s THR 105 Ca -0.03 -0.33 -0.34 0.00 -1.21 0.00 0.00 61.69 59.79 2wa2 s THR 105 Cb -0.07 -1.05 -0.19 0.00 -1.51 0.00 0.00 72.50 69.68 2wa2 s THR 105 CO -0.00 -0.18 1.57 -0.07 -2.21 0.00 0.00 174.62 173.72 2wa2 h LEU 106 N 2.46 -0.85 0.47 9.08 3.38 -1.83 -1.79 115.31 126.24 2wa2 h LEU 106 Ca -0.33 0.02 -0.20 0.00 0.09 0.00 0.00 57.88 57.46 2wa2 h LEU 106 Cb 1.25 0.22 -0.08 0.00 0.09 0.00 0.00 40.66 42.14 2wa2 h LEU 106 CO 0.43 -0.59 -0.19 0.61 0.09 0.00 0.00 178.44 178.79 2wa2 n GLY 107 N -1.44 1.05 3.36 0.83 0.00 -1.25 -1.15 105.19 106.58 2wa2 n GLY 107 Ca -0.14 -0.16 -0.23 0.00 0.00 0.00 0.00 46.02 45.48 2wa2 n GLY 107 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2wa2 n THR 108 N -2.42 0.00 -1.72 2.61 -2.24 -1.26 -4.78 114.28 104.47 2wa2 n THR 108 Ca -0.10 -1.05 -0.59 0.00 -2.27 0.00 0.00 64.05 60.04 2wa2 n THR 108 Cb 0.47 -1.34 -0.08 0.00 -2.10 0.00 0.00 70.33 67.28 2wa2 n THR 108 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2wa2 n SER 109 N -3.43 2.18 -0.26 3.42 7.64 -1.26 -0.73 113.62 121.17 2wa2 n SER 109 Ca 0.14 1.09 -0.03 0.00 1.01 0.00 0.00 58.87 61.08 2wa2 n SER 109 Cb 0.51 -1.09 -0.01 0.00 -1.01 0.00 0.00 64.21 62.60 2wa2 n SER 109 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2wa2 n GLY 110 N 4.16 0.65 3.28 0.23 0.00 -1.26 -5.03 105.19 107.22 2wa2 n GLY 110 Ca 0.27 -0.91 -0.29 0.00 0.00 0.00 0.00 46.02 45.09 2wa2 n GLY 110 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2wa2 s HIS 111 N -2.13 2.16 0.28 1.61 4.02 0.09 -5.11 115.29 116.21 2wa2 s HIS 111 Ca 0.00 -0.41 -0.30 0.00 1.02 0.00 0.00 55.06 55.37 2wa2 s HIS 111 Cb 0.00 -1.37 -0.12 0.00 -1.02 0.00 0.00 32.58 30.07 2wa2 s HIS 111 CO 0.00 -0.01 1.55 0.39 1.02 0.00 0.00 174.74 177.69 2wa2 n GLU 112 N 2.35 2.54 -4.00 1.40 -0.58 -1.26 -4.38 120.64 116.70 2wa2 n GLU 112 Ca -0.16 0.90 -0.30 0.00 -0.42 0.00 0.00 57.16 57.19 2wa2 n GLU 112 Cb 0.52 -2.65 -0.05 0.00 -0.57 0.00 0.00 31.44 28.68 2wa2 n GLU 112 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 2wa2 s LYS 113 N -0.47 3.10 0.36 3.49 1.02 -1.26 -3.94 119.74 122.05 2wa2 s LYS 113 Ca 0.65 -0.62 -0.27 0.00 0.02 0.00 0.00 55.97 55.74 2wa2 s LYS 113 Cb -0.53 -2.84 -0.12 0.00 -0.52 0.00 0.00 37.83 33.83 2wa2 s LYS 113 CO 0.49 0.57 1.28 -2.30 -0.92 0.00 0.00 175.35 174.46 2wa2 n PRO 114 N 0.23 2.06 -3.59 -1.68 -0.02 -1.05 -3.90 135.00 127.05 2wa2 n PRO 114 Ca -0.07 0.73 -0.40 0.00 -2.02 0.00 0.00 63.50 61.73 2wa2 n PRO 114 Cb 0.52 -2.34 -0.10 0.00 -0.02 0.00 0.00 33.50 31.57 2wa2 n PRO 114 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 2wa2 s ARG 115 N -1.97 2.58 0.02 -0.52 6.06 -0.18 -4.95 118.95 119.99 2wa2 s ARG 115 Ca 0.57 -1.52 -0.30 0.00 -2.50 0.00 0.00 55.73 51.97 2wa2 s ARG 115 Cb -0.55 -3.81 -0.06 0.00 0.06 0.00 0.00 34.95 30.59 2wa2 s ARG 115 CO 0.61 -1.00 1.33 -0.51 -2.50 0.00 0.00 175.30 173.23 2wa2 s LEU 116 N 1.41 4.33 0.22 -0.88 1.43 -1.26 -4.89 118.68 119.04 2wa2 s LEU 116 Ca 0.04 2.09 0.02 0.00 -1.03 0.00 0.00 54.13 55.25 2wa2 s LEU 116 Cb -0.24 -3.57 -0.05 0.00 0.03 0.00 0.00 46.19 42.37 2wa2 s LEU 116 CO 0.01 -0.64 0.04 0.68 0.23 0.00 0.00 176.35 176.68 2wa2 s VAL 117 N 1.89 0.68 -0.32 -1.59 -7.23 -1.26 -5.07 120.40 107.50 2wa2 s VAL 117 Ca 0.62 -2.00 0.11 0.00 -1.81 0.00 0.00 61.98 58.91 2wa2 s VAL 117 Cb -0.31 -2.39 0.74 0.00 0.56 0.00 0.00 36.38 34.99 2wa2 s VAL 117 CO 0.27 -0.24 1.71 1.21 -0.31 0.00 0.00 175.10 177.74 2wa2 n GLU 118 N -0.37 4.20 -1.54 4.82 2.13 -1.26 -4.82 120.64 123.80 2wa2 n GLU 118 Ca -0.03 -2.93 -0.30 0.00 0.66 0.00 0.00 57.16 54.55 2wa2 n GLU 118 Cb 0.65 -2.20 0.08 0.00 0.27 0.00 0.00 31.44 30.23 2wa2 n GLU 118 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 2wa2 s THR 119 N -2.74 3.38 0.17 6.31 -4.23 -1.26 -4.90 115.64 112.38 2wa2 s THR 119 Ca 0.52 0.45 -0.33 0.00 -1.18 0.00 0.00 61.69 61.14 2wa2 s THR 119 Cb 0.40 -3.18 -0.14 0.00 1.34 0.00 0.00 72.50 70.92 2wa2 s THR 119 CO 0.14 -0.59 1.42 0.33 -0.54 0.00 0.00 174.62 175.38 2wa2 n PHE 120 N -3.35 1.96 -0.38 3.99 7.35 -1.26 -1.92 117.46 123.85 2wa2 n PHE 120 Ca 0.07 0.45 0.00 0.00 -0.76 0.00 0.00 57.45 57.21 2wa2 n PHE 120 Cb 0.55 -2.44 0.00 0.00 0.35 0.00 0.00 39.48 37.94 2wa2 n PHE 120 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2wa2 n GLY 121 N 2.64 1.23 0.46 7.13 0.00 -1.26 -4.27 105.19 111.11 2wa2 n GLY 121 Ca 0.15 0.00 0.28 0.00 0.00 0.00 0.00 46.02 46.45 2wa2 n GLY 121 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 173.32 173.43 2wa2 h TRP 122 N 0.00 0.37 0.00 1.61 5.08 -1.70 -0.46 115.95 120.85 2wa2 h TRP 122 Ca 0.00 0.01 0.00 0.00 1.08 0.00 0.00 58.89 59.98 2wa2 h TRP 122 Cb 0.00 -0.11 0.00 0.00 -3.00 0.00 0.00 29.16 26.05 2wa2 h TRP 122 CO 0.00 0.03 0.00 0.27 -1.28 0.00 0.00 178.44 177.46 2wa2 n ASN 123 