#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 3.10 0.22 4.08 -7.23 -1.26 -4.88 120.40 114.43 2a7l s VAL -4 Ca 0.00 0.83 -0.32 0.00 -1.81 0.00 0.00 61.98 60.68 2a7l s VAL -4 Cb 0.00 -3.53 -0.14 0.00 0.56 0.00 0.00 36.38 33.27 2a7l s VAL -4 CO 0.00 0.09 1.42 -0.81 -0.31 0.00 0.00 175.10 175.48 2a7l n PRO -3 N 3.43 1.97 -0.26 4.82 -0.04 -1.26 -4.85 135.00 138.81 2a7l n PRO -3 Ca 0.10 0.70 0.03 0.00 -0.04 0.00 0.00 63.50 64.29 2a7l n PRO -3 Cb 0.42 -2.37 0.17 0.00 -0.04 0.00 0.00 33.50 31.68 2a7l n PRO -3 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2a7l h ARG -2 N 4.43 0.56 0.00 0.54 3.08 -2.00 -1.77 114.38 119.21 2a7l h ARG -2 Ca -0.45 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 59.57 2a7l h ARG -2 Cb 1.28 -0.13 -0.00 0.00 0.08 0.00 0.00 29.97 31.20 2a7l h ARG -2 CO 0.77 0.37 -0.01 0.78 -1.07 0.00 0.00 179.97 180.81 2a7l h GLY -1 N 0.57 0.00 0.87 0.04 0.00 -2.03 -0.55 103.07 101.97 2a7l h GLY -1 Ca 0.39 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.72 2a7l h GLY -1 CO -0.32 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 175.08 2a7l n SER 0 N -4.27 0.00 -0.23 0.19 3.41 -0.66 -1.82 113.62 110.23 2a7l n SER 0 Ca -0.03 -0.64 0.05 0.00 -0.26 0.00 0.00 58.87 58.00 2a7l n SER 0 Cb 0.09 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.04 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 -0.93 2.10 -0.12 4.33 2.00 -0.21 -4.69 117.12 119.59 2a7l n MET 1 Ca 0.12 -0.60 -0.05 0.00 0.00 0.00 0.00 57.70 57.17 2a7l n MET 1 Cb 0.05 -1.11 0.03 0.00 0.00 0.00 0.00 33.22 32.20 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 1.88 0.43 0.00 3.04 0.00 -1.45 -2.81 119.26 120.35 2a7l h ALA 2 Ca 0.00 0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 2a7l h ALA 2 Cb 0.37 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 2a7l h ALA 2 CO 0.00 -0.32 -0.93 0.66 0.00 0.00 0.00 179.25 178.65 2a7l h SER 3 N 0.20 0.00 -3.45 0.00 4.64 -1.85 -3.48 113.55 109.61 2a7l h SER 3 Ca 0.19 0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 60.96 2a7l h SER 3 Cb 0.23 0.00 0.10 0.00 -0.31 0.00 0.00 62.40 62.42 2a7l h SER 3 CO -0.25 0.28 0.72 0.80 -0.87 0.00 0.00 176.83 177.51 2a7l n MET 4 N -2.89 2.48 -1.65 4.77 0.00 -1.06 -4.95 117.12 113.82 2a7l n MET 4 Ca -0.02 0.87 -0.45 0.00 0.00 0.00 0.00 57.70 58.10 2a7l n MET 4 Cb 0.68 -2.58 -0.02 0.00 0.00 0.00 0.00 33.22 31.30 2a7l n MET 4 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 175.97 176.91 2a7l n GLN 5 N 1.14 1.79 -0.12 2.12 7.27 -1.26 -4.75 117.38 123.57 2a7l n GLN 5 Ca 0.05 0.63 -0.04 0.00 0.07 0.00 0.00 57.00 57.71 2a7l n GLN 5 Cb 0.37 -2.19 0.02 0.00 2.41 0.00 0.00 30.24 30.85 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 3.28 0.05 -0.95 3.69 1.57 -1.97 -0.64 116.57 121.61 2a7l h LYS 6 Ca -0.44 -0.00 0.08 0.00 -1.87 0.00 0.00 60.65 58.42 2a7l h LYS 6 Cb 1.30 -0.01 -0.07 0.00 0.08 0.00 0.00 32.23 33.53 2a7l h LYS 6 CO 0.69 0.03 0.59 -0.09 -0.57 0.00 0.00 179.45 180.10 2a7l h ARG 7 N 0.05 1.00 0.09 3.15 2.43 -1.99 -0.87 114.38 118.24 2a7l h ARG 7 Ca 0.20 -0.06 -0.26 0.00 -0.81 0.00 0.00 59.98 59.05 2a7l h ARG 7 Cb 0.30 -0.23 -0.00 0.00 -0.42 0.00 0.00 29.97 29.62 2a7l h ARG 7 CO -0.38 0.66 -1.16 -0.07 -1.51 0.00 0.00 179.97 177.51 2a7l h LEU 8 N 1.03 0.34 -0.66 3.80 3.38 -1.77 0.37 115.31 121.79 2a7l h LEU 8 Ca 0.43 -0.35 0.14 0.00 0.09 0.00 0.00 57.88 58.19 2a7l h LEU 8 Cb 0.28 -0.11 -0.11 0.00 0.09 0.00 0.00 40.66 40.81 2a7l h LEU 8 CO -0.21 1.26 -0.00 1.56 0.09 0.00 0.00 178.44 181.14 2a7l h GLN 9 N 0.07 0.11 -0.21 1.13 4.20 -0.67 0.40 115.11 120.14 2a7l h GLN 9 Ca -0.10 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.59 2a7l h GLN 9 Cb 1.89 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 29.64 2a7l h GLN 9 CO 0.18 0.07 0.11 -0.22 -0.67 0.00 0.00 178.83 178.30 2a7l h LYS 10 N 0.11 0.30 -0.09 1.46 3.64 -0.84 -0.49 116.57 120.66 2a7l h LYS 10 Ca 0.35 -0.04 -0.12 0.00 -1.27 0.00 0.00 60.65 