#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1afr s PRO 20 N 0.00 4.25 0.30 2.12 0.02 -1.26 -4.98 135.00 135.45 1afr s PRO 20 Ca 0.00 1.93 -0.29 0.00 0.02 0.00 0.00 61.00 62.66 1afr s PRO 20 Cb 0.00 -2.88 -0.10 0.00 0.02 0.00 0.00 34.50 31.54 1afr s PRO 20 CO 0.00 -0.18 1.25 -2.14 -0.33 0.00 0.00 177.00 175.60 1afr s PRO 21 N -2.00 4.45 0.45 5.54 0.02 -1.26 -5.05 135.00 137.15 1afr s PRO 21 Ca 0.52 2.07 0.07 0.00 0.02 0.00 0.00 61.00 63.69 1afr s PRO 21 Cb -0.33 -3.12 -0.01 0.00 0.02 0.00 0.00 34.50 31.05 1afr s PRO 21 CO 0.43 -0.08 0.33 1.03 -0.33 0.00 0.00 177.00 178.38 1afr s ARG 22 N -1.48 2.36 0.33 5.54 0.52 -1.26 -4.85 118.95 120.10 1afr s ARG 22 Ca 0.49 -1.78 -0.28 0.00 -0.52 0.00 0.00 55.73 53.63 1afr s ARG 22 Cb -0.37 -2.17 -0.10 0.00 0.52 0.00 0.00 34.95 32.83 1afr s ARG 22 CO 0.48 -0.30 1.25 -1.21 0.02 0.00 0.00 175.30 175.53 1afr s GLU 23 N -4.11 4.37 0.00 3.54 0.41 -1.26 -4.95 118.70 116.70 1afr s GLU 23 Ca 0.42 2.08 0.24 0.00 -0.41 0.00 0.00 54.97 57.30 1afr s GLU 23 Cb -0.01 -3.04 0.31 0.00 -1.78 0.00 0.00 34.13 29.60 1afr s GLU 23 CO 0.24 -0.12 1.33 1.33 -0.49 0.00 0.00 175.26 177.55 1afr n VAL 24 N 0.78 0.05 -4.16 2.63 0.24 -1.26 -4.97 118.33 111.65 1afr n VAL 24 Ca 0.00 -0.50 -0.26 0.00 -2.04 0.00 0.00 64.34 61.54 1afr n VAL 24 Cb 0.43 1.34 -0.07 0.00 -1.47 0.00 0.00 33.84 34.07 1afr n VAL 24 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 1afr s HIS 25 N -1.95 2.97 0.23 6.34 3.76 -1.26 -5.09 115.29 120.29 1afr s HIS 25 Ca 0.30 -0.09 -0.30 0.00 -0.15 0.00 0.00 55.06 54.82 1afr s HIS 25 Cb 0.20 -1.43 -0.09 0.00 1.11 0.00 0.00 32.58 32.37 1afr s HIS 25 CO 0.30 0.52 1.34 0.14 -0.85 0.00 0.00 174.74 176.20 1afr s VAL 26 N -1.75 2.98 -0.89 -0.90 -7.23 -1.26 -4.91 120.40 106.44 1afr s VAL 26 Ca 0.29 0.84 -0.24 0.00 -1.81 0.00 0.00 61.98 61.05 1afr s VAL 26 Cb -0.10 -3.54 -0.02 0.00 0.56 0.00 0.00 36.38 33.29 1afr s VAL 26 CO 0.21 0.14 1.81 -1.58 -0.31 0.00 0.00 175.10 175.36 1afr s GLN 27 N -0.45 2.81 -0.11 4.82 0.74 -1.26 -4.95 119.66 121.25 1afr s GLN 27 Ca 0.56 -0.37 -0.19 0.00 0.05 0.00 0.00 55.36 55.41 1afr s GLN 27 Cb -0.38 -5.03 -0.04 0.00 1.10 0.00 0.00 33.01 28.66 1afr s GLN 27 CO 0.42 -3.02 0.50 0.08 -0.55 0.00 0.00 175.29 172.72 1afr s VAL 28 N 8.73 5.17 0.05 1.34 1.01 -1.26 -5.07 120.40 130.36 1afr s VAL 28 Ca 0.63 1.00 0.06 0.00 0.00 0.00 0.00 61.98 63.67 1afr s VAL 28 Cb -0.06 -3.84 -0.03 0.00 0.00 0.00 0.00 36.38 32.46 1afr s VAL 28 CO 0.00 0.33 -0.18 0.42 0.00 0.00 0.00 175.10 175.67 1afr s THR 29 N 0.57 1.41 -1.22 3.92 -4.23 -1.26 -4.35 115.64 110.48 1afr s THR 29 Ca 0.27 -1.17 -0.01 0.00 -1.18 0.00 0.00 61.69 59.61 1afr s THR 29 Cb -0.15 -1.26 -0.00 0.00 1.34 0.00 0.00 72.50 72.42 1afr s THR 29 CO 0.11 0.06 0.91 1.41 -0.54 0.00 0.00 174.62 176.58 1afr n HIS 30 N 1.74 -2.13 1.23 3.99 8.25 -0.07 -4.93 115.22 123.31 1afr n HIS 30 Ca -0.18 0.90 0.13 0.00 -0.26 0.00 0.00 57.72 58.31 1afr n HIS 30 Cb 0.54 -4.83 0.66 0.00 1.12 0.00 0.00 29.99 27.48 1afr n HIS 30 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1afr n SER 31 N -3.11 0.00 -4.69 0.41 3.41 -0.90 -4.78 113.62 103.97 1afr n SER 31 Ca -0.28 -0.07 -0.38 0.00 -0.26 0.00 0.00 58.87 57.89 1afr n SER 31 Cb 0.67 -0.29 -0.07 0.00 -0.26 0.00 0.00 64.21 64.25 1afr n SER 31 CO 0.00 0.00 0.00 -0.32 -0.16 0.00 0.00 175.04 174.56 1afr s MET 32 N -2.59 4.21 -0.12 4.33 0.00 -1.26 -5.04 119.30 118.84 1afr s MET 32 Ca 0.24 0.22 -0.36 0.00 0.00 0.00 0.00 55.69 55.79 1afr s MET 32 Cb 0.18 -3.50 -0.13 0.00 0.00 0.00 0.00 34.83 31.37 1afr s MET 32 CO 0.40 0.04 1.80 -2.30 0.00 0.00 0.00 175.02 174.97 1afr n PRO 33 N 4.19 1.85 -0.29 4.11 -0.02 -1.26 -4.87 135.00 138.71 1afr n PRO 33 Ca -0.09 0.68 0.34 0.00 -2.02 0.00 0.00 63.50 62.41 1afr n PRO 33 Cb 0.51 -2.46 0.67 0.00 -0.02 0.00 0.00 33.50 32.19 1afr n PRO 33 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1afr h PRO 34 N 8.23 0.00 -0.28 0.52 0.11 -1.96 0.34 132.00 138.97 1afr h PRO 34 Ca -0.48 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.52 1afr h PRO 34 Cb 1.29 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.38 1afr h PRO 34 CO 0.94 0.00 -0.30 -0.56 -0.21 0.00 0.00 178.00 177.87 1afr h GLN 35 N 0.00 0.57 0.00 1.05 3.07 -2.05 -2.97 115.11 114.78 1afr h GLN 35 Ca 0.55 -0.25 0.00 0.00 0.09 0.00 0.00 58.65 59.04 1afr h GLN 35 Cb 2.58 -0.02 0.00 0.00 0.08 0.00 0.00 27.48 30.12 1afr h GLN 35 CO -0.01 0.81 0.00 1.63 0.09 0.00 0.00 178.83 181.36 1afr n LYS 36 N -4.08 0.08 0.10 0.06 5.02 0.12 -2.51 118.16 116.95 1afr n LYS 36 Ca -0.01 0.38 0.02 0.00 -2.02 0.00 0.00 58.31 56.69 1afr n LYS 36 Cb 0.45 -1.67 0.39 0.00 -0.02 0.00 0.00 35.03 34.18 1afr n LYS 36 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 1afr h ILE 37 N 0.00 1.16 0.00 -0.18 2.04 -1.65 -2.43 117.51 116.46 1afr h ILE 37 Ca 0.00 -0.69 -0.03 0.00 1.00 0.00 0.00 64.86 65.14 1afr h ILE 37 Cb 0.23 1.10 -0.00 0.00 -0.74 0.00 0.00 36.82 37.40 1afr h ILE 37 CO 0.00 0.22 -0.13 -0.33 0.00 0.00 0.00 178.15 177.91 1afr h GLU 38 N 0.28 0.00 -0.73 2.37 4.39 -1.70 -1.66 114.58 117.53 1afr h GLU 38 Ca 0.06 0.00 0.05 0.00 0.34 0.00 0.00 59.36 59.81 1afr h GLU 38 Cb 0.31 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.92 1afr h GLU 38 CO 0.01 0.13 0.48 0.82 -1.16 0.00 0.00 179.01 179.30 1afr h ILE 39 N 0.00 1.06 0.06 3.13 2.04 -1.64 -1.01 117.51 121.15 1afr h ILE 39 Ca -0.00 -0.28 -0.25 0.00 1.00 0.00 0.00 64.86 65.32 1afr h ILE 39 Cb 0.26 0.17 0.01 0.00 -0.74 0.00 0.00 36.82 36.52 1afr h ILE 39 CO 0.02 0.15 -1.08 -0.26 0.00 0.00 0.00 178.15 176.98 1afr h PHE 40 N 0.82 0.68 -0.81 1.37 0.04 -1.44 -1.55 116.94 116.05 1afr h PHE 40 Ca 0.31 -0.41 -0.02 0.00 2.80 0.00 0.00 57.97 60.64 1afr h PHE 40 Cb 0.17 -0.06 -0.04 0.00 2.20 0.00 0.00 35.95 38.22 1afr h PHE 40 CO -0.00 1.26 0.41 0.87 -0.60 0.00 0.00 178.31 180.25 1afr h LYS 41 N 0.21 1.15 0.18 1.51 1.79 -1.13 -2.77 116.57 117.52 1afr h LYS 41 Ca -0.12 -0.15 -0.01 0.00 -2.18 0.00 0.00 60.65 58.19 1afr h LYS 41 Cb 1.74 -0.22 0.00 0.00 -1.58 0.00 0.00 32.23 32.18 1afr h LYS 41 CO 0.19 0.87 -0.09 0.77 -1.08 0.00 0.00 179.45 180.11 1afr h SER 42 N 1.15 -0.21 0.00 0.86 0.02 -1.17 -3.06 113.55 111.14 1afr h SER 42 Ca 0.28 -0.24 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 1afr h SER 42 Cb 0.08 0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.67 1afr h SER 42 CO -0.04 0.14 0.02 0.18 -1.14 0.00 0.00 176.83 175.99 1afr n LEU 43 N -5.05 0.00 -0.20 5.07 4.77 -0.59 -3.41 117.00 117.60 1afr n LEU 43 Ca -0.09 0.21 -0.02 0.00 -0.03 0.00 0.00 56.01 56.09 1afr n LEU 43 Cb 0.23 -0.21 0.05 0.00 -2.33 0.00 0.00 43.42 41.15 1afr n LEU 43 CO 0.32 -0.21 0.72 -0.78 -1.33 0.00 0.00 177.39 176.11 1afr h ASP 44 N 0.00 -0.66 -0.53 -1.43 1.82 -1.39 0.14 116.42 114.36 1afr h ASP 44 Ca 0.00 0.19 -0.11 0.00 -0.39 0.00 0.00 57.03 56.72 1afr h ASP 44 Cb 0.03 0.41 -0.02 0.00 0.68 0.00 0.00 39.33 40.44 1afr h ASP 44 CO 0.00 -0.22 -0.08 0.78 -1.61 0.00 0.00 179.24 178.11 1afr h ASN 45 N -0.04 0.99 -0.88 2.28 2.35 -1.83 -1.41 115.58 117.04 1afr h ASN 45 Ca 0.28 -0.34 0.00 0.00 -0.55 0.00 0.00 56.30 55.69 1afr h ASN 45 Cb 0.47 -0.27 -0.04 0.00 0.05 0.00 0.00 38.32 38.53 1afr h ASN 45 CO -0.63 1.10 0.56 -0.25 -1.65 0.00 0.00 177.43 176.55 1afr h TRP 46 N 0.86 1.13 -0.28 1.19 7.01 -1.40 -2.12 115.95 122.34 1afr h TRP 46 Ca 0.14 0.01 -0.15 0.00 2.11 0.00 0.00 58.89 61.01 1afr h TRP 46 Cb 0.64 -0.38 -0.01 0.00 -2.10 0.00 0.00 29.16 27.32 1afr h TRP 46 CO 0.05 0.73 -0.42 0.00 -2.79 0.00 0.00 178.44 176.01 1afr h ALA 47 N 1.41 0.74 0.00 2.65 0.00 -0.48 0.23 119.26 123.81 1afr h ALA 47 Ca 0.32 -0.46 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 1afr h ALA 47 Cb -0.09 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 1afr h ALA 47 CO -0.06 0.66 -0.08 1.49 0.00 0.00 0.00 179.25 181.26 1afr h GLU 48 N 0.56 0.00 0.01 0.00 4.81 -0.73 0.28 114.58 119.52 1afr h GLU 48 Ca 0.04 0.00 -0.36 0.00 -0.13 0.00 0.00 59.36 58.91 1afr h GLU 48 Cb 0.96 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 30.27 1afr h GLU 48 CO 0.09 0.08 -2.26 0.39 -0.73 0.00 0.00 179.01 176.58 1afr n GLU 49 N -3.37 0.68 -0.00 1.92 1.02 -0.85 -4.45 120.64 115.58 1afr n GLU 49 Ca -0.01 0.10 0.03 0.00 -0.02 0.00 0.00 57.16 57.26 1afr n GLU 49 Cb 0.24 -1.58 -0.05 0.00 -0.02 0.00 0.00 31.44 30.03 1afr n GLU 49 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1afr n ASN 50 N -2.96 2.63 -0.07 1.62 5.03 0.04 -4.72 115.26 116.84 1afr n ASN 50 Ca -0.33 -0.17 -0.07 0.00 0.87 0.00 0.00 54.58 54.88 1afr n ASN 50 Cb 1.10 1.23 -0.02 0.00 -1.02 0.00 0.00 39.78 41.06 1afr n ASN 50 CO 0.00 0.00 0.00 -0.38 -1.83 0.00 0.00 177.26 175.05 1afr n ILE 51 N -1.58 1.40 0.00 2.41 2.08 0.88 -4.58 119.36 119.96 1afr n ILE 51 Ca -0.01 0.19 0.00 0.00 0.56 0.00 0.00 62.75 63.50 1afr n ILE 51 Cb 0.16 -2.20 0.00 0.00 -0.75 0.00 0.00 39.64 36.85 1afr n ILE 51 CO 0.00 0.00 0.00 0.18 0.56 0.00 0.00 176.55 177.29 1afr n LEU 52 N -4.23 0.00 0.07 1.39 4.77 -0.48 -0.43 117.00 118.09 1afr n LEU 52 Ca -0.11 0.26 0.13 0.00 -0.03 0.00 0.00 56.01 56.26 1afr n LEU 52 Cb 0.42 -0.26 0.38 0.00 -2.33 0.00 0.00 43.42 41.62 1afr n LEU 52 CO 0.17 -0.26 0.75 1.33 -1.33 0.00 0.00 177.39 178.05 1afr n VAL 53 N -1.24 0.42 1.68 4.08 0.24 -1.26 -3.37 118.33 118.89 1afr n VAL 53 Ca 0.00 -0.23 0.14 0.00 -2.04 0.00 0.00 64.34 62.21 1afr n VAL 53 Cb 0.04 -0.42 0.65 0.00 -1.47 0.00 0.00 33.84 32.63 1afr n VAL 53 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 1afr n HIS 54 N -2.07 0.03 -3.39 6.34 8.25 0.42 -4.81 115.22 119.99 1afr n HIS 54 Ca 0.05 -0.02 -0.38 0.00 -0.26 0.00 0.00 57.72 57.12 1afr n HIS 54 Cb 0.41 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.46 1afr n HIS 54 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1afr s LEU 55 N -1.89 4.31 -0.04 2.41 1.43 -1.22 -4.78 118.68 118.90 1afr s LEU 55 Ca 0.39 0.79 -0.26 0.00 -1.03 0.00 0.00 54.13 54.02 1afr s LEU 55 Cb 0.20 -2.61 -0.03 0.00 0.03 0.00 0.00 46.19 43.77 1afr s LEU 55 CO 0.32 0.09 0.79 -0.75 0.23 0.00 0.00 176.35 177.03 1afr s LYS 56 N 0.24 4.48 0.34 1.70 2.47 -1.26 -5.01 119.74 122.70 1afr s LYS 56 Ca 0.24 1.06 -0.28 0.00 -1.56 0.00 0.00 55.97 55.42 1afr s LYS 56 Cb -0.15 -3.45 -0.10 0.00 -1.46 0.00 0.00 37.83 32.67 1afr s LYS 56 CO 0.10 0.03 1.32 -1.25 0.16 0.00 0.00 175.35 175.70 1afr s PRO 57 N 0.87 4.29 0.28 4.03 0.04 -1.26 -4.86 135.00 138.39 1afr s PRO 57 Ca 0.42 2.24 -0.08 0.00 0.04 0.00 0.00 61.00 63.62 1afr s PRO 57 Cb -0.19 -3.03 0.46 0.00 0.04 0.00 0.00 34.50 31.79 1afr s PRO 57 CO 0.21 -0.25 1.56 0.28 0.04 0.00 0.00 177.00 178.85 1afr h VAL 58 N 2.97 0.02 0.00 -0.36 2.07 -1.96 0.37 116.25 119.36 1afr h VAL 58 Ca -0.49 -0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.02 1afr h VAL 58 Cb 1.23 0.02 -0.00 0.00 -1.52 0.00 0.00 31.29 31.02 1afr h VAL 58 CO 0.65 0.00 -0.02 -0.33 0.02 0.00 0.00 177.57 177.89 1afr h GLU 59 N 0.00 0.00 -0.34 1.57 4.39 -2.02 -2.09 114.58 116.08 1afr h GLU 59 Ca 0.48 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.18 1afr h GLU 59 Cb 0.74 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.39 1afr h GLU 59 CO -1.01 0.02 0.00 1.63 -1.16 0.00 0.00 179.01 178.49 1afr n LYS 60 N -3.20 3.37 -4.04 2.33 5.02 0.13 -4.99 118.16 116.78 1afr n LYS 60 Ca -0.02 -2.87 -0.32 0.00 -2.02 0.00 0.00 58.31 53.08 1afr n LYS 60 Cb 0.17 -1.91 -0.06 0.00 -0.02 0.00 0.00 35.03 33.21 1afr n LYS 60 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1afr s TRP 62 N -1.34 3.17 0.12 0.00 1.48 -1.26 -5.03 118.94 116.07 1afr s TRP 62 Ca 0.28 1.52 0.09 0.00 -1.06 0.00 0.00 56.10 56.92 1afr s TRP 62 Cb -0.12 -2.94 -0.04 0.00 -1.16 0.00 0.00 33.47 29.21 1afr s TRP 62 CO 0.20 -0.73 -0.21 -0.65 -4.06 0.00 0.00 176.95 171.49 1afr s GLN 63 N -3.83 1.18 0.30 3.25 -1.52 -1.26 -5.04 119.66 112.74 1afr s GLN 63 Ca 0.63 -1.23 0.02 0.00 -1.95 0.00 0.00 55.36 52.83 1afr s GLN 63 Cb -0.14 -1.44 