#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b3b s LYS 2 N 0.00 0.65 -0.14 0.03 1.02 -1.26 -0.32 119.74 119.72 2b3b s LYS 2 Ca 0.00 -1.16 -0.05 0.00 0.02 0.00 0.00 55.97 54.77 2b3b s LYS 2 Cb 0.00 0.03 0.06 0.00 -0.52 0.00 0.00 37.83 37.41 2b3b s LYS 2 CO 0.00 -0.06 0.28 -1.17 -0.92 0.00 0.00 175.35 173.48 2b3b s LEU 3 N -2.72 -0.23 -0.27 3.17 2.96 -0.71 -4.78 118.68 116.10 2b3b s LEU 3 Ca 0.05 0.64 -0.06 0.00 -0.22 0.00 0.00 54.13 54.54 2b3b s LEU 3 Cb 0.04 0.81 0.00 0.00 0.50 0.00 0.00 46.19 47.54 2b3b s LEU 3 CO -0.07 -0.23 0.05 -0.70 -1.32 0.00 0.00 176.35 174.08 2b3b s GLU 4 N 2.23 3.23 -0.22 1.98 2.12 -1.26 0.15 118.70 126.92 2b3b s GLU 4 Ca -0.01 -0.76 -0.05 0.00 0.36 0.00 0.00 54.97 54.51 2b3b s GLU 4 Cb -0.12 -3.27 -0.02 0.00 0.26 0.00 0.00 34.13 30.99 2b3b s GLU 4 CO -0.09 -0.35 0.00 0.42 -0.54 0.00 0.00 175.26 174.70 2b3b s ILE 5 N 1.50 3.83 -0.17 -3.70 1.01 -0.45 -2.33 121.20 120.89 2b3b s ILE 5 Ca 0.04 -0.35 -0.07 0.00 0.00 0.00 0.00 60.65 60.28 2b3b s ILE 5 Cb -0.16 -2.75 -0.04 0.00 0.01 0.00 0.00 42.46 39.52 2b3b s ILE 5 CO 0.01 0.41 0.05 0.12 0.00 0.00 0.00 174.94 175.53 2b3b s PHE 6 N 1.30 3.25 0.28 3.97 5.36 -0.56 -0.89 117.98 130.69 2b3b s PHE 6 Ca 0.04 0.09 -0.19 0.00 -0.96 0.00 0.00 56.93 55.91 2b3b s PHE 6 Cb -0.15 -2.03 0.06 0.00 -0.34 0.00 0.00 43.02 40.57 2b3b s PHE 6 CO 0.01 0.22 0.89 -1.54 -1.46 0.00 0.00 175.22 173.34 2b3b s SER 7 N 0.13 -0.02 -0.24 6.13 1.04 -1.05 -0.62 113.70 119.06 2b3b s SER 7 Ca 0.04 -0.88 0.13 0.00 0.48 0.00 0.00 55.95 55.72 2b3b s SER 7 Cb -0.12 0.68 0.51 0.00 0.10 0.00 0.00 66.02 67.19 2b3b s SER 7 CO 0.01 -1.34 1.45 -2.67 0.98 0.00 0.00 173.24 171.66 2b3b n TRP 8 N -0.59 1.04 -1.93 5.02 2.14 -1.26 -0.82 117.44 121.03 2b3b n TRP 8 Ca -0.06 -1.26 -0.41 0.00 2.07 0.00 0.00 57.50 57.84 2b3b n TRP 8 Cb 0.60 -0.41 -0.01 0.00 -0.81 0.00 0.00 31.31 30.68 2b3b n TRP 8 CO 0.00 0.00 0.00 0.91 2.07 0.00 0.00 177.69 180.67 2b3b n TRP 9 N -0.87 2.69 -3.18 -2.67 8.01 -1.26 -4.59 117.44 115.56 2b3b n TRP 9 Ca 0.28 -2.87 -0.24 0.00 -1.31 0.00 0.00 57.50 53.36 2b3b n TRP 9 Cb 0.98 -2.01 -0.00 0.00 -2.01 0.00 0.00 31.31 28.26 2b3b n TRP 9 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 2b3b s ALA 10 N 0.00 3.68 0.00 6.99 0.00 -1.26 -3.02 121.76 128.15 2b3b s ALA 10 Ca 0.53 -0.90 0.00 0.00 0.00 0.00 0.00 51.96 51.59 2b3b s ALA 10 Cb 0.16 -2.18 0.00 0.00 0.00 0.00 0.00 23.12 21.11 2b3b s ALA 10 CO -0.07 -0.15 0.00 0.41 0.00 0.00 0.00 175.76 175.95 2b3b n GLY 11 N -1.92 3.71 0.00 0.00 0.00 -1.26 -1.46 105.19 104.25 2b3b n GLY 11 Ca -0.03 0.02 0.14 0.00 0.00 0.00 0.00 46.02 46.15 2b3b n GLY 11 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2b3b n ASP 12 N 5.81 0.00 -0.07 1.61 5.68 -1.26 -1.46 116.55 126.86 2b3b n ASP 12 Ca 0.00 -0.56 0.13 0.00 -0.50 0.00 0.00 54.79 53.87 2b3b n ASP 12 Cb 0.00 -0.12 0.47 0.00 -1.14 0.00 0.00 41.12 40.33 2b3b n ASP 12 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 2b3b n GLU 13 N -1.12 0.34 0.17 0.11 1.02 -0.54 -4.49 120.64 116.13 2b3b n GLU 13 Ca 0.18 -0.14 0.06 0.00 -0.02 0.00 0.00 57.16 57.23 2b3b n GLU 13 Cb 0.14 -1.50 0.13 0.00 -0.02 0.00 0.00 31.44 30.19 2b3b n GLU 13 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 2b3b h GLY 14 N 4.98 0.00 -0.41 0.62 0.00 -1.16 -3.39 103.07 103.71 2b3b h GLY 14 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 47.33 47.44 2b3b h GLY 14 CO 0.00 0.00 -0.29 -2.55 0.00 0.00 0.00 176.54 173.70 2b3b h PRO 15 N 0.00 -0.12 -0.51 4.80 0.11 -1.79 0.12 132.00 134.62 2b3b h PRO 15 Ca -0.00 0.01 0.03 0.00 0.11 0.00 0.00 66.00 66.14 2b3b h PRO 15 Cb 1.20 0.03 -0.04 0.00 0.11 0.00 0.00 31.00 32.30 2b3b h PRO 15 CO 0.04 -0.08 0.29 0.00 -0.21 0.00 0.00 178.00 178.05 2b3b h ALA 16 N 1.17 0.66 -0.61 -0.75 0.00 -1.82 -1.12 119.26 116.79 2b3b h ALA 16 Ca 0.26 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.13 2b3b h ALA 16 Cb 0.54 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 2b3b h ALA 16 CO -0.69 -0.01 0.24 1.25 0.00 0.00 0.00 179.25 180.04 2b3b h LEU 17 N 0.58 0.84 -0.95 0.00 5.85 -1.62 -2.38 115.31 117.63 2b3b h LEU 17 Ca 0.21 -0.17 -0.01 0.00 0.84 0.00 0.00 57.88 58.75 2b3b h LEU 17 Cb 0.05 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 40.82 2b3b h LEU 17 CO -0.11 0.78 0.51 -0.33 -0.34 0.00 0.00 178.44 178.95 2b3b h GLU 18 N 0.85 1.25 -0.62 1.25 5.08 -0.32 0.58 114.58 122.64 2b3b h GLU 18 Ca 0.20 -0.14 0.01 0.00 -1.00 0.00 0.00 59.36 58.43 2b3b h GLU 18 Cb 0.21 -0.25 -0.03 0.00 0.50 0.00 0.00 28.75 29.18 2b3b h GLU 18 CO -0.02 0.90 0.41 0.00 -1.00 0.00 0.00 179.01 179.30 2b3b h ALA 19 N 1.30 0.78 -0.68 3.43 0.00 -1.03 -0.86 119.26 122.20 2b3b h ALA 19 Ca 0.32 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.13 2b3b h ALA 19 Cb 0.00 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 2b3b h ALA 19 CO -0.05 0.22 0.22 -0.07 0.00 0.00 0.00 179.25 179.56 2b3b h LEU 20 N 0.84 0.97 -0.64 0.00 3.38 -0.87 -1.98 115.31 117.01 2b3b h LEU 20 Ca 0.23 -0.17 -0.10 0.00 0.09 0.00 0.00 57.88 57.93 2b3b h LEU 20 Cb -0.09 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.38 2b3b h LEU 20 CO -0.05 0.90 0.01 0.40 0.09 0.00 0.00 178.44 179.79 2b3b h ILE 21 N 1.01 1.27 -0.16 1.22 2.04 -0.49 -0.88 117.51 121.52 2b3b h ILE 21 Ca 0.22 -1.15 -0.01 0.00 1.00 0.00 0.00 64.86 64.93 2b3b h ILE 21 Cb 0.28 0.79 -0.01 0.00 -0.74 0.00 0.00 36.82 37.14 2b3b h ILE 21 CO -0.01 0.42 0.06 0.03 0.00 0.00 0.00 178.15 178.65 2b3b h ARG 22 N 0.98 0.23 -0.62 2.37 3.08 -1.00 -0.65 114.38 118.76 2b3b h ARG 22 Ca 0.17 -0.04 0.13 0.00 0.07 0.00 0.00 59.98 60.31 2b3b h ARG 22 Cb 0.55 -0.04 -0.10 0.00 0.08 0.00 0.00 29.97 30.46 2b3b h ARG 22 CO 0.03 0.33 0.05 1.25 -1.07 0.00 0.00 179.97 180.56 2b3b h LEU 23 N 0.09 -0.17 -0.28 3.04 5.85 -1.27 -0.59 115.31 121.98 2b3b h LEU 23 Ca 0.05 0.14 -0.02 0.00 0.84 0.00 0.00 57.88 58.89 2b3b h LEU 23 Cb 0.18 0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.43 2b3b h LEU 23 CO -0.00 -0.08 0.09 0.22 -0.34 0.00 0.00 178.44 178.33 2b3b h TYR 24 N 0.17 0.44 -0.54 1.25 3.20 -0.88 -2.59 116.97 118.01 2b3b h TYR 24 Ca 0.33 -0.04 0.00 0.00 3.14 0.00 0.00 58.73 62.16 2b3b h TYR 24 Cb 0.53 -0.13 -0.03 0.00 1.54 0.00 0.00 36.73 38.65 2b3b h TYR 24 CO -0.32 0.46 0.35 0.87 -1.64 0.00 0.00 178.16 177.88 2b3b h LYS 25 N 0.29 0.72 -0.40 1.82 1.57 -0.74 0.19 116.57 120.03 2b3b h LYS 25 Ca 0.09 -0.05 0.02 0.00 -1.87 0.00 0.00 60.65 58.84 2b3b h LYS 25 Cb 0.22 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.35 2b3b h LYS 25 CO -0.00 0.49 0.23 1.96 -0.57 0.00 0.00 179.45 181.55 2b3b h GLN 26 N 0.74 0.44 0.00 3.15 4.20 -0.94 -2.64 115.11 120.07 2b3b h GLN 26 Ca 0.20 -0.03 -0.15 0.00 0.06 0.00 0.00 58.65 58.73 2b3b h GLN 26 Cb -0.07 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 27.59 2b3b h GLN 26 CO -0.04 0.29 -0.74 0.87 -0.67 0.00 0.00 178.83 178.55 2b3b h LYS 27 N 0.46 0.00 -2.24 1.46 1.57 -0.95 -3.38 116.57 113.48 2b3b h LYS 27 Ca 0.16 0.00 -0.58 0.00 -1.87 0.00 0.00 60.65 58.36 2b3b h LYS 27 Cb 0.02 0.00 -0.40 0.00 0.08 0.00 0.00 32.23 31.94 2b3b h LYS 27 CO -0.08 0.74 -0.91 0.66 -0.57 0.00 0.00 179.45 179.28 2b3b n TYR 28 N -3.58 0.73 0.29 -1.35 4.01 0.58 -4.96 117.16 112.88 2b3b n TYR 28 Ca -0.00 -3.71 0.16 0.00 -0.16 0.00 0.00 57.90 54.19 2b3b n TYR 28 Cb 0.74 -0.28 0.79 0.00 -0.31 0.00 0.00 39.34 40.27 2b3b n TYR 28 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 2b3b h PRO 29 N 4.57 0.00 0.00 -0.72 0.13 -1.66 -2.60 132.00 131.72 2b3b h PRO 29 Ca 0.15 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.27 2b3b h PRO 29 Cb 0.83 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.95 2b3b h PRO 29 CO 0.55 0.00 -0.08 0.78 -0.23 0.00 0.00 178.00 179.02 2b3b h GLY 30 N 0.91 0.00 -5.87 1.56 0.00 -1.93 -3.45 103.07 94.29 2b3b h GLY 30 Ca 0.00 0.00 -0.59 0.00 0.00 0.00 0.00 47.33 46.74 2b3b h GLY 30 CO 0.00 0.00 -0.00 0.14 0.00 0.00 0.00 176.54 176.68 2b3b s VAL 31 N -3.59 5.09 -0.30 4.60 1.01 -0.98 -4.49 120.40 121.74 2b3b s VAL 31 Ca 0.02 1.07 -0.22 0.00 0.00 0.00 0.00 61.98 62.85 2b3b s VAL 31 Cb 0.09 -3.88 -0.00 0.00 0.00 0.00 0.00 36.38 32.58 2b3b s VAL 31 CO 0.59 0.20 0.72 -1.61 0.00 0.00 0.00 175.10 175.00 2b3b s GLU 32 N 1.41 3.94 -0.23 2.72 2.02 0.56 -4.93 118.70 124.19 2b3b s GLU 32 Ca 0.27 0.46 -0.18 0.00 0.02 0.00 0.00 54.97 55.54 2b3b s GLU 32 Cb -0.16 -3.73 -0.03 0.00 0.10 0.00 0.00 34.13 30.32 2b3b s GLU 32 CO 0.11 -0.63 0.50 0.08 0.02 0.00 0.00 175.26 175.34 2b3b s VAL 33 N 2.79 5.10 -0.36 2.63 1.01 -1.26 -1.74 120.40 128.57 2b3b s VAL 33 Ca 0.29 0.89 -0.16 0.00 0.00 0.00 0.00 61.98 63.00 2b3b s VAL 33 Cb -0.14 -3.82 -0.00 0.00 0.00 0.00 0.00 36.38 32.41 2b3b s VAL 33 CO 0.12 0.14 0.39 -0.63 0.00 0.00 0.00 175.10 175.12 2b3b s ILE 34 N 1.94 5.14 -1.00 2.22 1.09 0.12 -4.96 121.20 125.75 2b3b s ILE 34 Ca 0.22 -0.03 -0.18 0.00 -1.10 0.00 0.00 60.65 59.56 2b3b s ILE 34 Cb -0.15 -3.89 0.13 0.00 -1.06 0.00 0.00 42.46 37.49 2b3b s ILE 34 CO 0.09 -0.18 1.22 0.21 -0.10 0.00 0.00 174.94 176.18 2b3b s ASN 35 N 1.75 6.72 -1.20 3.58 3.84 -1.26 -1.34 114.94 127.02 2b3b s ASN 35 Ca 0.12 -2.21 -0.13 0.00 0.21 0.00 0.00 52.86 50.85 2b3b s ASN 35 Cb -0.17 -2.41 0.19 0.00 -0.55 0.00 0.00 41.25 38.31 2b3b s ASN 35 CO 0.12 -1.03 1.40 0.00 -2.79 0.00 0.00 177.10 174.81 2b3b n ALA 36 N 6.53 3.97 -2.20 1.71 0.00 -0.07 -5.00 120.51 125.45 2b3b n ALA 36 Ca 0.28 -4.31 -0.38 0.00 0.00 0.00 0.00 53.44 49.03 2b3b n ALA 36 Cb 0.48 -2.96 -0.06 0.00 0.00 0.00 0.00 19.45 16.90 2b3b n ALA 36 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2b3b s THR 37 N 1.10 4.65 -0.30 0.00 -4.23 -1.26 -2.54 115.64 113.07 2b3b s THR 37 Ca 0.41 1.26 -0.06 0.00 -1.18 0.00 0.00 61.69 62.12 2b3b s THR 37 Cb -0.04 -3.91 0.02 0.00 1.34 0.00 0.00 72.50 69.92 2b3b s THR 37 CO -0.01 0.42 0.06 -0.69 -0.54 0.00 0.00 174.62 173.87 2b3b s VAL 38 N -1.26 3.69 0.10 2.29 1.01 -0.00 -4.95 120.40 121.28 2b3b s VAL 38 Ca 0.35 -0.90 -0.31 0.00 0.00 0.00 0.00 61.98 61.12 2b3b s VAL 38 Cb -0.19 -2.96 -0.08 0.00 0.00 0.00 0.00 36.38 33.15 2b3b s VAL 38 CO 0.21 0.02 1.43 -0.89 0.00 0.00 0.00 175.10 175.86 2b3b s THR 39 N 1.43 3.27 0.00 3.92 2.01 -1.26 -4.36 115.64 120.65 2b3b s THR 39 Ca 0.01 0.88 0.00 0.00 0.31 0.00 0.00 61.69 62.89 2b3b s THR 39 Cb -0.18 -3.56 0.00 0.00 0.01 0.00 0.00 72.50 68.77 2b3b s THR 39 CO 0.01 0.05 0.00 0.61 -0.69 0.00 0.00 174.62 174.61 2b3b n GLY 40 N 3.57 3.02 3.61 4.40 0.00 -1.26 -4.75 105.19 113.78 2b3b n GLY 40 Ca 0.12 0.02 -0.45 0.00 0.00 0.00 0.00 46.02 45.72 2b3b n GLY 40 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2b3b n GLY 41 N 0.00 -0.09 2.52 -0.02 0.00 -1.26 -2.47 105.19 103.87 2b3b n GLY 41 Ca 0.00 0.35 -0.14 0.00 0.00 0.00 0.00 46.02 46.23 2b3b n GLY 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2b3b n ALA 42 N 0.42 -0.22 -1.04 4.61 0.00 -1.26 -3.22 120.51 119.81 2b3b n ALA 42 Ca 0.10 0.23 -0.01 0.00 0.00 0.00 0.00 53.44 53.75 2b3b n ALA 42 Cb 0.32 -1.72 -0.01 0.00 0.00 0.00 0.00 19.45 18.04 2b3b n ALA 42 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2b3b n GLY 43 N -0.06 0.48 0.04 0.00 0.00 -1.03 -4.92 105.19 99.70 2b3b n GLY 43 Ca -0.14 -0.21 -0.12 0.00 0.00 0.00 0.00 46.02 45.55 2b3b n GLY 43 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2b3b h VAL 44 N 0.00 1.01 -0.43 1.61 2.07 -1.75 0.29 116.25 119.05 2b3b h VAL 44 Ca -0.03 -0.04 -0.14 0.00 0.82 0.00 0.00 66.70 67.31 2b3b h VAL 44 Cb 0.29 1.04 -0.01 0.00 -1.52 0.00 0.00 31.29 31.09 2b3b h VAL 44 CO 0.04 0.01 -0.30 0.78 0.02 0.00 0.00 177.57 178.13 2b3b h ASN 45 N -0.02 1.00 -0.50 0.57 2.35 -1.83 -3.18 115.58 113.96 2b3b h ASN 45 Ca -0.00 -0.41 0.02 0.00 -0.55 0.00 0.00 56.30 55.35 2b3b h ASN 45 Cb 0.02 -0.28 -0.03 0.00 0.05 0.00 0.00 38.32 38.08 2b3b h ASN 45 CO 0.00 1.21 0.31 0.00 -1.65 0.00 0.00 177.43 177.30 2b3b h ALA 46 N 0.85 0.64 -0.73 -0.83 0.00 -1.71 -1.87 119.26 115.61 2b3b h ALA 46 Ca 0.09 -0.02 0.16 0.00 0.00 0.00 0.00 54.91 55.14 2b3b h ALA 46 Cb 0.88 -0.16 -0.12 0.00 0.00 0.00 0.00 17.79 18.39 2b3b h ALA 46 CO 0.08 0.02 0.07 -0.09 0.00 0.00 0.00 179.25 179.33 2b3b h ARG 47 N 0.61 0.16 -0.26 0.00 2.43 -1.00 0.13 114.38 116.46 2b3b h ARG 47 Ca 0.20 -0.01 -0.16 0.00 -0.81 0.00 0.00 59.98 59.20 2b3b h ARG 47 Cb -0.01 -0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 29.51 2b3b h ARG 47 CO -0.08 0.10 -0.44 0.00 -1.51 0.00 0.00 179.97 178.04 2b3b h ALA 48 N 1.65 0.41 -0.34 2.80 0.00 -1.35 -1.74 119.26 120.69 2b3b h ALA 48 Ca 0.40 -0.47 -0.17 0.00 0.00 0.00 0.00 54.91 54.67 2b3b h ALA 48 Cb 0.70 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.42 2b3b h ALA 48 CO -0.59 0.55 -0.45 0.28 0.00 0.00 0.00 179.25 179.04 2b3b h VAL 49 N 0.51 1.27 -0.66 0.00 2.07 -1.14 -2.72 116.25 115.57 2b3b h VAL 49 Ca 0.02 -1.63 0.01 0.00 0.82 0.00 0.00 66.70 65.92 2b3b h VAL 49 Cb 1.05 1.50 -0.03 0.00 -1.52 0.00 0.00 31.29 32.28 2b3b h VAL 49 CO 0.10 0.54 0.44 0.25 0.02 0.00 0.00 177.57 178.92 2b3b h LEU 50 N 0.71 0.75 -0.43 2.57 5.85 -0.71 -1.47 115.31 122.59 2b3b h LEU 50 Ca 0.04 -0.02 0.07 0.00 0.84 0.00 0.00 57.88 58.82 2b3b h LEU 50 Cb 1.05 -0.19 -0.06 0.00 0.37 0.00 0.00 40.66 41.83 2b3b h LEU 50 CO 0.11 0.54 0.05 0.50 -0.34 0.00 0.00 178.44 179.30 2b3b h LYS 51 N 0.89 0.17 -0.39 1.25 3.64 -1.23 0.41 116.57 121.31 2b3b h LYS 51 Ca 0.25 -0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.65 2b3b h LYS 51 Cb -0.09 -0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 31.65 2b3b h LYS 51 CO -0.06 0.11 0.17 1.15 -2.27 0.00 0.00 179.45 178.56 2b3b h THR 52 N 0.17 0.94 -0.07 1.00 2.02 -1.11 0.06 112.91 115.93 2b3b h THR 52 Ca 0.21 -0.12 -0.01 0.00 0.77 0.00 0.00 66.41 67.26 2b3b h THR 52 Cb 0.28 0.55 -0.00 0.00 -1.74 0.00 0.00 68.15 67.24 2b3b h THR 52 CO -0.31 0.07 -0.01 0.03 0.37 0.00 0.00 175.52 175.67 2b3b h ARG 53 N 0.36 0.12 0.15 6.66 3.08 -0.59 -1.29 114.38 122.87 2b3b h ARG 53 Ca 0.17 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.17 2b3b h ARG 53 Cb 0.11 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.15 2b3b h ARG 53 CO -0.14 0.43 -0.07 0.52 -1.07 0.00 0.00 179.97 179.63 2b3b h MET 54 N -0.19 -0.20 0.00 0.04 2.86 -0.14 0.13 114.93 117.43 2b3b h MET 54 Ca 0.02 0.01 -0.04 0.00 -2.06 0.00 0.00 59.70 57.63 2b3b h MET 54 Cb 0.38 0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.08 2b3b h MET 54 CO 0.01 -0.07 -0.18 -0.07 1.06 0.00 0.00 176.91 177.65 2b3b h LEU 55 N -0.27 0.00 0.00 1.22 3.38 -1.05 -1.55 115.31 117.04 2b3b h LEU 55 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2b3b h LEU 55 Cb 0.