59.57 2a7l h LYS 10 Cb 0.58 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.33 2a7l h LYS 10 CO -0.57 0.31 -0.49 0.93 -2.27 0.00 0.00 179.45 177.35 2a7l h GLU 11 N 0.22 0.22 -0.06 1.90 5.08 -0.62 -1.82 114.58 119.50 2a7l h GLU 11 Ca 0.07 -0.13 -0.00 0.00 -1.00 0.00 0.00 59.36 58.31 2a7l h GLU 11 Cb 0.10 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.36 2a7l h GLU 11 CO -0.01 0.67 0.03 1.25 -1.00 0.00 0.00 179.01 179.95 2a7l h LEU 12 N 0.18 0.08 -1.05 1.33 5.85 0.05 -1.86 115.31 119.89 2a7l h LEU 12 Ca 0.01 -0.14 -0.04 0.00 0.84 0.00 0.00 57.88 58.56 2a7l h LEU 12 Cb 0.94 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.92 2a7l h LEU 12 CO 0.08 0.19 0.25 -0.07 -0.34 0.00 0.00 178.44 178.55 2a7l h LEU 13 N -0.04 0.85 -1.21 2.25 3.38 -0.99 -0.69 115.31 118.85 2a7l h LEU 13 Ca 0.02 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 2a7l h LEU 13 Cb 0.14 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 2a7l h LEU 13 CO -0.00 0.76 0.33 0.00 0.09 0.00 0.00 178.44 179.62 2a7l h ALA 14 N 1.36 1.40 -0.18 1.53 0.00 -1.24 0.72 119.26 122.86 2a7l h ALA 14 Ca 0.22 -0.11 -0.12 0.00 0.00 0.00 0.00 54.91 54.90 2a7l h ALA 14 Cb 0.18 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 2a7l h ALA 14 CO -0.02 0.49 -0.39 -0.07 0.00 0.00 0.00 179.25 179.26 2a7l h LEU 15 N 0.88 0.43 -0.29 0.00 3.38 -0.46 -0.30 115.31 118.94 2a7l h LEU 15 Ca 0.22 -0.18 -0.07 0.00 0.09 0.00 0.00 57.88 57.94 2a7l h LEU 15 Cb 0.05 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 2a7l h LEU 15 CO -0.03 0.79 -0.08 -0.61 0.09 0.00 0.00 178.44 178.59 2a7l h GLN 16 N 0.35 0.58 0.00 1.13 4.15 -0.61 -3.27 115.11 117.44 2a7l h GLN 16 Ca 0.03 -0.23 -0.36 0.00 0.77 0.00 0.00 58.65 58.87 2a7l h GLN 16 Cb 0.84 -0.03 -0.07 0.00 0.21 0.00 0.00 27.48 28.44 2a7l h GLN 16 CO 0.07 0.78 -2.27 0.09 -1.93 0.00 0.00 178.83 175.57 2a7l n ASN 17 N -4.47 0.39 -3.06 -0.69 5.03 0.20 -4.69 115.26 107.96 2a7l n ASN 17 Ca -0.03 0.07 -0.16 0.00 0.87 0.00 0.00 54.58 55.33 2a7l n ASN 17 Cb 0.33 0.63 -0.00 0.00 -1.02 0.00 0.00 39.78 39.72 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 0.15 -4.74 6.41 2.03 -0.13 -5.07 116.55 112.33 2a7l n ASP 18 Ca -0.31 -3.14 -0.31 0.00 0.52 0.00 0.00 54.79 51.55 2a7l n ASP 18 Cb 1.12 -0.05 0.11 0.00 -0.72 0.00 0.00 41.12 41.58 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 -1.86 1.91 0.85 -0.67 0.04 -1.21 -4.70 135.00 129.36 2a7l s PRO 19 Ca 0.35 1.25 -0.11 0.00 0.04 0.00 0.00 61.00 62.54 2a7l s PRO 19 Cb 0.34 -1.85 0.10 0.00 0.04 0.00 0.00 34.50 33.13 2a7l s PRO 19 CO -0.07 -1.91 1.10 -2.14 0.04 0.00 0.00 177.00 174.02 2a7l s PRO 20 N -4.84 1.61 0.14 0.56 0.02 -1.26 -4.91 135.00 126.31 2a7l s PRO 20 Ca 0.63 1.16 -0.35 0.00 0.02 0.00 0.00 61.00 62.46 2a7l s PRO 20 Cb -0.19 -1.82 -0.15 0.00 0.02 0.00 0.00 34.50 32.36 2a7l s PRO 20 CO 0.57 -2.09 1.46 -2.30 -0.33 0.00 0.00 177.00 174.30 2a7l n PRO 21 N -3.83 1.76 -0.99 5.54 -0.02 -1.26 -1.80 135.00 134.40 2a7l n PRO 21 Ca 0.09 0.63 0.00 0.00 -2.02 0.00 0.00 63.50 62.20 2a7l n PRO 21 Cb 0.53 -2.34 0.00 0.00 -0.02 0.00 0.00 33.50 31.68 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 2.94 0.77 3.34 -1.23 0.00 -1.26 -5.03 105.19 104.73 2a7l n GLY 22 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.06 2.01 -0.03 1.61 -1.94 -0.75 -5.11 119.30 115.03 2a7l s MET 23 Ca 0.00 -0.99 -0.01 0.00 -1.71 0.00 0.00 55.69 52.98 2a7l s MET 23 Cb 0.00 -2.04 0.03 0.00 2.01 0.00 0.00 34.83 34.83 2a7l s MET 23 CO 0.00 0.54 0.05 0.99 -0.01 0.00 0.00 175.02 176.59 2a7l s THR 24 N -0.71 -0.09 0.24 2.05 2.01 -1.26 -4.57 115.64 113.31 2a7l s THR 24 Ca 0.11 0.33 -0.31 0.00 0.31 0.00 0.00 61.69 62.12 2a7l s THR 24 Cb -0.10 -0.12 -0.13 0.00 0.01 0.00 0.00 72.50 72.16 2a7l s THR 24 CO 0.01 0.14 1.42 -0.11 -0.69 0.00 0.00 174.62 175.38 2a7l n LEU 25 N 4.76 3.13 -4.51 4.42 7.94 -1.26 -4.95 117.00 126.53 2a7l n LEU 25 Ca -0.15 1.14 -0.42 0.00 -1.11 0.00 0.00 56.01 