0.75 0.00 -0.22 0.00 0.00 33.01 31.96 1afr s GLN 63 CO 0.30 0.33 1.59 -1.35 -0.25 0.00 0.00 175.29 175.91 1afr h PRO 64 N 3.91 0.05 0.00 2.91 0.11 -1.98 0.23 132.00 137.24 1afr h PRO 64 Ca -0.46 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1afr h PRO 64 Cb 1.18 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1afr h PRO 64 CO 0.41 0.03 0.17 0.37 -0.21 0.00 0.00 178.00 178.78 1afr h GLN 65 N 0.05 0.00 0.00 1.05 5.75 -1.96 -0.54 115.11 119.46 1afr h GLN 65 Ca 0.59 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 59.09 1afr h GLN 65 Cb 1.22 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.77 1afr h GLN 65 CO -0.85 0.00 0.00 -0.44 -2.65 0.00 0.00 178.83 174.89 1afr h ASP 66 N 0.00 0.00 0.00 -0.69 3.32 -0.94 -3.20 116.42 114.91 1afr h ASP 66 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1afr h ASP 66 Cb 0.34 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.89 1afr h ASP 66 CO 0.00 0.00 -0.02 0.49 -1.72 0.00 0.00 179.24 177.99 1afr n PHE 67 N -2.88 0.00 -4.37 4.55 3.72 -0.22 -5.05 117.46 113.22 1afr n PHE 67 Ca 0.01 -0.68 -0.20 0.00 -0.05 0.00 0.00 57.45 56.53 1afr n PHE 67 Cb 0.31 -0.09 -0.10 0.00 -0.94 0.00 0.00 39.48 38.66 1afr n PHE 67 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1afr s LEU 68 N -1.76 2.55 0.44 4.37 1.43 -1.20 -5.00 118.68 119.52 1afr s LEU 68 Ca 0.14 -1.01 -0.24 0.00 -1.03 0.00 0.00 54.13 51.99 1afr s LEU 68 Cb 0.12 -0.77 -0.09 0.00 0.03 0.00 0.00 46.19 45.48 1afr s LEU 68 CO 0.01 -0.12 1.14 -2.65 0.23 0.00 0.00 176.35 174.97 1afr n PRO 69 N -0.37 1.59 -3.02 1.29 -0.02 -1.26 -4.91 135.00 128.30 1afr n PRO 69 Ca -0.08 0.57 -0.43 0.00 -2.02 0.00 0.00 63.50 61.54 1afr n PRO 69 Cb 0.60 -2.23 -0.06 0.00 -0.02 0.00 0.00 33.50 31.79 1afr n PRO 69 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1afr s ASP 70 N -0.70 6.34 0.42 2.55 -1.08 -1.26 -4.93 116.67 118.01 1afr s ASP 70 Ca 0.64 -0.37 0.29 0.00 -0.52 0.00 0.00 52.55 52.59 1afr s ASP 70 Cb -0.52 -2.36 1.36 0.00 -1.46 0.00 0.00 42.92 39.95 1afr s ASP 70 CO 0.56 -0.93 1.89 1.55 0.52 0.00 0.00 175.17 178.76 1afr h PRO 71 N 9.01 0.00 -0.60 4.34 0.13 -1.95 -2.11 132.00 140.83 1afr h PRO 71 Ca -0.26 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.72 1afr h PRO 71 Cb 1.09 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.13 1afr h PRO 71 CO 0.96 0.00 0.16 0.00 -0.23 0.00 0.00 178.00 178.90 1afr n ALA 72 N -1.91 4.21 -2.52 -0.56 0.00 -1.26 -4.96 120.51 113.51 1afr n ALA 72 Ca 0.00 -2.38 -0.25 0.00 0.00 0.00 0.00 53.44 50.80 1afr n ALA 72 Cb 0.19 -1.09 -0.10 0.00 0.00 0.00 0.00 19.45 18.45 1afr n ALA 72 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1afr s SER 73 N -1.33 3.90 0.52 0.00 0.15 -0.79 -5.01 113.70 111.13 1afr s SER 73 Ca 0.52 -0.80 0.31 0.00 0.70 0.00 0.00 55.95 56.69 1afr s SER 73 Cb 0.42 -0.50 1.17 0.00 -1.71 0.00 0.00 66.02 65.40 1afr s SER 73 CO 0.12 0.07 1.91 0.44 1.20 0.00 0.00 173.24 176.98 1afr h ASP 74 N 2.62 0.00 -0.39 5.45 3.32 -1.93 -2.89 116.42 122.59 1afr h ASP 74 Ca -0.44 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.61 1afr h ASP 74 Cb 1.23 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.78 1afr h ASP 74 CO 0.55 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.68 1afr n GLY 75 N 0.23 1.32 0.43 2.75 0.00 -1.26 -4.50 105.19 104.16 1afr n GLY 75 Ca 0.01 -0.47 -0.16 0.00 0.00 0.00 0.00 46.02 45.40 1afr n GLY 75 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1afr h PHE 76 N 2.39 -1.18 -0.19 1.61 3.57 -1.66 -1.24 116.94 120.24 1afr h PHE 76 Ca 0.00 0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.57 1afr h PHE 76 Cb 0.77 0.47 -0.06 0.00 2.79 0.00 0.00 35.95 39.91 1afr h PHE 76 CO 0.37 -0.57 -0.25 -0.44 -2.23 0.00 0.00 178.31 175.20 1afr h ASP 77 N -0.80 -0.78 0.13 0.41 3.32 -1.86 0.09 116.42 116.92 1afr h ASP 77 Ca -0.02 0.13 -0.06 0.00 0.02 0.00 0.00 57.03 57.10 1afr h ASP 77 Cb 0.74 0.36 -0.01 0.00 0.22 0.00 0.00 39.33 40.64 1afr h ASP 77 CO -0.12 -0.29 -0.21 1.05 -1.72 0.00 0.00 179.24 177.95 1afr h GLU 78 N -0.28 0.15 -0.32 3.56 4.11 -1.86 0.60 114.58 120.54 1afr h GLU 78 Ca 0.12 -0.04 -0.05 0.00 0.07 0.00 0.00 59.36 59.46 1afr h GLU 78 Cb 0.47 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 1afr h GLU 78 CO -0.35 0.36 0.00 1.96 0.07 0.00 0.00 179.01 181.05 1afr h GLN 79 N 0.14 0.56 -0.41 1.06 4.20 -0.44 -0.83 115.11 119.38 1afr h GLN 79 Ca 0.02 -0.18 -0.07 0.00 0.06 0.00 0.00 58.65 58.49 1afr h GLN 79 Cb 0.45 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.17 1afr h GLN 79 CO 0.03 0.69 -0.03 0.28 -0.67 0.00 0.00 178.83 179.13 1afr h VAL 80 N 0.36 1.27 -0.41 -0.54 2.07 -0.68 -1.25 116.25 117.07 1afr h VAL 80 Ca 0.09 -1.07 0.03 0.00 0.82 0.00 0.00 66.70 66.57 1afr h VAL 80 Cb 0.43 1.15 -0.03 0.00 -1.52 0.00 0.00 31.29 31.32 1afr h VAL 80 CO 0.02 0.36 0.22 -0.09 0.02 0.00 0.00 177.57 178.09 1afr h ARG 81 N 0.56 0.43 -0.34 1.57 2.43 -0.76 -1.66 114.38 116.61 1afr h ARG 81 Ca 0.11 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.23 1afr h ARG 81 Cb 0.52 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.96 1afr h ARG 81 CO 0.03 0.28 0.12 0.93 -1.51 0.00 0.00 179.97 179.82 1afr h GLU 82 N 0.44 0.52 -0.86 0.20 5.08 -1.06 -0.98 114.58 117.92 1afr h GLU 82 Ca 0.17 -0.10 0.15 0.00 -1.00 0.00 0.00 59.36 58.58 1afr h GLU 82 Cb 0.06 -0.08 -0.09 0.00 0.50 0.00 0.00 28.75 29.14 1afr h GLU 82 CO -0.11 0.53 0.45 1.25 -1.00 0.00 0.00 179.01 180.13 1afr h LEU 83 N 0.40 0.55 -0.56 1.33 6.46 -0.79 -1.52 115.31 121.17 1afr h LEU 83 Ca 0.11 0.09 -0.15 0.00 -0.12 0.00 0.00 57.88 57.81 1afr h LEU 83 Cb 0.22 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 40.13 1afr h LEU 83 CO -0.01 0.23 -0.72 0.03 -0.62 0.00 0.00 178.44 177.35 1afr h ARG 84 N 0.63 0.02 -0.12 1.25 3.08 -0.93 -2.35 114.38 115.96 1afr h ARG 84 Ca 0.47 -0.02 -0.05 0.00 0.07 0.00 0.00 59.98 60.45 1afr h ARG 84 Cb 0.67 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.72 1afr h ARG 84 CO -0.36 0.73 -0.14 0.93 -1.07 0.00 0.00 179.97 180.06 1afr h GLU 85 N 0.01 0.31 -0.85 0.04 5.08 -0.27 -3.09 114.58 115.81 1afr h GLU 85 Ca -0.01 -0.17 0.01 0.00 -1.00 0.00 0.00 59.36 58.19 1afr h GLU 85 Cb 1.27 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 30.49 1afr h GLU 85 CO 0.10 0.72 0.55 0.00 -1.00 0.00 0.00 179.01 179.38 1afr h ARG 86 N -0.09 1.12 -0.03 2.33 3.08 -1.33 -2.25 114.38 117.22 1afr h ARG 86 Ca 0.02 -0.07 0.01 0.00 0.07 0.00 0.00 59.98 60.00 1afr h ARG 86 Cb 0.67 -0.25 -0.00 0.00 0.08 0.00 0.00 29.97 30.47 1afr h ARG 86 CO 0.03 0.75 0.05 0.00 -1.07 0.00 0.00 179.97 179.73 1afr h ALA 87 N 1.30 1.47 0.00 0.04 0.00 -1.39 0.94 119.26 121.63 1afr h ALA 87 Ca 0.31 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 55.13 1afr h ALA 87 Cb -0.12 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1afr h ALA 87 CO -0.07 -0.06 -0.42 0.87 0.00 0.00 0.00 179.25 179.58 1afr h LYS 88 N 0.00 0.00 0.00 0.00 1.57 -1.32 -2.54 116.57 114.28 1afr h LYS 88 Ca 0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1afr h LYS 88 Cb 0.11 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.42 1afr h LYS 88 CO -0.00 0.42 0.00 0.39 -0.57 0.00 0.00 179.45 179.68 1afr n GLU 89 N -3.60 0.25 -3.35 3.15 1.02 0.32 -4.71 120.64 113.72 1afr n GLU 89 Ca -0.00 0.29 -0.39 0.00 -0.02 0.00 0.00 57.16 57.04 1afr n GLU 89 Cb 0.52 -1.84 -0.08 0.00 -0.02 0.00 0.00 31.44 30.02 1afr n GLU 89 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1afr s ILE 90 N -3.18 5.16 0.62 -3.67 1.01 -0.96 -4.99 121.20 115.20 1afr s ILE 90 Ca 0.08 0.73 -0.17 0.00 0.00 0.00 0.00 60.65 61.29 1afr s ILE 90 Cb 0.11 -3.75 -0.02 0.00 0.01 0.00 0.00 42.46 38.81 1afr s ILE 90 CO 0.53 0.19 1.16 -2.16 0.00 0.00 0.00 174.94 174.66 1afr s PRO 91 N 1.74 2.87 0.54 2.79 0.04 -1.26 -4.88 135.00 136.84 1afr s PRO 91 Ca 0.19 1.64 0.24 0.00 0.04 0.00 0.00 61.00 63.12 1afr s PRO 91 Cb -0.15 -1.94 1.44 0.00 0.04 0.00 0.00 34.50 33.89 1afr s PRO 91 CO 0.09 -1.25 2.05 -0.44 0.04 0.00 0.00 177.00 177.49 1afr h ASP 92 N 0.51 0.00 -0.02 6.66 3.32 -1.97 -1.30 116.42 123.62 1afr h ASP 92 Ca -0.49 0.00 0.02 0.00 0.02 0.00 0.00 57.03 56.58 1afr h ASP 92 Cb 1.27 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.80 1afr h ASP 92 CO 0.54 0.00 -0.08 0.44 -1.72 0.00 0.00 179.24 178.42 1afr h ASP 93 N 0.00 -0.24 -0.24 6.45 3.32 -1.95 -0.93 116.42 122.83 1afr h ASP 93 Ca 0.16 0.04 -0.00 0.00 0.02 0.00 0.00 57.03 57.25 1afr h ASP 93 Cb 0.69 0.11 -0.01 0.00 0.22 0.00 0.00 39.33 40.33 1afr h ASP 93 CO -0.00 -0.12 0.14 0.22 -1.72 0.00 0.00 179.24 177.76 1afr h TYR 94 N -0.13 0.32 -0.64 4.55 5.03 -1.62 -2.98 116.97 121.50 1afr h TYR 94 Ca 0.04 -0.01 0.01 0.00 2.58 0.00 0.00 58.73 61.35 1afr h TYR 94 Cb 0.18 -0.10 -0.03 0.00 1.55 0.00 0.00 36.73 38.33 1afr h TYR 94 CO -0.16 0.27 0.42 0.74 -1.32 0.00 0.00 178.16 178.11 1afr h PHE 95 N 0.28 0.81 -0.89 -3.82 0.04 -1.21 0.01 116.94 112.16 1afr h PHE 95 Ca 0.08 0.02 -0.02 0.00 2.80 0.00 0.00 57.97 60.85 1afr h PHE 95 Cb 0.05 -0.27 -0.04 0.00 2.20 0.00 0.00 35.95 37.88 1afr h PHE 95 CO -0.04 0.52 0.48 0.28 -0.60 0.00 0.00 178.31 178.94 1afr h VAL 96 N 0.87 1.26 -0.04 -0.55 2.07 -1.02 0.11 116.25 118.95 1afr h VAL 96 Ca 0.24 -0.67 -0.03 0.00 0.82 0.00 0.00 66.70 67.06 1afr h VAL 96 Cb -0.09 0.06 0.00 0.00 -1.52 0.00 0.00 31.29 29.74 1afr h VAL 96 CO -0.05 0.30 -0.09 0.58 0.02 0.00 0.00 177.57 178.33 1afr h VAL 97 N 1.26 1.44 -0.94 2.57 2.07 -1.34 -1.46 116.25 119.85 1afr h VAL 97 Ca 0.31 -1.44 0.09 0.00 0.82 0.00 0.00 66.70 66.48 1afr h VAL 97 Cb 0.05 2.30 -0.07 0.00 -1.52 0.00 0.00 31.29 32.04 1afr h VAL 97 CO -0.05 0.39 0.58 0.25 0.02 0.00 0.00 177.57 178.77 1afr h LEU 98 N -0.40 0.89 -0.42 2.57 5.85 -0.87 0.79 115.31 123.72 1afr h LEU 98 Ca 0.00 0.03 -0.06 0.00 0.84 0.00 0.00 57.88 58.69 1afr h LEU 98 Cb 0.68 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.54 1afr h LEU 98 CO 0.02 0.53 0.02 0.58 -0.34 0.00 0.00 178.44 179.24 1afr h VAL 99 N 1.00 1.26 -0.65 1.05 2.07 -0.71 -1.04 116.25 119.22 1afr h VAL 99 Ca 0.44 -0.99 -0.04 0.00 0.82 0.00 0.00 66.70 66.92 1afr h VAL 99 Cb 0.31 1.07 -0.03 0.00 -1.52 0.00 0.00 31.29 31.12 1afr h VAL 99 CO -0.22 0.34 0.24 1.23 0.02 0.00 0.00 177.57 179.18 1afr h GLY 100 N 0.58 1.04 0.94 2.17 0.00 -0.31 -0.89 103.07 106.60 1afr h GLY 100 Ca 0.12 -0.56 -0.06 0.00 0.00 0.00 0.00 47.33 46.84 1afr h GLY 100 CO 0.02 0.53 0.04 -0.55 0.00 0.00 0.00 176.54 176.57 1afr h ASP 101 N 0.95 0.67 -0.36 0.19 3.32 -0.60 -2.56 116.42 118.03 1afr h ASP 101 Ca 0.22 -0.28 -0.02 0.00 0.02 0.00 0.00 57.03 56.97 1afr h ASP 101 Cb 0.21 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.57 1afr h ASP 101 CO -0.02 0.78 0.14 -0.03 -1.72 0.00 0.00 179.24 178.40 1afr h MET 102 N 0.53 0.54 -0.86 3.56 4.05 -0.93 -2.35 114.93 119.47 1afr h MET 102 Ca 0.12 -0.10 0.05 0.00 -0.28 0.00 0.00 59.70 59.49 1afr h MET 102 Cb 0.42 -0.09 -0.05 0.00 -0.80 0.00 0.00 31.60 31.08 1afr h MET 102 CO 0.01 0.53 0.56 0.82 0.23 0.00 0.00 176.91 179.06 1afr h ILE 103 N 0.44 1.09 -0.52 1.77 2.04 -1.11 -0.24 117.51 120.97 1afr h ILE 103 Ca 0.12 -0.34 -0.07 0.00 1.00 0.00 0.00 64.86 65.57 1afr h ILE 103 Cb 0.19 -0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.25 1afr h ILE 103 CO -0.01 0.18 0.05 0.74 0.00 0.00 0.00 178.15 179.11 1afr h THR 104 N 1.00 1.26 -0.35 -0.27 2.02 -1.25 -2.97 112.91 112.36 1afr h THR 104 Ca 0.36 -1.01 -0.02 0.00 0.77 0.00 0.00 66.41 66.51 1afr h THR 104 Cb 0.14 0.89 -0.01 0.00 -1.74 0.00 0.00 68.15 67.43 1afr h THR 104 CO -0.12 0.36 0.12 -0.33 0.37 0.00 0.00 175.52 175.92 1afr h GLU 105 N 0.76 0.53 -0.01 6.66 4.39 -0.75 -3.04 114.58 123.12 1afr h GLU 105 Ca 0.15 -0.11 0.00 0.00 0.34 0.00 0.00 59.36 59.75 1afr h GLU 105 Cb 0.45 -0.08 -0.00 0.00 -0.10 0.00 0.00 28.75 29.02 1afr h GLU 105 CO 0.02 0.54 0.02 0.93 -1.16 0.00 0.00 179.01 179.36 1afr h GLU 106 N 0.41 0.00 -0.99 2.33 4.39 -0.95 -2.62 114.58 117.14 1afr