#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x2a n PHE 6 N 0.00 0.00 0.08 1.12 3.72 -1.26 -3.12 117.46 118.00 1x2a n PHE 6 Ca 0.00 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.28 1x2a n PHE 6 Cb 0.00 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 38.50 1x2a n PHE 6 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1x2a h GLU 7 N 0.00 0.29 0.00 -1.08 3.07 -2.11 -3.14 114.58 111.62 1x2a h GLU 7 Ca 0.00 -0.34 0.00 0.00 -0.50 0.00 0.00 59.36 58.52 1x2a h GLU 7 Cb 0.00 0.10 0.00 0.00 -0.84 0.00 0.00 28.75 28.01 1x2a h GLU 7 CO 0.00 1.05 0.00 0.09 -1.40 0.00 0.00 179.01 178.75 1x2a n ASN 8 N -3.68 0.00 -4.73 1.42 4.13 -1.18 -4.80 115.26 106.43 1x2a n ASN 8 Ca -0.05 -0.99 -0.41 0.00 1.68 0.00 0.00 54.58 54.80 1x2a n ASN 8 Cb 0.85 0.00 -0.04 0.00 -1.54 0.00 0.00 39.78 39.05 1x2a n ASN 8 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1x2a s ILE 9 N -2.00 4.70 -0.13 2.41 1.01 -1.19 -5.03 121.20 120.98 1x2a s ILE 9 Ca 0.38 1.92 -0.15 0.00 0.00 0.00 0.00 60.65 62.81 1x2a s ILE 9 Cb 0.18 -4.25 -0.05 0.00 0.01 0.00 0.00 42.46 38.34 1x2a s ILE 9 CO 0.29 0.28 0.36 0.28 0.00 0.00 0.00 174.94 176.15 1x2a s THR 10 N 0.35 5.24 0.60 2.92 -1.32 -1.26 -5.05 115.64 117.12 1x2a s THR 10 Ca 0.46 0.69 -0.18 0.00 -1.21 0.00 0.00 61.69 61.45 1x2a s THR 10 Cb -0.22 -3.69 -0.06 0.00 -1.51 0.00 0.00 72.50 67.03 1x2a s THR 10 CO 0.27 0.40 0.81 0.00 -2.21 0.00 0.00 174.62 173.89 1x2a n ALA 11 N 3.32 -0.31 -2.78 11.08 0.00 -1.26 -4.99 120.51 125.56 1x2a n ALA 11 Ca -0.11 -0.02 -0.36 0.00 0.00 0.00 0.00 53.44 52.95 1x2a n ALA 11 Cb 0.52 -2.01 -0.08 0.00 0.00 0.00 0.00 19.45 17.88 1x2a n ALA 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1x2a s ALA 12 N -1.60 3.59 1.03 0.00 0.00 -1.26 -5.10 121.76 118.42 1x2a s ALA 12 Ca 0.74 -0.73 -0.12 0.00 0.00 0.00 0.00 51.96 51.85 1x2a s ALA 12 Cb -0.42 -1.73 0.21 0.00 0.00 0.00 0.00 23.12 21.18 1x2a s ALA 12 CO 0.49 0.61 1.07 -1.25 0.00 0.00 0.00 175.76 176.68 1x2a s PRO 13 N -0.98 0.16 0.56 0.00 0.04 -1.26 -4.99 135.00 128.54 1x2a s PRO 13 Ca 0.14 0.71 -0.17 0.00 0.04 0.00 0.00 61.00 61.73 1x2a s PRO 13 Cb -0.12 -1.69 -0.05 0.00 0.04 0.00 0.00 34.50 32.68 1x2a s PRO 13 CO 0.03 -2.96 1.05 0.00 0.04 0.00 0.00 177.00 175.16 1x2a s ALA 14 N -2.79 2.81 0.14 8.56 0.00 -1.26 -4.97 121.76 124.24 1x2a s ALA 14 Ca 0.66 0.42 -0.31 0.00 0.00 0.00 0.00 51.96 52.73 1x2a s ALA 14 Cb -0.21 -3.22 -0.08 0.00 0.00 0.00 0.00 23.12 19.61 1x2a s ALA 14 CO 0.60 -0.64 1.38 0.34 0.00 0.00 0.00 175.76 177.43 1x2a s ASP 15 N -2.65 6.83 0.00 0.00 2.15 -1.26 -4.86 116.67 116.88 1x2a s ASP 15 Ca 0.64 2.36 0.00 0.00 0.43 0.00 0.00 52.55 55.97 1x2a s ASP 15 Cb -0.15 -2.59 0.00 0.00 -0.30 0.00 0.00 42.92 39.87 1x2a s ASP 15 CO 0.33 -0.63 0.97 -0.81 -0.17 0.00 0.00 175.17 174.86 1x2a n PRO 16 N 3.61 0.00 0.01 4.34 -0.04 -1.26 -0.50 135.00 141.16 1x2a n PRO 16 Ca 0.10 0.47 0.00 0.00 -0.04 0.00 0.00 63.50 64.03 1x2a n PRO 16 Cb 0.42 -1.51 0.00 0.00 -0.04 0.00 0.00 33.50 32.38 1x2a n PRO 16 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 1x2a n ILE 17 N -1.47 0.35 0.14 0.52 5.41 -1.26 -4.62 119.36 118.42 1x2a n ILE 17 Ca 0.00 0.11 -0.01 0.00 1.00 0.00 0.00 62.75 63.86 1x2a n ILE 17 Cb 0.01 -1.52 0.16 0.00 -0.71 0.00 0.00 39.64 37.59 1x2a n ILE 17 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 1x2a h LEU 18 N 0.00 0.00 -0.94 1.39 3.38 -1.96 -2.81 115.31 114.36 1x2a h LEU 18 Ca 0.00 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.03 1x2a h LEU 18 Cb 0.71 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.40 1x2a h LEU 18 CO 0.00 0.61 0.60 1.23 0.09 0.00 0.00 178.44 180.98 1x2a h GLY 19 N 2.05 1.42 -0.47 0.83 0.00 -1.09 -2.65 103.07 103.16 1x2a h GLY 19 Ca -0.01 -0.44 0.12 0.00 0.00 0.00 0.00 47.33 47.00 1x2a h GLY 19 CO 0.08 0.32 -0.30 -2.00 0.00 0.00 0.00 176.54 174.64 1x2a h LEU 20 N 1.11 -1.05 -2.10 3.11 5.85 -1.63 0.13 115.31 120.73 1x2a h LEU 20 Ca 0.40 0.23 0.08 0.00 0.84 0.00 0.00 57.88 59.44 1x2a h LEU 20 Cb 0.14 0.55 -0.01 0.00 0.37 0.00 0.00 40.66 41.72 1x2a h LEU 20 CO -0.17 -0.29 0.32 0.00 -0.34 0.00 0.00 178.44 177.97 1x2a h ALA 21 N 1.22 1.94 0.00 1.25 0.00 -1.59 -0.57 119.26 121.52 1x2a h ALA 21 Ca 0.27 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.13 1x2a h ALA 21 Cb 0.55 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1x2a h ALA 21 CO -0.72 -0.47 -0.19 -0.44 0.00 0.00 0.00 179.25 177.43 1x2a h ASP 22 N 0.00 0.16 -0.33 0.00 3.45 -0.82 -2.76 116.42 116.12 1x2a h ASP 22 Ca 0.14 -0.80 -0.01 0.00 0.43 0.00 0.00 57.03 56.79 1x2a h ASP 22 Cb 0.78 -0.05 -0.02 0.00 -0.56 0.00 0.00 39.33 39.48 1x2a h ASP 22 CO -0.00 0.94 0.18 -0.07 -1.57 0.00 0.00 179.24 178.72 1x2a h LEU 23 N -0.60 0.42 -0.19 1.55 3.38 -1.12 -2.53 115.31 116.22 1x2a h LEU 23 Ca -0.02 -0.09 0.05 0.00 0.09 0.00 0.00 57.88 57.91 1x2a h LEU 23 Cb 0.97 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 41.56 1x2a h LEU 23 CO 0.04 0.38 -0.13 0.15 0.09 0.00 0.00 178.44 178.97 1x2a h PHE 24 N 0.42 -0.33 0.00 1.13 3.57 -1.23 0.74 116.94 121.24 1x2a h PHE 24 Ca 0.12 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.64 1x2a h PHE 24 Cb 0.06 0.17 0.00 0.00 2.79 0.00 0.00 35.95 38.97 1x2a h PHE 24 CO -0.03 -0.20 0.00 0.54 -2.23 0.00 0.00 178.31 176.39 1x2a n ARG 25 N -5.29 0.03 -0.10 1.11 5.12 -1.04 -3.55 116.66 112.94 1x2a n ARG 25 Ca -0.02 0.30 -0.19 0.00 -1.93 0.00 0.00 57.85 56.01 1x2a n ARG 25 Cb 0.20 -1.50 -0.08 0.00 -1.16 0.00 0.00 32.46 29.93 1x2a n ARG 25 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1x2a n ALA 26 N -1.45 0.83 -1.78 7.54 0.00 0.18 -4.93 120.51 120.89 1x2a n ALA 26 Ca 0.03 -0.68 -0.41 0.00 0.00 0.00 0.00 53.44 52.38 1x2a n ALA 26 Cb 0.11 -0.18 -0.01 0.00 0.00 0.00 0.00 19.45 19.36 1x2a n ALA 26 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 1x2a s ASP 27 N -6.66 6.43 0.00 0.00 -4.77 -0.74 -4.91 116.67 106.02 1x2a s ASP 27 Ca -0.28 2.92 0.22 0.00 -3.30 0.00 0.00 52.55 52.11 1x2a s ASP 27 Cb 0.07 -2.64 0.51 0.00 -1.09 0.00 0.00 42.92 39.77 1x2a s ASP 27 CO 0.46 -0.85 1.45 -0.62 0.70 0.00 0.00 175.17 176.32 1x2a n GLU 28 N 1.59 2.48 -2.37 2.11 -0.58 -1.26 -4.96 120.64 117.65 1x2a n GLU 28 Ca 0.05 -2.25 -0.42 0.00 -0.42 0.00 0.00 57.16 54.12 1x2a n GLU 28 Cb 0.39 -1.51 -0.03 0.00 -0.57 0.00 0.00 31.44 29.71 1x2a n GLU 28 CO 0.00 0.00 0.00 -0.98 -0.48 0.00 0.00 177.13 175.67 1x2a s ARG 29 N -1.39 4.44 0.44 3.49 3.03 -1.26 -4.99 118.95 122.71 1x2a s ARG 29 Ca 0.41 1.85 -0.24 0.00 2.03 0.00 0.00 55.73 59.78 1x2a s ARG 29 Cb 0.23 -3.29 -0.08 0.00 -1.03 0.00 0.00 34.95 30.78 1x2a s ARG 29 CO 0.31 -0.22 1.23 -1.25 -1.13 0.00 0.00 175.30 174.24 1x2a s PRO 30 N 0.59 3.80 0.00 3.89 0.04 -1.26 -3.56 135.00 138.50 1x2a s PRO 30 Ca 0.57 1.97 0.00 0.00 0.04 0.00 0.00 61.00 63.58 1x2a s PRO 30 Cb -0.32 -2.55 0.00 0.00 0.04 0.00 0.00 34.50 31.67 1x2a s PRO 30 CO 0.32 -0.57 0.00 0.41 0.04 0.00 0.00 177.00 177.20 1x2a n GLY 31 N 0.59 0.80 3.57 0.56 0.00 -1.26 -5.04 105.19 104.41 1x2a n GLY 31 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 1x2a n GLY 31 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1x2a n LYS 32 N -2.00 1.15 -4.69 1.61 2.85 -1.23 -4.97 118.16 110.87 1x2a n LYS 32 Ca 0.00 0.41 -0.29 0.00 -1.05 0.00 0.00 58.31 57.39 1x2a n LYS 32 Cb 0.00 -1.85 -0.17 0.00 -0.65 0.00 0.00 35.03 32.36 1x2a n LYS 32 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 177.40 177.77 1x2a s ILE 33 N -1.25 1.58 -0.35 0.58 1.01 0.26 -5.01 121.20 118.02 1x2a s ILE 33 Ca 0.62 -0.72 -0.15 0.00 0.00 0.00 0.00 60.65 60.41 1x2a s ILE 33 Cb -0.61 -1.41 -0.01 0.00 0.01 0.00 0.00 42.46 40.43 1x2a s ILE 33 CO 0.58 0.46 0.33 0.21 0.00 0.00 0.00 174.94 176.51 1x2a s ASN 34 N 0.73 6.15 -0.14 3.58 3.04 -1.26 0.25 114.94 127.28 1x2a s ASN 34 Ca -0.12 -0.31 0.15 0.00 0.04 0.00 0.00 52.86 52.62 1x2a s ASN 34 Cb -0.16 -2.18 0.38 0.00 -1.54 0.00 0.00 41.25 37.75 1x2a s ASN 34 CO 0.02 -0.32 1.19 0.18 -3.04 0.00 0.00 177.10 175.13 1x2a n LEU 35 N 5.31 2.14 0.00 3.21 4.32 0.20 -4.86 117.00 127.32 1x2a n LEU 35 Ca -0.10 -3.22 0.00 0.00 -0.02 0.00 0.00 56.01 52.67 1x2a n LEU 35 Cb 0.49 -0.37 0.00 0.00 -1.62 0.00 0.00 43.42 41.92 1x2a n LEU 35 CO 0.39 1.05 0.00 0.61 -1.22 0.00 0.00 177.39 178.23 1x2a n GLY 36 N -0.74 1.26 3.53 -0.72 0.00 -1.15 -1.56 105.19 105.82 1x2a n GLY 36 Ca 0.15 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.73 1x2a n GLY 36 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1x2a n ILE 37 N 0.00 2.01 -1.78 -0.61 5.41 -1.26 -4.53 119.36 118.59 1x2a n ILE 37 Ca 0.00 -0.50 -0.42 0.00 1.00 0.00 0.00 62.75 62.83 1x2a n ILE 37 Cb 0.00 -0.77 -0.00 0.00 -0.71 0.00 0.00 39.64 38.15 1x2a n ILE 37 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1x2a n GLY 38 N 1.46 4.05 3.37 7.39 0.00 -1.26 -4.92 105.19 115.28 1x2a n GLY 38 Ca 0.11 -1.54 -0.29 0.00 0.00 0.00 0.00 46.02 44.29 1x2a n GLY 38 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1x2a s VAL 39 N 3.52 2.20 0.40 1.61 1.01 -1.26 -5.01 120.40 122.86 1x2a s VAL 39 Ca 0.49 -1.61 -0.20 0.00 0.00 0.00 0.00 61.98 60.65 1x2a s VAL 39 Cb 0.13 -1.92 -0.10 0.00 0.00 0.00 0.00 36.38 34.48 1x2a s VAL 39 CO -0.05 0.19 0.91 -0.47 0.00 0.00 0.00 175.10 175.67 1x2a s TYR 40 N -0.96 3.37 0.02 5.22 5.04 -1.26 -4.52 117.35 124.25 1x2a s TYR 40 Ca 0.13 1.55 0.01 0.00 -2.44 0.00 0.00 57.07 56.32 1x2a s TYR 40 Cb -0.10 -2.80 -0.01 0.00 0.35 0.00 0.00 41.96 39.40 1x2a s TYR 40 CO 0.04 -0.03 -0.05 0.15 -1.34 0.00 0.00 175.55 174.33 1x2a s LYS 41 N -3.00 0.36 0.50 4.97 1.02 -1.10 -4.26 119.74 118.23 1x2a s LYS 41 Ca 0.59 -0.46 -0.04 0.00 0.02 0.00 0.00 55.97 56.08 1x2a s LYS 41 Cb -0.10 -0.17 0.11 0.00 -0.52 0.00 0.00 37.83 37.15 1x2a s LYS 41 CO 0.15 0.03 0.69 -0.40 -0.92 0.00 0.00 175.35 174.90 1x2a n ASP 42 N 2.12 0.52 0.17 2.83 5.68 -0.10 -4.84 116.55 122.94 1x2a n ASP 42 Ca -0.19 -1.54 0.11 0.00 -0.50 0.00 0.00 54.79 52.68 1x2a n ASP 42 Cb 0.56 -0.48 0.60 0.00 -1.14 0.00 0.00 41.12 40.66 1x2a n ASP 42 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1x2a n GLU 43 N -2.36 0.14 0.00 0.11 -0.58 -1.26 -0.85 120.64 115.84 1x2a n GLU 43 Ca 0.10 0.64 0.12 0.00 -0.42 0.00 0.00 57.16 57.61 1x2a n GLU 43 Cb 0.36 -1.97 0.28 0.00 -0.57 0.00 0.00 31.44 29.54 1x2a n GLU 43 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 1x2a n THR 44 N -2.28 0.00 -0.72 2.62 -2.24 -1.26 -4.61 114.28 105.79 1x2a n THR 44 Ca -0.01 -0.12 0.00 0.00 -2.27 0.00 0.00 64.05 61.64 1x2a n THR 44 Cb 0.04 0.53 0.00 0.00 -2.10 0.00 0.00 70.33 68.79 1x2a n THR 44 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1x2a n GLY 45 N 1.38 0.57 3.46 3.38 0.00 -0.03 -5.07 105.19 108.89 1x2a n GLY 45 Ca 0.10 -0.77 -0.28 0.00 0.00 0.00 0.00 46.02 45.08 1x2a n GLY 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x2a s LYS 46 N -1.45 1.66 -0.92 1.61 -0.14 -1.26 -4.85 119.74 114.39 1x2a s LYS 46 Ca 0.00 -1.36 -0.09 0.00 -1.36 0.00 0.00 55.97 53.16 1x2a s LYS 46 Cb 0.00 -1.98 0.24 0.00 -1.68 0.00 0.00 37.83 34.41 1x2a s LYS 46 CO 0.00 0.43 0.86 0.99 -0.76 0.00 0.00 175.35 176.88 1x2a s THR 47 N -1.44 5.37 0.68 2.17 2.01 -1.26 -0.92 115.64 122.25 1x2a s THR 47 Ca 0.20 -3.10 -0.11 0.00 0.31 0.00 0.00 61.69 58.99 1x2a s THR 47 Cb -0.09 -4.29 -0.00 0.00 0.01 0.00 0.00 72.50 68.13 1x2a s THR 47 CO 0.10 -1.08 1.07 -2.16 -0.69 0.00 0.00 174.62 171.86 1x2a s PRO 48 N -0.63 3.08 0.06 4.92 0.04 -1.26 -5.04 135.00 136.17 1x2a s PRO 48 Ca 0.24 0.61 -0.23 0.00 0.04 0.00 0.00 61.00 61.67 1x2a s PRO 48 Cb -0.11 -2.03 -0.06 0.00 0.04 0.00 0.00 34.50 32.34 1x2a s PRO 48 CO -0.09 -0.91 0.69 0.54 0.04 0.00 0.00 177.00 177.27 1x2a s VAL 49 N -3.26 4.71 0.79 -0.36 0.11 -1.26 -4.99 120.40 116.14 1x2a s VAL 49 Ca 0.57 1.48 -0.14 0.00 -2.93 0.00 0.00 61.98 60.96 1x2a s VAL 49 Cb -0.11 -4.04 0.05 0.00 -1.53 0.00 0.00 36.38 30.74 1x2a s VAL 49 CO 0.53 0.44 1.03 0.18 -3.33 0.00 0.00 175.10 173.95 1x2a n LEU 50 N 2.41 3.60 -0.10 2.54 4.77 -1.26 -4.83 117.00 124.12 1x2a n LEU 50 Ca -0.05 0.59 -0.12 0.00 -0.03 0.00 0.00 56.01 56.40 1x2a n LEU 50 Cb 0.50 -1.44 -0.04 0.00 -2.33 0.00 0.00 43.42 40.12 1x2a n LEU 50 CO 0.45 -2.02 0.69 0.74 -1.33 0.00 0.00 177.39 175.92 1x2a h THR 51 N -0.71 1.29 -0.54 -5.08 2.02 -1.98 -1.88 112.91 106.03 1x2a h THR 51 Ca -0.46 -1.18 0.06 0.00 0.77 0.00 0.00 66.41 65.60 1x2a h THR 51 Cb 1.31 1.42 -0.03 0.00 -1.74 0.00 0.00 68.15 69.11 1x2a h THR 51 CO 0.45 0.38 0.36 0.77 0.37 0.00 0.00 175.52 177.85 1x2a h SER 52 N 0.37 0.44 -0.16 4.18 4.64 -1.91 -0.04 113.55 121.06 1x2a h SER 52 Ca 0.07 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.31 1x2a h SER 52 Cb 0.61 -0.10 -0.00 0.00 -0.31 0.00 0.00 62.40 62.61 1x2a h SER 52 CO 0.04 0.29 -0.21 0.58 -0.87 0.00 0.00 176.83 176.66 1x2a h VAL 53 N 0.51 1.35 -0.87 0.95 2.07 -1.86 -1.03 116.25 117.37 1x2a h VAL 53 Ca 0.23 -1.41 -0.01 0.00 0.82 0.00 0.00 66.70 66.33 1x2a h VAL 53 Cb 0.27 1.88 -0.04 0.00 -1.52 0.00 0.00 31.29 31.89 1x2a h VAL 53 CO -0.06 0.42 0.49 0.11 0.02 0.00 0.00 177.57 178.54 1x2a h LYS 54 N 0.06 1.20 0.27 1.57 1.79 -0.66 0.09 116.57 120.90 1x2a h LYS 54 Ca 0.02 -0.13 -0.01 0.00 -2.18 0.00 0.00 60.65 58.35 1x2a h LYS 54 Cb 0.77 -0.24 0.00 0.00 -1.58 0.00 0.00 32.23 31.18 1x2a h LYS 54 CO 0.05 0.87 -0.13 0.87 -1.08 0.00 0.00 179.45 180.02 1x2a h LYS 55 N 1.21 -0.35 -0.58 3.15 1.57 -0.91 -2.05 116.57 118.60 1x2a h LYS 55 Ca 0.31 0.02 0.02 0.00 -1.87 0.00 0.00 60.65 59.13 1x2a h LYS 55 Cb 0.00 0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.37 1x2a h LYS 55 CO -0.05 -0.22 0.38 0.00 -0.57 0.00 0.00 179.45 178.99 1x2a h ALA 56 N 0.34 1.63 -0.07 3.86 0.00 -0.85 -1.97 119.26 122.20 1x2a h ALA 56 Ca -0.04 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.74 1x2a h ALA 56 Cb 0.29 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1x2a h ALA 56 CO 0.06 0.33 -0.41 0.93 0.00 0.00 0.00 179.25 180.16 1x2a h GLU 57 N 0.75 0.15 -0.18 0.00 5.08 -0.68 -1.58 114.58 118.11 1x2a h GLU 57 Ca 0.22 -0.07 -0.21 0.00 -1.00 0.00 0.00 59.36 58.31 1x2a h GLU 57 Cb -0.03 -0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.23 1x2a h GLU 57 CO -0.05 0.54 -0.70 0.37 -1.00 0.00 0.00 179.01 178.16 1x2a h GLN 58 N 0.12 0.77 -0.40 2.33 4.15 -0.66 -1.17 115.11 120.25 1x2a h GLN 58 Ca 0.01 -0.58 0.02 0.00 0.77 0.00 0.00 58.65 58.87 1x2a h GLN 58 Cb 0.78 0.11 -0.03 0.00 0.21 0.00 0.00 27.48 28.55 1x2a h GLN 58 CO 0.06 1.20 0.22 -0.92 -1.93 0.00 0.00 178.83 177.46 1x2a h TYR 59 N 0.54 0.42 -0.58 3.99 3.20 -1.17 -1.60 116.97 121.77 1x2a h TYR 59 Ca -0.03 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.83 1x2a h TYR 59 Cb 1.32 -0.13 -0.03 0.00 1.54 0.00 0.00 36.73 39.43 1x2a h TYR 59 CO 0.08 0.23 0.27 -0.07 -1.64 0.00 0.00 178.16 177.03 1x2a h LEU 60 N 0.45 0.77 -1.20 2.82 3.38 -1.19 -0.43 115.31 119.91 1x2a h LEU 60 Ca 0.16 -0.14 0.04 0.00 0.09 0.00 0.00 57.88 58.03 1x2a h LEU 60 Cb 0.03 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 40.54 1x2a h LEU 60 CO -0.09 0.70 0.55 0.25 0.09 0.00 0.00 178.44 179.94 1x2a h LEU 61 N 0.80 0.89 0.00 1.67 5.85 -0.80 -0.56 115.31 123.16 1x2a h LEU 61 Ca 0.20 -0.01 -0.20 0.00 0.84 0.00 0.00 57.88 58.71 1x2a h LEU 61 Cb 0.14 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 40.93 1x2a h LEU 61 CO -0.02 0.61 -1.10 -0.33 -0.34 0.00 0.00 178.44 177.26 1x2a h GLU 62 N 1.03 0.00 0.00 1.25 5.08 -0.88 -3.38 114.58 117.68 1x2a h GLU 62 Ca 0.33 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.69 1x2a h GLU 62 Cb 0.