#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 -0.01 2.12 0.02 -1.26 -4.94 135.00 135.17 1afr s PRO 20 Ca 0.00 2.31 -0.30 0.00 0.02 0.00 0.00 61.00 63.03 1afr s PRO 20 Cb 0.00 -3.14 -0.06 0.00 0.02 0.00 0.00 34.50 31.32 1afr s PRO 20 CO 0.00 -0.50 1.59 -2.14 -0.33 0.00 0.00 177.00 175.62 1afr s PRO 21 N 0.34 4.21 0.00 5.54 0.02 -1.26 -5.02 135.00 138.83 1afr s PRO 21 Ca 0.64 2.16 0.00 0.00 0.02 0.00 0.00 61.00 63.82 1afr s PRO 21 Cb -0.42 -3.79 0.00 0.00 0.02 0.00 0.00 34.50 30.31 1afr s PRO 21 CO 0.38 -0.75 0.00 0.54 -0.33 0.00 0.00 177.00 176.83 1afr n ARG 22 N 6.34 0.72 -3.73 5.54 1.74 -1.26 -4.80 116.66 121.22 1afr n ARG 22 Ca 0.16 0.00 -0.36 0.00 -0.77 0.00 0.00 57.85 56.88 1afr n ARG 22 Cb 0.42 0.00 -0.08 0.00 -1.02 0.00 0.00 32.46 31.79 1afr n ARG 22 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1afr s GLU 23 N -2.17 4.07 -0.78 5.56 0.41 -1.26 -5.00 118.70 119.53 1afr s GLU 23 Ca 0.00 -0.16 -0.04 0.00 -0.41 0.00 0.00 54.97 54.36 1afr s GLU 23 Cb 0.00 -3.38 0.16 0.00 -1.78 0.00 0.00 34.13 29.13 1afr s GLU 23 CO 0.00 0.38 2.45 1.33 -0.49 0.00 0.00 175.26 178.92 1afr n VAL 24 N 3.25 4.10 -3.88 2.63 0.24 -1.26 -4.90 118.33 118.51 1afr n VAL 24 Ca -0.16 -3.85 -0.10 0.00 -2.04 0.00 0.00 64.34 58.18 1afr n VAL 24 Cb 0.52 -1.63 -0.09 0.00 -1.47 0.00 0.00 33.84 31.18 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 -2.32 0.11 0.14 6.34 3.76 -1.26 -5.15 115.29 116.91 1afr s HIS 25 Ca 0.54 -0.35 -0.24 0.00 -0.15 0.00 0.00 55.06 54.87 1afr s HIS 25 Cb 0.33 -0.08 -0.08 0.00 1.11 0.00 0.00 32.58 33.87 1afr s HIS 25 CO -0.22 -0.38 0.72 0.14 -0.85 0.00 0.00 174.74 174.14 1afr s VAL 26 N -2.42 4.47 -0.39 -0.90 -7.23 -1.26 -4.98 120.40 107.69 1afr s VAL 26 Ca -0.06 1.57 -0.27 0.00 -1.81 0.00 0.00 61.98 61.40 1afr s VAL 26 Cb -0.02 -4.07 -0.04 0.00 0.56 0.00 0.00 36.38 32.81 1afr s VAL 26 CO -0.03 0.53 2.03 -1.10 -0.31 0.00 0.00 175.10 176.22 1afr s GLN 27 N -1.12 2.91 -0.37 4.82 -0.21 -1.26 -4.93 119.66 119.49 1afr s GLN 27 Ca 0.34 1.42 -0.02 0.00 0.02 0.00 0.00 55.36 57.11 1afr s GLN 27 Cb -0.22 -4.35 0.09 0.00 1.00 0.00 0.00 33.01 29.53 1afr s GLN 27 CO 0.24 -2.36 0.13 0.08 -2.12 0.00 0.00 175.29 171.26 1afr s VAL 28 N 8.70 3.17 0.00 1.09 1.01 -1.26 -5.08 120.40 128.03 1afr s VAL 28 Ca 0.86 -1.83 0.03 0.00 0.00 0.00 0.00 61.98 61.03 1afr s VAL 28 Cb -0.22 -3.07 -0.03 0.00 0.00 0.00 0.00 36.38 33.06 1afr s VAL 28 CO 0.30 -0.49 -0.04 0.42 0.00 0.00 0.00 175.10 175.28 1afr s THR 29 N 1.17 3.83 -0.52 3.92 -4.23 -1.26 -4.28 115.64 114.27 1afr s THR 29 Ca 0.04 -0.72 -0.15 0.00 -1.18 0.00 0.00 61.69 59.68 1afr s THR 29 Cb -0.22 -2.69 0.02 0.00 1.34 0.00 0.00 72.50 70.96 1afr s THR 29 CO -0.03 0.38 0.63 1.41 -0.54 0.00 0.00 174.62 176.47 1afr n HIS 30 N 1.47 -3.20 0.72 3.99 8.25 -0.76 -4.96 115.22 120.74 1afr n HIS 30 Ca -0.15 1.28 0.08 0.00 -0.26 0.00 0.00 57.72 58.67 1afr n HIS 30 Cb 0.53 -3.73 -0.02 0.00 1.12 0.00 0.00 29.99 27.89 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 -0.74 1.45 -4.69 0.41 3.41 -0.93 -4.94 113.62 107.59 1afr n SER 31 Ca 0.04 -1.23 -0.38 0.00 -0.26 0.00 0.00 58.87 57.04 1afr n SER 31 Cb 0.51 0.58 -0.07 0.00 -0.26 0.00 0.00 64.21 64.97 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 -2.03 4.26 -0.07 4.33 0.00 -1.26 -5.02 119.30 119.51 1afr s MET 32 Ca 0.12 0.38 -0.37 0.00 0.00 0.00 0.00 55.69 55.82 1afr s MET 32 Cb 0.13 -3.50 -0.15 0.00 0.00 0.00 0.00 34.83 31.31 1afr s MET 32 CO 0.46 0.02 1.59 -2.30 0.00 0.00 0.00 175.02 174.78 1afr n PRO 33 N 4.20 1.39 -0.29 4.11 -0.02 -1.26 -4.88 135.00 138.24 1afr n PRO 33 Ca -0.07 0.50 0.11 0.00 -2.02 0.00 0.00 63.50 62.03 1afr n PRO 33 Cb 0.51 -2.20 0.27 0.00 -0.02 0.00 0.00 33.50 32.06 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 6.29 0.41 -0.01 0.52 0.11 -1.98 0.29 132.00 137.63 1afr h PRO 34 Ca -0.47 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1afr h PRO 34 Cb 1.31 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.33 1afr h PRO 34 CO 0.88 0.27 0.03 -0.56 -0.21 0.00 0.00 178.00 178.41 1afr h GLN 35 N 0.42 0.00 0.00 1.05 3.07 -2.04 -0.31 115.11 117.30 1afr h GLN 35 Ca 0.52 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.26 1afr h GLN 35 Cb 0.93 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.49 1afr h GLN 35 CO -0.49 0.00 0.00 1.63 0.09 0.00 0.00 178.83 180.06 1afr n LYS 36 N -3.37 0.03 0.23 0.06 5.02 0.10 -2.81 118.16 117.41 1afr n LYS 36 Ca -0.03 0.08 0.08 0.00 -2.02 0.00 0.00 58.31 56.42 1afr n LYS 36 Cb 0.11 -1.54 0.55 0.00 -0.02 0.00 0.00 35.03 34.13 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 0.91 0.00 -0.18 2.04 -1.14 -2.37 117.51 116.77 1afr h ILE 37 Ca 0.00 -0.81 0.00 0.00 1.00 0.00 0.00 64.86 65.05 1afr h ILE 37 Cb 0.46 1.47 0.00 0.00 -0.74 0.00 0.00 36.82 38.01 1afr h ILE 37 CO 0.00 0.21 0.00 -0.33 0.00 0.00 0.00 178.15 178.03 1afr h GLU 38 N 0.00 0.00 -0.08 2.37 4.39 -1.70 -3.09 114.58 116.48 1afr h GLU 38 Ca -0.00 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.68 1afr h GLU 38 Cb 0.45 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.10 1afr h GLU 38 CO 0.03 0.00 -0.02 0.82 -1.16 0.00 0.00 179.01 178.67 1afr h ILE 39 N 0.00 1.30 0.00 3.13 2.04 -1.63 -2.75 117.51 119.61 1afr h ILE 39 Ca 0.00 -0.97 -0.08 0.00 1.00 0.00 0.00 64.86 64.81 1afr h ILE 39 Cb 0.43 1.80 -0.01 0.00 -0.74 0.00 0.00 36.82 38.30 1afr h ILE 39 CO 0.00 0.27 -0.39 -0.26 0.00 0.00 0.00 178.15 177.77 1afr h PHE 40 N -0.20 0.00 -0.34 1.37 0.04 -1.70 -0.56 116.94 115.55 1afr h PHE 40 Ca 0.02 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.78 1afr h PHE 40 Cb 0.44 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.57 1afr h PHE 40 CO 0.06 0.39 0.19 0.87 -0.60 0.00 0.00 178.31 179.21 1afr h LYS 41 N 0.00 0.48 -0.26 1.51 1.79 -1.49 -2.88 116.57 115.71 1afr h LYS 41 Ca -0.00 -0.06 -0.04 0.00 -2.18 0.00 0.00 60.65 58.37 1afr h LYS 41 Cb 0.69 -0.09 -0.01 0.00 -1.58 0.00 0.00 32.23 31.24 1afr h LYS 41 CO 0.05 0.40 0.00 0.77 -1.08 0.00 0.00 179.45 179.59 1afr h SER 42 N 0.43 0.45 0.00 0.86 0.02 -1.11 -3.04 113.55 111.16 1afr h SER 42 Ca 0.12 -0.30 0.00 0.00 -0.84 0.00 0.00 61.79 60.77 1afr h SER 42 Cb 0.06 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.48 1afr h SER 42 CO -0.02 0.64 0.00 0.18 -1.14 0.00 0.00 176.83 176.49 1afr n LEU 43 N -4.62 0.02 -0.17 5.07 4.77 -0.27 -3.93 117.00 117.88 1afr n LEU 43 Ca -0.03 -0.01 -0.08 0.00 -0.03 0.00 0.00 56.01 55.86 1afr n LEU 43 Cb 0.24 -0.01 0.01 0.00 -2.33 0.00 0.00 43.42 41.33 1afr n LEU 43 CO 0.38 0.01 1.02 -0.78 -1.33 0.00 0.00 177.39 176.69 1afr h ASP 44 N 0.02 0.62 1.74 -1.43 3.58 -1.40 0.20 116.42 119.76 1afr h ASP 44 Ca 0.00 -0.09 -0.00 0.00 0.42 0.00 0.00 57.03 57.36 1afr h ASP 44 Cb 0.01 -0.16 -0.00 0.00 1.72 0.00 0.00 39.33 40.90 1afr h ASP 44 CO 0.00 0.53 -0.01 0.78 -2.88 0.00 0.00 179.24 177.66 1afr h ASN 45 N 0.66 0.00 -0.15 2.28 2.35 -1.86 -1.76 115.58 117.10 1afr h ASN 45 Ca 0.18 0.00 -0.13 0.00 -0.55 0.00 0.00 56.30 55.79 1afr h ASN 45 Cb 0.05 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.42 1afr h ASN 45 CO -0.03 0.01 -0.42 -0.25 -1.65 0.00 0.00 177.43 175.09 1afr h TRP 46 N 0.00 0.72 -0.38 1.19 7.01 -1.66 -2.64 115.95 120.19 1afr h TRP 46 Ca -0.00 -0.28 -0.02 0.00 2.11 0.00 0.00 58.89 60.70 1afr h TRP 46 Cb 0.89 -0.12 -0.02 0.00 -2.10 0.00 0.00 29.16 27.80 1afr h TRP 46 CO 0.00 1.04 0.15 0.00 -2.79 0.00 0.00 178.44 176.84 1afr h ALA 47 N 0.54 0.49 0.00 2.65 0.00 -0.84 0.21 119.26 122.32 1afr h ALA 47 Ca -0.01 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1afr h ALA 47 Cb 1.04 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1afr h ALA 47 CO 0.09 0.09 0.05 1.49 0.00 0.00 0.00 179.25 180.98 1afr h GLU 48 N 0.47 0.00 0.00 0.00 4.81 -1.26 -0.33 114.58 118.28 1afr h GLU 48 Ca 0.13 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.29 1afr h GLU 48 Cb 0.18 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.55 1afr h GLU 48 CO -0.01 0.00 -1.44 0.39 -0.73 0.00 0.00 179.01 177.22 1afr n GLU 49 N -2.62 1.40 -0.04 1.92 1.02 -0.84 -4.70 120.64 116.78 1afr n GLU 49 Ca -0.02 -0.04 -0.05 0.00 -0.02 0.00 0.00 57.16 57.03 1afr n GLU 49 Cb 0.10 -1.19 -0.06 0.00 -0.02 0.00 0.00 31.44 30.27 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 -2.01 3.17 -0.11 1.62 3.02 0.69 -4.71 115.26 116.93 1afr n ASN 50 Ca -0.06 -0.01 -0.20 0.00 -0.03 0.00 0.00 54.58 54.27 1afr n ASN 50 Cb 0.46 0.46 -0.08 0.00 -0.61 0.00 0.00 39.78 40.00 1afr n ASN 50 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 1afr n ILE 51 N -2.42 1.51 0.00 2.41 5.41 -0.19 -4.39 119.36 121.69 1afr n ILE 51 Ca -0.14 -0.11 0.00 0.00 1.00 0.00 0.00 62.75 63.51 1afr n ILE 51 Cb 0.73 -2.09 0.00 0.00 -0.71 0.00 0.00 39.64 37.57 1afr n ILE 51 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 1afr n LEU 52 N -4.39 0.00 0.04 1.39 4.77 -0.88 -0.41 117.00 117.52 1afr n LEU 52 Ca -0.34 0.20 0.13 0.00 -0.03 0.00 0.00 56.01 55.96 1afr n LEU 52 Cb 0.68 -0.20 0.34 0.00 -2.33 0.00 0.00 43.42 41.91 1afr n LEU 52 CO 0.12 -0.20 0.62 1.33 -1.33 0.00 0.00 177.39 177.93 1afr n VAL 53 N -1.17 0.20 1.62 4.08 0.24 -1.26 -3.50 118.33 118.54 1afr n VAL 53 Ca 0.00 -0.13 0.14 0.00 -2.04 0.00 0.00 64.34 62.31 1afr n VAL 53 Cb 0.02 -0.18 0.61 0.00 -1.47 0.00 0.00 33.84 32.82 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 -1.81 0.03 -3.27 6.34 8.25 0.45 -4.81 115.22 120.40 1afr n HIS 54 Ca 0.05 -0.02 -0.38 0.00 -0.26 0.00 0.00 57.72 57.11 1afr n HIS 54 Cb 0.38 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.43 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 -1.91 4.23 -0.02 2.41 1.43 -1.23 -4.81 118.68 118.79 1afr s LEU 55 Ca 0.39 0.79 -0.29 0.00 -1.03 0.00 0.00 54.13 54.00 1afr s LEU 55 Cb 0.20 -2.73 -0.03 0.00 0.03 0.00 0.00 46.19 43.66 1afr s LEU 55 CO 0.33 -0.07 0.93 -0.75 0.23 0.00 0.00 176.35 177.02 1afr s LYS 56 N 0.98 4.53 0.29 1.70 2.47 -1.26 -5.00 119.74 123.45 1afr s LYS 56 Ca 0.26 1.32 -0.29 0.00 -1.56 0.00 0.00 55.97 55.70 1afr s LYS 56 Cb -0.15 -3.46 -0.10 0.00 -1.46 0.00 0.00 37.83 32.65 1afr s LYS 56 CO 0.10 -0.04 1.38 -1.25 0.16 0.00 0.00 175.35 175.70 1afr s PRO 57 N 1.03 4.30 0.32 4.03 0.04 -1.26 -4.85 135.00 138.60 1afr s PRO 57 Ca 0.49 2.26 0.05 0.00 0.04 0.00 0.00 61.00 63.84 1afr s PRO 57 Cb -0.20 -3.09 0.84 0.00 0.04 0.00 0.00 34.50 32.09 1afr s PRO 57 CO 0.26 -0.32 1.54 0.28 0.04 0.00 0.00 177.00 178.80 1afr n VAL 58 N 1.61 -0.41 0.30 -0.36 0.31 -1.26 -0.15 118.33 118.37 1afr n VAL 58 Ca 0.04 2.14 0.19 0.00 -0.01 0.00 0.00 64.34 66.69 1afr n VAL 58 Cb 0.41 -3.18 0.92 0.00 -0.91 0.00 0.00 33.84 31.08 1afr n VAL 58 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 1afr h GLU 59 N 0.00 0.00 -0.33 5.55 4.39 -2.02 -2.30 114.58 119.88 1afr h GLU 59 Ca 0.63 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.33 1afr h GLU 59 Cb 1.39 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.04 1afr h GLU 59 CO -0.90 0.02 0.00 1.63 -1.16 0.00 0.00 179.01 178.60 1afr n LYS 60 N -3.17 3.09 -3.86 2.33 5.02 0.79 -5.00 118.16 117.36 1afr n LYS 60 Ca -0.01 -2.65 -0.33 0.00 -2.02 0.00 0.00 58.31 53.30 1afr n LYS 60 Cb 0.20 -1.72 -0.05 0.00 -0.02 0.00 0.00 35.03 33.45 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 -1.39 3.22 0.09 0.00 1.48 -1.26 -5.03 118.94 116.05 1afr s TRP 62 Ca 0.30 1.49 0.09 0.00 -1.06 0.00 0.00 56.10 56.92 1afr s TRP 62 Cb -0.13 -2.90 -0.03 0.00 -1.16 0.00 0.00 33.47 29.25 1afr s TRP 62 CO 0.21 -0.75 -0.22 -0.65 -4.06 0.00 0.00 176.95 171.47 1afr s GLN 63 N -4.07 1.25 0.35 3.25 -1.52 -1.26 -5.04 119.66 112.62 1afr s GLN 63 Ca 0.61 -1.15 0.14 0.00 -1.95 0.00 0.00 55.36 53.02 1afr s GLN 63 Cb -0.13 -1.52 1.13 0.00 -0.22 