N -4.44 0.53 0.05 0.11 6.94 -1.26 -2.28 115.26 114.90 2wa2 n ASN 123 Ca 0.25 0.58 0.13 0.00 -0.02 0.00 0.00 54.58 55.52 2wa2 n ASN 123 Cb 1.03 -0.71 0.42 0.00 -2.36 0.00 0.00 39.78 38.16 2wa2 n ASN 123 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 2wa2 n LEU 124 N -2.03 0.47 -4.82 -4.53 4.77 -0.18 -4.87 117.00 105.81 2wa2 n LEU 124 Ca 0.05 0.42 -0.37 0.00 -0.03 0.00 0.00 56.01 56.08 2wa2 n LEU 124 Cb 0.32 -0.35 -0.06 0.00 -2.33 0.00 0.00 43.42 41.00 2wa2 n LEU 124 CO 0.25 -0.06 -0.07 -0.63 -1.33 0.00 0.00 177.39 175.55 2wa2 s ILE 125 N -3.06 5.34 -0.29 -0.08 1.01 -0.97 -0.89 121.20 122.27 2wa2 s ILE 125 Ca 0.11 0.43 -0.04 0.00 0.00 0.00 0.00 60.65 61.16 2wa2 s ILE 125 Cb 0.15 -3.54 0.03 0.00 0.01 0.00 0.00 42.46 39.12 2wa2 s ILE 125 CO 0.61 0.54 0.01 -0.89 0.00 0.00 0.00 174.94 175.20 2wa2 s THR 126 N -0.53 3.29 -0.09 2.92 2.01 0.15 -4.96 115.64 118.43 2wa2 s THR 126 Ca 0.17 -1.06 -0.18 0.00 0.31 0.00 0.00 61.69 60.93 2wa2 s THR 126 Cb -0.13 -2.76 -0.04 0.00 0.01 0.00 0.00 72.50 69.57 2wa2 s THR 126 CO 0.05 0.04 0.47 -0.36 -0.69 0.00 0.00 174.62 174.14 2wa2 s PHE 127 N 1.36 3.55 -0.24 4.92 0.08 -1.26 -1.01 117.98 125.37 2wa2 s PHE 127 Ca -0.01 0.92 0.01 0.00 0.12 0.00 0.00 56.93 57.97 2wa2 s PHE 127 Cb -0.18 -2.52 0.06 0.00 -0.57 0.00 0.00 43.02 39.81 2wa2 s PHE 127 CO -0.01 0.24 -0.04 0.21 -0.10 0.00 0.00 175.22 175.53 2wa2 s LYS 128 N 0.34 1.54 0.81 0.44 2.20 0.67 -4.97 119.74 120.77 2wa2 s LYS 128 Ca 0.26 -1.03 -0.08 0.00 -0.36 0.00 0.00 55.97 54.75 2wa2 s LYS 128 Cb -0.16 -2.58 0.14 0.00 -1.51 0.00 0.00 37.83 33.72 2wa2 s LYS 128 CO 0.11 -0.64 1.13 -1.12 -0.36 0.00 0.00 175.35 174.47 2wa2 s SER 129 N 1.39 3.98 -1.24 1.43 0.01 -1.26 -1.80 113.70 116.21 2wa2 s SER 129 Ca -0.04 0.10 -0.01 0.00 1.31 0.00 0.00 55.95 57.31 2wa2 s SER 129 Cb -0.19 -0.41 0.00 0.00 0.21 0.00 0.00 66.02 65.63 2wa2 s SER 129 CO -0.07 -2.14 0.98 0.29 0.41 0.00 0.00 173.24 172.71 2wa2 n LYS 130 N -3.23 -6.55 -3.93 12.44 4.76 -0.30 -4.85 118.16 116.50 2wa2 n LYS 130 Ca 0.13 0.81 -0.17 0.00 -2.87 0.00 0.00 58.31 56.22 2wa2 n LYS 130 Cb 0.60 -5.77 -0.16 0.00 -1.84 0.00 0.00 35.03 27.86 2wa2 n LYS 130 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2wa2 s VAL 131 N -3.39 0.17 -0.49 -0.18 1.01 -1.05 -5.01 120.40 111.46 2wa2 s VAL 131 Ca 0.09 0.09 -0.21 0.00 0.00 0.00 0.00 61.98 61.94 2wa2 s VAL 131 Cb -0.04 -0.27 0.04 0.00 0.00 0.00 0.00 36.38 36.11 2wa2 s VAL 131 CO 0.74 0.14 0.71 -0.62 0.00 0.00 0.00 175.10 176.08 2wa2 s ASP 132 N 1.02 6.29 0.51 3.32 -1.08 -1.26 -2.83 116.67 122.64 2wa2 s ASP 132 Ca -0.10 -0.58 0.30 0.00 -0.52 0.00 0.00 52.55 51.65 2wa2 s ASP 132 Cb -0.14 -2.34 1.25 0.00 -1.46 0.00 0.00 42.92 40.24 2wa2 s ASP 132 CO -0.02 -0.93 1.95 -0.37 0.52 0.00 0.00 175.17 176.32 2wa2 h VAL 133 N 5.91 0.26 0.00 1.11 -1.51 -1.94 -1.68 116.25 118.39 2wa2 h VAL 133 Ca -0.26 -0.71 0.00 0.00 -1.23 0.00 0.00 66.70 64.49 2wa2 h VAL 133 Cb 1.09 1.57 0.00 0.00 -2.13 0.00 0.00 31.29 31.82 2wa2 h VAL 133 CO 0.97 0.09 0.00 0.35 -1.23 0.00 0.00 177.57 177.75 2wa2 n THR 134 N -3.26 1.24 -0.33 7.19 -2.24 -1.26 -2.43 114.28 113.20 2wa2 n THR 134 Ca 0.00 0.40 0.03 0.00 -2.27 0.00 0.00 64.05 62.21 2wa2 n THR 134 Cb 0.33 -1.30 0.06 0.00 -2.10 0.00 0.00 70.33 67.32 2wa2 n THR 134 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2wa2 n LYS 135 N -1.80 2.56 -3.45 -0.78 4.76 -0.64 -4.99 118.16 113.83 2wa2 n LYS 135 Ca 0.01 -1.89 -0.38 0.00 -2.87 0.00 0.00 58.31 53.19 2wa2 n LYS 135 Cb 0.11 -1.19 -0.06 0.00 -1.84 0.00 0.00 35.03 32.05 2wa2 n LYS 135 CO 0.00 0.00 0.00 1.41 -1.37 0.00 0.00 177.40 177.44 2wa2 s MET 136 N -1.54 3.99 0.04 1.97 1.75 -1.02 -5.04 119.30 119.45 2wa2 s MET 136 Ca 0.12 0.49 -0.30 0.00 -1.25 0.00 0.00 55.69 54.74 2wa2 s MET 136 Cb 0.10 -3.23 -0.07 0.00 2.84 0.00 0.00 34.83 34.47 2wa2 s MET 136 CO 0.03 0.67 1.58 -2.00 -0.65 0.00 0.00 175.02 174.65 2wa2 s GLU 137 N -1.06 4.22 0.62 4.11 2.56 -1.26 -4.99 118.70 122.91 2wa2 s GLU 137 Ca 0.25 2.21 -0.18 0.00 0.00 0.00 0.00 54.97 57.25 2wa2 s GLU 137 Cb -0.17 -3.60 -0.02 0.00 2.00 0.00 0.00 34.13 32.33 2wa2 s GLU 137 CO 0.15 -0.69 1.26 -2.14 -0.56 0.00 0.00 175.26 173.28 2wa2 s PRO 138 N 2.61 2.74 0.27 4.30 0.02 -1.26 -5.03 135.00 138.65 2wa2 s PRO 138 Ca 0.71 1.98 0.06 0.00 0.02 0.00 0.00 61.00 63.76 2wa2 s PRO 138 Cb -0.37 -1.89 -0.02 0.00 0.02 0.00 0.00 34.50 32.24 2wa2 s PRO 138 CO 0.30 -1.43 0.20 1.97 -0.33 0.00 0.00 177.00 177.72 2wa2 n PHE 139 N -1.75 -0.51 -1.68 6.54 1.16 -1.26 -5.10 117.46 114.88 2wa2 n PHE 139 Ca 0.15 -2.16 -0.45 0.00 -1.87 0.00 0.00 57.45 53.12 2wa2 n PHE 139 Cb 0.49 0.19 -0.04 0.00 -1.61 0.00 0.00 39.48 38.51 2wa2 n PHE 139 CO 0.00 0.00 0.00 0.94 -1.87 0.00 0.00 176.76 175.83 2wa2 n GLN 140 N -0.53 2.49 -3.66 