#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a5d n ASP 2 N 0.00 1.75 -4.69 6.41 2.03 -1.26 -4.47 116.55 116.32 2a5d n ASP 2 Ca 0.00 -3.17 -0.30 0.00 0.52 0.00 0.00 54.79 51.84 2a5d n ASP 2 Cb 0.00 -0.43 0.15 0.00 -0.72 0.00 0.00 41.12 40.12 2a5d n ASP 2 CO 0.00 0.00 0.00 -1.81 -1.92 0.00 0.00 177.20 173.47 2a5d s ASP 3 N -2.73 3.28 0.27 1.67 1.01 -1.26 -4.98 116.67 113.93 2a5d s ASP 3 Ca 0.31 1.66 0.10 0.00 0.71 0.00 0.00 52.55 55.33 2a5d s ASP 3 Cb 0.29 -2.31 -0.05 0.00 1.01 0.00 0.00 42.92 41.86 2a5d s ASP 3 CO -0.03 -2.79 -0.17 -0.54 0.21 0.00 0.00 175.17 171.86 2a5d s LYS 4 N -4.83 1.62 0.29 8.23 -0.14 -1.26 -3.80 119.74 119.84 2a5d s LYS 4 Ca 0.64 -1.75 0.07 0.00 -1.36 0.00 0.00 55.97 53.57 2a5d s LYS 4 Cb -0.19 -1.59 -0.06 0.00 -1.68 0.00 0.00 37.83 34.31 2a5d s LYS 4 CO 0.58 0.26 -0.07 -0.51 -0.76 0.00 0.00 175.35 174.84 2a5d s LEU 5 N -3.48 2.54 -0.04 3.17 1.43 0.42 -4.86 118.68 117.85 2a5d s LEU 5 Ca 0.29 -1.18 -0.01 0.00 -1.03 0.00 0.00 54.13 52.20 2a5d s LEU 5 Cb -0.03 -0.73 0.03 0.00 0.03 0.00 0.00 46.19 45.50 2a5d s LEU 5 CO 0.13 -0.30 0.02 -0.31 0.23 0.00 0.00 176.35 176.12 2a5d s TYR 6 N -2.91 0.35 -0.19 0.29 1.51 -0.38 -0.46 117.35 115.55 2a5d s TYR 6 Ca 0.30 0.02 0.01 0.00 -1.01 0.00 0.00 57.07 56.38 2a5d s TYR 6 Cb 0.03 -0.54 0.04 0.00 -0.11 0.00 0.00 41.96 41.38 2a5d s TYR 6 CO 0.13 -0.20 -0.09 0.50 -1.11 0.00 0.00 175.55 174.77 2a5d s ARG 7 N 1.60 1.88 0.14 -0.62 3.52 -0.16 0.11 118.95 125.42 2a5d s ARG 7 Ca -0.02 -0.77 -0.31 0.00 -0.13 0.00 0.00 55.73 54.50 2a5d s ARG 7 Cb -0.13 -2.33 -0.08 0.00 -1.56 0.00 0.00 34.95 30.85 2a5d s ARG 7 CO -0.03 -0.43 1.31 0.00 -0.81 0.00 0.00 175.30 175.34 2a5d s ALA 8 N 1.45 3.52 -0.18 6.12 0.00 -1.26 -0.81 121.76 130.60 2a5d s ALA 8 Ca -0.01 1.05 -0.15 0.00 0.00 0.00 0.00 51.96 52.85 2a5d s ALA 8 Cb -0.16 -3.49 0.05 0.00 0.00 0.00 0.00 23.12 19.52 2a5d s ALA 8 CO -0.08 -0.53 0.47 0.34 0.00 0.00 0.00 175.76 175.96 2a5d s ASP 9 N 0.76 -0.52 0.26 0.00 -1.08 -0.03 -4.93 116.67 111.12 2a5d s ASP 9 Ca 0.60 0.97 0.26 0.00 -0.52 0.00 0.00 52.55 53.86 2a5d s ASP 9 Cb -0.35 0.95 0.80 0.00 -1.46 0.00 0.00 42.92 42.86 2a5d s ASP 9 CO 0.33 -0.17 1.75 0.77 0.52 0.00 0.00 175.17 178.37 2a5d h SER 10 N 5.82 0.00 -3.27 -0.34 4.64 -1.91 -0.89 113.55 117.59 2a5d h SER 10 Ca -0.29 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.49 2a5d h SER 10 Cb 1.18 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.26 2a5d h SER 10 CO 0.22 0.00 0.49 -0.13 -0.87 0.00 0.00 176.83 176.54 2a5d s ARG 11 N -3.16 