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.96 2b3b h LEU 55 CO 0.03 0.18 0.00 0.61 0.09 0.00 0.00 178.44 179.35 2b3b n GLY 56 N -0.82 -1.08 1.87 0.83 0.00 -0.49 -4.90 105.19 100.60 2b3b n GLY 56 Ca -0.02 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.88 2b3b n GLY 56 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2b3b n GLY 57 N 0.76 0.43 2.60 -0.02 0.00 -0.58 -5.00 105.19 103.37 2b3b n GLY 57 Ca 0.11 -0.98 -0.25 0.00 0.00 0.00 0.00 46.02 44.90 2b3b n GLY 57 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2b3b n ASP 58 N 1.87 3.15 -4.76 1.61 2.03 0.43 -5.02 116.55 115.85 2b3b n ASP 58 Ca 0.00 -3.40 -0.36 0.00 0.52 0.00 0.00 54.79 51.55 2b3b n ASP 58 Cb 0.10 -0.60 0.03 0.00 -0.72 0.00 0.00 41.12 39.92 2b3b n ASP 58 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 2b3b s PRO 59 N -2.83 3.06 0.99 -0.67 0.04 -1.26 -4.50 135.00 129.84 2b3b s PRO 59 Ca 0.44 1.77 -0.15 0.00 0.04 0.00 0.00 61.00 63.10 2b3b s PRO 59 Cb 0.26 -1.95 0.19 0.00 0.04 0.00 0.00 34.50 33.04 2b3b s PRO 59 CO -0.10 -1.12 1.17 -1.25 0.04 0.00 0.00 177.00 175.74 2b3b s PRO 60 N -3.33 0.45 0.39 0.56 0.04 -1.26 -4.65 135.00 127.20 2b3b s PRO 60 Ca 0.76 0.08 0.19 0.00 0.04 0.00 0.00 61.00 62.07 2b3b s PRO 60 Cb -0.29 -1.78 0.77 0.00 0.04 0.00 0.00 34.50 33.25 2b3b s PRO 60 CO 0.32 -2.62 1.78 -0.44 0.04 0.00 0.00 177.00 176.08 2b3b h ASP 61 N -1.80 0.00 -4.43 6.66 3.32 -1.85 -3.43 116.42 114.89 2b3b h ASP 61 Ca -0.48 0.00 0.08 0.00 0.02 0.00 0.00 57.03 56.64 2b3b h ASP 61 Cb 1.30 0.00 -0.19 0.00 0.22 0.00 0.00 39.33 40.66 2b3b h ASP 61 CO 0.50 0.35 0.48 0.28 -1.72 0.00 0.00 179.24 179.14 2b3b s THR 62 N -3.75 0.00 -0.02 0.35 -1.32 -1.19 -4.30 115.64 105.42 2b3b s THR 62 Ca -0.01 0.00 -0.02 0.00 -1.21 0.00 0.00 61.69 60.45 2b3b s THR 62 Cb 0.12 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 70.11 2b3b s THR 62 CO 0.68 0.00 0.06 0.72 -2.21 0.00 0.00 174.62 173.87 2b3b s PHE 63 N -1.91 -0.02 0.22 9.09 -0.12 -1.26 -1.50 117.98 122.48 2b3b s PHE 63 Ca -0.00 0.06 -0.32 0.00 -0.05 0.00 0.00 56.93 56.62 2b3b s PHE 63 Cb -0.01 -0.01 -0.13 0.00 -0.63 0.00 0.00 43.02 42.25 2b3b s PHE 63 CO -0.02 -0.07 1.56 0.94 -0.05 0.00 0.00 175.22 177.58 2b3b n GLN 64 N 2.74 2.34 -3.64 1.99 7.27 0.21 -4.03 117.38 124.27 2b3b n GLN 64 Ca -0.14 0.84 -0.15 0.00 0.07 0.00 0.00 57.00 57.62 2b3b n GLN 64 Cb 0.59 -2.59 -0.08 0.00 2.41 0.00 0.00 30.24 30.57 2b3b n GLN 64 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 2b3b s VAL 65 N 0.47 0.00 0.11 1.69 0.11 -0.13 -4.92 120.40 117.74 2b3b s VAL 65 Ca 0.72 -0.03 -0.30 0.00 -2.93 0.00 0.00 61.98 59.44 2b3b s VAL 65 Cb -0.60 -0.89 -0.06 0.00 -1.53 0.00 0.00 36.38 33.30 2b3b s VAL 65 CO 0.43 -0.02 1.03 -1.00 -3.33 0.00 0.00 175.10 172.21 2b3b s HIS 66 N -0.09 3.69 0.31 1.54 3.76 -1.26 -0.85 115.29 122.38 2b3b s HIS 66 Ca -0.03 1.68 -0.29 0.00 -0.15 0.00 0.00 55.06 56.26 2b3b s HIS 66 Cb -0.04 -3.17 -0.11 0.00 1.11 0.00 0.00 32.58 30.38 2b3b s HIS 66 CO 0.03 -0.22 1.45 0.00 -0.85 0.00 0.00 174.74 175.14 2b3b s ALA 67 N 0.14 3.61 0.00 -1.40 0.00 -0.45 -2.65 121.76 121.00 2b3b s ALA 67 Ca 0.49 1.42 0.00 0.00 0.00 0.00 0.00 51.96 53.87 2b3b s ALA 67 Cb -0.26 -3.57 0.00 0.00 0.00 0.00 0.00 23.12 19.30 2b3b s ALA 67 CO 0.31 -0.84 0.00 0.41 0.00 0.00 0.00 175.76 175.64 2b3b n GLY 68 N 1.45 0.20 0.22 0.00 0.00 -0.94 -3.84 105.19 102.28 2b3b n GLY 68 Ca 0.04 -1.93 0.06 0.00 0.00 0.00 0.00 46.02 44.19 2b3b n GLY 68 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 2b3b h MET 69 N 0.00 0.00 0.28 1.61 2.86 -0.98 -2.03 114.93 116.67 2b3b h MET 69 Ca 0.00 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2b3b h MET 69 Cb 0.00 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.65 2b3b h MET 69 CO 0.00 0.26 -0.21 1.49 1.06 0.00 0.00 176.91 179.51 2b3b h GLU 70 N 0.00 -0.48 0.23 1.72 4.81 -1.29 0.60 114.58 120.17 2b3b h GLU 70 Ca -0.00 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 2b3b h GLU 70 Cb 0.53 0.11 -0.02 0.00 0.63 0.00 0.00 28.75 30.00 2b3b h GLU 70 CO 0.03 -0.32 -0.24 1.25 -0.73 0.00 0.00 179.01 179.00 2b3b h LEU 71 N -0.50 -0.65 -0.12 1.64 5.85 -1.23 -3.16 115.31 117.14 2b3b h LEU 71 Ca -0.02 0.06 -0.03 0.00 0.84 0.00 0.00 57.88 58.73 2b3b h LEU 71 Cb 0.43 0.23 -0.00 0.00 0.37 0.00 0.00 40.66 41.69 2b3b h LEU 71 CO -0.01 -0.35 -0.03 0.40 -0.34 0.00 0.00 178.44 178.11 2b3b h ILE 72 N -0.51 1.30 0.00 4.05 1.08 -1.33 -3.21 117.51 118.89 2b3b h ILE 72 Ca -0.00 -0.99 0.00 0.00 -0.39 0.00 0.00 64.86 63.48 2b3b h ILE 72 Cb 0.48 1.71 0.00 0.00 -3.07 0.00 0.00 36.82 35.93 2b3b h ILE 72 CO -0.06 0.28 0.00 0.61 -0.69 0.00 0.00 178.15 178.29 2b3b n GLY 73 N -0.10 -1.23 0.00 5.37 0.00 0.20 -2.04 105.19 107.39 2b3b n GLY 73 Ca -0.06 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.84 2b3b n GLY 73 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2b3b n THR 74 N -1.32 0.00 0.31 2.61 -1.04 -1.19 -4.79 114.28 108.86 2b3b n THR 74 Ca 0.12 0.00 0.12 0.00 -2.04 0.00 0.00 64.05 62.25 2b3b n THR 74 Cb 0.23 -0.59 0.15 0.00 -1.82 0.00 0.00 70.33 68.30 2b3b n THR 74 CO 0.00 0.00 0.00 -0.50 -0.64 0.00 0.00 175.07 173.93 2b3b h TRP 75 N 0.00 0.00 0.12 -1.42 4.06 -1.76 -3.03 115.95 113.91 2b3b h TRP 75 Ca 0.00 0.00 -0.01 0.00 2.06 0.00 0.00 58.89 60.94 2b3b h TRP 75 Cb 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.16 2b3b h TRP 75 CO 0.00 0.00 -0.06 0.28 -3.56 0.00 0.00 178.44 175.10 2b3b h VAL 76 N 0.00 0.91 0.00 1.49 2.07 -1.62 -0.95 116.25 118.15 2b3b h VAL 76 Ca 0.00 -1.29 -0.01 0.00 0.82 0.00 0.00 66.70 66.22 2b3b h VAL 76 Cb 0.91 1.59 -0.00 0.00 -1.52 0.00 0.00 31.29 32.27 2b3b h VAL 76 CO 0.00 0.26 -0.03 -0.37 0.02 0.00 0.00 177.57 177.45 2b3b h VAL 77 N -0.88 0.66 0.00 2.57 -1.51 -1.54 0.70 116.25 116.24 2b3b h VAL 77 Ca -0.02 -0.12 0.00 0.00 -1.23 0.00 0.00 66.70 65.34 2b3b h VAL 77 Cb 0.54 1.07 0.00 0.00 -2.13 0.00 0.00 31.29 30.77 2b3b h VAL 77 CO 0.03 0.03 0.00 0.00 -1.23 0.00 0.00 177.57 176.40 2b3b n ALA 78 N -2.37 2.61 -3.69 5.19 0.00 -1.15 -4.93 120.51 116.18 2b3b n ALA 78 Ca -0.03 -0.17 -0.22 0.00 0.00 0.00 0.00 53.44 53.02 2b3b n ALA 78 Cb 0.12 -1.44 0.04 0.00 0.00 0.00 0.00 19.45 18.17 2b3b n ALA 78 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2b3b n ASN 79 N -0.94 -1.97 -0.25 0.00 4.13 0.24 -4.92 115.26 111.54 2b3b n ASN 79 Ca 0.20 -0.77 0.03 0.00 1.68 0.00 0.00 54.58 55.72 2b3b n ASN 79 Cb 0.09 -4.23 0.03 0.00 -1.54 0.00 0.00 39.78 34.13 2b3b n ASN 79 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 2b3b n ARG 80 N -4.34 0.04 -4.69 3.52 5.12 -0.37 -4.99 116.66 110.95 2b3b n ARG 80 Ca -0.24 -0.92 -0.31 0.00 -1.93 0.00 0.00 57.85 54.45 2b3b n ARG 80 Cb 0.65 -1.12 -0.13 0.00 -1.16 0.00 0.00 32.46 30.71 2b3b n ARG 80 CO 0.00 0.00 0.00 -1.64 -1.93 0.00 0.00 177.63 174.06 2b3b s MET 81 N -0.54 2.07 0.30 5.56 -1.94 -1.24 -0.49 119.30 123.04 2b3b s MET 81 Ca 0.07 -0.98 -0.27 0.00 -1.71 0.00 0.00 55.69 52.80 2b3b s MET 81 Cb 0.05 -2.18 -0.09 0.00 2.01 0.00 0.00 34.83 34.61 2b3b s MET 81 CO 0.08 0.54 0.98 -1.21 -0.01 0.00 0.00 175.02 175.40 2b3b s GLU 82 N -1.38 4.61 0.01 2.03 2.02 0.76 -4.77 118.70 121.98 2b3b s GLU 82 Ca 0.14 1.47 -0.30 0.00 0.02 0.00 0.00 54.97 56.30 2b3b s GLU 82 Cb -0.10 -2.96 -0.05 0.00 0.10 0.00 0.00 34.13 31.11 2b3b s GLU 82 CO 0.05 0.28 1.32 0.34 0.02 0.00 0.00 175.26 177.26 2b3b s ASP 83 N -1.37 6.93 -0.08 -0.19 2.15 -1.26 -4.66 116.67 118.19 2b3b s ASP 83 Ca 0.48 2.05 0.19 0.00 0.43 0.00 0.00 52.55 55.70 2b3b s ASP 83 Cb -0.23 -2.57 0.69 0.00 -0.30 0.00 0.00 42.92 40.51 2b3b s ASP 83 CO 0.29 -0.64 1.59 0.18 -0.17 0.00 0.00 175.17 176.43 2b3b n LEU 84 N 4.91 4.51 -0.19 -1.34 4.77 0.16 -4.63 117.00 125.19 2b3b n LEU 84 Ca 0.12 -2.34 -0.03 0.00 -0.03 0.00 0.00 56.01 53.73 2b3b n LEU 84 Cb 0.45 -0.55 0.07 0.00 -2.33 0.00 0.00 43.42 41.06 2b3b n LEU 84 CO 0.57 0.85 1.04 0.28 -1.33 0.00 0.00 177.39 178.80 2b3b h SER 85 N 4.02 0.41 -0.25 -1.43 0.02 -1.92 -0.26 113.55 114.13 2b3b h SER 85 Ca 0.00 0.04 0.02 0.00 -0.84 0.00 0.00 61.79 61.00 2b3b h SER 85 Cb 1.32 -0.04 -0.02 0.00 0.14 0.00 0.00 62.40 63.80 2b3b h SER 85 CO 0.17 0.27 0.12 0.00 -1.14 0.00 0.00 176.83 176.25 2b3b h ALA 86 N 1.32 0.30 -0.63 3.77 0.00 -1.96 -1.24 119.26 120.82 2b3b h ALA 86 Ca 0.26 0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.20 2b3b h ALA 86 Cb 0.18 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 2b3b h ALA 86 CO -0.18 -0.28 0.40 1.25 0.00 0.00 0.00 179.25 180.43 2b3b h LEU 87 N 0.26 0.66 -0.56 0.00 5.85 -1.79 -0.45 115.31 119.28 2b3b h LEU 87 Ca 0.10 -0.00 0.07 0.00 0.84 0.00 0.00 57.88 58.89 2b3b h LEU 87 Cb 0.03 -0.15 -0.06 0.00 0.37 0.00 0.00 40.66 40.86 2b3b h LEU 87 CO -0.08 0.46 0.25 -0.26 -0.34 0.00 0.00 178.44 178.48 2b3b h PHE 88 N 0.79 0.45 0.07 1.25 -1.00 -0.52 -0.94 116.94 117.04 2b3b h PHE 88 Ca 0.25 0.02 -0.00 0.00 2.81 0.00 0.00 57.97 61.05 2b3b h PHE 88 Cb -0.01 -0.12 0.00 0.00 3.61 0.00 0.00 35.95 39.43 2b3b h PHE 88 CO -0.05 0.18 -0.03 0.00 -1.61 0.00 0.00 178.31 176.80 2b3b h ARG 89 N 0.47 -0.09 -0.99 1.51 3.08 -0.96 -0.74 114.38 116.67 2b3b h ARG 89 Ca 0.26 0.01 0.16 0.00 0.07 0.00 0.00 59.98 60.47 2b3b h ARG 89 Cb 0.23 0.02 -0.09 0.00 0.08 0.00 0.00 29.97 30.21 2b3b h ARG 89 CO -0.22 -0.03 0.62 0.37 -1.07 0.00 0.00 179.97 179.64 2b3b h GLN 90 N -0.13 0.82 -0.01 0.04 4.15 -0.58 -1.81 115.11 117.59 2b3b h GLN 90 Ca -0.01 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.36 2b3b h GLN 90 Cb 0.10 -0.18 0.00 0.00 0.21 0.00 0.00 27.48 27.61 2b3b h GLN 90 CO 0.02 0.54 -0.21 0.39 -1.93 0.00 0.00 178.83 177.64 2b3b n GLU 91 N -4.67 1.32 -1.78 1.69 -0.58 -0.40 -4.95 120.64 111.27 2b3b n GLU 91 Ca 0.21 -0.91 -0.12 0.00 -0.42 0.00 0.00 57.16 55.91 2b3b n GLU 91 Cb 0.47 -1.48 -0.03 0.00 -0.57 0.00 0.00 31.44 29.83 2b3b n GLU 91 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2b3b n GLY 92 N 1.32 0.61 0.19 0.62 0.00 -0.52 -4.92 105.19 102.48 2b3b n GLY 92 Ca 0.13 -0.42 0.05 0.00 0.00 0.00 0.00 46.02 45.78 2b3b n GLY 92 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 2b3b h TRP 93 N 0.00 0.00 -0.10 1.61 6.55 -1.45 -2.90 115.95 119.67 2b3b h TRP 93 Ca -0.27 0.00 0.03 0.00 0.95 0.00 0.00 58.89 59.60 2b3b h TRP 93 Cb 1.00 0.00 -0.00 0.00 -0.86 0.00 0.00 29.16 29.29 2b3b h TRP 93 CO 0.33 0.38 0.09 -0.07 -1.05 0.00 0.00 178.44 178.12 2b3b h LEU 94 N 0.00 0.00 0.00 -4.49 3.38 -1.92 -1.29 115.31 110.99 2b3b h LEU 94 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2b3b h LEU 94 Cb 0.82 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.57 2b3b h LEU 94 CO 0.05 0.00 -1.60 0.00 0.09 0.00 0.00 178.44 176.98 2b3b n GLN 95 N -3.99 0.47 0.14 1.13 3.00 -1.11 -4.46 117.38 112.56 2b3b n GLN 95 Ca -0.01 -0.11 0.01 0.00 -0.01 0.00 0.00 57.00 56.88 2b3b n GLN 95 Cb 0.20 -1.55 0.13 0.00 0.00 0.00 0.00 30.24 29.02 2b3b n GLN 95 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2b3b h ALA 96 N 2.28 0.77 -3.23 -1.58 0.00 -1.08 -3.46 119.26 112.95 2b3b h ALA 96 Ca 0.00 -0.54 -0.64 0.00 0.00 0.00 0.00 54.91 53.73 2b3b h ALA 96 Cb 0.86 -0.09 -0.15 0.00 0.00 0.00 0.00 17.79 18.41 2b3b h ALA 96 CO 0.00 0.74 -0.73 -0.06 0.00 0.00 0.00 179.25 179.20 2b3b s PHE 97 N -3.25 2.68 0.54 0.00 0.08 -0.97 -0.35 117.98 116.70 2b3b s PHE 97 Ca 0.01 -0.19 -0.20 0.00 0.12 0.00 0.00 56.93 56.66 2b3b s PHE 97 Cb 0.10 -1.35 -0.05 0.00 -0.57 0.00 0.00 43.02 41.15 2b3b s PHE 97 CO 0.74 0.47 1.20 -1.25 -0.10 0.00 0.00 175.22 176.29 2b3b s PRO 98 N -2.58 3.31 0.23 0.24 0.04 -1.26 -4.83 135.00 130.14 2b3b s PRO 98 Ca 0.23 1.81 -0.07 0.00 0.04 0.00 0.00 61.00 63.01 2b3b s PRO 98 Cb -0.10 -2.12 0.26 0.00 0.04 0.00 0.00 34.50 32.58 2b3b s PRO 98 CO 0.15 -0.93 1.86 -0.22 0.04 0.00 0.00 177.00 177.89 2b3b h LYS 99 N 1.36 0.94 -0.95 4.56 3.64 -1.98 -0.96 116.57 123.18 2b3b h LYS 99 Ca -0.50 -0.06 0.16 0.00 -1.27 0.00 0.00 60.65 58.98 2b3b h LYS 99 Cb 1.28 -0.21 -0.08 0.00 -0.41 0.00 0.00 32.23 32.80 2b3b h LYS 99 CO 0.57 0.62 0.60 0.78 -2.27 0.00 0.00 179.45 179.76 2b3b h GLY 100 N 0.97 1.42 0.92 5.01 0.00 -2.00 0.11 103.07 109.50 2b3b h GLY 100 Ca 0.33 -0.33 -0.17 0.00 0.00 0.00 0.00 47.33 47.16 2b3b h GLY 100 CO -0.13 0.06 -0.60 -2.00 0.00 0.00 0.00 176.54 173.86 2b3b h LEU 101 N 0.76 0.66 -0.84 3.11 5.85 -1.58 -3.03 115.31 120.23 2b3b h LEU 101 Ca 0.49 -0.68 0.11 0.00 0.84 0.00 0.00 57.88 58.65 2b3b h LEU 101 Cb 0.75 -0.20 -0.08 0.00 0.37 0.00 0.00 40.66 41.51 2b3b h LEU 101 CO -0.26 1.24 0.47 0.40 -0.34 0.00 0.00 178.44 179.94 2b3b h ILE 102 N 0.14 0.85 -0.76 4.05 1.08 -0.54 -2.11 117.51 120.21 2b3b h ILE 102 Ca -0.05 -0.25 0.04 0.00 -0.39 0.00 0.00 64.86 64.20 2b3b h ILE 102 Cb 1.26 0.04 -0.05 0.00 -3.07 0.00 0.00 36.82 35.00 2b3b h ILE 102 CO 0.12 0.13 0.47 0.44 -0.69 0.00 0.00 178.15 178.63 2b3b h ASP 103 N 0.74 0.76 0.08 1.72 3.32 -0.77 -2.37 116.42 119.89 2b3b h ASP 103 Ca 0.42 0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.46 2b3b h ASP 103 Cb 0.47 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 39.86 2b3b h ASP 103 CO -0.29 0.51 -0.07 -0.07 -1.72 0.00 0.00 179.24 177.60 2b3b h LEU 104 N 0.90 0.00 -2.29 1.55 3.38 -1.26 -2.35 115.31 115.24 2b3b h LEU 104 Ca 0.31 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.28 2b3b h LEU 104 Cb 0.