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.29 1x2a h GLU 62 CO -0.10 0.68 -0.67 0.09 -1.00 0.00 0.00 179.01 178.01 1x2a n ASN 63 N -3.19 0.68 -4.71 1.42 4.13 -0.21 -4.97 115.26 108.41 1x2a n ASN 63 Ca -0.05 -0.79 -0.42 0.00 1.68 0.00 0.00 54.58 55.00 1x2a n ASN 63 Cb 0.91 1.02 -0.03 0.00 -1.54 0.00 0.00 39.78 40.14 1x2a n ASN 63 CO 0.00 0.00 0.00 -0.70 0.28 0.00 0.00 177.26 176.84 1x2a s GLU 64 N -2.30 4.39 0.00 3.52 2.12 -0.23 -4.91 118.70 121.30 1x2a s GLU 64 Ca 0.05 1.82 0.00 0.00 0.36 0.00 0.00 54.97 57.20 1x2a s GLU 64 Cb 0.10 -3.38 0.00 0.00 0.26 0.00 0.00 34.13 31.11 1x2a s GLU 64 CO 0.55 -0.33 0.78 0.25 -0.54 0.00 0.00 175.26 175.97 1x2a n THR 66 N 4.07 0.60 -3.59 -1.70 -2.24 -1.26 -4.98 114.28 105.18 1x2a n THR 66 Ca 0.10 -0.70 -0.09 0.00 -2.27 0.00 0.00 64.05 61.09 1x2a n THR 66 Cb 0.45 0.75 -0.05 0.00 -2.10 0.00 0.00 70.33 69.38 1x2a n THR 66 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1x2a s THR 67 N -0.60 0.00 -0.20 4.28 -1.32 -1.26 -5.02 115.64 111.52 1x2a s THR 67 Ca 0.00 0.00 0.16 0.00 -1.21 0.00 0.00 61.69 60.64 1x2a s THR 67 Cb 0.00 -1.00 0.57 0.00 -1.51 0.00 0.00 72.50 70.56 1x2a s THR 67 CO 0.00 0.00 1.47 0.29 -2.21 0.00 0.00 174.62 174.17 1x2a n LYS 68 N 0.85 3.20 -1.59 7.08 4.76 -1.26 -5.04 118.16 126.16 1x2a n LYS 68 Ca -0.09 -2.88 -0.44 0.00 -2.87 0.00 0.00 58.31 52.03 1x2a n LYS 68 Cb 0.58 -1.90 -0.01 0.00 -1.84 0.00 0.00 35.03 31.86 1x2a n LYS 68 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 1x2a n ASN 69 N -0.33 1.32 -4.46 4.39 4.05 -1.26 -4.82 115.26 114.15 1x2a n ASN 69 Ca 0.22 1.16 -0.48 0.00 0.45 0.00 0.00 54.58 55.93 1x2a n ASN 69 Cb 0.93 -1.30 -0.03 0.00 1.23 0.00 0.00 39.78 40.61 1x2a n ASN 69 CO 0.00 0.00 0.00 -1.22 -3.05 0.00 0.00 177.26 172.99 1x2a n TYR 70 N 0.11 0.10 -2.31 1.20 4.01 -1.26 -4.99 117.16 114.03 1x2a n TYR 70 Ca 0.09 0.90 -0.25 0.00 -0.16 0.00 0.00 57.90 58.48 1x2a n TYR 70 Cb 0.33 -2.06 0.07 0.00 -0.31 0.00 0.00 39.34 37.37 1x2a n TYR 70 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1x2a s LEU 71 N 2.06 2.92 0.71 7.72 1.02 -1.26 -5.05 118.68 126.79 1x2a s LEU 71 Ca 0.65 0.31 -0.11 0.00 0.02 0.00 0.00 54.13 55.00 1x2a s LEU 71 Cb -0.90 -2.98 0.02 0.00 0.02 0.00 0.00 46.19 42.35 1x2a s LEU 71 CO 0.57 -1.54 1.07 -0.83 0.02 0.00 0.00 176.35 175.64 1x2a s GLY 72 N -4.52 1.71 0.33 -3.19 0.00 -1.26 -4.88 107.32 95.51 1x2a s GLY 72 Ca 0.60 0.16 0.12 0.00 0.00 0.00 0.00 44.72 45.60 1x2a s GLY 72 CO 0.43 0.48 1.68 -2.22 0.00 0.00 0.00 173.10 173.47 1x2a h ILE 73 N -0.73 0.36 -0.36 0.90 2.04 -1.97 0.12 117.51 117.87 1x2a h ILE 73 Ca -0.44 -0.13 0.00 0.00 1.00 0.00 0.00 64.86 65.29 1x2a h ILE 73 Cb 1.22 -0.05 0.00 0.00 -0.74 0.00 0.00 36.82 37.24 1x2a h ILE 73 CO 0.55 0.07 0.00 -0.90 0.00 0.00 0.00 178.15 177.87 1x2a n ASP 74 N -5.02 2.07 0.00 1.72 5.75 -1.26 -4.34 116.55 115.47 1x2a n ASP 74 Ca 0.30 -1.95 0.00 0.00 -0.01 0.00 0.00 54.79 53.13 1x2a n ASP 74 Cb 0.91 -0.24 0.00 0.00 -1.03 0.00 0.00 41.12 40.76 1x2a n ASP 74 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1x2a n GLY 75 N 1.14 -1.88 3.66 6.12 0.00 0.42 -1.27 105.19 113.39 1x2a n GLY 75 Ca 0.14 -1.47 -0.42 0.00 0.00 0.00 0.00 46.02 44.27 1x2a n GLY 75 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1x2a s ILE 76 N 0.00 3.55 0.18 -0.61 1.01 -1.26 -4.45 121.20 119.61 1x2a s ILE 76 Ca 0.00 0.67 -0.19 0.00 0.00 0.00 0.00 60.65 61.13 1x2a s ILE 76 Cb 0.00 -3.43 0.12 0.00 0.01 0.00 0.00 42.46 39.16 1x2a s ILE 76 CO 0.00 -0.06 1.63 -0.65 0.00 0.00 0.00 174.94 175.86 1x2a h PRO 77 N 9.55 -0.12 -0.91 2.79 0.11 -1.98 -1.10 132.00 140.34 1x2a h PRO 77 Ca -0.40 0.01 0.07 0.00 0.11 0.00 0.00 66.00 65.79 1x2a h PRO 77 Cb 1.18 0.03 -0.06 0.00 0.11 0.00 0.00 31.00 32.26 1x2a h PRO 77 CO 0.95 -0.08 0.59 0.93 -0.21 0.00 0.00 178.00 180.19 1x2a h GLU 78 N -0.12 0.98 -0.29 1.05 4.39 -1.99 -1.73 114.58 116.88 1x2a h GLU 78 Ca 0.21 -0.06 0.03 0.00 0.34 0.00 0.00 59.36 59.89 1x2a h GLU 78 Cb 0.45 -0.22 -0.03 0.00 -0.10 0.00 0.00 28.75 28.85 1x2a h GLU 78 CO -0.53 0.65 0.09 0.35 -1.16 0.00 0.00 179.01 178.41 1x2a h PHE 79 N 1.01 0.15 -0.45 4.33 3.57 -1.56 0.40 116.94 124.40 1x2a h PHE 79 Ca 0.40 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.93 1x2a h PHE 79 Cb 0.24 -0.03 -0.03 0.00 2.79 0.00 0.00 35.95 38.93 1x2a h PHE 79 CO -0.00 0.06 0.28 0.78 -2.23 0.00 0.00 178.31 177.20 1x2a h GLY 80 N 0.21 0.63 0.89 2.40 0.00 -0.91 -1.87 103.07 104.42 1x2a h GLY 80 Ca 0.13 -0.21 -0.00 0.00 0.00 0.00 0.00 47.33 47.25 1x2a h GLY 80 CO -0.15 0.19 0.01 -0.09 0.00 0.00 0.00 176.54 176.51 1x2a h ARG 81 N 0.56 0.04 -0.57 4.80 2.43 -0.95 -2.64 114.38 118.05 1x2a h ARG 81 Ca 0.17 -0.00 0.01 0.00 -0.81 0.00 0.00 59.98 59.35 1x2a h ARG 81 Cb -0.02 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.50 1x2a h ARG 81 CO -0.07 0.13 0.38 0.00 -1.51 0.00 0.00 179.97 178.91 1x2a h THR 83 N 0.76 1.28 -0.81 0.00 1.35 -1.18 -2.18 112.91 112.13 1x2a h THR 83 Ca 0.21 -1.65 -0.04 0.00 -0.55 0.00 0.00 66.41 64.38 1x2a h THR 83 Cb -0.07 1.52 -0.04 0.00 -1.73 0.00 0.00 68.15 67.84 1x2a h THR 83 CO -0.05 0.54 0.36 1.56 -0.25 0.00 0.00 175.52 177.68 1x2a h GLN 84 N 0.68 1.19 -0.49 4.72 4.20 -1.10 0.07 115.11 124.38 1x2a h GLN 84 Ca 0.04 -0.19 -0.02 0.00 0.06 0.00 0.00 58.65 58.53 1x2a h GLN 84 Cb 1.06 -0.20 -0.02 0.00 0.30 0.00 0.00 27.48 28.62 1x2a h GLN 84 CO 0.11 0.93 0.22 0.93 -0.67 0.00 0.00 178.83 180.35 1x2a h GLU 85 N 1.16 0.72 -0.56 1.46 5.08 -1.33 0.68 114.58 121.79 1x2a h GLU 85 Ca 0.27 -0.12 -0.02 0.00 -1.00 0.00 0.00 59.36 58.50 1x2a h GLU 85 Cb 0.16 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.26 1x2a h GLU 85 CO -0.03 0.62 0.26 -0.07 -1.00 0.00 0.00 179.01 178.79 1x2a h LEU 86 N 0.65 0.71 0.02 1.33 3.38 -0.87 0.17 115.31 120.69 1x2a h LEU 86 Ca 0.17 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 1x2a h LEU 86 Cb 0.15 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.72 1x2a h LEU 86 CO -0.02 0.61 -0.01 -0.07 0.09 0.00 0.00 178.44 179.04 1x2a h LEU 87 N 0.78 -0.02 0.00 1.67 3.38 -0.58 -3.41 115.31 117.13 1x2a h LEU 87 Ca 0.19 -0.62 0.00 0.00 0.09 0.00 0.00 57.88 57.55 1x2a h LEU 87 Cb 0.10 0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.85 1x2a h LEU 87 CO -0.02 0.77 -1.43 0.49 0.09 0.00 0.00 178.44 178.33 1x2a n PHE 88 N -4.70 0.07 0.00 1.13 3.72 0.20 -4.76 117.46 113.12 1x2a n PHE 88 Ca -0.07 0.02 0.00 0.00 -0.05 0.00 0.00 57.45 57.35 1x2a n PHE 88 Cb 0.31 -0.32 0.00 0.00 -0.94 0.00 0.00 39.48 38.53 1x2a n PHE 88 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1x2a n GLY 89 N 1.37 2.33 0.33 1.37 0.00 0.58 -4.49 105.19 106.68 1x2a n GLY 89 Ca 0.00 -1.55 0.00 0.00 0.00 0.00 0.00 46.02 44.47 1x2a n GLY 89 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1x2a h LYS 90 N 0.00 -0.04 -0.45 1.61 1.57 -1.90 -0.65 116.57 116.71 1x2a h LYS 90 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1x2a h LYS 90 Cb 0.00 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.32 1x2a h LYS 90 CO 0.00 -0.03 0.00 0.41 -0.57 0.00 0.00 179.45 179.26 1x2a n GLY 91 N -1.50 1.07 3.45 3.86 0.00 -1.26 -4.96 105.19 105.86 1x2a n GLY 91 Ca 0.10 -0.45 -0.43 0.00 0.00 0.00 0.00 46.02 45.23 1x2a n GLY 91 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1x2a n SER 92 N 0.67 -0.76 0.07 1.61 2.88 -0.25 -4.85 113.62 112.99 1x2a n SER 92 Ca 0.14 0.97 -0.07 0.00 -1.33 0.00 0.00 58.87 58.58 1x2a n SER 92 Cb 0.39 -1.10 0.09 0.00 -0.75 0.00 0.00 64.21 62.84 1x2a n SER 92 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1x2a h ALA 93 N 0.96 0.76 -0.49 -1.46 0.00 -1.91 -2.72 119.26 114.41 1x2a h ALA 93 Ca -0.38 -0.57 0.01 0.00 0.00 0.00 0.00 54.91 53.97 1x2a h ALA 93 Cb 1.40 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 19.08 1x2a h ALA 93 CO 0.53 0.76 0.32 -0.07 0.00 0.00 0.00 179.25 180.79 1x2a h LEU 94 N 0.20 0.53 0.09 0.00 3.38 -1.94 -0.61 115.31 116.95 1x2a h LEU 94 Ca -0.01 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 1x2a h LEU 94 Cb 1.19 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.81 1x2a h LEU 94 CO 0.10 0.38 -0.04 0.40 0.09 0.00 0.00 178.44 179.37 1x2a h ILE 95 N 0.62 0.89 -0.89 1.22 2.04 -1.90 -0.53 117.51 118.97 1x2a h ILE 95 Ca 0.19 -1.41 0.17 0.00 1.00 0.00 0.00 64.86 64.81 1x2a h ILE 95 Cb -0.02 1.59 -0.10 0.00 -0.74 0.00 0.00 36.82 37.55 1x2a h ILE 95 CO -0.04 0.27 0.46 0.78 0.00 0.00 0.00 178.15 179.61 1x2a h ASN 96 N -0.93 0.53 0.21 1.72 -0.26 -1.32 0.44 115.58 115.97 1x2a h ASN 96 Ca -0.01 0.11 0.00 0.00 -0.56 0.00 0.00 56.30 55.84 1x2a h ASN 96 Cb 0.53 0.03 0.00 0.00 -1.06 0.00 0.00 38.32 37.82 1x2a h ASN 96 CO 0.02 0.18 -0.05 0.47 -1.06 0.00 0.00 177.43 176.99 1x2a n ASP 97 N -4.89 0.45 -3.61 5.81 8.00 -0.25 -4.94 116.55 117.11 1x2a n ASP 97 Ca 0.19 -0.81 -0.20 0.00 0.71 0.00 0.00 54.79 54.69 1x2a n ASP 97 Cb 0.51 -0.06 0.05 0.00 -0.02 0.00 0.00 41.12 41.60 1x2a n ASP 97 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1x2a n LYS 98 N -0.82 -5.38 0.00 -1.24 5.02 0.16 -4.25 118.16 111.64 1x2a n LYS 98 Ca 0.18 0.69 0.13 0.00 -2.02 0.00 0.00 58.31 57.29 1x2a n LYS 98 Cb 0.24 -5.38 0.30 0.00 -0.02 0.00 0.00 35.03 30.17 1x2a n LYS 98 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1x2a n ARG 99 N -4.22 1.90 -4.77 1.97 1.74 -0.24 -3.61 116.66 109.43 1x2a n ARG 99 Ca -0.30 -1.38 -0.25 0.00 -0.77 0.00 0.00 57.85 55.16 1x2a n ARG 99 Cb 0.68 -1.47 -0.15 0.00 -1.02 0.00 0.00 32.46 30.49 1x2a n ARG 99 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1x2a s ALA 100 N -2.04 1.50 -0.02 7.54 0.00 -1.25 -1.10 121.76 126.38 1x2a s ALA 100 Ca 0.32 -0.82 0.04 0.00 0.00 0.00 0.00 51.96 51.49 1x2a s ALA 100 Cb 0.20 -0.35 -0.01 0.00 0.00 0.00 0.00 23.12 22.97 1x2a s ALA 100 CO 0.34 0.36 -0.12 1.03 0.00 0.00 0.00 175.76 177.36 1x2a s ARG 101 N -0.62 1.10 -0.07 0.00 1.81 -0.53 -4.98 118.95 115.66 1x2a s ARG 101 Ca 0.06 -0.43 0.04 0.00 -1.72 0.00 0.00 55.73 53.69 1x2a s ARG 101 Cb -0.07 -1.03 -0.00 0.00 -0.45 0.00 0.00 34.95 33.39 1x2a s ARG 101 CO -0.00 0.23 -0.22 0.99 -0.68 0.00 0.00 175.30 175.61 1x2a s THR 102 N -0.12 1.86 -0.12 0.02 2.01 -1.26 -0.67 115.64 117.36 1x2a s THR 102 Ca 0.02 -0.93 -0.03 0.00 0.31 0.00 0.00 61.69 61.06 1x2a s THR 102 Cb -0.07 -1.60 -0.03 0.00 0.01 0.00 0.00 72.50 70.81 1x2a s THR 102 CO 0.00 0.52 -0.02 0.00 -0.69 0.00 0.00 174.62 174.43 1x2a s ALA 103 N 0.18 3.12 0.01 7.40 0.00 -0.58 -4.78 121.76 127.11 1x2a s ALA 103 Ca -0.12 -0.82 -0.30 0.00 0.00 0.00 0.00 51.96 50.72 1x2a s ALA 103 Cb -0.16 -1.51 -0.04 0.00 0.00 0.00 0.00 23.12 21.41 1x2a s ALA 103 CO 0.06 0.38 1.08 -1.14 0.00 0.00 0.00 175.76 176.14 1x2a s GLN 104 N -0.20 4.48 0.34 0.00 0.74 -0.40 -1.35 119.66 123.28 1x2a s GLN 104 Ca 0.04 1.57 0.06 0.00 0.05 0.00 0.00 55.36 57.08 1x2a s GLN 104 Cb -0.13 -3.44 -0.07 0.00 1.10 0.00 0.00 33.01 30.48 1x2a s GLN 104 CO 0.02 -0.19 0.01 0.95 -0.55 0.00 0.00 175.29 175.53 1x2a s THR 105 N 1.26 1.58 -1.14 -0.34 -4.23 0.13 -4.61 115.64 108.29 1x2a s THR 105 Ca 0.54 -2.03 -0.19 0.00 -1.18 0.00 0.00 61.69 58.83 1x2a s THR 105 Cb -0.24 -2.79 0.09 0.00 1.34 0.00 0.00 72.50 70.90 1x2a s THR 105 CO 0.27 -0.07 1.49 -2.16 -0.54 0.00 0.00 174.62 173.61 1x2a s PRO 106 N -3.79 3.82 0.04 3.99 0.04 -1.26 -1.78 135.00 136.06 1x2a s PRO 106 Ca 0.35 -1.79 0.00 0.00 0.04 0.00 0.00 61.00 59.59 1x2a s PRO 106 Cb 0.08 -5.30 0.00 0.00 0.04 0.00 0.00 34.50 29.32 1x2a s PRO 106 CO 0.16 -2.08 0.00 0.41 0.04 0.00 0.00 177.00 175.53 1x2a n GLY 107 N 5.65 -1.89 0.28 0.56 0.00 -1.03 -2.34 105.19 106.40 