#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a7l s VAL -4 N 0.00 2.94 0.17 4.08 -7.23 -1.26 -4.89 120.40 114.21 2a7l s VAL -4 Ca 0.00 0.72 -0.33 0.00 -1.81 0.00 0.00 61.98 60.56 2a7l s VAL -4 Cb 0.00 -3.46 -0.14 0.00 0.56 0.00 0.00 36.38 33.34 2a7l s VAL -4 CO 0.00 0.08 1.46 -2.65 -0.31 0.00 0.00 175.10 173.68 2a7l n PRO -3 N 3.31 1.89 -0.31 4.82 -0.02 -1.26 -4.86 135.00 138.57 2a7l n PRO -3 Ca 0.10 0.68 0.01 0.00 -2.02 0.00 0.00 63.50 62.27 2a7l n PRO -3 Cb 0.41 -2.38 0.15 0.00 -0.02 0.00 0.00 33.50 31.66 2a7l n PRO -3 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2a7l h ARG -2 N 5.03 0.93 -0.09 -0.52 3.08 -2.00 -1.81 114.38 119.00 2a7l h ARG -2 Ca -0.45 -0.06 0.03 0.00 0.07 0.00 0.00 59.98 59.57 2a7l h ARG -2 Cb 1.28 -0.21 -0.00 0.00 0.08 0.00 0.00 29.97 31.12 2a7l h ARG -2 CO 0.82 0.62 0.08 0.78 -1.07 0.00 0.00 179.97 181.19 2a7l h GLY -1 N 0.96 0.00 1.39 0.04 0.00 -2.02 -0.81 103.07 102.62 2a7l h GLY -1 Ca 0.38 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.71 2a7l h GLY -1 CO -0.18 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 175.22 2a7l n SER 0 N -4.21 0.00 -0.25 0.19 3.41 -0.68 -1.64 113.62 110.45 2a7l n SER 0 Ca -0.01 -0.04 0.07 0.00 -0.26 0.00 0.00 58.87 58.63 2a7l n SER 0 Cb 0.18 -0.19 -0.02 0.00 -0.26 0.00 0.00 64.21 63.93 2a7l n SER 0 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 2a7l n MET 1 N -1.19 2.01 0.06 4.33 2.00 -0.31 -4.62 117.12 119.39 2a7l n MET 1 Ca 0.07 -0.59 -0.11 0.00 0.00 0.00 0.00 57.70 57.07 2a7l n MET 1 Cb 0.08 -1.18 -0.05 0.00 0.00 0.00 0.00 33.22 32.07 2a7l n MET 1 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2a7l h ALA 2 N 2.27 -0.22 -0.71 3.04 0.00 -1.40 -2.84 119.26 119.40 2a7l h ALA 2 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 54.91 54.55 2a7l h ALA 2 Cb 0.44 0.31 -0.22 0.00 0.00 0.00 0.00 17.79 18.32 2a7l h ALA 2 CO 0.00 -0.67 0.46 -1.13 0.00 0.00 0.00 179.25 177.91 2a7l n SER 3 N -5.31 3.57 -4.49 0.00 3.41 -1.26 -4.92 113.62 104.62 2a7l n SER 3 Ca -0.05 -3.15 -0.33 0.00 -0.26 0.00 0.00 58.87 55.08 2a7l n SER 3 Cb 0.22 -0.74 -0.12 0.00 -0.26 0.00 0.00 64.21 63.31 2a7l n SER 3 CO 0.00 0.00 0.00 -0.32 -0.16 0.00 0.00 175.04 174.56 2a7l s MET 4 N -2.38 3.24 0.26 4.33 0.00 -1.07 -4.83 119.30 118.85 2a7l s MET 4 Ca 0.41 -0.58 -0.30 0.00 0.00 0.00 0.00 55.69 55.22 2a7l s MET 4 Cb 0.34 -2.71 -0.14 0.00 0.00 0.00 0.00 34.83 32.33 2a7l s MET 4 CO 0.08 0.39 1.16 0.94 0.00 0.00 0.00 175.02 177.59 2a7l n GLN 5 N 3.04 1.54 -0.23 4.11 7.27 -1.26 -4.77 117.38 127.08 2a7l n GLN 5 Ca -0.18 0.54 0.03 0.00 0.07 0.00 0.00 57.00 57.47 2a7l n GLN 5 Cb 0.53 -2.03 0.15 0.00 2.41 0.00 0.00 30.24 31.30 2a7l n GLN 5 CO 0.00 0.00 0.00 0.87 0.07 0.00 0.00 177.06 178.00 2a7l h LYS 6 N 2.80 0.32 -0.98 3.69 1.57 -1.98 0.11 116.57 122.10 2a7l h LYS 6 Ca -0.42 -0.02 0.01 0.00 -1.87 0.00 0.00 60.65 58.35 2a7l h LYS 6 Cb 1.32 -0.07 -0.05 0.00 0.08 0.00 0.00 32.23 33.51 2a7l h LYS 6 CO 0.66 0.21 0.65 -0.09 -0.57 0.00 0.00 179.45 180.31 2a7l h ARG 7 N 0.33 1.29 0.00 3.15 2.43 -2.01 -1.75 114.38 117.82 2a7l h ARG 7 Ca 0.37 -0.08 -0.03 0.00 -0.81 0.00 0.00 59.98 59.44 2a7l h ARG 7 Cb 0.57 -0.29 -0.00 0.00 -0.42 0.00 0.00 29.97 29.83 2a7l h ARG 7 CO -0.42 0.85 -0.13 -0.07 -1.51 0.00 0.00 179.97 178.69 2a7l h LEU 8 N 1.32 0.00 -0.20 3.80 3.38 -1.14 -2.48 115.31 119.99 2a7l h LEU 8 Ca 0.36 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.23 2a7l h LEU 8 Cb -0.15 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.60 2a7l h LEU 8 CO -0.08 0.13 -0.27 1.56 0.09 0.00 0.00 178.44 179.87 2a7l h GLN 9 N 0.00 0.53 -0.12 1.13 4.20 -0.72 -0.61 115.11 119.51 2a7l h GLN 9 Ca -0.00 -0.30 -0.02 0.00 0.06 0.00 0.00 58.65 58.38 2a7l h GLN 9 Cb 0.40 0.02 -0.00 0.00 0.30 0.00 0.00 27.48 28.20 2a7l h GLN 9 CO 0.02 0.90 0.00 -0.22 -0.67 0.00 0.00 178.83 178.86 2a7l h LYS 10 N 0.20 0.22 -0.81 1.46 3.64 -1.33 -1.32 116.57 118.62 2a7l h LYS 10 Ca 0.02 -0.07 -0.03 0.00 -1.27 0.00 0.00 60.65 59.31 2a7l h LYS 10 Cb 0.84 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.60 2a7l