#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mma n GLY 5 N 0.00 -2.95 3.64 8.31 0.00 -1.26 -4.85 105.19 108.08 3mma n GLY 5 Ca 0.00 -1.27 -0.42 0.00 0.00 0.00 0.00 46.02 44.32 3mma n GLY 5 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3mma s VAL 6 N -3.88 3.11 0.25 1.61 1.01 -1.26 -4.93 120.40 116.31 3mma s VAL 6 Ca 0.00 0.12 -0.30 0.00 0.00 0.00 0.00 61.98 61.81 3mma s VAL 6 Cb 0.00 -3.10 -0.10 0.00 0.00 0.00 0.00 36.38 33.18 3mma s VAL 6 CO 0.00 -0.04 1.44 -0.54 0.00 0.00 0.00 175.10 175.96 3mma s LYS 7 N 5.09 4.27 0.30 2.72 1.02 -1.26 -5.02 119.74 126.85 3mma s LYS 7 Ca 0.90 2.30 0.04 0.00 0.02 0.00 0.00 55.97 59.23 3mma s LYS 7 Cb -0.37 -3.11 -0.03 0.00 -0.52 0.00 0.00 37.83 33.80 3mma s LYS 7 CO 0.38 -0.41 0.19 0.95 -0.92 0.00 0.00 175.35 175.53 3mma s THR 8 N -0.06 0.19 -1.37 2.17 -4.23 -1.26 -4.95 115.64 106.12 3mma s THR 8 Ca 0.59 -2.00 -0.08 0.00 -1.18 0.00 0.00 61.69 59.01 3mma s THR 8 Cb -0.42 -2.49 0.02 0.00 1.34 0.00 0.00 72.50 70.95 3mma s THR 8 CO 0.44 0.00 1.12 0.47 -0.54 0.00 0.00 174.62 176.10 3mma n ASP 9 N -1.04 -5.43 -0.00 3.99 9.92 -1.26 -4.90 116.55 117.84 3mma n ASP 9 Ca 0.03 -0.60 0.04 0.00 -0.53 0.00 0.00 54.79 53.73 3mma n ASP 9 Cb 0.64 -4.82 -0.06 0.00 -0.64 0.00 0.00 41.12 36.24 3mma n ASP 9 CO 0.00 0.00 0.00 2.22 0.13 0.00 0.00 177.20 179.55 3mma n PHE 10 N -4.83 0.00 -2.94 1.24 1.16 -1.26 -5.12 117.46 105.71 3mma n PHE 10 Ca -0.03 0.00 0.02 0.00 -1.87 0.00 0.00 57.45 55.56 3mma n PHE 10 Cb 0.57 -0.16 -0.00 0.00 -1.61 0.00 0.00 39.48 38.28 3mma n PHE 10 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 3mma n GLY 11 N 1.85 -1.95 3.69 4.97 0.00 -1.26 -4.90 105.19 107.59 3mma n GLY 11 Ca -0.01 -1.37 -0.29 0.00 0.00 0.00 0.00 46.02 44.35 3mma n GLY 11 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3mma s PRO 12 N -0.43 0.80 0.74 1.61 0.04 -1.26 -5.02 135.00 131.49 3mma s PRO 12 Ca 0.00 0.68 -0.15 0.00 0.04 0.00 0.00 61.00 61.57 3mma s PRO 12 Cb 0.00 -1.77 0.05 0.00 0.04 0.00 0.00 34.50 32.82 3mma s PRO 12 CO 0.00 -2.52 1.24 -2.14 0.04 0.00 0.00 177.00 173.62 3mma s PRO 13 N -4.93 2.00 -0.22 0.56 0.02 -1.26 -4.94 135.00 126.23 3mma s PRO 13 Ca 0.64 1.86 -0.29 0.00 0.02 0.00 0.00 61.00 63.24 3mma s PRO 13 Cb -0.18 -1.81 -0.02 0.00 0.02 0.00 0.00 34.50 32.51 3mma s PRO 13 CO 0.57 -1.96 1.44 -0.47 -0.33 0.00 0.00 177.00 176.25 3mma s TYR 14 N -1.87 2.44 0.44 6.54 5.04 -1.26 -4.90 117.35 123.78 3mma s TYR 14 Ca 0.77 0.71 0.22 0.00 -2.44 0.00 0.00 57.07 56.32 3mma s TYR 14 Cb -0.32 -3.85 1.19 0.00 0.35 0.00 0.00 41.96 39.33 3mma s TYR 14 CO 0.46 -2.36 1.82 0.27 -1.34 0.00 0.00 175.55 174.39 3mma h PHE 15 N 9.61 0.47 -0.00 4.97 -0.00 -1.98 -1.70 116.94 128.31 3mma h PHE 15 Ca -0.30 0.02 -0.07 0.00 -0.00 0.00 0.00 57.97 57.62 3mma h PHE 15 Cb 1.13 -0.14 -0.01 0.00 -0.00 0.00 0.00 35.95 36.93 3mma h PHE 15 CO 0.88 0.08 -0.32 -0.09 -0.00 0.00 0.00 178.31 178.85 3mma h ARG 16 N 0.31 0.01 0.00 6.09 2.43 -1.99 -0.33 114.38 120.90 3mma h ARG 16 Ca 0.53 -0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.68 3mma h ARG 16 Cb 1.50 -0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 31.05 3mma h ARG 16 CO -0.19 0.33 -0.09 -0.44 -1.51 0.00 0.00 179.97 178.07 3mma h ASP 17 N 0.01 0.00 -0.49 -3.80 3.32 -1.71 -3.17 116.42 110.57 3mma h ASP 17 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3mma h ASP 17 Cb 0.57 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.12 3mma h ASP 17 CO 0.04 0.09 0.00 0.18 -1.72 0.00 0.00 179.24 177.83 3mma n LEU 18 N -3.22 5.01 -4.84 1.55 4.77 -0.14 -4.97 117.00 115.15 3mma n LEU 18 Ca 0.01 -2.86 -0.36 0.00 -0.03 0.00 0.00 56.01 52.77 3mma n LEU 18 Cb 0.36 -0.62 -0.06 0.00 -2.33 0.00 0.00 43.42 40.78 3mma n LEU 18 CO 0.30 0.67 0.19 -0.76 -1.33 0.00 0.00 177.39 176.47 3mma s LEU 19 N -2.59 4.38 0.21 2.23 1.43 -1.15 -4.78 118.68 118.42 3mma s LEU 19 Ca 0.50 1.04 -0.31 0.00 -1.03 0.00 0.00 54.13 54.33 3mma s LEU 19 Cb 0.37 -3.08 -0.10 0.00 0.03 0.00 0.00 46.19 43.41 3mma s LEU 19 CO 0.15 0.17 1.52 -2.28 0.23 0.00 0.00 176.35 176.14 3mma s HIS 20 N -1.36 3.01 0.24 0.29 5.65 -1.26 -4.73 115.29 117.13 3mma s HIS 20 Ca 0.34 0.79 -0.10 0.00 0.25 0.00 0.00 55.06 56.34 3mma s HIS 20 Cb -0.16 -3.91 0.36 0.00 -1.18 0.00 0.00 32.58 27.69 3mma s HIS 20 CO 0.18 -3.16 1.60 -1.35 -0.65 0.00 0.00 174.74 171.36 3mma h PRO 21 N 5.91 0.01 -0.50 2.88 0.11 -1.97 0.50 132.00 138.93 3mma h PRO 21 Ca -0.44 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3mma h PRO 21 Cb 1.21 -0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.29 3mma h PRO 21 CO 0.85 0.00 0.33 0.28 -0.21 0.00 0.00 178.00 179.25 3mma h VAL 22 N 0.01 1.13 -0.18 3.15 2.07 -2.00 -0.78 116.25 119.66 3mma h VAL 22 Ca 0.39 -0.26 -0.18 0.00 0.82 0.00 0.00 66.70 67.47 3mma h VAL 22 Cb 0.61 0.40 0.01 0.00 -1.52 0.00 0.00 31.29 30.79 3mma h VAL 22 CO -0.82 0.13 -0.59 0.40 0.02 0.00 0.00 177.57 176.71 3mma h ILE 23 N 0.69 1.31 -0.56 4.57 2.04 -0.53 -2.68 117.51 122.35 3mma h ILE 23 Ca 0.18 -1.82 -0.03 0.00 1.00 0.00 0.00 64.86 64.20 3mma h ILE 23 Cb -0.07 1.94 -0.03 0.00 -0.74 0.00 0.00 36.82 37.93 3mma h ILE 23 CO -0.04 0.57 0.25 0.00 0.00 0.00 0.00 178.15 178.94 3mma h ALA 24 N 0.56 0.73 -0.39 1.87 0.00 -0.02 -2.26 119.26 119.75 3mma h ALA 24 Ca -0.02 -0.14 -0.10 0.00 0.00 0.00 0.00 54.91 54.64 3mma h ALA 24 Cb 1.22 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 3mma h ALA 24 CO 0.13 0.31 -0.14 -0.22 0.00 0.00 0.00 179.25 179.32 3mma h LYS 25 N 0.76 0.79 -0.67 0.00 3.64 -1.24 -3.20 116.57 116.65 3mma h LYS 25 Ca 0.19 -0.33 -0.01 0.00 -1.27 0.00 0.00 60.65 59.24 3mma h LYS 25 Cb 0.15 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.93 3mma h LYS 25 CO -0.02 0.95 0.01 0.09 -2.27 0.00 0.00 179.45 178.21 3mma n ASN 26 N -4.30 4.82 -4.65 4.20 3.02 -1.01 -4.98 115.26 112.37 3mma n ASN 26 Ca -0.01 -2.77 -0.44 0.00 -0.03 0.00 0.00 54.58 51.33 3mma n ASN 26 Cb 0.39 -0.66 -0.02 0.00 -0.61 0.00 0.00 39.78 38.89 3mma n ASN 26 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3mma n TYR 27 N 0.48 1.85 -1.98 3.10 4.19 -0.86 -2.34 117.16 121.60 3mma n TYR 27 Ca 0.23 0.58 -0.09 0.00 3.31 0.00 0.00 57.90 61.93 3mma n TYR 27 Cb 1.03 -2.36 -0.02 0.00 0.49 0.00 0.00 39.34 38.48 3mma n TYR 27 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 3mma n GLY 28 N 1.42 0.05 2.35 2.98 0.00 -1.26 -4.81 105.19 105.92 3mma n GLY 28 Ca 0.09 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.95 3mma n GLY 28 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3mma n LYS 29 N -2.28 0.94 -4.17 1.61 5.02 -0.99 -5.12 118.16 113.17 3mma n LYS 29 Ca -0.10 -2.91 -0.29 0.00 -2.02 0.00 0.00 58.31 52.99 3mma n LYS 29 Cb 0.47 -1.46 -0.08 0.00 -0.02 0.00 0.00 35.03 33.93 3mma n LYS 29 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 3mma s TRP 30 N -1.43 2.89 -0.17 2.13 0.52 -1.26 -2.15 118.94 119.47 3mma s TRP 30 Ca 0.34 -0.09 -0.13 0.00 0.02 0.00 0.00 56.10 56.24 3mma s TRP 30 Cb 0.31 -1.46 -0.07 0.00 -1.15 0.00 0.00 33.47 31.10 3mma s TRP 30 CO -0.09 0.48 -0.17 1.17 0.02 0.00 0.00 176.95 178.37 3mma n LYS 31 N 0.34 0.50 -3.49 4.98 4.81 0.17 -4.63 118.16 120.83 3mma n LYS 31 Ca -0.11 0.45 -0.10 0.00 -0.87 0.00 0.00 58.31 57.68 3mma n LYS 31 Cb 0.53 -1.63 -0.03 0.00 0.02 0.00 0.00 35.03 33.92 3mma n LYS 31 CO 0.00 0.00 0.00 1.52 1.17 0.00 0.00 177.40 180.09 3mma s TYR 32 N -2.42 -0.43 0.23 5.64 -0.85 -1.19 -5.05 117.35 113.28 3mma s TYR 32 Ca -0.22 0.39 0.08 0.00 -0.52 0.00 0.00 57.07 56.79 3mma s TYR 32 Cb 0.04 0.52 -0.04 0.00 0.38 0.00 0.00 41.96 42.86 3mma s TYR 32 CO 0.34 -0.60 0.10 -3.38 -1.52 0.00 0.00 175.55 170.49 3mma s HIS 33 N -2.81 2.95 -0.14 -3.49 -3.43 -1.26 -2.01 115.29 105.11 3mma s HIS 33 Ca 0.02 -0.13 -0.05 0.00 -0.80 0.00 0.00 55.06 54.09 3mma s HIS 33 Cb -0.01 -1.35 0.07 0.00 -1.43 0.00 0.00 32.58 29.86 3mma s HIS 33 CO -0.07 0.55 0.28 -1.21 -2.00 0.00 0.00 174.74 172.29 3mma s GLU 34 N -3.55 0.17 -0.55 -0.38 2.02 0.99 -4.97 118.70 112.44 3mma s GLU 34 Ca 0.31 0.77 -0.28 0.00 0.02 0.00 0.00 54.97 55.79 3mma s GLU 34 Cb -0.08 -0.00 0.03 0.00 0.10 0.00 0.00 34.13 34.18 3mma s GLU 34 CO 0.22 -0.28 1.17 0.08 0.02 0.00 0.00 175.26 176.47 3mma s VAL 35 N 2.40 4.08 0.00 2.63 1.01 -1.26 0.39 120.40 129.65 3mma s VAL 35 Ca 0.01 0.99 -0.08 0.00 0.00 0.00 0.00 61.98 62.90 3mma s VAL 35 Cb -0.12 -4.69 -0.04 0.00 0.00 0.00 0.00 36.38 31.53 3mma s VAL 35 CO -0.09 -1.24 0.77 0.58 0.00 0.00 0.00 175.10 175.13 3mma h VAL 36 N 6.18 0.00 -4.18 2.92 2.07 -1.67 -3.48 116.25 118.09 3mma h VAL 36 Ca -0.24 -0.10 -0.37 0.00 0.82 0.00 0.00 66.70 66.80 3mma h VAL 36 Cb 1.06 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 30.73 3mma h VAL 36 CO 1.17 0.00 -0.35 2.29 0.02 0.00 0.00 177.57 180.70 3mma n LYS 37 N -3.03 0.39 -2.17 1.57 2.85 -1.24 -5.05 118.16 111.49 3mma n LYS 37 Ca -0.03 -2.49 -0.42 0.00 -1.05 0.00 0.00 58.31 54.32 3mma n LYS 37 Cb 0.11 1.88 -0.03 0.00 -0.65 0.00 0.00 35.03 36.33 3mma n LYS 37 CO 0.00 0.00 0.00 -2.14 -0.05 0.00 0.00 177.40 175.21 3mma s PRO 38 N -3.04 4.31 0.00 -1.58 0.02 -1.26 -2.17 135.00 131.29 3mma s PRO 38 Ca 0.26 2.08 0.00 0.00 0.02 0.00 0.00 61.00 63.36 3mma s PRO 38 Cb 0.01 -3.28 0.00 0.00 0.02 0.00 0.00 34.50 31.25 3mma s PRO 38 CO 0.19 -0.46 0.00 0.41 -0.33 0.00 0.00 177.00 176.81 3mma n GLY 39 N 3.52 1.69 3.13 0.52 0.00 -1.26 -4.33 105.19 108.47 3mma n GLY 39 Ca 0.12 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.81 3mma n GLY 39 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3mma s VAL 40 N -2.34 2.14 -0.09 1.61 1.01 -0.92 -0.22 120.40 121.58 3mma s VAL 40 Ca 0.00 -0.91 0.04 0.00 0.00 0.00 0.00 61.98 61.11 3mma s VAL 40 Cb 0.00 -1.90 -0.00 0.00 0.00 0.00 0.00 36.38 34.48 3mma s VAL 40 CO 0.00 0.53 -0.24 -0.63 0.00 0.00 0.00 175.10 174.76 3mma s ILE 41 N 1.29 2.04 -0.11 2.22 1.01 0.81 -1.61 121.20 126.85 3mma s ILE 41 Ca 0.05 -1.02 -0.06 0.00 0.00 0.00 0.00 60.65 59.62 3mma s ILE 41 Cb -0.13 -1.76 -0.04 0.00 0.01 0.00 0.00 42.46 40.54 3mma s ILE 41 CO -0.12 0.56 0.11 -0.75 0.00 0.00 0.00 174.94 174.74 3mma s LYS 42 N 0.26 3.35 -0.13 2.79 2.20 0.16 0.55 119.74 128.91 3mma s LYS 42 Ca -0.16 -0.19 -0.01 0.00 -0.36 0.00 0.00 55.97 55.25 3mma s LYS 42 Cb -0.17 -3.11 0.03 0.00 -1.51 0.00 0.00 37.83 33.07 3mma s LYS 42 CO 0.08 0.76 -0.05 1.03 -0.36 0.00 0.00 175.35 176.81 3mma s ARG 43 N -1.02 1.34 -0.21 4.03 0.52 0.02 -0.00 118.95 123.63 3mma s ARG 43 Ca 0.15 -0.32 -0.12 0.00 -0.52 0.00 0.00 55.73 54.92 3mma s ARG 43 Cb -0.12 -1.71 -0.05 0.00 0.52 0.00 0.00 34.95 33.60 3mma s ARG 43 CO 0.04 -0.35 0.22 0.08 0.02 0.00 0.00 175.30 175.30 3mma s VAL 44 N 1.72 5.34 0.47 3.52 1.01 -0.85 -1.79 120.40 129.81 3mma s VAL 44 Ca 0.03 0.34 -0.06 0.00 0.00 0.00 0.00 61.98 62.29 3mma s VAL 44 Cb -0.14 -3.55 -0.04 0.00 0.00 0.00 0.00 36.38 32.65 3mma s VAL 44 CO -0.08 0.37 0.78 0.00 0.00 0.00 0.00 175.10 176.17 3mma s ALA 45 N 0.78 3.40 0.49 5.51 0.00 0.02 -0.66 121.76 131.29 3mma s ALA 45 Ca 0.11 -0.47 0.31 0.00 0.00 0.00 0.00 51.96 51.91 3mma s ALA 45 Cb -0.13 -2.60 1.70 0.00 0.00 0.00 0.00 23.12 22.09 3mma s ALA 45 CO 0.03 -0.31 2.17 0.93 0.00 0.00 0.00 175.76 178.58 3mma h GLU 46 N 0.36 0.00 0.00 0.00 5.08 -1.69 0.06 114.58 118.39 3mma h GLU 46 Ca -0.47 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 3mma h GLU 46 Cb 1.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.45 3mma h GLU 46 CO 0.62 0.06 0.00 0.66 -1.00 0.00 0.00 179.01 179.35 3mma h SER 47 N 0.00 0.00 0.00 1.42 4.64 -1.94 -3.47 113.55 114.20 3mma h SER 47 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3mma h SER 47 Cb 0.