#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a9b s VAL 13 N 0.00 2.12 -0.45 2.46 0.11 -1.26 -5.07 120.40 118.31 3a9b s VAL 13 Ca 0.00 -2.06 -0.27 0.00 -2.93 0.00 0.00 61.98 56.73 3a9b s VAL 13 Cb 0.00 -2.04 -0.05 0.00 -1.53 0.00 0.00 36.38 32.76 3a9b s VAL 13 CO 0.00 -0.27 2.24 0.21 -3.33 0.00 0.00 175.10 173.95 3a9b s ASN 14 N -2.84 4.86 0.21 3.54 3.84 -1.26 -4.84 114.94 118.46 3a9b s ASN 14 Ca 0.20 1.11 0.22 0.00 0.21 0.00 0.00 52.86 54.60 3a9b s ASN 14 Cb -0.06 -2.51 0.91 0.00 -0.55 0.00 0.00 41.25 39.04 3a9b s ASN 14 CO 0.09 -2.55 1.66 -0.81 -2.79 0.00 0.00 177.10 172.70 3a9b n PRO 15 N 8.96 0.16 0.21 0.43 -0.04 -1.26 -2.34 135.00 141.11 3a9b n PRO 15 Ca 0.32 0.40 0.10 0.00 -0.04 0.00 0.00 63.50 64.28 3a9b n PRO 15 Cb 0.52 -1.80 0.23 0.00 -0.04 0.00 0.00 33.50 32.41 3a9b n PRO 15 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 3a9b h TYR 16 N 0.00 0.00 -2.87 0.54 0.05 -1.89 -3.42 116.97 109.38 3a9b h TYR 16 Ca 0.00 0.00 -0.54 0.00 0.05 0.00 0.00 58.73 58.24 3a9b h TYR 16 Cb 0.33 0.00 0.01 0.00 1.01 0.00 0.00 36.73 38.08 3a9b h TYR 16 CO 0.00 0.14 0.85 0.42 -1.05 0.00 0.00 178.16 178.53 3a9b s ILE 17 N -3.26 3.51 0.00 -2.88 1.01 -0.99 -2.14 121.20 116.45 3a9b s ILE 17 Ca 0.05 0.94 0.00 0.00 0.00 0.00 0.00 60.65 61.64 3a9b s ILE 17 Cb 0.07 -3.60 0.00 0.00 0.01 0.00 0.00 42.46 38.93 3a9b s ILE 17 CO 0.67 0.01 0.00 0.61 0.00 0.00 0.00 174.94 176.23 3a9b n GLY 18 N 3.70 2.62 3.94 6.18 0.00 -1.26 -5.01 105.19 115.36 3a9b n GLY 18 Ca 0.13 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.91 3a9b n GLY 18 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3a9b s ARG 19 N -0.01 3.35 -0.42 1.61 0.52 -0.91 -4.61 118.95 118.48 3a9b s ARG 19 Ca 0.00 -0.28 0.01 0.00 -0.52 0.00 0.00 55.73 54.94 3a9b s ARG 19 Cb 0.00 -2.57 0.11 0.00 0.52 0.00 0.00 34.95 33.01 3a9b s ARG 19 CO 0.00 -0.07 0.17 -1.12 0.02 0.00 0.00 175.30 174.31 3a9b s SER 20 N -4.11 4.86 0.41 0.23 0.01 0.30 -4.97 113.70 110.43 3a9b s SER 20 Ca 0.44 -2.36 -0.26 0.00 1.31 0.00 0.00 55.95 55.08 3a9b s SER 20 Cb -0.10 -1.71 -0.10 0.00 0.21 0.00 0.00 66.02 64.32 3a9b s SER 20 CO 0.38 -0.39 1.34 -2.65 0.41 0.00 0.00 173.24 172.33 3a9b n PRO 21 N 4.04 2.16 -2.38 12.44 -0.02 -1.26 -1.74 135.00 148.24 3a9b n PRO 21 Ca 0.03 0.76 -0.42 0.00 -2.02 0.00 0.00 63.50 61.85 3a9b n PRO 21 Cb 0.39 -2.47 -0.03 0.00 -0.02 0.00 0.00 33.50 31.37 3a9b n PRO 21 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3a9b s LEU 22 N -1.82 4.37 0.01 2.45 2.96 0.05 -4.65 118.68 122.04 3a9b s LEU 22 Ca 0.59 2.07 -0.30 0.00 -0.22 0.00 0.00 54.13 56.26 3a9b s LEU 22 Cb -0.50 -3.58 -0.05 0.00 0.50 0.00 0.00 46.19 42.56 3a9b s LEU 22 CO 0.60 -0.50 1.28 -0.69 -1.32 0.00 0.00 176.35 175.71 3a9b s VAL 23 N 1.08 3.94 -0.57 1.68 1.01 -1.26 -3.88 120.40 122.39 3a9b s VAL 23 Ca 0.60 1.34 -0.25 0.00 0.00 0.00 0.00 61.98 63.66 3a9b s VAL 23 Cb -0.31 -3.86 0.04 0.00 0.00 0.00 0.00 36.38 32.25 3a9b s VAL 23 CO 0.29 0.04 1.03 -0.63 0.00 0.00 0.00 175.10 175.83 3a9b s ILE 24 N 1.83 4.25 0.32 2.22 -1.09 -1.26 -4.93 121.20 122.54 3a9b s ILE 24 Ca 0.60 0.43 0.01 0.00 -2.23 0.00 0.00 60.65 59.45 3a9b s ILE 24 Cb -0.29 -4.62 0.24 0.00 -1.58 0.00 0.00 42.46 36.21 3a9b s ILE 24 CO 0.26 -1.23 1.96 0.11 -1.23 0.00 0.00 174.94 174.81 3a9b h LYS 25 N 9.43 0.89 -0.18 2.79 1.57 -1.96 -0.92 116.57 128.19 3a9b h LYS 25 Ca -0.26 -0.08 -0.06 0.00 -1.87 0.00 0.00 60.65 58.38 3a9b h LYS 25 Cb 1.07 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 33.18 3a9b h LYS 25 CO 1.13 0.63 -0.16 0.66 -0.57 0.00 0.00 179.45 181.14 3a9b h SER 26 N 0.91 0.28 -0.05 0.86 4.64 -2.00 -1.35 113.55 116.83 3a9b h SER 26 Ca 0.24 -0.07 -0.04 0.00 -0.47 0.00 0.00 61.79 61.45 3a9b h SER 26 Cb -0.02 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 61.99 3a9b h SER 26 CO -0.04 0.47 -0.12 0.22 -0.87 0.00 0.00 176.83 176.48 3a9b h TYR 27 N 0.27 0.22 -0.96 4.77 3.20 -1.70 -3.25 116.97 119.52 3a9b h TYR 27 Ca 0.05 -0.08 0.13 0.00 3.14 0.00 0.00 58.73 61.97 3a9b h TYR 27 Cb 0.45 -0.04 -0.08 0.00 1.54 0.00 0.00 36.73 38.60 3a9b h TYR 27 CO 0.01 0.73 0.61 0.00 -1.64 0.00 0.00 178.16 177.87 3a9b h ALA 28 N 0.46 1.64 -0.36 1.82 0.00 -0.92 -1.36 119.26 120.53 3a9b h ALA 28 Ca -0.00 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 3a9b h ALA 28 Cb 0.72 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 3a9b h ALA 28 CO 0.03 0.11 0.11 0.93 0.00 0.00 0.00 179.25 180.42 3a9b h GLU 29 N 0.87 0.52 -0.15 0.00 5.08 -1.32 -2.34 114.58 117.24 3a9b h GLU 29 Ca 0.49 -0.08 -0.02 0.00 -1.00 0.00 0.00 59.36 58.75 3a9b h GLU 29 Cb 0.60 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 3a9b h GLU 29 CO -0.25 0.47 0.02 0.87 -1.00 0.00 0.00 179.01 179.11 3a9b h LYS 30 N 0.52 0.21 0.00 2.33 1.57 -1.27 -2.19 116.57 117.74 3a9b h LYS 30 Ca 0.12 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 3a9b h LYS 30 Cb 0.16 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.43 3a9b h LYS 30 CO -0.01 0.22 0.00 1.28 -0.57 0.00 0.00 179.45 180.37 3a9b n LEU 31 N -4.43 0.01 0.01 2.94 4.77 -0.88 -2.63 117.00 116.80 3a9b n LEU 31 Ca -0.01 0.50 0.05 0.00 -0.03 0.00 0.00 56.01 56.53 3a9b n LEU 31 Cb 0.15 -0.50 0.45 0.00 -2.33 0.00 0.00 43.42 41.19 3a9b n LEU 31 CO 0.36 -0.22 1.16 -0.33 -1.33 0.00 0.00 177.39 177.03 3a9b h GLU 32 N 0.00 0.48 -0.62 3.23 4.39 -1.50 -0.57 114.58 119.99 3a9b h GLU 32 Ca 0.00 -0.03 -0.05 0.00 0.34 0.00 0.00 59.36 59.62 3a9b h GLU 32 Cb 0.29 -0.11 -0.03 0.00 -0.10 0.00 0.00 28.75 28.80 3a9b h GLU 32 CO 0.00 0.32 0.17 1.49 -1.16 0.00 0.00 179.01 179.83 3a9b h GLU 33 N 0.50 0.95 -0.21 2.33 4.81 -1.72 -0.84 114.58 120.41 3a9b h GLU 33 Ca 0.15 -0.20 -0.13 0.00 -0.13 0.00 0.00 59.36 59.06 3a9b h GLU 33 Cb -0.00 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.24 3a9b h GLU 33 CO -0.03 0.83 -0.38 1.15 -0.73 0.00 0.00 179.01 179.85 3a9b h THR 34 N 0.92 1.33 -0.46 0.32 2.02 -1.42 -1.53 112.91 114.08 3a9b h THR 34 Ca 0.20 -1.60 0.05 0.00 0.77 0.00 0.00 66.41 65.84 3a9b h THR 34 Cb 0.29 1.83 -0.05 0.00 -1.74 0.00 0.00 68.15 68.49 3a9b h THR 34 CO -0.00 0.50 0.19 0.40 0.37 0.00 0.00 175.52 176.97 3a9b h ILE 35 N 0.30 0.89 -0.85 3.11 2.04 -1.01 -1.81 117.51 120.19 3a9b h ILE 35 Ca 0.01 -0.13 -0.03 0.00 1.00 0.00 0.00 64.86 65.72 3a9b h ILE 35 Cb 0.97 0.48 -0.04 0.00 -0.74 0.00 0.00 36.82 37.49 3a9b h ILE 35 CO 0.08 0.07 0.43 0.00 0.00 0.00 0.00 178.15 178.73 3a9b h ALA 36 N 1.28 1.10 0.00 1.87 0.00 -1.02 -0.63 119.26 121.86 3a9b h ALA 36 Ca 0.21 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 54.99 3a9b h ALA 36 Cb 0.18 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 3a9b h ALA 36 CO -0.19 0.64 -0.14 -0.92 0.00 0.00 0.00 179.25 178.64 3a9b h TYR 37 N 1.21 -0.36 -0.74 0.00 3.20 -0.92 -1.34 116.97 118.01 3a9b h TYR 37 Ca 0.30 0.01 -0.06 0.00 3.14 0.00 0.00 58.73 62.12 3a9b h TYR 37 Cb 0.09 0.16 -0.03 0.00 1.54 0.00 0.00 36.73 38.49 3a9b h TYR 37 CO 0.01 -0.21 0.23 0.74 -1.64 0.00 0.00 178.16 177.29 3a9b h PHE 38 N -0.24 1.19 -0.75 -3.82 0.04 -0.87 -2.03 116.94 110.46 3a9b h PHE 38 Ca 0.05 -0.12 0.03 0.00 2.80 0.00 0.00 57.97 60.73 3a9b h PHE 38 Cb 0.30 -0.35 -0.05 0.00 2.20 0.00 0.00 35.95 38.06 3a9b h PHE 38 CO -0.20 0.94 0.47 0.93 -0.60 0.00 0.00 178.31 179.86 3a9b h GLU 39 N 1.10 0.90 0.00 1.51 5.08 -0.99 -0.73 114.58 121.44 3a9b h GLU 39 Ca 0.24 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.51 3a9b h GLU 39 Cb 0.31 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 29.35 3a9b h GLU 39 CO -0.01 0.59 -0.15 0.00 -1.00 0.00 0.00 179.01 178.45 3a9b h ALA 40 N 1.32 1.19 -0.00 3.43 0.00 -0.71 -1.49 119.26 123.00 3a9b h ALA 40 Ca 0.30 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3a9b h ALA 40 Cb 0.02 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3a9b h ALA 40 CO -0.11 0.18 -0.05 1.04 0.00 0.00 0.00 179.25 180.31 3a9b n GLN 41 N -3.55 0.71 -2.74 0.00 1.13 -0.72 -4.91 117.38 107.30 3a9b n GLN 41 Ca -0.01 -0.15 -0.13 0.00 -1.94 0.00 0.00 57.00 54.77 3a9b n GLN 41 Cb 0.29 -1.50 0.02 0.00 0.11 0.00 0.00 30.24 29.17 3a9b n GLN 41 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3a9b n GLY 42 N 1.23 0.02 2.95 1.08 0.00 -0.56 -4.99 105.19 104.91 3a9b n GLY 42 Ca 0.16 -0.25 -0.30 0.00 0.00 0.00 0.00 46.02 45.63 3a9b n GLY 42 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3a9b s ASP 43 N -2.88 4.92 0.27 1.61 -1.08 -0.36 -4.93 116.67 114.23 3a9b s ASP 43 Ca 0.19 -3.64 0.10 0.00 -0.52 0.00 0.00 52.55 48.68 3a9b s ASP 43 Cb -0.08 -1.69 0.36 0.00 -1.46 0.00 0.00 42.92 40.05 3a9b s ASP 43 CO 0.24 -0.14 1.62 -0.33 0.52 0.00 0.00 175.17 177.08 3a9b h GLU 44 N 5.76 0.04 -0.04 4.34 4.39 -1.92 -2.18 114.58 124.97 3a9b h GLU 44 Ca 0.10 -0.03 -0.00 0.00 0.34 0.00 0.00 59.36 59.77 3a9b h GLU 44 Cb 0.80 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.45 3a9b h GLU 44 CO 0.73 0.63 0.01 1.25 -1.16 0.00 0.00 179.01 180.47 3a9b h LEU 45 N 0.03 0.05 -0.98 1.33 5.85 -1.96 -0.34 115.31 119.30 3a9b h LEU 45 Ca -0.01 -0.19 -0.11 0.00 0.84 0.00 0.00 57.88 58.42 3a9b h LEU 45 Cb 1.07 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 42.07 3a9b h LEU 45 CO 0.08 0.23 -0.49 0.78 -0.34 0.00 0.00 178.44 178.70 3a9b h ASN 46 N -0.13 0.05 -0.58 1.25 -0.26 -1.95 0.83 115.58 114.80 3a9b h ASN 46 Ca 0.01 -0.02 0.02 0.00 -0.56 0.00 0.00 56.30 55.75 3a9b h ASN 46 Cb 0.19 -0.01 -0.03 0.00 -1.06 0.00 0.00 38.32 37.41 3a9b h ASN 46 CO -0.00 0.53 0.37 0.00 -1.06 0.00 0.00 177.43 177.27 3a9b h ALA 47 N 1.47 0.75 -0.20 -0.83 0.00 -1.25 -1.06 119.26 118.14 3a9b h ALA 47 Ca -0.00 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.76 3a9b h ALA 47 Cb 0.88 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 3a9b h ALA 47 CO 0.07 0.12 -0.40 0.00 0.00 0.00 0.00 179.25 179.04 3a9b h ALA 48 N 1.24 0.95 -0.41 0.00 0.00 -0.53 -1.80 119.26 118.71 3a9b h ALA 48 Ca 0.23 -0.43 -0.07 0.00 0.00 0.00 0.00 54.91 54.64 3a9b h ALA 48 Cb -0.02 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 3a9b h ALA 48 CO -0.08 0.62 -0.05 0.00 0.00 0.00 0.00 179.25 179.74 3a9b h ARG 49 N 0.37 0.68 -0.38 0.00 3.08 -0.63 -1.58 114.38 115.93 3a9b h ARG 49 Ca 0.03 -0.19 -0.12 0.00 0.07 0.00 0.00 59.98 59.78 3a9b h ARG 49 Cb 0.86 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.82 3a9b h ARG 49 CO 0.07 0.73 -0.25 1.15 -1.07 0.00 0.00 179.97 180.61 3a9b h THR 50 N 0.63 1.27 -0.91 2.04 2.02 -0.82 -1.61 112.91 115.53 3a9b h THR 50 Ca 0.12 -1.37 0.04 0.00 0.77 0.00 0.00 66.41 65.98 3a9b h THR 50 Cb 0.47 1.25 -0.06 0.00 -1.74 0.00 0.00 68.15 68.08 3a9b h THR 50 CO 0.02 0.45 0.59 0.03 0.37 0.00 0.00 175.52 176.98 3a9b h ARG 51 N 0.66 1.08 -0.41 6.66 3.08 -1.02 -1.20 114.38 123.23 3a9b h ARG 51 Ca 0.09 -0.07 0.06 0.00 0.07 0.00 0.00 59.98 60.13 3a9b h ARG 51 Cb 0.76 -0.24 -0.05 0.00 0.08 0.00 0.00 29.97 30.52 3a9b h ARG 51 CO 0.06 0.72 0.12 1.15 -1.07 0.00 0.00 179.97 180.95 3a9b h THR 52 N 1.11 0.84 -0.87 2.04 2.02 -0.73 -2.25 112.91 115.08 3a9b h THR 52 Ca 0.37 -0.09 0.05 0.00 0.77 0.00 0.00 66.41 67.51 3a9b h THR 52 Cb 0.06 0.54 -0.05 0.00 -1.74 0.00 0.00 68.15 66.96 3a9b h THR 52 CO -0.14 0.05 0.57 0.58 0.37 0.00 0.00 175.52 176.95 3a9b h VAL 53 N 0.27 1.10 -0.38 3.16 2.07 -0.46 -0.82 116.25 121.20 3a9b h VAL 53 Ca 0.19 -0.35 0.11 0.00 0.82 0.00 0.00 66.70 67.47 3a9b h VAL 53 Cb 0.20 -0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 29.94 3a9b h VAL 53 CO -0.22 0.19 0.29 1.56 0.02 0.00 0.00 177.57 179.41 3a9b h GLN 54 N 1.03 0.00 -0.18 1.57 4.20 -0.63 -1.07 115.11 120.03 3a9b h GLN 54 Ca 0.36 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.07 3a9b h GLN 54 Cb 0.11 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.89 3a9b h GLN 54 CO -0.12 0.00 0.00 0.41 -0.67 0.00 0.00 178.83 178.45 3a9b n GLY 55 N -1.59 0.52 3.68 3.46 0.00 -0.32 -4.76 105.19 106.17 3a9b n GLY 55 Ca 0.06 -0.49 -0.38 0.00 0.00 0.00 0.00 46.02 45.21 3a9b n GLY 55 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3a9b s ILE 56 N -1.78 5.21 0.50 -0.61 1.01 -0.41 -4.92 121.20 120.20 3a9b s ILE 56 Ca 0.34 0.71 -0.22 0.00 0.00 0.00 0.00 60.65 61.48 3a9b s ILE 56 Cb 0.19 -3.73 -0.06 0.00 0.01 0.00 0.00 42.46 38.87 3a9b s ILE 56 CO 0.28 0.27 1.20 -2.16 0.00 0.00 0.00 174.94 174.53 3a9b s PRO 57 N 1.21 3.51 0.29 2.79 0.04 -1.26 -4.80 135.00 136.77 3a9b s PRO 57 Ca 0.19 1.85 0.02 0.00 0.04 0.00 0.00 61.00 63.10 3a9b s PRO 57 Cb -0.15 -2.28 -0.05 0.00 0.04 0.00 0.00 34.50 32.06 3a9b s PRO 57 CO 0.08 -0.78 0.09 0.95 0.04 0.00 0.00 177.00 177.38 3a9b s THR 58 N -1.53 0.69 0.22 1.26 -4.23 -1.25 -4.41 115.64 106.39 3a9b s THR 58 Ca 0.68 -2.00 -0.20 0.00 -1.18 0.00 0.00 61.69 58.99 3a9b s THR 58 Cb -0.30 -2.65 -0.08 0.00 1.34 0.00 0.00 72.50 70.80 3a9b s THR 58 CO 0.36 0.00 0.72 -0.36 -0.54 0.00 0.00 174.62 174.80 3a9b s PHE 