h GLU 106 Ca 0.11 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.80 1afr h GLU 106 Cb 0.22 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.87 1afr h GLU 106 CO -0.01 0.00 0.01 0.00 -1.16 0.00 0.00 179.01 177.86 1afr n ALA 107 N -2.20 2.58 -0.28 3.43 0.00 -1.13 -4.58 120.51 118.34 1afr n ALA 107 Ca -0.03 -0.08 0.09 0.00 0.00 0.00 0.00 53.44 53.42 1afr n ALA 107 Cb 0.10 -1.01 0.23 0.00 0.00 0.00 0.00 19.45 18.77 1afr n ALA 107 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1afr h LEU 108 N 0.58 0.01 -0.98 0.00 5.85 -1.68 -2.18 115.31 116.92 1afr h LEU 108 Ca 0.01 0.17 0.23 0.00 0.84 0.00 0.00 57.88 59.13 1afr h LEU 108 Cb 0.82 0.23 -0.12 0.00 0.37 0.00 0.00 40.66 41.95 1afr h LEU 108 CO 0.03 -0.09 0.56 -0.65 -0.34 0.00 0.00 178.44 177.95 1afr h PRO 109 N 0.25 0.56 -0.87 5.25 0.11 -1.91 0.20 132.00 135.59 1afr h PRO 109 Ca 0.48 -0.03 0.03 0.00 0.11 0.00 0.00 66.00 66.58 1afr h PRO 109 Cb 0.89 -0.13 -0.05 0.00 0.11 0.00 0.00 31.00 31.83 1afr h PRO 109 CO -0.58 0.37 0.57 1.15 -0.21 0.00 0.00 178.00 179.31 1afr h THR 110 N 0.58 1.17 -0.10 -1.15 2.02 -1.77 -1.09 112.91 112.57 1afr h THR 110 Ca 0.62 -0.38 -0.16 0.00 0.77 0.00 0.00 66.41 67.25 1afr h THR 110 Cb 1.14 -0.04 -0.01 0.00 -1.74 0.00 0.00 68.15 67.50 1afr h THR 110 CO -0.47 0.20 -0.64 1.88 0.37 0.00 0.00 175.52 176.86 1afr h TYR 111 N 1.12 0.49 -0.17 3.16 0.05 -0.71 -0.90 116.97 120.01 1afr h TYR 111 Ca 0.34 -0.20 -0.17 0.00 0.05 0.00 0.00 58.73 58.75 1afr h TYR 111 Cb -0.03 -0.08 -0.00 0.00 1.01 0.00 0.00 36.73 37.63 1afr h TYR 111 CO -0.00 0.91 -0.60 0.37 -1.05 0.00 0.00 178.16 177.79 1afr h GLN 112 N 0.27 0.56 -0.64 4.88 4.15 -0.84 -2.98 115.11 120.52 1afr h GLN 112 Ca -0.01 -0.38 -0.01 0.00 0.77 0.00 0.00 58.65 59.02 1afr h GLN 112 Cb 1.19 0.05 -0.03 0.00 0.21 0.00 0.00 27.48 28.90 1afr h GLN 112 CO 0.11 1.00 0.38 1.15 -1.93 0.00 0.00 178.83 179.53 1afr h THR 113 N 0.42 1.19 -0.79 2.39 2.02 -0.95 -1.44 112.91 115.76 1afr h THR 113 Ca -0.00 -0.44 0.08 0.00 0.77 0.00 0.00 66.41 66.82 1afr h THR 113 Cb 1.16 0.32 -0.07 0.00 -1.74 0.00 0.00 68.15 67.82 1afr h THR 113 CO 0.11 0.20 0.45 0.24 0.37 0.00 0.00 175.52 176.89 1afr h MET 114 N 0.87 0.75 -0.39 6.66 2.86 -1.04 -1.49 114.93 123.16 1afr h MET 114 Ca 0.23 -0.05 -0.13 0.00 -2.06 0.00 0.00 59.70 57.70 1afr h MET 114 Cb -0.01 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 31.47 1afr h MET 114 CO -0.04 0.50 -0.26 -0.07 1.06 0.00 0.00 176.91 178.10 1afr h LEU 115 N 0.77 0.91 0.00 1.22 3.38 -1.32 -2.88 115.31 117.39 1afr h LEU 115 Ca 0.37 -0.43 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1afr h LEU 115 Cb 0.31 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1afr h LEU 115 CO -0.23 1.14 0.00 0.59 0.09 0.00 0.00 178.44 180.03 1afr n ASN 116 N -4.18 0.00 0.03 -0.43 3.02 -0.58 -2.00 115.26 111.12 1afr n ASN 116 Ca -0.02 -0.52 0.11 0.00 -0.03 0.00 0.00 54.58 54.13 1afr n ASN 116 Cb 0.47 -0.06 0.05 0.00 -0.61 0.00 0.00 39.78 39.64 1afr n ASN 116 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1afr n THR 117 N -1.06 0.17 -2.18 3.41 -2.24 -0.65 -4.58 114.28 107.16 1afr n THR 117 Ca 0.14 -0.22 -0.43 0.00 -2.27 0.00 0.00 64.05 61.28 1afr n THR 117 Cb 0.09 0.20 -0.02 0.00 -2.10 0.00 0.00 70.33 68.49 1afr n THR 117 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1afr s LEU 118 N -3.86 4.01 0.19 3.22 1.43 -0.85 -4.47 118.68 118.36 1afr s LEU 118 Ca 0.05 1.68 -0.22 0.00 -1.03 0.00 0.00 54.13 54.61 1afr s LEU 118 Cb 0.15 -3.53 0.11 0.00 0.03 0.00 0.00 46.19 42.94 1afr s LEU 118 CO 0.78 -1.11 1.57 0.44 0.23 0.00 0.00 176.35 178.26 1afr h ASP 119 N 9.99 -1.43 1.47 2.29 3.32 -1.39 0.36 116.42 131.02 1afr h ASP 119 Ca -0.33 0.26 -0.11 0.00 0.02 0.00 0.00 57.03 56.88 1afr h ASP 119 Cb 1.14 0.69 -0.02 0.00 0.22 0.00 0.00 39.33 41.37 1afr h ASP 119 CO 0.99 -0.31 -0.50 1.23 -1.72 0.00 0.00 179.24 178.93 1afr h GLY 120 N -0.13 0.00 -0.50 2.75 0.00 -1.88 -3.37 103.07 99.93 1afr h GLY 120 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.57 1afr h GLY 120 CO -0.78 0.00 -0.39 3.33 0.00 0.00 0.00 176.54 178.70 1afr n VAL 121 N -3.23 0.00 -1.25 4.60 0.24 -0.95 -4.74 118.33 112.99 1afr n VAL 121 Ca 0.02 -0.30 -0.35 0.00 -2.04 0.00 0.00 64.34 61.67 1afr n VAL 121 Cb 0.73 1.13 0.11 0.00 -1.47 0.00 0.00 33.84 34.34 1afr n VAL 121 CO 0.00 0.00 0.00 -2.11 -2.14 0.00 0.00 176.83 172.58 1afr n ARG 122 N -0.45 0.38 -3.19 7.34 1.85 0.12 -4.25 116.66 118.47 1afr n ARG 122 Ca 0.05 0.20 -0.43 0.00 -1.00 0.00 0.00 57.85 56.67 1afr n ARG 122 Cb 0.28 -2.34 -0.07 0.00 -1.05 0.00 0.00 32.46 29.28 1afr n ARG 122 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 1afr s ASP 123 N -1.85 6.27 0.50 2.89 -1.08 -1.26 -4.80 116.67 117.34 1afr s ASP 123 Ca 0.74 -0.49 0.29 0.00 -0.52 0.00 0.00 52.55 52.56 1afr s ASP 123 Cb -0.32 -2.28 1.01 0.00 -1.46 0.00 0.00 42.92 39.87 1afr s ASP 123 CO 0.50 -0.71 1.86 -0.33 0.52 0.00 0.00 175.17 177.00 1afr h GLU 124 N 8.83 0.00 0.00 4.34 4.39 -1.95 -3.37 114.58 126.82 1afr h GLU 124 Ca -0.26 0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.33 1afr h GLU 124 Cb 1.10 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.73 1afr h GLU 124 CO 0.86 0.04 -1.41 0.25 -1.16 0.00 0.00 179.01 177.59 1afr n THR 125 N -3.13 0.42 0.00 1.13 -2.24 -1.26 -5.01 114.28 104.18 1afr n THR 125 Ca 0.01 -0.19 0.00 0.00 -2.27 0.00 0.00 64.05 61.61 1afr n THR 125 Cb 0.39 -0.79 0.00 0.00 -2.10 0.00 0.00 70.33 67.83 1afr n THR 125 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1afr n GLY 126 N 2.99 0.93 0.00 3.38 0.00 -1.26 -4.86 105.19 106.38 1afr n GLY 126 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.90 1afr n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1afr n ALA 127 N -1.11 0.72 -1.60 4.61 0.00 -1.26 -5.11 120.51 116.75 1afr n ALA 127 Ca 0.00 -0.09 -0.55 0.00 0.00 0.00 0.00 53.44 52.80 1afr n ALA 127 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.38 1afr n ALA 127 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1afr n SER 128 N 0.00 1.46 0.00 0.00 2.88 -1.26 -4.84 113.62 111.86 1afr n SER 128 Ca 0.00 1.12 0.01 0.00 -1.33 0.00 0.00 58.87 58.68 1afr n SER 128 Cb 0.43 -1.12 0.08 0.00 -0.75 0.00 0.00 64.21 62.84 1afr n SER 128 CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 1afr n PRO 129 N 2.85 0.51 -2.41 -1.46 -0.02 -1.26 -4.26 135.00 128.94 1afr n PRO 129 Ca 0.20 0.00 -0.36 0.00 -2.02 0.00 0.00 63.50 61.32 1afr n PRO 129 Cb 0.15 -1.08 -0.02 0.00 -0.02 0.00 0.00 33.50 32.53 1afr n PRO 129 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1afr s THR 130 N -2.00 3.46 0.28 3.45 -4.23 -1.26 -4.86 115.64 110.48 1afr s THR 130 Ca 0.04 1.05 0.01 0.00 -1.18 0.00 0.00 61.69 61.61 1afr s THR 130 Cb 0.02 -3.50 0.28 0.00 1.34 0.00 0.00 72.50 70.63 1afr s THR 130 CO 0.03 -0.07 1.82 0.28 -0.54 0.00 0.00 174.62 176.14 1afr h SER 131 N 2.01 0.85 -0.46 3.99 0.02 -1.89 0.11 113.55 118.18 1afr h SER 131 Ca -0.49 0.06 -0.06 0.00 -0.84 0.00 0.00 61.79 60.46 1afr h SER 131 Cb 1.23 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 63.65 1afr h SER 131 CO 0.60 0.42 0.05 -0.50 -1.14 0.00 0.00 176.83 176.26 1afr h TRP 132 N 0.91 0.85 -0.38 3.45 4.06 -1.90 -0.53 115.95 122.40 1afr h TRP 132 Ca 0.50 -0.13 -0.13 0.00 2.06 0.00 0.00 58.89 61.19 1afr h TRP 132 Cb 0.57 -0.23 -0.01 0.00 -1.00 0.00 0.00 29.16 28.49 1afr h TRP 132 CO -0.02 0.80 -0.29 0.00 -3.56 0.00 0.00 178.44 175.38 1afr h ALA 133 N 0.94 0.78 -0.75 1.49 0.00 -1.51 -1.69 119.26 118.53 1afr h ALA 133 Ca 0.14 -0.40 -0.04 0.00 0.00 0.00 0.00 54.91 54.60 1afr h ALA 133 Cb 0.43 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 1afr h ALA 133 CO 0.01 0.65 0.30 0.82 0.00 0.00 0.00 179.25 181.03 1afr h ILE 134 N 0.68 1.25 0.09 0.00 2.04 -0.57 -1.24 117.51 119.77 1afr h ILE 134 Ca 0.08 -0.79 -0.00 0.00 1.00 0.00 0.00 64.86 65.15 1afr h ILE 134 Cb 0.82 0.35 0.00 0.00 -0.74 0.00 0.00 36.82 37.26 1afr h ILE 134 CO 0.07 0.32 -0.04 -0.25 0.00 0.00 0.00 178.15 178.25 1afr h TRP 135 N 1.09 -0.11 -0.47 1.37 2.91 -0.88 -1.48 115.95 118.37 1afr h TRP 135 Ca 0.25 -0.00 0.10 0.00 1.13 0.00 0.00 58.89 60.36 1afr h TRP 135 Cb 0.20 0.04 -0.09 0.00 -0.51 0.00 0.00 29.16 28.80 1afr h TRP 135 CO 0.02 0.18 -0.15 1.15 -1.03 0.00 0.00 178.44 178.61 1afr h THR 136 N -0.40 0.48 -0.08 2.65 2.02 -0.98 0.44 112.91 117.03 1afr h THR 136 Ca -0.01 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.15 1afr h THR 136 Cb 0.34 0.48 -0.00 0.00 -1.74 0.00 0.00 68.15 67.22 1afr h THR 136 CO 0.02 0.00 -0.01 0.03 0.37 0.00 0.00 175.52 175.93 1afr h ARG 137 N -0.04 0.15 -0.68 6.66 3.08 -1.23 -2.29 114.38 120.05 1afr h ARG 137 Ca 0.23 -0.05 -0.06 0.00 0.07 0.00 0.00 59.98 60.17 1afr h ARG 137 Cb 0.38 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.39 1afr h ARG 137 CO -0.50 0.44 0.20 0.00 -1.07 0.00 0.00 179.97 179.03 1afr h ALA 138 N 0.71 1.06 -0.35 0.04 0.00 -0.94 -0.64 119.26 119.14 1afr h ALA 138 Ca 0.02 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.68 1afr h ALA 138 Cb 0.37 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1afr h ALA 138 CO 0.01 0.63 0.11 2.35 0.00 0.00 0.00 179.25 182.34 1afr h TRP 139 N 1.01 0.57 -0.54 0.00 7.01 -0.13 -1.69 115.95 122.17 1afr h TRP 139 Ca 0.22 -0.06 -0.00 0.00 2.11 0.00 0.00 58.89 61.16 1afr h TRP 139 Cb 0.31 -0.16 -0.03 0.00 -2.10 0.00 0.00 29.16 27.18 1afr h TRP 139 CO 0.02 0.56 0.33 1.15 -2.79 0.00 0.00 178.44 177.71 1afr h THR 140 N 0.42 1.17 -0.90 2.65 2.02 -1.21 -1.26 112.91 115.79 1afr h THR 140 Ca 0.11 -0.38 0.07 0.00 0.77 0.00 0.00 66.41 66.99 1afr h THR 140 Cb 0.26 0.43 -0.07 0.00 -1.74 0.00 0.00 68.15 67.03 1afr h THR 140 CO -0.00 0.17 0.56 0.00 0.37 0.00 0.00 175.52 176.62 1afr h ALA 141 N 1.16 1.26 -0.33 6.16 0.00 -0.81 -0.99 119.26 125.70 1afr h ALA 141 Ca 0.20 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 55.00 1afr h ALA 141 Cb -0.01 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 1afr h ALA 141 CO -0.04 0.30 -0.17 0.93 0.00 0.00 0.00 179.25 180.27 1afr h GLU 142 N 1.01 0.71 0.00 0.00 5.08 -0.99 -3.15 114.58 117.23 1afr h GLU 142 Ca 0.40 -0.31 -0.03 0.00 -1.00 0.00 0.00 59.36 58.42 1afr h GLU 142 Cb 0.22 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.44 1afr h GLU 142 CO -0.19 0.91 -0.15 0.93 -1.00 0.00 0.00 179.01 179.52 1afr h GLU 143 N 0.48 0.00 -0.01 2.33 4.39 -0.47 -2.86 114.58 118.44 1afr h GLU 143 Ca 0.07 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.75 1afr h GLU 143 Cb 0.71 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.35 1afr h GLU 143 CO 0.05 0.15 -0.12 -0.97 -1.16 0.00 0.00 179.01 176.96 1afr h ASN 144 N 0.00 0.01 0.94 1.42 -1.24 -1.16 -2.30 115.58 113.25 1afr h ASN 144 Ca -0.00 -0.00 -0.06 0.00 0.71 0.00 0.00 56.30 56.95 1afr h ASN 144 Cb 0.33 -0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.37 1afr h ASN 144 CO 0.02 0.13 -0.29 0.03 -1.29 0.00 0.00 177.43 176.04 1afr h ARG 145 N 0.01 0.00 -0.04 6.67 3.08 -1.63 -3.02 114.38 119.45 1afr h ARG 145 Ca 0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 1afr h ARG 145 Cb 0.22 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.27 1afr h ARG 145 CO 0.02 0.29 0.01 0.45 -1.07 0.00 0.00 179.97 179.66 1afr h HIS 146 N 0.00 0.07 -0.38 3.04 3.86 -1.56 -2.01 115.15 118.17 1afr h HIS 146 Ca -0.00 -0.01 -0.08 0.00 -1.16 0.00 0.00 60.37 59.12 1afr h HIS 146 Cb 0.83 -0.02 -0.01 0.00 1.06 0.00 0.00 27.41 29.27 1afr h HIS 146 CO 0.00 0.31 -0.08 0.78 0.86 0.00 0.00 177.93 179.80 1afr h GLY 147 N -0.19 0.78 0.99 2.45 0.00 -1.62 -2.54 103.07 102.94 1afr h GLY 147 Ca 0.01 -0.64 0.00 0.00 0.00 0.00 0.00 47.33 46.70 1afr h GLY 147 CO 0.00 0.59 0.26 -0.55 0.00 0.00 0.00 176.54 176.83 1afr h ASP 148 N 0.53 0.48 -0.02 0.19 5.19 -1.55 0.87 116.42 122.10 1afr h ASP 148 Ca 0.10 -0.04 -0.00 0.00 -0.62 0.00 0.00 57.03 56.47 1afr h ASP 148 Cb 0.59 -0.12 -0.00 0.00 0.18 0.00 0.00 39.33 39.98 1afr h ASP 148 CO 0.04 0.38 0.01 0.25 -3.12 0.00 0.00 179.24 176.79 1afr h LEU 149 N 0.54 0.03 -1.28 1.55 5.85 -1.39 -1.49 115.31 119.13 1afr h LEU 149 Ca 0.15 -0.18 -0.08 0.00 0.84 0.00 0.00 57.88 58.62 1afr h LEU 149 Cb -0.03 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 40.99 1afr h LEU 149 CO -0.03 0.20 -0.36 -0.07 -0.34 0.00 0.00 178.44 177.84 1afr h LEU 150 N -0.14 0.00 0.49 2.25 3.38 -1.41 -2.13 115.31 117.76 1afr h LEU 150 Ca 0.01 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1afr h LEU 150 Cb 0.