#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wv0 s ASN 2 N 0.00 3.67 -0.08 7.83 2.20 -1.26 -5.07 114.94 122.23 2wv0 s ASN 2 Ca 0.00 -0.58 0.02 0.00 -0.94 0.00 0.00 52.86 51.36 2wv0 s ASN 2 Cb 0.00 -0.46 0.01 0.00 -2.00 0.00 0.00 41.25 38.81 2wv0 s ASN 2 CO 0.00 0.20 -0.14 -0.63 -2.94 0.00 0.00 177.10 173.59 2wv0 s ILE 3 N -1.05 1.30 -0.41 0.54 -1.09 -1.26 -4.96 121.20 114.26 2wv0 s ILE 3 Ca 0.16 -0.56 -0.08 0.00 -2.23 0.00 0.00 60.65 57.93 2wv0 s ILE 3 Cb -0.10 -1.18 0.08 0.00 -1.58 0.00 0.00 42.46 39.67 2wv0 s ILE 3 CO 0.08 0.39 0.24 0.21 -1.23 0.00 0.00 174.94 174.63 2wv0 s ASN 4 N 0.73 5.57 0.34 3.58 3.84 -1.26 -4.96 114.94 122.79 2wv0 s ASN 4 Ca -0.13 -1.52 0.16 0.00 0.21 0.00 0.00 52.86 51.58 2wv0 s ASN 4 Cb -0.16 -1.96 0.55 0.00 -0.55 0.00 0.00 41.25 39.13 2wv0 s ASN 4 CO 0.03 -0.52 1.68 0.11 -2.79 0.00 0.00 177.10 175.61 2wv0 h LYS 5 N 8.36 0.00 0.00 0.43 1.57 -1.99 -2.98 116.57 121.96 2wv0 h LYS 5 Ca -0.22 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.56 2wv0 h LYS 5 Cb 1.08 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.39 2wv0 h LYS 5 CO 0.74 0.46 0.00 1.04 -0.57 0.00 0.00 179.45 181.12 2wv0 n GLN 6 N -3.60 0.25 -2.64 3.15 3.00 -1.26 -4.86 117.38 111.42 2wv0 n GLN 6 Ca -0.00 0.03 -0.38 0.00 -0.01 0.00 0.00 57.00 56.64 2wv0 n GLN 6 Cb 0.55 -1.50 -0.05 0.00 0.00 0.00 0.00 30.24 29.24 2wv0 n GLN 6 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 2wv0 s SER 7 N -2.73 7.15 0.60 1.08 0.15 -1.13 -4.95 113.70 113.88 2wv0 s SER 7 Ca 0.21 1.99 0.31 0.00 0.70 0.00 0.00 55.95 59.17 2wv0 s SER 7 Cb 0.18 -2.59 1.86 0.00 -1.71 0.00 0.00 66.02 63.76 2wv0 s SER 7 CO 0.45 -0.21 2.23 1.55 1.20 0.00 0.00 173.24 178.46 2wv0 h PRO 8 N 3.14 0.00 -6.31 5.44 0.13 -1.90 -3.42 132.00 129.08 2wv0 h PRO 8 Ca -0.47 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.11 2wv0 h PRO 8 Cb 1.20 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 2wv0 h PRO 8 CO 0.65 0.00 0.97 0.42 -0.23 0.00 0.00 178.00 179.81 2wv0 s ILE 9 N -4.57 3.63 0.43 -3.56 1.01 -1.26 -4.96 121.20 111.92 2wv0 s ILE 9 Ca -0.05 0.90 -0.24 0.00 0.00 0.00 0.00 60.65 61.26 2wv0 s ILE 9 Cb 0.15 -3.58 -0.10 0.00 0.01 0.00 0.00 42.46 38.94 2wv0 s ILE 9 CO 0.53 -0.04 1.03 -2.65 0.00 0.00 0.00 174.94 173.80 2wv0 n PRO 10 N 6.30 1.38 0.02 2.79 -0.02 -1.26 -4.81 135.00 139.40 2wv0 n PRO 10 Ca 0.15 0.49 -0.11 0.00 -2.02 0.00 0.00 63.50 62.02 2wv0 n PRO 10 Cb 0.43 -2.08 -0.05 0.00 -0.02 0.00 0.00 33.50 31.78 2wv0 n PRO 10 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 2wv0 h ILE 11 N 1.53 0.87 -0.27 4.25 2.04 -1.92 -1.42 117.51 122.60 2wv0 h ILE 11 Ca -0.45 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.49 2wv0 h ILE 11 Cb 1.34 0.87 -0.01 0.00 -0.74 0.00 0.00 36.82 38.28 2wv0 h ILE 11 CO 0.57 0.00 0.20 0.10 0.00 0.00 0.00 178.15 179.02 2wv0 h TYR 12 N -0.05 0.00 -0.15 1.37 -0.00 -1.92 -0.15 116.97 116.08 2wv0 h TYR 12 Ca 0.04 0.00 -0.18 0.00 0.00 0.00 0.00 58.73 58.59 2wv0 h TYR 12 Cb 0.10 0.00 0.01 0.00 0.00 0.00 0.00 36.73 36.84 2wv0 h TYR 12 CO -0.14 0.00 -0.60 -0.92 -0.00 0.00 0.00 178.16 176.51 2wv0 h TYR 13 N 0.00 0.88 -0.25 0.10 3.20 -1.66 -1.16 116.97 118.08 2wv0 h TYR 13 Ca 0.13 -0.38 -0.02 0.00 3.14 0.00 0.00 58.73 61.60 2wv0 h TYR 13 Cb 0.53 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.65 2wv0 h TYR 13 CO 0.00 1.18 0.05 1.96 -1.64 0.00 0.00 178.16 179.71 2wv0 h GLN 14 N 0.33 0.35 0.05 1.82 4.20 -0.15 -2.12 115.11 119.59 2wv0 h GLN 14 Ca -0.03 -0.05 -0.00 0.00 0.06 0.00 0.00 58.65 58.63 2wv0 h GLN 14 Cb 1.23 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.94 2wv0 h GLN 14 CO 0.12 0.34 -0.02 0.82 -0.67 0.00 0.00 178.83 179.42 2wv0 h ILE 15 N 0.35 1.31 -0.67 2.54 2.04 -1.03 -3.00 117.51 119.05 2wv0 h ILE 15 Ca 0.08 -1.50 0.13 0.00 1.00 0.00 0.00 64.86 64.58 2wv0 h ILE 15 Cb 0.15 2.26 -0.13 0.00 -0.74 0.00 0.00 36.82 38.36 2wv0 h ILE 15 CO -0.00 0.36 -0.18 0.24 0.00 0.00 0.00 178.15 178.57 2wv0 h MET 16 N -0.77 -0.01 0.00 2.37 2.86 -1.00 -1.44 114.93 116.95 2wv0 h MET 16 Ca -0.01 0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 57.54 2wv0 h MET 16 Cb 0.64 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.29 2wv0 h MET 16 CO 0.01 -0.01 -0.45 0.93 1.06 0.00 0.00 176.91 178.45 2wv0 h GLU 17 N -0.01 0.00 0.00 1.72 4.39 -1.47 -1.19 114.58 118.03 2wv0 h GLU 17 Ca 0.32 0.00 -0.14 0.00 0.34 0.00 0.00 59.36 59.88 2wv0 h GLU 17 Cb 0.49 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.12 2wv0 h GLU 17 CO -0.69 0.45 -0.92 1.96 -1.16 0.00 0.00 179.01 178.65 2wv0 h GLN 18 N 0.00 0.00 -0.30 2.33 4.20 -1.25 -2.55 115.11 117.55 2wv0 h GLN 18 Ca -0.00 0.00 -0.12 0.00 0.06 0.00 0.00 58.65 58.58 2wv0 h GLN 18 Cb 0.90 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.67 2wv0 h GLN 18 CO 0.06 0.46 -0.29 -0.07 -0.67 0.00 0.00 178.83 178.33 2wv0 h LEU 19 N 0.00 0.77 -1.05 1.46 3.38 -1.08 -1.74 115.31 117.05 2wv0 h LEU 19 Ca -0.07 -0.47 0.08 0.00 0.09 0.00 0.00 57.88 57.52 2wv0 h LEU 19 Cb 1.51 -0.22 -0.07 0.00 0.09 0.00 0.00 40.66 41.97 2wv0 h LEU 19 CO 0.06 1.08 0.63 0.11 0.09 0.00 0.00 178.44 180.41 2wv0 h LYS 20 N 0.47 1.04 -0.14 1.13 1.57 -1.22 -1.75 116.57 117.67 2wv0 h LYS 20 Ca 0.05 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 58.74 2wv0 h LYS 20 Cb 0.86 -0.24 -0.00 0.00 0.08 0.00 0.00 32.23 32.93 2wv0 h LYS 20 CO 0.07 0.69 -0.01 1.15 -0.57 0.00 0.00 179.45 180.78 2wv0 h THR 21 N 1.07 1.27 -0.74 -0.16 2.02 -1.36 -1.18 112.91 113.83 2wv0 h THR 21 Ca 0.44 -0.88 0.14 0.00 0.77 0.00 0.00 66.41 66.87 2wv0 h THR 21 Cb 0.29 1.58 -0.09 0.00 -1.74 0.00 0.00 68.15 68.19 2wv0 h THR 21 CO -0.20 0.26 0.29 1.56 0.37 0.00 0.00 175.52 177.81 2wv0 h GLN 22 N -0.03 0.43 0.32 6.66 4.20 -0.93 -1.99 115.11 123.78 2wv0 h GLN 22 Ca 0.04 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.71 2wv0 h GLN 22 Cb 0.40 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.09 2wv0 h GLN 22 CO 0.01 0.28 -0.15 0.82 -0.67 0.00 0.00 178.83 179.12 2wv0 h ILE 23 N 0.44 0.71 -0.20 2.54 2.04 -1.25 0.38 117.51 122.17 2wv0 h ILE 23 Ca 0.40 -0.38 0.06 0.00 1.00 0.00 0.00 64.86 65.94 2wv0 h ILE 23 Cb 0.59 0.91 -0.01 0.00 -0.74 0.00 0.00 36.82 37.57 2wv0 h ILE 23 CO -0.39 0.08 0.36 0.11 0.00 0.00 0.00 178.15 178.30 2wv0 h LYS 24 N -0.63 0.00 -0.10 2.37 1.57 -0.62 0.56 116.57 119.71 2wv0 h LYS 24 Ca -0.04 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 2wv0 h LYS 24 Cb 0.45 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.76 2wv0 h LYS 24 CO 0.07 0.00 0.00 0.27 -0.57 0.00 0.00 179.45 179.22 2wv0 n ASN 25 N -3.36 2.08 -1.35 0.86 2.04 -0.80 -5.01 115.26 109.71 2wv0 n ASN 25 Ca 0.02 -1.59 -0.09 0.00 -0.44 0.00 0.00 54.58 52.49 2wv0 n ASN 25 Cb 0.47 -0.06 0.01 0.00 -2.53 0.00 0.00 39.78 37.67 2wv0 n ASN 25 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 2wv0 n GLY 26 N 0.42 0.20 0.16 4.83 0.00 0.19 -4.89 105.19 106.09 2wv0 n GLY 26 Ca 0.06 -0.42 0.12 0.00 0.00 0.00 0.00 46.02 45.79 2wv0 n GLY 26 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2wv0 h GLU 27 N -0.56 0.00 -4.97 1.61 5.08 -0.53 -3.41 114.58 111.81 2wv0 h GLU 27 Ca -0.21 0.00 -0.65 0.00 -1.00 0.00 0.00 59.36 57.49 2wv0 h GLU 27 Cb 1.15 0.00 -0.35 0.00 0.50 0.00 0.00 28.75 30.05 2wv0 h GLU 27 CO 0.23 0.00 -0.85 -0.51 -1.00 0.00 0.00 179.01 176.87 2wv0 s LEU 28 N -5.57 2.02 0.20 1.33 1.43 -0.91 -4.95 118.68 112.23 2wv0 s LEU 28 Ca 0.05 -0.61 -0.15 0.00 -1.03 0.00 0.00 54.13 52.39 2wv0 s LEU 28 Cb 0.08 -1.40 -0.08 0.00 0.03 0.00 0.00 46.19 44.82 2wv0 s LEU 28 CO 0.71 -0.01 0.62 -1.10 0.23 0.00 0.00 176.35 176.79 2wv0 s GLN 29 N 1.32 4.02 0.29 1.70 -1.52 -1.26 -4.45 119.66 119.75 2wv0 s GLN 29 Ca 0.04 0.57 -0.30 0.00 -1.95 0.00 0.00 55.36 53.72 2wv0 s GLN 29 Cb -0.13 -2.80 -0.13 0.00 -0.22 0.00 0.00 33.01 29.73 2wv0 s GLN 29 CO -0.12 0.39 1.36 -2.30 -0.25 0.00 0.00 175.29 174.37 2wv0 n PRO 30 N 0.46 2.11 -0.97 2.91 -0.02 -1.26 -2.11 135.00 136.12 2wv0 n PRO 30 Ca -0.02 0.75 0.00 0.00 -2.02 0.00 0.00 63.50 62.20 2wv0 n PRO 30 Cb 0.52 -2.37 0.00 0.00 -0.02 0.00 0.00 33.50 31.63 2wv0 n PRO 30 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2wv0 n ASP 31 N 1.53 -3.96 -4.81 2.55 8.00 0.16 -4.94 116.55 115.08 2wv0 n ASP 31 Ca 0.08 0.00 -0.38 0.00 0.71 0.00 0.00 54.79 55.21 