55.47 2a7l n LEU 25 Cb 0.50 -1.43 -0.03 0.00 0.53 0.00 0.00 43.42 42.99 2a7l n LEU 25 CO 0.14 -0.47 0.98 0.21 -1.11 0.00 0.00 177.39 177.13 2a7l s ASN 26 N 0.32 6.18 0.12 1.96 3.84 -1.26 -4.90 114.94 121.20 2a7l s ASN 26 Ca 0.68 -0.66 0.19 0.00 0.21 0.00 0.00 52.86 53.28 2a7l s ASN 26 Cb -0.65 -2.50 0.79 0.00 -0.55 0.00 0.00 41.25 38.34 2a7l s ASN 26 CO 0.49 -1.64 1.58 -1.84 -2.79 0.00 0.00 177.10 172.90 2a7l n GLU 27 N 8.58 0.09 0.00 0.43 0.00 -1.26 -1.71 120.64 126.77 2a7l n GLU 27 Ca 0.00 0.34 0.13 0.00 0.00 0.00 0.00 57.16 57.63 2a7l n GLU 27 Cb 0.47 -1.68 0.35 0.00 0.00 0.00 0.00 31.44 30.59 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 -1.85 1.84 -0.05 3.44 5.02 -1.26 -4.37 118.16 120.93 2a7l n LYS 28 Ca 0.03 -1.28 0.12 0.00 -2.02 0.00 0.00 58.31 55.16 2a7l n LYS 28 Cb 0.20 -1.47 0.15 0.00 -0.02 0.00 0.00 35.03 33.88 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 0.54 3.05 -4.70 4.39 3.41 -0.69 -4.96 113.62 114.65 2a7l n SER 29 Ca 0.17 -1.97 -0.42 0.00 -0.26 0.00 0.00 58.87 56.38 2a7l n SER 29 Cb 0.44 -0.07 -0.03 0.00 -0.26 0.00 0.00 64.21 64.30 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 -1.86 4.50 -0.01 -3.33 1.01 -1.26 -5.02 120.40 114.43 2a7l s VAL 30 Ca 0.31 1.80 0.01 0.00 0.00 0.00 0.00 61.98 64.10 2a7l s VAL 30 Cb 0.21 -4.15 0.00 0.00 0.00 0.00 0.00 36.38 32.44 2a7l s VAL 30 CO 0.31 0.10 -0.03 -1.10 0.00 0.00 0.00 175.10 174.38 2a7l s GLN 31 N 1.32 0.28 0.36 2.72 -0.21 -1.26 -5.03 119.66 117.84 2a7l s GLN 31 Ca 0.54 -0.08 0.09 0.00 0.02 0.00 0.00 55.36 55.93 2a7l s GLN 31 Cb -0.24 -0.30 -0.07 0.00 1.00 0.00 0.00 33.01 33.40 2a7l s GLN 31 CO 0.26 0.03 -0.05 -0.80 -2.12 0.00 0.00 175.29 172.61 2a7l s ASN 32 N 0.14 3.86 -1.38 5.90 -0.87 -1.26 -4.83 114.94 116.49 2a7l s ASN 32 Ca -0.01 -1.19 -0.10 0.00 -1.57 0.00 0.00 52.86 49.99 2a7l s ASN 32 Cb -0.04 -0.39 0.02 0.00 -0.02 0.00 0.00 41.25 40.82 2a7l s ASN 32 CO -0.00 -0.27 1.16 -1.20 -2.57 0.00 0.00 177.10 174.22 2a7l n SER 33 N -0.87 -6.20 -4.76 -1.22 7.64 -1.26 -4.00 113.62 102.95 2a7l n SER 33 Ca -0.05 -0.57 -0.40 0.00 1.01 0.00 0.00 58.87 58.86 2a7l n SER 33 Cb 0.64 -4.89 -0.06 0.00 -1.01 0.00 0.00 64.21 58.89 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 -3.32 4.24 0.01 0.44 1.01 -1.26 -3.85 121.20 118.48 2a7l s ILE 34 Ca 0.60 1.87 0.04 0.00 0.00 0.00 0.00 60.65 63.16 2a7l s ILE 34 Cb -0.27 -4.22 -0.03 0.00 0.01 0.00 0.00 42.46 37.94 2a7l s ILE 34 CO 0.74 0.51 -0.09 -0.89 0.00 0.00 0.00 174.94 175.22 2a7l s THR 35 N -1.14 3.49 0.09 2.92 2.01 -0.72 -4.97 115.64 117.32 2a7l s THR 35 Ca 0.38 -0.86 -0.11 0.00 0.31 0.00 0.00 61.69 61.41 2a7l s THR 35 Cb -0.24 -2.52 0.01 0.00 0.01 0.00 0.00 72.50 69.76 2a7l s THR 35 CO 0.29 0.37 0.25 0.00 -0.69 0.00 0.00 174.62 174.84 2a7l s GLN 36 N -1.45 0.87 0.23 4.92 -2.07 -1.26 -0.32 119.66 120.58 2a7l s GLN 36 Ca 0.17 -0.82 -0.22 0.00 -1.82 0.00 0.00 55.36 52.66 2a7l s GLN 36 Cb -0.11 0.36 0.04 0.00 -1.09 0.00 0.00 33.01 32.21 2a7l s GLN 36 CO 0.07 -0.29 0.82 1.67 -1.32 0.00 0.00 175.29 176.24 2a7l s TRP 37 N -3.58 -0.16 -0.07 9.60 -2.14 -0.73 -5.01 118.94 116.86 2a7l s TRP 37 Ca 0.02 -0.24 0.04 0.00 2.66 0.00 0.00 56.10 58.58 2a7l s TRP 37 Cb 0.03 0.68 -0.02 0.00 -3.10 0.00 0.00 33.47 31.07 2a7l s TRP 37 CO -0.10 -1.08 -0.20 0.42 -2.66 0.00 0.00 176.95 173.34 2a7l s ILE 38 N -3.63 2.55 -0.19 0.66 1.01 -1.26 -0.88 121.20 119.46 2a7l s ILE 38 Ca 0.12 -0.89 -0.03 0.00 0.00 0.00 0.00 60.65 59.85 2a7l s ILE 38 Cb -0.04 -1.98 -0.01 0.00 0.01 0.00 0.00 42.46 40.44 2a7l s ILE 38 CO 0.05 0.57 -0.06 -0.69 0.00 0.00 0.00 174.94 174.81 2a7l s VAL 39 N -0.23 3.40 0.13 2.92 1.01 0.46 -4.96 120.40 123.13 2a7l s VAL 39 Ca -0.00 -0.50 -0.30 0.00 0.00 0.00 0.00 61.98 61.17 2a7l s VAL 39 Cb -0.13 -2.52 -0.06 0.00 0.00 0.00 0.00 36.38 33.67 2a7l s VAL 39 CO 0.03 0.45 0.96 -1.81 0.00 0.00 0.00 175.10 174.74 2a7l s ASP 40 N 1.06 7.51 -0.08 3.32 1.01 -1.26 -0.42 116.67 127.81 2a7l s ASP 