59 N -3.61 3.65 -0.23 3.99 0.40 -0.86 -4.65 117.98 116.68 3a9b s PHE 59 Ca 0.37 1.39 -0.14 0.00 -0.60 0.00 0.00 56.93 57.94 3a9b s PHE 59 Cb 0.08 -2.62 -0.04 0.00 0.51 0.00 0.00 43.02 40.95 3a9b s PHE 59 CO 0.15 0.34 0.33 0.00 0.70 0.00 0.00 175.22 176.74 3a9b s ALA 60 N -1.51 3.57 -0.10 5.36 0.00 -0.28 -4.77 121.76 124.04 3a9b s ALA 60 Ca 0.43 -0.68 -0.17 0.00 0.00 0.00 0.00 51.96 51.53 3a9b s ALA 60 Cb -0.17 -2.57 -0.05 0.00 0.00 0.00 0.00 23.12 20.34 3a9b s ALA 60 CO 0.21 -0.35 0.45 -1.58 0.00 0.00 0.00 175.76 174.50 3a9b s TRP 61 N 1.40 3.55 -0.88 0.00 0.52 -1.26 -1.09 118.94 121.18 3a9b s TRP 61 Ca 0.15 0.89 -0.03 0.00 0.02 0.00 0.00 56.10 57.14 3a9b s TRP 61 Cb -0.15 -2.49 0.22 0.00 -1.15 0.00 0.00 33.47 29.90 3a9b s TRP 61 CO 0.07 0.27 0.77 0.42 0.02 0.00 0.00 176.95 178.50 3a9b s ILE 62 N 0.27 4.43 -2.55 2.03 -1.09 0.59 -4.89 121.20 119.99 3a9b s ILE 62 Ca 0.25 -3.71 0.23 0.00 -2.23 0.00 0.00 60.65 55.19 3a9b s ILE 62 Cb -0.15 -3.75 0.40 0.00 -1.58 0.00 0.00 42.46 37.37 3a9b s ILE 62 CO 0.10 -1.07 1.39 -1.20 -1.23 0.00 0.00 174.94 172.94 3a9b n SER 63 N 2.51 3.36 -3.83 3.58 7.64 -1.26 -2.41 113.62 123.21 3a9b n SER 63 Ca 0.20 -1.99 -0.07 0.00 1.01 0.00 0.00 58.87 58.03 3a9b n SER 63 Cb 0.37 -0.21 -0.02 0.00 -1.01 0.00 0.00 64.21 63.34 3a9b n SER 63 CO 0.00 0.00 0.00 1.51 -3.01 0.00 0.00 175.04 173.54 3a9b s ASP 64 N -1.56 -0.26 0.23 6.43 1.47 -1.26 -4.72 116.67 117.00 3a9b s ASP 64 Ca 0.37 -0.55 -0.00 0.00 1.18 0.00 0.00 52.55 53.55 3a9b s ASP 64 Cb 0.22 0.69 0.25 0.00 -0.34 0.00 0.00 42.92 43.74 3a9b s ASP 64 CO 0.32 -1.26 1.60 0.28 0.68 0.00 0.00 175.17 176.79 3a9b h SER 65 N 2.00 0.54 -0.72 2.11 0.02 -1.97 -2.98 113.55 112.54 3a9b h SER 65 Ca -0.20 -0.24 0.08 0.00 -0.84 0.00 0.00 61.79 60.59 3a9b h SER 65 Cb 1.25 -0.15 -0.05 0.00 0.14 0.00 0.00 62.40 63.59 3a9b h SER 65 CO 0.24 0.89 0.47 0.00 -1.14 0.00 0.00 176.83 177.29 3a9b h ALA 66 N 1.14 1.78 0.00 3.77 0.00 -2.01 -1.54 119.26 122.40 3a9b h ALA 66 Ca 0.04 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3a9b h ALA 66 Cb 0.90 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.53 3a9b h ALA 66 CO 0.08 0.09 0.00 1.15 0.00 0.00 0.00 179.25 180.57 3a9b h THR 67 N 0.68 0.00 -0.51 0.00 2.02 -1.92 -2.13 112.91 111.05 3a9b h THR 67 Ca 0.32 -0.28 0.10 0.00 0.77 0.00 0.00 66.41 67.33 3a9b h THR 67 Cb 0.37 1.06 -0.03 0.00 -1.74 0.00 0.00 68.15 67.81 3a9b h THR 67 CO -0.11 0.00 0.35 0.40 0.37 0.00 0.00 175.52 176.53 3a9b h ILE 68 N 0.00 0.86 0.00 3.11 2.04 -1.39 -1.05 117.51 121.08 3a9b h ILE 68 Ca 0.00 -0.08 -0.00 0.00 1.00 0.00 0.00 64.86 65.78 3a9b h ILE 68 Cb 0.39 0.60 -0.00 0.00 -0.74 0.00 0.00 36.82 37.07 3a9b h ILE 68 CO 0.00 0.04 -0.00 0.44 0.00 0.00 0.00 178.15 178.63 3a9b h ASP 69 N 0.24 0.00 1.13 1.72 3.32 -1.56 -1.59 116.42 119.67 3a9b h ASP 69 Ca 0.24 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.29 3a9b h ASP 69 Cb 0.63 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.18 3a9b h ASP 69 CO -0.05 0.00 -0.25 0.35 -1.72 0.00 0.00 179.24 177.57 3a9b n THR 70 N -3.18 0.39 -0.02 0.35 -2.24 -0.40 -4.36 114.28 104.81 3a9b n THR 70 Ca -0.03 -0.22 -0.13 0.00 -2.27 0.00 0.00 64.05 61.40 3a9b n THR 70 Cb 0.08 -0.35 -0.09 0.00 -2.10 0.00 0.00 70.33 67.86 3a9b n THR 70 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 3a9b h ILE 71 N 0.00 1.39 -0.48 2.28 2.04 -1.40 -2.17 117.51 119.17 3a9b h ILE 71 Ca 0.00 -1.20 -0.03 0.00 1.00 0.00 0.00 64.86 64.63 3a9b h ILE 71 Cb 0.69 2.12 -0.02 0.00 -0.74 0.00 0.00 36.82 38.87 3a9b h ILE 71 CO 0.00 0.32 0.19 -0.61 0.00 0.00 0.00 178.15 178.05 3a9b h GLN 72 N -0.39 0.71 -0.80 2.37 5.75 -1.76 0.17 115.11 121.15 3a9b h GLN 72 Ca 0.00 -0.13 0.03 0.00 -0.15 0.00 0.00 58.65 58.40 3a9b h GLN 72 Cb 0.54 -0.11 -0.04 0.00 1.07 0.00 0.00 27.48 28.93 3a9b h GLN 72 CO 0.01 0.65 0.53 -1.35 -2.65 0.00 0.00 178.83 176.01 3a9b h PRO 73 N 0.63 1.00 -0.29 -2.39 0.11 -1.79 0.61 132.00 129.88 3a9b h PRO 73 Ca 0.16 -0.06 0.02 0.00 0.11 0.00 0.00 66.00 66.23 3a9b h PRO 73 Cb 0.20 -0.22 -0.02 0.00 0.11 0.00 0.00 31.00 31.06 3a9b h PRO 73 CO -0.01 0.66 0.14 1.25 -0.21 0.00 0.00 178.00 179.83 3a9b h LEU 74 N 1.03 0.21 -0.42 2.35 5.85 -0.87 -1.53 115.31 121.93 3a9b h LEU 74 Ca 0.31 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 59.04 3a9b h LEU 74 Cb -0.02 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 40.96 3a9b h LEU 74 CO -0.08 0.16 0.23 0.40 -0.34 0.00 0.00 178.44 178.81 3a9b h ILE 75 N 0.30 1.15 -0.57 4.05 2.04 -0.53 0.22 117.51 124.18 3a9b h ILE 75 Ca 0.12 -0.40 0.02 0.00 1.00 0.00 0.00 64.86 65.60 3a9b h ILE 75 Cb 0.03 0.65 -0.03 0.00 -0.74 0.00 0.00 36.82 36.73 3a9b h ILE 75 CO -0.08 0.16 0.36 0.00 0.00 0.00 0.00 178.15 178.59 3a9b h ALA 76 N 1.09 0.73 -0.62 1.87 0.00 -0.74 0.70 119.26 122.29 3a9b h ALA 76 Ca 0.15 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 3a9b h ALA 76 Cb 0.05 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 3a9b h ALA 76 CO -0.02 0.11 0.37 -0.44 0.00 0.00 0.00 179.25 179.26 3a9b h ASP 77 N 0.72 0.75 -0.51 0.00 3.32 -1.11 -1.58 116.42 118.01 3a9b h ASP 77 Ca 0.22 -0.07 -0.02 0.00 0.02 0.00 0.00 57.03 57.19 3a9b h ASP 77 Cb -0.02 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.31 3a9b h ASP 77 CO -0.08 0.59 0.25 0.00 -1.72 0.00 0.00 179.24 178.29 3a9b h ALA 78 N 1.18 0.66 -0.44 3.45 0.00 -0.35 -0.25 119.26 123.52 3a9b h ALA 78 Ca 0.22 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 3a9b h ALA 78 Cb -0.01 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 3a9b h ALA 78 CO -0.04 0.21 0.21 0.28 0.00 0.00 0.00 179.25 179.92 3a9b h VAL 79 N 0.68 1.18 -0.76 0.00 2.07 -0.70 0.54 116.25 119.26 3a9b h VAL 79 Ca 0.18 -0.50 0.02 0.00 0.82 0.00 0.00 66.70 67.22 3a9b h VAL 79 Cb 0.10 0.71 -0.04 0.00 -1.52 0.00 0.00 31.29 30.54 3a9b h VAL 79 CO -0.02 0.19 0.49 0.00 0.02 0.00 0.00 177.57 178.25 3a9b h ALA 80 N 1.06 0.98 -0.53 1.67 0.00 -1.04 0.33 119.26 121.73 3a9b h ALA 80 Ca 0.15 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 3a9b h ALA 80 Cb 0.11 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 3a9b h ALA 80 CO -0.02 0.31 0.18 1.25 0.00 0.00 0.00 179.25 180.98 3a9b h HIS 81 N 0.97 0.83 -0.49 0.00 6.17 -0.79 -0.50 115.15 121.34 3a9b h HIS 81 Ca 0.29 -0.07 0.02 0.00 0.71 0.00 0.00 60.37 61.32 3a9b h HIS 81 Cb -0.03 -0.24 -0.03 0.00 2.52 0.00 0.00 27.41 29.62 3a9b h HIS 81 CO -0.03 0.70 0.29 0.37 0.71 0.00 0.00 177.93 179.97 3a9b h GLN 82 N 0.72 0.56 -0.32 5.26 4.15 -0.32 0.12 115.11 125.28 3a9b h GLN 82 Ca 0.17 -0.03 -0.01 0.00 0.77 0.00 0.00 58.65 59.55 3a9b h GLN 82 Cb 0.24 -0.13 -0.02 0.00 0.21 0.00 0.00 27.48 27.79 3a9b h GLN 82 CO -0.01 0.37 0.18 0.93 -1.93 0.00 0.00 178.83 178.37 3a9b h GLU 83 N 0.58 0.44 -0.31 1.69 4.39 -0.76 -0.41 114.58 120.20 3a9b h GLU 83 Ca 0.20 -0.05 -0.05 0.00 0.34 0.00 0.00 59.36 59.79 3a9b h GLU 83 Cb 0.02 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.57 3a9b h GLU 83 CO -0.09 0.37 -0.02 0.00 -1.16 0.00 0.00 179.01 178.11 3a9b h ALA 84 N 1.05 0.42 0.00 3.43 0.00 -0.78 -3.33 119.26 120.04 3a9b h ALA 84 Ca 0.11 -0.25 -0.17 0.00 0.00 0.00 0.00 54.91 54.61 3a9b h ALA 84 Cb 0.05 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 3a9b h ALA 84 CO -0.02 0.19 -1.45 -1.13 0.00 0.00 0.00 179.25 176.84 3a9b n SER 85 N -4.53 0.81 0.00 0.00 3.41 0.40 -4.97 113.62 108.73 3a9b n SER 85 Ca -0.02 0.35 0.00 0.00 -0.26 0.00 0.00 58.87 58.94 3a9b n SER 85 Cb 0.28 0.24 0.00 0.00 -0.26 0.00 0.00 64.21 64.47 3a9b n SER 85 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3a9b n GLY 86 N 1.40 0.49 3.81 5.00 0.00 -0.17 -5.04 105.19 110.69 3a9b n GLY 86 Ca -0.10 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.61 3a9b n GLY 86 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3a9b s GLU 87 N -0.29 2.70 -0.74 1.61 2.02 -1.25 -5.01 118.70 117.75 3a9b s GLU 87 Ca 0.00 0.88 -0.17 0.00 0.02 0.00 0.00 54.97 55.69 3a9b s GLU 87 Cb 0.00 -1.97 0.14 0.00 0.10 0.00 0.00 34.13 32.41 3a9b s GLU 87 CO 0.00 -1.25 0.81 -0.65 0.02 0.00 0.00 175.26 174.20 3a9b s GLN 88 N -5.07 3.33 0.14 1.61 -0.21 -1.26 -4.79 119.66 113.41 3a9b s GLN 88 Ca 0.59 -1.77 -0.30 0.00 0.02 0.00 0.00 55.36 53.89 3a9b s GLN 88 Cb -0.14 -4.47 -0.07 0.00 1.00 0.00 0.00 33.01 29.33 3a9b s GLN 88 CO 0.55 -1.51 1.24 0.08 -2.12 0.00 0.00 175.29 173.52 3a9b s VAL 89 N 1.91 3.63 -0.29 1.09 1.01 -1.26 -0.54 120.40 125.95 3a9b s VAL 89 Ca 0.18 1.28 0.02 0.00 0.00 0.00 0.00 61.98 63.46 3a9b s VAL 89 Cb -0.16 -3.82 0.07 0.00 0.00 0.00 0.00 36.38 32.47 3a9b s VAL 89 CO -0.02 0.16 -0.04 -0.22 0.00 0.00 0.00 175.10 174.98 3a9b s LEU 90 N 0.34 3.93 -0.16 3.92 2.96 -0.71 -2.62 118.68 126.35 3a9b s LEU 90 Ca 0.57 -1.60 -0.27 0.00 -0.22 0.00 0.00 54.13 52.61 3a9b s LEU 90 Cb -0.33 -1.61 -0.01 0.00 0.50 0.00 0.00 46.19 44.75 3a9b s LEU 90 CO 0.34 -0.26 0.89 -0.69 -1.32 0.00 0.00 176.35 175.31 3a9b s VAL 91 N 1.07 4.84 -0.25 1.68 1.01 0.23 -0.77 120.40 128.21 3a9b s VAL 91 Ca -0.03 1.77 -0.08 0.00 0.00 0.00 0.00 61.98 63.65 3a9b s VAL 91 Cb -0.20 -4.20 -0.03 0.00 0.00 0.00 0.00 36.38 31.95 3a9b s VAL 91 CO -0.05 0.00 0.08 -1.10 0.00 0.00 0.00 175.10 174.03 3a9b s GLN 92 N 2.19 3.70 0.09 2.72 -0.21 -1.26 -0.90 119.66 126.00 3a9b s GLN 92 Ca 0.41 -0.45 0.07 0.00 0.02 0.00 0.00 55.36 55.41 3a9b s GLN 92 Cb -0.17 -3.35 -0.03 0.00 1.00 0.00 0.00 33.01 30.46 3a9b s GLN 92 CO 0.13 -0.16 -0.19 -0.51 -2.12 0.00 0.00 175.29 172.45 3a9b s LEU 93 N 1.54 2.28 -0.14 2.90 1.43 -0.35 -1.12 118.68 125.22 3a9b s LEU 93 Ca 0.06 -0.65 0.00 0.00 -1.03 0.00 0.00 54.13 52.52 3a9b s LEU 93 Cb -0.15 -0.78 -0.01 0.00 0.03 0.00 0.00 46.19 45.28 3a9b s LEU 93 CO 0.04 0.03 -0.15 -0.69 0.23 0.00 0.00 176.35 175.81 3a9b s VAL 94 N -1.15 2.80 -0.29 -1.59 1.01 -0.25 -0.87 120.40 120.05 3a9b s VAL 94 Ca 0.04 -0.74 -0.13 0.00 0.00 0.00 0.00 61.98 61.15 3a9b s VAL 94 Cb -0.10 -2.17 -0.04 0.00 0.00 0.00 0.00 36.38 34.07 3a9b s VAL 94 CO 0.03 0.52 0.29 -0.63 0.00 0.00 0.00 175.10 175.32 3a9b s ILE 95 N 0.59 5.23 -0.44 2.22 1.01 -0.39 -0.30 121.20 129.12 3a9b s ILE 95 Ca -0.09 0.29 0.05 0.00 0.00 0.00 0.00 60.65 60.90 3a9b s ILE 95 Cb -0.16 -3.66 0.19 0.00 0.01 0.00 0.00 42.46 38.84 3a9b s ILE 95 CO 0.03 0.14 0.48 0.00 0.00 0.00 0.00 174.94 175.59 3a9b n TYR 96 N 5.23 -1.72 -2.06 3.97 9.36 -1.01 -0.37 117.16 130.54 3a9b n TYR 96 Ca -0.11 -2.77 -0.05 0.00 3.32 0.00 0.00 57.90 58.29 3a9b n TYR 96 Cb 0.51 0.57 -0.05 0.00 -0.63 0.00 0.00 39.34 39.73 3a9b n TYR 96 CO 0.00 0.00 0.00 -1.71 0.22 0.00 0.00 176.86 175.37 3a9b n ASN 97 N 2.66 -0.68 -4.59 2.98 5.15 -1.26 -4.31 115.26 115.22 3a9b n ASN 97 Ca 0.25 -1.94 -0.37 0.00 -0.60 0.00 0.00 54.58 51.91 3a9b n ASN 97 Cb 0.51 0.20 0.06 0.00 -0.53 0.00 0.00 39.78 40.02 3a9b n ASN 97 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 3a9b n LEU 98 N 0.06 3.19 -4.77 1.20 4.77 -1.26 -4.73 117.00 115.47 3a9b n LEU 98 Ca -0.22 0.77 -0.37 0.00 -0.03 0.00 0.00 56.01 56.16 3a9b n LEU 98 Cb 0.75 -1.35 -0.00 0.00 -2.33 0.00 0.00 43.42 40.48 3a9b n LEU 98 CO -0.12 -2.12 0.83 -2.16 -1.33 0.00 0.00 177.39 172.49 3a9b s PRO 99 N -2.73 3.58 -1.52 3.23 0.04 -1.26 -2.31 135.00 134.04 3a9b s PRO 99 Ca 0.75 1.77 -0.11 0.00 0.04 0.00 0.00 61.00 63.45 3a9b s PRO 99 Cb -0.41 -2.28 0.08 0.00 0.04 0.00 0.00 34.50 31.93 3a9b s PRO 99 CO 0.48 -0.70 0.82 -0.25 0.04 0.00 0.00 177.00 177.39 3a9b n ASP 100 N -0.77 -3.28 -4.62 6.66 9.92 -0.31 -4.83 116.55 119.32 3a9b n ASP 100 Ca 0.09 -0.87 -0.38 0.00 -0.53 0.00 0.00 54.79 53.10 3a9b n ASP 100 Cb 0.49 -3.56 0.05 0.00 -0.64 0.00 0.00 41.12 37.45 3a9b n ASP 100 CO 0.00 0.00 0.00 -1.14 0.13 0.00 0.00 177.20 176.19 3a9b n ARG 101 N -4.52 0.97 -3.55 -1.24 0.63 -0.98 -3.59 116.66 104.38 3a9b n ARG 101 Ca -0.06 0.37 -0.21 0.00 -0.92 0.00 0.00 57.85 57.04 3a9b n ARG 101 Cb 0.57 -2.17 0.05 0.00 0.45 0.00 0.00 32.46 31.36 3a9b n ARG 101 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 3a9b n ASP 102 N -0.64 -3.05 0.28 6.15 8.00 -1.26 -4.77 116.55 121.26 3a9b n ASP 102 Ca 0.13 -0.78 0.13 0.00 0.71 0.00 0.00 54.79 54.98 3a9b n ASP 102 Cb 0.46 -4.43 0.82 0.00 -0.02 0.00 0.00 41.12 37.95 3a9b n ASP 102 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3a9b n ALA 104 N -2.40 3.01 -1.87 0.00 0.00 -1.26 -4.20 120.51 113.79 3a9b n ALA 104 Ca -0.03 -0.38 -0.35 0.00 0.00 0.00 0.00 53.44 52.68 3a9b n ALA 104 Cb 0.10 -1.17 -0.07 0.00 0.00 0.00 0.00 19.45 18.31 3a9b n ALA 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3a9b s ALA 105 N -2.49 3.18 0.38 0.00 0.00 -0.41 -4.96 121.76 117.46 3a9b s ALA 105 Ca 0.25 0.38 0.05 0.00 0.00 0.00 0.00 51.96 52.64 3a9b s ALA 105 Cb 0.19 -3.08 0.74 0.00 0.00 0.00 0.00 23.12 20.98 3a9b s ALA 105 CO 0.51 0.19 2.02 -0.22 0.00 0.00 0.00 175.76 178.26 3a9b h LYS 106 N 2.59 0.70 -3.60 