1x2a n GLY 107 Ca 0.38 -1.47 -0.02 0.00 0.00 0.00 0.00 46.02 44.90 1x2a n GLY 107 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1x2a h GLY 108 N -0.11 0.70 0.98 -0.02 0.00 -1.76 -2.25 103.07 100.61 1x2a h GLY 108 Ca -0.01 -0.45 -0.00 0.00 0.00 0.00 0.00 47.33 46.88 1x2a h GLY 108 CO 0.00 0.41 0.23 -0.84 0.00 0.00 0.00 176.54 176.34 1x2a h THR 109 N 0.61 1.12 -0.56 4.70 2.02 -1.91 -1.87 112.91 117.02 1x2a h THR 109 Ca 0.12 -0.27 0.04 0.00 0.77 0.00 0.00 66.41 67.07 1x2a h THR 109 Cb 0.41 0.63 -0.03 0.00 -1.74 0.00 0.00 68.15 67.42 1x2a h THR 109 CO 0.02 0.12 0.37 1.23 0.37 0.00 0.00 175.52 177.63 1x2a h GLY 110 N 0.49 0.71 1.24 2.16 0.00 -1.03 -1.67 103.07 104.97 1x2a h GLY 110 Ca 0.13 -0.24 -0.15 0.00 0.00 0.00 0.00 47.33 47.08 1x2a h GLY 110 CO -0.03 0.20 -0.36 0.00 0.00 0.00 0.00 176.54 176.36 1x2a h ALA 111 N 1.68 0.69 -0.58 3.60 0.00 -0.86 -2.13 119.26 121.66 1x2a h ALA 111 Ca 0.23 -0.44 -0.11 0.00 0.00 0.00 0.00 54.91 54.60 1x2a h ALA 111 Cb 0.16 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1x2a h ALA 111 CO -0.06 0.67 -0.06 -0.07 0.00 0.00 0.00 179.25 179.72 1x2a h LEU 112 N 0.69 1.05 -0.50 0.00 3.38 -0.63 -2.04 115.31 117.26 1x2a h LEU 112 Ca 0.07 -0.33 -0.07 0.00 0.09 0.00 0.00 57.88 57.63 1x2a h LEU 112 Cb 0.92 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 41.36 1x2a h LEU 112 CO 0.08 1.14 0.03 -0.09 0.09 0.00 0.00 178.44 179.69 1x2a h ARG 113 N 0.95 0.86 -0.06 1.13 9.65 -1.24 0.19 114.38 125.85 1x2a h ARG 113 Ca 0.16 -0.26 -0.13 0.00 -1.10 0.00 0.00 59.98 58.65 1x2a h ARG 113 Cb 0.63 -0.09 -0.01 0.00 -1.39 0.00 0.00 29.97 29.11 1x2a h ARG 113 CO 0.04 0.88 -0.55 -0.39 2.80 0.00 0.00 179.97 182.76 1x2a h VAL 114 N 0.73 1.37 -0.62 0.20 -1.51 -1.36 0.07 116.25 115.13 1x2a h VAL 114 Ca 0.15 -1.85 -0.09 0.00 -1.23 0.00 0.00 66.70 63.67 1x2a h VAL 114 Cb 0.48 1.93 -0.02 0.00 -2.13 0.00 0.00 31.29 31.54 1x2a h VAL 114 CO 0.02 0.54 0.02 0.00 -1.23 0.00 0.00 177.57 176.93 1x2a h ALA 115 N 1.30 0.86 -0.01 5.19 0.00 -1.12 -0.62 119.26 124.86 1x2a h ALA 115 Ca 0.00 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.61 1x2a h ALA 115 Cb 1.01 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.57 1x2a h ALA 115 CO 0.08 0.67 -0.00 0.00 0.00 0.00 0.00 179.25 180.00 1x2a h ALA 116 N 1.02 0.01 -0.36 0.00 0.00 -0.58 -1.54 119.26 117.80 1x2a h ALA 116 Ca 0.18 -0.17 0.03 0.00 0.00 0.00 0.00 54.91 54.95 1x2a h ALA 116 Cb 0.53 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 1x2a h ALA 116 CO 0.03 -0.32 0.16 -0.44 0.00 0.00 0.00 179.25 178.68 1x2a h ASP 117 N -0.33 0.22 -0.41 0.00 3.32 -0.95 -0.05 116.42 118.22 1x2a h ASP 117 Ca 0.00 0.03 0.06 0.00 0.02 0.00 0.00 57.03 57.14 1x2a h ASP 117 Cb 0.34 -0.01 -0.05 0.00 0.22 0.00 0.00 39.33 39.83 1x2a h ASP 117 CO 0.00 0.16 0.11 0.15 -1.72 0.00 0.00 179.24 177.95 1x2a h PHE 118 N 0.34 0.20 -0.24 4.55 3.57 -1.07 -0.87 116.94 123.41 1x2a h PHE 118 Ca 0.16 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.63 1x2a h PHE 118 Cb 0.09 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 38.80 1x2a h PHE 118 CO -0.12 0.05 -0.06 -0.07 -2.23 0.00 0.00 178.31 175.89 1x2a h LEU 119 N 0.26 0.47 -0.48 0.59 3.38 -0.93 -0.86 115.31 117.74 1x2a h LEU 119 Ca 0.20 -0.37 -0.01 0.00 0.09 0.00 0.00 57.88 57.79 1x2a h LEU 119 Cb 0.21 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 1x2a h LEU 119 CO -0.23 0.73 0.26 0.00 0.09 0.00 0.00 178.44 179.29 1x2a h ALA 120 N 0.76 0.61 0.00 1.53 0.00 -0.79 -2.35 119.26 119.03 1x2a h ALA 120 Ca 0.06 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 1x2a h ALA 120 Cb 0.52 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1x2a h ALA 120 CO 0.02 0.13 -0.61 1.57 0.00 0.00 0.00 179.25 180.37 1x2a h LYS 121 N 0.63 0.00 0.00 0.00 -0.00 -1.18 -3.39 116.57 112.62 1x2a h LYS 121 Ca 0.17 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.82 1x2a h LYS 121 Cb 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 32.28 1x2a h LYS 121 CO -0.03 0.22 0.00 0.09 -0.00 0.00 0.00 179.45 179.73 1x2a n ASN 122 N -3.02 1.73 -2.91 7.07 3.02 -0.33 -5.08 115.26 115.74 1x2a n ASN 122 Ca 0.00 -1.74 -0.16 0.00 -0.03 0.00 0.00 54.58 52.65 1x2a n ASN 122 Cb 0.66 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.77 1x2a n ASN 122 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1x2a n THR 123 N -0.37 0.00 -0.30 3.41 -2.24 -0.89 -5.00 114.28 108.89 1x2a n THR 123 Ca 0.00 -1.98 0.10 0.00 -2.27 0.00 0.00 64.05 59.89 1x2a n THR 123 Cb 0.19 1.05 0.32 0.00 -2.10 0.00 0.00 70.33 69.78 1x2a n THR 123 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1x2a n SER 124 N -1.79 4.06 -4.74 3.42 3.41 -1.26 -4.83 113.62 111.89 1x2a n SER 124 Ca 0.05 -2.23 -0.42 0.00 -0.26 0.00 0.00 58.87 56.01 1x2a n SER 124 Cb 0.53 -0.51 -0.02 0.00 -0.26 0.00 0.00 64.21 63.95 1x2a n SER 124 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1x2a s VAL 125 N -1.51 2.25 0.00 -3.33 1.01 -1.26 -4.86 120.40 112.70 1x2a s VAL 125 Ca 0.46 0.20 0.00 0.00 0.00 0.00 0.00 61.98 62.64 1x2a s VAL 125 Cb 0.27 -3.13 0.00 0.00 0.00 0.00 0.00 36.38 33.53 1x2a s VAL 125 CO 0.26 0.02 0.00 2.29 0.00 0.00 0.00 175.10 177.68 1x2a n LYS 126 N 3.00 1.92 -4.24 2.72 0.00 -1.26 -4.78 118.16 115.52 1x2a n LYS 126 Ca 0.11 0.00 -0.17 0.00 -0.00 0.00 0.00 58.31 58.25 1x2a n LYS 126 Cb 0.37 -0.89 -0.14 0.00 -0.00 0.00 0.00 35.03 34.37 1x2a n LYS 126 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.40 177.90 1x2a s ARG 129 N -1.63 0.59 -0.09 -1.58 3.52 -1.26 -2.12 118.95 116.38 1x2a s ARG 129 Ca 0.00 -0.34 0.03 0.00 -0.13 0.00 0.00 55.73 55.30 1x2a s ARG 129 Cb 0.00 -0.55 0.00 0.00 -1.56 0.00 0.00 34.95 32.85 1x2a s ARG 129 CO 0.00 0.14 -0.20 0.08 -0.81 0.00 0.00 175.30 174.51 1x2a s VAL 133 N -0.34 1.79 -0.24 7.11 1.01 -0.24 -1.52 120.40 127.96 1x2a s VAL 133 Ca 0.01 -0.86 -0.09 0.00 0.00 0.00 0.00 61.98 61.04 1x2a s VAL 133 Cb -0.04 -1.56 -0.04 0.00 0.00 0.00 0.00 36.38 34.74 1x2a s VAL 133 CO -0.00 0.50 0.13 0.26 0.00 0.00 0.00 175.10 175.99 1x2a s TRP 134 N 0.46 3.22 0.14 5.22 0.52 0.11 -1.05 118.94 127.55 1x2a s TRP 134 Ca -0.17 0.02 0.10 0.00 0.02 0.00 0.00 56.10 56.07 1x2a s TRP 134 Cb -0.17 -2.26 -0.04 0.00 -1.15 0.00 0.00 33.47 29.85 1x2a s TRP 134 CO 0.07 -0.08 -0.22 0.08 0.02 0.00 0.00 176.95 176.82 1x2a s VAL 135 N 1.26 2.56 0.57 4.03 1.01 0.45 -0.35 120.40 129.93 1x2a s VAL 135 Ca 0.06 -1.68 -0.18 0.00 0.00 0.00 0.00 61.98 60.18 1x2a s VAL 135 Cb -0.14 -2.17 -0.05 0.00 0.00 0.00 0.00 36.38 34.02 1x2a s VAL 135 CO 0.05 0.06 1.11 -0.94 0.00 0.00 0.00 175.10 175.38 1x2a s SER 136 N -2.21 5.65 -0.22 3.32 1.04 -1.26 -1.31 113.70 118.70 1x2a s SER 136 Ca 0.17 2.07 0.02 0.00 0.48 0.00 0.00 55.95 58.69 1x2a s SER 136 Cb -0.10 -2.57 0.05 0.00 0.10 0.00 0.00 66.02 63.50 1x2a s SER 136 CO 0.09 -1.26 -0.12 0.21 0.98 0.00 0.00 173.24 173.14 1x2a s ASN 137 N -2.08 3.77 0.97 7.02 2.47 -0.42 -3.25 114.94 123.42 1x2a s ASN 137 Ca 0.70 -1.06 -0.16 0.00 0.42 0.00 0.00 52.86 52.76 1x2a s ASN 137 Cb -0.21 -1.38 0.21 0.00 -1.45 0.00 0.00 41.25 38.41 1x2a s ASN 137 CO 0.30 -0.15 1.32 -2.16 -3.72 0.00 0.00 177.10 172.70 1x2a s PRO 138 N 1.27 0.54 0.32 0.43 0.04 -1.26 -3.45 135.00 132.90 1x2a s PRO 138 Ca -0.03 -0.51 -0.17 0.00 0.04 0.00 0.00 61.00 60.33 1x2a s PRO 138 Cb -0.17 -1.86 0.06 0.00 0.04 0.00 0.00 34.50 32.57 1x2a s PRO 138 CO -0.08 -2.46 0.87 0.45 0.04 0.00 0.00 177.00 175.82 1x2a n SER 139 N -3.77 -2.11 -4.69 6.66 2.88 -1.20 -4.74 113.62 106.65 1x2a n SER 139 Ca 0.16 -2.36 -0.42 0.00 -1.33 0.00 0.00 58.87 54.92 1x2a n SER 139 Cb 0.59 3.49 -0.03 0.00 -0.75 0.00 0.00 64.21 67.52 1x2a n SER 139 CO 0.00 0.00 0.00 0.86 -1.23 0.00 0.00 175.04 174.67 1x2a s TRP 140 N -2.16 2.31 0.29 0.66 -0.00 -1.11 -4.56 118.94 114.36 1x2a s TRP 140 Ca 0.18 0.20 0.03 0.00 -0.00 0.00 0.00 56.10 56.51 1x2a s TRP 140 Cb -0.04 -4.03 0.71 0.00 -0.00 0.00 0.00 33.47 30.10 1x2a s TRP 140 CO 0.10 -4.20 1.69 -1.35 -0.00 0.00 0.00 176.95 173.18 1x2a h PRO 141 N 8.48 0.36 0.00 5.86 0.11 -1.99 -2.29 132.00 142.52 1x2a h PRO 141 Ca -0.44 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1x2a h PRO 141 Cb 1.21 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1x2a h PRO 141 CO 0.94 0.24 0.00 -1.71 -0.21 0.00 0.00 178.00 177.25 1x2a n ASN 142 N -5.07 0.67 -0.07 -2.05 5.15 -1.26 -3.53 115.26 109.10 1x2a n ASN 142 Ca 0.21 0.69 -0.07 0.00 -0.60 0.00 0.00 54.58 54.82 1x2a n ASN 142 Cb 0.65 -0.82 -0.01 0.00 -0.53 0.00 0.00 39.78 39.06 1x2a n ASN 142 CO 0.00 0.00 0.00 0.45 1.40 0.00 0.00 177.26 179.11 1x2a h HIS 143 N 0.00 -0.08 -0.61 1.20 3.86 -1.80 -1.49 115.15 116.23 1x2a h HIS 143 Ca 0.00 0.02 -0.03 0.00 -1.16 0.00 0.00 60.37 59.21 1x2a h HIS 143 Cb 0.29 0.08 -0.03 0.00 1.06 0.00 0.00 27.41 28.81 1x2a h HIS 143 CO 0.00 -0.08 0.28 -0.22 0.86 0.00 0.00 177.93 178.77 1x2a h LYS 144 N 0.04 0.89 -0.68 2.45 3.64 -1.78 -2.83 116.57 118.29 1x2a h LYS 144 Ca 0.13 -0.14 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1x2a h LYS 144 Cb 0.19 -0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 31.82 1x2a h LYS 144 CO -0.25 0.72 0.44 0.77 -2.27 0.00 0.00 179.45 178.86 1x2a h SER 145 N 0.84 0.79 0.24 4.20 0.02 -1.65 -0.22 113.55 117.77 1x2a h SER 145 Ca 0.21 -0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 61.12 1x2a h SER 145 Cb 0.14 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 62.48 1x2a h SER 145 CO -0.02 0.58 -0.12 0.58 -1.14 0.00 0.00 176.83 176.71 1x2a h VAL 146 N 0.92 0.78 -0.39 2.27 2.07 -1.14 -1.25 116.25 119.52 1x2a h VAL 146 Ca 0.25 -0.12 -0.11 0.00 0.82 0.00 0.00 66.70 67.54 1x2a h VAL 146 Cb -0.09 0.85 -0.02 0.00 -1.52 0.00 0.00 31.29 30.51 1x2a h VAL 146 CO -0.05 0.03 -0.19 -0.26 0.02 0.00 0.00 177.57 177.12 1x2a h PHE 147 N -0.39 0.84 -0.15 1.57 0.04 -1.44 -2.65 116.94 114.76 1x2a h PHE 147 Ca -0.03 -0.18 -0.05 0.00 2.80 0.00 0.00 57.97 60.51 1x2a h PHE 147 Cb 0.30 -0.21 -0.01 0.00 2.20 0.00 0.00 35.95 38.23 1x2a h PHE 147 CO -0.04 0.88 -0.12 -0.91 -0.60 0.00 0.00 178.31 177.51 1x2a h ASN 148 N 0.66 0.22 0.38 2.17 2.35 -0.96 -1.76 115.58 118.64 1x2a h ASN 148 Ca 0.10 -0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.81 1x2a h ASN 148 Cb 0.68 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 38.99 1x2a h ASN 148 CO 0.05 0.37 0.00 0.77 -1.65 0.00 0.00 177.43 176.97 1x2a h SER 149 N 0.22 0.00 -0.28 5.81 4.64 -0.84 0.26 113.55 123.36 1x2a h SER 149 Ca 0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 1x2a h SER 149 Cb 0.36 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.45 1x2a h SER 149 CO 0.02 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.98 1x2a n ALA 150 N -1.88 2.42 -0.63 5.18 0.00 -0.71 -4.95 120.51 119.94 1x2a n ALA 150 Ca -0.00 -0.91 0.00 0.00 0.00 0.00 0.00 53.44 52.53 1x2a n ALA 150 Cb 0.14 -0.78 0.00 0.00 0.00 0.00 0.00 19.45 18.81 1x2a n ALA 150 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1x2a n GLY 151 N 1.33 0.68 3.74 0.00 0.00 0.08 -4.82 105.19 106.20 1x2a n GLY 151 Ca 0.17 -0.01 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 1x2a n GLY 151 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1x2a s LEU 152 N 0.00 4.40 0.16 0.99 1.02 -0.88 -5.00 118.68 119.38 1x2a s LEU 152 Ca 0.00 1.30 -0.30 0.00 0.02 0.00 0.00 54.13 55.15 1x2a s LEU 152 Cb 0.00 -3.10 -0.07 0.00 0.02 0.00 0.00 46.19 43.03 1x2a s LEU 152 CO 0.00 0.00 1.11 -0.70 0.02 0.00 0.00 176.35 176.78 1x2a s GLU 154 N 0.15 4.58 -0.19 1.70 2.12 -0.90 -3.89 118.70 122.27 1x2a s GLU 154 Ca 0.36 1.72 -0.02 0.00 0.36 0.00 0.00 54.97 57.39 1x2a s GLU 154 Cb -0.19 -3.29 -0.01 0.00 0.26 0.00 0.00 34.13 30.91 1x2a s GLU 154 CO 0.20 0.04 -0.09 0.08 -0.54 0.00 0.00 175.26 174.96 1x2a s VAL 155 N -0.11 3.10 0.20 3.70 1.01 -1.26 -1.08 120.40 125.97 1x2a s VAL 155 Ca 0.50 -0.60 0.07 0.00 0.00 0.00 0.00 61.98 61.96 1x2a s VAL 155 Cb -0.29 -2.37 -0.04 0.00 0.00 0.00 0.00 36.38 33.68 1x2a s VAL 155 CO 0.34 0.47 0.05 -0.13 0.00 0.00 0.00 175.10 175.83 1x2a s ARG 156 N 1.16 2.53 0.11 2.72 1.81 -0.22 -4.98 118.95 122.09 1x2a s ARG 156 Ca 0.02 -1.13 0.07 0.00 -1.72 0.00 0.00 55.73 52.97 1x2a s ARG 156 Cb -0.14 -2.39 -0.04 0.00 -0.45 0.00 0.00 34.95 31.93 1x2a s ARG 156 CO -0.03 0.43 -0.10 -1.21 -0.68 0.00 0.00 175.30 173.71 1x2a s GLU 157 N -3.24 2.09 0.15 3.54 2.02 -1.26 -0.41 118.70 121.60 1x2a s GLU 157 Ca 0.29 -1.06 0.08 0.00 0.02 0.00 0.00 54.97 54.31 1x2a s GLU 157 Cb -0.09 -2.28 -0.04 0.00 0.10 0.00 0.00 34.13 31.83 1x2a s GLU 157 CO 0.20 0.50 -0.19 1.52 0.02 0.00 0.00 175.26 177.31 1x2a s TYR 158 N -1.27 1.81 0.61 1.61 -0.85 -0.43 -4.89 117.35 113.94 1x2a s TYR 158 Ca 0.22 -0.46 -0.18 0.00 -0.52 0.00 0.00 57.07 56.13 1x2a s TYR 158 Cb -0.11 -0.92 -0.03 0.00 0.38 0.00 0.00 41.96 41.28 1x2a s TYR 158 CO 0.14 0.31 1.18 0.00 -1.52 0.00 0.00 175.55 175.65 1x2a s ALA 159 N -1.89 2.52 0.08 9.51 0.00 -1.26 -1.30 121.76 129.42 1x2a s ALA 159 Ca 0.14 0.89 0.00 0.00 0.00 0.00 0.00 51.96 52.99 1x2a s ALA 159 Cb -0.06 -3.42 0.00 0.00 0.00 0.00 0.00 23.12 19.64 1x2a s ALA 159 CO 0.06 -1.17 0.00 0.98 0.00 0.00 0.00 175.76 175.63 1x2a n TYR 160 N -1.76 -1.67 -3.66 0.00 9.36 -1.22 -4.13 117.16 114.07 1x2a n TYR 160 Ca 0.13 0.22 -0.36 0.00 3.32 0.00 0.00 57.90 61.21 1x2a n TYR 160 Cb 0.50 0.88 -0.07 0.00 -0.63 0.00 0.00 39.34 40.02 1x2a n TYR 160 CO 0.00 0.00 0.00 -0.47 0.22 0.00 0.00 176.86 176.61 1x2a s TYR 161 N -2.00 3.49 -0.65 2.98 5.04 -1.26 -0.88 117.35 124.07 1x2a s TYR 161 Ca 0.00 0.52 -0.20 0.00 -2.44 0.00 0.00 57.07 54.95 1x2a s TYR 