h LYS 10 CO 0.06 0.46 0.40 0.93 -2.27 0.00 0.00 179.45 179.03 2a7l h GLU 11 N -0.04 1.16 -0.16 1.90 5.08 -1.45 -0.04 114.58 121.03 2a7l h GLU 11 Ca 0.04 -0.16 -0.01 0.00 -1.00 0.00 0.00 59.36 58.22 2a7l h GLU 11 Cb 0.36 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 2a7l h GLU 11 CO 0.01 0.88 0.04 1.25 -1.00 0.00 0.00 179.01 180.19 2a7l h LEU 12 N 1.15 0.23 -1.08 1.33 5.85 -1.01 -2.25 115.31 119.54 2a7l h LEU 12 Ca 0.28 -0.22 -0.03 0.00 0.84 0.00 0.00 57.88 58.75 2a7l h LEU 12 Cb 0.10 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.03 2a7l h LEU 12 CO -0.04 0.39 0.30 -0.07 -0.34 0.00 0.00 178.44 178.68 2a7l h LEU 13 N 0.06 0.86 -1.08 2.25 3.38 -1.05 -0.79 115.31 118.94 2a7l h LEU 13 Ca 0.05 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 2a7l h LEU 13 Cb 0.25 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.74 2a7l h LEU 13 CO -0.00 0.75 0.49 0.00 0.09 0.00 0.00 178.44 179.77 2a7l h ALA 14 N 1.38 1.31 -0.35 1.53 0.00 -0.89 0.69 119.26 122.94 2a7l h ALA 14 Ca 0.23 -0.10 -0.12 0.00 0.00 0.00 0.00 54.91 54.92 2a7l h ALA 14 Cb 0.13 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 2a7l h ALA 14 CO -0.03 0.59 -0.29 -0.07 0.00 0.00 0.00 179.25 179.45 2a7l h LEU 15 N 1.14 0.76 -0.64 0.00 3.38 -0.78 0.12 115.31 119.29 2a7l h LEU 15 Ca 0.30 -0.30 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 2a7l h LEU 15 Cb -0.04 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.48 2a7l h LEU 15 CO -0.05 1.00 0.23 -0.61 0.09 0.00 0.00 178.44 179.09 2a7l h GLN 16 N 0.63 0.98 0.00 1.13 4.15 -0.65 -3.24 115.11 118.11 2a7l h GLN 16 Ca 0.08 -0.20 -0.35 0.00 0.77 0.00 0.00 58.65 58.95 2a7l h GLN 16 Cb 0.80 -0.15 -0.06 0.00 0.21 0.00 0.00 27.48 28.28 2a7l h GLN 16 CO 0.07 0.84 -2.31 0.09 -1.93 0.00 0.00 178.83 175.59 2a7l n ASN 17 N -4.39 1.02 -3.13 -0.69 5.03 0.19 -4.72 115.26 108.57 2a7l n ASN 17 Ca 0.04 -0.05 -0.19 0.00 0.87 0.00 0.00 54.58 55.25 2a7l n ASN 17 Cb 0.19 0.48 -0.03 0.00 -1.02 0.00 0.00 39.78 39.40 2a7l n ASN 17 CO 0.00 0.00 0.00 -0.67 -1.83 0.00 0.00 177.26 174.76 2a7l n ASP 18 N -2.87 0.06 -4.77 6.41 2.03 0.43 -5.07 116.55 112.77 2a7l n ASP 18 Ca -0.35 -2.93 -0.33 0.00 0.52 0.00 0.00 54.79 51.70 2a7l n ASP 18 Cb 1.05 -0.29 0.05 0.00 -0.72 0.00 0.00 41.12 41.21 2a7l n ASP 18 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 2a7l s PRO 19 N -1.47 2.72 0.87 -0.67 0.04 -1.20 -4.66 135.00 130.62 2a7l s PRO 19 Ca 0.36 1.42 -0.11 0.00 0.04 0.00 0.00 61.00 62.71 2a7l s PRO 19 Cb 0.26 -1.94 0.11 0.00 0.04 0.00 0.00 34.50 32.97 2a7l s PRO 19 CO -0.10 -1.32 1.10 -1.25 0.04 0.00 0.00 177.00 175.47 2a7l s PRO 20 N -4.10 1.49 0.23 0.56 0.04 -1.26 -4.89 135.00 127.06 2a7l s PRO 20 Ca 0.67 1.11 -0.31 0.00 0.04 0.00 0.00 61.00 62.52 2a7l s PRO 20 Cb -0.21 -1.81 -0.14 0.00 0.04 0.00 0.00 34.50 32.37 2a7l s PRO 20 CO 0.42 -2.16 1.26 -2.30 0.04 0.00 0.00 177.00 174.26 2a7l n PRO 21 N -3.87 1.64 -0.99 0.56 -0.02 -1.26 -1.88 135.00 129.18 2a7l n PRO 21 Ca 0.09 0.58 0.00 0.00 -2.02 0.00 0.00 63.50 62.15 2a7l n PRO 21 Cb 0.54 -2.14 0.00 0.00 -0.02 0.00 0.00 33.50 31.87 2a7l n PRO 21 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2a7l n GLY 22 N 1.91 0.94 3.34 -1.23 0.00 -1.26 -5.01 105.19 103.88 2a7l n GLY 22 Ca 0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.84 2a7l n GLY 22 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2a7l s MET 23 N -0.01 1.96 -0.04 1.61 -1.94 -0.79 -5.12 119.30 114.98 2a7l s MET 23 Ca 0.00 -1.02 -0.00 0.00 -1.71 0.00 0.00 55.69 52.96 2a7l s MET 23 Cb 0.00 -2.02 0.03 0.00 2.01 0.00 0.00 34.83 34.84 2a7l s MET 23 CO 0.00 0.54 0.00 0.99 -0.01 0.00 0.00 175.02 176.54 2a7l s THR 24 N -0.72 0.23 0.21 2.05 2.01 -1.26 -4.63 115.64 113.53 2a7l s THR 24 Ca 0.11 0.10 -0.32 0.00 0.31 0.00 0.00 61.69 61.89 2a7l s THR 24 Cb -0.10 -0.35 -0.13 0.00 0.01 0.00 0.00 72.50 71.93 2a7l s THR 24 CO 0.01 0.18 1.58 -0.11 -0.69 0.00 0.00 174.62 175.59 2a7l n LEU 25 N 4.45 3.54 -4.52 4.42 7.94 -1.26 -4.93 117.00 126.63 2a7l n LEU 25 Ca -0.20 1.10 -0.42 0.00 -1.11 0.00 0.00 56.01 55.39 2a7l n