#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fjo n ARG 48 N 0.00 1.85 -2.69 1.20 1.74 -1.26 -4.85 116.66 112.65 3fjo n ARG 48 Ca 0.00 -1.46 -0.43 0.00 -0.77 0.00 0.00 57.85 55.19 3fjo n ARG 48 Cb 0.00 -1.47 -0.03 0.00 -1.02 0.00 0.00 32.46 29.94 3fjo n ARG 48 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3fjo s ASP 49 N -2.16 6.44 0.20 0.55 -1.08 -1.26 0.12 116.67 119.48 3fjo s ASP 49 Ca 0.26 0.02 -0.08 0.00 -0.52 0.00 0.00 52.55 52.23 3fjo s ASP 49 Cb 0.20 -2.51 0.13 0.00 -1.46 0.00 0.00 42.92 39.28 3fjo s ASP 49 CO 0.39 -1.33 1.70 -0.29 0.52 0.00 0.00 175.17 176.16 3fjo h ILE 50 N 6.12 1.26 -0.35 4.11 6.09 -1.88 -0.09 117.51 132.77 3fjo h ILE 50 Ca -0.25 -1.04 -0.17 0.00 -1.37 0.00 0.00 64.86 62.03 3fjo h ILE 50 Cb 1.06 0.65 -0.00 0.00 0.47 0.00 0.00 36.82 39.00 3fjo h ILE 50 CO 1.13 0.39 -0.43 0.00 -3.07 0.00 0.00 178.15 176.17 3fjo h ALA 51 N 1.08 0.57 0.43 0.18 0.00 -1.89 -1.86 119.26 117.78 3fjo h ALA 51 Ca 0.20 -0.47 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 3fjo h ALA 51 Cb 0.45 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 3fjo h ALA 51 CO 0.01 0.68 -0.28 0.37 0.00 0.00 0.00 179.25 180.03 3fjo h GLN 52 N 0.71 -0.66 -0.84 0.00 4.15 -1.83 -2.24 115.11 114.40 3fjo h GLN 52 Ca 0.05 0.05 -0.01 0.00 0.77 0.00 0.00 58.65 59.50 3fjo h GLN 52 Cb 1.02 0.15 -0.04 0.00 0.21 0.00 0.00 27.48 28.82 3fjo h GLN 52 CO 0.10 -0.44 0.49 0.28 -1.93 0.00 0.00 178.83 177.33 3fjo h VAL 53 N -0.69 1.24 -0.23 2.39 2.07 -1.04 -0.02 116.25 119.97 3fjo h VAL 53 Ca -0.05 -0.54 -0.01 0.00 0.82 0.00 0.00 66.70 66.92 3fjo h VAL 53 Cb 0.57 0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.40 3fjo h VAL 53 CO 0.04 0.25 0.10 0.58 0.02 0.00 0.00 177.57 178.56 3fjo h VAL 54 N 1.16 1.16 0.61 2.57 2.07 -1.28 -2.63 116.25 119.91 3fjo h VAL 54 Ca 0.30 -0.47 -0.03 0.00 0.82 0.00 0.00 66.70 67.32 3fjo h VAL 54 Cb -0.02 1.04 0.01 0.00 -1.52 0.00 0.00 31.29 30.79 3fjo h VAL 54 CO -0.05 0.16 -0.29 0.71 0.02 0.00 0.00 177.57 178.11 3fjo h THR 55 N 0.23 0.27 -0.93 2.57 1.35 -1.04 -2.31 112.91 113.05 3fjo h THR 55 Ca 0.08 -0.30 0.14 0.00 -0.55 0.00 0.00 66.41 65.78 3fjo h THR 55 Cb 0.16 0.35 -0.15 0.00 -1.73 0.00 0.00 68.15 66.78 3fjo h THR 55 CO -0.01 0.03 -0.38 -0.62 -0.25 0.00 0.00 175.52 174.30 3fjo n GLU 56 N -5.36 -0.23 -0.10 4.72 1.02 -0.05 -0.98 120.64 119.66 3fjo n GLU 56 Ca -0.12 1.43 0.08 0.00 -0.02 0.00 0.00 57.16 58.53 3fjo n GLU 56 Cb 0.35 -2.12 0.29 0.00 -0.02 0.00 0.00 31.44 29.95 3fjo n GLU 56 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3fjo n ASN 57 N -5.36 1.40 -3.44 1.62 3.02 -0.99 -4.92 115.26 106.59 3fjo n ASN 57 Ca 0.09 -1.79 -0.20 0.00 -0.03 0.00 0.00 54.58 52.65 3fjo n ASN 57 Cb 0.36 -0.13 0.08 0.00 -0.61 0.00 0.00 39.78 39.49 3fjo n ASN 57 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3fjo n ASN 58 N 0.19 -4.39 -4.74 6.41 3.02 -0.15 -4.98 115.26 110.61 3fjo n ASN 58 Ca 0.13 -0.56 -0.40 0.00 -0.03 0.00 0.00 54.58 53.72 3fjo n ASN 58 Cb 0.26 -4.94 -0.05 0.00 -0.61 0.00 0.00 39.78 34.44 3fjo n ASN 58 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3fjo s LYS 59 N -5.85 4.73 0.16 3.52 -0.14 -0.89 -4.85 119.74 116.42 3fjo s LYS 59 Ca 0.32 1.40 0.25 0.00 -1.36 0.00 0.00 55.97 56.58 3fjo s LYS 59 Cb -0.14 -3.32 0.48 0.00 -1.68 0.00 0.00 37.83 33.17 3fjo s LYS 59 CO 0.71 0.38 1.47 -0.91 -0.76 0.00 0.00 175.35 176.23 3fjo h ASN 60 N 4.88 0.00 -3.49 2.83 2.35 -0.24 -3.46 115.58 118.45 3fjo h ASN 60 Ca -0.44 -0.13 0.01 0.00 -0.55 0.00 0.00 56.30 55.19 3fjo h ASN 60 Cb 1.21 0.00 -0.23 0.00 0.05 0.00 0.00 38.32 39.35 3fjo h ASN 60 CO 0.70 0.07 0.21 -0.47 -1.65 0.00 0.00 177.43 176.28 3fjo s TYR 61 N -3.15 -0.74 -0.13 1.19 5.04 -1.18 -4.39 117.35 113.98 3fjo s TYR 61 Ca 0.07 1.71 0.01 0.00 -2.44 0.00 0.00 57.07 56.42 3fjo s TYR 61 Cb 0.13 0.37 -0.01 0.00 0.35 0.00 0.00 41.96 42.80 3fjo s TYR 61 CO 0.68 -0.36 -0.16 -1.17 -1.34 0.00 0.00 175.55 173.20 3fjo s LEU 62 N 0.65 2.49 -0.22 6.97 2.96 -0.52 -1.65 118.68 129.37 3fjo s LEU 62 Ca -0.02 -0.43 -0.03 0.00 -0.22 0.00 0.00 54.13 53.43 3fjo s LEU 62 Cb -0.05 -1.55 0.00 0.00 0.50 0.00 0.00 46.19 45.10 3fjo s LEU 62 CO -0.06 0.13 -0.07 -0.69 -1.32 0.00 0.00 176.35 174.34 3fjo s VAL 63 N 0.53 3.03 0.08 1.68 1.01 -0.14 -0.43 120.40 126.17 3fjo s VAL 63 Ca -0.10 -0.69 0.05 0.00 0.00 0.00 0.00 61.98 61.23 3fjo s VAL 63 Cb -0.16 -2.40 -0.04 0.00 0.00 0.00 0.00 36.38 33.78 3fjo s VAL 63 CO 0.04 0.39 -0.03 -0.76 0.00 0.00 0.00 175.10 174.75 3fjo s LEU 64 N 1.41 3.36 0.02 3.92 1.43 0.20 -1.60 118.68 127.43 3fjo s LEU 64 Ca 0.04 -0.21 -0.01 0.00 -1.03 0.00 0.00 54.13 52.93 3fjo s LEU 64 Cb -0.15 -2.08 -0.02 0.00 0.03 0.00 0.00 46.19 43.97 3fjo s LEU 64 CO -0.05 0.19 -0.02 -0.72 0.23 0.00 0.00 176.35 175.98 3fjo s TYR 65 N -1.25 0.28 -0.10 0.29 -0.85 -0.94 -0.96 117.35 113.81 3fjo s TYR 65 Ca 0.24 -0.57 0.00 0.00 -0.52 0.00 0.00 57.07 56.22 3fjo s TYR 65 Cb -0.11 -0.20 0.02 0.00 0.38 0.00 0.00 41.96 42.04 3fjo s TYR 65 CO 0.16 -0.23 -0.08 0.00 -1.52 0.00 0.00 175.55 173.88 3fjo s ALA 66 N -1.79 1.29 -0.26 9.51 0.00 -0.26 -1.03 121.76 129.22 3fjo s ALA 66 Ca -0.13 -0.50 -0.10 0.00 0.00 0.00 0.00 51.96 51.24 3fjo s ALA 66 Cb -0.07 -0.82 0.11 0.00 0.00 0.00 0.00 23.12 22.34 3fjo s ALA 66 CO -0.02 -0.28 0.57 0.45 0.00 0.00 0.00 175.76 176.47 3fjo s SER 67 N 1.45 -0.80 -0.08 0.00 0.15 -1.26 -2.49 113.70 110.66 3fjo s SER 67 Ca 0.00 1.34 -0.17 0.00 0.70 0.00 0.00 55.95 57.82 3fjo s SER 67 Cb -0.13 1.77 -0.29 0.00 -1.71 0.00 0.00 66.02 65.66 3fjo s SER 67 CO -0.05 -0.22 0.66 -0.61 1.20 0.00 0.00 173.24 174.22 3fjo h GLN 68 N 7.84 0.27 0.00 5.44 5.75 -1.95 -3.41 115.11 129.06 3fjo h GLN 68 Ca -0.20 -0.47 0.00 0.00 -0.15 0.00 0.00 58.65 57.83 3fjo h GLN 68 Cb 1.13 0.17 0.00 0.00 1.07 0.00 0.00 27.48 29.85 3fjo h GLN 68 CO 0.13 1.22 -0.02 2.41 -2.65 0.00 0.00 178.83 179.93 3fjo n THR 69 N -3.96 1.27 -0.46 2.39 -1.04 -1.26 -5.02 114.28 106.20 3fjo n THR 69 Ca -0.22 -1.41 0.00 0.00 -2.04 0.00 0.00 64.05 60.38 3fjo n THR 69 Cb 0.89 0.24 0.00 0.00 -1.82 0.00 0.00 70.33 69.64 3fjo n THR 69 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3fjo n GLY 70 N -0.82 0.74 0.07 3.41 0.00 -1.26 -4.95 105.19 102.37 3fjo n GLY 70 Ca 0.06 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.94 3fjo n GLY 70 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3fjo h THR 71 N 0.00 1.63 -0.91 2.61 2.02 -1.95 -1.92 112.91 114.38 3fjo h THR 71 Ca 0.00 -1.88 0.03 0.00 0.77 0.00 0.00 66.41 65.33 3fjo h THR 71 Cb 0.00 2.89 -0.05 0.00 -1.74 0.00 0.00 68.15 69.25 3fjo h THR 71 CO 0.00 0.49 0.59 0.00 0.37 0.00 0.00 175.52 176.98 3fjo h ALA 72 N 0.21 1.21 -0.10 6.16 0.00 -1.92 -1.65 119.26 123.16 3fjo h ALA 72 Ca -0.00 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.88 3fjo h ALA 72 Cb 0.82 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 3fjo h ALA 72 CO 0.01 0.46 -0.02 1.49 0.00 0.00 0.00 179.25 181.18 3fjo h GLU 73 N 1.15 0.01 -0.29 0.00 4.81 -1.87 0.83 114.58 119.21 3fjo h GLU 73 Ca 0.36 -0.00 0.05 0.00 -0.13 0.00 0.00 59.36 59.65 3fjo h GLU 73 Cb 0.00 -0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.33 3fjo h GLU 73 CO -0.12 0.00 -0.02 -0.44 -0.73 0.00 0.00 179.01 177.70 3fjo h ASP 74 N 0.01 -0.16 0.39 1.04 3.32 -0.88 -0.98 116.42 119.17 3fjo h ASP 74 Ca 0.05 0.07 -0.20 0.00 0.02 0.00 0.00 57.03 56.97 3fjo h ASP 74 Cb 0.07 0.14 -0.00 0.00 0.22 0.00 0.00 39.33 39.75 3fjo h ASP 74 CO -0.10 -0.05 -0.84 1.88 -1.72 0.00 0.00 179.24 178.42 3fjo h TYR 75 N 0.06 0.47 -0.66 4.55 -1.99 -1.23 -0.36 116.97 117.81 3fjo h TYR 75 Ca 0.14 -0.24 0.03 0.00 2.00 0.00 0.00 58.73 60.67 3fjo h TYR 75 Cb 0.20 -0.06 -0.04 0.00 2.00 0.00 0.00 36.73 38.83 3fjo h TYR 75 CO -0.24 1.03 0.44 0.00 -0.00 0.00 0.00 178.16 179.39 3fjo h ALA 76 N 0.90 1.63 -0.03 3.88 0.00 -0.64 -1.37 119.26 123.63 3fjo h ALA 76 Ca -0.05 -0.03 -0.17 0.00 0.00 0.00 0.00 54.91 54.66 3fjo h ALA 76 Cb 1.45 -0.22 0.01 0.00 0.00 0.00 0.00 17.79 19.03 3fjo h ALA 76 CO 0.14 0.30 -0.66 0.87 0.00 0.00 0.00 179.25 179.90 3fjo h LYS 77 N 0.79 0.49 -0.97 0.00 1.57 -0.92 -2.64 116.57 114.90 3fjo h LYS 77 Ca 0.27 -0.49 0.08 0.00 -1.87 0.00 0.00 60.65 58.63 3fjo h LYS 77 Cb 0.08 0.13 -0.07 0.00 0.08 0.00 0.00 32.23 32.45 3fjo h LYS 77 CO -0.07 1.13 0.62 0.87 -0.57 0.00 0.00 179.45 181.43 3fjo h LYS 78 N 0.04 1.06 -0.05 3.15 1.57 -0.82 -1.71 116.57 119.81 3fjo h LYS 78 Ca -0.07 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.63 3fjo h LYS 78 Cb 1.34 -0.24 -0.00 0.00 0.08 0.00 0.00 32.23 33.41 3fjo h LYS 78 CO 0.13 0.70 -0.03 0.35 -0.57 0.00 0.00 179.45 180.02 3fjo h PHE 79 N 1.09 0.13 -0.21 -1.35 3.57 -1.29 -2.57 116.94 116.31 3fjo h PHE 79 Ca 0.43 -0.04 0.06 0.00 3.53 0.00 0.00 57.97 61.95 3fjo h PHE 79 Cb 0.24 -0.03 -0.07 0.00 2.79 0.00 0.00 35.95 38.88 3fjo h PHE 79 CO -0.00 0.53 -0.29 0.77 -2.23 0.00 0.00 178.31 177.09 3fjo h SER 80 N -0.30 -0.92 -1.01 0.41 0.02 -1.29 0.25 113.55 110.71 3fjo h SER 80 Ca 0.01 0.15 0.23 0.00 -0.84 0.00 0.00 61.79 61.33 3fjo h SER 80 Cb 0.50 0.41 -0.11 0.00 0.14 0.00 0.00 62.40 63.34 3fjo h SER 80 CO 0.01 -0.32 0.62 0.11 -1.14 0.00 0.00 176.83 176.11 3fjo h LYS 81 N -0.32 0.59 0.03 3.45 1.57 -1.29 -1.50 116.57 119.10 3fjo h LYS 81 Ca 0.12 -0.04 -0.27 0.00 -1.87 0.00 0.00 60.65 58.60 3fjo h LYS 81 Cb 0.51 -0.13 0.02 0.00 0.08 0.00 0.00 32.23 32.71 3fjo h LYS 81 CO -0.39 0.39 -1.08 1.49 -0.57 0.00 0.00 179.45 179.29 3fjo h GLU 82 N 0.60 0.68 -0.55 3.15 4.81 -0.71 -1.96 114.58 120.60 3fjo h GLU 82 Ca 0.60 -0.77 0.11 0.00 -0.13 0.00 0.00 59.36 59.17 3fjo h GLU 82 Cb 1.15 0.23 -0.10 0.00 0.63 0.00 0.00 28.75 30.66 3fjo h GLU 82 CO -0.38 1.34 -0.07 -0.07 -0.73 0.00 0.00 179.01 179.09 3fjo h LEU 83 N 0.35 -0.39 -0.20 1.64 4.07 0.28 -2.13 115.31 118.93 3fjo h LEU 83 Ca -0.14 0.15 -0.07 0.00 0.08 0.00 0.00 57.88 57.90 3fjo h LEU 83 Cb 1.74 0.29 -0.00 0.00 1.08 0.00 0.00 40.66 43.77 3fjo h LEU 83 CO 0.21 -0.14 -0.14 0.58 -1.08 0.00 0.00 178.44 177.87 3fjo h VAL 84 N 0.05 1.32 -0.06 1.22 2.07 -1.33 -0.92 116.25 118.60 3fjo h VAL 84 Ca 0.27 -1.25 0.01 0.00 0.82 0.00 0.00 66.70 66.56 3fjo h VAL 84 Cb 0.43 1.69 -0.00 0.00 -1.52 0.00 0.00 31.29 31.88 3fjo h VAL 84 CO -0.52 0.38 0.04 0.00 0.02 0.00 0.00 177.57 177.49 3fjo h ALA 85 N 0.68 2.03 0.00 1.67 0.00 -1.12 -0.01 119.26 122.51 3fjo h ALA 85 Ca 0.04 -0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.69 3fjo h ALA 85 Cb 0.65 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.39 3fjo h ALA 85 CO 0.04 -0.04 -1.95 1.63 0.00 0.00 0.00 179.25 178.93 3fjo n LYS 86 N -4.52 1.71 0.00 0.00 5.02 -0.82 -4.65 118.16 114.90 3fjo n LYS 86 Ca -0.02 -0.00 0.02 0.00 -2.02 0.00 0.00 58.31 56.29 3fjo n LYS 86 Cb 0.13 -1.36 -0.00 0.00 -0.02 0.00 0.00 35.03 33.78 3fjo n LYS 86 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 3fjo n PHE 87 N -2.52 0.00 -3.86 2.13 0.99 -0.35 -1.66 117.46 112.18 3fjo n PHE 87 Ca -0.23 0.00 -0.30 0.00 -0.00 0.00 0.00 57.45 56.92 3fjo n PHE 87 Cb 0.95 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 39.43 3fjo n PHE 87 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.76 175.05 3fjo n ASN 88 N -0.40 -4.11 -4.80 4.37 5.15 -0.02 -4.97 115.26 110.49 3fjo n ASN 88 Ca 0.02 -0.74 -0.29 0.00 -0.60 0.00 0.00 54.58 52.96 3fjo n ASN 88 Cb 0.08 -3.33 0.11 0.00 -0.53 0.00 0.00 39.78 36.12 3fjo n ASN 88 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 3fjo s LEU 89 N -7.07 2.30 -0.45 1.20 1.43 -1.26 -5.02 118.68 109.81 3fjo s LEU 89 Ca 0.62 1.09 -0.10 0.00 -1.03 0.00 0.00 54.13 54.71 3fjo s LEU 89 Cb -0.32 -3.55 0.09 0.00 0.03 0.00 0.00 46.19 42.44 3fjo s LEU 89 CO 0.77 -2.25 0.32 0.21 0.23 0.00 0.00 176.35 175.63 3fjo s ASN 90 N -4.03 5.76 -0.14 2.29 2.47 -1.26 -4.72 114.94 115.31 3fjo s ASN 90 Ca 0.62 -1.63 -0.06 0.00 0.42 0.00 0.00 52.86 52.22 3fjo s ASN 90 Cb -0.14 -2.03 -0.04 0.00 -1.45 0.00 0.00 41.25 37.58 3fjo s ASN 90 CO 0.53 -0.62 0.07 -0.69 -3.72 0.00 0.00 177.10 172.67 3fjo s VAL 91 N 1.45 4.86 -0.11 -5.21 1.01 -1.26 0.56 120.40 121.69 3fjo s VAL 91 Ca 0.04 -0.03 -0.06 0.00 0.00 0.00 0.00 61.98 61.93 3fjo s VAL 91 Cb -0.25 -3.13 -0.04 0.00 0.00 0.00 0.00 36.38 32.97 3fjo s VAL 91 CO 0.02 0.55 0.13 -0.32 0.00 0.00 0.00 175.10 175.47 3fjo s MET 92 N -0.38 3.40 -0.24 2.72 1.75 -0.66 -5.00 119.30 120.90 3fjo s MET 92 Ca 0.09 -0.16 -0.01 0.00 -1.25 0.00 0.00 55.69 54.36 3fjo s MET 92 Cb -0.12 -3.15 0.07 0.00 2.84 0.00 0.00 34.83 34.47 3fjo s MET 92 CO 0.02 0.77 0.03 0.00 -0.65 0.00 0.00 175.02 175.19 3fjo s ALA 94 N 1.67 1.42 -0.34 0.00 0.00 -0.62 -5.02 121.76 118.86 3fjo s ALA 94 Ca 0.01 -1.04 -0.29 0.00 0.00 0.00 0.00 51.96 50.64 3fjo s ALA 94 Cb -0.18 -0.18 0.02 0.00 0.00 0.00 0.00 23.12 22.78 3fjo s ALA 94 CO -0.13 0.26 1.08 0.34 0.00 0.00 0.00 175.76 177.31 3fjo s ASP 95 N -1.61 6.89 0.31 0.00 3.68 -1.26 -2.21 116.67 122.47 3fjo s ASP 95 Ca 0.02 0.98 0.21 0.00 2.13 0.00 0.00 52.55 55.89 3fjo s ASP 95 Cb -0.09 -2.54 1.08 0.00 -1.45 0.00 0.00 42.92 39.91 3fjo s ASP 95 CO 0.03 -0.92 1.18 0.52 0.13 0.00 0.00 175.17 176.11 3fjo n VAL 96 N 5.98 -0.24 0.23 1.11 0.31 -0.19 -1.31 118.33 124.21 3fjo n VAL 96 Ca 0.12 1.43 0.15 0.00 -0.01 0.00 0.00 64.34 66.03 3fjo n VAL 96 Cb 0.47 -2.34 0.82 0.00 -0.91 0.00 0.00 33.84 31.89 3fjo n VAL 96 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 3fjo h GLU 97 N 0.00 0.00 -0.64 5.55 5.08 -1.83 -2.99 114.58 119.75 3fjo h GLU 97 Ca 0.65 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 59.01 3fjo h GLU 97 Cb 1.95 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.20 3fjo h GLU 97 CO -0.45 0.00 0.00 0.09 -1.00 0.00 0.00 179.01 177.65 3fjo n ASN 98 N -2.56 3.71 -4.03 1.42 3.02 -0.43 -4.98 115.26 111.41 3fjo n ASN 98 Ca -0.02 -2.00 -0.09 0.00 -0.03 0.00 0.00 54.58 52.44 3fjo n ASN 98 Cb 0.06 -0.42 -0.11 0.00 -0.61 0.00 0.00 39.78 38.70 3fjo n ASN 98 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 3fjo s TYR 99 N -1.01 0.41 0.04 3.10 1.51 -1.13 -4.58 117.35 115.68 3fjo s TYR 99 Ca 0.43 -0.73 -0.11 0.00 -1.01 0.00 0.00 57.07 55.65 3fjo s TYR 99 Cb 0.22 -0.29 -0.06 0.00 -0.11 0.00 0.00 41.96 41.73 3fjo s TYR 99 CO 0.29 -0.24 0.38 -0.51 -1.11 0.00 0.00 175.55 174.36 3fjo s ASP 100 N -2.03 6.67 -0.14 2.29 1.01 0.33 -4.82 116.67 119.98 3fjo s ASP 100 Ca -0.07 0.81 0.16 0.00 0.71 0.00 0.00 52.55 54.17 3fjo s ASP 100 Cb -0.03 -2.19 0.43 0.00 1.01 0.00 0.00 42.92 42.14 3fjo s ASP 100 CO -0.04 0.24 1.32 0.49 0.21 0.00 0.00 175.17 177.39 3fjo n PHE 101 N 1.28 0.63 0.31 4.23 3.01 -1.26 -3.37 117.46 122.29 3fjo n PHE 101 Ca -0.11 -0.86 0.19 0.00 1.01 0.00 0.00 57.45 57.69 3fjo n PHE 101 Cb 0.52 -0.24 1.01 0.00 -0.01 0.00 0.00 39.48 40.76 3fjo n PHE 101 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 3fjo h GLU 102 N 1.32 0.00 -0.49 -1.08 3.07 -1.96 -0.83 114.58 114.61 3fjo h GLU 102 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3fjo h GLU 102 Cb 1.23 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.14 3fjo h GLU 102 CO 0.14 0.02 0.00 -1.13 -1.40 0.00 0.00 179.01 176.64 3fjo n SER 103 N -3.29 4.79 -0.35 1.42 3.41 -1.26 -4.67 113.62 113.68 3fjo n SER 103 Ca -0.02 -2.78 0.15 0.00 -0.26 0.00 0.00 58.87 55.95 3fjo n SER 103 Cb 0.14 -0.59 0.35 0.00 -0.26 0.00 0.00 64.21 63.85 3fjo n SER 103 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 3fjo h LEU 104 N 3.25 0.73 -1.25 1.04 6.46 -1.48 0.15 115.31 124.21 3fjo h LEU 104 Ca 0.00 0.11 0.00 0.00 -0.12 0.00 0.00 57.88 57.87 3fjo h LEU 104 Cb 1.62 -0.02 0.00 0.00 -0.73 0.00 0.00 40.66 41.53 3fjo h LEU 104 CO 0.32 0.22 0.00 -1.13 -0.62 0.00 0.00 178.44 177.23 3fjo h ASN 105 N 0.69 0.00 -0.37 1.25 -0.00 -1.83 -2.73 115.58 112.59 3fjo h ASN 105 Ca 0.60 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.90 3fjo h ASN 105 Cb 1.02 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.34 3fjo h ASN 105 CO -0.40 0.00 0.00 0.47 -0.00 0.00 0.00 177.43 177.50 3fjo n ASP 106 N -2.54 3.08 -4.64 1.15 8.00 0.50 -4.56 116.55 117.54 3fjo n ASP 106 Ca 0.01 -1.94 -0.43 0.00 0.71 0.00 0.00 54.79 53.14 3fjo n ASP 106 Cb 0.20 -0.24 -0.02 0.00 -0.02 0.00 0.00 41.12 41.04 3fjo n ASP 106 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3fjo s VAL 107 N -1.52 4.03 -1.70 2.53 1.01 -1.03 -4.89 120.40 118.82 3fjo s VAL 107 Ca 0.38 1.20 0.10 0.00 0.00 0.00 0.00 61.98 63.66 3fjo s VAL 107 Cb 0.22 -3.94 0.32 0.00 0.00 0.00 0.00 36.38 32.98 3fjo s VAL 107 CO 0.30 -0.29 1.22 -0.81 0.00 0.00 0.00 175.10 175.52 3fjo n PRO 108 N 7.15 2.03 -4.50 2.72 -0.04 -1.26 -4.85 135.00 136.24 3fjo n PRO 108 Ca 0.16 -1.29 -0.26 0.00 -0.04 0.00 0.00 63.50 62.06 3fjo n PRO 108 Cb 0.45 -1.40 -0.10 0.00 -0.04 0.00 0.00 33.50 32.41 3fjo n PRO 108 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3fjo s VAL 109 N -1.60 2.24 0.20 0.52 -7.23 -1.26 -5.06 120.40 108.21 3fjo s VAL 109 Ca 0.24 -2.06 -0.30 0.00 -1.81 0.00 0.00 61.98 58.04 3fjo s VAL 109 Cb 0.14 -2.81 -0.09 0.00 0.56 0.00 0.00 36.38 34.17 3fjo s VAL 109 CO 0.14 -0.12 1.37 -0.63 -0.31 0.00 0.00 175.10 175.54 3fjo s ILE 110 N -2.62 3.03 -0.22 -0.62 1.01 -1.26 -4.75 121.20 115.76 3fjo s ILE 110 Ca 0.34 0.83 -0.05 0.00 0.00 0.00 0.00 60.65 61.78 3fjo s ILE 110 Cb 0.04 -3.53 -0.02 0.00 0.01 0.00 0.00 42.46 38.96 3fjo s ILE 110 CO 0.18 0.12 -0.01 -0.69 0.00 0.00 0.00 174.94 174.54 3fjo s VAL 111 N 0.21 3.72 0.10 2.92 1.01 -0.70 -1.43 120.40 126.23 3fjo s VAL 111 Ca 0.59 -0.38 -0.17 0.00 0.00 0.00 0.00 61.98 62.01 3fjo s VAL 111 Cb -0.38 -2.70 -0.07 0.00 0.00 0.00 0.00 36.38 33.23 3fjo s VAL 111 CO 0.39 0.41 0.56 -0.44 0.00 0.00 0.00 175.10 176.02 3fjo s SER 112 N 1.34 6.98 -0.10 3.32 0.01 0.43 -1.32 113.70 124.36 3fjo s SER 112 Ca 0.04 1.20 0.00 0.00 1.31 0.00 0.00 55.95 58.50 3fjo s SER 112 Cb -0.15 -2.34 0.02 0.00 0.21 0.00 0.00 66.02 63.77 3fjo s SER 112 CO -0.00 0.21 -0.09 -0.63 0.41 0.00 0.00 173.24 173.14 3fjo s ILE 113 N -1.25 1.04 -0.20 1.44 1.01 -0.34 -0.63 121.20 122.28 3fjo s ILE 113 Ca 0.32 -0.33 -0.05 0.00 0.00 0.00 0.00 60.65 60.60 3fjo s ILE 113 Cb -0.18 -1.03 -0.03 0.00 0.01 0.00 0.00 42.46 41.24 3fjo s ILE 113 CO 0.19 0.36 0.00 -0.36 0.00 0.00 0.00 174.94 175.13 3fjo s PHE 114 N 1.46 3.05 -0.09 3.97 0.40 -0.13 -1.41 117.98 125.23 3fjo s PHE 114 Ca 0.00 -0.41 -0.07 0.00 -0.60 0.00 0.00 56.93 55.86 3fjo s PHE 114 Cb -0.13 -2.07 0.03 0.00 0.51 0.00 0.00 43.02 41.35 3fjo s PHE 114 CO -0.05 -0.20 0.23 -1.50 0.70 0.00 0.00 175.22 174.40 3fjo s ILE 115 N 0.91 -0.01 0.18 0.64 2.07 -1.02 -1.11 121.20 122.85 3fjo s ILE 115 Ca 0.01 0.04 0.05 0.00 -1.41 0.00 0.00 60.65 59.34 3fjo s ILE 115 Cb -0.14 -0.33 -0.04 0.00 0.13 0.00 0.00 42.46 42.08 3fjo s ILE 115 CO 0.02 0.02 0.17 -0.44 -1.91 0.00 0.00 174.94 172.79 3fjo s SER 116 N 0.40 5.64 -0.05 4.50 0.01 -1.04 0.22 113.70 123.38 3fjo s SER 116 Ca -0.02 -0.11 -0.00 0.00 1.31 0.00 0.00 55.95 57.13 3fjo s SER 116 Cb -0.04 -1.50 -0.03 0.00 0.21 0.00 0.00 66.02 64.66 3fjo s SER 116 CO -0.02 0.05 -0.01 -0.89 0.41 0.00 0.00 173.24 172.78 3fjo s THR 117 N -1.81 4.15 0.00 1.44 2.01 -0.83 -3.90 115.64 116.71 3fjo s THR 117 Ca 0.32 -0.40 0.00 0.00 0.31 0.00 0.00 61.69 61.91 3fjo s THR 117 Cb -0.10 -2.77 0.00 0.00 0.01 0.00 0.00 72.50 69.64 3fjo s THR 117 CO 0.24 0.53 0.20 -1.22 -0.69 0.00 0.00 174.62 173.69 3fjo n TYR 118 N 1.91 0.00 0.00 4.92 4.02 -0.76 -4.92 117.16 122.33 3fjo n TYR 118 Ca -0.17 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.72 3fjo n TYR 118 Cb 0.53 0.04 0.00 0.00 -0.02 0.00 0.00 39.34 39.89 3fjo n TYR 118 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3fjo n GLY 119 N 0.00 0.66 2.73 2.72 0.00 -1.26 -4.88 105.19 105.16 3fjo n GLY 119 Ca 0.00 0.22 -0.36 0.00 0.00 0.00 0.00 46.02 45.87 3fjo n GLY 119 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3fjo n GLU 120 N 0.00 2.91 -1.84 1.61 0.00 -1.26 -4.65 120.64 117.41 3fjo n GLU 120 Ca 0.00 -3.72 -0.06 0.00 0.00 0.00 0.00 57.16 53.39 3fjo n GLU 120 Cb 0.00 -2.27 -0.01 0.00 0.00 0.00 0.00 31.44 29.16 3fjo n GLU 120 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3fjo n GLY 121 N -0.58 0.32 3.89 8.31 0.00 -1.26 -4.97 105.19 110.90 3fjo n GLY 121 Ca 0.52 -0.70 -0.30 0.00 0.00 0.00 0.00 46.02 45.54 3fjo n GLY 121 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3fjo s ASP 122 N -2.80 5.17 0.73 1.61 1.01 -1.26 -3.00 116.67 118.13 3fjo s ASP 122 Ca 0.00 1.04 -0.10 0.00 0.71 0.00 0.00 52.55 54.20 3fjo s ASP 122 Cb 0.00 -1.75 0.05 0.00 1.01 0.00 0.00 42.92 42.22 3fjo s ASP 122 CO 0.00 -1.51 1.09 -0.36 0.21 0.00 0.00 175.17 174.60 3fjo s PHE 123 N -3.42 3.11 0.49 4.23 0.40 -1.26 -1.82 117.98 119.71 3fjo s PHE 123 Ca 0.59 0.79 -0.24 0.00 -0.60 0.00 0.00 56.93 57.47 3fjo s PHE 123 Cb -0.11 -3.21 -0.07 0.00 0.51 0.00 0.00 43.02 40.14 3fjo s PHE 123 CO 0.51 -1.39 1.37 -0.35 0.70 0.00 0.00 175.22 176.06 3fjo n PRO 124 N -3.05 1.95 0.27 0.24 -0.04 -1.25 -4.54 135.00 128.57 3fjo n PRO 124 Ca 0.07 0.70 0.13 0.00 -0.04 0.00 0.00 63.50 64.36 3fjo n PRO 124 Cb 0.59 -2.57 0.79 0.00 -0.04 0.00 0.00 33.50 32.27 3fjo n PRO 124 CO 0.00 0.00 0.00 0.38 -0.04 0.00 0.00 175.50 175.84 3fjo h ASP 125 N 1.85 0.00 0.48 3.54 3.04 -1.96 -0.01 116.42 123.36 3fjo h ASP 125 Ca -0.50 0.00 -0.06 0.00 -3.24 0.00 0.00 57.03 53.22 3fjo h ASP 125 Cb 1.29 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 39.57 3fjo h ASP 125 CO 0.59 0.00 -0.30 1.23 -2.04 0.00 0.00 179.24 178.71 3fjo h GLY 126 N 0.00 0.00 -2.70 7.15 0.00 -1.94 -3.13 103.07 102.45 3fjo h GLY 126 Ca 0.01 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.25 3fjo h GLY 126 CO -0.00 0.00 0.12 0.00 0.00 0.00 0.00 176.54 176.66 3fjo n ALA 127 N -2.38 3.63 -0.23 3.60 0.00 -0.02 -4.57 120.51 120.54 3fjo n ALA 127 Ca -0.01 -1.30 0.01 0.00 0.00 0.00 0.00 53.44 52.14 3fjo n ALA 127 Cb 0.38 -1.13 0.09 0.00 0.00 0.00 0.00 19.45 18.79 3fjo n ALA 127 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3fjo h VAL 128 N 1.78 0.35 -0.78 0.00 2.07 -1.66 -1.42 116.25 116.59 3fjo h VAL 128 Ca 0.12 -0.01 -0.04 0.00 0.82 0.00 0.00 66.70 67.58 3fjo h VAL 128 Cb 1.60 0.32 -0.03 0.00 -1.52 0.00 0.00 31.29 31.65 3fjo h VAL 128 CO 0.40 0.00 0.32 0.78 0.02 0.00 0.00 177.57 179.09 3fjo h ASN 129 N 0.02 1.07 -0.71 0.57 -0.26 -1.90 0.11 115.58 114.49 3fjo h ASN 129 Ca 0.33 -0.16 -0.04 0.00 -0.56 0.00 0.00 56.30 55.87 3fjo h ASN 129 Cb 0.53 -0.28 -0.03 0.00 -1.06 0.00 0.00 38.32 37.48 3fjo h ASN 129 CO -0.67 0.95 0.29 0.15 -1.06 0.00 0.00 177.43 177.08 3fjo h PHE 130 N 1.14 1.09 -0.12 1.19 3.57 -1.69 -2.70 116.94 119.43 3fjo h PHE 130 Ca 0.26 -0.08 -0.04 0.00 3.53 0.00 0.00 57.97 61.65 3fjo h PHE 130 Cb 0.21 -0.33 -0.00 0.00 2.79 0.00 0.00 35.95 38.61 3fjo h PHE 130 CO 0.02 0.83 -0.07 1.49 -2.23 0.00 0.00 178.31 178.35 3fjo h GLU 131 N 1.05 0.26 -0.10 1.11 4.81 -0.41 -2.66 114.58 118.64 3fjo h GLU 131 Ca 0.24 -0.12 0.03 0.00 -0.13 0.00 0.00 59.36 59.38 3fjo h GLU 131 Cb 0.20 -0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.58 3fjo h GLU 131 CO -0.02 0.62 0.07 -0.44 -0.73 0.00 0.00 179.01 178.52 3fjo h ASP 132 N -0.10 0.00 0.02 1.04 5.19 -0.76 -1.70 116.42 120.10 3fjo h ASP 132 Ca 0.02 0.00 -0.23 0.00 -0.62 0.00 0.00 57.03 56.20 3fjo h ASP 132 Cb 0.55 0.00 0.02 0.00 0.18 0.00 0.00 39.33 40.08 3fjo h ASP 132 CO 0.02 0.00 -0.91 0.15 -3.12 0.00 0.00 179.24 175.38 3fjo h PHE 133 N 0.00 0.88 -0.48 4.55 3.57 -1.42 -2.77 116.94 121.27 3fjo h PHE 133 Ca 0.05 -0.49 -0.09 0.00 3.53 0.00 0.00 57.97 60.97 3fjo h PHE 133 Cb 0.20 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 38.82 3fjo h PHE 133 CO 0.00 1.33 -0.07 0.82 -2.23 0.00 0.00 178.31 178.16 3fjo h ILE 134 N 0.19 1.26 0.01 1.41 5.03 -1.00 -2.60 117.51 121.80 3fjo h ILE 134 Ca -0.12 -1.13 -0.21 0.00 -0.12 0.00 0.00 64.86 63.28 3fjo h ILE 134 Cb 1.59 0.96 -0.03 0.00 -3.03 0.00 0.00 36.82 36.31 3fjo h ILE 134 CO 0.18 0.40 -0.97 0.00 -0.68 0.00 0.00 178.15 177.07 3fjo n ASN 136 N -3.41 0.03 -4.63 0.00 4.13 -1.04 -4.89 115.26 105.44 3fjo n ASN 136 Ca -0.01 -0.10 -0.43 0.00 1.68 0.00 0.00 54.58 55.73 3fjo n ASN 136 Cb 0.91 -0.29 -0.03 0.00 -1.54 0.00 0.00 39.78 38.83 3fjo n ASN 136 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3fjo s ALA 137 N -2.61 3.22 0.65 5.41 0.00 -0.98 -4.97 121.76 122.47 3fjo s ALA 137 Ca 0.27 0.90 -0.04 0.00 0.00 0.00 0.00 51.96 53.08 3fjo s ALA 137 Cb 0.20 -3.92 0.05 0.00 0.00 0.00 0.00 23.12 19.45 3fjo s ALA 137 CO 0.47 -2.07 0.93 -1.21 0.00 0.00 0.00 175.76 173.88 3fjo s GLU 138 N 5.13 2.38 0.16 0.00 2.02 -1.26 -4.65 118.70 122.48 3fjo s GLU 138 Ca 0.87 -0.38 -0.34 0.00 0.02 0.00 0.00 54.97 55.14 3fjo s GLU 138 Cb -0.34 -2.28 -0.14 0.00 0.10 0.00 0.00 34.13 31.47 3fjo s GLU 138 CO 0.36 -1.02 1.50 0.00 0.02 0.00 0.00 175.26 176.11 3fjo n ALA 139 N -2.71 0.80 0.00 5.21 0.00 -1.26 -1.42 120.51 121.12 3fjo n ALA 139 Ca 0.07 0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.97 3fjo n ALA 139 Cb 0.60 -2.28 0.00 0.00 0.00 0.00 0.00 19.45 17.77 3fjo n ALA 139 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fjo n GLY 140 N 3.04 2.86 0.35 0.00 0.00 -1.07 -4.89 105.19 105.46 3fjo n GLY 140 Ca 0.17 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.35 3fjo n GLY 140 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fjo h ALA 141 N 0.00 2.33 -0.30 4.61 0.00 -0.87 -2.73 119.26 122.29 3fjo h ALA 141 Ca 0.00 -0.01 -0.23 0.00 0.00 0.00 0.00 54.91 54.66 3fjo h ALA 141 Cb 0.00 0.03 -0.22 0.00 0.00 0.00 0.00 17.79 17.59 3fjo h ALA 141 CO 0.00 -0.46 -0.72 1.28 0.00 0.00 0.00 179.25 179.36 3fjo n LEU 142 N -4.39 3.24 0.29 0.00 4.77 -0.31 -4.65 117.00 115.95 3fjo n LEU 142 Ca 0.06 -3.95 0.17 0.00 -0.03 0.00 0.00 56.01 52.26 3fjo n LEU 142 Cb 0.45 -0.33 0.89 0.00 -2.33 0.00 0.00 43.42 42.10 3fjo n LEU 142 CO 0.36 1.54 1.06 0.77 -1.33 0.00 0.00 177.39 179.78 3fjo h SER 143 N 1.54 0.00 1.09 -1.43 4.64 -1.52 -1.34 113.55 116.53 3fjo h SER 143 Ca 0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 3fjo h SER 143 Cb 1.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.39 3fjo h SER 143 CO 0.29 0.04 -0.72 0.78 -0.87 0.00 0.00 176.83 176.36 3fjo h ASN 144 N 0.00 0.00 -2.56 4.97 2.35 -1.84 -3.44 115.58 115.06 3fjo h ASN 144 Ca -0.00 -0.08 -0.54 0.00 -0.55 0.00 0.00 56.30 55.13 3fjo h ASN 144 Cb 0.26 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.64 3fjo h ASN 144 CO 0.01 0.04 1.11 -0.22 -1.65 0.00 0.00 177.43 176.71 3fjo s LEU 145 N -5.06 4.36 -0.20 1.61 2.96 -0.52 -4.96 118.68 116.86 3fjo s LEU 145 Ca 0.03 2.38 -0.03 0.00 -0.22 0.00 0.00 54.13 56.29 3fjo s LEU 145 Cb 0.10 -3.54 -0.01 0.00 0.50 0.00 0.00 46.19 43.24 3fjo s LEU 145 CO 0.75 -0.95 -0.05 -0.13 -1.32 0.00 0.00 176.35 174.65 3fjo s ARG 146 N 3.91 3.41 0.12 1.98 0.52 -1.26 -1.80 118.95 125.83 3fjo s ARG 146 Ca 0.77 -0.62 -0.00 0.00 -0.52 0.00 0.00 55.73 55.36 3fjo s ARG 146 Cb -0.37 -2.96 -0.04 0.00 0.52 0.00 0.00 34.95 32.10 3fjo s ARG 146 CO 0.33 -0.10 0.01 1.52 0.02 0.00 0.00 175.30 177.08 3fjo s TYR 147 N 1.23 0.86 0.18 -0.53 1.13 -0.58 -1.72 117.35 117.91 3fjo s TYR 147 Ca 0.03 -1.11 0.05 0.00 -1.41 0.00 0.00 57.07 54.62 3fjo s TYR 147 Cb -0.14 -0.51 -0.05 0.00 -1.10 0.00 0.00 41.96 40.16 3fjo s TYR 147 CO -0.01 -0.38 -0.08 0.54 -2.51 0.00 0.00 175.55 173.11 3fjo s ASN 148 N -3.04 1.94 -0.03 -0.18 2.20 -0.43 0.48 114.94 115.88 3fjo s ASN 148 Ca 0.19 -1.07 -0.05 0.00 -0.94 0.00 0.00 52.86 50.99 3fjo s ASN 148 Cb 0.07 -0.03 0.01 0.00 -2.00 0.00 0.00 41.25 39.30 3fjo s ASN 148 CO -0.01 -0.36 0.11 -0.32 -2.94 0.00 0.00 177.10 173.58 3fjo s MET 149 N -3.76 0.25 -0.23 3.55 1.75 -1.26 -1.19 119.30 118.40 3fjo s MET 149 Ca 0.21 -0.06 -0.04 0.00 -1.25 0.00 0.00 55.69 54.56 3fjo s MET 149 Cb 0.03 0.11 0.08 0.00 2.84 0.00 0.00 34.83 37.89 3fjo s MET 149 CO 0.04 -0.05 0.09 0.12 -0.65 0.00 0.00 175.02 174.58 3fjo s PHE 150 N -0.47 0.58 0.42 4.11 5.36 -0.50 -1.56 117.98 125.92 3fjo s PHE 150 Ca -0.05 -0.78 -0.12 0.00 -0.96 0.00 0.00 56.93 55.01 3fjo s PHE 150 Cb -0.04 -0.95 -0.07 0.00 -0.34 0.00 0.00 43.02 41.63 3fjo s PHE 150 CO 0.00 -0.69 0.80 0.20 -1.46 0.00 0.00 175.22 174.08 3fjo s GLY 151 N 2.01 1.98 -0.14 13.12 0.00 -0.11 -2.44 107.32 121.73 3fjo s GLY 151 Ca 0.05 -0.13 0.01 0.00 0.00 0.00 0.00 44.72 44.64 3fjo s GLY 151 CO -0.21 0.07 -0.17 1.08 0.00 0.00 0.00 173.10 173.88 3fjo s LEU 152 N -3.84 1.83 0.00 0.66 1.02 0.13 -1.16 118.68 117.32 3fjo s LEU 152 Ca 0.52 -0.52 0.00 0.00 0.02 0.00 0.00 54.13 54.16 3fjo s LEU 152 Cb -0.10 -1.25 0.00 0.00 0.02 0.00 0.00 46.19 44.86 3fjo s LEU 152 CO 0.31 -0.01 0.00 0.61 0.02 0.00 0.00 176.35 177.28 3fjo n GLY 153 N 4.49 4.79 3.18 -3.19 0.00 -0.78 -1.96 105.19 111.71 3fjo n GLY 153 Ca -0.19 -1.15 0.04 0.00 0.00 0.00 0.00 46.02 44.73 3fjo n GLY 153 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3fjo s ASN 154 N 1.24 -0.99 0.37 1.61 3.84 -1.26 -1.13 114.94 118.62 3fjo s ASN 154 Ca 0.00 0.67 0.26 0.00 0.21 0.00 0.00 52.86 54.00 3fjo s ASN 154 Cb 0.00 1.85 1.31 0.00 -0.55 0.00 0.00 41.25 43.86 3fjo s ASN 154 CO 0.00 -0.19 1.80 0.77 -2.79 0.00 0.00 177.10 176.70 3fjo h SER 155 N 7.98 0.00 0.57 -4.21 4.64 -1.92 -2.20 113.55 118.42 3fjo h SER 155 Ca -0.19 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.13 3fjo h SER 155 Cb 1.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 3fjo h SER 155 CO 0.11 0.00 0.00 0.41 -0.87 0.00 0.00 176.83 176.48 3fjo n THR 156 N -2.44 0.81 -2.82 2.95 -1.04 -1.26 -4.71 114.28 105.76 3fjo n THR 156 Ca -0.00 0.20 -0.20 0.00 -2.04 0.00 0.00 64.05 62.01 3fjo n THR 156 Cb 0.12 -0.91 0.05 0.00 -1.82 0.00 0.00 70.33 67.77 3fjo n THR 156 CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 3fjo s TYR 157 N -2.98 2.16 0.02 -1.42 1.51 -0.83 -5.05 117.35 110.77 3fjo s TYR 157 Ca 0.09 -0.36 -0.25 0.00 -1.01 0.00 0.00 57.07 55.53 3fjo s TYR 157 Cb 0.11 -2.57 -0.17 0.00 -0.11 0.00 0.00 41.96 39.22 3fjo s TYR 157 CO 0.31 -1.03 1.34 1.49 -1.11 0.00 0.00 175.55 176.55 3fjo h GLU 158 N 0.10 -0.26 -3.45 -0.62 4.81 -1.86 -3.38 114.58 109.91 3fjo h GLU 158 Ca -0.37 0.02 -0.74 0.00 -0.13 0.00 0.00 59.36 58.14 3fjo h GLU 158 Cb 1.28 0.06 -0.33 0.00 0.63 0.00 0.00 28.75 30.40 3fjo h GLU 158 CO 0.45 0.04 0.06 -0.06 -0.73 0.00 0.00 179.01 178.77 3fjo s PHE 159 N -4.88 3.96 -0.10 0.92 0.40 -1.26 -5.04 117.98 111.99 3fjo s PHE 159 Ca -0.15 -2.84 -0.31 0.00 -0.60 0.00 0.00 56.93 53.04 3fjo s PHE 159 Cb 0.03 -3.46 -0.09 0.00 0.51 0.00 0.00 43.02 40.01 3fjo s PHE 159 CO 0.60 -0.83 2.05 0.34 0.70 0.00 0.00 175.22 178.08 3fjo n PHE 160 N 2.64 2.23 -3.14 0.36 -0.00 -1.26 -2.03 117.46 116.26 3fjo n PHE 160 Ca 0.21 -0.18 -0.23 0.00 -0.00 0.00 0.00 57.45 57.25 3fjo n PHE 160 Cb 0.38 -2.73 0.04 0.00 -0.00 0.00 0.00 39.48 37.17 3fjo n PHE 160 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.76 176.85 3fjo n ASN 161 N 8.86 -5.84 -0.18 -2.13 3.02 -1.26 -4.90 115.26 112.83 3fjo n ASN 161 Ca 0.25 -0.34 0.04 0.00 -0.03 0.00 0.00 54.58 54.51 3fjo n ASN 161 Cb 0.38 -4.71 0.32 0.00 -0.61 0.00 0.00 39.78 35.16 3fjo n ASN 161 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 3fjo h GLY 162 N -1.49 0.96 0.89 7.41 0.00 -1.69 -0.77 103.07 108.38 3fjo h GLY 162 Ca -0.53 -0.33 -0.04 0.00 0.00 0.00 0.00 47.33 46.44 3fjo h GLY 162 CO 0.57 0.28 -0.39 0.00 0.00 0.00 0.00 176.54 177.00 3fjo h ALA 163 N 1.59 -1.08 0.00 3.60 0.00 -1.74 0.37 119.26 122.00 3fjo h ALA 163 Ca 0.28 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 3fjo h ALA 163 Cb 0.09 0.42 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 3fjo h ALA 163 CO -0.08 -1.05 -0.14 0.00 0.00 0.00 0.00 179.25 177.98 3fjo h ALA 164 N -1.11 1.77 -0.12 0.00 0.00 -1.79 0.12 119.26 118.14 3fjo h ALA 164 Ca -0.11 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.58 3fjo h ALA 164 Cb 0.84 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.61 3fjo h ALA 164 CO 0.18 0.17 -0.28 0.87 0.00 0.00 0.00 179.25 180.19 3fjo h LYS 165 N 0.00 0.40 0.06 0.00 1.57 -0.95 -2.40 116.57 115.25 3fjo h LYS 165 Ca -0.00 -0.27 -0.00 0.00 -1.87 0.00 0.00 60.65 58.50 3fjo h LYS 165 Cb 0.24 0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.59 3fjo h LYS 165 CO 0.02 0.88 -0.03 -0.22 -0.57 0.00 0.00 179.45 179.53 3fjo h LYS 166 N -0.02 -0.08 -0.63 3.15 3.64 0.03 -2.59 116.57 120.06 3fjo h LYS 166 Ca -0.00 0.01 0.13 0.00 -1.27 0.00 0.00 60.65 59.51 3fjo h LYS 166 Cb 0.89 0.02 -0.10 0.00 -0.41 0.00 0.00 32.23 32.63 3fjo h LYS 166 CO 0.06 -0.02 0.09 0.00 -2.27 0.00 0.00 179.45 177.31 3fjo h ALA 167 N 0.82 0.72 -0.44 5.00 0.00 -0.81 -1.83 119.26 122.73 3fjo h ALA 167 Ca -0.01 0.16 -0.14 0.00 0.00 0.00 0.00 54.91 54.92 3fjo h ALA 167 Cb 0.09 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 3fjo h ALA 167 CO 0.01 -0.35 -0.29 1.49 0.00 0.00 0.00 179.25 180.11 3fjo h GLU 168 N 0.20 0.97 -0.62 0.00 4.22 -1.37 0.42 114.58 118.40 3fjo h GLU 168 Ca 0.34 -0.45 0.06 0.00 0.08 0.00 0.00 59.36 59.39 3fjo h GLU 168 Cb 0.54 -0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.72 3fjo h GLU 168 CO -0.48 1.12 0.32 -0.22 -2.18 0.00 0.00 179.01 177.57 3fjo h LYS 169 N 0.81 0.57 -0.02 1.92 3.64 -1.00 -2.51 116.57 119.99 3fjo h LYS 169 Ca 0.09 -0.03 -0.23 0.00 -1.27 0.00 0.00 60.65 59.20 3fjo h LYS 169 Cb 0.88 -0.13 0.01 0.00 -0.41 0.00 0.00 32.23 32.57 3fjo h LYS 169 CO 0.08 0.38 -0.94 0.45 -2.27 0.00 0.00 179.45 177.15 3fjo h HIS 170 N 0.58 0.73 0.28 1.91 3.86 -0.96 -0.80 115.15 120.76 3fjo h HIS 170 Ca 0.29 -0.39 -0.01 0.00 -1.16 0.00 0.00 60.37 59.10 3fjo h HIS 170 Cb 0.23 -0.09 0.00 0.00 1.06 0.00 0.00 27.41 28.61 3fjo h HIS 170 CO -0.10 1.21 -0.13 -0.07 0.86 0.00 0.00 177.93 179.69 3fjo h LEU 171 N 0.29 -0.32 -0.44 2.43 3.38 -0.84 -1.16 115.31 118.66 3fjo h LEU 171 Ca -0.08 -0.05 -0.08 0.00 0.09 0.00 0.00 57.88 57.76 3fjo h LEU 171 Cb 1.57 0.08 -0.01 0.00 0.09 0.00 0.00 40.66 42.39 3fjo h LEU 171 CO 0.17 -0.16 -0.05 0.77 0.09 0.00 0.00 178.44 179.26 3fjo h SER 172 N -0.46 0.80 -1.01 -0.43 4.64 -1.51 -1.22 113.55 114.37 3fjo h SER 172 Ca -0.04 -0.34 0.19 0.00 -0.47 0.00 0.00 61.79 61.14 3fjo h SER 172 Cb 0.35 -0.22 -0.11 0.00 -0.31 0.00 0.00 62.40 62.11 3fjo h SER 172 CO 0.06 0.95 0.61 0.00 -0.87 0.00 0.00 176.83 177.59 3fjo h ALA 173 N 0.88 1.67 -0.10 5.18 0.00 -1.10 -0.02 119.26 125.77 3fjo h ALA 173 Ca 0.12 0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.11 3fjo h ALA 173 Cb 0.57 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.27 3fjo h ALA 173 CO 0.03 -0.04 0.00 0.00 0.00 0.00 0.00 179.25 179.24 3fjo n ALA 174 N -2.33 2.56 0.00 0.00 0.00 -0.44 -4.41 120.51 115.89 3fjo n ALA 174 Ca 0.23 -0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.28 3fjo n ALA 174 Cb 0.57 -1.17 0.00 0.00 0.00 0.00 0.00 19.45 18.85 3fjo n ALA 174 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fjo n GLY 175 N 1.03 0.54 3.77 0.00 0.00 -0.02 -1.16 105.19 109.35 3fjo n GLY 175 Ca 0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.79 3fjo n GLY 175 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fjo s ALA 176 N -2.00 3.22 -0.30 4.61 0.00 -0.51 -4.21 121.76 122.57 3fjo s ALA 176 Ca 0.00 1.00 -0.13 0.00 0.00 0.00 0.00 51.96 52.83 3fjo s ALA 176 Cb 0.00 -3.39 -0.03 0.00 0.00 0.00 0.00 23.12 19.70 3fjo s ALA 176 CO 0.00 -0.51 0.27 0.42 0.00 0.00 0.00 175.76 175.94 3fjo s ILE 177 N -1.35 5.25 0.14 0.00 1.09 -0.74 -4.17 121.20 121.42 3fjo s ILE 177 Ca 0.55 0.14 -0.30 0.00 -1.10 0.00 0.00 60.65 59.94 3fjo s ILE 177 Cb -0.32 -3.66 -0.07 0.00 -1.06 0.00 0.00 42.46 37.36 3fjo s ILE 177 CO 0.41 0.11 0.98 -0.60 -0.10 0.00 0.00 174.94 175.74 3fjo s ARG 178 N 1.86 4.71 -0.14 2.79 3.52 -1.26 -1.53 118.95 128.90 3fjo s ARG 178 Ca 0.09 1.50 -0.07 0.00 -0.13 0.00 0.00 55.73 57.12 3fjo s ARG 178 Cb -0.16 -3.35 -0.04 0.00 -1.56 0.00 0.00 34.95 29.84 3fjo s ARG 178 CO 0.11 0.24 0.10 -0.51 -0.81 0.00 0.00 175.30 174.43 3fjo s LEU 179 N -0.24 4.11 0.00 -0.88 1.43 0.18 -4.93 118.68 118.35 3fjo s LEU 179 Ca 0.46 0.29 0.00 0.00 -1.03 0.00 0.00 54.13 53.85 3fjo s LEU 179 Cb -0.25 -2.01 0.00 0.00 0.03 0.00 0.00 46.19 43.96 3fjo s LEU 179 CO 0.31 0.31 0.00 0.61 0.23 0.00 0.00 176.35 177.81 3fjo n GLY 180 N 2.62 -1.81 3.82 -3.19 0.00 -1.26 -4.43 105.19 100.94 3fjo n GLY 180 Ca -0.18 -1.29 -0.33 0.00 0.00 0.00 0.00 46.02 44.22 3fjo n GLY 180 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3fjo s LYS 181 N -0.78 3.98 -0.16 1.61 -2.85 -1.26 -4.97 119.74 115.30 3fjo s LYS 181 Ca 0.00 1.09 -0.29 0.00 -1.00 0.00 0.00 55.97 55.77 3fjo s LYS 181 Cb 0.00 -2.14 -0.01 0.00 -2.06 0.00 0.00 37.83 33.62 3fjo s LYS 181 CO 0.00 -0.25 1.17 -1.17 0.10 0.00 0.00 175.35 175.20 3fjo s LEU 182 N -3.69 4.18 0.32 2.77 2.96 -1.26 -4.57 118.68 119.38 3fjo s LEU 182 Ca 0.62 1.60 -0.15 0.00 -0.22 0.00 0.00 54.13 55.97 3fjo s LEU 182 Cb -0.11 -3.54 -0.09 0.00 0.50 0.00 0.00 46.19 42.95 3fjo s LEU 182 CO 0.23 -0.68 0.74 -0.83 -1.32 0.00 0.00 176.35 174.49 3fjo s GLY 183 N 1.60 2.35 -0.40 7.98 0.00 -0.60 -4.99 107.32 113.26 3fjo s GLY 183 Ca 0.51 0.06 0.03 0.00 0.00 0.00 0.00 44.72 45.33 3fjo s GLY 183 CO 0.13 0.28 0.39 -0.54 0.00 0.00 0.00 173.10 173.36 3fjo s GLU 184 N -2.94 0.76 0.34 2.90 2.02 -1.26 -0.94 118.70 119.58 3fjo s GLU 184 Ca 0.54 -1.32 -0.29 0.00 0.02 0.00 0.00 54.97 53.92 3fjo s GLU 184 Cb -0.10 -0.92 -0.11 0.00 0.10 0.00 0.00 34.13 33.10 3fjo s GLU 184 CO 0.17 -1.27 1.42 0.00 0.02 0.00 0.00 175.26 175.60 3fjo s ALA 185 N 0.91 3.56 -0.37 5.21 0.00 -0.31 -4.91 121.76 125.85 3fjo s ALA 185 Ca 0.23 1.42 0.01 0.00 0.00 0.00 0.00 51.96 53.62 3fjo s ALA 185 Cb -0.09 -3.55 0.10 0.00 0.00 0.00 0.00 23.12 19.58 3fjo s ALA 185 CO -0.07 -0.85 0.12 0.34 0.00 0.00 0.00 175.76 175.30 3fjo s ASP 186 N -0.16 5.00 0.45 0.00 2.15 -1.26 -1.87 116.67 120.98 3fjo s ASP 186 Ca 0.53 -2.10 0.25 0.00 0.43 0.00 0.00 52.55 51.66 3fjo s ASP 186 Cb -0.43 -1.72 0.92 0.00 -0.30 0.00 0.00 42.92 41.39 3fjo s ASP 186 CO 0.55 -0.46 1.82 -0.78 -0.17 0.00 0.00 175.17 176.14 3fjo h ASP 187 N 7.82 0.00 0.19 -0.34 3.58 -1.49 -1.80 116.42 124.38 3fjo h ASP 187 Ca -0.08 0.00 -0.08 0.00 0.42 0.00 0.00 57.03 57.29 3fjo h ASP 187 Cb 1.03 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.07 3fjo h ASP 187 CO 0.60 0.19 -0.30 1.23 -2.88 0.00 0.00 179.24 178.08 3fjo h GLY 188 N 2.24 0.19 0.29 -0.78 0.00 -1.87 -2.65 103.07 100.49 3fjo h GLY 188 Ca -0.00 -0.15 0.00 0.00 0.00 0.00 0.00 47.33 47.18 3fjo h GLY 188 CO 0.02 0.14 -0.37 0.00 0.00 0.00 0.00 176.54 176.33 3fjo n ALA 189 N -2.48 3.31 -1.69 3.60 0.00 -1.15 -4.90 120.51 117.20 3fjo n ALA 189 Ca -0.01 -0.42 -0.10 0.00 0.00 0.00 0.00 53.44 52.90 3fjo n ALA 189 Cb 0.38 -1.08 -0.03 0.00 0.00 0.00 0.00 19.45 18.73 3fjo n ALA 189 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fjo n GLY 190 N 1.39 0.62 0.68 0.00 0.00 -1.00 -4.94 105.19 101.94 3fjo n GLY 190 Ca 0.10 -0.52 0.11 0.00 0.00 0.00 0.00 46.02 45.71 3fjo n GLY 190 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3fjo n THR 191 N -3.29 0.00 -0.30 2.61 -2.24 -0.69 -4.72 114.28 105.65 3fjo n THR 191 Ca -0.11 -0.36 0.11 0.00 -2.27 0.00 0.00 64.05 61.41 3fjo n THR 191 Cb 0.45 1.35 0.27 0.00 -2.10 0.00 0.00 70.33 70.30 3fjo n THR 191 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 3fjo h THR 192 N 3.33 0.57 -0.06 4.28 2.02 -1.91 0.55 112.91 121.68 3fjo h THR 192 Ca 0.00 -0.16 -0.02 0.00 0.77 0.00 0.00 66.41 66.99 3fjo h THR 192 Cb 0.84 0.06 -0.00 0.00 -1.74 0.00 0.00 68.15 67.31 3fjo h THR 192 CO 0.00 0.09 -0.05 -0.78 0.37 0.00 0.00 175.52 175.14 3fjo h ASP 193 N 0.47 0.15 -0.08 4.18 3.58 -1.93 -0.40 116.42 122.39 3fjo h ASP 193 Ca 0.52 -0.47 -0.11 0.00 0.42 0.00 0.00 57.03 57.39 3fjo h ASP 193 Cb 0.89 -0.04 -0.01 0.00 1.72 0.00 0.00 39.33 41.89 3fjo h ASP 193 CO -0.47 0.59 -0.30 -0.33 -2.88 0.00 0.00 179.24 175.85 3fjo h GLU 194 N -0.28 0.55 -0.45 0.28 4.39 -1.65 0.12 114.58 117.55 3fjo h GLU 194 Ca 0.01 -0.23 0.04 0.00 0.34 0.00 0.00 59.36 59.52 3fjo h GLU 194 Cb 0.54 -0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 29.13 3fjo h GLU 194 CO 0.01 0.79 0.21 -0.44 -1.16 0.00 0.00 179.01 178.42 3fjo h ASP 195 N 0.47 0.29 -0.10 1.42 3.32 0.16 -0.76 116.42 121.21 3fjo h ASP 195 Ca 0.06 0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.13 3fjo h ASP 195 Cb 0.76 -0.02 -0.00 0.00 0.22 0.00 0.00 39.33 40.28 3fjo h ASP 195 CO 0.06 0.21 0.04 0.22 -1.72 0.00 0.00 179.24 178.04 3fjo h TYR 196 N 0.42 0.15 -0.37 4.55 3.20 -0.71 -2.23 116.97 121.98 3fjo h TYR 196 Ca 0.20 -0.01 0.08 0.00 3.14 0.00 0.00 58.73 62.13 3fjo h TYR 196 Cb 0.13 -0.05 -0.08 0.00 1.54 0.00 0.00 36.73 38.27 3fjo h TYR 196 CO -0.11 0.27 -0.13 0.52 -1.64 0.00 0.00 178.16 177.06 3fjo h MET 197 N -0.01 -0.05 -0.42 1.82 2.86 -0.51 0.24 114.93 118.87 3fjo h MET 197 Ca 0.03 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.67 3fjo h MET 197 Cb 0.18 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.83 3fjo h MET 197 CO -0.00 -0.03 0.24 0.00 1.06 0.00 0.00 176.91 178.18 3fjo h ALA 198 N 1.28 0.54 -0.32 6.32 0.00 -1.17 -2.05 119.26 123.86 3fjo h ALA 198 Ca 0.18 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 3fjo h ALA 198 Cb 0.34 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3fjo h ALA 198 CO -0.42 0.04 0.12 2.35 0.00 0.00 0.00 179.25 181.35 3fjo h TRP 199 N 0.55 0.48 0.40 0.00 7.01 -0.72 -2.44 115.95 121.24 3fjo h TRP 199 Ca 0.15 -0.04 -0.02 0.00 2.11 0.00 