3.97 0.00 -1.26 -4.89 117.38 113.49 2wa2 n GLN 140 Ca 0.04 0.91 -0.14 0.00 -0.00 0.00 0.00 57.00 57.81 2wa2 n GLN 140 Cb 0.47 -2.79 -0.08 0.00 0.00 0.00 0.00 30.24 27.84 2wa2 n GLN 140 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2wa2 s ALA 141 N 3.48 -1.46 -0.24 1.69 0.00 -1.26 -4.94 121.76 119.03 2wa2 s ALA 141 Ca 0.88 1.59 0.23 0.00 0.00 0.00 0.00 51.96 54.65 2wa2 s ALA 141 Cb -0.58 -0.86 -0.00 0.00 0.00 0.00 0.00 23.12 21.68 2wa2 s ALA 141 CO 0.44 -0.29 1.03 -0.25 0.00 0.00 0.00 175.76 176.70 2wa2 n ASP 142 N 2.56 0.81 -3.74 0.00 8.00 0.52 -4.82 116.55 119.89 2wa2 n ASP 142 Ca -0.14 0.30 -0.16 0.00 0.71 0.00 0.00 54.79 55.50 2wa2 n ASP 142 Cb 0.56 0.50 -0.16 0.00 -0.02 0.00 0.00 41.12 42.00 2wa2 n ASP 142 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2wa2 s THR 143 N -3.36 -0.09 -0.27 -3.53 2.01 -0.90 -1.61 115.64 107.89 2wa2 s THR 143 Ca -0.01 0.26 -0.04 0.00 0.31 0.00 0.00 61.69 62.22 2wa2 s THR 143 Cb 0.10 -0.15 0.02 0.00 0.01 0.00 0.00 72.50 72.47 2wa2 s THR 143 CO 0.79 0.11 0.01 -0.69 -0.69 0.00 0.00 174.62 174.15 2wa2 s VAL 144 N 1.43 3.44 -0.06 3.82 1.01 0.29 -1.40 120.40 128.93 2wa2 s VAL 144 Ca -0.05 -0.84 0.00 0.00 0.00 0.00 0.00 61.98 61.09 2wa2 s VAL 144 Cb -0.12 -2.76 -0.03 0.00 0.00 0.00 0.00 36.38 33.47 2wa2 s VAL 144 CO -0.04 0.15 -0.03 -0.76 0.00 0.00 0.00 175.10 174.41 2wa2 s LEU 145 N 1.42 3.37 -0.20 3.92 1.43 0.30 -1.28 118.68 127.63 2wa2 s LEU 145 Ca 0.02 0.03 -0.09 0.00 -1.03 0.00 0.00 54.13 53.05 2wa2 s LEU 145 Cb -0.17 -1.80 0.08 0.00 0.03 0.00 0.00 46.19 44.34 2wa2 s LEU 145 CO -0.01 0.35 0.46 0.00 0.23 0.00 0.00 176.35 177.38 2wa2 n ASP 147 N 4.94 4.21 -4.77 0.00 2.03 -1.10 -0.38 116.55 121.48 2wa2 n ASP 147 Ca -0.15 -3.40 -0.39 0.00 0.52 0.00 0.00 54.79 51.37 2wa2 n ASP 147 Cb 0.52 -0.38 -0.06 0.00 -0.72 0.00 0.00 41.12 40.49 2wa2 n ASP 147 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2wa2 s ILE 148 N -4.47 4.63 0.00 5.18 1.01 -1.26 -4.93 121.20 121.36 2wa2 s ILE 148 Ca 0.46 1.56 0.00 0.00 0.00 0.00 0.00 60.65 62.67 2wa2 s ILE 148 Cb 0.39 -4.08 0.00 0.00 0.01 0.00 0.00 42.46 38.79 2wa2 s ILE 148 CO 0.01 0.45 0.00 0.61 0.00 0.00 0.00 174.94 176.01 2wa2 n GLY 149 N 2.06 1.85 3.67 6.18 0.00 -1.26 -4.70 105.19 112.99 2wa2 n GLY 149 Ca -0.05 0.14 -0.37 0.00 0.00 0.00 0.00 46.02 45.74 2wa2 n GLY 149 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2wa2 s GLU 150 N -0.27 4.12 0.27 1.61 2.12 -1.26 -4.97 118.70 120.32 2wa2 s GLU 150 Ca 0.00 -0.11 -0.29 0.00 0.36 0.00 0.00 54.97 54.93 2wa2 s GLU 150 Cb 0.00 -3.52 -0.14 0.00 0.26 0.00 0.00 34.13 30.73 2wa2 s GLU 150 CO 0.00 0.07 1.08 0.43 -0.54 0.00 0.00 175.26 176.30 2wa2 n SER 151 N 4.22 1.51 -3.86 -1.70 7.64 -1.26 -4.94 113.62 115.22 2wa2 n SER 151 Ca -0.13 1.17 -0.12 0.00 1.01 0.00 0.00 58.87 60.80 2wa2 n SER 151 Cb 0.52 -1.30 -0.14 0.00 -1.01 0.00 0.00 64.21 62.28 2wa2 n SER 151 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 2wa2 s ASN 152 N -0.39 -0.00 0.63 6.43 3.84 -1.26 -5.05 114.94 119.13 2wa2 s ASN 152 Ca 0.61 0.02 0.37 0.00 0.21 0.00 0.00 52.86 54.07 2wa2 s ASN 152 Cb -0.71 0.01 2.12 0.00 -0.55 0.00 0.00 41.25 42.11 2wa2 s ASN 152 CO 0.58 -0.01 2.31 -0.65 -2.79 0.00 0.00 177.10 176.54 2wa2 h PRO 153 N 6.20 0.00 -5.02 0.43 0.11 -2.01 -3.40 132.00 128.31 2wa2 h PRO 153 Ca -0.25 0.00 -0.66 0.00 0.11 0.00 0.00 66.00 65.20 2wa2 h PRO 153 Cb 1.21 0.00 -0.17 0.00 0.11 0.00 0.00 31.00 32.15 2wa2 h PRO 153 CO 0.50 0.00 -0.24 0.99 -0.21 0.00 0.00 178.00 179.04 2wa2 s THR 154 N -4.40 5.14 0.35 -1.15 2.01 -1.26 -4.96 115.64 111.37 2wa2 s THR 154 Ca -0.05 0.15 0.04 0.00 0.31 0.00 0.00 61.69 62.15 2wa2 s THR 154 Cb 0.14 -3.83 0.18 0.00 0.01 0.00 0.00 72.50 69.00 2wa2 s THR 154 CO 0.48 -0.09 1.90 0.00 -0.69 0.00 0.00 174.62 176.23 2wa2 h ALA 155 N 8.43 1.42 -0.30 7.40 0.00 -1.99 -1.80 119.26 132.42 2wa2 h ALA 155 Ca -0.30 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.37 2wa2 h ALA 155 Cb 1.14 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 2wa2 h ALA 155 CO 0.70 0.42 -0.12 0.00 0.00 0.00 0.00 179.25 180.24 2wa2 h ALA 156 N 1.53 1.23 -0.29 0.00 0.00 -1.94 0.25 119.26 120.04 2wa2 h ALA 156 Ca 0.12 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 2wa2 h ALA 156 Cb 0.26 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 2wa2 h ALA 156 CO 0.00 0.50 0.12 0.28 0.00 0.00 0.00 179.25 180.15 2wa2 h VAL 157 N 0.47 1.18 -0.50 0.00 2.07 -1.73 -1.53 116.25 116.21 2wa2 h VAL 157 Ca 0.09 -0.53 -0.01 0.00 0.82 0.00 0.00 66.70 67.06 2wa2 h VAL 157 Cb 0.50 0.98 -0.02 0.00 -1.52 0.00 0.00 31.29 31.23 2wa2 h VAL 157 CO 0.03 0.18 0.27 -0.33 0.02 0.00 0.00 177.57 177.74 2wa2 h GLU 158 N 0.33 0.70 -0.55 1.57 5.08 -0.96 -2.00 114.58 118.75 2wa2 h GLU 158 Ca 0.10 -0.08 0.09 0.00 -1.00 0.00 0.00 59.36 58.46 2wa2 h GLU 158 Cb 0.18 -0.14 -0.07 0.00 0.50 0.00 0.00 28.75 29.22 2wa2 h GLU 158 CO -0.01 0.55 0.16 0.00 -1.00 0.00 0.00 179.01 178.71 2wa2 h ALA 159 N 1.11 0.67 -0.42 3.43 0.00 -0.46 -0.10 119.26 123.49 2wa2 h ALA 159 Ca 0.17 0.09 -0.03 0.00 0.00 0.00 0.00 54.91 55.15 2wa2 h ALA 159 Cb 0.06 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 2wa2 h ALA 159 CO -0.03 -0.25 0.15 0.77 0.00 0.00 0.00 179.25 179.90 2wa2 h SER 160 N 0.32 0.60 -0.40 0.00 0.02 -1.03 -0.00 113.55 113.06 2wa2 h SER 160 Ca 0.28 -0.19 -0.08 0.00 -0.84 0.00 0.00 61.79 60.96 2wa2 h SER 160 Cb 0.35 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.72 2wa2 h SER 160 CO -0.31 0.62 -0.04 0.03 -1.14 0.00 0.00 176.83 175.99 2wa2 h ARG 161 N 0.54 0.82 -0.23 3.45 3.08 -1.22 -1.81 114.38 119.02 2wa2 h ARG 161 Ca 0.14 -0.25 -0.01 0.00 0.07 0.00 0.00 59.98 59.94 2wa2 h ARG 161 Cb 0.23 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.18 2wa2 h ARG 161 CO -0.01 0.85 0.11 1.15 -1.07 0.00 0.00 179.97 181.01 2wa2 h THR 162 N 0.76 1.13 -0.73 2.04 2.02 -0.64 -1.98 112.91 115.52 2wa2 h THR 162 Ca 0.14 -0.38 0.05 0.00 0.77 0.00 0.00 66.41 67.00 2wa2 h THR 162 Cb 0.52 0.97 -0.05 0.00 -1.74 0.00 0.00 68.15 67.84 2wa2 h THR 162 CO 0.03 0.13 0.43 -0.07 0.37 0.00 0.00 175.52 176.41 2wa2 h LEU 163 N 0.24 0.67 -0.32 2.58 3.38 -0.84 -0.89 115.31 120.11 2wa2 h LEU 163 Ca 0.08 0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.09 2wa2 h LEU 163 Cb 0.11 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 2wa2 h LEU 163 CO -0.01 0.43 0.17 0.74 0.09 0.00 0.00 178.44 179.86 2wa2 h THR 164 N 0.80 1.00 -0.06 0.22 2.02 -1.11 -0.74 112.91 115.04 2wa2 h THR 164 Ca 0.32 -0.12 0.01 0.00 0.77 0.00 0.00 66.41 67.39 2wa2 h THR 164 Cb 0.15 0.62 -0.01 0.00 -1.74 0.00 0.00 68.15 67.16 2wa2 h THR 164 CO -0.16 0.06 -0.03 0.58 0.37 0.00 0.00 175.52 176.34 2wa2 h VAL 165 N 0.35 0.91 -0.65 3.16 2.07 -0.92 -1.98 116.25 119.20 2wa2 h VAL 165 Ca 0.13 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.68 2wa2 h VAL 165 Cb 0.03 0.91 -0.04 0.00 -1.52 0.00 0.00 31.29 30.68 2wa2 h VAL 165 CO -0.08 0.00 0.40 -0.07 0.02 0.00 0.00 177.57 177.84 2wa2 h LEU 166 N -0.02 0.65 -0.74 2.57 3.38 -0.98 0.14 115.31 120.31 2wa2 h LEU 166 Ca 0.03 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.03 2wa2 h LEU 166 Cb 0.07 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.64 2wa2 h LEU 166 CO -0.07 0.45 0.47 -1.13 0.09 0.00 0.00 178.44 178.25 2wa2 h ASN 167 N 0.78 0.78 0.07 -0.43 -0.73 -1.03 0.68 115.58 115.71 2wa2 h ASN 167 Ca 0.26 -0.01 -0.00 0.00 1.87 0.00 0.00 56.30 58.42 2wa2 h ASN 167 Cb 0.02 -0.18 0.00 0.00 0.27 0.00 0.00 38.32 38.44 2wa2 h ASN 167 CO -0.11 0.55 -0.03 0.58 -0.37 0.00 0.00 177.43 178.05 2wa2 h VAL 168 N 0.93 1.07 -1.00 2.57 2.07 -0.73 -3.06 116.25 118.10 2wa2 h VAL 168 Ca 0.29 -0.49 0.04 0.00 0.82 0.00 0.00 66.70 67.37 2wa2 h VAL 168 Cb -0.01 1.39 -0.06 0.00 -1.52 0.00 0.00 31.29 31.09 2wa2 h VAL 168 CO -0.10 0.12 0.65 0.40 0.02 0.00 0.00 177.57 178.66 2wa2 h ILE 169 N -0.32 1.16 -0.91 4.57 1.08 -0.58 -1.84 117.51 120.67 2wa2 h ILE 169 Ca -0.01 -0.43 0.13 0.00 -0.39 0.00 0.00 64.86 64.17 2wa2 h ILE 169 Cb 0.27 -0.20 -0.07 0.00 -3.07 0.00 0.00 36.82 33.75 2wa2 h ILE 169 CO 0.02 0.23 0.58 0.28 -0.69 0.00 0.00 178.15 178.56 2wa2 h SER 170 N 1.25 0.71 -0.62 1.72 0.02 -0.77 -0.42 113.55 115.45 2wa2 h SER 170 Ca 0.40 0.04 -0.06 0.00 -0.84 0.00 0.00 61.79 61.34 2wa2 h SER 170 Cb 0.03 -0.10 -0.03 0.00 0.14 0.00 0.00 62.40 62.45 2wa2 h SER 170 CO -0.13 0.37 0.15 0.03 -1.14 0.00 0.00 176.83 176.11 2wa2 h ARG 171 N 0.75 0.99 -0.48 3.45 3.08 -1.25 0.20 114.38 121.12 2wa2 h ARG 171 Ca 0.45 -0.24 -0.02 0.00 0.07 0.00 0.00 59.98 60.25 2wa2 h ARG 171 Cb 0.65 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.55 2wa2 h ARG 171 CO -0.21 0.90 0.22 -1.49 -1.07 0.00 0.00 179.97 178.31 2wa2 h TRP 172 N 0.90 0.71 -0.42 3.04 4.06 -1.00 -1.06 115.95 122.18 2wa2 h TRP 172 Ca 0.19 -0.04 -0.11 0.00 2.06 0.00 0.00 58.89 60.99 2wa2 h TRP 172 Cb 0.35 -0.22 -0.02 0.00 -1.00 0.00 0.00 29.16 28.28 2wa2 h TRP 172 CO 0.03 0.58 -0.19 -0.07 -3.56 0.00 0.00 178.44 175.22 2wa2 h LEU 173 N 0.64 0.81 -0.43 -4.49 3.38 -0.92 -0.51 115.31 113.79 2wa2 h LEU 173 Ca 0.16 -0.28 -0.02 0.00 0.09 0.00 0.00 57.88 57.84 2wa2 h LEU 173 Cb 0.14 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 2wa2 h LEU 173 CO -0.02 0.99 0.20 -0.08 0.09 0.00 0.00 178.44 179.62 2wa2 h GLU 174 N 0.71 0.63 -0.35 1.13 4.81 -0.88 -3.13 114.58 117.50 2wa2 h GLU 174 Ca 0.10 -0.10 -0.11 0.00 -0.13 0.00 0.00 59.36 59.13 2wa2 h GLU 174 Cb 0.70 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.95 2wa2 h GLU 174 CO 0.05 0.55 -0.23 -0.92 -0.73 0.00 0.00 179.01 177.73 2wa2 h