LEU 25 Cb 0.50 -1.49 -0.03 0.00 0.53 0.00 0.00 43.42 42.93 2a7l n LEU 25 CO 0.18 -0.14 1.06 0.21 -1.11 0.00 0.00 177.39 177.59 2a7l s ASN 26 N 0.75 6.18 0.13 1.96 3.84 -1.26 -4.89 114.94 121.65 2a7l s ASN 26 Ca 0.73 -0.67 0.18 0.00 0.21 0.00 0.00 52.86 53.31 2a7l s ASN 26 Cb -0.60 -2.52 0.78 0.00 -0.55 0.00 0.00 41.25 38.36 2a7l s ASN 26 CO 0.41 -1.70 1.56 -1.84 -2.79 0.00 0.00 177.10 172.75 2a7l n GLU 27 N 8.83 0.09 0.00 0.43 0.00 -1.26 -1.31 120.64 127.43 2a7l n GLU 27 Ca 0.03 0.35 0.13 0.00 0.00 0.00 0.00 57.16 57.67 2a7l n GLU 27 Cb 0.48 -1.69 0.34 0.00 0.00 0.00 0.00 31.44 30.58 2a7l n GLU 27 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 2a7l n LYS 28 N -1.86 1.72 0.00 3.44 5.02 -1.26 -4.38 118.16 120.84 2a7l n LYS 28 Ca 0.03 -1.19 0.12 0.00 -2.02 0.00 0.00 58.31 55.25 2a7l n LYS 28 Cb 0.18 -1.48 0.23 0.00 -0.02 0.00 0.00 35.03 33.95 2a7l n LYS 28 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 2a7l n SER 29 N 0.40 1.27 -4.70 4.39 3.41 -0.43 -4.95 113.62 113.01 2a7l n SER 29 Ca 0.16 -1.02 -0.42 0.00 -0.26 0.00 0.00 58.87 57.32 2a7l n SER 29 Cb 0.43 0.29 -0.03 0.00 -0.26 0.00 0.00 64.21 64.64 2a7l n SER 29 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2a7l s VAL 30 N -2.56 4.17 0.00 -3.33 1.01 -1.26 -5.02 120.40 113.42 2a7l s VAL 30 Ca 0.21 1.53 0.02 0.00 0.00 0.00 0.00 61.98 63.74 2a7l s VAL 30 Cb 0.19 -3.99 -0.01 0.00 0.00 0.00 0.00 36.38 32.57 2a7l s VAL 30 CO 0.57 0.06 -0.06 -1.10 0.00 0.00 0.00 175.10 174.57 2a7l s GLN 31 N 1.62 0.47 0.38 2.72 -0.21 -1.26 -5.04 119.66 118.34 2a7l s GLN 31 Ca 0.57 -0.29 0.08 0.00 0.02 0.00 0.00 55.36 55.75 2a7l s GLN 31 Cb -0.27 -0.42 -0.07 0.00 1.00 0.00 0.00 33.01 33.25 2a7l s GLN 31 CO 0.26 0.11 -0.03 -0.80 -2.12 0.00 0.00 175.29 172.71 2a7l s ASN 32 N -0.35 3.84 -1.46 5.90 0.01 -1.26 -4.84 114.94 116.78 2a7l s ASN 32 Ca 0.00 -1.28 -0.09 0.00 -0.71 0.00 0.00 52.86 50.79 2a7l s ASN 32 Cb -0.03 -0.39 0.03 0.00 0.41 0.00 0.00 41.25 41.27 2a7l s ASN 32 CO -0.00 -0.34 0.86 -1.20 -1.51 0.00 0.00 177.10 174.91 2a7l n SER 33 N -0.90 -5.68 -4.73 -1.22 7.64 -1.26 -4.08 113.62 103.39 2a7l n SER 33 Ca -0.05 -0.48 -0.41 0.00 1.01 0.00 0.00 58.87 58.94 2a7l n SER 33 Cb 0.65 -4.54 -0.04 0.00 -1.01 0.00 0.00 64.21 59.27 2a7l n SER 33 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2a7l s ILE 34 N -3.22 4.25 -0.07 0.44 1.01 -1.26 -3.74 121.20 118.61 2a7l s ILE 34 Ca 0.49 1.94 0.00 0.00 0.00 0.00 0.00 60.65 63.08 2a7l s ILE 34 Cb -0.23 -4.24 -0.03 0.00 0.01 0.00 0.00 42.46 37.98 2a7l s ILE 34 CO 0.60 0.33 -0.05 -0.89 0.00 0.00 0.00 174.94 174.93 2a7l s THR 35 N -0.25 3.86 0.09 2.92 2.01 -0.69 -4.97 115.64 118.62 2a7l s THR 35 Ca 0.47 -0.44 -0.07 0.00 0.31 0.00 0.00 61.69 61.96 2a7l s THR 35 Cb -0.26 -2.60 -0.01 0.00 0.01 0.00 0.00 72.50 69.65 2a7l s THR 35 CO 0.32 0.59 0.15 0.00 -0.69 0.00 0.00 174.62 174.99 2a7l s GLN 36 N -0.87 0.84 0.26 4.92 -2.07 -1.26 -0.18 119.66 121.31 2a7l s GLN 36 Ca 0.13 -1.06 -0.22 0.00 -1.82 0.00 0.00 55.36 52.39 2a7l s GLN 36 Cb -0.11 0.32 0.03 0.00 -1.09 0.00 0.00 33.01 32.15 2a7l s GLN 36 CO 0.02 -0.26 0.76 1.67 -1.32 0.00 0.00 175.29 176.16 2a7l s TRP 37 N -3.90 -0.17 -0.07 9.60 -2.14 -0.79 -5.01 118.94 116.45 2a7l s TRP 37 Ca 0.08 -0.27 0.04 0.00 2.66 0.00 0.00 56.10 58.61 2a7l s TRP 37 Cb 0.05 0.70 -0.01 0.00 -3.10 0.00 0.00 33.47 31.11 2a7l s TRP 37 CO -0.09 -1.18 -0.20 0.42 -2.66 0.00 0.00 176.95 173.24 2a7l s ILE 38 N -3.79 2.52 -0.17 0.66 1.01 -1.26 -0.95 121.20 119.22 2a7l s ILE 38 Ca 0.11 -0.89 -0.02 0.00 0.00 0.00 0.00 60.65 59.85 2a7l s ILE 38 Cb -0.05 -1.97 -0.02 0.00 0.01 0.00 0.00 42.46 40.43 2a7l s ILE 38 CO 0.06 0.56 -0.08 -0.69 0.00 0.00 0.00 174.94 174.80 2a7l s VAL 39 N -0.16 3.38 0.10 2.92 1.01 0.92 -4.96 120.40 123.61 2a7l s VAL 39 Ca -0.02 -0.53 -0.26 0.00 0.00 0.00 0.00 61.98 61.17 2a7l s VAL 39 Cb -0.14 -2.47 -0.06 0.00 0.00 0.00 0.00 36.38 33.71 2a7l s VAL 39 CO 0.04 0.48 0.82 -1.81 0.00 0.00 0.00 175.10 174.63 2a7l s ASP 40 N 0.71 7.35 -0.07 3.32 1.01 -1.26 -0.26 116.67 127.46 2a7l s ASP 40 Ca -0.04 1.60 