#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a9p s LYS 3 N 0.00 3.32 -0.17 1.97 2.20 -1.26 -0.94 119.74 124.85 2a9p s LYS 3 Ca 0.00 -0.66 -0.00 0.00 -0.36 0.00 0.00 55.97 54.94 2a9p s LYS 3 Cb 0.00 -2.64 0.00 0.00 -1.51 0.00 0.00 37.83 33.69 2a9p s LYS 3 CO 0.00 0.27 -0.14 0.42 -0.36 0.00 0.00 175.35 175.54 2a9p s ILE 4 N 0.21 2.66 -0.22 5.43 1.01 0.34 -0.37 121.20 130.27 2a9p s ILE 4 Ca -0.08 -0.76 -0.20 0.00 0.00 0.00 0.00 60.65 59.62 2a9p s ILE 4 Cb -0.15 -2.14 -0.03 0.00 0.01 0.00 0.00 42.46 40.15 2a9p s ILE 4 CO 0.05 0.50 0.59 -0.22 0.00 0.00 0.00 174.94 175.86 2a9p s LEU 5 N 1.07 4.12 -0.36 2.97 2.96 -0.55 -0.91 118.68 127.97 2a9p s LEU 5 Ca -0.00 0.73 -0.09 0.00 -0.22 0.00 0.00 54.13 54.55 2a9p s LEU 5 Cb -0.14 -2.81 0.03 0.00 0.50 0.00 0.00 46.19 43.77 2a9p s LEU 5 CO -0.04 -0.27 0.16 -0.63 -1.32 0.00 0.00 176.35 174.25 2a9p s ILE 6 N 1.99 4.16 -0.35 6.68 1.01 0.41 -0.59 121.20 134.52 2a9p s ILE 6 Ca 0.26 -1.01 -0.09 0.00 0.00 0.00 0.00 60.65 59.80 2a9p s ILE 6 Cb -0.16 -3.35 0.02 0.00 0.01 0.00 0.00 42.46 38.99 2a9p s ILE 6 CO 0.10 -0.21 0.16 -0.69 0.00 0.00 0.00 174.94 174.29 2a9p s VAL 7 N 1.47 4.35 -0.28 2.92 1.01 0.18 -1.54 120.40 128.51 2a9p s VAL 7 Ca 0.00 -0.82 -0.20 0.00 0.00 0.00 0.00 61.98 60.97 2a9p s VAL 7 Cb -0.19 -3.38 0.09 0.00 0.00 0.00 0.00 36.38 32.90 2a9p s VAL 7 CO 0.05 -0.13 0.76 -0.62 0.00 0.00 0.00 175.10 175.15 2a9p s ASP 8 N 1.53 -0.79 0.36 3.32 2.15 -0.62 -1.22 116.67 121.39 2a9p s ASP 8 Ca 0.02 1.36 0.25 0.00 0.43 0.00 0.00 52.55 54.61 2a9p s ASP 8 Cb -0.19 1.35 0.67 0.00 -0.30 0.00 0.00 42.92 44.45 2a9p s ASP 8 CO 0.05 -0.22 1.72 -2.24 -0.17 0.00 0.00 175.17 174.31 2a9p h ASP 9 N 5.98 0.00 -3.58 -0.34 2.03 -1.80 -3.38 116.42 115.32 2a9p h ASP 9 Ca -0.29 0.00 -0.66 0.00 -0.73 0.00 0.00 57.03 55.35 2a9p h ASP 9 Cb 1.20 0.00 -0.16 0.00 -0.83 0.00 0.00 39.33 39.54 2a9p h ASP 9 CO 0.12 0.00 0.04 -1.61 -1.03 0.00 0.00 179.24 176.77 2a9p s GLU 10 N -3.23 3.34 0.22 4.15 2.02 -1.26 -4.96 118.70 118.98 2a9p s GLU 10 Ca 0.07 -0.37 -0.08 0.00 0.02 0.00 0.00 54.97 54.62 2a9p s GLU 10 Cb 0.08 -3.92 0.28 0.00 0.10 0.00 0.00 34.13 30.67 2a9p s GLU 10 CO 0.61 -0.90 1.82 -0.22 0.02 0.00 0.00 175.26 176.59 2a9p h LYS 11 N 8.75 0.75 -1.01 1.61 1.63 -1.99 -0.94 116.57 125.38 2a9p h LYS 11 Ca -0.26 -0.05 0.13 0.00 -0.85 0.00 0.00 60.65 59.62 2a9p h LYS 11 Cb 1.10 -0.17 -0.09 0.00 -0.60 0.00 0.00 32.23 32.48 2a9p h LYS 11 CO 0.85 0.50 0.63 -1.35 -3.45 0.00 0.00 179.45 176.63 2a9p h PRO 12 N 0.78 0.94 0.04 1.90 0.11 -1.98 0.51 132.00 134.29 2a9p h PRO 12 Ca 0.33 -0.06 -0.00 0.00 0.11 0.00 0.00 66.00 66.38 2a9p h PRO 12 Cb 0.19 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 31.09 2a9p h PRO 12 CO -0.18 0.62 -0.02 0.82 -0.21 0.00 0.00 178.00 179.03 2a9p h ILE 13 N 0.97 1.29 -0.71 4.15 1.08 -1.84 -2.25 117.51 120.20 2a9p h ILE 13 Ca 0.51 -1.11 0.15 0.00 -0.39 0.00 0.00 64.86 64.02 2a9p h ILE 13 Cb 0.54 2.02 -0.11 0.00 -3.07 0.00 0.00 36.82 36.20 2a9p h ILE 13 CO -0.28 0.28 0.12 -1.28 -0.69 0.00 0.00 178.15 176.29 2a9p h SER 14 N -0.54 -0.09 -0.61 1.72 0.87 -0.99 -1.28 113.55 112.63 2a9p h SER 14 Ca -0.01 0.15 -0.02 0.00 -1.23 0.00 0.00 61.79 60.69 2a9p h SER 14 Cb 0.49 0.23 -0.03 0.00 -0.44 0.00 0.00 62.40 62.66 2a9p h SER 14 CO 0.01 -0.07 0.30 0.44 -0.53 0.00 0.00 176.83 176.97 2a9p h ASP 15 N 0.21 0.79 -0.49 6.23 3.45 -0.86 0.98 116.42 126.73 2a9p h ASP 15 Ca 0.39 -0.13 -0.01 0.00 0.43 0.00 0.00 57.03 57.72 2a9p h ASP 15 Cb 0.66 -0.20 -0.02 0.00 -0.56 0.00 0.00 39.33 39.21 2a9p h ASP 15 CO -0.53 0.69 0.27 0.40 -1.57 0.00 0.00 179.24 178.51 2a9p h ILE 16 N 0.83 1.17 -0.22 0.35 2.04 -0.72 -0.91 117.51 120.05 2a9p h ILE 16 Ca 0.21 -0.43 -0.15 0.00 1.00 0.00 0.00 64.86 65.49 2a9p h ILE 16 Cb 0.11 0.56 0.00 0.00 -0.74 0.00 0.00 36.82 36.75 2a9p h ILE 16 CO -0.03 0.18 -0.45 0.40 0.00 0.00 0.00 178.15 178.25 2a9p h ILE 17 N 0.65 1.31 -0.56 -0.67 2.04 -0.97 -2.35 117.51 116.96 2a9p h ILE 17 Ca 0.17 -1.67 0.06 0.00 1.00 0.00 0.00 64.86 64.43 2a9p h ILE 17 Cb 0.04 1.81 -0.06 0.00 -0.74 0.00 0.00 36.82 37.88 2a9p h ILE 17 CO -0.03 0.52 0.25 0.50 0.00 0.00 0.00 178.15 179.40 2a9p h LYS 18 N 0.40 0.46 -0.09 2.37 3.64 -0.72 -0.27 116.57 122.37 2a9p h LYS 18 Ca 0.01 -0.03 0.01 0.00 -1.27 0.00 0.00 60.65 59.37 2a9p h LYS 18 Cb 1.05 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.76 2a9p h LYS 18 CO 0.10 0.31 0.01 0.35 -2.27 0.00 0.00 179.45 177.95 2a9p h PHE 19 N 0.48 0.02 -0.61 1.91 3.57 -0.98 -0.53 116.94 120.80 2a9p h PHE 19 Ca 0.26 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.72 2a9p h PHE 19 Cb 0.23 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 38.95 2a9p h PHE 19 CO -0.13 0.01 0.21 -0.91 -2.23 0.00 0.00 178.31 175.26 2a9p h ASN 20 N 0.05 0.84 0.01 0.41 4.21 -0.94 -1.65 115.58 118.51 2a9p h ASN 20 Ca 0.04 -0.13 -0.20 0.00 1.21 0.00 0.00 56.30 57.22 2a9p h ASN 20 Cb 0.03 -0.22 0.00 0.00 -1.12 0.00 0.00 38.32 37.02 2a9p h ASN 20 CO -0.06 0.78 -0.71 0.24 -1.29 0.00 0.00 177.43 176.39 2a9p h MET 21 N 0.89 0.63 -0.60 0.81 2.86 -0.87 -2.91 114.93 115.75 2a9p h MET 21 Ca 0.20 -0.49 -0.00 0.00 -2.06 0.00 0.00 59.70 57.35 2a9p h MET 21 Cb 0.23 0.09 -0.03 0.00 0.06 0.00 0.00 31.60 31.96 2a9p h MET 21 CO -0.01 1.11 0.37 1.15 1.06 0.00 0.00 176.91 180.59 2a9p h THR 22 N 0.44 1.17 -0.42 2.22 2.02 -0.90 -1.73 112.91 115.71 2a9p h THR 22 Ca -0.03 -0.37 0.07 0.00 0.77 0.00 0.00 66.41 66.86 2a9p h THR 22 Cb 1.31 0.34 -0.02 0.00 -1.74 0.00 0.00 68.15 68.04 2a9p h THR 22 CO 0.14 0.17 0.29 0.11 0.37 0.00 0.00 175.52 176.60 2a9p h LYS 23 N 0.81 0.24 0.00 6.66 1.79 -1.19 -0.46 116.57 124.41 2a9p h LYS 23 Ca 0.21 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.67 2a9p h LYS 23 Cb -0.04 -0.05 0.00 0.00 -1.58 0.00 0.00 32.23 30.56 2a9p h LYS 23 CO -0.04 0.16 0.00 0.39 -1.08 0.00 0.00 179.45 178.88 2a9p n GLU 24 N -4.47 0.52 -0.51 3.15 -0.58 -0.71 -4.90 120.64 113.15 2a9p n GLU 24 Ca 0.06 0.02 0.00 0.00 -0.42 0.00 0.00 57.16 56.82 2a9p n GLU 24 Cb 0.31 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.68 2a9p n GLU 24 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2a9p n GLY 25 N 1.03 0.75 3.83 0.62 0.00 -0.18 -5.05 105.19 106.18 2a9p n GLY 25 Ca 0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.85 2a9p n GLY 25 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2a9p s TYR 26 N -2.22 3.33 0.05 1.61 4.12 -0.83 -4.61 117.35 118.81 2a9p s TYR 26 Ca 0.00 1.49 -0.30 0.00 0.02 0.00 0.00 57.07 58.28 2a9p s TYR 26 Cb 0.00 -2.75 -0.04 0.00 -1.52 0.00 0.00 41.96 37.65 2a9p s TYR 26 CO 0.00 -0.04 0.95 -2.00 0.02 0.00 0.00 175.55 174.48 2a9p s GLU 27 N -3.11 4.62 -0.13 -0.62 2.12 -0.12 -4.31 118.70 117.15 2a9p s GLU 27 Ca 0.59 1.40 -0.01 0.00 0.36 0.00 0.00 54.97 57.32 2a9p s GLU 27 Cb -0.09 -3.42 -0.02 0.00 0.26 0.00 0.00 34.13 30.86 2a9p s GLU 27 CO 0.14 0.09 -0.10 0.08 -0.54 0.00 0.00 175.26 174.93 2a9p s VAL 28 N 0.50 3.36 -0.00 3.70 1.01 -1.26 -0.50 120.40 127.20 2a9p s VAL 28 Ca 0.49 -0.56 0.08 0.00 0.00 0.00 0.00 61.98 61.99 2a9p s VAL 28 Cb -0.22 -2.42 -0.02 0.00 0.00 0.00 0.00 36.38 33.72 2a9p s VAL 28 CO 0.28 0.53 -0.26 0.68 0.00 0.00 0.00 175.10 176.33 2a9p s VAL 29 N 0.18 2.08 0.11 2.92 -7.23 -0.09 -4.96 120.40 113.41 2a9p s VAL 29 Ca -0.05 -1.18 0.09 0.00 -1.81 0.00 0.00 61.98 59.03 2a9p s VAL 29 Cb -0.15 -1.74 -0.04 0.00 0.56 0.00 0.00 36.38 35.02 2a9p s VAL 29 CO 0.04 0.53 -0.19 0.42 -0.31 0.00 0.00 175.10 175.59 2a9p s THR 30 N -0.66 2.80 0.02 5.32 -4.23 -1.26 -0.44 115.64 117.18 2a9p s THR 30 Ca 0.10 -1.51 0.02 0.00 -1.18 0.00 0.00 61.69 59.12 2a9p s THR 30 Cb -0.10 -2.27 -0.01 0.00 1.34 0.00 0.00 72.50 71.45 2a9p s THR 30 CO -0.00 0.11 -0.06 0.00 -0.54 0.00 0.00 174.62 174.13 2a9p s ALA 31 N -1.13 0.45 -0.93 3.99 0.00 -0.59 -4.93 121.76 118.63 2a9p s ALA 31 Ca 0.17 -0.46 0.08 0.00 0.00 0.00 0.00 51.96 51.75 2a9p s ALA 31 Cb -0.11 -0.02 0.12 0.00 0.00 0.00 0.00 23.12 23.11 2a9p s ALA 31 CO 