0.00 0.00 33.01 32.26 1afr s GLN 63 CO 0.34 0.37 1.60 -1.35 -0.25 0.00 0.00 175.29 175.99 1afr h PRO 64 N 4.24 0.07 -0.04 2.91 0.11 -1.98 0.27 132.00 137.58 1afr h PRO 64 Ca -0.46 -0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.65 1afr h PRO 64 Cb 1.17 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 1afr h PRO 64 CO 0.40 0.05 0.08 0.37 -0.21 0.00 0.00 178.00 178.69 1afr h GLN 65 N 0.07 0.00 0.00 1.05 5.75 -1.96 -0.70 115.11 119.32 1afr h GLN 65 Ca 0.75 0.00 -0.02 0.00 -0.15 0.00 0.00 58.65 59.24 1afr h GLN 65 Cb 1.84 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 30.39 1afr h GLN 65 CO -0.77 0.00 -0.08 -0.44 -2.65 0.00 0.00 178.83 174.89 1afr h ASP 66 N 0.00 0.00 -0.07 -0.69 3.32 -0.87 -3.12 116.42 114.99 1afr h ASP 66 Ca 0.02 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.07 1afr h ASP 66 Cb 0.18 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.73 1afr h ASP 66 CO -0.00 0.08 0.00 0.49 -1.72 0.00 0.00 179.24 178.09 1afr n PHE 67 N -3.35 0.14 -4.40 4.55 3.72 -0.28 -5.04 117.46 112.81 1afr n PHE 67 Ca -0.01 -0.66 -0.21 0.00 -0.05 0.00 0.00 57.45 56.52 1afr n PHE 67 Cb 0.26 -0.09 -0.10 0.00 -0.94 0.00 0.00 39.48 38.60 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 -1.65 2.57 0.51 4.37 1.43 -1.18 -5.00 118.68 119.73 1afr s LEU 68 Ca 0.15 -1.03 -0.22 0.00 -1.03 0.00 0.00 54.13 52.01 1afr s LEU 68 Cb 0.12 -0.85 -0.07 0.00 0.03 0.00 0.00 46.19 45.42 1afr s LEU 68 CO 0.04 -0.09 1.13 -2.65 0.23 0.00 0.00 176.35 175.01 1afr n PRO 69 N -0.48 1.39 -3.03 1.29 -0.02 -1.26 -4.91 135.00 127.98 1afr n PRO 69 Ca -0.07 0.51 -0.43 0.00 -2.02 0.00 0.00 63.50 61.49 1afr n PRO 69 Cb 0.60 -2.28 -0.06 0.00 -0.02 0.00 0.00 33.50 31.75 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 -0.91 6.39 0.40 2.55 -1.08 -1.26 -4.93 116.67 117.83 1afr s ASP 70 Ca 0.69 -0.15 0.29 0.00 -0.52 0.00 0.00 52.55 52.86 1afr s ASP 70 Cb -0.47 -2.36 1.20 0.00 -1.46 0.00 0.00 42.92 39.84 1afr s ASP 70 CO 0.52 -0.83 1.85 1.55 0.52 0.00 0.00 175.17 178.78 1afr h PRO 71 N 8.87 0.00 -0.71 4.34 0.13 -1.95 -2.57 132.00 140.11 1afr h PRO 71 Ca -0.25 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 64.64 1afr h PRO 71 Cb 1.09 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.08 1afr h PRO 71 CO 0.92 0.00 0.27 0.00 -0.23 0.00 0.00 178.00 178.96 1afr n ALA 72 N -1.92 4.58 -2.43 -0.56 0.00 -1.26 -4.95 120.51 113.97 1afr n ALA 72 Ca 0.01 -2.48 -0.27 0.00 0.00 0.00 0.00 53.44 50.70 1afr n ALA 72 Cb 0.26 -1.19 -0.12 0.00 0.00 0.00 0.00 19.45 18.40 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 -1.26 3.45 0.42 0.00 0.15 -0.97 -5.01 113.70 110.48 1afr s SER 73 Ca 0.54 -0.86 0.29 0.00 0.70 0.00 0.00 55.95 56.62 1afr s SER 73 Cb 0.44 -0.26 1.18 0.00 -1.71 0.00 0.00 66.02 65.67 1afr s SER 73 CO 0.12 0.12 1.86 0.44 1.20 0.00 0.00 173.24 176.98 1afr h ASP 74 N 3.22 0.00 -0.48 5.45 3.32 -1.92 -2.75 116.42 123.26 1afr h ASP 74 Ca -0.47 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.58 1afr h ASP 74 Cb 1.21 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.76 1afr h ASP 74 CO 0.48 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.61 1afr n GLY 75 N 0.06 2.26 0.31 2.75 0.00 -1.26 -4.52 105.19 104.79 1afr n GLY 75 Ca 0.01 -0.66 -0.15 0.00 0.00 0.00 0.00 46.02 45.22 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 3.11 -0.73 -0.17 1.61 3.57 -1.63 -1.11 116.94 121.60 1afr h PHE 76 Ca 0.00 0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.55 1afr h PHE 76 Cb 1.31 0.28 -0.05 0.00 2.79 0.00 0.00 35.95 40.28 1afr h PHE 76 CO 0.67 -0.40 -0.12 -0.44 -2.23 0.00 0.00 178.31 175.78 1afr h ASP 77 N -0.61 -0.38 0.04 0.41 3.32 -1.86 0.40 116.42 117.75 1afr h ASP 77 Ca -0.02 0.08 -0.08 0.00 0.02 0.00 0.00 57.03 57.03 1afr h ASP 77 Cb 0.54 0.20 -0.01 0.00 0.22 0.00 0.00 39.33 40.28 1afr h ASP 77 CO -0.03 -0.15 -0.23 1.05 -1.72 0.00 0.00 179.24 178.15 1afr h GLU 78 N -0.12 0.33 -0.37 3.56 4.11 -1.87 0.39 114.58 120.61 1afr h GLU 78 Ca 0.10 -0.11 -0.05 0.00 0.07 0.00 0.00 59.36 59.37 1afr h GLU 78 Cb 0.27 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 1afr h GLU 78 CO -0.24 0.55 0.05 1.96 0.07 0.00 0.00 179.01 181.40 1afr h GLN 79 N 0.30 0.63 -0.50 1.06 4.20 -0.58 -0.63 115.11 119.60 1afr h GLN 79 Ca 0.05 -0.18 -0.09 0.00 0.06 0.00 0.00 58.65 58.49 1afr h GLN 79 Cb 0.58 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.27 1afr h GLN 79 CO 0.04 0.70 -0.04 0.28 -0.67 0.00 0.00 178.83 179.14 1afr h VAL 80 N 0.46 1.27 -0.36 -0.54 2.07 -0.71 -1.63 116.25 116.81 1afr h VAL 80 Ca 0.11 -1.14 0.01 0.00 0.82 0.00 0.00 66.70 66.50 1afr h VAL 80 Cb 0.38 1.01 -0.02 0.00 -1.52 0.00 0.00 31.29 31.14 1afr h VAL 80 CO 0.01 0.40 0.22 -0.09 0.02 0.00 0.00 177.57 178.12 1afr h ARG 81 N 0.76 0.43 -0.34 1.57 2.43 -0.73 -1.49 114.38 117.02 1afr h ARG 81 Ca 0.14 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.25 1afr h ARG 81 Cb 0.57 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.01 1afr h ARG 81 CO 0.03 0.28 0.10 0.93 -1.51 0.00 0.00 179.97 179.81 1afr h GLU 82 N 0.44 0.52 -1.01 0.20 5.08 -1.02 -0.81 114.58 117.99 1afr h GLU 82 Ca 0.14 -0.11 0.13 0.00 -1.00 0.00 0.00 59.36 58.52 1afr h GLU 82 Cb -0.00 -0.08 -0.09 0.00 0.50 0.00 0.00 28.75 29.08 1afr h GLU 82 CO -0.06 0.56 0.63 1.25 -1.00 0.00 0.00 179.01 180.38 1afr h LEU 83 N 0.39 0.91 -0.59 1.33 6.46 -1.01 -0.85 115.31 121.94 1afr h LEU 83 Ca 0.11 0.06 -0.14 0.00 -0.12 0.00 0.00 57.88 57.78 1afr h LEU 83 Cb 0.25 -0.12 -0.02 0.00 -0.73 0.00 0.00 40.66 40.04 1afr h LEU 83 CO -0.00 0.45 -0.68 0.03 -0.62 0.00 0.00 178.44 177.62 1afr h ARG 84 N 0.96 0.00 -0.08 1.25 3.08 -0.80 -2.22 114.38 116.57 1afr h ARG 84 Ca 0.51 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 60.50 1afr h ARG 84 Cb 0.57 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.62 1afr h ARG 84 CO -0.29 0.68 -0.21 0.93 -1.07 0.00 0.00 179.97 180.01 1afr h GLU 85 N 0.00 0.29 -0.97 0.04 5.08 -0.08 -3.15 114.58 115.79 1afr h GLU 85 Ca -0.01 -0.20 0.03 0.00 -1.00 0.00 0.00 59.36 58.19 1afr h GLU 85 Cb 1.23 0.03 -0.06 0.00 0.50 0.00 0.00 28.75 30.46 1afr h GLU 85 CO 0.09 0.81 0.64 0.00 -1.00 0.00 0.00 179.01 179.54 1afr h ARG 86 N -0.19 1.21 -0.15 2.33 3.08 -1.19 -2.30 114.38 117.16 1afr h ARG 86 Ca -0.00 -0.07 0.04 0.00 0.07 0.00 0.00 59.98 60.02 1afr h ARG 86 Cb 0.82 -0.27 -0.01 0.00 0.08 0.00 0.00 29.97 30.59 1afr h ARG 86 CO 0.05 0.80 0.14 0.00 -1.07 0.00 0.00 179.97 179.88 1afr h ALA 87 N 1.39 1.93 0.00 0.04 0.00 -1.38 -0.10 119.26 121.13 1afr h ALA 87 Ca 0.38 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 55.22 1afr h ALA 87 Cb -0.02 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1afr h ALA 87 CO -0.12 -0.22 -0.34 0.87 0.00 0.00 0.00 179.25 179.44 1afr h LYS 88 N 0.00 0.00 0.00 0.00 1.57 -1.37 -2.35 116.57 114.42 1afr h LYS 88 Ca 0.07 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 1afr h LYS 88 Cb 0.35 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.66 1afr h LYS 88 CO -0.00 0.34 0.00 0.39 -0.57 0.00 0.00 179.45 179.61 1afr n GLU 89 N -3.69 0.02 -3.59 3.15 1.02 -0.06 -4.71 120.64 112.78 1afr n GLU 89 Ca -0.01 0.04 -0.37 0.00 -0.02 0.00 0.00 57.16 56.80 1afr n GLU 89 Cb 0.45 -1.52 -0.10 0.00 -0.02 0.00 0.00 31.44 30.24 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 -3.01 5.32 0.70 -3.67 1.01 -0.89 -4.99 121.20 115.67 1afr s ILE 90 Ca 0.13 0.25 -0.16 0.00 0.00 0.00 0.00 60.65 60.88 1afr s ILE 90 Cb 0.18 -3.55 0.02 0.00 0.01 0.00 0.00 42.46 39.13 1afr s ILE 90 CO 0.51 0.29 1.22 -2.16 0.00 0.00 0.00 174.94 174.80 1afr s PRO 91 N 1.38 2.28 0.56 2.79 0.04 -1.26 -4.88 135.00 135.92 1afr s PRO 91 Ca 0.09 1.81 0.25 0.00 0.04 0.00 0.00 61.00 63.19 1afr s PRO 91 Cb -0.15 -1.84 1.59 0.00 0.04 0.00 0.00 34.50 34.14 1afr s PRO 91 CO 0.07 -1.74 2.17 -0.44 0.04 0.00 0.00 177.00 177.11 1afr h ASP 92 N -0.05 0.00 0.34 6.66 3.32 -1.97 -1.97 116.42 122.75 1afr h ASP 92 Ca -0.48 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.56 1afr h ASP 92 Cb 1.30 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.84 1afr h ASP 92 CO 0.51 0.00 -0.26 0.44 -1.72 0.00 0.00 179.24 178.21 1afr h ASP 93 N 0.00 -0.68 -0.54 6.45 3.32 -1.96 -1.21 116.42 121.81 1afr h ASP 93 Ca 0.04 0.05 0.03 0.00 0.02 0.00 0.00 57.03 57.16 1afr h ASP 93 Cb 0.17 0.22 -0.04 0.00 0.22 0.00 0.00 39.33 39.90 1afr h ASP 93 CO -0.00 -0.40 0.32 0.22 -1.72 0.00 0.00 179.24 177.66 1afr h TYR 94 N -0.60 0.60 -0.34 4.55 5.03 -1.74 -2.62 116.97 121.84 1afr h TYR 94 Ca -0.03 0.02 -0.03 0.00 2.58 0.00 0.00 58.73 61.27 1afr h TYR 94 Cb 0.52 -0.19 -0.02 0.00 1.55 0.00 0.00 36.73 38.59 1afr h TYR 94 CO -0.13 0.33 0.09 0.74 -1.32 0.00 0.00 178.16 177.87 1afr h PHE 95 N 0.63 0.50 -0.71 -3.82 0.04 -1.22 -0.09 116.94 112.27 1afr h PHE 95 Ca 0.22 -0.02 -0.07 0.00 2.80 0.00 0.00 57.97 60.90 1afr h PHE 95 Cb 0.04 -0.15 -0.03 0.00 2.20 0.00 0.00 35.95 38.01 1afr h PHE 95 CO -0.07 0.43 0.18 0.28 -0.60 0.00 0.00 178.31 178.53 1afr h VAL 96 N 0.49 1.26 -0.07 -0.55 2.07 -0.84 -0.31 116.25 118.31 1afr h VAL 96 Ca 0.12 -0.97 -0.03 0.00 0.82 0.00 0.00 66.70 66.64 1afr h VAL 96 Cb 0.18 0.53 -0.00 0.00 -1.52 0.00 0.00 31.29 30.48 1afr h VAL 96 CO -0.01 0.37 -0.07 0.58 0.02 0.00 0.00 177.57 178.47 1afr h VAL 97 N 1.07 1.37 -0.79 2.57 2.07 -1.31 -1.81 116.25 119.42 1afr h VAL 97 Ca 0.22 -1.23 0.09 0.00 0.82 0.00 0.00 66.70 66.61 1afr h VAL 97 Cb 0.37 2.04 -0.07 0.00 -1.52 0.00 0.00 31.29 32.11 1afr h VAL 97 CO 0.00 0.34 0.44 0.25 0.02 0.00 0.00 177.57 178.62 1afr h LEU 98 N -0.27 0.62 -0.75 2.57 5.85 -0.92 0.57 115.31 122.99 1afr h LEU 98 Ca 0.01 0.05 -0.09 0.00 0.84 0.00 0.00 57.88 58.69 1afr h LEU 98 Cb 0.58 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.52 1afr h LEU 98 CO 0.02 0.36 -0.01 0.58 -0.34 0.00 0.00 178.44 179.05 1afr h VAL 99 N 0.75 1.26 -0.69 1.05 2.07 -0.98 -0.44 116.25 119.26 1afr h VAL 99 Ca 0.38 -1.11 -0.06 0.00 0.82 0.00 0.00 66.70 66.73 1afr h VAL 99 Cb 0.36 0.84 -0.03 0.00 -1.52 0.00 0.00 31.29 30.94 1afr h VAL 99 CO -0.25 0.40 0.19 1.23 0.02 0.00 0.00 177.57 179.15 1afr h GLY 100 N 0.99 1.18 0.94 2.17 0.00 -0.26 -0.30 103.07 107.80 1afr h GLY 100 Ca 0.16 -0.73 -0.03 0.00 0.00 0.00 0.00 47.33 46.73 1afr h GLY 100 CO 0.03 0.68 0.12 -0.55 0.00 0.00 0.00 176.54 176.82 1afr h ASP 101 N 1.03 0.60 -0.34 0.19 3.32 -0.51 -2.36 116.42 118.37 1afr h ASP 101 Ca 0.22 -0.21 -0.02 0.00 0.02 0.00 0.00 57.03 57.04 1afr h ASP 101 Cb 0.35 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.72 1afr h ASP 101 CO -0.00 0.66 0.14 -0.03 -1.72 0.00 0.00 179.24 178.28 1afr h MET 102 N 0.52 0.50 -0.63 3.56 4.05 -0.81 -2.41 114.93 119.71 1afr h MET 102 Ca 0.13 -0.09 0.05 0.00 -0.28 0.00 0.00 59.70 59.52 1afr h MET 102 Cb 0.27 -0.08 -0.05 0.00 -0.80 0.00 0.00 31.60 30.94 1afr h MET 102 CO -0.00 0.50 0.34 0.82 0.23 0.00 0.00 176.91 178.80 1afr h ILE 103 N 0.40 0.97 -0.60 1.77 2.04 -0.98 0.02 117.51 121.13 1afr h ILE 103 Ca 0.11 -0.22 0.02 0.00 1.00 0.00 0.00 64.86 65.77 1afr h ILE 103 Cb 0.18 0.27 -0.03 0.00 -0.74 0.00 0.00 36.82 36.50 1afr h ILE 103 CO -0.01 0.12 0.38 0.74 0.00 0.00 0.00 178.15 179.38 1afr h THR 104 N 0.65 1.12 -0.62 -0.27 2.02 -1.26 -2.47 112.91 112.08 1afr h THR 104 Ca 0.28 -0.27 -0.03 0.00 0.77 0.00 0.00 66.41 67.16 1afr h THR 104 Cb 0.16 0.27 -0.03 0.00 -1.74 0.00 0.00 68.15 66.82 1afr h THR 104 CO -0.17 0.14 0.28 -0.33 0.37 0.00 0.00 175.52 175.81 1afr h GLU 105 N 0.77 0.90 0.00 6.66 4.39 -0.83 -2.74 114.58 123.73 1afr h GLU 105 Ca 0.23 -0.15 0.00 0.00 0.34 0.00 0.00 59.36 59.78 1afr h GLU 105 Cb -0.04 -0.16 0.00 0.00 -0.10 0.00 0.00 28.75 28.45 1afr h GLU 105 CO -0.07 0.74 0.00 0.93 -1.16 0.00 0.00 179.01 179.45 