0.00 3.64 -1.91 -3.43 116.57 114.57 3a9b h LYS 106 Ca -0.48 -0.04 -0.18 0.00 -1.27 0.00 0.00 60.65 58.68 3a9b h LYS 106 Cb 1.18 -0.16 -0.24 0.00 -0.41 0.00 0.00 32.23 32.60 3a9b h LYS 106 CO 0.63 0.46 -0.60 0.00 -2.27 0.00 0.00 179.45 177.68 3a9b s ALA 107 N -5.63 -0.19 -0.00 5.00 0.00 -1.26 -5.15 121.76 114.53 3a9b s ALA 107 Ca -0.09 -0.01 0.04 0.00 0.00 0.00 0.00 51.96 51.90 3a9b s ALA 107 Cb 0.18 -0.03 -0.01 0.00 0.00 0.00 0.00 23.12 23.26 3a9b s ALA 107 CO 0.75 -0.11 -0.14 0.45 0.00 0.00 0.00 175.76 176.71 3a9b s SER 108 N -0.62 1.65 0.00 0.00 0.15 -1.26 -5.02 113.70 108.59 3a9b s SER 108 Ca -0.07 -0.29 0.20 0.00 0.70 0.00 0.00 55.95 56.48 3a9b s SER 108 Cb -0.04 -0.17 0.56 0.00 -1.71 0.00 0.00 66.02 64.66 3a9b s SER 108 CO 0.00 0.14 1.45 -0.90 1.20 0.00 0.00 173.24 175.14 3a9b n ASP 109 N 2.56 2.41 -4.67 5.45 5.75 -1.26 -4.93 116.55 121.86 3a9b n ASP 109 Ca -0.15 -1.87 -0.45 0.00 -0.01 0.00 0.00 54.79 52.31 3a9b n ASP 109 Cb 0.55 -0.20 -0.03 0.00 -1.03 0.00 0.00 41.12 40.41 3a9b n ASP 109 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3a9b n GLY 110 N 1.27 0.75 0.02 6.12 0.00 -1.26 -4.89 105.19 107.20 3a9b n GLY 110 Ca 0.17 0.49 0.13 0.00 0.00 0.00 0.00 46.02 46.80 3a9b n GLY 110 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3a9b n GLU 111 N 1.94 0.05 -4.21 1.61 0.28 -1.26 -4.83 120.64 114.22 3a9b n GLU 111 Ca 0.11 0.03 -0.35 0.00 -0.16 0.00 0.00 57.16 56.79 3a9b n GLU 111 Cb 0.32 -1.55 -0.10 0.00 1.43 0.00 0.00 31.44 31.54 3a9b n GLU 111 CO 0.00 0.00 0.00 -0.06 -0.16 0.00 0.00 177.13 176.91 3a9b s PHE 112 N -3.03 3.22 -0.04 -1.84 0.08 -1.26 -5.08 117.98 110.03 3a9b s PHE 112 Ca 0.12 0.12 0.03 0.00 0.12 0.00 0.00 56.93 57.32 3a9b s PHE 112 Cb 0.17 -1.92 0.00 0.00 -0.57 0.00 0.00 43.02 40.71 3a9b s PHE 112 CO 0.62 0.33 -0.13 -1.01 -0.10 0.00 0.00 175.22 174.93 3a9b s HIS 113 N -0.35 1.38 0.36 0.36 3.76 -1.26 -1.16 115.29 118.38 3a9b s HIS 113 Ca 0.08 -0.41 0.07 0.00 -0.15 0.00 0.00 55.06 54.65 3a9b s HIS 113 Cb -0.12 -0.96 0.77 0.00 1.11 0.00 0.00 32.58 33.38 3a9b s HIS 113 CO 0.02 -0.17 1.92 -0.07 -0.85 0.00 0.00 174.74 175.59 3a9b h LEU 114 N 6.48 0.66 0.00 0.89 3.38 -1.91 0.47 115.31 125.28 3a9b h LEU 114 Ca -0.32 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.67 3a9b h LEU 114 Cb 1.18 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.81 3a9b h LEU 114 CO 0.48 0.39 0.00 -0.90 0.09 0.00 0.00 178.44 178.50 3a9b n ASP 115 N -4.51 0.00 -2.71 -0.43 5.68 -1.26 -3.26 116.55 110.06 3a9b n ASP 115 Ca 0.14 -0.81 -0.23 0.00 -0.50 0.00 0.00 54.79 53.39 3a9b n ASP 115 Cb 0.34 -0.04 -0.01 0.00 -1.14 0.00 0.00 41.12 40.27 3a9b n ASP 115 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 3a9b n ASP 116 N -1.04 3.77 -2.39 -1.12 2.03 -0.04 -4.94 116.55 112.82 3a9b n ASP 116 Ca 0.21 -3.49 -0.21 0.00 0.52 0.00 0.00 54.79 51.83 3a9b n ASP 116 Cb 0.12 -0.52 -0.01 0.00 -0.72 0.00 0.00 41.12 40.00 3a9b n ASP 116 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 3a9b n ASP 117 N -0.27 -5.91 -0.15 1.67 2.03 -1.20 -4.65 116.55 108.07 3a9b n ASP 117 Ca 0.31 -0.01 -0.01 0.00 0.52 0.00 0.00 54.79 55.60 3a9b n ASP 117 Cb 0.61 -4.92 0.24 0.00 -0.72 0.00 0.00 41.12 36.32 3a9b n ASP 117 CO 0.00 0.00 0.00 1.23 -1.92 0.00 0.00 177.20 176.51 3a9b h GLY 118 N 0.00 0.92 0.93 0.27 0.00 -1.12 -1.40 103.07 102.67 3a9b h GLY 118 Ca -0.49 -0.43 -0.03 0.00 0.00 0.00 0.00 47.33 46.38 3a9b h GLY 118 CO 0.59 0.41 0.13 0.00 0.00 0.00 0.00 176.54 177.67 3a9b h ALA 119 N 1.46 0.49 -0.39 3.60 0.00 -1.84 0.31 119.26 122.90 3a9b h ALA 119 Ca 0.21 -0.15 -0.12 0.00 0.00 0.00 0.00 54.91 54.85 3a9b h ALA 119 Cb 0.09 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3a9b h ALA 119 CO -0.03 0.12 -0.26 -0.91 0.00 0.00 0.00 179.25 178.17 3a9b h ASN 120 N 0.46 0.83 -0.34 0.00 2.35 -1.91 -2.15 115.58 114.81 3a9b h ASN 120 Ca 0.12 -0.31 -0.07 0.00 -0.55 0.00 0.00 56.30 55.49 3a9b h ASN 120 Cb 0.23 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.35 3a9b h ASN 120 CO -0.01 1.04 -0.01 0.11 -1.65 0.00 0.00 177.43 176.91 3a9b h LYS 121 N 0.69 0.72 -0.37 0.81 1.57 -1.11 -2.11 116.57 116.77 3a9b h LYS 121 Ca 0.09 -0.19 -0.05 0.00 -1.87 0.00 0.00 60.65 58.63 3a9b h LYS 121 Cb 0.79 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.99 3a9b h LYS 121 CO 0.06 0.74 0.03 -0.92 -0.57 0.00 0.00 179.45 178.80 3a9b h TYR 122 N 0.67 0.68 -0.63 -1.35 3.20 -0.69 -0.75 116.97 118.09 3a9b h TYR 122 Ca 0.13 -0.11 0.08 0.00 3.14 0.00 0.00 58.73 61.97 3a9b h TYR 122 Cb 0.43 -0.18 -0.06 0.00 1.54 0.00 0.00 36.73 38.46 3a9b h TYR 122 CO 0.02 0.70 0.30 0.00 -1.64 0.00 0.00 178.16 177.54 3a9b h ARG 123 N 0.46 0.53 -0.42 1.82 3.08 -1.17 -0.32 114.38 118.37 3a9b h ARG 123 Ca 0.11 -0.03 -0.08 0.00 0.07 0.00 0.00 59.98 60.05 3a9b h ARG 123 Cb 0.41 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.32 3a9b h ARG 123 CO 0.01 0.35 -0.08 0.00 -1.07 0.00 0.00 179.97 179.18 3a9b h ALA 124 N 1.38 1.09 -0.39 0.04 0.00 -1.10 0.59 119.26 120.86 3a9b h ALA 124 Ca 0.30 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3a9b h ALA 124 Cb 0.28 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 3a9b h ALA 124 CO -0.24 0.57 0.26 -0.92 0.00 0.00 0.00 179.25 178.92 3a9b h TYR 125 N 0.66 0.50 -0.65 0.00 3.20 -0.61 -0.08 116.97 119.98 3a9b h TYR 125 Ca 0.12 0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.01 3a9b h TYR 125 Cb 0.52 -0.17 -0.03 0.00 1.54 0.00 0.00 36.73 38.59 3a9b h TYR 125 CO 0.02 0.31 0.43 0.28 -1.64 0.00 0.00 178.16 177.57 3a9b h VAL 126 N 0.53 1.15 -0.54 1.81 2.07 -0.57 -1.70 116.25 119.00 3a9b h VAL 126 Ca 0.14 -0.30 -0.02 0.00 0.82 0.00 0.00 66.70 67.35 3a9b h VAL 126 Cb -0.06 0.21 -0.03 0.00 -1.52 0.00 0.00 31.29 29.89 3a9b h VAL 126 CO -0.03 0.16 0.26 0.44 0.02 0.00 0.00 177.57 178.41 3a9b h ASP 127 N 0.86 0.69 -0.57 0.57 3.32 -0.44 0.18 116.42 121.03 3a9b h ASP 127 Ca 0.25 -0.07 -0.11 0.00 0.02 0.00 0.00 57.03 57.12 3a9b h ASP 127 Cb -0.07 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.28 3a9b h ASP 127 CO -0.07 0.59 -0.06 0.03 -1.72 0.00 0.00 179.24 178.02 3a9b h ARG 128 N 0.76 1.05 -0.36 3.56 3.08 -0.62 -1.75 114.38 120.10 3a9b h ARG 128 Ca 0.19 -0.36 -0.02 0.00 0.07 0.00 0.00 59.98 59.86 3a9b h ARG 128 Cb 0.09 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.04 3a9b h ARG 128 CO -0.02 1.05 0.14 0.82 -1.07 0.00 0.00 179.97 180.89 3a9b h ILE 129 N 0.94 1.19 -0.60 2.04 2.04 -0.38 -2.79 117.51 119.95 3a9b h ILE 129 Ca 0.16 -0.58 0.09 0.00 1.00 0.00 0.00 64.86 65.53 3a9b h ILE 129 Cb 0.62 0.90 -0.07 0.00 -0.74 0.00 0.00 36.82 37.53 3a9b h ILE 129 CO 0.04 0.21 0.23 0.58 0.00 0.00 0.00 178.15 179.20 3a9b h VAL 130 N 0.44 0.78 -0.75 1.67 2.07 -0.53 -0.57 116.25 119.37 3a9b h VAL 130 Ca 0.12 -0.14 0.04 0.00 0.82 0.00 0.00 66.70 67.54 3a9b h VAL 130 Cb 0.19 0.33 -0.05 0.00 -1.52 0.00 0.00 31.29 30.24 3a9b h VAL 130 CO -0.01 0.07 0.46 0.00 0.02 0.00 0.00 177.57 178.11 3a9b h ALA 131 N 1.41 0.99 -0.11 1.67 0.00 -1.17 -1.54 119.26 120.50 3a9b h ALA 131 Ca 0.30 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 55.11 3a9b h ALA 131 Cb 0.36 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3a9b h ALA 131 CO -0.30 0.22 -0.35 0.93 0.00 0.00 0.00 179.25 179.75 3a9b h GLU 132 N 0.87 0.21 -0.31 0.00 4.39 -1.01 -2.64 114.58 116.10 3a9b h GLU 132 Ca 0.31 -0.09 0.00 0.00 0.34 0.00 0.00 59.36 59.92 3a9b h GLU 132 Cb 0.08 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.72 3a9b h GLU 132 CO -0.14 0.54 0.00 1.28 -1.16 0.00 0.00 179.01 179.54 3a9b n LEU 133 N -4.08 1.55 -0.02 1.33 4.32 -0.32 -3.88 117.00 115.90 3a9b n LEU 133 Ca -0.01 -0.78 0.01 0.00 -0.02 0.00 0.00 56.01 55.21 3a9b n LEU 133 Cb 0.43 -0.21 0.02 0.00 -1.62 0.00 0.00 43.42 42.04 3a9b n LEU 133 CO 0.41 0.37 0.47 -1.20 -1.22 0.00 0.00 177.39 176.22 3a9b n SER 134 N 0.31 1.73 -4.82 -1.43 7.64 -0.68 -4.67 113.62 111.71 3a9b n SER 134 Ca 0.09 -2.01 -0.30 0.00 1.01 0.00 0.00 58.87 57.67 3a9b n SER 134 Cb 0.25 -0.06 0.09 0.00 -1.01 0.00 0.00 64.21 63.49 3a9b n SER 134 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3a9b s THR 135 N -1.08 2.81 0.27 0.44 -4.23 -1.24 -4.86 115.64 107.76 3a9b s THR 135 Ca 0.04 0.26 -0.02 0.00 -1.18 0.00 0.00 61.69 60.80 3a9b s THR 135 Cb 0.04 -3.07 0.27 0.00 1.34 0.00 0.00 72.50 71.08 3a9b s THR 135 CO 0.00 -0.35 1.88 0.00 -0.54 0.00 0.00 174.62 175.62 3a9b h ALA 136 N -1.11 1.43 -0.37 3.99 0.00 -1.96 -1.22 119.26 120.01 3a9b h ALA 136 Ca -0.47 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.38 3a9b h ALA 136 Cb 1.28 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 3a9b h ALA 136 CO 0.61 0.41 0.07 -0.44 0.00 0.00 0.00 179.25 179.90 3a9b h ASP 137 N 1.15 0.58 -0.98 0.00 3.32 -1.96 -2.94 116.42 115.58 3a9b h ASP 137 Ca 0.44 -0.25 0.06 0.00 0.02 0.00 0.00 57.03 57.29 3a9b h ASP 137 Cb 0.21 -0.15 -0.06 0.00 0.22 0.00 0.00 39.33 39.54 3a9b h ASP 137 CO -0.18 0.69 0.63 0.00 -1.72 0.00 0.00 179.24 178.65 3a9b h ALA 138 N 0.92 1.35 -0.05 3.45 0.00 -1.69 -1.82 119.26 121.41 3a9b h ALA 138 Ca 0.11 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.01 3a9b h ALA 138 Cb 0.35 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 3a9b h ALA 138 CO 0.01 0.43 0.08 -0.44 0.00 0.00 0.00 179.25 179.32 3a9b h ASP 139 N 1.15 0.00 1.39 0.00 3.32 -1.06 -1.39 116.42 119.84 3a9b h ASP 139 Ca 0.42 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.47 3a9b h ASP 139 Cb 0.14 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.69 3a9b h ASP 139 CO -0.17 0.00 0.00 0.11 -1.72 0.00 0.00 179.24 177.46 3a9b h LYS 140 N 0.00 0.00 -6.10 3.56 1.57 -1.29 -3.47 116.57 110.84 3a9b h LYS 140 Ca 0.02 0.00 -0.52 0.00 -1.87 0.00 0.00 60.65 58.28 3a9b h LYS 140 Cb 0.18 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.45 3a9b h LYS 140 CO -0.00 0.00 -0.38 -0.51 -0.57 0.00 0.00 179.45 177.99 3a9b s LEU 141 N -4.69 3.23 0.12 2.94 1.43 -0.52 -4.93 118.68 116.25 3a9b s LEU 141 Ca 0.09 -0.88 0.09 0.00 -1.03 0.00 0.00 54.13 52.39 3a9b s LEU 141 Cb 0.11 -1.80 -0.04 0.00 0.03 0.00 0.00 46.19 44.49 3a9b s LEU 141 CO 0.57 -0.73 -0.16 -2.28 0.23 0.00 0.00 176.35 173.98 3a9b s HIS 142 N -2.55 2.58 -0.00 0.29 5.65 -1.08 -4.83 115.29 115.35 3a9b s HIS 142 Ca 0.45 -0.24 0.06 0.00 0.25 0.00 0.00 55.06 55.58 3a9b s HIS 142 Cb -0.02 -1.36 -0.02 0.00 -1.18 0.00 0.00 32.58 30.00 3a9b s HIS 142 CO 0.26 0.40 -0.18 -0.06 -0.65 0.00 0.00 174.74 174.51 3a9b s PHE 143 N -1.18 1.63 -0.18 3.88 0.08 0.30 -0.61 117.98 121.90 3a9b s PHE 143 Ca 0.19 -0.32 0.01 0.00 0.12 0.00 0.00 56.93 56.93 3a9b s PHE 143 Cb -0.11 -1.04 0.02 0.00 -0.57 0.00 0.00 43.02 41.32 3a9b s PHE 143 CO 0.11 -0.01 -0.19 0.45 -0.10 0.00 0.00 175.22 175.48 3a9b s SER 144 N -0.54 3.23 -0.12 1.36 0.15 -0.08 -0.92 113.70 116.78 3a9b s SER 144 Ca 0.07 -0.63 0.01 0.00 0.70 0.00 0.00 55.95 56.10 3a9b s SER 144 Cb -0.07 -1.50 0.02 0.00 -1.71 0.00 0.00 66.02 62.76 3a9b s SER 144 CO -0.00 0.00 -0.12 -0.63 1.20 0.00 0.00 173.24 173.69 3a9b s ILE 145 N 1.28 1.35 -0.09 6.45 1.01 -0.40 -1.21 121.20 129.58 3a9b s ILE 145 Ca 0.04 -0.52 -0.23 0.00 0.00 0.00 0.00 60.65 59.95 3a9b s ILE 145 Cb -0.13 -1.28 -0.03 0.00 0.01 0.00 0.00 42.46 41.02 3a9b s ILE 145 CO -0.12 0.42 0.70 -0.69 0.00 0.00 0.00 174.94 175.25 3a9b s VAL 146 N 1.37 5.04 -0.37 2.92 1.01 -0.05 -0.81 120.40 129.49 3a9b s VAL 146 Ca 0.01 1.42 -0.12 0.00 0.00 0.00 0.00 61.98 63.28 3a9b s VAL 146 Cb -0.13 -4.03 0.02 0.00 0.00 0.00 0.00 36.38 32.23 3a9b s VAL 146 CO -0.07 0.22 0.23 -0.76 0.00 0.00 0.00 175.10 174.73 3a9b s LEU 147 N 1.00 4.74 -0.72 3.92 1.43 0.08 -1.26 118.68 127.87 3a9b s LEU 147 Ca 0.36 -0.88 -0.01 0.00 -1.03 0.00 0.00 54.13 52.57 3a9b s LEU 147 Cb -0.17 -2.06 0.00 0.00 0.03 0.00 0.00 46.19 43.98 3a9b s LEU 147 CO 0.17 -0.37 0.69 -0.62 0.23 0.00 0.00 176.35 176.45 3a9b n GLU 148 N 5.05 -1.40 -1.06 1.70 -0.58 0.50 -1.46 120.64 123.38 3a9b n GLU 148 Ca -0.12 1.51 -0.34 0.00 -0.42 0.00 0.00 57.16 57.79 3a9b n GLU 148 Cb 0.47 -5.61 0.11 0.00 -0.57 0.00 0.00 31.44 25.84 3a9b n GLU 148 CO 0.00 0.00 0.00 -2.30 -0.48 0.00 0.00 177.13 174.35 3a9b n PRO 149 N -1.71 0.08 -3.10 3.49 -0.02 -1.26 -3.41 135.00 129.07 3a9b n PRO 149 Ca -0.01 0.09 -0.23 0.00 -2.02 0.00 0.00 63.50 61.33 3a9b n PRO 149 Cb 0.51 -2.11 0.03 0.00 -0.02 0.00 0.00 33.50 31.91 3a9b n PRO 149 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3a9b n ASP 150 N -1.94 -5.88 0.00 2.55 8.00 -1.26 -4.90 116.55 113.12 3a9b n ASP 150 Ca 0.11 -0.32 0.00 0.00 0.71 0.00 0.00 54.79 55.29 3a9b n ASP 150 Cb 0.51 -4.75 0.00 0.00 -0.02 0.00 0.00 41.12 36.86 3a9b n ASP 150 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 3a9b n SER 151 N -2.53 0.00 0.25 -2.24 3.41 -1.22 -4.16 113.62 107.12 3a9b n SER 151 Ca -0.09 0.00 0.11 0.00 -0.26 0.00 0.00 58.87 58.62 