0.00 58.89 61.09 3fjo h TRP 199 Cb 0.02 -0.14 0.00 0.00 -2.10 0.00 0.00 29.16 26.94 3fjo h TRP 199 CO -0.03 0.46 -0.20 -0.22 -2.79 0.00 0.00 178.44 175.66 3fjo h LYS 200 N 0.36 -0.53 -0.80 2.65 3.64 -0.45 -0.69 116.57 120.75 3fjo h LYS 200 Ca 0.11 0.04 0.18 0.00 -1.27 0.00 0.00 60.65 59.70 3fjo h LYS 200 Cb 0.19 0.12 -0.11 0.00 -0.41 0.00 0.00 32.23 32.01 3fjo h LYS 200 CO -0.01 -0.36 0.27 -0.44 -2.27 0.00 0.00 179.45 176.65 3fjo h ASP 201 N -0.55 0.16 0.71 4.20 3.32 -1.36 -1.57 116.42 121.33 3fjo h ASP 201 Ca -0.05 0.14 -0.03 0.00 0.02 0.00 0.00 57.03 57.11 3fjo h ASP 201 Cb 0.43 0.16 -0.01 0.00 0.22 0.00 0.00 39.33 40.13 3fjo h ASP 201 CO 0.08 -0.00 -0.48 -1.28 -1.72 0.00 0.00 179.24 175.84 3fjo h SER 202 N 0.34 -1.22 -0.10 6.45 0.87 -0.92 -3.00 113.55 115.97 3fjo h SER 202 Ca 0.47 0.07 -0.02 0.00 -1.23 0.00 0.00 61.79 61.09 3fjo h SER 202 Cb 0.82 0.37 -0.01 0.00 -0.44 0.00 0.00 62.40 63.14 3fjo h SER 202 CO -0.51 -0.71 0.02 0.40 -0.53 0.00 0.00 176.83 175.50 3fjo h ILE 203 N -1.13 1.10 -0.19 2.23 1.08 -0.62 -1.50 117.51 118.48 3fjo h ILE 203 Ca -0.09 -0.35 -0.05 0.00 -0.39 0.00 0.00 64.86 63.98 3fjo h ILE 203 Cb 0.92 0.95 -0.01 0.00 -3.07 0.00 0.00 36.82 35.60 3fjo h ILE 203 CO 0.07 0.12 -0.11 -0.07 -0.69 0.00 0.00 178.15 177.47 3fjo h LEU 204 N 0.23 0.28 -0.21 1.44 3.38 -1.28 0.29 115.31 119.44 3fjo h LEU 204 Ca 0.06 -0.06 -0.10 0.00 0.09 0.00 0.00 57.88 57.87 3fjo h LEU 204 Cb 0.12 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 40.80 3fjo h LEU 204 CO -0.00 0.43 -0.27 -0.33 0.09 0.00 0.00 178.44 178.36 3fjo h GLU 205 N 0.29 0.56 -1.00 1.13 4.39 -1.14 -1.45 114.58 117.35 3fjo h GLU 205 Ca 0.06 -0.31 0.02 0.00 0.34 0.00 0.00 59.36 59.46 3fjo h GLU 205 Cb 0.38 0.02 -0.05 0.00 -0.10 0.00 0.00 28.75 29.00 3fjo h GLU 205 CO 0.02 0.91 0.66 0.28 -1.16 0.00 0.00 179.01 179.72 3fjo h VAL 206 N 0.24 1.24 -0.19 3.13 2.07 -0.99 -2.94 116.25 118.80 3fjo h VAL 206 Ca 0.03 -0.46 -0.20 0.00 0.82 0.00 0.00 66.70 66.89 3fjo h VAL 206 Cb 0.84 -0.21 0.00 0.00 -1.52 0.00 0.00 31.29 30.40 3fjo h VAL 206 CO 0.06 0.24 -0.67 -0.07 0.02 0.00 0.00 177.57 177.15 3fjo h LEU 207 N 1.33 0.84 -1.30 2.57 3.38 -0.41 -2.39 115.31 119.34 3fjo h LEU 207 Ca 0.37 -0.51 0.29 0.00 0.09 0.00 0.00 57.88 58.13 3fjo h LEU 207 Cb -0.12 -0.25 -0.11 0.00 0.09 0.00 0.00 40.66 40.27 3fjo h LEU 207 CO -0.09 1.29 0.68 0.11 0.09 0.00 0.00 178.44 180.52 3fjo h LYS 208 N 0.53 0.36 0.17 1.13 1.57 -1.07 0.28 116.57 119.53 3fjo h LYS 208 Ca -0.02 -0.02 -0.33 0.00 -1.87 0.00 0.00 60.65 58.41 3fjo h LYS 208 Cb 1.28 -0.08 0.01 0.00 0.08 0.00 0.00 32.23 33.52 3fjo h LYS 208 CO 0.14 0.24 -1.58 -0.44 -0.57 0.00 0.00 179.45 177.24 3fjo h ASP 209 N 0.37 0.55 -0.57 0.86 3.45 -1.54 -2.97 116.42 116.57 3fjo h ASP 209 Ca 0.64 -0.73 -0.10 0.00 0.43 0.00 0.00 57.03 57.27 3fjo h ASP 209 Cb 1.64 -0.18 -0.02 0.00 -0.56 0.00 0.00 39.33 40.21 3fjo h ASP 209 CO -0.36 1.60 -0.04 -0.33 -1.57 0.00 0.00 179.24 178.54 3fjo h GLU 210 N 0.10 1.05 -0.03 3.56 4.39 -0.60 -3.15 114.58 119.89 3fjo h GLU 210 Ca -0.27 -0.35 0.00 0.00 0.34 0.00 0.00 59.36 59.08 3fjo h GLU 210 Cb 2.07 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 30.64 3fjo h GLU 210 CO 0.19 1.05 -0.12 1.28 -1.16 0.00 0.00 179.01 180.25 3fjo n LEU 211 N -4.16 2.63 0.00 1.33 4.77 0.85 -5.08 117.00 117.33 3fjo n LEU 211 Ca 0.02 -0.89 0.02 0.00 -0.03 0.00 0.00 56.01 55.13 3fjo n LEU 211 Cb 0.37 -0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.45 3fjo n LEU 211 CO 0.45 0.45 -0.03 0.61 -1.33 0.00 0.00 177.39 177.54 3fjo n GLY 212 N 1.36 -1.19 0.43 -0.72 0.00 -1.12 -5.04 105.19 98.90 3fjo n GLY 212 Ca 0.13 -1.07 0.05 0.00 0.00 0.00 0.00 46.02 45.14 3fjo n GLY 212 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3fjo n VAL 213 N -1.97 0.00 -4.37 1.61 0.24 -1.25 -4.64 118.33 107.94 3fjo n VAL 213 Ca 0.00 0.14 -0.21 0.00 -2.04 0.00 0.00 64.34 62.22 3fjo n VAL 213 Cb 0.07 -0.28 -0.11 0.00 -1.47 0.00 0.00 33.84 32.05 3fjo n VAL 213 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 3fjo s GLU 214 N -2.32 1.40 -0.27 7.34 0.41 -1.26 -4.77 118.70 119.23 3fjo s GLU 214 Ca 0.00 -1.56 -0.29 0.00 -0.41 0.00 0.00 54.97 52.71 3fjo s GLU 214 Cb 0.00 -1.39 0.01 0.00 -1.78 0.00 0.00 34.13 30.97 3fjo s GLU 214 CO 0.00 0.26 1.05 0.00 -0.49 0.00 0.00 175.26 176.08 3fjo s ALA 215 N -2.46 3.61 -0.27 5.21 0.00 -1.26 -4.80 121.76 121.79 3fjo s ALA 215 Ca 0.22 0.07 -0.43 0.00 0.00 0.00 0.00 51.96 51.81 3fjo s ALA 215 Cb -0.04 -3.59 -0.20 0.00 0.00 0.00 0.00 23.12 19.29 3fjo s ALA 215 CO 0.09 -1.23 1.34 2.41 0.00 0.00 0.00 175.76 178.37 3fjo n THR 216 N 5.55 0.00 -1.03 0.00 -1.04 -0.67 -3.22 114.28 113.87 3fjo n THR 216 Ca 0.12 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.13 3fjo n THR 216 Cb 0.46 -0.27 0.00 0.00 -1.82 0.00 0.00 70.33 68.71 3fjo n THR 216 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3fjo n GLY 217 N 2.82 -0.24 0.00 3.41 0.00 -1.26 -4.73 105.19 105.19 3fjo n GLY 217 Ca 0.26 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.99 3fjo n GLY 217 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3fjo n GLU 218 N -0.36 0.00 -3.60 1.61 -0.58 -1.20 -5.11 120.64 111.41 3fjo n GLU 218 Ca 0.00 0.00 -0.29 0.00 -0.42 0.00 0.00 57.16 56.45 3fjo n GLU 218 Cb 0.01 0.00 -0.13 0.00 -0.57 0.00 0.00 31.44 30.76 3fjo n GLU 218 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 3fjo s GLU 219 N -0.46 0.87 -0.03 3.49 2.02 -1.26 -4.99 118.70 118.34 3fjo s GLU 219 Ca 0.00 -1.56 -0.04 0.00 0.02 0.00 0.00 54.97 53.39 3fjo s GLU 219 Cb 0.00 -1.80 -0.15 0.00 0.10 0.00 0.00 34.13 32.27 3fjo s GLU 219 CO 0.00 -1.16 2.30 -1.13 0.02 0.00 0.00 175.26 175.28 3fjo n SER 220 N 3.95 3.08 -4.64 -0.19 3.41 -1.26 -4.86 113.62 113.11 3fjo n SER 220 Ca 0.08 -2.07 -0.41 0.00 -0.26 0.00 0.00 58.87 56.21 3fjo n SER 220 Cb 0.36 -0.83 -0.06 0.00 -0.26 0.00 0.00 64.21 63.43 3fjo n SER 220 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3fjo s SER 221 N 2.45 6.68 -0.31 4.04 1.04 -1.26 -5.03 113.70 121.31 3fjo s SER 221 Ca 0.39 0.83 -0.10 0.00 0.48 0.00 0.00 55.95 57.55 3fjo s SER 221 Cb 0.18 -2.37 -0.01 0.00 0.10 0.00 0.00 66.02 63.93 3fjo s SER 221 CO -0.00 -0.38 0.16 -0.63 0.98 0.00 0.00 173.24 173.36 3fjo s ILE 222 N 2.44 4.66 -0.31 -1.02 1.01 -1.26 -5.06 121.20 121.66 3fjo s ILE 222 Ca 0.29 -0.40 -0.27 0.00 0.00 0.00 0.00 60.65 60.27 3fjo s ILE 222 Cb -0.16 -3.38 0.01 0.00 0.01 0.00 0.00 42.46 38.95 3fjo s ILE 222 CO 0.09 0.06 0.98 -0.13 0.00 0.00 0.00 174.94 175.94 3fjo s ARG 223 N 1.62 4.05 0.19 2.79 1.81 -1.26 -4.93 118.95 123.22 3fjo s ARG 223 Ca 0.05 0.95 0.10 0.00 -1.72 0.00 0.00 55.73 55.10 3fjo s ARG 223 Cb -0.17 -3.72 0.02 0.00 -0.45 0.00 0.00 34.95 30.62 3fjo s ARG 223 CO 0.07 -0.80 1.41 0.37 -0.68 0.00 0.00 175.30 175.66 3fjo h GLN 224 N 8.03 0.00 -5.39 3.54 5.75 -1.97 -3.46 115.11 121.61 3fjo h GLN 224 Ca -0.22 0.00 -0.45 0.00 -0.15 0.00 0.00 58.65 57.84 3fjo h GLN 224 Cb 1.07 0.00 -0.14 0.00 1.07 0.00 0.00 27.48 29.48 3fjo h GLN 224 CO 0.98 0.80 -0.68 0.71 -2.65 0.00 0.00 178.83 177.99 3fjo s TYR 225 N -3.01 1.77 0.04 3.99 2.02 -1.26 -1.42 117.35 119.47 3fjo s TYR 225 Ca 0.01 -0.73 0.07 0.00 -0.37 0.00 0.00 57.07 56.05 3fjo s TYR 225 Cb 0.10 -0.97 -0.03 0.00 -0.40 0.00 0.00 41.96 40.66 3fjo s TYR 225 CO 0.79 0.21 -0.21 -2.00 -1.57 0.00 0.00 175.55 172.76 3fjo s GLU 226 N -3.75 1.40 0.11 -0.62 2.12 0.79 -4.84 118.70 113.91 3fjo s GLU 226 Ca 0.27 -0.94 -0.27 0.00 0.36 0.00 0.00 54.97 54.39 3fjo s GLU 226 Cb 0.03 -1.51 -0.06 0.00 0.26 0.00 0.00 34.13 32.85 3fjo s GLU 226 CO 0.09 0.39 0.83 -1.17 -0.54 0.00 0.00 175.26 174.86 3fjo s LEU 227 N -1.17 4.51 -0.05 2.70 2.96 -1.26 -1.56 118.68 124.81 3fjo s LEU 227 Ca 0.07 1.62 -0.02 0.00 -0.22 0.00 0.00 54.13 55.59 3fjo s LEU 227 Cb -0.09 -3.36 0.03 0.00 0.50 0.00 0.00 46.19 43.27 3fjo s LEU 227 CO 0.02 0.06 0.04 -0.69 -1.32 0.00 0.00 176.35 174.45 3fjo s VAL 228 N -0.40 0.06 -0.34 1.68 1.01 -0.97 -4.99 120.40 116.45 3fjo s VAL 228 Ca 0.40 0.30 -0.22 0.00 0.00 0.00 0.00 61.98 62.47 3fjo s VAL 228 Cb -0.22 -0.28 0.00 0.00 0.00 0.00 0.00 36.38 35.88 3fjo s VAL 228 CO 0.26 0.20 0.71 -0.69 0.00 0.00 0.00 175.10 175.58 3fjo s VAL 229 N 2.00 4.83 -1.26 2.92 1.01 -1.26 -2.17 120.40 126.47 3fjo s VAL 229 Ca 0.04 0.84 -0.10 0.00 0.00 0.00 0.00 61.98 62.76 3fjo s VAL 229 Cb -0.12 -4.12 0.18 0.00 0.00 0.00 0.00 36.38 32.32 3fjo s VAL 229 CO -0.04 -0.31 1.79 1.41 0.00 0.00 0.00 175.10 177.95 3fjo n HIS 230 N 6.17 3.18 0.47 5.22 8.25 -1.04 -4.77 115.22 132.70 3fjo n HIS 230 Ca 0.01 -2.86 0.11 0.00 -0.26 0.00 0.00 57.72 54.72 3fjo n HIS 230 Cb 0.48 -1.93 0.45 0.00 1.12 0.00 0.00 29.99 30.12 3fjo n HIS 230 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 3fjo n THR 231 N 3.36 0.79 -3.79 1.59 -2.24 -1.26 -4.32 114.28 108.41 3fjo n THR 231 Ca 0.38 0.16 -0.25 0.00 -2.27 0.00 0.00 64.05 62.07 3fjo n THR 231 Cb 0.37 -1.03 -0.17 0.00 -2.10 0.00 0.00 70.33 67.40 3fjo n THR 231 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3fjo s ASP 232 N -4.00 1.97 -0.23 3.42 -1.08 -1.26 -5.08 116.67 110.40 3fjo s ASP 232 Ca 0.06 -0.28 -0.29 0.00 -0.52 0.00 0.00 52.55 51.52 3fjo s ASP 232 Cb 0.10 -0.54 0.16 0.00 -1.46 0.00 0.00 42.92 41.17 3fjo s ASP 232 CO 0.40 -0.20 1.17 -0.51 0.52 0.00 0.00 175.17 176.55 3fjo s ILE 233 N 1.90 0.00 0.22 4.11 1.10 -1.26 -5.17 121.20 122.11 3fjo s ILE 233 Ca 0.04 0.00 -0.15 0.00 -0.51 0.00 0.00 60.65 60.03 3fjo s ILE 233 Cb -0.13 -1.00 -0.08 0.00 0.15 0.00 0.00 42.46 41.40 3fjo s ILE 233 CO -0.06 0.00 0.64 1.51 -2.11 0.00 0.00 174.94 174.91 3fjo s ASP 234 N -0.84 6.83 0.56 4.50 -4.77 -1.26 -4.96 116.67 116.73 3fjo s ASP 234 Ca 0.03 1.18 0.25 0.00 -3.30 0.00 0.00 52.55 50.72 3fjo s ASP 234 Cb -0.01 -2.33 1.50 0.00 -1.09 0.00 0.00 42.92 40.99 3fjo s ASP 234 CO -0.04 -0.02 2.07 0.00 0.70 0.00 0.00 175.17 177.87 3fjo h ALA 235 N 3.01 2.08 0.00 2.11 0.00 -2.02 -0.83 119.26 123.62 3fjo h ALA 235 Ca -0.48 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.40 3fjo h ALA 235 Cb 1.18 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.99 3fjo h ALA 235 CO 0.66 -0.38 -0.10 0.00 0.00 0.00 0.00 179.25 179.43 3fjo h ALA 236 N 1.79 1.64 -0.01 0.00 0.00 -2.03 -2.00 119.26 118.65 3fjo h ALA 236 Ca 0.13 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3fjo h ALA 236 Cb 0.60 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.38 3fjo h ALA 236 CO -0.00 0.13 -0.14 1.63 0.00 0.00 0.00 179.25 180.87 3fjo n LYS 237 N -4.15 1.12 -3.96 0.00 5.02 -0.32 -4.89 118.16 110.98 3fjo n LYS 237 Ca -0.03 -0.62 -0.35 0.00 -2.02 0.00 0.00 58.31 55.29 3fjo n LYS 237 Cb 0.19 -1.49 -0.11 0.00 -0.02 0.00 0.00 35.03 33.60 3fjo n LYS 237 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3fjo s VAL 238 N -2.30 4.44 0.31 -0.18 1.01 -0.75 -4.34 120.40 118.58 3fjo s VAL 238 Ca 0.30 -0.14 -0.29 0.00 0.00 0.00 0.00 61.98 61.85 3fjo s VAL 238 Cb 0.20 -3.03 -0.10 0.00 0.00 0.00 0.00 36.38 33.45 3fjo s VAL 238 CO 0.44 0.41 1.41 -0.31 0.00 0.00 0.00 175.10 177.05 3fjo s TYR 239 N 0.92 2.92 -0.07 5.22 1.51 0.12 -4.94 117.35 123.03 3fjo s TYR 239 Ca 0.03 1.18 0.02 0.00 -1.01 0.00 0.00 57.07 57.29 3fjo s TYR 239 Cb -0.14 -3.83 0.04 0.00 -0.11 0.00 0.00 41.96 37.92 3fjo s TYR 239 CO 0.03 -2.50 1.03 -1.33 -1.11 0.00 0.00 175.55 171.66 3fjo n MET 240 N 1.36 2.92 0.00 -0.62 2.81 -1.26 -4.46 117.12 117.87 3fjo n MET 240 Ca 0.03 -1.59 0.00 0.00 -1.81 0.00 0.00 57.70 54.33 3fjo n MET 240 Cb 0.40 -1.04 0.00 0.00 -0.71 0.00 0.00 33.22 31.87 3fjo n MET 240 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3fjo n GLY 241 N -0.47 1.00 3.85 3.03 0.00 -1.26 -5.00 105.19 106.34 3fjo n GLY 241 Ca 0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.73 3fjo n GLY 241 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3fjo s GLU 242 N -0.04 3.11 -0.12 1.61 1.03 -1.26 -4.94 118.70 118.09 3fjo s GLU 242 Ca 0.00 0.74 0.13 0.00 0.03 0.00 0.00 54.97 55.88 3fjo s GLU 242 Cb 0.00 -2.03 -0.19 0.00 -0.80 0.00 0.00 34.13 31.11 3fjo s GLU 242 CO 0.00 -0.92 0.11 -0.12 -1.33 0.00 0.00 175.26 173.00 3fjo n MET 243 N -2.98 1.39 0.00 -4.83 1.56 -1.26 -4.93 117.12 106.08 3fjo n MET 243 Ca 0.07 -0.04 0.00 0.00 -0.27 0.00 0.00 57.70 57.46 3fjo n MET 243 Cb 0.55 -1.37 0.00 0.00 2.15 0.00 0.00 33.22 34.55 3fjo n MET 243 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 3fjo n GLY 244 N 2.00 1.44 3.75 -5.12 0.00 -1.23 -4.96 105.19 101.08 3fjo n GLY 244 Ca -0.19 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.45 3fjo n GLY 244 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3fjo s ARG 245 N 2.11 3.02 0.40 1.61 0.52 -1.26 -4.96 118.95 120.38 3fjo s ARG 245 Ca 0.00 2.05 -0.27 0.00 -0.52 0.00 0.00 55.73 56.99 3fjo s ARG 245 Cb 0.00 -2.09 -0.10 0.00 0.52 0.00 0.00 34.95 33.28 3fjo s ARG 245 CO 0.00 -1.23 1.44 -1.17 0.02 0.00 0.00 175.30 174.36 3fjo s LEU 246 N -3.81 4.24 -0.96 2.53 0.20 -1.26 -2.84 118.68 116.77 3fjo s LEU 246 Ca 0.75 2.96 0.00 0.00 0.69 0.00 0.00 54.13 58.53 3fjo s LEU 246 Cb -0.36 -3.78 0.00 0.00 -0.43 0.00 0.00 46.19 41.62 3fjo s LEU 246 CO 0.41 -0.96 0.00 0.29 -0.29 0.00 0.00 176.35 175.79 3fjo n LYS 247 N 0.22 -0.92 0.18 1.98 4.01 -1.26 -4.89 118.16 117.47 3fjo n LYS 247 Ca 0.03 0.77 0.05 0.00 -0.51 0.00 0.00 58.31 58.64 3fjo n LYS 247 Cb 0.41 -4.74 0.28 0.00 -0.51 0.00 0.00 35.03 30.46 3fjo n LYS 247 CO 0.00 0.00 0.00 0.66 -1.11 0.00 0.00 177.40 176.95 3fjo h SER 248 N 0.00 0.00 0.69 4.39 4.64 -1.91 0.27 113.55 121.63 3fjo h SER 248 Ca -0.19 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.08 3fjo h SER 248 Cb 0.73 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.82 3fjo h SER 248 CO 0.27 0.42 -0.25 1.88 -0.87 0.00 0.00 176.83 178.28 3fjo h TYR 249 N 0.00 0.00 0.00 4.77 -1.99 -1.90 -1.64 116.97 116.20 3fjo h TYR 249 Ca -0.00 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.72 3fjo h TYR 249 Cb 0.99 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.72 3fjo h TYR 249 CO 0.00 0.25 -0.07 0.93 -0.00 0.00 0.00 178.16 179.27 3fjo h GLU 250 N 0.00 0.00 -0.26 4.88 4.39 -1.77 -3.41 114.58 118.40 3fjo h GLU 250 Ca -0.00 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.67 3fjo h GLU 250 Cb 0.67 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.30 3fjo h GLU 250 CO 0.03 0.24 0.06 -0.91 -1.16 0.00 0.00 179.01 177.27 3fjo h ASN 251 N -1.00 0.41 -6.15 1.42 -0.26 -0.98 -3.48 115.58 105.54 3fjo h ASN 251 Ca -0.01 -0.24 -0.27 0.00 -0.56 0.00 0.00 56.30 55.22 3fjo h ASN 251 Cb 0.28 -0.11 0.01 0.00 -1.06 0.00 0.00 38.32 37.44 3fjo h ASN 251 CO -0.00 0.54 -0.84 0.00 -1.06 0.00 0.00 177.43 176.07 3fjo n GLN 252 N -4.69 -1.83 -4.97 0.81 1.13 -0.62 -5.01 117.38 102.20 3fjo n GLN 252 Ca -0.03 1.41 -0.32 0.00 -1.94 0.00 0.00 57.00 56.12 3fjo n GLN 252 Cb 0.19 -3.49 -0.15 0.00 0.11 0.00 0.00 30.24 26.90 3fjo n GLN 252 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 3fjo s LYS 253 N -3.24 2.90 0.85 -1.09 1.02 -1.26 -5.12 119.74 113.80 3fjo s LYS 253 Ca 0.19 -0.76 -0.11 0.00 0.02 0.00 0.00 55.97 55.31 3fjo s LYS 253 Cb -0.03 -2.41 0.11 0.00 -0.52 0.00 0.00 37.83 34.98 3fjo s LYS 253 CO 0.84 0.37 1.16 -2.14 -0.92 0.00 0.00 175.35 174.66 3fjo s PRO 254 N -0.09 1.43 0.09 -1.68 0.02 -1.26 -4.49 135.00 129.02 3fjo s PRO 254 Ca -0.03 1.56 -0.21 0.00 0.02 0.00 0.00 61.00 62.33 3fjo s PRO 254 Cb -0.14 -1.77 -0.07 0.00 0.02 0.00 0.00 34.50 32.54 3fjo s PRO 254 CO 0.04 -2.33 0.64 -1.25 -0.33 0.00 0.00 177.00 173.77 3fjo s PRO 255 N -4.50 4.32 0.12 5.54 0.04 -1.26 -5.16 135.00 134.10 3fjo s PRO 255 Ca 0.68 0.87 -0.24 0.00 0.04 0.00 0.00 61.00 62.35 3fjo s PRO 255 Cb -0.24 -3.26 -0.07 0.00 0.04 0.00 0.00 34.50 30.97 3fjo s PRO 255 CO 0.55 0.59 0.72 -0.06 0.04 0.00 0.00 177.00 178.84 3fjo s PHE 256 N -1.02 3.85 0.00 0.56 0.08 -1.26 -4.83 117.98 115.36 3fjo s PHE 256 Ca 0.31 1.51 0.00 0.00 0.12 0.00 0.00 56.93 58.87 3fjo s PHE 256 Cb -0.20 -2.71 0.00 0.00 -0.57 0.00 0.00 43.02 39.54 3fjo s PHE 256 CO 0.21 0.49 0.00 -0.40 -0.10 0.00 0.00 175.22 175.42 3fjo n ASP 257 N 1.87 0.00 -0.30 1.36 5.68 -0.51 -4.83 116.55 119.83 3fjo n ASP 257 Ca -0.06 -0.52 0.08 0.00 -0.50 0.00 0.00 54.79 53.78 3fjo n ASP 257 Cb 0.49 0.00 0.24 0.00 -1.14 0.00 0.00 41.12 40.71 3fjo n ASP 257 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3fjo h ALA 258 N 2.00 1.30 0.00 2.12 0.00 -1.92 -1.30 119.26 121.45 3fjo h ALA 258 Ca 0.00 0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 3fjo h ALA 258 Cb 0.00 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 3fjo h ALA 258 CO 0.00 -0.13 -0.13 0.87 0.00 0.00 0.00 179.25 179.86 3fjo h LYS 259 N 0.59 0.00 -1.89 0.00 6.56 -1.96 -3.40 116.57 116.47 3fjo h LYS 259 Ca 0.48 0.00 -0.51 0.00 -1.06 0.00 0.00 60.65 59.56 3fjo h LYS 259 Cb 0.71 0.00 -0.35 0.00 -0.57 0.00 0.00 32.23 32.03 3fjo h LYS 259 CO -0.39 0.01 -0.96 -1.71 -2.06 0.00 0.00 179.45 174.35 3fjo n ASN 260 N -3.05 -0.64 -4.77 0.86 4.05 -0.54 -3.57 115.26 107.60 3fjo n ASN 260 Ca 0.03 -2.64 -0.36 0.00 0.45 0.00 0.00 54.58 52.07 3fjo n ASN 260 Cb 0.54 -0.20 -0.00 0.00 1.23 0.00 0.00 39.78 41.34 3fjo n ASN 260 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 177.26 172.05 3fjo s PRO 261 N -0.37 3.55 0.08 1.20 0.04 -0.93 -1.42 135.00 137.16 3fjo s PRO 261 Ca 0.34 1.72 -0.26 0.00 0.04 0.00 0.00 61.00 62.84 3fjo s PRO 261 Cb 0.11 -2.23 -0.06 0.00 0.04 0.00 0.00 34.50 32.36 3fjo s PRO 261 CO -0.15 -0.71 0.79 0.12 0.04 0.00 0.00 177.00 177.09 3fjo s PHE 262 N -1.63 3.79 -0.63 0.56 2.19 -0.02 -4.71 117.98 117.53 3fjo s PHE 262 Ca 0.68 1.56 -0.23 0.00 0.33 0.00 0.00 56.93 59.27 3fjo s PHE 262 Cb -0.27 -2.84 0.06 0.00 -1.31 0.00 0.00 43.02 38.67 3fjo s PHE 262 CO 0.32 0.33 0.94 -0.51 1.83 0.00 0.00 175.22 178.12 3fjo s LEU 263 N -0.33 4.37 -0.18 6.12 1.02 -1.26 -1.11 118.68 127.30 3fjo s LEU 263 Ca 0.39 -0.86 -0.12 0.00 0.02 0.00 0.00 54.13 53.56 3fjo s LEU 263 Cb -0.22 -2.50 -0.05 0.00 0.02 0.00 0.00 46.19 43.44 3fjo s LEU 263 CO 0.25 -1.37 0.23 0.00 0.02 0.00 0.00 176.35 175.48 3fjo s ALA 264 N 3.95 3.62 0.40 4.21 0.00 -0.71 -4.78 121.76 128.46 3fjo s ALA 264 Ca 0.23 -0.57 -0.25 0.00 0.00 0.00 0.00 51.96 51.37 3fjo s ALA 264 Cb -0.16 -2.33 -0.08 0.00 0.00 0.00 0.00 23.12 20.55 3fjo s ALA 264 CO 0.12 0.07 1.15 0.00 0.00 0.00 0.00 175.76 177.10 3fjo s ALA 265 N 0.53 3.14 -0.34 0.00 0.00 -1.23 -0.84 121.76 123.02 3fjo s ALA 265 Ca 0.13 0.92 -0.22 0.00 0.00 0.00 0.00 51.96 52.79 3fjo s ALA 265 Cb -0.12 -3.36 0.00 0.00 0.00 0.00 0.00 23.12 19.64 3fjo s ALA 265 CO 0.02 -0.48 0.74 0.08 0.00 0.00 0.00 175.76 176.12 3fjo s VAL 266 N -1.45 4.80 -0.10 0.00 1.01 -0.45 -0.89 120.40 123.31 3fjo s VAL 266 Ca 0.57 0.92 -0.03 0.00 0.00 0.00 0.00 61.98 63.44 3fjo s VAL 266 Cb -0.29 -4.15 -0.26 0.00 0.00 0.00 0.00 36.38 31.68 3fjo s VAL 266 CO 0.37 -0.33 0.46 0.74 0.00 0.00 0.00 175.10 176.33 3fjo h THR 267 N 5.67 0.70 -3.89 3.92 2.02 -1.28 -3.38 112.91 116.68 3fjo h THR 267 Ca -0.25 -2.43 -0.18 0.00 0.77 0.00 0.00 66.41 64.32 3fjo h THR 267 Cb 1.10 2.52 -0.23 0.00 -1.74 0.00 0.00 68.15 69.80 3fjo h THR 267 CO 0.88 0.83 -0.69 -0.89 0.37 0.00 0.00 175.52 176.01 3fjo s THR 268 N -2.57 0.08 -0.35 3.16 2.01 -1.23 -4.88 115.64 111.85 3fjo s THR 268 Ca -0.18 -0.66 0.07 0.00 0.31 0.00 0.00 61.69 61.22 3fjo s THR 268 Cb 0.07 -0.21 0.18 0.00 0.01 0.00 0.00 72.50 72.56 3fjo s THR 268 CO 0.79 -0.36 0.58 0.21 -0.69 0.00 0.00 174.62 175.15 3fjo s ASN 269 N -1.08 -1.28 0.05 3.53 3.84 -1.25 -1.63 114.94 117.12 3fjo s ASN 269 Ca -0.12 -0.42 0.06 0.00 0.21 0.00 0.00 52.86 52.59 3fjo s ASN 269 Cb -0.07 1.85 -0.02 0.00 -0.55 0.00 0.00 41.25 42.45 3fjo s ASN 269 CO -0.01 -0.24 -0.16 0.00 -2.79 0.00 0.00 177.10 173.90 3fjo s ARG 270 N 2.25 1.02 0.18 0.43 1.70 -0.92 -4.97 118.95 118.65 3fjo s ARG 270 Ca 0.13 -0.86 -0.32 0.00 -0.47 0.00 0.00 55.73 54.22 3fjo s ARG 270 Cb -0.08 -1.08 -0.11 0.00 -0.57 0.00 0.00 34.95 33.12 3fjo s ARG 270 CO -0.16 0.26 1.61 0.21 -1.08 0.00 0.00 175.30 176.15 3fjo s LYS 271 N -1.31 4.19 0.12 3.89 2.20 -1.26 -1.33 119.74 126.24 3fjo s LYS 271 Ca 0.03 2.44 0.22 0.00 -0.36 0.00 0.00 55.97 58.30 3fjo s LYS 271 Cb -0.09 -3.13 -0.11 0.00 -1.51 0.00 0.00 37.83 33.00 3fjo s LYS 271 CO 0.02 -0.65 0.86 1.28 -0.36 0.00 0.00 175.35 176.50 3fjo n LEU 272 N 3.95 0.56 -4.62 5.43 4.77 0.22 -4.88 117.00 122.43 3fjo n LEU 272 Ca 0.14 0.21 -0.28 0.00 -0.03 0.00 0.00 56.01 56.05 3fjo n LEU 272 Cb 0.37 -0.04 -0.09 0.00 -2.33 0.00 0.00 43.42 41.33 3fjo n LEU 272 CO 0.62 -0.12 -0.38 0.54 -1.33 0.00 0.00 177.39 176.73 3fjo s ASN 273 N -5.01 4.59 0.07 -1.43 2.20 -1.25 -4.53 114.94 109.58 3fjo s ASN 273 Ca -0.03 -0.39 -0.10 0.00 -0.94 0.00 0.00 52.86 51.40 3fjo s ASN 273 Cb 0.11 -0.93 -0.25 0.00 -2.00 0.00 0.00 41.25 38.18 3fjo s ASN 273 CO 0.83 0.14 1.14 1.56 -2.94 0.00 0.00 177.10 177.83 3fjo h GLN 274 N 3.19 0.50 -7.67 3.55 7.50 -1.74 -3.48 115.11 116.97 3fjo h GLN 274 Ca -0.48 -0.69 -0.45 0.00 0.50 0.00 0.00 58.65 57.54 3fjo h GLN 274 Cb 1.18 0.23 0.15 0.00 0.05 0.00 0.00 27.48 29.09 3fjo h GLN 274 CO 0.55 1.30 0.37 0.20 -1.50 0.00 0.00 178.83 179.75 3fjo s GLY 275 N -4.50 1.68 -0.00 3.46 0.00 0.70 -4.92 107.32 103.74 3fjo s GLY 275 Ca -0.07 -0.92 0.03 0.00 0.00 0.00 0.00 44.72 43.76 3fjo s GLY 275 CO 0.91 -0.24 0.08 2.41 0.00 0.00 0.00 173.10 176.26 3fjo n THR 276 N -3.77 0.00 -0.12 0.90 -1.04 -1.26 -4.58 114.28 104.41 3fjo n THR 276 Ca 0.12 -0.12 -0.06 0.00 -2.04 0.00 0.00 64.05 61.94 3fjo n THR 276 Cb 0.60 0.49 0.00 0.00 -1.82 0.00 0.00 70.33 69.60 3fjo n THR 276 CO 0.00 0.00 0.00 -0.08 -0.64 0.00 0.00 175.07 174.35 3fjo h GLU 277 N 0.00 -0.18 -6.60 -2.82 4.57 -1.96 -3.43 114.58 104.15 3fjo h GLU 277 Ca 0.00 0.01 -0.65 0.00 -1.18 0.00 0.00 59.36 57.54 3fjo h GLU 277 Cb 0.15 0.04 -0.18 0.00 -0.16 0.00 0.00 28.75 28.60 3fjo h GLU 277 CO 0.00 -0.12 -0.81 1.03 -1.18 0.00 0.00 179.01 177.93 3fjo s ARG 278 N -6.07 1.60 -0.26 1.92 0.52 -1.26 -5.12 118.95 110.28 3fjo s ARG 278 Ca -0.15 -1.48 -0.03 0.00 -0.52 0.00 0.00 55.73 53.55 3fjo s ARG 278 Cb 0.14 -1.90 0.02 0.00 0.52 0.00 0.00 34.95 33.74 3fjo s ARG 278 CO 0.69 0.41 -0.01 -1.58 0.02 0.00 0.00 175.30 174.82 3fjo s HIS 279 N -1.65 3.10 -0.06 -0.53 5.65 -1.26 -4.81 115.29 115.72 3fjo s HIS 279 Ca 0.21 -1.38 0.03 0.00 0.25 0.00 0.00 55.06 54.17 3fjo s HIS 279 Cb -0.08 -2.12 -0.02 0.00 -1.18 0.00 0.00 32.58 29.17 3fjo s HIS 279 CO 0.11 -0.68 -0.14 -0.51 -0.65 0.00 0.00 174.74 172.86 3fjo s LEU 280 N 1.38 2.72 0.05 8.88 1.43 -1.26 -0.11 118.68 131.76 3fjo s LEU 280 Ca 0.01 -0.22 0.02 0.00 -1.03 0.00 0.00 54.13 52.91 3fjo s LEU 280 Cb -0.17 -1.56 -0.03 0.00 0.03 0.00 0.00 46.19 44.46 3fjo s LEU 280 CO -0.02 0.32 -0.08 0.00 0.23 0.00 0.00 176.35 176.80 3fjo s MET 281 N -0.55 0.58 -0.25 1.70 0.23 0.62 -0.61 119.30 121.02 3fjo s MET 281 Ca 0.08 -0.85 0.00 0.00 -1.03 0.00 0.00 55.69 53.89 3fjo s MET 281 Cb -0.11 -0.30 0.04 0.00 -1.53 0.00 0.00 34.83 32.92 3fjo s MET 281 CO 0.01 0.05 -0.08 -1.58 -2.03 0.00 0.00 175.02 171.39 3fjo s HIS 282 N -1.69 3.12 0.13 3.16 2.46 -0.44 -1.71 115.29 120.32 3fjo s HIS 282 Ca -0.07 -1.85 0.05 0.00 0.47 0.00 0.00 55.06 53.66 3fjo s HIS 282 Cb -0.08 -2.01 -0.04 0.00 -0.13 0.00 0.00 32.58 30.32 3fjo s HIS 282 CO -0.00 -0.80 0.09 -0.51 -2.47 0.00 0.00 174.74 171.05 3fjo s LEU 283 N 1.24 3.71 -0.09 8.88 1.02 -0.28 -2.16 118.68 131.00 3fjo s LEU 283 Ca -0.03 -0.13 0.02 0.00 0.02 0.00 0.00 54.13 54.01 3fjo s LEU 283 Cb -0.18 -2.36 0.01 0.00 0.02 0.00 0.00 46.19 43.69 3fjo s LEU 283 CO -0.05 0.11 -0.14 -1.61 0.02 0.00 0.00 176.35 174.68 3fjo s GLU 284 N -2.81 2.02 -0.26 1.70 2.02 -0.65 -1.13 118.70 119.59 3fjo s GLU 284 Ca 0.30 -0.50 -0.04 0.00 0.02 0.00 0.00 54.97 54.74 3fjo s GLU 284 Cb -0.11 -1.70 0.01 0.00 0.10 0.00 0.00 34.13 32.43 3fjo s GLU 284 CO 0.22 -0.02 -0.00 -0.51 0.02 0.00 0.00 175.26 174.96 3fjo s LEU 285 N 0.86 3.38 -0.36 1.80 1.02 0.05 -0.71 118.68 124.72 3fjo s LEU 285 Ca -0.10 -0.69 -0.29 0.00 0.02 0.00 0.00 54.13 53.07 3fjo s LEU 285 Cb -0.15 -1.77 0.01 0.00 0.02 0.00 0.00 46.19 44.30 3fjo s LEU 285 CO 0.01 -0.13 1.24 -0.62 0.02 0.00 0.00 176.35 176.87 3fjo s ASP 286 N 1.43 6.66 -0.14 2.29 3.68 -0.07 -0.91 116.67 129.60 3fjo s ASP 286 Ca 0.02 0.94 0.16 0.00 2.13 0.00 0.00 52.55 55.80 3fjo s ASP 286 Cb -0.16 -2.54 0.58 0.00 -1.45 0.00 0.00 42.92 39.34 3fjo s ASP 286 CO -0.01 -1.14 1.49 2.30 0.13 0.00 0.00 175.17 177.94 3fjo n ILE 287 N 6.44 2.05 -1.55 4.11 -5.35 -0.53 -3.51 119.36 121.02 3fjo n ILE 287 Ca 0.14 -1.51 -0.50 0.00 -0.27 0.00 0.00 62.75 60.61 3fjo n ILE 287 Cb 0.47 -0.05 -0.04 0.00 -1.74 0.00 0.00 39.64 38.28 3fjo n ILE 287 CO 0.00 0.00 0.00 -1.20 -1.76 0.00 0.00 176.55 173.59 3fjo n SER 288 N 0.20 0.91 -0.91 7.28 7.64 -1.18 -1.79 113.62 125.76 3fjo n SER 288 Ca 0.22 1.14 -0.12 0.00 1.01 0.00 0.00 58.87 61.12 3fjo n SER 288 Cb 0.86 -1.15 -0.05 0.00 -1.01 0.00 0.00 64.21 62.86 3fjo n SER 288 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 3fjo n ASP 289 N 1.95 -4.73 -0.05 6.43 8.00 -1.26 -4.86 116.55 122.03 3fjo n ASP 289 Ca 0.16 0.29 -0.09 0.00 0.71 0.00 0.00 54.79 55.86 3fjo n ASP 289 Cb 0.22 -3.27 -0.15 0.00 -0.02 0.00 0.00 41.12 37.91 3fjo n ASP 289 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 3fjo n SER 290 N -0.31 0.59 0.00 -2.24 3.41 -0.74 -4.98 113.62 109.35 3fjo n SER 290 Ca -0.12 0.28 0.00 0.00 -0.26 0.00 0.00 58.87 58.78 3fjo n SER 290 Cb 0.44 0.28 0.00 0.00 -0.26 0.00 0.00 64.21 64.67 3fjo n SER 290 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3fjo n LYS 291 N -2.95 -0.61 -2.26 4.33 4.76 -1.26 -4.70 118.16 115.47 3fjo n LYS 291 Ca -0.22 0.15 -0.41 0.00 -2.87 0.00 0.00 58.31 54.96 3fjo n LYS 291 Cb 1.08 -3.62 -0.03 0.00 -1.84 0.00 0.00 35.03 30.62 3fjo n LYS 291 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3fjo s ILE 292 N -1.75 3.38 -0.08 -0.18 1.01 -1.26 -5.02 121.20 117.29 3fjo s ILE 292 Ca 0.00 1.09 -0.00 0.00 0.00 0.00 0.00 60.65 61.74 3fjo s ILE 292 Cb 0.00 -3.70 -0.03 0.00 0.01 0.00 0.00 42.46 38.74 3fjo s ILE 292 CO 0.00 0.14 -0.06 -0.13 0.00 0.00 0.00 174.94 174.90 3fjo s ARG 293 N 0.19 2.90 0.13 2.79 1.81 -1.26 -5.01 118.95 120.50 3fjo s ARG 293 Ca 0.57 -0.53 -0.03 0.00 -1.72 0.00 0.00 55.73 54.03 3fjo s ARG 293 Cb -0.35 -2.65 -0.03 0.00 -0.45 0.00 0.00 34.95 31.46 3fjo s ARG 293 CO 0.36 0.61 0.10 1.52 -0.68 0.00 0.00 175.30 177.20 3fjo s TYR 294 N -0.65 0.71 0.14 -0.53 -0.85 -1.26 -4.98 117.35 109.92 3fjo s TYR 294 Ca 0.10 -1.10 0.05 0.00 -0.52 0.00 0.00 57.07 55.59 3fjo s TYR 294 Cb -0.12 -0.37 -0.04 0.00 0.38 0.00 0.00 41.96 41.81 3fjo s TYR 294 CO 0.02 -0.55 -0.11 -1.21 -1.52 0.00 0.00 175.55 172.18 3fjo s GLU 295 N -4.01 1.03 0.28 -3.49 0.41 -1.26 -4.55 118.70 107.10 3fjo s GLU 295 Ca 0.20 -1.39 -0.30 0.00 -0.41 0.00 0.00 54.97 53.08 3fjo s GLU 295 Cb 0.07 -0.64 -0.13 0.00 -1.78 0.00 0.00 34.13 31.64 3fjo s GLU 295 CO -0.00 0.09 1.30 0.43 -0.49 0.00 0.00 175.26 176.58 3fjo n SER 296 N -0.01 2.48 0.00 -0.19 7.64 -1.26 -1.97 113.62 120.31 3fjo n SER 296 Ca -0.12 1.17 0.00 0.00 1.01 0.00 0.00 58.87 60.93 3fjo n SER 296 Cb 0.60 -1.42 0.00 0.00 -1.01 0.00 0.00 64.21 62.38 3fjo n SER 296 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3fjo n GLY 297 N 1.54 2.36 3.79 0.23 0.00 -1.26 -4.58 105.19 107.27 3fjo n GLY 297 Ca 0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.81 3fjo n GLY 297 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3fjo s ASP 298 N -1.35 4.20 0.10 1.61 1.01 -0.83 -4.58 116.67 116.82 3fjo s ASP 298 Ca 0.00 1.28 0.06 0.00 0.71 0.00 0.00 52.55 54.61 3fjo s ASP 298 Cb 0.00 -1.99 -0.04 0.00 1.01 0.00 0.00 42.92 41.90 3fjo s ASP 298 CO 0.00 -2.15 -0.08 -1.00 0.21 0.00 0.00 175.17 172.15 3fjo s HIS 299 N -3.14 2.80 -0.13 4.23 3.76 -1.13 -1.80 115.29 119.88 3fjo s HIS 299 Ca 0.62 -0.12 -0.01 0.00 -0.15 0.00 0.00 55.06 55.40 3fjo s HIS 299 Cb -0.15 -1.46 -0.02 0.00 1.11 0.00 0.00 32.58 32.06 3fjo s HIS 299 CO 0.54 0.44 -0.12 0.54 -0.85 0.00 0.00 174.74 175.30 3fjo s VAL 300 N -1.24 3.17 0.07 -0.90 0.11 0.65 -1.99 120.40 120.27 3fjo s VAL 300 Ca 0.22 -0.62 0.03 0.00 -2.93 0.00 0.00 61.98 58.68 3fjo s VAL 300 Cb -0.11 -2.34 -0.04 0.00 -1.53 0.00 0.00 36.38 32.36 3fjo s VAL 300 CO 0.15 0.52 0.08 0.00 -3.33 0.00 0.00 175.10 172.52 3fjo s ALA 301 N 0.36 3.58 -0.04 1.54 0.00 0.76 -1.20 121.76 126.75 3fjo s ALA 301 Ca -0.10 -1.00 -0.01 0.00 0.00 0.00 0.00 51.96 50.85 3fjo s ALA 301 Cb -0.16 -1.46 0.03 0.00 0.00 0.00 0.00 23.12 21.54 3fjo s ALA 301 CO 0.05 0.75 0.08 0.08 0.00 0.00 0.00 175.76 176.72 3fjo s VAL 302 N -1.38 -0.05 -0.48 0.00 1.01 -0.21 -1.26 120.40 118.03 3fjo s VAL 302 Ca 0.29 0.17 -0.16 0.00 0.00 0.00 0.00 61.98 62.28 3fjo s VAL 302 Cb -0.12 -0.15 0.07 0.00 0.00 0.00 0.00 36.38 36.18 3fjo s VAL 302 CO 0.22 0.07 0.46 -0.31 0.00 0.00 0.00 175.10 175.53 3fjo s TYR 303 N 0.96 3.19 0.47 5.22 2.02 -0.90 -0.64 117.35 127.66 3fjo s TYR 303 Ca -0.08 -0.82 -0.06 0.00 -0.37 0.00 0.00 57.07 55.74 3fjo s TYR 303 Cb -0.10 -3.27 0.10 0.00 -0.40 0.00 0.00 41.96 38.29 3fjo s TYR 303 CO -0.04 -0.86 0.64 -0.35 -1.57 0.00 0.00 175.55 173.38 3fjo n PRO 304 N 5.46 -0.39 -4.45 -1.71 -0.04 -1.26 -4.50 135.00 128.11 3fjo n PRO 304 Ca -0.11 -1.19 -0.26 0.00 -0.04 0.00 0.00 63.50 61.90 3fjo n PRO 304 Cb 0.44 -0.60 -0.13 0.00 -0.04 0.00 0.00 33.50 33.17 3fjo n PRO 304 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3fjo s ALA 305 N -3.66 1.97 0.52 0.55 0.00 -1.26 -4.81 121.76 115.06 3fjo s ALA 305 Ca 0.38 -1.26 -0.20 0.00 0.00 0.00 0.00 51.96 50.89 3fjo s ALA 305 Cb -0.01 -0.32 -0.07 0.00 0.00 0.00 0.00 23.12 22.72 3fjo s ALA 305 CO 0.26 0.43 1.07 -0.80 0.00 0.00 0.00 175.76 176.72 3fjo s ASN 306 N -1.72 6.08 0.16 0.00 0.01 -0.17 -4.78 114.94 114.52 3fjo s ASN 306 Ca 0.09 2.00 -0.31 0.00 -0.71 0.00 0.00 52.86 53.93 3fjo s ASN 306 Cb -0.10 -2.56 -0.11 0.00 0.41 0.00 0.00 41.25 38.89 3fjo s ASN 306 CO 0.04 -0.97 1.77 -0.62 -1.51 0.00 0.00 177.10 175.82 3fjo s ASP 307 N -1.98 6.41 0.30 -1.22 2.15 -1.26 -4.89 116.67 116.17 3fjo s ASP 307 Ca 0.69 2.80 0.02 0.00 0.43 0.00 0.00 52.55 56.49 3fjo s ASP 307 Cb -0.19 -2.58 0.46 0.00 -0.30 0.00 0.00 42.92 40.31 3fjo s ASP 307 CO 0.24 -0.99 1.80 0.77 -0.17 0.00 0.00 175.17 176.82 3fjo h SER 308 N 7.77 0.58 -0.90 -0.34 4.64 -1.99 -1.67 113.55 121.65 3fjo h SER 308 Ca -0.45 -0.14 0.03 0.00 -0.47 0.00 0.00 61.79 60.77 3fjo h SER 308 Cb 1.21 -0.15 -0.05 0.00 -0.31 0.00 0.00 62.40 63.09 3fjo h SER 308 CO 0.95 0.69 0.58 0.00 -0.87 0.00 0.00 176.83 178.19 3fjo h ALA 309 N 1.37 1.18 -0.38 5.18 0.00 -1.99 0.28 119.26 124.89 3fjo h ALA 309 Ca 0.11 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 3fjo h ALA 309 Cb 0.45 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 3fjo h ALA 309 CO 0.02 0.44 0.17 1.25 0.00 0.00 0.00 179.25 181.14 3fjo h LEU 310 N 1.13 0.51 -0.50 0.00 6.46 -1.72 -0.88 115.31 120.31 3fjo h LEU 310 Ca 0.35 -0.14 -0.03 0.00 -0.12 0.00 0.00 57.88 57.94 3fjo h LEU 310 Cb -0.01 -0.13 -0.02 0.00 -0.73 0.00 0.00 40.66 39.77 3fjo h LEU 310 CO -0.11 0.51 0.20 0.58 -0.62 0.00 0.00 178.44 179.00 3fjo h VAL 311 N 0.48 1.21 0.35 1.05 2.07 -0.66 -1.29 116.25 119.46 3fjo h VAL 311 Ca 0.13 -0.67 -0.00 0.00 0.82 0.00 0.00 66.70 66.98 3fjo h VAL 311 Cb 0.15 0.71 -0.02 0.00 -1.52 0.00 0.00 31.29 30.61 3fjo h VAL 311 CO -0.01 0.25 -0.34 0.78 0.02 0.00 0.00 177.57 178.27 3fjo h ASN 312 N 0.67 -0.90 -0.99 0.57 4.21 -0.36 -1.30 115.58 117.48 3fjo h ASN 312 Ca 0.17 0.08 0.20 0.00 1.21 0.00 0.00 56.30 57.96 3fjo h ASN 312 Cb 0.20 0.30 -0.10 0.00 -1.12 0.00 0.00 38.32 37.60 3fjo h ASN 312 CO -0.01 -0.48 0.62 1.56 -1.29 0.00 0.00 177.43 177.83 3fjo h GLN 313 N -0.71 0.64 -0.25 0.81 4.20 -1.02 -0.31 115.11 118.48 3fjo h GLN 313 Ca -0.02 -0.04 -0.03 0.00 0.06 0.00 0.00 58.65 58.62 3fjo h GLN 313 Cb 0.64 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 28.26 3fjo h GLN 313 CO -0.05 0.42 0.03 1.25 -0.67 0.00 0.00 178.83 179.81 3fjo h LEU 314 N 0.66 0.40 -1.33 1.46 6.46 -0.87 -2.51 115.31 119.59 3fjo h LEU 314 Ca 0.57 -0.28 -0.03 0.00 -0.12 0.00 0.00 57.88 58.02 3fjo h LEU 314 Cb 1.03 -0.11 -0.02 0.00 -0.73 0.00 0.00 40.66 40.83 3fjo h LEU 314 CO -0.35 0.58 0.10 1.23 -0.62 0.00 0.00 178.44 179.38 3fjo h GLY 315 N 0.21 0.59 2.00 3.75 0.00 0.05 -2.05 103.07 107.63 3fjo h GLY 315 Ca 0.07 -0.30 -0.12 0.00 0.00 0.00 0.00 47.33 46.98 3fjo h GLY 315 CO 0.01 0.29 -0.58 1.70 0.00 0.00 0.00 176.54 177.95 3fjo h LYS 316 N 0.55 0.00 0.00 4.80 3.64 -0.95 -2.53 116.57 122.07 3fjo h LYS 316 Ca 0.13 0.00 -0.21 0.00 -1.27 0.00 0.00 60.65 59.30 3fjo h LYS 316 Cb 0.20 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 31.98 3fjo h LYS 316 CO -0.00 0.58 -1.48 0.97 -2.27 0.00 0.00 179.45 177.25 3fjo h ILE 317 N 0.00 0.65 0.00 2.00 2.10 -1.24 -3.30 117.51 117.72 3fjo h ILE 317 Ca -0.01 -2.27 0.00 0.00 1.08 0.00 0.00 64.86 63.67 3fjo h ILE 317 Cb 1.16 2.19 0.00 0.00 -1.09 0.00 0.00 36.82 39.07 3fjo h ILE 317 CO 0.08 0.37 0.00 -0.07 -1.08 0.00 0.00 178.15 177.44 3fjo h LEU 318 N 0.00 0.00 0.00 2.19 4.07 -1.37 -3.47 115.31 116.73 3fjo h LEU 318 Ca -0.20 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.76 3fjo h LEU 318 Cb 1.73 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.47 3fjo h LEU 318 CO 0.06 0.00 0.00 0.61 -1.08 0.00 0.00 178.44 178.03 3fjo n GLY 319 N 0.66 1.55 3.81 0.83 0.00 -1.00 -4.79 105.19 106.24 3fjo n GLY 319 Ca 0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.70 3fjo n GLY 319 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fjo s ALA 320 N -3.43 3.35 -0.22 4.61 0.00 -0.99 -5.00 121.76 120.07 3fjo s ALA 320 Ca 0.00 0.24 -0.21 0.00 0.00 0.00 0.00 51.96 51.99 3fjo s ALA 320 Cb 0.00 -2.91 -0.02 0.00 0.00 0.00 0.00 23.12 20.19 3fjo s ALA 320 CO 0.00 0.29 0.63 0.34 0.00 0.00 0.00 175.76 177.02 3fjo s ASP 321 N -1.71 6.64 0.12 0.00 2.15 -1.26 -4.60 116.67 118.01 3fjo s ASP 321 Ca 0.46 0.78 0.24 0.00 0.43 0.00 0.00 52.55 54.47 3fjo s ASP 321 Cb -0.16 -2.34 0.41 0.00 -0.30 0.00 0.00 42.92 40.52 3fjo s ASP 321 CO 0.21 -0.31 1.38 0.18 -0.17 0.00 0.00 175.17 176.45 3fjo n LEU 322 N 5.32 0.69 -0.01 -1.34 4.32 -1.26 -3.58 117.00 121.14 3fjo n LEU 322 Ca -0.01 0.26 0.14 0.00 -0.02 0.00 0.00 56.01 56.37 3fjo n LEU 322 Cb 0.49 -0.20 0.56 0.00 -1.62 0.00 0.00 43.42 42.65 3fjo n LEU 322 CO 0.44 -0.06 0.86 0.47 -1.22 0.00 0.00 177.39 177.88 3fjo n ASP 323 N -2.09 0.13 -4.51 -1.43 8.00 -1.26 -0.26 116.55 115.12 3fjo n ASP 323 Ca 0.04 0.23 -0.47 0.00 0.71 0.00 0.00 54.79 55.30 3fjo n ASP 323 Cb 0.43 -0.31 -0.05 0.00 -0.02 0.00 0.00 41.12 41.17 3fjo n ASP 323 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 3fjo n VAL 324 N -1.44 0.23 -2.45 2.53 0.31 -1.24 -4.84 118.33 111.43 3fjo n VAL 324 Ca 0.08 -0.36 -0.39 0.00 -0.01 0.00 0.00 64.34 63.65 3fjo n VAL 324 Cb 0.33 -2.03 -0.04 0.00 -0.91 0.00 0.00 33.84 31.18 3fjo n VAL 324 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 3fjo s VAL 325 N 7.99 3.46 0.23 2.52 1.01 -1.26 -3.11 120.40 131.24 3fjo s VAL 325 Ca 1.06 1.38 -0.22 0.00 0.00 0.00 0.00 61.98 64.20 3fjo s VAL 325 Cb -0.63 -3.84 0.05 0.00 0.00 0.00 0.00 36.38 31.95 3fjo s VAL 325 CO 0.43 0.26 0.87 0.00 0.00 0.00 0.00 175.10 176.65 3fjo s MET 326 N -1.73 1.53 0.07 2.72 0.23 0.26 -2.49 119.30 119.89 3fjo s MET 326 Ca 0.48 -0.88 0.06 0.00 -1.03 0.00 0.00 55.69 54.32 3fjo s MET 326 Cb -0.30 0.50 -0.03 0.00 -1.53 0.00 0.00 34.83 33.46 3fjo s MET 326 CO 0.39 -0.70 -0.15 -1.12 -2.03 0.00 0.00 175.02 171.40 3fjo s SER 327 N -2.99 1.80 -0.39 -1.18 0.01 -0.92 -1.10 113.70 108.92 3fjo s SER 327 Ca 0.13 -0.62 0.01 0.00 1.31 0.00 0.00 55.95 56.78 3fjo s SER 327 Cb -0.03 -0.06 0.11 0.00 0.21 0.00 0.00 66.02 66.24 3fjo s SER 327 CO 0.05 -0.05 0.15 -0.76 0.41 0.00 0.00 173.24 173.03 3fjo s LEU 328 N -1.74 4.97 -0.03 2.44 1.43 -1.26 -2.29 118.68 122.19 3fjo s LEU 328 Ca -0.01 -2.19 -0.13 0.00 -1.03 0.00 0.00 54.13 50.77 3fjo s LEU 328 Cb -0.10 -1.72 -0.05 0.00 0.03 0.00 0.00 46.19 44.34 3fjo s LEU 328 CO 0.03 -0.44 0.35 0.20 0.23 0.00 0.00 176.35 176.71 3fjo s ASN 329 N 1.20 6.70 0.15 2.29 0.01 -0.60 -4.18 114.94 120.51 3fjo s ASN 329 Ca 0.10 0.84 -0.31 0.00 -0.71 0.00 0.00 52.86 52.78 3fjo s ASN 329 Cb -0.21 -2.21 -0.08 0.00 0.41 0.00 0.00 41.25 39.16 3fjo s ASN 329 CO -0.06 0.33 1.40 0.21 -1.51 0.00 0.00 177.10 177.47 3fjo s ASN 330 N -0.97 6.80 0.29 -1.22 3.04 -0.41 -0.15 114.94 122.32 3fjo s ASN 330 Ca 0.22 2.40 0.04 0.00 0.04 0.00 0.00 52.86 55.55 3fjo s ASN 330 Cb -0.15 -2.59 0.43 0.00 -1.54 0.00 0.00 41.25 37.39 3fjo s ASN 330 CO 0.11 -0.65 1.71 -0.07 -3.04 0.00 0.00 177.10 175.16 3fjo h LEU 331 N 6.40 0.40 -8.32 3.21 3.38 -1.56 -3.33 115.31 115.49 3fjo h LEU 331 Ca -0.43 -0.15 -0.36 0.00 0.09 0.00 0.00 57.88 57.04 3fjo h LEU 331 Cb 1.21 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 41.81 3fjo h LEU 331 CO 0.85 0.70 0.94 -0.62 0.09 0.00 0.00 178.44 180.39 3fjo s ASP 332 N -6.84 5.16 0.48 -0.43 -1.08 -1.26 -4.86 116.67 107.84 3fjo s ASP 332 Ca -0.06 -0.31 0.14 0.00 -0.52 0.00 0.00 52.55 51.80 3fjo s ASP 332 Cb 0.14 -2.55 1.11 0.00 -1.46 0.00 0.00 42.92 40.16 3fjo s ASP 332 CO 0.78 -2.64 2.08 -0.08 0.52 0.00 0.00 175.17 175.84 3fjo h GLU 333 N 12.63 0.11 -0.01 4.34 4.57 -1.99 -2.67 114.58 131.55 3fjo h GLU 333 Ca -0.03 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.14 3fjo h GLU 333 Cb 1.06 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.63 3fjo h GLU 333 CO 1.21 0.12 -0.13 0.39 -1.18 0.00 0.00 179.01 179.43 3fjo n GLU 334 N -4.46 1.38 -1.43 1.92 4.71 -1.26 -4.97 120.64 116.53 3fjo n GLU 334 Ca -0.02 -0.87 -0.30 0.00 -0.01 0.00 0.00 57.16 55.96 3fjo n GLU 334 Cb 0.13 -1.48 0.09 0.00 -1.01 0.00 0.00 31.44 29.17 3fjo n GLU 334 CO 0.00 0.00 0.00 0.45 0.09 0.00 0.00 177.13 177.67 3fjo s SER 335 N -2.22 4.51 -0.05 1.62 0.15 -1.01 -5.01 113.70 111.69 3fjo s SER 335 Ca 0.31 1.52 -0.20 0.00 0.70 0.00 0.00 55.95 58.27 3fjo s SER 335 Cb 0.20 -2.27 -0.15 0.00 -1.71 0.00 0.00 66.02 62.09 3fjo s SER 335 CO 0.42 -1.98 0.84 -0.55 1.20 0.00 0.00 173.24 173.16 3fjo h ASN 336 N -1.10 -0.20 -1.87 5.45 -1.07 -1.93 -3.40 115.58 111.46 3fjo h ASN 336 Ca -0.46 -0.32 -0.48 0.00 0.07 0.00 0.00 56.30 55.10 3fjo h ASN 336 Cb 1.25 0.05 -0.04 0.00 -2.07 0.00 0.00 38.32 37.51 3fjo h ASN 336 CO 0.56 0.35 1.27 -1.59 0.07 0.00 0.00 177.43 178.09 3fjo s LYS 337 N -3.37 2.67 0.25 4.14 0.00 -1.26 -4.79 119.74 117.37 3fjo s LYS 337 Ca -0.12 0.44 0.06 0.00 0.00 0.00 0.00 55.97 56.34 3fjo s LYS 337 Cb 0.00 -4.45 0.30 0.00 0.00 0.00 0.00 37.83 33.69 3fjo s LYS 337 CO 0.45 -2.75 1.59 0.87 0.00 0.00 0.00 175.35 175.51 3fjo h LYS 338 N 14.20 0.21 -4.88 1.78 1.57 -1.94 -3.43 116.57 124.07 3fjo h LYS 338 Ca -0.22 -0.14 -0.28 0.00 -1.87 0.00 0.00 60.65 58.14 3fjo h LYS 338 Cb 1.14 0.02 -0.15 0.00 0.08 0.00 0.00 32.23 33.32 3fjo h LYS 338 CO 1.22 0.72 -0.71 -1.01 -0.57 0.00 0.00 179.45 179.11 3fjo s HIS 339 N -3.81 1.10 -0.19 -1.35 3.76 -1.26 -1.28 115.29 112.25 3fjo s HIS 339 Ca -0.04 -0.83 0.23 0.00 -0.15 0.00 0.00 55.06 54.28 3fjo s HIS 339 Cb 0.12 -0.59 0.55 0.00 1.11 0.00 0.00 32.58 33.78 3fjo s HIS 339 CO 0.79 -0.02 1.67 -1.00 -0.85 0.00 0.00 174.74 175.33 3fjo h PRO 340 N 2.86 0.00 -2.87 8.40 0.13 -1.89 -3.47 132.00 135.16 3fjo h PRO 340 Ca -0.36 0.00 0.05 0.00 -0.87 0.00 0.00 66.00 64.82 3fjo h PRO 340 Cb 1.18 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.22 3fjo h PRO 340 CO 0.64 0.15 0.27 -0.59 -0.23 0.00 0.00 178.00 178.24 3fjo s PHE 341 N -3.30 -0.33 -0.20 1.56 -0.12 -1.26 -4.97 117.98 109.35 3fjo s PHE 341 Ca 0.04 0.01 -0.40 0.00 -0.05 0.00 0.00 56.93 56.54 3fjo s PHE 341 Cb 0.07 0.63 -0.16 0.00 -0.63 0.00 0.00 43.02 42.93 3fjo s PHE 341 CO 0.66 -0.99 1.62 -2.30 -0.05 0.00 0.00 175.22 174.16 3fjo n PRO 342 N -0.41 1.01 -4.17 1.99 -0.02 -1.26 -4.95 135.00 127.19 3fjo n PRO 342 Ca -0.10 0.37 -0.13 0.00 -2.02 0.00 0.00 63.50 61.62 3fjo n PRO 342 Cb 0.62 -2.02 -0.11 0.00 -0.02 0.00 0.00 33.50 31.97 3fjo n PRO 342 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3fjo s PRO 344 N -3.03 4.28 0.13 0.00 0.02 -1.26 -4.86 135.00 130.28 3fjo s PRO 344 Ca 0.07 2.10 -0.17 0.00 0.02 0.00 0.00 61.00 63.02 3fjo s PRO 344 Cb -0.01 -2.98 0.04 0.00 0.02 0.00 0.00 34.50 31.57 3fjo s PRO 344 CO -0.01 -0.21 0.42 -0.08 -0.33 0.00 0.00 177.00 176.80 3fjo s THR 345 N -1.20 0.06 0.57 0.99 -1.32 -0.26 0.15 115.64 114.63 3fjo s THR 345 Ca 0.51 -0.51 -0.08 0.00 -1.21 0.00 0.00 61.69 60.39 3fjo s THR 345 Cb -0.37 -1.15 -0.03 0.00 -1.51 0.00 0.00 72.50 69.43 3fjo s THR 345 CO 0.49 -0.28 0.93 -0.94 -2.21 0.00 0.00 174.62 172.61 3fjo s SER 346 N -2.80 6.15 0.16 8.08 1.04 -1.26 -0.57 113.70 124.49 3fjo s SER 346 Ca 0.03 1.16 -0.14 0.00 0.48 0.00 0.00 55.95 57.48 3fjo s SER 346 Cb 0.02 -2.30 0.04 0.00 0.10 0.00 0.00 66.02 63.88 3fjo s SER 346 CO -0.12 -0.80 1.73 1.88 0.98 0.00 0.00 173.24 176.91 3fjo h TYR 347 N -0.11 0.73 -0.54 5.02 0.05 -1.28 -0.70 116.97 120.13 3fjo h TYR 347 Ca -0.45 -0.04 0.11 0.00 0.05 0.00 0.00 58.73 58.40 3fjo h TYR 347 Cb 1.20 -0.23 -0.10 0.00 1.01 0.00 0.00 36.73 38.62 3fjo h TYR 347 CO 0.61 0.59 -0.09 -0.09 -1.05 0.00 0.00 178.16 178.13 3fjo h ARG 348 N 0.67 0.04 -0.38 4.88 2.43 -0.95 -0.85 114.38 120.21 3fjo h ARG 348 Ca 0.17 -0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 59.27 