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.82 2b3b h LEU 104 CO -0.13 0.07 0.00 2.30 0.09 0.00 0.00 178.44 180.77 2b3b n ILE 105 N -4.42 0.46 -4.63 1.22 -5.35 -0.94 -2.21 119.36 103.49 2b3b n ILE 105 Ca -0.03 -0.73 -0.34 0.00 -0.27 0.00 0.00 62.75 61.39 2b3b n ILE 105 Cb 0.15 1.02 -0.11 0.00 -1.74 0.00 0.00 39.64 38.96 2b3b n ILE 105 CO 0.00 0.00 0.00 -0.44 -1.76 0.00 0.00 176.55 174.35 2b3b s SER 106 N -1.47 4.59 -0.28 7.28 0.01 -0.89 -1.30 113.70 121.64 2b3b s SER 106 Ca 0.36 -0.05 -0.16 0.00 1.31 0.00 0.00 55.95 57.41 2b3b s SER 106 Cb 0.21 -1.13 0.10 0.00 0.21 0.00 0.00 66.02 65.41 2b3b s SER 106 CO 0.30 0.35 0.77 -0.47 0.41 0.00 0.00 173.24 174.60 2b3b s TYR 107 N -0.83 -0.95 -1.47 2.43 5.04 -0.50 -4.94 117.35 116.13 2b3b s TYR 107 Ca 0.13 1.88 -0.03 0.00 -2.44 0.00 0.00 57.07 56.61 2b3b s TYR 107 Cb -0.11 0.57 0.02 0.00 0.35 0.00 0.00 41.96 42.79 2b3b s TYR 107 CO 0.02 -0.47 0.42 1.63 -1.34 0.00 0.00 175.55 175.81 2b3b n LYS 108 N 4.21 -2.97 -0.89 4.97 5.02 -1.26 -1.71 118.16 125.52 2b3b n LYS 108 Ca -0.19 0.36 0.00 0.00 -2.02 0.00 0.00 58.31 56.46 2b3b n LYS 108 Cb 0.58 -4.49 0.00 0.00 -0.02 0.00 0.00 35.03 31.10 2b3b n LYS 108 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2b3b n GLY 109 N -1.98 1.13 3.59 0.72 0.00 -1.26 -5.02 105.19 102.38 2b3b n GLY 109 Ca -0.26 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.52 2b3b n GLY 109 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2b3b s GLY 110 N -1.97 2.07 -0.07 -0.02 0.00 -0.70 -5.01 107.32 101.63 2b3b s GLY 110 Ca 0.00 -1.98 0.03 0.00 0.00 0.00 0.00 44.72 42.77 2b3b s GLY 110 CO 0.00 -1.94 -0.17 -0.42 0.00 0.00 0.00 173.10 170.58 2b3b s ILE 111 N -2.53 1.46 -0.06 0.90 1.01 -1.26 -1.41 121.20 119.30 2b3b s ILE 111 Ca 0.34 -0.68 0.01 0.00 0.00 0.00 0.00 60.65 60.32 2b3b s ILE 111 Cb -0.00 -1.28 -0.01 0.00 0.01 0.00 0.00 42.46 41.17 2b3b s ILE 111 CO 0.18 0.42 0.05 0.79 0.00 0.00 0.00 174.94 176.39 2b3b n TRP 112 N 3.58 0.00 -3.84 3.97 7.02 -0.42 0.35 117.44 128.09 2b3b n TRP 112 Ca -0.21 0.00 -0.08 0.00 -1.02 0.00 0.00 57.50 56.19 2b3b n TRP 112 Cb 0.52 -0.00 -0.03 0.00 -2.42 0.00 0.00 31.31 29.38 2b3b n TRP 112 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 2b3b s SER 113 N -1.13 -0.24 -0.23 -0.99 1.04 -1.26 -4.45 113.70 106.44 2b3b s SER 113 Ca 0.00 -0.62 0.00 0.00 0.48 0.00 0.00 55.95 55.82 2b3b s SER 113 Cb 0.01 0.67 0.03 0.00 0.10 0.00 0.00 66.02 66.83 2b3b s SER 113 CO 0.05 -1.23 -0.12 -0.69 0.98 0.00 0.00 173.24 172.23 2b3b s VAL 114 N -3.92 2.46 0.23 5.02 1.01 0.80 -4.90 120.40 121.10 2b3b s VAL 114 Ca 0.13 -1.12 -0.30 0.00 0.00 0.00 0.00 61.98 60.68 2b3b s VAL 114 Cb -0.04 -2.23 -0.10 0.00 0.00 0.00 0.00 36.38 34.02 2b3b s VAL 114 CO 0.05 0.26 1.38 -2.84 0.00 0.00 0.00 175.10 173.95 2b3b s PRO 115 N 1.27 4.32 -0.02 2.72 0.02 -1.26 -1.13 135.00 140.92 2b3b s PRO 115 Ca -0.00 2.20 0.16 0.00 0.02 0.00 0.00 61.00 63.37 2b3b s PRO 115 Cb -0.16 -3.14 -0.23 0.00 0.02 0.00 0.00 34.50 30.98 2b3b s PRO 115 CO -0.07 -0.34 0.40 1.55 -0.33 0.00 0.00 177.00 178.20 2b3b n VAL 116 N 2.42 0.00 -3.82 3.83 3.14 0.23 -4.58 118.33 119.54 2b3b n VAL 116 Ca 0.06 -0.33 -0.06 0.00 -2.96 0.00 0.00 64.34 61.06 2b3b n VAL 116 Cb 0.41 0.28 0.00 0.00 -1.06 0.00 0.00 33.84 33.48 2b3b n VAL 116 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 2b3b s ASN 117 N -3.60 -0.11 -0.09 6.55 2.20 -1.24 -4.00 114.94 114.65 2b3b s ASN 117 Ca -0.04 -0.75 0.01 0.00 -0.94 0.00 0.00 52.86 51.13 2b3b s ASN 117 Cb 0.10 0.68 0.02 0.00 -2.00 0.00 0.00 41.25 40.06 2b3b s ASN 117 CO 0.66 -1.31 -0.09 -0.63 -2.94 0.00 0.00 177.10 172.79 2b3b s ILE 118 N -2.96 1.04 0.17 0.54 -1.09 0.59 -4.17 121.20 115.32 2b3b s ILE 118 Ca 0.15 -0.35 0.05 0.00 -2.23 0.00 0.00 60.65 58.26 2b3b s ILE 118 Cb -0.04 -1.01 -0.04 0.00 -1.58 0.00 0.00 42.46 39.79 2b3b s ILE 118 CO 0.07 0.35 0.15 -1.00 -1.23 0.00 0.00 174.94 173.29 2b3b s HIS 119 N 1.25 3.18 -0.09 3.97 3.76 -0.38 -1.05 115.29 125.93 2b3b s HIS 119 Ca -0.04 -0.01 0.00 0.00 -0.15 0.00 0.00 55.06 54.87 2b3b s HIS 119 Cb -0.14 -1.52 -0.03 0.00 1.11 0.00 0.00 32.58 32.00 2b3b s HIS 119 CO -0.03 0.52 -0.09 0.50 -0.85 0.00 0.00 174.74 174.79 2b3b s ARG 120 N -3.15 2.98 -0.11 1.40 3.52 -1.26 -1.40 118.95 120.93 2b3b s ARG 120 Ca 0.31 -0.60 -0.15 0.00 -0.13 0.00 0.00 55.73 55.16 2b3b s ARG 120 Cb -0.10 -2.61 -0.27 0.00 -1.56 0.00 0.00 34.95 30.42 2b3b s ARG 120 CO 0.24 0.49 0.52 1.03 -0.81 0.00 0.00 175.30 176.77 2b3b h SER 121 N 5.80 0.36 -1.28 -2.12 0.87 -1.28 -2.50 113.55 113.40 2b3b h SER 121 Ca -0.41 -0.84 -0.75 0.00 -1.23 0.00 0.00 61.79 58.56 2b3b h SER 121 Cb 1.18 -0.12 -0.14 0.00 -0.44 0.00 0.00 62.40 62.88 2b3b h SER 121 CO 0.54 1.63 2.21 -0.46 -0.53 0.00 0.00 176.83 180.23 2b3b n ASN 122 N -3.92 6.48 -4.28 6.23 6.94 -1.26 -3.56 115.26 121.90 2b3b n ASN 122 Ca -0.26 -3.12 -0.32 0.00 -0.02 0.00 0.00 54.58 50.86 2b3b n ASN 122 Cb 0.90 -1.42 -0.16 0.00 -2.36 0.00 0.00 39.78 36.73 2b3b n ASN 122 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 2b3b s VAL 123 N -0.33 2.27 -0.23 3.53 1.01 -1.25 -0.72 120.40 124.68 2b3b s VAL 123 Ca 0.46 -0.97 -0.09 0.00 0.00 0.00 0.00 61.98 61.39 2b3b s VAL 123 Cb 0.14 -1.86 -0.04 0.00 0.00 0.00 0.00 36.38 34.61 2b3b s VAL 123 CO -0.04 0.56 0.11 -0.32 0.00 0.00 0.00 175.10 175.41 2b3b s MET 124 N 0.06 3.93 -0.02 2.72 1.75 0.98 -1.55 119.30 127.17 2b3b s MET 124 Ca -0.09 -0.35 -0.01 0.00 -1.25 0.00 0.00 55.69 53.99 2b3b s MET 124 Cb -0.15 -3.39 -0.04 0.00 2.84 0.00 0.00 34.83 34.09 2b3b s MET 124 CO 0.06 0.05 0.06 -1.58 -0.65 0.00 0.00 175.02 172.96 2b3b s TRP 125 N 1.02 3.26 0.17 4.11 0.52 -0.11 -1.13 118.94 126.78 2b3b s TRP 125 Ca 0.06 0.21 -0.24 0.00 0.02 0.00 0.00 56.10 56.14 2b3b s TRP 125 Cb -0.14 -1.75 0.06 0.00 -1.15 0.00 0.00 33.47 30.49 2b3b s TRP 125 CO 0.04 0.54 0.77 1.52 0.02 0.00 0.00 176.95 179.84 2b3b s TYR 126 N -1.13 -0.30 -0.35 -1.98 -0.85 -0.93 -2.33 117.35 109.47 2b3b s TYR 126 Ca 0.21 -0.00 -0.10 0.00 -0.52 0.00 0.00 57.07 56.66 2b3b s TYR 126 Cb -0.12 0.62 0.02 0.00 0.38 0.00 0.00 41.96 42.86 2b3b s TYR 126 CO 0.11 -0.91 0.17 -0.51 -1.52 0.00 0.00 175.55 172.89 2b3b s LEU 127 N -2.80 4.46 0.51 -3.49 1.02 -1.26 -0.49 118.68 116.63 2b3b s LEU 127 Ca 0.08 -0.89 0.24 0.00 0.02 0.00 0.00 54.13 53.57 2b3b s LEU 127 Cb -0.03 -1.99 1.36 0.00 0.02 0.00 0.00 46.19 45.56 2b3b s LEU 127 CO -0.02 -0.32 2.07 1.55 0.02 0.00 0.00 176.35 179.64 2b3b h PRO 128 N 8.37 0.00 -0.08 1.29 0.13 -1.86 -1.21 132.00 138.64 2b3b h PRO 128 Ca -0.27 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.71 2b3b h PRO 128 Cb 1.11 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.23 2b3b h PRO 128 CO 0.64 0.13 -0.61 0.00 -0.23 0.00 0.00 178.00 177.93 2b3b h ALA 129 N 1.87 0.83 -0.02 -0.56 0.00 -1.93 -2.79 119.26 116.66 2b3b h ALA 129 Ca -0.00 -0.54 -0.19 0.00 0.00 0.00 0.00 54.91 54.17 2b3b h ALA 129 Cb 0.30 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 2b3b h ALA 129 CO 0.02 0.73 -0.81 0.87 0.00 0.00 0.00 179.25 180.05 2b3b h LYS 130 N 0.19 0.27 -0.58 0.00 1.79 -1.72 -2.13 116.57 114.40 2b3b h LYS 130 Ca -0.01 -0.26 -0.09 0.00 -2.18 0.00 0.00 60.65 58.12 2b3b h LYS 130 Cb 1.12 0.07 -0.02 0.00 -1.58 0.00 0.00 32.23 31.81 2b3b h LYS 130 CO 0.10 0.95 0.02 -0.07 -1.08 0.00 0.00 179.45 179.37 2b3b h LEU 131 N 0.17 0.96 -0.18 2.94 3.38 -1.25 -1.52 115.31 119.81 2b3b h LEU 131 Ca -0.04 -0.25 -0.03 0.00 0.09 0.00 0.00 57.88 57.64 2b3b h LEU 131 Cb 1.41 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.90 2b3b h LEU 131 CO 0.13 1.00 -0.02 0.11 0.09 0.00 0.00 178.44 179.76 2b3b h LYS 132 N 0.92 0.33 -0.98 1.13 1.57 -1.50 0.27 116.57 118.31 2b3b h LYS 132 Ca 0.17 -0.11 0.27 0.00 -1.87 0.00 0.00 60.65 59.11 2b3b h LYS 132 Cb 0.50 -0.03 -0.05 0.00 0.08 0.00 0.00 32.23 32.73 2b3b h LYS 132 CO 0.02 0.56 0.69 0.78 -0.57 0.00 0.00 179.45 180.93 2b3b h GLY 133 N 0.06 0.34 -0.36 3.86 0.00 -1.23 0.18 103.07 105.93 2b3b h GLY 133 Ca 0.05 -0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.32 2b3b h GLY 133 CO 0.01 -0.02 -0.41 0.79 0.00 0.00 0.00 176.54 176.91 2b3b n TRP 134 N -4.35 0.00 -3.61 5.60 8.01 -0.59 -5.02 117.44 117.49 2b3b n TRP 134 Ca 0.21 0.00 -0.24 0.00 -1.31 0.00 0.00 57.50 56.17 2b3b n TRP 134 Cb 0.97 -0.06 0.04 0.00 -2.01 0.00 0.00 31.31 30.25 2b3b n TRP 134 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 2b3b n GLY 135 N 1.39 -0.70 3.22 6.99 0.00 0.74 -5.03 105.19 111.80 2b3b n GLY 135 Ca 0.10 0.33 -0.13 0.00 0.00 0.00 0.00 46.02 46.32 2b3b n GLY 135 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2b3b s VAL 136 N -3.55 0.86 0.34 1.61 -7.23 0.02 -5.00 120.40 107.45 2b3b s VAL 136 Ca 0.25 -1.99 0.03 0.00 -1.81 0.00 0.00 61.98 58.46 2b3b s VAL 136 Cb -0.07 -1.87 -0.02 0.00 0.56 0.00 0.00 36.38 34.98 2b3b s VAL 136 CO 0.82 -0.72 0.51 0.20 -0.31 0.00 0.00 175.10 175.60 2b3b s ASN 137 N -3.13 6.10 -0.18 4.85 0.01 -1.26 -4.36 114.94 116.98 2b3b s ASN 137 Ca 0.17 0.15 -0.29 0.00 -0.71 0.00 0.00 52.86 52.18 2b3b s ASN 137 Cb 0.05 -1.66 -0.01 0.00 0.41 0.00 0.00 41.25 40.03 2b3b s ASN 137 CO -0.00 -0.38 1.23 -2.16 -1.51 0.00 0.00 177.10 174.29 2b3b s PRO 138 N -4.26 4.23 0.20 -0.60 0.04 -1.26 -4.99 135.00 128.36 2b3b s PRO 138 Ca 0.42 1.61 -0.30 0.00 0.04 0.00 0.00 61.00 62.77 2b3b s PRO 138 Cb -0.10 -3.75 -0.08 0.00 0.04 0.00 0.00 34.50 30.61 2b3b s PRO 138 CO 0.34 -0.71 1.19 -1.25 0.04 0.00 0.00 177.00 176.61 2b3b s PRO 139 N 3.48 4.50 -0.00 0.56 0.04 -1.26 -4.95 135.00 137.37 2b3b s PRO 139 Ca 0.53 1.88 0.19 0.00 0.04 0.00 0.00 61.00 63.65 2b3b s PRO 139 Cb -0.21 -3.23 -0.22 0.00 0.04 0.00 0.00 34.50 30.89 2b3b s PRO 139 CO 0.14 -0.07 0.79 2.89 0.04 0.00 0.00 177.00 180.79 2b3b n ARG 140 N 2.34 0.62 -4.31 4.56 1.85 -1.26 -4.43 116.66 116.03 2b3b n ARG 140 Ca 0.04 -0.02 -0.16 0.00 -1.00 0.00 0.00 57.85 56.71 2b3b n ARG 140 Cb 0.45 -1.42 -0.10 0.00 -1.05 0.00 0.00 32.46 30.34 2b3b n ARG 140 CO 0.00 0.00 0.00 0.95 -0.01 0.00 0.00 177.63 178.57 2b3b s THR 141 N -2.87 1.03 0.29 8.89 -4.23 -1.26 -1.31 115.64 116.19 2b3b s THR 141 Ca 0.06 -2.04 0.07 0.00 -1.18 0.00 0.00 61.69 58.61 2b3b s THR 141 Cb 0.14 -2.24 0.03 0.00 1.34 0.00 0.00 72.50 71.78 2b3b s THR 141 CO 0.80 -0.41 1.69 -0.50 -0.54 0.00 0.00 174.62 175.65 2b3b h TRP 142 N 2.54 0.23 -0.25 3.99 4.06 -1.92 0.01 115.95 124.61 2b3b h TRP 142 Ca -0.38 -0.07 -0.01 0.00 2.06 0.00 0.00 58.89 60.50 2b3b h TRP 142 Cb 1.22 -0.05 -0.01 0.00 -1.00 0.00 0.00 29.16 29.31 2b3b h TRP 142 CO 0.59 0.61 0.13 -0.44 -3.56 0.00 0.00 178.44 175.76 2b3b h ASP 143 N 0.16 0.32 -0.11 -3.49 3.32 -1.99 0.21 116.42 114.85 2b3b h ASP 143 Ca 0.01 -0.11 -0.06 0.00 0.02 0.00 0.00 57.03 56.89 2b3b h ASP 143 Cb 0.85 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 40.30 2b3b h ASP 143 CO 0.07 0.34 -0.11 0.11 -1.72 0.00 0.00 179.24 177.93 2b3b h LYS 144 N 0.28 0.43 0.19 3.56 1.57 -1.93 -0.74 116.57 119.93 2b3b h LYS 144 Ca 0.09 -0.11 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 2b3b h LYS 144 Cb 0.10 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.36 2b3b h LYS 144 CO -0.01 0.55 -0.09 0.35 -0.57 0.00 0.00 179.45 179.68 2b3b h PHE 145 N 0.41 -0.24 -0.68 -1.35 3.57 -0.74 0.49 116.94 118.39 2b3b h PHE 145 Ca 0.08 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.56 2b3b h PHE 145 Cb 0.44 0.08 -0.03 0.00 2.79 0.00 0.00 35.95 39.23 2b3b h PHE 145 CO 0.01 -0.06 0.38 -0.07 -2.23 0.00 0.00 178.31 176.34 2b3b h LEU 146 N -0.37 0.85 -0.42 0.59 3.38 -0.24 -0.81 115.31 118.29 2b3b h LEU 146 Ca -0.03 -0.09 -0.08 0.00 0.09 0.00 0.00 57.88 57.77 2b3b h LEU 146 Cb 0.29 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 2b3b h LEU 146 CO 0.04 0.69 -0.04 0.00 0.09 0.00 0.00 178.44 179.22 2b3b h ALA 147 N 1.19 0.57 -0.77 1.53 0.00 -1.16 -2.50 119.26 118.12 2b3b h ALA 147 Ca 0.24 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 2b3b h ALA 147 Cb 0.03 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 2b3b h ALA 147 CO -0.04 0.40 0.35 1.15 0.00 0.00 0.00 179.25 181.11 2b3b h THR 148 N 0.60 1.25 -0.53 0.00 2.02 -0.63 -2.33 112.91 113.28 2b3b h THR 148 Ca 0.11 -0.73 -0.05 0.00 0.77 0.00 0.00 66.41 66.52 2b3b h THR 148 Cb 0.55 0.30 -0.02 0.00 -1.74 0.00 0.00 68.15 67.23 2b3b h THR 148 CO 0.03 0.30 0.14 0.00 0.37 0.00 0.00 175.52 176.37 2b3b h GLN 