4.48 0.78 4.77 0.52 -1.26 -4.78 118.95 120.29 2a5d s ARG 11 Ca 0.09 1.61 -0.11 0.00 -0.52 0.00 0.00 55.73 56.80 2a5d s ARG 11 Cb 0.11 -3.41 0.06 0.00 0.52 0.00 0.00 34.95 32.22 2a5d s ARG 11 CO 0.57 -0.19 1.08 -1.25 0.02 0.00 0.00 175.30 175.54 2a5d s PRO 12 N 1.15 2.27 0.45 3.54 0.04 -1.26 -4.76 135.00 136.42 2a5d s PRO 12 Ca 0.55 0.80 0.15 0.00 0.04 0.00 0.00 61.00 62.54 2a5d s PRO 12 Cb -0.25 -1.93 1.08 0.00 0.04 0.00 0.00 34.50 33.44 2a5d s PRO 12 CO 0.28 -1.53 2.00 -1.35 0.04 0.00 0.00 177.00 176.43 2a5d h PRO 13 N -1.03 0.33 -0.02 0.56 0.11 -1.99 -1.15 132.00 128.82 2a5d h PRO 13 Ca -0.46 -0.02 -0.16 0.00 0.11 0.00 0.00 66.00 65.47 2a5d h PRO 13 Cb 1.25 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 32.27 2a5d h PRO 13 CO 0.57 0.22 -0.71 -0.44 -0.21 0.00 0.00 178.00 177.43 2a5d h ASP 14 N 0.34 0.15 -0.12 -2.05 3.32 -1.99 -0.03 116.42 116.04 2a5d h ASP 14 Ca 0.25 -0.10 -0.05 0.00 0.02 0.00 0.00 57.03 57.15 2a5d h ASP 14 Cb 0.54 -0.04 -0.00 0.00 0.22 0.00 0.00 39.33 40.04 2a5d h ASP 14 CO -0.06 0.81 -0.13 -0.08 -1.72 0.00 0.00 179.24 178.06 2a5d h GLU 15 N 0.08 0.30 -0.61 3.56 4.81 -1.61 -1.71 114.58 119.40 2a5d h GLU 15 Ca -0.02 -0.16 0.07 0.00 -0.13 0.00 0.00 59.36 59.12 2a5d h GLU 15 Cb 1.26 0.01 -0.06 0.00 0.63 0.00 0.00 28.75 30.59 2a5d h GLU 15 CO 0.10 0.71 0.30 0.82 -0.73 0.00 0.00 179.01 180.21 2a5d h ILE 16 N -0.11 0.90 -0.69 2.32 1.08 -1.16 0.00 117.51 119.86 2a5d h ILE 16 Ca 0.02 -0.19 0.02 0.00 -0.39 0.00 0.00 64.86 64.32 2a5d h ILE 16 Cb 0.66 0.31 -0.04 0.00 -3.07 0.00 0.00 36.82 34.68 2a5d h ILE 16 CO 0.03 0.10 0.44 0.50 -0.69 0.00 0.00 178.15 178.53 2a5d h LYS 17 N 0.54 0.86 -0.25 2.37 3.64 -0.83 -0.72 116.57 122.18 2a5d h LYS 17 Ca 0.28 -0.05 -0.09 0.00 -1.27 0.00 0.00 60.65 59.52 2a5d h LYS 17 Cb 0.25 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 31.86 2a5d h LYS 17 CO -0.22 0.57 -0.22 0.37 -2.27 0.00 0.00 179.45 177.68 2a5d h GLN 18 N 0.89 0.47 0.00 1.90 5.75 -0.74 -2.09 115.11 121.29 2a5d h GLN 18 Ca 0.26 -0.16 0.00 0.00 -0.15 0.00 0.00 58.65 58.60 2a5d h GLN 18 Cb -0.05 -0.03 0.00 0.00 1.07 0.00 0.00 27.48 28.47 2a5d h GLN 18 CO -0.08 0.66 0.00 0.43 -2.65 0.00 0.00 178.83 177.20 2a5d n SER 19 N -4.14 0.00 0.00 -0.69 7.64 -0.06 -4.89 113.62 111.48 2a5d n SER 19 Ca -0.00 0.18 0.00 0.00 1.01 0.00 0.00 58.87 60.06 2a5d n SER 19 Cb 0.38 -0.38 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 2a5d n SER 19 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2a5d n GLY 20 N 0.91 0.61 0.00 0.23 0.00 -0.79 -4.88 105.19 101.28 2a5d n GLY 20 Ca 0.09 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.74 2a5d n GLY 20 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2a5d n GLY 21 N -2.69 0.64 3.35 -0.02 0.00 -0.34 -1.92 105.19 104.21 2a5d n GLY 21 Ca 0.00 -2.11 -0.45 0.00 0.00 0.00 0.00 46.02 43.46 2a5d n GLY 21 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2a5d s LEU 22 N 0.00 5.71 0.15 0.99 1.43 -0.03 -4.75 118.68 122.18 2a5d s LEU 22 Ca 0.00 -1.57 -0.05 0.00 -1.03 0.00 0.00 54.13 51.48 2a5d s LEU 22 Cb 0.00 -2.27 -0.06 0.00 0.03 0.00 0.00 46.19 43.90 2a5d s LEU 22 CO 0.00 -1.01 0.39 -0.04 0.23 0.00 0.00 176.35 175.92 2a5d s MET 23 N 2.25 3.62 0.66 1.70 -1.94 -1.26 -1.26 119.30 123.06 2a5d s MET 23 Ca 0.08 -0.08 -0.13 0.00 -1.71 0.00 0.00 55.69 53.85 2a5d s MET 23 Cb -0.26 -2.83 -0.01 0.00 2.01 0.00 0.00 34.83 33.74 2a5d s MET 23 CO 0.05 0.45 1.06 -1.25 -0.01 0.00 0.00 175.02 175.32 2a5d s PRO 24 N -2.71 3.02 0.40 2.03 0.04 -1.26 -4.92 135.00 131.60 2a5d s PRO 24 Ca 0.41 1.09 0.12 0.00 0.04 0.00 0.00 61.00 62.67 2a5d s PRO 24 Cb -0.12 -2.00 0.95 0.00 0.04 0.00 0.00 34.50 33.37 2a5d s PRO 24 CO 0.25 -1.04 1.93 -0.09 0.04 0.00 0.00 177.00 178.09 2a5d h ARG 25 N -0.26 0.51 0.00 4.56 9.65 -1.81 -1.62 114.38 125.42 2a5d h ARG 25 Ca -0.45 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.40 2a5d h ARG 25 Cb 1.22 -0.12 0.00 0.00 -1.39 0.00 0.00 29.97 29.68 2a5d h ARG 25 CO 0.56 0.34 0.00 0.78 2.80 0.00 0.00 179.97 184.45 2a5d h GLY 26 N 0.53 0.00 0.59 2.80 0.00 -0.75 -3.16 103.07 103.08 2a5d h GLY 26 Ca 0.35 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.68 2a5d h GLY 26 CO -0.12 0.00 -0.01 -1.61 0.00 0.00 0.00 176.54 174.80 2a5d h GLN 27 N 0.00 0.05 -0.39 4.80 4.15 -1.52 -0.76 115.11 121.44 2a5d h GLN 27 Ca 0.00 -0.02 -0.04 0.00 0.77 0.00 0.00 58.65 59.35 2a5d h GLN 27 Cb 0.52 -0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.19 2a5d h GLN 27 CO 0.00 0.47 0.05 0.66 -1.93 0.00 0.00 178.83 178.08 2a5d h SER 28 N -0.37 0.55 -0.67 -0.69 4.64 -1.70 -2.12 113.55 113.19 2a5d h SER 28 Ca 0.00 -0.09 -0.05 0.00 -0.47 0.00 0.00 61.79 61.18 2a5d h SER 28 Cb 0.45 -0.14 -0.03 0.00 -0.31 0.00 0.00 62.40 62.37 2a5d h SER 28 CO 0.00 0.58 0.23 -0.08 -0.87 0.00 0.00 176.83 176.69 2a5d h GLU 29 N 0.57 1.03 0.15 4.77 4.57 -1.50 0.31 114.58 124.49 2a5d h GLU 29 Ca 0.13 -0.21 -0.01 0.00 -1.18 0.00 0.00 59.36 58.09 2a5d h GLU 29 Cb 0.28 -0.15 0.00 0.00 -0.16 0.00 0.00 28.75 28.72 2a5d h GLU 29 CO 0.00 0.88 -0.07 -0.92 -1.18 0.00 0.00 179.01 177.72 2a5d