TYR 175 N 0.56 0.79 -2.47 0.92 3.20 -0.95 -3.34 116.97 115.67 2wa2 h TYR 175 Ca 0.15 -0.18 -0.69 0.00 3.14 0.00 0.00 58.73 61.15 2wa2 h TYR 175 Cb 0.13 -0.19 -0.36 0.00 1.54 0.00 0.00 36.73 37.85 2wa2 h TYR 175 CO -0.01 0.87 -0.02 0.09 -1.64 0.00 0.00 178.16 177.45 2wa2 n ASN 176 N -4.11 4.93 -4.71 -2.11 3.02 -0.22 -5.02 115.26 107.04 2wa2 n ASN 176 Ca -0.00 -3.45 -0.65 0.00 -0.03 0.00 0.00 54.58 50.45 2wa2 n ASN 176 Cb 0.43 -0.91 -0.09 0.00 -0.61 0.00 0.00 39.78 38.59 2wa2 n ASN 176 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2wa2 n GLN 177 N 0.95 0.28 -0.86 3.52 6.02 -1.23 -1.37 117.38 124.68 2wa2 n GLN 177 Ca 0.29 0.10 0.00 0.00 -0.01 0.00 0.00 57.00 57.38 2wa2 n GLN 177 Cb 0.37 -1.65 0.00 0.00 1.02 0.00 0.00 30.24 29.98 2wa2 n GLN 177 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2wa2 n GLY 178 N 4.28 0.81 3.74 1.08 0.00 -1.26 -5.02 105.19 108.81 2wa2 n GLY 178 Ca 0.31 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.00 2wa2 n GLY 178 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wa2 s GLY 180 N -2.34 1.80 0.03 0.00 0.00 -0.63 -4.94 107.32 101.23 2wa2 s GLY 180 Ca 0.70 0.12 -0.25 0.00 0.00 0.00 0.00 44.72 45.29 2wa2 s GLY 180 CO 0.45 0.42 0.57 -0.11 0.00 0.00 0.00 173.10 174.43 2wa2 s PHE 181 N -2.91 -0.50 -0.24 1.90 -0.12 -1.26 -0.55 117.98 114.29 2wa2 s PHE 181 Ca 0.59 0.65 -0.04 0.00 -0.05 0.00 0.00 56.93 58.08 2wa2 s PHE 181 Cb -0.13 0.38 0.13 0.00 -0.63 0.00 0.00 43.02 42.77 2wa2 s PHE 181 CO 0.49 -0.65 0.43 0.00 -0.05 0.00 0.00 175.22 175.44 2wa2 s VAL 183 N 2.62 1.07 0.25 0.00 1.01 0.12 -1.27 120.40 124.20 2wa2 s VAL 183 Ca 0.10 -0.35 -0.31 0.00 0.00 0.00 0.00 61.98 61.42 2wa2 s VAL 183 Cb -0.14 -1.05 -0.11 0.00 0.00 0.00 0.00 36.38 35.07 2wa2 s VAL 183 CO -0.16 0.37 1.64 -0.75 0.00 0.00 0.00 175.10 176.20 2wa2 s LYS 184 N 1.43 4.13 -0.40 2.72 2.20 0.49 -0.09 119.74 130.21 2wa2 s LYS 184 Ca -0.00 2.58 0.03 0.00 -0.36 0.00 0.00 55.97 58.22 2wa2 s LYS 184 Cb -0.13 -3.05 0.11 0.00 -1.51 0.00 0.00 37.83 33.25 2wa2 s LYS 184 CO -0.05 -0.67 0.13 0.08 -0.36 0.00 0.00 175.35 174.47 2wa2 s VAL 185 N 0.50 2.45 0.10 4.02 1.01 0.16 -4.79 120.40 123.84 2wa2 s VAL 185 Ca 0.68 -2.63 -0.20 0.00 0.00 0.00 0.00 61.98 59.83 2wa2 s VAL 185 Cb -0.48 -2.77 -0.08 0.00 0.00 0.00 0.00 36.38 33.05 2wa2 s VAL 185 CO 0.41 -0.67 1.66 0.25 0.00 0.00 0.00 175.10 176.75 2wa2 h LEU 186 N 7.30 0.29 -7.44 3.92 5.85 -1.84 -1.83 115.31 121.56 2wa2 h LEU 186 Ca -0.06 -0.14 -0.64 0.00 0.84 0.00 0.00 57.88 57.88 2wa2 h LEU 186 Cb 0.98 -0.08 -0.40 0.00 0.37 0.00 0.00 40.66 41.53 2wa2 h LEU 186 CO 0.58 0.36 -0.69 0.21 -0.34 0.00 0.00 178.44 178.56 2wa2 s ASN 187 N -5.60 4.40 0.00 1.25 3.84 -1.26 -3.48 114.94 114.09 2wa2 s ASN 187 Ca -0.13 -2.47 0.27 0.00 0.21 0.00 0.00 52.86 50.73 2wa2 s ASN 187 Cb 0.08 -1.49 0.81 0.00 -0.55 0.00 0.00 41.25 40.10 2wa2 s ASN 187 CO 0.71 -0.32 1.60 -0.81 -2.79 0.00 0.00 177.10 175.49 2wa2 n PRO 188 N 3.81 0.86 0.01 0.43 -0.04 -1.26 -4.22 135.00 134.59 2wa2 n PRO 188 Ca 0.04 -0.49 0.11 0.00 -0.04 0.00 0.00 63.50 63.12 2wa2 n PRO 188 Cb 0.37 -1.49 0.04 0.00 -0.04 0.00 0.00 33.50 32.38 2wa2 n PRO 188 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 2wa2 n TYR 189 N -0.64 0.13 -1.87 0.54 0.18 -1.26 -4.34 117.16 109.89 2wa2 n TYR 189 Ca 0.13 0.04 -0.41 0.00 1.88 0.00 0.00 57.90 59.53 2wa2 n TYR 189 Cb 0.34 -0.28 -0.01 0.00 -0.38 0.00 0.00 39.34 39.01 2wa2 n TYR 189 CO 0.00 0.00 0.00 0.45 -2.08 0.00 0.00 176.86 175.23 2wa2 s SER 190 N -3.49 6.47 0.17 9.48 0.15 -1.26 -2.56 113.70 122.66 2wa2 s SER 190 Ca 0.06 2.90 -0.14 0.00 0.70 0.00 0.00 55.95 59.47 2wa2 s SER 190 Cb 0.16 -2.65 0.12 0.00 -1.71 0.00 0.00 66.02 61.94 2wa2 s SER 190 CO 0.80 -0.81 1.78 0.00 1.20 0.00 0.00 173.24 176.20 2wa2 h ASP 192 N 0.45 0.94 -0.24 0.00 3.04 -1.99 -1.61 116.42 117.01 2wa2 h ASP 192 Ca 0.21 -0.02 -0.06 0.00 -3.24 0.00 0.00 57.03 53.92 2wa2 h ASP 192 Cb 0.13 -0.23 -0.01 0.00 -1.04 0.00 0.00 39.33 38.19 2wa2 h ASP 192 CO -0.16 0.67 -0.08 0.58 -2.04 0.00 0.00 179.24 178.21 2wa2 h VAL 193 N 1.10 1.29 -0.45 4.15 2.07 -1.75 -1.18 116.25 121.49 2wa2 h VAL 193 Ca 0.31 -1.12 0.05 0.00 0.82 0.00 0.00 66.70 66.77 2wa2 h VAL 193 Cb -0.08 1.53 -0.05 0.00 -1.52 0.00 0.00 31.29 31.17 2wa2 h VAL 193 CO -0.08 0.35 0.19 -0.07 0.02 0.00 0.00 177.57 177.98 2wa2 h LEU 194 N 0.21 0.24 -0.83 2.57 3.38 -0.52 0.71 115.31 121.06 2wa2 h LEU 194 Ca 0.06 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 2wa2 h LEU 194 Cb 0.56 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.28 2wa2 h LEU 194 CO 0.03 0.17 0.42 -0.33 0.09 0.00 0.00 178.44 178.83 2wa2 h GLU 195 N 0.38 1.17 -0.68 1.13 5.08 -1.26 -0.24 114.58 120.16 2wa2 h GLU 195 Ca 0.21 -0.15 0.03 0.00 -1.00 0.00 0.00 59.36 58.44 2wa2 h