0.10 0.03 0.91 1.19 0.00 0.00 0.00 175.76 177.99 2a9p n PHE 32 N 2.25 0.12 -3.89 0.00 3.01 -1.26 -1.59 117.46 116.10 2a9p n PHE 32 Ca -0.18 -0.17 -0.11 0.00 1.01 0.00 0.00 57.45 58.00 2a9p n PHE 32 Cb 0.57 -0.01 0.01 0.00 -0.01 0.00 0.00 39.48 40.03 2a9p n PHE 32 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 2a9p s ASN 33 N -0.81 0.28 0.23 4.37 2.20 -1.26 -3.65 114.94 116.31 2a9p s ASN 33 Ca 0.13 -1.26 0.01 0.00 -0.94 0.00 0.00 52.86 50.80 2a9p s ASN 33 Cb 0.08 0.80 0.25 0.00 -2.00 0.00 0.00 41.25 40.38 2a9p s ASN 33 CO 0.11 -1.59 1.58 1.23 -2.94 0.00 0.00 177.10 175.49 2a9p h GLY 34 N 2.03 0.45 0.84 0.45 0.00 -1.26 -0.74 103.07 104.83 2a9p h GLY 34 Ca -0.31 -0.49 -0.00 0.00 0.00 0.00 0.00 47.33 46.53 2a9p h GLY 34 CO 0.40 0.44 -0.02 -0.09 0.00 0.00 0.00 176.54 177.27 2a9p h ARG 35 N 0.32 -0.06 -0.73 4.80 2.43 -1.80 -2.27 114.38 117.08 2a9p h ARG 35 Ca 0.01 0.00 0.08 0.00 -0.81 0.00 0.00 59.98 59.26 2a9p h ARG 35 Cb 0.99 0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 30.51 2a9p h ARG 35 CO 0.09 0.11 0.48 0.93 -1.51 0.00 0.00 179.97 180.07 2a9p h GLU 36 N -0.22 0.69 -0.34 0.20 5.08 -1.90 -1.65 114.58 116.44 2a9p h GLU 36 Ca -0.01 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 2a9p h GLU 36 Cb 0.20 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 2a9p h GLU 36 CO 0.01 0.46 0.16 0.00 -1.00 0.00 0.00 179.01 178.64 2a9p h ALA 37 N 1.62 0.44 -0.47 3.43 0.00 -0.92 0.21 119.26 123.55 2a9p h ALA 37 Ca 0.32 -0.10 -0.12 0.00 0.00 0.00 0.00 54.91 55.01 2a9p h ALA 37 Cb 0.33 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 2a9p h ALA 37 CO -0.11 -0.00 -0.19 -0.07 0.00 0.00 0.00 179.25 178.88 2a9p h LEU 38 N 0.41 0.96 -0.51 0.00 3.38 -1.18 -0.02 115.31 118.35 2a9p h LEU 38 Ca 0.12 -0.35 -0.06 0.00 0.09 0.00 0.00 57.88 57.68 2a9p h LEU 38 Cb 0.12 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 2a9p h LEU 38 CO -0.01 1.12 0.09 -0.33 0.09 0.00 0.00 178.44 179.40 2a9p h GLU 39 N 0.82 0.84 -0.42 1.13 5.08 -0.98 -1.49 114.58 119.56 2a9p h GLU 39 Ca 0.11 -0.22 -0.10 0.00 -1.00 0.00 0.00 59.36 58.16 2a9p h GLU 39 Cb 0.75 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.88 2a9p h GLU 39 CO 0.06 0.82 -0.11 1.96 -1.00 0.00 0.00 179.01 180.74 2a9p h GLN 40 N 0.72 0.81 -0.60 2.33 1.08 -0.45 -1.45 115.11 117.55 2a9p h GLN 40 Ca 0.16 -0.32 0.08 0.00 -1.45 0.00 0.00 58.65 57.12 2a9p h GLN 40 Cb 0.38 -0.04 -0.07 0.00 -0.05 0.00 0.00 27.48 27.71 2a9p h GLN 40 CO 0.01 0.94 0.25 0.35 -0.95 0.00 0.00 178.83 179.43 2a9p h PHE 41 N 0.63 0.43 -0.30 2.96 3.57 -0.85 0.12 116.94 123.51 2a9p h PHE 41 Ca 0.10 0.03 -0.18 0.00 3.53 0.00 0.00 57.97 61.45 2a9p h PHE 41 Cb 0.65 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 39.28 2a9p h PHE 41 CO 0.05 0.14 -0.52 0.93 -2.23 0.00 0.00 178.31 176.68 2a9p h GLU 42 N 0.45 0.88 -0.01 1.11 4.39 -1.01 -1.41 114.58 118.98 2a9p h GLU 42 Ca 0.29 -0.55 -0.26 0.00 0.34 0.00 0.00 59.36 59.18 2a9p h GLU 42 Cb 0.32 0.06 0.02 0.00 -0.10 0.00 0.00 28.75 29.05 2a9p h GLU 42 CO -0.27 1.19 -1.01 0.00 -1.16 0.00 0.00 179.01 177.76 2a9p h ALA 43 N 0.69 0.18 0.00 3.43 0.00 -1.08 -3.37 119.26 119.11 2a9p h ALA 43 Ca 0.02 -0.69 -0.15 0.00 0.00 0.00 0.00 54.91 54.09 2a9p h ALA 43 Cb 1.13 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.94 2a9p h ALA 43 CO 0.12 0.71 -1.97 0.39 0.00 0.00 0.00 179.25 178.50 2a9p n GLU 44 N -3.84 0.66 -3.73 0.00 -0.58 0.42 -5.03 120.64 108.54 2a9p n GLU 44 Ca -0.10 -0.05 -0.32 0.00 -0.42 0.00 0.00 57.16 56.27 2a9p n GLU 44 Cb 0.87 -1.59 0.04 0.00 -0.57 0.00 0.00 31.44 30.18 2a9p n GLU 44 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 2a9p n GLN 45 N -2.55 -1.07 -1.18 3.49 6.02 -0.53 -4.92 117.38 116.65 2a9p n GLN 45 Ca -0.14 0.46 -0.32 0.00 -0.01 0.00 0.00 57.00 56.99 2a9p n GLN 45 Cb 0.81 -3.79 0.11 0.00 1.02 0.00 0.00 30.24 28.39 2a9p n GLN 45 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 2a9p s PRO 46 N -6.02 1.92 0.45 -1.09 0.04 -1.26 -4.93 135.00 124.12 2a9p s PRO 46 Ca 0.43 1.41 0.25 0.00 0.04 0.00 0.00 61.00 63.12 2a9p s PRO 46 Cb -0.17 -1.84 0.50 0.00 0.04 0.00 0.00 34.50 33.03 2a9p s PRO 46 CO 0.88 -1.93 1.67 -0.44 0.04 0.00 0.00 177.00 177.22 2a9p h ASP 47 N -1.08 0.00 -4.92 6.66 5.19 -1.06 -3.47 116.42 117.75 2a9p h ASP 47 Ca -0.44 0.00 -0.06 0.00 -0.62 0.00 0.00 57.03 55.91 2a9p h ASP 47 Cb 1.25 0.00 -0.19 0.00 0.18 0.00 0.00 39.33 40.57 2a9p h ASP 47 CO 0.48 0.01 0.17 -0.51 -3.12 0.00 0.00 179.24 176.28 2a9p s ILE 48 N -3.28 0.00 -0.09 0.35 2.07 -1.13 -4.18 121.20 114.93 2a9p s ILE 48 Ca 0.06 -0.01 0.04 0.00 -1.41 0.00 0.00 60.65 59.33 2a9p s ILE 48 Cb 0.06 -0.99 -0.00 0.00 0.13 0.00 0.00 42.46 41.66 2a9p s ILE 48 CO 0.65 -0.01 -0.23 -0.63 -1.91 0.00 0.00 174.94 172.81 2a9p s ILE 49 N -1.06 2.01 -0.26 2.00 1.01 -0.49 -1.49 121.20 122.92 2a9p s ILE 49 Ca -0.10 -1.00 -0.09 0.00 0.00 0.00 0.00 60.65 59.46 2a9p s ILE 49 Cb -0.01 -1.73 -0.04 0.00 0.01 0.00 0.00 42.46 40.69 2a9p s ILE 49 CO 0.09 0.55 0.13 -0.63 0.00 0.00 0.00 174.94 175.09 2a9p s ILE 50 N 0.30 4.90 -0.24 2.92 1.01 0.25 -0.53 121.20 129.80 2a9p s ILE 50 Ca -0.17 0.03 0.01 0.00 0.00 0.00 0.00 60.65 60.52 2a9p s ILE 50 Cb -0.17 -3.31 0.06 0.00 0.01 0.00 0.00 42.46 39.05 2a9p s ILE 50 CO 0.08 0.30 -0.04 -0.22 0.00 0.00 0.00 174.94 175.06 2a9p s LEU 51 N 1.57 2.68 0.75 2.97 2.96 0.44 -0.65 118.68 129.41 2a9p s LEU 51 Ca 0.07 -1.25 -0.12 0.00 -0.22 0.00 0.00 54.13 52.61 2a9p s LEU 51 Cb -0.15 -1.20 0.05 0.00 0.50 0.00 0.00 46.19 45.39 2a9p s LEU 51 CO 0.07 -0.25 1.10 -0.62 -1.32 0.00 0.00 176.35 175.33 2a9p s ASP 52 N 1.37 4.54 -0.14 3.68 2.15 -0.36 -0.88 116.67 127.03 2a9p s ASP 52 Ca -0.05 1.89 -0.03 0.00 0.43 0.00 0.00 52.55 54.79 2a9p s ASP 52 Cb -0.19 -2.53 -0.08 0.00 -0.30 0.00 0.00 42.92 39.82 2a9p s ASP 52 CO -0.07 -2.01 -0.16 0.18 -0.17 0.00 0.00 175.17 172.94 2a9p n LEU 53 N -3.30 1.99 -4.55 -1.34 4.77 -1.26 -4.10 117.00 109.21 2a9p n LEU 53 Ca 0.10 0.06 -0.41 0.00 -0.03 0.00 0.00 56.01 55.72 2a9p n LEU 53 Cb 0.53 -0.46 -0.03 0.00 -2.33 0.00 0.00 43.42 41.13 2a9p n LEU 53 CO 0.52 0.52 1.20 -0.04 -1.33 0.00 0.00 177.39 178.25 2a9p s MET 54 N -2.27 3.25 0.05 3.23 -1.94 -1.26 -1.21 119.30 119.15 2a9p s MET 54 Ca -0.20 -0.42 0.05 0.00 -1.71 0.00 0.00 55.69 53.41 2a9p s MET 54 Cb 0.06 -4.38 -0.02 0.00 2.01 0.00 0.00 34.83 32.50 2a9p s MET 54 CO 0.29 -2.14 -0.13 -0.51 -0.01 0.00 0.00 175.02 172.52 2a9p s LEU 55 N 5.52 2.21 0.82 -0.03 1.43 -1.26 -4.73 118.68 122.63 2a9p s LEU 55 Ca 0.36 -0.51 -0.12 0.00 -1.03 0.00 0.00 54.13 52.84 2a9p s LEU 55 Cb -0.07 -0.52 0.09 0.00 0.03 0.00 0.00 46.19 45.72 2a9p s LEU 55 CO 0.11 -0.03 1.14 -2.84 0.23 0.00 0.00 176.35 174.96 2a9p s PRO 56 N -1.34 1.69 0.00 1.29 0.02 -1.26 -4.25 135.00 131.15 2a9p s PRO 56 Ca -0.01 1.49 0.00 0.00 0.02 0.00 0.00 61.00 62.50 2a9p s PRO 56 Cb -0.09 -1.81 0.00 0.00 0.02 0.00 0.00 34.50 32.63 2a9p s PRO 56 CO 0.01 -2.12 0.00 0.39 -0.33 0.00 0.00 177.00 174.96 2a9p n GLU 57 N -3.61 0.00 -3.83 5.54 -0.58 -1.26 -1.86 120.64 115.04 2a9p n GLU 57 Ca 0.11 0.00 -0.19 0.00 -0.42 0.00 0.00 57.16 56.66 2a9p n GLU 57 Cb 0.52 0.00 -0.17 0.00 -0.57 0.00 0.00 31.44 31.22 2a9p n GLU 57 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 2a9p s ILE 58 N 0.00 0.14 0.78 -3.67 1.01 -1.26 -4.89 121.20 113.31 2a9p s ILE 58 Ca 0.00 0.18 -0.12 0.00 0.00 0.00 0.00 60.65 60.71 2a9p s ILE 58 Cb 0.00 -0.29 0.06 0.00 0.01 0.00 0.00 42.46 42.24 2a9p s ILE 58 CO 0.00 0.18 1.10 1.51 0.00 0.00 0.00 174.94 177.73 2a9p s ASP 59 N 1.50 4.65 0.41 3.58 1.47 -1.26 -2.96 116.67 124.06 2a9p s ASP 59 Ca -0.03 1.23 0.11 0.00 1.18 0.00 0.00 52.55 55.05 2a9p s ASP 59 Cb -0.13 -1.97 0.88 0.00 -0.34 0.00 0.00 42.92 41.37 2a9p s ASP 59 CO -0.03 -1.86 1.96 1.23 0.68 0.00 0.00 175.17 177.15 2a9p h GLY 60 N -1.02 0.18 0.96 2.12 0.00 -1.31 -0.84 103.07 103.16 2a9p h GLY 60 Ca -0.47 -0.10 -0.06 0.00 0.00 0.00 0.00 47.33 46.70 2a9p h GLY 60 CO 0.61 0.10 0.05 1.41 0.00 