150 N 0.78 0.18 -0.77 0.00 5.75 -1.20 0.68 115.11 120.52 2b3b h GLN 150 Ca 0.17 -0.04 0.17 0.00 -0.15 0.00 0.00 58.65 58.81 2b3b h GLN 150 Cb 0.27 -0.03 -0.11 0.00 1.07 0.00 0.00 27.48 28.67 2b3b h GLN 150 CO -0.00 0.30 0.20 1.15 -2.65 0.00 0.00 178.83 177.82 2b3b h THR 151 N 0.02 0.49 -0.28 2.39 2.02 -1.20 -0.02 112.91 116.34 2b3b h THR 151 Ca 0.04 -0.09 -0.15 0.00 0.77 0.00 0.00 66.41 66.97 2b3b h THR 151 Cb 0.19 0.19 -0.01 0.00 -1.74 0.00 0.00 68.15 66.78 2b3b h THR 151 CO -0.00 0.05 -0.45 -0.07 0.37 0.00 0.00 175.52 175.41 2b3b h LEU 152 N 0.28 0.77 -0.25 2.58 3.38 -0.50 0.10 115.31 121.67 2b3b h LEU 152 Ca 0.44 -0.37 0.01 0.00 0.09 0.00 0.00 57.88 58.04 2b3b h LEU 152 Cb 0.78 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 2b3b h LEU 152 CO -0.53 1.11 0.16 0.11 0.09 0.00 0.00 178.44 179.38 2b3b h LYS 153 N 0.57 0.31 -0.63 1.13 1.57 -0.34 0.25 116.57 119.43 2b3b h LYS 153 Ca 0.03 -0.02 0.12 0.00 -1.87 0.00 0.00 60.65 58.92 2b3b h LYS 153 Cb 1.01 -0.07 -0.09 0.00 0.08 0.00 0.00 32.23 33.16 2b3b h LYS 153 CO 0.10 0.21 0.16 1.96 -0.57 0.00 0.00 179.45 181.30 2b3b h GLN 154 N 0.32 0.29 0.00 3.15 4.20 -0.71 -0.77 115.11 121.59 2b3b h GLN 154 Ca 0.09 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.79 2b3b h GLN 154 Cb -0.02 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 27.69 2b3b h GLN 154 CO -0.03 0.19 0.00 1.63 -0.67 0.00 0.00 178.83 179.95 2b3b n LYS 155 N -5.10 0.85 -0.02 1.46 5.02 -0.00 -4.87 118.16 115.49 2b3b n LYS 155 Ca 0.10 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.39 2b3b n LYS 155 Cb 0.34 -1.10 0.00 0.00 -0.02 0.00 0.00 35.03 34.25 2b3b n LYS 155 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2b3b n GLY 156 N 0.41 0.46 3.44 0.72 0.00 -0.29 -5.03 105.19 104.89 2b3b n GLY 156 Ca 0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.63 2b3b n GLY 156 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2b3b s LEU 157 N 0.00 4.63 0.24 0.99 2.96 0.82 -4.93 118.68 123.39 2b3b s LEU 157 Ca 0.00 -1.07 -0.06 0.00 -0.22 0.00 0.00 54.13 52.77 2b3b s LEU 157 Cb 0.00 -2.41 0.28 0.00 0.50 0.00 0.00 46.19 44.57 2b3b s LEU 157 CO 0.00 -1.34 1.88 -0.33 -1.32 0.00 0.00 176.35 175.24 2b3b h GLU 158 N 9.45 1.09 -2.57 1.98 5.08 -1.85 -3.14 114.58 124.62 2b3b h GLU 158 Ca -0.29 -0.07 -0.60 0.00 -1.00 0.00 0.00 59.36 57.41 2b3b h GLU 158 Cb 1.08 -0.25 -0.39 0.00 0.50 0.00 0.00 28.75 29.68 2b3b h GLU 158 CO 1.15 0.72 -0.84 0.00 -1.00 0.00 0.00 179.01 179.04 2b3b n ALA 159 N -2.35 3.06 0.29 3.43 0.00 -1.26 -4.90 120.51 118.78 2b3b n ALA 159 Ca 0.12 -3.62 0.16 0.00 0.00 0.00 0.00 53.44 50.09 2b3b n ALA 159 Cb 0.10 -0.85 0.88 0.00 0.00 0.00 0.00 19.45 19.58 2b3b n ALA 159 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 2b3b h PRO 160 N 5.43 0.00 -5.07 0.00 0.11 -1.56 -3.39 132.00 127.53 2b3b h PRO 160 Ca 0.22 0.00 -0.62 0.00 0.11 0.00 0.00 66.00 65.71 2b3b h PRO 160 Cb 0.85 0.00 -0.15 0.00 0.11 0.00 0.00 31.00 31.81 2b3b h PRO 160 CO 0.50 0.05 -0.51 -1.17 -0.21 0.00 0.00 178.00 176.66 2b3b s LEU 161 N -6.99 4.10 0.18 2.35 2.96 -0.10 0.31 118.68 121.49 2b3b s LEU 161 Ca -0.03 0.09 -0.30 0.00 -0.22 0.00 0.00 54.13 53.67 2b3b s LEU 161 Cb 0.13 -2.10 -0.07 0.00 0.50 0.00 0.00 46.19 44.64 2b3b s LEU 161 CO 0.53 0.05 0.94 0.00 -1.32 0.00 0.00 176.35 176.55 2b3b s ALA 162 N 1.13 3.30 -0.03 5.97 0.00 0.54 -2.51 121.76 130.16 2b3b s ALA 162 Ca 0.07 0.58 -0.14 0.00 0.00 0.00 0.00 51.96 52.48 2b3b s ALA 162 Cb -0.14 -3.22 0.02 0.00 0.00 0.00 0.00 23.12 19.78 2b3b s ALA 162 CO 0.05 0.11 0.31 -1.17 0.00 0.00 0.00 175.76 175.06 2b3b s LEU 163 N -0.65 0.85 0.00 0.00 2.96 -1.26 -4.51 118.68 116.07 2b3b s LEU 163 Ca 0.43 0.19 0.00 0.00 -0.22 0.00 0.00 54.13 54.53 2b3b s LEU 163 Cb -0.25 1.23 0.00 0.00 0.50 0.00 0.00 46.19 47.67 2b3b s LEU 163 CO 0.31 -0.38 0.00 0.61 -1.32 0.00 0.00 176.35 175.57 2b3b n GLY 164 N 1.59 5.14 3.46 7.98 0.00 -1.26 -4.41 105.19 117.69 2b3b n GLY 164 Ca -0.20 -1.67 -0.28 0.00 0.00 0.00 0.00 46.02 43.86 2b3b n GLY 164 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2b3b n GLU 165 N 0.00 -2.54 -0.33 1.61 0.28 0.49 -4.15 120.64 116.00 2b3b n GLU 165 Ca 0.00 -0.71 -0.01 0.00 -0.16 0.00 0.00 57.16 56.28 2b3b n GLU 165 Cb 0.00 -2.15 0.05 0.00 1.43 0.00 0.00 31.44 30.77 2b3b n GLU 165 CO 0.00 0.00 0.00 -0.97 -0.16 0.00 0.00 177.13 176.00 2b3b h ASN 166 N -2.71 -1.26 -0.26 -1.84 -0.73 -1.88 0.21 115.58 107.11 2b3b h ASN 166 Ca -0.62 0.28 -0.00 0.00 1.87 0.00 0.00 56.30 57.83 2b3b h ASN 166 Cb 1.34 0.68 -0.01 0.00 0.27 0.00 0.00 38.32 40.59 2b3b h ASN 166 CO 0.49 -0.29 0.16 4.11 -0.37 0.00 0.00 177.43 181.52 2b3b h TRP 167 N -0.04 0.36 0.00 0.67 5.08 -1.97 0.27 115.95 120.32 2b3b h TRP 167 Ca 0.33 0.00 -0.06 0.00 1.08 0.00 0.00 58.89 60.25 2b3b h TRP 167 Cb 0.60 -0.12 -0.01 0.00 -3.00 0.00 0.00 29.16 26.63 2b3b h TRP 167 CO -0.78 0.25 -0.27 1.79 -1.28 0.00 0.00 178.44 178.14 2b3b h THR 168 N 0.38 0.68 -0.17 0.12 1.35 -0.87 0.39 112.91 114.79 2b3b h THR 168 Ca 0.10 -1.21 -0.19 0.00 -0.55 0.00 0.00 66.41 64.56 2b3b h THR 168 Cb 0.00 1.78 0.00 0.00 -1.73 0.00 0.00 68.15 68.21 2b3b h THR 168 CO -0.02 0.26 -0.66 1.56 -0.25 0.00 0.00 175.52 176.42 2b3b h GLN 169 N 0.00 0.64 -0.77 4.72 4.20 -0.65 -1.30 115.11 121.96 2b3b h GLN 169 Ca -0.00 -0.47 -0.05 0.00 0.06 0.00 0.00 58.65 58.19 2b3b h GLN 169 Cb 0.76 0.08 -0.03 0.00 0.30 0.00 0.00 27.48 28.59 2b3b h GLN 169 CO 0.04 1.09 0.29 1.96 -0.67 0.00 0.00 178.83 181.54 2b3b h GLN 170 N 0.47 1.15 -0.21 1.46 4.20 -0.93 -0.77 115.11 120.48 2b3b h GLN 170 Ca -0.02 -0.21 0.00 0.00 0.06 0.00 0.00 58.65 58.48 2b3b h GLN 170 Cb 1.25 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 28.83 2b3b h GLN 170 CO 0.13 0.94 0.14 1.25 -0.67 0.00 0.00 178.83 180.61 2b3b h HIS 171 N 1.12 0.26 -0.55 2.96 2.76 -0.75 -0.85 115.15 120.09 2b3b h HIS 171 Ca 0.25 0.01 0.05 0.00 -2.20 0.00 0.00 60.37 58.48 2b3b h HIS 171 Cb 0.23 -0.09 -0.05 0.00 1.55 0.00 0.00 27.41 29.05 2b3b h HIS 171 CO 0.02 0.16 0.28 1.25 -1.30 0.00 0.00 177.93 178.34 2b3b h LEU 172 N 0.28 0.39 -0.84 0.26 5.85 -1.12 -2.94 115.31 117.19 2b3b h LEU 172 Ca 0.08 0.03 0.07 0.00 0.84 0.00 0.00 57.88 58.91 2b3b h LEU 172 Cb -0.03 -0.04 -0.06 0.00 0.37 0.00 0.00 40.66 40.90 2b3b h LEU 172 CO -0.02 0.26 0.51 -0.25 -0.34 0.00 0.00 178.44 178.60 2b3b h TRP 173 N 0.53 0.93 -0.09 1.25 7.01 -0.32 -2.07 115.95 123.18 2b3b h TRP 173 Ca 0.25 0.03 -0.09 0.00 2.11 0.00 0.00 58.89 61.18 2b3b h TRP 173 Cb 0.17 -0.29 -0.01 0.00 -2.10 0.00 0.00 29.16 26.92 2b3b h TRP 173 CO -0.10 0.44 -0.37 1.05 -2.79 0.00 0.00 178.44 176.67 2b3b h GLU 174 N 0.90 0.19 -0.25 2.65 4.11 -1.01 0.17 114.58 121.35 2b3b h GLU 174 Ca 0.38 -0.08 -0.03 0.00 0.07 0.00 0.00 59.36 59.70 2b3b h GLU 174 Cb 0.23 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 2b3b h GLU 174 CO -0.20 0.54 0.03 0.77 0.07 0.00 0.00 179.01 180.23 2b3b h SER 175 N 0.17 0.40 0.11 3.06 0.02 -1.40 -1.03 113.55 114.87 2b3b h SER 175 Ca 0.02 -0.27 0.00 0.00 -0.84 0.00 0.00 61.79 60.70 2b3b h SER 175 Cb 0.73 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 63.16 2b3b h SER 175 CO 0.06 0.57 -0.09 0.58 -1.14 0.00 0.00 176.83 176.80 2b3b h VAL 176 N 0.22 0.79 -0.52 2.27 2.07 -0.84 -1.51 116.25 118.71 2b3b h VAL 176 Ca 0.07 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.65 2b3b h VAL 176 Cb 0.34 0.79 -0.05 0.00 -1.52 0.00 0.00 31.29 30.85 2b3b h VAL 176 CO 0.01 0.00 0.25 0.00 0.02 0.00 0.00 177.57 177.85 2b3b h ALA 177 N 0.66 0.67 -0.51 1.67 0.00 -0.64 -0.57 119.26 120.54 2b3b h ALA 177 Ca 0.00 0.03 0.06 0.00 0.00 0.00 0.00 54.91 55.00 2b3b h ALA 177 Cb 0.20 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 17.89 2b3b h ALA 177 CO -0.02 -0.10 0.21 1.25 0.00 0.00 0.00 179.25 180.59 2b3b h LEU 178 N 0.49 0.26 -0.50 0.00 5.85 -1.01 0.75 115.31 121.15 2b3b h LEU 178 Ca 0.24 0.05 -0.00 0.00 0.84 0.00 0.00 57.88 59.00 2b3b h LEU 178 Cb 0.17 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.18 2b3b h LEU 178 CO -0.18 0.18 0.31 0.00 -0.34 0.00 0.00 178.44 178.41 2b3b h ALA 179 N 1.31 0.64 -0.15 1.25 0.00 -0.47 0.12 119.26 121.96 2b3b h ALA 179 Ca 0.24 -0.06 -0.21 0.00 0.00 0.00 0.00 54.91 54.87 2b3b h ALA 179 Cb 0.21 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 17.81 2b3b h ALA 179 CO -0.21 0.11 -0.74 0.28 0.00 0.00 0.00 179.25 178.69 2b3b h VAL 180 N 0.67 1.29 0.00 0.00 2.07 -0.64 -3.31 116.25 116.33 2b3b h VAL 180 Ca 0.18 -1.95 -0.18 0.00 0.82 0.00 0.00 66.70 65.57 2b3b h VAL 180 Cb -0.02 2.01 -0.03 0.00 -1.52 0.00 0.00 31.29 31.72 2b3b h VAL 180 CO -0.03 0.61 -1.29 -0.07 0.02 0.00 0.00 177.57 176.81 2b3b h LEU 181 N 0.48 0.00 -0.09 2.57 3.38 -0.87 -3.50 115.31 117.28 2b3b h LEU 181 Ca -0.05 0.00 0.07 0.00 0.09 0.00 0.00 57.88 57.99 2b3b h LEU 181 Cb 1.37 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.09 2b3b h LEU 181 CO 0.15 0.66 -0.19 0.61 0.09 0.00 0.00 178.44 179.76 2b3b n GLY 182 N 1.39 -2.27 0.31 0.83 0.00 0.42 -4.08 105.19 101.79 2b3b n GLY 182 Ca -0.08 -1.41 -0.03 0.00 0.00 0.00 0.00 46.02 44.49 2b3b n GLY 182 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2b3b h PRO 183 N -0.26 0.90 0.00 1.61 0.13 -1.96 -1.59 132.00 130.83 2b3b h PRO 183 Ca -0.02 -0.18 -0.00 0.00 -0.87 0.00 0.00 66.00 64.93 2b3b h PRO 183 Cb 0.26 -0.14 0.00 0.00 0.13 0.00 0.00 31.00 31.25 2b3b h PRO 183 CO 0.01 0.79 -0.00 -0.44 -0.23 0.00 0.00 178.00 178.13 2b3b h ASP 184 N 0.87 -0.00 0.33 1.44 3.32 -1.96 -0.64 116.42 119.78 2b3b h ASP 184 Ca 0.19 -0.32 -0.10 0.00 0.02 0.00 0.00 57.03 56.82 2b3b h ASP 184 Cb 0.28 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.82 2b3b h ASP 184 CO -0.01 0.32 -0.42 0.44 -1.72 0.00 0.00 179.24 177.85 2b3b h ASP 185 N -0.32 0.12 -0.05 6.45 3.32 -1.70 0.29 116.42 124.53 2b3b h ASP 185 Ca -0.00 -0.05 0.03 0.00 0.02 0.00 0.00 57.03 57.03 2b3b h ASP 185 Cb 0.32 -0.03 -0.04 0.00 0.22 0.00 0.00 39.33 39.80 2b3b h ASP 185 CO 0.00 0.54 -0.19 -0.25 -1.72 0.00 0.00 179.24 177.62 2b3b h TRP 186 N 0.10 -0.49 -0.51 4.55 2.91 -1.20 -1.83 115.95 119.48 2b3b h TRP 186 Ca 0.01 0.02 0.06 0.00 1.13 0.00 0.00 58.89 60.11 2b3b h TRP 186 Cb 0.79 0.22 -0.03 0.00 -0.51 0.00 0.00 29.16 29.64 2b3b h TRP 186 CO 0.01 -0.27 0.34 -0.91 -1.03 0.00 0.00 178.44 176.58 2b3b h ASN 187 N -0.28 0.38 1.00 2.65 2.35 -0.55 -2.36 115.58 118.77 2b3b h ASN 187 Ca 0.07 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.81 2b3b h ASN 187 Cb 0.38 -0.08 -0.00 0.00 0.05 0.00 0.00 38.32 38.66 2b3b h ASN 187 CO -0.21 0.25 -0.05 0.78 -1.65 0.00 0.00 177.43 176.56 2b3b h ASN 188 N 0.44 0.00 -0.86 5.81 2.35 -0.12 -2.40 115.58 120.79 2b3b h ASN 188 Ca 0.22 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.96 2b3b h ASN 188 Cb 0.32 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.65 2b3b h ASN 188 CO -0.06 0.05 0.48 -0.07 -1.65 0.00 0.00 177.43 176.18 2b3b h LEU 189 N 0.00 1.07 0.00 1.61 3.38 -0.97 -0.34 115.31 120.07 2b3b h LEU 189 Ca -0.00 -0.10 -0.05 0.00 0.09 0.00 0.00 57.88 57.83 2b3b h LEU 189 Cb 0.56 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 2b3b h LEU 189 CO 0.01 0.86 -1.07 -0.50 0.09 0.00 0.00 178.44 177.83 2b3b h TRP 190 N 1.20 0.00 -0.01 1.13 4.06 -1.55 -3.03 115.95 117.75 2b3b h TRP 190 Ca 0.30 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.25 2b3b h TRP 190 Cb 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.18 2b3b h TRP 190 CO 0.01 0.17 -0.23 0.27 -3.56 0.00 0.00 178.44 175.10 2b3b n ASN 191 N -2.76 1.48 0.00 -3.49 0.23 -1.12 -4.21 115.26 105.39 2b3b n ASN 191 Ca -0.02 -1.23 0.00 0.00 -0.53 0.00 0.00 54.58 52.79 2b3b n ASN 191 Cb 0.63 0.16 0.00 0.00 -2.08 0.00 0.00 39.78 38.50 2b3b n ASN 191 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2b3b n GLY 192 N 1.32 0.66 0.14 4.83 0.00 -0.95 -4.81 105.19 106.39 2b3b n GLY 192 Ca 0.13 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.05 2b3b n GLY 192 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2b3b h LYS 193 N 1.93 0.28 -5.20 1.61 1.57 -1.43 -3.42 116.57 111.92 2b3b h LYS 193 Ca 0.00 -0.29 -0.64 0.00 -1.87 0.00 0.00 60.65 57.86 2b3b h LYS 193 Cb 0.00 0.08 -0.21 0.00 0.08 0.00 0.00 32.23 32.17 2b3b h LYS 193 CO 0.00 0.98 -0.64 -1.17 -0.57 0.00 0.00 179.45 178.04 2b3b s LEU 194 N -7.62 3.36 0.38 2.94 2.96 -0.29 -5.00 118.68 115.42 2b3b s LEU 194 Ca -0.04 -0.13 -0.22 0.00 -0.22 0.00 0.00 54.13 53.52 2b3b s LEU 194 Cb 0.10 -1.84 -0.10 0.00 0.50 0.00 0.00 46.19 44.84 2b3b s LEU 194 CO 0.84 0.11 0.92 -0.54 -1.32 0.00 0.00 176.35 176.36 2b3b s LYS 195 N 0.72 4.33 0.58 1.98 1.02 -1.26 -4.20 119.74 122.91 2b3b s LYS 195 Ca 0.00 1.14 0.34 0.00 0.02 0.00 0.00 55.97 57.47 2b3b s LYS 195 Cb -0.14 -2.43 1.80 0.00 -0.52 0.00 0.00 37.83 36.54 2b3b s LYS 195 CO 0.02 0.10 2.18 0.74 -0.92 0.00 0.00 175.35 177.48 2b3b h PHE 196 N 2.40 0.00 -0.15 3.18 0.04 -1.94 -2.10 116.94 118.38 2b3b h PHE 196 Ca -0.48 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.29 2b3b h PHE 196 Cb 1.18 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.33 2b3b h PHE 196 CO 0.62 0.05 0.00 0.25 -0.60 0.00 0.00 178.31 178.63 2b3b n THR 197 N -3.45 0.18 -2.07 -1.55 -2.24 -1.26 -3.69 114.28 100.21 2b3b n THR 197 Ca -0.02 -0.35 -0.41 0.00 -2.27 0.00 0.00 64.05 61.00 2b3b n THR 197 Cb 0.17 0.43 -0.02 0.00 -2.10 0.00 0.00 70.33 68.80 2b3b n THR 197 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2b3b s ASP 198 