GLU 195 Cb 0.16 -0.22 -0.04 0.00 0.50 0.00 0.00 28.75 29.15 2wa2 h GLU 195 CO -0.18 0.88 0.42 0.00 -1.00 0.00 0.00 179.01 179.13 2wa2 h ALA 196 N 1.23 0.88 -0.48 3.43 0.00 -0.66 -1.76 119.26 121.90 2wa2 h ALA 196 Ca 0.29 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 55.04 2wa2 h ALA 196 Cb 0.07 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 2wa2 h ALA 196 CO -0.04 0.19 -0.22 -0.07 0.00 0.00 0.00 179.25 179.11 2wa2 h LEU 197 N 0.83 1.02 -0.98 0.00 3.38 -0.36 -1.45 115.31 117.76 2wa2 h LEU 197 Ca 0.27 -0.40 -0.03 0.00 0.09 0.00 0.00 57.88 57.81 2wa2 h LEU 197 Cb 0.02 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.45 2wa2 h LEU 197 CO -0.11 1.20 0.37 0.24 0.09 0.00 0.00 178.44 180.23 2wa2 h MET 198 N 0.85 1.10 -0.37 1.13 2.86 -0.93 0.99 114.93 120.55 2wa2 h MET 198 Ca 0.11 -0.15 -0.06 0.00 -2.06 0.00 0.00 59.70 57.54 2wa2 h MET 198 Cb 0.81 -0.20 -0.01 0.00 0.06 0.00 0.00 31.60 32.25 2wa2 h MET 198 CO 0.07 0.85 0.01 -0.22 1.06 0.00 0.00 176.91 178.68 2wa2 h LYS 199 N 1.09 0.65 -0.80 1.72 3.64 -1.07 0.08 116.57 121.88 2wa2 h LYS 199 Ca 0.27 -0.20 -0.01 0.00 -1.27 0.00 0.00 60.65 59.43 2wa2 h LYS 199 Cb 0.11 -0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 31.83 2wa2 h LYS 199 CO -0.03 0.75 0.46 0.52 -2.27 0.00 0.00 179.45 178.87 2wa2 h MET 200 N 0.48 1.11 -0.68 1.90 2.86 -0.89 -1.14 114.93 118.57 2wa2 h MET 200 Ca 0.11 -0.12 -0.08 0.00 -2.06 0.00 0.00 59.70 57.55 2wa2 h MET 200 Cb 0.45 -0.22 -0.03 0.00 0.06 0.00 0.00 31.60 31.86 2wa2 h MET 200 CO 0.02 0.81 0.12 0.37 1.06 0.00 0.00 176.91 179.28 2wa2 h GLN 201 N 1.11 1.12 -0.84 1.72 4.15 -0.61 0.25 115.11 122.00 2wa2 h GLN 201 Ca 0.28 -0.29 0.00 0.00 0.77 0.00 0.00 58.65 59.41 2wa2 h GLN 201 Cb 0.01 -0.13 -0.04 0.00 0.21 0.00 0.00 27.48 27.52 2wa2 h GLN 201 CO -0.05 1.02 0.54 0.00 -1.93 0.00 0.00 178.83 178.41 2wa2 h ALA 202 N 1.07 1.37 0.18 3.38 0.00 -0.64 0.14 119.26 124.76 2wa2 h ALA 202 Ca 0.21 -0.07 -0.34 0.00 0.00 0.00 0.00 54.91 54.71 2wa2 h ALA 202 Cb 0.43 -0.34 0.01 0.00 0.00 0.00 0.00 17.79 17.89 2wa2 h ALA 202 CO 0.01 0.57 -1.67 0.00 0.00 0.00 0.00 179.25 178.16 2wa2 h ARG 203 N 1.15 0.38 0.00 0.00 3.08 -0.81 -3.41 114.38 114.77 2wa2 h ARG 203 Ca 0.31 -0.66 0.00 0.00 0.07 0.00 0.00 59.98 59.70 2wa2 h ARG 203 Cb -0.11 0.24 0.00 0.00 0.08 0.00 0.00 29.97 30.19 2wa2 h ARG 203 CO -0.06 1.29 0.00 1.19 -1.07 0.00 0.00 179.97 181.32 2wa2 n PHE 204 N -3.58 0.00 -4.20 3.04 3.72 0.85 -5.09 117.46 112.20 2wa2 n PHE 204 Ca -0.22 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.18 2wa2 n PHE 204 Cb 1.07 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.61 2wa2 n PHE 204 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2wa2 n GLY 205 N 0.34 -0.39 6.47 1.37 0.00 0.48 -4.97 105.19 108.49 2wa2 n GLY 205 Ca 0.00 -1.08 0.00 0.00 0.00 0.00 0.00 46.02 44.94 2wa2 n GLY 205 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wa2 n GLY 206 N 0.00 -2.03 3.79 -0.02 0.00 -1.26 -4.19 105.19 101.48 2wa2 n GLY 206 Ca 0.00 -1.47 -0.06 0.00 0.00 0.00 0.00 46.02 44.49 2wa2 n GLY 206 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wa2 n GLY 207 N 0.00 0.81 3.08 -0.02 0.00 0.13 -3.92 105.19 105.26 2wa2 n GLY 207 Ca 0.00 -1.21 -0.29 0.00 0.00 0.00 0.00 46.02 44.52 2wa2 n GLY 207 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2wa2 s LEU 208 N 0.00 1.78 0.11 0.99 2.96 -1.26 -0.88 118.68 122.39 2wa2 s LEU 208 Ca 0.19 -0.45 0.07 0.00 -0.22 0.00 0.00 54.13 53.72 2wa2 s LEU 208 Cb -0.04 -1.13 -0.04 0.00 0.50 0.00 0.00 46.19 45.48 2wa2 s LEU 208 CO 0.09 0.03 -0.17 0.27 -1.32 0.00 0.00 176.35 175.25 2wa2 s ILE 209 N 0.91 1.47 -0.23 6.68 -4.36 -0.37 -4.86 121.20 120.43 2wa2 s ILE 209 Ca -0.08 -1.58 -0.09 0.00 -0.26 0.00 0.00 60.65 58.64 2wa2 s ILE 209 Cb -0.15 -1.46 -0.04 0.00 1.25 0.00 0.00 42.46 42.05 2wa2 s ILE 209 CO -0.01 -0.24 0.12 -0.60 0.24 0.00 0.00 174.94 174.45 2wa2 s ARG 210 N -2.20 3.92 -0.16 0.37 6.06 -1.26 -0.15 118.95 125.53 2wa2 s ARG 210 Ca 0.06 -0.35 -0.26 0.00 -2.50 0.00 0.00 55.73 52.68 2wa2 s ARG 210 Cb -0.08 -3.42 -0.01 0.00 0.06 0.00 0.00 34.95 31.49 2wa2 s ARG 210 CO 0.04 0.01 0.87 0.08 -2.50 0.00 0.00 175.30 173.79 2wa2 s VAL 211 N 1.15 4.86 -0.16 7.11 1.01 -1.26 -4.94 120.40 128.18 2wa2 s VAL 211 Ca 0.06 1.71 0.27 0.00 0.00 0.00 0.00 61.98 64.02 2wa2 s VAL 211 Cb -0.14 -4.17 0.29 0.00 0.00 0.00 0.00 36.38 32.36 2wa2 s VAL 211 CO 0.04 0.02 1.83 1.55 0.00 0.00 0.00 175.10 178.54 2wa2 h PRO 212 N 7.28 0.00 0.00 2.72 0.13 -1.98 -0.67 132.00 139.48 2wa2 h PRO 212 Ca -0.29 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.83 2wa2 h PRO 212 Cb 1.13 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.26 2wa2 h PRO 212 CO 0.84 0.00 -0.01 -0.07 -0.23 0.00 0.00 178.00 178.54 2wa2 h LEU 213 