0.02 0.00 0.71 0.00 0.00 52.55 54.84 2a7l s ASP 40 Cb -0.15 -2.51 0.02 0.00 1.01 0.00 0.00 42.92 41.29 2a7l s ASP 40 CO 0.02 0.05 -0.11 -0.32 0.21 0.00 0.00 175.17 175.02 2a7l s MET 41 N -0.38 1.68 -0.17 8.23 -2.45 -0.19 -4.95 119.30 121.07 2a7l s MET 41 Ca 0.40 -0.39 -0.09 0.00 -1.25 0.00 0.00 55.69 54.36 2a7l s MET 41 Cb -0.22 -1.44 -0.05 0.00 1.25 0.00 0.00 34.83 34.37 2a7l s MET 41 CO 0.26 -0.03 0.12 -1.21 1.05 0.00 0.00 175.02 175.21 2a7l s GLU 42 N 0.85 3.92 0.29 4.11 2.02 -1.26 -0.08 118.70 128.55 2a7l s GLU 42 Ca -0.11 -0.22 -0.30 0.00 0.02 0.00 0.00 54.97 54.36 2a7l s GLU 42 Cb -0.15 -3.31 -0.13 0.00 0.10 0.00 0.00 34.13 30.64 2a7l s GLU 42 CO 0.01 0.44 1.43 0.41 0.02 0.00 0.00 175.26 177.57 2a7l n GLY 43 N 3.06 0.90 3.77 -1.39 0.00 -0.25 -4.96 105.19 106.32 2a7l n GLY 43 Ca -0.17 0.43 -0.38 0.00 0.00 0.00 0.00 46.02 45.90 2a7l n GLY 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2a7l s ALA 44 N -0.36 3.24 0.31 4.61 0.00 -1.26 -3.80 121.76 124.50 2a7l s ALA 44 Ca 0.63 0.70 -0.28 0.00 0.00 0.00 0.00 51.96 53.01 2a7l s ALA 44 Cb -0.58 -3.26 -0.13 0.00 0.00 0.00 0.00 23.12 19.15 2a7l s ALA 44 CO 0.53 -0.04 1.13 -2.30 0.00 0.00 0.00 175.76 175.08 2a7l n PRO 45 N 0.67 1.69 -1.00 0.00 -0.02 -1.26 -2.34 135.00 132.73 2a7l n PRO 45 Ca 0.01 0.59 0.00 0.00 -2.02 0.00 0.00 63.50 62.09 2a7l n PRO 45 Cb 0.48 -2.06 0.00 0.00 -0.02 0.00 0.00 33.50 31.90 2a7l n PRO 45 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2a7l n GLY 46 N 1.02 0.95 3.92 -1.23 0.00 -1.26 -4.98 105.19 103.60 2a7l n GLY 46 Ca 0.07 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.90 2a7l n GLY 46 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2a7l s THR 47 N -3.78 2.91 -0.49 2.61 -4.23 -0.99 -4.99 115.64 106.68 2a7l s THR 47 Ca 0.00 -1.24 0.14 0.00 -1.18 0.00 0.00 61.69 59.42 2a7l s THR 47 Cb 0.00 -3.04 0.14 0.00 1.34 0.00 0.00 72.50 70.95 2a7l s THR 47 CO 0.00 -0.03 1.44 0.18 -0.54 0.00 0.00 174.62 175.67 2a7l n LEU 48 N -1.62 0.37 -0.83 4.79 4.77 -1.26 -2.24 117.00 120.98 2a7l n LEU 48 Ca 0.04 0.67 0.07 0.00 -0.03 0.00 0.00 56.01 56.76 2a7l n LEU 48 Cb 0.61 -0.71 0.19 0.00 -2.33 0.00 0.00 43.42 41.18 2a7l n LEU 48 CO 0.41 -0.78 0.66 -1.22 -1.33 0.00 0.00 177.39 175.14 2a7l n TYR 49 N -1.99 0.58 -1.62 -1.77 4.01 -1.26 -5.02 117.16 110.08 2a7l n TYR 49 Ca -0.01 -0.47 -0.48 0.00 -0.16 0.00 0.00 57.90 56.79 2a7l n TYR 49 Cb 0.03 -0.02 -0.04 0.00 -0.31 0.00 0.00 39.34 39.01 2a7l n TYR 49 CO 0.00 0.00 0.00 -1.91 -0.46 0.00 0.00 176.86 174.49 2a7l n GLU 50 N 0.84 1.56 -0.31 -0.72 2.13 -0.95 -1.15 120.64 122.04 2a7l n GLU 50 Ca 0.15 0.56 0.00 0.00 0.66 0.00 0.00 57.16 58.53 2a7l n GLU 50 Cb 0.48 -2.16 0.00 0.00 0.27 0.00 0.00 31.44 30.03 2a7l n GLU 50 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2a7l n GLY 51 N 2.29 2.27 3.78 8.31 0.00 -1.25 -4.97 105.19 115.62 2a7l n GLY 51 Ca 0.15 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.79 2a7l n GLY 51 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2a7l s GLU 52 N -0.01 4.63 -0.25 1.61 0.41 -0.30 -4.91 118.70 119.88 2a7l s GLU 52 Ca 0.00 1.32 -0.04 0.00 -0.41 0.00 0.00 54.97 55.84 2a7l s GLU 52 Cb 0.00 -2.96 0.00 0.00 -1.78 0.00 0.00 34.13 29.40 2a7l s GLU 52 CO 0.00 0.37 -0.02 0.15 -0.49 0.00 0.00 175.26 175.27 2a7l s LYS 53 N -1.77 3.17 0.35 1.61 1.02 -1.26 -1.10 119.74 121.76 2a7l s LYS 53 Ca 0.46 -0.77 0.08 0.00 0.02 0.00 0.00 55.97 55.77 2a7l s LYS 53 Cb -0.21 -3.10 -0.04 0.00 -0.52 0.00 0.00 37.83 33.96 2a7l s LYS 53 CO 0.26 -0.31 0.12 -0.06 -0.92 0.00 0.00 175.35 174.44 2a7l s PHE 54 N 1.45 2.67 -0.04 3.18 0.08 0.89 -4.78 117.98 121.42 2a7l s PHE 54 Ca 0.04 -0.41 0.03 0.00 0.12 0.00 0.00 56.93 56.71 2a7l s PHE 54 Cb -0.16 -1.65 0.00 0.00 -0.57 0.00 0.00 43.02 40.65 2a7l s PHE 54 CO -0.02 0.34 -0.13 -0.65 -0.10 0.00 0.00 175.22 174.66 2a7l s GLN 55 N -3.83 1.50 -0.19 0.44 -0.21 -1.26 -1.02 119.66 115.09 2a7l s GLN 55 Ca 0.38 -0.46 -0.02 0.00 0.02 0.00 0.00 55.36 55.27 2a7l s GLN 55 Cb -0.01 -1.31 -0.00 0.00 1.00 0.00 0.00 33.01 32.68 2a7l s GLN 55 CO 0.22 0.15 -0.09 -0.51 -2.12 0.00 0.00 175.29 172.94 2a7l s LEU 56 N 0.25 2.71 -0.24 2.90 1.43 0.64 -0.28 118.68 126.10 2a7l s LEU 56 Ca -0.06 -0.43 -0.15 0.00 -1.03 0.00 0.00 54.13 52.46 2a7l s LEU 56 Cb -0.12 -1.66 -0.04 0.00 0.03 0.00 0.00 46.19 44.40 2a7l s LEU 56 CO 0.02 0.02 0.37 -0.22 0.23 0.00 0.00 176.35 176.77 2a7l s LEU 57 N 1.22 4.09 -0.19 1.79 2.96 0.69 -0.06 118.68 129.19 2a7l s LEU 57 Ca 0.02 0.38 -0.08 0.00 -0.22 0.00 0.00 54.13 54.24 2a7l s LEU 57 Cb -0.14 -2.45 -0.04 0.00 0.50 0.00 0.00 46.19 44.06 2a7l s LEU 57 CO -0.03 -0.12 0.07 -0.36 -1.32 0.00 0.00 176.35 174.58 2a7l s PHE 58 N 1.69 3.26 -0.06 5.38 0.08 -0.13 -1.91 117.98 126.29 2a7l s PHE 58 Ca 0.16 0.08 0.02 0.00 0.12 0.00 0.00 56.93 57.31 2a7l s PHE 58 Cb -0.15 -2.09 0.02 0.00 -0.57 0.00 0.00 43.02 40.23 2a7l s PHE 58 CO 0.09 0.15 -0.09 0.21 -0.10 0.00 0.00 175.22 175.47 2a7l s LYS 59 N 0.40 1.39 -0.17 0.44 2.20 0.49 -1.88 119.74 122.61 2a7l s LYS 59 Ca 0.03 -0.30 0.01 0.00 -0.36 0.00 0.00 55.97 55.35 2a7l s LYS 59 Cb -0.12 -1.21 0.01 0.00 -1.51 0.00 0.00 37.83 35.00 2a7l s LYS 59 CO 0.00 -0.02 -0.19 -0.06 -0.36 0.00 0.00 175.35 174.72 2a7l s PHE 60 N 0.78 2.77 0.86 4.03 0.08 0.75 -0.42 117.98 126.84 2a7l s PHE 60 Ca -0.13 -1.50 -0.12 0.00 0.12 0.00 0.00 56.93 55.30 2a7l s PHE 60 Cb -0.15 -1.91 0.11 0.00 -0.57 0.00 0.00 43.02 40.49 2a7l s PHE 60 CO 0.02 -0.73 1.16 -1.54 -0.10 0.00 0.00 175.22 174.03 2a7l s SER 61 N 1.18 4.01 0.25 1.36 1.04 -1.26 -1.70 113.70 118.58 2a7l s SER 61 Ca 0.02 0.86 0.19 0.00 0.48 0.00 0.00 55.95 57.50 2a7l s SER 61 Cb -0.14 -1.39 0.95 0.00 0.10 0.00 0.00 66.02 65.55 2a7l s SER 61 CO -0.09 -2.23 1.58 -1.54 0.98 0.00 0.00 173.24 171.94 2a7l n SER 62 N -3.54 0.49 -0.83 7.02 3.41 -1.25 -1.51 113.62 117.41 2a7l n SER 62 Ca 0.07 0.70 0.12 0.00 -0.26 0.00 0.00 58.87 59.50 2a7l n SER 62 Cb 0.60 -0.77 0.18 0.00 -0.26 0.00 0.00 64.21 63.96 2a7l n SER 62 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2a7l n ARG 63 N -2.12 2.12 -1.97 4.33 1.74 -1.26 -4.94 116.66 114.55 2a7l n ARG 63 Ca -0.00 -1.68 -0.40 0.00 -0.77 0.00 0.00 57.85 55.00 2a7l n ARG 63 Cb 0.08 -1.47 -0.00 0.00 -1.02 0.00 0.00 32.46 30.05 2a7l n ARG 63 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 2a7l s TYR 64 N -2.03 2.73 -2.38 -1.55 5.04 -0.57 -1.18 117.35 117.40 2a7l s TYR 64 Ca 0.29 1.35 0.28 0.00 -2.44 0.00 0.00 57.07 56.56 2a7l s TYR 64 Cb 0.20 -3.76 1.02 0.00 0.35 0.00 0.00 41.96 39.77 2a7l s TYR 64 CO 0.32 -2.36 1.73 -0.35 -1.34 0.00 0.00 175.55 173.56 2a7l n PRO 65 N 0.13 1.54 -0.06 4.97 -0.04 -1.26 -4.85 135.00 135.42 2a7l n PRO 65 Ca 0.04 -0.88 -0.10 0.00 -0.04 0.00 0.00 63.50 62.51 2a7l n PRO 65 Cb 0.43 -1.48 -0.04 0.00 -0.04 0.00 0.00 33.50 32.37 2a7l n PRO 65 CO 0.00 0.00 0.00 0.35 -0.04 0.00 0.00 175.50 175.81 2a7l h PHE 66 N 2.15 0.30 -3.37 0.54 3.57 -1.76 -3.30 116.94 115.07 2a7l h PHE 66 Ca 0.00 -0.01 -0.53 0.00 3.53 0.00 0.00 57.97 60.96 2a7l h PHE 66 Cb 0.49 -0.09 -0.00 0.00 2.79 0.00 0.00 35.95 39.14 2a7l h PHE 66 CO 0.00 0.28 0.48 0.34 -2.23 0.00 0.00 178.31 177.18 2a7l s ASP 67 N -5.52 7.23 0.59 0.41 2.15 -0.33 -4.69 116.67 116.52 2a7l s ASP 67 Ca -0.13 1.94 -0.20 0.00 0.43 0.00 0.00 52.55 54.58 2a7l s ASP 67 Cb 0.08 -2.58 -0.03 0.00 -0.30 0.00 0.00 42.92 40.08 2a7l s ASP 67 CO 0.70 -0.33 1.28 -1.54 -0.17 0.00 0.00 175.17 175.11 2a7l n SER 68 N 3.43 2.18 -4.80 -0.34 3.41 -1.26 -4.15 113.62 112.10 2a7l n SER 68 Ca 0.06 0.90 -0.33 0.00 -0.26 0.00 0.00 58.87 59.24 2a7l n SER 68 Cb 0.48 -1.54 0.01 0.00 -0.26 0.00 0.00 64.21 62.89 2a7l n SER 68 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 2a7l s PRO 69 N -3.05 3.37 -0.32 4.33 0.04 -1.26 -4.76 135.00 133.34 2a7l s PRO 69 Ca 0.77 1.25 -0.17 0.00 0.04 0.00 0.00 61.00 62.89 2a7l s PRO 69 Cb -0.40 -2.04 -0.02 0.00 0.04 0.00 0.00 34.50 32.08 2a7l s PRO 69 CO 0.45 -0.78 0.45 -1.14 0.04 0.00 0.00 177.00 176.03 2a7l s GLN 70 N -3.92 3.76 -0.07 4.56 2.00 0.44 -4.94 119.66 121.49 2a7l s GLN 70 Ca 0.65 -0.10 0.04 0.00 -2.00 0.00 0.00 55.36 53.95 2a7l s GLN 70 Cb -0.17 -3.75 0.00 0.00 0.80 0.00 