161 Cb 0.00 -2.20 0.10 0.00 0.35 0.00 0.00 41.96 40.20 1x2a s TYR 161 CO 0.00 0.37 0.83 0.34 -1.34 0.00 0.00 175.55 175.75 1x2a s ASP 162 N 0.06 6.23 0.15 4.32 -1.08 0.30 -4.72 116.67 121.92 1x2a s ASP 162 Ca 0.14 -1.35 0.17 0.00 -0.52 0.00 0.00 52.55 50.98 1x2a s ASP 162 Cb -0.12 -2.35 0.75 0.00 -1.46 0.00 0.00 42.92 39.74 1x2a s ASP 162 CO 0.03 -1.22 1.52 0.00 0.52 0.00 0.00 175.17 176.02 1x2a n ALA 163 N 6.79 1.46 -0.08 3.66 0.00 -1.26 -0.42 120.51 130.65 1x2a n ALA 163 Ca -0.05 0.05 -0.11 0.00 0.00 0.00 0.00 53.44 53.33 1x2a n ALA 163 Cb 0.44 -1.27 -0.06 0.00 0.00 0.00 0.00 19.45 18.56 1x2a n ALA 163 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1x2a h GLU 164 N 0.00 0.00 0.00 0.00 4.81 -1.95 -3.39 114.58 114.05 1x2a h GLU 164 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1x2a h GLU 164 Cb 0.21 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.59 1x2a h GLU 164 CO 0.00 0.43 -0.17 0.09 -0.73 0.00 0.00 179.01 178.63 1x2a n ASN 165 N -4.57 0.27 -3.37 1.04 5.03 -1.21 -4.93 115.26 107.52 1x2a n ASN 165 Ca -0.16 0.29 -0.20 0.00 0.87 0.00 0.00 54.58 55.38 1x2a n ASN 165 Cb 0.40 -0.30 0.08 0.00 -1.02 0.00 0.00 39.78 38.95 1x2a n ASN 165 CO 0.00 0.00 0.00 1.41 -1.83 0.00 0.00 177.26 176.84 1x2a n HIS 166 N -1.63 -2.46 -4.29 3.10 8.25 0.44 -4.99 115.22 113.64 1x2a n HIS 166 Ca 0.06 0.93 -0.18 0.00 -0.26 0.00 0.00 57.72 58.27 1x2a n HIS 166 Cb 0.36 -4.86 -0.07 0.00 1.12 0.00 0.00 29.99 26.53 1x2a n HIS 166 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 1x2a n THR 167 N -4.49 0.00 -2.76 1.59 -1.04 -1.13 -4.98 114.28 101.47 1x2a n THR 167 Ca -0.11 -2.12 -0.42 0.00 -2.04 0.00 0.00 64.05 59.36 1x2a n THR 167 Cb 0.60 1.00 -0.03 0.00 -1.82 0.00 0.00 70.33 70.08 1x2a n THR 167 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 1x2a s LEU 168 N 0.00 4.21 -1.21 -4.42 2.96 -1.26 -0.54 118.68 118.41 1x2a s LEU 168 Ca 0.31 1.38 -0.16 0.00 -0.22 0.00 0.00 54.13 55.45 1x2a s LEU 168 Cb 0.02 -3.43 0.13 0.00 0.50 0.00 0.00 46.19 43.41 1x2a s LEU 168 CO 0.22 -0.45 1.51 -0.62 -1.32 0.00 0.00 176.35 175.69 1x2a s ASP 169 N 1.12 6.96 0.28 3.68 -1.08 -0.06 -4.79 116.67 122.78 1x2a s ASP 169 Ca 0.44 -2.73 -0.00 0.00 -0.52 0.00 0.00 52.55 49.74 1x2a s ASP 169 Cb -0.17 -2.46 0.40 0.00 -1.46 0.00 0.00 42.92 39.22 1x2a s ASP 169 CO 0.15 -0.92 1.79 0.15 0.52 0.00 0.00 175.17 176.86 1x2a h PHE 170 N 7.46 0.77 -0.34 -5.34 3.57 -1.93 -0.92 116.94 120.21 1x2a h PHE 170 Ca 0.34 -0.10 -0.09 0.00 3.53 0.00 0.00 57.97 61.65 1x2a h PHE 170 Cb 0.89 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 39.40 1x2a h PHE 170 CO 1.21 0.72 -0.15 -0.44 -2.23 0.00 0.00 178.31 177.42 1x2a h ASP 171 N 0.69 0.72 -0.02 0.41 3.32 -1.98 -1.61 116.42 117.94 1x2a h ASP 171 Ca 0.14 -0.40 -0.09 0.00 0.02 0.00 0.00 57.03 56.70 1x2a h ASP 171 Cb 0.42 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.75 1x2a h ASP 171 CO 0.02 0.96 -0.25 0.00 -1.72 0.00 0.00 179.24 178.24 1x2a h ALA 172 N 0.79 1.15 -0.25 3.45 0.00 -1.91 -1.64 119.26 120.85 1x2a h ALA 172 Ca 0.08 -0.34 -0.04 0.00 0.00 0.00 0.00 54.91 54.62 1x2a h ALA 172 Cb 0.68 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1x2a h ALA 172 CO 0.05 0.54 0.02 1.25 0.00 0.00 0.00 179.25 181.10 1x2a h LEU 173 N 0.39 0.41 0.23 0.00 6.46 -0.97 0.94 115.31 122.78 1x2a h LEU 173 Ca 0.06 -0.29 -0.01 0.00 -0.12 0.00 0.00 57.88 57.52 1x2a h LEU 173 Cb 0.65 -0.11 0.00 0.00 -0.73 0.00 0.00 40.66 40.47 1x2a h LEU 173 CO 0.05 0.60 -0.11 0.40 -0.62 0.00 0.00 178.44 178.75 1x2a h ILE 174 N 0.21 0.80 -0.85 4.05 1.08 -1.20 -2.41 117.51 119.19 1x2a h ILE 174 Ca 0.07 -0.19 0.07 0.00 -0.39 0.00 0.00 64.86 64.42 1x2a h ILE 174 Cb 0.38 0.92 -0.06 0.00 -3.07 0.00 0.00 36.82 34.99 1x2a h ILE 174 CO 0.01 0.04 0.52 0.78 -0.69 0.00 0.00 178.15 178.81 1x2a h ASN 175 N -0.41 0.81 -0.43 1.72 2.35 -1.27 -2.31 115.58 116.04 1x2a h ASN 175 Ca -0.03 0.02 -0.00 0.00 -0.55 0.00 0.00 56.30 55.74 1x2a h ASN 175 Cb 0.31 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.52 1x2a h ASN 175 CO 0.05 0.51 0.27 0.28 -1.65 0.00 0.00 177.43 176.89 1x2a h SER 176 N 0.94 0.52 -0.42 5.81 0.02 -0.60 -2.54 113.55 117.27 1x2a h SER 176 Ca 0.38 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.30 1x2a h SER 176 Cb 0.20 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.61 1x2a h SER 176 CO -0.18 0.40 0.00 0.18 -1.14 0.00 0.00 176.83 176.08 1x2a n LEU 177 N -4.45 2.67 0.08 5.07 4.77 -0.88 -4.21 117.00 120.05 1x2a n LEU 177 Ca 0.03 -1.34 0.01 0.00 -0.03 0.00 0.00 56.01 54.69 1x2a n LEU 177 Cb 0.07 -0.36 0.35 0.00 -2.33 0.00 0.00 43.42 41.16 1x2a n LEU 177 CO 0.36 0.57 0.89 -1.13 -1.33 0.00 0.00 177.39 176.74 1x2a h ASN 178 N 2.53 0.30 -0.40 -1.43 -0.73 -1.34 -2.48 115.58 112.03 1x2a h ASN 178 Ca 0.00 -0.06 0.00 0.00 1.87 0.00 0.00 56.30 58.11 1x2a h ASN 178 Cb 0.76 -0.08 0.00 0.00 0.27 0.00 0.00 38.32 39.27 1x2a h ASN 178 CO 0.06 0.45 0.00 1.21 -0.37 0.00 0.00 177.43 178.78 1x2a n GLU 179 N -4.26 1.97 -2.64 6.67 4.07 -1.26 -4.82 120.64 120.37 1x2a n GLU 179 Ca -0.00 -1.50 -0.43 0.00 -0.06 0.00 0.00 57.16 55.17 1x2a n GLU 179 Cb 0.28 -1.34 -0.02 0.00 -0.06 0.00 0.00 31.44 30.29 1x2a n GLU 179 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1x2a s ALA 180 N -1.47 3.25 0.91 4.31 0.00 -0.94 -5.01 121.76 122.82 1x2a s ALA 180 Ca 0.29 -0.40 -0.12 0.00 0.00 0.00 0.00 51.96 51.73 1x2a s ALA 180 Cb 0.15 -3.81 0.14 0.00 0.00 0.00 0.00 23.12 19.60 1x2a s ALA 180 CO 0.20 -2.04 1.10 -0.65 0.00 0.00 0.00 175.76 174.37 1x2a s GLN 181 N 4.17 1.12 0.32 0.00 -1.52 -1.26 -4.94 119.66 117.55 1x2a s GLN 181 Ca 0.46 0.65 -0.29 0.00 -1.95 0.00 0.00 55.36 54.23 1x2a s GLN 181 Cb -0.09 -1.81 -0.10 0.00 -0.22 0.00 0.00 33.01 30.80 1x2a s GLN 181 CO 0.27 -2.29 1.22 0.00 -0.25 0.00 0.00 175.29 174.24 1x2a s ALA 182 N -3.01 3.44 0.00 6.09 0.00 -1.23 -1.89 121.76 125.16 1x2a s ALA 182 Ca 0.64 1.11 0.00 0.00 0.00 0.00 0.00 51.96 53.71 1x2a s ALA 182 Cb -0.17 -3.42 0.00 0.00 0.00 0.00 0.00 23.12 19.53 1x2a s ALA 182 CO 0.56 -0.46 0.00 0.41 0.00 0.00 0.00 175.76 176.27 1x2a n GLY 183 N 0.93 2.70 3.79 0.00 0.00 -0.46 -4.98 105.19 107.16 1x2a n GLY 183 Ca -0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 1x2a n GLY 183 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1x2a s ASP 184 N -1.44 6.95 -0.06 1.61 1.01 -0.79 -4.57 116.67 119.39 1x2a s ASP 184 Ca 0.00 1.91 -0.16 0.00 0.71 0.00 0.00 52.55 55.01 1x2a s ASP 184 Cb 0.00 -2.57 -0.05 0.00 1.01 0.00 0.00 42.92 41.31 1x2a s ASP 184 CO 0.00 -0.35 0.41 -0.69 0.21 0.00 0.00 175.17 174.75 1x2a s VAL 185 N -1.76 5.11 -0.16 -1.27 1.01 -0.57 -1.25 120.40 121.51 1x2a s VAL 185 Ca 0.57 0.83 0.02 0.00 0.00 0.00 0.00 61.98 63.39 1x2a s VAL 185 Cb -0.18 -3.73 0.01 0.00 0.00 0.00 0.00 36.38 32.48 1x2a s VAL 185 CO 0.23 0.48 -0.20 -0.69 0.00 0.00 0.00 175.10 174.92 1x2a s VAL 186 N -0.36 2.15 -0.08 2.92 1.01 -0.73 0.08 120.40 125.39 1x2a s VAL 186 Ca 0.23 -0.93 -0.22 0.00 0.00 0.00 0.00 61.98 61.06 1x2a s VAL 186 Cb -0.16 -1.88 -0.04 0.00 0.00 0.00 0.00 36.38 34.30 1x2a s VAL 186 CO 0.11 0.54 0.62 -0.22 0.00 0.00 0.00 175.10 176.15 1x2a s LEU 187 N 1.03 4.31 0.04 3.92 1.98 0.53 -1.40 118.68 129.09 1x2a s LEU 187 Ca -0.02 1.06 0.06 0.00 -2.89 0.00 0.00 54.13 52.34 1x2a s LEU 187 Cb -0.14 -2.95 -0.02 0.00 0.66 0.00 0.00 46.19 43.73 1x2a s LEU 187 CO -0.06 -0.07 -0.16 -0.36 -1.89 0.00 0.00 176.35 173.81 1x2a s PHE 188 N 0.71 1.41 -0.14 5.38 0.08 -0.34 -4.53 117.98 120.55 1x2a s PHE 188 Ca 0.33 -0.35 -0.19 0.00 0.12 0.00 0.00 56.93 56.84 1x2a s PHE 188 Cb -0.17 -0.84 -0.04 0.00 -0.57 0.00 0.00 43.02 41.40 1x2a s PHE 188 CO 0.16 0.05 0.53 -1.01 -0.10 0.00 0.00 175.22 174.84 1x2a s HIS 189 N -0.80 3.46 0.19 0.36 3.76 -1.26 -0.62 115.29 120.38 1x2a s HIS 189 Ca 0.04 0.89 -0.13 0.00 -0.15 0.00 0.00 55.06 55.71 1x2a s HIS 189 Cb -0.08 -2.63 0.20 0.00 1.11 0.00 0.00 32.58 31.18 1x2a s HIS 189 CO 0.01 0.05 1.70 0.78 -0.85 0.00 0.00 174.74 176.43 1x2a h GLY 190 N 7.22 0.58 -2.83 -2.22 0.00 -1.50 -3.46 103.07 100.86 1x2a h GLY 190 Ca -0.38 0.01 0.17 0.00 0.00 0.00 0.00 47.33 47.13 1x2a h GLY 190 CO 0.75 -0.10 0.54 0.00 0.00 0.00 0.00 176.54 177.72 1x2a n HIS 193 N -3.79 1.33 -3.81 0.00 -0.00 -1.26 -4.73 115.22 102.96 1x2a n HIS 193 Ca -0.13 0.73 -0.36 0.00 0.46 0.00 0.00 57.72 58.42 1x2a n HIS 193 Cb 0.62 -2.28 -0.12 0.00 -0.12 0.00 0.00 29.99 28.10 1x2a n HIS 193 CO 0.00 0.00 0.00 1.21 0.46 0.00 0.00 176.34 178.01 1x2a s ASN 194 N 0.43 5.36 0.00 0.26 3.84 -1.26 0.50 114.94 124.07 1x2a s ASN 194 Ca 0.86 -0.11 0.24 0.00 0.21 0.00 0.00 52.86 54.06 1x2a s ASN 194 Cb -1.03 -1.96 0.36 0.00 -0.55 0.00 0.00 41.25 38.07 1x2a s ASN 194 CO 0.49 0.01 1.36 -0.81 -2.79 0.00 0.00 177.10 175.37 1x2a n PRO 195 N 4.61 2.33 0.11 0.43 -0.04 -1.26 -2.76 135.00 138.42 1x2a n PRO 195 Ca -0.16 -1.96 -0.03 0.00 -0.04 0.00 0.00 63.50 61.30 1x2a n PRO 195 Cb 0.52 -1.48 0.14 0.00 -0.04 0.00 0.00 33.50 32.64 1x2a n PRO 195 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 1x2a h THR 196 N 4.37 1.41 0.00 0.52 1.35 -1.88 -3.30 112.91 115.37 1x2a h THR 196 Ca 0.00 -2.05 0.00 0.00 -0.55 0.00 0.00 66.41 63.81 1x2a h THR 196 Cb 0.94 2.07 0.00 0.00 -1.73 0.00 0.00 68.15 69.43 1x2a h THR 196 CO 0.00 0.60 0.00 0.61 -0.25 0.00 0.00 175.52 176.48 1x2a n GLY 197 N 0.27 0.55 3.39 5.82 0.00 0.18 -4.27 105.19 111.12 1x2a n GLY 197 Ca -0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.64 1x2a n GLY 197 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1x2a s ILE 198 N -2.34 4.02 0.28 -0.61 1.01 -1.26 0.78 121.20 123.09 1x2a s ILE 198 Ca 0.00 -0.39 0.09 0.00 0.00 0.00 0.00 60.65 60.35 1x2a s ILE 198 Cb 0.00 -2.93 -0.04 0.00 0.01 0.00 0.00 42.46 39.50 1x2a s ILE 198 CO 0.00 0.28 0.05 -1.81 0.00 0.00 0.00 174.94 173.46 1x2a s ASP 199 N 1.55 4.71 0.65 3.58 1.01 -1.26 -4.47 116.67 122.45 1x2a s ASP 199 Ca 0.05 -0.61 -0.14 0.00 0.71 0.00 0.00 52.55 52.56 1x2a s ASP 199 Cb -0.16 -0.90 -0.01 0.00 1.01 0.00 0.00 42.92 42.86 1x2a s ASP 199 CO 0.02 -0.06 1.08 -2.84 0.21 0.00 0.00 175.17 173.57 1x2a s PRO 200 N -3.73 2.97 0.82 8.23 0.02 -1.26 -4.98 135.00 137.06 1x2a s PRO 200 Ca 0.33 1.20 -0.12 0.00 0.02 0.00 0.00 61.00 62.43 1x2a s PRO 200 Cb -0.06 -1.98 0.09 0.00 0.02 0.00 0.00 34.50 32.57 1x2a s PRO 200 CO 0.21 -1.09 1.18 0.95 -0.33 0.00 0.00 177.00 177.92 1x2a s THR 201 N -2.59 2.02 0.21 0.99 -4.23 -1.26 -4.79 115.64 105.99 1x2a s THR 201 Ca 0.63 -0.03 -0.10 0.00 -1.18 0.00 0.00 61.69 61.01 1x2a s THR 201 Cb -0.17 -3.00 0.16 0.00 1.34 0.00 0.00 72.50 70.83 1x2a s THR 201 CO 0.44 0.00 1.87 0.25 -0.54 0.00 0.00 174.62 176.64 1x2a h LEU 202 N -1.09 0.88 -0.84 4.79 5.85 -1.99 0.11 115.31 123.02 1x2a h LEU 202 Ca -0.46 -0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.25 1x2a h LEU 202 Cb 1.32 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 42.08 1x2a h LEU 202 CO 0.62 0.65 0.55 1.05 -0.34 0.00 0.00 178.44 180.97 1x2a h GLU 203 N 1.03 1.06 -0.53 1.25 4.11 -1.99 0.32 114.58 119.82 1x2a h GLU 203 Ca 0.27 -0.06 -0.11 0.00 0.07 0.00 0.00 59.36 59.54 1x2a h GLU 203 Cb -0.10 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 28.90 1x2a h GLU 203 CO -0.06 0.70 -0.09 1.96 0.07 0.00 0.00 179.01 181.60 1x2a h GLN 204 N 1.09 0.98 -0.36 1.06 4.20 -1.70 -1.19 115.11 119.20 1x2a h GLN 204 Ca 0.32 -0.34 -0.00 0.00 0.06 0.00 0.00 58.65 58.68 1x2a h GLN 204 Cb -0.07 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 27.62 1x2a h GLN 204 CO -0.09 1.02 0.22 -1.49 -0.67 0.00 0.00 178.83 177.81 1x2a h TRP 205 N 0.88 0.48 -0.93 2.96 -0.00 -0.08 -0.54 115.95 118.71 1x2a h TRP 205 Ca 0.14 -0.00 -0.01 0.00 -0.00 0.00 0.00 58.89 59.02 1x2a h TRP 205 Cb 0.63 -0.16 -0.04 0.00 -0.00 0.00 0.00 29.16 29.59 1x2a h TRP 205 CO 0.04 0.35 0.55 1.96 -0.00 0.00 0.00 178.44 181.34 1x2a h GLN 206 N 0.47 1.27 -0.38 0.49 1.08 -0.72 0.20 115.11 117.51 1x2a h GLN 206 Ca 0.13 -0.12 -0.02 0.00 -1.45 0.00 0.00 58.65 57.19 1x2a h GLN 206 Cb 0.01 -0.26 -0.02 0.00 -0.05 0.00 0.00 27.48 27.16 1x2a h GLN 206 CO -0.02 0.89 0.17 1.15 -0.95 0.00 0.00 178.83 180.07 1x2a h THR 207 N 1.29 1.18 -0.48 -0.54 2.02 -0.76 -1.98 112.91 113.64 1x2a h THR 207 Ca 0.33 -0.52 -0.03 0.00 0.77 0.00 0.00 66.41 66.96 1x2a h THR 207 Cb -0.04 0.82 -0.02 0.00 -1.74 0.00 0.00 68.15 67.16 1x2a h THR 207 CO -0.06 0.19 0.18 -0.07 0.37 0.00 0.00 175.52 176.13 1x2a h LEU 208 N 0.48 0.67 -0.21 2.58 3.38 -0.42 0.12 115.31 121.91 1x2a h LEU 208 Ca 0.13 -0.18 0.05 0.00 0.09 0.00 0.00 57.88 57.97 1x2a h LEU 208 Cb 0.14 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 40.67 1x2a h LEU 208 CO -0.01 0.66 -0.11 0.00 0.09 0.00 0.00 178.44 179.07 1x2a h ALA 209 N 1.03 0.07 -0.21 1.53 0.00 -0.45 0.40 119.26 121.62 1x2a h ALA 209 Ca 0.16 0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1x2a h ALA 209 Cb 0.21 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1x2a h ALA 209 CO -0.01 -0.53 0.14 -0.56 0.00 0.00 0.00 179.25 178.29 1x2a h GLN 210 N -0.09 0.28 -0.73 0.00 -0.00 -1.14 -1.86 115.11 111.58 1x2a h GLN 210 Ca 0.11 -0.02 0.04 0.00 -0.00 0.00 0.00 58.65 58.78 1x2a h GLN 210 Cb 0.26 -0.06 -0.05 0.00 -0.00 0.00 0.00 27.48 27.63 1x2a h GLN 210 CO -0.26 0.20 0.45 1.25 -0.00 0.00 0.00 178.83 180.47 1x2a h LEU 211 N 0.28 0.73 -0.35 0.06 5.85 -0.42 -2.31 115.31 119.16 1x2a h LEU 211 Ca 0.08 0.00 0.03 0.00 0.84 0.00 0.00 57.88 58.83 1x2a h LEU 211 Cb -0.02 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 40.83 1x2a h LEU 211 CO -0.02 0.50 0.15 -1.28 -0.34 0.00 0.00 