0.00 0.00 176.54 178.70 2a9p h LEU 61 N 0.16 0.72 -0.71 3.11 3.38 -1.87 -0.31 115.31 119.80 2a9p h LEU 61 Ca 0.03 -0.28 -0.05 0.00 0.09 0.00 0.00 57.88 57.68 2a9p h LEU 61 Cb 0.31 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 2a9p h LEU 61 CO 0.02 0.82 0.26 -0.33 0.09 0.00 0.00 178.44 179.30 2a9p h GLU 62 N 0.60 1.07 -0.15 1.13 4.39 -1.80 -0.60 114.58 119.22 2a9p h GLU 62 Ca 0.13 -0.21 0.02 0.00 0.34 0.00 0.00 59.36 59.64 2a9p h GLU 62 Cb 0.42 -0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 28.88 2a9p h GLU 62 CO 0.01 0.90 0.03 0.28 -1.16 0.00 0.00 179.01 179.06 2a9p h VAL 63 N 1.02 0.93 -0.29 3.13 2.07 -0.90 -0.17 116.25 122.04 2a9p h VAL 63 Ca 0.23 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.73 2a9p h VAL 63 Cb 0.24 0.84 -0.01 0.00 -1.52 0.00 0.00 31.29 30.84 2a9p h VAL 63 CO -0.02 0.02 0.19 0.00 0.02 0.00 0.00 177.57 177.78 2a9p h ALA 64 N 1.11 0.37 -0.62 1.67 0.00 -0.82 0.00 119.26 120.96 2a9p h ALA 64 Ca 0.06 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.96 2a9p h ALA 64 Cb 0.06 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 2a9p h ALA 64 CO -0.09 -0.15 0.40 -0.22 0.00 0.00 0.00 179.25 179.19 2a9p h LYS 65 N 0.39 0.79 -0.10 0.00 3.64 -0.93 -0.29 116.57 120.06 2a9p h LYS 65 Ca 0.11 -0.05 -0.19 0.00 -1.27 0.00 0.00 60.65 59.25 2a9p h LYS 65 Cb -0.03 -0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 31.61 2a9p h LYS 65 CO -0.02 0.52 -0.74 0.00 -2.27 0.00 0.00 179.45 176.94 2a9p h THR 66 N 0.81 1.35 -0.62 1.00 1.03 -0.68 -2.87 112.91 112.92 2a9p h THR 66 Ca 0.24 -2.08 0.03 0.00 -0.01 0.00 0.00 66.41 64.58 2a9p h THR 66 Cb -0.05 2.06 -0.04 0.00 -1.07 0.00 0.00 68.15 69.05 2a9p h THR 66 CO -0.07 0.64 0.39 0.40 -0.01 0.00 0.00 175.52 176.86 2a9p h ILE 67 N 0.35 1.09 0.00 0.00 2.04 -0.78 -1.85 117.51 118.36 2a9p h ILE 67 Ca -0.03 -0.26 -0.00 0.00 1.00 0.00 0.00 64.86 65.56 2a9p h ILE 67 Cb 1.32 0.25 -0.00 0.00 -0.74 0.00 0.00 36.82 37.66 2a9p h ILE 67 CO 0.13 0.14 -0.01 0.03 0.00 0.00 0.00 178.15 178.44 2a9p h ARG 68 N 0.76 0.00 -0.21 2.37 2.47 -0.87 0.08 114.38 118.98 2a9p h ARG 68 Ca 0.25 0.00 0.06 0.00 -1.26 0.00 0.00 59.98 59.03 2a9p h ARG 68 Cb 0.01 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.32 2a9p h ARG 68 CO -0.10 0.01 0.16 0.87 0.56 0.00 0.00 179.97 181.47 2a9p h LYS 69 N 0.00 0.00 0.00 0.04 1.57 -1.12 -3.34 116.57 113.72 2a9p h LYS 69 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2a9p h LYS 69 Cb 0.07 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.38 2a9p h LYS 69 CO 0.00 0.00 -0.61 0.25 -0.57 0.00 0.00 179.45 178.52 2a9p n THR 70 N -4.42 0.00 -4.07 -0.16 -2.24 -0.36 -5.10 114.28 97.93 2a9p n THR 70 Ca 0.02 -0.06 -0.13 0.00 -2.27 0.00 0.00 64.05 61.60 2a9p n THR 70 Cb 0.30 0.48 -0.13 0.00 -2.10 0.00 0.00 70.33 68.88 2a9p n THR 70 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2a9p s SER 71 N -1.35 0.64 -0.23 3.42 0.15 -0.13 -5.02 113.70 111.18 2a9p s SER 71 Ca 0.00 -0.35 0.14 0.00 0.70 0.00 0.00 55.95 56.45 2a9p s SER 71 Cb 0.00 0.01 0.80 0.00 -1.71 0.00 0.00 66.02 65.12 2a9p s SER 71 CO 0.00 -0.11 1.73 -1.54 1.20 0.00 0.00 173.24 174.52 2a9p n SER 72 N 2.11 5.62 -4.59 5.45 3.41 -1.26 -4.16 113.62 120.19 2a9p n SER 72 Ca -0.19 -2.93 -0.49 0.00 -0.26 0.00 0.00 58.87 55.00 2a9p n SER 72 Cb 0.56 -0.68 -0.04 0.00 -0.26 0.00 0.00 64.21 63.79 2a9p n SER 72 CO 0.00 0.00 0.00 0.55 -0.16 0.00 0.00 175.04 175.43 2a9p n VAL 73 N 0.56 0.59 -1.72 -3.33 3.14 -1.26 -4.86 118.33 111.45 2a9p n VAL 73 Ca 0.27 -0.15 -0.42 0.00 -2.96 0.00 0.00 64.34 61.08 2a9p n VAL 73 Cb 1.18 -0.93 -0.01 0.00 -1.06 0.00 0.00 33.84 33.01 2a9p n VAL 73 CO 0.00 0.00 0.00 -2.65 -6.46 0.00 0.00 176.83 167.72 2a9p n PRO 74 N 2.09 2.40 -4.36 1.45 -0.02 -1.26 -4.89 135.00 130.41 2a9p n PRO 74 Ca 0.16 0.85 -0.27 0.00 -2.02 0.00 0.00 63.50 62.22 2a9p n PRO 74 Cb 0.24 -2.54 -0.17 0.00 -0.02 0.00 0.00 33.50 31.01 2a9p n PRO 74 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2a9p