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.93 1afr h LEU 150 CO -0.00 0.36 -0.24 -1.13 0.09 0.00 0.00 178.44 177.52 1afr h ASN 151 N 0.00 -0.56 -0.09 -0.43 -0.73 -0.64 -1.75 115.58 111.37 1afr h ASN 151 Ca -0.00 -0.07 0.02 0.00 1.87 0.00 0.00 56.30 58.12 1afr h ASN 151 Cb 0.64 0.15 -0.00 0.00 0.27 0.00 0.00 38.32 39.37 1afr h ASN 151 CO 0.05 -0.18 0.06 0.11 -0.37 0.00 0.00 177.43 177.10 1afr h LYS 152 N -1.03 0.04 0.17 6.67 6.56 -1.27 -1.60 116.57 126.11 1afr h LYS 152 Ca -0.07 -0.00 -0.01 0.00 -1.06 0.00 0.00 60.65 59.51 1afr h LYS 152 Cb 0.59 -0.01 0.00 0.00 -0.57 0.00 0.00 32.23 32.25 1afr h LYS 152 CO 0.11 0.03 -0.08 -0.92 -2.06 0.00 0.00 179.45 176.53 1afr h TYR 153 N 0.04 -0.21 -0.52 -1.35 3.20 -1.26 -2.42 116.97 114.45 1afr h TYR 153 Ca 0.04 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.90 1afr h TYR 153 Cb 0.10 0.07 -0.03 0.00 1.54 0.00 0.00 36.73 38.42 1afr h TYR 153 CO -0.00 0.15 0.32 -0.07 -1.64 0.00 0.00 178.16 176.92 1afr h LEU 154 N -0.62 0.61 0.31 2.82 3.38 -0.98 -2.23 115.31 118.61 1afr h LEU 154 Ca -0.02 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 1afr h LEU 154 Cb 0.46 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.06 1afr h LEU 154 CO 0.04 0.47 -0.15 0.22 0.09 0.00 0.00 178.44 179.11 1afr h TYR 155 N 0.71 -0.39 0.00 1.13 3.20 -1.29 -3.14 116.97 117.19 1afr h TYR 155 Ca 0.19 -0.01 -0.05 0.00 3.14 0.00 0.00 58.73 62.00 1afr h TYR 155 Cb -0.04 0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.36 1afr h TYR 155 CO 0.00 -0.17 -0.24 -0.07 -1.64 0.00 0.00 178.16 176.04 1afr h LEU 156 N -0.53 0.00 -1.17 2.82 3.38 -1.20 -3.20 115.31 115.41 1afr h LEU 156 Ca -0.04 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.94 1afr h LEU 156 Cb 0.39 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.10 1afr h LEU 156 CO 0.07 0.24 0.56 0.77 0.09 0.00 0.00 178.44 180.17 1afr h SER 157 N 0.00 0.96 0.00 -0.43 4.64 -1.35 -3.44 113.55 113.93 1afr h SER 157 Ca -0.00 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 1afr h SER 157 Cb 0.50 -0.24 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 1afr h SER 157 CO 0.03 0.69 0.00 0.61 -0.87 0.00 0.00 176.83 177.29 1afr n GLY 158 N -1.41 0.76 0.03 -0.77 0.00 -1.21 -4.75 105.19 97.85 1afr n GLY 158 Ca 0.10 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.24 1afr n GLY 158 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1afr n ARG 159 N -2.46 0.11 -4.37 1.61 5.12 -1.26 -4.95 116.66 110.45 1afr n ARG 159 Ca 0.00 -0.07 -0.19 0.00 -1.93 0.00 0.00 57.85 55.66 1afr n ARG 159 Cb 0.00 -1.50 -0.10 0.00 -1.16 0.00 0.00 32.46 29.70 1afr n ARG 159 CO 0.00 0.00 0.00 0.14 -1.93 0.00 0.00 177.63 175.84 1afr s VAL 160 N -2.94 1.20 -0.73 1.55 -7.23 -1.26 -4.83 120.40 106.16 1afr s VAL 160 Ca 0.12 -2.05 -0.17 0.00 -1.81 0.00 0.00 61.98 58.07 1afr s VAL 160 Cb 0.18 -2.45 0.14 0.00 0.56 0.00 0.00 36.38 34.81 1afr s VAL 160 CO 0.70 -0.26 0.81 -0.62 -0.31 0.00 0.00 175.10 175.42 1afr s ASP 161 N -3.37 6.44 0.46 4.85 -1.08 0.40 -4.91 116.67 119.46 1afr s ASP 161 Ca 0.30 -1.93 0.13 0.00 -0.52 0.00 0.00 52.55 50.53 1afr s ASP 161 Cb 0.06 -2.30 1.03 0.00 -1.46 0.00 0.00 42.92 40.26 1afr s ASP 161 CO 0.11 -0.95 2.03 0.24 0.52 0.00 0.00 175.17 177.12 1afr h MET 162 N 8.71 0.09 -0.66 4.34 2.86 -1.94 -2.29 114.93 126.04 1afr h MET 162 Ca -0.08 -0.01 -0.07 0.00 -2.06 0.00 0.00 59.70 57.48 1afr h MET 162 Cb 1.06 -0.02 -0.03 0.00 0.06 0.00 0.00 31.60 32.68 1afr h MET 162 CO 1.01 0.17 0.14 -0.09 1.06 0.00 0.00 176.91 179.20 1afr h ARG 163 N 0.09 1.07 -0.11 1.72 2.43 -1.97 0.24 114.38 117.85 1afr h ARG 163 Ca 0.02 -0.27 -0.15 0.00 -0.81 0.00 0.00 59.98 58.77 1afr h ARG 163 Cb 0.20 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.61 1afr h ARG 163 CO 0.01 0.97 -0.58 1.96 -1.51 0.00 0.00 179.97 180.82 1afr h GLN 164 N 1.00 0.36 -0.45 0.20 1.08 -1.78 -1.71 115.11 113.80 1afr h GLN 164 Ca 0.20 -0.24 -0.13 0.00 -1.45 0.00 0.00 58.65 57.03 1afr h GLN 164 Cb 0.40 0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 27.85 1afr h GLN 164 CO 0.01 0.84 -0.24 0.82 -0.95 0.00 0.00 178.83 179.30 1afr h ILE 165 N 0.27 1.27 -0.01 2.54 2.04 -1.15 -1.42 117.51 121.05 1afr h ILE 165 Ca -0.00 -1.41 -0.10 0.00 1.00 0.00 0.00 64.86 64.35 1afr h ILE 165 Cb 1.10 1.20 -0.01 0.00 -0.74 0.00 0.00 36.82 38.36 1afr h ILE 165 CO 0.10 0.48 -0.45 -0.33 0.00 0.00 0.00 178.15 177.95 1afr h GLU 166 N 0.81 0.03 -0.26 2.37 5.08 -0.83 -1.47 114.58 120.30 1afr h GLU 166 Ca 0.10 -0.01 -0.18 0.00 -1.00 0.00 0.00 59.36 58.27 1afr h GLU 166 Cb 0.82 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.08 1afr h GLU 166 CO 0.07 0.47 -0.53 -0.22 -1.00 0.00 0.00 179.01 177.80 1afr h LYS 167 N 0.02 0.81 -0.66 2.33 3.64 -1.03 -2.20 116.57 119.49 1afr h LYS 167 Ca -0.00 -0.53 -0.04 0.00 -1.27 0.00 0.00 60.65 58.81 1afr h LYS 167 Cb 0.81 0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.67 1afr h LYS 167 CO 0.06 1.16 0.26 1.15 -2.27 0.00 0.00 179.45 179.81 1afr h THR 168 N 0.57 1.23 -0.49 1.00 2.02 -0.92 -2.28 112.91 114.03 1afr h THR 168 Ca 0.01 -0.72 -0.12 0.00 0.77 0.00 0.00 66.41 66.34 1afr h THR 168 Cb 1.14 0.45 -0.02 0.00 -1.74 0.00 0.00 68.15 67.98 1afr h THR 168 CO 0.12 0.29 -0.16 0.40 0.37 0.00 0.00 175.52 176.54 1afr h ILE 169 N 0.95 1.27 -0.55 3.11 2.04 -1.12 -1.03 117.51 122.17 1afr h ILE 169 Ca 0.22 -1.30 -0.08 0.00 1.00 0.00 0.00 64.86 64.69 1afr h ILE 169 Cb 0.19 1.05 -0.02 0.00 -0.74 0.00 0.00 36.82 37.30 1afr h ILE 169 CO -0.02 0.45 0.02 -0.61 0.00 0.00 0.00 178.15 178.00 1afr h GLN 170 N 0.85 0.97 0.69 2.37 4.15 -1.08 -1.50 115.11 121.55 1afr h GLN 170 Ca 0.12 -0.30 -0.03 0.00 0.77 0.00 0.00 58.65 59.21 1afr h GLN 170 Cb 0.71 -0.09 0.01 0.00 0.21 0.00 0.00 27.48 28.32 1afr h GLN 170 CO 0.05 0.96 -0.33 1.88 -1.93 0.00 0.00 178.83 179.46 1afr h TYR 171 N 0.85 -0.87 -0.69 3.99 0.05 -1.31 -1.74 116.97 117.26 1afr h TYR 171 Ca 0.16 -0.02 0.15 0.00 0.05 0.00 0.00 58.73 59.07 1afr h TYR 171 Cb 0.51 0.29 -0.11 0.00 1.01 0.00 0.00 36.73 38.43 1afr h TYR 171 CO 0.04 -0.52 0.11 1.25 -1.05 0.00 0.00 178.16 177.99 1afr h LEU 172 N -1.00 -0.10 -0.54 3.88 5.85 -1.08 0.28 115.31 122.60 1afr h LEU 172 Ca -0.10 0.15 -0.06 0.00 0.84 0.00 0.00 57.88 58.72 1afr h LEU 172 Cb 0.73 0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.97 1afr h LEU 172 CO 0.16 -0.07 0.11 0.40 -0.34 0.00 0.00 178.44 178.70 1afr h ILE 173 N 0.21 1.25 -0.01 4.05 2.04 -1.23 -1.56 117.51 122.25 1afr h ILE 173 Ca 0.38 -0.92 -0.05 0.00 1.00 0.00 0.00 64.86 65.27 1afr h ILE 173 Cb 0.64 0.81 -0.01 0.00 -0.74 0.00 0.00 36.82 37.52 1afr h ILE 173 CO -0.52 0.33 -0.23 1.23 0.00 0.00 0.00 178.15 178.96 1afr h GLY 174 N 0.77 0.02 2.00 5.37 0.00 -0.07 -2.61 103.07 108.55 1afr h GLY 174 Ca 0.17 -0.02 -0.18 0.00 0.00 0.00 0.00 47.33 47.30 1afr h GLY 174 CO 0.01 0.01 -0.87 1.76 0.00 0.00 0.00 176.54 177.45 1afr h SER 175 N 0.02 0.00 0.00 0.19 0.02 -0.05 -3.50 113.55 110.24 1afr h SER 175 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1afr h SER 175 Cb 0.42 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.96 1afr h SER 175 CO 0.03 0.87 0.00 0.61 -1.14 0.00 0.00 176.83 177.20 1afr n GLY 176 N 1.02 0.49 3.60 -3.77 0.00 -0.63 -4.93 105.19 100.98 1afr n GLY 176 Ca -0.00 -0.89 -0.11 0.00 0.00 0.00 0.00 46.02 45.01 1afr n GLY 176 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1afr s MET 177 N 0.00 0.61 -0.31 1.61 0.00 -1.26 -4.89 119.30 115.06 1afr s MET 177 Ca 0.00 0.43 0.02 0.00 0.00 0.00 0.00 55.69 56.14 1afr s MET 177 Cb 0.00 0.29 0.08 0.00 0.00 0.00 0.00 34.83 35.20 1afr s MET 177 CO 0.00 -0.13 0.00 0.34 0.00 0.00 0.00 175.02 175.23 1afr s ASP 178 N -0.38 4.74 0.00 1.11 2.15 -1.26 -4.97 116.67 118.06 1afr s ASP 178 Ca -0.00 -1.70 0.22 0.00 0.43 0.00 0.00 52.55 51.50 1afr s ASP 178 Cb -0.03 -1.64 1.10 0.00 -0.30 0.00 0.00 42.92 42.05 1afr s ASP 178 CO -0.01 -0.31 1.69 -0.81 -0.17 0.00 0.00 175.17 175.56 1afr n PRO 179 N 4.43 0.33 -2.68 4.34 -0.04 -1.26 -4.89 135.00 135.23 1afr n PRO 179 Ca -0.07 0.08 -0.13 0.00 -0.04 0.00 0.00 63.50 63.34 1afr n PRO 179 Cb 0.42 -1.50 0.02 0.00 -0.04 0.00 0.00 33.50 32.40 1afr n PRO 179 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1afr n ARG 180 N -1.26 -2.84 0.00 0.54 1.74 -1.26 -4.79 116.66 108.78 1afr n ARG 180 Ca 0.11 0.56 0.12 0.00 -0.77 0.00 0.00 57.85 57.86 1afr n ARG 180 Cb 0.16 -4.68 0.25 0.00 -1.02 0.00 0.00 32.46 27.18 1afr n ARG 180 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1afr n THR 181 N -4.01 0.00 -4.24 0.55 -2.24 -1.26 -4.98 114.28 98.09 1afr n THR 181 Ca -0.07 -0.10 -0.37 0.00 -2.27 0.00 0.00 64.05 61.24 1afr n THR 181 Cb 0.58 0.50 -0.04 0.00 -2.10 0.00 0.00 70.33 69.27 1afr n THR 181 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1afr n GLU 182 N -0.90 -2.60 -1.19 -0.78 1.02 -1.26 -0.82 120.64 114.11 1afr n GLU 182 Ca 0.09 0.32 -0.06 0.00 -0.02 0.00 0.00 57.16 57.48 1afr n GLU 182 Cb 0.36 -5.02 -0.03 0.00 -0.02 0.00 0.00 31.44 26.73 1afr n GLU 182 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1afr n ASN 183 N -2.57 -5.22 -4.54 1.62 4.13 -1.26 -0.89 115.26 106.52 1afr n ASN 183 Ca 0.09 0.16 -0.39 0.00 1.68 0.00 0.00 54.58 56.12 1afr n ASN 183 Cb 0.48 -3.29 -0.11 0.00 -1.54 0.00 0.00 39.78 35.32 1afr n ASN 183 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 1afr s SER 184 N -2.32 5.89 0.56 6.41 0.15 -0.00 -0.99 113.70 123.40 1afr s SER 184 Ca 0.00 -0.21 0.24 0.00 0.70 0.00 0.00 55.95 56.69 1afr s SER 184 Cb 0.00 -2.09 1.55 0.00 -1.71 0.00 0.00 66.02 63.76 1afr s SER 184 CO 0.00 -0.12 2.14 -0.65 1.20 0.00 0.00 173.24 175.81 1afr h PRO 185 N 8.39 0.00 -0.24 5.44 0.11 -1.91 0.41 132.00 144.21 1afr h PRO 185 Ca -0.34 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.71 1afr h PRO 185 Cb 1.17 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 1afr h PRO 185 CO 0.58 0.00 -0.08 1.88 -0.21 0.00 0.00 178.00 180.18 1afr h TYR 186 N 0.00 0.54 -0.06 0.65 -1.99 -1.92 -1.74 116.97 112.45 1afr h TYR 186 Ca 0.06 -0.12 -0.19 0.00 2.00 0.00 0.00 58.73 60.48 1afr h TYR 186 Cb 0.27 -0.13 0.01 0.00 2.00 0.00 0.00 36.73 38.89 1afr h TYR 186 CO 0.00 0.72 -0.70 -0.07 -0.00 0.00 0.00 178.16 178.11 1afr h LEU 187 N 0.21 0.71 -0.09 3.88 3.38 -1.50 -3.23 115.31 118.67 1afr h LEU 187 Ca 0.06 -0.70 0.04 0.00 0.09 0.00 0.00 57.88 57.37 1afr h LEU 187 Cb 0.56 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 41.05 1afr h LEU 187 CO 0.03 1.31 -0.20 1.23 0.09 0.00 0.00 178.44 180.90 1afr h GLY 188 N 0.18 -0.20 2.00 0.83 0.00 -0.22 -1.26 103.07 104.39 1afr h GLY 188 Ca -0.07 0.24 0.00 0.00 0.00 0.00 0.00 47.33 47.50 1afr h GLY 188 CO 0.14 -0.18 0.00 0.74 0.00 0.00 0.00 176.54 177.24 1afr h PHE 189 N -0.27 0.00 0.04 5.60 0.04 -1.43 -0.00 116.94 120.91 1afr h PHE 189 Ca 0.09 0.00 -0.15 0.00 2.80 0.00 0.00 57.97 60.70 1afr h PHE 189 Cb 0.39 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.56 1afr h PHE 189 CO -0.28 0.00 -0.63 0.82 -0.60 0.00 0.00 178.31 177.62 1afr h ILE 190 N 0.00 1.47 0.44 -0.55 1.08 -1.45 -2.80 117.51 115.69 1afr h ILE 190 Ca 0.00 -2.20 -0.01 0.00 -0.39 0.00 0.00 64.86 62.26 1afr h ILE 190 Cb 0.44 2.79 -0.02 0.00 -3.07 0.00 0.00 36.82 36.97 1afr h ILE 190 CO 0.00 0.63 -0.36 0.22 -0.69 0.00 0.00 178.15 177.96 1afr h TYR 191 N -0.22 -0.95 -0.60 1.37 3.20 -0.53 -1.79 116.97 117.44 1afr h TYR 191 Ca -0.09 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.78 