h TYR 30 N 0.96 -0.19 -0.60 0.92 3.20 -0.77 0.14 116.97 120.63 2a5d h TYR 30 Ca 0.22 -0.00 -0.05 0.00 3.14 0.00 0.00 58.73 62.03 2a5d h TYR 30 Cb 0.27 0.06 -0.03 0.00 1.54 0.00 0.00 36.73 38.57 2a5d h TYR 30 CO 0.02 -0.02 0.17 0.74 -1.64 0.00 0.00 178.16 177.43 2a5d h PHE 31 N -0.33 0.93 0.08 -3.82 0.05 -1.16 0.44 116.94 113.13 2a5d h PHE 31 Ca -0.02 -0.08 -0.27 0.00 3.82 0.00 0.00 57.97 61.42 2a5d h PHE 31 Cb 0.26 -0.27 0.01 0.00 2.00 0.00 0.00 35.95 37.95 2a5d h PHE 31 CO -0.03 0.76 -1.13 -0.44 -0.18 0.00 0.00 178.31 177.29 2a5d h ASP 32 N 0.88 0.65 0.00 2.17 3.32 -0.30 -3.41 116.42 119.74 2a5d h ASP 32 Ca 0.20 -0.59 0.00 0.00 0.02 0.00 0.00 57.03 56.66 2a5d h ASP 32 Cb 0.28 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.62 2a5d h ASP 32 CO -0.01 1.41 -0.04 -2.11 -1.72 0.00 0.00 179.24 176.78 2a5d n ARG 33 N -3.72 0.05 -0.70 3.56 1.85 0.47 -5.03 116.66 113.14 2a5d n ARG 33 Ca -0.10 -0.56 0.00 0.00 -1.00 0.00 0.00 57.85 56.19 2a5d n ARG 33 Cb 0.94 -0.51 0.00 0.00 -1.05 0.00 0.00 32.46 31.84 2a5d n ARG 33 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2a5d n GLY 34 N -0.01 0.92 3.73 2.89 0.00 0.15 -4.97 105.19 107.89 2a5d n GLY 34 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 2a5d n GLY 34 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2a5d s THR 35 N -3.43 2.68 0.37 2.61 2.01 -1.24 -4.90 115.64 113.73 2a5d s THR 35 Ca 0.00 0.51 -0.26 0.00 0.31 0.00 0.00 61.69 62.25 2a5d s THR 35 Cb 0.00 -3.32 -0.09 0.00 0.01 0.00 0.00 72.50 69.10 2a5d s THR 35 CO 0.00 0.05 1.13 -1.10 -0.69 0.00 0.00 174.62 174.01 2a5d s GLN 36 N 0.71 4.22 0.44 4.92 -1.52 -1.26 -3.76 119.66 123.42 2a5d s GLN 36 Ca 0.67 1.77 -0.24 0.00 -1.95 0.00 0.00 55.36 55.60 2a5d s GLN 36 Cb -0.43 -2.77 -0.08 0.00 -0.22 0.00 0.00 33.01 29.52 2a5d s GLN 36 CO 0.35 -0.15 1.20 -1.64 -0.25 0.00 0.00 175.29 174.79 2a5d s MET 37 N -2.14 3.83 -0.29 2.91 -1.94 -1.26 -4.93 119.30 115.47 2a5d s MET 37 Ca 0.54 1.88 -0.17 0.00 -1.71 0.00 0.00 55.69 56.23 2a5d s MET 37 Cb -0.29 -2.52 -0.02 0.00 2.01 0.00 0.00 34.83 34.00 2a5d s MET 37 CO 0.37 -0.52 0.46 1.21 -0.01 0.00 0.00 175.02 176.52 2a5d s ASN 38 N -1.18 6.32 -0.23 3.03 3.84 1.00 -4.88 114.94 122.84 2a5d s ASN 38 Ca 0.61 0.25 0.13 0.00 0.21 0.00 0.00 52.86 54.07 2a5d s ASN 38 Cb -0.31 -2.25 0.52 0.00 -0.55 0.00 0.00 41.25 38.65 2a5d s ASN 38 CO 0.39 -0.30 1.44 2.30 -2.79 0.00 0.00 177.10 178.13 2a5d n ILE 39 N 5.22 2.40 -2.17 -5.21 -5.35 -1.26 -1.62 119.36 111.37 2a5d n ILE 39 Ca -0.06 -2.23 -0.42 0.00 -0.27 0.00 0.00 