3fjo h ARG 348 Cb 0.14 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.66 3fjo h ARG 348 CO -0.02 0.02 -0.02 1.15 -1.51 0.00 0.00 179.97 179.60 3fjo h THR 349 N 0.04 1.26 -0.11 0.20 2.02 -1.73 -0.74 112.91 113.85 3fjo h THR 349 Ca 0.27 -1.03 -0.00 0.00 0.77 0.00 0.00 66.41 66.41 3fjo h THR 349 Cb 0.42 1.19 -0.01 0.00 -1.74 0.00 0.00 68.15 68.01 3fjo h THR 349 CO -0.52 0.35 0.06 0.00 0.37 0.00 0.00 175.52 175.77 3fjo h ALA 350 N 0.86 0.14 -0.99 6.16 0.00 -0.70 0.98 119.26 125.71 3fjo h ALA 350 Ca 0.10 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.97 3fjo h ALA 350 Cb 0.50 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.20 3fjo h ALA 350 CO 0.02 -0.33 0.64 -0.07 0.00 0.00 0.00 179.25 179.51 3fjo h LEU 351 N 0.09 1.15 0.12 0.00 4.07 -1.18 0.92 115.31 120.48 3fjo h LEU 351 Ca 0.04 -0.04 -0.01 0.00 0.08 0.00 0.00 57.88 57.95 3fjo h LEU 351 Cb 0.07 -0.29 0.00 0.00 1.08 0.00 0.00 40.66 41.52 3fjo h LEU 351 CO -0.01 0.85 -0.06 0.74 -1.08 0.00 0.00 178.44 178.88 3fjo h THR 352 N 1.34 1.07 0.00 0.22 2.02 -0.80 -3.40 112.91 113.37 3fjo h THR 352 Ca 0.36 -1.04 -0.14 0.00 0.77 0.00 0.00 66.41 66.36 3fjo h THR 352 Cb -0.13 1.70 -0.03 0.00 -1.74 0.00 0.00 68.15 67.95 3fjo h THR 352 CO -0.07 0.24 -1.61 -1.22 0.37 0.00 0.00 175.52 173.23 3fjo n TYR 353 N -4.93 0.00 0.30 3.16 4.02 0.31 -1.00 117.16 119.01 3fjo n TYR 353 Ca -0.08 0.00 0.04 0.00 -0.01 0.00 0.00 57.90 57.84 3fjo n TYR 353 Cb 0.26 -0.42 -0.05 0.00 -0.02 0.00 0.00 39.34 39.11 3fjo n TYR 353 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 3fjo n TYR 354 N -2.26 0.00 -5.21 -0.72 4.01 -0.43 -4.77 117.16 107.78 3fjo n TYR 354 Ca -0.13 0.00 -0.31 0.00 -0.16 0.00 0.00 57.90 57.30 3fjo n TYR 354 Cb 0.71 -0.04 -0.15 0.00 -0.31 0.00 0.00 39.34 39.54 3fjo n TYR 354 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 3fjo s LEU 355 N -2.66 2.21 -0.34 7.72 1.43 0.19 -1.45 118.68 125.79 3fjo s LEU 355 Ca 0.02 -0.41 -0.24 0.00 -1.03 0.00 0.00 54.13 52.46 3fjo s LEU 355 Cb 0.06 -1.39 0.01 0.00 0.03 0.00 0.00 46.19 44.89 3fjo s LEU 355 CO 0.34 0.31 0.82 -0.62 0.23 0.00 0.00 176.35 177.44 3fjo s ASP 356 N -0.57 6.64 0.00 2.29 -1.08 0.06 -4.45 116.67 119.56 3fjo s ASP 356 Ca 0.08 0.56 0.00 0.00 -0.52 0.00 0.00 52.55 52.67 3fjo s ASP 356 Cb -0.11 -2.42 0.00 0.00 -1.46 0.00 0.00 42.92 38.93 3fjo s ASP 356 CO 0.00 -0.71 0.64 2.30 0.52 0.00 0.00 175.17 177.92 3fjo n ILE 357 N 5.72 0.38 -0.04 4.11 -5.35 -1.26 -4.23 119.36 118.69 3fjo n ILE 357 Ca 0.04 -0.61 -0.03 0.00 -0.27 0.00 0.00 62.75 61.89 3fjo n ILE 357 Cb 0.48 0.90 -0.07 0.00 -1.74 0.00 0.00 39.64 39.21 3fjo n ILE 357 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 3fjo n THR 358 N -0.19 0.52 -2.14 7.28 -2.24 -1.26 -3.99 114.28 112.25 3fjo n THR 358 Ca 0.00 -0.36 -0.29 0.00 -2.27 0.00 0.00 64.05 61.12 3fjo n THR 358 Cb 0.16 -0.56 0.01 0.00 -2.10 0.00 0.00 70.33 67.84 3fjo n THR 358 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 3fjo s ASN 359 N -3.96 6.05 0.14 3.42 0.01 -1.26 -4.32 114.94 115.03 3fjo s ASN 359 Ca -0.04 1.16 -0.31 0.00 -0.71 0.00 0.00 52.86 52.95 3fjo s ASN 359 Cb 0.03 -2.24 -0.10 0.00 0.41 0.00 0.00 41.25 39.35 3fjo s ASN 359 CO 0.39 -0.88 1.67 -2.84 -1.51 0.00 0.00 177.10 173.93 3fjo s PRO 360 N -5.06 4.18 0.67 -0.60 0.02 -1.26 -4.46 135.00 128.49 3fjo s PRO 360 Ca 0.53 2.45 -0.17 0.00 0.02 0.00 0.00 61.00 63.83 3fjo s PRO 360 Cb -0.11 -3.32 0.01 0.00 0.02 0.00 0.00 34.50 31.10 3fjo s PRO 360 CO 0.50 -0.71 1.22 -2.14 -0.33 0.00 0.00 177.00 175.55 3fjo s PRO 361 N 1.78 2.47 0.79 5.54 0.02 -1.26 -5.02 135.00 139.33 3fjo s PRO 361 Ca 0.74 1.83 -0.10 0.00 0.02 0.00 0.00 61.00 63.48 3fjo s PRO 361 Cb -0.44 -1.87 0.09 0.00 0.02 0.00 0.00 34.50 32.30 3fjo s PRO 361 CO 0.32 -1.60 1.14 1.03 -0.33 0.00 0.00 177.00 177.56 3fjo s ARG 362 N -3.65 1.83 0.19 5.54 0.52 -1.26 -4.90 118.95 117.22 3fjo s ARG 362 Ca 0.77 -0.14 -0.17 0.00 -0.52 0.00 0.00 55.73 55.67 3fjo s ARG 362 Cb -0.31 -2.02 0.15 0.00 0.52 0.00 0.00 34.95 33.29 3fjo s ARG 362 CO 0.41 -1.59 1.63 1.15 0.02 0.00 0.00 175.30 176.92 3fjo h THR 363 N -0.97 0.42 0.00 0.02 2.02 -1.93 -2.52 112.91 109.95 3fjo h THR 363 Ca -0.45 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 66.68 3fjo h THR 363 Cb 1.31 0.42 -0.01 0.00 -1.74 0.00 0.00 68.15 68.13 3fjo h THR 363 CO 0.59 0.00 -0.26 -0.55 0.37 0.00 0.00 175.52 175.67 3fjo h ASN 364 N -0.05 0.00 1.09 4.18 7.08 -1.94 -0.61 115.58 125.33 3fjo h ASN 364 Ca 0.24 0.00 -0.19 0.00 -3.08 0.00 0.00 56.30 53.27 3fjo h ASN 364 Cb 0.42 0.00 -0.03 0.00 -2.08 0.00 0.00 38.32 36.64 3fjo h ASN 364 CO -0.55 0.26 -0.91 -0.37 -2.08 0.00 0.00 177.43 173.79 3fjo h VAL 365 N 0.00 1.56 -0.11 6.14 -1.51 -1.80 -2.08 116.25 118.44 3fjo h VAL 365 Ca -0.00 -3.20 -0.03 0.00 -1.23 0.00 0.00 66.70 62.24 3fjo h VAL 365 Cb 0.53 2.77 -0.00 0.00 -2.13 0.00 0.00 31.29 32.46 3fjo h VAL 365 CO 0.03 0.89 -0.05 -0.07 -1.23 0.00 0.00 177.57 177.14 3fjo h LEU 366 N 0.00 0.23 -0.24 4.19 3.38 -1.11 -2.24 115.31 119.53 3fjo h LEU 366 Ca -0.01 -0.41 0.05 0.00 0.09 0.00 0.00 57.88 57.60 3fjo h LEU 366 Cb 1.70 -0.06 -0.08 0.00 0.09 0.00 0.00 40.66 42.31 3fjo h LEU 366 CO 0.12 0.59 -0.43 0.22 0.09 0.00 0.00 178.44 179.03 3fjo h TYR 367 N -0.12 -1.24 0.00 1.13 5.03 -1.11 -1.42 116.97 119.24 3fjo h TYR 367 Ca 0.02 0.06 -0.07 0.00 2.58 0.00 0.00 58.73 61.32 3fjo h TYR 367 Cb 0.50 0.58 -0.01 0.00 1.55 0.00 0.00 36.73 39.35 3fjo h TYR 367 CO 0.07 -0.46 -0.32 0.93 -1.32 0.00 0.00 178.16 177.05 3fjo h GLU 368 N -0.43 0.00 0.00 1.82 4.39 -1.43 -2.63 114.58 116.30 3fjo h GLU 368 Ca 0.10 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.79 3fjo h GLU 368 Cb 0.61 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.26 3fjo h GLU 368 CO -0.47 0.32 -0.02 -0.07 -1.16 0.00 0.00 179.01 177.61 3fjo h LEU 369 N 0.00 0.00 -1.79 1.33 3.38 -0.99 -3.37 115.31 113.86 3fjo h LEU 369 Ca -0.00 0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.04 3fjo h LEU 369 Cb 0.64 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.37 3fjo h LEU 369 CO 0.04 0.02 0.28 0.00 0.09 0.00 0.00 178.44 178.88 3fjo h ALA 370 N 1.98 2.07 0.00 1.53 0.00 -0.87 0.13 119.26 124.09 3fjo h ALA 370 Ca -0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 3fjo h ALA 370 Cb 1.00 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.74 3fjo h ALA 370 CO 0.00 -0.16 -0.06 -0.56 0.00 0.00 0.00 179.25 178.48 3fjo h GLN 371 N 0.25 0.00 -0.21 0.00 3.07 -1.76 -2.89 115.11 113.56 3fjo h GLN 371 Ca 0.19 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.93 3fjo h GLN 371 Cb 0.42 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.98 3fjo h GLN 371 CO -0.04 0.06 0.00 0.66 0.09 0.00 0.00 178.83 179.60 3fjo n TYR 372 N -4.11 0.28 -3.14 0.06 4.01 0.03 -4.70 117.16 109.60 3fjo n TYR 372 Ca -0.03 -0.14 -0.44 0.00 -0.16 0.00 0.00 57.90 57.13 3fjo n TYR 372 Cb 0.14 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 39.12 3fjo n TYR 372 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3fjo s ALA 373 N -1.72 3.41 0.27 -0.72 0.00 -1.09 -1.36 121.76 120.56 3fjo s ALA 373 Ca 0.24 -2.09 0.01 0.00 0.00 0.00 0.00 51.96 50.11 3fjo s ALA 373 Cb 0.12 -3.46 0.38 0.00 0.00 0.00 0.00 23.12 20.17 3fjo s ALA 373 CO 0.18 -2.23 1.73 0.66 0.00 0.00 0.00 175.76 176.09 3fjo h SER 374 N 9.11 0.57 -2.77 0.00 4.64 -1.62 -3.40 113.55 120.08 3fjo h SER 374 Ca -0.29 -0.18 -0.56 0.00 -0.47 0.00 0.00 61.79 60.29 3fjo h SER 374 Cb 1.09 -0.15 -0.03 0.00 -0.31 0.00 0.00 62.40 63.00 3fjo h SER 374 CO 1.06 0.77 1.09 -0.70 -0.87 0.00 0.00 176.83 178.17 3fjo s GLU 375 N -4.62 3.92 0.26 4.77 2.56 -1.26 -4.91 118.70 119.43 3fjo s GLU 375 Ca -0.08 1.74 -0.02 0.00 0.00 0.00 0.00 54.97 56.61 3fjo s GLU 375 Cb 0.14 -3.99 0.43 0.00 2.00 0.00 0.00 34.13 32.71 3fjo s GLU 375 CO 0.80 -1.14 1.86 -1.00 -0.56 0.00 0.00 175.26 175.22 3fjo h PRO 376 N 10.15 1.03 0.00 4.30 0.13 -2.00 -1.68 132.00 143.93 3fjo h PRO 376 Ca -0.33 -0.06 -0.08 0.00 -0.87 0.00 0.00 66.00 64.66 3fjo h PRO 376 Cb 1.15 -0.23 -0.01 0.00 0.13 0.00 0.00 31.00 32.04 3fjo h PRO 376 CO 0.99 0.68 -0.37 0.66 -0.23 0.00 0.00 178.00 179.73 3fjo h SER 377 N 1.06 0.00 -0.12 1.44 4.64 -1.93 -0.13 113.55 118.51 3fjo h SER 377 Ca 0.44 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.58 3fjo h SER 377 Cb 0.27 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.36 3fjo h SER 377 CO -0.20 0.37 -0.57 -0.33 -0.87 0.00 0.00 176.83 175.22 3fjo h GLU 378 N 0.00 0.72 -0.01 4.77 5.08 -1.69 -2.46 114.58 120.98 3fjo h GLU 378 Ca -0.00 -0.47 -0.07 0.00 -1.00 0.00 0.00 59.36 57.82 3fjo h GLU 378 Cb 0.76 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.06 3fjo h GLU 378 CO 0.05 1.09 -0.32 0.37 -1.00 0.00 0.00 179.01 179.20 3fjo h GLN 379 N 0.54 0.02 -0.09 2.33 4.15 -0.79 -2.83 115.11 118.45 3fjo h GLN 379 Ca 0.01 -0.01 -0.06 0.00 0.77 0.00 0.00 58.65 59.35 3fjo h GLN 379 Cb 1.15 -0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.84 3fjo h GLN 379 CO 0.12 0.34 -0.19 1.49 -1.93 0.00 0.00 178.83 178.66 3fjo h GLU 380 N 0.02 0.28 -0.68 1.69 4.22 -0.96 -2.86 114.58 116.30 3fjo h GLU 380 Ca 0.00 -0.19 0.11 0.00 0.08 0.00 0.00 59.36 59.36 3fjo h GLU 380 Cb 0.58 0.03 -0.12 0.00 0.50 0.00 0.00 28.75 29.74 3fjo h GLU 380 CO 0.04 0.79 -0.40 -0.07 -2.18 0.00 0.00 179.01 177.19 3fjo h LEU 381 N -0.19 -1.40 -0.39 1.64 -0.00 -1.36 -1.04 115.31 112.58 3fjo h LEU 381 Ca -0.00 0.26 -0.14 0.00 -0.00 0.00 0.00 57.88 57.99 3fjo h LEU 381 Cb 0.79 0.67 -0.01 0.00 -0.00 0.00 0.00 40.66 42.11 3fjo h LEU 381 CO 0.04 -0.31 -0.31 -0.07 -0.00 0.00 0.00 178.44 177.79 3fjo h LEU 382 N -0.15 0.95 -0.77 1.67 3.38 -1.50 0.17 115.31 119.05 3fjo h LEU 382 Ca 0.23 -0.45 -0.10 0.00 0.09 0.00 0.00 57.88 57.65 3fjo h LEU 382 Cb 0.56 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 3fjo h LEU 382 CO -0.75 1.19 -0.16 0.03 0.09 0.00 0.00 178.44 178.84 3fjo h ARG 383 N 0.71 0.76 -0.26 1.13 3.08 -1.43 0.14 114.38 118.51 3fjo h ARG 383 Ca 0.07 -0.27 -0.03 0.00 0.07 0.00 0.00 59.98 59.82 3fjo h ARG 383 Cb 0.90 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.88 3fjo h ARG 383 CO 0.08 0.87 0.04 -0.22 -1.07 0.00 0.00 179.97 179.67 3fjo h LYS 384 N 0.68 0.44 0.00 0.04 3.64 -0.61 -1.63 116.57 119.12 3fjo h LYS 384 Ca 0.11 -0.12 -0.06 0.00 -1.27 0.00 0.00 60.65 59.31 3fjo h LYS 384 Cb 0.64 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.41 3fjo h LYS 384 CO 0.05 0.56 -0.28 0.52 -2.27 0.00 0.00 179.45 178.03 3fjo h MET 385 N 0.24 0.00 0.00 1.90 2.86 -0.46 -1.18 114.93 118.29 3fjo h MET 385 Ca 0.08 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.72 3fjo h MET 385 Cb 0.34 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.00 3fjo h MET 385 CO 0.01 0.28 0.00 0.00 1.06 0.00 0.00 176.91 178.25 3fjo n ALA 386 N -2.35 2.20 -1.41 6.32 0.00 0.47 -4.64 120.51 121.11 3fjo n ALA 386 Ca -0.01 -0.09 -0.29 0.00 0.00 0.00 0.00 53.44 53.05 3fjo n ALA 386 Cb 0.38 -1.42 0.15 0.00 0.00 0.00 0.00 19.45 18.55 3fjo n ALA 386 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3fjo s SER 387 N -2.97 3.28 0.00 0.00 0.01 -0.45 -4.87 113.70 108.71 3fjo s SER 387 Ca 0.13 1.08 0.27 0.00 1.31 0.00 0.00 55.95 58.74 3fjo s SER 387 Cb 0.17 -1.70 0.85 0.00 0.21 0.00 0.00 66.02 65.55 3fjo s SER 387 CO 0.47 -2.71 1.63 -0.24 0.41 0.00 0.00 173.24 172.80 3fjo n SER 388 N -3.88 1.29 -4.76 2.44 2.88 -1.26 -4.35 113.62 105.97 3fjo n SER 388 Ca 0.06 -1.19 -0.40 0.00 -1.33 0.00 0.00 58.87 56.01 3fjo n SER 388 Cb 0.58 0.08 0.01 0.00 -0.75 0.00 0.00 64.21 64.13 3fjo n SER 388 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 3fjo n SER 389 N -0.24 3.45 -0.21 -3.46 7.64 -1.26 -4.82 113.62 114.71 3fjo n SER 389 Ca 0.15 1.16 0.01 0.00 1.01 0.00 0.00 58.87 61.20 3fjo n SER 389 Cb 0.36 -1.60 0.12 0.00 -1.01 0.00 0.00 64.21 62.08 3fjo n SER 389 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 3fjo h GLY 390 N 2.51 0.88 0.96 0.23 0.00 -1.98 0.27 103.07 105.94 3fjo h GLY 390 Ca -0.51 -0.11 -0.01 0.00 0.00 0.00 0.00 47.33 46.71 3fjo h GLY 390 CO 0.62 -0.05 0.20 -2.09 0.00 0.00 0.00 176.54 175.22 3fjo h GLU 391 N 0.39 0.53 -0.24 4.80 4.81 -1.96 -2.41 114.58 120.49 3fjo h GLU 391 Ca 0.32 -0.07 -0.06 0.00 -0.13 0.00 0.00 59.36 59.43 3fjo h GLU 391 Cb 0.43 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.70 3fjo h GLU 391 CO -0.34 0.44 -0.10 0.78 -0.73 0.00 0.00 179.01 179.07 3fjo h GLY 392 N 0.48 0.52 1.26 1.92 0.00 -1.63 -2.01 103.07 103.61 3fjo h GLY 392 Ca 0.13 -0.46 0.07 0.00 0.00 0.00 0.00 47.33 47.08 3fjo h GLY 392 CO -0.02 0.42 0.32 0.50 0.00 0.00 0.00 176.54 177.76 3fjo h LYS 393 N 0.20 0.33 0.14 4.80 1.57 -0.44 -1.15 116.57 122.02 3fjo h LYS 393 Ca 0.05 -0.02 -0.31 0.00 -1.87 0.00 0.00 60.65 58.51 3fjo h LYS 393 Cb 0.59 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.82 3fjo h LYS 393 CO 0.03 0.22 -1.50 1.49 -0.57 0.00 0.00 179.45 179.11 3fjo h GLU 394 N 0.34 0.29 -0.53 3.15 4.57 -1.31 -1.72 114.58 119.36 3fjo h GLU 394 Ca 0.21 -0.49 -0.07 0.00 -1.18 0.00 0.00 59.36 57.83 3fjo h GLU 394 Cb 0.41 0.18 -0.02 0.00 -0.16 0.00 0.00 28.75 29.16 3fjo h GLU 394 CO -0.05 1.17 0.03 1.25 -1.18 0.00 0.00 179.01 180.24 3fjo h LEU 395 N 0.08 0.83 0.12 1.64 5.85 -1.05 -2.88 115.31 119.90 3fjo h LEU 395 Ca -0.24 -0.20 -0.01 0.00 0.84 0.00 0.00 57.88 58.28 3fjo h LEU 395 Cb 2.03 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 42.84 3fjo h LEU 395 CO 0.18 0.88 -0.06 0.22 -0.34 0.00 0.00 178.44 179.32 3fjo h TYR 396 N 0.81 -0.15 -1.00 1.25 3.20 -1.20 -0.66 116.97 119.23 3fjo h TYR 396 Ca 0.16 -0.00 0.08 0.00 3.14 0.00 0.00 58.73 62.11 3fjo h TYR 396 Cb 0.44 0.05 -0.07 0.00 1.54 0.00 0.00 36.73 38.69 3fjo h TYR 396 CO 0.03 -0.02 0.64 -0.07 -1.64 0.00 0.00 178.16 177.10 3fjo h LEU 397 N -0.25 1.00 0.15 2.82 3.38 -1.23 0.11 115.31 121.28 3fjo h LEU 397 Ca -0.02 0.02 -0.35 0.00 0.09 0.00 0.00 57.88 57.62 3fjo h LEU 397 Cb 0.20 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.76 3fjo h LEU 397 CO 0.03 0.61 -1.83 0.77 0.09 0.00 0.00 178.44 178.11 3fjo h SER 398 N 1.11 0.49 0.12 -0.43 4.64 -1.50 0.98 113.55 118.95 3fjo h SER 398 Ca 0.45 -0.93 -0.19 0.00 -0.47 0.00 0.00 61.79 60.65 3fjo h SER 398 Cb 0.27 -0.16 0.01 0.00 -0.31 0.00 0.00 62.40 62.21 3fjo h SER 398 CO -0.20 1.80 -0.86 -0.25 -0.87 0.00 0.00 176.83 176.45 3fjo h TRP 399 N 0.02 0.45 0.00 4.77 7.01 -1.05 -2.21 115.95 124.95 3fjo h TRP 399 Ca -0.38 -0.33 0.00 0.00 2.11 0.00 0.00 58.89 60.29 3fjo h TRP 399 Cb 2.02 -0.02 0.00 0.00 -2.10 0.00 0.00 29.16 29.06 3fjo h TRP 399 CO 0.09 1.33 -0.24 0.28 -2.79 0.00 0.00 178.44 177.11 3fjo h VAL 400 N -0.45 0.00 0.18 2.65 2.07 -0.96 -3.36 116.25 116.38 3fjo h VAL 400 Ca -0.17 -0.74 -0.01 0.00 0.82 0.00 0.00 66.70 66.61 3fjo h VAL 400 Cb 1.59 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.36 3fjo h VAL 400 CO 0.11 0.00 -0.08 0.58 0.02 0.00 0.00 177.57 178.19 3fjo h VAL 401 N -0.74 0.83 -0.11 2.57 2.07 -1.31 -0.40 116.25 119.16 3fjo h VAL 401 Ca 0.00 -1.07 -0.14 0.00 0.82 0.00 0.00 66.70 66.31 3fjo h VAL 401 Cb 0.24 1.38 -0.01 0.00 -1.52 0.00 0.00 31.29 31.38 3fjo h VAL 401 CO 0.00 0.21 -0.54 -0.33 0.02 0.00 0.00 177.57 176.92 3fjo h GLU 402 N -0.84 0.32 0.00 1.57 4.39 0.92 -1.14 114.58 119.80 3fjo h GLU 402 Ca -0.02 -0.20 0.00 0.00 0.34 0.00 0.00 59.36 59.48 3fjo h GLU 402 Cb 0.52 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.19 3fjo h GLU 402 CO 0.04 0.78 0.00 0.00 -1.16 0.00 0.00 179.01 178.67 3fjo n ALA 403 N -2.48 2.32 -3.96 3.43 0.00 -0.83 -4.71 120.51 114.28 3fjo n ALA 403 Ca -0.02 -0.13 -0.27 0.00 0.00 0.00 0.00 53.44 53.02 3fjo n ALA 403 Cb 0.58 -1.41 -0.01 0.00 0.00 0.00 0.00 19.45 18.61 3fjo n ALA 403 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3fjo n ARG 404 N -1.23 -3.75 -2.44 0.00 5.12 -0.43 -4.59 116.66 109.34 3fjo n ARG 404 Ca 0.13 0.45 -0.43 0.00 -1.93 0.00 0.00 57.85 56.08 3fjo n ARG 404 Cb 0.18 -4.82 -0.02 0.00 -1.16 0.00 0.00 32.46 26.64 3fjo n ARG 404 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 3fjo s ARG 405 N -6.54 3.71 0.76 5.56 0.52 -0.20 -4.82 118.95 117.94 3fjo s ARG 405 Ca 0.19 0.92 -0.12 0.00 -0.52 0.00 0.00 55.73 56.21 3fjo s ARG 405 Cb -0.10 -3.95 0.05 0.00 0.52 0.00 0.00 34.95 31.46 3fjo s ARG 405 CO 0.88 -1.40 1.12 -3.38 0.02 0.00 0.00 175.30 172.54 3fjo s HIS 406 N 4.89 3.07 0.27 -0.53 -3.43 -1.26 -4.09 115.29 114.21 3fjo s HIS 406 Ca 0.56 1.00 -0.02 0.00 -0.80 0.00 0.00 55.06 55.81 3fjo s HIS 406 Cb -0.13 -3.19 0.58 0.00 -1.43 0.00 0.00 32.58 28.42 3fjo s HIS 406 CO 0.30 -1.53 1.65 0.97 -2.00 0.00 0.00 174.74 174.13 3fjo h ILE 407 N -0.90 0.36 -0.38 -5.38 6.09 -1.78 0.04 117.51 115.56 3fjo h ILE 407 Ca -0.46 -0.07 0.04 0.00 -1.37 0.00 0.00 64.86 63.00 3fjo h ILE 407 Cb 1.28 0.15 -0.04 0.00 0.47 0.00 0.00 36.82 38.68 3fjo h ILE 407 CO 0.63 0.04 0.16 0.25 -3.07 0.00 0.00 178.15 176.15 3fjo h LEU 408 N 0.19 0.20 -1.39 2.19 5.85 -1.94 -0.18 115.31 120.24 3fjo h LEU 408 Ca 0.49 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 59.23 3fjo h LEU 408 Cb 0.92 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.92 3fjo h LEU 408 CO -0.63 0.15 0.31 0.00 -0.34 0.00 0.00 178.44 177.94 3fjo h ALA 409 N 1.22 1.54 -0.24 1.25 0.00 -1.38 0.16 119.26 121.81 3fjo h ALA 409 Ca 0.17 -0.07 -0.18 0.00 0.00 0.00 0.00 54.91 54.82 3fjo h ALA 409 Cb 0.12 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 3fjo h ALA 409 CO -0.15 0.40 -0.58 0.82 0.00 0.00 0.00 179.25 179.73 3fjo h ILE 410 N 0.74 1.29 -0.25 0.00 2.04 -0.74 -2.06 117.51 118.52 3fjo h ILE 410 Ca 0.19 -1.79 -0.03 0.00 1.00 0.00 0.00 64.86 64.23 3fjo h ILE 410 Cb -0.01 1.73 -0.01 0.00 -0.74 0.00 0.00 36.82 37.79 3fjo h ILE 410 CO -0.03 0.57 0.04 -0.07 0.00 0.00 0.00 178.15 178.65 3fjo h LEU 411 N 0.58 0.41 -0.78 1.44 3.38 -0.24 -0.70 115.31 119.40 3fjo h LEU 411 Ca 0.00 -0.27 -0.04 0.00 0.09 0.00 0.00 57.88 57.67 3fjo h LEU 411 Cb 1.18 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.78 3fjo h LEU 411 CO 0.12 0.57 0.34 1.56 0.09 0.00 0.00 178.44 181.13 3fjo h GLN 412 N 0.23 1.14 0.00 1.13 4.20 -0.69 -3.00 115.11 118.12 3fjo h GLN 412 Ca 0.08 -0.19 0.00 0.00 0.06 0.00 0.00 58.65 58.60 3fjo h GLN 412 Cb 0.34 -0.20 0.00 0.00 0.30 0.00 0.00 27.48 27.93 3fjo h GLN 412 CO 0.01 0.91 -0.54 -0.44 -0.67 0.00 0.00 178.83 178.09 3fjo h ASP 413 N 1.11 0.00 -2.87 1.46 3.32 -1.37 -3.33 116.42 114.74 3fjo h ASP 413 Ca 0.26 -0.08 -0.66 0.00 0.02 0.00 0.00 57.03 56.58 3fjo h ASP 413 Cb 0.17 0.00 -0.39 0.00 0.22 0.00 0.00 39.33 39.33 3fjo h ASP 413 CO -0.03 0.04 -0.31 0.00 -1.72 0.00 0.00 179.24 177.22 3fjo h PRO 415 N 5.20 0.00 -0.01 0.00 0.13 -1.66 -0.34 132.00 135.33 3fjo h PRO 415 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 3fjo h PRO 415 Cb 0.73 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.86 3fjo h PRO 415 CO 0.85 0.00 -0.27 0.43 -0.23 0.00 0.00 178.00 178.78 3fjo n SER 416 N -2.70 0.97 -4.55 1.44 7.64 -1.26 -4.72 113.62 110.44 3fjo n SER 416 Ca -0.02 -0.83 -0.42 0.00 1.01 0.00 0.00 58.87 58.60 3fjo n SER 416 Cb 0.06 0.14 -0.03 0.00 -1.01 0.00 0.00 64.21 63.37 3fjo n SER 416 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 3fjo s LEU 417 N -2.54 3.57 -0.49 -3.43 1.98 -0.14 -1.74 118.68 115.89 3fjo s LEU 417 Ca 0.23 -0.20 0.03 0.00 -2.89 0.00 0.00 54.13 51.31 3fjo s LEU 417 Cb 0.19 -2.90 0.16 0.00 0.66 0.00 0.00 46.19 44.30 3fjo s LEU 417 CO 0.53 -1.52 0.34 -0.13 -1.89 0.00 0.00 176.35 173.68 3fjo s ARG 418 N 4.89 1.39 0.74 1.98 1.81 -0.46 -4.90 118.95 124.41 3fjo s ARG 418 Ca 0.37 -2.33 -0.09 0.00 -1.72 0.00 0.00 55.73 51.96 3fjo s ARG 418 Cb -0.09 -2.20 0.06 0.00 -0.45 0.00 0.00 34.95 32.27 3fjo s ARG 418 CO 0.21 -1.28 1.08 -1.25 -0.68 0.00 0.00 175.30 173.38 3fjo s PRO 419 N -0.16 2.16 0.05 3.54 0.05 -1.26 -4.89 135.00 134.49 3fjo s PRO 419 Ca 0.25 -0.06 -0.27 0.00 0.05 0.00 0.00 61.00 60.97 3fjo s PRO 419 Cb -0.09 -2.08 -0.05 0.00 0.05 0.00 0.00 34.50 32.34 3fjo s PRO 419 CO -0.11 -1.36 0.86 -1.25 0.05 0.00 0.00 177.00 175.19 3fjo s PRO 420 N -5.38 4.57 0.30 0.56 0.04 -1.26 -4.91 135.00 128.92 3fjo s PRO 420 Ca 0.61 1.23 0.06 0.00 0.04 0.00 0.00 61.00 62.94 3fjo s PRO 420 Cb -0.11 -3.39 0.82 0.00 0.04 0.00 0.00 34.50 31.86 3fjo s PRO 420 CO 0.47 0.18 1.67 0.97 0.04 0.00 0.00 177.00 180.33 3fjo h ILE 421 N 4.29 0.38 -0.10 0.56 6.09 -1.97 -1.11 117.51 125.64 3fjo h ILE 421 Ca -0.43 -0.11 -0.08 0.00 -1.37 0.00 0.00 64.86 62.88 3fjo h ILE 421 Cb 1.21 0.03 -0.01 0.00 0.47 0.00 0.00 36.82 38.51 3fjo h ILE 421 CO 0.72 0.06 -0.29 -2.24 -3.07 0.00 0.00 178.15 173.33 3fjo h ASP 422 N 0.32 0.18 -0.15 2.19 3.04 -1.99 -0.14 116.42 119.87 3fjo h ASP 422 Ca 0.60 -0.06 -0.18 0.00 -3.24 0.00 0.00 57.03 54.15 3fjo h ASP 422 Cb 1.24 -0.05 -0.00 0.00 -1.04 0.00 0.00 39.33 39.48 3fjo h ASP 422 CO -0.59 0.48 -0.59 -0.74 -2.04 0.00 0.00 179.24 175.76 3fjo h HIS 423 N 0.17 0.95 0.30 4.15 2.76 -1.62 -3.02 115.15 118.84 3fjo h HIS 423 Ca 0.02 -0.35 -0.01 0.00 -2.20 0.00 0.00 60.37 57.83 3fjo h HIS 423 Cb 0.60 -0.17 0.00 0.00 1.55 0.00 0.00 27.41 29.39 3fjo h HIS 423 CO 0.01 1.15 -0.15 1.25 -1.30 0.00 0.00 177.93 178.89 3fjo h LEU 424 N 0.56 -0.34 -1.84 0.26 5.85 -1.08 -2.71 115.31 116.00 3fjo h LEU 424 Ca 0.00 -0.05 0.16 0.00 0.84 0.00 0.00 57.88 58.83 3fjo h LEU 424 Cb 1.18 0.09 -0.03 0.00 0.37 0.00 0.00 40.66 42.26 3fjo h LEU 424 CO 0.12 -0.18 0.44 0.00 -0.34 0.00 0.00 178.44 178.48 3fjo h GLU 426 N 0.16 0.49 0.00 0.00 4.81 -1.35 -3.34 114.58 115.34 3fjo h GLU 426 Ca 0.30 -0.20 -0.26 0.00 -0.13 0.00 0.00 59.36 59.08 3fjo h GLU 426 Cb 0.98 -0.02 -0.04 0.00 0.63 0.00 0.00 28.75 30.29 3fjo h GLU 426 CO -0.04 0.73 -1.70 1.28 -0.73 0.00 0.00 179.01 178.54 3fjo n LEU 427 N -4.10 0.75 -4.77 1.64 4.77 0.58 -4.93 117.00 110.95 3fjo n LEU 427 Ca -0.01 0.35 -0.39 0.00 -0.03 0.00 0.00 56.01 55.94 3fjo n LEU 427 Cb 0.43 0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.69 3fjo n LEU 427 CO 0.42 0.32 0.94 -0.76 -1.33 0.00 0.00 177.39 176.98 3fjo s LEU 428 N -5.89 4.11 0.83 2.23 1.02 -0.51 -4.88 118.68 115.59 3fjo s LEU 428 Ca -0.05 2.60 -0.12 0.00 0.02 0.00 0.00 54.13 56.59 3fjo s LEU 428 Cb 0.08 -4.03 0.09 0.00 0.02 0.00 0.00 46.19 42.35 3fjo s LEU 428 CO 0.82 -0.98 1.10 -2.16 0.02 0.00 0.00 176.35 175.15 3fjo s PRO 429 N -2.45 1.82 0.34 1.29 0.04 -1.26 -4.82 135.00 129.96 3fjo s PRO 429 Ca 0.61 0.58 -0.27 0.00 0.04 0.00 0.00 61.00 61.96 3fjo s PRO 429 Cb -0.36 -1.89 -0.09 0.00 0.04 0.00 0.00 34.50 32.19 3fjo s PRO 429 CO 0.46 -1.79 1.11 1.03 0.04 0.00 0.00 177.00 177.84 3fjo s ARG 430 N -5.16 4.38 -0.16 4.56 1.81 -1.26 -0.76 118.95 122.36 3fjo s ARG 430 Ca 0.62 1.75 -0.29 0.00 -1.72 0.00 0.00 55.73 56.09 3fjo s ARG 430 Cb -0.15 -2.91 -0.03 0.00 -0.45 0.00 0.00 34.95 31.41 3fjo s ARG 430 CO 0.54 -0.01 1.52 -1.17 -0.68 0.00 0.00 175.30 175.51 3fjo s LEU 431 N -1.99 4.09 0.41 2.53 2.96 -0.53 -4.38 118.68 121.78 3fjo s LEU 431 Ca 0.51 1.80 -0.07 0.00 -0.22 0.00 0.00 54.13 56.15 3fjo s LEU 431 Cb -0.29 -3.53 -0.05 0.00 0.50 0.00 0.00 46.19 42.81 3fjo s LEU 431 CO 0.38 -1.03 0.72 -1.10 -1.32 0.00 0.00 176.35 174.00 3fjo s GLN 432 N 4.17 3.64 0.69 1.98 -1.52 -1.26 -4.87 119.66 122.48 3fjo s GLN 432 Ca 0.67 0.22 -0.14 0.00 -1.95 0.00 0.00 55.36 54.16 3fjo s GLN 432 Cb -0.26 -2.45 0.01 0.00 -0.22 0.00 0.00 33.01 30.09 3fjo s GLN 432 CO 0.25 -0.04 1.11 0.00 -0.25 0.00 0.00 175.29 176.37 3fjo s ALA 433 N -2.46 2.40 -0.03 6.09 0.00 -1.26 -4.68 121.76 121.82 3fjo s ALA 433 Ca 0.47 0.52 0.07 0.00 0.00 0.00 0.00 51.96 53.02 3fjo s ALA 433 Cb -0.10 -3.32 -0.01 0.00 0.00 0.00 0.00 23.12 19.68 3fjo s ALA 433 CO 0.37 -1.42 -0.23 1.03 0.00 0.00 0.00 175.76 175.50 3fjo s ARG 434 N -4.24 2.05 0.02 0.00 0.52 0.18 -4.89 118.95 112.60 3fjo s ARG 434 Ca 0.66 -0.83 0.02 0.00 -0.52 0.00 0.00 55.73 55.06 3fjo s ARG 434 Cb -0.20 -1.89 -0.04 0.00 0.52 0.00 0.00 34.95 33.34 3fjo s ARG 434 CO 0.45 0.45 0.04 0.71 0.02 0.00 0.00 175.30 176.96 3fjo s TYR 435 N -0.39 3.15 -0.02 -0.53 1.51 -1.26 -1.05 117.35 118.76 3fjo s TYR 435 Ca 0.04 0.11 -0.02 0.00 -1.01 0.00 0.00 57.07 56.19 3fjo s TYR 435 Cb -0.10 -1.67 0.01 0.00 -0.11 0.00 0.00 41.96 40.08 3fjo s TYR 435 CO 0.01 0.50 0.06 0.71 -1.11 0.00 0.00 175.55 175.72 3fjo s TYR 436 N -1.20 -0.06 -0.46 2.71 2.02 -0.34 -4.97 117.35 115.06 3fjo s TYR 436 Ca 0.23 0.14 -0.29 0.00 -0.37 0.00 0.00 57.07 56.78 3fjo s TYR 436 Cb -0.12 0.02 0.02 0.00 -0.40 0.00 0.00 41.96 41.48 3fjo s TYR 436 CO 0.14 -0.04 1.23 -1.12 -1.57 0.00 0.00 175.55 174.19 3fjo s SER 437 N -0.03 6.53 0.06 2.29 0.01 -1.26 -0.25 113.70 121.05 3fjo s SER 437 Ca -0.01 0.58 -0.37 0.00 1.31 0.00 0.00 55.95 57.47 3fjo s SER 437 Cb -0.01 -2.55 -0.17 0.00 0.21 0.00 0.00 66.02 63.51 3fjo s SER 437 CO 0.00 -1.32 1.37 -0.38 0.41 0.00 0.00 173.24 173.32 3fjo n ILE 438 N 6.93 0.02 -1.45 1.44 5.41 -0.74 -4.39 119.36 126.58 3fjo n ILE 438 Ca 0.13 -0.00 -0.10 0.00 1.00 0.00 0.00 62.75 63.78 3fjo n ILE 438 Cb 0.49 -0.84 0.18 0.00 -0.71 0.00 0.00 39.64 38.76 3fjo n ILE 438 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3fjo n ALA 439 N 2.74 4.71 -2.57 -1.39 0.00 0.16 -4.23 120.51 119.92 3fjo n ALA 439 Ca 0.19 -3.16 -0.11 0.00 0.00 0.00 0.00 53.44 50.36 3fjo n ALA 439 Cb 0.18 -0.89 -0.11 0.00 0.00 0.00 0.00 19.45 18.63 3fjo n ALA 439 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3fjo s SER 440 N -2.35 0.79 -0.06 0.00 1.04 -1.26 -3.36 113.70 108.50 3fjo s SER 440 Ca 0.48 -0.74 -0.16 0.00 0.48 0.00 0.00 55.95 56.02 3fjo s SER 440 Cb 0.43 0.09 -0.05 0.00 0.10 0.00 0.00 66.02 66.58 3fjo s SER 440 CO 0.02 -0.35 0.42 -0.55 0.98 0.00 0.00 173.24 173.75 3fjo s SER 441 N -2.17 6.72 0.53 7.02 0.15 -1.26 -4.25 113.70 120.43 3fjo s SER 441 Ca -0.02 0.86 0.35 0.00 0.70 0.00 0.00 55.95 57.83 3fjo s SER 441 Cb -0.03 -2.26 1.67 0.00 -1.71 0.00 0.00 66.02 63.70 3fjo s SER 441 CO -0.03 0.18 2.05 0.77 1.20 0.00 0.00 173.24 177.41 3fjo h SER 442 N 5.66 0.00 1.36 5.45 4.64 -1.80 0.19 113.55 129.05 3fjo h SER 442 Ca -0.46 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 60.79 3fjo h SER 442 Cb 1.20 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.28 3fjo h SER 442 CO 0.68 0.00 -0.30 0.11 -0.87 0.00 0.00 176.83 176.45 3fjo h LYS 443 N 0.00 0.00 0.00 4.77 1.57 -1.93 -1.54 116.57 119.44 3fjo h LYS 443 Ca 0.00 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.73 3fjo h LYS 443 Cb 0.25 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.55 3fjo h LYS 443 CO 0.00 0.30 -1.63 1.33 -0.57 0.00 0.00 179.45 178.88 3fjo n VAL 444 N -3.26 0.18 -3.18 0.50 0.24 -1.03 -4.78 118.33 107.00 3fjo n VAL 444 Ca 0.02 -0.34 -0.23 0.00 -2.04 0.00 0.00 64.34 61.75 3fjo n VAL 444 Cb 0.57 0.01 -0.05 0.00 -1.47 0.00 0.00 33.84 32.91 3fjo n VAL 444 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 3fjo n HIS 445 N -2.05 1.55 -0.19 6.34 8.25 0.65 -4.95 115.22 124.81 3fjo n HIS 445 Ca -0.06 -3.85 0.01 0.00 -0.26 0.00 0.00 57.72 53.56 3fjo n HIS 445 Cb 0.45 -0.44 0.27 0.00 1.12 0.00 0.00 29.99 31.38 3fjo n HIS 445 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 3fjo h PRO 446 N 3.48 0.94 -0.41 -0.41 0.13 -1.47 -2.89 132.00 131.37 3fjo h PRO 446 Ca 0.12 -0.06 -0.06 0.00 -0.87 0.00 0.00 66.00 65.13 3fjo h PRO 446 Cb 0.78 -0.21 -0.04 0.00 0.13 0.00 0.00 31.00 31.66 3fjo h PRO 446 CO 0.62 0.62 0.04 0.09 -0.23 0.00 0.00 178.00 179.15 3fjo n ASN 447 N -4.43 4.16 -3.77 1.44 4.13 -1.26 -4.90 115.26 110.63 3fjo n ASN 447 Ca 0.08 -3.14 -0.13 0.00 1.68 0.00 0.00 54.58 53.06 3fjo n ASN 447 Cb 0.03 -0.62 -0.14 0.00 -1.54 0.00 0.00 39.78 37.52 3fjo n ASN 447 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 3fjo s SER 448 N -1.69 -0.10 -0.20 6.41 0.15 -1.09 -1.46 113.70 115.73 3fjo s SER 448 Ca 0.47 0.27 -0.02 0.00 0.70 0.00 0.00 55.95 57.37 3fjo s SER 448 Cb 0.38 0.19 -0.00 0.00 -1.71 0.00 0.00 66.02 64.88 3fjo s SER 448 CO 0.10 -0.12 -0.10 -0.69 1.20 0.00 0.00 173.24 173.63 3fjo s VAL 449 N 0.91 2.99 -0.08 4.45 1.01 -0.09 -4.78 120.40 124.81 3fjo s VAL 449 Ca -0.07 -0.63 -0.05 0.00 0.00 0.00 0.00 61.98 61.22 3fjo s VAL 449 Cb -0.09 -2.32 -0.04 0.00 0.00 0.00 0.00 36.38 33.93 3fjo s VAL 449 CO -0.04 0.47 0.15 -1.00 0.00 0.00 0.00 175.10 174.67 3fjo s HIS 450 N 1.27 3.57 -0.03 5.22 3.76 -1.26 -0.77 115.29 127.05 3fjo s HIS 450 Ca 0.03 0.46 0.06 0.00 -0.15 0.00 0.00 55.06 55.47 3fjo s HIS 450 Cb -0.14 -1.90 -0.01 0.00 1.11 0.00 0.00 32.58 31.64 3fjo s HIS 450 CO -0.05 0.70 -0.21 0.42 -0.85 0.00 0.00 174.74 174.76 3fjo s ILE 451 N -1.12 1.69 -0.17 0.60 1.01 -0.28 0.35 121.20 123.28 3fjo s ILE 451 Ca 0.19 -0.89 0.01 0.00 0.00 0.00 0.00 60.65 59.95 3fjo s ILE 451 Cb -0.12 -1.42 0.03 0.00 0.01 0.00 0.00 42.46 40.96 3fjo s ILE 451 CO 0.09 0.48 -0.14 0.00 0.00 0.00 0.00 174.94 175.37 3fjo s ALA 453 N 1.44 -0.75 -0.10 0.00 0.00 -0.70 -4.87 121.76 116.78 3fjo s ALA 453 Ca 0.03 0.45 -0.16 0.00 0.00 0.00 0.00 51.96 52.27 3fjo s ALA 453 Cb -0.14 -0.08 -0.05 0.00 0.00 0.00 0.00 23.12 22.85 3fjo s ALA 453 CO -0.10 -0.23 0.42 0.54 0.00 0.00 0.00 175.76 176.39 3fjo s VAL 454 N -0.94 5.17 0.12 0.00 0.11 -1.26 -0.28 120.40 123.33 3fjo s VAL 454 Ca -0.10 0.84 -0.31 0.00 -2.93 0.00 0.00 61.98 59.48 3fjo s VAL 454 Cb -0.05 -3.75 -0.07 0.00 -1.53 0.00 0.00 36.38 30.98 3fjo s VAL 454 CO 0.03 0.40 1.26 0.54 -3.33 0.00 0.00 175.10 174.00 3fjo s VAL 455 N 0.19 3.63 -0.38 2.04 0.11 0.84 -4.96 120.40 121.87 3fjo s VAL 455 Ca 0.23 1.23 -0.21 0.00 -2.93 0.00 0.00 61.98 60.30 3fjo s VAL 455 Cb -0.15 -3.79 0.01 0.00 -1.53 0.00 0.00 36.38 30.92 3fjo s VAL 455 CO 0.10 0.13 0.69 -0.69 -3.33 0.00 0.00 175.10 172.00 3fjo s VAL 456 N 0.71 4.82 -0.27 2.04 1.01 -1.26 -4.71 120.40 122.73 3fjo s VAL 456 Ca 0.59 0.59 -0.03 0.00 0.00 0.00 0.00 61.98 63.13 3fjo s VAL 456 Cb -0.33 -4.15 0.15 0.00 0.00 0.00 0.00 36.38 32.05 3fjo s VAL 456 CO 0.32 -0.42 0.52 -0.70 0.00 0.00 0.00 175.10 174.82 3fjo s GLU 457 N 2.89 0.47 0.02 2.72 2.12 -1.26 -0.28 118.70 125.37 3fjo s GLU 457 Ca 0.27 0.92 -0.20 0.00 0.36 0.00 0.00 54.97 56.32 3fjo s GLU 457 Cb -0.14 0.25 0.04 0.00 0.26 0.00 0.00 34.13 34.54 3fjo s GLU 457 CO 0.17 -0.53 0.45 1.52 -0.54 0.00 0.00 175.26 176.32 3fjo s TYR 458 N 2.74 -0.33 0.16 5.30 1.13 -0.91 -5.00 117.35 120.43 3fjo s TYR 458 Ca 0.12 0.41 -0.21 0.00 -1.41 0.00 0.00 57.07 55.98 3fjo s TYR 458 Cb -0.14 0.24 -0.08 0.00 -1.10 0.00 0.00 41.96 40.88 3fjo s TYR 458 CO -0.18 -0.55 0.69 -2.00 -2.51 0.00 0.00 175.55 171.00 3fjo s GLU 459 N -2.02 4.31 0.57 -3.49 2.12 -1.26 -0.62 118.70 118.32 3fjo s GLU 459 Ca -0.08 0.89 0.00 0.00 0.36 0.00 0.00 54.97 56.14 3fjo s GLU 459 Cb -0.02 -3.08 0.04 0.00 0.26 0.00 0.00 34.13 31.33 3fjo s GLU 459 CO 0.01 0.51 0.81 0.95 -0.54 0.00 0.00 175.26 177.00 3fjo s THR 460 N -1.31 2.63 0.31 -1.70 -4.23 0.70 -4.94 115.64 107.10 3fjo s THR 460 Ca 0.37 -0.60 0.03 0.00 -1.18 0.00 0.00 61.69 60.31 3fjo s THR 460 Cb -0.19 -3.01 0.29 0.00 1.34 0.00 0.00 72.50 70.93 3fjo s THR 460 CO 0.22 -0.01 1.86 0.11 -0.54 0.00 0.00 174.62 176.27 3fjo h LYS 461 N -0.03 0.90 -0.94 3.99 1.57 -1.84 -2.05 116.57 118.18 3fjo h LYS 461 Ca -0.42 -0.05 -0.07 0.00 -1.87 0.00 0.00 60.65 58.23 3fjo h LYS 461 Cb 1.30 -0.20 -0.04 0.00 0.08 0.00 0.00 32.23 33.37 3fjo h LYS 461 CO 0.53 0.60 0.09 0.00 -0.57 0.00 0.00 179.45 180.10 3fjo n ALA 462 N -2.38 3.10 -0.57 3.86 0.00 -1.26 -4.88 120.51 118.38 3fjo n ALA 462 Ca 0.17 -0.65 0.00 0.00 0.00 0.00 0.00 53.44 52.96 3fjo n ALA 462 Cb 0.34 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 18.72 3fjo n ALA 462 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fjo n GLY 463 N 0.11 0.82 3.82 0.00 0.00 -0.77 -4.99 105.19 104.20 3fjo n GLY 463 Ca 0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.81 3fjo n GLY 463 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3fjo s ARG 464 N -0.34 3.70 -0.30 1.61 0.52 -1.26 -4.77 118.95 118.10 3fjo s ARG 464 Ca 0.00 1.07 -0.11 0.00 -0.52 0.00 0.00 55.73 56.18 3fjo s ARG 464 Cb 0.00 -2.09 -0.03 0.00 0.52 0.00 0.00 34.95 33.34 3fjo s ARG 464 CO 0.00 -0.49 0.18 0.42 0.02 0.00 0.00 175.30 175.43 3fjo s ILE 465 N -2.52 5.07 0.04 1.52 1.01 -1.26 -0.21 121.20 124.85 3fjo s ILE 465 Ca 0.61 -0.07 -0.11 0.00 0.00 0.00 0.00 60.65 61.08 3fjo s ILE 465 Cb -0.13 -3.49 -0.06 0.00 0.01 0.00 0.00 42.46 38.80 3fjo s ILE 465 CO 0.33 0.16 0.39 0.20 0.00 0.00 0.00 174.94 176.02 3fjo s ASN 466 N 1.71 6.69 -0.14 3.58 0.02 0.21 -4.95 114.94 122.05 3fjo s ASN 466 Ca 0.06 0.83 0.02 0.00 -1.02 0.00 0.00 52.86 52.75 3fjo s ASN 466 Cb -0.16 -2.20 0.02 0.00 0.02 0.00 0.00 41.25 38.92 3fjo s ASN 466 CO 0.09 0.23 -0.18 -0.54 0.02 0.00 0.00 177.10 176.72 3fjo s LYS 467 N -1.60 2.68 0.22 -0.60 1.02 -1.26 -2.15 119.74 118.05 3fjo s LYS 467 Ca 0.29 -0.72 -0.30 0.00 0.02 0.00 0.00 55.97 55.26 3fjo s LYS 467 Cb -0.15 -2.26 -0.10 0.00 -0.52 0.00 0.00 37.83 34.80 3fjo s LYS 467 CO 0.16 -0.11 1.44 0.20 -0.92 0.00 0.00 175.35 176.12 3fjo s GLY 468 N 1.09 2.20 0.02 -3.33 0.00 0.61 -4.95 107.32 102.96 3fjo s GLY 468 Ca -0.02 1.30 -0.18 0.00 0.00 0.00 0.00 44.72 45.82 3fjo s GLY 468 CO -0.06 2.32 1.12 -2.08 0.00 0.00 0.00 173.10 174.39 3fjo h VAL 469 N 3.67 0.00 -0.62 1.40 2.07 -1.93 -2.69 116.25 118.15 3fjo h VAL 469 Ca -0.45 -0.08 -0.05 0.00 0.82 0.00 0.00 66.70 66.94 3fjo h VAL 469 Cb 1.21 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.96 3fjo h VAL 469 CO 0.80 0.00 0.20 0.00 0.02 0.00 0.00 177.57 178.59 3fjo h ALA 470 N -1.62 1.19 0.06 1.67 0.00 -1.92 -1.93 119.26 116.71 3fjo h ALA 470 Ca -0.07 -0.19 -0.26 0.00 0.00 0.00 0.00 54.91 54.39 3fjo h ALA 470 Cb 0.49 -0.25 0.01 0.00 0.00 0.00 0.00 17.79 18.04 3fjo h ALA 470 CO 0.11 0.57 -1.10 1.79 0.00 0.00 0.00 179.25 180.62 3fjo h THR 471 N 0.90 1.39 -0.14 0.00 1.35 -1.93 0.24 112.91 114.72 3fjo h THR 471 Ca 0.20 -2.58 -0.16 0.00 -0.55 0.00 0.00 66.41 63.33 3fjo h THR 471 Cb 0.25 2.61 -0.01 0.00 -1.73 0.00 0.00 68.15 69.27 3fjo h THR 471 CO -0.01 0.77 -0.58 0.78 -0.25 0.00 0.00 175.52 176.23 3fjo h ASN 472 N 0.22 0.50 0.09 5.36 2.35 -1.43 -0.97 115.58 121.69 3fjo h ASN 472 Ca -0.12 -0.27 -0.00 0.00 -0.55 0.00 0.00 56.30 55.35 3fjo h ASN 472 Cb 1.76 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 39.99 3fjo h ASN 472 CO 0.19 0.97 -0.04 -0.25 -1.65 0.00 0.00 177.43 176.65 3fjo h TRP 473 N 0.34 -0.11 -0.77 1.19 7.01 -1.26 -1.99 115.95 120.35 3fjo h TRP 473 Ca 0.00 -0.00 0.02 0.00 2.11 0.00 0.00 58.89 61.02 3fjo h TRP 473 Cb 1.11 0.04 -0.04 0.00 -2.10 0.00 0.00 29.16 28.16 3fjo h TRP 473 CO 0.04 0.07 0.50 -0.07 -2.79 0.00 0.00 178.44 176.18 3fjo h LEU 474 N -0.28 0.85 -1.45 0.65 3.38 -0.52 -2.29 115.31 115.65 3fjo h LEU 474 Ca -0.01 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 57.95 3fjo h LEU 474 Cb 0.23 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 3fjo h LEU 474 CO 0.02 0.60 0.38 -0.09 0.09 0.00 0.00 178.44 179.44 3fjo h ARG 475 N 1.00 0.73 0.00 1.13 2.43 -1.10 -2.26 114.38 116.32 3fjo h ARG 475 Ca 0.29 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.42 3fjo h ARG 475 Cb -0.06 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.33 3fjo h ARG 475 CO -0.08 0.48 0.00 0.00 -1.51 0.00 0.00 179.97 178.86 3fjo n ALA 476 N -2.45 2.20 -2.00 2.80 0.00 -0.75 -4.69 120.51 115.61 3fjo n ALA 476 Ca 0.06 -0.04 -0.42 0.00 0.00 0.00 0.00 53.44 53.03 3fjo n ALA 476 Cb 0.06 -1.45 -0.03 0.00 0.00 0.00 0.00 19.45 18.03 3fjo n ALA 476 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3fjo s LYS 477 N -3.08 3.18 -0.14 0.00 -0.14 -0.85 -4.98 119.74 113.73 3fjo s LYS 477 Ca 0.11 1.26 -0.16 0.00 -1.36 0.00 0.00 55.97 55.82 3fjo s LYS 477 Cb 0.14 -4.24 -0.04 0.00 -1.68 0.00 0.00 37.83 32.01 3fjo s LYS 477 CO 0.53 -2.05 0.39 -1.21 -0.76 0.00 0.00 175.35 172.25 3fjo s GLU 478 N 5.96 4.30 0.00 1.68 0.41 -1.26 -4.89 118.70 124.90 3fjo s GLU 478 Ca 0.77 0.29 0.02 0.00 -0.41 0.00 0.00 54.97 55.64 3fjo s GLU 478 Cb -0.20 -3.43 0.10 0.00 -1.78 0.00 0.00 34.13 28.82 3fjo s GLU 478 CO 0.31 0.20 0.73 -2.30 -0.49 0.00 0.00 175.26 173.71 3fjo n PRO 479 N 3.60 0.04 -3.42 0.39 -0.02 -1.26 -4.42 135.00 129.91 3fjo n PRO 479 Ca -0.09 0.13 -0.22 0.00 -2.02 0.00 0.00 63.50 61.30 3fjo n PRO 479 Cb 0.52 -1.50 -0.10 0.00 -0.02 0.00 0.00 33.50 32.39 3fjo n PRO 479 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3fjo s ALA 480 N -2.29 0.12 0.35 3.55 0.00 -1.26 -4.89 121.76 117.35 3fjo s ALA 480 Ca 0.02 -1.17 -0.13 0.00 0.00 0.00 0.00 51.96 50.69 3fjo s ALA 480 Cb 0.01 -1.79 -0.08 0.00 0.00 0.00 0.00 23.12 21.27 3fjo s ALA 480 CO 0.02 -2.00 0.73 0.50 0.00 0.00 0.00 175.76 175.02 3fjo s ARG 486 N 1.54 3.89 -0.32 0.00 3.00 -1.26 -5.23 118.95 120.58 3fjo s ARG 486 Ca 0.15 0.55 -0.09 0.00 -1.00 0.00 0.00 55.73 55.35 3fjo s ARG 486 Cb -0.18 -2.43 0.01 0.00 0.00 0.00 0.00 34.95 32.35 3fjo s ARG 486 CO -0.11 0.09 0.14 0.00 0.00 0.00 0.00 175.30 175.42 3fjo s ALA 487 N -2.13 3.19 -0.05 6.12 0.00 -1.26 -5.06 121.76 122.56 3fjo s ALA 487 Ca 0.52 -1.51 0.02 0.00 0.00 0.00 0.00 51.96 51.00 3fjo s ALA 487 Cb -0.10 -2.34 -0.03 0.00 0.00 0.00 0.00 23.12 20.65 3fjo s ALA 487 CO 0.23 -1.05 -0.10 -0.51 0.00 0.00 0.00 175.76 174.34 3fjo s LEU 488 N 1.55 2.99 -0.22 0.00 1.43 -1.26 -1.34 118.68 121.83 3fjo s LEU 488 Ca 0.03 -0.11 0.02 0.00 -1.03 0.00 0.00 54.13 53.03 3fjo s LEU 488 Cb -0.18 -1.65 0.04 0.00 0.03 0.00 0.00 46.19 44.43 3fjo s LEU 488 CO 0.05 0.34 -0.15 -0.69 0.23 0.00 0.00 176.35 176.13 3fjo s VAL 489 N -0.81 2.06 0.17 -1.59 1.01 -0.02 -4.89 120.40 116.33 3fjo s VAL 489 Ca 0.13 -1.26 -0.31 0.00 0.00 0.00 0.00 61.98 60.54 3fjo s VAL 489 Cb -0.11 -2.03 -0.10 0.00 0.00 0.00 0.00 36.38 34.14 3fjo s VAL 489 CO 0.02 0.24 1.54 -2.84 0.00 0.00 0.00 175.10 174.06 3fjo s PRO 490 N 1.22 4.23 0.25 2.72 0.02 -1.26 -1.74 135.00 140.43 3fjo s PRO 490 Ca -0.02 2.33 -0.14 0.00 0.02 0.00 0.00 61.00 63.19 3fjo s PRO 490 Cb -0.16 -3.16 0.00 0.00 0.02 0.00 0.00 34.50 31.20 3fjo s PRO 490 CO -0.09 -0.57 0.51 0.00 -0.33 0.00 0.00 177.00 176.53 3fjo s MET 491 N 0.95 1.57 0.21 5.54 0.23 -0.27 -2.13 119.30 125.39 3fjo s MET 491 Ca 0.68 -1.18 -0.23 0.00 -1.03 0.00 0.00 55.69 53.93 3fjo s MET 491 Cb -0.43 0.49 0.05 0.00 -1.53 0.00 0.00 34.83 33.41 3fjo s MET 491 CO 0.33 -0.66 0.77 -0.59 -2.03 0.00 0.00 175.02 172.84 3fjo s PHE 492 N -3.99 -0.24 -0.13 3.16 -0.71 -0.39 -0.84 117.98 114.84 3fjo s PHE 492 Ca 0.20 -0.11 0.00 0.00 -1.04 0.00 0.00 56.93 55.98 3fjo s PHE 492 Cb -0.01 0.65 -0.01 0.00 -1.21 0.00 0.00 43.02 42.44 3fjo s PHE 492 CO 0.08 -1.02 -0.14 0.08 -1.34 0.00 0.00 175.22 172.88 3fjo s VAL 493 N -3.67 2.90 -0.17 -2.49 1.01 -1.26 -0.17 120.40 116.55 3fjo s VAL 493 Ca 0.09 -0.71 -0.03 0.00 0.00 0.00 0.00 61.98 61.33 3fjo s VAL 493 Cb -0.04 -2.21 -0.02 0.00 0.00 0.00 0.00 36.38 34.11 3fjo s VAL 493 CO 0.01 0.53 -0.05 0.00 0.00 0.00 0.00 175.10 175.59 3fjo s ARG 494 N 0.43 3.54 0.35 2.72 1.70 -0.84 -4.95 118.95 121.90 3fjo s ARG 494 Ca -0.11 -0.58 -0.28 0.00 -0.47 0.00 0.00 55.73 54.29 3fjo s ARG 494 Cb -0.16 -2.90 -0.11 0.00 -0.57 0.00 0.00 34.95 31.21 3fjo s ARG 494 CO 0.05 0.11 1.38 0.15 -1.08 0.00 0.00 175.30 175.91 3fjo s LYS 495 N 0.70 4.26 0.44 3.89 -0.14 -1.26 -2.84 119.74 124.78 3fjo s LYS 495 Ca -0.03 2.36 0.00 0.00 -1.36 0.00 0.00 55.97 56.94 3fjo s LYS 495 Cb -0.15 -3.03 -0.00 0.00 -1.68 0.00 0.00 37.83 32.97 3fjo s LYS 495 CO 0.02 -0.32 0.01 -1.13 -0.76 0.00 0.00 175.35 173.16 3fjo n SER 496 N 0.68 3.13 -0.92 2.83 3.41 -1.26 -4.93 113.62 116.57 3fjo n SER 496 Ca 0.00 -2.92 0.08 0.00 -0.26 0.00 0.00 58.87 55.77 3fjo n SER 496 Cb 0.41 0.33 0.24 0.00 -0.26 0.00 0.00 64.21 64.93 3fjo n SER 496 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3fjo n GLN 497 N -1.08 3.07 -2.87 4.33 3.00 -1.26 -4.90 117.38 117.68 3fjo n GLN 497 Ca -0.18 -2.58 -0.43 0.00 -0.01 0.00 0.00 57.00 53.80 3fjo n GLN 497 Cb 0.55 -1.66 -0.04 0.00 0.00 0.00 0.00 30.24 29.09 3fjo n GLN 497 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.06 177.18 3fjo s PHE 498 N -2.06 2.70 0.02 1.08 5.36 -1.26 -5.01 117.98 118.81 3fjo s PHE 498 Ca 0.37 -0.54 0.02 0.00 -0.96 0.00 0.00 56.93 55.81 3fjo s PHE 498 Cb 0.26 -4.26 -0.02 0.00 -0.34 0.00 0.00 43.02 38.67 3fjo s PHE 498 CO 0.13 -1.61 -0.06 1.03 -1.46 0.00 0.00 175.22 173.25 3fjo s ARG 499 N 3.98 0.45 0.83 10.12 1.81 -1.26 -4.01 118.95 130.87 3fjo s ARG 499 Ca 0.22 -0.51 -0.13 0.00 -1.72 0.00 0.00 55.73 53.59 3fjo s ARG 499 Cb -0.17 -0.29 0.09 0.00 -0.45 0.00 0.00 34.95 34.13 3fjo s ARG 499 CO 0.10 0.06 1.18 1.28 -0.68 0.00 0.00 175.30 177.25 3fjo n LEU 500 N 2.07 4.16 -4.77 2.53 4.77 -1.26 -4.95 117.00 119.55 3fjo n LEU 500 Ca -0.19 0.56 -0.41 0.00 -0.03 0.00 0.00 56.01 55.94 3fjo n LEU 500 Cb 0.56 -1.50 -0.02 0.00 -2.33 0.00 0.00 43.42 40.13 3fjo n LEU 500 CO 0.23 -1.81 0.98 -2.84 -1.33 0.00 0.00 177.39 172.62 3fjo s PRO 501 N -4.18 4.36 0.40 3.23 0.02 -1.26 -4.90 135.00 132.68 3fjo s PRO 501 Ca 0.72 2.20 0.22 0.00 0.02 0.00 0.00 61.00 64.16 3fjo s PRO 501 Cb -0.28 -3.08 0.63 0.00 0.02 0.00 0.00 34.50 31.79 3fjo s PRO 501 CO 0.52 -0.19 1.70 0.74 -0.33 0.00 0.00 177.00 179.45 3fjo h PHE 502 N 3.60 0.00 -3.34 6.54 0.04 -1.99 -3.39 116.94 118.39 3fjo h PHE 502 Ca -0.48 0.00 -0.61 0.00 2.80 0.00 0.00 57.97 59.68 3fjo h PHE 502 Cb 1.22 0.00 -0.12 0.00 2.20 0.00 0.00 35.95 39.26 3fjo h PHE 502 CO 0.56 0.26 0.56 0.21 -0.60 0.00 0.00 178.31 179.30 3fjo s LYS 503 N -3.40 3.39 0.43 1.51 2.20 -1.26 -4.93 119.74 117.67 3fjo s LYS 503 Ca 0.02 -0.15 0.13 0.00 -0.36 0.00 0.00 55.97 55.62 3fjo s LYS 503 Cb 0.09 -4.01 1.01 0.00 -1.51 0.00 0.00 37.83 33.40 3fjo s LYS 503 CO 0.67 -1.40 1.98 0.00 -0.36 0.00 0.00 175.35 176.24 3fjo h ALA 504 N 9.23 1.98 0.00 3.13 0.00 -1.84 -1.81 119.26 129.96 3fjo h ALA 504 Ca -0.25 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.64 3fjo h ALA 504 Cb 1.07 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.77 3fjo h ALA 504 CO 1.06 -0.11 0.00 0.25 0.00 0.00 0.00 179.25 180.46 3fjo n THR 505 N -4.47 0.86 -2.21 0.00 -2.24 -1.23 -1.94 114.28 103.06 3fjo n THR 505 Ca 0.09 0.28 -0.42 0.00 -2.27 0.00 0.00 64.05 61.73 3fjo n THR 505 Cb 0.34 -1.21 -0.03 0.00 -2.10 0.00 0.00 70.33 67.34 3fjo n THR 505 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3fjo s THR 506 N -3.32 3.56 0.55 4.28 2.01 -0.68 -3.32 115.64 118.72 3fjo s THR 506 Ca 0.04 1.04 -0.21 0.00 0.31 0.00 0.00 61.69 62.86 3fjo s THR 506 Cb 0.09 -3.67 -0.05 0.00 0.01 0.00 0.00 72.50 68.89 3fjo s THR 506 CO 0.37 0.03 1.31 -2.84 -0.69 0.00 0.00 174.62 172.80 3fjo s PRO 507 N 1.84 3.14 -0.03 4.92 0.02 -1.26 -4.31 135.00 139.32 3fjo s PRO 507 Ca 0.64 2.12 0.05 0.00 0.02 0.00 0.00 61.00 63.83 3fjo s PRO 507 Cb -0.34 -2.20 -0.01 0.00 0.02 0.00 0.00 34.50 31.98 3fjo s PRO 507 CO 0.28 -1.16 -0.19 0.14 -0.33 0.00 0.00 177.00 175.75 3fjo s VAL 508 N -1.37 1.50 -0.26 3.83 -7.23 -0.23 -1.23 120.40 115.41 3fjo s VAL 508 Ca 0.72 -0.78 0.03 0.00 -1.81 0.00 0.00 61.98 60.14 3fjo s VAL 508 Cb -0.38 -1.26 0.06 0.00 0.56 0.00 0.00 36.38 35.36 3fjo s VAL 508 CO 0.44 0.43 -0.10 -0.63 -0.31 0.00 0.00 175.10 174.92 3fjo s ILE 509 N -0.23 2.10 -0.20 -0.62 1.01 0.36 -1.42 121.20 122.19 3fjo s ILE 509 Ca 0.02 -1.61 -0.05 0.00 0.00 0.00 0.00 60.65 59.01 3fjo s ILE 509 Cb -0.09 -2.24 -0.03 0.00 0.01 0.00 0.00 42.46 40.11 3fjo s ILE 509 CO 0.01 -0.05 0.01 -0.04 0.00 0.00 0.00 174.94 174.87 3fjo s MET 510 N 1.13 3.66 -0.30 2.79 -1.94 0.52 -0.65 119.30 124.51 3fjo s MET 510 Ca -0.08 -0.50 -0.00 0.00 -1.71 0.00 0.00 55.69 53.40 3fjo s MET 510 Cb -0.20 -3.11 0.06 0.00 2.01 0.00 0.00 34.83 33.59 3fjo s MET 510 CO -0.05 0.03 -0.02 0.08 -0.01 0.00 0.00 175.02 175.05 3fjo s VAL 511 N 0.96 2.71 -0.44 -6.03 1.01 0.67 0.60 120.40 119.88 3fjo s VAL 511 Ca 0.02 -1.56 0.06 0.00 0.00 0.00 0.00 61.98 60.50 3fjo s VAL 511 Cb -0.14 -2.61 0.21 0.00 0.00 0.00 0.00 36.38 33.84 3fjo s VAL 511 CO 0.02 -0.14 0.58 0.61 0.00 0.00 0.00 175.10 176.16 3fjo n GLY 512 N 4.54 1.40 3.76 4.51 0.00 -0.66 -1.20 105.19 117.55 3fjo n GLY 512 Ca -0.12 -0.75 -0.36 0.00 0.00 0.00 0.00 46.02 44.79 3fjo n GLY 512 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3fjo s PRO 513 N -0.02 3.07 7.36 1.61 0.04 -1.26 -2.08 135.00 143.72 3fjo s PRO 513 Ca 0.33 1.85 0.00 0.00 0.04 0.00 0.00 61.00 63.22 3fjo s PRO 513 Cb 0.11 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 32.65 3fjo s PRO 513 CO -0.15 -1.13 0.00 0.41 0.04 0.00 0.00 177.00 176.16 3fjo n GLY 514 N 0.51 3.31 0.21 0.56 0.00 0.11 -1.54 105.19 108.35 3fjo n GLY 514 Ca 0.13 -0.20 0.15 0.00 0.00 0.00 0.00 46.02 46.10 3fjo n GLY 514 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3fjo h THR 515 N 0.00 0.00 0.00 2.61 1.35 -1.89 -2.97 112.91 112.00 3fjo h THR 515 Ca 0.00 -0.21 0.00 0.00 -0.55 0.00 0.00 66.41 65.65 3fjo h THR 515 Cb 0.00 1.01 0.00 0.00 -1.73 0.00 0.00 68.15 67.43 3fjo h THR 515 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 3fjo n GLY 516 N -0.47 -0.62 0.28 5.82 0.00 -0.59 -1.52 105.19 108.09 3fjo n GLY 516 Ca 0.00 -0.08 0.15 0.00 0.00 0.00 0.00 46.02 46.10 3fjo n GLY 516 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 3fjo h VAL 517 N 0.00 0.36 -0.33 1.61 3.04 -1.25 -3.39 116.25 116.28 3fjo h VAL 517 Ca 0.00 -0.48 0.03 0.00 -1.01 0.00 0.00 66.70 65.24 3fjo h VAL 517 Cb 0.08 1.35 -0.04 0.00 -2.01 0.00 0.00 31.29 30.67 3fjo h VAL 517 CO 0.00 0.08 -0.20 0.00 -1.01 0.00 0.00 177.57 176.44 3fjo n ALA 518 N -2.21 -0.21 0.20 3.17 0.00 -0.57 -0.49 120.51 120.40 3fjo n ALA 518 Ca -0.01 0.28 0.05 0.00 0.00 0.00 0.00 53.44 53.76 3fjo n ALA 518 Cb 0.24 0.17 0.51 0.00 0.00 0.00 0.00 19.45 20.37 3fjo n ALA 518 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 3fjo h PRO 519 N 0.00 0.08 0.00 0.00 0.13 -1.75 -2.43 132.00 128.03 3fjo h PRO 519 Ca 0.05 -0.01 -0.07 0.00 -0.87 0.00 0.00 66.00 65.10 3fjo h PRO 519 Cb 0.14 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.24 3fjo h PRO 519 CO -0.31 0.18 -0.32 0.74 -0.23 0.00 0.00 178.00 178.06 3fjo h PHE 520 N 0.08 0.00 -0.41 1.56 0.04 -1.05 -1.85 116.94 115.31 3fjo h PHE 520 Ca 0.02 0.00 0.05 0.00 2.80 0.00 0.00 57.97 60.84 3fjo h PHE 520 Cb 0.21 0.00 -0.05 0.00 2.20 0.00 0.00 35.95 38.32 3fjo h PHE 520 CO 0.00 0.32 0.14 0.82 -0.60 0.00 0.00 178.31 178.99 3fjo h ILE 521 N 0.00 0.87 -0.55 -0.55 1.08 -0.86 0.55 117.51 118.05 3fjo h ILE 521 Ca -0.00 -0.10 -0.11 0.00 -0.39 0.00 0.00 64.86 64.26 3fjo h ILE 521 Cb 0.88 0.54 -0.02 0.00 -3.07 0.00 0.00 36.82 35.16 3fjo h ILE 521 CO 0.04 0.06 -0.07 1.23 -0.69 0.00 0.00 178.15 178.71 3fjo h GLY 522 N 0.30 1.11 0.41 5.37 0.00 -1.45 -1.38 103.07 107.43 3fjo h GLY 522 Ca 0.19 -0.87 0.10 0.00 0.00 0.00 0.00 47.33 46.75 3fjo h GLY 522 CO -0.20 0.80 0.32 0.74 0.00 0.00 0.00 176.54 178.20 3fjo h PHE 523 N 0.91 0.56 -0.13 5.60 -1.00 -0.81 -0.02 116.94 122.04 3fjo h PHE 523 Ca 0.15 0.03 -0.07 0.00 2.81 0.00 0.00 57.97 60.89 3fjo h PHE 523 Cb 0.64 -0.15 -0.00 0.00 3.61 0.00 0.00 35.95 40.05 3fjo h PHE 523 CO 0.04 0.18 -0.19 0.82 -1.61 0.00 0.00 178.31 177.55 3fjo h ILE 524 N 0.53 1.36 -0.76 -0.55 2.04 -0.72 -0.07 117.51 119.34 3fjo h ILE 524 Ca 0.35 -1.41 0.17 0.00 1.00 0.00 0.00 64.86 64.97 3fjo h ILE 524 Cb 0.40 1.97 -0.11 0.00 -0.74 0.00 0.00 36.82 38.34 3fjo h ILE 524 CO -0.29 0.41 0.23 1.56 0.00 0.00 0.00 178.15 180.06 3fjo h GLN 525 N -0.03 0.31 -0.31 2.37 4.20 -1.10 -0.39 115.11 120.17 3fjo h GLN 525 Ca 0.01 -0.02 -0.07 0.00 0.06 0.00 0.00 58.65 58.63 3fjo h GLN 525 Cb 0.75 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.45 3fjo h GLN 525 CO 0.04 0.21 -0.10 1.49 -0.67 0.00 0.00 178.83 179.80 3fjo h GLU 526 N 0.32 0.61 -0.39 1.46 4.81 -0.68 -0.79 114.58 119.92 3fjo h GLU 526 Ca 0.44 -0.24 -0.08 0.00 -0.13 0.00 0.00 59.36 59.35 3fjo h GLU 526 Cb 0.75 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.08 3fjo h GLU 526 CO -0.49 0.81 -0.05 0.00 -0.73 0.00 0.00 179.01 178.55 3fjo h ARG 527 N 0.38 0.72 -0.43 1.92 3.08 -0.64 -0.60 114.38 118.80 3fjo h ARG 527 Ca 0.08 -0.26 0.08 0.00 0.07 0.00 0.00 59.98 59.95 3fjo h ARG 527 Cb 0.60 -0.05 -0.08 0.00 0.08 0.00 0.00 29.97 30.52 3fjo h ARG 527 CO 0.04 0.84 -0.05 0.00 -1.07 0.00 0.00 179.97 179.73 3fjo h ALA 528 N 0.86 0.35 -0.74 0.04 0.00 -1.06 -1.70 119.26 117.00 3fjo h ALA 528 Ca 0.10 0.15 0.08 0.00 0.00 0.00 0.00 54.91 55.24 3fjo h ALA 528 Cb 0.55 0.27 -0.07 0.00 0.00 0.00 0.00 17.79 18.54 3fjo h ALA 528 CO 0.03 -0.42 0.40 2.35 0.00 0.00 0.00 179.25 181.61 3fjo h TRP 529 N 0.06 0.73 -0.75 0.00 7.01 -0.62 0.05 115.95 122.43 3fjo h TRP 529 Ca 0.21 0.03 -0.03 0.00 2.11 0.00 0.00 58.89 61.21 3fjo h TRP 529 Cb 0.32 -0.22 -0.03 0.00 -2.10 0.00 0.00 29.16 27.13 3fjo h TRP 529 CO -0.33 0.31 0.36 -0.07 -2.79 0.00 0.00 178.44 175.92 3fjo h LEU 530 N 0.70 0.98 -0.64 0.65 3.38 -0.48 -1.59 115.31 118.31 3fjo h LEU 530 Ca 0.35 -0.13 -0.05 0.00 0.09 0.00 0.00 57.88 58.14 3fjo h LEU 530 Cb 0.31 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 3fjo h LEU 530 CO -0.23 0.84 0.22 0.03 0.09 0.00 0.00 178.44 179.38 3fjo h ARG 531 N 1.05 0.99 0.00 1.13 3.08 -0.67 -2.14 114.38 117.82 3fjo h ARG 531 Ca 0.26 -0.20 -0.01 0.00 0.07 0.00 0.00 59.98 60.10 3fjo h ARG 531 Cb 0.12 -0.15 -0.00 0.00 0.08 0.00 0.00 29.97 30.02 3fjo h ARG 531 CO -0.03 0.85 -0.04 1.96 -1.07 0.00 0.00 179.97 181.65 3fjo h GLN 532 N 0.92 0.00 -0.28 0.04 4.20 -0.51 -2.40 115.11 117.09 3fjo h GLN 532 Ca 0.21 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.92 3fjo h GLN 532 Cb 0.27 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.05 3fjo h GLN 532 CO -0.01 0.04 0.00 1.04 -0.67 0.00 0.00 178.83 179.23 3fjo n GLN 533 N -3.66 1.93 -0.20 1.46 1.13 -0.64 -4.93 117.38 112.46 3fjo n GLN 533 Ca -0.03 -1.41 0.00 0.00 -1.94 0.00 0.00 57.00 53.62 3fjo n GLN 533 Cb 0.13 -1.39 0.00 0.00 0.11 0.00 0.00 30.24 29.09 3fjo n GLN 533 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3fjo n GLY 534 N 1.20 0.80 3.77 1.08 0.00 -0.90 -5.06 105.19 106.09 3fjo n GLY 534 Ca 0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.80 3fjo n GLY 534 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3fjo s LYS 535 N -0.66 4.26 -0.06 1.61 1.02 -0.85 -5.01 119.74 120.04 3fjo s LYS 535 Ca 0.00 1.64 -0.28 0.00 0.02 0.00 0.00 55.97 57.35 3fjo s LYS 535 Cb 0.00 -2.72 -0.02 0.00 -0.52 0.00 0.00 37.83 34.56 3fjo s LYS 535 CO 0.00 -0.09 0.91 -1.21 -0.92 0.00 0.00 175.35 174.04 3fjo s GLU 536 N -2.20 4.46 -0.06 1.68 8.01 -1.26 -4.13 118.70 125.20 3fjo s GLU 536 Ca 0.54 1.25 0.04 0.00 0.01 0.00 0.00 54.97 56.81 3fjo s GLU 536 Cb -0.26 -3.49 -0.02 0.00 -4.31 0.00 0.00 34.13 26.05 3fjo s GLU 536 CO 0.33 -0.13 -0.18 0.08 0.01 0.00 0.00 175.26 175.37 3fjo s VAL 537 N 1.38 2.72 1.16 2.63 1.01 -1.26 -3.48 120.40 124.56 3fjo s VAL 537 Ca 0.46 -0.83 -0.18 0.00 0.00 0.00 0.00 61.98 61.43 3fjo s VAL 537 Cb -0.19 -2.05 0.27 0.00 0.00 0.00 0.00 36.38 34.41 3fjo s VAL 537 CO 0.21 0.57 1.11 -0.83 0.00 0.00 0.00 175.10 176.17 3fjo s GLY 538 N -0.38 1.59 0.43 4.51 0.00 -0.82 -4.90 107.32 107.74 3fjo s GLY 538 Ca 0.04 -0.87 -0.24 0.00 0.00 0.00 0.00 44.72 43.64 3fjo s GLY 538 CO 0.02 -0.03 1.13 1.18 0.00 0.00 0.00 173.10 175.40 3fjo n GLU 539 N -4.64 1.59 -3.75 2.90 1.02 -1.26 -4.81 120.64 111.69 3fjo n GLU 539 Ca 0.12 0.57 -0.30 0.00 -0.02 0.00 0.00 57.16 57.53 3fjo n GLU 539 Cb 0.59 -2.21 -0.14 0.00 -0.02 0.00 0.00 31.44 29.66 3fjo n GLU 539 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 3fjo s THR 540 N -1.25 1.18 -0.23 2.62 2.01 -1.26 -1.06 115.64 117.64 3fjo s THR 540 Ca 0.63 -1.89 -0.09 0.00 0.31 0.00 0.00 61.69 60.65 3fjo s THR 540 Cb -0.53 -1.86 -0.05 0.00 0.01 0.00 0.00 72.50 70.08 3fjo s THR 540 CO 0.57 -0.75 0.13 -0.76 -0.69 0.00 0.00 174.62 173.11 3fjo s LEU 541 N 1.11 3.95 -0.18 4.42 1.02 -0.51 -1.91 118.68 126.57 3fjo s LEU 541 Ca 0.13 0.05 -0.07 0.00 0.02 0.00 0.00 54.13 54.25 3fjo s LEU 541 Cb -0.20 -2.05 -0.04 0.00 0.02 0.00 0.00 46.19 43.92 3fjo s LEU 541 CO -0.14 0.06 0.06 -0.22 0.02 0.00 0.00 176.35 176.13 3fjo s LEU 542 N 1.06 3.80 -0.53 1.79 2.96 -0.88 -0.36 118.68 126.54 3fjo s LEU 542 Ca 0.06 0.07 -0.05 0.00 -0.22 0.00 0.00 54.13 54.00 3fjo s LEU 542 Cb -0.14 -1.96 0.14 0.00 0.50 0.00 0.00 46.19 44.73 3fjo s LEU 542 CO 0.04 0.17 0.35 -0.31 -1.32 0.00 0.00 176.35 175.28 3fjo s TYR 543 N 0.40 3.50 0.28 5.38 2.02 0.20 -1.47 117.35 127.66 3fjo s TYR 543 Ca 0.03 -2.38 0.06 0.00 -0.37 0.00 0.00 57.07 54.41 3fjo s TYR 543 Cb -0.12 -3.31 -0.02 0.00 -0.40 0.00 0.00 41.96 38.10 3fjo s TYR 543 CO 0.00 -0.93 0.38 -0.47 -1.57 0.00 0.00 175.55 172.96 3fjo s TYR 544 N 0.70 3.28 -0.02 2.71 5.04 0.49 -1.65 117.35 127.90 3fjo s TYR 544 Ca 0.11 -0.11 -0.14 0.00 -2.44 0.00 0.00 57.07 54.49 3fjo s TYR 544 Cb -0.22 -1.70 0.02 0.00 0.35 0.00 0.00 41.96 40.41 3fjo s TYR 544 CO -0.03 0.29 0.31 0.20 -1.34 0.00 0.00 175.55 174.97 3fjo s GLY 545 N -4.03 -0.16 0.27 8.97 0.00 -1.26 -1.51 107.32 109.60 3fjo s GLY 545 Ca 0.38 0.37 -0.11 0.00 0.00 0.00 0.00 44.72 45.36 3fjo s GLY 545 CO 0.29 0.17 0.56 0.00 0.00 0.00 0.00 173.10 174.12 3fjo h ARG 547 N 0.00 0.50 -2.02 0.00 3.08 -1.88 0.08 114.38 114.15 3fjo h ARG 547 Ca -0.23 -0.77 -0.06 0.00 0.07 0.00 0.00 59.98 58.99 3fjo h ARG 547 Cb 0.86 0.28 -0.19 0.00 0.08 0.00 0.00 29.97 31.00 3fjo h ARG 547 CO 0.30 1.36 0.18 0.50 -1.07 0.00 0.00 179.97 181.23 3fjo s ARG 548 N -2.70 1.04 0.26 0.04 3.52 -1.26 -2.03 118.95 117.82 3fjo s ARG 548 Ca -0.11 0.30 0.10 0.00 -0.13 0.00 0.00 55.73 55.89 3fjo s ARG 548 Cb 0.04 0.49 0.32 0.00 -1.56 0.00 0.00 34.95 34.24 3fjo s ARG 548 CO 0.91 -0.31 1.59 1.03 -0.81 0.00 0.00 175.30 177.71 3fjo h SER 549 N 3.15 0.02 -0.59 -2.12 0.87 -1.94 -2.78 113.55 110.16 3fjo h SER 549 Ca -0.27 -0.01 -0.25 0.00 -1.23 0.00 0.00 61.79 60.03 3fjo h SER 549 Cb 1.14 -0.01 -0.15 0.00 -0.44 0.00 0.00 62.40 62.95 3fjo h SER 549 CO 0.37 0.65 0.20 -0.90 -0.53 0.00 0.00 176.83 176.62 3fjo n ASP 550 N -3.79 3.50 0.07 6.23 3.85 -1.26 -4.24 116.55 120.91 3fjo n ASP 550 Ca -0.01 -3.51 0.00 0.00 -0.71 0.00 0.00 54.79 50.56 3fjo n ASP 550 Cb 0.63 -0.70 0.00 0.00 -1.35 0.00 0.00 41.12 39.70 3fjo n ASP 550 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.20 177.40 3fjo n GLU 551 N -0.84 0.00 -2.77 0.11 4.07 -1.21 -4.31 120.64 115.69 3fjo n GLU 551 Ca 0.40 0.00 -0.10 0.00 -0.06 0.00 0.00 57.16 57.40 3fjo n GLU 551 Cb 1.26 -0.19 0.05 0.00 -0.06 0.00 0.00 31.44 32.50 3fjo n GLU 551 CO 0.00 0.00 0.00 -0.40 -0.06 0.00 0.00 177.13 176.67 3fjo n ASP 552 N -3.18 -0.03 -4.43 4.31 5.68 -1.05 -0.22 116.55 117.63 3fjo n ASP 552 Ca 0.00 -2.80 -0.44 0.00 -0.50 0.00 0.00 54.79 51.06 3fjo n ASP 552 Cb 0.07 0.17 -0.05 0.00 -1.14 0.00 0.00 41.12 40.17 3fjo n ASP 552 CO 0.00 0.00 0.00 -0.47 -1.33 0.00 0.00 177.20 175.40 3fjo s TYR 553 N -1.69 2.93 0.15 2.11 6.14 -1.22 -4.61 117.35 121.17 3fjo s TYR 553 Ca 0.27 -0.65 -0.30 0.00 0.64 0.00 0.00 57.07 57.03 3fjo s TYR 553 Cb 0.41 -3.92 -0.07 0.00 0.42 0.00 0.00 41.96 38.79 3fjo s TYR 553 CO -0.03 -1.29 1.16 -0.51 0.64 0.00 0.00 175.55 175.52 3fjo s LEU 554 N 3.07 4.44 -1.25 6.97 1.43 -1.26 -3.75 118.68 128.32 3fjo s LEU 554 Ca 0.17 2.12 -0.07 0.00 -1.03 0.00 0.00 54.13 55.32 3fjo s LEU 554 Cb -0.20 -3.60 -0.01 0.00 0.03 0.00 0.00 46.19 42.41 3fjo s LEU 554 CO 0.10 -0.34 0.70 -1.22 0.23 0.00 0.00 176.35 175.82 3fjo n TYR 555 N 2.80 -1.92 -0.15 0.29 4.01 -1.26 -4.91 117.16 116.02 3fjo n TYR 555 Ca 0.05 0.71 -0.10 0.00 -0.16 0.00 0.00 57.90 58.40 3fjo n TYR 555 Cb 0.46 -3.99 0.02 0.00 -0.31 0.00 0.00 39.34 35.52 3fjo n TYR 555 CO 0.00 0.00 0.00 -0.09 -0.46 0.00 0.00 176.86 176.31 3fjo h ARG 556 N -1.80 0.97 0.23 -0.72 2.43 -1.91 -2.31 114.38 111.28 3fjo h ARG 556 Ca -0.63 -0.40 -0.01 0.00 -0.81 0.00 0.00 59.98 58.13 3fjo h ARG 556 Cb 1.36 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.87 3fjo h ARG 556 CO 0.54 1.07 -0.11 0.93 -1.51 0.00 0.00 179.97 180.89 3fjo h GLU 557 N 0.84 -0.30 -0.72 0.20 3.07 -1.92 -2.77 114.58 112.98 3fjo h GLU 557 Ca 0.11 0.02 0.00 0.00 -0.50 0.00 0.00 59.36 59.00 3fjo h GLU 557 Cb 0.76 0.07 -0.04 0.00 -0.84 0.00 0.00 28.75 28.71 3fjo h GLU 557 CO 0.06 0.07 0.47 0.93 -1.40 0.00 0.00 179.01 179.14 3fjo h GLU 558 N -0.80 0.96 -0.29 2.33 3.07 -1.96 -0.07 114.58 117.83 3fjo h GLU 558 Ca -0.03 -0.07 -0.17 0.00 -0.50 0.00 0.00 59.36 58.59 3fjo h GLU 558 Cb 0.51 -0.21 -0.00 0.00 -0.84 0.00 0.00 28.75 28.21 3fjo h GLU 558 CO 0.05 0.65 -0.47 -0.07 -1.40 0.00 0.00 179.01 177.78 3fjo h LEU 559 N 0.98 0.92 -0.51 1.33 3.38 -1.52 0.12 115.31 120.01 3fjo h LEU 559 Ca 0.26 -0.52 0.03 0.00 0.09 0.00 0.00 57.88 57.74 3fjo h LEU 559 Cb -0.09 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.37 3fjo h LEU 559 CO -0.05 1.26 0.30 0.00 0.09 0.00 0.00 178.44 180.03 3fjo h ALA 560 N 0.68 0.66 -0.38 1.53 0.00 -1.18 -0.68 119.26 119.90 3fjo h ALA 560 Ca 0.02 -0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.81 3fjo h ALA 560 Cb 1.07 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 3fjo h ALA 560 CO 0.11 -0.01 -0.25 0.37 0.00 0.00 0.00 179.25 179.46 3fjo h GLN 561 N 0.58 0.84 -0.36 0.00 5.75 -0.81 0.13 115.11 121.24 3fjo h GLN 561 Ca 0.21 -0.40 -0.02 0.00 -0.15 0.00 0.00 58.65 58.29 3fjo h GLN 561 Cb 0.05 -0.01 -0.02 0.00 1.07 0.00 0.00 27.48 28.57 3fjo h GLN 561 CO -0.11 1.03 0.12 0.74 -2.65 0.00 0.00 178.83 177.96 3fjo h PHE 562 N 0.64 0.51 -0.20 3.99 0.04 -0.65 0.14 116.94 121.40 3fjo h PHE 562 Ca 0.08 -0.02 -0.07 0.00 2.80 0.00 0.00 57.97 60.75 3fjo h PHE 562 Cb 0.82 -0.16 -0.00 0.00 2.20 0.00 0.00 35.95 38.81 3fjo h PHE 562 CO 0.06 0.42 -0.16 1.25 -0.60 0.00 0.00 178.31 179.28 3fjo h HIS 563 N 0.51 0.55 -0.55 -0.55 2.76 -0.76 0.23 115.15 117.35 3fjo h HIS 563 Ca 0.12 -0.15 0.08 0.00 -2.20 0.00 0.00 60.37 58.22 3fjo h HIS 563 Cb 0.14 -0.12 -0.07 0.00 1.55 0.00 0.00 27.41 28.92 3fjo h HIS 563 CO 0.01 0.80 0.18 0.00 -1.30 0.00 0.00 177.93 177.62 3fjo h ARG 564 N 0.14 0.35 0.00 5.26 3.08 -0.32 -1.44 114.38 121.45 3fjo h ARG 564 Ca 0.04 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.07 3fjo h ARG 564 Cb 0.69 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.66 3fjo h ARG 564 CO 0.04 0.23 0.00 -0.25 -1.07 0.00 0.00 179.97 178.92 3fjo n ASP 565 N -5.02 0.00 0.00 7.04 9.92 -0.00 -4.88 116.55 123.61 3fjo n ASP 565 Ca 0.07 -0.58 0.00 0.00 -0.53 0.00 0.00 54.79 53.75 3fjo n ASP 565 Cb 0.24 -0.11 0.00 0.00 -0.64 0.00 0.00 41.12 40.61 3fjo n ASP 565 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3fjo n GLY 566 N 0.86 0.67 0.21 0.44 0.00 -0.54 -4.90 105.19 101.94 3fjo n GLY 566 Ca 0.18 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.07 3fjo n GLY 566 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fjo h ALA 567 N 0.00 0.45 -2.63 4.61 0.00 -0.81 -3.37 119.26 117.51 3fjo h ALA 567 Ca 0.00 -0.37 -0.69 0.00 0.00 0.00 0.00 54.91 53.86 3fjo h ALA 567 Cb 0.00 -0.10 -0.19 0.00 0.00 0.00 0.00 17.79 17.49 3fjo h ALA 567 CO 0.00 0.40 -0.43 -1.17 0.00 0.00 0.00 179.25 178.05 3fjo s LEU 568 N -9.08 4.69 0.29 0.00 2.96 -0.59 -4.68 118.68 112.28 3fjo s LEU 568 Ca -0.12 -0.54 0.07 0.00 -0.22 0.00 0.00 54.13 53.31 3fjo s LEU 568 Cb 0.09 -2.18 0.45 0.00 0.50 0.00 0.00 46.19 45.05 3fjo s LEU 568 CO 0.82 -0.32 1.69 0.74 -1.32 0.00 0.00 176.35 177.95 3fjo h THR 569 N 5.55 1.33 -2.65 3.68 2.02 -1.56 -3.38 112.91 117.89 3fjo h THR 569 Ca -0.30 -1.60 -0.12 0.00 0.77 0.00 0.00 66.41 65.16 3fjo h THR 569 Cb 1.14 1.76 -0.27 0.00 -1.74 0.00 0.00 68.15 69.04 3fjo h THR 569 CO 0.67 0.47 -0.34 -1.10 0.37 0.00 0.00 175.52 175.60 3fjo s GLN 570 N -4.06 0.35 -0.45 6.66 -0.21 -1.21 -4.99 119.66 115.75 3fjo s GLN 570 Ca -0.04 0.82 -0.10 0.00 0.02 0.00 0.00 55.36 56.07 3fjo s GLN 570 Cb 0.13 0.05 0.10 0.00 1.00 0.00 0.00 33.01 34.29 3fjo s GLN 570 CO 0.77 -0.19 0.31 -1.17 -2.12 0.00 0.00 175.29 172.90 3fjo s LEU 571 N 1.72 5.46 -0.47 2.90 0.20 -1.26 -2.06 118.68 125.17 3fjo s LEU 571 Ca -0.07 -1.68 -0.15 0.00 0.69 0.00 0.00 54.13 52.92 3fjo s LEU 571 Cb -0.10 -2.02 0.08 0.00 -0.43 0.00 0.00 46.19 43.72 3fjo s LEU 571 CO -0.12 -0.63 0.38 0.20 -0.29 0.00 0.00 176.35 175.89 3fjo s ASN 572 N 2.45 6.07 -0.17 3.68 0.01 -0.54 -5.03 114.94 121.41 3fjo s ASN 572 Ca 0.04 -1.39 -0.07 0.00 -0.71 0.00 0.00 52.86 50.73 3fjo s ASN 572 Cb -0.25 -2.15 -0.04 0.00 0.41 0.00 0.00 41.25 39.22 3fjo s ASN 572 CO 0.01 -0.65 0.07 -0.69 -1.51 0.00 0.00 177.10 174.33 3fjo s VAL 573 N 1.60 4.83 -0.53 1.60 1.01 -1.26 -0.38 120.40 127.28 3fjo s VAL 573 Ca 0.04 -0.02 -0.03 0.00 0.00 0.00 0.00 61.98 61.96 3fjo s VAL 573 Cb -0.25 -3.16 0.14 0.00 0.00 0.00 0.00 36.38 33.11 3fjo s VAL 573 CO 0.06 0.49 0.34 0.00 0.00 0.00 0.00 175.10 175.98 3fjo s ALA 574 N 0.12 3.40 -0.18 5.51 0.00 -0.57 -4.98 121.76 125.05 3fjo s ALA 574 Ca 0.05 -2.92 -0.29 0.00 0.00 0.00 0.00 51.96 48.80 3fjo s ALA 574 Cb -0.12 -2.57 -0.00 0.00 0.00 0.00 0.00 23.12 20.43 3fjo s ALA 574 CO 0.01 -1.97 1.06 -0.06 0.00 0.00 0.00 175.76 174.79 3fjo s PHE 575 N 0.51 3.34 -0.04 0.00 0.08 -1.25 -3.06 117.98 117.57 3fjo s PHE 575 Ca 0.13 1.45 -0.22 0.00 0.12 0.00 0.00 56.93 58.41 3fjo s PHE 575 Cb -0.22 -3.27 -0.16 0.00 -0.57 0.00 0.00 43.02 38.80 3fjo s PHE 575 CO -0.04 -0.55 0.97 0.66 -0.10 0.00 0.00 175.22 176.16 3fjo h SER 576 N 7.41 -0.19 -1.38 1.36 4.64 -1.00 -3.36 113.55 121.02 3fjo h SER 576 Ca -0.24 -0.34 -0.68 0.00 -0.47 0.00 0.00 61.79 60.05 3fjo h SER 576 Cb 1.09 0.05 -0.12 0.00 -0.31 0.00 0.00 62.40 63.12 3fjo h SER 576 CO 0.94 0.33 1.75 -0.13 -0.87 0.00 0.00 176.83 178.85 3fjo s ARG 577 N -3.69 3.92 -0.58 4.77 0.52 -0.86 -1.21 118.95 121.83 3fjo s ARG 577 Ca -0.13 -2.01 -0.19 0.00 -0.52 0.00 0.00 55.73 52.88 3fjo s ARG 577 Cb 0.01 -5.33 0.09 0.00 0.52 0.00 0.00 34.95 30.24 3fjo s ARG 577 CO 0.51 -2.08 0.70 -1.58 0.02 0.00 0.00 175.30 172.87 3fjo s HIS 581 N 3.49 3.00 -1.52 -0.53 2.46 -1.26 -5.01 115.29 115.92 3fjo s HIS 581 Ca 0.48 -0.87 -0.03 0.00 0.47 0.00 0.00 55.06 55.11 3fjo s HIS 581 Cb 0.01 -3.93 0.03 0.00 -0.13 0.00 0.00 32.58 28.55 3fjo s HIS 581 CO 0.02 -1.26 0.30 1.63 -2.47 0.00 0.00 174.74 172.96 3fjo n LYS 582 N 6.34 -2.24 -2.84 2.88 4.76 -0.35 -4.88 