3a9b n SER 151 Cb 0.61 0.00 0.65 0.00 -0.26 0.00 0.00 64.21 65.21 3a9b n SER 151 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3a9b h LEU 152 N 0.00 0.00 -2.07 1.04 3.38 -1.87 -1.36 115.31 114.42 3a9b h LEU 152 Ca 0.00 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.03 3a9b h LEU 152 Cb 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 3a9b h LEU 152 CO 0.00 0.16 0.17 1.23 0.09 0.00 0.00 178.44 180.09 3a9b h GLY 153 N 0.92 0.00 2.00 0.83 0.00 -1.91 -1.17 103.07 103.75 3a9b h GLY 153 Ca -0.00 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.29 3a9b h GLY 153 CO 0.02 0.00 -0.16 3.43 0.00 0.00 0.00 176.54 179.83 3a9b h ASN 154 N 0.00 0.00 1.11 0.19 4.21 -1.57 -1.29 115.58 118.23 3a9b h ASN 154 Ca 0.10 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.61 3a9b h ASN 154 Cb 0.45 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.65 3a9b h ASN 154 CO -0.00 0.16 0.00 0.24 -1.29 0.00 0.00 177.43 176.54 3a9b h MET 155 N 0.00 0.00 0.12 0.81 2.86 -1.37 0.43 114.93 117.78 3a9b h MET 155 Ca -0.00 0.00 -0.34 0.00 -2.06 0.00 0.00 59.70 57.29 3a9b h MET 155 Cb 0.29 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.94 3a9b h MET 155 CO 0.02 0.00 -1.86 0.28 1.06 0.00 0.00 176.91 176.41 3a9b h VAL 156 N 0.00 0.71 0.00 -2.22 2.07 -1.28 -3.43 116.25 112.10 3a9b h VAL 156 Ca 0.00 -2.34 0.00 0.00 0.82 0.00 0.00 66.70 65.18 3a9b h VAL 156 Cb 0.56 2.51 0.00 0.00 -1.52 0.00 0.00 31.29 32.83 3a9b h VAL 156 CO 0.00 0.82 -0.25 0.35 0.02 0.00 0.00 177.57 178.51 3a9b n THR 157 N -3.63 0.00 -1.60 2.57 -2.24 -0.80 -4.77 114.28 103.80 3a9b n THR 157 Ca -0.31 -0.39 0.06 0.00 -2.27 0.00 0.00 64.05 61.15 3a9b n THR 157 Cb 1.00 0.91 0.17 0.00 -2.10 0.00 0.00 70.33 70.31 3a9b n THR 157 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3a9b n ASN 158 N -1.13 1.71 0.00 3.42 3.02 0.14 -4.74 115.26 117.67 3a9b n ASN 158 Ca 0.00 -3.49 0.11 0.00 -0.03 0.00 0.00 54.58 51.18 3a9b n ASN 158 Cb 0.03 -0.48 0.60 0.00 -0.61 0.00 0.00 39.78 39.32 3a9b n ASN 158 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 3a9b n MET 159 N -0.98 0.40 0.00 3.52 2.81 -1.21 -1.38 117.12 120.29 3a9b n MET 159 Ca 0.16 0.06 0.14 0.00 -1.81 0.00 0.00 57.70 56.25 3a9b n MET 159 Cb 0.73 -1.50 0.62 0.00 -0.71 0.00 0.00 33.22 32.36 3a9b n MET 159 CO 0.00 0.00 0.00 -2.39 1.51 0.00 0.00 175.97 175.09 3a9b n HIS 160 N -1.24 0.00 -3.14 2.03 1.44 -1.26 -4.52 115.22 108.53 3a9b n HIS 160 Ca 0.12 0.00 -0.40 0.00 -2.01 0.00 0.00 57.72 55.43 3a9b n HIS 160 Cb 0.17 -0.47 -0.07 0.00 0.12 0.00 0.00 29.99 29.74 3a9b n HIS 160 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 3a9b s VAL 161 N -2.94 5.00 0.25 0.61 1.01 -0.48 -4.97 120.40 118.88 3a9b s VAL 161 Ca 0.16 1.04 -0.05 0.00 0.00 0.00 0.00 61.98 63.12 3a9b s VAL 161 Cb 0.18 -3.92 0.29 0.00 0.00 0.00 0.00 36.38 32.94 3a9b s VAL 161 CO 0.50 0.02 1.64 -0.65 0.00 0.00 0.00 175.10 176.61 3a9b h PRO 162 N 7.96 0.12 -0.68 2.72 0.11 -1.87 0.06 132.00 140.42 3a9b h PRO 162 Ca -0.27 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 65.79 3a9b h PRO 162 Cb 1.13 -0.03 -0.03 0.00 0.11 0.00 0.00 31.00 32.18 3a9b h PRO 162 CO 0.76 0.08 0.27 -0.22 -0.21 0.00 0.00 178.00 178.68 3a9b h LYS 163 N 0.12 0.99 -0.31 1.05 3.64 -1.94 -0.76 116.57 119.36 3a9b h LYS 163 Ca 0.44 -0.17 -0.09 0.00 -1.27 0.00 0.00 60.65 59.56 3a9b h LYS 163 Cb 0.80 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.44 3a9b h LYS 163 CO -0.67 0.81 -0.17 0.00 -2.27 0.00 0.00 179.45 177.15 3a9b h GLN 165 N 0.43 0.44 0.00 0.00 4.20 -0.75 -1.05 115.11 118.38 3a9b h GLN 165 Ca 0.07 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.75 3a9b h GLN 165 Cb 0.71 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.39 3a9b h GLN 165 CO 0.05 0.29 0.00 0.41 -0.67 0.00 0.00 178.83 178.91 3a9b n GLY 166 N -1.31 -1.53 0.00 3.46 0.00 -0.32 -3.58 105.19 101.91 3a9b n GLY 166 Ca 0.12 0.01 0.06 0.00 0.00 0.00 0.00 46.02 46.21 3a9b n GLY 166 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a9b n ALA 167 N -1.76 3.54 0.05 4.61 0.00 -0.59 -4.74 120.51 121.63 3a9b n ALA 167 Ca 0.04 -0.37 -0.11 0.00 0.00 0.00 0.00 53.44 53.00 3a9b n ALA 167 Cb 0.35 -0.49 -0.05 0.00 0.00 0.00 0.00 19.45 19.26 3a9b n ALA 167 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3a9b h ALA 168 N 1.80 -0.37 -0.69 0.00 0.00 -1.28 0.15 119.26 118.87 3a9b h ALA 168 Ca 0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 3a9b h ALA 168 Cb 0.38 0.49 -0.03 0.00 0.00 0.00 0.00 17.79 18.62 3a9b h ALA 168 CO 0.00 -0.78 0.40 1.15 0.00 0.00 0.00 179.25 180.02 3a9b h THR 169 N -0.41 1.20 -0.50 0.00 2.02 -1.85 -2.54 112.91 110.84 3a9b h THR 169 Ca 0.07 -0.48 -0.04 0.00 0.77 0.00 0.00 66.41 66.73 3a9b h THR 169 Cb 0.50 0.28 -0.02 0.00 -1.74 0.00 0.00 68.15 67.17 3a9b h THR 169 CO -0.25 0.22 0.16 0.00 0.37 0.00 0.00 175.52 176.01 3a9b h ALA 170 N 1.20 1.34 -0.16 6.16 0.00 -1.63 0.49 119.26 126.67 3a9b h ALA 170 Ca 0.24 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 3a9b h ALA 170 Cb 0.00 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 3a9b h ALA 170 CO -0.04 0.48 0.00 1.88 0.00 0.00 0.00 179.25 181.56 3a9b h TYR 171 N 0.72 0.30 -0.36 0.00 -1.99 -0.44 0.16 116.97 115.37 3a9b h TYR 171 Ca 0.17 -0.05 -0.01 0.00 2.00 0.00 0.00 58.73 60.83 3a9b h TYR 171 Cb 0.21 -0.08 -0.02 0.00 2.00 0.00 0.00 36.73 38.85 3a9b h TYR 171 CO 0.01 0.49 0.18 0.87 -0.00 0.00 0.00 178.16 179.71 3a9b h LYS 172 N 0.02 0.52 -0.33 4.88 1.57 -1.20 -1.34 116.57 120.69 3a9b h LYS 172 Ca 0.04 -0.07 -0.09 0.00 -1.87 0.00 0.00 60.65 58.66 3a9b h LYS 172 Cb 0.37 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.57 3a9b h LYS 172 CO 0.01 0.46 -0.19 0.93 -0.57 0.00 0.00 179.45 180.09 3a9b h GLU 173 N 0.45 0.60 0.11 3.15 5.08 -0.87 -0.53 114.58 122.57 3a9b h GLU 173 Ca 0.12 -0.21 -0.01 0.00 -1.00 0.00 0.00 59.36 58.27 3a9b h GLU 173 Cb 0.11 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.32 3a9b h GLU 173 CO -0.02 0.76 -0.05 0.78 -1.00 0.00 0.00 179.01 179.48 3a9b h GLY 174 N 0.99 -0.15 1.22 -3.84 0.00 -0.52 -1.55 103.07 99.22 3a9b h GLY 174 Ca 0.09 0.06 -0.03 0.00 0.00 0.00 0.00 47.33 47.45 3a9b h GLY 174 CO 0.04 -0.06 0.34 -2.22 0.00 0.00 0.00 176.54 174.64 3a9b h ILE 175 N -0.52 1.23 -0.79 2.60 2.04 -1.22 -1.37 117.51 119.48 3a9b h ILE 175 Ca -0.01 -0.64 0.01 0.00 1.00 0.00 0.00 64.86 65.21 3a9b h ILE 175 Cb 0.42 0.33 -0.04 0.00 -0.74 0.00 0.00 36.82 36.79 3a9b h ILE 175 CO 0.02 0.27 0.53 0.00 0.00 0.00 0.00 178.15 178.97 3a9b h ALA 176 N 1.36 1.01 -0.59 1.87 0.00 -1.02 -0.00 119.26 121.89 3a9b h ALA 176 Ca 0.25 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.06 3a9b h ALA 176 Cb 0.11 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 3a9b h ALA 176 CO -0.03 0.42 0.19 -0.92 0.00 0.00 0.00 179.25 178.91 3a9b h TYR 177 N 1.08 0.94 -0.44 0.00 3.20 -0.59 0.15 116.97 121.30 3a9b h TYR 177 Ca 0.29 -0.09 -0.00 0.00 3.14 0.00 0.00 58.73 62.07 3a9b h TYR 177 Cb -0.12 -0.27 -0.02 0.00 1.54 0.00 0.00 36.73 37.85 3a9b h TYR 177 CO -0.02 0.78 0.27 1.15 -1.64 0.00 0.00 178.16 178.69 3a9b h THR 178 N 0.82 1.14 0.11 1.81 2.02 -0.63 -0.57 112.91 117.60 3a9b h THR 178 Ca 0.19 -0.31 -0.01 0.00 0.77 0.00 0.00 66.41 67.05 3a9b h THR 178 Cb 0.27 0.55 0.00 0.00 -1.74 0.00 0.00 68.15 67.24 3a9b h THR 178 CO -0.01 0.14 -0.05 0.40 0.37 0.00 0.00 175.52 176.37 3a9b h ILE 179 N 0.58 0.90 0.00 3.11 2.04 -0.84 -2.78 117.51 120.52 3a9b h ILE 179 Ca 0.16 -0.01 -0.01 0.00 1.00 0.00 0.00 64.86 65.99 3a9b h ILE 179 Cb -0.00 0.90 -0.00 0.00 -0.74 0.00 0.00 36.82 36.98 3a9b h ILE 179 CO -0.03 0.00 -0.05 0.00 0.00 0.00 0.00 178.15 178.07 3a9b h ALA 180 N 0.74 1.44 0.00 1.87 0.00 -0.67 -2.57 119.26 120.07 3a9b h ALA 180 Ca -0.01 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3a9b h ALA 180 Cb 0.12 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3a9b h ALA 180 CO 0.02 0.06 -0.51 0.43 0.00 0.00 0.00 179.25 179.26 3a9b n SER 181 N -3.79 0.51 -2.28 0.00 7.64 -0.25 -4.30 113.62 111.15 3a9b n SER 181 Ca -0.03 -0.19 -0.17 0.00 1.01 0.00 0.00 58.87 59.50 3a9b n SER 181 Cb 0.15 0.23 0.03 0.00 -1.01 0.00 0.00 64.21 63.61 3a9b n SER 181 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 3a9b n LEU 182 N -1.57 3.88 -4.42 -3.43 4.77 -0.97 -4.96 117.00 110.31 3a9b n LEU 182 Ca 0.05 -4.23 -0.44 0.00 -0.03 0.00 0.00 56.01 51.37 3a9b n LEU 182 Cb 0.35 -0.09 -0.04 0.00 -2.33 0.00 0.00 43.42 41.31 3a9b n LEU 182 CO 0.35 1.78 0.55 -1.10 -1.33 0.00 0.00 177.39 177.64 3a9b s GLN 183 N -3.66 3.09 0.01 3.23 -1.52 -1.25 -4.86 119.66 114.70 3a9b s GLN 183 Ca 0.44 -1.04 -0.08 0.00 -1.95 0.00 0.00 55.36 52.72 3a9b s GLN 183 Cb 0.38 -4.22 0.00 0.00 -0.22 0.00 0.00 33.01 28.95 3a9b s GLN 183 CO 0.01 -1.61 0.16 0.15 -0.25 0.00 0.00 175.29 173.75 3a9b s LYS 184 N 3.27 0.56 0.59 2.91 1.02 -1.26 -5.05 119.74 121.78 3a9b s LYS 184 Ca 0.17 -0.48 0.34 0.00 0.02 0.00 0.00 55.97 56.02 3a9b s LYS 184 Cb -0.20 0.23 1.86 0.00 -0.52 0.00 0.00 37.83 39.20 3a9b s LYS 184 CO 0.09 -0.14 2.21 -1.00 -0.92 0.00 0.00 175.35 175.59 3a9b h PRO 185 N 3.98 0.00 -0.61 -1.68 0.13 -2.01 -2.47 132.00 129.34 3a9b h PRO 185 Ca -0.31 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 3a9b h PRO 185 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 3a9b h PRO 185 CO 0.43 0.04 0.00 0.27 -0.23 0.00 0.00 178.00 178.51 3a9b n ASN 186 N -3.48 5.02 -4.02 1.44 6.94 -1.26 -4.89 115.26 115.00 3a9b n ASN 186 Ca -0.02 -2.61 -0.26 0.00 -0.02 0.00 0.00 54.58 51.67 3a9b n ASN 186 Cb 0.15 -0.61 -0.17 0.00 -2.36 0.00 0.00 39.78 36.79 3a9b n ASN 186 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 3a9b s ILE 187 N -2.14 1.25 -0.10 1.53 1.01 -0.93 -0.54 121.20 121.28 3a9b s ILE 187 Ca 0.52 -0.51 0.01 0.00 0.00 0.00 0.00 60.65 60.67 3a9b s ILE 187 Cb 0.35 -1.16 -0.02 0.00 0.01 0.00 0.00 42.46 41.64 3a9b s ILE 187 CO 0.22 0.39 -0.12 -1.81 0.00 0.00 0.00 174.94 173.62 3a9b s ASP 188 N 0.95 4.19 -0.08 3.58 1.01 -0.09 -4.61 116.67 121.61 3a9b s ASP 188 Ca -0.09 -0.23 0.01 0.00 0.71 0.00 0.00 52.55 52.96 3a9b s ASP 188 Cb -0.15 -1.34 -0.02 0.00 1.01 0.00 0.00 42.92 42.41 3a9b s ASP 188 CO -0.00 0.25 -0.11 -0.76 0.21 0.00 0.00 175.17 174.76 3a9b s LEU 189 N -0.13 2.91 -0.16 1.23 1.43 -1.26 -1.28 118.68 121.42 3a9b s LEU 189 Ca -0.00 -0.16 0.00 0.00 -1.03 0.00 0.00 54.13 52.93 3a9b s LEU 189 Cb -0.13 -1.63 0.03 0.00 0.03 0.00 0.00 46.19 44.49 3a9b s LEU 189 CO 0.03 0.30 -0.10 -0.31 0.23 0.00 0.00 176.35 176.50 3a9b s TYR 190 N -0.42 2.01 0.12 0.29 2.02 0.01 -0.57 117.35 120.81 3a9b s TYR 190 Ca 0.05 -1.21 -0.30 0.00 -0.37 0.00 0.00 57.07 55.24 3a9b s TYR 190 Cb -0.12 -1.48 -0.07 0.00 -0.40 0.00 0.00 41.96 39.89 3a9b s TYR 190 CO 0.02 -0.65 1.16 0.42 -1.57 0.00 0.00 175.55 174.93 3a9b s ILE 191 N 1.54 3.91 0.31 2.71 1.01 -0.17 -0.74 121.20 129.77 3a9b s ILE 191 Ca 0.02 1.50 -0.30 0.00 0.00 0.00 0.00 60.65 61.87 3a9b s ILE 191 Cb -0.14 -3.96 -0.11 0.00 0.01 0.00 0.00 42.46 38.26 3a9b s ILE 191 CO -0.09 0.19 1.58 -0.62 0.00 0.00 0.00 174.94 176.00 3a9b s ASP 192 N 0.51 6.36 -0.18 3.58 2.15 -0.54 -1.07 116.67 127.48 3a9b s ASP 192 Ca 0.54 2.97 0.17 0.00 0.43 0.00 0.00 52.55 56.67 3a9b s ASP 192 Cb -0.30 -2.64 0.45 0.00 -0.30 0.00 0.00 42.92 40.13 3a9b s ASP 192 CO 0.32 -0.91 1.18 0.00 -0.17 0.00 0.00 175.17 175.59 3a9b n ALA 193 N 1.87 3.37 -0.80 3.66 0.00 0.57 -4.81 120.51 124.37 3a9b n ALA 193 Ca 0.07 -3.03 0.00 0.00 0.00 0.00 0.00 53.44 50.48 3a9b n ALA 193 Cb 0.38 -0.57 0.00 0.00 0.00 0.00 0.00 19.45 19.26 3a9b n ALA 193 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3a9b n ALA 194 N -0.47 0.00 -2.85 0.00 0.00 -1.26 -4.85 120.51 111.08 3a9b n ALA 194 Ca 0.18 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.52 3a9b n ALA 194 Cb 0.90 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 20.29 3a9b n ALA 194 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 3a9b s HIS 195 N 0.00 0.66 0.44 0.00 -3.43 -1.26 -0.76 115.29 110.93 3a9b s HIS 195 Ca 0.00 -0.97 0.11 0.00 -0.80 0.00 0.00 55.06 53.40 3a9b s HIS 195 Cb 0.00 -0.06 0.99 0.00 -1.43 0.00 0.00 32.58 32.07 3a9b s HIS 195 CO 0.00 -0.89 2.05 0.78 -2.00 0.00 0.00 174.74 174.68 3a9b h GLY 196 N 2.36 0.47 2.00 -1.38 0.00 -1.90 -1.11 103.07 103.51 3a9b h GLY 196 Ca -0.29 -0.16 0.00 0.00 0.00 0.00 0.00 47.33 46.87 3a9b h GLY 196 CO 0.41 0.14 0.00 0.61 0.00 0.00 0.00 176.54 177.70 3a9b n GLY 197 N -1.50 -1.39 0.07 4.60 0.00 -1.26 -1.15 105.19 104.55 3a9b n GLY 197 Ca 0.04 -0.01 -0.06 0.00 0.00 0.00 0.00 46.02 45.99 3a9b n GLY 197 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 3a9b n TRP 198 N -1.98 0.12 0.50 1.61 -0.00 -0.48 -4.79 117.44 112.42 3a9b n TRP 198 Ca 0.04 0.05 0.09 0.00 -0.00 0.00 0.00 57.50 57.68 3a9b n TRP 198 Cb 0.30 -0.43 0.11 0.00 -0.00 0.00 0.00 31.31 