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.28 3mma h SER 47 CO 0.01 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.58 3mma n GLY 48 N 0.42 0.25 3.77 -0.77 0.00 0.01 -5.08 105.19 103.79 3mma n GLY 48 Ca 0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.64 3mma n GLY 48 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3mma s ASP 49 N -2.08 6.16 -0.13 1.61 1.01 -1.26 -4.68 116.67 117.30 3mma s ASP 49 Ca 0.00 2.74 0.02 0.00 0.71 0.00 0.00 52.55 56.02 3mma s ASP 49 Cb 0.00 -2.64 0.02 0.00 1.01 0.00 0.00 42.92 41.30 3mma s ASP 49 CO 0.00 -0.96 -0.17 -0.69 0.21 0.00 0.00 175.17 173.55 3mma s VAL 50 N -1.24 1.73 -0.02 -1.27 1.01 -1.26 -0.80 120.40 118.55 3mma s VAL 50 Ca 0.58 -0.77 0.05 0.00 0.00 0.00 0.00 61.98 61.84 3mma s VAL 50 Cb -0.40 -1.57 -0.01 0.00 0.00 0.00 0.00 36.38 34.40 3mma s VAL 50 CO 0.51 0.49 -0.16 -0.51 0.00 0.00 0.00 175.10 175.43 3mma s ILE 51 N 1.08 1.29 -0.34 2.22 2.07 -0.74 -4.80 121.20 121.98 3mma s ILE 51 Ca -0.03 -0.68 -0.11 0.00 -1.41 0.00 0.00 60.65 58.42 3mma s ILE 51 Cb -0.14 -1.09 0.01 0.00 0.13 0.00 0.00 42.46 41.37 3mma s ILE 51 CO -0.05 0.37 0.19 -0.31 -1.91 0.00 0.00 174.94 173.23 3mma s TYR 52 N -0.25 3.21 0.01 3.50 1.51 0.20 -0.80 117.35 124.72 3mma s TYR 52 Ca 0.03 -0.73 -0.26 0.00 -1.01 0.00 0.00 57.07 55.11 3mma s TYR 52 Cb -0.08 -2.41 -0.04 0.00 -0.11 0.00 0.00 41.96 39.32 3mma s TYR 52 CO 0.00 -0.54 0.82 0.08 -1.11 0.00 0.00 175.55 174.80 3mma s VAL 53 N 1.60 4.84 -0.17 0.71 1.01 0.19 -0.83 120.40 127.73 3mma s VAL 53 Ca 0.04 1.73 -0.00 0.00 0.00 0.00 0.00 61.98 63.74 3mma s VAL 53 Cb -0.18 -4.17 0.04 0.00 0.00 0.00 0.00 36.38 32.08 3mma s VAL 53 CO 0.07 0.27 -0.06 -0.69 0.00 0.00 0.00 175.10 174.69 3mma s VAL 54 N 0.48 1.19 -0.13 2.92 1.01 -0.28 -0.13 120.40 125.47 3mma s VAL 54 Ca 0.43 -0.71 -0.06 0.00 0.00 0.00 0.00 61.98 61.63 3mma s VAL 54 Cb -0.20 -1.37 -0.04 0.00 0.00 0.00 0.00 36.38 34.77 3mma s VAL 54 CO 0.23 0.11 0.11 -0.60 0.00 0.00 0.00 175.10 174.96 3mma s ARG 55 N 1.59 3.47 0.02 2.72 3.52 0.69 -0.98 118.95 129.98 3mma s ARG 55 Ca 0.00 -0.20 0.03 0.00 -0.13 0.00 0.00 55.73 55.43 3mma s ARG 55 Cb -0.16 -3.14 -0.02 0.00 -1.56 0.00 0.00 34.95 30.07 3mma s ARG 55 CO -0.08 0.69 -0.09 -0.06 -0.81 0.00 0.00 175.30 174.96 3mma s PHE 56 N -0.78 0.75 0.20 5.12 0.40 0.47 -2.20 117.98 121.92 3mma s PHE 56 Ca 0.13 -0.31 -0.30 0.00 -0.60 0.00 0.00 56.93 55.86 3mma s PHE 56 Cb -0.12 -0.45 -0.08 0.00 0.51 0.00 0.00 43.02 42.87 3mma s PHE 56 CO 0.03 -0.03 1.22 0.20 0.70 0.00 0.00 175.22 177.35 3mma s GLY 57 N -0.91 2.65 0.18 4.36 0.00 -0.38 -1.66 107.32 111.58 3mma s GLY 57 Ca -0.02 1.00 0.08 0.00 0.00 0.00 0.00 44.72 45.78 3mma s GLY 57 CO 0.00 1.89 -0.17 -0.51 0.00 0.00 0.00 173.10 174.32 3mma s THR 58 N -0.11 1.81 -2.00 0.90 -4.23 -1.26 -4.12 115.64 106.63 3mma s THR 58 Ca 0.53 -2.04 0.21 0.00 -1.18 0.00 0.00 61.69 59.21 3mma s THR 58 Cb -0.34 -1.93 0.59 0.00 1.34 0.00 0.00 72.50 72.16 3mma s THR 58 CO 0.38 -0.42 1.73 -0.81 -0.54 0.00 0.00 174.62 174.95 3mma n PRO 59 N 0.01 0.88 0.00 3.99 -0.04 -1.26 -4.92 135.00 133.66 3mma n PRO 59 Ca -0.11 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.35 3mma n PRO 59 Cb 0.58 -1.37 0.00 0.00 -0.04 0.00 0.00 33.50 32.68 3mma n PRO 59 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 3mma n ARG 60 N -0.87 0.00 -2.00 0.54 0.63 -1.26 -4.86 116.66 108.84 3mma n ARG 60 Ca 0.16 0.00 -0.43 0.00 -0.92 0.00 0.00 57.85 56.66 3mma n ARG 60 Cb 0.07 0.00 -0.03 0.00 0.45 0.00 0.00 32.46 32.95 3mma n ARG 60 CO 0.00 0.00 0.00 -1.17 -2.51 0.00 0.00 177.63 173.95 3mma s LEU 61 N 0.00 4.12 -0.04 6.15 2.96 -1.26 -5.00 118.68 125.61 3mma s LEU 61 Ca 0.00 2.02 0.05 0.00 -0.22 0.00 0.00 54.13 55.98 3mma s LEU 61 Cb 0.00 -3.53 -0.01 0.00 0.50 0.00 0.00 46.19 43.15 3mma s LEU 61 CO 0.00 -1.12 -0.19 -0.76 -1.32 0.00 0.00 176.35 172.96 3mma s LEU 62 N 4.77 1.97 0.40 -0.68 1.02 -1.26 -5.12 118.68 119.76 3mma s LEU 62 Ca 0.76 -0.38 -0.25 0.00 0.02 0.00 0.00 54.13 54.27 3mma s LEU 62 Cb -0.31 -1.05 -0.09 0.00 0.02 0.00 0.00 46.19 44.77 3mma s LEU 62 CO 0.31 0.19 1.17 -0.55 0.02 0.00 0.00 176.35 177.48 3mma s SER 63 N -0.10 6.55 0.62 2.29 0.15 -1.26 -4.93 113.70 117.02 3mma s SER 63 Ca -0.02 2.35 0.35 0.00 0.70 0.00 0.00 55.95 59.34 3mma s SER 63 Cb -0.11 -2.61 2.03 0.00 -1.71 0.00 0.00 66.02 63.61 3mma s SER 63 CO 0.02 -0.66 2.29 0.16 1.20 0.00 0.00 173.24 176.25 3mma h ILE 64 N 2.36 0.32 0.01 6.45 3.07 -2.00 -0.67 117.51 127.05 3mma h ILE 64 Ca -0.49 -0.05 -0.23 0.00 1.55 0.00 0.00 64.86 65.65 3mma h ILE 64 Cb 1.23 1.03 0.00 0.00 -0.27 0.00 0.00 36.82 38.82 3mma h ILE 64 CO 0.63 0.01 -0.97 1.88 -1.05 0.00 0.00 178.15 178.65 3mma h TYR 65 N 0.00 0.60 0.00 0.16 -1.99 -1.99 -0.34 116.97 113.41 3mma h TYR 65 Ca -0.00 -0.33 0.00 0.00 2.00 0.00 0.00 58.73 60.40 3mma h TYR 65 Cb 0.03 -0.06 0.00 0.00 2.00 0.00 0.00 36.73 38.70 3mma h TYR 65 CO 0.00 1.16 0.00 2.41 -0.00 0.00 0.00 178.16 181.73 3mma n THR 66 N -3.73 0.40 -0.08 -2.88 -1.04 -0.39 -1.57 114.28 105.00 3mma n THR 66 Ca -0.07 0.10 -0.12 0.00 -2.04 0.00 0.00 64.05 61.93 3mma n THR 66 Cb 0.85 -0.71 -0.08 0.00 -1.82 0.00 0.00 70.33 68.57 3mma n THR 66 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 3mma h VAL 67 N 0.00 0.88 -0.88 12.58 2.07 -0.70 -3.23 116.25 126.98 3mma h VAL 67 Ca 0.00 -1.80 0.14 0.00 0.82 0.00 0.00 66.70 65.86 3mma h VAL 67 Cb 0.35 1.81 -0.09 0.00 -1.52 0.00 0.00 31.29 31.83 3mma h VAL 67 CO 0.00 0.30 0.48 0.03 0.02 0.00 0.00 177.57 178.40 3mma h ARG 68 N -1.00 0.67 0.00 1.57 3.08 -1.00 -0.78 114.38 116.92 3mma h ARG 68 Ca -0.10 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 59.88 3mma h ARG 68 Cb 0.79 -0.15 -0.00 0.00 0.08 0.00 0.00 29.97 30.69 3mma h ARG 68 CO -0.06 0.45 -0.16 0.93 -1.07 0.00 0.00 179.97 180.06 3mma h GLU 69 N 0.69 0.00 0.00 0.04 5.08 -1.44 0.40 114.58 119.35 3mma h GLU 69 Ca 0.47 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.66 3mma h GLU 69 Cb 0.63 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.86 3mma h GLU 69 CO -0.34 0.16 -0.83 -0.07 -1.00 0.00 0.00 179.01 176.93 3mma h LEU 70 N 0.00 0.00 -0.40 1.33 3.38 -1.19 -3.09 115.31 115.35 3mma h LEU 70 Ca -0.00 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.79 3mma h LEU 70 Cb 0.39 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 3mma h LEU 70 CO 0.02 0.83 -0.79 0.00 0.09 0.00 0.00 178.44 178.58 3mma h ASP 72 N 0.12 0.57 -0.31 0.00 5.19 -1.06 -1.78 116.42 119.15 3mma h ASP 72 Ca -0.03 -0.07 -0.10 0.00 -0.62 0.00 0.00 57.03 56.21 3mma h ASP 72 Cb 1.38 -0.14 -0.02 0.00 0.18 0.00 0.00 39.33 40.73 3mma h ASP 72 CO 0.12 0.48 -0.15 0.40 -3.12 0.00 0.00 179.24 176.97 3mma h ILE 73 N 0.62 1.26 0.07 0.35 2.04 -1.44 -3.22 117.51 117.19 3mma h ILE 73 Ca 0.17 -1.21 -0.00 0.00 1.00 0.00 0.00 64.86 64.81 3mma h ILE 73 Cb 0.02 1.11 0.00 0.00 -0.74 0.00 0.00 36.82 37.21 3mma h ILE 73 CO -0.03 0.41 -0.03 0.00 0.00 0.00 0.00 178.15 178.50 3mma h ALA 74 N 1.16 -0.10 -1.00 1.87 0.00 -0.75 -2.33 119.26 118.12 3mma h ALA 74 Ca 0.11 -0.11 0.21 0.00 0.00 0.00 0.00 54.91 55.11 3mma h ALA 74 Cb 0.63 0.04 -0.10 0.00 0.00 0.00 0.00 17.79 18.35 3mma h ALA 74 CO 0.04 -0.45 0.62 -0.44 0.00 0.00 0.00 179.25 179.02 3mma h ASP 75 N -0.30 0.69 0.00 0.00 3.32 -1.38 -1.42 116.42 117.33 3mma h ASP 75 Ca -0.01 0.09 0.00 0.00 0.02 0.00 0.00 57.03 57.13 3mma h ASP 75 Cb 0.26 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.78 3mma h ASP 75 CO 0.02 0.22 0.00 1.17 -1.72 0.00 0.00 179.24 178.93 3mma n LYS 76 N -4.72 0.00 0.09 3.56 4.81 -1.04 -3.56 118.16 117.29 3mma n LYS 76 Ca 0.23 0.00 0.07 0.00 -0.87 0.00 0.00 58.31 57.75 3mma n LYS 76 Cb 0.64 -0.37 0.36 0.00 0.02 0.00 0.00 35.03 35.68 3mma n LYS 76 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 3mma n TYR 77 N -0.14 0.44 -2.35 5.64 4.02 -0.90 -3.94 117.16 119.93 3mma n TYR 77 Ca 0.00 0.21 -0.01 0.00 -0.01 0.00 0.00 57.90 58.09 3mma n TYR 77 Cb 0.00 -0.84 -0.00 0.00 -0.02 0.00 0.00 39.34 38.48 3mma n TYR 77 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 3mma n SER 78 N -1.93 -0.01 -2.33 7.72 3.41 -0.63 -4.39 113.62 115.46 3mma n SER 78 Ca 0.00 -2.02 -0.15 0.00 -0.26 0.00 0.00 58.87 56.44 3mma n SER 78 Cb 0.07 0.03 -0.01 0.00 -0.26 0.00 0.00 64.21 64.04 3mma n SER 78 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3mma n ASP 79 N -0.02 -4.52 -0.68 4.04 8.00 -1.07 -1.47 116.55 120.82 3mma n ASP 79 Ca -0.10 0.15 -0.09 0.00 0.71 0.00 0.00 54.79 55.46 3mma n ASP 79 Cb 0.90 -3.84 -0.04 0.00 -0.02 0.00 0.00 41.12 38.13 3mma n ASP 79 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3mma n GLY 80 N -0.82 1.07 3.47 0.44 0.00 -0.67 -4.87 105.19 103.81 3mma n GLY 80 Ca -0.18 -0.63 -0.28 0.00 0.00 0.00 0.00 46.02 44.93 3mma n GLY 80 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3mma s TYR 81 N -2.33 2.44 0.03 1.61 1.51 -0.55 -4.79 117.35 115.27 3mma s TYR 81 Ca 0.00 -0.30 -0.27 0.00 -1.01 0.00 0.00 57.07 55.48 3mma s TYR 81 Cb 0.00 -1.24 0.09 0.00 -0.11 0.00 0.00 41.96 40.71 3mma s TYR 81 CO 0.00 0.46 0.82 -1.17 -1.11 0.00 0.00 175.55 174.55 3mma s LEU 82 N -2.52 -0.42 0.17 -1.29 2.96 -1.26 -4.56 118.68 111.76 3mma s LEU 82 Ca 0.20 0.01 -0.20 0.00 -0.22 0.00 0.00 54.13 53.92 3mma s LEU 82 Cb -0.09 2.17 0.05 0.00 0.50 0.00 0.00 46.19 48.82 3mma s LEU 82 CO 0.11 -0.70 0.55 0.00 -1.32 0.00 0.00 176.35 174.99 3mma s ARG 83 N -3.23 1.29 0.44 1.98 1.70 -1.12 -5.02 118.95 114.99 3mma s ARG 83 Ca 0.04 -0.63 0.07 0.00 -0.47 0.00 0.00 55.73 54.74 3mma s ARG 83 Cb -0.01 0.55 -0.02 0.00 -0.57 0.00 0.00 34.95 34.90 3mma s ARG 83 CO -0.10 -0.55 0.33 -1.58 -1.08 0.00 0.00 175.30 172.32 3mma s TRP 84 N -3.80 2.49 0.37 5.89 0.51 -1.26 -1.42 118.94 121.72 3mma s TRP 84 Ca 0.04 -0.58 0.04 0.00 -2.12 0.00 0.00 56.10 53.48 3mma s TRP 84 Cb -0.01 -2.07 0.04 0.00 -0.81 0.00 0.00 33.47 30.62 3mma s TRP 84 CO -0.10 -0.10 0.33 0.25 -0.51 0.00 0.00 176.95 176.82 3mma n THR 85 N -1.50 0.00 0.63 2.01 -2.24 -0.21 -4.88 114.28 108.08 3mma n THR 85 Ca 0.01 -1.40 0.13 0.00 -2.27 0.00 0.00 64.05 60.52 3mma n THR 85 Cb 0.63 -0.30 0.42 0.00 -2.10 0.00 0.00 70.33 68.98 3mma n THR 85 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3mma n SER 86 N -2.04 0.78 -1.17 3.42 3.41 -1.26 -3.19 113.62 113.56 3mma n SER 86 Ca 0.01 0.58 0.08 0.00 -0.26 0.00 0.00 58.87 59.28 3mma n SER 86 Cb 0.41 -0.79 0.30 0.00 -0.26 0.00 0.00 64.21 63.87 3mma n SER 86 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3mma n ARG 87 N -2.23 3.48 -2.76 4.33 1.74 -1.26 -4.97 116.66 114.98 3mma n ARG 87 Ca 0.05 -2.88 -0.18 0.00 -0.77 0.00 0.00 57.85 54.08 3mma n ARG 87 Cb 0.42 -1.92 0.02 0.00 -1.02 0.00 0.00 32.46 29.96 3mma n ARG 87 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3mma n ASN 88 N -0.05 -5.27 -4.95 0.55 3.02 -1.19 -4.64 115.26 102.73 3mma n ASN 88 Ca 0.23 -0.19 -0.23 0.00 -0.03 0.00 0.00 54.58 54.35 3mma n ASN 88 Cb 0.94 -4.16 0.02 0.00 -0.61 0.00 0.00 39.78 35.97 3mma n ASN 88 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 3mma s ASN 89 N -2.65 5.63 -0.09 6.41 0.02 -1.26 -4.16 114.94 118.84 3mma s ASN 89 Ca 0.20 0.30 0.02 0.00 -1.02 0.00 0.00 52.86 52.36 3mma s ASN 89 Cb -0.09 -1.40 -0.02 0.00 0.02 0.00 0.00 41.25 39.76 3mma s ASN 89 CO 0.24 -0.90 -0.15 0.54 0.02 0.00 0.00 177.10 176.86 3mma s VAL 90 N -2.71 2.96 -0.06 1.60 0.11 -0.66 -1.05 120.40 120.60 3mma s VAL 90 Ca 0.52 -0.73 0.05 0.00 -2.93 0.00 0.00 61.98 58.89 3mma s VAL 90 Cb -0.10 -2.19 -0.00 0.00 -1.53 0.00 0.00 36.38 32.55 3mma s VAL 90 CO 0.40 0.56 -0.21 -1.61 -3.33 0.00 0.00 175.10 170.91 3mma s GLU 91 N -0.19 2.22 0.28 1.54 2.02 -0.51 -0.40 118.70 123.66 3mma s GLU 91 Ca -0.00 -0.75 0.08 0.00 0.02 0.00 0.00 54.97 54.32 3mma s GLU 91 Cb -0.13 -1.86 -0.03 0.00 0.10 0.00 0.00 34.13 32.20 3mma s GLU 91 CO 0.03 0.28 0.20 -0.06 0.02 0.00 0.00 175.26 175.73 3mma s PHE 92 N 0.02 2.98 -0.33 1.61 0.40 -0.15 -2.78 117.98 119.73 3mma s PHE 92 Ca -0.06 -0.19 0.03 0.00 -0.60 0.00 0.00 56.93 56.11 3mma s PHE 92 Cb -0.13 -1.50 0.10 0.00 0.51 0.00 0.00 43.02 42.00 3mma s PHE 92 CO 0.04 0.43 0.05 -0.06 0.70 0.00 0.00 175.22 176.38 3mma s PHE 93 N -2.22 3.44 -0.16 0.36 0.08 -1.26 -1.12 117.98 117.10 3mma s PHE 93 Ca 0.35 -2.80 -0.09 0.00 0.12 0.00 0.00 56.93 54.51 3mma s PHE 93 Cb -0.07 -2.73 -0.05 0.00 -0.57 0.00 0.00 43.02 39.61 3mma s PHE 93 CO 0.25 -0.94 0.14 0.08 -0.10 0.00 0.00 175.22 174.65 3mma s VAL 94 N 1.01 5.44 -0.19 -0.44 