2wv0 n ASP 31 Cb 0.34 -1.91 -0.06 0.00 -0.02 0.00 0.00 41.12 39.46 2wv0 n ASP 31 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 2wv0 s MET 32 N -0.94 3.96 0.48 -1.24 -1.94 -0.90 -4.80 119.30 113.93 2wv0 s MET 32 Ca 0.00 0.31 -0.24 0.00 -1.71 0.00 0.00 55.69 54.05 2wv0 s MET 32 Cb 0.00 -3.27 -0.08 0.00 2.01 0.00 0.00 34.83 33.49 2wv0 s MET 32 CO 0.00 0.57 1.33 -0.35 -0.01 0.00 0.00 175.02 176.57 2wv0 n PRO 33 N 2.30 1.91 -2.81 2.03 -0.04 -1.26 -2.69 135.00 134.43 2wv0 n PRO 33 Ca -0.14 0.69 -0.23 0.00 -0.04 0.00 0.00 63.50 63.79 2wv0 n PRO 33 Cb 0.52 -2.51 0.02 0.00 -0.04 0.00 0.00 33.50 31.50 2wv0 n PRO 33 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2wv0 s LEU 34 N -2.56 3.48 0.75 1.53 1.02 0.14 -4.93 118.68 118.11 2wv0 s LEU 34 Ca 0.65 0.21 -0.15 0.00 0.02 0.00 0.00 54.13 54.86 2wv0 s LEU 34 Cb -0.46 -3.08 0.03 0.00 0.02 0.00 0.00 46.19 42.71 2wv0 s LEU 34 CO 0.55 -0.89 1.08 -2.65 0.02 0.00 0.00 176.35 174.45 2wv0 n PRO 35 N -2.22 0.43 -1.59 1.29 -0.02 -1.26 -4.71 135.00 126.93 2wv0 n PRO 35 Ca 0.04 0.21 -0.30 0.00 -2.02 0.00 0.00 63.50 61.43 2wv0 n PRO 35 Cb 0.58 -2.33 0.19 0.00 -0.02 0.00 0.00 33.50 31.92 2wv0 n PRO 35 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 2wv0 s SER 36 N -1.80 2.61 0.14 2.55 0.01 -1.26 -4.81 113.70 111.14 2wv0 s SER 36 Ca 0.74 0.55 -0.18 0.00 1.31 0.00 0.00 55.95 58.38 2wv0 s SER 36 Cb -0.32 -0.80 0.01 0.00 0.21 0.00 0.00 66.02 65.12 2wv0 s SER 36 CO 0.50 -3.07 1.77 -0.33 0.41 0.00 0.00 173.24 172.52 2wv0 h GLU 37 N -1.86 0.29 -0.69 12.44 5.08 -1.95 -2.68 114.58 125.20 2wv0 h GLU 37 Ca -0.46 -0.02 0.04 0.00 -1.00 0.00 0.00 59.36 57.93 2wv0 h GLU 37 Cb 1.28 -0.06 -0.05 0.00 0.50 0.00 0.00 28.75 30.41 2wv0 h GLU 37 CO 0.44 0.19 0.41 0.00 -1.00 0.00 0.00 179.01 179.05 2wv0 h ARG 38 N 0.29 0.76 -0.01 2.33 3.08 -1.94 0.34 114.38 119.23 2wv0 h ARG 38 Ca 0.13 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 60.13 2wv0 h ARG 38 Cb 0.06 -0.17 -0.00 0.00 0.08 0.00 0.00 29.97 29.93 2wv0 h ARG 38 CO -0.10 0.51 0.00 0.93 -1.07 0.00 0.00 179.97 180.24 2wv0 h GLU 39 N 0.79 0.02 -0.19 0.04 5.08 -1.92 -0.05 114.58 118.35 2wv0 h GLU 39 Ca 0.29 -0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.64 2wv0 h GLU 39 Cb 0.10 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 2wv0 h GLU 39 CO -0.14 0.20 0.10 1.88 -1.00 0.00 0.00 179.01 180.05 2wv0 h TYR 40 N -0.16 0.27 -0.59 4.33 0.05 -1.29 0.19 116.97 119.77 2wv0 h TYR 40 Ca 0.00 -0.01 0.12 0.00 0.05 0.00 0.00 58.73 58.90 2wv0 h TYR 40 Cb 0.19 -0.09 -0.10 0.00 1.01 0.00 0.00 36.73 37.75 2wv0 h TYR 40 CO -0.01 0.26 -0.01 0.00 -1.05 0.00 0.00 178.16 177.35 2wv0 h ALA 41 N 0.98 0.56 -0.27 3.88 0.00 -0.26 -1.20 119.26 122.95 2wv0 h ALA 41 Ca 0.07 0.18 -0.11 0.00 0.00 0.00 0.00 54.91 55.05 2wv0 h ALA 41 Cb 0.09 0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 2wv0 h ALA 41 CO -0.01 -0.40 -0.31 1.05 0.00 0.00 0.00 179.25 179.59 2wv0 h GLU 42 N 0.11 0.55 -0.80 0.00 -0.00 -0.83 -0.94 114.58 112.66 2wv0 h GLU 42 Ca 0.30 -0.24 -0.03 0.00 -0.00 0.00 0.00 59.36 59.40 2wv0 h GLU 42 Cb 0.48 -0.02 -0.04 0.00 -0.00 0.00 0.00 28.75 29.18 2wv0 h GLU 42 CO -0.51 0.79 0.38 0.37 -0.00 0.00 0.00 179.01 180.05 2wv0 h GLN 43 N 0.47 1.15 0.00 1.06 4.15 0.22 -3.20 115.11 118.97 2wv0 h GLN 43 Ca 0.06 -0.16 0.00 0.00 0.77 0.00 0.00 58.65 59.31 2wv0 h GLN 43 Cb 0.77 -0.21 0.00 0.00 0.21 0.00 0.00 27.48 28.25 2wv0 h GLN 43 CO 0.06 0.88 -0.97 1.19 -1.93 0.00 0.00 178.83 178.06 2wv0 n PHE 44 N -4.31 0.00 -2.78 3.99 3.72 -0.80 -5.01 117.46 112.27 2wv0 n PHE 44 Ca 0.08 0.00 -0.08 0.00 -0.05 0.00 0.00 57.45 57.39 2wv0 n PHE 44 Cb 0.14 -0.08 0.03 0.00 -0.94 0.00 0.00 39.48 38.63 2wv0 n PHE 44 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2wv0 n GLY 45 N 1.42 0.25 3.37 1.37 0.00 -0.45 -5.05 105.19 106.10 2wv0 n GLY 45 Ca 0.02 -0.28 -0.19 0.00 0.00 0.00 0.00 46.02 45.57 2wv0 n GLY 45 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2wv0 s ILE 46 N -3.14 0.73 0.49 -0.61 -4.36 -0.63 -5.05 121.20 108.64 2wv0 s ILE 46 Ca 0.13 -2.00 -0.22 0.00 -0.26 0.00 0.00 60.65 58.30 2wv0 s ILE 46 Cb -0.06 -2.66 -0.08 0.00 1.25 0.00 0.00 42.46 40.92 2wv0 s ILE 46 CO 0.29 0.00 1.05 -0.24 0.24 0.00 0.00 174.94 176.28 2wv0 n SER 47 N -0.63 1.36 0.07 4.36 2.88 -1.26 -4.62 113.62 115.78 2wv0 n SER 47 Ca -0.01 0.96 -0.05 0.00 -1.33 0.00 0.00 58.87 58.44 2wv0 n SER 47 Cb 0.66 -1.40 0.13 0.00 -0.75 0.00 0.00 64.21 62.85 2wv0 n SER 47 CO 0.00 0.00 0.00 0.08 -1.23 0.00 0.00 175.04 173.89 2wv0 h ARG 48 N 1.24 0.29 0.00 -1.46 -0.00 -1.93 -3.04 114.38 109.47 2wv0 h ARG 48 Ca -0.47 -0.18 -0.03 0.00 -0.00 0.00 0.00 59.98 59.30 2wv0 h ARG 48 Cb 1.34 0.02 -0.00 0.00 -0.00 0.00 0.00 29.97 31.33 2wv0 h ARG 48 CO 0.55 0.77 -0.13 0.52 -0.00 0.00 0.00 179.97 181.68 2wv0 h MET 49 N 0.22 0.00 -0.01 0.08 2.86 -1.96 -1.04 114.93 115.08 2wv0 h MET 49 Ca 0.00 0.00 -0.24 0.00 -2.06 0.00 0.00 59.70 57.40 2wv0 h MET 49 Cb 1.05 0.00 0.02 0.00 0.06 0.00 0.00 31.60 32.73 2wv0 h MET 49 CO 0.09 0.13 -0.92 1.15 1.06 0.00 0.00 176.91 178.42 2wv0 h THR 50 N 0.00 1.31 -0.15 2.22 2.02 -1.91 -1.88 112.91 114.52 2wv0 h THR 50 Ca -0.00 -2.18 -0.01 0.00 0.77 0.00 0.00 66.41 64.99 2wv0 h THR 50 Cb 0.44 2.41 -0.01 0.00 -1.74 0.00 0.00 68.15 69.26 2wv0 h THR 50 CO 0.02 0.67 0.06 0.58 0.37 0.00 0.00 175.52 177.22 2wv0 h VAL 51 N 0.28 1.15 -0.78 3.16 2.07 -1.47 -2.46 116.25 118.20 2wv0 h VAL 51 Ca -0.11 -0.45 0.12 0.00 0.82 0.00 0.00 66.70 67.08 2wv0 h VAL 51 Cb 1.59 1.16 -0.08 0.00 -1.52 0.00 0.00 31.29 32.43 2wv0 h VAL 51 CO 0.18 0.14 0.39 0.03 0.02 0.00 0.00 177.57 178.33 2wv0 h ARG 52 N 0.10 0.58 -0.76 1.57 -0.00 -1.25 -0.19 114.38 114.43 2wv0 h ARG 52 Ca 0.05 -0.03 -0.02 0.00 -0.50 0.00 0.00 59.98 59.48 2wv0 h ARG 52 Cb 0.16 -0.13 -0.04 0.00 0.00 0.00 0.00 29.97 29.96 2wv0 h ARG 52 CO -0.00 0.38 0.41 0.37 0.00 0.00 0.00 179.97 181.13 2wv0 h GLN 53 N 0.60 1.05 -0.12 0.04 4.15 -1.21 0.15 115.11 119.78 2wv0 h GLN 53 Ca 0.41 -0.12 -0.07 0.00 0.77 0.00 0.00 58.65 59.65 2wv0 h GLN 53 Cb 0.53 -0.21 -0.00 0.00 0.21 0.00 0.00 27.48 28.01 2wv0 h GLN 53 CO -0.33 0.77 -0.19 0.00 -1.93 0.00 0.00 178.83 177.16 2wv0 h ALA 54 N 1.39 0.18 -0.38 3.38 0.00 -0.81 -2.93 119.26 120.09 2wv0 h ALA 54 Ca 0.27 -0.36 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 2wv0 h ALA 54 Cb 0.03 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 2wv0 h ALA 54 CO -0.04 0.11 0.08 -0.07 0.00 0.00 0.00 179.25 179.33 2wv0 h LEU 55 N -0.09 0.59 -0.98 0.00 3.38 -0.87 -2.63 115.31 114.71 2wv0 h LEU 55 Ca 0.01 -0.24 -0.07 0.00 0.09 0.00 0.00 57.88 57.67 2wv0 h LEU 55 Cb 0.76 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.33 2wv0 h LEU 55 CO 0.04 0.68 -0.04 0.28 0.09 0.00 0.00 178.44 179.49 2wv0 h SER 56 N 0.48 0.67 -0.35 -0.43 0.02 -0.79 -0.54 113.55 112.60 2wv0 h SER 56 Ca 0.12 -0.16 -0.09 0.00 -0.84 0.00 0.00 61.79 60.81 2wv0 h SER 56 Cb 0.32 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.67 2wv0 h SER 56 CO 0.00 0.77 -0.11 0.78 -1.14 0.00 0.00 176.83 177.13 2wv0 h ASN 57 N 0.64 0.78 -0.08 3.07 4.21 -1.49 -2.14 115.58 120.58 2wv0 h ASN 57 Ca 0.12 -0.23 -0.12 0.00 1.21 0.00 0.00 56.30 57.28 2wv0 h ASN 57 Cb 0.47 -0.21 -0.01 0.00 -1.12 0.00 0.00 38.32 37.44 2wv0 h ASN 57 CO 0.02 0.91 -0.32 -0.07 -1.29 0.00 0.00 177.43 176.69 2wv0 h LEU 58 N 0.72 0.57 -0.21 1.61 3.38 -1.03 -2.42 115.31 117.92 2wv0 h LEU 58 Ca 0.12 -0.22 -0.00 0.00 0.09 0.00 0.00 57.88 57.87 2wv0 h LEU 58 Cb 0.59 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 2wv0 h LEU 58 CO 0.04 0.86 0.13 0.58 0.09 0.00 0.00 178.44 180.14 2wv0 h VAL 59 N 0.48 1.08 0.00 1.22 2.07 -0.99 -1.15 116.25 118.95 2wv0 h VAL 59 Ca 0.06 -0.18 -0.02 0.00 0.82 0.00 0.00 66.70 67.38 2wv0 h VAL 59 Cb 0.79 0.82 -0.00 0.00 -1.52 0.00 0.00 31.29 31.37 2wv0 h VAL 59 CO 0.06 0.07 -0.09 0.78 0.02 0.00 0.00 177.57 178.42 2wv0 h ASN 60 N 0.27 0.00 0.46 0.57 4.21 -1.17 -0.88 115.58 119.04 2wv0 h ASN 60 Ca 0.08 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.59 2wv0 h ASN 60 Cb 0.01 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.21 2wv0 h ASN 60 CO -0.01 0.09 -0.20 -0.62 -1.29 0.00 0.00 177.43 175.40 2wv0 n GLU 61 N -3.98 0.47 -1.05 0.81 1.02 -0.93 -4.92 120.64 112.05 2wv0 n GLU 61 Ca -0.02 -0.19 -0.02 0.00 -0.02 0.00 0.00 57.16 56.90 2wv0 n GLU 61 Cb 0.18 -1.50 -0.01 0.00 -0.02 0.00 0.00 31.44 30.10 2wv0 n GLU 61 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2wv0 n GLY 62 N 1.37 0.54 0.14 0.62 0.00 -0.34 -4.90 105.19 102.62 2wv0 n GLY 62 Ca 0.11 -0.43 0.02 0.00 0.00 0.00 0.00 46.02 45.72 2wv0 n GLY 62 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2wv0 h LEU 63 N 0.00 0.00 -8.41 0.99 3.38 -1.43 -3.44 115.31 106.40 2wv0 h LEU 63 Ca -0.04 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.73 2wv0 h LEU 63 Cb 0.21 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 40.82 2wv0 h LEU 63 CO 0.05 0.54 -0.69 -0.76 0.09 0.00 0.00 178.44 177.67 2wv0 s LEU 64 N -6.58 2.47 0.28 1.67 1.43 -1.00 -2.16 118.68 114.79 2wv0 s LEU 64 Ca 0.03 -1.02 0.04 0.00 -1.03 0.00 0.00 54.13 52.15 2wv0 s LEU 64 Cb 0.08 -0.00 -0.06 0.00 0.03 0.00 0.00 46.19 46.24 2wv0 s LEU 64 CO 0.74 -0.51 0.03 -0.72 0.23 0.00 0.00 176.35 176.13 2wv0 s TYR 65 N -3.70 1.80 0.48 0.29 -0.85 -0.58 -4.14 117.35 110.64 2wv0 s TYR 65 Ca 0.12 -0.94 0.05 0.00 -0.52 0.00 0.00 57.07 55.77 2wv0 s TYR 65 Cb 0.06 -1.11 -0.02 0.00 0.38 0.00 0.00 41.96 41.27 2wv0 s TYR 65 CO -0.05 -0.02 0.15 1.03 -1.52 0.00 0.00 175.55 175.14 2wv0 s ARG 66 N -3.88 2.19 0.00 -3.49 0.52 -1.26 -1.54 118.95 111.48 2wv0 s ARG 66 Ca 0.34 -2.12 0.00 0.00 -0.52 0.00 0.00 55.73 53.43 2wv0 s ARG 66 Cb 0.07 -1.80 0.00 0.00 0.52 0.00 0.00 34.95 33.74 2wv0 s ARG 66 CO 0.13 -0.31 0.00 1.28 0.02 0.00 0.00 175.30 176.42 2wv0 n LEU 67 N -1.33 0.36 -3.64 2.53 4.77 -1.26 -5.00 117.00 113.41 2wv0 n LEU 67 Ca -0.08 0.00 -0.05 0.00 -0.03 0.00 0.00 56.01 55.85 2wv0 n LEU 67 Cb 0.66 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.68 2wv0 n LEU 67 CO 0.42 0.06 0.75 -0.54 -1.33 0.00 0.00 177.39 176.75 2wv0 s LYS 68 N -1.17 0.38 0.16 3.23 1.02 -1.26 -5.14 119.74 116.96 2wv0 s LYS 68 Ca 0.00 0.56 0.00 0.00 0.02 0.00 0.00 55.97 56.55 2wv0 s LYS 68 Cb 0.00 0.13 0.00 0.00 -0.52 0.00 0.00 37.83 37.44 2wv0 s LYS 68 CO 0.00 -0.06 0.00 0.41 -0.92 0.00 0.00 175.35 174.78 2wv0 n GLY 69 N 2.98 -2.13 0.10 -3.33 0.00 -1.26 -4.29 105.19 97.26 2wv0 n GLY 69 Ca -0.16 -1.41 0.12 0.00 0.00 0.00 0.00 46.02 44.58 2wv0 n GLY 69 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2wv0 n ARG 70 N -2.00 0.20 -1.59 1.61 1.85 -1.26 -4.90 116.66 110.57 2wv0 n ARG 70 Ca 0.00 0.29 -0.42 0.00 -1.00 0.00 0.00 57.85 56.72 2wv0 n ARG 70 Cb 0.21 -1.80 0.01 0.00 -1.05 0.00 0.00 32.46 29.82 2wv0 n ARG 70 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2wv0 n GLY 71 N 0.71 -0.33 3.16 2.89 0.00 -1.26 -4.99 105.19 105.37 2wv0 n GLY 71 Ca 0.04 0.17 -0.22 0.00 0.00 0.00 0.00 46.02 46.01 2wv0 n GLY 71 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2wv0 s THR 72 N -1.25 1.25 0.03 2.61 -1.32 -1.26 -4.42 115.64 111.27 2wv0 s THR 72 Ca 0.62 -0.99 0.05 0.00 -1.21 0.00 0.00 61.69 60.16 2wv0 s THR 72 Cb -0.59 -1.11 -0.02 0.00 -1.51 0.00 0.00 72.50 69.28 2wv0 s THR 72 CO 0.57 0.10 -0.15 -0.36 -2.21 0.00 0.00 174.62 172.57 2wv0 s PHE 73 N -0.76 1.33 0.09 9.09 0.08 -0.59 -0.69 117.98 126.52 2wv0 s PHE 73 Ca 0.04 -0.34 -0.31 0.00 0.12 0.00 0.00 56.93 56.43 2wv0 s PHE 73 Cb -0.08 -0.79 -0.08 0.00 -0.57 0.00 0.00 43.02 41.50 2wv0 s PHE 73 CO 0.01 0.04 1.43 0.08 -0.10 0.00 0.00 175.22 176.68 2wv0 s VAL 74 N -0.79 3.34 0.39 -0.44 1.01 -1.10 -1.53 120.40 121.29 2wv0 s VAL 74 Ca 0.03 0.90 -0.24 0.00 0.00 0.00 0.00 61.98 62.67 2wv0 s VAL 74 Cb -0.08 -3.58 -0.09 0.00 0.00 0.00 0.00 36.38 32.63 2wv0 s VAL 74 CO 0.01 0.05 1.03 -0.44 0.00 0.00 0.00 175.10 175.75 2wv0 s SER 75 N 1.41 6.83 -0.50 3.32 0.01 -0.92 0.40 113.70 124.25 2wv0 s SER 75 Ca 0.66 1.98 -0.13 0.00 1.31 0.00 0.00 55.95 59.77 2wv0 s SER 75 Cb -0.36 -2.58 0.12 0.00 0.21 0.00 0.00 66.02 63.40 2wv0 s SER 75 CO 0.30 -0.44 0.41 -1.59 0.41 0.00 0.00 173.24 172.33 2wv0 s LYS 76 N -2.52 2.77 0.40 12.44 -2.85 -1.26 -4.65 119.74 124.07 2wv0 s LYS 76 Ca 0.57 -1.68 -0.25 0.00 -1.00 0.00 0.00 55.97 53.61 2wv0 s LYS 76 Cb -0.20 -4.10 -0.08 0.00 -2.06 0.00 0.00 37.83 31.38 2wv0 s LYS 76 CO 0.26 -1.22 1.22 -1.25 0.10 0.00 0.00 175.35 174.45 2wv0 s PRO 77 N 1.50 4.01 -0.15 1.78 0.04 -1.26 -4.98 135.00 135.94 2wv0 s PRO 77 Ca 0.04 1.95 -0.29 0.00 0.04 0.00 0.00 61.00 62.74 2wv0 s PRO 77 Cb -0.27 -2.70 -0.03 0.00 0.04 0.00 0.00 34.50 31.54 2wv0 s PRO 77 CO 0.02 -0.39 1.52 -1.59 0.04 0.00 0.00 177.00 176.60 2wv0 s LYS 78 N -2.28 4.06 -0.00 4.56 0.00 -1.26 -4.89 119.74 119.91 2wv0 s LYS 78 Ca 0.57 1.83 0.11 0.00 0.00 0.00 0.00 55.97 58.49 2wv0 s LYS 78 Cb -0.33 -3.94 -0.13 0.00 0.00 0.00 0.00 37.83 33.43 2wv0 s LYS 78 CO 0.42 -0.97 0.45 -1.33 0.00 0.00 0.00 175.35 173.92 2wv0 n MET 79 N 7.18 2.81 -0.03 1.78 2.81 -1.26 -4.71 117.12 125.69 2wv0 n MET 79 Ca 0.17 -0.02 -0.09 0.00 -1.81 0.00 0.00 57.70 55.95 2wv0 n MET 79 Cb 0.44 -1.07 -0.03 0.00 -0.71 0.00 0.00 33.22 31.85 2wv0 n MET 79 CO 0.00 0.00 0.00 0.93 1.51 0.00 0.00 175.97 178.41 2wv0 h GLU 80 N 0.00 -0.27 -0.55 0.03 3.07 -1.98 -0.16 114.58 114.72 2wv0 h GLU 80 Ca 0.00 0.02 -0.09 0.00 -0.50 0.00 0.00 59.36 58.79 2wv0 h GLU 80 Cb 0.31 0.06 -0.02 0.00 -0.84 0.00 0.00 28.75 28.26 2wv0 h GLU 80 CO 0.00 -0.18 -0.00 0.37 -1.40 0.00 0.00 179.01 177.79 2wv0 h GLN 81 N -0.28 0.97 -0.62 2.33 5.75 -1.94 -0.48 115.11 120.84 2wv0 h GLN 81 Ca 0.12 -0.31 -0.02 0.00 -0.15 0.00 0.00 58.65 58.29 2wv0 h GLN 81 Cb 0.47 -0.09 -0.03 0.00 1.07 0.00 0.00 27.48 28.90 2wv0 h GLN 81 CO -0.35 0.98 0.30 0.00 -2.65 0.00 0.00 178.83 177.11 2wv0 h ALA 82 N 0.96 0.79 0.00 3.38 0.00 -1.74 -1.07 119.26 121.58 2wv0 h ALA 82 Ca 0.15 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 2wv0 h ALA 82 Cb 0.54 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 2wv0 h ALA 82 CO 0.03 0.35 -1.51 1.28 0.00 0.00 0.00 179.25 179.40 2wv0 n LEU 83 N -4.52 0.43 0.00 0.00 4.77 -0.11 -4.54 117.00 113.02 2wv0 n LEU 83 Ca 0.04 0.17 0.00 0.00 -0.03 0.00 0.00 56.01 56.19 2wv0 n LEU 83 Cb 0.12 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 2wv0 n LEU 83 CO 0.38 -0.08 -0.01 0.00 -1.33 0.00 0.00 177.39 176.34 2wv0 n GLN 84 N -2.48 2.88 0.00 3.23 6.02 -0.20 -0.44 117.38 126.40 2wv0 n GLN 84 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.97 2wv0 n GLN 84 Cb 0.57 -0.23 0.00 0.00 1.02 0.00 0.00 30.24 31.60 2wv0 n GLN 84 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2wv0 n GLY 85 N 0.44 2.73 2.98 1.08 0.00 -0.43 -4.99 105.19 107.01 2wv0 n GLY 85 Ca 0.00 -0.27 -0.14 0.00 0.00 0.00 0.00 46.02 45.61 2wv0 n GLY 85 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2wv0 s LEU 86 N 0.00 -0.20 0.14 0.99 2.96 -1.08 -4.88 118.68 116.61 2wv0 s LEU 86 Ca 0.00 0.55 0.11 0.00 -0.22 0.00 0.00 54.13 54.57 2wv0 s LEU 86 Cb 0.00 0.64 -0.04 0.00 0.50 0.00 0.00 46.19 47.29 2wv0 s LEU 86 CO 0.00 -0.23 -0.26 0.42 -1.32 0.00 0.00 176.35 174.95 2wv0 s THR 87 N 2.29 2.30 1.06 3.68 -4.23 -1.26 -4.92 115.64 114.55 2wv0 s THR 87 Ca 0.00 -1.78 -0.14 0.00 -1.18 0.00 0.00 61.69 58.60 2wv0 s THR 87 Cb -0.12 -2.03 0.22 0.00 1.34 0.00 0.00 72.50 71.91 2wv0 s THR 87 CO -0.08 0.07 1.10 -0.94 -0.54 0.00 0.00 174.62 174.23 2wv0 s SER 88 N -2.13 2.16 0.19 3.99 1.04 -1.26 -4.83 113.70 112.86 2wv0 s SER 88 Ca 0.15 0.98 -0.12 0.00 0.48 0.00 0.00 55.95 57.44 2wv0 s SER 88 Cb -0.10 -1.52 0.15 0.00 0.10 0.00 0.00 66.02 64.65 2wv0 s SER 88 CO 0.07 -3.39 1.82 0.15 0.98 0.00 0.00 173.24 172.86 2wv0 h PHE 89 N -2.08 0.64 -0.37 5.02 3.04 -2.01 -1.03 116.94 120.16 2wv0 h PHE 89 Ca -0.52 0.02 0.08 0.00 3.98 0.00 0.00 57.97 61.53 2wv0 h PHE 89 Cb 1.32 -0.20 -0.08 0.00 2.56 0.00 0.00 35.95 39.55 2wv0 h PHE 89 CO -0.39 0.35 -0.18 1.15 -2.02 0.00 0.00 178.31 177.23 2wv0 h THR 90 N 0.67 0.47 -0.31 4.41 2.02 -1.97 0.44 112.91 118.64 2wv0 h THR 90 Ca 0.24 0.00 -0.14 0.00 0.77 0.00 0.00 66.41 67.28 2wv0 h THR 90 Cb 0.05 0.47 -0.01 0.00 -1.74 0.00 0.00 68.15 66.92 2wv0 h THR 90 CO -0.12 0.00 -0.38 -0.33 0.37 0.00 0.00 175.52 175.06 2wv0 h GLU 91 N -0.11 0.72 0.10 6.66 5.08 -1.92 -2.80 114.58 122.31 2wv0 h GLU 91 Ca 0.18 -0.37 0.00 0.00 -1.00 0.00 0.00 59.36 58.18 2wv0 h GLU 91 Cb 0.39 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 2wv0 h GLU 91 CO -0.44 0.98 -0.08 0.22 -1.00 0.00 0.00 179.01 178.69 2wv0 h ASP 92 N 0.60 -0.20 -0.99 1.42 3.58 -0.68 -0.71 116.42 119.44 2wv0 h ASP 92 Ca 0.05 0.02 0.01 0.00 0.42 0.00 0.00 57.03 57.53 2wv0 h ASP 92 Cb 0.92 0.07 -0.05 0.00 1.72 0.00 0.00 39.33 41.99 2wv0 h ASP 92 CO 0.08 -0.13 0.65 0.24 -2.88 0.00 0.00 179.24 177.21 2wv0 h MET 93 N -0.19 1.29 -0.72 0.28 2.86 -0.95 -2.50 114.93 115.01 2wv0 h MET 93 Ca -0.00 -0.08 -0.06 0.00 -2.06 0.00 0.00 59.70 57.50 2wv0 h MET 93 Cb 0.17 -0.29 -0.03 0.00 0.06 0.00 0.00 31.60 31.51 2wv0 h MET 93 CO -0.01 0.85 0.20 0.87 1.06 0.00 0.00 176.91 179.88 2wv0 h LYS 94 N 1.33 1.14 0.00 1.72 1.57 -1.27 0.19 116.57 121.25 2wv0 h LYS 94 Ca 0.37 -0.26 -0.00 0.00 -1.87 0.00 0.00 60.65 58.88 2wv0 h LYS 94 Cb -0.13 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 32.02 2wv0 h LYS 94 CO -0.08 0.99 -0.02 0.66 -0.57 0.00 0.00 179.45 180.42 2wv0 h SER 95 N 1.08 0.00 -0.23 0.86 4.64 -0.68 0.54 113.55 119.76 2wv0 h SER 95 Ca 0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.55 2wv0 h SER 95 Cb 0.34 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.43 2wv0 h SER 95 CO -0.00 0.02 0.00 0.54 -0.87 0.00 0.00 176.83 176.52 2wv0 n ARG 96 N -3.45 2.03 -2.97 4.77 1.74 -0.87 -4.94 116.66 112.96 2wv0 n ARG 96 Ca -0.03 -1.54 -0.19 0.00 -0.77 0.00 0.00 57.85 55.33 2wv0 n ARG 96 Cb 0.12 -1.44 0.04 0.00 -1.02 0.00 0.00 32.46 30.16 2wv0 n ARG 96 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2wv0 n GLY 97 N 1.27 -0.32 3.56 -0.13 0.00 0.18 -4.95 105.19 104.79 2wv0 n GLY 97 Ca 0.17 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.94 2wv0 n GLY 97 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2wv0 s MET 98 N -5.60 2.00 -0.37 1.61 -1.94 0.60 -4.99 119.30 110.60 2wv0 s MET 98 Ca 0.29 -1.42 -0.14 0.00 -1.71 0.00 0.00 55.69 52.71 2wv0 s MET 98 Cb -0.13 -2.06 -0.00 0.00 2.01 0.00 0.00 34.83 34.65 2wv0 s MET 98 CO 0.36 0.39 0.28 0.99 -0.01 0.00 0.00 175.02 177.04 2wv0 s THR 99 N -2.01 5.26 0.47 2.05 2.01 -1.26 -3.42 115.64 118.74 2wv0 s THR 99 Ca 0.27 -0.38 -0.20 0.00 0.31 0.00 0.00 61.69 61.69 2wv0 s THR 99 Cb -0.07 -3.83 -0.09 0.00 0.01 0.00 0.00 72.50 68.52 2wv0 s THR 99 CO 0.16 -0.16 1.00 -2.16 -0.69 0.00 0.00 174.62 172.77 2wv0 s PRO 100 N 1.75 3.97 0.20 4.92 0.04 -1.26 -0.47 135.00 144.14 2wv0 s PRO 100 Ca 0.06 1.22 -0.10 0.00 0.04 0.00 0.00 61.00 62.23 2wv0 s PRO 100 Cb -0.18 -2.13 -0.01 0.00 0.04 0.00 0.00 34.50 32.22 2wv0 s PRO 100 CO 0.11 -0.27 0.34 0.20 0.04 0.00 0.00 177.00 177.41 2wv0 s GLY 101 N -2.19 0.58 -0.01 0.56 0.00 0.20 -4.93 107.32 101.54 2wv0 s GLY 101 Ca 0.64 -0.95 -0.02 0.00 0.00 0.00 0.00 44.72 44.39 2wv0 s GLY 101 CO 0.19 -0.81 0.05 -0.56 0.00 0.00 0.00 173.10 171.97 2wv0 s SER 102 N -3.00 0.01 -0.04 1.64 0.01 -1.26 -0.35 113.70 110.71 2wv0 s SER 102 Ca 0.21 -0.04 0.04 0.00 1.31 0.00 0.00 55.95 57.47 2wv0 s SER 102 Cb 0.02 0.12 -0.00 0.00 0.21 0.00 0.00 66.02 66.37 2wv0 s SER 102 CO 0.04 -0.11 -0.15 -0.60 0.41 0.00 0.00 173.24 172.83 2wv0 s ARG 103 N -0.41 1.52 -0.07 12.44 3.52 -0.56 -4.63 118.95 130.77 2wv0 s ARG 103 Ca -0.05 -0.53 -0.30 0.00 -0.13 0.00 0.00 55.73 54.72 2wv0 s ARG 103 Cb -0.03 -1.36 -0.03 0.00 -1.56 0.00 0.00 34.95 31.97 2wv0 s ARG 103 CO 0.00 0.22 1.28 -1.17 -0.81 0.00 0.00 175.30 174.82 2wv0 s LEU 104 N 0.02 4.27 -0.13 -0.88 2.96 -1.26 -0.57 118.68 123.10 2wv0 s LEU 104 Ca -0.02 1.87 -0.20 0.00 -0.22 0.00 0.00 54.13 55.55 2wv0 s LEU 104 Cb -0.10 -3.55 -0.26 0.00 0.50 0.00 0.00 46.19 42.78 2wv0 s LEU 104 CO 0.01 -0.67 0.57 0.40 -1.32 0.00 0.00 176.35 175.34 2wv0 h ILE 105 N 5.12 1.21 -2.20 6.68 2.04 -1.15 -3.47 117.51 125.74 2wv0 h ILE 105 Ca -0.33 -2.36 -0.07 0.00 1.00 0.00 0.00 64.86 63.10 2wv0 h ILE 105 Cb 1.15 2.80 -0.20 0.00 -0.74 0.00 0.00 36.82 39.83 2wv0 h ILE 105 CO 0.91 0.60 0.07 -0.62 0.00 0.00 0.00 178.15 179.12 2wv0 s ASP 106 N -6.83 -0.61 -0.02 1.72 2.15 -0.91 -5.02 116.67 107.15 2wv0 s ASP 106 Ca -0.21 0.87 0.02 0.00 0.43 0.00 0.00 52.55 53.66 2wv0 s ASP 106 Cb 0.03 0.81 0.00 0.00 -0.30 0.00 0.00 42.92 43.46 2wv0 s ASP 106 CO 0.72 -0.44 -0.07 -0.47 -0.17 0.00 0.00 175.17 174.74 2wv0 s TYR 107 N -0.61 0.73 -0.01 -5.34 6.14 -1.26 -0.97 117.35 116.03 2wv0 s TYR 107 Ca -0.07 -0.16 -0.03 0.00 0.64 0.00 0.00 57.07 57.45 2wv0 s TYR 107 Cb -0.02 -0.52 0.00 0.00 0.42 0.00 0.00 41.96 41.83 2wv0 s TYR 107 CO 0.06 -0.06 0.07 -0.65 0.64 0.00 0.00 175.55 175.61 2wv0 s GLN 108 N 0.12 0.22 -0.41 4.97 -0.21 -0.65 -5.02 119.66 118.68 2wv0 s GLN 108 Ca -0.01 -0.13 -0.15 0.00 0.02 0.00 0.00 55.36 55.08 2wv0 s GLN 108 Cb -0.06 0.09 0.02 0.00 1.00 0.00 0.00 33.01 34.06 2wv0 s GLN 108 CO -0.00 -0.04 0.30 -1.17 -2.12 0.00 0.00 175.29 172.26 2wv0 s LEU 109 N -0.55 5.12 0.30 2.90 2.96 -1.26 -0.01 118.68 128.14 2wv0 s LEU 109 Ca -0.06 -0.91 0.09 0.00 -0.22 0.00 0.00 54.13 53.03 2wv0 s LEU 109 Cb -0.04 -2.16 -0.04 0.00 0.50 0.00 0.00 46.19 44.45 2wv0 s LEU 109 CO 0.00 -0.46 0.10 0.27 -1.32 0.00 0.00 176.35 174.94 2wv0 s ILE 110 N 1.68 3.41 0.27 6.68 -4.36 0.93 -4.88 121.20 124.93 2wv0 s ILE 110 Ca 0.05 -1.73 -0.20 0.00 -0.26 0.00 0.00 60.65 58.52 2wv0 s ILE 110 Cb -0.19 -2.99 -0.09 0.00 1.25 0.00 0.00 42.46 40.44 2wv0 s ILE 110 CO 0.10 -0.28 0.77 -1.81 0.24 0.00 0.00 174.94 173.96 2wv0 s ASP 111 N -3.79 7.02 0.34 4.36 1.01 -1.26 0.45 116.67 124.81 2wv0 s ASP 111 Ca 0.35 1.46 -0.29 0.00 0.71 0.00 0.00 52.55 54.78 2wv0 s ASP 111 Cb -0.05 -2.44 -0.11 0.00 1.01 0.00 0.00 42.92 41.33 2wv0 s ASP 111 CO 0.22 -0.07 1.51 -0.55 0.21 0.00 0.00 175.17 176.50 2wv0 s SER 112 N -1.83 6.40 0.20 0.27 0.15 0.10 -4.83 113.70 114.16 2wv0 s SER 112 Ca 0.48 2.97 0.08 0.00 0.70 0.00 0.00 55.95 60.18 2wv0 s SER 112 Cb -0.15 -2.65 -0.04 0.00 -1.71 0.00 0.00 66.02 61.47 2wv0 s SER 112 CO 0.20 -0.86 -0.00 0.28 1.20 0.00 0.00 173.24 174.06 2wv0 s THR 113 N -0.67 3.62 0.15 6.45 -1.32 -1.26 -4.79 115.64 117.82 2wv0 s THR 113 Ca 0.56 -1.57 -0.19 0.00 -1.21 0.00 0.00 61.69 59.28 2wv0 s THR 113 Cb -0.46 -2.86 0.04 0.00 -1.51 0.00 0.00 72.50 67.71 2wv0 s THR 113 CO 0.56 -0.19 1.68 1.05 -2.21 0.00 0.00 174.62 175.51 2wv0 h GLU 114 N 2.46 -0.03 -0.31 7.08 9.09 -1.99 0.88 114.58 131.76 2wv0 h GLU 114 Ca -0.46 0.00 0.05 0.00 0.05 0.00 0.00 59.36 58.99 2wv0 h GLU 114 Cb 1.22 0.01 -0.04 0.00 -1.65 0.00 0.00 28.75 28.28 2wv0 h GLU 114 CO 0.58 -0.02 0.05 1.05 0.05 0.00 0.00 179.01 180.72 2wv0 h GLU 115 N -0.03 0.16 -0.39 1.06 -0.00 -2.00 -2.08 114.58 111.30 2wv0 h GLU 115 Ca 0.15 -0.01 -0.09 0.00 -0.00 0.00 0.00 59.36 59.41 2wv0 h GLU 115 Cb 0.26 -0.04 -0.02 0.00 -0.00 0.00 0.00 28.75 28.96 2wv0 h GLU 115 CO -0.33 0.10 -0.14 -0.07 -0.00 0.00 0.00 179.01 178.57 2wv0 h LEU 116 N 0.16 0.70 -0.02 3.06 3.38 -1.87 -1.65 115.31 119.07 2wv0 h LEU 116 Ca 0.15 -0.22 0.03 0.00 0.09 0.00 0.00 57.88 57.93 2wv0 h LEU 116 Cb 0.17 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.69 2wv0 h LEU 116 CO -0.20 0.86 -0.17 0.00 0.09 0.00 0.00 178.44 179.02 2wv0 h ALA 117 N 1.20 -0.19 -0.69 1.53 0.00 -0.62 -1.63 119.26 118.86 2wv0 h ALA 117 Ca 0.11 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 2wv0 h ALA 117 Cb 0.61 0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.67 2wv0 h ALA 117 CO 0.04 -0.66 0.42 0.00 0.00 0.00 0.00 179.25 179.05 2wv0 h ALA 118 N 0.67 1.43 0.38 0.00 0.00 -1.14 0.45 119.26 121.06 2wv0 h ALA 118 Ca 0.06 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 2wv0 h ALA 118 Cb 0.35 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2wv0 h ALA 118 CO -0.18 0.49 -0.18 0.82 0.00 0.00 0.00 179.25 180.20 2wv0 h ILE 119 N 0.95 0.00 0.00 0.00 2.04 -1.10 -3.26 117.51 116.14 2wv0 h ILE 119 Ca 0.25 -0.16 0.00 0.00 1.00 0.00 0.00 64.86 65.95 2wv0 h ILE 119 Cb -0.04 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.04 2wv0 h ILE 119 CO -0.05 0.00 0.00 0.18 0.00 0.00 0.00 178.15 178.28 2wv0 n LEU 120 N -3.83 0.12 -1.65 1.44 4.77 -0.63 -4.87 117.00 112.34 2wv0 n LEU 120 Ca -0.06 0.52 -0.17 0.00 -0.03 0.00 0.00 56.01 56.26 2wv0 n LEU 120 Cb 0.20 -0.50 -0.04 0.00 -2.33 0.00 0.00 43.42 40.75 2wv0 n LEU 120 CO 0.15 -0.20 -0.19 0.61 -1.33 0.00 0.00 177.39 176.43 2wv0 n GLY 121 N 0.56 0.71 3.64 -0.72 0.00 0.15 -4.07 105.19 105.47 2wv0 n GLY 121 Ca 0.05 -0.17 -0.23 0.00 0.00 0.00 0.00 46.02 45.67 2wv0 n GLY 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wv0 s GLY 123 N -5.08 