62.75 59.78 2a5d n ILE 39 Cb 0.50 -0.29 -0.03 0.00 -1.74 0.00 0.00 39.64 38.09 2a5d n ILE 39 CO 0.00 0.00 0.00 0.20 -1.76 0.00 0.00 176.55 174.99 2a5d s ASN 40 N -2.19 5.91 0.31 7.28 0.01 -1.26 -4.83 114.94 120.18 2a5d s ASN 40 Ca 0.43 0.79 0.04 0.00 -0.71 0.00 0.00 52.86 53.41 2a5d s ASN 40 Cb 0.37 -2.53 0.63 0.00 0.41 0.00 0.00 41.25 40.13 2a5d s ASN 40 CO 0.05 -1.78 1.87 0.25 -1.51 0.00 0.00 177.10 175.98 2a5d h LEU 41 N 13.78 0.83 -0.78 0.60 5.85 -0.96 -1.51 115.31 133.11 2a5d h LEU 41 Ca -0.29 0.03 0.04 0.00 0.84 0.00 0.00 57.88 58.50 2a5d h LEU 41 Cb 1.14 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 41.98 2a5d h LEU 41 CO 1.11 0.47 0.49 0.22 -0.34 0.00 0.00 178.44 180.39 2a5d h TYR 42 N 0.91 0.91 -0.60 1.25 3.20 -0.90 -0.37 116.97 121.37 2a5d h TYR 42 Ca 0.45 0.03 -0.10 0.00 3.14 0.00 0.00 58.73 62.25 2a5d h TYR 42 Cb 0.47 -0.30 -0.02 0.00 1.54 0.00 0.00 36.73 38.43 2a5d h TYR 42 CO -0.00 0.50 -0.00 -0.44 -1.64 0.00 0.00 178.16 176.57 2a5d h ASP 43 N 0.93 1.04 -0.36 -2.11 3.32 -1.54 -0.22 116.42 117.49 2a5d h ASP 43 Ca 0.32 -0.30 0.02 0.00 0.02 0.00 0.00 57.03 57.09 2a5d h ASP 43 Cb 0.07 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.31 2a5d h ASP 43 CO -0.13 1.09 0.20 -0.74 -1.72 0.00 0.00 179.24 177.94 2a5d h HIS 44 N 0.97 0.37 -0.31 4.55 -0.00 -0.94 0.27 115.15 120.06 2a5d h HIS 44 Ca 0.17 0.01 -0.05 0.00 -0.00 0.00 0.00 60.37 60.51 2a5d h HIS 44 Cb 0.56 -0.12 -0.01 0.00 -0.00 0.00 0.00 27.41 27.84 2a5d h HIS 44 CO 0.04 0.21 0.00 0.00 -0.00 0.00 0.00 177.93 178.18 2a5d h ALA 45 N 1.17 0.42 0.01 5.26 0.00 -0.73 -3.25 119.26 122.13 2a5d h ALA 45 Ca 0.14 -0.23 -0.19 0.00 0.00 0.00 0.00 54.91 54.63 2a5d h ALA 45 Cb 0.02 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 2a5d h ALA 45 CO -0.08 0.17 -0.87 0.07 0.00 0.00 0.00 179.25 178.54 2a5d h ARG 46 N 0.34 0.12 0.00 0.00 0.11 -1.02 -3.44 114.38 110.50 2a5d h ARG 46 Ca 0.09 -0.14 0.00 0.00 0.10 0.00 0.00 59.98 60.03 2a5d h ARG 46 Cb 0.44 0.04 0.00 0.00 1.11 0.00 0.00 29.97 31.56 2a5d h ARG 46 CO 0.02 0.92 0.00 0.41 0.10 0.00 0.00 179.97 181.41 2a5d n GLY 47 N 0.90 0.61 3.90 0.08 0.00 0.08 -4.65 105.19 106.11 2a5d n GLY 47 Ca -0.03 -0.76 -0.29 0.00 0.00 0.00 0.00 46.02 44.95 2a5d n GLY 47 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2a5d s THR 48 N 0.00 2.84 0.16 2.61 -1.32 0.39 -4.79 115.64 115.54 2a5d s THR 48 Ca 0.00 0.14 -0.25 0.00 -1.21 0.00 0.00 61.69 60.37 2a5d s THR 48 Cb 0.00 -3.25 0.04 0.00 -1.51 0.00 0.00 72.50 67.78 2a5d s THR 48 CO 0.00 -0.30 1.58 1.56 -2.21 0.00 0.00 174.62 175.24 2a5d h GLN 49 N -0.71 -0.25 0.00 7.08 7.50 -1.91 0.81 115.11 127.63 2a5d h GLN 49 Ca -0.45 0.02 0.00 0.00 0.50 0.00 0.00 58.65 58.71 2a5d h GLN 49 Cb 1.29 0.06 0.00 0.00 0.05 0.00 0.00 27.48 28.88 2a5d h GLN 49 CO 0.64 -0.17 0.00 0.25 -1.50 0.00 0.00 178.83 178.05 2a5d n THR 50 N -5.42 0.31 -0.81 -0.54 -2.24 -1.26 -4.86 114.28 99.47 2a5d n THR 50 Ca 0.01 0.08 0.00 0.00 -2.27 0.00 0.00 64.05 61.87 2a5d n THR 50 Cb 0.35 -1.02 0.00 0.00 -2.10 0.00 0.00 70.33 67.56 2a5d n THR 50 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2a5d n GLY 51 N -0.85 0.62 3.99 3.38 0.00 0.28 -5.06 105.19 107.55 2a5d n GLY 51 Ca 0.02 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.81 2a5d n GLY 51 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2a5d s PHE 52 N -2.11 1.74 0.13 1.61 0.40 -1.26 -4.45 117.98 114.03 2a5d s PHE 52 Ca 0.00 -0.24 -0.30 0.00 -0.60 0.00 0.00 56.93 55.79 2a5d s PHE 52 Cb 0.00 -2.96 -0.07 0.00 0.51 0.00 0.00 43.02 40.50 2a5d s PHE 52 CO 0.00 -1.61 1.21 0.08 0.70 0.00 0.00 175.22 175.59 2a5d s VAL 53 N -3.10 3.76 0.36 -0.44 1.01 -1.26 0.15 120.40 120.88 2a5d s VAL 53 Ca 0.65 1.37 -0.26 0.00 0.00 0.00 0.00 61.98 63.74 2a5d s VAL 53 Cb -0.06 -3.88 -0.09 0.00 0.00 0.00 0.00 36.38 32.36 2a5d s VAL 53 CO 0.44 0.17 1.13 -0.13 0.00 0.00 0.00 175.10 176.70 2a5d s ARG 54 N 0.39 4.28 0.46 2.72 0.52 -1.26 -4.80 118.95 121.26 2a5d s ARG 54 Ca 0.56 1.77 0.19 0.00 -0.52 0.00 0.00 55.73 57.73 2a5d s ARG 54 Cb -0.31 -2.82 1.11 0.00 0.52 0.00 0.00 34.95 33.44 2a5d s ARG 54 CO 0.33 -0.11 1.99 0.45 0.02 0.00 0.00 175.30 177.98 2a5d h HIS 55 N 3.01 0.00 -0.54 -0.53 3.86 -1.95 -2.53 115.15 116.46 2a5d h HIS 55 Ca -0.48 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.73 2a5d h HIS 55 Cb 1.22 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.69 2a5d h HIS 55 CO 0.57 0.20 0.00 -0.40 0.86 0.00 0.00 177.93 179.16 2a5d n ASP 56 N -4.01 5.14 -4.67 2.45 3.85 -1.26 -3.05 116.55 115.00 2a5d n ASP 56 Ca -0.02 -2.79 -0.44 0.00 -0.71 0.00 0.00 54.79 50.83 2a5d n ASP 56 Cb 0.28 -0.62 -0.03 0.00 -1.35 0.00 0.00 41.12 39.39 2a5d n ASP 56 CO 0.00 0.00 0.00 -0.67 -1.01 0.00 0.00 177.20 175.52 2a5d n ASP 57 N 0.59 3.92 -0.12 -1.12 4.64 -0.96 -0.00 116.55 123.50 2a5d n ASP 57 Ca 0.26 0.95 0.14 0.00 -1.38 0.00 0.00 54.79 54.76 2a5d n ASP 57 Cb 1.05 -1.49 0.55 0.00 -1.04 0.00 0.00 41.12 40.19 2a5d n ASP 57 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 2a5d n GLY 58 N 4.38 -0.94 3.61 0.27 0.00 -0.64 -0.57 105.19 111.30 2a5d n GLY 58 