1afr h TYR 191 Cb 1.38 0.36 -0.03 0.00 1.54 0.00 0.00 36.73 39.98 1afr h TYR 191 CO 0.16 -0.51 0.38 1.79 -1.64 0.00 0.00 178.16 178.34 1afr h THR 192 N -0.79 1.16 -0.84 1.81 1.35 -1.14 -1.20 112.91 113.26 1afr h THR 192 Ca -0.04 -0.33 -0.00 0.00 -0.55 0.00 0.00 66.41 65.48 1afr h THR 192 Cb 0.68 0.30 -0.04 0.00 -1.73 0.00 0.00 68.15 67.36 1afr h THR 192 CO -0.01 0.16 0.51 0.28 -0.25 0.00 0.00 175.52 176.21 1afr h SER 193 N 0.82 1.00 0.31 5.36 0.02 -1.20 -0.13 113.55 119.73 1afr h SER 193 Ca 0.22 -0.06 -0.02 0.00 -0.84 0.00 0.00 61.79 61.09 1afr h SER 193 Cb -0.06 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.23 1afr h SER 193 CO -0.04 0.77 -0.15 0.15 -1.14 0.00 0.00 176.83 176.42 1afr h PHE 194 N 1.15 -0.39 -0.79 3.45 3.04 -0.53 -3.04 116.94 119.83 1afr h PHE 194 Ca 0.30 -0.01 0.07 0.00 3.98 0.00 0.00 57.97 62.31 1afr h PHE 194 Cb -0.05 0.13 -0.06 0.00 2.56 0.00 0.00 35.95 38.53 1afr h PHE 194 CO -0.00 -0.06 0.46 1.96 -2.02 0.00 0.00 178.31 178.65 1afr h GLN 195 N -0.75 0.80 -0.92 1.11 1.08 -1.11 -0.84 115.11 114.47 1afr h GLN 195 Ca -0.04 -0.05 0.03 0.00 -1.45 0.00 0.00 58.65 57.14 1afr h GLN 195 Cb 0.50 -0.18 -0.05 0.00 -0.05 0.00 0.00 27.48 27.70 1afr h GLN 195 CO 0.07 0.53 0.61 0.93 -0.95 0.00 0.00 178.83 180.02 1afr h GLU 196 N 0.82 1.15 -0.11 1.46 4.39 -1.05 0.04 114.58 121.27 1afr h GLU 196 Ca 0.36 -0.07 -0.17 0.00 0.34 0.00 0.00 59.36 59.82 1afr h GLU 196 Cb 0.24 -0.26 -0.01 0.00 -0.10 0.00 0.00 28.75 28.63 1afr h GLU 196 CO -0.20 0.76 -0.64 -0.09 -1.16 0.00 0.00 179.01 177.68 1afr h ARG 197 N 1.18 0.43 -0.20 2.33 2.43 -1.23 -1.50 114.38 117.82 1afr h ARG 197 Ca 0.36 -0.31 -0.01 0.00 -0.81 0.00 0.00 59.98 59.21 1afr h ARG 197 Cb -0.02 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.57 1afr h ARG 197 CO -0.10 0.93 0.10 0.00 -1.51 0.00 0.00 179.97 179.39 1afr h ALA 198 N 0.99 0.26 -0.43 2.80 0.00 -0.11 -1.34 119.26 121.44 1afr h ALA 198 Ca -0.01 -0.08 -0.11 0.00 0.00 0.00 0.00 54.91 54.71 1afr h ALA 198 Cb 1.19 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.88 1afr h ALA 198 CO 0.11 -0.19 -0.17 1.79 0.00 0.00 0.00 179.25 180.79 1afr h THR 199 N 0.20 1.27 -0.81 0.00 1.35 -0.95 -0.89 112.91 113.08 1afr h THR 199 Ca 0.07 -1.28 0.05 0.00 -0.55 0.00 0.00 66.41 64.70 1afr h THR 199 Cb 0.10 1.12 -0.06 0.00 -1.73 0.00 0.00 68.15 67.59 1afr h THR 199 CO -0.01 0.43 0.51 0.15 -0.25 0.00 0.00 175.52 176.35 1afr h PHE 200 N 0.72 0.94 0.41 4.73 3.57 -1.01 0.42 116.94 126.73 1afr h PHE 200 Ca 0.11 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.62 1afr h PHE 200 Cb 0.68 -0.30 0.00 0.00 2.79 0.00 0.00 35.95 39.12 1afr h PHE 200 CO 0.04 0.50 -0.20 0.82 -2.23 0.00 0.00 178.31 177.24 1afr h ILE 201 N 0.95 0.49 -0.17 1.41 2.04 -0.81 -0.82 117.51 120.59 1afr h ILE 201 Ca 0.35 -0.53 0.05 0.00 1.00 0.00 0.00 64.86 65.73 1afr h ILE 201 Cb 0.11 0.70 -0.07 0.00 -0.74 0.00 0.00 36.82 36.83 1afr h ILE 201 CO -0.15 0.08 -0.34 0.28 0.00 0.00 0.00 178.15 178.02 1afr h SER 202 N -0.90 -1.07 -0.12 1.72 0.02 -0.96 0.19 113.55 112.42 1afr h SER 202 Ca -0.06 0.16 -0.03 0.00 -0.84 0.00 0.00 61.79 61.03 1afr h SER 202 Cb 0.56 0.46 -0.01 0.00 0.14 0.00 0.00 62.40 63.54 1afr h SER 202 CO 0.09 -0.37 0.01 0.45 -1.14 0.00 0.00 176.83 175.88 1afr h HIS 203 N -0.39 0.30 -0.06 3.45 3.86 -0.98 -0.95 115.15 120.37 1afr h HIS 203 Ca 0.10 -0.01 -0.22 0.00 -1.16 0.00 0.00 60.37 59.08 1afr h HIS 203 Cb 0.56 -0.09 0.00 0.00 1.06 0.00 0.00 27.41 28.94 1afr h HIS 203 CO -0.44 0.30 -0.86 0.78 0.86 0.00 0.00 177.93 178.57 1afr h GLY 204 N 0.56 0.59 1.07 2.45 0.00 -0.13 -2.31 103.07 105.30 1afr h GLY 204 Ca 0.07 -0.93 -0.15 0.00 0.00 0.00 0.00 47.33 46.32 1afr h GLY 204 CO 0.00 0.83 -0.41 3.43 0.00 0.00 0.00 176.54 180.39 1afr h ASN 205 N 0.34 0.89 -0.27 0.19 2.35 -0.16 -2.08 115.58 116.84 1afr h ASN 205 Ca -0.07 -0.50 -0.07 0.00 -0.55 0.00 0.00 56.30 55.12 1afr h ASN 205 Cb 1.48 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 39.57 1afr h ASN 205 CO 0.16 1.21 -0.04 0.71 -1.65 0.00 0.00 177.43 177.82 1afr h THR 206 N 0.60 1.23 -0.54 2.81 1.35 -1.24 -1.24 112.91 115.87 1afr h THR 206 Ca 0.04 -0.95 0.02 0.00 -0.55 0.00 0.00 66.41 64.97 1afr h THR 206 Cb 1.00 0.98 -0.03 0.00 -1.73 0.00 0.00 68.15 68.37 1afr h THR 206 CO 0.10 0.32 0.34 0.00 -0.25 0.00 0.00 175.52 176.03 1afr h ALA 207 N 1.38 0.70 -0.04 6.62 0.00 -1.12 0.24 119.26 127.03 1afr h ALA 207 Ca 0.12 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1afr h ALA 207 Cb 0.43 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 1afr h ALA 207 CO 0.02 0.08 0.01 0.00 0.00 0.00 0.00 179.25 179.35 1afr h ARG 208 N 0.68 0.07 0.00 0.00 3.08 -0.86 -2.84 114.38 114.52 1afr h ARG 208 Ca 0.21 -0.02 -0.04 0.00 0.07 0.00 0.00 59.98 60.20 1afr h ARG 208 Cb -0.02 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.02 1afr h ARG 208 CO -0.08 0.32 -0.19 1.96 -1.07 0.00 0.00 179.97 180.91 1afr h GLN 209 N -0.18 0.00 -0.31 0.04 4.20 -0.96 -1.02 115.11 116.88 1afr h GLN 209 Ca 0.01 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.71 1afr h GLN 209 Cb 0.28 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.05 1afr h GLN 209 CO 0.00 0.19 0.14 0.00 -0.67 0.00 0.00 178.83 178.49 1afr h ALA 210 N 1.81 0.40 -0.59 3.87 0.00 -0.37 -2.23 119.26 122.14 1afr h ALA 210 Ca -0.00 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 1afr h ALA 210 Cb 0.42 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 1afr h ALA 210 CO 0.03 -0.03 0.29 -0.22 0.00 0.00 0.00 179.25 179.32 1afr h LYS 211 N 0.35 0.85 0.00 0.00 3.64 -1.15 -1.01 116.57 119.25 1afr h LYS 211 Ca 0.10 -0.12 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1afr h LYS 211 Cb 0.14 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 31.81 1afr h LYS 211 CO -0.01 0.68 0.00 0.93 -2.27 0.00 0.00 179.45 178.78 1afr h GLU 212 N 0.81 0.00 -0.34 1.90 5.08 -0.87 0.84 114.58 122.00 1afr h GLU 212 Ca 0.20 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.56 1afr h GLU 212 Cb 0.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.36 1afr h GLU 212 CO -0.03 0.00 0.00 0.72 -1.00 0.00 0.00 179.01 178.70 1afr n HIS 213 N -2.41 0.43 -0.41 4.33 8.25 -0.45 -4.96 115.22 120.01 1afr n HIS 213 Ca -0.01 -0.22 0.00 0.00 -0.26 0.00 0.00 57.72 57.23 1afr n HIS 213 Cb 0.11 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.22 1afr n HIS 213 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1afr n GLY 214 N 1.44 0.77 3.16 -1.41 0.00 0.29 -4.76 105.19 104.68 1afr n GLY 214 Ca 0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 1afr n GLY 214 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1afr s ASP 215 N -2.30 5.67 0.37 1.61 -1.08 -0.83 -4.92 116.67 115.18 1afr s ASP 215 Ca 0.00 -2.81 0.18 0.00 -0.52 0.00 0.00 52.55 49.40 1afr s ASP 215 Cb 0.00 -1.96 0.68 0.00 -1.46 0.00 0.00 42.92 40.18 1afr s ASP 215 CO 0.00 -0.43 1.74 0.16 0.52 0.00 0.00 175.17 177.16 1afr h ILE 216 N 5.14 0.97 -0.18 4.11 3.07 -1.88 -2.08 117.51 126.66 1afr h ILE 216 Ca 0.02 -1.53 -0.18 0.00 1.55 0.00 0.00 64.86 64.71 1afr h ILE 216 Cb 0.98 1.91 -0.00 0.00 -0.27 0.00 0.00 36.82 39.44 1afr h ILE 216 CO 0.73 0.39 -0.62 0.11 -1.05 0.00 0.00 178.15 177.71 1afr h LYS 217 N 0.00 0.62 -0.14 0.16 1.57 -1.97 0.46 116.57 117.27 1afr h LYS 217 Ca -0.00 -0.42 -0.11 0.00 -1.87 0.00 0.00 60.65 58.24 1afr h LYS 217 Cb 0.88 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.24 1afr h LYS 217 CO 0.05 1.04 -0.40 1.25 -0.57 0.00 0.00 179.45 180.82 1afr h LEU 218 N 0.46 0.32 -0.75 2.94 5.85 -1.92 -1.23 115.31 120.98 1afr h LEU 218 Ca -0.01 -0.13 -0.08 0.00 0.84 0.00 0.00 57.88 58.50 1afr h LEU 218 Cb 1.19 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 42.10 1afr h LEU 218 CO 0.12 0.69 0.10 0.00 -0.34 0.00 0.00 178.44 179.01 1afr h ALA 219 N 1.33 0.97 -0.34 1.25 0.00 -1.04 -1.52 119.26 119.90 1afr h ALA 219 Ca 0.02 -0.26 -0.06 0.00 0.00 0.00 0.00 54.91 54.61 1afr h ALA 219 Cb 0.82 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1afr h ALA 219 CO 0.07 0.65 -0.01 1.96 0.00 0.00 0.00 179.25 181.92 1afr h GLN 220 N 0.99 0.60 0.50 0.00 4.20 -0.41 -1.82 115.11 119.16 1afr h GLN 220 Ca 0.20 -0.19 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 1afr h GLN 220 Cb 0.43 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.13 1afr h GLN 220 CO 0.01 0.73 -0.51 0.82 -0.67 0.00 0.00 178.83 179.21 1afr h ILE 221 N 0.40 0.00 -0.70 2.54 2.04 -0.90 -0.31 117.51 120.58 1afr h ILE 221 Ca 0.09 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.95 1afr h ILE 221 Cb 0.46 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.51 1afr h ILE 221 CO 0.02 0.00 0.41 0.00 0.00 0.00 0.00 178.15 178.58 1afr h GLY 223 N 0.99 0.82 1.93 0.00 0.00 -1.14 -1.08 103.07 104.59 1afr h GLY 223 Ca 0.25 -0.64 -0.05 0.00 0.00 0.00 0.00 47.33 46.88 1afr h GLY 223 CO -0.05 0.59 -0.23 -0.84 0.00 0.00 0.00 176.54 176.02 1afr h THR 224 N 0.57 1.19 -0.12 4.70 2.02 -0.83 -0.48 112.91 119.96 1afr h THR 224 Ca 0.11 -0.88 -0.16 0.00 0.77 0.00 0.00 66.41 66.25 1afr h THR 224 Cb 0.56 1.40 0.01 0.00 -1.74 0.00 0.00 68.15 68.39 1afr h THR 224 CO 0.03 0.26 -0.57 0.40 0.37 0.00 0.00 175.52 176.01 1afr h ILE 225 N 0.08 1.34 -0.82 3.11 2.04 -1.22 -3.16 117.51 118.87 1afr h ILE 225 Ca 0.01 -1.85 -0.01 0.00 1.00 0.00 0.00 64.86 64.01 1afr h ILE 225 Cb 0.45 2.13 -0.04 0.00 -0.74 0.00 0.00 36.82 38.61 1afr h ILE 225 CO 0.03 0.57 0.47 0.00 0.00 0.00 0.00 178.15 179.22 1afr h ALA 226 N 0.50 1.29 -0.89 1.87 0.00 -0.65 -1.92 119.26 119.46 1afr h ALA 226 Ca -0.04 -0.10 0.07 0.00 0.00 0.00 0.00 54.91 54.84 1afr h ALA 226 Cb 1.21 -0.33 -0.07 0.00 0.00 0.00 0.00 17.79 18.60 1afr h ALA 226 CO 0.12 0.59 0.55 0.00 0.00 0.00 0.00 179.25 180.51 1afr h ALA 227 N 1.39 1.24 -0.55 0.00 0.00 -1.08 0.15 119.26 120.40 1afr h ALA 227 Ca 0.29 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 55.12 1afr h ALA 227 Cb -0.02 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 1afr h ALA 227 CO -0.05 0.26 0.01 -0.44 0.00 0.00 0.00 179.25 179.03 1afr h ASP 228 N 0.97 0.92 -0.77 0.00 5.19 -1.33 -2.97 116.42 118.42 1afr h ASP 228 Ca 0.40 -0.24 0.02 0.00 -0.62 0.00 0.00 57.03 56.59 1afr h ASP 228 Cb 0.24 -0.24 -0.04 0.00 0.18 0.00 0.00 39.33 39.46 1afr h ASP 228 CO -0.20 0.97 0.50 -0.33 -3.12 0.00 0.00 179.24 177.06 1afr h GLU 229 N 0.87 0.96 -0.94 3.56 4.39 -0.63 -2.41 114.58 120.39 1afr h GLU 229 Ca 0.16 -0.06 -0.01 0.00 0.34 0.00 0.00 59.36 59.80 1afr h GLU 229 Cb 0.50 -0.22 -0.05 0.00 -0.10 0.00 0.00 28.75 28.89 1afr h GLU 229 CO 0.02 0.63 0.56 -0.22 -1.16 0.00 0.00 179.01 178.85 1afr h LYS 230 N 0.99 1.28 -0.43 2.33 3.64 -1.22 0.38 116.57 123.53 1afr h LYS 230 Ca 0.30 -0.12 -0.06 0.00 -1.27 0.00 0.00 60.65 59.51 1afr h LYS 230 Cb -0.03 -0.27 -0.02 0.00 -0.41 0.00 0.00 32.23 31.51 1afr h LYS 230 CO -0.10 0.90 0.05 0.00 -2.27 0.00 0.00 179.45 178.03 1afr h ARG 231 N 1.29 0.73 -0.73 1.90 3.08 -1.44 -0.29 114.38 118.94 1afr h ARG 231 Ca 0.34 -0.21 0.01 0.00 0.07 0.00 0.00 59.98 60.19 1afr h ARG 231 Cb -0.05 -0.08 -0.04 0.00 0.08 0.00 0.00 29.97 29.89 1afr h ARG 231 CO -0.06 0.78 0.48 0.45 -1.07 0.00 0.00 179.97 180.54 1afr h HIS 232 N 0.58 0.91 -0.20 3.04 3.86 -0.96 -0.80 115.15 121.58 1afr h HIS 232 Ca 0.13 0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.36 1afr h HIS 232 Cb 0.41 -0.31 -0.01 0.00 1.06 0.00 0.00 27.41 28.57 1afr h HIS 232 CO 0.03 0.56 0.12 1.49 0.86 0.00 0.00 177.93 180.99 1afr h GLU 233 N 0.97 0.28 -0.13 2.45 4.81 -0.66 -1.86 114.58 120.43 1afr h GLU 233 Ca 0.27 -0.03 0.05 0.00 -0.13 0.00 0.00 59.36 59.52 1afr h GLU 233 Cb -0.09 -0.06 -0.05 0.00 0.63 0.00 0.00 28.75 29.18 1afr h GLU 233 CO -0.07 0.24 -0.19 1.15 -0.73 0.00 0.00 179.01 179.42 1afr h THR 234 N 0.23 0.51 -0.85 0.32 2.02 -0.54 -0.20 112.91 114.41 1afr h THR 234 Ca 0.07 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.23 1afr h THR 234 Cb 0.04 0.51 -0.04 0.00 -1.74 0.00 0.00 68.15 66.92 1afr h THR 234 CO -0.01 0.00 0.43 0.00 0.37 0.00 0.00 175.52 176.30 1afr h ALA 235 N 0.77 1.09 -0.15 6.16 0.00 -1.05 -2.60 119.26 123.49 1afr h ALA 235 Ca 0.10 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 1afr h ALA 235 Cb 0.39 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 1afr h ALA 235 CO -0.28 0.64 -0.05 1.88 0.00 0.00 0.00 179.25 181.44 1afr h TYR 236 N 1.20 0.33 -0.37 0.00 0.05 -0.95 -2.84 116.97 114.38 1afr h TYR 236 Ca 0.29 -0.08 0.04 0.00 0.05 0.00 0.00 58.73 59.04 1afr h TYR 236 Cb 0.09 -0.08 -0.02 0.00 1.01 0.00 0.00 36.73 37.73 1afr h TYR 236 CO 0.01 0.59 0.25 1.79 -1.05 0.00 0.00 178.16 179.75 1afr h THR 237 N -0.03 1.00 -0.57 -2.88 1.35 -0.96 -0.39 112.91 110.44 1afr h THR 237 Ca 0.04 -0.12 -0.03 0.00 -0.55 0.00 0.00 66.41 65.75 1afr h THR 237 Cb 0.49 0.62 -0.03 0.00 -1.73 0.00 0.00 68.15 67.50 1afr h THR 237 CO 0.02 0.06 0.25 0.11 -0.25 0.00 0.00 175.52 175.71 1afr h LYS 238 N 0.36 0.84 -0.86 4.72 1.79 -1.31 0.66 116.57 122.76 1afr h LYS 238 Ca 0.16 -0.14 0.00 0.00 -2.18 0.00 0.00 60.65 58.49 1afr h LYS 238 Cb 0.18 -0.14 -0.04 0.00 -1.58 0.00 0.00 32.23 30.65 1afr h LYS 238 CO -0.04 0.71 0.54 0.82 -1.08 0.00 0.00 179.45 180.40 1afr h ILE 239 N 0.78 1.23 -0.18 1.86 2.04 -0.84 -0.98 117.51 121.42 1afr h ILE 239 Ca 0.19 -0.47 -0.18 0.00 1.00 0.00 0.00 64.86 65.40 1afr h ILE 239 Cb 0.17 0.01 -0.00 0.00 -0.74 0.00 0.00 36.82 36.26 1afr h ILE 239 CO -0.02 0.23 -0.63 0.58 0.00 0.00 0.00 178.15 178.32 1afr h VAL 240 N 1.17 1.32 -0.36 1.67 2.07 -1.23 -2.72 116.25 118.17 1afr h VAL 240 Ca 0.31 -1.89 0.04 0.00 0.82 0.00 0.00 66.70 65.98 1afr h VAL 240 Cb -0.08 1.85 -0.04 0.00 -1.52 0.00 0.00 31.29 31.50 1afr h VAL 240 CO -0.06 0.59 0.12 -0.08 0.02 0.00 0.00 177.57 178.16 1afr h GLU 241 N 0.46 0.26 -0.95 1.57 4.81 -0.27 0.11 114.58 120.57 1afr h GLU 241 Ca -0.01 -0.02 0.04 0.00 -0.13 0.00 0.00 59.36 59.25 1afr h GLU 241 Cb 1.21 -0.06 -0.06 0.00 0.63 0.00 0.00 28.75 30.47 1afr h GLU 241 CO 0.12 0.17 0.62 -0.22 -0.73 0.00 0.00 179.01 178.97 1afr h LYS 242 N 0.27 1.15 0.00 1.92 1.63 -1.13 -1.75 116.57 118.66 1afr h LYS 242 Ca 0.16 -0.07 -0.08 0.00 -0.85 0.00 0.00 60.65 59.81 1afr h LYS 242 Cb 0.14 -0.26 -0.01 0.00 -0.60 0.00 0.00 32.23 31.50 1afr h LYS 242 CO -0.17 0.76 -0.38 -0.07 -3.45 0.00 0.00 179.45 176.14 1afr h LEU 243 N 1.18 0.00 -0.54 5.20 3.38 -0.96 -1.95 115.31 121.62 1afr h LEU 243 Ca 0.39 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.36 1afr h LEU 243 Cb 0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.79 1afr h LEU 243 CO -0.13 0.38 0.00 0.49 0.09 0.00 0.00 178.44 179.26 1afr n PHE 244 N -3.40 0.85 -0.05 1.13 3.72 0.30 0.46 117.46 120.47 1afr n PHE 244 Ca 0.01 0.31 -0.02 0.00 -0.05 0.00 0.00 57.45 57.70 1afr n PHE 244 Cb 0.56 -1.00 -0.13 0.00 -0.94 0.00 0.00 39.48 37.97 1afr n PHE 244 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 176.76 175.86 1afr n GLU 245 N -2.26 1.09 0.05 -1.08 0.28 -1.11 -3.19 120.64 114.43 1afr n GLU 245 Ca 0.03 -0.06 -0.03 0.00 -0.16 0.00 0.00 57.16 56.94 1afr n GLU 245 Cb 0.28 -1.40 -0.08 0.00 1.43 0.00 0.00 31.44 31.67 1afr n GLU 245 CO 0.00 0.00 0.00 0.82 -0.16 0.00 0.00 177.13 177.79 1afr h ILE 246 N 0.00 0.92 -0.34 3.84 2.04 -1.10 -3.42 117.51 119.47 1afr h ILE 246 Ca -0.26 -2.51 -0.28 0.00 1.00 0.00 0.00 64.86 62.80 1afr h ILE 246 Cb 1.52 2.39 -0.19 0.00 -0.74 0.00 0.00 36.82 39.79 1afr h ILE 246 CO 0.01 0.53 -0.58 -0.67 0.00 0.00 0.00 178.15 177.45 1afr n ASP 247 N -3.10 -1.98 -0.32 1.72 -0.08 0.17 -5.00 116.55 107.96 1afr n ASP 247 Ca -0.06 -3.48 0.19 0.00 -1.51 0.00 0.00 54.79 49.93 1afr n ASP 247 Cb 0.88 1.48 0.45 0.00 2.34 0.00 0.00 41.12 46.27 1afr n ASP 247 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1afr h PRO 248 N 3.29 0.50 0.17 -0.67 0.13 -1.60 -1.60 132.00 132.22 1afr h PRO 248 Ca -0.08 -0.03 -0.01 0.00 -0.87 0.00 0.00 66.00 65.01 1afr h PRO 248 Cb 1.06 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.07 1afr h PRO 248 CO 0.24 0.33 -0.09 0.22 -0.23 0.00 0.00 178.00 178.46 1afr h ASP 249 N 0.51 -0.23 -0.88 1.44 1.82 -1.91 -1.50 116.42 115.68 1afr h ASP 249 Ca 0.57 0.01 0.03 0.00 -0.39 0.00 0.00 57.03 57.25 1afr h ASP 249 Cb 1.26 0.06 -0.05 0.00 0.68 0.00 0.00 39.33 41.28 1afr h ASP 249 CO -0.32 -0.15 0.57 1.23 -1.61 0.00 0.00 179.24 178.96 1afr h GLY 250 N -0.25 1.27 2.00 -0.78 0.00 -1.92 -1.79 103.07 101.59 1afr h GLY 250 Ca -0.02 -0.44 -0.01 0.00 0.00 0.00 0.00 47.33 46.85 1afr h GLY 250 CO 0.03 0.39 -0.07 -0.84 0.00 0.00 0.00 176.54 176.06 1afr h THR 251 N 1.13 0.87 0.07 4.70 2.02 -1.32 0.31 112.91 120.69 1afr h THR 251 Ca 0.34 -0.25 -0.25 0.00 0.77 0.00 0.00 66.41 67.03 1afr h THR 251 Cb -0.04 1.14 0.00 0.00 -1.74 0.00 0.00 68.15 67.51 1afr h THR 251 CO -0.10 0.07 -1.10 0.58 0.37 0.00 0.00 175.52 175.33 1afr h VAL 252 N 0.00 1.48 -0.07 3.16 2.07 -0.45 -2.12 116.25 120.32 1afr h VAL 252 Ca -0.00 -2.83 -0.01 0.00 0.82 0.00 0.00 66.70 64.68 1afr h VAL 252 Cb 0.13 2.73 -0.00 0.00 -1.52 0.00 0.00 31.29 32.63 1afr h VAL 252 CO 0.01 0.83 0.02 -0.07 0.02 0.00 0.00 177.57 178.38 1afr h LEU 253 N 0.12 0.11 -0.14 2.57 3.38 -0.47 -0.40 115.31 120.48 1afr h LEU 253 Ca -0.10 -0.23 0.02 0.00 0.09 0.00 0.00 57.88 57.65 1afr h LEU 253 Cb 1.79 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 42.49 1afr h LEU 253 CO 0.18 0.31 0.02 0.00 0.09 0.00 0.00 178.44 179.04 1afr h ALA 254 N 0.80 0.13 -0.97 1.53 0.00 -0.51 0.43 119.26 120.67 1afr h ALA 254 Ca 0.02 0.03 0.07 0.00 0.00 0.00 0.00 54.91 55.04 1afr h ALA 254 Cb 0.25 0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.01 1afr h ALA 254 CO 0.00 -0.43 0.63 0.35 0.00 0.00 0.00 179.25 179.80 1afr h PHE 255 N 0.07 1.14 -0.11 0.00 3.57 -1.26 -1.81 116.94 118.54 1afr h PHE 255 Ca 0.06 0.03 -0.20 0.00 3.53 0.00 0.00 57.97 61.39 1afr h PHE 255 Cb 0.06 -0.37 0.00 0.00 2.79 0.00 0.00 35.95 38.44 1afr h PHE 255 CO -0.13 0.57 -0.75 0.00 -2.23 0.00 0.00 178.31 175.77 1afr h ALA 256 N 1.49 0.47 0.03 2.41 0.00 0.07 -2.74 119.26 120.99 1afr h ALA 256 Ca 0.43 -0.60 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 1afr h ALA 256 Cb 0.24 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1afr h ALA 256 CO -0.18 0.73 -0.02 0.22 0.00 0.00 0.00 179.25 180.00 1afr h ASP 257 N 0.40 -0.04 -0.95 0.00 3.58 0.47 -1.49 116.42 118.40 1afr h ASP 257 Ca -0.04 -0.00 0.03 0.00 0.42 0.00 0.00 57.03 57.44 1afr h ASP 257 Cb 1.35 0.01 -0.05 0.00 1.72 0.00 0.00 39.33 42.35 1afr h ASP 257 CO 0.14 -0.02 0.62 0.24 -2.88 0.00 0.00 179.24 177.34 1afr h MET 258 N -0.05 1.18 0.00 0.28 2.86 -1.40 -1.60 114.93 116.20 1afr h MET 258 Ca -0.00 -0.07 -0.04 0.00 -2.06 0.00 0.00 59.70 57.53 1afr h MET 258 Cb 0.04 -0.27 -0.01 0.00 0.06 0.00 0.00 31.60 31.43 1afr h MET 258 CO 0.01 0.78 -0.18 1.98 1.06 0.00 0.00 176.91 180.56 1afr h MET 259 N 1.22 0.00 0.02 1.72 4.05 -1.11 0.32 114.93 121.14 1afr h MET 259 Ca 0.37 0.00 -0.03 0.00 -0.28 0.00 0.00 59.70 59.76 1afr h MET 259 Cb -0.03 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.77 1afr h MET 259 CO -0.11 0.18 -0.12 0.00 0.23 0.00 0.00 176.91 177.09 1afr h ARG 260 N 0.00 0.05 -0.82 0.39 3.08 -0.67 -3.32 114.38 113.09 1afr h ARG 260 Ca -0.00 -0.08 0.05 0.00 0.07 0.00 0.00 59.98 60.02 1afr h ARG 260 Cb 0.32 0.03 -0.05 0.00 0.08 0.00 0.00 29.97 30.35 1afr h ARG 260 CO 0.02 1.00 0.54 0.87 -1.07 0.00 0.00 179.97 181.33 1afr h LYS 261 N -0.85 0.91 0.00 0.04 1.57 -1.05 -3.49 116.57 113.70 1afr h LYS 261 Ca -0.02 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1afr h LYS 261 Cb 1.05 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 33.16 1afr h LYS 261 CO 0.02 0.60 0.00 1.63 -0.57 0.00 0.00 179.45 181.14 1afr n LYS 262 N -4.47 0.00 -2.39 3.15 5.02 0.11 -4.88 118.16 114.69 1afr n LYS 262 Ca 0.12 0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 55.99 1afr n LYS 262 Cb 0.18 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.16 1afr n LYS 262 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1afr s ILE 263 N -1.35 3.75 -0.01 -0.18 -1.09 -1.26 -4.92 121.20 116.15 1afr s ILE 263 Ca 0.00 0.60 -0.24 0.00 -2.23 0.00 0.00 60.65 58.78 1afr s ILE 263 Cb 0.00 -4.47 -0.04 0.00 -1.58 0.00 0.00 42.46 36.36 1afr s ILE 263 CO 0.00 -1.25 0.75 -0.94 -1.23 0.00 0.00 174.94 172.27 1afr s SER 264 N 4.57 7.11 0.36 3.58 1.04 -1.26 -5.03 113.70 124.07 1afr s SER 264 Ca 0.51 1.34 -0.28 0.00 0.48 0.00 0.00 55.95 58.00 1afr s SER 264 Cb -0.10 -2.45 -0.10 0.00 0.10 0.00 0.00 66.02 63.47 1afr s SER 264 CO 0.23 -0.06 1.32 -0.04 0.98 0.00 0.00 173.24 175.67 1afr s MET 265 N 0.42 4.22 0.44 4.02 1.00 -1.26 -4.93 119.30 123.21 1afr s MET 265 Ca 0.39 2.23 0.14 0.00 0.00 0.00 0.00 55.69 58.45 1afr s MET 265 Cb -0.19 -2.97 1.05 0.00 0.00 0.00 0.00 34.83 32.72 1afr s MET 265 CO 0.21 -0.31 2.00 -1.00 0.00 0.00 0.00 175.02 175.92 1afr h PRO 266 N 3.14 0.36 -0.81 2.03 0.13 -1.99 -2.39 132.00 132.46 1afr h PRO 266 Ca -0.49 -0.02 -0.18 0.00 -0.87 0.00 0.00 66.00 64.44 1afr h PRO 266 Cb 1.23 -0.08 -0.11 0.00 0.13 0.00 0.00 31.00 32.18 1afr h PRO 266 CO 0.64 0.24 0.22 0.00 -0.23 0.00 0.00 178.00 178.88 1afr n ALA 267 N -2.52 4.18 0.43 -0.56 0.00 -1.26 -4.52 120.51 116.26 1afr n ALA 267 Ca 0.08 -1.84 0.11 0.00 0.00 0.00 0.00 53.44 51.79 1afr n ALA 267 Cb 0.34 -1.21 0.45 0.00 0.00 0.00 0.00 19.45 19.02 1afr n ALA 267 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 1afr n HIS 268 N -0.06 0.61 -0.69 0.00 1.44 -0.90 -2.06 115.22 113.56 1afr n HIS 268 Ca 0.33 0.24 0.06 0.00 -2.01 0.00 0.00 57.72 56.33 1afr n HIS 268 Cb 1.19 -0.88 0.36 0.00 0.12 0.00 0.00 29.99 30.77 1afr n HIS 268 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 1afr n LEU 269 N -2.06 5.24 -4.62 2.39 4.77 -1.26 -4.73 117.00 116.73 1afr n LEU 269 Ca 0.03 -2.66 -0.49 0.00 -0.03 0.00 0.00 56.01 52.85 1afr n LEU 269 Cb 0.22 -0.67 -0.05 0.00 -2.33 0.00 0.00 43.42 40.59 1afr n LEU 269 CO 0.19 0.59 0.98 0.80 -1.33 0.00 0.00 177.39 178.62 1afr n MET 270 N 0.53 1.55 -3.69 3.23 1.56 -0.87 -4.48 117.12 114.94 1afr n MET 270 Ca 0.25 0.56 -0.10 0.00 -0.27 0.00 0.00 57.70 58.14 1afr n MET 270 Cb 1.10 -2.23 -0.10 0.00 2.15 0.00 0.00 33.22 34.14 1afr n MET 270 CO 0.00 0.00 0.00 -0.47 -0.73 0.00 0.00 175.97 174.77 1afr s TYR 271 N 0.49 -0.63 -0.29 1.12 5.04 -1.26 -4.17 117.35 117.66 1afr s TYR 271 Ca 0.80 1.34 0.16 0.00 -2.44 0.00 0.00 57.07 56.93 1afr s TYR 271 Cb -0.83 0.29 0.56 0.00 0.35 0.00 0.00 41.96 42.33 1afr s TYR 271 CO 0.45 -0.35 1.46 -0.40 -1.34 0.00 0.00 175.55 175.37 1afr n ASP 272 N 4.14 4.11 0.00 4.32 5.75 -1.26 -4.26 116.55 129.35 1afr n ASP 272 Ca -0.22 -2.90 0.00 0.00 -0.01 0.00 0.00 54.79 51.66 1afr n ASP 272 Cb 0.56 -0.54 0.00 0.00 -1.03 0.00 0.00 41.12 40.11 1afr n ASP 272 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1afr n GLY 273 N -0.20 2.43 0.00 6.12 0.00 -1.26 -4.75 105.19 107.53 1afr n GLY 273 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 1afr n GLY 273 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1afr n ARG 274 N -2.00 0.00 -3.95 1.61 1.85 -1.26 -4.99 116.66 107.92 1afr n ARG 274 Ca 0.00 0.00 -0.29 0.00 -1.00 0.00 0.00 57.85 56.56 1afr n ARG 274 Cb 0.00 -0.26 -0.16 0.00 -1.05 0.00 0.00 32.46 30.99 1afr n ARG 274 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 1afr s ASP 275 N 0.00 3.18 0.41 2.89 -1.08 -1.26 -5.00 116.67 115.81 1afr s ASP 275 Ca 0.00 -0.81 0.23 0.00 -0.52 0.00 0.00 52.55 51.45 1afr s ASP 275 Cb 0.00 -1.09 0.69 0.00 -1.46 0.00 0.00 42.92 41.06 1afr s ASP 275 CO 0.00 -0.17 1.73 0.44 0.52 0.00 0.00 175.17 177.69 1afr h ASP 276 N 8.04 0.00 -1.15 -0.34 3.32 -1.95 -3.18 116.42 121.16 1afr h ASP 276 Ca -0.26 0.00 -0.61 0.00 0.02 0.00 0.00 57.03 56.19 1afr h ASP 276 Cb 1.10 0.00 -0.39 0.00 0.22 0.00 0.00 39.33 40.26 1afr h ASP 276 CO 0.44 0.24 -0.33 0.59 -1.72 0.00 0.00 179.24 178.46 1afr n ASN 277 N -3.29 5.58 -0.12 6.45 4.13 -1.26 -4.82 115.26 121.93 