0.00 33.01 29.90 2a7l s GLN 70 CO 0.34 -0.49 -0.18 0.08 -0.50 0.00 0.00 175.29 174.54 2a7l s VAL 71 N 2.23 1.55 0.06 1.34 1.01 -1.26 -0.38 120.40 124.96 2a7l s VAL 71 Ca 0.17 -0.75 -0.17 0.00 0.00 0.00 0.00 61.98 61.23 2a7l s VAL 71 Cb -0.16 -1.36 0.03 0.00 0.00 0.00 0.00 36.38 34.90 2a7l s VAL 71 CO 0.12 0.45 0.38 0.00 0.00 0.00 0.00 175.10 176.04 2a7l s MET 72 N 0.31 0.92 0.31 2.72 0.23 -0.80 -4.27 119.30 118.72 2a7l s MET 72 Ca -0.12 -0.47 -0.27 0.00 -1.03 0.00 0.00 55.69 53.80 2a7l s MET 72 Cb -0.15 0.41 -0.09 0.00 -1.53 0.00 0.00 34.83 33.46 2a7l s MET 72 CO 0.05 -0.32 0.99 -0.06 -2.03 0.00 0.00 175.02 173.65 2a7l s PHE 73 N -2.77 3.65 0.30 3.16 0.08 -0.35 -0.22 117.98 121.83 2a7l s PHE 73 Ca -0.03 1.77 0.03 0.00 0.12 0.00 0.00 56.93 58.81 2a7l s PHE 73 Cb -0.00 -3.05 -0.05 0.00 -0.57 0.00 0.00 43.02 39.35 2a7l s PHE 73 CO -0.05 -0.05 0.10 -0.08 -0.10 0.00 0.00 175.22 175.05 2a7l s THR 74 N -1.44 0.67 0.00 0.64 -1.32 0.62 -4.37 115.64 110.44 2a7l s THR 74 Ca 0.49 -2.00 0.00 0.00 -1.21 0.00 0.00 61.69 58.97 2a7l s THR 74 Cb -0.23 -2.62 0.00 0.00 -1.51 0.00 0.00 72.50 68.14 2a7l s THR 74 CO 0.30 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.32 2a7l n GLY 75 N -0.59 -1.79 0.19 6.08 0.00 -1.26 -4.18 105.19 103.64 2a7l n GLY 75 Ca -0.01 -1.53 0.09 0.00 0.00 0.00 0.00 46.02 44.57 2a7l n GLY 75 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2a7l h GLU 76 N 0.00 0.00 -4.45 1.61 5.08 -1.99 -3.40 114.58 111.42 2a7l h GLU 76 Ca 0.00 0.00 -0.68 0.00 -1.00 0.00 0.00 59.36 57.68 2a7l h GLU 76 Cb 0.00 0.00 -0.36 0.00 0.50 0.00 0.00 28.75 28.89 2a7l h GLU 76 CO 0.00 0.18 -0.59 1.21 -1.00 0.00 0.00 179.01 178.81 2a7l s ASN 77 N -6.29 5.09 -0.16 1.42 2.47 -1.26 -5.08 114.94 111.12 2a7l s ASN 77 Ca 0.06 -2.15 -0.06 0.00 0.42 0.00 0.00 52.86 51.13 2a7l s ASN 77 Cb 0.06 -1.77 -0.04 0.00 -1.45 0.00 0.00 41.25 38.05 2a7l s ASN 77 CO 0.69 -0.48 0.03 -0.63 -3.72 0.00 0.00 177.10 173.00 2a7l s ILE 78 N 0.95 4.50 0.35 -5.21 1.01 -1.26 -4.50 121.20 117.04 2a7l s ILE 78 Ca 0.10 -0.15 -0.27 0.00 0.00 0.00 0.00 60.65 60.33 2a7l s ILE 78 Cb -0.22 -2.99 -0.12 0.00 0.01 0.00 0.00 42.46 39.14 2a7l s ILE 78 CO -0.05 0.50 1.22 -2.65 0.00 0.00 0.00 174.94 173.96 2a7l n PRO 79 N 3.25 1.91 -3.03 2.79 -0.02 -1.26 -4.94 135.00 133.69 2a7l n PRO 79 Ca -0.17 0.67 -0.43 0.00 -2.02 0.00 0.00 63.50 61.55 2a7l n PRO 79 Cb 0.53 -2.24 -0.06 0.00 -0.02 0.00 0.00 33.50 31.72 2a7l n PRO 79 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2a7l s VAL 80 N -1.12 4.69 -0.27 -1.45 1.01 -1.26 -4.85 120.40 117.14 2a7l s VAL 80 Ca 0.57 -0.13 -0.24 0.00 0.00 0.00 0.00 61.98 62.19 2a7l s VAL 80 Cb -0.58 -4.38 0.07 0.00 0.00 0.00 0.00 36.38 31.49 2a7l s VAL 80 CO 0.61 -0.89 0.71 -2.28 0.00 0.00 0.00 175.10 173.24 2a7l s HIS 81 N 3.15 -0.80 0.43 5.22 5.04 -1.26 -5.05 115.29 122.03 2a7l s HIS 81 Ca 0.22 1.92 0.25 0.00 -1.54 0.00 0.00 55.06 55.90 2a7l s HIS 81 Cb -0.16 0.29 1.26 0.00 0.04 0.00 0.00 32.58 34.01 2a7l s HIS 81 CO 0.16 -0.38 1.74 -1.35 -2.34 0.00 0.00 174.74 172.56 2a7l h PRO 82 N 5.15 0.24 -0.22 2.88 0.11 -1.99 -0.53 132.00 137.63 2a7l h PRO 82 Ca -0.29 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.81 2a7l h PRO 82 Cb 1.17 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.22 2a7l h PRO 82 CO 0.06 0.16 0.00 0.72 -0.21 0.00 0.00 178.00 178.73 2a7l n HIS 83 N -4.56 0.28 -4.53 0.65 8.25 -1.26 -4.74 115.22 109.32 2a7l n HIS 83 Ca 0.28 -0.14 -0.33 0.00 -0.26 0.00 0.00 57.72 57.28 2a7l n HIS 83 Cb 1.08 0.00 -0.16 0.00 1.12 0.00 0.00 29.99 32.03 2a7l n HIS 83 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2a7l s VAL 84 N -1.72 2.17 0.71 1.59 1.01 -0.21 0.06 120.40 124.02 2a7l s VAL 84 Ca 0.32 -0.93 -0.11 0.00 0.00 0.00 0.00 61.98 61.26 2a7l s VAL 84 Cb 0.18 -1.89 0.01 0.00 0.00 0.00 0.00 36.38 34.68 2a7l s VAL 84 CO 0.26 0.54 1.09 -0.31 0.00 0.00 0.00 175.10 176.68 2a7l s TYR 85 N 0.92 3.29 0.51 5.22 2.02 -0.36 -4.44 117.35 124.50 2a7l s TYR 85 Ca -0.04 1.10 0.19 0.00 -0.37 0.00 0.00 57.07 57.95 2a7l s TYR 85 Cb -0.15 -3.03 1.33 0.00 -0.40 0.00 0.00 41.96 39.71 2a7l s TYR 85 CO -0.04 -1.20 2.13 0.77 -1.57 0.00 0.00 175.55 175.64 2a7l h SER 86 N -0.67 0.00 0.37 2.29 0.02 -1.93 -0.09 113.55 113.53 2a7l h SER 86 Ca -0.45 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.50 2a7l h SER 86 Cb 1.25 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.79 2a7l h SER 86 CO 0.63 0.06 0.00 -0.46 -1.14 0.00 0.00 176.83 175.91 2a7l n ASN 87 N -4.28 0.00 0.00 3.07 0.23 -1.26 -4.89 115.26 108.13 2a7l n ASN 87 Ca -0.03 -0.28 0.00 0.00 -0.53 0.00 0.00 54.58 53.74 2a7l n ASN 87 Cb 0.14 -0.21 0.00 0.00 -2.08 0.00 0.00 39.78 37.62 2a7l n ASN 87 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2a7l n GLY 88 N 0.89 0.35 3.77 4.83 0.00 -0.05 -4.88 105.19 110.10 2a7l n GLY 88 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 2a7l n GLY 88 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2a7l s HIS 89 N -2.12 2.61 -0.20 1.61 5.04 -1.26 -1.21 115.29 119.77 2a7l s HIS 89 Ca 0.00 1.04 -0.05 0.00 -1.54 0.00 0.00 55.06 54.51 2a7l s HIS 89 Cb 0.00 -4.06 -0.03 0.00 0.04 0.00 0.00 32.58 28.54 2a7l s HIS 89 CO 0.00 -3.24 0.00 0.42 -2.34 0.00 0.00 174.74 169.59 2a7l s ILE 90 N -0.79 4.00 -0.98 0.89 1.01 -1.26 -1.23 121.20 122.84 2a7l s ILE 90 Ca 0.56 -0.30 -0.14 0.00 0.00 0.00 0.00 60.65 60.77 2a7l s ILE 90 Cb -0.47 -2.81 0.20 0.00 0.01 0.00 0.00 42.46 39.39 2a7l s ILE 90 CO 0.59 0.43 1.05 0.00 0.00 0.00 0.00 174.94 177.01 2a7l s LEU 92 N 0.67 1.86 0.36 0.00 1.43 -1.26 -4.85 118.68 116.89 2a7l s LEU 92 Ca 0.29 -0.15 0.08 0.00 -1.03 0.00 0.00 54.13 53.32 2a7l s LEU 92 Cb -0.08 -0.43 0.68 0.00 0.03 0.00 0.00 46.19 46.39 2a7l s LEU 92 CO -0.07 0.07 1.86 0.77 0.23 0.00 0.00 176.35 179.20 2a7l h SER 93 N 6.23 0.28 -0.55 2.29 4.64 -1.98 -2.07 113.55 122.39 2a7l h SER 93 Ca -0.32 -0.07 0.16 0.00 -0.47 0.00 0.00 61.79 61.09 2a7l h SER 93 Cb 1.18 -0.07 -0.02 0.00 -0.31 0.00 0.00 62.40 63.17 2a7l h SER 93 CO 0.49 0.47 0.53 -0.29 -0.87 0.00 0.00 176.83 177.17 2a7l h ILE 94 N 0.27 0.39 0.00 0.95 2.10 -1.96 0.14 117.51 119.41 2a7l h ILE 94 Ca 0.05 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.99 2a7l h ILE 94 Cb 0.46 0.59 0.00 0.00 -1.09 0.00 0.00 36.82 36.78 2a7l h ILE 94 CO 0.03 0.00 -0.58 0.18 -1.08 0.00 0.00 178.15 176.70 2a7l n LEU 95 N -3.81 0.62 0.00 2.19 4.77 -0.78 -3.04 117.00 116.94 2a7l n LEU 95 Ca 0.11 0.17 0.00 0.00 -0.03 0.00 0.00 56.01 56.26 2a7l n LEU 95 Cb 0.74 -0.21 0.00 0.00 -2.33 0.00 0.00 43.42 41.62 2a7l n LEU 95 CO 0.30 -0.00 0.00 0.35 -1.33 0.00 0.00 177.39 176.70 2a7l n THR 96 N -1.92 0.00 -0.16 -5.08 -2.24 0.35 -4.84 114.28 100.39 2a7l n THR 96 Ca 0.04 0.00 0.02 0.00 -2.27 0.00 0.00 64.05 61.84 2a7l n THR 96 Cb 0.41 0.00 0.29 0.00 -2.10 0.00 0.00 70.33 68.93 2a7l n THR 96 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 2a7l h GLU 97 N 0.00 0.87 -0.68 -0.78 5.08 -1.79 -2.87 114.58 114.40 2a7l h GLU 97 Ca 0.00 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 2a7l h GLU 97 Cb 0.00 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.05 2a7l h GLU 97 CO 0.00 0.57 0.00 -0.25 -1.00 0.00 0.00 179.01 178.33 2a7l n ASP 98 N -4.44 3.82 -4.76 1.42 8.00 -0.27 -4.95 116.55 115.36 2a7l n ASP 98 Ca 0.07 -2.00 -0.39 0.00 0.71 0.00 0.00 54.79 53.18 2a7l n ASP 98 Cb 0.05 -0.45 0.01 0.00 -0.02 0.00 0.00 41.12 40.71 2a7l n ASP 98 CO 0.00 0.00 0.00 0.86 -0.39 0.00 0.00 177.20 177.67 2a7l s TRP 99 N -1.01 2.60 -0.04 1.24 -0.11 -1.09 -4.75 118.94 115.79 2a7l s TRP 99 Ca 0.46 1.40 -0.22 0.00 1.22 0.00 0.00 56.10 58.95 2a7l s TRP 99 Cb 0.24 -3.69 0.05 0.00 -1.50 0.00 0.00 33.47 28.56 2a7l s TRP 99 CO 0.31 -2.37 0.49 0.45 -4.62 0.00 0.00 176.95 171.22 2a7l s SER 100 N -0.90 -0.43 0.00 5.86 0.15 -1.26 -5.02 113.70 112.10 2a7l s SER 100 Ca 0.64 0.44 0.09 0.00 0.70 0.00 0.00 55.95 57.81 2a7l s SER 100 Cb -0.38 0.47 0.46 0.00 -1.71 0.00 0.00 66.02 64.86 2a7l s SER 100 CO 0.47 -0.50 1.15 -0.81 1.20 0.00 0.00 173.24 174.74 2a7l n PRO 101 N 1.22 0.14 0.19 5.44 -0.04 -1.24 -0.24 135.00 140.47 2a7l n PRO 101 Ca -0.20 0.19 0.07 0.00 -0.04 0.00 0.00 63.50 63.52 2a7l