1afr h GLU 106 N 0.85 0.00 -0.79 2.33 4.39 -0.56 -2.65 114.58 118.16 1afr h GLU 106 Ca 0.21 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.91 1afr h GLU 106 Cb 0.16 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.81 1afr h GLU 106 CO -0.02 0.00 0.00 0.00 -1.16 0.00 0.00 179.01 177.83 1afr n ALA 107 N -2.04 2.62 -0.34 3.43 0.00 -1.03 -4.58 120.51 118.57 1afr n ALA 107 Ca -0.02 -0.20 0.16 0.00 0.00 0.00 0.00 53.44 53.38 1afr n ALA 107 Cb 0.14 -1.01 0.31 0.00 0.00 0.00 0.00 19.45 18.89 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 0.46 -0.40 -0.92 0.00 5.85 -1.66 -1.80 115.31 116.84 1afr h LEU 108 Ca 0.00 0.28 0.23 0.00 0.84 0.00 0.00 57.88 59.22 1afr h LEU 108 Cb 0.56 0.46 -0.13 0.00 0.37 0.00 0.00 40.66 41.93 1afr h LEU 108 CO 0.05 -0.36 0.43 -0.65 -0.34 0.00 0.00 178.44 177.57 1afr h PRO 109 N 0.01 0.41 -0.90 5.25 0.11 -1.91 0.11 132.00 135.10 1afr h PRO 109 Ca 0.62 -0.02 0.03 0.00 0.11 0.00 0.00 66.00 66.73 1afr h PRO 109 Cb 1.31 -0.09 -0.05 0.00 0.11 0.00 0.00 31.00 32.27 1afr h PRO 109 CO -0.90 0.27 0.59 1.15 -0.21 0.00 0.00 178.00 178.90 1afr h THR 110 N 0.42 1.16 -0.19 -1.15 2.02 -1.70 -1.47 112.91 112.01 1afr h THR 110 Ca 0.58 -0.39 -0.14 0.00 0.77 0.00 0.00 66.41 67.23 1afr h THR 110 Cb 1.12 -0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 67.44 1afr h THR 110 CO -0.52 0.21 -0.48 1.88 0.37 0.00 0.00 175.52 176.97 1afr h TYR 111 N 1.13 0.62 -0.10 3.16 0.05 -0.89 0.35 116.97 121.29 1afr h TYR 111 Ca 0.35 -0.20 -0.16 0.00 0.05 0.00 0.00 58.73 58.77 1afr h TYR 111 Cb 0.00 -0.13 -0.01 0.00 1.01 0.00 0.00 36.73 37.61 1afr h TYR 111 CO -0.00 0.89 -0.63 0.37 -1.05 0.00 0.00 178.16 177.74 1afr h GLN 112 N 0.41 0.38 -0.69 4.88 4.15 -0.99 -2.84 115.11 120.41 1afr h GLN 112 Ca 0.02 -0.27 -0.07 0.00 0.77 0.00 0.00 58.65 59.10 1afr h GLN 112 Cb 0.99 0.04 -0.03 0.00 0.21 0.00 0.00 27.48 28.70 1afr h GLN 112 CO 0.09 0.89 0.17 1.15 -1.93 0.00 0.00 178.83 179.20 1afr h THR 113 N 0.28 1.26 -0.58 2.39 2.02 -0.89 -1.30 112.91 116.09 1afr h THR 113 Ca -0.01 -0.96 -0.02 0.00 0.77 0.00 0.00 66.41 66.19 1afr h THR 113 Cb 1.17 0.56 -0.03 0.00 -1.74 0.00 0.00 68.15 68.11 1afr h THR 113 CO 0.11 0.37 0.29 0.24 0.37 0.00 0.00 175.52 176.90 1afr h MET 114 N 1.04 0.81 -0.04 6.66 2.86 -0.74 -1.73 114.93 123.78 1afr h MET 114 Ca 0.22 -0.09 -0.17 0.00 -2.06 0.00 0.00 59.70 57.59 1afr h MET 114 Cb 0.37 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 31.86 1afr h MET 114 CO 0.00 0.62 -0.73 -0.07 1.06 0.00 0.00 176.91 177.79 1afr h LEU 115 N 0.82 0.31 0.00 1.22 3.38 -1.24 -2.89 115.31 116.90 1afr h LEU 115 Ca 0.20 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1afr h LEU 115 Cb 0.06 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.72 1afr h LEU 115 CO -0.03 0.93 0.00 0.59 0.09 0.00 0.00 178.44 180.03 1afr n ASN 116 N -3.79 0.00 0.03 -0.43 3.02 -0.52 -2.87 115.26 110.70 1afr n ASN 116 Ca -0.03 -1.27 0.07 0.00 -0.03 0.00 0.00 54.58 53.32 1afr n ASN 116 Cb 0.71 0.00 -0.09 0.00 -0.61 0.00 0.00 39.78 39.79 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 -0.86 0.57 -1.90 3.41 -2.24 -0.85 -4.63 114.28 107.78 1afr n THR 117 Ca 0.17 -0.59 -0.42 0.00 -2.27 0.00 0.00 64.05 60.94 1afr n THR 117 Cb 0.08 -0.30 -0.03 0.00 -2.10 0.00 0.00 70.33 67.98 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 -5.15 4.36 0.20 3.22 1.43 -1.14 -4.54 118.68 117.07 1afr s LEU 118 Ca -0.04 2.40 -0.15 0.00 -1.03 0.00 0.00 54.13 55.30 1afr s LEU 118 Cb 0.11 -3.54 0.21 0.00 0.03 0.00 0.00 46.19 43.00 1afr s LEU 118 CO 0.84 -0.96 1.62 0.44 0.23 0.00 0.00 176.35 178.52 1afr h ASP 119 N 9.69 -0.69 1.18 2.29 3.32 -1.45 -0.13 116.42 130.64 1afr h ASP 119 Ca -0.43 0.19 -0.17 0.00 0.02 0.00 0.00 57.03 56.65 1afr h ASP 119 Cb 1.20 0.42 -0.02 0.00 0.22 0.00 0.00 39.33 41.14 1afr h ASP 119 CO 0.95 -0.23 -0.83 1.23 -1.72 0.00 0.00 179.24 178.64 1afr h GLY 120 N -0.04 0.00 -0.46 2.75 0.00 -1.87 -3.39 103.07 100.06 1afr h GLY 120 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.61 1afr h GLY 120 CO -0.64 0.00 -0.44 3.33 0.00 0.00 0.00 176.54 178.79 1afr n VAL 121 N -3.27 0.00 -1.77 4.60 0.24 -1.13 -4.76 118.33 112.24 1afr n VAL 121 Ca -0.00 -0.28 -0.38 0.00 -2.04 0.00 0.00 64.34 61.64 1afr n VAL 121 Cb 0.85 1.12 0.05 0.00 -1.47 0.00 0.00 33.84 34.39 1afr n VAL 121 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1afr s ARG 122 N -2.00 2.99 -0.46 7.34 1.70 -0.08 -4.16 118.95 124.28 1afr s ARG 122 Ca 0.10 2.20 -0.26 0.00 -0.47 0.00 0.00 55.73 57.31 1afr s ARG 122 Cb 0.12 -2.16 0.03 0.00 -0.57 0.00 0.00 34.95 32.37 1afr s ARG 122 CO 0.45 -1.30 0.94 0.34 -1.08 0.00 0.00 175.30 174.66 1afr s ASP 123 N -1.05 6.50 0.47 -2.89 -1.08 -1.26 -4.87 116.67 112.48 1afr s ASP 123 Ca 0.74 0.12 0.27 0.00 -0.52 0.00 0.00 52.55 53.16 1afr s ASP 123 Cb -0.40 -2.46 0.91 0.00 -1.46 0.00 0.00 42.92 39.52 1afr s ASP 123 CO 0.46 -1.07 1.82 -0.33 0.52 0.00 0.00 175.17 176.57 1afr h GLU 124 N 9.10 0.00 0.00 4.34 4.39 -1.96 -3.36 114.58 127.09 1afr h GLU 124 Ca -0.24 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.36 1afr h GLU 124 Cb 1.07 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.71 1afr h GLU 124 CO 1.03 0.12 -1.36 0.25 -1.16 0.00 0.00 179.01 177.90 1afr n THR 125 N -3.21 0.36 0.00 1.13 -2.24 -1.26 -5.01 114.28 104.05 1afr n THR 125 Ca 0.01 -0.21 0.00 0.00 -2.27 0.00 0.00 64.05 61.58 1afr n THR 125 Cb 0.43 -0.84 0.00 0.00 -2.10 0.00 0.00 70.33 67.81 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 2.75 0.80 1.89 3.38 0.00 -1.26 -4.87 105.19 107.88 1afr n GLY 126 Ca -0.09 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.39 3.02 -1.96 4.61 0.00 -1.26 -5.11 120.51 118.41 1afr n ALA 127 Ca 0.00 -0.82 -0.41 0.00 0.00 0.00 0.00 53.44 52.21 1afr n ALA 127 Cb 0.00 -0.59 -0.03 0.00 0.00 0.00 0.00 19.45 18.83 1afr n ALA 127 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1afr s SER 128 N -1.02 6.77 0.00 0.00 0.15 -1.26 -4.91 113.70 113.43 1afr s SER 128 Ca 0.05 2.52 0.06 0.00 0.70 0.00 0.00 55.95 59.28 1afr s SER 128 Cb 0.24 -2.61 0.34 0.00 -1.71 0.00 0.00 66.02 62.28 1afr s SER 128 CO -0.07 -0.63 0.88 -2.65 1.20 0.00 0.00 173.24 171.98 1afr n PRO 129 N 2.68 0.61 -2.66 5.44 -0.02 -1.26 -4.29 135.00 135.49 1afr n PRO 129 Ca 0.07 0.00 -0.34 0.00 -2.02 0.00 0.00 63.50 61.22 1afr n PRO 129 Cb 0.41 -1.15 -0.05 0.00 -0.02 0.00 0.00 33.50 32.70 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 4.07 0.37 3.45 -4.23 -1.26 -4.90 115.64 111.15 1afr s THR 130 Ca 0.09 1.28 0.05 0.00 -1.18 0.00 0.00 61.69 61.93 1afr s THR 130 Cb 0.04 -3.52 0.28 0.00 1.34 0.00 0.00 72.50 70.64 1afr s THR 130 CO 0.07 -0.29 2.00 0.28 -0.54 0.00 0.00 174.62 176.14 1afr h SER 131 N 1.69 0.64 -0.25 3.99 0.02 -1.89 0.62 113.55 118.38 1afr h SER 131 Ca -0.49 -0.01 -0.04 0.00 -0.84 0.00 0.00 61.79 60.41 1afr h SER 131 Cb 1.20 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 63.59 1afr h SER 131 CO 0.60 0.44 -0.02 -0.50 -1.14 0.00 0.00 176.83 176.21 1afr h TRP 132 N 0.74 0.50 -0.51 3.45 4.06 -1.90 -1.38 115.95 120.90 1afr h TRP 132 Ca 0.25 -0.09 -0.05 0.00 2.06 0.00 0.00 58.89 61.06 1afr h TRP 132 Cb 0.09 -0.13 -0.02 0.00 -1.00 0.00 0.00 29.16 28.11 1afr h TRP 132 CO -0.00 0.64 0.11 0.00 -3.56 0.00 0.00 178.44 175.63 1afr h ALA 133 N 0.79 0.68 -0.75 1.49 0.00 -1.55 -1.62 119.26 118.30 1afr h ALA 133 Ca 0.07 -0.22 0.01 0.00 0.00 0.00 0.00 54.91 54.77 1afr h ALA 133 Cb 0.45 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 1afr h ALA 133 CO 0.02 0.39 0.50 0.82 0.00 0.00 0.00 179.25 180.97 1afr h ILE 134 N 0.72 1.18 -0.01 0.00 2.04 -0.78 -0.77 117.51 119.88 1afr h ILE 134 Ca 0.16 -0.34 -0.00 0.00 1.00 0.00 0.00 64.86 65.67 1afr h ILE 134 Cb 0.36 0.09 -0.00 0.00 -0.74 0.00 0.00 36.82 36.53 1afr h ILE 134 CO 0.01 0.18 -0.00 -0.25 0.00 0.00 0.00 178.15 178.08 1afr h TRP 135 N 1.00 0.02 -0.26 1.37 2.91 -0.84 -1.49 115.95 118.65 1afr h TRP 135 Ca 0.28 -0.00 0.06 0.00 1.13 0.00 0.00 58.89 60.36 1afr h TRP 135 Cb -0.08 -0.00 -0.07 0.00 -0.51 0.00 0.00 29.16 28.49 1afr h TRP 135 CO -0.00 0.39 -0.21 1.15 -1.03 0.00 0.00 178.44 178.75 1afr h THR 136 N -0.36 0.45 0.16 2.65 2.02 -0.73 0.51 112.91 117.61 1afr h THR 136 Ca 0.00 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.17 1afr h THR 136 Cb 0.39 0.45 0.00 0.00 -1.74 0.00 0.00 68.15 67.25 1afr h THR 136 CO 0.00 0.00 -0.08 0.03 0.37 0.00 0.00 175.52 175.85 1afr h ARG 137 N -0.20 -0.20 -0.53 6.66 3.08 -1.19 -1.89 114.38 120.10 1afr h ARG 137 Ca 0.14 0.01 -0.05 0.00 0.07 0.00 0.00 59.98 60.16 1afr h ARG 137 Cb 0.42 0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.49 1afr h ARG 137 CO -0.38 -0.03 0.12 0.00 -1.07 0.00 0.00 179.97 178.62 1afr h ALA 138 N 0.48 1.21 -0.20 0.04 0.00 -0.91 0.08 119.26 119.96 1afr h ALA 138 Ca -0.02 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.65 1afr h ALA 138 Cb 0.27 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1afr h ALA 138 CO 0.04 0.54 0.00 2.35 0.00 0.00 0.00 179.25 182.18 1afr h TRP 139 N 0.79 0.39 -0.51 0.00 7.01 0.03 -1.80 115.95 121.85 1afr h TRP 139 Ca 0.17 -0.07 0.03 0.00 2.11 0.00 0.00 58.89 61.14 1afr h TRP 139 Cb 0.30 -0.10 -0.04 0.00 -2.10 0.00 0.00 29.16 27.22 1afr h TRP 139 CO 0.02 0.55 0.30 1.15 -2.79 0.00 0.00 178.44 177.66 1afr h THR 140 N 0.12 1.03 -0.58 2.65 2.02 -0.96 -1.39 112.91 115.79 1afr h THR 140 Ca 0.06 -0.20 0.09 0.00 0.77 0.00 0.00 66.41 67.13 1afr h THR 140 Cb 0.39 0.39 -0.07 0.00 -1.74 0.00 0.00 68.15 67.12 1afr h THR 140 CO 0.01 0.11 0.20 0.00 0.37 0.00 0.00 175.52 176.20 1afr h ALA 141 N 1.24 0.73 -0.70 6.16 0.00 -0.75 -0.91 119.26 125.04 1afr h ALA 141 Ca 0.21 0.09 -0.07 0.00 0.00 0.00 0.00 54.91 55.14 1afr h ALA 141 Cb 0.05 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 1afr h ALA 141 CO -0.11 -0.22 0.17 0.93 0.00 0.00 0.00 179.25 180.02 1afr h GLU 142 N 0.37 1.12 0.00 0.00 5.08 -0.84 -2.93 114.58 117.37 1afr h GLU 142 Ca 0.29 -0.27 -0.06 0.00 -1.00 0.00 0.00 59.36 58.32 1afr h GLU 142 Cb 0.37 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 1afr h GLU 142 CO -0.31 0.99 -0.28 0.93 -1.00 0.00 0.00 179.01 179.33 1afr h GLU 143 N 1.05 0.00 -0.33 2.33 4.39 -0.14 -2.98 114.58 118.89 1afr h GLU 143 Ca 0.22 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.92 1afr h GLU 143 Cb 0.38 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.01 1afr h GLU 143 CO 0.00 0.28 0.20 -0.97 -1.16 0.00 0.00 179.01 177.37 1afr h ASN 144 N 0.00 0.39 0.82 1.42 -1.24 -1.01 -2.02 115.58 113.94 1afr h ASN 144 Ca -0.00 -0.02 -0.04 0.00 0.71 0.00 0.00 56.30 56.95 1afr h ASN 144 Cb 0.56 -0.10 -0.01 0.00 0.73 0.00 0.00 38.32 39.51 1afr h ASN 144 CO 0.04 0.30 -0.19 0.03 -1.29 0.00 0.00 177.43 176.32 1afr h ARG 145 N 0.46 0.00 -0.38 6.67 3.08 -1.64 -2.87 114.38 119.71 1afr h ARG 145 Ca 0.12 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 60.07 1afr h ARG 145 Cb -0.02 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.02 1afr h ARG 145 CO -0.02 0.19 -0.18 0.45 -1.07 0.00 0.00 179.97 179.33 1afr h HIS 146 N 0.00 0.91 -0.09 3.04 3.86 -1.51 -2.38 115.15 118.98 1afr h HIS 146 Ca -0.00 -0.22 -0.13 0.00 -1.16 0.00 0.00 60.37 58.85 1afr h HIS 146 Cb 0.65 -0.21 0.01 0.00 1.06 0.00 0.00 27.41 28.92 1afr h HIS 146 CO 0.00 0.97 -0.45 0.78 0.86 0.00 0.00 177.93 180.09 1afr h GLY 147 N 0.58 0.51 0.62 2.45 0.00 -1.61 -3.02 103.07 102.60 1afr h GLY 147 Ca 0.08 -0.72 0.04 0.00 0.00 0.00 0.00 47.33 46.74 1afr h GLY 147 CO 0.05 0.64 0.04 -0.55 0.00 0.00 0.00 176.54 176.72 1afr h ASP 148 N 0.02 -0.03 0.21 0.19 5.19 -1.53 0.20 116.42 120.66 1afr h ASP 148 Ca -0.03 0.05 -0.01 0.00 -0.62 0.00 0.00 57.03 56.42 1afr h ASP 148 Cb 1.10 0.08 0.00 0.00 