1.01 -0.01 -4.37 120.40 122.85 3mma s VAL 94 Ca 0.10 0.22 -0.16 0.00 0.00 0.00 0.00 61.98 62.14 3mma s VAL 94 Cb -0.19 -3.45 -0.12 0.00 0.00 0.00 0.00 36.38 32.62 3mma s VAL 94 CO -0.11 0.52 -0.00 0.35 0.00 0.00 0.00 175.10 175.86 3mma n THR 95 N 2.83 1.49 -2.38 3.92 -2.24 -1.26 -0.63 114.28 116.01 3mma n THR 95 Ca -0.18 0.03 -0.43 0.00 -2.27 0.00 0.00 64.05 61.20 3mma n THR 95 Cb 0.53 -2.16 -0.02 0.00 -2.10 0.00 0.00 70.33 66.58 3mma n THR 95 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3mma s ASP 96 N -6.49 6.45 0.09 3.42 2.15 -1.26 -4.78 116.67 116.25 3mma s ASP 96 Ca -0.25 0.93 0.22 0.00 0.43 0.00 0.00 52.55 53.88 3mma s ASP 96 Cb 0.05 -2.54 0.89 0.00 -0.30 0.00 0.00 42.92 41.02 3mma s ASP 96 CO 0.45 -1.32 1.69 -1.84 -0.17 0.00 0.00 175.17 173.98 3mma n GLU 97 N 7.83 0.09 0.02 4.34 -0.00 -1.26 -2.68 120.64 128.98 3mma n GLU 97 Ca 0.16 0.22 -0.06 0.00 -0.00 0.00 0.00 57.16 57.47 3mma n GLU 97 Cb 0.48 -1.64 0.12 0.00 -0.00 0.00 0.00 31.44 30.40 3mma n GLU 97 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 3mma h SER 98 N 0.00 0.52 -0.18 -1.84 4.64 -2.01 -3.12 113.55 111.57 3mma h SER 98 Ca 0.00 -0.24 0.00 0.00 -0.47 0.00 0.00 61.79 61.08 3mma h SER 98 Cb 0.42 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 62.36 3mma h SER 98 CO 0.00 0.89 0.00 0.29 -0.87 0.00 0.00 176.83 177.14 3mma n LYS 99 N -4.01 2.16 0.04 4.77 4.76 -1.09 -4.21 118.16 120.58 3mma n LYS 99 Ca -0.02 -0.96 -0.13 0.00 -2.87 0.00 0.00 58.31 54.33 3mma n LYS 99 Cb 0.53 -1.70 -0.09 0.00 -1.84 0.00 0.00 35.03 31.93 3mma n LYS 99 CO 0.00 0.00 0.00 0.82 -1.37 0.00 0.00 177.40 176.85 3mma h ILE 100 N 1.24 1.12 -0.40 -0.18 2.04 -1.68 -2.99 117.51 116.65 3mma h ILE 100 Ca 0.00 -1.03 -0.13 0.00 1.00 0.00 0.00 64.86 64.70 3mma h ILE 100 Cb 0.91 1.75 -0.01 0.00 -0.74 0.00 0.00 36.82 38.74 3mma h ILE 100 CO 0.14 0.24 -0.28 0.44 0.00 0.00 0.00 178.15 178.70 3mma h ASP 101 N -0.63 0.94 -0.50 1.72 3.32 -1.84 -2.08 116.42 117.34 3mma h ASP 101 Ca -0.01 -0.43 0.07 0.00 0.02 0.00 0.00 57.03 56.68 3mma h ASP 101 Cb 0.50 -0.26 -0.10 0.00 0.22 0.00 0.00 39.33 39.69 3mma h ASP 101 CO 0.02 1.17 -0.47 0.44 -1.72 0.00 0.00 179.24 178.68 3mma h ASP 102 N 0.71 -1.59 -0.33 6.45 5.19 -1.81 0.83 116.42 125.87 3mma h ASP 102 Ca 0.08 0.24 0.05 0.00 -0.62 0.00 0.00 57.03 56.78 3mma h ASP 102 Cb 0.85 0.70 -0.08 0.00 0.18 0.00 0.00 39.33 40.98 3mma h ASP 102 CO 0.07 -0.36 -0.49 0.25 -3.12 0.00 0.00 179.24 175.60 3mma h LEU 103 N -0.29 -1.59 -1.00 1.55 5.85 -1.35 0.95 115.31 119.43 3mma h LEU 103 Ca 0.14 0.22 0.20 0.00 0.84 0.00 0.00 57.88 59.27 3mma h LEU 103 Cb 0.57 0.66 -0.11 0.00 0.37 0.00 0.00 40.66 42.16 3mma h LEU 103 CO -0.64 -0.41 0.60 0.40 -0.34 0.00 0.00 178.44 178.05 3mma h ILE 104 N -0.41 0.68 0.03 4.05 2.04 -0.58 0.05 117.51 123.36 3mma h ILE 104 Ca 0.09 -0.25 -0.00 0.00 1.00 0.00 0.00 64.86 65.70 3mma h ILE 104 Cb 0.61 -0.11 0.00 0.00 -0.74 0.00 0.00 36.82 36.58 3mma h ILE 104 CO -0.54 0.13 -0.01 0.78 0.00 0.00 0.00 178.15 178.51 3mma h ASN 105 N 0.73 -0.03 -0.63 1.72 4.21 -0.21 -3.03 115.58 118.35 3mma h ASN 105 Ca 0.58 -0.65 0.08 0.00 1.21 0.00 0.00 56.30 57.53 3mma h ASN 105 Cb 0.93 0.01 -0.07 0.00 -1.12 0.00 0.00 38.32 38.07 3mma h ASN 105 CO -0.40 0.66 0.28 -0.08 -1.29 0.00 0.00 177.43 176.60 3mma h GLU 106 N -0.75 0.48 -0.52 0.81 4.81 -0.27 -1.34 114.58 117.80 3mma h GLU 106 Ca -0.00 -0.03 0.09 0.00 -0.13 0.00 0.00 59.36 59.29 3mma h GLU 106 Cb 0.68 -0.11 -0.07 0.00 0.63 0.00 0.00 28.75 29.88 3mma h GLU 106 CO 0.01 0.32 0.12 0.28 -0.73 0.00 0.00 179.01 179.00 3mma h VAL 107 N 0.50 0.72 -0.61 0.32 2.07 -1.10 -0.50 116.25 117.65 3mma h VAL 107 Ca 0.30 -0.09 -0.05 0.00 0.82 0.00 0.00 66.70 67.69 3mma h VAL 107 Cb 0.32 0.44 -0.03 0.00 -1.52 0.00 0.00 31.29 30.50 3mma h VAL 107 CO -0.26 0.05 0.17 1.56 0.02 0.00 0.00 177.57 179.11 3mma h GLN 108 N 0.26 0.92 0.00 1.57 7.50 -1.14 -2.23 115.11 121.99 3mma h GLN 108 Ca 0.26 -0.18 -0.15 0.00 0.50 0.00 0.00 58.65 59.08 3mma h GLN 108 Cb 0.35 -0.14 -0.02 0.00 0.05 0.00 0.00 27.48 27.72 3mma h GLN 108 CO -0.33 0.81 -0.78 1.49 -1.50 0.00 0.00 178.83 178.51 3mma h GLU 109 N 0.89 0.00 0.17 1.46 4.81 -1.03 -2.66 114.58 118.22 3mma h GLU 109 Ca 0.20 0.00 -0.35 0.00 -0.13 0.00 0.00 59.36 59.08 3mma h GLU 109 Cb 0.28 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.66 3mma h GLU 109 CO -0.01 0.65 -1.76 0.00 -0.73 0.00 0.00 179.01 177.16 3mma h ARG 110 N 0.00 0.35 0.00 1.92 3.08 -0.89 -3.42 114.38 115.43 3mma h ARG 110 Ca -0.03 -0.60 0.00 0.00 0.07 0.00 0.00 59.98 59.42 3mma h ARG 110 Cb 1.55 0.22 0.00 0.00 0.08 0.00 0.00 29.97 31.82 3mma h ARG 110 CO 0.09 1.26 -0.21 1.33 -1.07 0.00 0.00 179.97 181.37 3mma n VAL 111 N -3.55 0.00 -2.50 2.04 0.24 -0.86 -5.05 118.33 108.65 3mma n VAL 111 Ca -0.25 -0.09 -0.04 0.00 -2.04 0.00 0.00 64.34 61.92 3mma n VAL 111 Cb 1.07 0.57 0.02 0.00 -1.47 0.00 0.00 33.84 34.03 3mma n VAL 111 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3mma n GLY 112 N 0.70 0.41 3.23 7.63 0.00 -1.00 -5.03 105.19 111.13 3mma n GLY 112 Ca 0.00 -0.40 -0.36 0.00 0.00 0.00 0.00 46.02 45.26 3mma n GLY 112 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3mma s PHE 113 N -3.08 3.25 0.32 1.61 0.40 -1.25 -5.00 117.98 114.23 3mma s PHE 113 Ca 0.06 -1.62 -0.29 0.00 -0.60 0.00 0.00 56.93 54.48 3mma s PHE 113 Cb -0.02 -2.19 -0.10 0.00 0.51 0.00 0.00 43.02 41.21 3mma s PHE 113 CO 0.16 -0.76 1.32 -1.25 0.70 0.00 0.00 175.22 175.40 3mma s PRO 114 N 1.34 4.35 0.28 0.24 0.04 -1.26 -4.33 135.00 135.65 3mma s PRO 114 Ca -0.03 2.22 -0.29 0.00 0.04 0.00 0.00 61.00 62.94 3mma s PRO 114 Cb -0.19 -3.08 -0.09 0.00 0.04 0.00 0.00 34.50 31.17 3mma s PRO 114 CO 0.01 -0.22 1.01 0.00 0.04 0.00 0.00 177.00 177.84 3mma n GLY 116 N 1.20 0.22 2.05 0.00 0.00 -0.94 -4.56 105.19 103.16 3mma n GLY 116 Ca -0.01 -1.20 -0.01 0.00 0.00 0.00 0.00 46.02 44.81 3mma n GLY 116 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mma n GLY 117 N 0.00 0.49 3.87 -0.02 0.00 -0.50 -4.19 105.19 104.84 3mma n GLY 117 Ca 0.00 -0.65 -0.29 0.00 0.00 0.00 0.00 46.02 45.08 3mma n GLY 117 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3mma s THR 118 N -2.01 1.41 -0.12 2.61 -4.23 -1.26 -4.59 115.64 107.45 3mma s THR 118 Ca 0.00 -1.65 -0.29 0.00 -1.18 0.00 0.00 61.69 58.57 3mma s THR 118 Cb 0.00 -2.06 0.07 0.00 1.34 0.00 0.00 72.50 71.85 3mma s THR 118 CO 0.00 0.00 0.69 -1.66 -0.54 0.00 0.00 174.62 173.11 3mma s TRP 119 N -2.83 -0.70 -0.30 3.99 -2.14 -1.26 -1.77 118.94 113.94 3mma s TRP 119 Ca 0.23 1.38 0.03 0.00 2.66 0.00 0.00 56.10 60.41 3mma s TRP 119 Cb -0.01 0.36 0.08 0.00 -3.10 0.00 0.00 33.47 30.80 3mma s TRP 119 CO 0.15 -0.53 -0.01 0.34 -2.66 0.00 0.00 176.95 174.24 3mma s ASP 120 N -0.67 4.46 0.34 -2.66 2.15 -0.35 -4.97 116.67 114.97 3mma s ASP 120 Ca -0.07 -1.73 0.13 0.00 0.43 0.00 0.00 52.55 51.30 3mma s ASP 120 Cb -0.02 -1.46 0.59 0.00 -0.30 0.00 0.00 42.92 41.73 3mma s ASP 120 CO 0.07 -0.31 1.74 0.00 -0.17 0.00 0.00 175.17 176.50 3mma h ALA 121 N 7.76 1.19 0.85 3.66 0.00 -1.95 -0.56 119.26 130.21 3mma h ALA 121 Ca -0.11 -0.42 -0.04 0.00 0.00 0.00 0.00 54.91 54.33 3mma h ALA 121 Cb 1.03 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.75 3mma h ALA 121 CO 0.48 0.58 -0.49 0.28 0.00 0.00 0.00 179.25 180.10 3mma h VAL 122 N 0.00 0.00 -0.08 0.00 2.07 -1.95 -3.20 116.25 113.08 3mma h VAL 122 Ca -0.00 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.49 3mma h VAL 122 Cb 0.84 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.61 3mma h VAL 122 CO 0.06 0.00 -0.06 0.50 0.02 0.00 0.00 177.57 178.09 3mma h LYS 123 N -1.24 0.19 0.00 1.57 1.63 -2.01 -3.48 116.57 113.23 3mma h LYS 123 Ca -0.11 -0.09 0.00 0.00 -0.85 0.00 0.00 60.65 59.59 3mma h LYS 123 Cb 0.98 -0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.61 3mma h LYS 123 CO 0.14 0.59 0.00 0.41 -3.45 0.00 0.00 179.45 177.14 3mma n GLY 124 N 0.12 1.28 3.05 5.01 0.00 -0.29 -5.12 105.19 109.25 3mma n GLY 124 Ca -0.07 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.70 3mma n GLY 124 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3mma s GLU 125 N -0.10 1.82 0.05 1.61 2.02 -0.76 -4.73 118.70 118.60 3mma s GLU 125 Ca 0.00 -0.48 0.07 0.00 0.02 0.00 0.00 54.97 54.58 3mma s GLU 125 Cb 0.00 -1.49 -0.03 0.00 0.10 0.00 0.00 34.13 32.71 3mma s GLU 125 CO 0.00 0.07 -0.19 0.71 0.02 0.00 0.00 175.26 175.87 3mma s TYR 126 N 0.54 1.69 0.17 1.61 1.51 0.73 -1.21 117.35 122.39 3mma s TYR 126 Ca -0.13 -0.37 0.08 0.00 -1.01 0.00 0.00 57.07 55.63 3mma s TYR 126 Cb -0.15 -1.00 -0.04 0.00 -0.11 0.00 0.00 41.96 40.66 3mma s TYR 126 CO 0.04 0.09 -0.06 0.20 -1.11 0.00 0.00 175.55 174.71 3mma s GLY 127 N -1.23 1.74 -0.00 0.71 0.00 -0.73 -0.45 107.32 107.36 3mma s GLY 127 Ca 0.06 -1.41 -0.30 0.00 0.00 0.00 0.00 44.72 43.07 3mma s GLY 127 CO 0.02 -1.43 1.13 -2.27 0.00 0.00 0.00 173.10 170.55 3mma s LEU 128 N -2.83 4.33 0.62 0.66 2.96 -0.74 -4.66 118.68 119.03 3mma s LEU 128 Ca 0.26 1.83 0.04 0.00 -0.22 0.00 0.00 54.13 56.03 3mma s LEU 128 Cb -0.09 -3.57 0.09 0.00 0.50 0.00 0.00 46.19 43.12 3mma s LEU 128 CO 0.16 -0.45 0.86 -0.55 -1.32 0.00 0.00 176.35 175.05 3mma s SER 129 N 1.17 4.85 0.82 3.68 0.15 -1.26 -3.67 113.70 119.44 3mma s SER 129 Ca 0.55 -0.48 -0.15 0.00 0.70 0.00 0.00 55.95 56.57 3mma s SER 129 Cb -0.25 -0.09 -0.01 0.00 -1.71 0.00 0.00 66.02 63.96 3mma s SER 129 CO 0.26 -1.48 0.49 -3.20 1.20 0.00 0.00 173.24 170.51 3mma n ASN 130 N -2.47 -1.50 -4.59 5.45 2.85 -1.26 -4.79 115.26 108.94 3mma n ASN 130 Ca 0.14 0.49 -0.40 0.00 -0.11 0.00 0.00 54.58 54.69 3mma n ASN 130 Cb 0.61 -1.22 -0.08 0.00 1.24 0.00 0.00 39.78 40.33 3mma n ASN 130 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 3mma s ILE 131 N -2.10 5.04 0.10 -1.44 1.01 -1.26 -4.70 121.20 117.85 3mma s ILE 131 Ca 0.62 0.67 -0.31 0.00 0.00 0.00 0.00 60.65 61.63 3mma s ILE 131 Cb -0.29 -3.88 -0.08 0.00 0.01 0.00 0.00 42.46 38.22 3mma s ILE 131 CO 0.62 -0.04 1.39 0.68 0.00 0.00 0.00 174.94 177.59 3mma s VAL 132 N 2.36 3.36 0.18 2.92 -7.23 -1.24 -4.93 120.40 115.82 3mma s VAL 132 Ca 0.20 0.96 -0.02 0.00 -1.81 0.00 0.00 61.98 61.31 3mma s VAL 132 Cb -0.15 -3.61 0.01 0.00 0.56 0.00 0.00 36.38 33.18 3mma s VAL 132 CO 0.11 0.06 0.26 0.00 -0.31 0.00 0.00 175.10 175.22 3mma n HIS 133 N 4.16 -1.02 -2.33 2.82 -0.00 -1.26 -1.55 115.22 116.03 3mma n HIS 133 Ca 0.12 -1.15 0.00 0.00 -0.00 0.00 0.00 57.72 56.69 3mma n HIS 133 Cb 0.42 0.30 0.00 0.00 -0.00 0.00 0.00 29.99 30.71 3mma n HIS 133 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.34 176.59 3mma n THR 134 N -0.29 0.00 -0.04 0.61 -2.24 -1.26 -4.97 114.28 106.09 3mma n THR 134 Ca -0.00 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.64 3mma n THR 134 Cb 0.29 0.00 -0.11 0.00 -2.10 0.00 0.00 70.33 68.41 3mma n THR 134 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 3mma h GLN 135 N 0.00 0.09 0.00 -0.78 1.08 -1.99 -3.40 115.11 110.11 3mma h GLN 135 Ca 0.00 -0.09 0.00 0.00 -1.45 0.00 0.00 58.65 57.11 3mma h GLN 135 Cb 0.00 0.02 0.00 0.00 -0.05 0.00 0.00 27.48 27.45 3mma h GLN 135 CO 0.00 0.82 0.00 0.41 -0.95 0.00 0.00 178.83 179.11 3mma n GLY 136 N 0.94 0.38 0.00 3.46 0.00 -1.26 -3.19 105.19 105.53 3mma n GLY 136 Ca -0.09 -0.86 0.04 0.00 0.00 0.00 0.00 46.02 45.11 3mma n GLY 136 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3mma n TRP 137 N 0.00 0.00 -0.04 1.61 8.01 -1.26 -1.36 117.44 124.40 3mma n TRP 137 Ca 0.00 0.00 -0.04 0.00 -1.31 0.00 0.00 57.50 56.15 3mma n TRP 137 Cb 0.00 -0.45 0.19 0.00 -2.01 0.00 0.00 31.31 29.04 3mma n TRP 137 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 177.69 177.50 3mma h ILE 138 N 0.00 1.25 0.00 -0.99 2.04 -1.96 -3.42 117.51 114.43 3mma h ILE 138 Ca 0.00 -1.11 0.00 0.00 1.00 0.00 0.00 64.86 64.75 3mma h ILE 138 Cb 0.12 1.10 0.00 0.00 -0.74 0.00 0.00 36.82 37.31 3mma h ILE 138 CO 0.00 0.37 0.00 1.57 0.00 0.00 0.00 178.15 180.09 3mma n HIS 139 N -4.18 0.00 -3.47 1.37 -0.00 -1.02 -5.14 115.22 102.79 3mma n HIS 139 Ca 0.01 0.00 -0.35 0.00 0.46 0.00 