40 Ca 0.01 1.82 0.02 0.00 0.71 0.00 0.00 52.55 55.12 2a7l s ASP 40 Cb -0.15 -2.59 0.01 0.00 1.01 0.00 0.00 42.92 41.20 2a7l s ASP 40 CO -0.00 -0.04 -0.15 -0.32 0.21 0.00 0.00 175.17 174.86 2a7l s MET 41 N -0.17 2.07 -0.18 8.23 -2.45 -0.14 -4.95 119.30 121.71 2a7l s MET 41 Ca 0.46 -0.53 -0.11 0.00 -1.25 0.00 0.00 55.69 54.26 2a7l s MET 41 Cb -0.24 -1.68 -0.05 0.00 1.25 0.00 0.00 34.83 34.11 2a7l s MET 41 CO 0.30 0.04 0.18 -1.21 1.05 0.00 0.00 175.02 175.38 2a7l s GLU 42 N 0.67 4.12 0.33 4.11 2.02 -1.26 0.35 118.70 129.04 2a7l s GLU 42 Ca -0.14 -0.11 -0.29 0.00 0.02 0.00 0.00 54.97 54.45 2a7l s GLU 42 Cb -0.16 -3.39 -0.12 0.00 0.10 0.00 0.00 34.13 30.56 2a7l s GLU 42 CO 0.04 0.34 1.38 0.41 0.02 0.00 0.00 175.26 177.45 2a7l n GLY 43 N 3.28 0.83 3.77 -1.39 0.00 -0.20 -4.96 105.19 106.52 2a7l n GLY 43 Ca -0.15 0.36 -0.38 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.81 3.23 0.31 4.61 0.00 -1.26 -3.84 121.76 124.01 2a7l s ALA 44 Ca 0.58 0.70 -0.29 0.00 0.00 0.00 0.00 51.96 52.95 2a7l s ALA 44 Cb -0.55 -3.26 -0.13 0.00 0.00 0.00 0.00 23.12 19.18 2a7l s ALA 44 CO 0.59 -0.06 1.30 -2.30 0.00 0.00 0.00 175.76 175.29 2a7l n PRO 45 N 0.61 2.05 -1.01 0.00 -0.02 -1.26 -2.23 135.00 133.14 2a7l n PRO 45 Ca 0.02 0.72 -0.00 0.00 -2.02 0.00 0.00 63.50 62.22 2a7l n PRO 45 Cb 0.48 -2.31 -0.00 0.00 -0.02 0.00 0.00 33.50 31.65 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 1.15 0.46 3.75 -1.23 0.00 -1.26 -4.98 105.19 103.08 2a7l n GLY 46 Ca 0.07 -0.14 -0.25 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.92 2.26 -1.32 2.61 -4.23 -0.95 -5.00 115.64 107.09 2a7l s THR 47 Ca 0.00 -1.69 0.04 0.00 -1.18 0.00 0.00 61.69 58.86 2a7l s THR 47 Cb 0.00 -2.95 0.06 0.00 1.34 0.00 0.00 72.50 70.95 2a7l s THR 47 CO 0.00 0.00 1.00 0.18 -0.54 0.00 0.00 174.62 175.26 2a7l n LEU 48 N -1.26 0.00 -0.51 4.79 4.77 -1.26 -2.45 117.00 121.08 2a7l n LEU 48 Ca -0.01 0.34 0.05 0.00 -0.03 0.00 0.00 56.01 56.36 2a7l n LEU 48 Cb 0.65 -0.34 0.09 0.00 -2.33 0.00 0.00 43.42 41.49 2a7l n LEU 48 CO 0.45 -0.29 0.51 -1.22 -1.33 0.00 0.00 177.39 175.51 2a7l n TYR 49 N -1.34 0.20 -1.62 -1.77 4.01 -1.26 -5.01 117.16 110.37 2a7l n TYR 49 Ca 0.02 -0.22 -0.50 0.00 -0.16 0.00 0.00 57.90 57.04 2a7l n TYR 49 Cb 0.04 -0.01 -0.05 0.00 -0.31 0.00 0.00 39.34 39.00 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 0.54 1.51 -0.95 -0.72 2.13 -1.03 -0.90 120.64 121.23 2a7l n GLU 50 Ca 0.08 0.55 0.00 0.00 0.66 0.00 0.00 57.16 58.45 2a7l n GLU 50 Cb 0.33 -2.22 0.00 0.00 0.27 0.00 0.00 31.44 29.82 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 2.77 0.74 3.81 8.31 0.00 -1.25 -4.98 105.19 114.59 2a7l n GLY 51 Ca 0.17 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.18 4.23 -0.24 1.61 0.41 -0.08 -4.95 118.70 119.51 2a7l s GLU 52 Ca 0.00 0.79 -0.03 0.00 -0.41 0.00 0.00 54.97 55.32 2a7l s GLU 52 Cb 0.00 -3.08 0.01 0.00 -1.78 0.00 0.00 34.13 29.28 2a7l s GLU 52 CO 0.00 0.53 -0.04 0.15 -0.49 0.00 0.00 175.26 175.41 2a7l s LYS 53 N -1.53 3.11 0.37 1.61 1.02 -1.26 -1.03 119.74 122.02 2a7l s LYS 53 Ca 0.36 -0.80 0.08 0.00 0.02 0.00 0.00 55.97 55.63 2a7l s LYS 53 Cb -0.18 -3.03 -0.05 0.00 -0.52 0.00 0.00 37.83 34.06 2a7l s LYS 53 CO 0.21 -0.31 0.16 -0.06 -0.92 0.00 0.00 175.35 174.43 2a7l s PHE 54 N 1.41 2.66 -0.06 3.18 0.08 0.15 -4.80 117.98 120.60 2a7l s PHE 54 Ca 0.03 -0.47 0.02 0.00 0.12 0.00 0.00 56.93 56.63 2a7l s PHE 54 Cb -0.15 -1.78 0.02 0.00 -0.57 0.00 0.00 43.02 40.53 2a7l s PHE 54 CO -0.03 0.26 -0.10 -0.65 -0.10 0.00 0.00 175.22 174.60 2a7l s GLN 55 N -3.88 1.44 -0.20 0.44 -0.21 -1.26 -0.97 119.66 115.02 2a7l s GLN 55 Ca 0.39 -0.32 -0.06 0.00 0.02 0.00 0.00 55.36 55.40 2a7l s GLN 55 Cb -0.00 -1.25 -0.03 0.00 1.00 0.00 0.00 33.01 32.73 2a7l s GLN 55 CO 0.23 -0.02 0.02 -0.51 -2.12 0.00 0.00 175.29 172.89 2a7l s LEU 56 N 0.78 3.41 -0.23 2.90 1.43 0.44 -0.62 118.68 126.78 2a7l s LEU 56 Ca -0.13 -0.14 -0.14 0.00 -1.03 0.00 0.00 54.13 52.70 