N 0.00 0.00 -9.97 1.56 3.38 -1.92 -2.87 115.31 105.49 2wa2 h LEU 213 Ca 0.00 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.43 2wa2 h LEU 213 Cb 0.24 0.00 0.10 0.00 0.09 0.00 0.00 40.66 41.09 2wa2 h LEU 213 CO 0.00 0.01 0.67 -0.44 0.09 0.00 0.00 178.44 178.77 2wa2 s SER 214 N -5.76 6.07 0.64 -0.43 0.01 -0.26 -4.77 113.70 109.20 2wa2 s SER 214 Ca 0.02 2.82 -0.14 0.00 1.31 0.00 0.00 55.95 59.96 2wa2 s SER 214 Cb 0.09 -2.65 -0.02 0.00 0.21 0.00 0.00 66.02 63.65 2wa2 s SER 214 CO 0.56 -1.03 1.06 -0.13 0.41 0.00 0.00 173.24 174.11 2wa2 s ARG 215 N -2.35 3.12 0.35 12.44 0.52 -1.26 -4.87 118.95 126.89 2wa2 s ARG 215 Ca 0.59 1.14 0.27 0.00 -0.52 0.00 0.00 55.73 57.21 2wa2 s ARG 215 Cb -0.42 -2.01 1.08 0.00 0.52 0.00 0.00 34.95 34.13 2wa2 s ARG 215 CO 0.54 -0.97 1.80 -0.91 0.02 0.00 0.00 175.30 175.78 2wa2 h ASN 216 N -0.01 0.00 0.00 0.23 2.35 -1.02 -2.44 115.58 114.70 2wa2 h ASN 216 Ca -0.46 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.29 2wa2 h ASN 216 Cb 1.22 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.59 2wa2 h ASN 216 CO 0.57 0.00 0.00 -1.54 -1.65 0.00 0.00 177.43 174.81 2wa2 n SER 217 N -2.52 0.00 -4.05 5.81 3.41 -1.26 -4.70 113.62 110.31 2wa2 n SER 217 Ca 0.02 -1.12 -0.19 0.00 -0.26 0.00 0.00 58.87 57.31 2wa2 n SER 217 Cb 0.27 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 64.07 2wa2 n SER 217 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2wa2 s THR 218 N -2.00 0.82 -1.13 6.66 -1.32 -0.92 -5.01 115.64 112.74 2wa2 s THR 218 Ca 0.38 -0.52 0.13 0.00 -1.21 0.00 0.00 61.69 60.47 2wa2 s THR 218 Cb 0.17 -0.70 0.55 0.00 -1.51 0.00 0.00 72.50 71.01 2wa2 s THR 218 CO 0.29 0.18 1.41 1.57 -2.21 0.00 0.00 174.62 175.86 2wa2 n HIS 219 N 2.68 1.18 -1.64 9.09 -0.00 -1.26 -4.73 115.22 120.53 2wa2 n HIS 219 Ca -0.14 -0.46 -0.46 0.00 0.46 0.00 0.00 57.72 57.12 2wa2 n HIS 219 Cb 0.56 -0.23 -0.03 0.00 -0.12 0.00 0.00 29.99 30.18 2wa2 n HIS 219 CO 0.00 0.00 0.00 -0.85 0.46 0.00 0.00 176.34 175.95 2wa2 n GLU 220 N 0.74 1.77 -4.35 1.57 0.28 -1.23 -4.54 120.64 114.88 2wa2 n GLU 220 Ca 0.19 0.63 -0.18 0.00 -0.16 0.00 0.00 57.16 57.65 2wa2 n GLU 220 Cb 0.73 -2.23 -0.10 0.00 1.43 0.00 0.00 31.44 31.27 2wa2 n GLU 220 CO 0.00 0.00 0.00 -1.64 -0.16 0.00 0.00 177.13 175.33 2wa2 s MET 221 N -0.45 1.43 -0.15 3.44 -1.94 -0.69 -4.71 119.30 116.24 2wa2 s MET 221 Ca 0.69 -1.76 0.02 0.00 -1.71 0.00 0.00 55.69 52.93 2wa2 s MET 221 Cb -0.71 -0.52 0.02 0.00 2.01 0.00 0.00 34.83 35.63 2wa2 s MET 221 CO 0.51 -0.20 -0.19 0.71 -0.01 0.00 0.00 175.02 175.84 2wa2 s TYR 222 N -3.53 2.52 -0.31 -0.03 2.02 0.78 0.36 117.35 119.16 2wa2 s TYR 222 Ca 0.34 -1.35 -0.23 0.00 -0.37 0.00 0.00 57.07 55.46 2wa2 s TYR 222 Cb 0.07 -1.75 -0.00 0.00 -0.40 0.00 0.00 41.96 39.88 2wa2 s TYR 222 CO 0.12 -0.66 0.76 0.12 -1.57 0.00 0.00 175.55 174.32 2wa2 s PHE 223 N 1.07 3.19 0.07 2.71 5.36 0.88 -1.23 117.98 130.03 2wa2 s PHE 223 Ca -0.02 0.73 0.06 0.00 -0.96 0.00 0.00 56.93 56.74 2wa2 s PHE 223 Cb -0.14 -3.20 -0.03 0.00 -0.34 0.00 0.00 43.02 39.31 2wa2 s PHE 223 CO -0.06 -0.57 -0.15 0.14 -1.46 0.00 0.00 175.22 173.11 2wa2 s VAL 224 N 2.91 1.23 -0.06 3.12 -7.23 -0.05 -0.71 120.40 119.61 2wa2 s VAL 224 Ca 0.31 -1.29 0.12 0.00 -1.81 0.00 0.00 61.98 59.30 2wa2 s VAL 224 Cb -0.14 -1.15 -0.04 0.00 0.56 0.00 0.00 36.38 35.60 2wa2 s VAL 224 CO 0.13 -0.15 1.36 0.77 -0.31 0.00 0.00 175.10 176.90 2wa2 h SER 225 N 4.37 0.00 1.63 4.85 4.64 -1.27 -0.36 113.55 127.41 2wa2 h SER 225 Ca -0.41 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 60.88 2wa2 h SER 225 Cb 1.19 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.27 2wa2 h SER 225 CO 0.41 0.69 -0.37 1.23 -0.87 0.00 0.00 176.83 177.91 2wa2 h GLY 226 N 3.33 0.00 -5.47 -0.77 0.00 -0.60 -3.37 103.07 96.18 2wa2 h GLY 226 Ca -0.01 0.00 -0.68 0.00 0.00 0.00 0.00 47.33 46.64 2wa2 h GLY 226 CO 0.09 0.00 -0.86 -0.42 0.00 0.00 0.00 176.54 175.35 2wa2 s ILE 227 N -3.20 2.23 -0.32 2.60 1.01 -1.26 -4.77 121.20 117.50 2wa2 s ILE 227 Ca 0.04 -0.95 -0.05 0.00 0.00 0.00 0.00 60.65 59.69 2wa2 s ILE 227 Cb 0.07 -1.88 0.04 0.00 0.01 0.00 0.00 42.46 40.70 2wa2 s ILE 227 CO 0.72 0.55 0.08 -0.54 0.00 0.00 0.00 174.94 175.74 2wa2 s LYS 228 N 0.44 2.66 0.29 2.79 1.02 -1.26 -0.70 119.74 124.99 2wa2 s LYS 228 Ca -0.15 -1.14 0.05 0.00 0.02 0.00 0.00 55.97 54.75 2wa2 s LYS 228 Cb -0.17 -3.38 -0.02 0.00 -0.52 0.00 0.00 37.83 33.74 2wa2 s LYS 228 CO 0.06 -0.62 0.28 0.27 -0.92 0.00 0.00 175.35 174.43 2wa2 n ASN 229 N 4.78 -0.73 -4.49 2.83 0.23 -1.25 -4.95 115.26 111.68 2wa2 n ASN 229 Ca -0.13 -2.87 -0.43 0.00 -0.53 0.00 0.00 54.58 50.62 2wa2 n ASN 229 Cb 0.45 1.61 -0.03 0.00 -2.08 0.00 0.00 39.78 39.73 2wa2 n ASN 229 CO 0.00 0.00 0.00 0.21 -0.93 0.00 0.00 177.26 176.54 2wa2 s ASN 230 N -3.02 