0.00 57.72 57.84 3mma n HIS 139 Cb 0.35 0.00 -0.06 0.00 -0.12 0.00 0.00 29.99 30.16 3mma n HIS 139 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 3mma n HIS 141 N 0.85 0.00 -2.14 0.00 1.44 -1.26 -4.36 115.22 109.75 3mma n HIS 141 Ca -0.07 0.00 -0.01 0.00 -2.01 0.00 0.00 57.72 55.64 3mma n HIS 141 Cb 0.52 -0.06 0.09 0.00 0.12 0.00 0.00 29.99 30.66 3mma n HIS 141 CO 0.00 0.00 0.00 0.25 -2.81 0.00 0.00 176.34 173.78 3mma n THR 142 N -0.31 1.45 -2.85 0.61 -2.24 -1.26 -5.08 114.28 104.59 3mma n THR 142 Ca 0.11 -2.68 -0.31 0.00 -2.27 0.00 0.00 64.05 58.91 3mma n THR 142 Cb 0.40 0.21 -0.04 0.00 -2.10 0.00 0.00 70.33 68.81 3mma n THR 142 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 3mma s PRO 143 N -2.39 3.82 -0.06 -0.78 0.04 -1.26 -4.59 135.00 129.78 3mma s PRO 143 Ca 0.37 0.53 0.16 0.00 0.04 0.00 0.00 61.00 62.10 3mma s PRO 143 Cb 0.38 -2.38 -0.24 0.00 0.04 0.00 0.00 34.50 32.30 3mma s PRO 143 CO -0.08 -0.03 0.28 0.00 0.04 0.00 0.00 177.00 177.21 3mma n ALA 144 N -1.20 2.34 -4.38 8.56 0.00 0.37 -4.97 120.51 121.23 3mma n ALA 144 Ca 0.03 -0.56 -0.26 0.00 0.00 0.00 0.00 53.44 52.65 3mma n ALA 144 Cb 0.54 -0.43 -0.07 0.00 0.00 0.00 0.00 19.45 19.48 3mma n ALA 144 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 3mma n ILE 145 N -2.20 0.00 -4.17 0.00 -5.35 -1.14 -4.21 119.36 102.28 3mma n ILE 145 Ca -0.09 -2.40 -0.33 0.00 -0.27 0.00 0.00 62.75 59.66 3mma n ILE 145 Cb 0.58 1.00 -0.16 0.00 -1.74 0.00 0.00 39.64 39.32 3mma n ILE 145 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 3mma s ASP 146 N -3.43 3.31 0.04 7.28 2.15 -1.26 -4.35 116.67 120.41 3mma s ASP 146 Ca 0.28 -0.60 -0.21 0.00 0.43 0.00 0.00 52.55 52.45 3mma s ASP 146 Cb 0.01 -1.51 -0.11 0.00 -0.30 0.00 0.00 42.92 41.01 3mma s ASP 146 CO 0.20 0.01 1.32 0.00 -0.17 0.00 0.00 175.17 176.54 3mma h ALA 147 N 7.86 -1.15 -1.00 3.66 0.00 -1.82 -3.12 119.26 123.69 3mma h ALA 147 Ca -0.43 -0.15 0.22 0.00 0.00 0.00 0.00 54.91 54.55 3mma h ALA 147 Cb 1.15 0.37 -0.10 0.00 0.00 0.00 0.00 17.79 19.21 3mma h ALA 147 CO 0.62 -1.11 0.62 0.77 0.00 0.00 0.00 179.25 180.15 3mma h SER 148 N -0.73 0.62 0.24 0.00 0.02 -1.81 -0.64 113.55 111.24 3mma h SER 148 Ca -0.07 0.09 -0.01 0.00 -0.84 0.00 0.00 61.79 60.96 3mma h SER 148 Cb 0.57 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.10 3mma h SER 148 CO 0.08 0.18 -0.11 1.23 -1.14 0.00 0.00 176.83 177.07 3mma h GLY 149 N 0.58 -0.33 0.90 -3.77 0.00 -1.96 -2.58 103.07 95.91 3mma h GLY 149 Ca 0.58 0.12 0.03 0.00 0.00 0.00 0.00 47.33 48.06 3mma h GLY 149 CO -0.35 -0.12 0.49 -2.22 0.00 0.00 0.00 176.54 174.34 3mma h ILE 150 N -0.79 1.13 -0.18 2.60 2.04 -1.34 -1.01 117.51 119.95 3mma h ILE 150 Ca -0.03 -0.33 0.05 0.00 1.00 0.00 0.00 64.86 65.55 3mma h ILE 150 Cb 0.51 0.08 -0.05 0.00 -0.74 0.00 0.00 36.82 36.61 3mma h ILE 150 CO 0.05 0.18 -0.16 0.58 0.00 0.00 0.00 178.15 178.80 3mma h VAL 151 N 0.97 0.56 -0.47 1.67 2.07 -1.20 0.25 116.25 120.09 3mma h VAL 151 Ca 0.30 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.85 3mma h VAL 151 Cb -0.01 0.56 -0.04 0.00 -1.52 0.00 0.00 31.29 30.28 3mma h VAL 151 CO -0.10 0.00 0.25 0.50 0.02 0.00 0.00 177.57 178.24 3mma h LYS 152 N -0.17 0.49 -0.33 1.57 1.63 -1.02 -0.29 116.57 118.45 3mma h LYS 152 Ca 0.11 -0.03 -0.08 0.00 -0.85 0.00 0.00 60.65 59.81 3mma h LYS 152 Cb 0.34 -0.11 -0.02 0.00 -0.60 0.00 0.00 32.23 31.85 3mma h LYS 152 CO -0.29 0.32 -0.12 0.00 -3.45 0.00 0.00 179.45 175.91 3mma h ALA 153 N 1.24 1.18 0.04 5.00 0.00 -0.59 -1.43 119.26 124.70 3mma h ALA 153 Ca 0.20 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 3mma h ALA 153 Cb 0.08 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.73 3mma h ALA 153 CO -0.13 0.52 -0.02 0.28 0.00 0.00 0.00 179.25 179.91 3mma h VAL 154 N 0.52 1.37 0.00 0.00 2.07 -0.24 -3.21 116.25 116.76 3mma h VAL 154 Ca 0.09 -1.54 -0.02 0.00 0.82 0.00 0.00 66.70 66.06 3mma h VAL 154 Cb 0.52 2.36 -0.00 0.00 -1.52 0.00 0.00 31.29 32.65 3mma h VAL 154 CO 0.03 0.38 -0.09 0.24 0.02 0.00 0.00 177.57 178.15 3mma h MET 155 N -0.75 0.00 0.06 1.57 2.07 -1.02 -0.70 114.93 116.16 3mma h MET 155 Ca -0.00 0.00 -0.00 0.00 -2.07 0.00 0.00 59.70 57.62 3mma h MET 155 Cb 0.66 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.39 3mma h MET 155 CO 0.01 0.09 -0.03 -0.44 1.07 0.00 0.00 176.91 177.60 3mma h ASP 156 N 0.00 -0.07 -0.70 1.22 3.32 -1.32 0.19 116.42 119.05 3mma h ASP 156 Ca -0.00 -0.20 -0.01 0.00 0.02 0.00 0.00 57.03 56.84 3mma h ASP 156 Cb 0.24 0.02 -0.03 0.00 0.22 0.00 0.00 39.33 39.78 3mma h ASP 156 CO 0.01 0.16 0.40 -0.33 -1.72 0.00 0.00 179.24 177.76 3mma h GLU 157 N -0.31 0.99 -0.39 3.56 4.39 -1.38 -3.16 114.58 118.28 3mma h GLU 157 Ca -0.01 -0.10 -0.16 0.00 0.34 0.00 0.00 59.36 59.42 3mma h GLU 157 Cb 0.27 -0.20 -0.10 0.00 -0.10 0.00 0.00 28.75 28.62 3mma h GLU 157 CO 0.01 0.72 0.00 1.28 -1.16 0.00 0.00 179.01 179.87 3mma n LEU 158 N -4.37 4.30 0.26 1.33 4.77 -0.34 -4.70 117.00 118.26 3mma n LEU 158 Ca 0.07 -3.57 -0.12 0.00 -0.03 0.00 0.00 56.01 52.37 3mma n LEU 158 Cb 0.09 -0.63 -0.06 0.00 -2.33 0.00 0.00 43.42 40.50 3mma n LEU 158 CO 0.38 1.09 0.52 0.22 -1.33 0.00 0.00 177.39 178.27 3mma h TYR 159 N 1.21 -0.78 -1.18 -1.77 3.20 -0.59 -2.88 116.97 114.19 3mma h TYR 159 Ca 0.20 -0.01 0.38 0.00 3.14 0.00 0.00 58.73 62.45 3mma h TYR 159 Cb 1.71 0.28 -0.09 0.00 1.54 0.00 0.00 36.73 40.17 3mma h TYR 159 CO 0.95 -0.44 0.80 -0.85 -1.64 0.00 0.00 178.16 176.98 3mma n GLU 160 N -4.16 -0.02 -0.03 1.82 0.28 -1.26 -0.06 120.64 117.20 3mma n GLU 160 Ca -0.09 0.90 -0.17 0.00 -0.16 0.00 0.00 57.16 57.65 3mma n GLU 160 Cb 0.30 -1.87 -0.07 0.00 1.43 0.00 0.00 31.44 31.24 3mma n GLU 160 CO 0.00 0.00 0.00 1.88 -0.16 0.00 0.00 177.13 178.85 3mma h TYR 161 N 0.00 1.05 -0.64 -1.84 -1.99 -1.84 -2.96 116.97 108.75 3mma h TYR 161 Ca 0.68 -0.45 -0.00 0.00 2.00 0.00 0.00 58.73 60.96 3mma h TYR 161 Cb 2.36 -0.17 -0.03 0.00 2.00 0.00 0.00 36.73 40.89 3mma h TYR 161 CO -0.00 1.28 0.38 0.35 -0.00 0.00 0.00 178.16 180.17 3mma h PHE 162 N 0.53 0.84 0.00 4.88 3.57 -0.48 -1.95 116.94 124.32 3mma h PHE 162 Ca -0.04 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.46 3mma h PHE 162 Cb 1.34 -0.28 0.00 0.00 2.79 0.00 0.00 35.95 39.80 3mma h PHE 162 CO 0.09 0.56 -0.14 1.79 -2.23 0.00 0.00 178.31 178.38 3mma h THR 163 N 0.88 0.00 -2.84 4.41 1.35 -1.45 -1.32 112.91 113.94 3mma h THR 163 Ca 0.23 -0.62 -0.58 0.00 -0.55 0.00 0.00 66.41 64.89 3mma h THR 163 Cb -0.03 1.54 -0.13 0.00 -1.73 0.00 0.00 68.15 67.80 3mma h THR 163 CO -0.04 0.00 -0.49 -0.62 -0.25 0.00 0.00 175.52 174.12 3mma s ASP 164 N -4.91 2.83 -0.83 5.36 3.68 -1.12 -4.81 116.67 116.86 3mma s ASP 164 Ca 0.09 -1.75 0.02 0.00 2.13 0.00 0.00 52.55 53.03 3mma s ASP 164 Cb 0.11 0.62 0.28 0.00 -1.45 0.00 0.00 42.92 42.48 3mma s ASP 164 CO 0.64 -1.01 1.11 1.41 0.13 0.00 0.00 175.17 177.45 3mma n HIS 165 N -0.94 3.06 0.22 -5.34 8.25 -1.26 -3.83 115.22 115.39 3mma n HIS 165 Ca -0.05 -3.43 0.08 0.00 -0.26 0.00 0.00 57.72 54.06 3mma n HIS 165 Cb 0.64 -0.86 0.24 0.00 1.12 0.00 0.00 29.99 31.13 3mma n HIS 165 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3mma n LYS 166 N 0.92 2.39 -5.18 -0.41 5.02 -0.82 -4.03 118.16 116.04 3mma n LYS 166 Ca 0.29 -1.98 -0.32 0.00 -2.02 0.00 0.00 58.31 54.29 3mma n LYS 166 Cb 0.37 -1.48 -0.15 0.00 -0.02 0.00 0.00 35.03 33.75 3mma n LYS 166 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3mma s LEU 167 N -1.09 2.23 0.37 -0.35 1.43 0.40 -4.95 118.68 116.73 3mma s LEU 167 Ca 0.37 -0.42 0.27 0.00 -1.03 0.00 0.00 54.13 53.32 3mma s LEU 167 Cb 0.20 -1.41 1.02 0.00 0.03 0.00 0.00 46.19 46.03 3mma s LEU 167 CO 0.23 0.29 1.80 1.55 0.23 0.00 0.00 176.35 180.46 3mma h PRO 168 N 5.70 0.00 -3.71 1.29 0.13 -1.85 0.21 132.00 133.77 3mma h PRO 168 Ca -0.39 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.59 3mma h PRO 168 Cb 1.15 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.21 3mma h PRO 168 CO 0.48 0.00 -0.06 0.00 -0.23 0.00 0.00 178.00 178.19 3mma s ALA 169 N -3.39 0.08 0.07 -0.56 0.00 -1.26 0.03 121.76 116.72 3mma s ALA 169 Ca 0.04 -1.13 -0.31 0.00 0.00 0.00 0.00 51.96 50.57 3mma s ALA 169 Cb 0.09 1.02 -0.07 0.00 0.00 0.00 0.00 23.12 24.16 3mma s ALA 169 CO 0.50 -0.86 1.36 1.41 0.00 0.00 0.00 175.76 178.17 3mma s MET 170 N -3.21 4.33 -0.12 0.00 -2.45 -1.26 -4.70 119.30 111.88 3mma s MET 170 Ca 0.24 1.98 0.02 0.00 -1.25 0.00 0.00 55.69 56.69 3mma s MET 170 Cb -0.02 -3.38 0.01 0.00 1.25 0.00 0.00 34.83 32.70 3mma s MET 170 CO 0.15 -0.45 -0.19 0.00 1.05 0.00 0.00 175.02 175.58 3mma s ARG 172 N 0.82 3.68 -0.13 0.00 1.81 -1.26 -4.45 118.95 119.42 3mma s ARG 172 Ca -0.09 -0.51 -0.01 0.00 -1.72 0.00 0.00 55.73 53.41 3mma s ARG 172 Cb -0.16 -2.96 -0.02 0.00 -0.45 0.00 0.00 34.95 31.37 3mma s ARG 172 CO -0.00 0.21 -0.11 0.42 -0.68 0.00 0.00 175.30 175.13 3mma s ILE 173 N 0.46 3.22 0.10 1.52 1.01 -1.26 -0.91 121.20 125.34 3mma s ILE 173 Ca -0.03 -0.60 -0.00 0.00 0.00 0.00 0.00 60.65 60.02 3mma s ILE 173 Cb -0.14 -2.36 -0.04 0.00 0.01 0.00 0.00 42.46 39.93 3mma s ILE 173 CO 0.03 0.52 -0.01 -0.44 0.00 0.00 0.00 174.94 175.04 3mma s SER 174 N 0.33 0.68 -0.02 3.58 0.01 -0.55 -3.65 113.70 114.08 3mma s SER 174 Ca -0.09 -1.08 -0.03 0.00 1.31 0.00 0.00 55.95 56.05 3mma s SER 174 Cb -0.16 0.19 0.00 0.00 0.21 0.00 0.00 66.02 66.27 3mma s SER 174 CO 0.05 -0.60 0.08 -0.22 0.41 0.00 0.00 173.24 172.96 3mma s LEU 175 N -3.02 1.71 -0.02 2.44 0.20 -0.60 -1.48 118.68 117.92 3mma s LEU 175 Ca 0.15 0.02 0.02 0.00 0.69 0.00 0.00 54.13 55.02 3mma s LEU 175 Cb 0.07 0.35 0.00 0.00 -0.43 0.00 0.00 46.19 46.18 3mma s LEU 175 CO -0.04 -0.13 -0.07 0.00 -0.29 0.00 0.00 176.35 175.82 3mma s ALA 176 N -0.41 0.66 -0.70 5.97 0.00 0.59 -4.35 121.76 123.53 3mma s ALA 176 Ca -0.05 -0.27 0.25 0.00 0.00 0.00 0.00 51.96 51.89 3mma s ALA 176 Cb -0.03 -0.23 0.50 0.00 0.00 0.00 0.00 23.12 23.35 3mma s ALA 176 CO 0.00 0.12 1.45 0.00 0.00 0.00 0.00 175.76 177.34 3mma h ALA 179 N 1.67 1.07 0.00 0.00 0.00 -1.77 -2.28 119.26 117.96 3mma h ALA 179 Ca -0.04 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.60 3mma h ALA 179 Cb 0.18 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3mma h ALA 179 CO 0.06 0.37 0.00 0.27 0.00 0.00 0.00 179.25 179.95 3mma n ASN 180 N -3.55 0.00 -3.82 0.00 0.23 -1.26 -4.93 115.26 101.93 3mma n ASN 180 Ca -0.00 -1.53 -0.28 0.00 -0.53 0.00 0.00 54.58 52.24 3mma n ASN 180 Cb 0.44 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.14 3mma n ASN 180 CO 0.00 0.00 0.00 0.80 -0.93 0.00 0.00 177.26 177.13 3mma n MET 181 N -0.64 -1.30 -2.38 -3.83 1.56 -0.86 -4.89 117.12 104.79 3mma n MET 181 Ca 0.06 0.66 -0.41 0.00 -0.27 0.00 0.00 57.70 57.73 3mma n MET 181 Cb 0.03 -2.48 -0.03 0.00 2.15 0.00 0.00 33.22 32.88 3mma n MET 181 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 3mma n GLY 183 N 2.31 0.33 1.37 0.00 0.00 -1.26 -4.60 105.19 103.34 3mma n GLY 183 Ca 0.05 -2.04 0.00 0.00 0.00 0.00 0.00 46.02 44.03 3mma n GLY 183 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mma n ALA 184 N 0.87 3.40 -0.02 4.61 0.00 -1.26 -4.42 120.51 123.70 3mma n ALA 184 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.30 3mma n ALA 184 Cb 0.00 -1.05 -0.03 0.00 0.00 0.00 0.00 19.45 18.37 3mma n ALA 184 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3mma h VAL 185 N 0.76 1.30 0.00 0.00 2.07 -1.84 -2.44 116.25 116.10 3mma h VAL 185 Ca 0.00 -1.93 0.00 0.00 0.82 0.00 0.00 66.70 65.59 3mma h VAL 185 Cb 0.93 1.90 0.00 0.00 -1.52 0.00 0.00 31.29 32.60 3mma h VAL 185 CO 0.00 0.61 0.00 0.00 0.02 0.00 0.00 177.57 178.20 3mma n HIS 186 N -3.93 0.00 -2.79 1.57 1.44 -1.26 -3.48 115.22 106.77 3mma n HIS 186 Ca -0.06 0.00 -0.12 0.00 -2.01 0.00 0.00 57.72 55.54 3mma n HIS 186 Cb 0.70 -0.13 0.01 0.00 0.12 0.00 0.00 29.99 30.69 3mma n HIS 186 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 3mma n ALA 187 N -1.13 3.11 -2.35 1.59 0.00 -0.92 0.23 120.51 121.04 3mma n ALA 187 Ca 0.10 -3.23 -0.18 0.00 0.00 0.00 0.00 53.44 50.12 3mma n ALA 187 Cb 0.08 -0.93 -0.10 0.00 0.00 0.00 0.00 19.45 18.50 3mma n ALA 187 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3mma s SER 188 N -2.96 2.45 0.41 0.00 0.15 -1.21 -3.47 113.70 109.07 3mma s SER 188 Ca 0.31 -1.07 0.13 0.00 0.70 0.00 0.00 55.95 56.02 3mma s SER 188 Cb 0.43 -0.11 0.87 0.00 -1.71 0.00 0.00 66.02 65.50 3mma s SER 188 CO 0.01 -0.26 1.92 0.44 1.20 0.00 0.00 173.24 176.54 3mma h ASP 189 N 2.52 0.01 -3.05 5.45 5.19 -1.58 0.37 116.42 125.32 3mma h ASP 189 Ca -0.38 -0.00 -0.19 0.00 -0.62 0.00 0.00 57.03 55.83 3mma h ASP 189 Cb 1.22 -0.00 -0.31 0.00 0.18 0.00 0.00 39.33 40.42 3mma h ASP 189 CO 0.63 0.27 -0.49 -0.63 -3.12 0.00 0.00 179.24 175.91 3mma s ILE 190 N -4.44 -0.26 -0.02 0.35 1.01 -0.09 -2.79 121.20 114.97 3mma s ILE 190 Ca -0.03 0.21 0.04 0.00 0.00 0.00 0.00 60.65 60.87 3mma s ILE 190 Cb 0.15 -0.45 -0.01 0.00 0.01 0.00 0.00 42.46 42.17 3mma s ILE 190 CO 0.71 0.09 -0.15 0.00 0.00 0.00 0.00 174.94 175.59 3mma s ALA 191 N 1.92 1.26 -0.23 9.38 0.00 0.28 -1.48 121.76 132.89 3mma s ALA 191 Ca -0.04 -0.63 -0.02 0.00 0.00 0.00 0.00 51.96 51.27 3mma s ALA 191 Cb -0.11 -0.34 0.01 0.00 0.00 0.00 0.00 23.12 22.68 3mma s ALA 191 CO -0.09 0.29 -0.07 0.42 0.00 0.00 0.00 175.76 176.31 3mma s ILE 192 N -0.27 2.94 -0.16 0.00 1.01 -0.55 -0.12 121.20 124.05 3mma s ILE 192 Ca 0.04 -0.82 0.00 0.00 0.00 0.00 0.00 60.65 59.88 3mma s ILE 192 Cb -0.07 -2.40 0.03 0.00 0.01 0.00 0.00 42.46 40.03 3mma s ILE 192 CO -0.00 0.33 -0.10 -0.69 0.00 0.00 0.00 174.94 174.47 3mma s VAL 193 N 1.38 1.42 0.08 2.92 1.01 0.15 -0.30 120.40 127.06 3mma s VAL 193 Ca 0.03 -0.69 -0.31 0.00 0.00 0.00 0.00 61.98 61.01 3mma s VAL 193 Cb -0.15 -1.45 -0.09 0.00 0.00 0.00 0.00 36.38 34.69 3mma s VAL 193 CO -0.05 0.30 1.77 -0.83 0.00 0.00 0.00 175.10 176.28 3mma s GLY 194 N 1.52 1.45 0.12 4.51 0.00 0.87 -0.29 107.32 115.51 3mma s GLY 194 Ca 0.02 1.30 0.06 0.00 0.00 0.00 0.00 44.72 46.11 3mma s GLY 194 CO -0.09 3.09 -0.14 -0.26 0.00 0.00 0.00 173.10 175.70 3mma s ILE 195 N 3.02 1.31 0.30 0.90 -4.36 0.16 -3.28 121.20 119.25 3mma s ILE 195 Ca 0.79 -1.71 0.04 0.00 -0.26 0.00 0.00 60.65 59.51 3mma s ILE 195 Cb -0.42 -1.52 -0.02 0.00 1.25 0.00 0.00 42.46 41.75 3mma s ILE 195 CO 0.35 -0.42 0.45 -1.00 0.24 0.00 0.00 174.94 174.56 3mma s HIS 196 N -2.14 3.37 -0.01 1.37 3.76 -1.24 -2.05 115.29 118.35 3mma s HIS 196 Ca 0.09 0.03 0.02 0.00 -0.15 0.00 0.00 55.06 55.05 3mma s HIS 196 Cb -0.05 -1.79 0.03 0.00 1.11 0.00 0.00 32.58 31.88 3mma s HIS 196 CO 0.03 0.21 0.80 0.54 -0.85 0.00 0.00 174.74 175.47 3mma n ARG 197 N -1.59 1.22 -4.44 1.40 1.74 -1.26 -4.76 116.66 108.97 3mma n ARG 197 Ca -0.05 -1.12 -0.22 0.00 -0.77 0.00 0.00 57.85 55.68 3mma n ARG 197 Cb 0.57 -0.78 -0.16 0.00 -1.02 0.00 0.00 32.46 31.07 3mma n ARG 197 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 3mma s THR 198 N -0.64 0.90 0.71 0.55 -4.23 -1.26 -5.00 115.64 106.67 3mma s THR 198 Ca 0.03 -0.37 -0.14 0.00 -1.18 0.00 0.00 61.69 60.03 3mma s THR 198 Cb 0.03 -0.83 0.03 0.00 1.34 0.00 0.00 72.50 73.07 3mma s THR 198 CO 0.00 0.29 1.14 -2.16 -0.54 0.00 0.00 174.62 173.36 3mma s PRO 199 N 0.54 2.38 0.03 3.99 0.04 -1.26 -4.77 135.00 135.95 3mma s PRO 199 Ca -0.10 1.51 -0.30 0.00 0.04 0.00 0.00 61.00 62.14 3mma s PRO 199 Cb -0.13 -1.89 -0.05 0.00 0.04 0.00 0.00 34.50 32.48 3mma s PRO 199 CO 0.02 -1.60 1.12 -1.25 0.04 0.00 0.00 177.00 175.33 3mma s PRO 200 N -4.15 4.47 -0.33 0.56 0.04 -1.26 -4.74 135.00 129.58 3mma s PRO 200 Ca 0.69 1.64 -0.26 0.00 0.04 0.00 0.00 61.00 63.11 3mma s PRO 200 Cb -0.23 -3.40 0.01 0.00 0.04 0.00 0.00 34.50 30.92 3mma s PRO 200 CO 0.45 -0.20 0.93 0.42 0.04 0.00 0.00 177.00 178.65 3mma s ILE 201 N 1.13 4.62 0.35 0.56 1.01 -1.14 -4.95 121.20 122.79 3mma s ILE 201 Ca 0.56 1.37 -0.29 0.00 0.00 0.00 0.00 60.65 62.30 3mma s ILE 201 Cb -0.26 -4.30 -0.11 0.00 0.01 0.00 0.00 42.46 37.80 3mma s ILE 201 CO 0.28 -0.43 1.39 -2.84 0.00 0.00 0.00 174.94 173.34 3mma s PRO 202 N 3.37 4.25 -0.54 2.79 0.02 -1.26 -4.29 135.00 139.34 3mma s PRO 202 Ca 0.39 2.37 -0.14 0.00 0.02 0.00 0.00 61.00 63.64 3mma s PRO 202 Cb -0.13 -3.03 0.13 0.00 0.02 0.00 0.00 34.50 31.50 3mma s PRO 202 CO 0.16 -0.34 0.48 1.21 -0.33 0.00 0.00 177.00 178.17 3mma s ASN 203 N -0.30 6.10 0.30 2.53 3.84 0.28 -4.97 114.94 122.72 3mma s ASN 203 Ca 0.51 -1.88 0.00 0.00 0.21 0.00 0.00 52.86 51.70 3mma s ASN 203 Cb -0.43 -2.16 0.51 0.00 -0.55 0.00 0.00 41.25 38.62 3mma s ASN 203 CO 0.57 -0.80 1.91 0.44 -2.79 0.00 0.00 177.10 176.42 3mma h ASP 204 N 8.70 0.93 -0.27 -4.21 3.32 -1.94 -2.09 116.42 120.85 3mma h ASP 204 Ca -0.25 0.01 -0.04 0.00 0.02 0.00 0.00 57.03 56.76 3mma h ASP 204 Cb 1.09 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 40.44 3mma h ASP 204 CO 0.98 0.60 0.01 -0.08 -1.72 0.00 0.00 179.24 179.02 3mma h GLU 205 N 1.05 0.48 0.00 3.56 4.81 -1.97 -2.97 114.58 119.55 3mma h GLU 205 Ca 0.40 -0.15 -0.08 0.00 -0.13 0.00 0.00 59.36 59.40 3mma h GLU 205 Cb 0.19 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.52 3mma h GLU 205 CO -0.15 0.63 -0.39 0.00 -0.73 0.00 0.00 179.01 178.37 3mma h ALA 206 N 0.83 1.34 -0.04 2.92 0.00 -1.82 -3.23 119.26 119.26 3mma h ALA 206 Ca 0.08 -0.35 -0.02 0.00 0.00 0.00 0.00 54.91 54.61 3mma h ALA 206 Cb 0.41 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 3mma h ALA 206 CO 0.01 0.48 -0.06 0.82 0.00 0.00 0.00 179.25 180.51 3mma h ILE 207 N 0.00 1.42 -0.75 0.00 2.04 -1.36 -2.71 117.51 116.15 3mma h ILE 207 Ca -0.00 -1.34 0.10 0.00 1.00 0.00 0.00 64.86 64.62 3mma h ILE 207 Cb 0.69 2.23 -0.08 0.00 -0.74 0.00 0.00 36.82 38.93 3mma h ILE 207 CO 0.05 0.36 0.37 0.03 0.00 0.00 0.00 178.15 178.96 3mma h ARG 208 N -0.40 0.59 0.11 2.37 3.08 -1.54 0.68 114.38 119.26 3mma h ARG 208 Ca 0.00 -0.04 -0.29 0.00 0.07 0.00 0.00 59.98 59.73 3mma h ARG 208 Cb 0.62 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.53 3mma h ARG 208 CO 0.01 0.39 -1.39 -0.22 -1.07 0.00 0.00 179.97 177.70 3mma h LYS 209 N 0.61 0.23 0.00 0.04 3.64 -1.65 -3.42 116.57 116.02 3mma h LYS 209 Ca 0.38 -0.39 -0.16 0.00 -1.27 0.00 0.00 60.65 59.20 3mma h LYS 209 Cb 0.43 0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 32.36 3mma h LYS 209 CO -0.29 1.12 -1.62 0.25 -2.27 0.00 0.00 179.45 176.63 3mma n THR 210 N -3.46 0.62 -3.14 1.00 -2.24 -1.02 -5.04 114.28 101.01 3mma n THR 210 Ca -0.12 -0.28 -0.39 0.00 -2.27 0.00 0.00 64.05 60.99 3mma n THR 210 Cb 1.03 -0.86 -0.05 0.00 -2.10 0.00 0.00 70.33 68.35 3mma n THR 210 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3mma s GLU 212 N 0.54 3.28 0.08 0.00 -6.30 -1.26 -4.77 118.70 110.26 3mma s GLU 212 Ca 0.34 -0.20 -0.30 0.00 -2.50 0.00 0.00 54.97 52.31 3mma s GLU 212 Cb -0.17 -4.13 -0.18 0.00 0.00 0.00 0.00 34.13 29.65 3mma s GLU 212 CO 0.16 -1.90 1.66 0.82 0.02 0.00 0.00 175.26 176.02 3mma h ILE 213 N 6.05 0.55 -0.86 -3.70 2.04 -1.95 -2.89 117.51 116.76 3mma h ILE 213 Ca -0.27 0.00 0.17 0.00 1.00 0.00 0.00 64.86 65.76 3mma h ILE 213 Cb 1.06 0.55 -0.06 0.00 -0.74 0.00 0.00 36.82 37.62 3mma h ILE 213 CO 1.22 0.00 0.56 -0.65 0.00 0.00 0.00 178.15 179.28 3mma h PRO 214 N -0.61 0.50 0.00 2.37 0.11 -1.99 0.12 132.00 132.50 3mma h PRO 214 Ca -0.06 -0.03 -0.15 0.00 0.11 0.00 0.00 66.00 65.87 3mma h PRO 214 Cb 0.47 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 31.45 3mma h PRO 214 CO 0.10 0.33 -0.80 0.66 -0.21 0.00 0.00 178.00 178.08 3mma h SER 215 N 0.52 0.00 0.02 -2.05 4.64 -1.98 -0.60 113.55 114.09 3mma h SER 215 Ca 0.44 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.76 3mma h SER 215 Cb 0.92 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.01 3mma h SER 215 CO -0.18 0.68 -0.01 0.74 -0.87 0.00 0.00 176.83 177.20 3mma h THR 216 N 0.00 1.17 -0.83 2.95 2.02 -0.86 -2.29 112.91 115.08 3mma h THR 216 Ca -0.03 -0.57 -0.01 0.00 0.77 0.00 0.00 66.41 66.57 3mma h THR 216 Cb 1.55 1.56 -0.04 0.00 -1.74 0.00 0.00 68.15 69.47 3mma h THR 216 CO 0.08 0.15 0.48 0.58 0.37 0.00 0.00 175.52 177.19 3mma h VAL 217 N -0.27 1.24 0.00 3.16 2.07 -0.84 -2.69 116.25 118.92 3mma h VAL 217 Ca -0.00 -0.54 -0.04 0.00 0.82 0.00 0.00 66.70 66.94 3mma h VAL 217 Cb 0.26 0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 30.12 3mma h VAL 217 CO 0.00 0.25 -0.21 0.00 0.02 0.00 0.00 177.57 177.63 3mma h ALA 218 N 1.26 1.09 -0.00 1.67 0.00 -1.11 -3.09 119.26 119.07 3mma h ALA 218 Ca 0.30 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3mma h ALA 218 Cb -0.02 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3mma h ALA 218 CO -0.05 0.26 -0.03 0.00 0.00 0.00 0.00 179.25 179.43 3mma n ALA 219 N -2.24 2.60 -2.66 0.00 0.00 -0.86 -4.77 120.51 112.57 3mma n ALA 219 Ca -0.00 -0.19 -0.42 0.00 0.00 0.00 0.00 53.44 52.82 3mma n ALA 219 Cb 0.38 -1.44 -0.03 0.00 0.00 0.00 0.00 19.45 18.36 3mma n ALA 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3mma h PRO 221 N 7.41 0.00 -0.00 0.00 0.11 -1.91 -3.20 132.00 134.41 3mma h PRO 221 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 3mma h PRO 221 Cb 1.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.22 3mma h PRO 221 CO 0.88 0.00 -0.36 0.25 -0.21 0.00 0.00 178.00 178.56 3mma n THR 222 N -2.60 0.00 -1.01 -1.15 -2.24 -1.26 -4.78 114.28 101.24 3mma n THR 222 Ca 0.03 -0.32 -0.00 0.00 -2.27 0.00 0.00 64.05 61.48 3mma n THR 222 Cb 0.33 1.04 -0.00 0.00 -2.10 0.00 0.00 70.33 69.60 3mma n THR 222 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3mma n GLY 223 N 1.10 0.47 0.34 3.38 0.00 -1.21 -4.91 105.19 104.37 3mma n GLY 223 Ca 0.03 -0.32 0.16 0.00 0.00 0.00 0.00 46.02 45.88 3mma n GLY 223 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mma h ALA 224 N 0.00 1.42 -2.93 4.61 0.00 -1.87 -3.41 119.26 117.08 3mma h ALA 224 Ca -0.01 -0.00 -0.61 0.00 0.00 0.00 0.00 54.91 54.29 3mma h ALA 224 Cb 0.05 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 17.76 3mma h ALA 224 CO 0.01 -0.36 -0.33 -0.51 0.00 0.00 0.00 179.25 178.07 3mma s LEU 225 N -6.01 4.32 -0.03 0.00 1.43 -1.26 -0.21 118.68 116.92 3mma s LEU 225 Ca -0.04 0.60 0.02 0.00 -1.03 0.00 0.00 54.13 53.68 3mma s LEU 225 Cb 0.10 -2.37 0.01 0.00 0.03 0.00 0.00 46.19 43.96 3mma s LEU 225 CO 0.32 0.20 -0.07 -0.54 0.23 0.00 0.00 176.35 176.49 3mma s LYS 226 N -0.14 0.91 0.16 1.70 1.02 -0.82 -4.96 119.74 117.61 3mma s LYS 226 Ca 0.18 -0.22 -0.31 0.00 0.02 0.00 0.00 55.97 55.63 3mma s LYS 226 Cb -0.14 -0.86 -0.09 0.00 -0.52 0.00 0.00 37.83 36.22 3mma s LYS 226 CO 0.06 0.03 1.48 -2.14 -0.92 0.00 0.00 175.35 173.87 3mma s PRO 227 N 0.47 4.26 -0.37 -1.68 0.02 -1.26 -1.72 135.00 134.71 3mma s PRO 227 Ca -0.07 2.25 -0.17 0.00 0.02 0.00 0.00 61.00 63.03 3mma s PRO 227 Cb -0.11 -3.18 0.00 0.00 0.02 0.00 0.00 34.50 31.23 3mma s PRO 227 CO 0.01 -0.52 0.46 0.34 -0.33 0.00 0.00 177.00 176.96 3mma s ASP 228 N 1.01 6.25 0.56 2.53 -1.08 0.11 -4.88 116.67 121.16 3mma s ASP 228 Ca 0.66 -0.28 0.34 0.00 -0.52 0.00 0.00 52.55 52.76 3mma s ASP 228 Cb -0.41 -2.24 1.48 0.00 -1.46 0.00 0.00 42.92 40.29 3mma s ASP 228 CO 0.32 -0.49 2.03 0.24 0.52 0.00 0.00 175.17 177.79 3mma h MET 229 N 8.56 0.00 0.00 4.34 2.86 -1.94 -1.24 114.93 127.51 3mma h MET 229 Ca -0.28 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.36 3mma h MET 229 Cb 1.12 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.78 3mma h MET 229 CO 0.77 0.03 0.00 1.63 1.06 0.00 0.00 176.91 180.39 3mma n LYS 230 N -3.15 0.00 0.00 1.72 4.76 -1.26 -3.53 118.16 116.70 3mma n LYS 230 Ca -0.00 0.12 0.00 0.00 -2.87 0.00 0.00 58.31 55.56 3mma n LYS 230 Cb 0.28 -0.87 0.00 0.00 -1.84 0.00 0.00 35.03 32.60 3mma n LYS 230 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 3mma n ASN 231 N -0.87 0.00 -4.26 4.39 5.03 -1.26 -5.02 115.26 113.26 3mma n ASN 231 Ca 0.00 0.00 -0.36 0.00 0.87 0.00 0.00 54.58 55.09 3mma n ASN 231 Cb 0.00 0.00 -0.04 0.00 -1.02 0.00 0.00 39.78 38.72 3mma n ASN 231 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 3mma n LYS 232 N 0.00 -2.45 -1.63 3.52 5.02 -0.65 -4.90 118.16 117.08 3mma n LYS 232 Ca 0.00 0.30 0.00 0.00 -2.02 0.00 0.00 58.31 56.59 3mma n LYS 232 Cb 