2a7l s LEU 56 Cb -0.15 -1.87 -0.04 0.00 0.03 0.00 0.00 46.19 44.16 2a7l s LEU 56 CO 0.02 0.08 0.32 -0.22 0.23 0.00 0.00 176.35 176.78 2a7l s LEU 57 N 0.93 4.11 -0.17 1.79 2.96 0.54 -0.41 118.68 128.42 2a7l s LEU 57 Ca 0.02 0.32 -0.07 0.00 -0.22 0.00 0.00 54.13 54.18 2a7l s LEU 57 Cb -0.14 -2.36 -0.04 0.00 0.50 0.00 0.00 46.19 44.15 2a7l s LEU 57 CO 0.02 -0.07 0.06 -0.36 -1.32 0.00 0.00 176.35 174.68 2a7l s PHE 58 N 1.48 3.26 -0.06 5.38 0.08 -0.06 -2.02 117.98 126.03 2a7l s PHE 58 Ca 0.14 0.10 0.01 0.00 0.12 0.00 0.00 56.93 57.30 2a7l s PHE 58 Cb -0.15 -2.05 0.02 0.00 -0.57 0.00 0.00 43.02 40.27 2a7l s PHE 58 CO 0.08 0.20 -0.08 0.21 -0.10 0.00 0.00 175.22 175.52 2a7l s LYS 59 N 0.23 1.33 -0.20 0.44 2.20 0.01 -1.78 119.74 121.96 2a7l s LYS 59 Ca 0.04 -0.26 -0.01 0.00 -0.36 0.00 0.00 55.97 55.38 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 -0.06 -0.13 -0.06 -0.36 0.00 0.00 175.35 174.74 2a7l s PHE 60 N 0.95 2.88 0.93 4.03 0.08 0.56 -0.80 117.98 126.61 2a7l s PHE 60 Ca -0.10 -1.43 -0.13 0.00 0.12 0.00 0.00 56.93 55.39 2a7l s PHE 60 Cb -0.15 -1.99 0.15 0.00 -0.57 0.00 0.00 43.02 40.46 2a7l s PHE 60 CO 0.00 -0.72 1.14 -1.54 -0.10 0.00 0.00 175.22 174.00 2a7l s SER 61 N 1.35 3.32 0.30 1.36 1.04 -1.26 -1.76 113.70 118.04 2a7l s SER 61 Ca 0.04 0.94 0.23 0.00 0.48 0.00 0.00 55.95 57.64 2a7l s SER 61 Cb -0.14 -1.49 1.09 0.00 0.10 0.00 0.00 66.02 65.58 2a7l s SER 61 CO -0.09 -2.67 1.69 -1.54 0.98 0.00 0.00 173.24 171.61 2a7l n SER 62 N -3.84 0.62 -0.84 7.02 3.41 -1.25 -2.04 113.62 116.69 2a7l n SER 62 Ca 0.07 0.72 0.12 0.00 -0.26 0.00 0.00 58.87 59.53 2a7l n SER 62 Cb 0.59 -0.83 0.22 0.00 -0.26 0.00 0.00 64.21 63.94 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 -2.26 2.16 -1.86 4.33 1.74 -1.26 -4.93 116.66 114.57 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 0.12 -1.47 0.01 0.00 -1.02 0.00 0.00 32.46 30.10 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 -1.96 2.57 -1.32 -1.55 5.04 -0.87 -1.37 117.35 117.88 2a7l s TYR 64 Ca 0.31 1.29 0.27 0.00 -2.44 0.00 0.00 57.07 56.50 2a7l s TYR 64 Cb 0.20 -3.87 0.87 0.00 0.35 0.00 0.00 41.96 39.51 2a7l s TYR 64 CO 0.31 -2.73 1.65 -0.35 -1.34 0.00 0.00 175.55 173.09 2a7l n PRO 65 N -0.02 0.35 0.04 4.97 -0.04 -1.26 -4.84 135.00 134.19 2a7l n PRO 65 Ca 0.04 -0.16 -0.12 0.00 -0.04 0.00 0.00 63.50 63.22 2a7l n PRO 65 Cb 0.42 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.31 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 0.39 -0.01 -3.27 0.54 3.57 -1.81 -3.30 116.94 113.05 2a7l h PHE 66 Ca 0.00 0.00 -0.53 0.00 3.53 0.00 0.00 57.97 60.97 2a7l h PHE 66 Cb 0.46 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.21 2a7l h PHE 66 CO 0.00 -0.01 0.53 0.34 -2.23 0.00 0.00 178.31 176.94 2a7l s ASP 67 N -5.18 7.13 0.55 0.41 2.15 -0.47 -4.68 116.67 116.58 2a7l s ASP 67 Ca -0.13 2.00 -0.21 0.00 0.43 0.00 0.00 52.55 54.64 2a7l s ASP 67 Cb 0.06 -2.58 -0.05 0.00 -0.30 0.00 0.00 42.92 40.05 2a7l s ASP 67 CO 0.66 -0.41 1.22 -1.54 -0.17 0.00 0.00 175.17 174.93 2a7l n SER 68 N 3.66 2.03 -4.80 -0.34 3.41 -1.26 -4.07 113.62 112.24 2a7l n SER 68 Ca 0.08 0.93 -0.33 0.00 -0.26 0.00 0.00 58.87 59.28 2a7l n SER 68 Cb 0.47 -1.51 -0.01 0.00 -0.26 0.00 0.00 64.21 62.90 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 -2.80 3.54 -0.33 4.33 0.04 -1.26 -4.77 135.00 133.75 2a7l s PRO 69 Ca 0.73 1.29 -0.18 0.00 0.04 0.00 0.00 61.00 62.88 2a7l s PRO 69 Cb -0.43 -2.06 -0.01 0.00 0.04 0.00 0.00 34.50 32.04 2a7l s PRO 69 CO 0.49 -0.64 0.51 -1.14 0.04 0.00 0.00 177.00 176.26 2a7l s GLN 70 N -3.67 3.74 -0.07 4.56 2.00 0.02 -4.95 119.66 121.30 2a7l s GLN 70 Ca 0.66 -0.04 0.04 0.00 -2.00 0.00 0.00 55.36 54.02 2a7l s GLN 70 Cb -0.16 -3.77 0.00 0.00 0.80 0.00 0.00 33.01 29.88 2a7l s GLN 70 CO 0.29 -0.57 -0.18 0.08 -0.50 0.00 0.00 175.29 174.41 2a7l s VAL 71 N 2.38 1.58 0.03 1.34 1.01 -1.26 -0.81 120.40 124.66 2a7l s VAL 71 Ca 0.19 -0.75 -0.17 0.00 0.00 0.00 0.00 