6.35 0.10 0.53 2.47 -1.26 -4.77 114.94 115.35 2wa2 s ASN 230 Ca 0.33 -1.27 -0.32 0.00 0.42 0.00 0.00 52.86 52.03 2wa2 s ASN 230 Cb 0.01 -2.46 -0.12 0.00 -1.45 0.00 0.00 41.25 37.23 2wa2 s ASN 230 CO 0.24 -1.42 1.59 0.40 -3.72 0.00 0.00 177.10 174.19 2wa2 h ILE 231 N 6.10 0.18 -0.64 -5.21 2.04 -1.96 -1.36 117.51 116.65 2wa2 h ILE 231 Ca -0.08 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.79 2wa2 h ILE 231 Cb 1.04 0.18 -0.03 0.00 -0.74 0.00 0.00 36.82 37.27 2wa2 h ILE 231 CO 1.22 0.00 0.42 0.24 0.00 0.00 0.00 178.15 180.04 2wa2 h MET 232 N -0.73 0.83 -0.82 2.37 2.86 -1.96 -0.42 114.93 117.06 2wa2 h MET 232 Ca -0.01 -0.05 -0.02 0.00 -2.06 0.00 0.00 59.70 57.57 2wa2 h MET 232 Cb 0.70 -0.19 -0.04 0.00 0.06 0.00 0.00 31.60 32.14 2wa2 h MET 232 CO -0.15 0.55 0.44 0.78 1.06 0.00 0.00 176.91 179.59 2wa2 h GLY 233 N 0.86 1.23 1.01 8.32 0.00 -1.97 -1.46 103.07 111.05 2wa2 h GLY 233 Ca 0.24 -0.56 -0.08 0.00 0.00 0.00 0.00 47.33 46.92 2wa2 h GLY 233 CO -0.06 0.54 -0.02 3.43 0.00 0.00 0.00 176.54 180.43 2wa2 h ASN 234 N 1.14 0.85 -0.32 0.19 4.21 -0.59 -1.21 115.58 119.85 2wa2 h ASN 234 Ca 0.29 -0.32 0.01 0.00 1.21 0.00 0.00 56.30 57.48 2wa2 h ASN 234 Cb 0.04 -0.23 -0.02 0.00 -1.12 0.00 0.00 38.32 37.00 2wa2 h ASN 234 CO -0.04 0.96 0.20 0.58 -1.29 0.00 0.00 177.43 177.84 2wa2 h VAL 235 N 0.71 1.07 -0.71 2.81 2.07 -0.82 -1.61 116.25 119.77 2wa2 h VAL 235 Ca 0.13 -0.14 -0.05 0.00 0.82 0.00 0.00 66.70 67.46 2wa2 h VAL 235 Cb 0.54 0.62 -0.03 0.00 -1.52 0.00 0.00 31.29 30.90 2wa2 h VAL 235 CO 0.03 0.08 0.25 0.74 0.02 0.00 0.00 177.57 178.69 2wa2 h THR 236 N 0.42 1.25 -0.68 2.57 2.02 -1.16 -0.64 112.91 116.69 2wa2 h THR 236 Ca 0.12 -0.82 -0.06 0.00 0.77 0.00 0.00 66.41 66.42 2wa2 h THR 236 Cb -0.04 0.44 -0.03 0.00 -1.74 0.00 0.00 68.15 66.78 2wa2 h THR 236 CO -0.03 0.33 0.19 0.00 0.37 0.00 0.00 175.52 176.37 2wa2 h ALA 237 N 1.23 1.05 -0.27 6.16 0.00 -0.93 -0.61 119.26 125.90 2wa2 h ALA 237 Ca 0.23 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 2wa2 h ALA 237 Cb 0.25 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 2wa2 h ALA 237 CO -0.01 0.63 -0.01 0.28 0.00 0.00 0.00 179.25 180.14 2wa2 h VAL 238 N 1.01 1.26 -0.45 0.00 2.07 -0.75 -0.68 116.25 118.71 2wa2 h VAL 238 Ca 0.22 -0.94 0.07 0.00 0.82 0.00 0.00 66.70 66.87 2wa2 h VAL 238 Cb 0.32 1.35 -0.06 0.00 -1.52 0.00 0.00 31.29 31.38 2wa2 h VAL 238 CO -0.00 0.30 0.12 0.28 0.02 0.00 0.00 177.57 178.28 2wa2 h SER 239 N 0.25 0.06 -0.56 0.57 0.02 -0.76 0.31 113.55 113.45 2wa2 h SER 239 Ca 0.07 0.07 -0.09 0.00 -0.84 0.00 0.00 61.79 61.00 2wa2 h SER 239 Cb 0.44 0.08 -0.02 0.00 0.14 0.00 0.00 62.40 63.04 2wa2 h SER 239 CO 0.02 0.07 0.00 0.03 -1.14 0.00 0.00 176.83 175.81 2wa2 h ARG 240 N 0.26 1.01 -0.11 3.45 3.08 -0.99 -0.86 114.38 120.21 2wa2 h ARG 240 Ca 0.22 -0.31 -0.00 0.00 0.07 0.00 0.00 59.98 59.96 2wa2 h ARG 240 Cb 0.26 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.21 2wa2 h ARG 240 CO -0.27 0.99 0.07 0.37 -1.07 0.00 0.00 179.97 180.06 2wa2 h GLN 241 N 0.93 0.15 -0.31 0.04 4.15 -0.70 -1.29 115.11 118.08 2wa2 h GLN 241 Ca 0.17 -0.02 -0.08 0.00 0.77 0.00 0.00 58.65 59.49 2wa2 h GLN 241 Cb 0.53 -0.03 -0.02 0.00 0.21 0.00 0.00 27.48 28.17 2wa2 h GLN 241 CO 0.03 0.16 -0.17 -0.07 -1.93 0.00 0.00 178.83 176.85 2wa2 h LEU 242 N 0.11 0.54 -0.14 -2.39 3.38 -0.77 -1.28 115.31 114.76 2wa2 h LEU 242 Ca 0.04 -0.16 -0.03 0.00 0.09 0.00 0.00 57.88 57.82 2wa2 h LEU 242 Cb 0.05 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.65 2wa2 h LEU 242 CO -0.01 0.73 -0.02 -0.07 0.09 0.00 0.00 178.44 179.16 2wa2 h LEU 243 N 0.50 0.26 -0.79 1.67 3.38 -1.06 -2.83 115.31 116.45 2wa2 h LEU 243 Ca 0.08 -0.35 0.08 0.00 0.09 0.00 0.00 57.88 57.79 2wa2 h LEU 243 Cb 0.57 -0.07 -0.07 0.00 0.09 0.00 0.00 40.66 41.18 2wa2 h LEU 243 CO 0.04 0.55 0.44 0.50 0.09 0.00 0.00 178.44 180.06 2wa2 h LYS 244 N -0.03 0.74 0.00 1.13 3.64 -1.12 -0.89 116.57 120.05 2wa2 h LYS 244 Ca 0.04 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.36 2wa2 h LYS 244 Cb 0.43 -0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 32.08 2wa2 h LYS 244 CO 0.01 0.49 -0.06 0.00 -2.27 0.00 0.00 179.45 177.63 2wa2 h ARG 245 N 0.77 0.00 0.00 1.90 3.08 -1.14 -1.81 114.38 117.17 2wa2 h ARG 245 Ca 0.37 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.38 2wa2 h ARG 245 Cb 0.31 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.35 2wa2 h ARG 245 CO -0.23 0.06 -0.57 1.98 -1.07 0.00 0.00 179.97 180.14 2wa2 h MET 246 N 0.00 0.00 0.00 0.04 4.05 -0.92 -3.50 114.93 114.60 2wa2 h MET 246 Ca -0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 2wa2 h MET 246 Cb 0.21 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.01 2wa2 h MET 246 CO 0.01 0.12 0.00 0.39 0.23 0.00 0.00 176.91 177.66