1afr n ASN 277 Ca 0.01 -3.76 -0.06 0.00 1.68 0.00 0.00 54.58 52.45 1afr n ASN 277 Cb 0.50 -0.55 0.02 0.00 -1.54 0.00 0.00 39.78 38.21 1afr n ASN 277 CO 0.00 0.00 0.00 0.25 0.28 0.00 0.00 177.26 177.79 1afr h LEU 278 N 2.36 0.30 -0.27 3.41 5.85 -1.72 -1.08 115.31 124.15 1afr h LEU 278 Ca 0.41 0.02 0.00 0.00 0.84 0.00 0.00 57.88 59.15 1afr h LEU 278 Cb 1.08 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 42.06 1afr h LEU 278 CO 0.99 0.21 0.17 0.15 -0.34 0.00 0.00 178.44 179.62 1afr h PHE 279 N 0.41 0.34 -0.87 1.25 3.57 -1.85 0.93 116.94 120.73 1afr h PHE 279 Ca 0.17 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.67 1afr h PHE 279 Cb 0.07 -0.11 -0.04 0.00 2.79 0.00 0.00 35.95 38.66 1afr h PHE 279 CO -0.10 0.24 0.52 -0.44 -2.23 0.00 0.00 178.31 176.30 1afr h ASP 280 N 0.35 1.04 -0.15 0.41 3.32 -1.84 0.13 116.42 119.67 1afr h ASP 280 Ca 0.10 -0.06 -0.13 0.00 0.02 0.00 0.00 57.03 56.96 1afr h ASP 280 Cb -0.01 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.26 1afr h ASP 280 CO -0.02 0.80 -0.33 0.45 -1.72 0.00 0.00 179.24 178.42 1afr h HIS 281 N 1.19 0.76 -0.24 4.55 3.86 -0.70 -0.27 115.15 124.29 1afr h HIS 281 Ca 0.31 -0.20 -0.07 0.00 -1.16 0.00 0.00 60.37 59.25 1afr h HIS 281 Cb -0.05 -0.17 -0.01 0.00 1.06 0.00 0.00 27.41 28.24 1afr h HIS 281 CO 0.00 0.90 -0.12 0.35 0.86 0.00 0.00 177.93 179.92 1afr h PHE 282 N 0.55 0.59 -0.78 2.45 3.57 -0.23 -2.97 116.94 120.12 1afr h PHE 282 Ca 0.06 -0.15 -0.02 0.00 3.53 0.00 0.00 57.97 61.39 1afr h PHE 282 Cb 0.83 -0.14 -0.04 0.00 2.79 0.00 0.00 35.95 39.40 1afr h PHE 282 CO 0.04 0.78 0.40 0.77 -2.23 0.00 0.00 178.31 178.06 1afr h SER 283 N 0.23 0.99 -0.63 0.41 0.02 -0.52 -2.47 113.55 111.59 1afr h SER 283 Ca 0.05 -0.10 0.04 0.00 -0.84 0.00 0.00 61.79 60.94 1afr h SER 283 Cb 0.62 -0.25 -0.05 0.00 0.14 0.00 0.00 62.40 62.87 1afr h SER 283 CO 0.04 0.82 0.37 0.00 -1.14 0.00 0.00 176.83 176.91 1afr h ALA 284 N 1.34 0.83 -0.41 3.77 0.00 -0.93 0.93 119.26 124.78 1afr h ALA 284 Ca 0.27 -0.00 -0.12 0.00 0.00 0.00 0.00 54.91 55.06 1afr h ALA 284 Cb 0.07 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1afr h ALA 284 CO -0.04 0.08 -0.24 0.28 0.00 0.00 0.00 179.25 179.33 1afr h VAL 285 N 0.71 1.27 -0.57 0.00 2.07 -1.33 -0.58 116.25 117.83 1afr h VAL 285 Ca 0.27 -1.38 -0.09 0.00 0.82 0.00 0.00 66.70 66.32 1afr h VAL 285 Cb 0.09 1.21 -0.02 0.00 -1.52 0.00 0.00 31.29 31.05 1afr h VAL 285 CO -0.14 0.46 0.02 0.00 0.02 0.00 0.00 177.57 177.94 1afr h ALA 286 N 0.99 0.76 0.49 1.67 0.00 -0.99 -0.15 119.26 122.04 1afr h ALA 286 Ca 0.09 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 1afr h ALA 286 Cb 0.78 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1afr h ALA 286 CO 0.06 0.58 -0.27 0.37 0.00 0.00 0.00 179.25 179.99 1afr h GLN 287 N 0.88 -0.68 -0.98 0.00 5.75 -0.67 0.56 115.11 119.97 1afr h GLN 287 Ca 0.16 0.05 0.07 0.00 -0.15 0.00 0.00 58.65 58.78 1afr h GLN 287 Cb 0.52 0.16 -0.07 0.00 1.07 0.00 0.00 27.48 29.16 1afr h GLN 287 CO 0.03 -0.45 0.63 -0.09 -2.65 0.00 0.00 178.83 176.29 1afr h ARG 288 N -0.71 1.09 0.00 1.69 2.43 -0.94 -0.47 114.38 117.47 1afr h ARG 288 Ca -0.06 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.04 1afr h ARG 288 Cb 0.56 -0.25 0.00 0.00 -0.42 0.00 0.00 29.97 29.86 1afr h ARG 288 CO 0.09 0.72 0.00 -0.07 -1.51 0.00 0.00 179.97 179.20 1afr h LEU 289 N 1.12 0.00 0.00 3.80 4.07 -0.85 -3.47 115.31 119.98 1afr h LEU 289 Ca 0.43 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.39 1afr h LEU 289 Cb 0.21 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.95 1afr h LEU 289 CO -0.17 0.00 0.00 0.61 -1.08 0.00 0.00 178.44 177.80 1afr n GLY 290 N 1.06 0.47 0.15 0.83 0.00 -0.01 -4.94 105.19 102.75 1afr n GLY 290 Ca 0.04 -0.94 -0.23 0.00 0.00 0.00 0.00 46.02 44.90 1afr n GLY 290 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1afr h VAL 291 N 0.00 1.35 -1.35 1.61 2.07 -1.25 -3.44 116.25 115.24 1afr h VAL 291 Ca 0.00 -2.56 -0.09 0.00 0.82 0.00 0.00 66.70 64.87 1afr h VAL 291 Cb 0.11 2.97 -0.25 0.00 -1.52 0.00 0.00 31.29 32.61 1afr h VAL 291 CO 0.00 0.76 -0.47 -0.47 0.02 0.00 0.00 177.57 177.41 1afr s TYR 292 N -2.69 -1.42 0.53 1.57 5.04 -1.17 -4.01 117.35 115.20 1afr s TYR 292 Ca -0.11 0.62 0.01 0.00 -2.44 0.00 0.00 57.07 55.16 1afr s TYR 292 Cb 0.04 0.08 0.03 0.00 0.35 0.00 0.00 41.96 42.45 1afr s TYR 292 CO 0.91 -1.04 0.75 0.95 -1.34 0.00 0.00 175.55 175.78 1afr s THR 293 N 2.59 2.89 0.23 4.34 -4.23 -1.26 -3.46 115.64 116.75 1afr s THR 293 Ca 0.10 -0.64 0.33 0.00 -1.18 0.00 0.00 61.69 60.30 1afr s THR 293 Cb -0.11 -3.08 0.36 0.00 1.34 0.00 0.00 72.50 71.01 1afr s THR 293 CO -0.26 -0.06 2.03 0.00 -0.54 0.00 0.00 174.62 175.79 1afr h ALA 294 N 0.14 1.04 -0.20 3.99 0.00 -1.94 -1.60 119.26 120.69 1afr h ALA 294 Ca -0.43 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.32 1afr h ALA 294 Cb 1.29 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 1afr h ALA 294 CO 0.53 0.07 -0.34 -0.22 0.00 0.00 0.00 179.25 179.29 1afr h LYS 295 N 0.00 0.42 -0.26 0.00 3.64 -1.94 -2.84 116.57 115.58 1afr h LYS 295 Ca -0.00 -0.18 -0.03 0.00 -1.27 0.00 0.00 60.65 59.17 1afr h LYS 295 Cb 0.45 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.25 1afr h LYS 295 CO 0.01 0.71 0.03 -0.44 -2.27 0.00 0.00 179.45 177.49 1afr h ASP 296 N 0.36 0.35 -0.12 4.20 3.32 -1.67 -0.80 116.42 122.05 1afr h ASP 296 Ca 0.04 -0.04 0.02 0.00 0.02 0.00 0.00 57.03 57.07 1afr h ASP 296 Cb 0.77 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 40.21 1afr h ASP 296 CO 0.06 0.38 0.01 0.22 -1.72 0.00 0.00 179.24 178.19 1afr h TYR 297 N 0.38 0.01 -0.13 4.55 5.03 -1.55 0.58 116.97 125.83 1afr h TYR 297 Ca 0.09 0.01 -0.01 0.00 2.58 0.00 0.00 58.73 61.39 1afr h TYR 297 Cb 0.20 0.02 -0.01 0.00 1.55 0.00 0.00 36.73 38.49 1afr h TYR 297 CO 0.01 -0.01 0.03 0.00 -1.32 0.00 0.00 178.16 176.87 1afr h ALA 298 N 1.10 0.17 -1.00 1.82 0.00 -1.50 -2.31 119.26 117.54 1afr h ALA 298 Ca 0.06 -0.14 0.15 0.00 0.00 0.00 0.00 54.91 54.98 1afr h ALA 298 Cb 0.06 -0.05 -0.09 0.00 0.00 0.00 0.00 17.79 17.71 1afr h ALA 298 CO -0.09 -0.19 0.62 -0.44 0.00 0.00 0.00 179.25 179.15 1afr h ASP 299 N 0.00 0.85 -0.40 0.00 5.19 -0.78 0.30 116.42 121.58 1afr h ASP 299 Ca 0.04 0.07 -0.13 0.00 -0.62 0.00 0.00 57.03 56.39 1afr h ASP 299 Cb 0.26 -0.09 -0.01 0.00 0.18 0.00 0.00 39.33 39.67 1afr h ASP 299 CO 0.00 0.39 -0.25 0.40 -3.12 0.00 0.00 179.24 176.65 1afr h ILE 300 N 0.87 1.28 -0.06 0.35 2.04 -0.77 -1.10 117.51 120.12 1afr h ILE 300 Ca 0.53 -1.41 -0.00 0.00 1.00 0.00 0.00 64.86 64.98 1afr h ILE 300 Cb 0.69 1.30 -0.00 0.00 -0.74 0.00 0.00 36.82 38.07 1afr h ILE 300 CO -0.31 0.47 0.03 -0.07 0.00 0.00 0.00 178.15 178.27 1afr h LEU 301 N 0.70 0.07 -0.88 1.44 4.07 -0.34 -1.03 115.31 119.35 1afr h LEU 301 Ca 0.08 -0.07 0.03 0.00 0.08 0.00 0.00 57.88 58.00 1afr h LEU 301 Cb 0.83 -0.02 -0.05 0.00 1.08 0.00 0.00 40.66 42.50 1afr h LEU 301 CO 0.07 0.12 0.57 -0.08 -1.08 0.00 0.00 178.44 178.04 1afr h GLU 302 N 0.01 1.08 -0.10 1.13 4.81 -0.46 -1.04 114.58 120.01 1afr h GLU 302 Ca 0.02 -0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 59.18 1afr h GLU 302 Cb 0.07 -0.24 -0.00 0.00 0.63 0.00 0.00 28.75 29.20 1afr h GLU 302 CO -0.00 0.71 0.05 0.35 -0.73 0.00 0.00 179.01 179.39 1afr h PHE 303 N 1.11 0.14 -0.83 0.92 3.57 -0.85 -2.03 116.94 118.98 1afr h PHE 303 Ca 0.35 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.82 1afr h PHE 303 Cb -0.01 -0.04 -0.04 0.00 2.79 0.00 0.00 35.95 38.65 1afr h PHE 303 CO -0.02 0.21 0.44 -0.07 -2.23 0.00 0.00 178.31 176.65 1afr h LEU 304 N 0.04 1.03 -0.03 0.59 3.38 -0.62 0.62 115.31 120.32 1afr h LEU 304 Ca 0.03 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 1afr h LEU 304 Cb 0.12 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.60 1afr h LEU 304 CO -0.00 0.83 0.02 0.58 0.09 0.00 0.00 178.44 179.96 1afr h VAL 305 N 1.16 1.07 -0.00 1.22 2.07 -1.08 0.05 116.25 120.74 1afr h VAL 305 Ca 0.29 -0.20 -0.10 0.00 0.82 0.00 0.00 66.70 67.51 1afr h VAL 305 Cb 0.04 1.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.94 1afr h VAL 305 CO -0.05 0.06 -0.50 1.23 0.02 0.00 0.00 177.57 178.33 1afr h GLY 306 N -0.03 0.00 1.34 2.17 0.00 -0.98 0.74 103.07 106.31 1afr h GLY 306 Ca 0.01 -0.00 -0.18 0.00 0.00 0.00 0.00 47.33 47.16 1afr h GLY 306 CO -0.00 0.00 -0.60 -0.09 0.00 0.00 0.00 176.54 175.85 1afr h ARG 307 N 0.00 0.68 -0.01 4.80 1.12 0.58 -2.79 114.38 118.76 1afr h ARG 307 Ca -0.00 -0.46 0.00 0.00 -1.11 0.00 0.00 59.98 58.41 1afr h ARG 307 Cb 0.88 0.07 0.00 0.00 -0.01 0.00 0.00 29.97 30.91 1afr h ARG 307 CO 0.06 1.08 -0.25 0.91 -3.11 0.00 0.00 179.97 178.67 1afr n TRP 308 N -3.96 0.00 -3.77 2.20 8.01 -0.02 -4.96 117.44 114.94 1afr n TRP 308 Ca -0.04 0.00 -0.24 0.00 -1.31 0.00 0.00 57.50 55.91 1afr n TRP 308 Cb 0.65 -0.10 0.03 0.00 -2.01 0.00 0.00 31.31 29.87 1afr n TRP 308 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.69 178.31 1afr n LYS 309 N -0.53 -4.90 -0.26 -0.99 5.02 0.16 -4.90 118.16 111.76 1afr n LYS 309 Ca 0.13 0.59 -0.00 0.00 -2.02 0.00 0.00 58.31 57.01 1afr n LYS 309 Cb 0.36 -5.19 0.12 0.00 -0.02 0.00 0.00 35.03 30.30 1afr n LYS 309 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1afr h VAL 310 N -1.91 0.97 0.00 -0.18 2.07 -1.62 -1.55 116.25 114.02 1afr h VAL 310 Ca -0.61 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 66.65 1afr h VAL 310 Cb 1.36 0.13 0.00 0.00 -1.52 0.00 0.00 31.29 31.27 1afr h VAL 310 CO 0.59 0.14 0.00 -0.90 0.02 0.00 0.00 177.57 177.42 1afr n ASP 311 N -4.75 0.49 0.07 0.57 5.68 -1.26 -2.19 116.55 115.16 1afr n ASP 311 Ca 0.10 0.67 0.08 0.00 -0.50 0.00 0.00 54.79 55.14 1afr n ASP 311 Cb 0.20 -0.75 -0.04 0.00 -1.14 0.00 0.00 41.12 39.39 1afr n ASP 311 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1afr n LYS 312 N -2.09 0.61 -1.62 0.11 4.76 -0.59 -4.95 118.16 114.40 1afr n LYS 312 Ca 0.01 0.13 -0.48 0.00 -2.87 0.00 0.00 58.31 55.10 1afr n LYS 312 Cb 0.12 -1.80 -0.04 0.00 -1.84 0.00 0.00 35.03 31.47 1afr n LYS 312 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1afr n LEU 313 N -2.71 2.15 -4.46 -0.35 4.77 -0.93 -4.99 117.00 110.47 1afr n LEU 313 Ca -0.03 1.13 -0.23 0.00 -0.03 0.00 0.00 56.01 56.85 1afr n LEU 313 Cb 0.64 -1.29 -0.10 0.00 -2.33 0.00 0.00 43.42 40.33 1afr n LEU 313 CO 0.41 -0.94 -0.43 0.42 -1.33 0.00 0.00 177.39 175.52 1afr s THR 314 N 0.01 2.16 -1.06 -5.08 -4.23 -1.26 -4.87 115.64 101.31 1afr s THR 314 Ca 0.73 -2.28 -0.13 0.00 -1.18 0.00 0.00 61.69 58.83 1afr s THR 314 Cb -0.79 -2.36 -0.03 0.00 1.34 0.00 0.00 72.50 70.66 1afr s THR 314 CO 0.50 -0.37 0.83 0.61 -0.54 0.00 0.00 174.62 175.64 1afr n GLY 315 N -0.62 -1.10 3.76 3.99 0.00 -1.26 -5.01 105.19 104.96 1afr n GLY 315 Ca -0.06 0.51 -0.31 0.00 0.00 0.00 0.00 46.02 46.17 1afr n GLY 315 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1afr s LEU 316 N -5.79 3.75 0.97 0.99 1.43 -1.26 -5.01 118.68 113.76 1afr s LEU 316 Ca 0.41 -0.01 -0.12 0.00 -1.03 0.00 0.00 54.13 53.38 1afr s LEU 316 Cb -0.11 -2.39 0.11 0.00 0.03 0.00 0.00 46.19 43.83 1afr s LEU 316 CO 0.81 0.19 0.72 -0.24 0.23 0.00 0.00 176.35 178.07 1afr n SER 317 N 0.64 -1.12 -0.23 2.29 2.88 -1.26 -4.40 113.62 112.43 1afr n SER 317 Ca -0.10 0.28 0.14 0.00 -1.33 0.00 0.00 58.87 57.87 1afr n SER 317 Cb 0.52 -1.30 0.45 0.00 -0.75 0.00 0.00 64.21 63.13 1afr n SER 317 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1afr h ALA 318 N -1.84 2.00 -0.01 -1.46 0.00 -1.98 1.26 119.26 117.23 1afr h ALA 318 Ca -0.46 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.39 1afr h ALA 318 Cb 1.29 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 19.00 1afr h ALA 318 CO 0.39 -0.23 -0.28 0.93 0.00 0.00 0.00 179.25 180.06 1afr h GLU 319 N 0.54 0.20 0.00 0.00 4.39 -1.99 -1.74 114.58 115.98 1afr h GLU 319 Ca 0.42 -0.21 -0.02 0.00 0.34 0.00 0.00 59.36 59.90 1afr h GLU 319 Cb 0.84 0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 