Ca 0.20 -0.28 -0.27 0.00 0.00 0.00 0.00 46.02 45.67 2a5d n GLY 58 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2a5d s TYR 59 N -2.54 2.72 -0.21 1.61 1.51 -1.26 -0.29 117.35 118.89 2a5d s TYR 59 Ca 0.26 -0.19 0.00 0.00 -1.01 0.00 0.00 57.07 56.14 2a5d s TYR 59 Cb 0.20 -1.33 0.02 0.00 -0.11 0.00 0.00 41.96 40.75 2a5d s TYR 59 CO 0.50 0.51 -0.13 0.08 -1.11 0.00 0.00 175.55 175.40 2a5d s VAL 60 N -1.70 2.43 0.33 0.71 1.01 -0.50 -4.64 120.40 118.04 2a5d s VAL 60 Ca 0.26 -1.02 -0.27 0.00 0.00 0.00 0.00 61.98 60.94 2a5d s VAL 60 Cb -0.09 -2.15 -0.09 0.00 0.00 0.00 0.00 36.38 34.05 2a5d s VAL 60 CO 0.16 0.35 1.10 -0.44 0.00 0.00 0.00 175.10 176.28 2a5d s SER 61 N 1.29 7.03 0.11 3.32 0.01 -1.26 -0.10 113.70 124.10 2a5d s SER 61 Ca 0.02 2.23 0.01 0.00 1.31 0.00 0.00 55.95 59.52 2a5d s SER 61 Cb -0.15 -2.62 -0.04 0.00 0.21 0.00 0.00 66.02 63.42 2a5d s SER 61 CO -0.09 -0.31 -0.04 0.42 0.41 0.00 0.00 173.24 173.63 2a5d s THR 62 N -1.32 0.59 0.24 1.44 -4.23 -0.27 -4.85 115.64 107.24 2a5d s THR 62 Ca 0.50 -1.93 0.06 0.00 -1.18 0.00 0.00 61.69 59.14 2a5d s THR 62 Cb -0.29 -1.77 -0.03 0.00 1.34 0.00 0.00 72.50 71.74 2a5d s THR 62 CO 0.38 -0.79 0.27 -0.44 -0.54 0.00 0.00 174.62 173.50 2a5d s SER 63 N -3.05 5.89 0.00 3.99 0.01 0.31 -1.49 113.70 119.35 2a5d s SER 63 Ca 0.14 -0.10 0.27 0.00 1.31 0.00 0.00 55.95 57.57 2a5d s SER 63 Cb 0.06 -1.61 0.84 0.00 0.21 0.00 0.00 66.02 65.52 2a5d s SER 63 CO -0.03 -0.05 1.62 2.30 0.41 0.00 0.00 173.24 177.49 2a5d n ILE 64 N -1.27 0.00 -3.95 1.44 -5.35 -1.26 -1.25 119.36 107.72 2a5d n ILE 64 Ca -0.08 -0.08 -0.09 0.00 -0.27 0.00 0.00 62.75 62.23 2a5d n ILE 64 Cb 0.57 0.20 -0.08 0.00 -1.74 0.00 0.00 39.64 38.60 2a5d n ILE 64 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 2a5d s SER 65 N -2.62 0.17 0.12 7.28 1.04 -1.26 -4.88 113.70 113.54 2a5d s SER 65 Ca 0.22 -0.83 -0.19 0.00 0.48 0.00 0.00 55.95 55.63 2a5d s SER 65 Cb 0.19 0.34 -0.07 0.00 0.10 0.00 0.00 66.02 66.59 2a5d s SER 65 CO 0.55 -0.76 1.73 0.25 0.98 0.00 0.00 173.24 175.99 2a5d h LEU 66 N 2.75 0.27 -0.58 2.42 5.85 -1.94 -1.59 115.31 122.49 2a5d h LEU 66 Ca -0.33 -0.06 0.07 0.00 0.84 0.00 0.00 57.88 58.39 2a5d h LEU 66 Cb 1.20 -0.07 -0.06 0.00 0.37 0.00 0.00 40.66 42.10 2a5d h LEU 66 CO 0.55 0.25 0.27 -0.09 -0.34 0.00 0.00 178.44 179.09 2a5d h ARG 67 N 0.26 0.49 -0.39 1.25 2.43 -1.99 -0.30 114.38 116.13 2a5d h ARG 67 Ca 0.08 -0.03 -0.09 0.00 -0.81 0.00 0.00 59.98 59.13 2a5d h ARG 67 Cb 0.04 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.46 2a5d h ARG 