1.79 -0.22 0.00 0.00 -1.26 -4.80 107.32 97.75 2wv0 s GLY 123 Ca 0.64 0.27 -0.05 0.00 0.00 0.00 0.00 44.72 45.58 2wv0 s GLY 123 CO 0.43 0.61 0.42 -1.58 0.00 0.00 0.00 173.10 172.97 2wv0 s HIS 124 N -2.81 -0.87 0.26 1.90 2.46 -1.26 -4.02 115.29 110.95 2wv0 s HIS 124 Ca 0.61 1.30 -0.29 0.00 0.47 0.00 0.00 55.06 57.16 2wv0 s HIS 124 Cb -0.17 0.23 -0.09 0.00 -0.13 0.00 0.00 32.58 32.42 2wv0 s HIS 124 CO 0.52 -0.60 0.93 -1.25 -2.47 0.00 0.00 174.74 171.87 2wv0 s PRO 125 N 2.61 4.76 0.26 2.88 0.04 -1.26 -5.15 135.00 139.15 2wv0 s PRO 125 Ca 0.05 1.43 -0.16 0.00 0.04 0.00 0.00 61.00 62.35 2wv0 s PRO 125 Cb -0.13 -3.13 0.01 0.00 0.04 0.00 0.00 34.50 31.28 2wv0 s PRO 125 CO -0.15 0.45 0.59 -1.54 0.04 0.00 0.00 177.00 176.39 2wv0 s SER 126 N -1.31 -0.16 0.01 6.66 1.04 -1.26 -4.97 113.70 113.71 2wv0 s SER 126 Ca 0.44 -0.79 -0.11 0.00 0.48 0.00 0.00 55.95 55.96 2wv0 s SER 126 Cb -0.24 0.65 -0.05 0.00 0.10 0.00 0.00 66.02 66.48 2wv0 s SER 126 CO 0.29 -1.24 0.36 -0.44 0.98 0.00 0.00 173.24 173.20 2wv0 s SER 127 N -2.98 6.67 -0.05 7.02 0.01 -1.26 0.01 113.70 123.12 2wv0 s SER 127 Ca 0.17 0.81 0.01 0.00 1.31 0.00 0.00 55.95 58.25 2wv0 s SER 127 Cb -0.03 -2.19 0.02 0.00 0.21 0.00 0.00 66.02 64.03 2wv0 s SER 127 CO 0.08 0.28 -0.06 -0.63 0.41 0.00 0.00 173.24 173.32 2wv0 s ILE 128 N -1.21 0.67 0.21 1.44 1.01 0.17 -1.65 121.20 121.85 2wv0 s ILE 128 Ca 0.26 -0.19 -0.30 0.00 0.00 0.00 0.00 60.65 60.42 2wv0 s ILE 128 Cb -0.15 -0.68 -0.10 0.00 0.01 0.00 0.00 42.46 41.54 2wv0 s ILE 128 CO 0.14 0.26 1.46 -1.00 0.00 0.00 0.00 174.94 175.80 2wv0 s HIS 129 N 0.99 3.07 -0.29 3.97 3.76 0.59 -0.05 115.29 127.33 2wv0 s HIS 129 Ca -0.10 0.94 0.03 0.00 -0.15 0.00 0.00 55.06 55.78 2wv0 s HIS 129 Cb -0.14 -3.82 0.08 0.00 1.11 0.00 0.00 32.58 29.81 2wv0 s HIS 129 CO -0.00 -2.76 -0.02 0.21 -0.85 0.00 0.00 174.74 171.32 2wv0 s LYS 130 N 0.13 1.67 -0.23 1.40 2.20 0.99 -1.43 119.74 124.48 2wv0 s LYS 130 Ca 0.62 -1.46 -0.02 0.00 -0.36 0.00 0.00 55.97 54.76 2wv0 s LYS 130 Cb -0.41 -2.87 0.02 0.00 -1.51 0.00 0.00 37.83 33.05 2wv0 s LYS 130 CO 0.39 -0.76 -0.08 0.42 -0.36 0.00 0.00 175.35 174.96 2wv0 s ILE 131 N 1.13 2.82 -0.26 5.43 1.01 -0.23 -1.64 121.20 129.46 2wv0 s ILE 131 Ca 0.01 -0.91 -0.06 0.00 0.00 0.00 0.00 60.65 59.70 2wv0 s ILE 131 Cb -0.19 -2.36 -0.00 0.00 0.01 0.00 0.00 42.46 39.92 2wv0 s ILE 131 CO -0.08 0.31 0.03 -0.89 0.00 0.00 0.00 174.94 174.31 2wv0 s THR 132 N 1.35 3.80 0.14 2.92 2.01 -0.15 -0.30 115.64 125.41 2wv0 s THR 132 Ca 0.02 -0.54 0.09 0.00 0.31 0.00 0.00 61.69 61.57 2wv0 s THR 132 Cb -0.15 -2.85 -0.04 0.00 0.01 0.00 0.00 72.50 69.46 2wv0 s THR 132 CO -0.06 0.24 -0.22 -0.13 -0.69 0.00 0.00 174.62 173.77 2wv0 s ARG 133 N 1.51 1.26 -0.28 4.92 0.52 0.02 -0.55 118.95 126.36 2wv0 s ARG 133 Ca 0.04 -1.31 -0.22 0.00 -0.52 0.00 0.00 55.73 53.72 2wv0 s ARG 133 Cb -0.16 -1.52 -0.01 0.00 0.52 0.00 0.00 34.95 33.78 2wv0 s ARG 133 CO 0.01 0.34 0.71 0.54 0.02 0.00 0.00 175.30 176.91 2wv0 s VAL 134 N -1.45 4.90 -0.11 3.52 0.11 0.27 -1.08 120.40 126.55 2wv0 s VAL 134 Ca 0.12 1.17 -0.21 0.00 -2.93 0.00 0.00 61.98 60.12 2wv0 s VAL 134 Cb -0.09 -4.04 -0.04 0.00 -1.53 0.00 0.00 36.38 30.69 2wv0 s VAL 134 CO 0.06 -0.10 0.62 -0.13 -3.33 0.00 0.00 175.10 172.22 2wv0 s ARG 135 N 2.70 4.36 -0.01 1.54 1.81 0.39 -1.50 118.95 128.24 2wv0 s ARG 135 Ca 0.29 0.70 0.02 0.00 -1.72 0.00 0.00 55.73 55.02 2wv0 s ARG 135 Cb -0.15 -3.47 -0.03 0.00 -0.45 0.00 0.00 34.95 30.84 2wv0 s ARG 135 CO 0.10 0.02 -0.03 -0.51 -0.68 0.00 0.00 175.30 174.20 2wv0 s LEU 136 N 1.00 3.34 -0.11 2.53 2.01 0.53 -0.20 118.68 127.78 2wv0 s LEU 136 Ca 0.32 -0.07 0.00 0.00 0.01 0.00 0.00 54.13 54.40 2wv0 s LEU 136 Cb -0.16 -1.90 0.02 0.00 0.01 0.00 0.00 46.19 44.16 2wv0 s LEU 136 CO 0.14 0.29 -0.11 0.00 1.01 0.00 0.00 176.35 177.68 2wv0 s ALA 137 N -1.02 1.49 -1.39 4.21 0.00 -0.27 -0.63 121.76 124.15 2wv0 s ALA 137 Ca 0.18 -0.63 -0.04 0.00 0.00 0.00 0.00 51.96 51.46 2wv0 s ALA 137 Cb -0.11 -0.88 0.03 0.00 0.00 0.00 0.00 23.12 22.15 2wv0 s ALA 137 CO 0.08 -0.28 0.74 0.09 0.00 0.00 0.00 175.76 176.39 2wv0 n ASN 138 N 4.64 -2.11 -0.27 0.00 3.02 0.38 -2.26 115.26 118.66 2wv0 n ASN 138 Ca -0.16 -0.84 -0.03 0.00 -0.03 0.00 0.00 54.58 53.52 2wv0 n ASN 138 Cb 0.50 -3.84 -0.01 0.00 -0.61 0.00 0.00 39.78 35.82 2wv0 n ASN 138 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2wv0 n ASP 139 N -2.98 -5.12 -4.25 6.41 8.00 -1.26 -4.98 116.55 112.38 2wv0 n ASP 139 Ca -0.20 0.09 -0.32 0.00 0.71 0.00 0.00 54.79 55.07 2wv0 n ASP 139 Cb 0.63 -2.92 -0.16 0.00 -0.02 0.00 0.00 41.12 38.64 2wv0 n ASP 139 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2wv0 s ILE 140 N -1.56 2.25 0.04 0.53 1.01 -0.96 -5.08 121.20 117.43 2wv0 s ILE 140 Ca 0.00 -0.95 -0.38 0.00 0.00 0.00 0.00 60.65 59.32 2wv0 s ILE 140 Cb 0.00 -1.88 -0.19 0.00 0.01 0.00 0.00 42.46 40.40 2wv0 s ILE 140 CO 0.00 0.55 1.13 -2.65 0.00 0.00 0.00 174.94 173.98 2wv0 n PRO 141 N 3.56 0.39 0.00 2.79 -0.02 -1.26 -1.11 135.00 139.35 2wv0 n PRO 141 Ca -0.19 0.14 0.00 0.00 -2.02 0.00 0.00 63.50 61.43 2wv0 n PRO 141 Cb 0.53 -1.67 0.00 0.00 -0.02 0.00 0.00 33.50 32.34 2wv0 n PRO 141 CO 0.00 0.00 0.00 -0.12 1.98 0.00 0.00 175.50 177.36 2wv0 n MET 142 N 1.80 0.00 -3.91 -0.52 1.56 0.72 -4.77 117.12 112.00 2wv0 n MET 142 Ca 0.19 0.00 -0.09 0.00 -0.27 0.00 0.00 57.70 57.53 2wv0 n MET 142 Cb 0.13 -0.69 -0.09 0.00 2.15 0.00 0.00 33.22 34.72 2wv0 n MET 142 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 2wv0 s ALA 143 N -1.99 -0.09 -0.19 -5.12 0.00 -0.90 -1.56 121.76 111.90 2wv0 s ALA 143 Ca 0.00 -0.61 -0.05 0.00 0.00 0.00 0.00 51.96 51.30 2wv0 s ALA 143 Cb 0.00 0.33 -0.02 0.00 0.00 0.00 0.00 23.12 23.43 2wv0 s ALA 143 CO 0.00 -0.39 -0.01 0.42 0.00 0.00 0.00 175.76 175.77 2wv0 s ILE 144 N -3.17 3.87 -0.09 0.00 1.01 -0.17 -0.46 121.20 122.19 2wv0 s ILE 144 Ca -0.00 -0.34 0.04 0.00 0.00 0.00 0.00 60.65 60.34 2wv0 s ILE 144 Cb 0.02 -2.74 0.00 0.00 0.01 0.00 0.00 42.46 39.75 2wv0 s ILE 144 CO -0.07 0.44 -0.22 -0.70 0.00 0.00 0.00 174.94 174.38 2wv0 s GLU 145 N 0.92 2.75 -0.25 2.79 2.12 -0.24 -0.83 118.70 125.96 2wv0 s GLU 145 Ca 0.01 -0.81 0.01 0.00 0.36 0.00 0.00 54.97 54.53 2wv0 s GLU 145 Cb -0.14 -2.13 0.04 0.00 0.26 0.00 0.00 34.13 32.16 2wv0 s GLU 145 CO 0.02 0.19 -0.09 0.45 -0.54 0.00 0.00 175.26 175.28 2wv0 s SER 146 N 0.30 4.28 -0.03 -1.70 0.15 0.07 -0.80 113.70 115.98 2wv0 s SER 146 Ca -0.16 -1.13 0.07 0.00 0.70 0.00 0.00 55.95 55.43 2wv0 s SER 146 Cb -0.17 -1.59 -0.02 0.00 -1.71 0.00 0.00 66.02 62.53 2wv0 s SER 146 CO 0.07 -0.16 -0.25 -0.94 1.20 0.00 0.00 173.24 173.17 2wv0 s SER 147 N 1.21 2.92 -0.21 5.45 1.04 0.59 -1.42 113.70 123.29 2wv0 s SER 147 Ca -0.04 -0.46 -0.08 0.00 0.48 0.00 0.00 55.95 55.86 2wv0 s SER 147 Cb -0.18 -0.42 -0.04 0.00 0.10 0.00 0.00 66.02 65.48 2wv0 s SER 147 CO -0.05 0.29 0.07 -1.00 0.98 0.00 0.00 173.24 173.53 2wv0 s HIS 148 N -0.50 3.20 -0.07 5.02 3.76 -0.11 -1.06 115.29 125.52 2wv0 s HIS 148 Ca 0.07 -0.06 -0.01 0.00 -0.15 0.00 0.00 55.06 54.91 2wv0 s HIS 148 Cb -0.10 -2.14 0.03 0.00 1.11 0.00 0.00 32.58 31.48 2wv0 s HIS 148 CO -0.00 -0.00 0.00 0.42 -0.85 0.00 0.00 174.74 174.31 2wv0 s ILE 149 N 0.78 0.36 0.19 0.60 1.01 -0.51 -1.95 121.20 121.68 2wv0 s ILE 149 Ca 0.04 0.12 -0.33 0.00 0.00 0.00 0.00 60.65 60.48 2wv0 s ILE 149 Cb -0.13 -0.53 -0.15 0.00 0.01 0.00 0.00 42.46 41.66 2wv0 s ILE 149 CO 0.02 0.25 1.35 -2.65 0.00 0.00 0.00 174.94 173.91 2wv0 n PRO 150 N 5.15 1.69 -0.24 2.79 -0.02 -1.26 -0.30 135.00 142.81 2wv0 n PRO 150 Ca -0.07 0.60 0.05 0.00 -2.02 0.00 0.00 63.50 62.06 2wv0 n PRO 150 Cb 0.50 -2.22 0.16 0.00 -0.02 0.00 0.00 33.50 31.92 2wv0 n PRO 150 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 2wv0 h PHE 151 N 4.22 0.19 0.00 6.00 3.57 -1.66 -2.25 116.94 127.01 2wv0 h PHE 151 Ca -0.45 0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.09 2wv0 h PHE 151 Cb 1.30 0.03 -0.00 0.00 2.79 0.00 0.00 35.95 40.07 2wv0 h PHE 151 CO 0.57 -0.11 -0.04 0.93 -2.23 0.00 0.00 178.31 177.43 2wv0 h GLU 152 N 0.23 0.00 -0.01 1.11 4.39 -1.89 0.45 114.58 118.86 2wv0 h GLU 152 Ca 0.40 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.10 2wv0 h GLU 152 Cb 0.67 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.32 2wv0 h GLU 152 CO -0.52 0.04 -0.16 1.28 -1.16 0.00 0.00 179.01 178.49 2wv0 n LEU 153 N -3.64 1.33 0.00 1.33 4.77 -0.85 -4.30 117.00 115.64 2wv0 n LEU 153 Ca -0.02 -0.40 0.00 0.00 -0.03 0.00 0.00 56.01 55.55 2wv0 n LEU 153 Cb 0.14 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 2wv0 n LEU 153 CO 0.27 0.23 -0.23 0.00 -1.33 0.00 0.00 177.39 176.34 2wv0 n ALA 154 N -0.23 1.27 -0.73 -1.18 0.00 -0.53 -4.79 120.51 114.32 2wv0 n ALA 154 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.59 2wv0 n ALA 154 Cb 0.37 0.08 0.00 0.00 0.00 0.00 0.00 19.45 19.89 2wv0 n ALA 154 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wv0 n GLY 155 N 1.47 0.46 3.73 0.00 0.00 0.15 -4.77 105.19 106.23 2wv0 n GLY 155 Ca 0.00 -0.85 -0.42 0.00 0.00 0.00 0.00 46.02 44.75 2wv0 n GLY 155 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wv0 s GLU 156 N 0.00 4.37 -0.04 1.61 0.41 -1.26 -4.91 118.70 118.87 2wv0 s GLU 156 Ca 0.00 2.03 0.07 0.00 -0.41 0.00 0.00 54.97 56.66 2wv0 s GLU 156 Cb 0.00 -3.23 -0.02 0.00 -1.78 0.00 0.00 34.13 29.10 2wv0 s GLU 156 CO 0.00 -0.32 -0.24 -0.51 -0.49 0.00 0.00 175.26 173.69 2wv0 s LEU 157 N 0.47 2.12 0.00 1.80 1.02 -1.26 -5.09 118.68 117.74 2wv0 s LEU 157 Ca 0.60 -0.46 0.01 0.00 0.02 0.00 0.00 54.13 54.30 2wv0 s LEU 157 Cb -0.36 -1.37 -0.01 0.00 0.02 0.00 0.00 46.19 44.47 2wv0 s LEU 157 CO 0.34 0.29 0.05 -0.46 0.02 0.00 0.00 176.35 176.60 2wv0 n ASN 158 N 2.64 0.54 -0.18 2.29 0.23 -1.26 -5.03 115.26 114.48 2wv0 n ASN 158 Ca -0.17 -1.58 0.12 0.00 -0.53 0.00 0.00 54.58 52.42 2wv0 n ASN 158 Cb 0.51 0.34 0.43 0.00 -2.08 0.00 0.00 39.78 38.99 2wv0 n ASN 158 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 2wv0 h GLU 159 N 0.00 0.55 -0.06 -3.83 -0.00 -2.00 -1.12 114.58 108.12 2wv0 h GLU 159 Ca -0.08 -0.03 -0.01 0.00 -0.00 0.00 0.00 59.36 59.24 2wv0 h GLU 159 Cb 0.32 -0.12 -0.00 0.00 -0.00 0.00 0.00 28.75 28.94 2wv0 h GLU 159 CO 0.12 0.37 -0.03 0.66 -0.00 0.00 0.00 179.01 180.13 2wv0 h SER 160 N 0.57 0.07 0.11 3.06 4.64 -1.97 -0.74 113.55 119.29 2wv0 h SER 160 Ca 0.36 -0.01 -0.15 0.00 -0.47 0.00 0.00 61.79 61.52 2wv0 h SER 160 Cb 0.62 -0.02 0.02 0.00 -0.31 0.00 0.00 62.40 62.71 2wv0 h SER 160 CO -0.13 0.12 -0.67 0.45 -0.87 0.00 0.00 176.83 175.73 2wv0 h HIS 161 N 0.08 0.47 -0.65 4.77 3.86 -1.60 -3.30 115.15 118.78 2wv0 h HIS 161 Ca 0.02 -0.33 -0.03 0.00 -1.16 0.00 0.00 60.37 58.87 2wv0 h HIS 161 Cb 0.11 -0.02 -0.03 0.00 1.06 0.00 0.00 27.41 28.52 2wv0 h HIS 161 CO 0.00 1.25 0.27 0.74 0.86 0.00 0.00 177.93 181.05 2wv0 h PHE 162 N -0.44 0.94 -0.06 2.45 0.04 -1.05 -2.47 116.94 116.35 2wv0 h PHE 162 Ca -0.11 -0.05 0.00 0.00 2.80 0.00 0.00 57.97 60.60 2wv0 h PHE 162 Cb 1.52 -0.29 0.00 0.00 2.20 0.00 0.00 35.95 39.38 2wv0 h PHE 162 CO 0.21 0.72 0.00 1.04 -0.60 0.00 0.00 178.31 179.67 2wv0 n GLN 163 N -4.32 1.29 0.00 1.51 6.02 -0.32 -4.69 117.38 116.88 2wv0 n GLN 163 Ca 0.06 -0.44 0.00 0.00 -0.01 0.00 0.00 57.00 56.61 2wv0 n GLN 163 Cb 0.16 -1.34 0.00 0.00 1.02 0.00 0.00 30.24 30.08 2wv0 n GLN 163 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 2wv0 n SER 164 N -0.35 1.01 -4.55 1.08 3.41 -0.93 -4.43 113.62 108.86 2wv0 n SER 164 Ca 0.15 0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 58.34 2wv0 n SER 164 Cb 0.17 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.06 2wv0 n SER 164 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2wv0 s SER 165 N 1.00 6.40 0.21 4.04 0.15 -1.26 -4.95 113.70 119.29 2wv0 s SER 165 Ca 0.00 -0.07 -0.10 0.00 0.70 0.00 0.00 55.95 56.48 2wv0 s SER 165 Cb 0.00 -2.35 0.15 0.00 -1.71 0.00 0.00 66.02 62.11 2wv0 s SER 165 CO 0.00 -0.78 1.86 0.40 1.20 0.00 0.00 173.24 175.91 2wv0 h ILE 166 N 5.86 1.21 -0.60 6.45 5.03 -1.93 -2.63 117.51 130.90 2wv0 h ILE 166 Ca -0.25 -0.44 0.11 0.00 -0.12 0.00 0.00 64.86 64.16 2wv0 h ILE 166 Cb 1.09 0.15 -0.08 0.00 -3.03 0.00 0.00 36.82 34.96 2wv0 h ILE 166 CO 0.91 0.21 0.16 1.88 -0.68 0.00 0.00 178.15 180.63 2wv0 h TYR 167 N 1.02 0.26 -0.55 1.37 0.99 -1.97 -0.65 116.97 117.43 2wv0 h TYR 167 Ca 0.27 0.03 -0.09 0.00 2.00 0.00 0.00 58.73 60.94 2wv0 h TYR 167 Cb -0.06 -0.02 -0.02 0.00 1.00 0.00 0.00 36.73 37.63 2wv0 h TYR 167 CO -0.01 0.01 -0.01 -0.44 -0.00 0.00 0.00 178.16 177.70 2wv0 h ASP 168 N 0.30 0.93 -0.39 3.88 5.19 -1.91 -2.36 116.42 122.06 2wv0 h ASP 168 Ca 0.31 -0.25 -0.02 0.00 -0.62 0.00 0.00 57.03 56.44 2wv0 h ASP 168 Cb 0.44 -0.25 -0.02 0.00 0.18 0.00 0.00 39.33 39.69 2wv0 h ASP 168 CO -0.37 0.99 0.15 -0.74 -3.12 0.00 0.00 179.24 176.15 2wv0 h HIS 169 N 0.88 0.59 -0.27 4.55 2.76 -1.03 -0.97 115.15 121.65 2wv0 h HIS 169 Ca 0.16 -0.05 -0.07 0.00 -2.20 0.00 0.00 60.37 58.21 2wv0 h HIS 169 Cb 0.53 -0.18 -0.02 0.00 1.55 0.00 0.00 27.41 29.30 2wv0 h HIS 169 CO 0.03 0.54 -0.12 0.82 -1.30 0.00 0.00 177.93 177.90 2wv0 h ILE 170 N 0.48 1.22 -0.22 6.26 2.04 -1.04 0.59 117.51 126.84 2wv0 h ILE 170 Ca 0.13 -0.98 -0.13 0.00 1.00 0.00 0.00 64.86 64.88 2wv0 h ILE 170 Cb 0.20 1.15 0.00 0.00 -0.74 0.00 0.00 36.82 37.43 2wv0 h ILE 170 CO -0.01 0.32 -0.38 -0.33 0.00 0.00 0.00 178.15 177.75 2wv0 h GLU 171 N 0.43 0.64 -0.36 2.37 5.08 -1.34 -2.45 114.58 118.94 2wv0 h GLU 171 Ca 0.08 -0.40 -0.06 0.00 -1.00 0.00 0.00 59.36 57.98 2wv0 h GLU 171 Cb 0.47 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 2wv0 h GLU 171 CO 0.03 1.01 -0.01 0.00 -1.00 0.00 0.00 179.01 179.04 2wv0 h ARG 172 N 0.33 0.64 -0.47 2.33 3.08 -0.81 0.14 114.38 119.62 2wv0 h ARG 172 Ca 0.01 -0.21 -0.03 0.00 0.07 0.00 0.00 59.98 59.83 2wv0 h ARG 172 Cb 0.97 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.94 2wv0 h ARG 172 CO 0.09 0.76 0.16 -0.92 -1.07 0.00 0.00 179.97 178.98 2wv0 h TYR 173 N 0.45 0.68 0.00 3.04 5.03 0.10 -3.28 116.97 122.99 2wv0 h TYR 173 Ca 0.10 -0.04 0.00 0.00 2.58 0.00 0.00 58.73 61.38 2wv0 h TYR 173 Cb 0.47 -0.21 0.00 0.00 1.55 0.00 0.00 36.73 38.54 2wv0 h TYR 173 CO 0.04 0.55 -1.69 0.09 -1.32 0.00 0.00 178.16 175.83 2wv0 n ASN 174 N -4.34 0.67 -1.76 -2.11 3.02 -0.92 -4.99 115.26 104.82 2wv0 n ASN 174 Ca 0.03 -0.18 -0.20 0.00 -0.03 0.00 0.00 54.58 54.21 2wv0 n ASN 174 Cb 0.17 1.71 -0.07 0.00 -0.61 0.00 0.00 39.78 40.98 2wv0 n ASN 174 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 2wv0 n SER 175 N -2.03 -5.31 -4.05 6.41 7.64 0.47 -4.97 113.62 111.77 2wv0 n SER 175 Ca -0.02 0.38 -0.25 0.00 1.01 0.00 0.00 58.87 59.99 2wv0 n SER 175 Cb 0.46 -4.65 -0.16 0.00 -1.01 0.00 0.00 64.21 58.85 2wv0 n SER 175 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2wv0 s ILE 176 N -2.75 1.19 0.56 0.44 1.01 -1.24 -5.07 121.20 115.34 2wv0 s ILE 176 Ca 0.00 -0.54 -0.19 0.00 0.00 0.00 0.00 60.65 59.92 2wv0 s ILE 176 Cb 0.00 -1.06 -0.05 0.00 0.01 0.00 0.00 42.46 41.36 2wv0 s ILE 176 CO 0.00 0.36 1.14 -2.84 0.00 0.00 0.00 174.94 173.60 2wv0 s PRO 177 N 0.43 3.25 0.21 2.79 0.02 -1.26 -4.51 135.00 135.93 2wv0 s PRO 177 Ca -0.10 1.64 -0.30 0.00 0.02 0.00 0.00 61.00 62.26 2wv0 s PRO 177 Cb -0.14 -1.99 -0.09 0.00 0.02 0.00 0.00 34.50 32.31 2wv0 s PRO 177 CO 0.03 -0.94 1.33 0.42 -0.33 0.00 0.00 177.00 177.51 2wv0 s ILE 178 N -1.77 3.11 -0.14 2.83 1.01 -1.26 -0.59 121.20 124.39 2wv0 s ILE 178 Ca 0.73 0.93 -0.09 0.00 0.00 0.00 0.00 60.65 62.22 2wv0 s ILE 178 Cb -0.25 -3.59 -0.06 0.00 0.01 0.00 0.00 42.46 38.57 2wv0 s ILE 178 CO 0.29 0.14 -0.21 -0.24 0.00 0.00 0.00 174.94 174.92 2wv0 n SER 179 N 2.48 1.25 -3.57 3.58 2.88 -0.19 -4.74 113.62 115.32 2wv0 n SER 179 Ca 0.06 0.21 -0.09 0.00 -1.33 0.00 0.00 58.87 57.72 2wv0 n SER 179 Cb 0.42 -0.50 -0.02 0.00 -0.75 0.00 0.00 64.21 63.36 2wv0 n SER 179 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2wv0 s ARG 180 N -2.35 1.26 0.07 -1.46 1.70 -1.21 -5.00 118.95 111.97 2wv0 s ARG 180 Ca -0.22 -0.55 0.03 0.00 -0.47 0.00 0.00 55.73 54.52 2wv0 s ARG 180 Cb 0.07 0.52 -0.03 0.00 -0.57 0.00 0.00 34.95 34.94 2wv0 s ARG 180 CO 0.28 -0.56 -0.09 0.00 -1.08 0.00 0.00 175.30 173.86 2wv0 s ALA 181 N -3.57 0.87 -0.24 7.88 0.00 -1.26 -0.73 121.76 124.71 2wv0 s ALA 181 Ca 0.05 -1.05 -0.05 0.00 0.00 0.00 0.00 51.96 50.91 2wv0 s ALA 181 Cb -0.02 0.06 -0.02 0.00 0.00 0.00 0.00 23.12 23.14 2wv0 s ALA 181 CO -0.06 -0.06 0.01 0.21 0.00 0.00 0.00 175.76 175.85 2wv0 s LYS 182 N -2.50 3.48 -0.05 0.00 2.20 -0.40 -4.99 119.74 117.48 2wv0 s LYS 182 Ca 0.00 -0.58 0.04 0.00 -0.36 0.00 0.00 