0.18 0.00 0.00 39.33 40.69 1afr h ASP 148 CO 0.09 0.02 -0.10 0.25 -3.12 0.00 0.00 179.24 176.38 1afr h LEU 149 N 0.14 -0.24 -1.19 1.55 5.85 -1.54 -0.85 115.31 119.04 1afr h LEU 149 Ca 0.14 -0.03 -0.06 0.00 0.84 0.00 0.00 57.88 58.77 1afr h LEU 149 Cb 0.16 0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.24 1afr h LEU 149 CO -0.20 -0.13 -0.07 -0.07 -0.34 0.00 0.00 178.44 177.63 1afr h LEU 150 N -0.33 0.45 0.45 2.25 3.38 -1.40 -1.80 115.31 118.32 1afr h LEU 150 Ca -0.03 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 57.82 1afr h LEU 150 Cb 0.25 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.89 1afr h LEU 150 CO 0.05 0.57 -0.21 -1.13 0.09 0.00 0.00 178.44 177.81 1afr h ASN 151 N 0.45 -0.51 -0.28 -0.43 -0.73 -0.44 -0.71 115.58 112.94 1afr h ASN 151 Ca 0.09 -0.08 0.01 0.00 1.87 0.00 0.00 56.30 58.19 1afr h ASN 151 Cb 0.40 0.13 -0.01 0.00 0.27 0.00 0.00 38.32 39.11 1afr h ASN 151 CO 0.02 -0.20 0.19 0.11 -0.37 0.00 0.00 177.43 177.18 1afr h LYS 152 N -0.83 0.32 0.25 6.67 6.56 -1.09 -2.04 116.57 126.41 1afr h LYS 152 Ca -0.06 -0.02 -0.01 0.00 -1.06 0.00 0.00 60.65 59.50 1afr h LYS 152 Cb 0.56 -0.07 0.00 0.00 -0.57 0.00 0.00 32.23 32.15 1afr h LYS 152 CO 0.10 0.21 -0.12 -0.92 -2.06 0.00 0.00 179.45 176.67 1afr h TYR 153 N 0.33 -0.31 -0.34 -1.35 3.20 -1.10 -2.19 116.97 115.21 1afr h TYR 153 Ca 0.11 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 61.98 1afr h TYR 153 Cb 0.02 0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.38 1afr h TYR 153 CO -0.00 0.02 0.22 -0.07 -1.64 0.00 0.00 178.16 176.70 1afr h LEU 154 N -0.67 0.36 0.13 2.82 3.38 -0.91 -1.77 115.31 118.64 1afr h LEU 154 Ca -0.03 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 1afr h LEU 154 Cb 0.47 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.13 1afr h LEU 154 CO 0.06 0.26 -0.06 0.22 0.09 0.00 0.00 178.44 179.00 1afr h TYR 155 N 0.42 -0.16 0.00 1.13 3.20 -1.33 -3.19 116.97 117.05 1afr h TYR 155 Ca 0.13 -0.00 -0.07 0.00 3.14 0.00 0.00 58.73 61.93 1afr h TYR 155 Cb 0.00 0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.31 1afr h TYR 155 CO -0.00 0.14 -0.32 -0.07 -1.64 0.00 0.00 178.16 176.27 1afr h LEU 156 N -0.46 0.00 -1.19 2.82 3.38 -1.05 -3.21 115.31 115.59 1afr h LEU 156 Ca -0.02 0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.02 1afr h LEU 156 Cb 0.37 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.07 1afr h LEU 156 CO 0.03 0.32 0.57 0.77 0.09 0.00 0.00 178.44 180.22 1afr h SER 157 N 0.00 0.86 0.00 -0.43 4.64 -1.31 -3.44 113.55 113.87 1afr h SER 157 Ca -0.00 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1afr h SER 157 Cb 0.61 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 62.52 1afr h SER 157 CO 0.04 0.55 0.00 0.61 -0.87 0.00 0.00 176.83 177.16 1afr n GLY 158 N -1.41 0.61 0.02 -0.77 0.00 -1.22 -4.77 105.19 97.66 1afr n GLY 158 Ca 0.13 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.26 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 -2.62 0.15 -4.44 1.61 5.12 -1.26 -4.97 116.66 110.24 1afr n ARG 159 Ca 0.00 0.00 -0.21 0.00 -1.93 0.00 0.00 57.85 55.71 1afr n ARG 159 Cb 0.01 -1.55 -0.11 0.00 -1.16 0.00 0.00 32.46 29.66 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 -3.10 1.37 -0.66 1.55 -7.23 -1.26 -4.82 120.40 106.25 1afr s VAL 160 Ca 0.07 -2.04 -0.17 0.00 -1.81 0.00 0.00 61.98 58.03 1afr s VAL 160 Cb 0.16 -2.66 0.14 0.00 0.56 0.00 0.00 36.38 34.57 1afr s VAL 160 CO 0.78 -0.12 0.71 -0.62 -0.31 0.00 0.00 175.10 175.53 1afr s ASP 161 N -3.47 6.35 0.44 4.85 -1.08 0.66 -4.91 116.67 119.50 1afr s ASP 161 Ca 0.33 -1.85 0.13 0.00 -0.52 0.00 0.00 52.55 50.65 1afr s ASP 161 Cb 0.07 -2.27 0.99 0.00 -1.46 0.00 0.00 42.92 40.25 1afr s ASP 161 CO 0.14 -0.93 2.00 0.24 0.52 0.00 0.00 175.17 177.14 1afr h MET 162 N 8.79 0.08 -0.61 4.34 2.86 -1.94 -2.17 114.93 126.28 1afr h MET 162 Ca -0.17 -0.01 -0.10 0.00 -2.06 0.00 0.00 59.70 57.36 1afr h MET 162 Cb 1.07 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.70 1afr h MET 162 CO 1.01 0.21 -0.00 -0.09 1.06 0.00 0.00 176.91 179.10 1afr h ARG 163 N 0.08 1.07 -0.15 1.72 2.43 -1.97 0.17 114.38 117.73 1afr h ARG 163 Ca 0.02 -0.34 -0.20 0.00 -0.81 0.00 0.00 59.98 58.65 1afr h ARG 163 Cb 0.26 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.72 1afr h ARG 163 CO 0.02 1.04 -0.70 1.96 -1.51 0.00 0.00 179.97 180.78 1afr h GLN 164 N 0.97 0.64 -0.36 0.20 1.08 -1.79 -1.69 115.11 114.17 1afr h GLN 164 Ca 0.17 -0.49 -0.05 0.00 -1.45 0.00 0.00 58.65 56.84 1afr h GLN 164 Cb 0.56 0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 28.07 1afr h GLN 164 CO 0.03 1.11 0.04 0.82 -0.95 0.00 0.00 178.83 179.88 1afr h ILE 165 N 0.46 1.25 -0.08 2.54 2.04 -1.23 -0.94 117.51 121.54 1afr h ILE 165 Ca -0.03 -0.89 -0.04 0.00 1.00 0.00 0.00 64.86 64.90 1afr h ILE 165 Cb 1.29 1.12 -0.01 0.00 -0.74 0.00 0.00 36.82 38.48 1afr h ILE 165 CO 0.14 0.30 -0.15 -0.33 0.00 0.00 0.00 178.15 178.11 1afr h GLU 166 N 0.44 0.13 -0.26 2.37 5.08 -0.59 -1.10 114.58 120.65 1afr h GLU 166 Ca 0.11 -0.03 -0.13 0.00 -1.00 0.00 0.00 59.36 58.32 1afr h GLU 166 Cb 0.39 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.62 1afr h GLU 166 CO 0.01 0.28 -0.33 -0.22 -1.00 0.00 0.00 179.01 177.75 1afr h LYS 167 N 0.12 0.68 -0.97 2.33 3.64 -0.95 -2.24 116.57 119.19 1afr h LYS 167 Ca 0.02 -0.39 -0.00 0.00 -1.27 0.00 0.00 60.65 59.02 1afr h LYS 167 Cb 0.34 0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 32.14 1afr h LYS 167 CO 0.02 1.00 0.60 1.15 -2.27 0.00 0.00 179.45 179.96 1afr h THR 168 N 0.41 1.26 -0.49 1.00 2.02 -0.48 -1.93 112.91 114.69 1afr h THR 168 Ca 0.03 -0.54 -0.08 0.00 0.77 0.00 0.00 66.41 66.60 1afr h THR 168 Cb 0.91 -0.13 -0.02 0.00 -1.74 0.00 0.00 68.15 67.17 1afr h THR 168 CO 0.08 0.27 0.01 0.40 0.37 0.00 0.00 175.52 176.64 1afr h ILE 169 N 1.33 1.26 -0.74 3.11 2.04 -1.09 -0.50 117.51 122.92 1afr h ILE 169 Ca 0.35 -1.06 -0.04 0.00 1.00 0.00 0.00 64.86 65.10 1afr h ILE 169 Cb -0.09 0.97 -0.03 0.00 -0.74 0.00 0.00 36.82 36.93 1afr h ILE 169 CO -0.07 0.37 0.29 -0.61 0.00 0.00 0.00 178.15 178.13 1afr h GLN 170 N 0.73 1.10 0.49 2.37 4.15 -1.02 -1.51 115.11 121.42 1afr h GLN 170 Ca 0.14 -0.20 -0.02 0.00 0.77 0.00 0.00 58.65 59.34 1afr h GLN 170 Cb 0.51 -0.18 0.00 0.00 0.21 0.00 0.00 27.48 28.02 1afr h GLN 170 CO 0.02 0.90 -0.23 1.88 -1.93 0.00 0.00 178.83 179.47 1afr h TYR 171 N 1.08 -0.60 -0.50 3.99 0.05 -1.16 -2.35 116.97 117.47 1afr h TYR 171 Ca 0.25 -0.01 0.10 0.00 0.05 0.00 0.00 58.73 59.11 1afr h TYR 171 Cb 0.21 0.20 -0.09 0.00 1.01 0.00 0.00 36.73 38.06 1afr h TYR 171 CO 0.02 -0.29 -0.08 1.25 -1.05 0.00 0.00 178.16 178.00 1afr h LEU 172 N -0.86 -0.39 -0.57 3.88 5.85 -0.82 0.13 115.31 122.54 1afr h LEU 172 Ca -0.07 0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.78 1afr h LEU 172 Cb 0.58 0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.87 1afr h LEU 172 CO 0.11 -0.14 0.30 0.40 -0.34 0.00 0.00 178.44 178.77 1afr h ILE 173 N 0.03 1.19 0.00 4.05 2.04 -1.33 -0.97 117.51 122.52 1afr h ILE 173 Ca 0.25 -0.51 -0.02 0.00 1.00 0.00 0.00 64.86 65.57 1afr h ILE 173 Cb 0.38 0.49 -0.00 0.00 -0.74 0.00 0.00 36.82 36.95 1afr h ILE 173 CO -0.49 0.21 -0.10 1.23 0.00 0.00 0.00 178.15 179.00 1afr h GLY 174 N 0.77 0.00 1.52 5.37 0.00 -0.65 -2.39 103.07 107.70 1afr h GLY 174 Ca 0.20 0.00 -0.23 0.00 0.00 0.00 0.00 47.33 47.30 1afr h GLY 174 CO -0.03 0.00 -1.25 1.76 0.00 0.00 0.00 176.54 177.02 1afr h SER 175 N 0.00 0.00 -0.17 0.19 0.02 -0.11 -3.50 113.55 109.98 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 0.36 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.90 1afr h SER 175 CO 0.01 0.91 0.00 0.61 -1.14 0.00 0.00 176.83 177.22 1afr n GLY 176 N 1.42 0.46 3.49 -3.77 0.00 -0.43 -4.93 105.19 101.42 1afr n GLY 176 Ca -0.07 -0.90 -0.16 0.00 0.00 0.00 0.00 46.02 44.89 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 1.10 -0.37 1.61 0.00 -1.26 -4.89 119.30 115.49 1afr s MET 177 Ca 0.00 0.02 0.02 0.00 0.00 0.00 0.00 55.69 55.74 1afr s MET 177 Cb 0.00 0.51 0.11 0.00 0.00 0.00 0.00 34.83 35.45 1afr s MET 177 CO 0.00 -0.39 0.12 0.34 0.00 0.00 0.00 175.02 175.09 1afr s ASP 178 N -1.69 4.36 0.00 1.11 -1.08 -1.26 -4.97 116.67 113.14 1afr s ASP 178 Ca -0.07 -2.21 0.20 0.00 -0.52 0.00 0.00 52.55 49.95 1afr s ASP 178 Cb -0.00 -1.35 1.12 0.00 -1.46 0.00 0.00 42.92 41.22 1afr s ASP 178 CO 0.02 -0.35 1.61 -0.81 0.52 0.00 0.00 175.17 176.16 1afr n PRO 179 N 4.15 0.47 -3.42 4.34 -0.04 -1.26 -4.88 135.00 134.36 1afr n PRO 179 Ca 0.03 0.05 -0.20 0.00 -0.04 0.00 0.00 63.50 63.34 1afr n PRO 179 Cb 0.39 -1.50 0.07 0.00 -0.04 0.00 0.00 33.50 32.42 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 -1.14 -6.68 0.00 0.54 1.74 -1.26 -4.79 116.66 105.07 1afr n ARG 180 Ca 0.13 0.69 0.12 0.00 -0.77 0.00 0.00 57.85 58.01 1afr n ARG 180 Cb 0.11 -5.33 0.16 0.00 -1.02 0.00 0.00 32.46 26.38 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 -4.60 0.00 -4.15 0.55 -2.24 -1.26 -4.99 114.28 97.59 1afr n THR 181 Ca 0.01 -0.02 -0.33 0.00 -2.27 0.00 0.00 64.05 61.44 1afr n THR 181 Cb 0.55 0.49 -0.03 0.00 -2.10 0.00 0.00 70.33 69.24 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 -1.38 -3.02 -1.23 -0.78 1.02 -1.26 -1.10 120.64 112.89 1afr n GLU 182 Ca 0.06 0.36 -0.08 0.00 -0.02 0.00 0.00 57.16 57.48 1afr n GLU 182 Cb 0.34 -4.81 -0.03 0.00 -0.02 0.00 0.00 31.44 26.92 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 -2.77 -5.63 -4.55 1.62 4.13 -1.26 -1.82 115.26 104.98 1afr n ASN 183 Ca -0.07 0.19 -0.40 0.00 1.68 0.00 0.00 54.58 55.98 1afr n ASN 183 Cb 0.57 -3.82 -0.10 0.00 -1.54 0.00 0.00 39.78 34.88 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 6.09 0.60 6.41 0.15 -0.26 -1.08 113.70 123.29 1afr s SER 184 Ca 0.00 -0.25 0.31 0.00 0.70 0.00 0.00 55.95 56.71 1afr s SER 184 Cb 0.00 -2.15 1.82 0.00 -1.71 0.00 0.00 66.02 63.98 1afr s SER 184 CO 0.00 -0.22 2.22 -0.65 1.20 0.00 0.00 173.24 175.79 1afr h PRO 185 N 8.44 0.00 -0.04 5.44 0.11 -1.91 0.37 132.00 144.41 1afr h PRO 185 Ca -0.32 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.79 1afr h PRO 185 Cb 1.16 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 1afr h PRO 185 CO 0.63 0.00 -0.01 1.88 -0.21 0.00 0.00 178.00 180.29 1afr h TYR 186 N 0.00 0.08 -0.13 0.65 -1.99 -1.92 -1.84 116.97 111.82 1afr h TYR 186 Ca 0.02 -0.02 -0.08 0.00 2.00 0.00 0.00 58.73 60.66 1afr h TYR 186 Cb 0.14 -0.02 -0.00 0.00 2.00 0.00 0.00 36.73 38.85 1afr h TYR 186 CO 0.00 0.42 -0.22 -0.07 -0.00 0.00 0.00 178.16 178.29 1afr h LEU 187 N -0.29 0.42 -0.24 3.88 3.38 -1.58 -3.20 115.31 117.68 1afr h LEU 187 Ca 0.01 -0.54 0.06 0.00 0.09 0.00 0.00 57.88 57.50 1afr h LEU 187 Cb 0.39 -0.12 -0.07 0.00 0.09 0.00 0.00 40.66 40.96 1afr h LEU 187 CO 0.00 0.88 -0.21 1.23 0.09 0.00 0.00 178.44 180.44 1afr h GLY 188 N -0.02 -0.08 2.00 0.83 0.00 -0.34 -1.10 103.07 104.36 1afr h GLY 188 Ca 0.01 0.26 0.00 0.00 0.00 0.00 0.00 47.33 47.59 1afr h GLY 188 CO 0.05 -0.19 0.00 0.69 0.00 0.00 0.00 176.54 177.09 1afr n PHE 189 N -5.35 0.71 -0.05 5.60 3.72 -0.69 -1.20 117.46 120.20 1afr n PHE 189 Ca -0.01 0.27 -0.15 0.00 -0.05 0.00 0.00 57.45 57.51 1afr n PHE 189 Cb 0.27 -0.93 -0.13 0.00 -0.94 0.00 0.00 39.48 37.74 1afr n PHE 189 CO 0.00 0.00 0.00 0.82 -0.05 0.00 0.00 176.76 177.53 1afr h ILE 190 N 0.00 1.73 0.10 4.37 1.08 -1.36 -3.01 117.51 120.42 1afr h ILE 190 Ca 0.00 -2.33 0.02 0.00 -0.39 0.00 0.00 64.86 62.16 1afr h ILE 190 Cb 0.40 3.31 -0.05 0.00 -3.07 0.00 0.00 36.82 37.41 1afr h ILE 190 CO 0.00 0.62 -0.43 0.22 -0.69 0.00 0.00 178.15 177.86 1afr h TYR 191 N -0.86 -1.23 -0.60 1.37 3.20 -0.76 -1.41 116.97 116.68 1afr h TYR 191 Ca -0.03 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.88 