31.29 3a9b n TRP 198 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 177.69 178.97 3a9b n LEU 199 N -4.03 2.68 0.18 5.87 4.77 -0.83 -4.50 117.00 121.14 3a9b n LEU 199 Ca -0.10 -1.23 0.12 0.00 -0.03 0.00 0.00 56.01 54.78 3a9b n LEU 199 Cb 0.37 -0.08 0.24 0.00 -2.33 0.00 0.00 43.42 41.62 3a9b n LEU 199 CO 0.15 0.53 0.80 1.23 -1.33 0.00 0.00 177.39 178.77 3a9b h GLY 200 N 3.37 0.00 -3.72 -0.72 0.00 -1.28 -3.29 103.07 97.43 3a9b h GLY 200 Ca 0.00 0.00 -0.57 0.00 0.00 0.00 0.00 47.33 46.76 3a9b h GLY 200 CO 0.00 0.00 0.39 0.79 0.00 0.00 0.00 176.54 177.72 3a9b n TRP 201 N -2.80 1.84 -0.28 5.60 7.02 -1.26 -4.44 117.44 123.11 3a9b n TRP 201 Ca 0.04 0.52 0.10 0.00 -1.02 0.00 0.00 57.50 57.15 3a9b n TRP 201 Cb 0.50 -2.33 0.25 0.00 -2.42 0.00 0.00 31.31 27.31 3a9b n TRP 201 CO 0.00 0.00 0.00 -0.91 -2.02 0.00 0.00 177.69 174.76 3a9b h ASN 202 N 1.91 0.10 0.31 -0.99 4.21 -1.90 0.28 115.58 119.50 3a9b h ASN 202 Ca -0.47 0.17 0.00 0.00 1.21 0.00 0.00 56.30 57.21 3a9b h ASN 202 Cb 1.31 0.21 0.00 0.00 -1.12 0.00 0.00 38.32 38.71 3a9b h ASN 202 CO 0.59 -0.07 -0.04 0.47 -1.29 0.00 0.00 177.43 177.09 3a9b n ASP 203 N -5.15 0.27 0.01 5.81 8.00 -1.26 -3.39 116.55 120.84 3a9b n ASP 203 Ca 0.19 -0.60 0.11 0.00 0.71 0.00 0.00 54.79 55.20 3a9b n ASP 203 Cb 0.59 -0.12 -0.09 0.00 -0.02 0.00 0.00 41.12 41.49 3a9b n ASP 203 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3a9b n ASN 204 N -1.00 0.45 0.07 -2.24 3.02 0.08 -4.55 115.26 111.08 3a9b n ASN 204 Ca 0.17 -0.21 -0.13 0.00 -0.03 0.00 0.00 54.58 54.38 3a9b n ASN 204 Cb 0.23 1.31 -0.09 0.00 -0.61 0.00 0.00 39.78 40.62 3a9b n ASN 204 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 3a9b h LEU 205 N 0.00 -0.15 0.12 3.41 3.38 -1.55 -2.11 115.31 118.40 3a9b h LEU 205 Ca 0.00 -0.26 -0.01 0.00 0.09 0.00 0.00 57.88 57.71 3a9b h LEU 205 Cb 0.83 0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.62 3a9b h LEU 205 CO 0.00 0.19 -0.06 -0.09 0.09 0.00 0.00 178.44 178.57 3a9b h ARG 206 N -0.50 -0.15 -0.06 1.13 9.65 -1.81 -1.45 114.38 121.18 3a9b h ARG 206 Ca -0.02 0.01 -0.00 0.00 -1.10 0.00 0.00 59.98 58.87 3a9b h ARG 206 Cb 0.40 0.03 -0.00 0.00 -1.39 0.00 0.00 29.97 29.01 3a9b h ARG 206 CO 0.03 0.02 0.03 -1.00 2.80 0.00 0.00 179.97 181.85 3a9b h PRO 207 N -0.29 0.08 0.16 0.20 0.13 -1.80 -0.05 132.00 130.43 3a9b h PRO 207 Ca -0.02 -0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 65.10 3a9b h PRO 207 Cb 0.24 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.35 3a9b h PRO 207 CO 0.03 0.06 -0.08 0.77 -0.23 0.00 0.00 178.00 178.55 3a9b h SER 208 N 0.08 -0.19 -0.64 1.44 0.02 -1.13 -0.97 113.55 112.16 3a9b h SER 208 Ca 0.02 -0.16 0.08 0.00 -0.84 0.00 0.00 61.79 60.89 3a9b h SER 208 Cb 0.01 0.05 -0.07 0.00 0.14 0.00 0.00 62.40 62.53 3a9b h SER 208 CO -0.00 0.05 0.30 0.00 -1.14 0.00 0.00 176.83 176.04 3a9b h ALA 209 N 0.37 0.85 -0.68 3.77 0.00 -0.85 -1.61 119.26 121.12 3a9b h ALA 209 Ca -0.02 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3a9b h ALA 209 Cb 0.33 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 3a9b h ALA 209 CO 0.04 -0.09 0.39 0.93 0.00 0.00 0.00 179.25 180.51 3a9b h GLU 210 N 0.53 0.93 -0.15 0.00 5.08 -0.88 -1.73 114.58 118.37 3a9b h GLU 210 Ca 0.31 -0.10 -0.12 0.00 -1.00 0.00 0.00 59.36 58.45 3a9b h GLU 210 Cb 0.31 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 3a9b h GLU 210 CO -0.25 0.69 -0.44 0.97 -1.00 0.00 0.00 179.01 178.98 3a9b h ILE 211 N 0.93 1.32 -0.49 3.13 2.10 -0.54 0.12 117.51 124.07 3a9b h ILE 211 Ca 0.24 -1.61 -0.04 0.00 1.08 0.00 0.00 64.86 64.53 3a9b h ILE 211 Cb 0.01 1.69 -0.02 0.00 -1.09 0.00 0.00 36.82 37.41 3a9b h ILE 211 CO -0.04 0.49 0.14 -0.26 -1.08 0.00 0.00 178.15 177.39 3a9b h PHE 212 N 0.29 0.80 -0.56 2.19 0.04 -1.08 -1.20 116.94 117.42 3a9b h PHE 212 Ca 0.02 -0.09 -0.10 0.00 2.80 0.00 0.00 57.97 60.60 3a9b h PHE 212 Cb 0.89 -0.23 -0.02 0.00 2.20 0.00 0.00 35.95 38.79 3a9b h PHE 212 CO 0.02 0.71 -0.06 -0.22 -0.60 0.00 0.00 178.31 178.16 3a9b h LYS 213 N 0.66 1.01 -0.84 1.51 1.63 -1.01 -1.21 116.57 118.33 3a9b h LYS 213 Ca 0.16 -0.35 0.01 0.00 -0.85 0.00 0.00 60.65 59.62 3a9b h LYS 213 Cb 0.30 -0.08 -0.04 0.00 -0.60 0.00 0.00 32.23 31.81 3a9b h LYS 213 CO -0.00 1.03 0.55 1.49 -3.45 0.00 0.00 179.45 179.07 3a9b h GLU 214 N 0.91 1.11 -0.28 1.90 4.81 -0.58 0.40 114.58 122.85 3a9b h GLU 214 Ca 0.15 -0.07 -0.08 0.00 -0.13 0.00 0.00 59.36 59.23 3a9b h GLU 214 Cb 0.62 -0.25 -0.01 0.00 0.63 0.00 0.00 28.75 29.74 3a9b h GLU 214 CO 0.04 0.74 -0.14 1.15 -0.73 0.00 0.00 179.01 180.07 3a9b h THR 215 N 1.14 1.30 -0.91 0.32 2.02 -1.00 -1.47 112.91 114.30 3a9b h THR 215 Ca 0.31 -1.24 0.00 0.00 0.77 0.00 0.00 66.41 66.25 3a9b h THR 215 Cb -0.12 1.50 -0.04 0.00 -1.74 0.00 0.00 68.15 67.74 3a9b h THR 215 CO -0.06 0.39 0.58 0.25 0.37 0.00 0.00 175.52 177.05 3a9b h LEU 216 N 0.34 1.07 -0.77 2.58 5.85 -0.95 -1.40 115.31 122.04 3a9b h LEU 216 Ca 0.06 -0.04 -0.04 0.00 0.84 0.00 0.00 57.88 58.70 3a9b h LEU 216 Cb 0.66 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.39 3a9b h LEU 216 CO 0.04 0.79 0.34 0.44 -0.34 0.00 0.00 178.44 179.72 3a9b h ASP 217 N 1.25 1.03 -0.87 1.25 3.32 -0.67 -1.51 116.42 120.21 3a9b h ASP 217 Ca 0.33 -0.15 0.00 0.00 0.02 0.00 0.00 57.03 57.24 3a9b h ASP 217 Cb -0.11 -0.27 -0.04 0.00 0.22 0.00 0.00 39.33 39.13 3a9b h ASP 217 CO -0.07 0.89 0.56 -0.07 -1.72 0.00 0.00 179.24 178.84 3a9b h LEU 218 N 1.09 1.02 -1.30 1.55 3.38 -0.90 -2.36 115.31 117.79 3a9b h LEU 218 Ca 0.26 -0.04 0.01 0.00 0.09 0.00 0.00 57.88 58.20 3a9b h LEU 218 Cb 0.16 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.62 3a9b h LEU 218 CO -0.03 0.75 0.46 0.00 0.09 0.00 0.00 178.44 179.71 3a9b h ALA 219 N 1.31 1.49 0.00 1.53 0.00 -0.47 -1.88 119.26 121.23 3a9b h ALA 219 Ca 0.32 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.17 3a9b h ALA 219 Cb -0.11 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.39 3a9b h ALA 219 CO -0.07 0.47 0.00 0.00 0.00 0.00 0.00 179.25 179.66 3a9b h ARG 220 N 0.96 0.00 -0.00 0.00 3.08 -0.78 -0.79 114.38 116.84 3a9b h ARG 220 Ca 0.26 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.31 3a9b h ARG 220 Cb -0.10 0.00 0.00 0.00 0.08 0.00 0.00 29.97 29.95 3a9b h ARG 220 CO -0.05 0.00 -0.08 1.04 -1.07 0.00 0.00 179.97 179.81 3a9b n GLN 221 N -2.41 0.20 -0.10 0.04 6.02 -0.71 -3.35 117.38 117.06 3a9b n GLN 221 Ca 0.03 -0.03 -0.17 0.00 -0.01 0.00 0.00 57.00 56.82 3a9b n GLN 221 Cb 0.31 -1.50 -0.06 0.00 1.02 0.00 0.00 30.24 30.01 3a9b n GLN 221 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.06 175.16 3a9b n ILE 222 N -1.37 1.43 -4.01 5.09 5.41 -0.58 -4.90 119.36 120.43 3a9b n ILE 222 Ca 0.10 -0.07 -0.32 0.00 1.00 0.00 0.00 62.75 63.46 3a9b n ILE 222 Cb 0.31 -2.08 -0.15 0.00 -0.71 0.00 0.00 39.64 37.01 3a9b n ILE 222 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 176.55 175.66 3a9b s THR 223 N -2.66 2.37 0.27 1.39 2.01 -0.41 -5.06 115.64 113.56 3a9b s THR 223 Ca -0.30 -2.03 -0.05 0.00 0.31 0.00 0.00 61.69 59.61 3a9b s THR 223 Cb 0.08 -2.60 0.38 0.00 0.01 0.00 0.00 72.50 70.37 3a9b s THR 223 CO 0.41 -0.39 1.59 -0.65 -0.69 0.00 0.00 174.62 174.89 3a9b h PRO 224 N 7.72 0.03 -0.65 4.92 0.11 -1.82 -1.36 132.00 140.95 3a9b h PRO 224 Ca -0.11 -0.00 -0.36 0.00 0.11 0.00 0.00 66.00 65.64 3a9b h PRO 224 Cb 1.03 -0.01 -0.21 0.00 0.11 0.00 0.00 31.00 31.93 3a9b h PRO 224 CO 0.52 0.02 0.21 0.09 -0.21 0.00 0.00 178.00 178.62 3a9b n ASN 225 N -5.50 3.45 -4.75 -2.05 3.02 -1.26 -4.76 115.26 103.41 3a9b n ASN 225 Ca 0.17 -3.73 -0.41 0.00 -0.03 0.00 0.00 54.58 50.57 3a9b n ASN 225 Cb 0.56 -0.72 0.00 0.00 -0.61 0.00 0.00 39.78 39.01 3a9b n ASN 225 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3a9b n ALA 226 N -1.10 2.03 -2.29 5.41 0.00 -0.51 -5.02 120.51 119.03 3a9b n ALA 226 Ca 0.46 0.34 -0.14 0.00 0.00 0.00 0.00 53.44 54.10 3a9b n ALA 226 Cb 1.22 -2.37 -0.09 0.00 0.00 0.00 0.00 19.45 18.21 3a9b n ALA 226 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 3a9b s THR 227 N -1.12 0.00 0.21 0.00 -1.32 -1.26 -4.80 115.64 107.34 3a9b s THR 227 Ca 0.55 -1.96 0.06 0.00 -1.21 0.00 0.00 61.69 59.13 3a9b s THR 227 Cb -0.50 -2.49 -0.05 0.00 -1.51 0.00 0.00 72.50 67.96 3a9b s THR 227 CO 0.63 0.00 -0.11 0.68 -2.21 0.00 0.00 174.62 173.61 3a9b s VAL 228 N -3.97 1.54 0.13 5.08 -7.23 -1.26 -4.87 120.40 109.82 3a9b s VAL 228 Ca 0.38 -2.15 -0.07 0.00 -1.81 0.00 0.00 61.98 58.33 3a9b s VAL 228 Cb 0.05 -2.10 -0.16 0.00 0.56 0.00 0.00 36.38 34.73 3a9b s VAL 228 CO 0.15 -0.55 1.32 -0.09 -0.31 0.00 0.00 175.10 175.62 3a9b h ARG 229 N 2.55 0.54 0.00 4.82 9.65 -1.20 -3.46 114.38 127.28 3a9b h ARG 229 Ca -0.38 -0.51 0.00 0.00 -1.10 0.00 0.00 59.98 57.99 3a9b h ARG 229 Cb 1.22 0.13 0.00 0.00 -1.39 0.00 0.00 29.97 29.92 3a9b h ARG 229 CO 0.63 1.14 0.00 0.41 2.80 0.00 0.00 179.97 184.95 3a9b n GLY 230 N 0.81 -0.55 3.26 2.80 0.00 -1.12 -4.01 105.19 106.39 3a9b n GLY 230 Ca -0.07 -0.20 -0.19 0.00 0.00 0.00 0.00 46.02 45.56 3a9b n GLY 230 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3a9b s LEU 231 N 0.00 2.40 -0.10 0.99 1.43 0.12 -1.00 118.68 122.53 3a9b s LEU 231 Ca 0.00 -0.81 0.01 0.00 -1.03 0.00 0.00 54.13 52.30 3a9b s LEU 231 Cb 0.00 -0.64 -0.02 0.00 0.03 0.00 0.00 46.19 45.56 3a9b s LEU 231 CO 0.00 -0.10 -0.14 0.00 0.23 0.00 0.00 176.35 176.34 3a9b s ALA 232 N -2.04 2.61 0.17 4.21 0.00 -0.23 -1.29 121.76 125.19 3a9b s ALA 232 Ca 0.10 -0.92 0.07 0.00 0.00 0.00 0.00 51.96 51.21 3a9b s ALA 232 Cb -0.06 -1.11 -0.04 0.00 0.00 0.00 0.00 23.12 21.92 3a9b s ALA 232 CO 0.04 0.35 -0.15 0.96 0.00 0.00 0.00 175.76 176.96 3a9b s ILE 233 N -0.01 1.61 -0.25 0.00 -4.36 -0.39 -0.32 121.20 117.48 3a9b s ILE 233 Ca -0.04 -2.01 0.00 0.00 -0.26 0.00 0.00 60.65 58.34 3a9b s ILE 233 Cb -0.14 -1.86 0.00 0.00 1.25 0.00 0.00 42.46 41.71 3a9b s ILE 233 CO 0.04 -0.50 0.00 -3.20 0.24 0.00 0.00 174.94 171.52 3a9b n ASN 234 N 0.01 -4.64 -4.67 4.36 5.15 0.06 -1.22 115.26 114.31 3a9b n ASN 234 Ca -0.11 0.06 -0.48 0.00 -0.60 0.00 0.00 54.58 53.45 3a9b n ASN 234 Cb 0.59 -2.35 -0.05 0.00 -0.53 0.00 0.00 39.78 37.44 3a9b n ASN 234 CO 0.00 0.00 0.00 0.52 1.40 0.00 0.00 177.26 179.18 3a9b n VAL 235 N -2.48 0.29 -0.86 3.44 0.31 -1.26 -0.87 118.33 116.90 3a9b n VAL 235 Ca -0.02 -0.05 0.00 0.00 -0.01 0.00 0.00 64.34 64.25 3a9b n VAL 235 Cb 0.30 -1.62 0.00 0.00 -0.91 0.00 0.00 33.84 31.61 3a9b n VAL 235 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 3a9b n SER 236 N 4.98 -2.48 -1.70 4.52 7.64 -1.26 -4.98 113.62 120.34 3a9b n SER 236 Ca 0.20 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.08 3a9b n SER 236 Cb 0.27 -1.89 0.00 0.00 -1.01 0.00 0.00 64.21 61.58 3a9b n SER 236 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 3a9b n ASN 237 N -0.31 0.48 0.00 6.43 2.85 -0.05 -5.03 115.26 119.63 3a9b n ASN 237 Ca 0.00 -0.85 0.00 0.00 -0.11 0.00 0.00 54.58 53.62 3a9b n ASN 237 Cb 0.15 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.17 3a9b n ASN 237 CO 0.00 0.00 0.00 -1.22 -2.11 0.00 0.00 177.26 173.93 3a9b n TYR 238 N -0.65 0.00 -1.77 1.20 4.01 -1.26 -4.46 117.16 114.23 3a9b n TYR 238 Ca 0.00 -0.02 -0.41 0.00 -0.16 0.00 0.00 57.90 57.31 3a9b n TYR 238 Cb 0.00 -0.00 -0.00 0.00 -0.31 0.00 0.00 39.34 39.03 3a9b n TYR 238 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 3a9b n ASN 239 N -0.02 3.71 -4.78 7.72 3.02 -1.26 -4.36 115.26 119.28 3a9b n ASN 239 Ca 0.00 1.22 -0.32 0.00 -0.03 0.00 0.00 54.58 55.45 3a9b n ASN 239 Cb 0.16 -1.61 0.06 0.00 -0.61 0.00 0.00 39.78 37.78 3a9b n ASN 239 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 3a9b s PRO 240 N -2.03 2.71 -0.03 3.52 0.04 -1.26 -4.76 135.00 133.20 3a9b s PRO 240 Ca 0.54 1.21 -0.18 0.00 0.04 0.00 0.00 61.00 62.60 3a9b s PRO 240 Cb -0.48 -1.95 -0.10 0.00 0.04 0.00 0.00 34.50 32.00 3a9b s PRO 240 CO 0.63 -1.30 0.76 -0.92 0.04 0.00 0.00 177.00 176.21 3a9b h TYR 241 N -0.44 -0.57 -3.19 0.56 3.20 -1.93 -0.29 116.97 114.31 3a9b h TYR 241 Ca -0.45 -0.01 -0.67 0.00 3.14 0.00 0.00 58.73 60.74 3a9b h TYR 241 Cb 1.23 0.19 -0.35 0.00 1.54 0.00 0.00 36.73 39.34 3a9b h TYR 241 CO 0.58 -0.33 -0.85 0.15 -1.64 0.00 0.00 178.16 176.06 3a9b s LYS 242 N -3.65 2.86 0.42 1.82 1.02 -1.26 -1.17 119.74 119.79 3a9b s LYS 242 Ca -0.10 -0.91 -0.24 0.00 0.02 0.00 0.00 55.97 54.74 3a9b s LYS 242 Cb 0.01 -2.62 -0.08 0.00 -0.52 0.00 0.00 37.83 34.62 3a9b s LYS 242 CO 0.30 -0.27 1.16 -0.08 -0.92 0.00 0.00 175.35 175.54 3a9b s THR 243 N 1.26 3.16 -0.15 2.17 -1.32 -1.26 -4.95 115.64 114.55 3a9b s THR 243 Ca 0.03 0.94 -0.08 0.00 -1.21 0.00 0.00 61.69 61.37 3a9b s THR 243 Cb -0.14 -3.51 -0.24 0.00 -1.51 0.00 0.00 72.50 67.09 3a9b s THR 243 CO -0.12 0.05 0.28 0.54 -2.21 0.00 0.00 174.62 173.17 3a9b n ARG 244 N -0.09 0.73 -3.76 7.08 5.12 -1.26 -4.77 116.66 119.70 3a9b