29.55 1afr h GLU 319 CO -0.17 0.92 -0.09 0.78 -1.16 0.00 0.00 179.01 179.29 1afr h GLY 320 N -0.43 0.00 0.93 -3.84 0.00 -1.51 0.22 103.07 98.44 1afr h GLY 320 Ca -0.03 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.16 1afr h GLY 320 CO 0.05 0.00 -0.40 -1.61 0.00 0.00 0.00 176.54 174.58 1afr h GLN 321 N 0.00 0.61 -0.29 4.80 4.15 0.16 -1.37 115.11 123.17 1afr h GLN 321 Ca -0.00 -0.40 -0.01 0.00 0.77 0.00 0.00 58.65 59.00 1afr h GLN 321 Cb 0.23 0.05 -0.01 0.00 0.21 0.00 0.00 27.48 27.96 1afr h GLN 321 CO 0.01 1.02 0.13 -0.22 -1.93 0.00 0.00 178.83 177.84 1afr h LYS 322 N 0.29 0.42 0.43 1.69 3.64 -0.19 -2.51 116.57 120.33 1afr h LYS 322 Ca 0.00 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.30 1afr h LYS 322 Cb 1.01 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.75 1afr h LYS 322 CO 0.09 0.42 -0.28 0.00 -2.27 0.00 0.00 179.45 177.41 1afr h ALA 323 N 0.98 -0.69 -0.67 5.00 0.00 -0.56 -0.53 119.26 122.79 1afr h ALA 323 Ca 0.10 -0.13 0.13 0.00 0.00 0.00 0.00 54.91 55.01 1afr h ALA 323 Cb 0.15 0.36 -0.09 0.00 0.00 0.00 0.00 17.79 18.20 1afr h ALA 323 CO -0.01 -0.90 0.18 0.37 0.00 0.00 0.00 179.25 178.89 1afr h GLN 324 N -0.69 0.30 -0.11 0.00 4.15 -1.24 0.11 115.11 117.63 1afr h GLN 324 Ca -0.04 -0.02 -0.00 0.00 0.77 0.00 0.00 58.65 59.35 1afr h GLN 324 Cb 0.57 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 28.19 1afr h GLN 324 CO 0.03 0.20 0.06 0.22 -1.93 0.00 0.00 178.83 177.41 1afr h ASP 325 N 0.31 0.14 -0.19 -0.69 3.58 -1.22 -0.84 116.42 117.51 1afr h ASP 325 Ca 0.37 -0.10 0.05 0.00 0.42 0.00 0.00 57.03 57.77 1afr h ASP 325 Cb 0.57 -0.04 -0.05 0.00 1.72 0.00 0.00 39.33 41.53 1afr h ASP 325 CO -0.43 0.20 -0.10 0.22 -2.88 0.00 0.00 179.24 176.25 1afr h TYR 326 N 0.08 -0.23 -0.34 0.28 3.20 0.25 -0.87 116.97 119.33 1afr h TYR 326 Ca 0.04 0.02 0.01 0.00 3.14 0.00 0.00 58.73 61.94 1afr h TYR 326 Cb 0.09 0.13 -0.02 0.00 1.54 0.00 0.00 36.73 38.47 1afr h TYR 326 CO -0.04 -0.15 0.21 0.28 -1.64 0.00 0.00 178.16 176.82 1afr h VAL 327 N -0.08 1.05 -0.14 1.81 2.07 -0.76 -1.59 116.25 118.61 1afr h VAL 327 Ca 0.11 -0.15 -0.08 0.00 0.82 0.00 0.00 66.70 67.40 1afr h VAL 327 Cb 0.24 0.59 -0.01 0.00 -1.52 0.00 0.00 31.29 30.59 1afr h VAL 327 CO -0.25 0.08 -0.25 0.00 0.02 0.00 0.00 177.57 177.17 1afr h ARG 329 N 0.23 0.00 0.18 0.00 3.08 -1.05 -3.40 114.38 113.42 1afr h ARG 329 Ca 0.04 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.08 1afr h ARG 329 Cb 0.58 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.63 1afr h ARG 329 CO 0.04 0.00 -0.10 1.25 -1.07 0.00 0.00 179.97 180.09 1afr h LEU 330 N 0.00 -0.24 -0.62 3.04 5.85 -1.24 -3.04 115.31 119.06 1afr h LEU 330 Ca 0.00 0.01 0.09 0.00 0.84 0.00 0.00 57.88 58.82 1afr h LEU 330 Cb 0.96 0.07 -0.11 0.00 0.37 0.00 0.00 40.66 41.95 1afr h LEU 330 CO 0.00 -0.17 -0.47 -0.65 -0.34 0.00 0.00 178.44 176.82 1afr h PRO 331 N -0.27 -0.21 0.00 5.25 0.11 -1.78 0.18 132.00 135.29 1afr h PRO 331 Ca -0.02 0.01 -0.04 0.00 0.11 0.00 0.00 66.00 66.06 1afr h PRO 331 Cb 0.21 0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.37 1afr h PRO 331 CO 0.03 -0.14 -0.19 -1.35 -0.21 0.00 0.00 178.00 176.14 1afr h PRO 332 N -0.22 0.00 -0.05 1.05 0.11 -1.84 0.03 132.00 131.07 1afr h PRO 332 Ca 0.17 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.27 1afr h PRO 332 Cb 0.56 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.66 1afr h PRO 332 CO -0.72 0.19 0.00 -0.09 -0.21 0.00 0.00 178.00 177.17 1afr h ARG 333 N 0.00 0.09 -0.37 1.05 2.43 -0.91 -2.68 114.38 114.00 1afr h ARG 333 Ca -0.00 -0.03 -0.05 0.00 -0.81 0.00 0.00 59.98 59.09 1afr h ARG 333 Cb 0.38 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.91 1afr h ARG 333 CO 0.02 0.36 0.05 0.82 -1.51 0.00 0.00 179.97 179.72 1afr h ILE 334 N -0.18 1.24 -0.72 1.20 2.04 -0.27 -2.80 117.51 118.02 1afr h ILE 334 Ca 0.02 -0.86 0.15 0.00 1.00 0.00 0.00 64.86 65.16 1afr h ILE 334 Cb 0.31 1.09 -0.14 0.00 -0.74 0.00 0.00 36.82 37.35 1afr h ILE 334 CO 0.00 0.29 -0.16 -0.09 0.00 0.00 0.00 178.15 178.20 1afr h ARG 335 N 0.46 0.01 -0.44 2.37 2.43 -0.95 0.27 114.38 118.52 1afr h ARG 335 Ca 0.11 -0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.24 1afr h ARG 335 Cb 0.37 -0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.90 1afr h ARG 335 CO 0.01 0.01 0.09 0.00 -1.51 0.00 0.00 179.97 178.57 1afr h ARG 336 N 0.01 0.66 0.31 0.20 3.08 -1.24 -0.02 114.38 117.39 1afr h ARG 336 Ca 0.35 -0.13 -0.02 0.00 0.07 0.00 0.00 59.98 60.26 1afr h ARG 336 Cb 0.55 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.50 1afr h ARG 336 CO -0.73 0.62 -0.15 1.25 -1.07 0.00 0.00 179.97 179.89 1afr h LEU 337 N 0.64 -0.36 -0.38 3.04 5.85 -0.33 -3.36 115.31 120.42 1afr h LEU 337 Ca 0.14 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.88 1afr h LEU 337 Cb 0.27 0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.39 1afr h LEU 337 CO -0.00 -0.11 0.00 -0.62 -0.34 0.00 0.00 178.44 177.37 1afr n GLU 338 N -3.95 1.26 -0.02 1.25 1.02 0.01 -3.88 120.64 116.32 1afr n GLU 338 Ca -0.05 -0.38 -0.16 0.00 -0.02 0.00 0.00 57.16 56.55 1afr n GLU 338 Cb 0.17 -1.46 -0.11 0.00 -0.02 0.00 0.00 31.44 30.01 1afr n GLU 338 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 1afr h GLU 339 N 0.90 0.26 -3.83 3.49 4.81 -1.13 -3.39 114.58 115.68 1afr h GLU 339 Ca 0.00 -0.27 -0.75 0.00 -0.13 0.00 0.00 59.36 58.21 1afr h GLU 339 Cb 0.19 0.07 -0.29 0.00 0.63 0.00 0.00 28.75 29.35 1afr h GLU 339 CO 0.00 0.97 -0.12 0.50 -0.73 0.00 0.00 179.01 179.62 1afr s ARG 340 N -3.22 3.11 -0.80 1.92 3.52 -1.25 -5.00 118.95 117.23 1afr s ARG 340 Ca -0.15 -2.35 -0.15 0.00 -0.13 0.00 0.00 55.73 52.95 1afr s ARG 340 Cb 0.02 -4.15 0.19 0.00 -1.56 0.00 0.00 34.95 29.45 1afr s ARG 340 CO 0.77 -1.25 0.79 0.00 -0.81 0.00 0.00 175.30 174.80 1afr s ALA 341 N 0.33 3.90 -1.04 6.12 0.00 -1.26 -4.98 121.76 124.82 1afr s ALA 341 Ca 0.15 -3.10 -0.14 0.00 0.00 0.00 0.00 51.96 48.87 1afr s ALA 341 Cb -0.17 -3.58 0.19 0.00 0.00 0.00 0.00 23.12 19.57 1afr s ALA 341 CO -0.05 -2.36 1.16 -1.14 0.00 0.00 0.00 175.76 173.37 1afr s GLN 342 N 0.82 3.90 0.00 0.00 0.74 -1.26 -3.02 119.66 120.84 1afr s GLN 342 Ca 0.18 -2.47 0.00 0.00 0.05 0.00 0.00 55.36 53.12 1afr s GLN 342 Cb -0.12 -4.80 0.00 0.00 1.10 0.00 0.00 33.01 29.19 1afr s GLN 342 CO -0.07 -1.57 0.00 0.41 -0.55 0.00 0.00 175.29 173.51 1afr n GLY 343 N 4.16 -0.97 0.19 2.59 0.00 -1.26 -4.91 105.19 105.00 1afr n GLY 343 Ca 0.26 0.43 0.07 0.00 0.00 0.00 0.00 46.02 46.79 1afr n GLY 343 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1afr h ARG 344 N 0.00 0.00 -0.69 1.61 9.65 -1.89 -0.94 114.38 122.12 1afr h ARG 344 Ca 0.00 0.00 0.06 0.00 -1.10 0.00 0.00 59.98 58.94 1afr h ARG 344 Cb 0.00 0.00 -0.06 0.00 -1.39 0.00 0.00 29.97 28.52 1afr h ARG 344 CO 0.00 0.33 0.40 0.00 2.80 0.00 0.00 179.97 183.49 1afr h ALA 345 N 1.67 0.93 0.00 2.80 0.00 -1.89 -3.35 119.26 119.42 1afr h ALA 345 Ca -0.00 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1afr h ALA 345 Cb 0.95 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1afr h ALA 345 CO 0.04 0.08 -0.50 1.63 0.00 0.00 0.00 179.25 180.50 1afr n LYS 346 N -4.76 0.33 0.00 0.00 4.76 -1.22 -4.80 118.16 112.47 1afr n LYS 346 Ca 0.09 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.53 1afr n LYS 346 Cb 0.17 -0.75 0.00 0.00 -1.84 0.00 0.00 35.03 32.61 1afr n LYS 346 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1afr n GLU 347 N -1.88 0.93 -2.73 1.97 1.02 -0.36 -4.87 120.64 114.72 1afr n GLU 347 Ca 0.00 0.00 -0.43 0.00 -0.02 0.00 0.00 57.16 56.71 1afr n GLU 347 Cb 0.25 -1.09 -0.03 0.00 -0.02 0.00 0.00 31.44 30.56 1afr n GLU 347 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1afr s ALA 348 N -0.07 3.64 1.03 0.62 0.00 -1.24 -4.84 121.76 120.90 1afr s ALA 348 Ca 0.00 0.12 -0.14 0.00 0.00 0.00 0.00 51.96 51.94 1afr s ALA 348 Cb 0.00 -3.45 0.21 0.00 0.00 0.00 0.00 23.12 19.87 1afr s ALA 348 CO 0.00 -0.95 1.12 -1.25 0.00 0.00 0.00 175.76 174.68 1afr s PRO 349 N 2.92 0.14 0.05 0.00 0.04 -1.26 -4.42 135.00 132.47 1afr s PRO 349 Ca 0.42 0.26 -0.02 0.00 0.04 0.00 0.00 61.00 61.71 1afr s PRO 349 Cb -0.16 -1.73 -0.04 0.00 0.04 0.00 0.00 34.50 32.62 1afr s PRO 349 CO 0.08 -2.87 0.23 0.99 0.04 0.00 0.00 177.00 175.47 1afr s THR 350 N -3.09 5.36 -0.07 1.26 2.01 -1.26 -0.79 115.64 119.06 1afr s THR 350 Ca 0.67 -0.24 -0.13 0.00 0.31 0.00 0.00 61.69 62.30 1afr s THR 350 Cb -0.15 -3.61 0.03 0.00 0.01 0.00 0.00 72.50 68.78 1afr s THR 350 CO 0.56 0.18 0.32 -0.32 -0.69 0.00 0.00 174.62 174.67 1afr s MET 351 N -2.36 0.51 0.19 4.92 0.00 -0.04 -4.92 119.30 117.61 1afr s MET 351 Ca 0.34 0.16 -0.23 0.00 0.00 0.00 0.00 55.69 55.96 1afr s MET 351 Cb -0.13 0.24 -0.08 0.00 0.00 0.00 0.00 34.83 34.86 1afr s MET 351 CO 0.25 -0.11 0.75 -1.25 0.00 0.00 0.00 175.02 174.66 1afr s PRO 352 N -0.52 4.42 -0.06 4.11 0.04 -1.26 -0.70 135.00 141.03 1afr s PRO 352 Ca -0.06 1.03 0.05 0.00 0.04 0.00 0.00 61.00 62.06 1afr s PRO 352 Cb -0.04 -3.08 -0.01 0.00 0.04 0.00 0.00 34.50 31.42 1afr s PRO 352 CO 0.02 0.49 -0.23 -0.06 0.04 0.00 0.00 177.00 177.26 1afr s PHE 353 N -1.33 2.26 0.25 0.56 0.40 -0.85 -4.95 117.98 114.33 1afr s PHE 353 Ca 0.39 -0.73 0.32 0.00 -0.60 0.00 0.00 56.93 56.32 1afr s PHE 353 Cb -0.20 -1.50 1.46 0.00 0.51 0.00 0.00 43.02 43.29 1afr s PHE 353 CO 0.24 -0.25 2.03 0.66 0.70 0.00 0.00 175.22 178.60 1afr h SER 354 N 6.27 0.00 0.25 1.36 4.64 -1.93 -0.29 113.55 123.85 1afr h SER 354 Ca -0.29 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.01 1afr h SER 354 Cb 1.19 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.28 1afr h SER 354 CO 0.47 0.06 -0.08 -0.50 -0.87 0.00 0.00 176.83 175.92 1afr h TRP 355 N 0.00 0.00 -0.96 4.77 6.55 -1.91 -2.66 115.95 121.74 1afr h TRP 355 Ca -0.00 0.00 -0.56 0.00 0.95 0.00 0.00 58.89 59.28 1afr h TRP 355 Cb 0.45 0.00 -0.43 0.00 -0.86 0.00 0.00 29.16 28.32 1afr h TRP 355 CO 0.00 0.08 -0.78 0.44 -1.05 0.00 0.00 178.44 177.13 1afr n ILE 356 N -3.68 2.50 -2.93 1.49 -5.35 -0.82 -0.45 119.36 110.12 1afr n ILE 356 Ca -0.02 -4.40 -0.21 0.00 -0.27 0.00 0.00 62.75 57.85 1afr n ILE 356 Cb 0.19 -1.17 0.01 0.00 -1.74 0.00 0.00 39.64 36.92 1afr n ILE 356 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 1afr n PHE 357 N -0.65 -1.70 -1.45 4.28 3.72 -1.00 -1.62 117.46 119.04 1afr n PHE 357 Ca 0.43 0.35 -0.13 0.00 -0.05 0.00 0.00 57.45 58.05 1afr n PHE 357 Cb 0.88 -3.77 -0.05 0.00 -0.94 0.00 0.00 39.48 35.60 1afr n PHE 357 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 1afr n ASP 358 N -2.28 -4.58 -4.79 4.37 8.00 -0.18 -4.98 116.55 112.10 1afr n ASP 358 Ca -0.11 0.31 -0.33 0.00 0.71 0.00 0.00 54.79 55.36 1afr n ASP 358 Cb 0.61 -3.29 0.02 0.00 -0.02 0.00 0.00 41.12 38.44 1afr n ASP 358 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1afr s ARG 359 N -3.23 3.16 -0.03 -1.24 0.52 -0.64 -4.47 118.95 113.01 1afr s ARG 359 Ca 0.00 1.30 0.01 0.00 -0.52 0.00 0.00 55.73 56.52 1afr s ARG 359 Cb 0.00 -2.00 -0.03 0.00 0.52 0.00 0.00 34.95 33.43 1afr s ARG 359 CO 0.00 -0.95 -0.01 -0.65 0.02 0.00 0.00 175.30 173.71 1afr s GLN 360 N -4.00 2.82 0.13 3.54 -0.21 -1.26 -2.01 119.66 118.67 1afr s GLN 360 Ca 0.65 -0.55 0.06 0.00 0.02 0.00 0.00 55.36 55.54 1afr s GLN 360 Cb -0.18 -2.68 -0.04 0.00 1.00 0.00 0.00 33.01 31.11 1afr s GLN 360 CO 0.37 0.65 -0.13 0.14 -2.12 0.00 0.00 175.29 174.20 1afr s VAL 361 N -0.98 1.35 0.37 1.09 -7.23 0.12 -4.85 120.40 110.27 1afr s VAL 361 Ca 0.17 -1.82 -0.26 0.00 -1.81 0.00 0.00 61.98 58.26 1afr s VAL 361 Cb -0.11 -1.63 -0.09 0.00 0.56 0.00 0.00 36.38 35.11 1afr s VAL 361 CO 0.07 -0.48 1.14 -0.75 -0.31 0.00 0.00 175.10 174.76 1afr s LYS 362 N -2.93 4.22 0.00 4.82 2.20 -1.26 -0.86 119.74 125.93 1afr s LYS 362 Ca 0.11 1.78 0.27 0.00 -0.36 0.00 0.00 55.97 57.78 1afr s LYS 362 Cb -0.03 -2.78 0.85 0.00 -1.51 0.00 0.00 37.83 34.36 1afr s LYS 362 CO 0.03 -0.16 1.63 1.28 -0.36 0.00 0.00 175.35 177.78