1afr h TYR 191 Cb 1.09 0.52 -0.03 0.00 1.54 0.00 0.00 36.73 39.86 1afr h TYR 191 CO 0.26 -0.53 0.38 1.79 -1.64 0.00 0.00 178.16 178.42 1afr h THR 192 N -0.66 1.16 -0.72 1.81 1.35 -1.31 -0.69 112.91 113.85 1afr h THR 192 Ca 0.02 -0.32 -0.01 0.00 -0.55 0.00 0.00 66.41 65.55 1afr h THR 192 Cb 0.69 0.30 -0.03 0.00 -1.73 0.00 0.00 68.15 67.37 1afr h THR 192 CO -0.26 0.16 0.42 0.28 -0.25 0.00 0.00 175.52 175.87 1afr h SER 193 N 0.81 0.89 0.46 5.36 0.02 -1.27 -0.06 113.55 119.76 1afr h SER 193 Ca 0.22 -0.08 -0.02 0.00 -0.84 0.00 0.00 61.79 61.07 1afr h SER 193 Cb -0.07 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 62.25 1afr h SER 193 CO -0.04 0.71 -0.22 0.15 -1.14 0.00 0.00 176.83 176.28 1afr h PHE 194 N 0.99 -0.57 -0.87 3.45 3.04 -0.25 -2.97 116.94 119.76 1afr h PHE 194 Ca 0.26 -0.01 0.11 0.00 3.98 0.00 0.00 57.97 62.30 1afr h PHE 194 Cb 0.00 0.19 -0.08 0.00 2.56 0.00 0.00 35.95 38.62 1afr h PHE 194 CO -0.01 -0.26 0.50 1.96 -2.02 0.00 0.00 178.31 178.49 1afr h GLN 195 N -0.87 0.79 -0.87 1.11 1.08 -1.03 -0.39 115.11 114.93 1afr h GLN 195 Ca -0.06 -0.05 0.00 0.00 -1.45 0.00 0.00 58.65 57.09 1afr h GLN 195 Cb 0.57 -0.18 -0.04 0.00 -0.05 0.00 0.00 27.48 27.78 1afr h GLN 195 CO 0.10 0.52 0.54 0.93 -0.95 0.00 0.00 178.83 179.98 1afr h GLU 196 N 0.81 1.17 -0.08 1.46 4.39 -1.01 -0.27 114.58 121.05 1afr h GLU 196 Ca 0.43 -0.09 -0.18 0.00 0.34 0.00 0.00 59.36 59.86 1afr h GLU 196 Cb 0.44 -0.25 -0.01 0.00 -0.10 0.00 0.00 28.75 28.83 1afr h GLU 196 CO -0.27 0.80 -0.71 -0.09 -1.16 0.00 0.00 179.01 177.58 1afr h ARG 197 N 1.19 0.39 0.13 2.33 2.43 -1.11 -1.80 114.38 117.95 1afr h ARG 197 Ca 0.32 -0.32 -0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1afr h ARG 197 Cb -0.08 0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 29.53 1afr h ARG 197 CO -0.06 0.95 -0.07 0.00 -1.51 0.00 0.00 179.97 179.28 1afr h ALA 198 N 0.96 -0.18 -0.53 2.80 0.00 -0.21 -1.10 119.26 121.00 1afr h ALA 198 Ca -0.03 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 1afr h ALA 198 Cb 1.28 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 19.13 1afr h ALA 198 CO 0.12 -0.61 0.04 1.79 0.00 0.00 0.00 179.25 180.59 1afr h THR 199 N -0.19 1.25 -0.80 0.00 1.35 -1.08 -0.99 112.91 112.44 1afr h THR 199 Ca -0.01 -1.00 0.06 0.00 -0.55 0.00 0.00 66.41 64.91 1afr h THR 199 Cb 0.15 0.80 -0.06 0.00 -1.73 0.00 0.00 68.15 67.31 1afr h THR 199 CO 0.02 0.36 0.48 0.15 -0.25 0.00 0.00 175.52 176.28 1afr h PHE 200 N 0.82 0.89 0.51 4.73 3.57 -0.97 0.16 116.94 126.65 1afr h PHE 200 Ca 0.16 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.66 1afr h PHE 200 Cb 0.44 -0.28 0.00 0.00 2.79 0.00 0.00 35.95 38.90 1afr h PHE 200 CO 0.03 0.44 -0.24 0.82 -2.23 0.00 0.00 178.31 177.12 1afr h ILE 201 N 0.88 0.29 -0.35 1.41 2.04 -0.62 -0.67 117.51 120.49 1afr h ILE 201 Ca 0.36 -0.46 0.07 0.00 1.00 0.00 0.00 64.86 65.83 1afr h ILE 201 Cb 0.19 0.42 -0.08 0.00 -0.74 0.00 0.00 36.82 36.62 1afr h ILE 201 CO -0.18 0.05 -0.16 0.28 0.00 0.00 0.00 178.15 178.14 1afr h SER 202 N -1.04 -0.54 0.07 1.72 0.02 -1.00 0.15 113.55 112.93 1afr h SER 202 Ca -0.07 0.13 -0.06 0.00 -0.84 0.00 0.00 61.79 60.95 1afr h SER 202 Cb 0.60 0.30 -0.01 0.00 0.14 0.00 0.00 62.40 63.43 1afr h SER 202 CO 0.11 -0.19 -0.18 0.45 -1.14 0.00 0.00 176.83 175.88 1afr h HIS 203 N -0.10 0.23 -0.05 3.45 3.86 -0.74 -1.30 115.15 120.51 1afr h HIS 203 Ca 0.17 -0.03 -0.23 0.00 -1.16 0.00 0.00 60.37 59.12 1afr h HIS 203 Cb 0.37 -0.06 0.01 0.00 1.06 0.00 0.00 27.41 28.78 1afr h HIS 203 CO -0.38 0.40 -0.90 0.78 0.86 0.00 0.00 177.93 178.69 1afr h GLY 204 N 0.81 0.65 0.71 2.45 0.00 0.00 -2.39 103.07 105.30 1afr h GLY 204 Ca 0.04 -1.04 -0.02 0.00 0.00 0.00 0.00 47.33 46.30 1afr h GLY 204 CO 0.03 0.93 -0.03 3.43 0.00 0.00 0.00 176.54 180.90 1afr h ASN 205 N 0.36 0.19 -0.76 0.19 2.35 -0.45 -2.49 115.58 114.98 1afr h ASN 205 Ca -0.08 -0.38 0.03 0.00 -0.55 0.00 0.00 56.30 55.32 1afr h ASN 205 Cb 1.53 -0.05 -0.04 0.00 0.05 0.00 0.00 38.32 39.80 1afr h ASN 205 CO 0.17 0.52 0.50 0.71 -1.65 0.00 0.00 177.43 177.68 1afr h THR 206 N -0.15 1.14 -0.82 2.81 1.35 -1.31 -0.86 112.91 115.07 1afr h THR 206 Ca 0.02 -0.33 0.03 0.00 -0.55 0.00 0.00 66.41 65.58 1afr h THR 206 Cb 0.44 0.10 -0.04 0.00 -1.73 0.00 0.00 68.15 66.92 1afr h THR 206 CO 0.01 0.17 0.54 0.00 -0.25 0.00 0.00 175.52 175.99 1afr h ALA 207 N 1.55 1.47 -0.04 6.62 0.00 -1.20 -0.75 119.26 126.91 1afr h ALA 207 Ca 0.30 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.13 1afr h ALA 207 Cb 0.01 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.50 1afr h ALA 207 CO -0.08 0.46 -0.10 0.00 0.00 0.00 0.00 179.25 179.54 1afr h ARG 208 N 1.05 0.14 -0.17 0.00 3.08 -0.73 -3.13 114.38 114.62 1afr h ARG 208 Ca 0.32 -0.09 -0.01 0.00 0.07 0.00 0.00 59.98 60.26 1afr h ARG 208 Cb -0.02 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.03 1afr h ARG 208 CO -0.08 0.69 0.04 1.96 -1.07 0.00 0.00 179.97 181.50 1afr h GLN 209 N -0.39 0.23 -0.48 0.04 4.20 -1.12 -0.98 115.11 116.62 1afr h GLN 209 Ca 0.00 -0.03 -0.03 0.00 0.06 0.00 0.00 58.65 58.65 1afr h GLN 209 Cb 0.69 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.40 1afr h GLN 209 CO 0.02 0.22 0.17 0.00 -0.67 0.00 0.00 178.83 178.57 1afr h ALA 210 N 1.82 0.62 -0.43 3.87 0.00 -1.15 -0.08 119.26 123.91 1afr h ALA 210 Ca 0.06 -0.16 -0.10 0.00 0.00 0.00 0.00 54.91 54.70 1afr h ALA 210 Cb 0.10 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1afr h ALA 210 CO -0.00 0.25 -0.15 -0.22 0.00 0.00 0.00 179.25 179.13 1afr h LYS 211 N 0.63 0.80 -0.93 0.00 3.64 -1.37 0.33 116.57 119.67 1afr h LYS 211 Ca 0.16 -0.29 0.03 0.00 -1.27 0.00 0.00 60.65 59.28 1afr h LYS 211 Cb 0.23 -0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 31.94 1afr h LYS 211 CO -0.01 0.90 0.61 1.49 -2.27 0.00 0.00 179.45 180.17 1afr h GLU 212 N 0.71 1.17 -0.04 1.90 4.57 -0.67 -0.41 114.58 121.80 1afr h GLU 212 Ca 0.11 -0.07 0.00 0.00 -1.18 0.00 0.00 59.36 58.22 1afr h GLU 212 Cb 0.65 -0.26 0.00 0.00 -0.16 0.00 0.00 28.75 28.97 1afr h GLU 212 CO 0.05 0.77 0.00 0.72 -1.18 0.00 0.00 179.01 179.37 1afr n HIS 213 N -4.43 0.06 -0.36 0.92 8.25 -0.09 -4.89 115.22 114.68 1afr n HIS 213 Ca 0.12 -0.03 0.00 0.00 -0.26 0.00 0.00 57.72 57.55 1afr n HIS 213 Cb 0.07 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.18 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 0.88 0.73 3.20 -1.41 0.00 -0.16 -4.79 105.19 103.64 1afr n GLY 214 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.61 5.86 0.27 1.61 -1.08 0.06 -4.91 116.67 115.88 1afr s ASP 215 Ca 0.00 -2.62 0.12 0.00 -0.52 0.00 0.00 52.55 49.53 1afr s ASP 215 Cb 0.00 -2.01 0.33 0.00 -1.46 0.00 0.00 42.92 39.78 1afr s ASP 215 CO 0.00 -0.50 1.58 0.16 0.52 0.00 0.00 175.17 176.93 1afr h ILE 216 N 5.26 1.33 -0.39 4.11 3.07 -1.88 -2.32 117.51 126.69 1afr h ILE 216 Ca -0.01 -2.18 -0.14 0.00 1.55 0.00 0.00 64.86 64.08 1afr h ILE 216 Cb 1.01 2.21 -0.01 0.00 -0.27 0.00 0.00 36.82 39.76 1afr h ILE 216 CO 0.76 0.60 -0.30 0.11 -1.05 0.00 0.00 178.15 178.27 1afr h LYS 217 N 0.00 0.85 0.00 0.16 1.57 -1.95 0.46 116.57 117.66 1afr h LYS 217 Ca -0.01 -0.39 -0.09 0.00 -1.87 0.00 0.00 60.65 58.29 1afr h LYS 217 Cb 1.16 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.45 1afr h LYS 217 CO 0.08 1.04 -0.41 1.25 -0.57 0.00 0.00 179.45 180.84 1afr h LEU 218 N 0.72 0.00 -0.47 2.94 5.85 -1.91 -1.41 115.31 121.03 1afr h LEU 218 Ca 0.08 0.00 -0.11 0.00 0.84 0.00 0.00 57.88 58.69 1afr h LEU 218 Cb 0.85 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.87 1afr h LEU 218 CO 0.07 0.41 -0.13 0.00 -0.34 0.00 0.00 178.44 178.45 1afr h ALA 219 N 1.59 0.65 -0.31 1.25 0.00 -0.93 -1.46 119.26 120.06 1afr h ALA 219 Ca -0.00 -0.35 -0.03 0.00 0.00 0.00 0.00 54.91 54.53 1afr h ALA 219 Cb 0.73 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1afr h ALA 219 CO 0.05 0.57 0.08 1.96 0.00 0.00 0.00 179.25 181.92 1afr h GLN 220 N 0.77 0.49 0.29 0.00 4.20 -0.34 -0.64 115.11 119.88 1afr h GLN 220 Ca 0.12 -0.11 -0.00 0.00 0.06 0.00 0.00 58.65 58.71 1afr h GLN 220 Cb 0.69 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.38 1afr h GLN 220 CO 0.05 0.55 -0.41 0.82 -0.67 0.00 0.00 178.83 179.17 1afr h ILE 221 N 0.34 0.00 -0.87 2.54 2.04 -1.09 0.90 117.51 121.36 1afr h ILE 221 Ca 0.10 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.99 1afr h ILE 221 Cb 0.28 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 36.31 1afr h ILE 221 CO -0.00 0.00 0.57 0.00 0.00 0.00 0.00 178.15 178.72 1afr h GLY 223 N 1.09 0.48 1.87 0.00 0.00 -0.78 -1.40 103.07 104.34 1afr h GLY 223 Ca 0.34 -0.31 -0.03 0.00 0.00 0.00 0.00 47.33 47.34 1afr h GLY 223 CO -0.10 0.29 -0.05 -0.84 0.00 0.00 0.00 176.54 175.83 1afr h THR 224 N 0.28 1.11 -0.13 4.70 2.02 -0.51 -0.81 112.91 119.57 1afr h THR 224 Ca 0.09 -0.47 -0.22 0.00 0.77 0.00 0.00 66.41 66.58 1afr h THR 224 Cb 0.29 1.09 0.01 0.00 -1.74 0.00 0.00 68.15 67.80 1afr h THR 224 CO 0.00 0.15 -0.77 0.40 0.37 0.00 0.00 175.52 175.67 1afr h ILE 225 N 0.17 1.29 -0.70 3.11 2.04 -1.24 -3.13 117.51 119.05 1afr h ILE 225 Ca 0.04 -1.98 -0.01 0.00 1.00 0.00 0.00 64.86 63.91 1afr h ILE 225 Cb 0.21 2.05 -0.03 0.00 -0.74 0.00 0.00 36.82 38.31 1afr h ILE 225 CO 0.01 0.62 0.42 0.00 0.00 0.00 0.00 178.15 179.20 1afr h ALA 226 N 0.52 0.90 -0.75 1.87 0.00 -0.52 -2.52 119.26 118.76 1afr h ALA 226 Ca -0.06 -0.09 0.10 0.00 0.00 0.00 0.00 54.91 54.86 1afr h ALA 226 Cb 1.40 -0.28 -0.07 0.00 0.00 0.00 0.00 17.79 18.84 1afr h ALA 226 CO 0.16 0.38 0.38 0.00 0.00 0.00 0.00 179.25 180.17 1afr h ALA 227 N 1.22 1.05 -0.62 0.00 0.00 -1.17 0.11 119.26 119.84 1afr h ALA 227 Ca 0.25 0.05 -0.06 0.00 0.00 0.00 0.00 54.91 55.16 1afr h ALA 227 Cb -0.02 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 1afr h ALA 227 CO -0.05 -0.02 0.16 -0.44 0.00 0.00 0.00 179.25 178.90 1afr h ASP 228 N 0.64 0.90 -0.83 0.00 5.19 -1.41 -2.84 116.42 118.08 1afr h ASP 228 Ca 0.37 -0.17 0.01 0.00 -0.62 0.00 0.00 57.03 56.62 1afr h ASP 228 Cb 0.39 -0.24 -0.04 0.00 0.18 0.00 0.00 39.33 39.63 1afr h ASP 228 CO -0.27 0.87 0.55 -0.33 -3.12 0.00 0.00 179.24 176.93 1afr h GLU 229 N 0.92 1.09 -0.89 3.56 4.39 -0.49 -2.44 114.58 120.73 1afr h GLU 229 Ca 0.20 -0.07 -0.00 0.00 0.34 0.00 0.00 59.36 59.83 1afr h GLU 229 Cb 0.31 -0.24 -0.04 0.00 -0.10 0.00 0.00 28.75 28.67 1afr h GLU 229 CO -0.00 0.72 0.55 -0.22 -1.16 0.00 0.00 179.01 178.90 1afr h LYS 230 N 1.12 1.20 -0.61 2.33 3.64 -1.04 -0.74 116.57 122.47 1afr h LYS 230 Ca 0.30 -0.10 -0.07 0.00 -1.27 0.00 0.00 60.65 59.51 1afr h LYS 230 Cb -0.13 -0.26 -0.02 0.00 -0.41 0.00 0.00 32.23 31.41 1afr h LYS 230 CO -0.07 0.83 0.10 0.00 -2.27 0.00 0.00 179.45 178.05 1afr h ARG 231 N 1.22 1.00 -0.75 1.90 3.08 -1.44 0.55 114.38 119.94 1afr h ARG 231 Ca 0.32 -0.27 -0.04 0.00 0.07 0.00 0.00 59.98 60.06 1afr h ARG 231 Cb -0.07 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 29.83 1afr h ARG 231 CO -0.06 0.94 0.30 0.45 -1.07 0.00 0.00 179.97 180.53 1afr h HIS 232 N 0.91 1.13 0.01 3.04 3.86 -1.05 -1.38 115.15 121.66 1afr h HIS 232 Ca 0.18 -0.08 -0.00 0.00 -1.16 0.00 0.00 60.37 59.31 1afr h HIS 232 Cb 0.42 -0.34 0.00 0.00 1.06 0.00 0.00 27.41 28.55 1afr h HIS 232 CO 0.03 0.86 -0.00 1.49 0.86 0.00 0.00 177.93 181.17 1afr h GLU 233 N 1.09 -0.01 -0.54 2.45 4.81 -0.60 -1.50 114.58 120.28 1afr h GLU 233 Ca 0.25 0.00 0.09 0.00 -0.13 0.00 0.00 59.36 59.57 1afr h GLU 233 Cb 0.20 0.00 -0.07 0.00 0.63 0.00 0.00 28.75 29.51 1afr h GLU 233 CO -0.02 0.12 0.14 1.15 -0.73 0.00 0.00 179.01 179.66 1afr h THR 234 N -0.14 0.72 -0.51 0.32 2.02 -0.62 0.06 112.91 114.76 1afr h THR 234 Ca -0.00 -0.10 -0.10 0.00 0.77 0.00 0.00 66.41 66.99 1afr