178.44 177.45 1x2a h SER 212 N 0.87 0.19 -0.37 1.25 0.87 0.25 -1.21 113.55 115.40 1x2a h SER 212 Ca 0.30 0.03 -0.03 0.00 -1.23 0.00 0.00 61.79 60.85 1x2a h SER 212 Cb 0.05 -0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.00 1x2a h SER 212 CO -0.13 0.15 0.10 -0.37 -0.53 0.00 0.00 176.83 176.05 1x2a h VAL 213 N 0.31 1.22 -0.93 2.23 -1.51 -1.06 0.05 116.25 116.56 1x2a h VAL 213 Ca 0.15 -0.74 -0.00 0.00 -1.23 0.00 0.00 66.70 64.88 1x2a h VAL 213 Cb 0.10 1.01 -0.05 0.00 -2.13 0.00 0.00 31.29 30.22 1x2a h VAL 213 CO -0.13 0.25 0.57 -0.33 -1.23 0.00 0.00 177.57 176.70 1x2a h GLU 214 N 0.44 1.25 0.00 5.19 5.08 -1.21 -2.31 114.58 123.02 1x2a h GLU 214 Ca 0.12 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1x2a h GLU 214 Cb 0.29 -0.27 0.00 0.00 0.50 0.00 0.00 28.75 29.27 1x2a h GLU 214 CO -0.00 0.86 -0.18 0.87 -1.00 0.00 0.00 179.01 179.56 1x2a h LYS 215 N 1.27 0.00 -0.15 2.33 1.79 -1.12 -3.48 116.57 117.22 1x2a h LYS 215 Ca 0.33 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.80 1x2a h LYS 215 Cb -0.08 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.57 1x2a h LYS 215 CO -0.06 0.00 0.00 0.41 -1.08 0.00 0.00 179.45 178.72 1x2a n GLY 216 N 1.16 0.64 3.83 3.86 0.00 -0.07 -3.54 105.19 111.07 1x2a n GLY 216 Ca 0.04 -0.75 -0.32 0.00 0.00 0.00 0.00 46.02 44.98 1x2a n GLY 216 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1x2a s TRP 217 N -2.15 3.31 -0.44 1.61 0.51 -0.77 -1.36 118.94 119.66 1x2a s TRP 217 Ca 0.00 1.49 -0.15 0.00 -2.12 0.00 0.00 56.10 55.32 1x2a s TRP 217 Cb 0.00 -2.86 0.04 0.00 -0.81 0.00 0.00 33.47 29.85 1x2a s TRP 217 CO 0.00 -0.55 0.34 -1.17 -0.51 0.00 0.00 176.95 175.06 1x2a s LEU 218 N -4.08 5.33 0.13 2.99 0.20 -0.38 -4.84 118.68 118.02 1x2a s LEU 218 Ca 0.61 -1.10 -0.30 0.00 0.69 0.00 0.00 54.13 54.02 1x2a s LEU 218 Cb -0.12 -2.16 -0.07 0.00 -0.43 0.00 0.00 46.19 43.41 1x2a s LEU 218 CO 0.31 -0.54 1.13 -2.84 -0.29 0.00 0.00 176.35 174.12 1x2a s PRO 219 N 1.66 4.53 -0.18 0.98 0.02 -1.26 -1.77 135.00 138.98 1x2a s PRO 219 Ca 0.04 1.72 0.00 0.00 0.02 0.00 0.00 61.00 62.79 1x2a s PRO 219 Cb -0.21 -3.31 0.04 0.00 0.02 0.00 0.00 34.50 31.03 1x2a s PRO 219 CO 0.08 -0.06 -0.09 -1.17 -0.33 0.00 0.00 177.00 175.44 1x2a s LEU 220 N 0.21 1.89 -0.18 -5.54 2.96 -0.49 -1.23 118.68 116.30 1x2a s LEU 220 Ca 0.53 -0.72 -0.09 0.00 -0.22 0.00 0.00 54.13 53.63 1x2a s LEU 220 Cb -0.29 -1.08 -0.05 0.00 0.50 0.00 0.00 46.19 45.28 1x2a s LEU 220 CO 0.33 -0.15 0.12 -0.36 -1.32 0.00 0.00 176.35 174.97 1x2a s PHE 221 N 1.52 3.43 -0.38 5.38 0.40 0.62 -1.20 117.98 127.75 1x2a s PHE 221 Ca 0.01 0.35 -0.11 0.00 -0.60 0.00 0.00 56.93 56.58 1x2a s PHE 221 Cb -0.15 -2.09 0.03 0.00 0.51 0.00 0.00 43.02 41.32 1x2a s PHE 221 CO -0.08 0.39 0.21 0.34 0.70 0.00 0.00 175.22 176.78 1x2a s ASP 222 N 0.00 5.74 -0.74 1.36 -1.08 0.21 -0.38 116.67 121.78 1x2a s ASP 222 Ca 0.09 -1.03 0.00 0.00 -0.52 0.00 0.00 52.55 51.09 1x2a s ASP 222 Cb -0.11 -2.02 0.18 0.00 -1.46 0.00 0.00 42.92 39.50 1x2a s ASP 222 CO -0.00 -0.40 0.57 0.12 0.52 0.00 0.00 175.17 175.98 1x2a s PHE 223 N 1.55 3.61 -1.63 -5.34 5.36 0.59 -1.16 117.98 120.95 1x2a s PHE 223 Ca 0.02 -3.03 0.19 0.00 -0.96 0.00 0.00 56.93 53.15 1x2a s PHE 223 Cb -0.19 -3.07 -0.02 0.00 -0.34 0.00 0.00 43.02 39.39 1x2a s PHE 223 CO 0.07 -0.72 0.93 0.00 -1.46 0.00 0.00 175.22 174.04 1x2a n ALA 224 N 2.65 3.43 -2.10 11.12 0.00 -1.26 -1.69 120.51 132.66 1x2a n ALA 224 Ca 0.16 -0.58 0.04 0.00 0.00 0.00 0.00 53.44 53.06 1x2a n ALA 224 Cb 0.36 -0.66 0.08 0.00 0.00 0.00 0.00 19.45 19.23 1x2a n ALA 224 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1x2a n TYR 225 N -0.21 0.00 -1.66 0.00 4.01 -1.26 -4.49 117.16 113.55 1x2a n TYR 225 Ca 0.07 -0.75 -0.52 0.00 -0.16 0.00 0.00 57.90 56.54 1x2a n TYR 225 Cb 0.38 -0.17 -0.06 0.00 -0.31 0.00 0.00 39.34 39.19 1x2a n TYR 225 CO 0.00 0.00 0.00 0.94 -0.46 0.00 0.00 176.86 177.34 1x2a n GLN 226 N -0.13 1.55 -0.09 -0.72 7.27 -1.26 -0.79 117.38 123.21 1x2a n GLN 226 Ca 0.10 0.56 0.00 0.00 0.07 0.00 0.00 57.00 57.73 1x2a n GLN 226 Cb 0.94 -2.28 0.00 0.00 2.41 0.00 0.00 30.24 31.30 1x2a n GLN 226 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1x2a n GLY 227 N 3.60 0.51 0.19 1.69 0.00 -1.26 -4.81 105.19 105.12 1x2a n GLY 227 Ca 0.22 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.35 1x2a n GLY 227 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1x2a n PHE 228 N -2.00 0.00 0.00 1.61 3.72 0.03 -4.43 117.46 116.39 1x2a n PHE 228 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 1x2a n PHE 228 Cb 0.00 -0.09 0.00 0.00 -0.94 0.00 0.00 39.48 38.45 1x2a n PHE 228 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1x2a n ALA 229 N -0.92 0.00 -0.01 4.37 0.00 -1.26 -3.83 120.51 118.87 1x2a n ALA 229 Ca 0.08 -0.09 -0.02 0.00 0.00 0.00 0.00 53.44 53.41 1x2a n ALA 229 Cb 0.37 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.81 1x2a n ALA 229 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1x2a n ARG 230 N -1.79 0.04 -3.65 0.00 1.74 -1.26 -4.88 116.66 106.86 1x2a n ARG 230 Ca 0.00 0.02 0.02 0.00 -0.77 0.00 0.00 57.85 57.12 1x2a n ARG 230 Cb 0.00 -0.56 -0.00 0.00 -1.02 0.00 0.00 32.46 30.88 1x2a n ARG 230 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1x2a s GLY 231 N -4.98 -0.40 0.14 -0.13 0.00 -1.26 -4.98 107.32 95.71 1x2a s GLY 231 Ca -0.02 0.66 -0.27 0.00 0.00 0.00 0.00 44.72 45.09 1x2a s GLY 231 CO 0.03 0.66 1.60 1.41 0.00 0.00 0.00 173.10 176.80 1x2a h LEU 233 N 2.00 -1.12 -0.11 0.66 4.07 -1.89 0.18 115.31 119.10 1x2a h LEU 233 Ca -0.30 0.16 -0.08 0.00 0.08 0.00 0.00 57.88 57.74 1x2a h LEU 233 Cb 1.20 0.48 0.00 0.00 1.08 0.00 0.00 40.66 43.42 1x2a h LEU 233 CO 0.29 -0.38 -0.25 -0.33 -1.08 0.00 0.00 178.44 176.69 1x2a h GLU 234 N -0.41 0.37 -0.69 1.13 4.39 -1.97 -3.20 114.58 114.20 1x2a h GLU 234 Ca 0.10 -0.25 0.01 0.00 0.34 0.00 0.00 59.36 59.57 1x2a h GLU 234 Cb 0.57 0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 29.22 1x2a h GLU 234 CO -0.40 0.85 0.45 0.93 -1.16 0.00 0.00 179.01 179.69 1x2a h GLU 235 N -0.07 0.88 0.00 2.33 3.07 -1.91 -1.27 114.58 117.62 1x2a h GLU 235 Ca -0.00 -0.05 0.00 0.00 -0.50 0.00 0.00 59.36 58.81 1x2a h GLU 235 Cb 0.85 -0.20 0.00 0.00 -0.84 0.00 0.00 28.75 28.56 1x2a h GLU 235 CO 0.06 0.59 0.00 -0.44 -1.40 0.00 0.00 179.01 177.81 1x2a h ASP 236 N 0.91 0.00 -0.01 1.42 5.19 -0.71 -2.13 116.42 121.10 1x2a h ASP 236 Ca 0.26 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.67 1x2a h ASP 236 Cb -0.07 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.44 1x2a h ASP 236 CO -0.07 0.00 -0.04 0.00 -3.12 0.00 0.00 179.24 176.01 1x2a n ALA 237 N -1.93 2.60 -0.13 3.45 0.00 -0.49 -4.51 120.51 119.51 1x2a n ALA 237 Ca -0.01 -0.55 -0.05 0.00 0.00 0.00 0.00 53.44 52.83 1x2a n ALA 237 Cb 0.15 -1.00 0.03 0.00 0.00 0.00 0.00 19.45 18.64 1x2a n ALA 237 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1x2a h GLU 238 N 3.25 0.32 0.07 0.00 5.08 -1.30 -1.40 114.58 120.60 1x2a h GLU 238 Ca 0.00 -0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1x2a h GLU 238 Cb 0.72 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.88 1x2a h GLU 238 CO 0.00 0.21 -0.11 0.78 -1.00 0.00 0.00 179.01 178.89 1x2a h GLY 239 N 0.33 -0.19 0.61 -3.84 0.00 -1.82 -0.93 103.07 97.23 1x2a h GLY 239 Ca 0.19 0.13 0.07 0.00 0.00 0.00 0.00 47.33 47.72 1x2a h GLY 239 CO -0.19 -0.12 0.34 -2.00 0.00 0.00 0.00 176.54 174.58 1x2a h LEU 240 N -0.23 0.48 -1.42 3.11 5.85 -1.82 -1.68 115.31 119.60 1x2a h LEU 240 Ca 0.02 0.04 -0.03 0.00 0.84 0.00 0.00 57.88 58.75 1x2a h LEU 240 Cb 0.24 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.22 1x2a h LEU 240 CO -0.06 0.30 -0.16 0.03 -0.34 0.00 0.00 178.44 178.21 1x2a h ARG 241 N 0.62 0.00 -0.06 1.25 3.08 -0.95 -0.99 114.38 117.33 1x2a h ARG 241 Ca 0.30 0.00 -0.18 0.00 0.07 0.00 0.00 59.98 60.18 1x2a h ARG 241 Cb 0.24 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.28 1x2a h ARG 241 CO -0.21 0.16 -0.72 0.00 -1.07 0.00 0.00 179.97 178.13 1x2a h ALA 242 N 1.84 0.65 -0.05 0.04 0.00 -0.24 -2.88 119.26 118.63 1x2a h ALA 242 Ca -0.00 -0.61 -0.06 0.00 0.00 0.00 0.00 54.91 54.24 1x2a h ALA 242 Cb 0.59 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1x2a h ALA 242 CO 0.02 0.78 -0.19 0.74 0.00 0.00 0.00 179.25 180.59 1x2a h PHE 243 N 0.22 0.28 -0.01 0.00 -1.00 -1.01 -3.24 116.94 112.20 1x2a h PHE 243 Ca -0.03 -0.12 0.00 0.00 2.81 0.00 0.00 57.97 60.63 1x2a h PHE 243 Cb 1.28 -0.05 -0.00 0.00 3.61 0.00 0.00 35.95 40.80 1x2a h PHE 243 CO 0.04 0.82 0.02 0.00 -1.61 0.00 0.00 178.31 177.58 1x2a h ALA 244 N 0.40 1.24 0.00 2.45 0.00 -1.24 0.15 119.26 122.27 1x2a h ALA 244 Ca -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1x2a h ALA 244 Cb 0.84 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1x2a h ALA 244 CO 0.04 -0.02 -0.15 0.00 0.00 0.00 0.00 179.25 179.12 1x2a h ALA 245 N 1.97 0.91 0.00 0.00 0.00 -1.53 -3.34 119.26 117.27 1x2a h ALA 245 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1x2a h ALA 245 Cb 0.04 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1x2a h ALA 245 CO -0.00 0.00 -0.51 -1.33 0.00 0.00 0.00 179.25 177.41 1x2a n MET 246 N -2.45 3.73 -3.97 0.00 2.00 -0.16 -5.05 117.12 111.22 1x2a n MET 246 Ca 0.05 -0.01 -0.34 0.00 0.00 0.00 0.00 57.70 57.40 1x2a n MET 246 Cb 0.46 -0.79 -0.06 0.00 0.00 0.00 0.00 33.22 32.83 1x2a n MET 246 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 175.97 174.96 1x2a s HIS 247 N -1.60 3.48 -0.04 2.03 3.76 0.35 -4.96 115.29 118.30 1x2a s HIS 247 Ca 0.00 0.35 -0.21 0.00 -0.15 0.00 0.00 55.06 55.05 1x2a s HIS 247 Cb 0.02 -1.83 -0.32 0.00 1.11 0.00 0.00 32.58 31.56 1x2a s HIS 247 CO 0.09 0.63 0.91 -0.22 -0.85 0.00 0.00 174.74 175.31 1x2a h LYS 248 N 4.17 0.33 -5.54 1.40 1.63 -1.90 -3.46 116.57 113.20 1x2a h LYS 248 Ca -0.50 -0.55 -0.46 0.00 -0.85 0.00 0.00 60.65 58.28 1x2a h LYS 248 Cb 1.19 0.20 -0.23 0.00 -0.60 0.00 0.00 32.23 32.80 1x2a h LYS 248 CO 0.64 1.26 -0.80 -1.21 -3.45 0.00 0.00 179.45 175.90 1x2a s GLU 249 N -2.48 0.96 -0.11 1.90 2.02 -1.26 -2.67 118.70 117.07 1x2a s GLU 249 Ca -0.13 -0.91 -0.32 0.00 0.02 0.00 0.00 54.97 53.63 1x2a s GLU 249 Cb 0.01 -1.03 0.12 0.00 0.10 0.00 0.00 34.13 33.34 1x2a s GLU 249 CO 0.84 0.24 1.05 -0.48 0.02 0.00 0.00 175.26 176.94 1x2a s LEU 250 N -1.48 -0.25 -0.01 1.80 0.05 -0.99 -4.46 118.68 113.33 1x2a s LEU 250 Ca 0.02 0.02 0.04 0.00 0.05 0.00 0.00 54.13 54.26 1x2a s LEU 250 Cb -0.09 1.70 -0.01 0.00 -2.05 0.00 0.00 46.19 45.74 1x2a s LEU 250 CO 0.02 -0.41 -0.14 -0.63 -0.55 0.00 0.00 176.35 174.64 1x2a s ILE 251 N -2.64 1.10 -0.07 1.48 1.01 -0.37 -1.58 121.20 120.13 1x2a s ILE 251 Ca 0.07 -0.59 0.00 0.00 0.00 0.00 0.00 60.65 60.13 1x2a s ILE 251 Cb -0.01 -0.92 0.02 0.00 0.01 0.00 0.00 42.46 41.57 1x2a s ILE 251 CO -0.06 0.31 -0.05 0.54 0.00 0.00 0.00 174.94 175.68 1x2a s VAL 252 N -0.27 0.65 -0.28 2.92 0.11 -0.39 -0.28 120.40 122.85 1x2a s VAL 252 Ca 0.04 -0.12 -0.08 0.00 -2.93 0.00 0.00 61.98 58.89 1x2a s VAL 252 Cb -0.06 -0.70 -0.01 0.00 -1.53 0.00 0.00 36.38 34.08 1x2a s VAL 252 CO -0.00 0.28 0.11 0.00 -3.33 0.00 0.00 175.10 172.16 1x2a s ALA 253 N 1.36 3.20 0.29 1.54 0.00 0.49 -0.19 121.76 128.45 1x2a s ALA 253 Ca -0.03 -1.30 0.12 0.00 0.00 0.00 0.00 51.96 50.74 1x2a s ALA 253 Cb -0.13 -2.23 -0.05 0.00 0.00 0.00 0.00 23.12 20.70 1x2a s ALA 253 CO -0.03 -0.75 -0.18 -1.54 0.00 0.00 0.00 175.76 173.26 1x2a s SER 254 N 1.60 3.62 0.02 0.00 1.04 0.14 -0.30 113.70 119.82 1x2a s SER 254 Ca 0.05 -1.05 0.03 0.00 0.48 0.00 0.00 55.95 55.45 1x2a s SER 254 Cb -0.16 -0.31 -0.02 0.00 0.10 0.00 0.00 66.02 65.63 1x2a s SER 254 CO 0.05 0.00 -0.08 -0.55 0.98 0.00 0.00 173.24 173.64 1x2a s SER 255 N -3.53 0.93 0.00 7.02 0.15 -0.68 -1.42 113.70 116.17 1x2a s SER 255 Ca 0.30 -0.36 0.12 0.00 0.70 0.00 0.00 55.95 56.72 1x2a s SER 255 Cb -0.04 -0.03 0.12 0.00 -1.71 0.00 0.00 66.02 64.36 1x2a s SER 255 CO 0.15 -0.05 0.93 -1.22 1.20 0.00 0.00 173.24 174.25 1x2a n TYR 256 N 2.12 0.06 -0.30 3.44 4.01 -0.16 -4.63 117.16 121.70 1x2a n TYR 256 Ca -0.18 -0.06 0.08 0.00 -0.16 0.00 0.00 57.90 57.58 1x2a n TYR 256 Cb 0.56 -0.00 0.23 0.00 -0.31 0.00 0.00 39.34 39.82 1x2a n TYR 256 CO 0.00 0.00 0.00 0.77 -0.46 0.00 0.00 176.86 177.17 1x2a h SER 257 N 2.37 0.57 0.00 7.72 0.02 -1.83 -2.59 113.55 119.81 1x2a h SER 257 Ca 0.00 0.09 -0.05 0.00 -0.84 0.00 0.00 61.79 60.99 1x2a h SER 257 Cb 0.54 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 63.06 1x2a h SER 257 CO 0.00 0.24 -0.48 0.11 -1.14 0.00 0.00 176.83 175.57 1x2a h LYS 258 N 0.66 0.00 0.00 3.45 6.56 -1.82 -1.56 116.57 123.86 1x2a h LYS 258 Ca 0.47 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 60.06 1x2a h LYS 258 Cb 0.66 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.32 1x2a h LYS 258 CO -0.36 0.37 0.00 0.27 -2.06 0.00 0.00 179.45 177.67 1x2a n ASN 259 N -4.62 0.00 0.00 0.86 2.04 -1.24 -2.34 115.26 109.97 1x2a n ASN 259 Ca -0.11 0.41 0.00 0.00 -0.44 0.00 0.00 54.58 54.44 1x2a n ASN 259 Cb 0.32 -0.45 0.00 0.00 -2.53 0.00 0.00 39.78 37.12 1x2a n ASN 259 CO 0.00 0.00 0.00 0.49 -0.44 0.00 0.00 177.26 177.31 1x2a n PHE 260 N -1.45 0.00 -3.81 -2.53 3.72 -0.98 -4.84 117.46 107.57 1x2a n PHE 260 Ca 0.04 -0.04 -0.28 0.00 -0.05 0.00 0.00 57.45 57.12 1x2a n PHE 260 Cb 0.15 -0.00 0.04 0.00 -0.94 0.00 0.00 39.48 38.73 1x2a n PHE 260 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1x2a n GLY 261 N -0.04 -0.50 1.71 1.37 0.00 -0.99 -4.62 105.19 102.13 1x2a n GLY 261 Ca 0.00 0.21 -0.18 0.00 