55.97 55.08 2wv0 s LYS 182 Cb -0.04 -3.16 -0.02 0.00 -1.51 0.00 0.00 37.83 33.09 2wv0 s LYS 182 CO -0.01 -0.21 -0.16 -0.65 -0.36 0.00 0.00 175.35 173.96 2wv0 s GLN 183 N 1.54 2.55 -0.07 4.03 -0.21 -1.26 -1.85 119.66 124.39 2wv0 s GLN 183 Ca 0.06 -0.73 0.06 0.00 0.02 0.00 0.00 55.36 54.76 2wv0 s GLN 183 Cb -0.15 -2.35 -0.01 0.00 1.00 0.00 0.00 33.01 31.50 2wv0 s GLN 183 CO -0.00 0.57 -0.24 -2.00 -2.12 0.00 0.00 175.29 171.49 2wv0 s GLU 184 N -0.59 2.64 -0.05 2.91 2.12 -0.39 -5.00 118.70 120.35 2wv0 s GLU 184 Ca 0.08 -0.89 0.04 0.00 0.36 0.00 0.00 54.97 54.56 2wv0 s GLU 184 Cb -0.11 -2.20 -0.00 0.00 0.26 0.00 0.00 34.13 32.08 2wv0 s GLU 184 CO 0.01 0.35 -0.17 -0.51 -0.54 0.00 0.00 175.26 174.40 2wv0 s LEU 185 N -0.09 1.89 -0.07 2.70 1.02 -1.26 -1.37 118.68 121.51 2wv0 s LEU 185 Ca -0.06 -0.36 -0.05 0.00 0.02 0.00 0.00 54.13 53.69 2wv0 s LEU 185 Cb -0.14 -0.98 0.03 0.00 0.02 0.00 0.00 46.19 45.11 2wv0 s LEU 185 CO 0.04 0.14 0.17 -0.70 0.02 0.00 0.00 176.35 176.02 2wv0 s GLU 186 N 0.14 0.16 0.50 1.70 2.12 -0.76 -5.01 118.70 117.55 2wv0 s GLU 186 Ca -0.06 0.30 -0.18 0.00 0.36 0.00 0.00 54.97 55.39 2wv0 s GLU 186 Cb -0.12 -0.00 -0.08 0.00 0.26 0.00 0.00 34.13 34.18 2wv0 s GLU 186 CO 0.03 -0.08 0.99 -1.25 -0.54 0.00 0.00 175.26 174.41 2wv0 s PRO 187 N 0.50 3.93 0.13 4.30 0.04 -1.26 -0.40 135.00 142.24 2wv0 s PRO 187 Ca -0.03 1.05 -0.04 0.00 0.04 0.00 0.00 61.00 62.01 2wv0 s PRO 187 Cb -0.05 -2.13 0.02 0.00 0.04 0.00 0.00 34.50 32.38 2wv0 s PRO 187 CO -0.02 -0.29 0.24 0.45 0.04 0.00 0.00 177.00 177.42 2wv0 n SER 188 N -1.38 -0.71 -4.27 6.66 2.88 0.01 -4.85 113.62 111.97 2wv0 n SER 188 Ca 0.07 -1.57 -0.32 0.00 -1.33 0.00 0.00 58.87 55.72 2wv0 n SER 188 Cb 0.54 1.20 -0.16 0.00 -0.75 0.00 0.00 64.21 65.03 2wv0 n SER 188 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2wv0 s ALA 189 N -1.52 2.18 0.21 -1.46 0.00 -1.26 -1.49 121.76 118.41 2wv0 s ALA 189 Ca 0.07 -1.04 -0.32 0.00 0.00 0.00 0.00 51.96 50.67 2wv0 s ALA 189 Cb -0.01 -0.69 -0.11 0.00 0.00 0.00 0.00 23.12 22.30 2wv0 s ALA 189 CO 0.05 0.41 1.65 0.00 0.00 0.00 0.00 175.76 177.87 2wv0 s ALA 190 N -0.13 3.86 0.99 0.00 0.00 -0.35 -4.74 121.76 121.39 2wv0 s ALA 190 Ca -0.05 1.51 -0.12 0.00 0.00 0.00 0.00 51.96 53.31 2wv0 s ALA 190 Cb -0.14 -3.66 0.19 0.00 0.00 0.00 0.00 23.12 19.50 2wv0 s ALA 190 CO 0.04 -0.88 1.08 0.95 0.00 0.00 0.00 175.76 176.95 2wv0 s THR 191 N 0.97 2.23 0.14 0.00 -4.23 -1.26 -0.27 115.64 113.22 2wv0 s THR 191 Ca 0.71 0.08 -0.19 0.00 -1.18 0.00 0.00 61.69 61.11 2wv0 s THR 191 Cb -0.47 -2.48 0.01 0.00 1.34 0.00 0.00 72.50 70.90 2wv0 s THR 191 CO 0.34 -0.10 1.69 0.74 -0.54 0.00 0.00 174.62 176.75 2wv0 h THR 192 N -1.92 0.71 -0.28 3.99 2.02 -1.96 0.55 112.91 116.03 2wv0 h THR 192 Ca -0.54 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.64 2wv0 h THR 192 Cb 1.32 0.71 -0.01 0.00 -1.74 0.00 0.00 68.15 68.42 2wv0 h THR 192 CO 0.55 0.00 0.18 -0.33 0.37 0.00 0.00 175.52 176.29 2wv0 h GLU 193 N -0.02 0.37 -0.11 6.66 3.07 -2.00 -1.45 114.58 121.10 2wv0 h GLU 193 Ca 0.13 -0.03 -0.00 0.00 -0.50 0.00 0.00 59.36 58.96 2wv0 h GLU 193 Cb 0.21 -0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 28.04 2wv0 h GLU 193 CO -0.28 0.26 0.06 0.93 -1.40 0.00 0.00 179.01 178.58 2wv0 h GLU 194 N 0.37 0.16 -0.31 2.33 5.08 -1.89 -2.63 114.58 117.69 2wv0 h GLU 194 Ca 0.10 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 2wv0 h GLU 194 Cb -0.03 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.18 2wv0 h GLU 194 CO -0.02 0.22 0.21 0.00 -1.00 0.00 0.00 179.01 178.41 2wv0 h ALA 195 N 0.94 0.39 -0.18 3.43 0.00 -0.79 0.39 119.26 123.43 2wv0 h ALA 195 Ca 0.04 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 54.97 2wv0 h ALA 195 Cb 0.11 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 17.72 2wv0 h ALA 195 CO -0.01 -0.14 -0.14 -0.91 0.00 0.00 0.00 179.25 178.06 2wv0 h ASN 196 N 0.42 -0.44 -0.46 0.00 2.35 -1.24 0.68 115.58 116.90 2wv0 h ASN 196 Ca 0.11 0.09 -0.11 0.00 -0.55 0.00 0.00 56.30 55.84 2wv0 h ASN 196 Cb -0.05 0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.53 2wv0 h ASN 196 CO -0.02 -0.18 -0.14 0.40 -1.65 0.00 0.00 177.43 175.84 2wv0 h ILE 197 N -0.14 1.27 0.00 2.81 2.04 -1.23 -3.01 117.51 119.24 2wv0 h ILE 197 Ca 0.11 -1.29 -0.03 0.00 1.00 0.00 0.00 64.86 64.65 2wv0 h ILE 197 Cb 0.30 1.04 -0.00 0.00 -0.74 0.00 0.00 36.82 37.42 2wv0 h ILE 197 CO -0.27 0.45 -0.14 -0.07 0.00 0.00 0.00 178.15 178.12 2wv0 h LEU 198 N 0.84 0.00 -0.25 1.44 3.38 -0.69 -3.46 115.31 116.58 2wv0 h LEU 198 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 2wv0 h LEU 198 Cb 0.69 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.44 2wv0 h LEU 198 CO 0.05 0.14 0.00 0.61 0.09 0.00 0.00 178.44 179.33 2wv0 n GLY 199 N 0.57 0.72 3.53 0.83 0.00 0.12 -4.62 105.19 106.33 2wv0 n GLY 199 Ca 0.02 -0.70 -0.25 0.00 0.00 0.00 0.00 46.02 45.09 2wv0 n GLY 199 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2wv0 s ILE 200 N -2.25 1.28 0.37 -0.61 -4.36 -0.51 -5.05 121.20 110.07 2wv0 s ILE 200 Ca 0.00 -2.00 -0.26 0.00 -0.26 0.00 0.00 60.65 58.13 2wv0 s ILE 200 Cb 0.00 -2.72 -0.09 0.00 1.25 0.00 0.00 42.46 40.90 2wv0 s ILE 200 CO 0.00 0.00 1.09 -1.10 0.24 0.00 0.00 174.94 175.17 2wv0 s GLN 201 N -3.83 4.28 0.10 0.37 -0.21 -1.26 -4.26 119.66 114.84 2wv0 s GLN 201 Ca 0.32 1.66 -0.36 0.00 0.02 0.00 0.00 55.36 56.99 2wv0 s GLN 201 Cb 0.07 -2.75 -0.16 0.00 1.00 0.00 0.00 33.01 31.17 2wv0 s GLN 201 CO 0.15 -0.07 1.35 1.17 -2.12 0.00 0.00 175.29 175.76 2wv0 n LYS 202 N 0.31 1.22 -0.79 2.91 4.81 -1.26 -1.70 118.16 123.66 2wv0 n LYS 202 Ca 0.03 0.44 0.00 0.00 -0.87 0.00 0.00 58.31 57.91 2wv0 n LYS 202 Cb 0.48 -2.08 0.00 0.00 0.02 0.00 0.00 35.03 33.44 2wv0 n LYS 202 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2wv0 n GLY 203 N 2.56 0.84 3.77 3.14 0.00 0.62 -4.91 105.19 111.20 2wv0 n GLY 203 Ca 0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.85 2wv0 n GLY 203 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wv0 s ALA 204 N -3.27 2.69 0.24 4.61 0.00 -0.69 -4.29 121.76 121.05 2wv0 s ALA 204 Ca 0.00 0.88 -0.31 0.00 0.00 0.00 0.00 51.96 52.53 2wv0 s ALA 204 Cb 0.00 -3.38 -0.13 0.00 0.00 0.00 0.00 23.12 19.61 2wv0 s ALA 204 CO 0.00 -0.84 1.50 -2.30 0.00 0.00 0.00 175.76 174.12 2wv0 n PRO 205 N -1.27 2.27 -4.22 0.00 -0.02 -1.26 -1.21 135.00 129.29 2wv0 n PRO 205 Ca 0.12 0.81 -0.13 0.00 -2.02 0.00 0.00 63.50 62.28 2wv0 n PRO 205 Cb 0.50 -2.53 -0.10 0.00 -0.02 0.00 0.00 33.50 31.35 2wv0 n PRO 205 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 2wv0 s VAL 206 N 0.17 0.73 -0.20 -1.45 -7.23 -0.55 -1.84 120.40 110.04 2wv0 s VAL 206 Ca 0.69 -1.97 -0.03 0.00 -1.81 0.00 0.00 61.98 58.86 2wv0 s VAL 206 Cb -0.60 -1.95 -0.01 0.00 0.56 0.00 0.00 36.38 34.38 2wv0 s VAL 206 CO 0.47 -0.63 -0.06 -0.22 -0.31 0.00 0.00 175.10 174.34 2wv0 s LEU 207 N -3.13 2.92 -0.21 1.32 0.20 -0.24 -0.81 118.68 118.73 2wv0 s LEU 207 Ca 0.19 -0.34 -0.23 0.00 0.69 0.00 0.00 54.13 54.44 2wv0 s LEU 207 Cb 0.05 -1.72 -0.02 0.00 -0.43 0.00 0.00 46.19 44.07 2wv0 s LEU 207 CO 0.01 0.04 0.75 -0.76 -0.29 0.00 0.00 176.35 176.09 2wv0 s LEU 208 N 1.12 4.12 -0.17 -0.68 1.02 0.47 -0.74 118.68 123.83 2wv0 s LEU 208 Ca 0.01 0.97 0.01 0.00 0.02 0.00 0.00 54.13 55.15 2wv0 s LEU 208 Cb -0.15 -3.07 0.02 0.00 0.02 0.00 0.00 46.19 43.01 2wv0 s LEU 208 CO -0.01 -0.39 -0.19 -0.63 0.02 0.00 0.00 176.35 175.15 2wv0 s ILE 209 N 2.32 1.94 -0.21 -0.59 1.01 -0.31 -1.83 121.20 123.54 2wv0 s ILE 209 Ca 0.33 -0.87 -0.04 0.00 0.00 0.00 0.00 60.65 60.07 2wv0 s ILE 209 Cb -0.16 -1.76 -0.01 0.00 0.01 0.00 0.00 42.46 40.54 2wv0 s ILE 209 CO 0.10 0.52 -0.04 -0.75 0.00 0.00 0.00 174.94 174.77 2wv0 s LYS 210 N 1.25 3.43 -0.05 2.79 2.20 -0.47 -0.02 119.74 128.88 2wv0 s LYS 210 Ca 0.03 -0.61 0.03 0.00 -0.36 0.00 0.00 55.97 55.06 2wv0 s LYS 210 Cb -0.13 -2.99 0.01 0.00 -1.51 0.00 0.00 37.83 33.20 2wv0 s LYS 210 CO -0.11 -0.12 -0.12 0.50 -0.36 0.00 0.00 175.35 175.15 2wv0 s ARG 211 N 1.27 1.46 -0.16 4.03 3.52 0.66 -1.26 118.95 128.47 2wv0 s ARG 211 Ca 0.03 -0.41 -0.02 0.00 -0.13 0.00 0.00 55.73 55.20 2wv0 s ARG 211 Cb -0.14 -1.26 -0.02 0.00 -1.56 0.00 0.00 34.95 31.97 2wv0 s ARG 211 CO -0.01 0.09 -0.08 0.99 -0.81 0.00 0.00 175.30 175.48 2wv0 s THR 212 N 