n ARG 244 Ca 0.05 0.29 -0.30 0.00 -1.93 0.00 0.00 57.85 55.96 3a9b n ARG 244 Cb 0.47 -1.69 -0.14 0.00 -1.16 0.00 0.00 32.46 29.94 3a9b n ARG 244 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3a9b s ALA 245 N -2.53 2.19 -0.05 7.54 0.00 -1.26 -5.11 121.76 122.55 3a9b s ALA 245 Ca -0.25 -2.49 -0.35 0.00 0.00 0.00 0.00 51.96 48.87 3a9b s ALA 245 Cb 0.07 -1.87 -0.12 0.00 0.00 0.00 0.00 23.12 21.19 3a9b s ALA 245 CO 0.73 -1.97 1.81 -2.13 0.00 0.00 0.00 175.76 174.19 3a9b n ARG 246 N 3.77 2.09 -2.98 0.00 0.63 -1.26 -4.91 116.66 114.00 3a9b n ARG 246 Ca 0.06 0.76 -0.35 0.00 -0.92 0.00 0.00 57.85 57.40 3a9b n ARG 246 Cb 0.36 -2.58 -0.06 0.00 0.45 0.00 0.00 32.46 30.62 3a9b n ARG 246 CO 0.00 0.00 0.00 -1.21 -2.51 0.00 0.00 177.63 173.91 3a9b s GLU 247 N 3.38 4.28 0.43 -0.14 2.02 -1.26 -4.96 118.70 122.45 3a9b s GLU 247 Ca 0.90 0.98 0.13 0.00 0.02 0.00 0.00 54.97 57.00 3a9b s GLU 247 Cb -0.72 -2.66 1.00 0.00 0.10 0.00 0.00 34.13 31.85 3a9b s GLU 247 CO 0.50 0.25 1.99 -0.44 0.02 0.00 0.00 175.26 177.58 3a9b h ASP 248 N 2.89 0.39 0.45 -0.19 3.32 -1.98 -0.61 116.42 120.69 3a9b h ASP 248 Ca -0.48 0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.58 3a9b h ASP 248 Cb 1.19 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.66 3a9b h ASP 248 CO 0.65 0.24 0.00 0.00 -1.72 0.00 0.00 179.24 178.41 3a9b n TYR 249 N -4.47 0.10 1.58 4.55 0.18 -1.26 -2.00 117.16 115.84 3a9b n TYR 249 Ca 0.09 0.04 0.14 0.00 1.88 0.00 0.00 57.90 60.05 3a9b n TYR 249 Cb 0.33 -0.57 0.59 0.00 -0.38 0.00 0.00 39.34 39.31 3a9b n TYR 249 CO 0.00 0.00 0.00 0.25 -2.08 0.00 0.00 176.86 175.03 3a9b n THR 250 N -1.59 0.03 -1.64 -3.48 -2.24 -0.23 -4.83 114.28 100.28 3a9b n THR 250 Ca 0.03 -0.20 -0.47 0.00 -2.27 0.00 0.00 64.05 61.13 3a9b n THR 250 Cb 0.15 0.25 -0.04 0.00 -2.10 0.00 0.00 70.33 68.59 3a9b n THR 250 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3a9b n GLU 251 N -0.08 1.82 -0.98 -0.78 1.02 -0.85 -0.71 120.64 120.09 3a9b n GLU 251 Ca 0.19 0.66 0.00 0.00 -0.02 0.00 0.00 57.16 57.99 3a9b n GLU 251 Cb 0.29 -2.36 0.00 0.00 -0.02 0.00 0.00 31.44 29.35 3a9b n GLU 251 CO 0.00 0.00 0.00 0.91 1.18 0.00 0.00 177.13 179.22 3a9b n TRP 252 N 2.87 0.00 -3.92 -0.32 5.03 -1.26 -5.01 117.44 114.83 3a9b n TRP 252 Ca 0.16 0.00 -0.35 0.00 3.03 0.00 0.00 57.50 60.35 3a9b n TRP 252 Cb 0.26 -0.41 -0.14 0.00 -1.03 0.00 0.00 31.31 29.99 3a9b n TRP 252 CO 0.00 0.00 0.00 1.21 -0.03 0.00 0.00 177.69 178.87 3a9b s ASN 253 N -2.14 4.24 0.01 -0.99 3.84 0.11 -4.66 114.94 115.34 3a9b s ASN 253 Ca 0.00 -0.50 0.24 0.00 0.21 0.00 0.00 52.86 52.81 3a9b s ASN 253 Cb 0.00 -1.71 1.03 0.00 -0.55 0.00 0.00 41.25 40.01 3a9b s ASN 253 CO 0.00 -0.04 1.78 0.59 -2.79 0.00 0.00 177.10 176.63 3a9b n ASN 254 N 4.77 0.04 -3.05 -4.21 3.02 -1.26 -3.59 115.26 110.98 3a9b n ASN 254 Ca -0.18 0.51 -0.40 0.00 -0.03 0.00 0.00 54.58 54.48 3a9b n ASN 254 Cb 0.50 -0.52 0.04 0.00 -0.61 0.00 0.00 39.78 39.19 3a9b n ASN 254 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3a9b n ALA 255 N -1.52 6.45 1.06 5.41 0.00 -1.26 -4.60 120.51 126.04 3a9b n ALA 255 Ca 0.06 -4.20 0.13 0.00 0.00 0.00 0.00 53.44 49.42 3a9b n ALA 255 Cb 0.29 -2.04 0.60 0.00 0.00 0.00 0.00 19.45 18.31 3a9b n ALA 255 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 3a9b n TYR 256 N -0.44 0.00 -4.12 0.00 0.18 -1.24 -4.44 117.16 107.11 3a9b n TYR 256 Ca 0.53 0.00 -0.11 0.00 1.88 0.00 0.00 57.90 60.20 3a9b n TYR 256 Cb 0.24 -0.40 -0.08 0.00 -0.38 0.00 0.00 39.34 38.71 3a9b n TYR 256 CO 0.00 0.00 0.00 0.16 -2.08 0.00 0.00 176.86 174.94 3a9b s ASP 257 N -2.81 0.07 0.26 9.48 1.47 -1.26 -4.83 116.67 119.05 3a9b s ASP 257 Ca 0.18 -1.20 0.11 0.00 1.18 0.00 0.00 52.55 52.82 3a9b s ASP 257 Cb 0.17 0.45 0.31 0.00 -0.34 0.00 0.00 42.92 43.51 3a9b s ASP 257 CO 0.44 -0.94 1.58 -0.33 0.68 0.00 0.00 175.17 176.60 3a9b h GLU 258 N 2.50 0.00 -0.56 2.11 4.39 -0.89 -0.67 114.58 121.45 3a9b h GLU 258 Ca -0.32 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.37 3a9b h GLU 258 Cb 1.25 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.87 3a9b h GLU 258 CO 0.47 0.65 0.33 2.35 -1.16 0.00 0.00 179.01 181.65 3a9b h TRP 259 N 0.00 0.74 0.00 4.33 7.01 -1.37 -0.93 115.95 125.73 3a9b h TRP 259 Ca -0.01 -0.01 -0.08 0.00 2.11 0.00 0.00 58.89 60.91 3a9b h TRP 259 Cb 1.16 -0.24 -0.01 0.00 -2.10 0.00 0.00 29.16 27.97 3a9b h TRP 259 CO 0.00 0.52 -0.40 -0.91 -2.79 0.00 0.00 178.44 174.86 3a9b h ASN 260 N 0.75 0.00 -0.24 2.65 2.35 -1.70 -1.86 115.58 117.54 3a9b h ASN 260 Ca 0.20 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.94 3a9b h ASN 260 Cb -0.00 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.36 3a9b h ASN 260 CO -0.04 0.40 0.13 0.22 -1.65 0.00 0.00 177.43 176.49 3a9b h TYR 261 N 0.00 0.33 -0.20 1.19 3.20 -0.52 -0.31 116.97 120.66 3a9b h TYR 261 Ca -0.00 -0.01 0.05 0.00 3.14 0.00 0.00 58.73 61.91 3a9b h TYR 261 Cb 0.78 -0.11 -0.05 0.00 1.54 0.00 0.00 36.73 38.89 3a9b h TYR 261 CO 0.00 0.29 -0.11 0.28 -1.64 0.00 0.00 178.16 176.98 3a9b h VAL 262 N 0.27 0.65 -0.35 1.81 2.07 -0.91 0.14 116.25 119.94 3a9b h VAL 262 Ca 0.08 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.55 3a9b h VAL 262 Cb 0.07 0.65 -0.02 0.00 -1.52 0.00 0.00 31.29 30.48 3a9b h VAL 262 CO -0.01 0.00 -0.03 0.11 0.02 0.00 0.00 177.57 177.65 3a9b h LYS 263 N -0.10 0.56 0.00 1.57 1.57 -1.12 -1.03 116.57 118.02 3a9b h LYS 263 Ca 0.11 -0.13 -0.25 0.00 -1.87 0.00 0.00 60.65 58.51 3a9b h LYS 263 Cb 0.27 -0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.46 3a9b h LYS 263 CO -0.26 0.61 -1.35 1.79 -0.57 0.00 0.00 179.45 179.67 3a9b h THR 264 N 0.53 1.26 0.12 -0.16 1.35 -0.75 -3.35 112.91 111.91 3a9b h THR 264 Ca 0.11 -3.03 -0.27 0.00 -0.55 0.00 0.00 66.41 62.66 3a9b h THR 264 Cb 0.39 2.62 0.01 0.00 -1.73 0.00 0.00 68.15 69.44 3a9b h THR 264 CO 0.02 0.72 -1.22 0.25 -0.25 0.00 0.00 175.52 175.04 3a9b h LEU 265 N 0.00 0.50 -0.67 3.87 5.85 -0.86 -3.39 115.31 120.61 3a9b h LEU 265 Ca -0.15 -0.50 0.13 0.00 0.84 0.00 0.00 57.88 58.20 3a9b h LEU 265 Cb 1.88 -0.16 -0.13 0.00 0.37 0.00 0.00 40.66 42.63 3a9b h LEU 265 CO 0.10 1.37 -0.18 0.74 -0.34 0.00 0.00 178.44 180.14 3a9b h THR 266 N 0.11 0.32 -0.25 1.05 2.02 -1.31 -0.98 112.91 113.86 3a9b h THR 266 Ca -0.14 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.06 3a9b h THR 266 Cb 1.92 0.32 -0.01 0.00 -1.74 0.00 0.00 68.15 68.64 3a9b h THR 266 CO 0.21 0.00 0.17 -0.65 0.37 0.00 0.00 175.52 175.61 3a9b h PRO 267 N -0.01 0.27 -0.28 6.66 0.11 -1.76 -0.43 132.00 136.56 3a9b h PRO 267 Ca 0.32 -0.02 -0.12 0.00 0.11 0.00 0.00 66.00 66.29 3a9b h PRO 267 Cb 0.50 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 31.54 3a9b h PRO 267 CO -0.69 0.18 -0.28 0.45 -0.21 0.00 0.00 178.00 177.44 3a9b h HIS 268 N 0.28 0.83 -0.43 0.65 3.86 -1.43 -0.77 115.15 118.14 3a9b h HIS 268 Ca 0.10 -0.25 0.03 0.00 -1.16 0.00 0.00 60.37 59.08 3a9b h HIS 268 Cb 0.06 -0.17 -0.03 0.00 1.06 0.00 0.00 27.41 28.32 3a9b h HIS 268 CO -0.00 0.99 0.24 -0.07 0.86 0.00 0.00 177.93 179.95 3a9b h LEU 269 N 0.43 0.37 -0.87 2.43 3.38 -0.97 -2.36 115.31 117.71 3a9b h LEU 269 Ca 0.04 0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.04 3a9b h LEU 269 Cb 0.85 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.50 3a9b h LEU 269 CO 0.07 0.26 0.57 1.56 0.09 0.00 0.00 178.44 181.00 3a9b h GLN 270 N 0.47 1.13 -0.34 1.13 4.20 -1.00 -0.38 115.11 120.32 3a9b h GLN 270 Ca 0.18 -0.07 -0.04 0.00 0.06 0.00 0.00 58.65 58.78 3a9b h GLN 270 Cb 0.04 -0.25 -0.02 0.00 0.30 0.00 0.00 27.48 27.55 3a9b h GLN 270 CO -0.10 0.75 0.03 0.00 -0.67 0.00 0.00 178.83 178.84 3a9b h ALA 271 N 1.33 1.43 -0.01 3.87 0.00 -0.80 -2.61 119.26 122.47 3a9b h ALA 271 Ca 0.32 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3a9b h ALA 271 Cb -0.11 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.53 3a9b h ALA 271 CO -0.08 0.41 -0.45 1.33 0.00 0.00 0.00 179.25 180.46 3a9b n VAL 272 N -4.31 0.00 -2.15 0.00 0.24 -0.92 -4.97 118.33 106.22 3a9b n VAL 272 Ca 0.02 -0.15 0.00 0.00 -2.04 0.00 0.00 64.34 62.16 3a9b n VAL 272 Cb 0.22 0.79 0.00 0.00 -1.47 0.00 0.00 33.84 33.37 3a9b n VAL 272 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3a9b n GLY 273 N 1.40 0.68 3.60 7.63 0.00 -0.52 -4.98 105.19 113.00 3a9b n GLY 273 Ca 0.09 -0.76 -0.34 0.00 0.00 0.00 0.00 46.02 45.01 3a9b n GLY 273 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3a9b s PHE 274 N -2.45 3.06 0.20 1.61 5.36 -0.27 -5.03 117.98 120.47 3a9b s PHE 274 Ca 0.00 0.01 -0.32 0.00 -0.96 0.00 0.00 56.93 55.66 3a9b s PHE 274 Cb 0.00 -1.82 -0.12 0.00 -0.34 0.00 0.00 43.02 40.75 3a9b s PHE 274 CO 0.00 0.29 1.70 -1.25 -1.46 0.00 0.00 175.22 174.50 3a9b s PRO 275 N -0.51 4.14 -0.90 10.12 0.04 -1.26 -4.17 135.00 142.45 3a9b s PRO 275 Ca 0.08 2.58 -0.01 0.00 0.04 0.00 0.00 61.00 63.69 3a9b s PRO 275 Cb -0.12 -3.08 0.34 0.00 0.04 0.00 0.00 34.50 31.67 3a9b s PRO 275 CO 0.02 -0.73 1.79 0.00 0.04 0.00 0.00 177.00 178.12 3a9b n ALA 276 N 3.97 6.08 -2.44 8.56 0.00 -1.26 -4.50 120.51 130.92 3a9b n ALA 276 Ca 0.16 -4.43 -0.32 0.00 0.00 0.00 0.00 53.44 48.85 3a9b n ALA 276 Cb 0.36 -1.92 -0.14 0.00 0.00 0.00 0.00 19.45 17.75 3a9b n ALA 276 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3a9b s GLN 277 N -4.14 2.30 0.05 0.00 -1.52 -1.26 -4.60 119.66 110.50 3a9b s GLN 277 Ca 0.45 -0.82 0.05 0.00 -1.95 0.00 0.00 55.36 53.09 3a9b s GLN 277 Cb 0.30 -2.25 -0.02 0.00 -0.22 0.00 0.00 33.01 30.81 3a9b s GLN 277 CO -0.24 0.59 -0.15 -0.06 -0.25 0.00 0.00 175.29 175.19 3a9b s PHE 278 N -0.76 1.27 0.09 0.91 0.08 0.33 -0.70 117.98 119.20 3a9b s PHE 278 Ca 0.12 -0.39 0.07 0.00 0.12 0.00 0.00 56.93 56.85 3a9b s PHE 278 Cb -0.10 -0.74 -0.04 0.00 -0.57 0.00 0.00 43.02 41.57 3a9b s PHE 278 CO 0.01 0.05 -0.13 0.96 -0.10 0.00 0.00 175.22 176.02 3a9b s ILE 279 N -0.98 3.19 -0.12 0.64 -4.36 -0.41 -0.30 121.20 118.86 3a9b s ILE 279 Ca 0.01 -1.25 -0.01 0.00 -0.26 0.00 0.00 60.65 59.14 3a9b s ILE 279 Cb -0.09 -2.45 0.03 0.00 1.25 0.00 0.00 42.46 41.20 3a9b s ILE 279 CO 0.02 0.18 -0.06 -0.69 0.24 0.00 0.00 174.94 174.62 3a9b s VAL 280 N -1.13 0.98 0.08 8.37 1.01 -0.83 -1.26 120.40 127.62 3a9b s VAL 280 Ca 0.19 -0.33 -0.31 0.00 0.00 0.00 0.00 61.98 61.54 3a9b s VAL 280 Cb -0.11 -1.05 -0.07 0.00 0.00 0.00 0.00 36.38 35.15 3a9b s VAL 280 CO 0.11 0.30 1.39 -0.62 0.00 0.00 0.00 175.10 176.28 3a9b s ASP 281 N 1.72 6.84 -0.04 3.32 -1.08 -0.36 -1.05 116.67 126.02 3a9b s ASP 281 Ca 0.04 2.25 0.06 0.00 -0.52 0.00 0.00 52.55 54.38 3a9b s ASP 281 Cb -0.13 -2.58 0.09 0.00 -1.46 0.00 0.00 42.92 38.84 3a9b s ASP 281 CO -0.08 -0.67 0.96 0.00 0.52 0.00 0.00 175.17 175.91 3a9b n GLN 282 N 4.41 0.85 0.30 4.34 1.13 -0.32 -4.77 117.38 123.31 3a9b n GLN 282 Ca 0.12 -1.49 0.16 0.00 -1.94 0.00 0.00 57.00 53.85 3a9b n GLN 282 Cb 0.43 -0.89 0.92 0.00 0.11 0.00 0.00 30.24 30.81 3a9b n GLN 282 CO 0.00 0.00 0.00 0.78 -1.44 0.00 0.00 177.06 176.40 3a9b h GLY 283 N 0.00 0.00 -2.00 1.08 0.00 -1.86 -2.09 103.07 98.20 3a9b h GLY 283 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.23 3a9b h GLY 283 CO 0.00 0.00 -0.74 0.54 0.00 0.00 0.00 176.54 176.34 3a9b n ARG 284 N -3.62 1.09 -0.19 4.80 1.74 -1.26 -3.69 116.66 115.53 3a9b n ARG 284 Ca -0.03 -2.86 0.08 0.00 -0.77 0.00 0.00 57.85 54.27 3a9b n ARG 284 Cb 0.13 -1.04 0.18 0.00 -1.02 0.00 0.00 32.46 30.70 3a9b n ARG 284 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 3a9b n SER 285 N -0.48 3.04 0.17 0.55 7.64 -0.99 -4.31 113.62 119.25 3a9b n SER 285 Ca 0.15 -1.92 0.02 0.00 1.01 0.00 0.00 58.87 58.13 3a9b n SER 285 Cb 0.88 -0.25 0.31 0.00 -1.01 0.00 0.00 64.21 64.15 3a9b n SER 285 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 3a9b h GLY 286 N 2.81 0.00 -5.70 0.23 0.00 -0.92 -3.41 103.07 96.08 3a9b h GLY 286 Ca 0.00 0.00 -0.67 0.00 0.00 0.00 0.00 47.33 46.66 3a9b h GLY 286 CO 0.00 0.00 -0.82 -1.60 0.00 0.00 0.00 176.54 174.12 3a9b s ARG 287 N -3.91 3.19 0.56 4.80 3.52 -1.26 -4.31 118.95 121.54 3a9b s ARG 287 Ca -0.02 -0.78 0.07 0.00 -0.13 0.00 0.00 55.73 54.87 3a9b s ARG 287 Cb 0.13 -2.53 0.07 0.00 -1.56 0.00 0.00 34.95 31.06 3a9b s ARG 287 CO 0.72 0.09 0.77 -1.21 -0.81 0.00 0.00 175.30 174.86 3a9b s GLU 288 N 0.61 2.36 -1.36 5.12 2.02 -1.26 -4.63 118.70 121.55 3a9b s GLU 288 Ca -0.10 -1.38 -0.02 0.00 0.02 0.00 0.00 54.97 53.49 3a9b s GLU 288 Cb -0.16 -2.61 0.00 0.00 0.10 0.00 0.00 34.13 31.46 3a9b s GLU 288 CO 0.03 -0.79 0.26 0.41 0.02 0.00 0.00 175.26 175.19 3a9b n GLY 289 N -2.24 -0.31 0.00 -1.39 0.00 -1.26 -4.90 105.19 95.08 3a9b n GLY 289 Ca 0.13 -0.10 0.08 0.00 0.00 0.00 0.00 46.02 46.12 3a9b n GLY 289 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3a9b n ILE 290 N -4.15 0.00 -4.37 -0.61 -5.35 -1.26 -4.97 119.36 98.64 3a9b n ILE 290 Ca -0.15 -0.11 -0.28 0.00 -0.27 0.00 