0.00 0.00 0.00 46.02 46.05 1x2a n GLY 261 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1x2a n LEU 262 N -4.76 5.23 -0.12 0.99 4.77 -0.60 -4.75 117.00 117.75 1x2a n LEU 262 Ca 0.02 -4.18 -0.03 0.00 -0.03 0.00 0.00 56.01 51.78 1x2a n LEU 262 Cb 0.54 -0.63 -0.03 0.00 -2.33 0.00 0.00 43.42 40.98 1x2a n LEU 262 CO 0.72 1.56 0.38 -1.22 -1.33 0.00 0.00 177.39 177.50 1x2a n TYR 263 N -0.96 -0.13 1.50 -1.77 4.01 -1.15 -1.52 117.16 117.14 1x2a n TYR 263 Ca 0.44 0.36 0.12 0.00 -0.16 0.00 0.00 57.90 58.65 1x2a n TYR 263 Cb 0.97 -0.45 0.68 0.00 -0.31 0.00 0.00 39.34 40.23 1x2a n TYR 263 CO 0.00 0.00 0.00 0.27 -0.46 0.00 0.00 176.86 176.67 1x2a n ASN 264 N -3.59 0.00 0.01 7.72 0.23 -1.26 -2.82 115.26 115.55 1x2a n ASN 264 Ca 0.01 -0.78 0.12 0.00 -0.53 0.00 0.00 54.58 53.39 1x2a n ASN 264 Cb 0.07 0.00 0.13 0.00 -2.08 0.00 0.00 39.78 37.91 1x2a n ASN 264 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 1x2a n GLU 265 N -0.98 0.09 -3.08 -3.83 -0.58 -0.58 -5.01 120.64 106.67 1x2a n GLU 265 Ca 0.17 0.01 -0.11 0.00 -0.42 0.00 0.00 57.16 56.81 1x2a n GLU 265 Cb 0.08 -1.54 0.01 0.00 -0.57 0.00 0.00 31.44 29.42 1x2a n GLU 265 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1x2a n ARG 266 N -1.65 -1.93 -4.01 3.49 5.12 -1.13 -4.49 116.66 112.07 1x2a n ARG 266 Ca 0.04 1.73 -0.34 0.00 -1.93 0.00 0.00 57.85 57.36 1x2a n ARG 266 Cb 0.37 -4.98 -0.15 0.00 -1.16 0.00 0.00 32.46 26.54 1x2a n ARG 266 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 1x2a s VAL 267 N -2.62 2.66 0.34 1.55 1.01 -1.26 -2.48 120.40 119.60 1x2a s VAL 267 Ca 0.17 -0.93 -0.09 0.00 0.00 0.00 0.00 61.98 61.13 1x2a s VAL 267 Cb -0.04 -2.26 0.02 0.00 0.00 0.00 0.00 36.38 34.10 1x2a s VAL 267 CO 0.79 0.34 0.58 -0.83 0.00 0.00 0.00 175.10 175.98 1x2a s GLY 268 N 1.33 0.95 -0.13 4.51 0.00 -0.73 -0.99 107.32 112.26 1x2a s GLY 268 Ca 0.02 -1.14 -0.16 0.00 0.00 0.00 0.00 44.72 43.44 1x2a s GLY 268 CO -0.07 -0.70 0.42 0.00 0.00 0.00 0.00 173.10 172.75 1x2a s ALA 269 N -3.00 -1.05 -0.28 3.20 0.00 -0.51 -0.69 121.76 119.43 1x2a s ALA 269 Ca 0.24 1.07 -0.02 0.00 0.00 0.00 0.00 51.96 53.24 1x2a s ALA 269 Cb -0.02 -0.53 0.04 0.00 0.00 0.00 0.00 23.12 22.60 1x2a s ALA 269 CO 0.15 -0.22 -0.02 0.00 0.00 0.00 0.00 175.76 175.68 1x2a s THR 271 N 1.30 4.92 -0.13 0.00 2.01 0.73 -1.53 115.64 122.94 1x2a s THR 271 Ca -0.03 0.02 -0.04 0.00 0.31 0.00 0.00 61.69 61.95 1x2a s THR 271 Cb -0.18 -3.28 -0.03 0.00 0.01 0.00 0.00 72.50 69.01 1x2a s THR 271 CO -0.02 0.37 0.02 -0.22 -0.69 0.00 0.00 174.62 174.08 1x2a s LEU 272 N 1.06 3.67 -0.07 4.42 0.20 0.15 -1.26 118.68 126.85 1x2a s LEU 272 Ca 0.06 0.11 0.02 0.00 0.69 0.00 0.00 54.13 55.01 1x2a s LEU 272 Cb -0.14 -1.88 0.01 0.00 -0.43 0.00 0.00 46.19 43.76 1x2a s LEU 272 CO 0.04 0.29 -0.14 -0.69 -0.29 0.00 0.00 176.35 175.56 1x2a s VAL 273 N -0.32 1.25 0.39 1.68 1.01 -0.61 -1.45 120.40 122.35 1x2a s VAL 273 Ca 0.07 -0.54 0.04 0.00 0.00 0.00 0.00 61.98 61.55 1x2a s VAL 273 Cb -0.12 -1.14 -0.04 0.00 0.00 0.00 0.00 36.38 35.08 1x2a s VAL 273 CO 0.02 0.38 0.08 0.00 0.00 0.00 0.00 175.10 175.58 1x2a s ALA 274 N 0.66 2.90 0.27 5.51 0.00 -0.26 -2.33 121.76 128.50 1x2a s ALA 274 Ca -0.15 -1.46 -0.04 0.00 0.00 0.00 0.00 51.96 50.32 1x2a s ALA 274 Cb -0.16 0.59 0.33 0.00 0.00 0.00 0.00 23.12 23.88 1x2a s ALA 274 CO 0.04 -0.27 1.93 0.00 0.00 0.00 0.00 175.76 177.46 1x2a h ALA 275 N 1.84 1.33 -2.67 0.00 0.00 -1.81 -3.45 119.26 114.50 1x2a h ALA 275 Ca -0.39 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.36 1x2a h ALA 275 Cb 1.27 -0.38 -0.12 0.00 0.00 0.00 0.00 17.79 18.56 1x2a h ALA 275 CO 0.65 0.60 -0.30 0.16 0.00 0.00 0.00 179.25 180.36 1x2a s ASP 276 N -6.13 0.02 0.21 0.00 1.47 -1.26 -4.96 116.67 106.02 1x2a s ASP 276 Ca -0.13 -0.91 -0.09 0.00 1.18 0.00 0.00 52.55 52.60 1x2a s ASP 276 Cb 0.18 0.46 0.29 0.00 -0.34 0.00 0.00 42.92 43.51 1x2a s ASP 276 CO 0.81 -0.93 1.74 -1.28 0.68 0.00 0.00 175.17 176.19 1x2a h SER 277 N 2.49 0.22 -0.89 2.11 0.87 -1.74 -1.70 113.55 114.92 1x2a h SER 277 Ca -0.31 0.08 0.04 0.00 -1.23 0.00 0.00 61.79 60.38 1x2a h SER 277 Cb 1.23 0.06 -0.06 0.00 -0.44 0.00 0.00 62.40 63.20 1x2a h SER 277 CO 0.46 0.13 0.57 -0.08 -0.53 0.00 0.00 176.83 177.38 1x2a h GLU 278 N 0.41 1.05 -0.07 2.24 4.22 -1.95 -0.53 114.58 119.95 1x2a h GLU 278 Ca 0.31 -0.06 -0.08 0.00 0.08 0.00 0.00 59.36 59.61 1x2a h GLU 278 Cb 0.40 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.41 1x2a h GLU 278 CO -0.32 0.70 -0.25 1.15 -2.18 0.00 0.00 179.01 178.11 1x2a h THR 279 N 1.09 1.42 -0.76 0.32 2.02 -1.82 -2.87 112.91 112.30 1x2a h THR 279 Ca 0.37 -1.64 -0.02 0.00 0.77 0.00 0.00 66.41 65.89 1x2a h THR 279 Cb 0.07 2.29 -0.04 0.00 -1.74 0.00 0.00 68.15 68.73 1x2a h THR 279 CO -0.14 0.47 0.39 1.62 0.37 0.00 0.00 175.52 178.23 1x2a h VAL 280 N -0.20 1.23 -0.48 3.16 3.04 -1.16 -1.10 116.25 120.75 1x2a h VAL 280 Ca -0.01 -0.62 -0.03 0.00 -1.01 0.00 0.00 66.70 65.03 1x2a h VAL 280 Cb 0.88 0.23 -0.02 0.00 -2.01 0.00 0.00 31.29 30.37 1x2a h VAL 280 CO 0.05 0.27 0.18 0.44 -1.01 0.00 0.00 177.57 177.51 1x2a h ASP 281 N 1.07 0.67 -0.06 3.17 5.19 -1.15 0.16 116.42 125.47 1x2a h ASP 281 Ca 0.27 -0.18 -0.00 0.00 -0.62 0.00 0.00 57.03 56.50 1x2a h ASP 281 Cb 0.07 -0.17 -0.00 0.00 0.18 0.00 0.00 39.33 39.40 1x2a h ASP 281 CO -0.04 0.66 0.02 -0.09 -3.12 0.00 0.00 179.24 176.68 1x2a h ARG 282 N 0.64 0.10 -0.21 3.56 2.43 -1.20 -2.54 114.38 117.15 1x2a h ARG 282 Ca 0.16 -0.02 -0.07 0.00 -0.81 0.00 0.00 59.98 59.24 1x2a h ARG 282 Cb 0.21 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.73 1x2a h ARG 282 CO -0.01 0.26 -0.17 0.00 -1.51 0.00 0.00 179.97 178.54 1x2a h ALA 283 N 0.83 1.33 -0.21 2.80 0.00 -1.15 -2.71 119.26 120.14 1x2a h ALA 283 Ca 0.02 -0.26 -0.07 0.00 0.00 0.00 0.00 54.91 54.60 1x2a h ALA 283 Cb 0.20 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1x2a h ALA 283 CO -0.00 0.45 -0.16 0.35 0.00 0.00 0.00 179.25 179.89 1x2a h PHE 284 N 0.33 0.38 -0.16 0.00 3.57 -0.79 -1.93 116.94 118.34 1x2a h PHE 284 Ca 0.06 -0.06 -0.04 0.00 3.53 0.00 0.00 57.97 61.47 1x2a h PHE 284 Cb 0.49 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.12 1x2a h PHE 284 CO 0.01 0.51 -0.08 0.66 -2.23 0.00 0.00 178.31 177.18 1x2a h SER 285 N 0.33 0.22 0.86 0.41 4.64 -1.12 0.99 113.55 119.88 1x2a h SER 285 Ca 0.06 -0.04 -0.15 0.00 -0.47 0.00 0.00 61.79 61.20 1x2a h SER 285 Cb 0.48 -0.06 -0.02 0.00 -0.31 0.00 0.00 62.40 62.49 1x2a h SER 285 CO 0.03 0.33 -0.70 1.56 -0.87 0.00 0.00 176.83 177.18 1x2a h GLN 286 N 0.23 0.00 -0.38 4.77 1.08 -1.40 -2.21 115.11 117.20 1x2a h GLN 286 Ca 0.05 0.00 -0.16 0.00 -1.45 0.00 0.00 58.65 57.09 1x2a h GLN 286 Cb 0.29 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.71 1x2a h GLN 286 CO 0.01 0.70 -0.38 1.98 -0.95 0.00 0.00 178.83 180.20 1x2a h MET 287 N 0.00 0.92 -0.40 1.46 4.05 -0.48 -2.05 114.93 118.42 1x2a h MET 287 Ca -0.01 -0.49 -0.04 0.00 -0.28 0.00 0.00 59.70 58.88 1x2a h MET 287 Cb 1.32 0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 32.12 1x2a h MET 287 CO 0.09 1.14 0.07 0.87 0.23 0.00 0.00 176.91 179.31 1x2a h LYS 288 N 0.73 0.61 -0.74 0.39 1.57 -0.76 -1.50 116.57 116.87 1x2a h LYS 288 Ca 0.06 -0.11 -0.03 0.00 -1.87 0.00 0.00 60.65 58.69 1x2a h LYS 288 Cb 0.97 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 33.15 1x2a h LYS 288 CO 0.09 0.58 0.34 0.00 -0.57 0.00 0.00 179.45 179.89 1x2a h ALA 289 N 1.49 0.95 -0.69 3.86 0.00 -1.09 -0.07 119.26 123.71 1x2a h ALA 289 Ca 0.13 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 1x2a h ALA 289 Cb 0.27 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 1x2a h ALA 289 CO 0.00 0.53 0.24 0.00 0.00 0.00 0.00 179.25 180.03 1x2a h ALA 290 N 1.17 1.13 -0.41 0.00 0.00 -0.64 -2.41 119.26 118.09 1x2a h ALA 290 Ca 0.25 -0.20 -0.11 0.00 0.00 0.00 0.00 54.91 54.85 1x2a h ALA 290 Cb 0.14 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1x2a h ALA 290 CO -0.03 0.61 -0.19 0.82 0.00 0.00 0.00 179.25 180.46 1x2a h ILE 291 N 1.01 1.28 -0.36 0.00 2.04 -0.74 -3.04 117.51 117.70 1x2a h ILE 291 Ca 0.23 -1.33 0.02 0.00 1.00 0.00 0.00 64.86 64.77 1x2a h ILE 291 Cb 0.24 1.27 -0.02 0.00 -0.74 0.00 0.00 36.82 37.57 1x2a h ILE 291 CO -0.01 0.45 0.24 -0.09 0.00 0.00 0.00 178.15 178.73 1x2a h ARG 292 N 0.66 0.42 -0.01 2.37 9.65 -0.70 -0.99 114.38 125.79 1x2a h ARG 292 Ca 0.09 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.95 1x2a h ARG 292 Cb 0.75 -0.09 0.00 0.00 -1.39 0.00 0.00 29.97 29.24 1x2a h ARG 292 CO 0.06 0.28 -0.06 0.00 2.80 0.00 0.00 179.97 183.05 1x2a n ALA 293 N -2.49 2.70 -0.99 2.80 0.00 -0.94 -3.69 120.51 117.91 1x2a n ALA 293 Ca 0.03 -0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.13 1x2a n ALA 293 Cb 0.10 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.27 1x2a n ALA 293 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1x2a n ASN 294 N -0.49 0.00 -0.14 0.00 2.85 -0.44 -4.92 115.26 112.12 1x2a n ASN 294 Ca 0.18 0.00 0.01 0.00 -0.11 0.00 0.00 54.58 54.66 1x2a n ASN 294 Cb 0.28 -0.00 0.03 0.00 1.24 0.00 0.00 39.78 41.32 1x2a n ASN 294 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1x2a n TYR 295 N -1.34 0.08 0.00 1.20 0.18 -0.88 -5.04 117.16 111.37 1x2a n TYR 295 Ca 0.00 -0.40 0.00 0.00 1.88 0.00 0.00 57.90 59.38 1x2a n TYR 295 Cb 0.00 -0.04 0.00 0.00 -0.38 0.00 0.00 39.34 38.92 1x2a n TYR 295 CO 0.00 0.00 0.00 0.45 -2.08 0.00 0.00 176.86 175.23 1x2a n SER 296 N -0.19 0.00 -3.62 9.48 2.88 -0.80 -4.73 113.62 116.64 1x2a n SER 296 Ca 0.02 0.00 -0.15 0.00 -1.33 0.00 0.00 58.87 57.42 1x2a n SER 296 Cb 0.25 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.64 1x2a n SER 296 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1x2a s ASN 297 N 0.00 -0.42 0.52 -3.46 2.20 -1.26 -4.32 114.94 108.20 1x2a s ASN 297 Ca 0.00 0.29 -0.19 0.00 -0.94 0.00 0.00 52.86 52.03 1x2a s ASN 297 Cb 0.00 0.45 -0.07 0.00 -2.00 0.00 0.00 41.25 39.63 1x2a s ASN 297 CO 0.00 -0.61 1.05 -2.16 -2.94 0.00 0.00 177.10 172.44 1x2a s PRO 298 N -1.78 3.61 0.15 3.55 0.04 -1.26 -5.02 135.00 134.28 1x2a s PRO 298 Ca -0.09 1.34 -0.31 0.00 0.04 0.00 0.00 61.00 61.98 1x2a s PRO 298 Cb -0.02 -2.07 -0.09 0.00 0.04 0.00 0.00 34.50 32.37 1x2a s PRO 298 CO 0.03 -0.59 1.42 -1.25 0.04 0.00 0.00 177.00 176.66 1x2a s PRO 299 N -3.50 4.30 0.00 0.56 0.04 -1.26 -4.81 135.00 130.34 1x2a s PRO 299 Ca 0.67 2.16 -0.20 0.00 0.04 0.00 0.00 61.00 63.67 1x2a s PRO 299 Cb -0.17 -3.20 -0.23 0.00 0.04 0.00 0.00 34.50 30.94 1x2a s PRO 299 CO 0.26 -0.45 1.11 0.00 0.04 0.00 0.00 177.00 177.96 1x2a h ALA 300 N 6.40 0.08 -0.23 8.56 0.00 -1.95 -3.40 119.26 128.73 1x2a h ALA 300 Ca -0.43 -0.55 0.02 0.00 0.00 0.00 0.00 54.91 53.95 1x2a h ALA 300 Cb 1.21 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.99 1x2a h ALA 300 CO 0.85 0.33 -0.23 1.25 0.00 0.00 0.00 179.25 181.45 1x2a h HIS 301 N -0.12 -0.72 -0.19 0.00 -0.00 -1.93 0.27 115.15 112.46 1x2a h HIS 301 Ca -0.07 0.04 0.05 0.00 -0.00 0.00 0.00 60.37 60.40 1x2a h HIS 301 Cb 1.27 0.35 -0.06 0.00 -0.00 0.00 0.00 27.41 28.96 1x2a h HIS 301 CO 0.15 -0.19 -0.19 0.78 -0.00 0.00 0.00 177.93 178.48 1x2a h GLY 302 N -0.12 -0.10 1.43 5.26 0.00 -1.80 -0.87 103.07 106.87 1x2a h GLY 302 Ca 0.04 0.24 -0.00 0.00 0.00 0.00 0.00 47.33 47.60 1x2a h GLY 302 CO -0.28 -0.18 0.34 0.00 0.00 0.00 0.00 176.54 176.42 1x2a h ALA 303 N 0.86 1.54 -0.46 3.60 0.00 -1.70 -1.88 119.26 121.23 1x2a h ALA 303 Ca 0.12 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 1x2a h ALA 303 Cb 0.39 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1x2a h ALA 303 CO -0.32 0.40 0.05 0.77 0.00 0.00 0.00 179.25 180.15 1x2a h SER 304 N 0.77 0.75 -0.05 0.00 0.02 0.32 -0.70 113.55 114.66 1x2a h SER 304 Ca 0.20 -0.28 0.03 0.00 -0.84 0.00 0.00 61.79 60.91 1x2a h SER 304 Cb -0.04 -0.20 -0.04 0.00 0.14 0.00 0.00 62.40 62.26 1x2a h SER 304 CO -0.04 0.84 -0.17 0.58 -1.14 0.00 0.00 176.83 176.90 1x2a h VAL 305 N 0.63 0.58 -0.16 2.27 2.07 -0.63 0.20 116.25 121.21 1x2a h VAL 305 Ca 0.14 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.67 1x2a h VAL 305 Cb 0.43 0.58 -0.02 0.00 -1.52 0.00 0.00 31.29 30.76 1x2a h VAL 305 CO 0.01 0.00 0.05 0.58 0.02 0.00 0.00 177.57 178.23 1x2a h VAL 306 N -0.25 0.95 -0.41 2.57 2.07 -1.14 -0.78 116.25 119.25 1x2a h VAL 306 Ca 0.07 -0.04 -0.01 0.00 0.82 0.00 0.00 66.70 67.54 1x2a h VAL 306 Cb 0.35 0.82 -0.02 0.00 -1.52 0.00 0.00 31.29 30.92 1x2a h VAL 306 CO -0.20 0.02 0.21 0.00 0.02 0.00 0.00 177.57 177.63 1x2a h ALA 307 N 1.10 1.60 -0.01 1.67 0.00 -0.90 -0.67 119.26 122.05 1x2a h ALA 307 Ca 0.07 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1x2a h ALA 307 Cb 0.05 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 1x2a h ALA 307 CO -0.08 0.33 0.00 1.15 0.00 0.00 0.00 179.25 180.65 1x2a h THR 308 N 0.57 1.23 -0.06 0.00 2.02 -0.32 -2.16 112.91 114.18 1x2a h THR 308 Ca 0.15 -0.67 -0.00 0.00 0.77 0.00 0.00 66.41 66.65 1x2a h THR 308 Cb 0.04 1.66 -0.00 0.00 -1.74 0.00 0.00 68.15 68.10 1x2a h THR 308 CO -0.02 0.18 0.03 0.40 0.37 0.00 0.00 175.52 176.47 1x2a h ILE 309 N -0.25 1.14 0.00 3.11 2.04 -0.77 -2.26 117.51 120.51 1x2a h ILE 309 Ca 0.00 -0.42 -0.01 0.00 1.00 0.00 0.00 64.86 65.43 1x2a h ILE 309 Cb 0.29 1.31 -0.00 0.00 -0.74 0.00 0.00 36.82 37.67 1x2a h ILE 309 CO 0.00 0.12 -0.04 -0.07 0.00 0.00 0.00 178.15 178.16 1x2a h LEU 310 N -0.06 0.00 0.00 1.44 4.07 -1.18 -2.86 115.31 116.72 1x2a h LEU 310 Ca 0.02 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 57.96 1x2a h LEU 310 Cb 0.17 