N -1.64 6.72 0.37 3.42 -1.08 -0.79 -4.79 116.67 118.87 2b3b s ASP 198 Ca 0.33 2.65 0.18 0.00 -0.52 0.00 0.00 52.55 55.20 2b3b s ASP 198 Cb 0.18 -2.63 1.13 0.00 -1.46 0.00 0.00 42.92 40.14 2b3b s ASP 198 CO 0.28 -0.63 1.69 -0.65 0.52 0.00 0.00 175.17 176.38 2b3b h PRO 199 N 4.42 0.32 -0.65 4.34 0.11 -1.90 0.27 132.00 138.91 2b3b h PRO 199 Ca -0.47 -0.02 0.06 0.00 0.11 0.00 0.00 66.00 65.68 2b3b h PRO 199 Cb 1.22 -0.07 -0.05 0.00 0.11 0.00 0.00 31.00 32.20 2b3b h PRO 199 CO 0.73 0.21 0.36 0.87 -0.21 0.00 0.00 178.00 179.96 2b3b h LYS 200 N 0.33 0.64 0.06 1.05 1.57 -1.93 -2.30 116.57 115.98 2b3b h LYS 200 Ca 0.71 -0.04 -0.23 0.00 -1.87 0.00 0.00 60.65 59.21 2b3b h LYS 200 Cb 1.74 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 33.90 2b3b h LYS 200 CO -0.48 0.43 -1.06 0.00 -0.57 0.00 0.00 179.45 177.76 2b3b h ALA 201 N 1.34 0.29 -0.85 3.86 0.00 -0.83 -3.22 119.26 119.85 2b3b h ALA 201 Ca 0.29 -0.83 0.04 0.00 0.00 0.00 0.00 54.91 54.41 2b3b h ALA 201 Cb 0.19 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 17.87 2b3b h ALA 201 CO -0.18 1.01 0.56 0.28 0.00 0.00 0.00 179.25 180.91 2b3b h VAL 202 N 0.08 1.12 0.00 0.00 2.07 -0.85 -2.32 116.25 116.35 2b3b h VAL 202 Ca -0.08 -0.36 -0.01 0.00 0.82 0.00 0.00 66.70 67.08 2b3b h VAL 202 Cb 1.76 -0.01 -0.00 0.00 -1.52 0.00 0.00 31.29 31.53 2b3b h VAL 202 CO 0.16 0.19 -0.05 -0.09 0.02 0.00 0.00 177.57 177.80 2b3b h ARG 203 N 1.04 0.00 -0.66 1.57 2.43 -1.42 -1.58 114.38 115.76 2b3b h ARG 203 Ca 0.35 0.00 0.10 0.00 -0.81 0.00 0.00 59.98 59.61 2b3b h ARG 203 Cb 0.07 0.00 -0.07 0.00 -0.42 0.00 0.00 29.97 29.55 2b3b h ARG 203 CO -0.11 0.05 0.29 0.00 -1.51 0.00 0.00 179.97 178.69 2b3b h ALA 204 N 1.95 0.88 -0.06 2.80 0.00 -1.50 -1.46 119.26 121.87 2b3b h ALA 204 Ca -0.00 0.07 -0.12 0.00 0.00 0.00 0.00 54.91 54.86 2b3b h ALA 204 Cb 0.10 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 2b3b h ALA 204 CO 0.01 -0.13 -0.52 -1.49 0.00 0.00 0.00 179.25 177.12 2b3b h TRP 205 N 0.49 0.18 0.16 0.00 4.06 -1.40 -0.79 115.95 118.66 2b3b h TRP 205 Ca 0.33 -0.06 -0.01 0.00 2.06 0.00 0.00 58.89 61.21 2b3b h TRP 205 Cb 0.38 -0.04 0.00 0.00 -1.00 0.00 0.00 29.16 28.51 2b3b h TRP 205 CO -0.14 0.64 -0.08 1.49 -3.56 0.00 0.00 178.44 176.79 2b3b h GLU 206 N 0.12 -0.21 -0.54 0.49 4.22 -1.21 -0.40 114.58 117.05 2b3b h GLU 206 Ca 0.00 0.01 -0.05 0.00 0.08 0.00 0.00 59.36 59.40 2b3b h GLU 206 Cb 0.95 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.23 2b3b h GLU 206 CO 0.08 -0.04 0.14 0.28 -2.18 0.00 0.00 179.01 177.29 2b3b h VAL 207 N -0.35 1.24 -0.53 0.32 2.07 -1.25 -2.96 116.25 114.79 2b3b h VAL 207 Ca -0.02 -0.86 0.04 0.00 0.82 0.00 0.00 66.70 66.68 2b3b h VAL 207 Cb 0.28 0.76 -0.04 0.00 -1.52 0.00 0.00 31.29 30.77 2b3b h VAL 207 CO 0.04 0.32 0.28 0.15 0.02 0.00 0.00 177.57 178.38 2b3b h PHE 208 N 0.77 0.52 -0.87 1.57 3.57 -1.05 -1.99 116.94 119.45 2b3b h PHE 208 Ca 0.17 0.02 0.13 0.00 3.53 0.00 0.00 57.97 61.83 2b3b h PHE 208 Cb 0.33 -0.16 -0.07 0.00 2.79 0.00 0.00 35.95 38.85 2b3b h PHE 208 CO 0.02 0.27 0.56 0.78 -2.23 0.00 0.00 178.31 177.71 2b3b h GLY 209 N 0.55 1.17 1.19 2.40 0.00 -0.91 0.27 103.07 107.74 2b3b h GLY 209 Ca 0.23 -0.30 -0.25 0.00 0.00 0.00 0.00 47.33 47.00 2b3b h GLY 209 CO -0.14 0.11 -0.97 3.21 0.00 0.00 0.00 176.54 178.75 2b3b h ARG 210 N 0.70 0.72 -0.49 4.80 3.08 -1.28 -2.99 114.38 118.92 2b3b h ARG 210 Ca 0.43 -0.73 0.02 0.00 0.07 0.00 0.00 59.98 59.78 2b3b h ARG 210 Cb 0.67 0.20 -0.03 0.00 0.08 0.00 0.00 29.97 30.88 2b3b h ARG 210 CO -0.19 1.31 0.29 0.28 -1.07 0.00 0.00 179.97 180.59 2b3b h VAL 211 N 0.41 1.05 -0.30 2.04 2.07 -0.88 -2.49 116.25 118.15 2b3b h VAL 211 Ca -0.11 -0.20 0.08 0.00 0.82 0.00 0.00 66.70 67.29 2b3b h VAL 211 Cb 1.62 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 31.79 2b3b h VAL 211 CO 0.19 0.11 0.21 0.25 0.02 0.00 0.00 177.57 178.35 2b3b h LEU 212 N 0.58 0.04 0.00 2.57 5.85 -0.88 -0.73 115.31 122.74 2b3b h LEU 212 Ca 0.20 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.92 2b3b h LEU 212 Cb 0.02 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.04 2b3b h LEU 212 CO -0.09 0.03 0.00 0.47 -0.34 0.00 0.00 178.44 178.51 2b3b n ASP 213 N -4.46 0.00 -0.89 1.25 9.92 -0.94 -1.88 116.55 119.55 2b3b n ASP 213 Ca 0.04 -0.04 0.12 0.00 -0.53 0.00 0.00 54.79 54.38 2b3b n ASP 213 Cb 0.35 -0.25 0.20 0.00 -0.64 0.00 0.00 41.12 40.77 2b3b n ASP 213 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2b3b s ALA 215 N -1.93 3.72 0.35 0.00 0.00 -0.79 -0.92 121.76 122.19 2b3b s ALA 215 Ca 0.31 -0.90 -0.28 0.00 0.00 0.00 0.00 51.96 51.09 2b3b s ALA 215 Cb 0.20 -2.08 -0.11 0.00 0.00 0.00 0.00 23.12 21.14 2b3b s ALA 215 CO 0.31 0.07 1.39 0.54 0.00 0.00 0.00 175.76 178.06 2b3b s ASN 216 N -3.88 6.58 0.40 0.00 4.22 -1.04 -4.83 114.94 116.38 2b3b s ASN 216 Ca 0.40 2.85 0.27 0.00 -2.14 0.00 0.00 52.86 54.24 2b3b s ASN 216 Cb -0.10 -2.66 0.85 0.00 1.28 0.00 0.00 41.25 40.63 2b3b s ASN 216 CO 0.34 -0.69 1.77 0.11 -2.04 0.00 0.00 177.10 176.60 2b3b h LYS 217 N 3.25 0.00 -0.56 3.55 1.79 -1.95 -2.98 116.57 119.67 2b3b h LYS 217 Ca -0.50 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 57.97 2b3b h LYS 217 Cb 1.23 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.88 2b3b h LYS 217 CO 0.65 0.00 0.00 -0.40 -1.08 0.00 0.00 179.45 178.62 2b3b n ASP 218 N -2.79 2.97 -0.34 0.86 5.75 -1.26 -4.62 116.55 117.13 2b3b n ASP 218 Ca 0.03 -2.20 0.13 0.00 -0.01 0.00 0.00 54.79 52.74 2b3b n ASP 218 Cb 0.39 -0.41 0.33 0.00 -1.03 0.00 0.00 41.12 40.40 2b3b n ASP 218 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2b3b h ALA 219 N 3.64 1.72 -0.43 2.12 0.00 -1.73 -3.02 119.26 121.56 2b3b h ALA 219 Ca 0.00 0.06 0.08 0.00 0.00 0.00 0.00 54.91 55.05 2b3b h ALA 219 Cb 0.89 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 2b3b h ALA 219 CO 0.11 -0.05 0.29 0.00 0.00 0.00 0.00 179.25 179.60 2b3b h ALA 220 N 1.62 2.10 -0.72 0.00 0.00 -1.82 -1.55 119.26 118.89 2b3b h ALA 220 Ca 0.54 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.44 2b3b h ALA 220 Cb 0.85 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.59 2b3b h ALA 220 CO -0.32 -0.19 0.00 0.41 0.00 0.00 0.00 179.25 179.15 2b3b n GLY 221 N -1.55 2.50 3.74 0.00 0.00 -1.14 -4.21 105.19 104.53 2b3b n GLY 221 Ca 0.06 -0.81 -0.36 0.00 0.00 0.00 0.00 46.02 44.92 2b3b n GLY 221 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2b3b s LEU 222 N -1.16 3.88 0.92 0.99 1.43 -0.63 -4.95 118.68 119.15 2b3b s LEU 222 Ca 0.50 0.25 -0.12 0.00 -1.03 0.00 0.00 54.13 53.73 2b3b s LEU 222 Cb 0.27 -1.92 0.14 0.00 0.03 0.00 0.00 46.19 44.71 2b3b s LEU 222 CO 0.32 0.36 1.09 -0.94 0.23 0.00 0.00 176.35 177.41 2b3b s SER 223 N -0.77 3.27 0.27 2.29 1.04 -1.26 -0.38 113.70 118.15 2b3b s SER 223 Ca 0.12 1.46 -0.02 0.00 0.48 0.00 0.00 55.95 57.99 2b3b s SER 223 Cb -0.12 -2.14 0.36 0.00 0.10 0.00 0.00 66.02 64.22 2b3b s SER 223 CO 0.03 -2.77 1.82 4.11 0.98 0.00 0.00 173.24 177.41 2b3b h TRP 224 N -1.64 0.92 -0.76 5.02 5.08 -1.98 -1.68 115.95 120.91 2b3b h TRP 224 Ca -0.50 -0.08 -0.03 0.00 1.08 0.00 0.00 58.89 59.36 2b3b h TRP 224 Cb 1.29 -0.27 -0.03 0.00 -3.00 0.00 0.00 29.16 27.14 2b3b h TRP 224 CO 0.40 0.75 0.36 1.96 -1.28 0.00 0.00 178.44 180.64 2b3b h GLN 225 N 0.87 1.10 -0.48 0.12 7.50 -1.99 -1.56 115.11 120.67 2b3b h GLN 225 Ca 0.19 -0.16 -0.04 0.00 0.50 0.00 0.00 58.65 59.14 2b3b h GLN 225 Cb 0.27 -0.20 -0.02 0.00 0.05 0.00 0.00 27.48 27.58 2b3b h GLN 225 CO -0.01 0.86 0.13 1.96 -1.50 0.00 0.00 178.83 180.27 2b3b h GLN 226 N 1.08 0.71 -0.48 1.46 4.20 -1.76 0.89 115.11 121.21 2b3b h GLN 226 Ca 0.26 -0.13 -0.10 0.00 0.06 0.00 0.00 58.65 58.74 2b3b h GLN 226 Cb 0.12 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 27.77 2b3b h GLN 226 CO -0.03 0.64 -0.11 0.00 -0.67 0.00 0.00 178.83 178.66 2b3b h ALA 227 N 1.45 0.66 -0.28 3.87 0.00 -0.93 -2.40 119.26 121.63 2b3b h ALA 227 Ca 0.16 -0.34 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 2b3b h ALA 227 Cb 0.24 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 2b3b h ALA 227 CO -0.01 0.55 0.16 0.28 0.00 0.00 0.00 179.25 180.24 2b3b h VAL 228 N 0.76 1.11 -1.06 0.00 2.07 -0.92 -2.49 116.25 115.72 2b3b h VAL 228 Ca 0.12 -0.26 0.28 0.00 0.82 0.00 0.00 66.70 67.67 2b3b h VAL 228 Cb 0.66 0.78 -0.10 0.00 -1.52 0.00 0.00 31.29 31.11 2b3b h VAL 228 CO 0.05 0.10 0.68 0.44 0.02 0.00 0.00 177.57 178.86 2b3b h ASP 229 N 0.35 0.43 -0.90 0.57 3.32 -0.64 -0.05 116.42 119.49 2b3b h ASP 229 Ca 0.10 0.09 -0.02 0.00 0.02 0.00 0.00 57.03 57.22 2b3b h ASP 229 Cb 0.02 0.02 -0.04 0.00 0.22 0.00 0.00 39.33 39.55 2b3b h ASP 229 CO -0.02 0.06 0.50 0.03 -1.72 0.00 0.00 179.24 178.09 2b3b h ARG 230 N 0.37 1.26 -0.05 3.56 3.08 -0.96 0.31 114.38 121.95 2b3b h ARG 230 Ca 0.61 -0.15 -0.01 0.00 0.07 0.00 0.00 59.98 60.51 2b3b h ARG 230 Cb 1.59 -0.25 -0.00 0.00 0.08 0.00 0.00 29.97 31.39 2b3b h ARG 230 CO -0.31 0.92 -0.01 0.28 -1.07 0.00 0.00 179.97 179.79 2b3b h VAL 231 N 1.26 1.27 -0.45 2.04 2.07 -1.03 0.33 116.25 121.75 2b3b h VAL 231 Ca 0.32 -0.85 0.08 0.00 0.82 0.00 0.00 66.70 67.07 2b3b h VAL 231 Cb 0.02 1.74 -0.02 0.00 -1.52 0.00 0.00 31.29 31.51 2b3b h VAL 231 CO -0.05 0.23 0.31 0.58 0.02 0.00 0.00 177.57 178.66 2b3b h VAL 232 N -0.22 0.91 0.00 2.57 2.07 -0.87 -1.39 116.25 119.32 2b3b h VAL 232 Ca 0.01 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 67.44 2b3b h VAL 232 Cb 0.37 0.62 0.00 0.00 -1.52 0.00 0.00 31.29 30.76 2b3b h VAL 232 CO 0.00 0.05 -0.23 0.00 0.02 0.00 0.00 177.57 177.41 2b3b n GLN 233 N -4.46 0.04 -1.03 1.57 6.02 0.05 -4.93 117.38 114.64 2b3b n GLN 233 Ca 0.06 0.02 -0.01 0.00 -0.01 0.00 0.00 57.00 57.07 2b3b n GLN 233 Cb 0.33 -1.54 -0.00 0.00 1.02 0.00 0.00 30.24 30.05 2b3b n GLN 233 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2b3b n GLY 234 N 1.47 0.47 0.02 1.08 0.00 -0.52 -4.88 105.19 102.83 2b3b n GLY 234 Ca 0.06 -0.21 0.15 0.00 0.00 0.00 0.00 46.02 46.02 2b3b n GLY 234 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2b3b n LYS 235 N -2.39 0.62 -3.86 1.61 5.02 0.05 -4.81 118.16 114.40 2b3b n LYS 235 Ca -0.01 -0.04 -0.09 0.00 -2.02 0.00 0.00 58.31 56.15 2b3b n LYS 235 Cb 0.10 -1.50 -0.07 0.00 -0.02 0.00 0.00 35.03 33.55 2b3b n LYS 235 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2b3b s ALA 236 N -2.41 -0.26 -0.15 7.82 0.00 -0.85 -4.61 121.76 121.29 2b3b s ALA 236 Ca 0.33 -0.62 0.02 0.00 0.00 0.00 0.00 51.96 51.69 2b3b s ALA 236 Cb 0.21 0.65 -0.23 0.00 0.00 0.00 0.00 23.12 23.74 2b3b s ALA 236 CO 0.44 -0.58 0.24 0.00 0.00 0.00 0.00 175.76 175.86 2b3b n ALA 237 N -0.14 1.20 -2.59 0.00 0.00 0.15 -4.35 120.51 114.77 2b3b n ALA 237 Ca -0.12 -0.83 -0.12 0.00 0.00 0.00 0.00 53.44 52.36 2b3b n ALA 237 Cb 0.63 -0.51 -0.11 0.00 0.00 0.00 0.00 19.45 19.46 2b3b n ALA 237 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 2b3b s PHE 238 N -2.55 0.75 -0.14 0.00 0.08 -0.51 -4.34 117.98 111.27 2b3b s PHE 238 Ca -0.21 -0.67 -0.09 0.00 0.12 0.00 0.00 56.93 56.09 2b3b s PHE 238 Cb 0.07 -0.44 0.05 0.00 -0.57 0.00 0.00 43.02 42.13 2b3b s PHE 238 CO 0.74 -0.12 0.33 1.21 -0.10 0.00 0.00 175.22 177.29 2b3b s ASN 239 N -2.15 -0.38 -0.36 1.36 2.47 -0.99 -0.34 114.94 114.55 2b3b s ASN 239 Ca -0.02 0.71 -0.12 0.00 0.42 0.00 0.00 52.86 53.85 2b3b s ASN 239 Cb -0.04 0.63 0.01 0.00 -1.45 0.00 0.00 41.25 40.40 2b3b s ASN 239 CO -0.02 -0.16 0.23 -0.63 -3.72 0.00 0.00 177.10 172.81 2b3b s ILE 240 N 0.95 4.97 0.05 -5.21 -1.09 -1.26 -0.93 121.20 118.68 2b3b s ILE 240 Ca -0.06 -0.56 -0.26 0.00 -2.23 0.00 0.00 60.65 57.55 2b3b s ILE 240 Cb -0.07 -3.67 0.06 0.00 -1.58 0.00 0.00 42.46 37.21 2b3b s ILE 240 CO -0.07 -0.15 0.60 -0.32 -1.23 0.00 0.00 174.94 173.78 2b3b s MET 241 N 1.65 1.13 0.98 2.79 1.75 -0.59 -4.60 119.30 122.40 2b3b s MET 241 Ca 0.04 -0.14 -0.11 0.00 -1.25 0.00 0.00 55.69 54.23 2b3b s MET 241 Cb -0.18 0.52 0.18 0.00 2.84 0.00 0.00 34.83 38.19 2b3b s MET 241 CO 0.09 -0.42 1.09 0.20 -0.65 0.00 0.00 175.02 175.32 2b3b s GLY 242 N -1.97 1.62 0.00 2.11 0.00 -1.23 -3.86 107.32 103.99 2b3b s GLY 242 Ca -0.05 0.16 0.07 0.00 0.00 0.00 0.00 44.72 44.90 2b3b s GLY 242 CO -0.02 0.69 1.25 2.09 0.00 0.00 0.00 173.10 177.12 2b3b n ASP 243 N -4.31 0.07 0.28 1.64 5.68 -0.94 -1.57 116.55 117.40 2b3b n ASP 243 Ca 0.08 -1.80 0.17 0.00 -0.50 0.00 0.00 54.79 52.74 2b3b n ASP 243 Cb 0.54 -0.01 0.94 0.00 -1.14 0.00 0.00 41.12 41.45 2b3b n ASP 243 CO 0.00 0.00 0.00 4.11 -1.33 0.00 0.00 177.20 179.98 2b3b h TRP 244 N 0.08 0.00 -0.69 2.11 0.09 -1.81 -2.02 115.95 113.70 2b3b h TRP 244 Ca 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 58.89 58.96 2b3b h TRP 244 Cb 0.02 0.00 -0.03 0.00 0.08 0.00 0.00 29.16 29.23 2b3b h TRP 244 CO 0.01 0.00 0.37 0.00 0.09 0.00 0.00 178.44 178.91 2b3b h ALA 245 N 1.87 0.89 -0.47 0.11 0.00 -1.58 -0.05 119.26 120.03 2b3b h ALA 245 Ca 0.03 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2b3b h ALA 245 Cb 0.21 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 2b3b h ALA 245 CO -0.00 0.41 0.31 0.00 0.00 0.00 0.00 179.25 179.97 2b3b h ALA 246 N 1.18 0.60 -0.69 0.00 0.00 -1.60 -0.28 119.26 118.47 2b3b h ALA 246 Ca 0.24 -0.04 0.08 0.00 0.00 0.00 0.00 54.91 55.19 2b3b h ALA 246 Cb 0.06 -0.19 -0.06 0.00 0.00 0.00 0.00 17.79 17.59 2b3b h ALA 246 CO -0.04 0.06 0.36 0.78 0.00 0.00 0.00 179.25 180.41 2b3b h GLY 247 N 0.64 1.03 0.97 0.00 0.00 -1.33 -1.37 103.07 103.01 