0.41 3.40 -0.04 4.11 2.01 -0.77 0.23 115.64 124.99 2wv0 s THR 212 Ca -0.09 -0.52 0.06 0.00 0.31 0.00 0.00 61.69 61.46 2wv0 s THR 212 Cb -0.13 -2.48 -0.01 0.00 0.01 0.00 0.00 72.50 69.89 2wv0 s THR 212 CO 0.02 0.48 -0.24 -0.89 -0.69 0.00 0.00 174.62 173.30 2wv0 s THR 213 N 0.69 1.97 0.13 -0.82 2.01 -0.12 -1.27 115.64 118.22 2wv0 s THR 213 Ca -0.04 -1.04 0.09 0.00 0.31 0.00 0.00 61.69 61.01 2wv0 s THR 213 Cb -0.15 -1.66 -0.04 0.00 0.01 0.00 0.00 72.50 70.66 2wv0 s THR 213 CO 0.02 0.55 -0.15 -0.31 -0.69 0.00 0.00 174.62 174.04 2wv0 s TYR 214 N -0.29 2.58 0.57 4.92 2.02 0.09 -0.91 117.35 126.35 2wv0 s TYR 214 Ca 0.01 -0.24 -0.08 0.00 -0.37 0.00 0.00 57.07 56.38 2wv0 s TYR 214 Cb -0.12 -1.35 -0.03 0.00 -0.40 0.00 0.00 41.96 40.06 2wv0 s TYR 214 CO 0.02 0.42 0.93 -0.51 -1.57 0.00 0.00 175.55 174.84 2wv0 s LEU 215 N -2.28 3.35 0.55 -1.29 1.43 0.87 -1.03 118.68 120.28 2wv0 s LEU 215 Ca 0.20 1.15 0.32 0.00 -1.03 0.00 0.00 54.13 54.77 2wv0 s LEU 215 Cb -0.10 -4.12 1.49 0.00 0.03 0.00 0.00 46.19 43.48 2wv0 s LEU 215 CO 0.12 -0.82 1.86 -0.61 0.23 0.00 0.00 176.35 177.13 2wv0 h GLN 216 N -0.13 0.00 -0.00 1.70 4.15 -1.14 0.20 115.11 119.89 2wv0 h GLN 216 Ca -0.45 0.00 0.00 0.00 0.77 0.00 0.00 58.65 58.97 2wv0 h GLN 216 Cb 1.21 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.90 2wv0 h GLN 216 CO 0.62 0.00 -0.05 0.27 -1.93 0.00 0.00 178.83 177.74 2wv0 n ASN 217 N -4.17 0.18 0.00 -0.69 0.23 -1.26 -4.93 115.26 104.61 2wv0 n ASN 217 Ca 0.19 -0.32 0.00 0.00 -0.53 0.00 0.00 54.58 53.92 2wv0 n ASN 217 Cb 1.01 -0.19 0.00 0.00 -2.08 0.00 0.00 39.78 38.51 2wv0 n ASN 217 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2wv0 n GLY 218 N 1.28 1.99 3.70 4.83 0.00 0.69 -5.07 105.19 112.62 2wv0 n GLY 218 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 2wv0 n GLY 218 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2wv0 s THR 219 N -2.42 3.34 -0.03 2.61 2.01 -1.26 -4.72 115.64 115.17 2wv0 s THR 219 Ca 0.00 0.88 -0.30 0.00 0.31 0.00 0.00 61.69 62.58 2wv0 s THR 219 Cb 0.00 -3.57 -0.03 0.00 0.01 0.00 0.00 72.50 68.91 2wv0 s THR 219 CO 0.00 0.04 1.12 0.00 -0.69 0.00 0.00 174.62 175.08 2wv0 s ALA 220 N 1.71 3.39 -0.02 7.40 0.00 -1.26 -0.09 121.76 132.89 2wv0 s ALA 220 Ca 0.66 0.59 0.12 0.00 0.00 0.00 0.00 51.96 53.34 2wv0 s ALA 220 Cb -0.36 -3.45 -0.19 0.00 0.00 0.00 0.00 23.12 19.12 2wv0 s ALA 220 CO 0.29 -0.56 0.26 1.97 0.00 0.00 0.00 175.76 177.72 2wv0 n PHE 221 N 4.67 0.00 -3.80 0.00 -1.74 -0.08 -4.89 117.46 111.61 2wv0 n PHE 221 Ca 0.09 0.00 -0.13 0.00 -0.56 0.00 0.00 57.45 56.85 2wv0 n PHE 221 Cb 0.48 -0.30 -0.14 0.00 1.52 0.00 0.00 39.48 41.03 2wv0 n PHE 221 CO 0.00 0.00 0.00 -2.00 -0.56 0.00 0.00 176.76 174.20 2wv0 s GLU 222 N -2.83 0.08 -0.20 3.97 2.12 -1.19 -4.11 118.70 116.54 2wv0 s GLU 222 Ca -0.05 0.22 0.01 0.00 0.36 0.00 0.00 54.97 55.52 2wv0 s GLU 222 Cb 0.08 -0.07 0.04 0.00 0.26 0.00 0.00 34.13 34.44 2wv0 s GLU 222 CO 0.52 -0.09 -0.13 -1.58 -0.54 0.00 0.00 175.26 173.44 2wv0 s HIS 223 N 0.57 2.64 -0.04 5.30 5.65 -0.83 -0.95 115.29 127.64 2wv0 s HIS 223 Ca -0.04 -1.71 0.06 0.00 0.25 0.00 0.00 55.06 53.62 2wv0 s HIS 223 Cb -0.06 -1.76 -0.01 0.00 -1.18 0.00 0.00 32.58 29.57 2wv0 s HIS 223 CO -0.02 -0.78 -0.24 0.00 -0.65 0.00 0.00 174.74 173.05 2wv0 s ALA 224 N 1.32 2.01 -0.10 1.58 0.00 0.14 -0.94 121.76 125.78 2wv0 s ALA 224 Ca -0.01 -1.00 0.03 0.00 0.00 0.00 0.00 51.96 50.98 2wv0 s ALA 224 Cb -0.16 -0.58 -0.01 0.00 0.00 0.00 0.00 23.12 22.37 2wv0 s ALA 224 CO -0.09 0.43 -0.19 0.15 0.00 0.00 0.00 175.76 176.06 2wv0 s LYS 225 N -0.31 3.04 0.07 0.00 1.02 -0.50 -0.24 119.74 122.83 2wv0 s LYS 225 Ca 0.02 -0.78 0.04 0.00 0.02 0.00 0.00 55.97 55.26 2wv0 s LYS 225 Cb -0.12 -2.42 -0.03 0.00 -0.52 0.00 0.00 37.83 34.74 2wv0 s LYS 225 CO 0.02 0.28 -0.11 -1.12 -0.92 0.00 0.00 175.35 173.50 2wv0 s SER 226 N 0.14 1.36 -0.19 2.83 0.01 0.98 -0.75 113.70 118.07 2wv0 s SER 226 Ca -0.10 -0.69 0.01 0.00 1.31 0.00 0.00 55.95 56.48 2wv0 s SER 226 Cb -0.16 -0.00 0.02 0.00 0.21 0.00 0.00 66.02 66.09 2wv0 s SER 226 CO 0.06 -0.19 -0.18 -0.69 0.41 0.00 0.00 173.24 172.65 2wv0 s VAL 227 N -1.83 2.20 -0.12 3.43 1.01 -0.01 -1.16 120.40 123.93 2wv0 s VAL 227 Ca -0.01 -0.96 -0.03 0.00 0.00 0.00 0.00 61.98 60.99 2wv0 s VAL 227 Cb -0.07 -1.97 -0.03 0.00 0.00 0.00 0.00 36.38 34.32 2wv0 s VAL 227 CO 0.01 0.48 -0.03 -0.31 0.00 0.00 0.00 175.10 175.25 2wv0 s TYR 228 N 1.29 3.05 -0.22 5.22 2.02 0.08 -1.00 117.35 127.80 2wv0 s TYR 228 Ca 0.04 -0.09 -0.36 0.00 -0.37 0.00 0.00 57.07 56.29 2wv0 s TYR 228 Cb -0.14 -1.87 -0.12 0.00 -0.40 0.00 0.00 41.96 39.43 2wv0 s TYR 228 CO -0.11 0.17 1.96 0.54 -1.57 0.00 0.00 175.55 176.54 2wv0 n ARG 229 N 2.93 1.60 0.27 -0.62 1.74 -0.60 -1.08 116.66 120.90 2wv0 n ARG 229 Ca -0.18 0.55 0.13 0.00 -0.77 0.00 0.00 57.85 57.58 2wv0 n ARG 229 Cb 0.53 -2.50 0.79 0.00 -1.02 0.00 0.00 32.46 30.26 2wv0 n ARG 229 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 2wv0 h GLY 230 N 10.03 0.00 1.83 -0.13 0.00 -1.64 -1.25 103.07 111.91 2wv0 h GLY 230 Ca -0.41 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.92 2wv0 h GLY 230 CO 0.97 0.00 -0.15 1.29 0.00 0.00 0.00 176.54 178.66 2wv0 h ASP 231 N 0.00 0.00 0.00 0.19 2.03 -1.90 -3.36 116.42 113.38 2wv0 h ASP 231 Ca -0.00 -0.02 0.00 0.00 -0.73 0.00 0.00 57.03 56.28 2wv0 h ASP 231 Cb 0.19 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.69 2wv0 h ASP 231 CO 0.01 0.01 -1.13 0.54 -1.03 0.00 0.00 179.24 177.64 2wv0 n ARG 232 N -2.66 0.89 -4.91 4.15 1.74 -1.01 -5.03 116.66 109.84 2wv0 n ARG 232 Ca 0.04 -0.05 -0.32 0.00 -0.77 0.00 0.00 57.85 56.76 2wv0 n ARG 232 Cb 0.49 -1.09 -0.17 0.00 -1.02 0.00 0.00 32.46 30.67 2wv0 n ARG 232 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 2wv0 s TYR 233 N -2.30 2.54 -0.05 -1.55 6.14 -0.50 -5.07 117.35 116.56 2wv0 s TYR 233 Ca -0.02 -1.17 0.07 0.00 0.64 0.00 0.00 57.07 56.59 2wv0 s TYR 233 Cb 0.04 -1.72 -0.01 0.00 0.42 0.00 0.00 41.96 40.68 2wv0 s TYR 233 CO 0.25 -0.51 -0.25 0.99 0.64 0.00 0.00 175.55 176.68 2wv0 s THR 234 N 0.60 2.02 -0.12 4.34 2.01 -1.26 -4.70 115.64 118.53 2wv0 s THR 234 Ca -0.13 -1.06 -0.22 0.00 0.31 0.00 0.00 61.69 60.60 2wv0 s THR 234 Cb -0.17 -1.70 -0.03 0.00 0.01 0.00 0.00 72.50 70.61 2wv0 s THR 234 CO 0.03 0.56 0.65 0.12 -0.69 0.00 0.00 174.62 175.29 2wv0 s PHE 235 N -0.27 3.49 -0.06 4.92 2.19 -1.26 -5.07 117.98 121.93 2wv0 s PHE 235 Ca 0.00 1.09 0.02 0.00 0.33 0.00 0.00 56.93 58.37 2wv0 s PHE 235 Cb -0.13 -2.77 0.02 0.00 -1.31 0.00 0.00 43.02 38.83 2wv0 s PHE 235 CO 0.02 0.00 -0.10 0.08 1.83 0.00 0.00 175.22 177.05 2wv0 s VAL 236 N 1.20 0.95 -0.22 3.12 1.01 -1.26 -5.13 120.40 120.07 2wv0 s VAL 236 Ca 0.33 -0.37 -0.26 0.00 0.00 0.00 0.00 61.98 61.67 2wv0 s VAL 236 Cb -0.17 -0.89 0.08 0.00 0.00 0.00 0.00 36.38 35.40 2wv0 s VAL 236 CO 0.14 0.31 0.76 -2.28 0.00 0.00 0.00 175.10 174.03 2wv0 s HIS 237 N 0.72 -0.71 0.24 5.22 5.04 -1.26 -4.67 115.29 119.86 2wv0 s HIS 237 Ca -0.14 1.63 -0.27 0.00 -1.54 0.00 0.00 55.06 54.75 2wv0 s HIS 237 Cb -0.15 0.32 -0.09 0.00 0.04 0.00 0.00 32.58 32.69 2wv0 s HIS 237 CO 0.03 -0.41 0.87 0.71 -2.34 0.00 0.00 174.74 173.60 2wv0 s TYR 238 N -0.01 3.86 -0.05 3.88 2.02 0.42 -5.05 117.35 122.43 2wv0 s TYR 238 Ca -0.02 1.75 0.03 0.00 -0.37 0.00 0.00 57.07 58.47 2wv0 s TYR 238 Cb -0.04 -2.87 0.00 0.00 -0.40 0.00 0.00 41.96 38.66 2wv0 s TYR 238 CO 0.02 0.41 -0.15 -1.64 -1.57 0.00 0.00 175.55 172.62 2wv0 s MET 239 N -1.45 1.67 -0.14 -0.62 -1.94 -1.26 -4.82 119.30 110.74 2wv0 s MET 239 Ca 0.42 -0.52 -0.10 0.00 -1.71 0.00 0.00 55.69 53.78 2wv0 s MET 239 Cb -0.23 -1.43 -0.05 0.00 2.01 0.00 0.00 34.83 35.14 2wv0 s MET 239 CO 0.27 0.17 0.19 -0.51 -0.01 0.00 0.00 175.02 175.13 2wv0 s ASP 240 N 0.22 6.39 -0.19 3.03 1.11 -1.26 -5.06 116.67 120.91 2wv0 s ASP 240 Ca -0.07 0.46 -0.29 0.00 0.18 0.00 0.00 52.55 52.83 2wv0 s ASP 240 Cb -0.12 -2.11 -0.00 0.00 1.07 0.00 0.00 42.92 41.76 2wv0 s ASP 240 CO 0.02 0.29 1.08 -0.60 1.18 0.00 0.00 175.17 177.14 2wv0 s ARG 241 N -0.40 4.29 0.00 8.23 3.52 -1.26 -5.35 118.95 127.98 2wv0 s ARG 241 Ca 0.14 1.44 0.21 0.00 -0.13 0.00 0.00 55.73 57.39 2wv0 s ARG 241 Cb -0.12 -3.64 1.27 0.00 -1.56 0.00 0.00 34.95 30.90 2wv0 s ARG 241 CO 0.03 -0.58 1.65 1.28 -0.81 0.00 0.00 175.30 176.88