h THR 234 Cb 0.13 0.41 -0.02 0.00 -1.74 0.00 0.00 68.15 66.94 1afr h THR 234 CO 0.00 0.05 -0.07 0.00 0.37 0.00 0.00 175.52 175.88 1afr h ALA 235 N 1.41 0.91 -0.15 6.16 0.00 -1.13 -2.75 119.26 123.71 1afr h ALA 235 Ca 0.28 -0.32 -0.13 0.00 0.00 0.00 0.00 54.91 54.74 1afr h ALA 235 Cb 0.37 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1afr h ALA 235 CO -0.33 0.63 -0.41 1.88 0.00 0.00 0.00 179.25 181.02 1afr h TYR 236 N 0.83 0.71 -0.77 0.00 0.05 -0.51 -3.00 116.97 114.28 1afr h TYR 236 Ca 0.14 -0.28 0.01 0.00 0.05 0.00 0.00 58.73 58.66 1afr h TYR 236 Cb 0.59 -0.12 -0.04 0.00 1.01 0.00 0.00 36.73 38.16 1afr h TYR 236 CO 0.04 1.03 0.51 1.79 -1.05 0.00 0.00 178.16 180.48 1afr h THR 237 N 0.19 1.18 -0.88 -2.88 1.35 -1.03 -1.12 112.91 109.72 1afr h THR 237 Ca -0.01 -0.35 0.04 0.00 -0.55 0.00 0.00 66.41 65.54 1afr h THR 237 Cb 1.03 0.07 -0.05 0.00 -1.73 0.00 0.00 68.15 67.46 1afr h THR 237 CO 0.09 0.19 0.57 0.11 -0.25 0.00 0.00 175.52 176.22 1afr h LYS 238 N 1.02 1.06 -0.77 4.72 1.79 -1.44 0.13 116.57 123.08 1afr h LYS 238 Ca 0.29 -0.06 -0.05 0.00 -2.18 0.00 0.00 60.65 58.65 1afr h LYS 238 Cb -0.09 -0.24 -0.03 0.00 -1.58 0.00 0.00 32.23 30.29 1afr h LYS 238 CO -0.07 0.70 0.30 0.82 -1.08 0.00 0.00 179.45 180.13 1afr h ILE 239 N 1.09 1.26 0.00 1.86 2.04 -1.07 -0.12 117.51 122.57 1afr h ILE 239 Ca 0.36 -0.81 -0.14 0.00 1.00 0.00 0.00 64.86 65.26 1afr h ILE 239 Cb 0.03 0.34 -0.02 0.00 -0.74 0.00 0.00 36.82 36.43 1afr h ILE 239 CO -0.13 0.33 -0.68 0.58 0.00 0.00 0.00 178.15 178.26 1afr h VAL 240 N 1.12 1.47 -0.16 1.67 2.07 -1.03 -1.48 116.25 119.92 1afr h VAL 240 Ca 0.26 -2.34 -0.11 0.00 0.82 0.00 0.00 66.70 65.33 1afr h VAL 240 Cb 0.22 2.27 -0.01 0.00 -1.52 0.00 0.00 31.29 32.24 1afr h VAL 240 CO -0.02 0.67 -0.36 -0.08 0.02 0.00 0.00 177.57 177.79 1afr h GLU 241 N 0.00 0.33 0.07 1.57 4.81 0.08 -1.20 114.58 120.24 1afr h GLU 241 Ca -0.01 -0.15 -0.27 0.00 -0.13 0.00 0.00 59.36 58.80 1afr h GLU 241 Cb 1.21 -0.01 0.02 0.00 0.63 0.00 0.00 28.75 30.60 1afr h GLU 241 CO 0.09 0.65 -1.13 -0.22 -0.73 0.00 0.00 179.01 177.67 1afr h LYS 242 N 0.28 0.54 0.00 1.92 1.63 -0.86 -3.09 116.57 116.99 1afr h LYS 242 Ca 0.03 -0.68 0.00 0.00 -0.85 0.00 0.00 60.65 59.15 1afr h LYS 242 Cb 0.78 0.22 0.00 0.00 -0.60 0.00 0.00 32.23 32.62 1afr h LYS 242 CO 0.06 1.28 0.00 -0.07 -3.45 0.00 0.00 179.45 177.27 1afr h LEU 243 N 0.26 0.00 0.00 5.20 3.38 -0.85 -0.79 115.31 122.51 1afr h LEU 243 Ca -0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.83 1afr h LEU 243 Cb 1.80 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.55 1afr h LEU 243 CO 0.21 0.00 -0.48 0.49 0.09 0.00 0.00 178.44 178.75 1afr n PHE 244 N -2.74 0.47 -0.02 1.13 3.72 -0.49 -1.08 117.46 118.46 1afr n PHE 244 Ca -0.00 0.14 -0.11 0.00 -0.05 0.00 0.00 57.45 57.43 1afr n PHE 244 Cb 0.18 -0.61 -0.14 0.00 -0.94 0.00 0.00 39.48 37.97 1afr n PHE 244 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 1afr n GLU 245 N -1.99 0.65 -0.04 -1.08 1.02 -0.36 -3.62 120.64 115.22 1afr n GLU 245 Ca 0.04 0.30 -0.12 0.00 -0.02 0.00 0.00 57.16 57.36 1afr n GLU 245 Cb 0.41 -1.78 -0.14 0.00 -0.02 0.00 0.00 31.44 29.91 1afr n GLU 245 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 1afr n ILE 246 N -3.12 1.58 -2.94 -3.67 5.41 -0.87 -4.79 119.36 110.97 1afr n ILE 246 Ca -0.19 -0.77 -0.14 0.00 1.00 0.00 0.00 62.75 62.65 1afr n ILE 246 Cb 1.05 -1.05 0.03 0.00 -0.71 0.00 0.00 39.64 38.95 1afr n ILE 246 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 1afr n ASP 247 N -3.07 -1.07 0.15 4.38 2.03 -0.24 -4.99 116.55 113.73 1afr n ASP 247 Ca -0.25 -3.31 0.18 0.00 0.52 0.00 0.00 54.79 51.93 1afr n ASP 247 Cb 1.07 0.77 0.66 0.00 -0.72 0.00 0.00 41.12 42.91 1afr n ASP 247 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 1afr h PRO 248 N 3.25 0.00 0.00 -0.67 0.11 -1.67 -1.98 132.00 131.04 1afr h PRO 248 Ca -0.02 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.09 1afr h PRO 248 Cb 1.02 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.13 1afr h PRO 248 CO 0.32 0.00 -0.16 -0.44 -0.21 0.00 0.00 178.00 177.50 1afr h ASP 249 N 0.00 0.00 -0.94 -2.05 5.19 -1.91 -3.18 116.42 113.52 1afr h ASP 249 Ca 0.16 -0.05 0.01 0.00 -0.62 0.00 0.00 57.03 56.53 1afr h ASP 249 Cb 1.28 0.00 -0.05 0.00 0.18 0.00 0.00 39.33 40.74 1afr h ASP 249 CO -0.00 0.61 0.62 1.23 -3.12 0.00 0.00 179.24 178.58 1afr h GLY 250 N -1.00 1.33 2.00 2.75 0.00 -1.89 -1.40 103.07 104.86 1afr h GLY 250 Ca -0.01 -0.49 -0.03 0.00 0.00 0.00 0.00 47.33 46.80 1afr h GLY 250 CO -0.00 0.47 -0.13 -0.84 0.00 0.00 0.00 176.54 176.04 1afr h THR 251 N 1.27 0.38 0.13 4.70 2.02 -1.55 -1.86 112.91 117.99 1afr h THR 251 Ca 0.35 -0.79 -0.29 0.00 0.77 0.00 0.00 66.41 66.45 1afr h THR 251 Cb -0.13 1.58 0.00 0.00 -1.74 0.00 0.00 68.15 67.87 1afr h THR 251 CO -0.08 0.13 -1.34 0.58 0.37 0.00 0.00 175.52 175.18 1afr h VAL 252 N 0.00 1.39 -0.31 3.16 2.07 -1.26 -2.20 116.25 119.09 1afr h VAL 252 Ca -0.00 -2.97 -0.06 0.00 0.82 0.00 0.00 66.70 64.48 1afr h VAL 252 Cb 0.57 2.89 -0.02 0.00 -1.52 0.00 0.00 31.29 33.21 1afr h VAL 252 CO 0.02 0.87 -0.06 -0.07 0.02 0.00 0.00 177.57 178.34 1afr h LEU 253 N 0.07 0.48 0.25 2.57 3.38 -0.99 -2.30 115.31 118.77 1afr h LEU 253 Ca -0.17 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 57.68 1afr h LEU 253 Cb 1.99 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 42.62 1afr h LEU 253 CO 0.19 0.60 -0.12 0.00 0.09 0.00 0.00 178.44 179.20 1afr h ALA 254 N 1.46 -0.33 -0.98 1.53 0.00 -1.34 0.44 119.26 120.04 1afr h ALA 254 Ca 0.10 -0.20 0.18 0.00 0.00 0.00 0.00 54.91 54.99 1afr h ALA 254 Cb 0.41 0.13 -0.10 0.00 0.00 0.00 0.00 17.79 18.23 1afr h ALA 254 CO 0.02 -0.47 0.58 0.35 0.00 0.00 0.00 179.25 179.72 1afr h PHE 255 N -0.76 1.02 -0.10 0.00 3.57 -1.28 -0.57 116.94 118.81 1afr h PHE 255 Ca -0.03 0.03 -0.24 0.00 3.53 0.00 0.00 57.97 61.26 1afr h PHE 255 Cb 0.50 -0.30 0.01 0.00 2.79 0.00 0.00 35.95 38.95 1afr h PHE 255 CO 0.04 0.24 -0.86 0.00 -2.23 0.00 0.00 178.31 175.51 1afr h ALA 256 N 1.62 0.24 -0.42 2.41 0.00 -1.37 -3.09 119.26 118.66 1afr h ALA 256 Ca 0.55 -0.63 0.03 0.00 0.00 0.00 0.00 54.91 54.86 1afr h ALA 256 Cb 0.82 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.58 1afr h ALA 256 CO -0.37 0.67 0.21 0.22 0.00 0.00 0.00 179.25 179.98 1afr h ASP 257 N 0.48 0.31 -0.69 0.00 3.58 0.56 -1.26 116.42 119.40 1afr h ASP 257 Ca -0.08 0.02 0.07 0.00 0.42 0.00 0.00 57.03 57.46 1afr h ASP 257 Cb 1.50 -0.04 -0.04 0.00 1.72 0.00 0.00 39.33 42.47 1afr h ASP 257 CO 0.17 0.22 0.46 0.24 -2.88 0.00 0.00 179.24 177.45 1afr h MET 258 N 0.42 0.67 -0.32 0.28 2.86 -1.22 -1.83 114.93 115.79 1afr h MET 258 Ca 0.18 -0.04 -0.15 0.00 -2.06 0.00 0.00 59.70 57.63 1afr h MET 258 Cb 0.08 -0.15 -0.00 0.00 0.06 0.00 0.00 31.60 31.59 1afr h MET 258 CO -0.12 0.44 -0.39 0.52 1.06 0.00 0.00 176.91 178.42 1afr h MET 259 N 0.69 0.83 -1.00 1.72 2.86 -1.19 0.56 114.93 119.40 1afr h MET 259 Ca 0.30 -0.47 0.05 0.00 -2.06 0.00 0.00 59.70 57.52 1afr h MET 259 Cb 0.30 0.03 -0.06 0.00 0.06 0.00 0.00 31.60 31.93 1afr h MET 259 CO -0.10 1.10 0.65 0.00 1.06 0.00 0.00 176.91 179.63 1afr h ARG 260 N 0.61 1.20 0.06 1.72 3.08 -0.55 -2.52 114.38 117.98 1afr h ARG 260 Ca 0.04 -0.07 -0.26 0.00 0.07 0.00 0.00 59.98 59.76 1afr h ARG 260 Cb 0.99 -0.27 0.01 0.00 0.08 0.00 0.00 29.97 30.78 1afr h ARG 260 CO 0.09 0.79 -1.10 0.87 -1.07 0.00 0.00 179.97 179.56 1afr h LYS 261 N 1.24 0.49 0.00 0.04 1.57 -1.16 -3.51 116.57 115.24 1afr h LYS 261 Ca 0.41 -0.61 0.00 0.00 -1.87 0.00 0.00 60.65 58.58 1afr h LYS 261 Cb 0.06 0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.57 1afr h LYS 261 CO -0.14 1.24 0.00 1.63 -0.57 0.00 0.00 179.45 181.60 1afr n LYS 262 N -3.74 0.00 -2.50 3.15 5.02 0.19 -4.87 118.16 115.42 1afr n LYS 262 Ca -0.10 0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 55.78 1afr n LYS 262 Cb 0.92 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.90 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 -1.55 3.82 0.00 -0.18 -1.09 -1.25 -4.89 121.20 116.06 1afr s ILE 263 Ca 0.00 0.63 -0.25 0.00 -2.23 0.00 0.00 60.65 58.80 1afr s ILE 263 Cb 0.00 -4.70 -0.05 0.00 -1.58 0.00 0.00 42.46 36.14 1afr s ILE 263 CO 0.00 -1.48 0.78 -0.94 -1.23 0.00 0.00 174.94 172.07 1afr s SER 264 N 3.85 7.17 0.34 3.58 1.04 -1.26 -5.04 113.70 123.38 1afr s SER 264 Ca 0.43 1.40 -0.28 0.00 0.48 0.00 0.00 55.95 57.98 1afr s SER 264 Cb -0.09 -2.47 -0.10 0.00 0.10 0.00 0.00 66.02 63.46 1afr s SER 264 CO 0.21 -0.07 1.32 -0.04 0.98 0.00 0.00 173.24 175.64 1afr s MET 265 N 0.38 4.31 0.44 4.02 1.00 -1.26 -4.93 119.30 123.25 1afr s MET 265 Ca 0.40 2.24 0.13 0.00 0.00 0.00 0.00 55.69 58.47 1afr s MET 265 Cb -0.20 -3.04 1.03 0.00 0.00 0.00 0.00 34.83 32.62 1afr s MET 265 CO 0.22 -0.24 2.01 -1.00 0.00 0.00 0.00 175.02 176.01 1afr h PRO 266 N 3.30 0.38 -0.85 2.03 0.13 -1.99 -2.41 132.00 132.59 1afr h PRO 266 Ca -0.49 -0.02 -0.24 0.00 -0.87 0.00 0.00 66.00 64.37 1afr h PRO 266 Cb 1.23 -0.09 -0.14 0.00 0.13 0.00 0.00 31.00 32.13 1afr h PRO 266 CO 0.65 0.25 0.31 0.00 -0.23 0.00 0.00 178.00 178.98 1afr n ALA 267 N -2.52 4.44 0.48 -0.56 0.00 -1.26 -4.51 120.51 116.58 1afr n ALA 267 Ca 0.08 -2.02 0.11 0.00 0.00 0.00 0.00 53.44 51.60 1afr n ALA 267 Cb 0.30 -1.25 0.44 0.00 0.00 0.00 0.00 19.45 18.93 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 -0.26 0.53 -0.61 0.00 1.44 -0.91 -2.25 115.22 113.16 1afr n HIS 268 Ca 0.38 0.20 0.06 0.00 -2.01 0.00 0.00 57.72 56.35 1afr n HIS 268 Cb 1.28 -0.82 0.35 0.00 0.12 0.00 0.00 29.99 30.92 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 -1.97 5.02 -4.62 2.39 4.77 -1.26 -4.73 117.00 116.59 1afr n LEU 269 Ca 0.03 -2.54 -0.51 0.00 -0.03 0.00 0.00 56.01 52.96 1afr n LEU 269 Cb 0.24 -0.64 -0.06 0.00 -2.33 0.00 0.00 43.42 40.63 1afr n LEU 269 CO 0.19 0.61 1.02 0.80 -1.33 0.00 0.00 177.39 178.68 1afr n MET 270 N 0.63 1.41 -3.71 3.23 1.56 -0.96 -4.26 117.12 115.02 1afr n MET 270 Ca 0.24 0.51 -0.11 0.00 -0.27 0.00 0.00 57.70 58.07 1afr n MET 270 Cb 1.04 -2.19 -0.11 0.00 2.15 0.00 0.00 33.22 34.10 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 0.97 -0.50 -0.19 1.12 5.04 -1.26 -4.13 117.35 118.40 1afr s TYR 271 Ca 0.85 1.10 0.16 0.00 -2.44 0.00 0.00 57.07 56.74 1afr s TYR 271 Cb -0.89 0.19 0.56 0.00 0.35 0.00 0.00 41.96 42.16 1afr s TYR 271 CO 0.47 -0.29 1.46 -0.40 -1.34 0.00 0.00 175.55 175.45 1afr n ASP 272 N 4.10 4.02 0.00 4.32 5.75 -1.26 -4.25 116.55 129.23 1afr n ASP 272 Ca -0.23 -3.05 0.00 0.00 -0.01 0.00 0.00 54.79 51.50 1afr n ASP 272 Cb 0.55 -0.57 0.00 0.00 -1.03 0.00 0.00 41.12 40.07 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 -0.43 2.10 0.00 6.12 0.00 -1.26 -4.72 105.19 106.99 1afr n GLY 273 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.25 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 -3.93 1.61 1.85 -1.26 -4.99 116.66 107.95 1afr n ARG 274 Ca 0.00 0.00 -0.30 0.00 -1.00 0.00 0.00 57.85 56.55 1afr n ARG 274 Cb 0.00 -0.19 -0.16 0.00 -1.05 0.00 0.00 32.46 31.06 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 3.70 0.41 2.89 -1.08 -1.26 -4.99 116.67 116.34 1afr s ASP 275 Ca 0.00 -1.10 0.21 0.00 -0.52 0.00 0.00 52.55 51.14 1afr s ASP 275 Cb 0.00 -1.13 0.85 0.00 -1.46 0.00 0.00 42.92 41.18 1afr s ASP 275 CO 0.00 -0.23 1.81 0.44 0.52 0.00 0.00 175.17 177.71 1afr h ASP 276 N 7.98 0.00 -1.14 -0.34 3.32 -1.95 -3.09 116.42 121.21 1afr h ASP 276 Ca -0.19 0.00 -0.61 0.00 0.02 0.00 0.00 57.03 56.25 1afr h ASP 276 Cb 1.08 0.00 -0.38 0.00 0.22 0.00 0.00 39.33 40.24 1afr h ASP 276 CO 0.41 0.30 -0.27 0.59 -1.72 0.00 0.00 179.24 178.55 1afr n ASN 277 N -3.54 5.67 -0.05 6.45 4.13 -1.26 -4.81 115.26 121.85 1afr n ASN 277 