2b3b h GLY 247 Ca 0.17 -0.24 -0.01 0.00 0.00 0.00 0.00 47.33 47.25 2b3b h GLY 247 CO -0.04 0.11 -0.06 -1.82 0.00 0.00 0.00 176.54 174.73 2b3b h TYR 248 N 0.65 -0.16 -0.04 5.60 3.20 -0.41 0.17 116.97 125.98 2b3b h TYR 248 Ca 0.33 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 62.16 2b3b h TYR 248 Cb 0.28 0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.60 2b3b h TYR 248 CO -0.09 -0.07 -0.12 0.52 -1.64 0.00 0.00 178.16 176.75 2b3b h MET 249 N -0.21 0.05 0.00 1.82 2.86 -0.80 -1.35 114.93 117.30 2b3b h MET 249 Ca -0.02 -0.01 -0.17 0.00 -2.06 0.00 0.00 59.70 57.44 2b3b h MET 249 Cb 0.16 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 31.79 2b3b h MET 249 CO 0.03 0.18 -1.37 0.25 1.06 0.00 0.00 176.91 177.06 2b3b n THR 250 N -4.37 1.50 -0.15 2.22 -2.24 -0.54 -0.27 114.28 110.43 2b3b n THR 250 Ca -0.02 -0.02 -0.10 0.00 -2.27 0.00 0.00 64.05 61.64 2b3b n THR 250 Cb 0.21 -2.17 -0.01 0.00 -2.10 0.00 0.00 70.33 66.26 2b3b n THR 250 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 2b3b h THR 251 N -1.00 1.25 0.00 4.28 2.02 -0.76 -1.95 112.91 116.75 2b3b h THR 251 Ca -0.26 -0.96 -0.27 0.00 0.77 0.00 0.00 66.41 65.69 2b3b h THR 251 Cb 1.12 1.02 -0.04 0.00 -1.74 0.00 0.00 68.15 68.51 2b3b h THR 251 CO -0.16 0.33 -1.61 0.41 0.37 0.00 0.00 175.52 174.86 2b3b n THR 252 N -4.44 1.52 0.95 3.16 -1.04 -0.59 -4.48 114.28 109.36 2b3b n THR 252 Ca 0.00 -0.11 0.13 0.00 -2.04 0.00 0.00 64.05 62.03 2b3b n THR 252 Cb 0.27 -2.05 0.39 0.00 -1.82 0.00 0.00 70.33 67.11 2b3b n THR 252 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 2b3b n LEU 253 N -4.39 0.34 -2.60 -4.42 4.77 -0.73 -4.94 117.00 105.03 2b3b n LEU 253 Ca -0.36 0.23 -0.21 0.00 -0.03 0.00 0.00 56.01 55.64 2b3b n LEU 253 Cb 0.69 -0.34 0.00 0.00 -2.33 0.00 0.00 43.42 41.44 2b3b n LEU 253 CO 0.12 0.05 -0.18 0.29 -1.33 0.00 0.00 177.39 176.35 2b3b n LYS 254 N -1.57 -2.69 -2.81 3.23 4.76 -0.73 -4.93 118.16 113.42 2b3b n LYS 254 Ca 0.06 0.95 -0.34 0.00 -2.87 0.00 0.00 58.31 56.11 2b3b n LYS 254 Cb 0.35 -5.67 -0.07 0.00 -1.84 0.00 0.00 35.03 27.80 2b3b n LYS 254 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2b3b s LEU 255 N -6.21 4.05 -0.23 -0.35 1.43 0.63 -4.97 118.68 113.03 2b3b s LEU 255 Ca 0.10 1.73 -0.20 0.00 -1.03 0.00 0.00 54.13 54.72 2b3b s LEU 255 Cb -0.04 -4.40 -0.02 0.00 0.03 0.00 0.00 46.19 41.76 2b3b s LEU 255 CO 0.12 -0.28 0.61 -0.54 0.23 0.00 0.00 176.35 176.49 2b3b s LYS 256 N -2.87 4.16 0.22 1.70 1.02 -1.26 -4.33 119.74 118.37 2b3b s LYS 256 Ca 0.59 0.54 -0.31 0.00 0.02 0.00 0.00 55.97 56.81 2b3b s LYS 256 Cb -0.12 -3.61 -0.11 0.00 -0.52 0.00 0.00 37.83 33.48 2b3b s LYS 256 CO 0.16 -0.31 1.58 -1.25 -0.92 0.00 0.00 175.35 174.61 2b3b s PRO 257 N 2.16 4.19 0.00 -1.68 0.04 -1.26 -0.83 135.00 137.61 2b3b s PRO 257 Ca 0.27 2.45 0.00 0.00 0.04 0.00 0.00 61.00 63.75 2b3b s PRO 257 Cb -0.16 -3.10 0.00 0.00 0.04 0.00 0.00 34.50 31.28 2b3b s PRO 257 CO 0.09 -0.60 0.00 0.41 0.04 0.00 0.00 177.00 176.94 2b3b n GLY 258 N 3.12 2.99 0.35 0.56 0.00 0.24 -4.72 105.19 107.71 2b3b n GLY 258 Ca 0.11 -0.60 -0.22 0.00 0.00 0.00 0.00 46.02 45.32 2b3b n GLY 258 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2b3b n THR 259 N 0.00 1.16 0.16 2.61 -2.24 -1.18 -4.65 114.28 110.15 2b3b n THR 259 Ca 0.00 -0.28 0.08 0.00 -2.27 0.00 0.00 64.05 61.58 2b3b n THR 259 Cb 0.00 -1.80 0.08 0.00 -2.10 0.00 0.00 70.33 66.51 2b3b n THR 259 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 2b3b h ASP 260 N -0.76 0.00 -5.04 3.42 3.32 -1.27 -3.42 116.42 112.67 2b3b h ASP 260 Ca -0.52 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 56.48 2b3b h ASP 260 Cb 1.45 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 40.86 2b3b h ASP 260 CO -0.32 0.19 0.03 0.72 -1.72 0.00 0.00 179.24 178.14 2b3b s PHE 261 N -3.15 -0.36 0.34 4.55 -0.12 -1.21 -4.77 117.98 113.28 2b3b s PHE 261 Ca 0.04 0.19 0.05 0.00 -0.05 0.00 0.00 56.93 57.16 2b3b s PHE 261 Cb 0.07 0.36 -0.03 0.00 -0.63 0.00 0.00 43.02 42.79 2b3b s PHE 261 CO 0.73 -0.72 0.21 0.00 -0.05 0.00 0.00 175.22 175.39 2b3b s ALA 262 N -3.33 2.15 0.01 1.99 0.00 0.36 0.79 121.76 123.73 2b3b s ALA 262 Ca -0.00 -1.76 -0.15 0.00 0.00 0.00 0.00 51.96 50.04 2b3b s ALA 262 Cb 0.00 1.23 0.02 0.00 0.00 0.00 0.00 23.12 24.37 2b3b s ALA 262 CO -0.09 -0.55 0.33 1.67 0.00 0.00 0.00 175.76 177.12 2b3b s TRP 263 N -3.43 -0.17 0.11 0.00 -2.14 -1.26 -2.20 118.94 109.84 2b3b s TRP 263 Ca 0.35 0.18 -0.12 0.00 2.66 0.00 0.00 56.10 59.17 2b3b s TRP 263 Cb 0.03 0.12 0.01 0.00 -3.10 0.00 0.00 33.47 30.53 2b3b s TRP 263 CO 0.22 -0.45 0.29 0.00 -2.66 0.00 0.00 176.95 174.34 2b3b s ALA 264 N -1.87 -0.51 0.62 2.67 0.00 -0.29 -4.99 121.76 117.40 2b3b s ALA 264 Ca -0.10 -0.39 -0.18 0.00 0.00 0.00 0.00 51.96 51.29 2b3b s ALA 264 Cb -0.03 0.59 -0.04 0.00 0.00 0.00 0.00 23.12 23.64 2b3b s ALA 264 CO 0.01 -0.58 0.91 -2.30 0.00 0.00 0.00 175.76 173.80 2b3b n PRO 265 N -0.14 0.77 -1.62 0.00 -0.02 -1.26 -0.02 135.00 132.72 2b3b n PRO 265 Ca -0.15 0.31 -0.43 0.00 -2.02 0.00 0.00 63.50 61.20 2b3b n PRO 265 Cb 0.63 -2.12 -0.01 0.00 -0.02 0.00 0.00 33.50 31.98 2b3b n PRO 265 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 2b3b n SER 266 N -0.80 1.65 -4.56 2.55 7.64 0.10 -4.38 113.62 115.82 2b3b n SER 266 Ca 0.14 1.16 -0.54 0.00 1.01 0.00 0.00 58.87 60.63 2b3b n SER 266 Cb 0.48 -1.35 -0.07 0.00 -1.01 0.00 0.00 64.21 62.26 2b3b n SER 266 CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 2b3b n PRO 267 N 0.57 0.79 -0.82 1.43 -0.02 -1.26 -1.76 135.00 133.92 2b3b n PRO 267 Ca 0.08 0.28 0.00 0.00 -2.02 0.00 0.00 63.50 61.85 2b3b n PRO 267 Cb 0.34 -1.87 0.00 0.00 -0.02 0.00 0.00 33.50 31.95 2b3b n PRO 267 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2b3b n GLY 268 N 2.19 0.58 0.00 -1.23 0.00 -0.43 -4.58 105.19 101.72 2b3b n GLY 268 Ca 0.19 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.13 2b3b n GLY 268 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2b3b n THR 269 N -2.82 0.56 -1.70 2.61 -2.24 -0.72 -4.34 114.28 105.63 2b3b n THR 269 Ca 0.00 -0.56 -0.44 0.00 -2.27 0.00 0.00 64.05 60.78 2b3b n THR 269 Cb 0.00 0.72 -0.03 0.00 -2.10 0.00 0.00 70.33 68.92 2b3b n THR 269 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2b3b n GLN 270 N -0.28 2.39 -0.15 -0.78 3.00 -1.26 -1.33 117.38 118.97 2b3b n GLN 270 Ca 0.00 0.86 0.00 0.00 -0.01 0.00 0.00 57.00 57.85 2b3b n GLN 270 Cb 0.36 -2.62 0.00 0.00 0.00 0.00 0.00 30.24 27.98 2b3b n GLN 270 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2b3b n GLY 271 N 2.95 0.91 3.29 1.08 0.00 -1.26 -5.04 105.19 107.13 2b3b n GLY 271 Ca 0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 2b3b n GLY 271 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2b3b s VAL 272 N -2.51 2.35 -0.31 1.61 1.01 -0.44 -1.44 120.40 120.67 2b3b s VAL 272 Ca 0.00 -0.94 -0.03 0.00 0.00 0.00 0.00 61.98 61.00 2b3b s VAL 272 Cb 0.00 -1.90 0.05 0.00 0.00 0.00 0.00 36.38 34.53 2b3b s VAL 272 CO 0.00 0.56 0.04 0.12 0.00 0.00 0.00 175.10 175.82 2b3b s PHE 273 N 0.03 3.26 -0.49 5.22 5.99 0.67 -4.95 117.98 127.70 2b3b s PHE 273 Ca -0.08 -1.70 -0.24 0.00 0.00 0.00 0.00 56.93 54.91 2b3b s PHE 273 Cb -0.15 -2.17 0.03 0.00 0.00 0.00 0.00 43.02 40.73 2b3b s PHE 273 CO 0.05 -0.78 0.85 1.41 -0.00 0.00 0.00 175.22 176.76 2b3b s MET 274 N 1.31 3.38 0.31 10.12 -2.45 -1.26 -1.65 119.30 129.06 2b3b s MET 274 Ca -0.04 -0.18 0.07 0.00 -1.25 0.00 0.00 55.69 54.29 2b3b s MET 274 Cb -0.20 -3.99 -0.02 0.00 1.25 0.00 0.00 34.83 31.87 2b3b s MET 274 CO 0.00 -1.27 0.37 0.00 1.05 0.00 0.00 175.02 175.17 2b3b s MET 275 N 3.55 3.02 0.20 4.11 0.23 0.77 -0.76 119.30 130.42 2b3b s MET 275 Ca 0.30 -1.07 -0.11 0.00 -1.03 0.00 0.00 55.69 53.79 2b3b s MET 275 Cb -0.12 -2.70 -0.00 0.00 -1.53 0.00 0.00 34.83 30.48 2b3b s MET 275 CO 0.21 0.17 0.37 -0.48 -2.03 0.00 0.00 175.02 173.25 2b3b s LEU 276 N -4.05 0.65 -0.10 0.18 2.34 -0.49 -1.15 118.68 116.06 2b3b s LEU 276 Ca 0.41 -0.86 -0.04 0.00 0.06 0.00 0.00 54.13 53.69 2b3b s LEU 276 Cb -0.08 1.45 0.05 0.00 -0.56 0.00 0.00 46.19 47.05 2b3b s LEU 276 CO 0.29 -0.99 0.22 -0.55 -1.06 0.00 0.00 176.35 174.26 2b3b s SER 277 N -2.98 0.12 0.08 1.48 0.15 -1.26 -1.25 113.70 110.04 2b3b s SER 277 Ca 0.19 0.49 -0.30 0.00 0.70 0.00 0.00 55.95 57.03 2b3b s SER 277 Cb 0.02 0.46 -0.05 0.00 -1.71 0.00 0.00 66.02 64.73 2b3b s SER 277 CO 0.03 -0.20 0.99 -1.81 1.20 0.00 0.00 173.24 173.45 2b3b s ASP 278 N 1.80 7.41 0.12 5.45 1.01 -1.26 -1.34 116.67 129.86 2b3b s ASP 278 Ca -0.04 1.79 -0.05 0.00 0.71 0.00 0.00 52.55 54.96 2b3b s ASP 278 Cb -0.11 -2.58 -0.02 0.00 1.01 0.00 0.00 42.92 41.21 2b3b s ASP 278 CO -0.08 -0.16 0.15 -0.94 0.21 0.00 0.00 175.17 174.35 2b3b s SER 279 N 0.37 0.21 -0.02 0.27 1.04 -0.03 -0.60 113.70 114.93 2b3b s SER 279 Ca 0.49 -0.95 0.04 0.00 0.48 0.00 0.00 55.95 56.01 2b3b s SER 279 Cb -0.23 0.34 -0.00 0.00 0.10 0.00 0.00 66.02 66.22 2b3b s SER 279 CO 0.30 -0.76 -0.13 -0.36 0.98 0.00 0.00 173.24 173.26 2b3b s PHE 280 N -3.96 1.28 0.00 5.02 0.08 -0.28 -0.95 117.98 119.16 2b3b s PHE 280 Ca 0.15 -0.30 0.00 0.00 0.12 0.00 0.00 56.93 56.90 2b3b s PHE 280 Cb 0.06 -0.86 0.00 0.00 -0.57 0.00 0.00 43.02 41.65 2b3b s PHE 280 CO -0.03 -0.09 0.00 0.41 -0.10 0.00 0.00 175.22 175.41 2b3b n GLY 281 N 3.03 3.96 2.90 4.36 0.00 -1.26 -0.14 105.19 118.05 2b3b n GLY 281 Ca -0.17 -2.19 -0.30 0.00 0.00 0.00 0.00 46.02 43.37 2b3b n GLY 281 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2b3b s LEU 282 N 0.00 3.84 0.36 0.99 2.96 -1.26 -4.42 118.68 121.15 2b3b s LEU 282 Ca 0.00 -2.23 -0.28 0.00 -0.22 0.00 0.00 54.13 51.40 2b3b s LEU 282 Cb 0.00 -1.38 -0.11 0.00 0.50 0.00 0.00 46.19 45.20 2b3b s LEU 282 CO 0.00 -0.35 1.44 -2.65 -1.32 0.00 0.00 176.35 173.47 2b3b n PRO 283 N 4.12 2.54 -2.14 0.98 -0.02 -1.26 -0.17 135.00 139.05 2b3b n PRO 283 Ca 0.03 0.89 -0.40 0.00 -2.02 0.00 0.00 63.50 62.00 2b3b n PRO 283 Cb 0.39 -2.59 -0.02 0.00 -0.02 0.00 0.00 33.50 31.27 2b3b n PRO 283 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 2b3b s LYS 284 N -1.97 4.22 0.00 -0.52 1.02 0.36 -2.76 119.74 120.09 2b3b s LYS 284 Ca 0.54 2.13 0.00 0.00 0.02 0.00 0.00 55.97 58.66 2b3b s LYS 284 Cb -0.50 -2.94 0.00 0.00 -0.52 0.00 0.00 37.83 33.87 2b3b s LYS 284 CO 0.63 -0.27 0.00 0.41 -0.92 0.00 0.00 175.35 175.20 2b3b n GLY 285 N 0.76 0.80 3.64 -3.33 0.00 -1.26 -4.83 105.19 100.96 2b3b n GLY 285 Ca 0.01 0.00 -0.52 0.00 0.00 0.00 0.00 46.02 45.52 2b3b n GLY 285 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2b3b n ALA 286 N 0.45 -0.24 0.23 4.61 0.00 -1.11 -4.80 120.51 119.64 2b3b n ALA 286 Ca 0.00 0.46 0.07 0.00 0.00 0.00 0.00 53.44 53.97 2b3b n ALA 286 Cb 0.00 -2.19 0.53 0.00 0.00 0.00 0.00 19.45 17.79 2b3b n ALA 286 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2b3b h LYS 287 N 5.69 0.00 -2.16 0.00 1.57 -1.87 -3.31 116.57 116.49 2b3b h LYS 287 Ca -0.47 0.00 -0.58 0.00 -1.87 0.00 0.00 60.65 57.73 2b3b h LYS 287 Cb 1.31 0.00 -0.41 0.00 0.08 0.00 0.00 32.23 33.21 2b3b h LYS 287 CO 0.85 0.21 -0.75 0.09 -0.57 0.00 0.00 179.45 179.28 2b3b n ASN 288 N -4.08 3.00 -0.18 0.86 3.02 -1.26 -4.96 115.26 111.66 2b3b n ASN 288 Ca -0.02 -3.32 -0.07 0.00 -0.03 0.00 0.00 54.58 51.14 2b3b n ASN 288 Cb 0.28 -0.64 0.02 0.00 -0.61 0.00 0.00 39.78 38.84 2b3b n ASN 288 CO 0.00 0.00 0.00 -0.09 -2.62 0.00 0.00 177.26 174.55 2b3b h ARG 289 N 3.80 0.70 -0.22 3.52 2.43 -1.94 -1.93 114.38 120.74 2b3b h ARG 289 Ca 0.15 -0.05 -0.17 0.00 -0.81 0.00 0.00 59.98 59.11 2b3b h ARG 289 Cb 0.69 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 30.09 2b3b h ARG 289 CO 0.74 0.47 -0.52 0.37 -1.51 0.00 0.00 179.97 179.51 2b3b h GLN 290 N 0.71 0.74 -0.60 0.20 5.75 -1.94 -1.35 115.11 118.62 2b3b h GLN 290 Ca 0.19 -0.50 0.02 0.00 -0.15 0.00 0.00 58.65 58.21 2b3b h GLN 290 Cb -0.07 0.07 -0.03 0.00 1.07 0.00 0.00 27.48 28.52 2b3b h GLN 290 CO -0.04 1.12 0.40 -0.91 -2.65 0.00 0.00 178.83 176.75 2b3b h ASN 291 N 0.46 0.64 -0.22 -0.69 2.35 -1.84 -0.84 115.58 115.45 2b3b h ASN 291 Ca -0.00 -0.01 -0.09 0.00 -0.55 0.00 0.00 56.30 55.65 2b3b h ASN 291 Cb 1.13 -0.16 -0.00 0.00 0.05 0.00 0.00 38.32 39.34 2b3b h ASN 291 CO 0.11 0.46 -0.20 0.00 -1.65 0.00 0.00 177.43 176.15 2b3b h ALA 292 N 1.64 0.32 -0.77 -0.83 0.00 -1.13 -1.65 119.26 116.83 2b3b h ALA 292 Ca 0.23 -0.35 0.09 0.00 0.00 0.00 0.00 54.91 54.87 2b3b h ALA 292 Cb -0.01 -0.07 -0.07 0.00 0.00 0.00 0.00 17.79 17.65 2b3b h ALA 292 CO -0.06 0.25 0.43 0.82 0.00 0.00 0.00 179.25 180.70 2b3b h ILE 293 N 0.21 0.91 -0.29 0.00 2.04 -0.74 0.36 117.51 120.01 2b3b h ILE 293 Ca 0.04 -0.25 -0.04 0.00 1.00 0.00 0.00 64.86 65.61 2b3b h ILE 293 Cb 0.74 0.11 -0.02 0.00 -0.74 0.00 0.00 36.82 36.91 2b3b h ILE 293 CO 0.05 0.14 0.02 0.78 0.00 0.00 0.00 178.15 179.13 2b3b h ASN 294 N 0.74 0.39 -0.41 1.72 2.35 -0.97 -1.18 115.58 118.22 2b3b h ASN 294 Ca 0.37 -0.06 -0.04 0.00 -0.55 0.00 0.00 56.30 56.02 2b3b h ASN 294 Cb 0.32 -0.10 -0.02 0.00 0.05 0.00 0.00 38.32 38.57 2b3b h ASN 294 CO -0.24 0.44 0.08 -0.25 -1.65 0.00 0.00 177.43 175.82 2b3b h TRP 295 N 0.41 0.71 -0.88 1.19 2.91 -0.06 -2.25 115.95 117.98 2b3b h TRP 295 Ca 0.09 -0.09 0.05 0.00 1.13 0.00 0.00 58.89 60.08 2b3b h TRP 295 Cb 0.25 -0.20 -0.06 0.00 -0.51 0.00 0.00 29.16 28.64 2b3b h TRP 295 CO 0.01 0.68 0.55 -0.07 -1.03 0.00 0.00 178.44 178.58 2b3b h LEU 296 N 0.53 0.89 -0.92 0.65 3.38 -0.32 -0.86 115.31 118.65 2b3b