n PRO 101 Cb 0.56 -1.50 0.33 0.00 -0.04 0.00 0.00 33.50 32.85 2a7l n PRO 101 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2a7l h ALA 102 N 2.43 0.95 -1.64 0.55 0.00 -1.95 -3.45 119.26 116.15 2a7l h ALA 102 Ca 0.00 -0.30 -0.45 0.00 0.00 0.00 0.00 54.91 54.16 2a7l h ALA 102 Cb 0.08 -0.05 0.15 0.00 0.00 0.00 0.00 17.79 17.96 2a7l h ALA 102 CO 0.00 0.41 0.33 -0.51 0.00 0.00 0.00 179.25 179.48 2a7l s LEU 103 N -6.84 2.82 0.21 0.00 1.43 0.67 -5.11 118.68 111.85 2a7l s LEU 103 Ca 0.01 -0.07 -0.13 0.00 -1.03 0.00 0.00 54.13 52.91 2a7l s LEU 103 Cb 0.10 -1.96 0.00 0.00 0.03 0.00 0.00 46.19 44.36 2a7l s LEU 103 CO 0.68 -2.61 0.42 -0.94 0.23 0.00 0.00 176.35 174.13 2a7l s SER 104 N -4.91 -0.09 0.23 2.29 1.04 -1.26 -4.96 113.70 106.04 2a7l s SER 104 Ca 0.74 -0.80 -0.06 0.00 0.48 0.00 0.00 55.95 56.32 2a7l s SER 104 Cb -0.03 0.53 0.41 0.00 0.10 0.00 0.00 66.02 67.03 2a7l s SER 104 CO 0.51 -1.03 1.73 0.58 0.98 0.00 0.00 173.24 176.01 2a7l h VAL 105 N 2.34 0.67 -0.53 5.02 2.07 -1.99 -1.46 116.25 122.37 2a7l h VAL 105 Ca -0.29 -0.14 0.05 0.00 0.82 0.00 0.00 66.70 67.14 2a7l h VAL 105 Cb 1.25 0.22 -0.05 0.00 -1.52 0.00 0.00 31.29 31.19 2a7l h VAL 105 CO 0.40 0.08 0.26 -0.61 0.02 0.00 0.00 177.57 177.72 2a7l h GLN 106 N 0.42 0.48 -0.21 1.57 5.75 -1.99 -0.37 115.11 120.76 2a7l h GLN 106 Ca 0.38 -0.03 -0.11 0.00 -0.15 0.00 0.00 58.65 58.74 2a7l h GLN 106 Cb 0.56 -0.11 -0.01 0.00 1.07 0.00 0.00 27.48 28.99 2a7l h GLN 106 CO -0.39 0.32 -0.34 0.66 -2.65 0.00 0.00 178.83 176.43 2a7l h SER 107 N 0.50 0.45 -0.31 -0.69 4.64 -1.81 -1.18 113.55 115.15 2a7l h SER 107 Ca 0.24 -0.18 -0.01 0.00 -0.47 0.00 0.00 61.79 61.37 2a7l h SER 107 Cb 0.16 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 62.12 2a7l h SER 107 CO -0.18 0.76 0.16 0.58 -0.87 0.00 0.00 176.83 177.29 2a7l h VAL 108 N 0.37 1.14 -0.52 0.95 2.07 -0.83 -1.36 116.25 118.08 2a7l h VAL 108 Ca 0.04 -0.39 0.08 0.00 0.82 0.00 0.00 66.70 67.25 2a7l h VAL 108 Cb 0.78 0.84 -0.07 0.00 -1.52 0.00 0.00 31.29 31.33 2a7l h VAL 108 CO 0.06 0.15 0.14 0.00 0.02 0.00 0.00 177.57 177.94 2a7l h LEU 110 N 0.29 0.92 -0.79 0.00 3.38 -1.00 0.53 115.31 118.64 2a7l h LEU 110 Ca 0.26 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 58.16 2a7l h LEU 110 Cb 0.33 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 2a7l h LEU 110 CO -0.31 0.65 0.30 0.28 0.09 0.00 0.00 178.44 179.45 2a7l h SER 111 N 1.09 1.10 -0.15 -0.43 0.02 -0.71 -0.30 113.55 114.17 2a7l h SER 111 Ca 0.32 -0.18 -0.05 0.00 -0.84 0.00 0.00 61.79 61.03 2a7l h SER 111 Cb -0.07 -0.29 -0.00 0.00 0.14 0.00 0.00 62.40 62.18 2a7l h SER 111 CO -0.09 0.99 -0.11 0.40 -1.14 0.00 0.00 176.83 176.88 2a7l h ILE 112 N 1.15 1.33 -0.76 3.27 2.04 -0.84 0.01 117.51 123.72 2a7l h ILE 112 Ca 0.26 -1.22 0.16 0.00 1.00 0.00 0.00 64.86 65.06 2a7l h ILE 112 Cb 0.24 1.80 -0.10 0.00 -0.74 0.00 0.00 36.82 38.02 2a7l h ILE 112 CO -0.02 0.36 0.26 0.40 0.00 0.00 0.00 178.15 179.15 2a7l h ILE 113 N -0.00 0.58 -0.64 -0.67 2.04 -0.83 -2.14 117.51 115.85 2a7l h ILE 113 Ca 0.03 -0.13 -0.06 0.00 1.00 0.00 0.00 64.86 65.70 2a7l h ILE 113 Cb 0.62 0.18 -0.03 0.00 -0.74 0.00 0.00 36.82 36.85 2a7l h ILE 113 CO 0.03 0.07 0.16 -1.28 0.00 0.00 0.00 178.15 177.12 2a7l h SER 114 N 0.37 0.97 -0.77 1.72 0.87 -0.79 -1.94 113.55 113.98 2a7l h SER 114 Ca 0.43 -0.23 0.03 0.00 -1.23 0.00 0.00 61.79 60.79 2a7l h SER 114 Cb 0.70 -0.26 -0.05 0.00 -0.44 0.00 0.00 62.40 62.36 2a7l h SER 114 CO -0.46 0.95 0.49 -0.03 -0.53 0.00 0.00 176.83 177.26 2a7l h MET 115 N 0.95 0.93 -0.16 2.24 1.85 -0.37 0.54 114.93 120.89 2a7l h MET 115 Ca 0.20 -0.06 0.00 0.00 -0.61 0.00 0.00 59.70 59.24 2a7l h MET 115 Cb 0.36 -0.21 0.00 0.00 0.43 0.00 0.00 31.60 32.18 2a7l h MET 115 CO 0.00 0.61 0.00 1.28 -0.40 0.00 0.00 176.91 178.41 2a7l n LEU 116 N -4.61 1.01 0.00 3.39 4.77 -0.90 -5.10 117.00 115.56 2a7l n LEU 116 Ca 0.09 -0.48 0.00 0.00 -0.03 0.00 0.00 56.01 55.59 2a7l n LEU 116 Cb 0.09 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.07 2a7l n LEU 116 CO 0.33 0.24 0.00 -1.20 -1.33 0.00 0.00 177.39 175.43