0.00 62.75 61.95 3a9b n ILE 290 Cb 0.63 1.00 -0.13 0.00 -1.74 0.00 0.00 39.64 39.40 3a9b n ILE 290 CO 0.00 0.00 0.00 -0.13 -1.76 0.00 0.00 176.55 174.66 3a9b s ARG 291 N -2.56 1.36 0.02 6.28 0.52 -1.26 -4.73 118.95 118.59 3a9b s ARG 291 Ca 0.06 -1.34 0.22 0.00 -0.52 0.00 0.00 55.73 54.16 3a9b s ARG 291 Cb 0.12 -1.79 -0.24 0.00 0.52 0.00 0.00 34.95 33.56 3a9b s ARG 291 CO 0.68 0.42 0.65 0.25 0.02 0.00 0.00 175.30 177.31 3a9b n THR 292 N 0.86 0.14 -4.16 0.02 -2.24 -1.26 -4.95 114.28 102.68 3a9b n THR 292 Ca -0.18 -0.47 -0.15 0.00 -2.27 0.00 0.00 64.05 60.98 3a9b n THR 292 Cb 0.54 -0.00 -0.14 0.00 -2.10 0.00 0.00 70.33 68.62 3a9b n THR 292 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3a9b s GLU 293 N -3.44 0.50 0.44 -0.78 2.02 -1.26 -4.85 118.70 111.33 3a9b s GLU 293 Ca -0.05 -0.37 0.12 0.00 0.02 0.00 0.00 54.97 54.70 3a9b s GLU 293 Cb 0.13 -0.43 0.97 0.00 0.10 0.00 0.00 34.13 34.91 3a9b s GLU 293 CO 0.88 0.11 2.01 2.35 0.02 0.00 0.00 175.26 180.62 3a9b h TRP 294 N 5.58 0.13 0.00 1.61 2.91 -1.92 -2.59 115.95 121.67 3a9b h TRP 294 Ca -0.30 -0.01 0.00 0.00 1.13 0.00 0.00 58.89 59.71 3a9b h TRP 294 Cb 1.19 -0.04 0.00 0.00 -0.51 0.00 0.00 29.16 29.80 3a9b h TRP 294 CO 0.47 0.22 0.00 0.41 -1.03 0.00 0.00 178.44 178.51 3a9b n GLY 295 N -1.12 -0.92 3.69 2.65 0.00 -1.26 -4.77 105.19 103.45 3a9b n GLY 295 Ca -0.01 -0.15 -0.42 0.00 0.00 0.00 0.00 46.02 45.43 3a9b n GLY 295 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3a9b s GLN 296 N -2.00 4.39 0.00 1.61 -0.21 -0.98 -4.88 119.66 117.59 3a9b s GLN 296 Ca 0.36 1.54 0.00 0.00 0.02 0.00 0.00 55.36 57.28 3a9b s GLN 296 Cb 0.16 -3.54 0.00 0.00 1.00 0.00 0.00 33.01 30.63 3a9b s GLN 296 CO 0.28 -0.37 0.00 -2.67 -2.12 0.00 0.00 175.29 170.40 3a9b n TRP 297 N 5.04 0.00 -3.27 0.91 4.27 -1.26 -5.01 117.44 118.13 3a9b n TRP 297 Ca 0.10 0.00 -0.42 0.00 -3.89 0.00 0.00 57.50 53.29 3a9b n TRP 297 Cb 0.47 0.00 -0.08 0.00 -1.36 0.00 0.00 31.31 30.34 3a9b n TRP 297 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 3a9b n ASN 299 N 5.71 -2.14 -4.67 0.00 3.02 -1.26 -4.46 115.26 111.46 3a9b n ASN 299 Ca -0.06 -1.06 -0.42 0.00 -0.03 0.00 0.00 54.58 53.02 3a9b n ASN 299 Cb 0.49 -2.93 -0.03 0.00 -0.61 0.00 0.00 39.78 36.69 3a9b n ASN 299 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3a9b s ILE 300 N -3.79 3.40 0.36 2.41 -1.09 -1.26 -0.06 121.20 121.18 3a9b s ILE 300 Ca 0.20 0.62 -0.28 0.00 -2.23 0.00 0.00 60.65 58.96 3a9b s ILE 300 Cb -0.08 -3.40 -0.10 0.00 -1.58 0.00 0.00 42.46 37.29 3a9b s ILE 300 CO 0.89 -0.04 1.40 -0.60 -1.23 0.00 0.00 174.94 175.37 3a9b s ARG 301 N 3.57 4.18 -0.16 2.79 3.52 0.27 -2.56 118.95 130.56 3a9b s ARG 301 Ca 0.74 2.40 0.00 0.00 -0.13 0.00 0.00 55.73 58.74 3a9b s ARG 301 Cb -0.36 -2.98 0.00 0.00 -1.56 0.00 0.00 34.95 30.05 3a9b s ARG 301 CO 0.31 -0.40 0.00 0.09 -0.81 0.00 0.00 175.30 174.48 3a9b n ASN 302 N 0.55 -4.17 -4.63 -2.12 5.03 -1.26 -4.89 115.26 103.77 3a9b n ASN 302 Ca 0.01 0.04 -0.41 0.00 0.87 0.00 0.00 54.58 55.09 3a9b n ASN 302 Cb 0.41 -1.80 0.02 0.00 -1.02 0.00 0.00 39.78 37.38 3a9b n ASN 302 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3a9b n ALA 303 N 1.03 0.38 -2.43 5.41 0.00 -1.06 -4.77 120.51 119.07 3a9b n ALA 303 Ca -0.01 0.20 -0.29 0.00 0.00 0.00 0.00 53.44 53.33 3a9b n ALA 303 Cb 0.21 -2.12 -0.12 0.00 0.00 0.00 0.00 19.45 17.42 3a9b n ALA 303 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3a9b s GLY 304 N -0.78 1.62 0.29 0.00 0.00 -1.26 -3.09 107.32 104.10 3a9b s GLY 304 Ca 0.65 -1.42 -0.30 0.00 0.00 0.00 0.00 44.72 43.65 3a9b s GLY 304 CO 0.56 -1.40 1.45 0.69 0.00 0.00 0.00 173.10 174.40 3a9b n PHE 305 N 0.90 2.49 -1.77 1.90 0.99 -0.52 -0.62 117.46 120.84 3a9b n PHE 305 Ca -0.17 0.40 0.00 0.00 -0.00 0.00 0.00 57.45 57.68 3a9b n PHE 305 Cb 0.53 -2.50 0.00 0.00 -1.00 0.00 0.00 39.48 36.51 3a9b n PHE 305 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3a9b n GLY 306 N 1.74 1.44 3.59 1.37 0.00 -0.82 -1.32 105.19 111.19 3a9b n GLY 306 Ca 0.08 -1.98 -0.52 0.00 0.00 0.00 0.00 46.02 43.61 3a9b n GLY 306 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3a9b n ILE 307 N -0.14 0.04 -2.07 -0.61 5.41 -1.22 -4.65 119.36 116.12 3a9b n ILE 307 Ca 0.00 -0.01 -0.34 0.00 1.00 0.00 0.00 62.75 63.40 3a9b n ILE 307 Cb 0.00 -0.85 0.02 0.00 -0.71 0.00 0.00 39.64 38.10 3a9b n ILE 307 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 176.55 176.42 3a9b s ARG 308 N 0.46 3.20 0.07 0.38 3.00 -1.26 -4.74 118.95 120.05 3a9b s ARG 308 Ca 0.84 1.43 -0.37 0.00 0.00 0.00 0.00 55.73 57.62 3a9b s ARG 308 Cb -0.94 -2.00 -0.17 0.00 0.00 0.00 0.00 34.95 31.84 3a9b s ARG 308 CO 0.47 -0.94 1.29 -2.30 0.00 0.00 0.00 175.30 173.82 3a9b n PRO 309 N -1.81 0.94 -3.52 3.54 -0.02 -1.26 -4.87 135.00 128.00 3a9b n PRO 309 Ca 0.10 0.34 -0.13 0.00 -2.02 0.00 0.00 63.50 61.79 3a9b n PRO 309 Cb 0.52 -1.96 -0.05 0.00 -0.02 0.00 0.00 33.50 31.99 3a9b n PRO 309 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 3a9b s THR 310 N 0.40 0.00 -1.51 3.45 -1.32 -0.61 -4.99 115.64 111.06 3a9b s THR 310 Ca 0.86 0.00 0.13 0.00 -1.21 0.00 0.00 61.69 61.46 3a9b s THR 310 Cb -1.01 -1.00 0.14 0.00 -1.51 0.00 0.00 72.50 69.12 3a9b s THR 310 CO 0.49 0.00 0.96 0.35 -2.21 0.00 0.00 174.62 174.21 3a9b n THR 311 N 0.50 0.15 -1.67 5.08 -2.24 -1.26 -1.38 114.28 113.47 3a9b n THR 311 Ca -0.14 -0.58 -0.43 0.00 -2.27 0.00 0.00 64.05 60.64 3a9b n THR 311 Cb 0.59 1.15 -0.03 0.00 -2.10 0.00 0.00 70.33 69.94 3a9b n THR 311 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3a9b s ASP 312 N -1.05 5.90 0.43 3.42 -1.08 -1.26 -4.86 116.67 118.18 3a9b s ASP 312 Ca 0.17 2.18 0.30 0.00 -0.52 0.00 0.00 52.55 54.67 3a9b s ASP 312 Cb 0.11 -2.52 1.32 0.00 -1.46 0.00 0.00 42.92 40.37 3a9b s ASP 312 CO 0.16 -1.56 1.89 1.56 0.52 0.00 0.00 175.17 177.74 3a9b h GLN 313 N 13.04 0.00 0.00 4.34 1.08 -1.95 0.31 115.11 131.93 3a9b h GLN 313 Ca -0.44 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 56.75 3a9b h GLN 313 Cb 1.23 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.66 3a9b h GLN 313 CO 0.96 0.00 -0.07 0.00 -0.95 0.00 0.00 178.83 178.76 3a9b h ALA 314 N 2.10 1.36 0.00 3.87 0.00 -2.00 0.61 119.26 125.20 3a9b h ALA 314 Ca 0.00 -0.07 -0.41 0.00 0.00 0.00 0.00 54.91 54.43 3a9b h ALA 314 Cb 0.35 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.07 3a9b h ALA 314 CO 0.00 0.09 -2.39 -0.89 0.00 0.00 0.00 179.25 176.06 3a9b n ILE 315 N -3.69 1.37 -0.14 0.00 5.41 -0.38 -4.66 119.36 117.26 3a9b n ILE 315 Ca -0.02 -0.37 -0.11 0.00 1.00 0.00 0.00 62.75 63.24 3a9b n ILE 315 Cb 0.18 -1.77 -0.01 0.00 -0.71 0.00 0.00 39.64 37.33 3a9b n ILE 315 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 176.55 177.13 3a9b h VAL 316 N -0.77 1.27 -6.14 1.39 2.07 -1.03 -3.47 116.25 109.58 3a9b h VAL 316 Ca -0.62 -1.19 -0.44 0.00 0.82 0.00 0.00 66.70 65.27 3a9b h VAL 316 Cb 1.59 1.18 0.03 0.00 -1.52 0.00 0.00 31.29 32.57 3a9b h VAL 316 CO -0.34 0.40 -0.77 -0.67 0.02 0.00 0.00 177.57 176.21 3a9b n ASP 317 N -4.31 -3.65 -3.55 0.57 2.03 0.20 -4.95 116.55 102.88 3a9b n ASP 317 Ca -0.01 -0.75 -0.01 0.00 0.52 0.00 0.00 54.79 54.54 3a9b n ASP 317 Cb 0.37 -4.15 -0.05 0.00 -0.72 0.00 0.00 41.12 36.56 3a9b n ASP 317 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 3a9b s SER 318 N -3.72 -0.60 0.60 1.67 0.15 -1.26 -5.01 113.70 105.53 3a9b s SER 318 Ca 0.40 0.90 0.35 0.00 0.70 0.00 0.00 55.95 58.30 3a9b s SER 318 Cb -0.20 1.46 1.92 0.00 -1.71 0.00 0.00 66.02 67.50 3a9b s SER 318 CO 0.81 -0.13 2.23 0.00 1.20 0.00 0.00 173.24 177.35 3a9b h ALA 319 N 6.78 1.23 -0.00 5.45 0.00 -1.99 -2.18 119.26 128.56 3a9b h ALA 319 Ca -0.23 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.66 3a9b h ALA 319 Cb 1.16 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.94 3a9b h ALA 319 CO 0.14 0.04 -0.04 0.09 0.00 0.00 0.00 179.25 179.48 3a9b n ASN 320 N -3.46 0.30 -4.32 0.00 4.13 -1.26 -4.73 115.26 105.92 3a9b n ASN 320 Ca -0.02 -0.64 -0.36 0.00 1.68 0.00 0.00 54.58 55.24 3a9b n ASN 320 Cb 0.13 -0.10 -0.13 0.00 -1.54 0.00 0.00 39.78 38.14 3a9b n ASN 320 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 3a9b s VAL 321 N -2.34 3.61 0.04 2.41 1.01 -0.82 -0.51 120.40 123.80 3a9b s VAL 321 Ca 0.34 -0.61 -0.20 0.00 0.00 0.00 0.00 61.98 61.52 3a9b s VAL 321 Cb 0.21 -2.76 -0.14 0.00 0.00 0.00 0.00 36.38 33.69 3a9b s VAL 321 CO 0.43 0.26 1.34 0.44 0.00 0.00 0.00 175.10 177.57 3a9b h ASP 322 N 8.15 0.41 -4.34 3.32 3.32 -0.94 -3.46 116.42 122.87 3a9b h ASP 322 Ca -0.36 -0.49 0.03 0.00 0.02 0.00 0.00 57.03 56.23 3a9b h ASP 322 Cb 1.14 -0.11 -0.22 0.00 0.22 0.00 0.00 39.33 40.36 3a9b h ASP 322 CO 0.59 0.81 0.41 0.00 -1.72 0.00 0.00 179.24 179.34 3a9b s ALA 323 N -4.28 -1.88 0.05 3.45 0.00 -1.22 -4.62 121.76 113.26 3a9b s ALA 323 Ca -0.14 1.53 -0.23 0.00 0.00 0.00 0.00 51.96 53.12 3a9b s ALA 323 Cb 0.05 -0.54 -0.06 0.00 0.00 0.00 0.00 23.12 22.57 3a9b s ALA 323 CO 0.76 -0.32 0.70 0.42 0.00 0.00 0.00 175.76 177.32 3a9b s ILE 324 N -1.00 4.74 0.24 0.00 1.01 -0.48 -1.96 121.20 123.76 3a9b s ILE 324 Ca -0.04 1.50 0.00 0.00 0.00 0.00 0.00 60.65 62.11 3a9b s ILE 324 Cb -0.01 -4.05 -0.05 0.00 0.01 0.00 0.00 42.46 38.37 3a9b s ILE 324 CO 0.04 0.41 0.11 0.68 0.00 0.00 0.00 174.94 176.18 3a9b s VAL 325 N -0.28 0.33 -0.34 2.92 -7.23 -0.22 -1.57 120.40 114.00 3a9b s VAL 325 Ca 0.35 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.53 3a9b s VAL 325 Cb -0.20 -2.58 0.09 0.00 0.56 0.00 0.00 36.38 34.25 3a9b s VAL 325 CO 0.21 0.00 0.07 0.26 -0.31 0.00 0.00 175.10 175.33 3a9b s TRP 326 N -3.91 3.55 -0.10 2.82 0.52 -1.26 -1.17 118.94 119.38 3a9b s TRP 326 Ca 0.38 -2.51 -0.07 0.00 0.02 0.00 0.00 56.10 53.93 3a9b s TRP 326 Cb 0.07 -2.73 -0.02 0.00 -1.15 0.00 0.00 33.47 29.64 3a9b s TRP 326 CO 0.13 -0.92 -0.13 0.28 0.02 0.00 0.00 176.95 176.33 3a9b n VAL 327 N 4.45 0.99 -2.17 4.03 0.31 -1.26 -2.03 118.33 122.66 3a9b n VAL 327 Ca -0.04 0.30 -0.42 0.00 -0.01 0.00 0.00 64.34 64.17 3a9b n VAL 327 Cb 0.42 -2.12 -0.03 0.00 -0.91 0.00 0.00 33.84 31.20 3a9b n VAL 327 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 3a9b s LYS 328 N -1.89 4.24 -0.36 5.55 2.47 -1.26 -3.77 119.74 124.72 3a9b s LYS 328 Ca -0.11 2.01 -0.29 0.00 -1.56 0.00 0.00 55.97 56.02 3a9b s LYS 328 Cb 0.01 -3.72 0.02 0.00 -1.46 0.00 0.00 37.83 32.69 3a9b s LYS 328 CO 0.16 -0.68 1.14 -2.14 0.16 0.00 0.00 175.35 173.99 3a9b s PRO 329 N 3.03 3.94 0.23 4.03 0.02 -1.26 -4.80 135.00 140.18 3a9b s PRO 329 Ca 0.66 0.96 -0.32 0.00 0.02 0.00 0.00 61.00 62.32 3a9b s PRO 329 Cb -0.31 -3.81 -0.12 0.00 0.02 0.00 0.00 34.50 30.27 3a9b s PRO 329 CO 0.26 -1.09 1.66 0.41 -0.33 0.00 0.00 177.00 177.91 3a9b n GLY 330 N 4.24 1.40 0.00 0.52 0.00 -1.26 -2.09 105.19 108.00 3a9b n GLY 330 Ca 0.13 0.58 0.00 0.00 0.00 0.00 0.00 46.02 46.72 3a9b n GLY 330 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3a9b n GLY 331 N 3.33 2.18 3.64 -0.02 0.00 -1.26 -4.94 105.19 108.13 3a9b n GLY 331 Ca 0.14 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.73 3a9b n GLY 331 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3a9b s GLU 332 N -0.21 4.10 0.52 1.61 2.02 -0.89 -0.51 118.70 125.34 3a9b s GLU 332 Ca 0.00 1.17 -0.22 0.00 0.02 0.00 0.00 54.97 55.94 3a9b s GLU 332 Cb 0.00 -3.73 -0.06 0.00 0.10 0.00 0.00 34.13 30.44 3a9b s GLU 332 CO 0.00 -0.86 1.23 0.45 0.02 0.00 0.00 175.26 176.10 3a9b n SER 333 N 6.81 2.14 0.04 -0.19 2.88 0.08 -4.68 113.62 120.70 3a9b n SER 333 Ca 0.12 0.98 0.13 0.00 -1.33 0.00 0.00 58.87 58.77 3a9b n SER 333 Cb 0.47 -1.50 0.50 0.00 -0.75 0.00 0.00 64.21 62.92 3a9b n SER 333 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 3a9b n ASP 334 N -0.56 0.38 0.00 -3.46 8.00 -1.26 -1.03 116.55 118.61 3a9b n ASP 334 Ca 0.10 0.48 0.00 0.00 0.71 0.00 0.00 54.79 56.08 3a9b n ASP 334 Cb 0.44 -0.55 0.00 0.00 -0.02 0.00 0.00 41.12 40.98 3a9b n ASP 334 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3a9b n GLY 335 N 1.42 3.51 3.80 0.44 0.00 -1.26 -4.72 105.19 108.38 3a9b n GLY 335 Ca 0.06 -0.91 -0.34 0.00 0.00 0.00 0.00 46.02 44.83 3a9b n GLY 335 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3a9b s THR 336 N -2.00 4.09 -1.51 2.61 -1.32 -1.09 -4.52 115.64 111.91 3a9b s THR 336 Ca 0.00 1.41 0.25 0.00 -1.21 0.00 0.00 61.69 62.15 3a9b s THR 336 Cb 0.00 -3.64 0.13 0.00 -1.51 0.00 0.00 72.50 67.48 3a9b s THR 336 CO 0.00 -0.17 1.43 -1.54 -2.21 0.00 0.00 174.62 172.13 3a9b n SER 337 N -0.44 0.96 -4.61 8.08 3.41 -0.87 -4.19 113.62 115.96 3a9b n SER 337 Ca 0.06 -0.77 -0.43 0.00 -0.26 0.00 0.00 58.87 57.48 3a9b n SER 337 Cb 0.52 0.26 -0.02 0.00 -0.26 0.00 0.00 64.21 64.71 3a9b n SER 337 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3a9b s ASP 338 N -2.68 6.39 0.54 4.04 -1.08 -1.26 -4.86 116.67 117.76 3a9b s ASP 338 Ca 0.19 0.94 