61.98 61.25 2a7l s VAL 71 Cb -0.15 -1.38 0.03 0.00 0.00 0.00 0.00 36.38 34.88 2a7l s VAL 71 CO 0.12 0.45 0.37 0.00 0.00 0.00 0.00 175.10 176.04 2a7l s MET 72 N 0.36 0.83 0.28 2.72 0.23 -0.86 -4.25 119.30 118.61 2a7l s MET 72 Ca -0.13 -0.34 -0.29 0.00 -1.03 0.00 0.00 55.69 53.90 2a7l s MET 72 Cb -0.15 0.37 -0.09 0.00 -1.53 0.00 0.00 34.83 33.42 2a7l s MET 72 CO 0.05 -0.27 1.05 -0.06 -2.03 0.00 0.00 175.02 173.76 2a7l s PHE 73 N -2.17 3.67 0.25 3.16 0.08 -0.12 -0.34 117.98 122.51 2a7l s PHE 73 Ca -0.07 1.76 0.02 0.00 0.12 0.00 0.00 56.93 58.75 2a7l s PHE 73 Cb -0.02 -3.18 -0.05 0.00 -0.57 0.00 0.00 43.02 39.21 2a7l s PHE 73 CO -0.01 -0.25 0.08 -0.08 -0.10 0.00 0.00 175.22 174.86 2a7l s THR 74 N -1.22 0.64 0.00 0.64 -1.32 0.21 -4.25 115.64 110.33 2a7l s THR 74 Ca 0.45 -2.00 0.00 0.00 -1.21 0.00 0.00 61.69 58.93 2a7l s THR 74 Cb -0.29 -2.57 0.00 0.00 -1.51 0.00 0.00 72.50 68.13 2a7l s THR 74 CO 0.37 -0.07 0.00 0.61 -2.21 0.00 0.00 174.62 173.32 2a7l n GLY 75 N -0.45 -1.93 0.06 6.08 0.00 -1.26 -4.15 105.19 103.53 2a7l n GLY 75 Ca -0.01 -1.64 0.13 0.00 0.00 0.00 0.00 46.02 44.50 2a7l n GLY 75 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2a7l n GLU 76 N 0.00 0.29 -3.87 1.61 0.28 -1.26 -4.54 120.64 113.15 2a7l n GLU 76 Ca 0.00 -0.12 -0.34 0.00 -0.16 0.00 0.00 57.16 56.55 2a7l n GLU 76 Cb 0.00 -1.50 -0.13 0.00 1.43 0.00 0.00 31.44 31.25 2a7l n GLU 76 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 177.13 178.18 2a7l s ASN 77 N -2.80 4.95 -0.16 -1.84 2.47 -1.26 -5.09 114.94 111.21 2a7l s ASN 77 Ca 0.18 -2.41 -0.06 0.00 0.42 0.00 0.00 52.86 51.00 2a7l s ASN 77 Cb 0.19 -1.74 -0.04 0.00 -1.45 0.00 0.00 41.25 38.21 2a7l s ASN 77 CO 0.57 -0.41 0.03 -0.63 -3.72 0.00 0.00 177.10 172.95 2a7l s ILE 78 N 0.58 4.53 0.32 -5.21 1.01 -1.26 -4.50 121.20 116.67 2a7l s ILE 78 Ca 0.12 -0.13 -0.29 0.00 0.00 0.00 0.00 60.65 60.35 2a7l s ILE 78 Cb -0.22 -3.01 -0.13 0.00 0.01 0.00 0.00 42.46 39.11 2a7l s ILE 78 CO -0.04 0.49 1.31 -2.65 0.00 0.00 0.00 174.94 174.04 2a7l n PRO 79 N 3.37 2.10 -2.93 2.79 -0.02 -1.26 -4.94 135.00 134.11 2a7l n PRO 79 Ca -0.17 0.74 -0.43 0.00 -2.02 0.00 0.00 63.50 61.62 2a7l n PRO 79 Cb 0.52 -2.33 -0.05 0.00 -0.02 0.00 0.00 33.50 31.62 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 -0.87 4.53 -0.28 -1.45 1.01 -1.26 -4.85 120.40 117.24 2a7l s VAL 80 Ca 0.58 0.03 -0.22 0.00 0.00 0.00 0.00 61.98 62.37 2a7l s VAL 80 Cb -0.59 -4.47 0.09 0.00 0.00 0.00 0.00 36.38 31.41 2a7l s VAL 80 CO 0.59 -1.04 0.78 -2.28 0.00 0.00 0.00 175.10 173.16 2a7l s HIS 81 N 3.56 -0.80 0.45 5.22 5.04 -1.26 -5.05 115.29 122.46 2a7l s HIS 81 Ca 0.26 1.80 0.26 0.00 -1.54 0.00 0.00 55.06 55.83 2a7l s HIS 81 Cb -0.15 0.40 1.29 0.00 0.04 0.00 0.00 32.58 34.17 2a7l s HIS 81 CO 0.17 -0.39 1.76 -1.35 -2.34 0.00 0.00 174.74 172.59 2a7l h PRO 82 N 5.53 0.22 -0.35 2.88 0.11 -1.99 0.20 132.00 138.60 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 1.19 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.25 2a7l h PRO 82 CO 0.10 0.14 0.00 0.72 -0.21 0.00 0.00 178.00 178.76 2a7l n HIS 83 N -4.48 0.46 -4.50 0.65 8.25 -1.26 -4.74 115.22 109.60 2a7l n HIS 83 Ca 0.27 -0.23 -0.33 0.00 -0.26 0.00 0.00 57.72 57.17 2a7l n HIS 83 Cb 1.07 0.00 -0.16 0.00 1.12 0.00 0.00 29.99 32.02 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 -1.54 2.25 0.55 1.59 1.01 0.71 -0.16 120.40 124.81 2a7l s VAL 84 Ca 0.31 -0.90 -0.10 0.00 0.00 0.00 0.00 61.98 61.28 2a7l s VAL 84 Cb 0.16 -1.93 -0.05 0.00 0.00 0.00 0.00 36.38 34.57 2a7l s VAL 84 CO 0.23 0.53 0.93 -0.31 0.00 0.00 0.00 175.10 176.48 2a7l s TYR 85 N 0.93 3.58 0.61 5.22 2.02 0.09 -4.47 117.35 125.33 2a7l s TYR 85 Ca -0.04 1.16 0.31 0.00 -0.37 0.00 0.00 57.07 58.13 2a7l s TYR 85 Cb -0.15 -2.59 1.73 0.00 -0.40 0.00 0.00 41.96 40.56 2a7l s TYR 85 CO -0.04 -0.48 2.11 0.77 -1.57 0.00 0.00 175.55 176.34 2a7l h SER 86 N 0.13 0.00 0.36 2.29 0.02 -1.93 0.28 113.55 114.70 