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 41.91 1x2a h LEU 310 CO -0.00 0.04 -1.07 -1.20 -1.08 0.00 0.00 178.44 175.13 1x2a n SER 311 N -3.32 0.84 -4.52 -0.43 7.64 -0.81 -4.82 113.62 108.20 1x2a n SER 311 Ca -0.02 0.33 -0.36 0.00 1.01 0.00 0.00 58.87 59.84 1x2a n SER 311 Cb 0.19 0.42 -0.12 0.00 -1.01 0.00 0.00 64.21 63.70 1x2a n SER 311 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 1x2a s ASN 312 N -5.41 5.31 0.42 6.43 3.04 -0.87 -5.00 114.94 118.85 1x2a s ASN 312 Ca -0.01 -0.10 0.12 0.00 0.04 0.00 0.00 52.86 52.91 1x2a s ASN 312 Cb 0.09 -1.93 0.89 0.00 -1.54 0.00 0.00 41.25 38.76 1x2a s ASN 312 CO 0.79 0.05 1.95 0.44 -3.04 0.00 0.00 177.10 177.30 1x2a h ASP 313 N 7.63 0.10 -0.06 -4.21 5.19 -1.88 0.06 116.42 123.26 1x2a h ASP 313 Ca -0.37 -0.02 -0.02 0.00 -0.62 0.00 0.00 57.03 56.00 1x2a h ASP 313 Cb 1.18 -0.03 -0.00 0.00 0.18 0.00 0.00 39.33 40.66 1x2a h ASP 313 CO 0.62 0.28 -0.06 0.00 -3.12 0.00 0.00 179.24 176.96 1x2a h ALA 314 N 1.74 0.08 -0.57 3.45 0.00 -1.94 -1.99 119.26 120.03 1x2a h ALA 314 Ca 0.02 -0.28 -0.10 0.00 0.00 0.00 0.00 54.91 54.55 1x2a h ALA 314 Cb 0.35 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1x2a h ALA 314 CO 0.02 -0.12 -0.04 -0.07 0.00 0.00 0.00 179.25 179.05 1x2a h LEU 315 N -0.31 1.00 -1.41 0.00 4.07 -1.80 -2.63 115.31 114.23 1x2a h LEU 315 Ca 0.01 -0.30 0.00 0.00 0.08 0.00 0.00 57.88 57.68 1x2a h LEU 315 Cb 0.56 -0.27 -0.03 0.00 1.08 0.00 0.00 40.66 42.00 1x2a h LEU 315 CO 0.01 1.08 0.37 -0.09 -1.08 0.00 0.00 178.44 178.73 1x2a h ARG 316 N 0.92 0.77 -0.19 1.13 9.65 -0.90 0.40 114.38 126.16 1x2a h ARG 316 Ca 0.16 -0.05 -0.21 0.00 -1.10 0.00 0.00 59.98 58.78 1x2a h ARG 316 Cb 0.59 -0.17 0.01 0.00 -1.39 0.00 0.00 29.97 29.00 1x2a h ARG 316 CO 0.04 0.52 -0.71 0.00 2.80 0.00 0.00 179.97 182.61 1x2a h ALA 317 N 1.63 0.37 0.97 2.80 0.00 -1.19 -2.13 119.26 121.71 1x2a h ALA 317 Ca 0.21 -0.58 -0.05 0.00 0.00 0.00 0.00 54.91 54.50 1x2a h ALA 317 Cb -0.07 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 17.69 1x2a h ALA 317 CO -0.04 0.69 -0.47 0.82 0.00 0.00 0.00 179.25 180.25 1x2a h ILE 318 N 0.56 0.04 -0.59 0.00 2.04 -1.02 -2.53 117.51 116.01 1x2a h ILE 318 Ca -0.03 -0.01 0.12 0.00 1.00 0.00 0.00 64.86 65.94 1x2a h ILE 318 Cb 1.33 0.04 -0.09 0.00 -0.74 0.00 0.00 36.82 37.36 1x2a h ILE 318 CO 0.15 0.00 0.07 -0.25 0.00 0.00 0.00 178.15 178.12 1x2a h TRP 319 N -1.32 0.10 -0.60 1.37 7.01 -0.99 0.58 115.95 122.09 1x2a h TRP 319 Ca -0.13 0.04 0.09 0.00 2.11 0.00 0.00 58.89 60.99 1x2a h TRP 319 Cb 1.00 0.05 -0.04 0.00 -2.10 0.00 0.00 29.16 28.08 1x2a h TRP 319 CO -0.00 -0.09 0.40 0.93 -2.79 0.00 0.00 178.44 176.89 1x2a h GLU 320 N 0.19 0.45 -0.21 2.65 5.08 -1.33 0.32 114.58 121.73 1x2a h GLU 320 Ca 0.31 -0.03 -0.15 0.00 -1.00 0.00 0.00 59.36 58.50 1x2a h GLU 320 Cb 0.48 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.63 1x2a h GLU 320 CO -0.45 0.30 -0.43 0.37 -1.00 0.00 0.00 179.01 177.80 1x2a h GLN 321 N 0.46 0.67 -0.27 2.33 5.75 -0.48 -1.86 115.11 121.72 1x2a h GLN 321 Ca 0.27 -0.44 -0.05 0.00 -0.15 0.00 0.00 58.65 58.28 1x2a h GLN 321 Cb 0.46 0.06 -0.02 0.00 1.07 0.00 0.00 27.48 29.05 1x2a h GLN 321 CO -0.08 1.06 -0.06 0.93 -2.65 0.00 0.00 178.83 178.03 1x2a h GLU 322 N 0.37 0.42 -0.28 1.69 5.08 -0.22 -0.38 114.58 121.26 1x2a h GLU 322 Ca 0.01 -0.09 -0.14 0.00 -1.00 0.00 0.00 59.36 58.13 1x2a h GLU 322 Cb 1.04 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 30.23 1x2a h GLU 322 CO 0.10 0.50 -0.36 1.25 -1.00 0.00 0.00 179.01 179.49 1x2a h LEU 323 N 0.40 0.80 -0.91 1.33 5.85 -0.91 -2.02 115.31 119.85 1x2a h LEU 323 Ca 0.08 -0.50 -0.00 0.00 0.84 0.00 0.00 57.88 58.31 1x2a h LEU 323 Cb 0.36 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.12 1x2a h LEU 323 CO 0.02 1.14 0.57 0.74 -0.34 0.00 0.00 178.44 180.56 1x2a h THR 324 N 0.48 1.25 -0.38 1.05 2.02 -0.74 -1.17 112.91 115.42 1x2a h THR 324 Ca 0.03 -0.51 -0.10 0.00 0.77 0.00 0.00 66.41 66.61 1x2a h THR 324 Cb 0.95 -0.05 -0.02 0.00 -1.74 0.00 0.00 68.15 67.29 1x2a h THR 324 CO 0.09 0.25 -0.16 0.44 0.37 0.00 0.00 175.52 176.51 1x2a h ASP 325 N 1.25 0.70 -0.31 4.18 3.32 -0.94 -1.22 116.42 123.40 1x2a h ASP 325 Ca 0.33 -0.22 -0.09 0.00 0.02 0.00 0.00 57.03 57.07 1x2a h ASP 325 Cb -0.08 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.27 1x2a h ASP 325 CO -0.06 0.87 -0.14 0.24 -1.72 0.00 0.00 179.24 178.42 1x2a h MET 326 N 0.63 0.65 -0.10 3.56 2.86 -0.79 -1.81 114.93 119.93 1x2a h MET 326 Ca 0.10 -0.28 -0.00 0.00 -2.06 0.00 0.00 59.70 57.46 1x2a h MET 326 Cb 0.62 -0.02 -0.00 0.00 0.06 0.00 0.00 31.60 32.26 1x2a h MET 326 CO 0.04 0.86 0.06 -0.09 1.06 0.00 0.00 176.91 178.85 1x2a h ARG 327 N 0.41 0.13 -0.65 1.72 2.43 -1.09 -2.55 114.38 114.79 1x2a h ARG 327 Ca 0.07 -0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.24 1x2a h ARG 327 Cb 0.66 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 30.15 1x2a h ARG 327 CO 0.04 0.14 0.42 1.96 -1.51 0.00 0.00 179.97 181.03 1x2a h GLN 328 N 0.09 0.84 -0.25 0.20 4.20 -1.18 -2.07 115.11 116.94 1x2a h GLN 328 Ca 0.04 -0.05 -0.05 0.00 0.06 0.00 0.00 58.65 58.65 1x2a h GLN 328 Cb 0.04 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 27.61 1x2a h GLN 328 CO -0.01 0.55 -0.06 -0.09 -0.67 0.00 0.00 178.83 178.55 1x2a h ARG 329 N 0.86 0.39 -0.27 1.46 2.43 -1.21 0.32 114.38 118.36 1x2a h ARG 329 Ca 0.24 -0.09 -0.04 0.00 -0.81 0.00 0.00 59.98 59.28 1x2a h ARG 329 Cb -0.08 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.41 1x2a h ARG 329 CO -0.06 0.47 0.01 0.82 -1.51 0.00 0.00 179.97 179.70 1x2a h ILE 330 N 0.37 1.25 -0.48 1.20 2.04 -1.02 -0.29 117.51 120.59 1x2a h ILE 330 Ca 0.08 -0.89 -0.08 0.00 1.00 0.00 0.00 64.86 64.96 1x2a h ILE 330 Cb 0.35 1.31 -0.02 0.00 -0.74 0.00 0.00 36.82 37.72 1x2a h ILE 330 CO 0.02 0.28 -0.03 1.56 0.00 0.00 0.00 178.15 179.98 1x2a h GLN 331 N 0.26 0.81 -0.38 2.37 4.20 -0.92 -0.83 115.11 120.63 1x2a h GLN 331 Ca 0.08 -0.23 -0.03 0.00 0.06 0.00 0.00 58.65 58.53 1x2a h GLN 331 Cb 0.41 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 28.08 1x2a h GLN 331 CO 0.01 0.83 0.14 -0.09 -0.67 0.00 0.00 178.83 179.05 1x2a h ARG 332 N 0.75 0.58 -0.34 1.46 2.43 -0.76 -2.18 114.38 116.31 1x2a h ARG 332 Ca 0.14 -0.11 -0.01 0.00 -0.81 0.00 0.00 59.98 59.19 1x2a h ARG 332 Cb 0.49 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.93 1x2a h ARG 332 CO 0.02 0.57 0.17 0.52 -1.51 0.00 0.00 179.97 179.74 1x2a h MET 333 N 0.47 0.47 -0.53 0.20 2.86 -0.62 -1.23 114.93 116.54 1x2a h MET 333 Ca 0.13 -0.05 -0.02 0.00 -2.06 0.00 0.00 59.70 57.70 1x2a h MET 333 Cb 0.21 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 31.75 1x2a h MET 333 CO -0.01 0.36 0.27 0.00 1.06 0.00 0.00 176.91 178.59 1x2a h ARG 334 N 0.47 0.76 -0.47 1.72 3.08 -0.53 0.20 114.38 119.61 1x2a h ARG 334 Ca 0.12 -0.11 -0.14 0.00 0.07 0.00 0.00 59.98 59.93 1x2a h ARG 334 Cb 0.05 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 29.95 1x2a h ARG 334 CO -0.02 0.62 -0.24 0.37 -1.07 0.00 0.00 179.97 179.63 1x2a h GLN 335 N 0.72 0.99 -0.62 0.04 5.75 -1.05 -2.53 115.11 118.40 1x2a h GLN 335 Ca 0.18 -0.44 -0.06 0.00 -0.15 0.00 0.00 58.65 58.19 1x2a h GLN 335 Cb 0.10 -0.03 -0.03 0.00 1.07 0.00 0.00 27.48 28.60 1x2a h GLN 335 CO -0.03 1.11 0.17 1.25 -2.65 0.00 0.00 178.83 178.68 1x2a h LEU 336 N 0.84 0.90 0.06 -2.39 5.85 -0.86 -1.10 115.31 118.62 1x2a h LEU 336 Ca 0.10 -0.17 -0.00 0.00 0.84 0.00 0.00 57.88 58.65 1x2a h LEU 336 Cb 0.82 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.62 1x2a h LEU 336 CO 0.07 0.87 -0.03 0.15 -0.34 0.00 0.00 178.44 179.16 1x2a h PHE 337 N 0.93 -0.07 -0.14 1.25 3.57 -0.48 -0.67 116.94 121.32 1x2a h PHE 337 Ca 0.20 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.70 1x2a h PHE 337 Cb 0.31 0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.07 1x2a h PHE 337 CO 0.02 0.02 0.08 0.28 -2.23 0.00 0.00 178.31 176.48 1x2a h VAL 338 N -0.15 1.09 -0.23 1.41 2.07 -1.24 -2.01 116.25 117.19 1x2a h VAL 338 Ca -0.01 -0.24 0.03 0.00 0.82 0.00 0.00 66.70 67.30 1x2a h VAL 338 Cb 0.13 1.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.87 1x2a h VAL 338 CO 0.01 0.08 0.05 0.78 0.02 0.00 0.00 177.57 178.52 1x2a h ASN 339 N 0.13 0.03 -0.15 0.57 2.35 -1.08 -2.65 115.58 114.79 1x2a h ASN 339 Ca 0.05 0.03 -0.05 0.00 -0.55 0.00 0.00 56.30 55.78 1x2a h ASN 339 Cb 0.07 0.04 -0.02 0.00 0.05 0.00 0.00 38.32 38.46 1x2a h ASN 339 CO -0.01 0.05 -0.05 0.74 -1.65 0.00 0.00 177.43 176.51 1x2a h THR 340 N 0.15 1.19 -0.42 2.81 2.02 -1.07 -0.56 112.91 117.04 1x2a h THR 340 Ca 0.10 -0.79 0.02 0.00 0.77 0.00 0.00 66.41 66.51 1x2a h THR 340 Cb 0.09 1.04 -0.03 0.00 -1.74 0.00 0.00 68.15 67.51 1x2a h THR 340 CO -0.13 0.26 0.24 -0.07 0.37 0.00 0.00 175.52 176.20 1x2a h LEU 341 N 0.42 0.39 0.50 2.58 3.38 -1.02 0.13 115.31 121.68 1x2a h LEU 341 Ca 0.09 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 1x2a h LEU 341 Cb 0.35 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.03 1x2a h LEU 341 CO 0.01 0.28 -0.24 1.56 0.09 0.00 0.00 178.44 180.15 1x2a h GLN 342 N 0.49 -0.64 -0.93 1.13 4.20 -1.11 -1.67 115.11 116.58 1x2a h GLN 342 Ca 0.17 0.04 0.21 0.00 0.06 0.00 0.00 58.65 59.13 1x2a h GLN 342 Cb 0.02 0.15 -0.12 0.00 0.30 0.00 0.00 27.48 27.83 1x2a h GLN 342 CO -0.08 -0.40 0.49 0.93 -0.67 0.00 0.00 178.83 179.10 1x2a h GLU 343 N -0.73 0.53 -0.00 1.46 4.39 -0.67 0.66 114.58 120.22 1x2a h GLU 343 Ca -0.07 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.60 1x2a h GLU 343 Cb 0.54 -0.12 0.00 0.00 -0.10 0.00 0.00 28.75 29.07 1x2a h GLU 343 CO 0.11 0.35 0.00 1.63 -1.16 0.00 0.00 179.01 179.95 1x2a n LYS 344 N -4.92 1.04 0.00 2.33 4.01 0.42 -4.91 118.16 116.12 1x2a n LYS 344 Ca 0.22 -0.06 0.00 0.00 -0.51 0.00 0.00 58.31 57.97 1x2a n LYS 344 Cb 0.62 -1.43 0.00 0.00 -0.51 0.00 0.00 35.03 33.71 1x2a n LYS 344 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1x2a n GLY 345 N 0.95 1.42 3.72 0.72 0.00 0.22 -4.97 105.19 107.25 1x2a n GLY 345 Ca 0.21 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.82 1x2a n GLY 345 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x2a s ALA 346 N -2.00 3.24 -0.17 4.61 0.00 -0.65 -4.93 121.76 121.86 1x2a s ALA 346 Ca 0.00 0.38 0.19 0.00 0.00 0.00 0.00 51.96 52.53 1x2a s ALA 346 Cb 0.00 -3.18 -0.08 0.00 0.00 0.00 0.00 23.12 19.87 1x2a s ALA 346 CO 0.00 -0.16 0.92 0.09 0.00 0.00 0.00 175.76 176.61 1x2a n ASN 347 N 3.74 0.86 -4.77 0.00 5.03 -1.26 -4.69 115.26 114.17 1x2a n ASN 347 Ca 0.03 0.36 -0.38 0.00 0.87 0.00 0.00 54.58 55.45 1x2a n ASN 347 Cb 0.51 0.29 -0.04 0.00 -1.02 0.00 0.00 39.78 39.52 1x2a n ASN 347 CO 0.00 0.00 0.00 -0.60 -1.83 0.00 0.00 177.26 174.83 1x2a s ARG 348 N -3.12 4.28 -0.28 3.52 3.52 -1.26 -4.99 118.95 120.62 1x2a s ARG 348 Ca -0.02 1.66 -0.24 0.00 -0.13 0.00 0.00 55.73 57.01 1x2a s ARG 348 Cb 0.09 -2.76 -0.00 0.00 -1.56 0.00 0.00 34.95 30.72 1x2a s ARG 348 CO 0.80 -0.08 0.80 0.34 -0.81 0.00 0.00 175.30 176.35 1x2a s ASP 349 N -1.28 6.72 -0.19 -2.12 -1.08 -1.26 -4.92 116.67 112.55 1x2a s ASP 349 Ca 0.54 0.81 0.16 0.00 -0.52 0.00 0.00 52.55 53.53 1x2a s ASP 349 Cb -0.27 -2.41 0.62 0.00 -1.46 0.00 0.00 42.92 39.39 1x2a s ASP 349 CO 0.34 -0.57 1.52 0.49 0.52 0.00 0.00 175.17 177.47 1x2a n PHE 350 N 6.11 1.28 0.06 -5.34 3.01 -1.26 -4.64 117.46 116.69 1x2a n PHE 350 Ca 0.04 -0.81 0.16 0.00 1.01 0.00 0.00 57.45 57.85 1x2a n PHE 350 Cb 0.48 -0.36 0.65 0.00 -0.01 0.00 0.00 39.48 40.24 1x2a n PHE 350 CO 0.00 0.00 0.00 0.77 1.01 0.00 0.00 176.76 178.54 1x2a h SER 351 N 2.55 0.05 -0.09 4.37 0.02 -1.95 -1.80 113.55 116.69 1x2a h SER 351 Ca 0.00 0.00 0.03 0.00 -0.84 0.00 0.00 61.79 60.98 1x2a h SER 351 Cb 1.58 -0.01 -0.00 0.00 0.14 0.00 0.00 62.40 64.11 1x2a h SER 351 CO 0.29 0.03 0.16 2.19 -1.14 0.00 0.00 176.83 178.37 1x2a h PHE 352 N 0.05 0.00 -0.51 3.45 -5.15 -1.97 -1.94 116.94 110.87 1x2a h PHE 352 Ca 0.19 0.00 0.06 0.00 -0.20 0.00 0.00 57.97 58.01 1x2a h PHE 352 Cb 0.68 0.00 -0.05 0.00 0.22 0.00 0.00 35.95 36.80 1x2a h PHE 352 CO -0.00 0.00 0.23 0.82 -2.00 0.00 0.00 178.31 177.36 1x2a h ILE 353 N 0.00 0.90 -0.05 0.88 1.08 -1.71 -1.54 117.51 117.07 1x2a h ILE 353 Ca 0.04 -0.15 0.02 0.00 -0.39 0.00 0.00 64.86 64.38 1x2a h ILE 353 Cb 0.37 0.42 -0.00 0.00 -3.07 0.00 0.00 36.82 34.54 1x2a h ILE 353 CO -0.00 0.08 0.26 0.40 -0.69 0.00 0.00 178.15 178.20 1x2a h ILE 354 N 0.44 0.08 0.00 -0.67 5.03 -1.56 0.15 117.51 120.98 1x2a h ILE 354 Ca 0.23 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 64.97 1x2a h ILE 354 Cb 0.19 0.75 0.00 0.00 -3.03 0.00 0.00 36.82 34.74 1x2a h ILE 354 CO -0.20 0.00 -0.65 0.29 -0.68 0.00 0.00 178.15 176.91 1x2a n LYS 355 N -3.10 0.12 -2.93 2.37 5.02 -0.58 -4.91 118.16 114.15 1x2a n LYS 355 Ca -0.01 0.02 -0.36 0.00 -2.02 0.00 0.00 58.31 55.94 1x2a n LYS 355 Cb 0.33 -1.56 -0.06 0.00 -0.02 0.00 0.00 35.03 33.71 1x2a n LYS 355 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1x2a s GLN 356 N -3.07 4.37 0.13 1.97 -0.21 0.04 -4.89 119.66 117.99 1x2a s GLN 356 Ca 0.08 1.08 0.03 0.00 0.02 0.00 0.00 55.36 56.58 1x2a s GLN 356 Cb 0.16 -2.73 -0.04 0.00 1.00 0.00 0.00 33.01 31.40 1x2a s GLN 356 CO 0.73 0.28 0.16 -0.80 -2.12 0.00 0.00 175.29 173.54 1x2a s ASN 357 N -1.74 5.80 0.00 5.90 0.02 0.23 -5.01 114.94 120.14 1x2a s ASN 357 Ca 0.49 0.01 0.00 0.00 -1.02 0.00 0.00 52.86 52.34 1x2a s ASN 357 Cb -0.16 -1.61 0.00 0.00 0.02 0.00 0.00 41.25 39.49 1x2a s ASN 357 CO 0.21 0.10 0.00 0.61 0.02 0.00 0.00 177.10 178.04 1x2a n GLY 358 N -0.13 -1.59 0.09 0.66 0.00 -1.25 -4.39 105.19 98.58 1x2a n GLY 358 Ca -0.08 -1.70 -0.13 0.00 0.00 0.00 0.00 46.02 44.12 1x2a n GLY 358 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1x2a h MET 359 N 0.00 0.15 -6.55 1.61 2.86 -1.92 -3.47 114.93 107.61 1x2a h MET 359 Ca 0.00 -0.25 -0.45 0.00 -2.06 0.00 0.00 59.70 56.94 1x2a h MET 359 Cb 0.00 0.09 0.02 0.00 0.06 0.00 0.00 31.60 31.77 1x2a h MET 359 CO 0.00 1.01 -0.19 -0.06 1.06 0.00 0.00 176.91 178.73 1x2a s PHE 360 N -2.65 3.23 -0.10 -0.22 0.08 -1.26 -0.26 117.98 116.79 1x2a s PHE 360 Ca -0.05 0.10 -0.06 0.00 0.12 0.00 0.00 56.93 57.04 1x2a s PHE 360 Cb 0.08 -2.15 0.04 0.00 -0.57 0.00 0.00 43.02 40.42 1x2a s PHE 360 CO 0.84 -0.18 0.25 0.45 -0.10 0.00 0.00 175.22 176.49 1x2a s SER 361 N -4.18 -0.27 -0.65 1.36 0.15 -0.94 -4.63 113.70 104.55 1x2a s SER 361 Ca 0.46 0.52 -0.22 0.00 0.70 0.00 0.00 55.95 57.41 1x2a s SER 361 Cb -0.10 0.43 0.08 0.00 -1.71 0.00 0.00 66.02 64.72 1x2a s SER 361 CO 0.35 -0.15 0.92 0.12 1.20 0.00 0.00 173.24 175.68 1x2a s PHE 362 N 1.02 2.73 0.23 3.44 5.36 -1.24 -1.63 117.98 127.89 1x2a s PHE 362 Ca -0.07 -0.63 -0.07 0.00 -0.96 0.00 0.00 56.93 55.20 1x2a s PHE 362 Cb -0.08 -4.25 0.20 0.00 -0.34 0.00 0.00 43.02 38.55 1x2a s PHE 362 CO -0.07 -1.59 1.82 0.66 -1.46 0.00 0.00 175.22 174.59 1x2a h SER 363 N 9.50 1.11 0.00 6.13 4.64 -1.80 -3.47 113.55 129.66 1x2a h SER 363 Ca -0.29 -0.13 0.00 0.00 -0.47 0.00 0.00 61.79 60.90 1x2a h SER 363 Cb 1.07 -0.28 0.00 0.00 -0.31 0.00 0.00 62.40 62.88 1x2a h SER 363 CO 1.17 0.93 0.00 0.61 -0.87 0.00 0.00 176.83 178.67 1x2a n GLY 364 N -1.01 1.04 3.65 -0.77 0.00 -1.26 -5.07 105.19 101.76 1x2a n GLY 364 Ca 0.08 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.77 1x2a n GLY 364 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1x2a n LEU 365 N 0.00 3.75 -4.98 0.99 4.32 -1.26 -5.01 117.00 114.82 1x2a n LEU 365 Ca 0.00 0.58 -0.21 0.00 -0.02 0.00 0.00 56.01 56.36 1x2a n LEU 365 Cb 0.00 -1.46 0.01 0.00 -1.62 0.00 0.00 43.42 40.35 1x2a n LEU 365 CO 0.00 -1.97 0.22 0.42 -1.22 0.00 0.00 177.39 174.84 1x2a s THR 366 N -2.10 3.64 0.44 -5.08 -4.23 -1.26 -4.45 115.64 102.60 1x2a s THR 366 Ca 0.72 -0.74 0.12 0.00 -1.18 0.00 0.00 61.69 60.60 1x2a s THR 366 Cb -0.29 -3.31 0.29 0.00 1.34 0.00 0.00 72.50 70.53 1x2a s THR 366 CO 0.52 -0.17 2.05 0.07 -0.54 0.00 0.00 174.62 176.55 1x2a h LYS 367 N 0.51 0.36 -0.06 3.99 -0.00 -1.95 0.05 116.57 119.48 1x2a h LYS 367 Ca -0.44 -0.02 -0.01 0.00 -0.00 0.00 0.00 60.65 60.17 1x2a h LYS 367 Cb 1.27 -0.08 -0.00 0.00 -0.00 0.00 0.00 32.23 33.41 1x2a h LYS 367 CO 0.53 0.24 0.00 0.93 -0.00 0.00 0.00 179.45 181.16 1x2a h GLU 368 N 0.37 0.10 -0.64 0.07 3.07 -1.94 -2.47 114.58 113.15 1x2a h GLU 368 Ca 0.17 -0.03 -0.08 0.00 -0.50 0.00 0.00 59.36 58.91 1x2a h GLU 368 Cb 0.20 -0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 28.07 1x2a h GLU 368 CO -0.04 0.37 0.07 1.96 -1.40 0.00 0.00 179.01 179.97 1x2a h GLN 369 N -0.18 1.07 -0.59 2.33 4.20 -1.71 -1.99 115.11 118.24 1x2a h GLN 369 Ca 0.02 -0.30 -0.03 0.00 0.06 0.00 0.00 58.65 58.40 1x2a h GLN 369 Cb 0.32 -0.12 -0.03 0.00 0.30 0.00 0.00 27.48 27.95 1x2a h GLN 369 CO 0.00 1.00 0.24 0.28 -0.67 0.00 0.00 178.83 179.67 1x2a h VAL 370 N 0.99 1.21 0.00 -0.54 2.07 -1.02 -1.13 116.25 117.83 1x2a h VAL 370 Ca 0.19 -0.65 -0.11 0.00 0.82 0.00 0.00 66.70 66.95 1x2a h VAL 370 Cb 0.47 0.51 -0.02 0.00 -1.52 0.00 0.00 31.29 30.73 1x2a h VAL 370 CO 0.02 0.26 -0.52 0.25 0.02 0.00 0.00 177.57 177.60 1x2a h LEU 371 N 0.84 0.00 -0.07 2.57 5.85 -1.12 -2.67 115.31 120.72 1x2a h LEU 371 Ca 0.20 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.86 1x2a h LEU 371 Cb 0.16 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.19 1x2a h LEU 371 CO -0.02 0.52 -0.20 -0.09 -0.34 0.00 0.00 178.44 178.31 1x2a h ARG 372 N 0.00 0.26 -0.87 1.25 2.43 -0.59 -2.43 114.38 114.43 1x2a h ARG 372 Ca -0.01 -0.18 0.13 0.00 -0.81 0.00 0.00 59.98 59.11 1x2a h ARG 372 Cb 0.92 0.03 -0.09 0.00 -0.42 0.00 0.00 29.97 30.41 1x2a h ARG 372 CO 0.07 0.80 0.48 -0.07 -1.51 0.00 0.00 179.97 179.74 1x2a h LEU 373 N -0.23 0.64 0.00 3.80 3.38 -1.17 0.31 115.31 122.04 1x2a h LEU 373 Ca -0.00 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1x2a h LEU 373 Cb 0.81 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.52 1x2a h LEU 373 CO 0.04 0.31 0.00 -1.14 0.09 0.00 0.00 178.44 177.74 1x2a n ARG 374 N -4.79 0.00 0.29 1.13 0.63 -1.01 -0.64 116.66 112.26 1x2a n ARG 374 Ca 0.17 0.49 0.16 0.00 -0.92 0.00 0.00 57.85 57.74 1x2a n ARG 374 Cb 0.38 -1.33 0.84 0.00 0.45 0.00 0.00 32.46 32.80 1x2a n ARG 374 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 1x2a h GLU 375 N 0.00 0.00 0.00 -0.14 5.08 -1.39 0.23 114.58 118.36 1x2a h GLU 375 Ca 0.00 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.06 1x2a h GLU 375 Cb 0.00 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.19 1x2a h GLU 375 CO 0.00 0.06 -2.15 -1.91 -1.00 0.00 0.00 179.01 174.02 1x2a n GLU 376 N -3.42 1.05 0.00 2.33 2.13 0.11 -4.68 120.64 118.16 1x2a n GLU 376 Ca -0.02 0.04 0.00 0.00 0.66 0.00 0.00 57.16 57.84 1x2a n GLU 376 Cb 0.20 -1.42 0.00 0.00 0.27 0.00 0.00 31.44 30.49 1x2a n GLU 376 CO 0.00 0.00 0.00 1.19 -0.41 0.00 0.00 177.13 177.91 1x2a n PHE 377 N -2.78 0.00 -1.96 4.31 3.72 -0.40 -5.01 117.46 115.34 1x2a n PHE 377 Ca -0.30 0.00 -0.16 0.00 -0.05 0.00 0.00 57.45 56.94 1x2a n PHE 377 Cb 0.98 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 39.49 1x2a n PHE 377 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1x2a n GLY 378 N 0.04 0.47 3.50 1.37 0.00 0.81 -4.78 105.19 106.60 1x2a n GLY 378 Ca 0.00 -0.25 -0.37 0.00 0.00 0.00 0.00 46.02 45.39 1x2a n GLY 378 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1x2a s VAL 379 N -2.70 4.69 -0.21 1.61 1.01 -0.20 -0.58 120.40 124.02 1x2a s VAL 379 Ca 0.00 -0.05 -0.09 0.00 0.00 0.00 0.00 61.98 61.84 1x2a s VAL 379 Cb 0.00 -3.21 -0.05 0.00 0.00 0.00 0.00 36.38 33.12 1x2a s VAL 379 CO 0.00 0.30 0.12 -0.31 0.00 0.00 0.00 175.10 175.21 1x2a s TYR 380 N 1.67 3.33 0.17 5.22 1.51 0.14 -2.41 117.35 126.97 1x2a s TYR 380 Ca 0.07 0.21 -0.01 0.00 -1.01 0.00 0.00 57.07 56.33 1x2a s TYR 380 Cb -0.15 -2.18 -0.04 0.00 -0.11 0.00 0.00 41.96 39.47 1x2a s TYR 380 CO 0.06 0.16 0.08 0.00 -1.11 0.00 0.00 175.55 174.74 1x2a s ALA 381 N 0.64 1.07 0.33 3.71 0.00 -1.26 0.63 121.76 126.88 1x2a s ALA 381 Ca 0.07 -1.59 -0.26 0.00 0.00 0.00 0.00 51.96 50.18 1x2a s ALA 381 Cb -0.12 1.02 -0.10 0.00 0.00 0.00 0.00 23.12 23.92 1x2a s ALA 381 CO 0.01 -0.50 0.97 0.08 0.00 0.00 0.00 175.76 176.32 1x2a s VAL 382 N -4.03 4.08 0.41 0.00 1.01 -1.01 -4.87 120.40 116.00 1x2a s VAL 382 Ca 0.30 1.73 0.20 0.00 0.00 0.00 0.00 61.98 64.20 1x2a s VAL 382 Cb 0.07 -3.96 0.20 0.00 0.00 0.00 0.00 36.38 32.69 1x2a s VAL 382 CO 0.06 0.14 1.55 0.00 0.00 0.00 0.00 175.10 176.85 1x2a h ALA 383 N 3.11 1.36 -0.08 5.51 0.00 -1.89 0.73 119.26 127.99 1x2a h ALA 383 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1x2a h ALA 383 Cb 1.20 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1x2a h ALA 383 CO 0.65 -0.36 0.00 -1.13 0.00 0.00 0.00 179.25 178.41 1x2a n SER 384 N -2.50 1.02 0.00 0.00 3.41 -1.26 -4.16 113.62 110.13 1x2a n SER 384 Ca -0.01 -1.54 0.00 0.00 -0.26 0.00 0.00 58.87 57.05 1x2a n SER 384 Cb 0.44 -0.05 0.00 0.00 -0.26 0.00 0.00 64.21 64.33 1x2a n SER 384 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x2a n GLY 385 N 1.02 0.78 3.73 5.00 0.00 0.25 -4.80 105.19 111.16 1x2a n GLY 385 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 1x2a n GLY 385 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1x2a s ARG 386 N -0.51 4.41 -0.03 1.61 3.52 -1.23 -2.32 118.95 124.41 1x2a s ARG 386 Ca 0.00 1.98 0.05 0.00 -0.13 0.00 0.00 55.73 57.63 1x2a s ARG 386 Cb 0.00 -3.23 -0.01 0.00 -1.56 0.00 0.00 34.95 30.15 1x2a s ARG 386 CO 0.00 -0.24 -0.17 0.54 -0.81 0.00 0.00 175.30 174.62 1x2a s VAL 387 N 0.33 1.40 -0.63 7.11 0.11 -0.65 -2.39 120.40 125.68 1x2a s VAL 387 Ca 0.57 -0.73 -0.24 0.00 -2.93 0.00 0.00 61.98 58.66 1x2a s VAL 387 Cb -0.35 -1.19 0.05 0.00 -1.53 0.00 0.00 36.38 33.37 1x2a s VAL 387 CO 0.36 0.40 1.01 0.21 -3.33 0.00 0.00 175.10 173.75 1x2a s ASN 388 N -0.15 6.23 0.50 3.54 2.47 -0.60 -2.21 114.94 124.72 1x2a s ASN 388 Ca 0.01 -0.67 0.18 0.00 0.42 0.00 0.00 52.86 52.80 1x2a s ASN 388 Cb -0.09 -2.45 1.23 0.00 -1.45 0.00 0.00 41.25 38.49 1x2a s ASN 388 CO 0.01 -1.43 2.09 0.58 -3.72 0.00 0.00 177.10 174.63 1x2a h VAL 389 N 6.00 0.97 0.00 -5.21 2.07 -0.96 -0.56 116.25 118.57 1x2a h VAL 389 Ca -0.28 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 66.95 1x2a h VAL 389 Cb 1.07 1.16 0.00 0.00 -1.52 0.00 0.00 31.29 32.00 1x2a h VAL 389 CO 1.17 0.08 0.00 0.00 0.02 0.00 0.00 177.57 178.84 1x2a n ALA 390 N -2.48 1.69 1.04 1.67 0.00 -1.21 -2.02 120.51 119.19 1x2a n ALA 390 Ca -0.03 -0.05 0.11 0.00 0.00 0.00 0.00 53.44 53.47 1x2a n ALA 390 Cb 0.16 -1.22 0.05 0.00 0.00 0.00 0.00 19.45 18.44 1x2a n ALA 390 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1x2a n GLY 391 N -0.09 -0.62 3.78 0.00 0.00 -0.22 -2.69 105.19 105.34 1x2a n GLY 391 Ca 0.05 -0.55 -0.39 0.00 0.00 0.00 0.00 46.02 45.13 1x2a n GLY 391 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1x2a s MET 392 N -2.74 4.57 0.22 1.61 -1.94 -0.86 -4.97 119.30 115.19 1x2a s MET 392 Ca 0.15 1.18 0.03 0.00 -1.71 0.00 0.00 55.69 55.33 1x2a s MET 392 Cb 0.17 -3.20 -0.05 0.00 2.01 0.00 0.00 34.83 33.76 1x2a s MET 392 CO 0.69 0.53 0.02 0.95 -0.01 0.00 0.00 175.02 177.20 1x2a s THR 393 N -1.22 0.84 0.62 2.05 -4.23 -1.26 -4.96 115.64 107.49 1x2a s THR 393 Ca 0.38 -2.01 0.35 0.00 -1.18 0.00 0.00 61.69 59.22 1x2a s THR 393 Cb -0.23 -2.33 0.38 0.00 1.34 0.00 0.00 72.50 71.67 1x2a s THR 393 CO 0.26 -0.31 2.24 -0.65 -0.54 0.00 0.00 174.62 175.62 1x2a h PRO 394 N 2.52 0.00 0.00 3.99 0.11 -1.96 -0.81 132.00 135.84 1x2a h PRO 394 Ca -0.38 0.00 -0.17 0.00 0.11 0.00 0.00 66.00 65.56 1x2a h PRO 394 Cb 1.22 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.30 1x2a h PRO 394 CO 0.63 0.00 -1.21 -0.44 -0.21 0.00 0.00 178.00 176.77 1x2a h ASP 395 N 0.00 0.00 -0.01 -2.05 3.32 -1.95 -3.37 116.42 112.36 1x2a h ASP 395 Ca 0.02 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.07 1x2a h ASP 395 Cb 0.14 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.69 1x2a h ASP 395 CO -0.00 0.65 -0.34 -0.46 -1.72 0.00 0.00 179.24 177.36 1x2a n ASN 396 N -3.02 1.36 -0.14 6.45 0.23 -0.98 -4.63 115.26 114.52 1x2a n ASN 396 Ca -0.07 -1.18 -0.04 0.00 -0.53 0.00 0.00 54.58 52.76 1x2a n ASN 396 Cb 0.85 0.55 0.05 0.00 -2.08 0.00 0.00 39.78 39.14 1x2a n ASN 396 CO 0.00 0.00 0.00 -0.03 -0.93 0.00 0.00 177.26 176.30 1x2a h MET 397 N 1.33 0.29 0.25 -3.83 4.05 -1.33 -0.82 114.93 114.88 1x2a h MET 397 Ca 0.00 -0.02 -0.01 0.00 -0.28 0.00 0.00 59.70 59.39 1x2a h MET 397 Cb 0.45 -0.07 0.00 0.00 -0.80 0.00 0.00 31.60 31.19 1x2a h MET 397 CO 0.00 0.19 -0.12 0.00 0.23 0.00 0.00 176.91 177.22 1x2a h ALA 398 N 1.31 -0.33 -0.81 0.39 0.00 -1.82 -0.92 119.26 117.07 1x2a h ALA 398 Ca 0.21 -0.16 0.08 0.00 0.00 0.00 0.00 54.91 55.04 1x2a h ALA 398 Cb 0.23 0.13 -0.07 0.00 0.00 0.00 0.00 17.79 18.08 1x2a h ALA 398 CO -0.23 -0.56 0.47 -1.35 0.00 0.00 0.00 179.25 177.59 1x2a h PRO 399 N -0.59 0.80 0.20 0.00 0.11 -1.82 -1.39 132.00 129.30 1x2a h PRO 399 Ca -0.03 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.02 1x2a h PRO 399 Cb 0.43 -0.18 -0.00 0.00 0.11 0.00 0.00 31.00 31.36 1x2a h PRO 399 CO 0.06 0.53 -0.12 1.25 -0.21 0.00 0.00 178.00 179.50 1x2a h LEU 400 N 0.83 -0.31 -1.30 2.35 6.46 -1.07 -1.85 115.31 120.42 1x2a h LEU 400 Ca 0.38 0.02 -0.07 0.00 -0.12 0.00 0.00 57.88 58.09 1x2a h LEU 400 Cb 0.28 0.09 -0.01 0.00 -0.73 0.00 0.00 40.66 40.30 1x2a h LEU 400 CO -0.22 -0.20 -0.24 0.00 -0.62 0.00 0.00 178.44 177.16 1x2a h GLU 402 N 0.15 0.20 -0.00 0.00 5.08 -1.03 -1.74 114.58 117.24 1x2a h GLU 402 Ca 0.03 -0.09 -0.00 0.00 -1.00 0.00 0.00 59.36 58.29 1x2a h GLU 402 Cb 0.52 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.76 1x2a h GLU 402 CO 0.04 0.57 -0.01 0.00 -1.00 0.00 0.00 179.01 178.61 1x2a h ALA 403 N 1.43 0.01 -0.16 3.43 0.00 -0.69 -2.74 119.26 120.53 1x2a h ALA 403 Ca 0.02 -0.29 0.04 0.00 0.00 0.00 0.00 54.91 54.68 1x2a h ALA 403 Cb 0.77 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.52 1x2a h ALA 403 CO 0.06 -0.21 -0.08 0.82 0.00 0.00 0.00 179.25 179.84 1x2a h ILE 404 N -0.55 0.73 -0.98 0.00 2.04 -1.27 -2.02 117.51 115.46 1x2a h ILE 404 Ca 0.00 0.00 0.14 0.00 1.00 0.00 0.00 64.86 66.00 1x2a h ILE 404 Cb 0.57 0.73 -0.09 0.00 -0.74 0.00 0.00 36.82 37.30 1x2a h ILE 404 CO 0.00 0.00 0.62 0.58 0.00 0.00 0.00 178.15 179.35 1x2a h VAL 405 N -0.07 0.85 0.00 1.67 2.07 -1.38 -0.19 116.25 119.19 1x2a h VAL 405 Ca 0.09 -0.30 -0.01 0.00 0.82 0.00 0.00 66.70 67.30 1x2a h VAL 405 Cb 0.21 -0.10 -0.00 0.00 -1.52 0.00 0.00 31.29 29.88 1x2a h VAL 405 CO -0.21 0.16 -0.06 0.00 0.02 0.00 0.00 177.57 177.48 1x2a h ALA 406 N 1.58 1.09 0.00 1.67 0.00 -1.05 -3.00 119.26 119.55 1x2a h ALA 406 Ca 0.51 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.36 1x2a h ALA 406 Cb 0.65 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1x2a h ALA 406 CO -0.28 0.08 -1.33 0.28 0.00 0.00 0.00 179.25 177.99 1x2a n VAL 408 N -3.29 0.00 0.82 0.00 0.31 -0.14 -5.11 118.33 110.92 1x2a n VAL 408 Ca -0.01 -0.17 0.07 0.00 -0.01 0.00 0.00 64.34 64.22 1x2a n VAL 408 Cb 0.25 0.66 0.39 0.00 -0.91 0.00 0.00 33.84 34.22 1x2a n VAL 408 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69