0.00 -4.78 0.00 0.00 -0.02 0.00 0.00 35.03 30.23 3mma n LYS 232 CO 0.00 0.00 0.00 -2.37 -0.52 0.00 0.00 177.40 174.51 3mma n THR 233 N -4.34 0.00 -5.06 -0.18 5.66 -0.56 -4.53 114.28 105.26 3mma n THR 233 Ca -0.01 0.00 -0.31 0.00 -3.05 0.00 0.00 64.05 60.67 3mma n THR 233 Cb 0.53 0.00 -0.15 0.00 -1.55 0.00 0.00 70.33 69.17 3mma n THR 233 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 175.07 171.39 3mma s ILE 234 N -1.32 2.45 -0.06 1.09 1.01 -1.26 0.10 121.20 123.21 3mma s ILE 234 Ca 0.00 -1.03 0.00 0.00 0.00 0.00 0.00 60.65 59.62 3mma s ILE 234 Cb 0.00 -1.92 -0.03 0.00 0.01 0.00 0.00 42.46 40.52 3mma s ILE 234 CO 0.00 0.53 -0.04 -0.54 0.00 0.00 0.00 174.94 174.90 3mma s LYS 235 N -0.81 2.80 -0.19 2.79 1.02 -0.70 -4.87 119.74 119.78 3mma s LYS 235 Ca 0.11 -0.53 -0.00 0.00 0.02 0.00 0.00 55.97 55.57 3mma s LYS 235 Cb -0.10 -2.66 0.01 0.00 -0.52 0.00 0.00 37.83 34.56 3mma s LYS 235 CO 0.01 0.66 -0.16 0.54 -0.92 0.00 0.00 175.35 175.48 3mma s VAL 236 N -0.90 2.44 -0.55 3.17 0.11 -1.26 -1.95 120.40 121.46 3mma s VAL 236 Ca 0.14 -0.81 -0.28 0.00 -2.93 0.00 0.00 61.98 58.10 3mma s VAL 236 Cb -0.11 -2.05 0.03 0.00 -1.53 0.00 0.00 36.38 32.71 3mma s VAL 236 CO 0.04 0.51 1.21 -0.62 -3.33 0.00 0.00 175.10 172.90 3mma s ASP 237 N 1.33 6.46 0.54 3.54 -1.08 0.71 -4.90 116.67 123.26 3mma s ASP 237 Ca 0.05 0.22 0.20 0.00 -0.52 0.00 0.00 52.55 52.50 3mma s ASP 237 Cb -0.13 -2.55 1.41 0.00 -1.46 0.00 0.00 42.92 40.19 3mma s ASP 237 CO -0.10 -1.45 2.17 -0.37 0.52 0.00 0.00 175.17 175.94 3mma h VAL 238 N 6.20 0.87 0.00 1.11 -1.51 -1.96 -1.86 116.25 119.11 3mma h VAL 238 Ca -0.25 0.00 -0.04 0.00 -1.23 0.00 0.00 66.70 65.18 3mma h VAL 238 Cb 1.06 0.99 -0.01 0.00 -2.13 0.00 0.00 31.29 31.21 3mma h VAL 238 CO 1.17 0.00 -0.21 -0.33 -1.23 0.00 0.00 177.57 176.97 3mma h GLU 239 N 0.00 0.00 -0.01 5.19 5.08 -1.98 -3.17 114.58 119.69 3mma h GLU 239 Ca 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 3mma h GLU 239 Cb 0.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.28 3mma h GLU 239 CO -0.00 0.21 -0.40 1.63 -1.00 0.00 0.00 179.01 179.45 3mma n LYS 240 N -3.45 1.44 -3.03 2.33 5.02 -0.71 -4.96 118.16 114.80 3mma n LYS 240 Ca -0.00 -0.95 -0.40 0.00 -2.02 0.00 0.00 58.31 54.93 3mma n LYS 240 Cb 0.39 -1.39 -0.05 0.00 -0.02 0.00 0.00 35.03 33.96 3mma n LYS 240 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3mma n MET 242 N 4.75 2.44 -2.75 0.00 0.00 -1.26 -4.93 117.12 115.37 3mma n MET 242 Ca 0.00 -2.88 -0.18 0.00 0.00 0.00 0.00 57.70 54.64 3mma n MET 242 Cb 0.50 -1.79 0.02 0.00 0.00 0.00 0.00 33.22 31.95 3mma n MET 242 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 175.97 176.63 3mma n TYR 243 N -0.79 -1.42 0.09 3.17 4.01 -1.26 -4.90 117.16 116.06 3mma n TYR 243 Ca 0.23 0.33 -0.02 0.00 -0.16 0.00 0.00 57.90 58.28 3mma n TYR 243 Cb 0.89 -3.78 0.24 0.00 -0.31 0.00 0.00 39.34 36.37 3mma n TYR 243 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3mma n GLY 245 N -0.29 0.61 0.20 0.00 0.00 -1.26 -4.46 105.19 99.98 3mma n GLY 245 Ca -0.01 -0.92 -0.02 0.00 0.00 0.00 0.00 46.02 45.07 3mma n GLY 245 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 3mma h ASN 246 N 0.00 0.25 0.32 1.61 -1.24 -1.91 -2.63 115.58 111.98 3mma h ASN 246 Ca -0.07 -0.10 -0.06 0.00 0.71 0.00 0.00 56.30 56.78 3mma h ASN 246 Cb 0.26 -0.07 -0.01 0.00 0.73 0.00 0.00 38.32 39.23 3mma h ASN 246 CO 0.10 0.63 -0.28 0.00 -1.29 0.00 0.00 177.43 176.59 3mma h TYR 248 N 0.00 0.41 -0.71 0.00 3.20 -1.60 0.57 116.97 118.84 3mma h TYR 248 Ca -0.00 -0.20 0.04 0.00 3.14 0.00 0.00 58.73 61.70 3mma h TYR 248 Cb 0.52 -0.06 -0.05 0.00 1.54 0.00 0.00 36.73 38.69 3mma h TYR 248 CO 0.00 0.97 0.44 1.15 -1.64 0.00 0.00 178.16 179.08 3mma h THR 249 N 0.18 1.08 0.00 1.81 2.02 -1.16 -2.95 112.91 113.90 3mma h THR 249 Ca -0.04 -0.29 -0.10 0.00 0.77 0.00 0.00 66.41 66.75 3mma h THR 249 Cb 1.39 0.15 -0.01 0.00 -1.74 0.00 0.00 68.15 67.94 3mma h THR 249 CO 0.13 0.16 -0.47 0.24 0.37 0.00 0.00 175.52 175.94 3mma h MET 250 N 0.85 0.00 -2.44 6.66 2.86 -1.22 -3.46 114.93 118.18 3mma h MET 250 Ca 0.29 0.00 -0.14 0.00 -2.06 0.00 0.00 59.70 57.80 3mma h MET 250 Cb 0.05 0.00 -0.29 0.00 0.06 0.00 0.00 31.60 31.42 3mma h MET 250 CO -0.12 0.47 -0.43 0.00 1.06 0.00 0.00 176.91 177.89 3mma n PRO 252 N 5.38 0.15 -0.09 0.00 -0.04 -1.26 -2.15 135.00 137.00 3mma n PRO 252 Ca -0.07 0.50 0.04 0.00 -0.04 0.00 0.00 63.50 63.93 3mma n PRO 252 Cb 0.50 -1.86 0.15 0.00 -0.04 0.00 0.00 33.50 32.25 3mma n PRO 252 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3mma n GLY 253 N -0.56 -0.16 2.62 0.55 0.00 -1.26 -4.37 105.19 102.02 3mma n GLY 253 Ca 0.01 -0.22 -0.23 0.00 0.00 0.00 0.00 46.02 45.58 3mma n GLY 253 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3mma n MET 254 N 0.00 2.66 -2.27 1.61 2.81 -0.91 -0.56 117.12 120.47 3mma n MET 254 Ca 0.08 -4.27 -0.40 0.00 -1.81 0.00 0.00 57.70 51.30 3mma n MET 254 Cb 0.17 -2.01 -0.03 0.00 -0.71 0.00 0.00 33.22 30.64 3mma n MET 254 CO 0.00 0.00 0.00 -1.25 1.51 0.00 0.00 175.97 176.23 3mma s PRO 255 N -3.30 4.29 -0.07 0.03 0.04 -1.26 -3.94 135.00 130.80 3mma s PRO 255 Ca 0.44 1.97 0.11 0.00 0.04 0.00 0.00 61.00 63.55 3mma s PRO 255 Cb 0.36 -2.93 0.16 0.00 0.04 0.00 0.00 34.50 32.13 3mma s PRO 255 CO -0.12 -0.15 1.06 1.47 0.04 0.00 0.00 177.00 179.30 3mma n LEU 256 N 0.58 1.97 -4.69 -3.56 -0.00 -1.26 -2.87 117.00 107.17 3mma n LEU 256 Ca 0.02 -2.46 -0.42 0.00 -0.00 0.00 0.00 56.01 53.14 3mma n LEU 256 Cb 0.44 -0.24 -0.03 0.00 -0.00 0.00 0.00 43.42 43.59 3mma n LEU 256 CO 0.54 0.58 1.15 -0.36 -0.00 0.00 0.00 177.39 179.30 3mma s PHE 257 N -1.95 2.82 -0.24 1.47 2.99 -1.26 -4.63 117.98 117.19 3mma s PHE 257 Ca 0.18 0.74 -0.04 0.00 0.00 0.00 0.00 56.93 57.82 3mma s PHE 257 Cb 0.16 -3.72 0.09 0.00 0.00 0.00 0.00 43.02 39.55 3mma s PHE 257 CO 0.02 -2.70 0.17 0.34 -0.00 0.00 0.00 175.22 173.05 3mma s ASP 258 N 1.88 2.33 0.55 1.36 -1.08 -1.26 -5.04 116.67 115.40 3mma s ASP 258 Ca 0.66 -0.74 0.27 0.00 -0.52 0.00 0.00 52.55 52.22 3mma s ASP 258 Cb -0.34 0.03 1.46 0.00 -1.46 0.00 0.00 42.92 42.60 3mma s ASP 258 CO 0.28 -0.38 1.97 -0.65 0.52 0.00 0.00 175.17 176.91 3mma h PRO 259 N 8.36 0.00 0.00 4.34 0.11 -1.94 -0.22 132.00 142.65 3mma h PRO 259 Ca -0.17 0.00 -0.21 0.00 0.11 0.00 0.00 66.00 65.74 3mma h PRO 259 Cb 1.09 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.17 3mma h PRO 259 CO 0.34 0.00 -1.10 0.93 -0.21 0.00 0.00 178.00 177.96 3mma h GLU 260 N 0.00 0.00 0.00 1.05 4.39 -1.98 -3.38 114.58 114.66 3mma h GLU 260 Ca 0.25 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.95 3mma h GLU 260 Cb 1.09 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.74 3mma h GLU 260 CO -0.00 0.75 -1.04 0.09 -1.16 0.00 0.00 179.01 177.64 3mma n ASN 261 N -3.23 1.52 -4.77 1.42 5.03 -0.72 -4.92 115.26 109.59 3mma n ASN 261 Ca -0.04 -0.36 -0.40 0.00 0.87 0.00 0.00 54.58 54.65 3mma n ASN 261 Cb 0.92 1.27 -0.03 0.00 -1.02 0.00 0.00 39.78 40.93 3mma n ASN 261 CO 0.00 0.00 0.00 -1.81 -1.83 0.00 0.00 177.26 173.62 3mma s ASP 262 N -2.70 6.85 0.00 6.41 1.01 -0.17 -4.10 116.67 123.97 3mma s ASP 262 Ca -0.00 2.56 0.00 0.00 0.71 0.00 0.00 52.55 55.81 3mma s ASP 262 Cb 0.08 -2.64 0.00 0.00 1.01 0.00 0.00 42.92 41.37 3mma s ASP 262 CO 0.46 -0.46 0.00 0.61 0.21 0.00 0.00 175.17 175.99 3mma n GLY 263 N 0.87 2.60 3.18 0.21 0.00 -0.87 -3.85 105.19 107.33 3mma n GLY 263 Ca 0.00 -0.52 -0.22 0.00 0.00 0.00 0.00 46.02 45.28 3mma n GLY 263 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mma s ALA 264 N -1.00 1.38 0.15 4.61 0.00 -0.76 -0.67 121.76 125.47 3mma s ALA 264 Ca 0.00 -0.89 -0.04 0.00 0.00 0.00 0.00 51.96 51.03 3mma s ALA 264 Cb 0.00 -0.25 -0.05 0.00 0.00 0.00 0.00 23.12 22.82 3mma s ALA 264 CO 0.00 0.29 0.37 0.00 0.00 0.00 0.00 175.76 176.42 3mma s ALA 265 N -0.79 3.81 -0.17 0.00 0.00 0.61 -0.49 121.76 124.72 3mma s ALA 265 Ca 0.04 -0.62 -0.04 0.00 0.00 0.00 0.00 51.96 51.34 3mma s ALA 265 Cb -0.08 -2.09 -0.02 0.00 0.00 0.00 0.00 23.12 20.93 3mma s ALA 265 CO 0.01 0.64 -0.03 0.42 0.00 0.00 0.00 175.76 176.80 3mma s ILE 266 N -1.69 3.84 0.12 0.00 1.01 -0.35 -0.67 121.20 123.46 3mma s ILE 266 Ca 0.40 -0.37 0.11 0.00 0.00 0.00 0.00 60.65 60.79 3mma s ILE 266 Cb -0.12 -2.70 -0.04 0.00 0.01 0.00 0.00 42.46 39.61 3mma s ILE 266 CO 0.26 0.47 -0.26 -0.04 0.00 0.00 0.00 174.94 175.37 3mma s MET 267 N 0.62 1.49 0.31 2.79 -1.94 0.83 -0.80 119.30 122.60 3mma s MET 267 Ca -0.02 -1.30 0.04 0.00 -1.71 0.00 0.00 55.69 52.70 3mma s MET 267 Cb -0.14 -1.93 -0.03 0.00 2.01 0.00 0.00 34.83 34.73 3mma s MET 267 CO 0.02 0.46 0.19 0.14 -0.01 0.00 0.00 175.02 175.82 3mma s VAL 268 N -1.03 0.23 0.00 -6.03 -7.23 0.33 1.00 120.40 107.66 3mma s VAL 268 Ca 0.14 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.31 3mma s VAL 268 Cb -0.10 -2.49 0.00 0.00 0.56 0.00 0.00 36.38 34.35 3mma s VAL 268 CO 0.06 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.46 3mma n GLY 269 N -0.60 0.42 3.89 2.32 0.00 -1.12 -0.02 105.19 110.08 3mma n GLY 269 Ca 0.02 -0.81 -0.29 0.00 0.00 0.00 0.00 46.02 44.93 3mma n GLY 269 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3mma s GLY 270 N -2.74 1.61 -0.29 -0.02 0.00 0.12 -4.55 107.32 101.44 3mma s GLY 270 Ca 0.00 -0.53 -0.17 0.00 0.00 0.00 0.00 44.72 44.02 3mma s GLY 270 CO 0.00 -0.09 1.13 1.25 0.00 0.00 0.00 173.10 175.38 3mma s LYS 271 N -5.48 0.22 -0.22 2.90 2.20 -0.24 -3.85 119.74 115.27 3mma s LYS 271 Ca 0.60 0.37 0.02 0.00 -0.36 0.00 0.00 55.97 56.60 3mma s LYS 271 Cb -0.11 0.05 -0.15 0.00 -1.51 0.00 0.00 37.83 36.11 3mma s LYS 271 CO 0.50 -0.04 -0.19 1.28 -0.36 0.00 0.00 175.35 176.53 3mma n LEU 272 N 3.28 2.89 -4.80 5.43 4.77 -1.26 -1.63 117.00 125.68 3mma n LEU 272 Ca -0.17 -0.12 -0.30 0.00 -0.03 0.00 0.00 56.01 55.38 3mma n LEU 272 Cb 0.57 -0.75 0.08 0.00 -2.33 0.00 0.00 43.42 40.98 3mma n LEU 272 CO 0.04 0.87 0.71 -0.94 -1.33 0.00 0.00 177.39 176.74 3mma s SER 273 N -6.16 4.79 0.09 -1.43 1.04 -1.26 -4.65 113.70 106.12 3mma s SER 273 Ca -0.30 1.49 0.14 0.00 0.48 0.00 0.00 55.95 57.77 3mma s SER 273 Cb 0.08 -2.28 -0.12 0.00 0.10 0.00 0.00 66.02 63.79 3mma s SER 273 CO 0.53 -1.81 0.99 -0.33 0.98 0.00 0.00 173.24 173.60 3mma h GLU 274 N -0.97 0.00 -6.04 4.02 4.39 -1.95 -3.33 114.58 110.70 3mma h GLU 274 Ca -0.46 0.00 -0.81 0.00 0.34 0.00 0.00 59.36 58.43 3mma h GLU 274 Cb 1.24 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.89 3mma h GLU 274 CO 0.57 0.48 0.90 0.00 -1.16 0.00 0.00 179.01 179.80 3mma n ALA 275 N -2.39 -0.63 0.00 3.43 0.00 -1.26 -2.74 120.51 116.93 3mma n ALA 275 Ca -0.07 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.75 3mma n ALA 275 Cb 0.88 -2.07 0.00 0.00 0.00 0.00 0.00 19.45 18.26 3mma n ALA 275 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3mma n ARG 276 N 5.23 0.00 -3.98 0.00 1.74 -1.26 -4.81 116.66 113.58 3mma n ARG 276 Ca 0.34 0.00 -0.09 0.00 -0.77 0.00 0.00 57.85 57.33 3mma n ARG 276 Cb 0.01 0.00 -0.07 0.00 -1.02 0.00 0.00 32.46 31.38 3mma n ARG 276 CO 0.00 0.00 0.00 -0.98 -1.52 0.00 0.00 177.63 175.13 3mma s ARG 277 N 0.00 1.09 0.66 5.56 1.70 -1.11 -5.16 118.95 121.68 3mma s ARG 277 Ca 0.00 -1.19 -0.15 0.00 -0.47 0.00 0.00 55.73 53.91 3mma s ARG 277 Cb 0.00 0.35 -0.00 0.00 -0.57 0.00 0.00 34.95 34.73 3mma s ARG 277 CO 0.00 -0.38 1.12 -1.64 -1.08 0.00 0.00 175.30 173.32 3mma s MET 278 N -3.97 2.78 0.38 3.89 -1.94 -1.26 -4.42 119.30 114.75 3mma s MET 278 Ca 0.17 1.43 -0.25 0.00 -1.71 0.00 0.00 55.69 55.33 3mma s MET 278 Cb 0.04 -1.94 -0.12 0.00 2.01 0.00 0.00 34.83 34.82 3mma s MET 278 CO -0.01 -1.28 0.89 -2.30 -0.01 0.00 0.00 175.02 172.31 3mma n PRO 279 N -2.38 1.13 -3.89 2.03 -0.02 -1.25 -4.93 135.00 125.69 3mma n PRO 279 Ca 0.11 0.40 -0.11 0.00 -2.02 0.00 0.00 63.50 61.88 3mma n PRO 279 Cb 0.52 -1.83 -0.13 0.00 -0.02 0.00 0.00 33.50 32.03 3mma n PRO 279 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 3mma s GLU 280 N -1.76 0.07 0.50 -0.52 2.56 -0.65 -4.93 118.70 113.98 3mma s GLU 280 Ca 0.62 -0.13 -0.20 0.00 0.00 0.00 0.00 54.97 