0.28 0.00 -0.52 0.00 0.00 52.55 53.44 3a9b s ASP 338 Cb 0.18 -2.54 1.45 0.00 -1.46 0.00 0.00 42.92 40.55 3a9b s ASP 338 CO 0.60 -1.37 1.94 0.58 0.52 0.00 0.00 175.17 177.45 3a9b h VAL 339 N 6.37 0.60 -0.01 1.11 2.07 -1.99 -0.87 116.25 123.53 3a9b h VAL 339 Ca -0.28 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.24 3a9b h VAL 339 Cb 1.11 0.65 0.00 0.00 -1.52 0.00 0.00 31.29 31.53 3a9b h VAL 339 CO 1.07 0.00 -0.21 -3.20 0.02 0.00 0.00 177.57 175.25 3a9b n ASN 340 N -4.21 0.93 -4.77 0.57 5.15 -1.26 -4.86 115.26 106.81 3a9b n ASN 340 Ca 0.13 -0.85 -0.39 0.00 -0.60 0.00 0.00 54.58 52.86 3a9b n ASN 340 Cb 0.74 0.08 -0.02 0.00 -0.53 0.00 0.00 39.78 40.06 3a9b n ASN 340 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3a9b s ALA 341 N -2.47 3.22 0.33 5.20 0.00 -0.33 -4.90 121.76 122.80 3a9b s ALA 341 Ca 0.26 1.07 0.05 0.00 0.00 0.00 0.00 51.96 53.34 3a9b s ALA 341 Cb 0.19 -3.42 0.70 0.00 0.00 0.00 0.00 23.12 20.59 3a9b s ALA 341 CO 0.50 -0.62 1.87 0.28 0.00 0.00 0.00 175.76 177.79 3a9b h VAL 342 N 2.44 0.91 -0.58 0.00 2.07 -1.91 -1.70 116.25 117.48 3a9b h VAL 342 Ca -0.49 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 66.75 3a9b h VAL 342 Cb 1.24 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 31.01 3a9b h VAL 342 CO 0.63 0.15 0.00 0.54 0.02 0.00 0.00 177.57 178.91 3a9b n ARG 343 N -4.56 4.49 -1.63 1.57 5.12 -1.26 -5.01 116.66 115.38 3a9b n ARG 343 Ca 0.17 -2.98 -0.48 0.00 -1.93 0.00 0.00 57.85 52.62 3a9b n ARG 343 Cb 0.38 -2.15 -0.05 0.00 -1.16 0.00 0.00 32.46 29.48 3a9b n ARG 343 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 3a9b n PHE 344 N 0.74 1.92 -4.19 -1.55 7.35 -0.64 -4.75 117.46 116.34 3a9b n PHE 344 Ca 0.26 0.45 -0.33 0.00 -0.76 0.00 0.00 57.45 57.07 3a9b n PHE 344 Cb 1.09 -2.44 -0.16 0.00 0.35 0.00 0.00 39.48 38.32 3a9b n PHE 344 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 3a9b s ASP 345 N 0.66 3.25 0.62 -2.13 -1.08 -1.26 -5.02 116.67 111.71 3a9b s ASP 345 Ca 0.80 -0.61 0.35 0.00 -0.52 0.00 0.00 52.55 52.56 3a9b s ASP 345 Cb -0.79 -1.50 2.03 0.00 -1.46 0.00 0.00 42.92 41.19 3a9b s ASP 345 CO 0.43 0.01 2.29 1.05 0.52 0.00 0.00 175.17 179.47 3a9b h GLU 346 N 7.85 0.00 -0.11 4.34 4.11 -1.93 0.38 114.58 129.21 3a9b h GLU 346 Ca -0.43 0.00 0.03 0.00 0.07 0.00 0.00 59.36 59.03 3a9b h GLU 346 Cb 1.15 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.40 3a9b h GLU 346 CO 0.62 0.00 0.11 -0.91 0.07 0.00 0.00 179.01 178.91 3a9b h ASN 347 N 0.00 0.00 0.08 3.06 2.35 -1.96 -1.40 115.58 117.71 3a9b h ASN 347 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3a9b h ASN 347 Cb 0.03 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.40 3a9b h ASN 347 CO -0.00 0.00 -0.01 0.00 -1.65 0.00 0.00 177.43 175.77 3a9b n ARG 349 N -0.77 1.85 -1.03 0.00 1.74 -0.53 -4.59 116.66 113.34 3a9b n ARG 349 Ca 0.21 -3.08 -0.33 0.00 -0.77 0.00 0.00 57.85 53.88 3a9b n ARG 349 Cb 0.19 -1.72 0.13 0.00 -1.02 0.00 0.00 32.46 30.04 3a9b n ARG 349 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 3a9b n SER 350 N -1.08 0.84 0.26 0.55 3.41 -0.94 -4.86 113.62 111.79 3a9b n SER 350 Ca 0.25 0.55 0.16 0.00 -0.26 0.00 0.00 58.87 59.58 3a9b n SER 350 Cb 0.87 -1.50 0.85 0.00 -0.26 0.00 0.00 64.21 64.17 3a9b n SER 350 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 3a9b h PRO 351 N -1.08 0.00 -0.02 4.33 0.11 -1.96 -1.48 132.00 131.90 3a9b h PRO 351 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3a9b h PRO 351 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 3a9b h PRO 351 CO 0.45 0.00 -0.32 0.00 -0.21 0.00 0.00 178.00 177.92 3a9b n ALA 352 N -1.89 3.21 -2.00 -0.75 0.00 -1.26 -4.99 120.51 112.82 3a9b n ALA 352 Ca -0.02 -0.62 -0.34 0.00 0.00 0.00 0.00 53.44 52.45 3a9b n ALA 352 Cb 0.12 -0.85 -0.06 0.00 0.00 0.00 0.00 19.45 18.66 3a9b n ALA 352 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3a9b s SER 353 N -2.34 6.99 -0.35 0.00 0.01 -0.56 -0.57 113.70 116.87 3a9b s SER 353 Ca 0.22 1.50 -0.26 0.00 1.31 0.00 0.00 55.95 58.72 3a9b s SER 353 Cb 0.19 -2.45 0.01 0.00 0.21 0.00 0.00 66.02 63.98 3a9b s SER 353 CO 0.49 -0.14 0.93 -2.28 0.41 0.00 0.00 173.24 172.66 3a9b s HIS 354 N -1.82 3.10 0.03 2.43 2.46 0.92 -4.65 115.29 117.77 3a9b s HIS 354 Ca 0.52 0.84 0.06 0.00 0.47 0.00 0.00 55.06 56.95 3a9b s HIS 354 Cb -0.13 -3.61 -0.02 0.00 -0.13 0.00 0.00 32.58 28.69 3a9b s HIS 354 CO 0.19 -0.79 -0.18 0.08 -2.47 0.00 0.00 174.74 171.57 3a9b s VAL 355 N 3.44 1.46 0.44 0.89 1.01 -1.26 -4.05 120.40 122.34 3a9b s VAL 355 Ca 0.39 -1.05 -0.22 0.00 0.00 0.00 0.00 61.98 61.09 3a9b s VAL 355 Cb -0.12 -1.27 -0.09 0.00 0.00 0.00 0.00 36.38 34.90 3a9b s VAL 355 CO 0.17 0.19 1.05 -2.16 0.00 0.00 0.00 175.10 174.36 3a9b s PRO 356 N -1.01 3.98 0.02 2.72 0.04 -1.26 -5.18 135.00 134.31 3a9b s PRO 356 Ca 0.06 1.46 0.06 0.00 0.04 0.00 0.00 61.00 62.62 3a9b s PRO 356 Cb -0.08 -2.34 -0.02 0.00 0.04 0.00 0.00 34.50 32.10 3a9b s PRO 356 CO 0.01 -0.29 -0.19 0.00 0.04 0.00 0.00 177.00 176.57 3a9b s ALA 357 N -1.79 1.58 0.89 8.56 0.00 -1.26 -4.98 121.76 124.76 3a9b s ALA 357 Ca 0.62 -0.93 -0.13 0.00 0.00 0.00 0.00 51.96 51.52 3a9b s ALA 357 Cb -0.20 -0.33 0.16 0.00 0.00 0.00 0.00 23.12 22.76 3a9b s ALA 357 CO 0.25 0.36 1.25 -1.25 0.00 0.00 0.00 175.76 176.36 3a9b s PRO 358 N -0.93 1.08 0.59 0.00 0.04 -1.26 -2.05 135.00 132.46 3a9b s PRO 358 Ca 0.06 -0.38 -0.18 0.00 0.04 0.00 0.00 61.00 60.54 3a9b s PRO 358 Cb -0.08 -1.93 -0.06 0.00 0.04 0.00 0.00 34.50 32.47 3a9b s PRO 358 CO 0.01 -2.10 0.82 0.39 0.04 0.00 0.00 177.00 176.17 3a9b n GLU 359 N -3.54 0.77 -1.56 4.56 -0.58 -1.26 -2.65 120.64 116.37 3a9b n GLU 359 Ca 0.13 0.30 -0.50 0.00 -0.42 0.00 0.00 57.16 56.67 3a9b n GLU 359 Cb 0.60 -2.01 -0.05 0.00 -0.57 0.00 0.00 31.44 29.41 3a9b n GLU 359 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3a9b n ALA 360 N -1.70 -1.21 0.00 0.62 0.00 -1.26 -1.11 120.51 115.85 3a9b n ALA 360 Ca 0.13 0.49 0.00 0.00 0.00 0.00 0.00 53.44 54.06 3a9b n ALA 360 Cb 0.47 -1.99 0.00 0.00 0.00 0.00 0.00 19.45 17.93 3a9b n ALA 360 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3a9b n GLY 361 N 2.06 3.13 3.81 0.00 0.00 -0.20 -4.89 105.19 109.10 3a9b n GLY 361 Ca 0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.86 3a9b n GLY 361 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3a9b s GLU 362 N -0.33 3.32 0.06 1.61 0.41 -0.26 -4.47 118.70 119.03 3a9b s GLU 362 Ca 0.00 1.10 -0.31 0.00 -0.41 0.00 0.00 54.97 55.35 3a9b s GLU 362 Cb 0.00 -2.04 -0.06 0.00 -1.78 0.00 0.00 34.13 30.26 3a9b s GLU 362 CO 0.00 -0.80 1.22 -0.46 -0.49 0.00 0.00 175.26 174.73 3a9b s TRP 363 N -2.64 3.38 -0.69 1.61 -0.11 -1.26 -0.74 118.94 118.48 3a9b s TRP 363 Ca 0.61 1.25 0.03 0.00 1.22 0.00 0.00 56.10 59.21 3a9b s TRP 363 Cb -0.15 -3.45 0.17 0.00 -1.50 0.00 0.00 33.47 28.54 3a9b s TRP 363 CO 0.41 -1.42 0.49 0.12 -4.62 0.00 0.00 176.95 171.93 3a9b s PHE 364 N 1.20 3.54 0.23 5.86 2.19 0.33 -4.86 117.98 126.46 3a9b s PHE 364 Ca 0.59 -3.21 -0.08 0.00 0.33 0.00 0.00 56.93 54.56 3a9b s PHE 364 Cb -0.30 -2.86 0.20 0.00 -1.31 0.00 0.00 43.02 38.75 3a9b s PHE 364 CO 0.29 -0.64 1.85 -0.97 1.83 0.00 0.00 175.22 177.58 3a9b h ASN 365 N 5.84 1.08 -0.58 6.13 -0.73 -1.94 -1.93 115.58 123.46 3a9b h ASN 365 Ca 0.09 -0.09 0.01 0.00 1.87 0.00 0.00 56.30 58.18 3a9b h ASN 365 Cb 0.81 -0.27 -0.03 0.00 0.27 0.00 0.00 38.32 39.09 3a9b h ASN 365 CO 0.74 0.86 0.38 -0.33 -0.37 0.00 0.00 177.43 178.71 3a9b h GLU 366 N 1.21 0.73 -0.52 6.67 3.07 -1.98 -0.74 114.58 123.02 3a9b h GLU 366 Ca 0.31 -0.04 -0.12 0.00 -0.50 0.00 0.00 59.36 59.01 3a9b h GLU 366 Cb 0.01 -0.16 -0.02 0.00 -0.84 0.00 0.00 28.75 27.74 3a9b h GLU 366 CO -0.05 0.48 -0.12 0.35 -1.40 0.00 0.00 179.01 178.26 3a9b h PHE 367 N 0.75 1.13 -0.38 4.33 3.57 -1.76 -2.55 116.94 122.03 3a9b h PHE 367 Ca 0.22 -0.24 -0.15 0.00 3.53 0.00 0.00 57.97 61.32 3a9b h PHE 367 Cb -0.04 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 38.42 3a9b h PHE 367 CO -0.00 1.06 -0.37 0.28 -2.23 0.00 0.00 178.31 177.05 3a9b h VAL 368 N 0.87 1.27 -0.61 1.41 2.07 -1.03 -0.18 116.25 120.06 3a9b h VAL 368 Ca 0.13 -1.54 0.12 0.00 0.82 0.00 0.00 66.70 66.24 3a9b h VAL 368 Cb 0.69 1.37 -0.10 0.00 -1.52 0.00 0.00 31.29 31.74 3a9b h VAL 368 CO 0.05 0.51 0.04 0.58 0.02 0.00 0.00 177.57 178.78 3a9b h VAL 369 N 0.73 0.54 -0.10 2.57 2.07 -1.07 -0.84 116.25 120.15 3a9b h VAL 369 Ca 0.06 -0.05 -0.12 0.00 0.82 0.00 0.00 66.70 67.41 3a9b h VAL 369 Cb 0.95 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 31.07 3a9b h VAL 369 CO 0.09 0.03 -0.48 0.78 0.02 0.00 0.00 177.57 178.01 3a9b h ASN 370 N 0.16 0.26 -0.94 0.57 2.35 -1.13 -1.81 115.58 115.05 3a9b h ASN 370 Ca 0.32 -0.12 0.01 0.00 -0.55 0.00 0.00 56.30 55.95 3a9b h ASN 370 Cb 0.51 -0.07 -0.05 0.00 0.05 0.00 0.00 38.32 38.76 3a9b h ASN 370 CO -0.49 0.70 0.61 -0.07 -1.65 0.00 0.00 177.43 176.54 3a9b h LEU 371 N 0.19 1.08 0.06 1.61 3.38 -0.05 0.32 115.31 121.90 3a9b h LEU 371 Ca 0.01 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 3a9b h LEU 371 Cb 0.92 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.40 3a9b h LEU 371 CO 0.07 0.79 -0.03 0.58 0.09 0.00 0.00 178.44 179.95 3a9b h VAL 372 N 1.27 1.15 -0.52 1.22 2.07 -0.98 -1.21 116.25 119.26 3a9b h VAL 372 Ca 0.34 -0.76 -0.05 0.00 0.82 0.00 0.00 66.70 67.06 3a9b h VAL 372 Cb -0.13 1.65 -0.02 0.00 -1.52 0.00 0.00 31.29 31.26 3a9b h VAL 372 CO -0.07 0.19 0.14 0.40 0.02 0.00 0.00 177.57 178.24 3a9b h ILE 373 N -0.42 1.21 -0.61 4.57 2.04 -1.15 -2.67 117.51 120.48 3a9b h ILE 373 Ca -0.01 -0.76 0.00 0.00 1.00 0.00 0.00 64.86 65.09 3a9b h ILE 373 Cb 0.37 0.68 0.00 0.00 -0.74 0.00 0.00 36.82 37.13 3a9b h ILE 373 CO 0.01 0.28 0.00 0.59 0.00 0.00 0.00 178.15 179.04 3a9b n ASN 374 N -4.29 3.52 -4.74 1.72 4.13 0.09 -4.98 115.26 110.70 3a9b n ASN 374 Ca 0.04 -2.08 -0.41 0.00 1.68 0.00 0.00 54.58 53.80 3a9b n ASN 374 Cb 0.21 -0.44 0.00 0.00 -1.54 0.00 0.00 39.78 38.01 3a9b n ASN 374 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3a9b n ALA 375 N 1.25 1.88 -3.69 5.41 0.00 -0.85 -4.23 120.51 120.28 3a9b n ALA 375 Ca 0.21 0.33 -0.15 0.00 0.00 0.00 0.00 53.44 53.83 3a9b n ALA 375 Cb 0.58 -2.35 -0.15 0.00 0.00 0.00 0.00 19.45 17.54 3a9b n ALA 375 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 3a9b s ASN 376 N -0.26 0.39 0.85 0.00 3.04 -0.44 -3.63 114.94 114.88 3a9b s ASN 376 Ca 0.55 0.39 -0.12 0.00 0.04 0.00 0.00 52.86 53.73 3a9b s ASN 376 Cb -0.51 0.34 0.11 0.00 -1.54 0.00 0.00 41.25 39.65 3a9b s ASN 376 CO 0.62 -0.21 1.17 -2.84 -3.04 0.00 0.00 177.10 172.80 3a9b s PRO 377 N 1.96 1.44 0.50 0.43 0.02 -1.26 -3.40 135.00 134.69 3a9b s PRO 377 Ca -0.01 1.62 -0.22 0.00 0.02 0.00 0.00 61.00 62.41 3a9b s PRO 377 Cb -0.12 -1.77 -0.08 0.00 0.02 0.00 0.00 34.50 32.55 3a9b s PRO 377 CO -0.07 -2.34 0.99 -2.30 -0.33 0.00 0.00 177.00 172.96 3a9b n PRO 378 N -3.70 1.18 -2.25 5.54 -0.02 -1.24 -4.89 135.00 129.62 3a9b n PRO 378 Ca 0.12 0.44 -0.41 0.00 -2.02 0.00 0.00 63.50 61.63 3a9b n PRO 378 Cb 0.51 -2.11 -0.03 0.00 -0.02 0.00 0.00 33.50 31.86 3a9b n PRO 378 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3a9b s LEU 379 N -1.15 4.42 0.09 2.45 1.43 -1.26 -5.00 118.68 119.67 3a9b s LEU 379 Ca 0.68 2.37 -0.30 0.00 -1.03 0.00 0.00 54.13 55.85 3a9b s LEU 379 Cb -0.49 -3.61 -0.05 0.00 0.03 0.00 0.00 46.19 42.07 3a9b s LEU 379 CO 0.53 -0.49 1.03 -1.61 0.23 0.00 0.00 176.35 176.04 3a9b s GLU 380 N -0.21 4.60 0.45 1.70 0.41 -1.26 -4.90 118.70 119.49 3a9b s GLU 380 Ca 0.55 1.55 -0.22 0.00 -0.41 0.00 0.00 54.97 56.44 3a9b s GLU 380 Cb -0.36 -3.37 -0.08 0.00 -1.78 0.00 0.00 34.13 28.54 3a9b s GLU 380 CO 0.38 0.05 1.06 -1.25 -0.49 0.00 0.00 175.26 175.01 3a9b s PRO 381 N 0.32 3.91 -0.33 0.39 0.04 -1.26 -4.66 135.00 133.41 3a9b s PRO 381 Ca 0.50 1.46 -0.06 0.00 0.04 0.00 0.00 61.00 62.94 3a9b s PRO 381 Cb -0.25 -2.28 0.04 0.00 0.04 0.00 0.00 34.50 32.04 3a9b s PRO 381 CO 0.30 -0.35 0.10 0.99 0.04 0.00 0.00 177.00 178.08 3a9b s THR 382 N -1.82 3.79 -0.09 1.26 2.01 -0.67 -4.91 115.64 115.21 3a9b s THR 382 Ca 0.64 -1.08 -0.03 0.00 0.31 0.00 0.00 61.69 61.53 3a9b s THR 382 Cb -0.20 -3.12 -0.03 0.00 0.01 0.00 0.00 72.50 69.16 3a9b s THR 382 CO 0.24 -0.14 0.03 -0.31 -0.69 0.00 0.00 174.62 173.76 3a9b s TYR 383 N 1.41 3.26 0.55 4.92 2.02 -1.26 -4.65 117.35 123.61 3a9b s TYR 383 Ca -0.01 0.26 -0.21 0.00 -0.37 0.00 0.00 57.07 56.75 3a9b s TYR 383 Cb -0.19 -1.81 -0.05 0.00 -0.40 0.00 0.00 41.96 39.51 3a9b s TYR 383 CO 0.03 0.53 1.25 0.00 -1.57 0.00 0.00 175.55 175.79 3a9b s ALA 384 N -0.93 2.71 -1.95 3.71 0.00 -1.26 -5.21 121.76 118.83 3a9b s ALA 384 Ca 0.14 1.11 0.00 0.00 0.00 0.00 0.00 51.96 53.21 3a9b s ALA 384 Cb -0.11 -3.48 0.00 0.00 0.00 0.00 0.00 23.12 19.53 3a9b s ALA 384 CO 0.03 -1.15 0.49 0.00 0.00 0.00 0.00 175.76 175.13