Ca -0.00 -3.76 -0.08 0.00 1.68 0.00 0.00 54.58 52.41 1afr n ASN 277 Cb 0.44 -0.57 -0.02 0.00 -1.54 0.00 0.00 39.78 38.09 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 2.35 -0.03 -0.40 3.41 5.85 -1.71 -1.32 115.31 123.45 1afr h LEU 278 Ca 0.42 0.04 0.03 0.00 0.84 0.00 0.00 57.88 59.20 1afr h LEU 278 Cb 1.07 0.06 -0.03 0.00 0.37 0.00 0.00 40.66 42.13 1afr h LEU 278 CO 1.01 0.01 0.21 0.15 -0.34 0.00 0.00 178.44 179.49 1afr h PHE 279 N 0.10 0.40 -0.87 1.25 3.57 -1.85 0.17 116.94 119.70 1afr h PHE 279 Ca 0.10 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.59 1afr h PHE 279 Cb 0.11 -0.12 -0.04 0.00 2.79 0.00 0.00 35.95 38.69 1afr h PHE 279 CO -0.16 0.21 0.44 -0.44 -2.23 0.00 0.00 178.31 176.14 1afr h ASP 280 N 0.43 1.12 -0.43 0.41 3.32 -1.86 0.23 116.42 119.64 1afr h ASP 280 Ca 0.17 -0.12 -0.11 0.00 0.02 0.00 0.00 57.03 56.99 1afr h ASP 280 Cb 0.06 -0.29 -0.02 0.00 0.22 0.00 0.00 39.33 39.30 1afr h ASP 280 CO -0.10 0.93 -0.14 0.45 -1.72 0.00 0.00 179.24 178.65 1afr h HIS 281 N 1.24 1.02 -0.17 4.55 3.86 -0.36 0.93 115.15 126.21 1afr h HIS 281 Ca 0.30 -0.21 -0.04 0.00 -1.16 0.00 0.00 60.37 59.26 1afr h HIS 281 Cb 0.08 -0.25 -0.01 0.00 1.06 0.00 0.00 27.41 28.30 1afr h HIS 281 CO 0.01 0.98 -0.05 0.35 0.86 0.00 0.00 177.93 180.09 1afr h PHE 282 N 0.81 0.38 -0.62 2.45 3.57 -0.25 -2.87 116.94 120.42 1afr h PHE 282 Ca 0.12 -0.08 0.04 0.00 3.53 0.00 0.00 57.97 61.58 1afr h PHE 282 Cb 0.67 -0.09 -0.04 0.00 2.79 0.00 0.00 35.95 39.28 1afr h PHE 282 CO 0.04 0.61 0.36 0.77 -2.23 0.00 0.00 178.31 177.87 1afr h SER 283 N 0.04 0.57 -0.70 0.41 0.02 -0.28 -2.21 113.55 111.41 1afr h SER 283 Ca 0.04 0.01 0.12 0.00 -0.84 0.00 0.00 61.79 61.13 1afr h SER 283 Cb 0.49 -0.11 -0.09 0.00 0.14 0.00 0.00 62.40 62.84 1afr h SER 283 CO 0.02 0.39 0.26 0.00 -1.14 0.00 0.00 176.83 176.36 1afr h ALA 284 N 1.29 0.95 -0.28 3.77 0.00 -0.67 0.17 119.26 124.49 1afr h ALA 284 Ca 0.26 0.11 -0.14 0.00 0.00 0.00 0.00 54.91 55.14 1afr h ALA 284 Cb 0.08 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1afr h ALA 284 CO -0.13 -0.21 -0.40 0.28 0.00 0.00 0.00 179.25 178.79 1afr h VAL 285 N 0.42 1.29 -0.52 0.00 2.07 -1.20 -0.72 116.25 117.59 1afr h VAL 285 Ca 0.37 -1.57 -0.08 0.00 0.82 0.00 0.00 66.70 66.24 1afr h VAL 285 Cb 0.53 1.51 -0.02 0.00 -1.52 0.00 0.00 31.29 31.79 1afr h VAL 285 CO -0.38 0.50 -0.00 0.00 0.02 0.00 0.00 177.57 177.71 1afr h ALA 286 N 1.01 0.70 0.56 1.67 0.00 -0.69 -0.14 119.26 122.37 1afr h ALA 286 Ca 0.05 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.64 1afr h ALA 286 Cb 0.93 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 18.53 1afr h ALA 286 CO 0.08 0.52 -0.27 0.37 0.00 0.00 0.00 179.25 179.96 1afr h GLN 287 N 0.79 -0.72 -0.81 0.00 5.75 -0.60 0.86 115.11 120.38 1afr h GLN 287 Ca 0.15 0.05 0.11 0.00 -0.15 0.00 0.00 58.65 58.80 1afr h GLN 287 Cb 0.53 0.16 -0.08 0.00 1.07 0.00 0.00 27.48 29.17 1afr h GLN 287 CO 0.03 -0.48 0.44 -0.09 -2.65 0.00 0.00 178.83 176.09 1afr h ARG 288 N -0.76 0.70 0.00 1.69 2.43 -0.97 -0.32 114.38 117.16 1afr h ARG 288 Ca -0.08 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.05 1afr h ARG 288 Cb 0.58 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.97 1afr h ARG 288 CO 0.13 0.47 0.00 -0.07 -1.51 0.00 0.00 179.97 178.98 1afr h LEU 289 N 0.72 0.00 0.00 3.80 4.07 -0.88 -3.47 115.31 119.56 1afr h LEU 289 Ca 0.40 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.36 1afr h LEU 289 Cb 0.42 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.16 1afr h LEU 289 CO -0.27 0.00 0.00 0.61 -1.08 0.00 0.00 178.44 177.70 1afr n GLY 290 N 0.87 0.50 0.14 0.83 0.00 -0.13 -4.95 105.19 102.46 1afr n GLY 290 Ca 0.04 -0.90 -0.23 0.00 0.00 0.00 0.00 46.02 44.93 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 1.36 -1.42 1.61 2.07 -1.14 -3.44 116.25 115.29 1afr h VAL 291 Ca 0.00 -2.63 -0.11 0.00 0.82 0.00 0.00 66.70 64.78 1afr h VAL 291 Cb 0.17 3.10 -0.25 0.00 -1.52 0.00 0.00 31.29 32.78 1afr h VAL 291 CO 0.00 0.77 -0.48 -0.47 0.02 0.00 0.00 177.57 177.41 1afr s TYR 292 N -2.53 -1.33 0.50 1.57 5.04 -1.14 -3.99 117.35 115.48 1afr s TYR 292 Ca -0.11 0.52 0.00 0.00 -2.44 0.00 0.00 57.07 55.04 1afr s TYR 292 Cb 0.03 0.03 0.01 0.00 0.35 0.00 0.00 41.96 42.38 1afr s TYR 292 CO 0.90 -1.04 0.73 0.95 -1.34 0.00 0.00 175.55 175.75 1afr s THR 293 N 2.53 3.42 0.18 4.34 -4.23 -1.26 -3.39 115.64 117.22 1afr s THR 293 Ca 0.11 -0.52 0.35 0.00 -1.18 0.00 0.00 61.69 60.44 1afr s THR 293 Cb -0.11 -3.28 0.39 0.00 1.34 0.00 0.00 72.50 70.84 1afr s THR 293 CO -0.25 -0.21 2.04 0.00 -0.54 0.00 0.00 174.62 175.66 1afr h ALA 294 N 0.21 1.00 -0.40 3.99 0.00 -1.94 -1.82 119.26 120.29 1afr h ALA 294 Ca -0.44 0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.34 1afr h ALA 294 Cb 1.27 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 1afr h ALA 294 CO 0.56 0.00 -0.27 -0.22 0.00 0.00 0.00 179.25 179.32 1afr h LYS 295 N 0.00 0.85 -0.55 0.00 3.64 -1.94 -2.86 116.57 115.70 1afr h LYS 295 Ca 0.00 -0.37 0.05 0.00 -1.27 0.00 0.00 60.65 59.06 1afr h LYS 295 Cb 0.39 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.16 1afr h LYS 295 CO 0.00 1.01 0.37 -0.44 -2.27 0.00 0.00 179.45 178.12 1afr h ASP 296 N 0.73 0.48 -0.12 4.20 3.32 -1.72 -0.03 116.42 123.28 1afr h ASP 296 Ca 0.09 -0.00 0.02 0.00 0.02 0.00 0.00 57.03 57.16 1afr h ASP 296 Cb 0.81 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 40.24 1afr h ASP 296 CO 0.07 0.32 -0.00 0.22 -1.72 0.00 0.00 179.24 178.12 1afr h TYR 297 N 0.55 -0.01 -0.34 4.55 5.03 -1.56 0.71 116.97 125.90 1afr h TYR 297 Ca 0.23 0.01 -0.04 0.00 2.58 0.00 0.00 58.73 61.51 1afr h TYR 297 Cb 0.23 0.02 -0.01 0.00 1.55 0.00 0.00 36.73 38.52 1afr h TYR 297 CO -0.00 -0.02 0.05 0.00 -1.32 0.00 0.00 178.16 176.87 1afr h ALA 298 N 1.10 0.45 -0.92 1.82 0.00 -1.31 -2.23 119.26 118.17 1afr h ALA 298 Ca 0.05 -0.20 0.08 0.00 0.00 0.00 0.00 54.91 54.84 1afr h ALA 298 Cb 0.07 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 17.66 1afr h ALA 298 CO -0.10 0.15 0.60 -0.44 0.00 0.00 0.00 179.25 179.46 1afr h ASP 299 N 0.39 0.88 -0.24 0.00 5.19 -0.59 0.20 116.42 122.25 1afr h ASP 299 Ca 0.10 0.02 -0.15 0.00 -0.62 0.00 0.00 57.03 56.38 1afr h ASP 299 Cb 0.36 -0.17 -0.01 0.00 0.18 0.00 0.00 39.33 39.69 1afr h ASP 299 CO 0.01 0.54 -0.42 0.40 -3.12 0.00 0.00 179.24 176.65 1afr h ILE 300 N 0.99 1.28 -0.07 0.35 2.04 -0.73 -1.60 117.51 119.77 1afr h ILE 300 Ca 0.42 -1.60 -0.00 0.00 1.00 0.00 0.00 64.86 64.67 1afr h ILE 300 Cb 0.31 1.48 -0.00 0.00 -0.74 0.00 0.00 36.82 37.86 1afr h ILE 300 CO -0.17 0.52 0.03 0.25 0.00 0.00 0.00 178.15 178.77 1afr h LEU 301 N 0.65 0.10 -0.75 1.44 5.85 -0.56 -1.26 115.31 120.77 1afr h LEU 301 Ca 0.05 -0.18 0.04 0.00 0.84 0.00 0.00 57.88 58.63 1afr h LEU 301 Cb 0.98 -0.03 -0.05 0.00 0.37 0.00 0.00 40.66 41.94 1afr h LEU 301 CO 0.09 0.25 0.47 -0.08 -0.34 0.00 0.00 178.44 178.84 1afr h GLU 302 N -0.06 0.89 -0.00 1.25 4.81 -0.64 -0.98 114.58 119.85 1afr h GLU 302 Ca 0.02 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1afr h GLU 302 Cb 0.18 -0.20 -0.00 0.00 0.63 0.00 0.00 28.75 29.36 1afr h GLU 302 CO -0.00 0.59 0.00 0.35 -0.73 0.00 0.00 179.01 179.22 1afr h PHE 303 N 0.91 0.01 -0.93 0.92 3.57 -1.11 -1.79 116.94 118.52 1afr h PHE 303 Ca 0.31 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.82 1afr h PHE 303 Cb 0.04 -0.00 -0.05 0.00 2.79 0.00 0.00 35.95 38.73 1afr h PHE 303 CO -0.04 0.11 0.62 -0.07 -2.23 0.00 0.00 178.31 176.69 1afr h LEU 304 N -0.09 1.06 -0.10 0.59 3.38 -0.75 0.73 115.31 120.13 1afr h LEU 304 Ca 0.00 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 1afr h LEU 304 Cb 0.10 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.59 1afr h LEU 304 CO -0.00 0.76 0.06 0.58 0.09 0.00 0.00 178.44 179.93 1afr h VAL 305 N 1.25 1.06 0.00 1.22 2.07 -1.07 0.62 116.25 121.39 1afr h VAL 305 Ca 0.35 -0.16 -0.11 0.00 0.82 0.00 0.00 66.70 67.60 1afr h VAL 305 Cb -0.12 0.99 -0.02 0.00 -1.52 0.00 0.00 31.29 30.63 1afr h VAL 305 CO -0.08 0.05 -0.52 1.23 0.02 0.00 0.00 177.57 178.27 1afr h GLY 306 N 0.09 0.00 1.03 2.17 0.00 -0.81 -0.36 103.07 105.18 1afr h GLY 306 Ca 0.03 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.19 1afr h GLY 306 CO -0.01 0.00 -0.57 -0.09 0.00 0.00 0.00 176.54 175.87 1afr h ARG 307 N 0.00 0.69 -0.03 4.80 1.12 0.85 -2.93 114.38 118.87 1afr h ARG 307 Ca -0.01 -0.51 0.00 0.00 -1.11 0.00 0.00 59.98 58.35 1afr h ARG 307 Cb 0.96 0.09 0.00 0.00 -0.01 0.00 0.00 29.97 31.01 1afr h ARG 307 CO 0.07 1.13 0.00 0.91 -3.11 0.00 0.00 179.97 178.97 1afr n TRP 308 N -4.11 0.03 -4.11 2.20 8.01 0.18 -4.93 117.44 114.70 1afr n TRP 308 Ca -0.07 -0.02 -0.28 0.00 -1.31 0.00 0.00 57.50 55.82 1afr n TRP 308 Cb 0.63 0.00 -0.05 0.00 -2.01 0.00 0.00 31.31 29.88 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 -0.06 -2.37 0.07 -0.99 5.02 -0.21 -4.82 118.16 114.81 1afr n LYS 309 Ca 0.19 0.28 0.07 0.00 -2.02 0.00 0.00 58.31 56.84 1afr n LYS 309 Cb 0.29 -4.21 0.52 0.00 -0.02 0.00 0.00 35.03 31.61 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 -1.78 1.02 -0.42 -0.18 2.07 -1.70 -1.83 116.25 113.43 1afr h VAL 310 Ca -0.64 -0.11 -0.10 0.00 0.82 0.00 0.00 66.70 66.67 1afr h VAL 310 Cb 1.39 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 31.80 1afr h VAL 310 CO 0.67 0.06 -0.13 -2.24 0.02 0.00 0.00 177.57 175.95 1afr h ASP 311 N 0.33 0.77 0.00 0.57 2.03 -1.88 -3.09 116.42 115.16 1afr h ASP 311 Ca 0.13 -0.24 0.00 0.00 -0.73 0.00 0.00 57.03 56.18 1afr h ASP 311 Cb 0.10 -0.21 0.00 0.00 -0.83 0.00 0.00 39.33 38.39 1afr h ASP 311 CO -0.03 0.92 0.00 0.29 -1.03 0.00 0.00 179.24 179.40 1afr n LYS 312 N -4.15 0.99 -3.37 4.15 5.02 -0.69 -4.80 118.16 115.32 1afr n LYS 312 Ca 0.01 0.00 -0.44 0.00 -2.02 0.00 0.00 58.31 55.86 1afr n LYS 312 Cb 0.38 -1.00 -0.08 0.00 -0.02 0.00 0.00 35.03 34.30 1afr n LYS 312 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1afr s LEU 313 N 0.00 5.27 0.23 -0.35 1.43 -1.17 -5.06 118.68 119.03 1afr s LEU 313 Ca 0.00 -1.04 -0.01 0.00 -1.03 0.00 0.00 54.13 52.05 1afr s LEU 313 Cb 0.00 -2.24 -0.04 0.00 0.03 0.00 0.00 46.19 43.94 1afr s LEU 313 CO 0.00 -0.61 0.43 -0.89 0.23 0.00 0.00 176.35 175.51 1afr s THR 314 N 1.85 5.17 -0.25 5.49 2.01 -1.26 -4.54 115.64 124.11 1afr s THR 314 Ca 0.07 -0.35 -0.01 0.00 0.31 0.00 0.00 61.69 61.71 1afr s THR 314 Cb -0.21 -3.75 0.00 0.00 0.01 0.00 0.00 72.50 68.55 1afr s THR 314 CO 0.09 -0.25 0.15 0.61 -0.69 0.00 0.00 174.62 174.53 1afr n GLY 315 N -0.87 0.57 3.43 4.40 0.00 -1.26 -5.06 105.19 106.40 1afr n GLY 315 Ca -0.04 -0.58 -0.32 0.00 0.00 0.00 0.00 46.02 45.07 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 -1.78 2.53 1.13 0.99 1.43 -1.26 -4.95 118.68 116.77 1afr s LEU 316 Ca 0.07 -0.30 -0.12 0.00 -1.03 0.00 0.00 54.13 52.74 1afr s LEU 316 Cb -0.03 -1.49 0.26 0.00 0.03 0.00 0.00 46.19 44.96 1afr s LEU 316 CO 0.09 0.33 1.04 -0.94 0.23 0.00 0.00 176.35 177.10 1afr s SER 317 N -0.80 1.29 0.48 2.29 1.04 -1.26 -4.59 113.70 112.14 1afr s SER 317 Ca 0.12 1.53 0.13 0.00 0.48 0.00 0.00 55.95 58.21 1afr s SER 317 Cb -0.10 -2.28 1.11 0.00 0.10 0.00 0.00 66.02 64.85 1afr s SER 317 CO 0.01 -4.01 2.10 0.00 0.98 0.00 0.00 173.24 172.32 1afr h ALA 318 N -2.49 1.87 -0.08 5.32 0.00 -2.00 0.88 119.26 122.75 1afr h ALA 318 Ca -0.59 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.26 1afr h ALA 318 Cb 1.33 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.06 1afr h ALA 318 CO 0.50 0.11 -0.05 1.49 0.00 0.00 0.00 179.25 181.30 1afr h GLU 319 N 0.17 0.18 0.00 0.00 4.81 -2.00 0.41 114.58 118.16 1afr h GLU 319 Ca 0.04 -0.09 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 1afr h GLU 319 Cb 0.02 