55.26 3mma s GLU 280 Cb -0.62 0.03 -0.08 0.00 2.00 0.00 0.00 34.13 35.46 3mma s GLU 280 CO 0.58 -0.01 1.05 -0.51 -0.56 0.00 0.00 175.26 175.81 3mma s LEU 281 N -0.32 3.80 0.67 2.70 1.43 -1.26 -1.08 118.68 124.61 3mma s LEU 281 Ca -0.04 1.96 -0.14 0.00 -1.03 0.00 0.00 54.13 54.89 3mma s LEU 281 Cb -0.02 -4.56 0.00 0.00 0.03 0.00 0.00 46.19 41.64 3mma s LEU 281 CO -0.00 -0.88 1.09 -0.44 0.23 0.00 0.00 176.35 176.35 3mma s SER 282 N -2.01 5.16 -0.03 2.29 0.01 0.13 -4.18 113.70 115.08 3mma s SER 282 Ca 0.68 1.90 0.03 0.00 1.31 0.00 0.00 55.95 59.86 3mma s SER 282 Cb -0.18 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.52 3mma s SER 282 CO 0.22 -1.59 -0.10 -0.54 0.41 0.00 0.00 173.24 171.64 3mma s LYS 283 N -4.32 1.11 0.06 12.44 1.02 0.97 -4.87 119.74 126.15 3mma s LYS 283 Ca 0.64 -0.34 -0.31 0.00 0.02 0.00 0.00 55.97 55.98 3mma s LYS 283 Cb -0.18 -1.01 -0.07 0.00 -0.52 0.00 0.00 37.83 36.04 3mma s LYS 283 CO 0.44 0.12 1.49 0.08 -0.92 0.00 0.00 175.35 176.56 3mma s VAL 284 N 0.22 3.32 0.00 3.17 1.01 -1.26 -0.51 120.40 126.34 3mma s VAL 284 Ca -0.04 0.82 0.00 0.00 0.00 0.00 0.00 61.98 62.76 3mma s VAL 284 Cb -0.10 -3.53 0.00 0.00 0.00 0.00 0.00 36.38 32.76 3mma s VAL 284 CO 0.01 0.02 0.06 1.33 0.00 0.00 0.00 175.10 176.52 3mma n VAL 285 N 4.44 0.00 -3.75 2.92 0.24 0.02 -4.90 118.33 117.30 3mma n VAL 285 Ca 0.14 -0.29 -0.26 0.00 -2.04 0.00 0.00 64.34 61.88 3mma n VAL 285 Cb 0.42 1.08 -0.17 0.00 -1.47 0.00 0.00 33.84 33.71 3mma n VAL 285 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 3mma s VAL 286 N -0.47 0.48 0.20 3.34 1.01 -0.87 -4.78 120.40 119.31 3mma s VAL 286 Ca 0.00 -0.34 -0.11 0.00 0.00 0.00 0.00 61.98 61.53 3mma s VAL 286 Cb 0.00 -0.87 0.12 0.00 0.00 0.00 0.00 36.38 35.63 3mma s VAL 286 CO 0.00 -0.05 1.85 -0.65 0.00 0.00 0.00 175.10 176.24 3mma h PRO 287 N 8.27 0.81 -1.90 2.72 0.11 -1.90 -0.93 132.00 139.18 3mma h PRO 287 Ca -0.18 -0.05 0.03 0.00 0.11 0.00 0.00 66.00 65.91 3mma h PRO 287 Cb 1.12 -0.18 -0.22 0.00 0.11 0.00 0.00 31.00 31.83 3mma h PRO 287 CO 0.32 0.53 0.12 -0.46 -0.21 0.00 0.00 178.00 178.30 3mma s TRP 288 N -6.13 -0.91 0.01 0.65 -0.00 -1.25 -4.03 118.94 107.28 3mma s TRP 288 Ca -0.13 1.88 0.05 0.00 -0.00 0.00 0.00 56.10 57.90 3mma s TRP 288 Cb 0.14 0.51 -0.02 0.00 -0.00 0.00 0.00 33.47 34.11 3mma s TRP 288 CO 0.76 -0.45 -0.15 0.14 -0.00 0.00 0.00 176.95 177.25 3mma s VAL 289 N 1.30 1.22 0.66 5.86 -7.23 0.35 -4.95 120.40 117.61 3mma s VAL 289 Ca -0.07 -0.84 -0.16 0.00 -1.81 0.00 0.00 61.98 59.10 3mma s VAL 289 Cb -0.05 -1.05 -0.00 0.00 0.56 0.00 0.00 36.38 35.84 3mma s VAL 289 CO -0.15 0.20 1.14 -2.16 -0.31 0.00 0.00 175.10 173.82 3mma s PRO 290 N -0.73 2.74 -0.11 4.82 0.04 -1.26 -1.83 135.00 138.66 3mma s PRO 290 Ca 0.05 1.52 -0.29 0.00 0.04 0.00 0.00 61.00 62.31 3mma s PRO 290 Cb -0.07 -1.93 -0.04 0.00 0.04 0.00 0.00 34.50 32.50 3mma s PRO 290 CO 0.00 -1.32 1.60 -0.80 0.04 0.00 0.00 177.00 176.52 3mma s ASN 291 N -2.32 6.62 -0.53 6.66 0.01 -1.25 -4.77 114.94 119.36 3mma s ASN 291 Ca 0.70 2.01 0.07 0.00 -0.71 0.00 0.00 52.86 54.93 3mma s ASN 291 Cb -0.23 -2.53 0.25 0.00 0.41 0.00 0.00 41.25 39.14 3mma s ASN 291 CO 0.40 -0.99 0.65 -0.62 -1.51 0.00 0.00 177.10 175.02 3mma n GLU 292 N 7.21 1.73 -1.77 -0.60 1.02 -1.26 -5.06 120.64 121.90 3mma n GLU 292 Ca 0.17 -4.03 -0.39 0.00 -0.02 0.00 0.00 57.16 52.89 3mma n GLU 292 Cb 0.44 -1.80 0.04 0.00 -0.02 0.00 0.00 31.44 30.10 3mma n GLU 292 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 3mma s PRO 293 N -1.90 3.26 0.00 3.49 0.04 -1.26 0.02 135.00 138.65 3mma s PRO 293 Ca 0.38 2.31 0.18 0.00 0.04 0.00 0.00 61.00 63.91 3mma s PRO 293 Cb 0.16 -2.36 -0.17 0.00 0.04 0.00 0.00 34.50 32.17 3mma s PRO 293 CO -0.05 -1.12 0.80 -0.35 0.04 0.00 0.00 177.00 176.32 3mma n PRO 294 N -0.82 1.04 0.01 0.56 -0.04 -1.26 -4.81 135.00 129.68 3mma n PRO 294 Ca 0.09 -0.12 0.11 0.00 -0.04 0.00 0.00 63.50 63.54 3mma n PRO 294 Cb 0.44 -1.36 -0.01 0.00 -0.04 0.00 0.00 33.50 32.53 3mma n PRO 294 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3mma n ARG 295 N -1.25 0.11 -4.12 0.54 5.12 -1.10 -4.83 116.66 111.13 3mma n ARG 295 Ca 0.04 -0.01 -0.36 0.00 -1.93 0.00 0.00 57.85 55.59 3mma n ARG 295 Cb 0.30 -1.52 -0.04 0.00 -1.16 0.00 0.00 32.46 30.04 3mma n ARG 295 CO 0.00 0.00 0.00 0.91 -1.93 0.00 0.00 177.63 176.61 3mma n TRP 296 N -1.66 -1.19 0.23 -1.55 8.01 0.10 -4.74 117.44 116.64 3mma n TRP 296 Ca 0.03 0.31 0.06 0.00 -1.31 0.00 0.00 57.50 56.60 3mma n TRP 296 Cb 0.37 -2.54 0.53 0.00 -2.01 0.00 0.00 31.31 27.67 3mma n TRP 296 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 177.69 175.33 3mma h PRO 297 N -1.86 0.00 -0.24 -0.99 0.11 -1.95 -0.53 132.00 126.55 3mma h PRO 297 Ca -0.63 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.38 3mma h PRO 297 Cb 1.28 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.39 3mma h PRO 297 CO 0.57 0.18 -0.24 1.15 -0.21 0.00 0.00 178.00 179.44 3mma h THR 298 N 0.00 1.32 0.32 -1.15 2.02 -1.91 -1.11 112.91 112.39 3mma h THR 298 Ca -0.00 -1.41 -0.02 0.00 0.77 0.00 0.00 66.41 65.75 3mma h THR 298 Cb 0.33 1.69 0.00 0.00 -1.74 0.00 0.00 68.15 68.43 3mma h THR 298 CO 0.02 0.44 -0.15 0.25 0.37 0.00 0.00 175.52 176.45 3mma h LEU 299 N 0.29 -0.36 -0.62 2.58 6.46 -1.69 -2.19 115.31 119.78 3mma h LEU 299 Ca 0.04 -0.09 0.08 0.00 -0.12 0.00 0.00 57.88 57.79 3mma h LEU 299 Cb 0.80 0.09 -0.07 0.00 -0.73 0.00 0.00 40.66 40.76 3mma h LEU 299 CO 0.06 -0.12 0.27 0.58 -0.62 0.00 0.00 178.44 178.61 3mma h VAL 300 N -0.59 0.83 -0.81 1.05 2.07 -1.16 -0.94 116.25 116.70 3mma h VAL 300 Ca -0.04 -0.17 -0.01 0.00 0.82 0.00 0.00 66.70 67.29 3mma h VAL 300 Cb 0.43 0.30 -0.04 0.00 -1.52 0.00 0.00 31.29 30.46 3mma h VAL 300 CO 0.07 0.09 0.45 0.50 0.02 0.00 0.00 177.57 178.70 3mma h LYS 301 N 0.49 1.13 -0.02 1.57 3.64 -1.17 -0.91 116.57 121.30 3mma h LYS 301 Ca 0.30 -0.13 -0.16 0.00 -1.27 0.00 0.00 60.65 59.39 3mma h LYS 301 Cb 0.32 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 31.90 3mma h LYS 301 CO -0.26 0.83 -0.72 1.88 -2.27 0.00 0.00 179.45 178.91 3mma h TYR 302 N 1.12 0.19 0.03 1.91 -1.99 -0.72 0.26 116.97 117.77 3mma h TYR 302 Ca 0.29 -0.09 -0.00 0.00 2.00 0.00 0.00 58.73 60.93 3mma h TYR 302 Cb 0.02 -0.03 0.00 0.00 2.00 0.00 0.00 36.73 38.72 3mma h TYR 302 CO 0.00 0.81 -0.01 0.28 -0.00 0.00 0.00 178.16 179.23 3mma h VAL 303 N 0.09 1.36 -0.18 -2.88 2.07 -1.05 -2.18 116.25 113.48 3mma h VAL 303 Ca -0.02 -1.32 0.05 0.00 0.82 0.00 0.00 66.70 66.24 3mma h VAL 303 Cb 1.27 2.23 -0.06 0.00 -1.52 0.00 0.00 31.29 33.21 3mma h VAL 303 CO 0.10 0.33 -0.19 0.50 0.02 0.00 0.00 177.57 178.34 3mma h LYS 304 N -0.62 -0.20 -0.38 1.57 3.64 -1.17 0.66 116.57 120.06 3mma h LYS 304 Ca -0.00 0.01 0.08 0.00 -1.27 0.00 0.00 60.65 59.47 3mma h LYS 304 Cb 0.57 0.05 -0.08 0.00 -0.41 0.00 0.00 32.23 32.36 3mma h LYS 304 CO 0.01 -0.14 -0.18 0.37 -2.27 0.00 0.00 179.45 177.24 3mma h GLN 305 N -0.21 -0.11 0.54 1.90 4.15 -0.51 0.34 115.11 121.21 3mma h GLN 305 Ca 0.12 0.01 -0.03 0.00 0.77 0.00 0.00 58.65 59.52 3mma h GLN 305 Cb 0.38 0.03 0.01 0.00 0.21 0.00 0.00 27.48 28.10 3mma h GLN 305 CO -0.30 -0.08 -0.26 0.82 -1.93 0.00 0.00 178.83 177.08 3mma h ILE 306 N -0.12 0.47 -0.68 2.39 2.04 -1.01 -1.10 117.51 119.50 3mma h ILE 306 Ca 0.19 -0.02 0.00 0.00 1.00 0.00 0.00 64.86 66.02 3mma h ILE 306 Cb 0.41 0.48 -0.03 0.00 -0.74 0.00 0.00 36.82 36.93 3mma h ILE 306 CO -0.45 0.00 0.43 0.25 0.00 0.00 0.00 178.15 178.38 3mma h LEU 307 N -0.74 0.79 -1.45 1.44 6.46 -0.42 -1.19 115.31 120.21 3mma h LEU 307 Ca -0.07 -0.04 -0.06 0.00 -0.12 0.00 0.00 57.88 57.59 3mma h LEU 307 Cb 0.56 -0.20 -0.01 0.00 -0.73 0.00 0.00 40.66 40.28 3mma h LEU 307 CO 0.12 0.59 -0.28 -0.33 -0.62 0.00 0.00 178.44 177.93 3mma h GLU 308 N 0.92 0.00 0.78 1.25 5.08 -0.33 0.68 114.58 122.95 3mma h GLU 308 Ca 0.25 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.57 3mma h GLU 308 Cb -0.07 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.19 3mma h GLU 308 CO -0.05 0.28 -0.37 0.00 -1.00 0.00 0.00 179.01 177.86 3mma h ALA 309 N 1.72 -1.05 -0.36 3.43 0.00 0.00 -2.58 119.26 120.42 3mma h ALA 309 Ca -0.00 -0.23 0.01 0.00 0.00 0.00 0.00 54.91 54.68 3mma h ALA 309 Cb 0.50 0.41 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 3mma h ALA 309 CO 0.04 -0.98 0.24 2.35 0.00 0.00 0.00 179.25 180.89 3mma h TRP 310 N -1.27 0.45 -0.67 0.00 7.01 -1.32 -1.69 115.95 118.45 3mma h TRP 310 Ca -0.11 0.01 0.12 0.00 2.11 0.00 0.00 58.89 61.02 3mma h TRP 310 Cb 0.81 -0.15 -0.13 0.00 -2.10 0.00 0.00 29.16 27.59 3mma h TRP 310 CO 0.00 0.28 -0.32 0.00 -2.79 0.00 0.00 178.44 175.61 3mma h ALA 311 N 1.14 0.08 -0.62 2.65 0.00 -0.97 0.14 119.26 121.68 3mma h ALA 311 Ca 0.14 0.20 0.10 0.00 0.00 0.00 0.00 54.91 55.35 3mma h ALA 311 Cb -0.04 0.78 -0.08 0.00 0.00 0.00 0.00 17.79 18.44 3mma h ALA 311 CO -0.04 -0.62 0.20 0.00 0.00 0.00 0.00 179.25 178.79 3mma h ALA 312 N 1.18 0.79 0.07 0.00 0.00 -0.88 -3.28 119.26 117.13 3mma h ALA 312 Ca 0.27 0.10 -0.35 0.00 0.00 0.00 0.00 54.91 54.93 3mma h ALA 312 Cb 0.56 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.41 3mma h ALA 312 CO -0.74 -0.23 -2.05 0.09 0.00 0.00 0.00 179.25 176.32 3mma n ASN 313 N -5.04 1.66 -4.73 0.00 4.13 -0.66 -5.00 115.26 105.62 3mma n ASN 313 Ca 0.09 0.18 -0.42 0.00 1.68 0.00 0.00 54.58 56.11 3mma n ASN 313 Cb 0.30 -0.46 -0.03 0.00 -1.54 0.00 0.00 39.78 38.06 3mma n ASN 313 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3mma s ALA 314 N -2.56 3.81 0.70 5.41 0.00 0.40 -4.98 121.76 124.53 3mma s ALA 314 Ca -0.20 1.47 -0.15 0.00 0.00 0.00 0.00 51.96 53.08 3mma s ALA 314 Cb 0.07 -3.64 0.02 0.00 0.00 0.00 0.00 23.12 19.57 3mma s ALA 314 CO 0.76 -0.85 1.17 -0.80 0.00 0.00 0.00 175.76 176.03 3mma s ASN 315 N 0.96 4.60 -0.38 0.00 0.01 -1.26 -4.82 114.94 114.03 3mma s ASN 315 Ca 0.69 2.22 -0.40 0.00 -0.71 0.00 0.00 52.86 54.66 3mma s ASN 315 Cb -0.46 -2.57 -0.16 0.00 0.41 0.00 0.00 41.25 38.47 3mma s ASN 315 CO 0.36 -1.98 1.97 1.17 -1.51 0.00 0.00 177.10 177.10 3mma n LYS 316 N -2.54 0.70 0.00 -0.60 4.81 -1.26 -1.16 118.16 118.11 3mma n LYS 316 Ca 0.12 0.22 0.00 0.00 -0.87 0.00 0.00 58.31 57.79 3mma n LYS 316 Cb 0.51 -1.99 0.00 0.00 0.02 0.00 0.00 35.03 33.57 3mma n LYS 316 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 3mma n HIS 317 N 7.14 0.00 -1.52 5.64 8.25 0.10 -4.99 115.22 129.84 3mma n HIS 317 Ca 0.39 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.45 3mma n HIS 317 Cb 0.09 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.12 3mma n HIS 317 CO 0.00 0.00 0.00 -1.91 0.64 0.00 0.00 176.34 175.07 3mma n GLU 318 N 0.00 0.67 -1.64 -0.41 2.13 -0.30 -4.54 120.64 116.54 3mma n GLU 318 Ca 0.00 0.04 -0.30 0.00 0.66 0.00 0.00 57.16 57.56 3mma n GLU 318 Cb 0.00 -2.60 0.21 0.00 0.27 0.00 0.00 31.44 29.32 3mma n GLU 318 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 3mma s ARG 319 N 8.23 -0.10 0.13 5.31 0.52 -1.26 -4.59 118.95 127.19 3mma s ARG 319 Ca 1.14 -0.33 -0.17 0.00 -0.52 0.00 0.00 55.73 55.85 3mma s ARG 319 Cb -0.67 -1.75 -0.02 0.00 0.52 0.00 0.00 34.95 33.03 3mma s ARG 319 CO 0.38 -2.92 1.73 1.25 0.02 0.00 0.00 175.30 175.76 3mma h LEU 320 N -2.01 0.45 -1.41 2.53 6.46 -1.92 0.22 115.31 119.63 3mma h LEU 320 Ca -0.44 -0.10 -0.06 0.00 -0.12 0.00 0.00 57.88 57.16 3mma h LEU 320 Cb 1.25 -0.11 -0.01 0.00 -0.73 0.00 0.00 40.66 41.06 3mma h LEU 320 CO 0.35 0.42 -0.30 -0.29 -0.62 0.00 0.00 178.44 178.00 3mma h ILE 321 N 0.44 1.19 -0.06 4.05 6.09 -1.85 -1.28 117.51 126.09 3mma h ILE 321 Ca 0.12 -1.03 -0.10 0.00 -1.37 0.00 0.00 64.86 62.49 3mma h ILE 321 Cb 0.08 1.56 0.00 0.00 0.47 0.00 0.00 36.82 38.93 3mma h ILE 321 CO -0.02 0.29 -0.35 -0.33 -3.07 0.00 0.00 178.15 174.68 3mma h GLU 322 N 0.00 0.34 -0.53 2.19 5.08 -1.75 -0.79 114.58 119.13 3mma h GLU 322 Ca -0.00 -0.29 0.09 0.00 -1.00 0.00 0.00 59.36 58.16 3mma h GLU 322 Cb 0.53 0.06 -0.10 0.00 0.50 0.00 0.00 28.75 29.74 3mma h GLU 322 CO 0.04 0.94 -0.40 2.35 -1.00 0.00 0.00 179.01 180.93 3mma h TRP 323 N -0.16 -1.17 -0.66 4.33 7.01 -0.39 -1.75 115.95 123.16 3mma h TRP 323 Ca -0.03 0.07 0.07 0.00 2.11 0.00 0.00 58.89 61.12 3mma h TRP 323 Cb 1.01 0.59 -0.06 0.00 -2.10 0.00 0.00 29.16 28.60 3mma h TRP 323 CO 0.13 -0.42 0.35 0.28 -2.79 0.00 0.00 178.44 175.99 3mma h VAL 324 N -0.24 0.93 -1.00 2.65 2.07 -1.09 0.24 116.25 119.81 3mma h VAL 324 Ca 0.18 -0.22 0.31 0.00 0.82 0.00 0.00 66.70 67.80 3mma h VAL 324 Cb 0.56 0.24 -0.15 0.00 -1.52 0.00 0.00 31.29 30.43 3mma h VAL 324 CO -0.65 0.11 0.57 0.44 0.02 0.00 0.00 177.57 178.07 3mma h ASP 325 N 0.63 0.54 0.00 0.57 3.32 -0.30 0.80 116.42 121.98 3mma h ASP 325 Ca 0.30 0.18 -0.00 0.00 0.02 0.00 0.00 57.03 57.54 3mma h ASP 325 Cb 0.24 0.12 -0.00 0.00 0.22 0.00 0.00 39.33 39.91 3mma h ASP 325 CO -0.21 -0.10 -0.04 -0.09 -1.72 0.00 0.00 179.24 177.08 3mma h ARG 326 N 0.36 0.00 0.00 3.56 2.43 0.08 -3.39 114.38 117.42 3mma h ARG 326 Ca 0.72 0.00 -0.11 0.00 -0.81 0.00 0.00 59.98 59.78 3mma h ARG 326 Cb 1.61 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 31.14 3mma h ARG 326 CO -0.59 0.02 -0.51 -0.84 -1.51 0.00 0.00 179.97 176.54 3mma h ILE 327 N -1.00 0.89 0.00 1.20 3.07 -0.81 -3.51 117.51 117.35 3mma h ILE 327 Ca -0.00 -2.23 0.00 0.00 1.55 0.00 0.00 64.86 64.18 3mma h ILE 327 Cb 0.05 2.42 0.00 0.00 -0.27 0.00 0.00 36.82 39.02 3mma h ILE 327 CO -0.00 0.50 0.00 0.61 -1.05 0.00 0.00 178.15 178.21 3mma n GLY 328 N 1.19 -1.45 0.15 0.16 0.00 0.28 -4.18 105.19 101.34 3mma n GLY 328 Ca 0.02 -1.57 0.03 0.00 0.00 0.00 0.00 46.02 44.49 3mma n GLY 328 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 3mma h TRP 329 N 0.00 0.00 0.06 1.61 4.06 -1.98 -2.49 115.95 117.22 3mma h TRP 329 Ca 0.00 0.00 0.01 0.00 2.06 0.00 0.00 58.89 60.96 3mma h TRP 329 Cb 0.00 0.00 -0.04 0.00 -1.00 0.00 0.00 29.16 28.12 3mma h TRP 329 CO 0.00 0.51 -0.38 0.93 -3.56 0.00 0.00 178.44 175.95 3mma h GLU 330 N 0.00 -0.50 0.00 0.49 3.07 -1.98 -1.83 114.58 113.84 3mma h GLU 330 Ca -0.01 0.03 -0.03 0.00 -0.50 0.00 0.00 59.36 58.86 3mma h GLU 330 Cb 1.17 0.11 -0.00 0.00 -0.84 0.00 0.00 28.75 29.19 3mma h GLU 330 CO 0.07 -0.33 -0.14 0.00 -1.40 0.00 0.00 179.01 177.21 3mma h ARG 331 N -0.52 0.00 -0.03 2.33 2.47 -1.72 -3.14 114.38 113.78 3mma h ARG 331 Ca -0.00 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.71 3mma h ARG 331 Cb 0.53 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.85 3mma h ARG 331 CO -0.22 0.14 0.00 0.35 0.56 0.00 0.00 179.97 180.80 3mma h PHE 332 N 0.00 0.05 0.00 3.04 3.57 -1.07 -2.16 116.94 120.37 3mma h PHE 332 Ca -0.00 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.45 3mma h PHE 332 Cb 0.45 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.17 3mma h PHE 332 CO 0.00 0.32 -0.20 0.74 -2.23 0.00 0.00 178.31 176.94 3mma h PHE 333 N -0.23 0.00 0.42 0.41 -1.00 -1.29 -1.73 116.94 113.52 3mma h PHE 333 Ca 0.01 0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.77 3mma h PHE 333 Cb 0.30 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.86 3mma h PHE 333 CO 0.02 0.20 -0.20 0.93 -1.61 0.00 0.00 178.31 177.65 3mma h GLU 334 N 0.00 -0.55 -0.84 1.51 5.08 -1.53 -2.10 114.58 116.16 3mma h GLU 334 Ca -0.00 0.04 0.03 0.00 -1.00 0.00 0.00 59.36 58.42 3mma h GLU 334 Cb 0.41 0.12 -0.05 0.00 0.50 0.00 0.00 28.75 29.74 3mma h GLU 334 CO 0.03 -0.36 0.55 -0.07 -1.00 0.00 0.00 179.01 178.15 3mma h LEU 335 N -1.14 0.91 -0.22 1.33 3.38 -1.34 -0.17 115.31 118.07 3mma h LEU 335 Ca -0.06 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.90 3mma h LEU 335 Cb 0.43 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.97 3mma h LEU 335 CO 0.10 0.63 0.00 0.71 0.09 0.00 0.00 178.44 179.97 3mma h THR 336 N 1.06 0.00 -0.84 0.22 1.35 -1.43 -3.47 112.91 109.80 3mma h THR 336 Ca 0.33 -0.52 -0.18 0.00 -0.55 0.00 0.00 66.41 65.49 3mma h THR 336 Cb -0.00 1.46 -0.04 0.00 -1.73 0.00 0.00 68.15 67.84 3mma h THR 336 CO -0.09 0.00 -0.20 0.61 -0.25 0.00 0.00 175.52 175.59 3mma n GLY 337 N 0.95 0.56 3.95 5.82 0.00 -0.08 -4.75 105.19 111.65 3mma n GLY 337 Ca 0.04 -0.57 -0.23 0.00 0.00 0.00 0.00 46.02 45.26 3mma n GLY 337 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3mma s LEU 338 N -2.31 4.17 -0.14 0.99 1.43 -0.84 -5.04 118.68 116.95 3mma s LEU 338 Ca 0.00 0.29 -0.06 0.00 -1.03 0.00 0.00 54.13 53.33 3mma s LEU 338 Cb 0.00 -3.10 -0.04 0.00 0.03 0.00 0.00 46.19 43.08 3mma s LEU 338 CO 0.00 -0.16 0.06 -0.70 0.23 0.00 0.00 176.35 175.78 3mma s GLU 339 N -4.02 3.54 -0.23 1.70 2.12 -1.26 -4.61 118.70 115.94 3mma s GLU 339 Ca 0.37 -0.31 -0.22 0.00 0.36 0.00 0.00 54.97 55.17 3mma s GLU 339 Cb -0.10 -3.08 -0.02 0.00 0.26 0.00 0.00 34.13 31.20 3mma s GLU 339 CO 0.32 0.53 0.70 0.12 -0.54 0.00 0.00 175.26 176.39 3mma s PHE 340 N -0.37 3.32 0.47 5.30 5.36 -1.26 -4.96 117.98 125.84 3mma s PHE 340 Ca 0.09 0.96 0.05 0.00 -0.96 0.00 0.00 56.93 57.07 3mma s PHE 340 Cb -0.12 -2.90 -0.03 0.00 -0.34 0.00 0.00 43.02 39.62 3mma s PHE 340 CO 0.02 -0.31 0.08 0.95 -1.46 0.00 0.00 175.22 174.50 3mma s THR 341 N 2.44 1.68 0.37 0.12 -4.23 -1.26 -5.03 115.64 109.73 3mma s THR 341 Ca 0.30 -1.89 0.31 0.00 -1.18 0.00 0.00 61.69 59.24 3mma s THR 341 Cb -0.16 -2.56 0.34 0.00 1.34 0.00 0.00 72.50 71.46 3mma s THR 341 CO 0.09 0.00 2.09 0.06 -0.54 0.00 0.00 174.62 176.32 3mma h GLN 342 N 1.42 0.00 -0.12 3.99 -0.00 -1.97 -2.58 115.11 115.86 3mma h GLN 342 Ca -0.43 0.00 0.03 0.00 -0.00 0.00 0.00 58.65 58.25 3mma h GLN 342 Cb 1.28 0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 28.76 3mma h GLN 342 CO 0.74 0.08 0.11 0.45 -0.00 0.00 0.00 178.83 180.21 3mma h HIS 343 N 0.00 0.00 -0.00 0.06 -0.00 -2.00 -1.20 115.15 112.00 3mma h HIS 343 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.37 3mma h HIS 343 Cb 0.34 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.75 3mma h HIS 343 CO 0.00 0.00 -0.09 1.28 -0.00 0.00 0.00 177.93 179.12 3mma n LEU 344 N -4.06 0.47 -4.60 2.43 4.32 -0.97 -4.73 117.00 109.85 3mma n LEU 344 Ca -0.00 -0.01 -0.42 0.00 -0.02 0.00 0.00 56.01 55.56 3mma n LEU 344 Cb 0.22 -0.16 -0.05 0.00 -1.62 0.00 0.00 43.42 41.80 3mma n LEU 344 CO 0.30 0.09 0.52 -0.63 -1.22 0.00 0.00 177.39 176.44 3mma s ILE 345 N -2.41 4.83 0.25 -0.08 1.01 -0.46 -4.98 121.20 119.36 3mma s ILE 345 Ca 0.31 1.02 -0.31 0.00 0.00 0.00 0.00 60.65 61.66 3mma s ILE 345 Cb 0.20 -4.11 -0.12 0.00 0.01 0.00 0.00 42.46 38.44 3mma s ILE 345 CO 0.46 -0.24 1.61 -0.67 0.00 0.00 0.00 174.94 176.10 3mma n ASP 346 N 6.13 3.69 -0.17 3.58 -0.08 -1.26 -4.89 116.55 123.54 3mma n ASP 346 Ca 0.02 1.11 0.00 0.00 -1.51 0.00 0.00 54.79 54.42 3mma n ASP 346 Cb 0.48 -1.55 0.00 0.00 2.34 0.00 0.00 41.12 42.40 3mma n ASP 346 CO 0.00 0.00 0.00 -0.90 0.12 0.00 0.00 177.20 176.42 3mma n ASP 347 N 2.86 0.18 -4.55 1.67 3.85 -1.26 -5.02 116.55 114.27 3mma n ASP 347 Ca 0.12 -1.46 -0.40 0.00 -0.71 0.00 0.00 54.79 52.34 3mma n ASP 347 Cb 0.35 -0.08 -0.03 0.00 -1.35 0.00 0.00 41.12 40.00 3mma n ASP 347 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 177.20 175.72 3mma s TYR 348 N -0.14 2.24 0.34 2.11 5.04 -1.26 -4.89 117.35 120.79 3mma s TYR 348 Ca 0.01 -0.08 0.20 0.00 -2.44 0.00 0.00 57.07 54.76 3mma s TYR 348 Cb 0.01 -4.56 1.00 0.00 0.35 0.00 0.00 41.96 38.77 3mma s TYR 348 CO 0.00 -2.07 1.91 0.00 -1.34 0.00 0.00 175.55 174.05 3mma h ARG 349 N 10.63 0.00 0.00 4.97 2.47 -1.95 -3.32 114.38 127.17 3mma h ARG 349 Ca -0.17 0.00 -0.17 0.00 -1.26 0.00 0.00 59.98 58.38 3mma h ARG 349 Cb 1.05 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 29.35 3mma h ARG 349 CO 1.30 0.26 -0.80 0.97 0.56 0.00 0.00 179.97 182.26 3mma h ILE 350 N 0.00 1.38 -2.96 2.04 2.10 -1.90 -3.44 117.51 114.73 3mma h ILE 350 Ca -0.00 -2.93 -0.53 0.00 1.08 0.00 0.00 64.86 62.48 3mma h ILE 350 Cb 0.57 2.67 0.04 0.00 -1.09 0.00 0.00 36.82 39.00 3mma h ILE 350 CO 0.03 0.78 0.80 -0.89 -1.08 0.00 0.00 178.15 177.79 3mma s THR 351 N -2.83 2.94 0.27 2.19 2.01 -1.25 -4.97 115.64 113.99 3mma s THR 351 Ca 0.02 0.68 -0.29 0.00 0.31 0.00 0.00 61.69 62.41 3mma s THR 351 Cb 0.09 -3.44 -0.09 0.00 0.01 0.00 0.00 72.50 69.07 3mma s THR 351 CO 0.79 0.06 0.99 -2.16 -0.69 0.00 0.00 174.62 173.60 3mma s PRO 352 N 0.97 4.73 0.32 4.92 0.04 -1.26 -4.95 135.00 139.77 3mma s PRO 352 Ca 0.66 1.55 0.03 0.00 0.04 0.00 0.00 61.00 63.28 3mma s PRO 352 Cb -0.40 -3.16 0.61 0.00 0.04 0.00 0.00 34.50 31.59 3mma s PRO 352 CO 0.32 0.38 1.90 -0.92 0.04 0.00 0.00 177.00 178.72 3mma h TYR 353 N 3.86 0.98 0.00 0.56 3.20 -1.95 -2.90 116.97 120.72 3mma h TYR 353 Ca -0.46 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.44 3mma h TYR 353 Cb 1.20 -0.32 0.00 0.00 1.54 0.00 0.00 36.73 39.15 3mma h TYR 353 CO 0.60 0.48 0.00 0.27 -1.64 0.00 0.00 178.16 177.87 3mma h PHE 354 N 0.93 0.00 -0.28 -3.82 -5.15 -2.01 -0.68 116.94 105.93 3mma h PHE 354 Ca 0.40 0.00 -0.08 0.00 -0.20 0.00 0.00 57.97 58.09 3mma h PHE 354 Cb 0.33 0.00 -0.02 0.00 0.22 0.00 0.00 35.95 36.48 3mma h PHE 354 CO -0.00 0.00 -0.17 -0.92 -2.00 0.00 0.00 178.31 175.22 3mma h TYR 355 N 0.00 0.53 0.00 6.09 3.20 -1.92 -2.32 116.97 122.56 3mma h TYR 355 Ca 0.00 -0.09 0.00 0.00 3.14 0.00 0.00 58.73 61.78 3mma h TYR 355 Cb 0.07 -0.14 0.00 0.00 1.54 0.00 0.00 36.73 38.20 3mma h TYR 355 CO 0.00 0.63 0.00 0.66 -1.64 0.00 0.00 178.16 177.81 3mma h SER 356 N 0.45 0.00 0.35 -2.11 4.64 -1.32 -1.37 113.55 114.19 3mma h SER 356 Ca 0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 3mma h SER 356 Cb 0.55 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.64 3mma h SER 356 CO 0.04 0.00 -1.01 -0.62 -0.87 0.00 0.00 176.83 174.37 3mma n GLU 357 N -2.47 0.23 -2.07 4.77 1.02 -0.88 -4.95 120.64 116.29 3mma n GLU 357 Ca -0.00 -0.01 -0.33 0.00 -0.02 0.00 0.00 57.16 56.79 3mma n GLU 357 Cb 0.13 -1.57 0.01 0.00 -0.02 0.00 0.00 31.44 29.99 3mma n GLU 357 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 3mma s PHE 358 N -3.16 2.90 -0.77 -0.32 0.08 -0.52 -4.98 117.98 111.21 3mma s PHE 358 Ca 0.05 1.53 -0.24 0.00 0.12 0.00 0.00 56.93 58.38 3mma s PHE 358 Cb 0.15 -3.07 0.06 0.00 -0.57 0.00 0.00 43.02 39.59 3mma s PHE 358 CO 0.81 -1.22 1.18 0.50 -0.10 0.00 0.00 175.22 176.38 3mma s ARG 359 N -3.91 3.26 -0.39 0.44 3.52 -1.26 -4.89 118.95 115.71 3mma s ARG 359 Ca 0.65 -0.72 -0.04 0.00 -0.13 0.00 0.00 55.73 55.50 3mma s ARG 359 Cb -0.18 -4.43 0.03 0.00 -1.56 0.00 0.00 34.95 28.81 3mma s ARG 359 CO 0.35 -2.01 2.83 0.00 -0.81 0.00 0.00 175.30 175.66 3mma n ALA 360 N 8.45 6.38 -3.46 6.12 0.00 -1.26 -4.88 120.51 131.86 3mma n ALA 360 Ca 0.07 -2.84 -0.14 0.00 0.00 0.00 0.00 53.44 50.53 3mma n ALA 360 Cb 0.48 -2.13 -0.03 0.00 0.00 0.00 0.00 19.45 17.77 3mma n ALA 360 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3mma s SER 361 N 0.53 -0.60 0.00 0.00 0.15 -1.26 -4.57 113.70 107.96 3mma s SER 361 Ca 0.58 0.26 0.28 0.00 0.70 0.00 0.00 55.95 57.77 3mma s SER 361 Cb 0.37 0.57 1.07 0.00 -1.71 0.00 0.00 66.02 66.32 3mma s SER 361 CO -0.19 -0.83 1.76 0.35 1.20 0.00 0.00 173.24 175.54 3mma n THR 362 N 0.09 0.00 -2.37 6.45 -2.24 -1.26 -4.88 114.28 110.07 3mma n THR 362 Ca -0.17 -0.08 -0.43 0.00 -2.27 0.00 0.00 64.05 61.10 3mma n THR 362 Cb 0.62 0.05 -0.02 0.00 -2.10 0.00 0.00 70.33 68.87 3mma n THR 362 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3mma s GLN 363 N -2.51 3.74 0.07 -0.78 -0.21 -1.26 -4.97 119.66 113.74 3mma s GLN 363 Ca 0.26 1.12 -0.27 0.00 0.02 0.00 0.00 55.36 56.50 3mma s GLN 363 Cb 0.20 -3.96 0.08 0.00 1.00 0.00 0.00 33.01 30.33 3mma s GLN 363 CO 0.50 -1.34 0.91 -0.59 -2.12 0.00 0.00 175.29 172.65 3mma s PHE 364 N 4.93 -0.25 0.10 0.91 -0.71 -1.26 -5.09 117.98 116.61 3mma s PHE 364 Ca 0.60 0.03 -0.09 0.00 -1.04 0.00 0.00 56.93 56.42 3mma s PHE 364 Cb -0.16 0.59 -0.06 0.00 -1.21 0.00 0.00 43.02 42.18 3mma s PHE 364 CO 0.28 -0.68 0.41 0.15 -1.34 0.00 0.00 175.22 174.04 3mma s LYS 365 N -3.21 3.76 0.00 1.99 1.02 -1.26 -5.29 119.74 116.75 3mma s LYS 365 Ca 0.08 0.17 0.31 0.00 0.02 0.00 0.00 55.97 56.55 3mma s LYS 365 Cb -0.01 -2.96 1.65 0.00 -0.52 0.00 0.00 37.83 35.98 3mma s LYS 365 CO -0.04 0.53 2.08 0.91 -0.92 0.00 0.00 175.35 177.92