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 1.19 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.73 2a7l h SER 86 CO 0.62 0.00 -0.10 -0.46 -1.14 0.00 0.00 176.83 175.75 2a7l n ASN 87 N -3.63 0.45 0.00 3.07 0.23 -1.26 -4.92 115.26 109.20 2a7l n ASN 87 Ca 0.01 -0.57 0.00 0.00 -0.53 0.00 0.00 54.58 53.49 2a7l n ASN 87 Cb 0.31 -0.08 0.00 0.00 -2.08 0.00 0.00 39.78 37.93 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 1.27 0.33 3.72 4.83 0.00 0.10 -4.88 105.19 110.57 2a7l n GLY 88 Ca 0.15 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.74 2a7l n GLY 88 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2a7l n HIS 89 N -2.00 2.63 -4.13 1.61 -0.00 -1.25 -0.95 115.22 111.13 2a7l n HIS 89 Ca 0.00 0.33 -0.35 0.00 -0.00 0.00 0.00 57.72 57.70 2a7l n HIS 89 Cb 0.00 -2.54 -0.13 0.00 -0.00 0.00 0.00 29.99 27.32 2a7l n HIS 89 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.34 176.76 2a7l s ILE 90 N -0.13 3.91 -1.00 3.57 1.01 -1.26 -0.73 121.20 126.57 2a7l s ILE 90 Ca 0.64 -0.33 -0.13 0.00 0.00 0.00 0.00 60.65 60.83 2a7l s ILE 90 Cb -0.54 -2.76 0.21 0.00 0.01 0.00 0.00 42.46 39.38 2a7l s ILE 90 CO 0.50 0.44 1.06 0.00 0.00 0.00 0.00 174.94 176.94 2a7l s LEU 92 N 0.47 1.92 0.27 0.00 1.43 -1.26 -4.86 118.68 116.65 2a7l s LEU 92 Ca 0.29 -0.23 -0.03 0.00 -1.03 0.00 0.00 54.13 53.13 2a7l s LEU 92 Cb -0.08 -0.67 0.39 0.00 0.03 0.00 0.00 46.19 45.86 2a7l s LEU 92 CO -0.07 0.12 1.90 0.28 0.23 0.00 0.00 176.35 178.82 2a7l h SER 93 N 6.09 1.05 -0.22 2.29 0.02 -1.97 -1.97 113.55 118.83 2a7l h SER 93 Ca -0.33 -0.00 0.07 0.00 -0.84 0.00 0.00 61.79 60.68 2a7l h SER 93 Cb 1.17 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 63.47 2a7l h SER 93 CO 0.49 0.70 0.29 -0.29 -1.14 0.00 0.00 176.83 176.87 2a7l h ILE 94 N 1.20 0.36 0.00 3.27 2.10 -1.96 0.27 117.51 122.76 2a7l h ILE 94 Ca 0.40 0.00 0.00 0.00 1.08 0.00 0.00 64.86 66.34 2a7l h ILE 94 Cb 0.07 0.76 0.00 0.00 -1.09 0.00 0.00 36.82 36.57 2a7l h ILE 94 CO -0.14 0.00 -0.74 -0.07 -1.08 0.00 0.00 178.15 176.12 2a7l h LEU 95 N 0.00 0.00 0.00 2.19 3.38 -1.70 -3.11 115.31 116.06 2a7l h LEU 95 Ca 0.11 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2a7l h LEU 95 Cb 0.68 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.43 2a7l h LEU 95 CO -0.00 0.04 0.00 0.41 0.09 0.00 0.00 178.44 178.98 2a7l n THR 96 N -2.50 0.00 -0.22 0.22 -1.04 -0.09 -4.80 114.28 105.84 2a7l n THR 96 Ca 0.02 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.03 2a7l n THR 96 Cb 0.50 0.00 0.23 0.00 -1.82 0.00 0.00 70.33 69.25 2a7l n THR 96 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 2a7l h GLU 97 N 0.00 1.01 -0.73 -2.82 5.08 -1.78 -2.77 114.58 112.57 2a7l h GLU 97 Ca 0.00 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 2a7l h GLU 97 Cb 0.00 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.03 2a7l h GLU 97 CO 0.00 0.68 0.00 -0.25 -1.00 0.00 0.00 179.01 178.44 2a7l n ASP 98 N -4.41 3.90 -4.76 1.42 8.00 -0.17 -4.97 116.55 115.57 2a7l n ASP 98 Ca 0.08 -2.00 -0.39 0.00 0.71 0.00 0.00 54.79 53.20 2a7l n ASP 98 Cb 0.04 -0.49 0.02 0.00 -0.02 0.00 0.00 41.12 40.67 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 -1.03 2.52 -0.05 1.24 -0.11 -1.05 -4.75 118.94 115.73 2a7l s TRP 99 Ca 0.49 1.39 -0.22 0.00 1.22 0.00 0.00 56.10 58.97 2a7l s TRP 99 Cb 0.25 -3.72 0.05 0.00 -1.50 0.00 0.00 33.47 28.55 2a7l s TRP 99 CO 0.33 -2.49 0.49 0.45 -4.62 0.00 0.00 176.95 171.11 2a7l s SER 100 N -0.91 -0.43 0.00 5.86 0.15 -1.26 -5.03 113.70 112.08 2a7l s SER 100 Ca 0.65 0.45 0.12 0.00 0.70 0.00 0.00 55.95 57.88 2a7l s SER 100 Cb -0.38 0.48 0.59 0.00 -1.71 0.00 0.00 66.02 65.00 2a7l s SER 100 CO 0.47 -0.50 1.33 -0.81 1.20 0.00 0.00 173.24 174.93 2a7l n PRO 101 N 1.24 0.13 0.15 5.44 -0.04 -1.24 -0.25 135.00 140.42 2a7l n PRO 101 Ca -0.20 0.20 0.13 0.00 -0.04 0.00 0.00 63.50 63.60 2a7l n PRO 101 Cb 0.56 -1.50 0.44 0.00 -0.04 0.00 0.00 33.50 32.96 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 