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.40 1afr h GLU 319 CO -0.01 0.57 0.00 0.78 -0.73 0.00 0.00 179.01 179.62 1afr h GLY 320 N -0.20 0.00 1.44 1.92 0.00 -1.67 -2.22 103.07 102.33 1afr h GLY 320 Ca 0.02 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 47.13 1afr h GLY 320 CO 0.01 0.00 -0.88 -1.61 0.00 0.00 0.00 176.54 174.07 1afr h GLN 321 N 0.00 0.52 -0.07 4.80 4.15 0.12 -0.94 115.11 123.69 1afr h GLN 321 Ca 0.00 -0.50 -0.01 0.00 0.77 0.00 0.00 58.65 58.92 1afr h GLN 321 Cb 0.53 0.13 -0.00 0.00 0.21 0.00 0.00 27.48 28.35 1afr h GLN 321 CO 0.00 1.13 0.02 0.87 -1.93 0.00 0.00 178.83 178.93 1afr h LYS 322 N 0.32 0.11 0.09 1.69 1.57 -0.35 -2.42 116.57 117.59 1afr h LYS 322 Ca -0.07 -0.02 0.01 0.00 -1.87 0.00 0.00 60.65 58.70 1afr h LYS 322 Cb 1.50 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 33.77 1afr h LYS 322 CO 0.16 0.27 -0.14 0.00 -0.57 0.00 0.00 179.45 179.17 1afr h ALA 323 N 0.84 -0.24 -0.65 3.86 0.00 -1.39 -0.95 119.26 120.74 1afr h ALA 323 Ca 0.02 -0.02 0.10 0.00 0.00 0.00 0.00 54.91 55.01 1afr h ALA 323 Cb 0.20 0.21 -0.08 0.00 0.00 0.00 0.00 17.79 18.12 1afr h ALA 323 CO -0.00 -0.66 0.25 0.37 0.00 0.00 0.00 179.25 179.21 1afr h GLN 324 N -0.28 0.41 -0.10 0.00 4.15 -1.14 0.44 115.11 118.59 1afr h GLN 324 Ca 0.02 -0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.40 1afr h GLN 324 Cb 0.29 -0.09 -0.00 0.00 0.21 0.00 0.00 27.48 27.88 1afr h GLN 324 CO -0.07 0.27 0.01 -0.44 -1.93 0.00 0.00 178.83 176.68 1afr h ASP 325 N 0.42 0.16 -0.47 -0.69 3.32 -1.24 -1.15 116.42 116.78 1afr h ASP 325 Ca 0.33 -0.27 0.09 0.00 0.02 0.00 0.00 57.03 57.20 1afr h ASP 325 Cb 0.43 -0.04 -0.07 0.00 0.22 0.00 0.00 39.33 39.87 1afr h ASP 325 CO -0.33 0.39 0.04 0.22 -1.72 0.00 0.00 179.24 177.84 1afr h TYR 326 N -0.08 0.04 -0.29 4.55 3.20 -0.45 0.81 116.97 124.75 1afr h TYR 326 Ca 0.03 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.92 1afr h TYR 326 Cb 0.30 0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.61 1afr h TYR 326 CO 0.02 -0.06 0.12 0.28 -1.64 0.00 0.00 178.16 176.88 1afr h VAL 327 N 0.16 1.17 0.00 1.81 2.07 -0.83 -1.52 116.25 119.11 1afr h VAL 327 Ca 0.24 -0.51 -0.08 0.00 0.82 0.00 0.00 66.70 67.16 1afr h VAL 327 Cb 0.34 0.97 -0.01 0.00 -1.52 0.00 0.00 31.29 31.06 1afr h VAL 327 CO -0.36 0.18 -0.38 0.00 0.02 0.00 0.00 177.57 177.03 1afr h ARG 329 N 0.00 0.00 -0.22 0.00 3.08 -0.75 -3.40 114.38 113.09 1afr h ARG 329 Ca -0.00 0.00 0.04 0.00 0.07 0.00 0.00 59.98 60.09 1afr h ARG 329 Cb 0.76 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.77 1afr h ARG 329 CO 0.05 0.27 -0.04 1.25 -1.07 0.00 0.00 179.97 180.44 1afr h LEU 330 N 0.00 -0.16 -0.39 3.04 5.85 -1.23 -3.09 115.31 119.32 1afr h LEU 330 Ca -0.11 0.06 0.05 0.00 0.84 0.00 0.00 57.88 58.72 1afr h LEU 330 Cb 1.45 0.12 -0.08 0.00 0.37 0.00 0.00 40.66 42.52 1afr h LEU 330 CO 0.04 -0.05 -0.55 -0.65 -0.34 0.00 0.00 178.44 176.89 1afr h PRO 331 N 0.02 -0.39 0.00 5.25 0.11 -1.78 0.20 132.00 135.41 1afr h PRO 331 Ca 0.11 0.03 -0.04 0.00 0.11 0.00 0.00 66.00 66.21 1afr h PRO 331 Cb 0.15 0.09 -0.01 0.00 0.11 0.00 0.00 31.00 31.35 1afr h PRO 331 CO -0.21 -0.26 -0.17 -1.35 -0.21 0.00 0.00 178.00 175.80 1afr h PRO 332 N -0.41 0.00 0.19 1.05 0.11 -1.85 -0.04 132.00 131.05 1afr h PRO 332 Ca 0.07 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.17 1afr h PRO 332 Cb 0.60 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.71 1afr h PRO 332 CO -0.58 0.17 -0.09 -0.09 -0.21 0.00 0.00 178.00 177.20 1afr h ARG 333 N 0.00 -0.25 -0.55 1.05 2.43 -1.18 -1.62 114.38 114.26 1afr h ARG 333 Ca -0.00 0.02 -0.07 0.00 -0.81 0.00 0.00 59.98 59.12 1afr h ARG 333 Cb 0.40 0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.99 1afr h ARG 333 CO 0.02 -0.03 0.08 0.82 -1.51 0.00 0.00 179.97 179.36 1afr h ILE 334 N -0.43 1.25 -0.12 1.20 1.08 -0.29 0.30 117.51 120.51 1afr h ILE 334 Ca -0.03 -0.97 0.04 0.00 -0.39 0.00 0.00 64.86 63.52 1afr h ILE 334 Cb 0.33 0.82 -0.06 0.00 -3.07 0.00 0.00 36.82 34.84 1afr h ILE 334 CO 0.04 0.35 -0.38 -0.09 -0.69 0.00 0.00 178.15 177.38 1afr h ARG 335 N 0.80 -0.45 -0.28 2.37 9.65 -0.89 -0.26 114.38 125.32 1afr h ARG 335 Ca 0.17 0.03 -0.06 0.00 -1.10 0.00 0.00 59.98 59.02 1afr h ARG 335 Cb 0.42 0.10 -0.01 0.00 -1.39 0.00 0.00 29.97 29.09 1afr h ARG 335 CO 0.01 -0.30 -0.05 0.00 2.80 0.00 0.00 179.97 182.44 1afr h ARG 336 N -0.47 0.53 -0.56 0.20 3.08 -1.13 -3.05 114.38 112.98 1afr h ARG 336 Ca 0.08 -0.19 0.09 0.00 0.07 0.00 0.00 59.98 60.03 1afr h ARG 336 Cb 0.60 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.58 1afr h ARG 336 CO -0.37 0.72 0.38 1.25 -1.07 0.00 0.00 179.97 180.88 1afr h LEU 337 N 0.30 0.35 -3.33 3.04 5.85 -0.42 -2.05 115.31 119.04 1afr h LEU 337 Ca 0.07 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.80 1afr h LEU 337 Cb 0.51 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.47 1afr h LEU 337 CO 0.02 0.21 0.00 -0.62 -0.34 0.00 0.00 178.44 177.72 1afr n GLU 338 N -4.47 3.80 0.00 1.25 -0.58 -0.15 -4.56 120.64 115.93 1afr n GLU 338 Ca 0.09 -2.92 0.15 0.00 -0.42 0.00 0.00 57.16 54.06 1afr n GLU 338 Cb 0.35 -1.97 0.74 0.00 -0.57 0.00 0.00 31.44 29.99 1afr n GLU 338 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 1afr n GLU 339 N 0.26 0.60 -0.13 3.49 2.13 -0.77 -4.48 120.64 121.73 1afr n GLU 339 Ca 0.24 -0.07 0.00 0.00 0.66 0.00 0.00 57.16 57.98 1afr n GLU 339 Cb 0.98 -1.50 0.00 0.00 0.27 0.00 0.00 31.44 31.19 1afr n GLU 339 CO 0.00 0.00 0.00 2.89 -0.41 0.00 0.00 177.13 179.61 1afr n ARG 340 N -1.14 0.44 -1.32 5.31 1.85 -1.26 -4.80 116.66 115.75 1afr n ARG 340 Ca 0.16 0.00 -0.41 0.00 -1.00 0.00 0.00 57.85 56.59 1afr n ARG 340 Cb 0.23 -1.28 -0.05 0.00 -1.05 0.00 0.00 32.46 30.31 1afr n ARG 340 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1afr n ALA 341 N 1.35 3.24 0.00 2.89 0.00 -1.26 -3.77 120.51 122.96 1afr n ALA 341 Ca 0.00 -3.32 0.00 0.00 0.00 0.00 0.00 53.44 50.12 1afr n ALA 341 Cb 0.22 -3.61 0.00 0.00 0.00 0.00 0.00 19.45 16.06 1afr n ALA 341 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1afr n GLN 342 N 7.14 0.03 0.02 0.00 1.13 -1.26 -4.54 117.38 119.90 1afr n GLN 342 Ca 0.49 0.00 -0.12 0.00 -1.94 0.00 0.00 57.00 55.43 1afr n GLN 342 Cb 0.41 -0.76 -0.09 0.00 0.11 0.00 0.00 30.24 29.91 1afr n GLN 342 CO 0.00 0.00 0.00 0.78 -1.44 0.00 0.00 177.06 176.40 1afr h GLY 343 N 0.00 -0.13 1.28 1.08 0.00 -1.94 -2.12 103.07 101.24 1afr h GLY 343 Ca 0.00 0.05 -0.25 0.00 0.00 0.00 0.00 47.33 47.13 1afr h GLY 343 CO 0.00 -0.05 -0.96 -0.09 0.00 0.00 0.00 176.54 175.44 1afr h ARG 344 N -0.77 0.66 0.56 4.80 2.43 -1.84 -2.49 114.38 117.74 1afr h ARG 344 Ca -0.01 -0.67 -0.03 0.00 -0.81 0.00 0.00 59.98 58.46 1afr h ARG 344 Cb 0.57 0.18 0.01 0.00 -0.42 0.00 0.00 29.97 30.31 1afr h ARG 344 CO 0.02 1.26 -0.27 0.00 -1.51 0.00 0.00 179.97 179.48 1afr h ALA 345 N 0.52 -0.75 0.10 2.80 0.00 -1.80 -3.35 119.26 116.78 1afr h ALA 345 Ca -0.10 -0.19 -0.32 0.00 0.00 0.00 0.00 54.91 54.30 1afr h ALA 345 Cb 1.60 0.29 -0.02 0.00 0.00 0.00 0.00 17.79 19.66 1afr h ALA 345 CO 0.19 -0.73 -1.67 -0.22 0.00 0.00 0.00 179.25 176.81 1afr h LYS 346 N -1.13 0.21 -2.36 0.00 3.64 -1.54 -3.40 116.57 112.00 1afr h LYS 346 Ca -0.08 -0.37 -0.73 0.00 -1.27 0.00 0.00 60.65 58.21 1afr h LYS 346 Cb 0.62 0.14 -0.33 0.00 -0.41 0.00 0.00 32.23 32.25 1afr h LYS 346 CO 0.13 1.04 0.39 0.39 -2.27 0.00 0.00 179.45 179.13 1afr n GLU 347 N -3.39 4.45 -4.30 1.90 1.02 -0.94 -5.02 120.64 114.35 1afr n GLU 347 Ca -0.20 -4.71 -0.34 0.00 -0.02 0.00 0.00 57.16 51.88 1afr n GLU 347 Cb 1.05 -2.39 -0.10 0.00 -0.02 0.00 0.00 31.44 29.97 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 -3.71 3.22 0.78 0.62 0.00 -1.25 -4.69 121.76 116.74 1afr s ALA 348 Ca 0.41 -0.80 -0.11 0.00 0.00 0.00 0.00 51.96 51.46 1afr s ALA 348 Cb 0.19 -1.60 0.08 0.00 0.00 0.00 0.00 23.12 21.79 1afr s ALA 348 CO -0.09 0.38 1.14 -1.25 0.00 0.00 0.00 175.76 175.95 1afr s PRO 349 N -0.22 2.01 0.02 0.00 0.04 -1.26 -4.63 135.00 130.96 1afr s PRO 349 Ca 0.05 0.02 -0.06 0.00 0.04 0.00 0.00 61.00 61.06 1afr s PRO 349 Cb -0.12 -2.00 -0.05 0.00 0.04 0.00 0.00 34.50 32.37 1afr s PRO 349 CO 0.02 -1.52 0.26 0.99 0.04 0.00 0.00 177.00 176.80 1afr s THR 350 N -3.50 5.32 -0.07 1.26 2.01 -1.26 -0.46 115.64 118.94 1afr s THR 350 Ca 0.62 0.09 -0.11 0.00 0.31 0.00 0.00 61.69 62.59 1afr s THR 350 Cb -0.11 -3.57 0.02 0.00 0.01 0.00 0.00 72.50 68.86 1afr s THR 350 CO 0.48 0.33 0.27 -0.32 -0.69 0.00 0.00 174.62 174.69 1afr s MET 351 N -1.88 0.44 0.24 4.92 0.00 -0.18 -4.93 119.30 117.91 1afr s MET 351 Ca 0.29 0.15 -0.22 0.00 0.00 0.00 0.00 55.69 55.91 1afr s MET 351 Cb -0.13 0.20 -0.09 0.00 0.00 0.00 0.00 34.83 34.82 1afr s MET 351 CO 0.17 -0.09 0.79 -1.25 0.00 0.00 0.00 175.02 174.65 1afr s PRO 352 N -0.41 4.39 -0.09 4.11 0.04 -1.26 -0.67 135.00 141.10 1afr s PRO 352 Ca -0.05 1.03 0.03 0.00 0.04 0.00 0.00 61.00 62.04 1afr s PRO 352 Cb -0.03 -2.93 0.01 0.00 0.04 0.00 0.00 34.50 31.59 1afr s PRO 352 CO 0.02 0.40 -0.17 -0.06 0.04 0.00 0.00 177.00 177.22 1afr s PHE 353 N -1.48 1.99 0.52 0.56 0.40 -0.72 -4.94 117.98 114.31 1afr s PHE 353 Ca 0.43 -0.83 0.31 0.00 -0.60 0.00 0.00 56.93 56.25 1afr s PHE 353 Cb -0.18 -1.39 1.78 0.00 0.51 0.00 0.00 43.02 43.73 1afr s PHE 353 CO 0.23 -0.38 2.20 0.66 0.70 0.00 0.00 175.22 178.62 1afr h SER 354 N 7.00 0.00 -0.03 1.36 4.64 -1.92 -0.37 113.55 124.23 1afr h SER 354 Ca -0.27 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.06 1afr h SER 354 Cb 1.20 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.29 1afr h SER 354 CO 0.48 0.04 0.02 -0.50 -0.87 0.00 0.00 176.83 176.00 1afr h TRP 355 N 0.00 0.00 -0.78 4.77 6.55 -1.92 -2.41 115.95 122.17 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 0.14 0.00 -0.39 0.00 -0.86 0.00 0.00 29.16 28.05 1afr h TRP 355 CO 0.00 0.00 -0.48 0.44 -1.05 0.00 0.00 178.44 177.35 1afr n ILE 356 N -4.34 2.73 -2.77 1.49 -5.35 -0.25 -0.25 119.36 110.62 1afr n ILE 356 Ca -0.02 -3.94 -0.22 0.00 -0.27 0.00 0.00 62.75 58.30 1afr n ILE 356 Cb 0.12 -1.11 0.02 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 -0.76 -1.58 -1.32 4.28 3.72 -0.91 -1.99 117.46 118.90 1afr n PHE 357 Ca 0.47 0.31 -0.11 0.00 -0.05 0.00 0.00 57.45 58.07 1afr n PHE 357 Cb 0.91 -4.31 -0.05 0.00 -0.94 0.00 0.00 39.48 35.10 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 -2.31 -4.58 -4.77 4.37 8.00 -0.58 -4.97 116.55 111.71 1afr n ASP 358 Ca -0.17 0.27 -0.31 0.00 0.71 0.00 0.00 54.79 55.29 1afr n ASP 358 Cb 0.65 -3.05 0.08 0.00 -0.02 0.00 0.00 41.12 38.79 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 -2.82 2.33 -0.04 -1.24 0.52 -0.84 -4.39 118.95 112.47 1afr s ARG 359 Ca 0.00 1.21 0.03 0.00 -0.52 0.00 0.00 55.73 56.45 1afr s ARG 359 Cb 0.00 -1.90 -0.03 0.00 0.52 0.00 0.00 34.95 33.54 1afr s ARG 359 CO 0.00 -1.59 -0.12 -0.65 0.02 0.00 0.00 175.30 172.96 1afr s GLN 360 N -4.77 2.50 0.15 3.54 -0.21 -1.26 -1.76 119.66 117.86 1afr s GLN 360 Ca 0.62 -0.70 0.07 0.00 0.02 0.00 0.00 55.36 55.37 1afr s GLN 360 Cb -0.18 -2.41 -0.04 0.00 1.00 0.00 0.00 33.01 31.38 1afr s GLN 360 CO 0.54 0.62 -0.16 0.14 -2.12 0.00 0.00 175.29 174.31 1afr s VAL 361 N -0.80 1.58 0.34 1.09 -7.23 0.15 -4.84 120.40 110.69 1afr s VAL 361 Ca 0.13 -1.88 -0.28 0.00 -1.81 0.00 0.00 61.98 58.14 1afr s VAL 361 Cb -0.11 -1.75 -0.09 0.00 0.56 0.00 0.00 36.38 34.99 1afr s VAL 361 CO 0.02 -0.41 1.16 -0.54 -0.31 0.00 0.00 175.10 175.02 1afr s LYS 362 N -2.90 4.37 0.00 4.82 1.02 -1.26 -1.01 119.74 124.77 1afr s LYS 362 Ca 0.14 1.89 0.28 0.00 0.02 0.00 0.00 55.97 58.30 1afr s LYS 362 Cb -0.04 -2.96 1.08 0.00 -0.52 0.00 0.00 37.83 35.39 1afr s LYS 362 CO 0.05 -0.06 1.76 1.28 -0.92 0.00 0.00 175.35 177.46