s ILE 75 N -0.54 1.27 -0.34 4.25 1.01 -1.26 -1.40 121.20 124.19 2a9p s ILE 75 Ca 0.60 -0.51 -0.05 0.00 0.00 0.00 0.00 60.65 60.69 2a9p s ILE 75 Cb -0.54 -1.19 0.05 0.00 0.01 0.00 0.00 42.46 40.79 2a9p s ILE 75 CO 0.56 0.40 0.10 -0.22 0.00 0.00 0.00 174.94 175.77 2a9p s LEU 76 N 1.06 4.33 0.36 2.97 0.20 0.30 -0.55 118.68 127.34 2a9p s LEU 76 Ca -0.06 -1.24 -0.25 0.00 0.69 0.00 0.00 54.13 53.27 2a9p s LEU 76 Cb -0.15 -1.84 -0.10 0.00 -0.43 0.00 0.00 46.19 43.68 2a9p s LEU 76 CO -0.02 -0.34 0.97 -0.04 -0.29 0.00 0.00 176.35 176.64 2a9p s MET 77 N 1.36 4.44 -0.23 1.98 -1.94 -0.37 -0.42 119.30 124.11 2a9p s MET 77 Ca -0.02 1.33 -0.04 0.00 -1.71 0.00 0.00 55.69 55.26 2a9p s MET 77 Cb -0.20 -2.64 0.09 0.00 2.01 0.00 0.00 34.83 34.09 2a9p s MET 77 CO 0.02 0.14 0.16 -1.17 -0.01 0.00 0.00 175.02 174.15 2a9p s LEU 78 N -2.37 0.24 0.02 -0.03 0.20 -0.06 -0.34 118.68 116.34 2a9p s LEU 78 Ca 0.54 -0.76 -0.12 0.00 0.69 0.00 0.00 54.13 54.48 2a9p s LEU 78 Cb -0.18 -0.05 0.01 0.00 -0.43 0.00 0.00 46.19 45.54 2a9p s LEU 78 CO 0.23 -0.38 0.25 -0.55 -0.29 0.00 0.00 176.35 175.60 2a9p s SER 79 N 2.19 -0.07 0.50 3.68 0.15 -0.66 -3.77 113.70 115.73 2a9p s SER 79 Ca 0.06 -0.18 0.29 0.00 0.70 0.00 0.00 55.95 56.82 2a9p s SER 79 Cb -0.16 0.30 1.24 0.00 -1.71 0.00 0.00 66.02 65.69 2a9p s SER 79 CO -0.22 -0.52 1.95 0.00 1.20 0.00 0.00 173.24 175.65 2a9p h ALA 80 N 3.61 1.06 -1.81 5.45 0.00 -1.88 0.90 119.26 126.58 2a9p h ALA 80 Ca -0.31 -0.11 -0.55 0.00 0.00 0.00 0.00 54.91 53.94 2a9p h ALA 80 Cb 1.19 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.94 2a9p h ALA 80 CO 0.45 0.15 1.39 0.15 0.00 0.00 0.00 179.25 181.38 2a9p s LYS 81 N -3.78 3.01 -0.07 0.00 -0.14 -1.26 -4.76 119.74 112.74 2a9p s LYS 81 Ca -0.00 1.46 0.11 0.00 -1.36 0.00 0.00 55.97 56.18 2a9p s LYS 81 Cb 0.10 -4.32 0.16 0.00 -1.68 0.00 0.00 37.83 32.10 2a9p s LYS 81 CO 0.58 -2.24 1.06 -0.40 -0.76 0.00 0.00 175.35 173.59 2a9p n ASP 82 N 11.77 1.84 -4.87 2.83 5.75 -1.26 -4.75 116.55 127.85 2a9p n ASP 82 Ca 0.26 -2.56 -0.31 0.00 -0.01 0.00 0.00 54.79 52.17 2a9p n ASP 82 Cb 0.48 -0.27 0.03 0.00 -1.03 0.00 0.00 41.12 40.33 2a9p n ASP 82 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 2a9p s SER 83 N -2.01 5.89 0.18 -1.12 1.04 -1.26 -4.88 113.70 111.53 2a9p s SER 83 Ca 0.18 1.34 -0.14 0.00 0.48 0.00 0.00 55.95 57.80 2a9p s SER 83 Cb 0.16 -2.29 0.16 0.00 0.10 0.00 0.00 66.02 64.15 2a9p s SER 83 CO 0.02 -1.08 1.69 -0.08 0.98 0.00 0.00 173.24 174.77 2a9p h GLU 84 N -0.47 0.12 -0.35 4.02 4.81 -2.00 -1.73 114.58 118.99 2a9p h GLU 84 Ca -0.44 -0.01 0.05 0.00 -0.13 0.00 0.00 59.36 58.83 2a9p h GLU 84 Cb 1.21 -0.03 -0.04 0.00 0.63 0.00 0.00 28.75 30.52 2a9p h GLU 84 CO 0.62 0.08 0.08 0.35 -0.73 0.00 0.00 179.01 179.42 2a9p h PHE 85 N 0.12 0.14 -0.11 0.92 3.57 -1.99 -0.81 116.94 118.79 2a9p h PHE 85 Ca 0.23 0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.78 2a9p h PHE 85 Cb 0.34 -0.01 -0.03 0.00 2.79 0.00 0.00 35.95 39.04 2a9p h PHE 85 CO -0.29 0.04 -0.05 -0.44 -2.23 0.00 0.00 178.31 175.34 2a9p h ASP 86 N 0.21 -0.18 -0.10 0.41 3.45 -1.73 -0.03 116.42 118.46 2a9p h ASP 86 Ca 0.16 0.04 -0.01 0.00 0.43 0.00 0.00 57.03 57.66 2a9p h ASP 86 Cb 0.17 0.10 -0.00 0.00 -0.56 0.00 0.00 39.33 39.04 2a9p h ASP 86 CO -0.20 -0.07 0.03 0.11 -1.57 0.00 0.00 179.24 177.54 2a9p h LYS 87 N -0.04 0.16 -0.05 3.56 1.57 -1.20 -1.20 116.57 119.37 2a9p h LYS 87 Ca 0.06 -0.04 0.01 0.00 -1.87 0.00 0.00 60.65 58.82 2a9p h LYS 87 Cb 0.14 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 2a9p h LYS 87 CO -0.14 0.31 -0.02 0.28 -0.57 0.00 0.00 179.45 179.32 2a9p h VAL 88 N -0.02 0.94 -0.09 0.50 2.07 -1.01 -0.70 116.25 117.94 2a9p h VAL 88 Ca 0.03 0.00 -0.15 0.00 0.82 0.00 0.00 66.70 67.40 2a9p h VAL 88 Cb 0.22 0.94 -0.01 0.00 -1.52 0.00 0.00 31.29 30.91 2a9p h VAL 88 CO -0.00 0.00 -0.61 0.16 0.02 0.00 0.00 177.57 177.14 2a9p h ILE 89 N -0.01 1.37 -0.02 4.57 -2.65 -0.98 0.52 117.51 120.31 2a9p h ILE 89 Ca 