2.53 1.00 -4.76 0.55 0.00 -1.96 -3.45 119.26 113.18 2a7l h ALA 102 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 54.91 54.55 2a7l h ALA 102 Cb 0.14 0.00 0.09 0.00 0.00 0.00 0.00 17.79 18.02 2a7l h ALA 102 CO 0.00 0.00 0.16 1.28 0.00 0.00 0.00 179.25 180.69 2a7l n LEU 103 N -2.48 0.00 -3.73 0.00 4.77 0.65 -5.12 117.00 111.10 2a7l n LEU 103 Ca 0.04 -1.55 -0.10 0.00 -0.03 0.00 0.00 56.01 54.37 2a7l n LEU 103 Cb 0.36 -0.60 -0.04 0.00 -2.33 0.00 0.00 43.42 40.81 2a7l n LEU 103 CO 0.27 -0.99 0.21 -0.94 -1.33 0.00 0.00 177.39 174.61 2a7l s SER 104 N -4.44 -0.23 0.23 -1.43 1.04 -1.26 -4.97 113.70 102.65 2a7l s SER 104 Ca 0.55 -0.47 -0.06 0.00 0.48 0.00 0.00 55.95 56.45 2a7l s SER 104 Cb -0.03 0.53 0.40 0.00 0.10 0.00 0.00 66.02 67.03 2a7l s SER 104 CO 0.37 -0.98 1.71 0.58 0.98 0.00 0.00 173.24 175.90 2a7l h VAL 105 N 2.28 0.61 -0.58 5.02 2.07 -1.99 -1.71 116.25 121.95 2a7l h VAL 105 Ca -0.31 -0.11 0.08 0.00 0.82 0.00 0.00 66.70 67.18 2a7l h VAL 105 Cb 1.26 0.25 -0.06 0.00 -1.52 0.00 0.00 31.29 31.22 2a7l h VAL 105 CO 0.41 0.06 0.24 -0.61 0.02 0.00 0.00 177.57 177.69 2a7l h GLN 106 N 0.33 0.44 -0.23 1.57 5.75 -1.99 -0.25 115.11 120.72 2a7l h GLN 106 Ca 0.38 -0.03 -0.11 0.00 -0.15 0.00 0.00 58.65 58.75 2a7l h GLN 106 Cb 0.59 -0.10 -0.01 0.00 1.07 0.00 0.00 27.48 29.03 2a7l h GLN 106 CO -0.43 0.29 -0.30 0.66 -2.65 0.00 0.00 178.83 176.39 2a7l h SER 107 N 0.45 0.48 -0.22 -0.69 4.64 -1.76 -1.30 113.55 115.15 2a7l h SER 107 Ca 0.28 -0.18 -0.01 0.00 -0.47 0.00 0.00 61.79 61.41 2a7l h SER 107 Cb 0.29 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 62.23 2a7l h SER 107 CO -0.25 0.77 0.08 0.58 -0.87 0.00 0.00 176.83 177.14 2a7l h VAL 108 N 0.41 1.17 -0.66 0.95 2.07 -0.81 -1.39 116.25 117.99 2a7l h VAL 108 Ca 0.05 -0.51 0.10 0.00 0.82 0.00 0.00 66.70 67.16 2a7l h VAL 108 Cb 0.74 1.10 -0.07 0.00 -1.52 0.00 0.00 31.29 31.54 2a7l h VAL 108 CO 0.06 0.17 0.28 0.00 0.02 0.00 0.00 177.57 178.10 2a7l h LEU 110 N 0.48 1.09 -0.81 0.00 3.38 -1.02 -0.01 115.31 118.42 2a7l h LEU 110 Ca 0.34 -0.10 -0.06 0.00 0.09 0.00 0.00 57.88 58.14 2a7l h LEU 110 Cb 0.41 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.85 2a7l h LEU 110 CO -0.31 0.88 0.20 0.28 0.09 0.00 0.00 178.44 179.58 2a7l h SER 111 N 1.21 1.03 -0.12 -0.43 0.02 -0.43 -0.88 113.55 113.94 2a7l h SER 111 Ca 0.30 -0.20 -0.07 0.00 -0.84 0.00 0.00 61.79 60.98 2a7l h SER 111 Cb 0.04 -0.27 -0.00 0.00 0.14 0.00 0.00 62.40 62.31 2a7l h SER 111 CO -0.05 0.97 -0.21 0.40 -1.14 0.00 0.00 176.83 176.80 2a7l h ILE 112 N 1.05 1.37 -0.73 3.27 2.04 -0.86 -0.63 117.51 123.03 2a7l h ILE 112 Ca 0.23 -1.47 0.15 0.00 1.00 0.00 0.00 64.86 64.77 2a7l h ILE 112 Cb 0.32 2.03 -0.10 0.00 -0.74 0.00 0.00 36.82 38.33 2a7l h ILE 112 CO -0.00 0.43 0.20 0.40 0.00 0.00 0.00 178.15 179.17 2a7l h ILE 113 N -0.05 0.55 -0.39 -0.67 2.04 -0.95 -2.04 117.51 116.00 2a7l h ILE 113 Ca 0.01 -0.10 -0.01 0.00 1.00 0.00 0.00 64.86 65.76 2a7l h ILE 113 Cb 0.79 0.23 -0.02 0.00 -0.74 0.00 0.00 36.82 37.08 2a7l h ILE 113 CO 0.05 0.05 0.22 -1.28 0.00 0.00 0.00 178.15 177.19 2a7l h SER 114 N 0.30 0.49 -0.97 1.72 0.87 -0.97 -1.56 113.55 113.43 2a7l h SER 114 Ca 0.41 -0.09 0.10 0.00 -1.23 0.00 0.00 61.79 60.97 2a7l h SER 114 Cb 0.67 -0.12 -0.08 0.00 -0.44 0.00 0.00 62.40 62.43 2a7l h SER 114 CO -0.48 0.44 0.61 -0.03 -0.53 0.00 0.00 176.83 176.83 2a7l h MET 115 N 0.51 0.99 -0.12 2.24 1.85 -0.56 0.81 114.93 120.65 2a7l h MET 115 Ca 0.14 -0.06 0.00 0.00 -0.61 0.00 0.00 59.70 59.17 2a7l h MET 115 Cb 0.05 -0.22 0.00 0.00 0.43 0.00 0.00 31.60 31.86 2a7l h MET 115 CO -0.02 0.66 0.00 1.28 -0.40 0.00 0.00 176.91 178.42 2a7l n LEU 116 N -4.60 1.29 0.00 3.39 4.77 -0.82 -5.10 117.00 115.93 2a7l n LEU 116 Ca 0.17 -0.53 0.00 0.00 -0.03 0.00 0.00 56.01 55.62 2a7l n LEU 116 Cb 0.28 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.29 2a7l n LEU 116 CO 0.29 0.26 0.00 -1.20 -1.33 0.00 0.00 177.39 175.41