118.16 121.83 3fjo n LYS 582 Ca -0.09 0.27 -0.43 0.00 -2.87 0.00 0.00 58.31 55.19 3fjo n LYS 582 Cb 0.43 -4.23 -0.03 0.00 -1.84 0.00 0.00 35.03 29.36 3fjo n LYS 582 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 3fjo s VAL 583 N -4.02 4.46 0.62 -0.18 1.01 -1.23 -5.00 120.40 116.06 3fjo s VAL 583 Ca 0.12 -1.04 -0.03 0.00 0.00 0.00 0.00 61.98 61.03 3fjo s VAL 583 Cb -0.07 -4.80 0.04 0.00 0.00 0.00 0.00 36.38 31.56 3fjo s VAL 583 CO 0.94 -1.57 0.90 -0.31 0.00 0.00 0.00 175.10 175.06 3fjo s TYR 584 N 3.52 2.96 0.52 5.22 2.02 -1.26 -3.47 117.35 126.86 3fjo s TYR 584 Ca 0.32 0.30 0.23 0.00 -0.37 0.00 0.00 57.07 57.55 3fjo s TYR 584 Cb -0.08 -2.93 1.47 0.00 -0.40 0.00 0.00 41.96 40.02 3fjo s TYR 584 CO -0.03 -1.09 2.15 -0.39 -1.57 0.00 0.00 175.55 174.62 3fjo h VAL 585 N -0.26 0.76 -0.95 0.71 -1.51 -1.87 -2.86 116.25 110.27 3fjo h VAL 585 Ca -0.44 -0.21 0.16 0.00 -1.23 0.00 0.00 66.70 64.98 3fjo h VAL 585 Cb 1.30 1.12 -0.10 0.00 -2.13 0.00 0.00 31.29 31.48 3fjo h VAL 585 CO 0.57 0.05 0.56 1.56 -1.23 0.00 0.00 177.57 179.08 3fjo h GLN 586 N 0.00 0.75 -0.05 5.19 7.50 -1.95 -1.17 115.11 125.38 3fjo h GLN 586 Ca -0.00 -0.04 -0.17 0.00 0.50 0.00 0.00 58.65 58.94 3fjo h GLN 586 Cb 0.12 -0.17 -0.01 0.00 0.05 0.00 0.00 27.48 27.47 3fjo h GLN 586 CO 0.01 0.49 -0.70 0.45 -1.50 0.00 0.00 178.83 177.58 3fjo h HIS 587 N 0.77 0.36 -0.32 2.96 3.86 -1.91 -1.38 115.15 119.49 3fjo h HIS 587 Ca 0.52 -0.16 -0.11 0.00 -1.16 0.00 0.00 60.37 59.47 3fjo h HIS 587 Cb 0.72 -0.06 -0.01 0.00 1.06 0.00 0.00 27.41 29.12 3fjo h HIS 587 CO -0.03 0.88 -0.24 -0.07 0.86 0.00 0.00 177.93 179.33 3fjo h LEU 588 N 0.18 0.63 -0.20 2.43 3.38 -1.42 0.38 115.31 120.69 3fjo h LEU 588 Ca -0.02 -0.22 -0.04 0.00 0.09 0.00 0.00 57.88 57.69 3fjo h LEU 588 Cb 1.26 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.83 3fjo h LEU 588 CO 0.11 0.86 -0.03 -0.07 0.09 0.00 0.00 178.44 179.40 3fjo h LEU 589 N 0.55 0.38 -0.51 1.67 3.38 -1.06 -1.64 115.31 118.09 3fjo h LEU 589 Ca 0.08 -0.35 -0.03 0.00 0.09 0.00 0.00 57.88 57.67 3fjo h LEU 589 Cb 0.70 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.33 3fjo h LEU 589 CO 0.05 0.64 0.20 0.11 0.09 0.00 0.00 178.44 179.54 3fjo h LYS 590 N 0.11 0.77 -0.12 1.13 1.79 -1.16 -2.36 116.57 116.73 3fjo h LYS 590 Ca 0.05 -0.14 0.05 0.00 -2.18 0.00 0.00 60.65 58.43 3fjo h LYS 590 Cb 0.47 -0.12 -0.06 0.00 -1.58 0.00 0.00 32.23 30.94 3fjo h LYS 590 CO 0.02 0.68 -0.27 0.37 -1.08 0.00 0.00 179.45 179.17 3fjo h GLN 591 N 0.69 -0.33 -0.90 3.15 4.15 -0.20 -2.34 115.11 119.31 3fjo h GLN 591 Ca 0.17 0.02 -0.00 0.00 0.77 0.00 0.00 58.65 59.61 3fjo h GLN 591 Cb 0.20 0.08 -0.00 0.00 0.21 0.00 0.00 27.48 27.97 3fjo h GLN 591 CO -0.01 -0.22 0.00 -0.25 -1.93 0.00 0.00 178.83 176.42 3fjo n ASP 592 N -5.38 2.11 -0.27 -0.69 8.00 -0.62 -4.58 116.55 115.11 3fjo n ASP 592 Ca -0.03 -2.22 0.00 0.00 0.71 0.00 0.00 54.79 53.25 3fjo n ASP 592 Cb 0.30 -0.54 0.13 0.00 -0.02 0.00 0.00 41.12 40.98 3fjo n ASP 592 CO 0.00 0.00 0.00 0.08 -0.39 0.00 0.00 177.20 176.89 3fjo h ARG 593 N 0.92 0.77 -0.30 -1.24 0.11 -0.87 -1.86 114.38 111.91 3fjo h ARG 593 Ca 0.00 -0.05 0.05 0.00 0.10 0.00 0.00 59.98 60.08 3fjo h ARG 593 Cb 0.85 -0.17 -0.05 0.00 1.11 0.00 0.00 29.97 31.71 3fjo h ARG 593 CO 0.12 0.51 0.02 1.49 0.10 0.00 0.00 179.97 182.20 3fjo h GLU 594 N 0.79 0.11 -0.48 0.08 4.81 -1.84 -1.76 114.58 116.29 3fjo h GLU 594 Ca 0.34 -0.01 -0.09 0.00 -0.13 0.00 0.00 59.36 59.47 3fjo h GLU 594 Cb 0.22 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.56 3fjo h GLU 594 CO -0.19 0.07 -0.07 1.25 -0.73 0.00 0.00 179.01 179.33 3fjo h HIS 595 N 0.11 1.00 -0.51 0.92 2.76 -1.81 -3.17 115.15 114.44 3fjo h HIS 595 Ca 0.14 -0.20 -0.02 0.00 -2.20 0.00 0.00 60.37 58.09 3fjo h HIS 595 Cb 0.18 -0.25 -0.03 0.00 1.55 0.00 0.00 27.41 28.87 3fjo h HIS 595 CO -0.21 0.96 0.22 -0.07 -1.30 0.00 0.00 177.93 177.53 3fjo h LEU 596 N 0.75 0.65 -0.71 0.26 4.07 -1.01 -2.58 115.31 116.74 3fjo h LEU 596 Ca 0.13 -0.07 -0.10 0.00 0.08 0.00 0.00 57.88 57.92 3fjo h LEU 596 Cb 0.61 -0.17 -0.02 0.00 1.08 0.00 0.00 40.66 42.16 3fjo h LEU 596 CO 0.04 0.58 -0.12 -0.25 -1.08 0.00 0.00 178.44 177.60 3fjo h TRP 597 N 0.72 0.95 0.43 1.13 -0.00 -1.31 0.32 115.95 118.20 3fjo h TRP 597 Ca 0.18 -0.19 -0.02 0.00 -0.00 0.00 0.00 58.89 58.86 3fjo h TRP 597 Cb 0.11 -0.24 0.00 0.00 -0.00 0.00 0.00 29.16 29.03 3fjo h TRP 597 CO 0.01 0.93 -0.23 0.87 -0.00 0.00 0.00 178.44 180.01 3fjo h LYS 598 N 0.77 -0.59 -0.14 2.65 1.57 -1.47 0.66 116.57 120.01 3fjo h LYS 598 Ca 0.12 0.04 0.05 0.00 -1.87 0.00 0.00 60.65 58.99 3fjo h LYS 598 Cb 0.64 0.13 -0.06 0.00 0.08 0.00 0.00 32.23 33.02 3fjo h LYS 598 CO 0.04 -0.40 -0.27 -0.07 -0.57 0.00 0.00 179.45 178.19 3fjo h LEU 599 N -0.62 -0.83 -0.03 2.94 4.07 -1.37 0.28 115.31 119.75 3fjo h LEU 599 Ca -0.05 0.13 0.03 0.00 0.08 0.00 0.00 57.88 58.07 3fjo h LEU 599 Cb 0.49 0.37 -0.05 0.00 1.08 0.00 0.00 40.66 42.55 3fjo h LEU 599 CO 0.08 -0.31 -0.25 0.40 -1.08 0.00 0.00 178.44 177.28 3fjo h ILE 600 N -0.33 0.43 -0.26 1.22 2.04 -0.85 -0.02 117.51 119.73 3fjo h ILE 600 Ca 0.10 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.04 3fjo h ILE 600 Cb 0.49 0.43 -0.01 0.00 -0.74 0.00 0.00 36.82 36.99 3fjo h ILE 600 CO -0.33 0.00 0.21 -0.08 0.00 0.00 0.00 178.15 177.95 3fjo h GLU 601 N -0.37 0.00 -0.44 2.37 4.57 -0.51 0.26 114.58 120.46 3fjo h GLU 601 Ca 0.07 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.25 3fjo h GLU 601 Cb 0.47 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.06 3fjo h GLU 601 CO -0.24 0.00 0.00 0.41 -1.18 0.00 0.00 179.01 178.00 3fjo n GLY 602 N -1.53 0.65 1.23 1.92 0.00 0.94 -4.89 105.19 103.52 3fjo n GLY 602 Ca 0.03 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.82 3fjo n GLY 602 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fjo n GLY 603 N 0.60 0.71 3.74 -0.02 0.00 0.07 -4.82 105.19 105.48 3fjo n GLY 603 Ca 0.07 -0.65 -0.32 0.00 0.00 0.00 0.00 46.02 45.13 3fjo n GLY 603 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fjo s ALA 604 N -2.00 2.13 -0.11 4.61 0.00 -0.68 -4.67 121.76 121.02 3fjo s ALA 604 Ca 0.00 0.50 -0.02 0.00 0.00 0.00 0.00 51.96 52.44 3fjo s ALA 604 Cb 0.00 -3.35 -0.03 0.00 0.00 0.00 0.00 23.12 19.74 3fjo s ALA 604 CO 0.00 -1.86 -0.02 -1.01 0.00 0.00 0.00 175.76 172.86 3fjo s HIS 605 N -2.56 3.07 -0.05 0.00 3.76 -0.36 -4.83 115.29 114.31 3fjo s HIS 605 Ca 0.66 -0.04 0.00 0.00 -0.15 0.00 0.00 55.06 55.53 3fjo s HIS 605 Cb -0.21 -1.85 -0.03 0.00 1.11 0.00 0.00 32.58 31.59 3fjo s HIS 605 CO 0.51 0.23 -0.02 0.42 -0.85 0.00 0.00 174.74 175.02 3fjo s ILE 606 N -0.32 4.04 -0.03 0.60 1.01 0.29 -0.49 121.20 126.30 3fjo s ILE 606 Ca 0.06 -0.45 0.01 0.00 0.00 0.00 0.00 60.65 60.26 3fjo s ILE 606 Cb -0.12 -2.72 0.02 0.00 0.01 0.00 0.00 42.46 39.65 3fjo s ILE 606 CO 0.02 0.52 -0.03 -0.31 0.00 0.00 0.00 174.94 175.15 3fjo s TYR 607 N -0.93 0.52 -0.11 3.97 1.51 0.18 -1.02 117.35 121.47 3fjo s TYR 607 Ca 0.15 -0.10 0.02 0.00 -1.01 0.00 0.00 57.07 56.12 3fjo s TYR 607 Cb -0.11 -0.49 0.02 0.00 -0.11 0.00 0.00 41.96 41.26 3fjo s TYR 607 CO 0.05 -0.13 -0.15 0.08 -1.11 0.00 0.00 175.55 174.28 3fjo s VAL 608 N 0.75 1.50 0.03 0.71 1.01 -0.44 -0.24 120.40 123.73 3fjo s VAL 608 Ca -0.09 -0.64 0.03 0.00 0.00 0.00 0.00 61.98 61.28 3fjo s VAL 608 Cb -0.12 -1.38 -0.02 0.00 0.00 0.00 0.00 36.38 34.86 3fjo s VAL 608 CO -0.01 0.44 -0.09 0.00 0.00 0.00 0.00 175.10 175.45 3fjo n GLY 610 N 1.80 1.41 0.15 0.00 0.00 -0.94 -4.08 105.19 103.54 3fjo n GLY 610 Ca -0.20 -1.31 -0.07 0.00 0.00 0.00 0.00 46.02 44.44 3fjo n GLY 610 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 3fjo h ASP 611 N 0.00 0.29 -3.82 1.61 3.04 -1.88 -0.86 116.42 114.80 3fjo h ASP 611 Ca 0.00 -0.19 -0.63 0.00 -3.24 0.00 0.00 57.03 52.96 3fjo h ASP 611 Cb 0.00 -0.09 -0.16 0.00 -1.04 0.00 0.00 39.33 38.04 3fjo h ASP 611 CO 0.00 0.91 -0.51 0.00 -2.04 0.00 0.00 179.24 177.61 3fjo s ALA 612 N -3.54 3.55 0.39 4.15 0.00 -1.26 -3.40 121.76 121.65 3fjo s ALA 612 Ca -0.04 -1.03 0.10 0.00 0.00 0.00 0.00 51.96 50.99 3fjo s ALA 612 Cb 0.11 -2.45 0.88 0.00 0.00 0.00 0.00 23.12 21.66 3fjo s ALA 612 CO 0.81 -0.47 1.93 -0.09 0.00 0.00 0.00 175.76 177.94 3fjo h ARG 613 N 8.16 0.59 -0.53 0.00 9.65 -1.88 -2.85 114.38 127.53 3fjo h ARG 613 Ca -0.36 -0.04 -0.12 0.00 -1.10 0.00 0.00 59.98 58.37 3fjo h ARG 613 Cb 1.18 -0.13 -0.02 0.00 -1.39 0.00 0.00 29.97 29.62 3fjo h ARG 613 CO 0.58 0.39 -0.14 -0.91 2.80 0.00 0.00 179.97 182.69 3fjo h ASN 614 N 0.61 1.03 -0.04 -3.80 -0.26 -1.94 -1.39 115.58 109.79 3fjo h ASN 614 Ca 0.35 -0.36 -0.00 0.00 -0.56 0.00 0.00 56.30 55.73 3fjo h ASN 614 Cb 0.55 -0.28 -0.00 0.00 -1.06 0.00 0.00 38.32 37.53 3fjo h ASN 614 CO -0.13 1.16 0.02 -0.03 -1.06 0.00 0.00 177.43 177.39 3fjo h MET 615 N 0.90 0.06 -0.97 0.81 4.05 -1.94 0.39 114.93 118.24 3fjo h MET 615 Ca 0.13 -0.01 0.18 0.00 -0.28 0.00 0.00 59.70 59.73 3fjo h MET 615 Cb 0.72 -0.01 -0.11 0.00 -0.80 0.00 0.00 31.60 31.40 3fjo h MET 615 CO 0.05 0.13 0.57 0.00 0.23 0.00 0.00 176.91 177.89 3fjo h ALA 616 N 0.93 1.58 -0.16 0.39 0.00 -1.42 0.18 119.26 120.75 3fjo h ALA 616 Ca 0.01 0.08 -0.19 0.00 0.00 0.00 0.00 54.91 54.82 3fjo h ALA 616 Cb 0.09 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 17.83 3fjo h ALA 616 CO -0.00 -0.07 -0.64 -0.09 0.00 0.00 0.00 179.25 178.45 3fjo h ARG 617 N 0.72 0.73 -0.63 0.00 2.43 -0.43 -1.04 114.38 116.16 3fjo h ARG 617 Ca 0.56 -0.56 -0.07 0.00 -0.81 0.00 0.00 59.98 59.09 3fjo h ARG 617 Cb 0.85 0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 30.49 3fjo h ARG 617 CO -0.39 1.18 0.11 -0.44 -1.51 0.00 0.00 179.97 178.92 3fjo h ASP 618 N 0.43 1.01 -0.35 -3.80 3.32 0.18 -0.29 116.42 116.92 3fjo h ASP 618 Ca -0.03 -0.26 -0.03 0.00 0.02 0.00 0.00 57.03 56.73 3fjo h ASP 618 Cb 1.27 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 40.54 3fjo h ASP 618 CO 0.14 1.01 0.10 0.58 -1.72 0.00 0.00 179.24 179.34 3fjo h VAL 619 N 0.96 1.22 -0.47 -1.35 2.07 -0.59 0.24 116.25 118.33 3fjo h VAL 619 Ca 0.19 -0.73 0.00 0.00 0.82 0.00 0.00 66.70 66.99 3fjo h VAL 619 Cb 0.43 1.02 -0.02 0.00 -1.52 0.00 0.00 31.29 31.20 3fjo h VAL 619 CO 0.01 0.25 0.31 -0.61 0.02 0.00 0.00 177.57 177.54 3fjo h GLN 620 N 0.42 0.63 -0.78 1.57 4.15 -1.08 -1.38 115.11 118.64 3fjo h GLN 620 Ca 0.11 -0.04 0.05 0.00 0.77 0.00 0.00 58.65 59.53 3fjo h GLN 620 Cb 0.28 -0.14 -0.05 0.00 0.21 0.00 0.00 27.48 27.78 3fjo h GLN 620 CO -0.00 0.43 0.49 -0.91 -1.93 0.00 0.00 178.83 176.91 3fjo h ASN 621 N 0.64 0.78 -0.46 -0.69 2.35 -0.83 0.40 115.58 117.76 3fjo h ASN 621 Ca 0.17 0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 55.93 3fjo h ASN 621 Cb -0.05 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.14 3fjo h ASN 621 CO -0.04 0.52 0.28 0.74 -1.65 0.00 0.00 177.43 177.28 3fjo h THR 622 N 0.92 1.14 -0.35 2.81 2.02 -0.55 -1.57 112.91 117.33 3fjo h THR 622 Ca 0.33 -0.33 -0.04 0.00 0.77 0.00 0.00 66.41 67.14 3fjo h THR 622 Cb 0.10 0.53 -0.02 0.00 -1.74 0.00 0.00 68.15 67.02 3fjo h THR 622 CO -0.14 0.15 0.04 -0.26 0.37 0.00 0.00 175.52 175.67 3fjo h PHE 623 N 0.62 0.54 -0.38 3.16 0.04 -0.90 -1.90 116.94 118.12 3fjo h PHE 623 Ca 0.17 -0.04 0.02 0.00 2.80 0.00 0.00 57.97 60.92 3fjo h PHE 623 Cb -0.01 -0.16 -0.03 0.00 2.20 0.00 0.00 35.95 37.95 3fjo h PHE 623 CO -0.03 0.50 0.20 1.88 -0.60 0.00 0.00 178.31 180.26 3fjo h TYR 624 N 0.51 0.36 -0.53 -0.55 0.05 -0.18 -1.96 116.97 114.68 3fjo h TYR 624 Ca 0.12 0.01 -0.08 0.00 0.05 0.00 0.00 58.73 58.83 3fjo h TYR 624 Cb 0.27 -0.11 -0.02 0.00 1.01 0.00 0.00 36.73 37.88 3fjo h TYR 624 CO 0.01 0.20 -0.00 -0.44 -1.05 0.00 0.00 178.16 176.87 3fjo h ASP 625 N 0.40 0.88 -0.29 3.88 3.32 -0.97 -1.53 116.42 122.11 3fjo h ASP 625 Ca 0.16 -0.23 -0.01 0.00 0.02 0.00 0.00 57.03 56.97 3fjo h ASP 625 Cb 0.05 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.35 3fjo h ASP 625 CO -0.10 0.94 0.14 0.40 -1.72 0.00 0.00 179.24 178.90 3fjo h ILE 626 N 0.84 1.15 -0.47 0.35 2.04 -1.10 0.10 117.51 120.43 3fjo h ILE 626 Ca 0.16 -0.44 -0.07 0.00 1.00 0.00 0.00 64.86 65.50 3fjo h ILE 626 Cb 0.50 0.91 -0.02 0.00 -0.74 0.00 0.00 36.82 37.47 3fjo h ILE 626 CO 0.02 0.16 -0.00 0.58 0.00 0.00 0.00 178.15 178.91 3fjo h VAL 627 N 0.34 1.24 0.57 1.67 2.07 -1.31 -0.92 116.25 119.91 3fjo h VAL 627 Ca 0.10 -0.98 -0.03 0.00 0.82 0.00 0.00 66.70 66.61 3fjo h VAL 627 Cb 0.12 0.88 0.01 0.00 -1.52 0.00 0.00 31.29 30.78 3fjo h VAL 627 CO -0.01 0.35 -0.28 0.00 0.02 0.00 0.00 177.57 177.65 3fjo h ALA 628 N 1.28 -0.77 0.34 1.67 0.00 -0.81 -1.44 119.26 119.52 3fjo h ALA 628 Ca 0.14 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 3fjo h ALA 628 Cb 0.44 0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.53 3fjo h ALA 628 CO 0.02 -0.93 -0.16 1.49 0.00 0.00 0.00 179.25 179.67 3fjo h GLU 629 N -0.78 -0.44 0.00 0.00 4.81 -0.93 -2.00 114.58 115.24 3fjo h GLU 629 Ca -0.08 0.03 -0.10 0.00 -0.13 0.00 0.00 59.36 59.08 3fjo h GLU 629 Cb 0.59 0.10 -0.01 0.00 0.63 0.00 0.00 28.75 30.06 3fjo h GLU 629 CO 0.13 -0.29 -0.49 -0.07 -0.73 0.00 0.00 179.01 177.56 3fjo h LEU 630 N -0.61 0.00 0.00 1.64 4.07 -1.30 -2.19 115.31 116.92 3fjo h LEU 630 Ca -0.05 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.91 3fjo h LEU 630 Cb 0.35 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.09 3fjo h LEU 630 CO 0.08 0.49 -0.31 1.23 -1.08 0.00 0.00 178.44 178.84 3fjo h GLY 631 N 1.67 0.00 -4.96 0.83 0.00 -1.39 -3.49 103.07 95.74 3fjo h GLY 631 Ca -0.00 0.00 -0.24 0.00 0.00 0.00 0.00 47.33 47.09 3fjo h GLY 631 CO 0.06 0.00 -0.65 0.00 0.00 0.00 0.00 176.54 175.95 3fjo n ALA 632 N -1.84 -1.85 -2.22 3.60 0.00 -0.82 -5.02 120.51 112.36 3fjo n ALA 632 Ca 0.04 0.03 -0.13 0.00 0.00 0.00 0.00 53.44 53.38 3fjo n ALA 632 Cb 0.45 -3.31 -0.10 0.00 0.00 0.00 0.00 19.45 16.48 3fjo n ALA 632 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3fjo s MET 633 N -4.64 1.09 0.55 0.00 0.23 -0.81 -5.06 119.30 110.66 3fjo s MET 633 Ca 0.17 -1.54 -0.19 0.00 -1.03 0.00 0.00 55.69 53.10 3fjo s MET 633 Cb -0.02 -0.08 -0.06 0.00 -1.53 0.00 0.00 34.83 33.14 3fjo s MET 633 CO 0.59 -0.20 1.12 -1.21 -2.03 0.00 0.00 175.02 173.29 3fjo s GLU 634 N -3.98 3.35 0.27 3.16 0.41 -1.26 -4.63 118.70 116.02 3fjo s GLU 634 Ca 0.26 1.57 0.01 0.00 -0.41 0.00 0.00 54.97 56.40 3fjo s GLU 634 Cb 0.07 -2.01 0.57 0.00 -1.78 0.00 0.00 34.13 30.98 3fjo s GLU 634 CO 0.05 -0.84 1.78 1.25 -0.49 0.00 0.00 175.26 177.01 3fjo h HIS 635 N 1.13 0.90 -0.81 1.61 2.76 -1.94 0.60 115.15 119.40 3fjo h HIS 635 Ca -0.50 0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 57.70 3fjo h HIS 635 Cb 1.26 -0.26 -0.04 0.00 1.55 0.00 0.00 27.41 29.91 3fjo h HIS 635 CO 0.52 0.25 0.47 0.00 -1.30 0.00 0.00 177.93 177.86 3fjo h ALA 636 N 1.57 1.30 -0.27 5.26 0.00 -1.98 -0.79 119.26 124.34 3fjo h ALA 636 Ca 0.49 -0.11 -0.13 0.00 0.00 0.00 0.00 54.91 55.17 3fjo h ALA 636 Cb 0.67 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 3fjo h ALA 636 CO -0.35 0.59 -0.37 1.96 0.00 0.00 0.00 179.25 181.08 3fjo h GLN 637 N 1.13 0.62 0.15 0.00 4.20 -1.34 -2.69 115.11 117.17 3fjo h GLN 637 Ca 0.29 -0.30 0.01 0.00 0.06 0.00 0.00 58.65 58.71 3fjo h GLN 637 Cb -0.01 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.74 3fjo h GLN 637 CO -0.05 0.89 -0.19 0.00 -0.67 0.00 0.00 178.83 178.81 3fjo h ALA 638 N 1.08 -0.35 -0.97 3.87 0.00 0.20 0.16 119.26 123.25 3fjo h ALA 638 Ca 0.05 -0.04 0.06 0.00 0.00 0.00 0.00 54.91 54.98 3fjo h ALA 638 Cb 0.88 0.29 -0.06 0.00 0.00 0.00 0.00 17.79 18.89 3fjo h ALA 638 CO 0.08 -0.73 0.63 -0.39 0.00 0.00 0.00 179.25 178.83 3fjo h VAL 639 N -0.39 1.09 0.00 0.00 -1.51 -1.21 -1.71 116.25 112.53 3fjo h VAL 639 Ca 0.01 -0.39 -0.08 0.00 -1.23 0.00 0.00 66.70 65.01 3fjo h VAL 639 Cb 0.39 -0.15 -0.01 0.00 -2.13 0.00 0.00 31.29 29.39 3fjo h VAL 639 CO -0.08 0.21 -0.39 -0.78 -1.23 0.00 0.00 177.57 175.30 3fjo h ASP 640 N 1.14 0.00 0.13 4.19 3.58 -1.12 0.06 116.42 124.40 3fjo h ASP 640 Ca 0.41 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.86 3fjo h ASP 640 Cb 0.15 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.21 3fjo h ASP 640 CO -0.16 0.39 -0.06 0.22 -2.88 0.00 0.00 179.24 176.75 3fjo h TYR 641 N 0.00 -0.17 -0.44 0.28 3.20 -0.18 -1.61 116.97 118.04 3fjo h TYR 641 Ca -0.00 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.86 3fjo h TYR 641 Cb 0.81 0.05 -0.02 0.00 1.54 0.00 0.00 36.73 39.11 3fjo h TYR 641 CO 0.00 0.23 0.26 0.82 -1.64 0.00 0.00 178.16 177.83 3fjo h ILE 642 N -0.61 1.13 -0.35 1.81 1.08 -1.21 -0.34 117.51 119.02 3fjo h ILE 642 Ca -0.02 -0.29 0.04 0.00 -0.39 0.00 0.00 64.86 64.20 3fjo h ILE 642 Cb 0.47 0.51 -0.04 0.00 -3.07 0.00 0.00 36.82 34.69 3fjo h ILE 642 CO 0.03 0.14 0.12 0.50 -0.69 0.00 0.00 178.15 178.24 3fjo h LYS 643 N 0.61 0.26 -0.63 2.37 3.64 -0.94 -1.77 116.57 120.11 3fjo h LYS 643 Ca 0.16 -0.02 0.04 0.00 -1.27 0.00 0.00 60.65 59.56 3fjo h LYS 643 Cb -0.02 -0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 31.70 3fjo h LYS 643 CO -0.03 0.17 0.37 0.87 -2.27 0.00 0.00 179.45 178.56 3fjo h LYS 644 N 0.27 0.70 -0.45 1.90 1.57 -0.08 -1.04 116.57 119.43 3fjo h LYS 644 Ca 0.16 -0.04 0.07 0.00 -1.87 0.00 0.00 60.65 58.97 3fjo h LYS 644 Cb 0.14 -0.16 -0.06 0.00 0.08 0.00 0.00 32.23 32.23 3fjo h LYS 644 CO -0.17 0.46 0.09 -0.07 -0.57 0.00 0.00 179.45 179.19 3fjo h LEU 645 N 0.72 0.00 -0.61 2.94 3.38 -0.98 -0.56 115.31 120.20 3fjo h LEU 645 Ca 0.26 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.32 3fjo h LEU 645 Cb 0.08 0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 3fjo h LEU 645 CO -0.13 0.03 0.39 0.24 0.09 0.00 0.00 178.44 179.07 3fjo h MET 646 N 0.22 0.81 -0.66 1.13 2.86 -0.44 0.39 114.93 119.25 3fjo h MET 646 Ca 0.22 -0.06 -0.03 0.00 -2.06 0.00 0.00 59.70 57.78 3fjo h MET 646 Cb 0.28 -0.18 -0.03 0.00 0.06 0.00 0.00 31.60 31.73 3fjo h MET 646 CO -0.29 0.55 0.30 1.15 1.06 0.00 0.00 176.91 179.68 3fjo h THR 647 N 0.83 1.23 0.00 2.22 2.02 -0.82 -1.75 112.91 116.64 3fjo h THR 647 Ca 0.22 -0.66 0.00 0.00 0.77 0.00 0.00 66.41 66.74 3fjo h THR 647 Cb -0.07 0.45 0.00 0.00 -1.74 0.00 0.00 68.15 66.79 3fjo h THR 647 CO -0.05 0.27 0.00 0.29 0.37 0.00 0.00 175.52 176.40 3fjo n LYS 648 N -4.46 0.06 -1.68 6.66 5.02 -0.25 -4.88 118.16 118.63 3fjo n LYS 648 Ca 0.05 0.25 0.00 0.00 -2.02 0.00 0.00 58.31 56.59 3fjo n LYS 648 Cb 0.14 -1.61 0.00 0.00 -0.02 0.00 0.00 35.03 33.54 3fjo n LYS 648 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3fjo n GLY 649 N 0.30 0.58 0.52 0.72 0.00 -0.22 -4.96 105.19 102.13 3fjo n GLY 649 Ca 0.04 -0.78 0.05 0.00 0.00 0.00 0.00 46.02 45.32 3fjo n GLY 649 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3fjo n ARG 650 N -1.12 2.14 -3.55 1.61 1.74 0.12 -4.78 116.66 112.82 3fjo n ARG 650 Ca 0.00 -1.73 -0.28 0.00 -0.77 0.00 0.00 57.85 55.07 3fjo n ARG 650 Cb 0.41 -1.23 -0.15 0.00 -1.02 0.00 0.00 32.46 30.47 3fjo n ARG 650 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 3fjo s TYR 651 N -0.95 0.29 0.03 -1.55 6.14 -1.19 -0.55 117.35 119.56 3fjo s TYR 651 Ca 0.18 -0.79 0.09 0.00 0.64 0.00 0.00 57.07 57.19 3fjo s TYR 651 Cb 0.10 -0.86 -0.03 0.00 0.42 0.00 0.00 41.96 41.59 3fjo s TYR 651 CO 0.14 -0.79 -0.26 -1.12 0.64 0.00 0.00 175.55 174.16 3fjo s SER 652 N 2.11 3.20 0.15 4.32 0.01 -0.19 -4.44 113.70 118.86 3fjo s SER 652 Ca 0.08 -0.55 0.11 0.00 1.31 0.00 0.00 55.95 56.90 3fjo s SER 652 Cb -0.16 -0.33 -0.04 0.00 0.21 0.00 0.00 66.02 65.70 3fjo s SER 652 CO -0.33 0.27 -0.26 -0.76 0.41 0.00 0.00 173.24 172.57 3fjo s LEU 653 N -1.14 2.38 -0.41 2.44 1.02 -1.26 -1.33 118.68 120.38 3fjo s LEU 653 Ca 0.12 -0.78 0.07 0.00 0.02 0.00 0.00 54.13 53.55 3fjo s LEU 653 Cb -0.10 -1.21 0.23 0.00 0.02 0.00 0.00 46.19 45.12 3fjo s LEU 653 CO 0.02 0.16 0.52 -0.67 0.02 0.00 0.00 176.35 176.39 3fjo n ASP 654 N 0.67 -0.36 -4.39 2.29 2.03 0.23 -4.95 116.55 112.08 3fjo n ASP 654 Ca -0.16 -2.68 -0.33 0.00 0.52 0.00 0.00 54.79 52.15 3fjo n ASP 654 Cb 0.54 -0.33 -0.14 0.00 -0.72 0.00 0.00 41.12 40.46 3fjo n ASP 654 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 3fjo s VAL 655 N -0.68 2.82 -2.10 5.18 -7.23 -1.26 -2.21 120.40 114.93 3fjo s VAL 655 Ca 0.34 -0.78 0.21 0.00 -1.81 0.00 0.00 61.98 59.94 3fjo s VAL 655 Cb 0.14 -2.12 0.55 0.00 0.56 0.00 0.00 36.38 35.52 3fjo s VAL 655 CO -0.14 0.56 1.48 0.79 -0.31 0.00 0.00 175.10 177.48 3fjo n TRP 656 N 2.91 0.79 -0.85 2.82 8.01 -0.33 -4.97 117.44 125.82 3fjo n TRP 656 Ca -0.18 -0.40 0.00 0.00 -1.31 0.00 0.00 57.50 55.62 3fjo n TRP 656 Cb 0.52 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.82 3fjo n TRP 656 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.69 175.55