0.03 -1.96 0.03 0.00 1.03 0.00 0.00 64.86 63.99 2a9p h ILE 89 Cb 0.05 1.97 -0.05 0.00 -2.05 0.00 0.00 36.82 36.74 2a9p h ILE 89 CO -0.06 0.58 -0.26 1.23 0.03 0.00 0.00 178.15 179.67 2a9p h GLY 90 N 1.37 -0.39 1.05 0.16 0.00 -1.03 0.74 103.07 104.97 2a9p h GLY 90 Ca -0.01 0.32 -0.08 0.00 0.00 0.00 0.00 47.33 47.57 2a9p h GLY 90 CO 0.10 -0.21 0.10 1.41 0.00 0.00 0.00 176.54 177.94 2a9p h LEU 91 N -0.39 1.01 -1.52 3.11 3.38 -0.89 -2.42 115.31 117.59 2a9p h LEU 91 Ca 0.07 -0.26 -0.05 0.00 0.09 0.00 0.00 57.88 57.73 2a9p h LEU 91 Cb 0.49 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 2a9p h LEU 91 CO -0.25 1.01 -0.22 -0.33 0.09 0.00 0.00 178.44 178.75 2a9p h GLU 92 N 0.96 0.00 0.00 1.13 4.39 -0.55 -1.86 114.58 118.65 2a9p h GLU 92 Ca 0.19 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.89 2a9p h GLU 92 Cb 0.44 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.09 2a9p h GLU 92 CO 0.01 0.22 0.00 1.28 -1.16 0.00 0.00 179.01 179.36 2a9p n LEU 93 N -3.68 0.80 0.00 1.33 7.99 0.22 -4.93 117.00 118.72 2a9p n LEU 93 Ca -0.01 0.58 0.00 0.00 -0.01 0.00 0.00 56.01 56.57 2a9p n LEU 93 Cb 0.34 -0.35 0.00 0.00 -0.11 0.00 0.00 43.42 43.30 2a9p n LEU 93 CO 0.33 -0.22 0.00 0.61 -1.51 0.00 0.00 177.39 176.60 2a9p n GLY 94 N 1.18 -0.01 3.77 -0.72 0.00 -0.70 -4.46 105.19 104.25 2a9p n GLY 94 Ca 0.05 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.69 2a9p n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2a9p s ALA 95 N -0.52 3.08 -0.22 4.61 0.00 -0.93 -4.74 121.76 123.04 2a9p s ALA 95 Ca 0.00 1.11 0.22 0.00 0.00 0.00 0.00 51.96 53.28 2a9p s ALA 95 Cb 0.00 -3.45 -0.02 0.00 0.00 0.00 0.00 23.12 19.65 2a9p s ALA 95 CO 0.00 -0.81 1.01 -0.25 0.00 0.00 0.00 175.76 175.71 2a9p n ASP 96 N -0.27 0.86 -3.71 0.00 9.92 0.28 -4.52 116.55 119.11 2a9p n ASP 96 Ca 0.06 0.34 -0.10 0.00 -0.53 0.00 0.00 54.79 54.56 2a9p n ASP 96 Cb 0.46 0.40 -0.03 0.00 -0.64 0.00 0.00 41.12 41.30 2a9p n ASP 96 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 2a9p s ASP 97 N -5.43 -0.31 -0.19 -2.24 -1.08 -1.13 -5.03 116.67 101.27 2a9p s ASP 97 Ca -0.01 -0.44 -0.05 0.00 -0.52 0.00 0.00 52.55 51.53 2a9p s ASP 97 Cb 0.09 0.61 0.09 0.00 -1.46 0.00 0.00 42.92 42.26 2a9p s ASP 97 CO 0.79 -1.09 0.37 -0.47 0.52 0.00 0.00 175.17 175.29 2a9p s TYR 98 N -3.86 -0.70 -0.01 -5.34 6.14 -1.26 -1.24 117.35 111.08 2a9p s TYR 98 Ca 0.08 1.21 0.08 0.00 0.64 0.00 0.00 57.07 59.08 2a9p s TYR 98 Cb -0.02 0.14 -0.02 0.00 0.42 0.00 0.00 41.96 42.48 2a9p s TYR 98 CO -0.03 -0.51 -0.25 0.08 0.64 0.00 0.00 175.55 175.49 2a9p s VAL 99 N 2.55 2.20 0.16 3.14 1.01 0.54 -4.96 120.40 125.03 2a9p s VAL 99 Ca 0.02 -1.11 0.03 0.00 0.00 0.00 0.00 61.98 60.92 2a9p s VAL 99 Cb -0.13 -1.79 -0.03 0.00 0.00 0.00 0.00 36.38 34.43 2a9p s VAL 99 CO -0.12 0.54 0.28 0.42 0.00 0.00 0.00 175.10 176.22 2a9p s THR 100 N -0.66 5.25 -0.06 3.92 -4.23 -1.26 -1.66 115.64 116.94 2a9p s THR 100 Ca 0.11 -0.75 -0.11 0.00 -1.18 0.00 0.00 61.69 59.75 2a9p s THR 100 Cb -0.10 -3.72 -0.05 0.00 1.34 0.00 0.00 72.50 69.97 2a9p s THR 100 CO -0.00 -0.12 0.29 -0.54 -0.54 0.00 0.00 174.62 173.70 2a9p s LYS 101 N -3.31 3.72 0.47 3.99 1.02 0.31 -3.62 119.74 122.32 2a9p s LYS 101 Ca 0.34 0.17 -0.22 0.00 0.02 0.00 0.00 55.97 56.28 2a9p s LYS 101 Cb -0.11 -3.21 -0.08 0.00 -0.52 0.00 0.00 37.83 33.91 2a9p s LYS 101 CO 0.28 0.72 1.09 -1.25 -0.92 0.00 0.00 175.35 175.27 2a9p s PRO 102 N -1.01 3.78 0.17 -1.68 0.04 -1.26 -4.56 135.00 130.48 2a9p s PRO 102 Ca 0.20 1.55 0.08 0.00 0.04 0.00 0.00 61.00 62.86 2a9p s PRO 102 Cb -0.15 -2.25 -0.04 0.00 0.04 0.00 0.00 34.50 32.10 2a9p s PRO 102 CO 0.09 -0.48 -0.18 -0.59 0.04 0.00 0.00 177.00 175.89 2a9p s PHE 103 N -1.76 1.78 -0.02 0.56 -0.12 -1.24 -5.12 117.98 112.06 2a9p s PHE 103 Ca 0.65 -0.48 -0.30 0.00 -0.05 0.00 0.00 56.93 56.75 2a9p s PHE 103 Cb -0.22 -0.88 -0.03 0.00 -0.63 0.00 0.00 43.02 41.26 2a9p s PHE 103 CO 0.27 0.32 1.00 0.45 -0.05 0.00 0.00 175.22 177.20 2a9p s SER 104 N -2.71 7.33 0.17 1.98 0.15 -1.26 -4.97 113.70 114.38 2a9p s SER 104 Ca 0.16 1.65 -0.15 0.00 0.70 0.00 0.00 55.95 58.31 2a9p s SER 104 Cb -0.05 -2.57 0.06 0.00 -1.71 0.00 0.00 66.02 61.76 2a9p s SER 104 CO 0.06 -0.31 1.82 0.78 1.20 0.00 0.00 173.24 176.79 2a9p h ASN 105 N 6.87 0.49 -0.57 5.45 -0.26 -1.99 -0.57 115.58 125.00 2a9p h ASN 105 Ca -0.39 -0.00 -0.02 0.00 -0.56 0.00 0.00 56.30 55.33 2a9p h ASN 105 Cb 1.20 -0.11 -0.03 0.00 -1.06 0.00 0.00 38.32 38.33 2a9p h ASN 105 CO 0.78 0.35 0.29 0.03 -1.06 0.00 0.00 177.43 177.82 2a9p h ARG 106 N 0.60 0.81 -0.47 0.81 2.47 -1.99 -1.61 114.38 114.98 2a9p h ARG 106 Ca 0.18 -0.11 -0.03 0.00 -1.26 0.00 0.00 59.98 58.77 2a9p h ARG 106 Cb -0.02 -0.15 -0.02 0.00 -1.65 0.00 0.00 29.97 28.13 2a9p h ARG 106 CO -0.07 0.65 0.19 1.49 0.56 0.00 0.00 179.97 182.79 2a9p h GLU 107 N 0.77 0.71 -0.37 0.04 4.81 -1.93 -1.10 114.58 117.51 2a9p h GLU 107 Ca 0.20 -0.13 0.07 0.00 -0.13 0.00 0.00 59.36 59.37 2a9p h GLU 107 Cb 0.09 -0.12 -0.06 0.00 0.63 0.00 0.00 28.75 29.29 2a9p h GLU 107 CO -0.03 0.64 -0.04 1.25 -0.73 0.00 0.00 179.01 180.10 2a9p h LEU 108 N 0.62 -0.23 -0.35 1.64 6.46 -0.89 0.14 115.31 122.70 2a9p h LEU 108 Ca 0.16 0.10 0.08 0.00 -0.12 0.00 0.00 57.88 58.09 2a9p h LEU 108 Cb 0.19 0.18 -0.08 0.00 -0.73 0.00 0.00 40.66 40.22 2a9p h LEU 108 CO -0.01 -0.07 -0.23 1.56 -0.62 0.00 0.00 178.44 179.06 2a9p h GLN 109 N 0.06 -0.18 -0.70 1.25 1.08 -1.07 -0.29 115.11 115.26 2a9p h GLN 109 Ca 0.18 0.01 -0.03 0.00 -1.45 0.00 0.00 58.65 57.36 2a9p h GLN 109 Cb 0.26 0.04 -0.03 0.00 -0.05 0.00 0.00 27.48 27.70 2a9p h GLN 109 CO -0.34 -0.12 0.31 0.00 -0.95 0.00 0.00 178.83 177.74 2a9p h ALA 110 N 0.98 1.23 -0.24 3.87 0.00 -0.55 -0.89 119.26 123.67 2a9p h ALA 110 Ca 0.17 -0.15 -0.14 0.00 0.00 0.00 0.00 54.91 54.79 2a9p h ALA 110 Cb 0.46 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 2a9p h ALA 110 CO -0.46 0.58 -0.42 0.00 0.00 0.00 0.00 179.25 178.94 2a9p h ARG 111 N 1.00 0.58 -0.31 0.00 3.08 -0.14 0.11 114.38 118.69 2a9p h ARG 111 Ca 0.24 -0.30 -0.03 0.00 0.07 0.00 0.00 59.98 59.96 2a9p h ARG 111 Cb 0.14 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.18 2a9p h ARG 111 CO -0.03 0.89 0.07 0.28 -1.07 0.00 0.00 179.97 180.12 2a9p h VAL 112 N 0.47 1.22 -0.51 2.04 2.07 -0.70 -0.20 116.25 120.65 2a9p h VAL 112 Ca 0.04 -0.75 -0.00 0.00 0.82 0.00 0.00 66.70 66.81 2a9p h VAL 112 Cb 0.93 1.12 -0.02 0.00 -1.52 0.00 0.00 31.29 31.80 2a9p h VAL 112 CO 0.08 0.25 0.31 0.11 0.02 0.00 0.00 177.57 178.34 2a9p h LYS 113 N 0.34 0.69 -0.98 1.57 1.57 -0.99 -1.15 116.57 117.63 2a9p h LYS 113 Ca 0.10 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 2a9p h LYS 113 Cb 0.30 -0.14 -0.05 0.00 0.08 0.00 0.00 32.23 32.42 2a9p h LYS 113 CO 0.00 0.50 0.63 0.00 -0.57 0.00 0.00 179.45 180.01 2a9p h ALA 114 N 1.15 1.26 -0.15 3.86 0.00 -0.42 -0.70 119.26 124.26 2a9p h ALA 114 Ca 0.18 -0.08 -0.13 0.00 0.00 0.00 0.00 54.91 54.87 2a9p h ALA 114 Cb -0.01 -0.40 -0.01 0.00 0.00 0.00 0.00 17.79 17.37 2a9p h ALA 114 CO -0.03 0.67 -0.49 1.25 0.00 0.00 0.00 179.25 180.65 2a9p h LEU 115 N 1.34 0.43 -0.62 0.00 5.85 -0.79 -2.53 115.31 118.99 2a9p h LEU 115 Ca 0.36 -0.21 -0.13 0.00 0.84 0.00 0.00 57.88 58.74 2a9p h LEU 115 Cb -0.11 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 40.78 2a9p h LEU 115 CO -0.07 0.85 -0.34 -0.07 -0.34 0.00 0.00 178.44 178.46 2a9p h LEU 116 N 0.31 0.74 -0.50 2.25 3.38 -0.91 -3.25 115.31 117.34 2a9p h LEU 116 Ca 0.02 -0.31 -0.02 0.00 0.09 0.00 0.00 57.88 57.66 2a9p h LEU 116 Cb 0.97 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.49 2a9p h LEU 116 CO 0.08 1.02 0.24 -0.09 0.09 0.00 0.00 178.44 179.78 2a9p h ARG 117 N 0.59 0.72 -0.03 1.13 2.43 -0.96 -3.51 114.38 114.75 2a9p h ARG 117 Ca 0.06 -0.11 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 2a9p h ARG 117 Cb 0.87 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 30.29 2a9p h ARG 117 CO 0.08 0.61 0.00 -2.13 -1.51 0.00 0.00 179.97 177.01