h LEU 296 Ca 0.13 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.09 2b3b h LEU 296 Cb 0.34 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.87 2b3b h LEU 296 CO 0.00 0.58 0.47 0.03 0.09 0.00 0.00 178.44 179.62 2b3b h ARG 297 N 1.03 1.24 -0.01 1.13 3.08 -1.10 -0.89 114.38 118.86 2b3b h ARG 297 Ca 0.37 -0.15 -0.00 0.00 0.07 0.00 0.00 59.98 60.27 2b3b h ARG 297 Cb 0.13 -0.24 -0.00 0.00 0.08 0.00 0.00 29.97 29.94 2b3b h ARG 297 CO -0.16 0.91 -0.00 1.25 -1.07 0.00 0.00 179.97 180.90 2b3b h LEU 298 N 1.24 0.02 -1.62 3.04 5.85 -0.78 -2.98 115.31 120.09 2b3b h LEU 298 Ca 0.31 -0.39 -0.04 0.00 0.84 0.00 0.00 57.88 58.60 2b3b h LEU 298 Cb 0.04 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.06 2b3b h LEU 298 CO -0.05 0.41 -0.21 -0.37 -0.34 0.00 0.00 178.44 177.89 2b3b h VAL 299 N -0.36 1.07 0.00 1.05 -1.51 -1.06 -1.74 116.25 113.70 2b3b h VAL 299 Ca 0.00 -0.72 0.00 0.00 -1.23 0.00 0.00 66.70 64.75 2b3b h VAL 299 Cb 0.40 1.40 0.00 0.00 -2.13 0.00 0.00 31.29 30.95 2b3b h VAL 299 CO 0.00 0.20 0.00 0.61 -1.23 0.00 0.00 177.57 177.15 2b3b n GLY 300 N -0.88 -1.17 3.94 5.19 0.00 -0.35 -4.53 105.19 107.40 2b3b n GLY 300 Ca -0.02 -0.12 -0.24 0.00 0.00 0.00 0.00 46.02 45.63 2b3b n GLY 300 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2b3b s SER 301 N -2.60 6.33 0.20 1.61 1.04 -0.65 -4.95 113.70 114.68 2b3b s SER 301 Ca 0.24 0.37 -0.05 0.00 0.48 0.00 0.00 55.95 56.99 2b3b s SER 301 Cb 0.18 -2.00 0.14 0.00 0.10 0.00 0.00 66.02 64.45 2b3b s SER 301 CO 0.41 -0.19 1.58 0.50 0.98 0.00 0.00 173.24 176.52 2b3b h LYS 302 N 1.14 0.74 -0.06 4.02 3.64 -1.92 -1.35 116.57 122.79 2b3b h LYS 302 Ca -0.50 -0.34 0.01 0.00 -1.27 0.00 0.00 60.65 58.55 2b3b h LYS 302 Cb 1.21 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 33.01 2b3b h LYS 302 CO 0.63 0.96 -0.00 1.49 -2.27 0.00 0.00 179.45 180.26 2b3b h GLU 303 N 0.63 0.02 0.27 1.90 4.81 -1.95 -0.56 114.58 119.69 2b3b h GLU 303 Ca 0.07 -0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.28 2b3b h GLU 303 Cb 0.85 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.23 2b3b h GLU 303 CO 0.07 0.01 -0.13 0.78 -0.73 0.00 0.00 179.01 179.01 2b3b h GLY 304 N 0.02 -0.38 1.71 1.92 0.00 -1.67 -2.28 103.07 102.38 2b3b h GLY 304 Ca 0.03 0.14 -0.12 0.00 0.00 0.00 0.00 47.33 47.37 2b3b h GLY 304 CO -0.05 -0.14 -0.46 1.46 0.00 0.00 0.00 176.54 177.35 2b3b h GLN 305 N -0.40 0.32 -0.00 4.80 4.20 -1.24 -1.40 115.11 121.39 2b3b h GLN 305 Ca -0.04 -0.17 0.00 0.00 0.06 0.00 0.00 58.65 58.50 2b3b h GLN 305 Cb 0.31 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.10 2b3b h GLN 305 CO 0.06 0.72 -0.24 -0.25 -0.67 0.00 0.00 178.83 178.45 2b3b n ASP 306 N -3.99 0.37 -0.08 1.46 8.00 -0.22 -1.82 116.55 120.27 2b3b n ASP 306 Ca -0.02 -0.13 -0.16 0.00 0.71 0.00 0.00 54.79 55.19 2b3b n ASP 306 Cb 0.52 -0.06 -0.13 0.00 -0.02 0.00 0.00 41.12 41.44 2b3b n ASP 306 CO 0.00 0.00 0.00 0.74 -0.39 0.00 0.00 177.20 177.55 2b3b h THR 307 N 0.20 1.54 -0.03 -3.53 2.02 -1.02 -3.42 112.91 108.67 2b3b h THR 307 Ca 0.00 -2.30 -0.10 0.00 0.77 0.00 0.00 66.41 64.78 2b3b h THR 307 Cb 0.47 3.06 0.01 0.00 -1.74 0.00 0.00 68.15 69.94 2b3b h THR 307 CO 0.00 0.52 -0.37 0.77 0.37 0.00 0.00 175.52 176.82 2b3b h SER 308 N -1.00 0.38 -0.04 4.18 4.64 -1.32 -3.38 113.55 117.01 2b3b h SER 308 Ca -0.10 -0.71 -0.12 0.00 -0.47 0.00 0.00 61.79 60.39 2b3b h SER 308 Cb 1.09 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 63.06 2b3b h SER 308 CO -0.06 1.03 -0.36 0.78 -0.87 0.00 0.00 176.83 177.35 2b3b h ASN 309 N -0.24 0.56 -0.66 4.97 2.35 -1.60 -2.51 115.58 118.45 2b3b h ASN 309 Ca -0.04 -0.23 0.13 0.00 -0.55 0.00 0.00 56.30 55.61 2b3b h ASN 309 Cb 1.06 -0.16 -0.04 0.00 0.05 0.00 0.00 38.32 39.23 2b3b h ASN 309 CO 0.07 0.88 0.45 -0.65 -1.65 0.00 0.00 177.43 176.53 2b3b h PRO 310 N 0.45 0.34 -0.13 0.81 0.11 -1.78 -1.66 132.00 130.14 2b3b h PRO 310 Ca 0.05 -0.02 -0.20 0.00 0.11 0.00 0.00 66.00 65.94 2b3b h PRO 310 Cb 0.84 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.87 2b3b h PRO 310 CO 0.07 0.23 -0.72 -0.07 -0.21 0.00 0.00 178.00 177.30 2b3b h LEU 311 N 0.35 0.72 -0.43 2.35 3.38 -1.66 -3.35 115.31 116.68 2b3b h LEU 311 Ca 0.32 -0.46 -0.18 0.00 0.09 0.00 0.00 57.88 57.65 2b3b h LEU 311 Cb 0.76 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 2b3b h LEU 311 CO -0.09 1.23 -0.76 0.50 0.09 0.00 0.00 178.44 179.41 2b3b h LYS 312 N 0.43 0.26 0.00 1.13 1.63 -1.02 -3.42 116.57 115.58 2b3b h LYS 312 Ca -0.03 -0.23 0.00 0.00 -0.85 0.00 0.00 60.65 59.53 2b3b h LYS 312 Cb 1.32 0.05 0.00 0.00 -0.60 0.00 0.00 32.23 33.00 2b3b h LYS 312 CO 0.14 0.90 0.00 0.41 -3.45 0.00 0.00 179.45 177.45 2b3b n GLY 313 N 0.61 1.94 3.82 5.01 0.00 -0.71 -3.52 105.19 112.33 2b3b n GLY 313 Ca -0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.70 2b3b n GLY 313 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2b3b s SER 314 N -2.01 3.71 0.35 1.61 1.04 -1.25 -4.60 113.70 112.56 2b3b s SER 314 Ca 0.00 0.90 0.08 0.00 0.48 0.00 0.00 55.95 57.40 2b3b s SER 314 Cb 0.00 -1.44 -0.03 0.00 0.10 0.00 0.00 66.02 64.66 2b3b s SER 314 CO 0.00 -2.42 0.30 0.27 0.98 0.00 0.00 173.24 172.37 2b3b s ILE 315 N -3.36 3.32 0.49 -1.02 -4.36 -0.21 -4.47 121.20 111.58 2b3b s ILE 315 Ca 0.64 -1.39 -0.23 0.00 -0.26 0.00 0.00 60.65 59.41 2b3b s ILE 315 Cb -0.14 -3.13 -0.06 0.00 1.25 0.00 0.00 42.46 40.38 2b3b s ILE 315 CO 0.52 -0.14 1.25 0.00 0.24 0.00 0.00 174.94 176.81 2b3b s ALA 316 N -2.35 2.92 0.15 2.27 0.00 -1.26 -0.30 121.76 123.19 2b3b s ALA 316 Ca 0.42 1.11 -0.04 0.00 0.00 0.00 0.00 51.96 53.45 2b3b s ALA 316 Cb -0.05 -3.46 -0.03 0.00 0.00 0.00 0.00 23.12 19.58 2b3b s ALA 316 CO 0.26 -0.96 1.37 0.00 0.00 0.00 0.00 175.76 176.43 2b3b h ALA 317 N 1.82 0.47 -2.59 0.00 0.00 -1.75 -3.39 119.26 113.82 2b3b h ALA 317 Ca -0.50 -0.65 -0.55 0.00 0.00 0.00 0.00 54.91 53.21 2b3b h ALA 317 Cb 1.27 -0.04 0.08 0.00 0.00 0.00 0.00 17.79 19.10 2b3b h ALA 317 CO 0.59 0.78 0.83 0.54 0.00 0.00 0.00 179.25 181.99 2b3b n ARG 318 N -3.80 2.49 0.26 0.00 1.74 -1.26 -4.49 116.66 111.60 2b3b n ARG 318 Ca -0.06 0.89 0.13 0.00 -0.77 0.00 0.00 57.85 58.05 2b3b n ARG 318 Cb 0.77 -2.65 0.68 0.00 -1.02 0.00 0.00 32.46 30.24 2b3b n ARG 318 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 2b3b h LEU 319 N 5.07 0.00 -2.25 0.55 3.38 -1.04 -3.00 115.31 118.02 2b3b h LEU 319 Ca -0.46 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.51 2b3b h LEU 319 Cb 1.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.99 2b3b h LEU 319 CO 0.82 0.13 0.00 -0.90 0.09 0.00 0.00 178.44 178.58 2b3b n ASP 320 N -3.49 3.38 -4.77 -0.43 5.75 -1.26 -4.96 116.55 110.77 2b3b n ASP 320 Ca -0.01 -2.36 -0.40 0.00 -0.01 0.00 0.00 54.79 52.01 2b3b n ASP 320 Cb 0.29 -0.50 0.01 0.00 -1.03 0.00 0.00 41.12 39.89 2b3b n ASP 320 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 2b3b s SER 321 N -0.68 6.01 -0.42 -1.12 0.15 -1.14 -4.95 113.70 111.56 2b3b s SER 321 Ca 0.33 2.99 -0.20 0.00 0.70 0.00 0.00 55.95 59.77 2b3b s SER 321 Cb 0.22 -2.66 0.02 0.00 -1.71 0.00 0.00 66.02 61.89 2b3b s SER 321 CO 0.14 -1.09 0.60 -0.62 1.20 0.00 0.00 173.24 173.47 2b3b s ASP 322 N -0.35 6.32 0.61 5.45 2.15 -1.26 -4.94 116.67 124.64 2b3b s ASP 322 Ca 0.58 -0.28 0.37 0.00 0.43 0.00 0.00 52.55 53.65 2b3b s ASP 322 Cb -0.45 -2.30 1.96 0.00 -0.30 0.00 0.00 42.92 41.83 2b3b s ASP 322 CO 0.59 -0.70 2.23 -0.65 -0.17 0.00 0.00 175.17 176.48 2b3b h PRO 323 N 8.76 0.00 0.00 4.34 0.11 -1.96 -2.42 132.00 140.83 2b3b h PRO 323 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 2b3b h PRO 323 Cb 1.10 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.21 2b3b h PRO 323 CO 0.86 0.03 0.00 0.66 -0.21 0.00 0.00 178.00 179.33 2b3b h SER 324 N 0.00 0.00 0.22 -2.05 4.64 -1.99 -1.53 113.55 112.83 2b3b h SER 324 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2b3b h SER 324 Cb 0.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.24 2b3b h SER 324 CO 0.00 0.00 -0.02 0.29 -0.87 0.00 0.00 176.83 176.23 2b3b n LYS 325 N -2.71 0.85 -4.39 4.77 4.76 -0.91 -4.85 118.16 115.67 2b3b n LYS 325 Ca 0.01 -0.13 -0.30 0.00 -2.87 0.00 0.00 58.31 55.02 2b3b n LYS 325 Cb 0.24 -1.50 -0.11 0.00 -1.84 0.00 0.00 35.03 31.82 2b3b n LYS 325 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 2b3b s TYR 326 N -2.24 2.63 0.59 2.13 2.02 -0.58 -4.74 117.35 117.16 2b3b s TYR 326 Ca 0.38 -0.21 -0.10 0.00 -0.37 0.00 0.00 57.07 56.77 2b3b s TYR 326 Cb 0.21 -1.43 0.14 0.00 -0.40 0.00 0.00 41.96 40.48 2b3b s TYR 326 CO 0.41 0.36 0.74 0.27 -1.57 0.00 0.00 175.55 175.76 2b3b n ASN 327 N 1.04 -0.22 -0.17 2.29 0.23 -1.26 -4.69 115.26 112.48 2b3b n ASN 327 Ca -0.15 -1.21 0.07 0.00 -0.53 0.00 0.00 54.58 52.76 2b3b n ASN 327 Cb 0.52 -0.58 0.37 0.00 -2.08 0.00 0.00 39.78 38.01 2b3b n ASN 327 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2b3b h ALA 328 N -1.97 1.73 0.23 -2.53 0.00 -1.97 -0.42 119.26 114.34 2b3b h ALA 328 Ca -0.25 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 2b3b h ALA 328 Cb 0.69 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.30 2b3b h ALA 328 CO 0.17 0.15 -0.11 -0.92 0.00 0.00 0.00 179.25 178.54 2b3b h TYR 329 N 0.72 -0.29 -0.64 0.00 3.20 -1.93 -2.53 116.97 115.49 2b3b h TYR 329 Ca 0.30 -0.01 0.12 0.00 3.14 0.00 0.00 58.73 62.29 2b3b h TYR 329 Cb 0.28 0.10 -0.09 0.00 1.54 0.00 0.00 36.73 38.56 2b3b h TYR 329 CO -0.00 0.04 0.18 0.78 -1.64 0.00 0.00 178.16 177.52 2b3b h GLY 330 N -0.65 0.88 1.61 1.82 0.00 -1.75 -0.63 103.07 104.35 2b3b h GLY 330 Ca -0.03 -0.07 -0.08 0.00 0.00 0.00 0.00 47.33 47.15 2b3b h GLY 330 CO 0.05 -0.10 -0.20 1.46 0.00 0.00 0.00 176.54 177.75 2b3b h GLN 331 N 0.32 0.46 -0.11 4.80 4.20 -1.14 0.58 115.11 124.22 2b3b h GLN 331 Ca 0.34 -0.15 -0.01 0.00 0.06 0.00 0.00 58.65 58.88 2b3b h GLN 331 Cb 0.50 -0.04 -0.00 0.00 0.30 0.00 0.00 27.48 28.24 2b3b h GLN 331 CO -0.39 0.64 0.02 1.03 -0.67 0.00 0.00 178.83 179.46 2b3b h SER 332 N 0.42 0.17 -0.42 1.46 0.87 -0.83 -2.02 113.55 113.20 2b3b h SER 332 Ca 0.07 -0.24 -0.06 0.00 -1.23 0.00 0.00 61.79 60.32 2b3b h SER 332 Cb 0.59 -0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 62.48 2b3b h SER 332 CO 0.04 0.37 0.04 0.00 -0.53 0.00 0.00 176.83 176.75 2b3b h ALA 333 N 0.81 1.15 -0.42 6.23 0.00 -0.97 -1.73 119.26 124.32 2b3b h ALA 333 Ca 0.03 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.71 2b3b h ALA 333 Cb 0.27 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 2b3b h ALA 333 CO 0.00 0.56 0.28 0.52 0.00 0.00 0.00 179.25 180.61 2b3b h MET 334 N 0.75 0.56 0.26 0.00 2.07 -0.80 0.24 114.93 118.00 2b3b h MET 334 Ca 0.15 -0.03 -0.01 0.00 -2.07 0.00 0.00 59.70 57.74 2b3b h MET 334 Cb 0.39 -0.13 -0.00 0.00 -1.87 0.00 0.00 31.60 29.99 2b3b h MET 334 CO 0.01 0.37 -0.16 0.00 1.07 0.00 0.00 176.91 178.20 2b3b h ARG 335 N 0.57 -0.38 -0.66 1.72 3.08 -0.95 -2.85 114.38 114.91 2b3b h ARG 335 Ca 0.16 0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.23 2b3b h ARG 335 Cb -0.06 0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.04 2b3b h ARG 335 CO -0.04 -0.25 0.40 -0.44 -1.07 0.00 0.00 179.97 178.57 2b3b h ASP 336 N -0.40 0.78 -0.85 7.04 3.32 -1.17 -2.01 116.42 123.14 2b3b h ASP 336 Ca -0.03 -0.04 0.12 0.00 0.02 0.00 0.00 57.03 57.10 2b3b h ASP 336 Cb 0.33 -0.20 -0.08 0.00 0.22 0.00 0.00 39.33 39.60 2b3b h ASP 336 CO 0.03 0.60 0.47 -0.25 -1.72 0.00 0.00 179.24 178.37 2b3b h TRP 337 N 0.91 0.84 0.00 4.55 -0.00 -0.72 -0.46 115.95 121.07 2b3b h TRP 337 Ca 0.24 0.03 -0.08 0.00 -0.00 0.00 0.00 58.89 59.08 2b3b h TRP 337 Cb -0.04 -0.25 -0.01 0.00 -0.00 0.00 0.00 29.16 28.85 2b3b h TRP 337 CO 0.00 0.29 -0.44 0.00 -0.00 0.00 0.00 178.44 178.30 2b3b h ARG 338 N 0.74 0.00 0.00 2.65 2.47 -1.19 -3.38 114.38 115.67 2b3b h ARG 338 Ca 0.43 0.00 -0.17 0.00 -1.26 0.00 0.00 59.98 58.98 2b3b h ARG 338 Cb 0.48 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 28.77 2b3b h ARG 338 CO -0.29 0.33 -1.91 -1.13 0.56 0.00 0.00 179.97 177.53 2b3b n SER 339 N -3.15 1.37 -4.89 7.04 3.41 -0.98 -5.04 113.62 111.37 2b3b n SER 339 Ca 0.02 0.00 -0.29 0.00 -0.26 0.00 0.00 58.87 58.34 2b3b n SER 339 Cb 0.68 1.17 0.01 0.00 -0.26 0.00 0.00 64.21 65.80 2b3b n SER 339 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 2b3b s ASN 340 N -4.46 6.21 0.27 4.04 -0.87 -0.20 -5.04 114.94 114.88 2b3b s ASN 340 Ca -0.07 1.12 -0.30 0.00 -1.57 0.00 0.00 52.86 52.04 2b3b s ASN 340 Cb 0.06 -2.31 -0.11 0.00 -0.02 0.00 0.00 41.25 38.88 2b3b s ASN 340 CO 0.62 -0.73 1.52 -0.60 -2.57 0.00 0.00 177.10 175.35 2b3b s ARG 341 N -4.94 4.19 -0.16 -0.60 6.06 -0.52 -4.84 118.95 118.15 2b3b s ARG 341 Ca 0.51 2.44 -0.04 0.00 -2.50 0.00 0.00 55.73 56.14 2b3b s ARG 341 Cb -0.11 -3.07 -0.03 0.00 0.06 0.00 0.00 34.95 31.81 2b3b s ARG 341 CO 0.49 -0.53 -0.03 0.42 -2.50 0.00 0.00 175.30 173.15 2b3b s ILE 342 N 0.03 3.98 0.30 4.11 -1.09 -1.26 -0.24 121.20 127.03 2b3b s ILE 342 Ca 0.62 -0.33 0.04 0.00 -2.23 0.00 0.00 60.65 58.75 2b3b s ILE 342 Cb -0.45 -2.75 -0.06 0.00 -1.58 0.00 0.00 42.46 37.62 2b3b s ILE 342 CO 0.45 0.49 0.05 0.68 -1.23 0.00 0.00 174.94 175.38 2b3b s VAL 343 N 0.40 1.12 0.20 2.92 -7.23 -0.66 -4.95 120.40 112.19 2b3b s VAL 343 Ca -0.03 -2.01 0.06 0.00 -1.81 0.00 0.00 61.98 58.19 2b3b s VAL 343 Cb -0.14 -2.70 -0.04 0.00 0.56 0.00 0.00 36.38 34.06 2b3b s VAL 343 CO 0.03 -0.06 0.15 -0.83 -0.31 0.00 0.00 175.10 174.08 2b3b s GLY 344 N -3.44 1.60 0.33 2.32 0.00 -1.26 -0.17 107.32 106.70 2b3b s GLY 344 Ca 0.35 -1.30 -0.26 0.00 0.00 0.00 0.00 44.72 43.51 2b3b s GLY 344 CO 0.14 -1.33 0.95 -0.45 0.00 0.00 0.00 173.10 172.41 2b3b s SER 345 N -3.39 7.30 -0.15 1.64 0.15 -0.30 -4.76 113.70 114.20 2b3b s SER 345 Ca 0.32 1.83 -0.27 0.00 0.70 0.00 0.00 55.95 58.52 2b3b s SER 345 Cb -0.09 -2.58 -0.24 0.00 -1.71 0.00 0.00 66.02 61.40 2b3b s SER 345 CO 0.24 -0.10 0.68 0.25 1.20 0.00 0.00 173.24 175.51 2b3b h LEU 346 N 3.07 0.00 -1.50 3.45 5.85 -1.96 -1.41 115.31 122.81 2b3b h LEU 346 Ca -0.47 -0.91 -0.04 0.00 0.84 0.00 0.00 57.88 57.30 2b3b h LEU 346 Cb 1.19 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.21 2b3b h LEU 346 CO 0.65 1.03 -0.21 0.58 -0.34 0.00 0.00 178.44 180.15 2b3b h VAL 347 N -1.00 0.67 -0.34 1.05 2.07 -1.94 -2.74 116.25 114.02 2b3b h VAL 347 Ca -0.04 -0.90 -0.20 0.00 0.82 0.00 0.00 66.70 66.38 2b3b h VAL 347 Cb 0.99 1.57 -0.13 0.00 -1.52 0.00 0.00 31.29 32.20 2b3b h VAL 347 CO -0.02 0.20 -0.23 1.41 0.02 0.00 0.00 177.57 178.95 2b3b n HIS 348 N -3.60 1.12 -0.73 1.57 8.25 -1.26 -4.99 115.22 115.57 2b3b n HIS 348 Ca -0.01 -1.72 0.00 0.00 -0.26 0.00 0.00 57.72 55.73 2b3b n HIS 348 Cb 0.34 -0.46 0.00 0.00 1.12 0.00 0.00 29.99 30.99 2b3b n HIS 348 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2b3b n GLY 349 N -1.07 0.79 0.16 -1.41 0.00 -1.03 -4.64 105.19 97.99 2b3b n GLY 349 Ca 0.33 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.15 2b3b n GLY 349 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2b3b h ALA 350 N 0.00 0.05 0.00 4.61 0.00 -1.38 -1.04 119.26 121.50 2b3b h ALA 350 Ca 0.00 -0.67 0.00 0.00 0.00 0.00 0.00 54.91 54.24 2b3b h ALA 350 Cb 0.00 0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2b3b h ALA 350 CO 0.00 0.54 -1.62 1.33 0.00 0.00 0.00 179.25 179.50 2b3b n VAL 351 N -3.99 0.00 -4.07 0.00 0.24 -0.94 -1.78 118.33 107.79 2b3b n VAL 351 Ca -0.12 -0.33 -0.13 0.00 -2.04 0.00 0.00 64.34 61.72 2b3b n VAL 351 Cb 0.83 0.21 -0.12 0.00 -1.47 0.00 0.00 33.84 33.30 2b3b n VAL 351 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2b3b s ALA 352 N -2.99 0.53 0.81 2.33 0.00 -1.26 -4.84 121.76 116.34 2b3b s ALA 352 Ca -0.05 -0.69 -0.10 0.00 0.00 0.00 0.00 51.96 51.12 2b3b s ALA 352 Cb 0.10 0.03 0.08 0.00 0.00 0.00 0.00 23.12 23.33 2b3b s ALA 352 CO 0.61 -0.01 1.10 -1.25 0.00 0.00 0.00 175.76 176.21 2b3b s PRO 353 N -1.39 1.93 0.53 0.00 0.04 -1.26 -3.79 135.00 131.06 2b3b s PRO 353 Ca -0.09 1.22 0.20 0.00 0.04 0.00 0.00 61.00 62.38 2b3b s PRO 353 Cb -0.09 -1.86 1.35 0.00 0.04 0.00 0.00 34.50 33.94 2b3b s PRO 353 CO 0.00 -1.89 2.09 0.93 0.04 0.00 0.00 177.00 178.18 2b3b h GLU 354 N -1.31 0.00 -0.61 4.56 5.08 -1.85 -0.10 114.58 120.35 2b3b h GLU 354 Ca -0.44 0.00 0.09 0.00 -1.00 0.00 0.00 59.36 58.01 2b3b h GLU 354 Cb 1.24 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.42 2b3b h GLU 354 CO 0.50 0.00 0.25 0.66 -1.00 0.00 0.00 179.01 179.41 2b3b h SER 355 N 0.00 0.27 0.03 1.42 4.64 -1.92 0.19 113.55 118.18 2b3b h SER 355 Ca 0.10 0.07 -0.00 0.00 -0.47 0.00 0.00 61.79 61.49 2b3b h SER 355 Cb 0.39 0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.52 2b3b h SER 355 CO -0.00 0.16 -0.01 0.15 -0.87 0.00 0.00 176.83 176.26 2b3b h PHE 356 N 0.44 -0.04 -0.73 4.77 3.57 -1.65 -3.33 116.94 119.98 2b3b h PHE 356 Ca 0.31 -0.00 0.15 0.00 3.53 0.00 0.00 57.97 61.95 2b3b h PHE 356 Cb 0.36 0.01 -0.10 0.00 2.79 0.00 0.00 35.95 39.01 2b3b h PHE 356 CO -0.15 0.66 0.22 0.52 -2.23 0.00 0.00 178.31 177.33 2b3b h MET 357 N -0.88 0.32 0.00 1.11 2.86 -0.91 -0.95 114.93 116.48 2b3b h MET 357 Ca -0.00 -0.02 -0.04 0.00 -2.06 0.00 0.00 59.70 57.58 2b3b h MET 357 Cb 0.72 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.30 2b3b h MET 357 CO 0.01 0.21 -0.18 0.66 1.06 0.00 0.00 176.91 178.67 2b3b h SER 358 N 0.33 0.00 0.45 1.22 4.64 -0.79 -2.69 113.55 116.71 2b3b h SER 358 Ca 0.41 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.73 2b3b h SER 358 Cb 0.66 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.75 2b3b h SER 358 CO -0.46 0.18 -1.15 0.00 -0.87 0.00 0.00 176.83 174.53 2b3b n GLN 359 N -3.62 0.38 0.19 4.77 6.02 -0.45 -4.12 117.38 120.55 2b3b n GLN 359 Ca -0.01 -0.01 0.05 0.00 -0.01 0.00 0.00 57.00 57.02 2b3b n GLN 359 Cb 0.31 -1.62 0.51 0.00 1.02 0.00 0.00 30.24 30.47 2b3b n GLN 359 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 177.06 176.40 2b3b h PHE 360 N 0.00 0.10 -0.56 1.08 3.57 -0.97 -1.36 116.94 118.80 2b3b h PHE 360 Ca 0.00 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.51 2b3b h PHE 360 Cb 0.80 -0.03 -0.03 0.00 2.79 0.00 0.00 35.95 39.48 2b3b h PHE 360 CO 0.00 0.18 0.37 0.78 -2.23 0.00 0.00 178.31 177.42 2b3b h GLY 361 N 0.43 0.77 0.96 2.40 0.00 -1.72 0.30 103.07 106.21 2b3b h GLY 361 Ca 0.02 -0.28 -0.10 0.00 0.00 0.00 0.00 47.33 46.98 2b3b h GLY 361 CO 0.01 0.26 -0.17 -0.84 0.00 0.00 0.00 176.54 175.80 2b3b h THR 362 N 0.72 1.29 -0.33 4.70 2.02 -1.50 0.86 112.91 120.67 2b3b h THR 362 Ca 0.22 -1.29 0.06 0.00 0.77 0.00 0.00 66.41 66.17 2b3b h THR 362 Cb -0.01 1.40 -0.05 0.00 -1.74 0.00 0.00 68.15 67.75 2b3b h THR 362 CO -0.05 0.42 -0.00 0.58 0.37 0.00 0.00 175.52 176.83 2b3b h VAL 363 N 0.49 0.76 -0.48 3.16 2.07 -1.09 -1.65 116.25 119.50 2b3b h VAL 363 Ca 0.07 -0.03 -0.02 0.00 0.82 0.00 0.00 66.70 67.54 2b3b h VAL 363 Cb 0.71 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 31.11 2b3b h VAL 363 CO 0.05 0.02 0.21 -0.03 0.02 0.00 0.00 177.57 177.84 2b3b h MET 364 N 0.09 0.71 -0.82 1.57 4.05 -0.70 -1.31 114.93 118.52 2b3b h MET 364 Ca 0.16 -0.12 0.16 0.00 -0.28 0.00 0.00 59.70 59.62 2b3b h MET 364 Cb 0.22 -0.12 -0.10 0.00 -0.80 0.00 0.00 31.60 30.79 2b3b h MET 364 CO -0.27 0.62 0.36 0.93 0.23 0.00 0.00 176.91 178.79 2b3b h GLU 365 N 0.63 0.47 -0.02 0.39 5.08 -0.51 -0.84 114.58 119.79 2b3b h GLU 365 Ca 0.16 -0.03 -0.18 0.00 -1.00 0.00 0.00 59.36 58.32 2b3b h GLU 365 Cb 0.16 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 2b3b h GLU 365 CO -0.02 0.31 -0.78 -0.84 -1.00 0.00 0.00 179.01 176.69 2b3b h ILE 366 N 0.49 1.47 -0.78 3.13 -0.00 -0.93 -2.32 117.51 118.57 2b3b h ILE 366 Ca 0.47 -2.42 -0.04 0.00 -0.00 0.00 0.00 64.86 62.86 2b3b h ILE 366 Cb 0.74 2.32 -0.03 0.00 -0.00 0.00 0.00 36.82 39.84 2b3b h ILE 366 CO -0.42 0.71 0.31 0.15 -0.00 0.00 0.00 178.15 178.89 2b3b h PHE 367 N 0.12 1.19 -0.66 0.16 3.57 -0.56 0.11 116.94 120.87 2b3b h PHE 367 Ca -0.03 -0.09 -0.02 0.00 3.53 0.00 0.00 57.97 61.36 2b3b h PHE 367 Cb 1.37 -0.36 -0.03 0.00 2.79 0.00 0.00 35.95 39.72 2b3b h PHE 367 CO 0.02 0.90 0.34 -0.07 -2.23 0.00 0.00 178.31 177.27 2b3b h LEU 368 N 1.13 0.82 0.12 0.59 -0.00 -0.91 0.69 115.31 117.75 2b3b h LEU 368 Ca 0.26 -0.07 -0.22 0.00 -0.00 0.00 0.00 57.88 57.85 2b3b h LEU 368 Cb 0.21 -0.21 0.01 0.00 -0.00 0.00 0.00 40.66 40.67 2b3b h LEU 368 CO -0.02 0.68 -1.05 1.56 -0.00 0.00 0.00 178.44 179.61 2b3b h GLN 369 N 0.92 0.25 0.08 1.13 1.08 -1.20 -3.38 115.11 114.00 2b3b h GLN 369 Ca 0.23 -0.43 -0.27 0.00 -1.45 0.00 0.00 58.65 56.73 2b3b h GLN 369 Cb 0.06 0.16 -0.01 0.00 -0.05 0.00 0.00 27.48 27.64 2b3b h GLN 369 CO -0.03 1.21 -1.30 1.79 -0.95 0.00 0.00 178.83 179.55 2b3b h THR 370 N -0.39 1.41 -3.81 -0.54 1.35 -0.76 -3.48 112.91 106.70 2b3b h THR 370 Ca -0.21 -3.06 -0.24 0.00 -0.55 0.00 0.00 66.41 62.35 2b3b h THR 370 Cb 1.65 2.83 -0.01 0.00 -1.73 0.00 0.00 68.15 70.89 2b3b h THR 370 CO 0.09 0.86 -0.31 0.54 -0.25 0.00 0.00 175.52 176.46 2b3b n ARG 371 N -3.43 -2.22 -3.53 4.72 5.12 0.24 -4.96 116.66 112.60 2b3b n ARG 371 Ca -0.09 0.59 -0.42 0.00 -1.93 0.00 0.00 57.85 56.00 2b3b n ARG 371 Cb 1.01 -5.18 -0.10 0.00 -1.16 0.00 0.00 32.46 27.03 2b3b n ARG 371 CO 0.00 0.00 0.00 1.21 -1.93 0.00 0.00 177.63 176.91 2b3b s ASN 372 N -2.03 5.86 0.36 0.55 3.84 -1.26 -4.98 114.94 117.28 2b3b s ASN 372 Ca 0.00 -1.17 0.08 0.00 0.21 0.00 0.00 52.86 51.98 2b3b s ASN 372 Cb 0.00 -2.07 0.79 0.00 -0.55 0.00 0.00 41.25 39.42 2b3b s ASN 372 CO 0.00 -0.49 1.91 -0.65 -2.79 0.00 0.00 177.10 175.09 2b3b h PRO 373 N 8.53 0.69 -0.22 0.43 0.11 -1.91 -2.67 132.00 136.96 2b3b h PRO 373 Ca -0.26 -0.04 -0.19 0.00 0.11 0.00 0.00 66.00 65.62 2b3b h PRO 373 Cb 1.10 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.06 2b3b h PRO 373 CO 0.74 0.46 -0.62 0.37 -0.21 0.00 0.00 178.00 178.74 2b3b h GLN 374 N 0.71 0.80 -0.77 1.05 5.75 -1.93 -1.06 115.11 119.67 2b3b h GLN 374 Ca 0.38 -0.57 0.02 0.00 -0.15 0.00 0.00 58.65 58.33 2b3b h GLN 374 Cb 0.52 0.09 -0.04 0.00 1.07 0.00 0.00 27.48 29.12 2b3b h GLN 374 CO -0.15 1.19 0.49 0.00 -2.65 0.00 0.00 178.83 177.72 2b3b h ALA 375 N 0.61 0.99 -0.20 3.38 0.00 -1.95 0.82 119.26 122.91 2b3b h ALA 375 Ca -0.02 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 2b3b h ALA 375 Cb 1.24 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.75 2b3b h ALA 375 CO 0.13 0.32 -0.13 0.00 0.00 0.00 0.00 179.25 179.58 2b3b h ALA 376 N 1.31 0.29 -0.35 0.00 0.00 -1.28 -0.37 119.26 118.86 2b3b h ALA 376 Ca 0.30 -0.31 0.05 0.00 0.00 0.00 0.00 54.91 54.95 2b3b h ALA 376 Cb -0.03 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.65 2b3b h ALA 376 CO -0.10 0.15 0.08 0.00 0.00 0.00 0.00 179.25 179.39 2b3b h ALA 377 N 0.68 0.38 -0.86 0.00 0.00 -1.06 -0.56 119.26 117.85 2b3b h ALA 377 Ca 0.04 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 2b3b h ALA 377 Cb 0.63 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.46 2b3b h ALA 377 CO 0.04 -0.32 0.49 -0.91 0.00 0.00 0.00 179.25 178.54 2b3b h ASN 378 N 0.20 1.06 -0.64 0.00 2.35 -0.67 -1.68 115.58 116.19 2b3b h ASN 378 Ca 0.17 -0.09 -0.05 0.00 -0.55 0.00 0.00 56.30 55.78 2b3b h ASN 378 Cb 0.18 -0.27 -0.03 0.00 0.05 0.00 0.00 38.32 38.26 2b3b h ASN 378 CO -0.21 0.84 0.22 0.00 -1.65 0.00 0.00 177.43 176.63 2b3b h ALA 379 N 1.26 0.84 -0.59 -0.83 0.00 -0.59 -1.05 119.26 118.30 2b3b h ALA 379 Ca 0.30 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.94 2b3b h ALA 379 Cb 0.00 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 2b3b h ALA 379 CO -0.05 0.49 0.06 0.00 0.00 0.00 0.00 179.25 179.74 2b3b h ALA 380 N 1.09 0.79 -0.60 0.00 0.00 -0.86 -2.16 119.26 117.52 2b3b h ALA 380 Ca 0.21 -0.28 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 2b3b h ALA 380 Cb 0.26 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 2b3b h ALA 380 CO -0.01 0.57 0.09 0.37 0.00 0.00 0.00 179.25 180.27 2b3b h GLN 381 N 0.90 0.99 -0.73 0.00 5.75 -1.08 -1.15 115.11 119.79 2b3b h GLN 381 Ca 0.18 -0.25 -0.05 0.00 -0.15 0.00 0.00 58.65 58.37 2b3b h GLN 381 Cb 0.47 -0.12 -0.03 0.00 1.07 0.00 0.00 27.48 28.87 2b3b h GLN 381 CO 0.02 0.92 0.24 0.00 -2.65 0.00 0.00 178.83 177.36 2b3b h ALA 382 N 1.16 1.05 -0.24 3.38 0.00 -0.92 -0.52 119.26 123.18 2b3b h ALA 382 Ca 0.19 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 2b3b h ALA 382 Cb 0.42 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 2b3b h ALA 382 CO 0.01 0.65 -0.01 0.82 0.00 0.00 0.00 179.25 180.72 2b3b h ILE 383 N 1.08 1.26 -0.55 0.00 1.08 -1.11 0.06 117.51 119.33 2b3b h ILE 383 Ca 0.24 -0.92 0.02 0.00 -0.39 0.00 0.00 64.86 63.81 2b3b h ILE 383 Cb 0.28 1.39 -0.03 0.00 -3.07 0.00 0.00 36.82 35.39 2b3b h ILE 383 CO -0.01 0.29 0.35 0.00 -0.69 0.00 0.00 178.15 178.08 2b3b h ALA 384 N 0.80 0.70 -0.59 1.87 0.00 -0.95 -0.52 119.26 120.56 2b3b h ALA 384 Ca 0.07 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.98 2b3b h ALA 384 Cb 0.42 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 2b3b h ALA 384 CO 0.01 0.09 0.37 -0.44 0.00 0.00 0.00 179.25 179.28 2b3b h ASP 385 N 0.70 0.60 -0.10 0.00 3.32 -0.97 0.98 116.42 120.95 2b3b h ASP 385 Ca 0.21 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 57.15 2b3b h ASP 385 Cb -0.03 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.38 2b3b h ASP 385 CO -0.07 0.42 -0.31 1.56 -1.72 0.00 0.00 179.24 179.12 2b3b h GLN 386 N 0.72 0.58 -0.00 3.56 4.20 -0.24 -2.91 115.11 121.01 2b3b h GLN 386 Ca 0.24 -0.25 0.00 0.00 0.06 0.00 0.00 58.65 58.70 2b3b h GLN 386 Cb 0.01 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 27.77 2b3b h GLN 386 CO -0.10 0.82 -0.44 1.33 -0.67 0.00 0.00 178.83 179.78 2b3b n VAL 387 N -4.08 0.00 -3.03 -0.54 0.24 -0.27 -4.96 118.33 105.69 2b3b n VAL 387 Ca -0.01 -0.03 -0.12 0.00 -2.04 0.00 0.00 64.34 62.14 2b3b n VAL 387 Cb 0.46 0.27 0.05 0.00 -1.47 0.00 0.00 33.84 33.14 2b3b n VAL 387 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2b3b n GLY 388 N 1.46 0.10 3.72 7.63 0.00 -0.03 -4.89 105.19 113.17 2b3b n GLY 388 Ca 0.07 -0.16 -0.59 0.00 0.00 0.00 0.00 46.02 45.34 2b3b n GLY 388 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2b3b n LEU 389 N -2.92 2.28 0.00 0.99 7.94 0.14 -1.11 117.00 124.31 2b3b n LEU 389 Ca -0.04 1.09 0.00 0.00 -1.11 0.00 0.00 56.01 55.95 2b3b n LEU 389 Cb 0.55 -1.11 0.00 0.00 0.53 0.00 0.00 43.42 43.38 2b3b n LEU 389 CO 0.35 -0.46 0.00 0.61 -1.11 0.00 0.00 177.39 176.78 2b3b n GLY 390 N 4.20 2.15 0.26 -3.96 0.00 -1.26 -4.65 105.19 101.93 2b3b n GLY 390 Ca 0.27 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.24 2b3b n GLY 390 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2b3b h ARG 391 N 1.56 0.67 -0.01 1.61 0.11 -1.47 -3.50 114.38 113.36 2b3b h ARG 391 Ca 0.00 -0.24 0.00 0.00 0.10 0.00 0.00 59.98 59.84 2b3b h ARG 391 Cb 0.00 -0.05 0.00 0.00 1.11 0.00 0.00 29.97 31.03 2b3b h ARG 391 CO 0.00 0.81 0.00 1.28 0.10 0.00 0.00 179.97 182.16