67 CO -0.01 0.32 -0.11 0.77 -1.51 0.00 0.00 179.97 179.43 2a5d h SER 68 N 0.51 0.77 -0.54 -3.80 0.02 -1.92 -1.94 113.55 106.65 2a5d h SER 68 Ca 0.27 -0.37 -0.03 0.00 -0.84 0.00 0.00 61.79 60.82 2a5d h SER 68 Cb 0.24 -0.21 -0.03 0.00 0.14 0.00 0.00 62.40 62.54 2a5d h SER 68 CO -0.22 0.97 0.24 0.00 -1.14 0.00 0.00 176.83 176.67 2a5d h ALA 69 N 0.83 1.32 -0.53 3.77 0.00 -0.99 -1.68 119.26 121.99 2a5d h ALA 69 Ca 0.10 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 2a5d h ALA 69 Cb 0.64 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 2a5d h ALA 69 CO 0.04 0.51 0.05 1.25 0.00 0.00 0.00 179.25 181.10 2a5d h HIS 70 N 0.83 0.90 -0.67 0.00 6.17 -0.73 -0.35 115.15 121.31 2a5d h HIS 70 Ca 0.20 -0.11 -0.07 0.00 0.71 0.00 0.00 60.37 61.10 2a5d h HIS 70 Cb 0.16 -0.25 -0.03 0.00 2.52 0.00 0.00 27.41 29.81 2a5d h HIS 70 CO 0.01 0.79 0.15 1.25 0.71 0.00 0.00 177.93 180.84 2a5d h LEU 71 N 0.80 1.02 -0.08 0.26 5.85 -0.85 0.61 115.31 122.92 2a5d h LEU 71 Ca 0.16 -0.24 0.01 0.00 0.84 0.00 0.00 57.88 58.65 2a5d h LEU 71 Cb 0.41 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.16 2a5d h LEU 71 CO 0.01 1.00 0.03 0.58 -0.34 0.00 0.00 178.44 179.73 2a5d h VAL 72 N 1.00 0.99 -0.73 1.05 2.07 -1.00 -1.04 116.25 118.59 2a5d h VAL 72 Ca 0.21 -0.03 0.05 0.00 0.82 0.00 0.00 66.70 67.74 2a5d h VAL 72 Cb 0.39 0.90 -0.05 0.00 -1.52 0.00 0.00 31.29 31.01 2a5d h VAL 72 CO 0.01 0.01 0.44 1.23 0.02 0.00 0.00 177.57 179.28 2a5d h GLY 73 N 0.08 1.07 1.05 2.17 0.00 -0.81 0.27 103.07 106.91 2a5d h GLY 73 Ca 0.03 -0.32 0.00 0.00 0.00 0.00 0.00 47.33 47.04 2a5d h GLY 73 CO -0.03 0.24 0.00 -1.06 0.00 0.00 0.00 176.54 175.69 2a5d n GLN 74 N -4.69 0.93 -0.03 4.80 6.02 0.18 -1.68 117.38 122.91 2a5d n GLN 74 Ca 0.09 0.00 -0.05 0.00 -0.01 0.00 0.00 57.00 57.03 2a5d n GLN 74 Cb 0.13 -1.50 -0.02 0.00 1.02 0.00 0.00 30.24 29.87 2a5d n GLN 74 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 2a5d n THR 75 N -1.03 1.38 0.12 5.09 -1.04 -0.46 -4.43 114.28 113.91 2a5d n THR 75 Ca 0.23 0.25 -0.19 0.00 -2.04 0.00 0.00 64.05 62.30 2a5d n THR 75 Cb 0.12 -2.02 -0.15 0.00 -1.82 0.00 0.00 70.33 66.47 2a5d n THR 75 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 2a5d h ILE 76 N -0.57 1.41 -0.54 12.58 5.03 -0.63 -3.31 117.51 131.48 2a5d h ILE 76 Ca -0.01 -2.94 -0.09 0.00 -0.12 0.00 0.00 64.86 61.70 2a5d h ILE 76 Cb 0.59 2.97 -0.05 0.00 -3.03 0.00 0.00 36.82 37.29 2a5d h ILE 76 CO -0.00 0.87 0.09 0.18 -0.68 0.00 0.00 178.15 178.61 2a5d n LEU 77 N -3.59 5.27 0.14 1.44 4.77 -0.67 -4.62 117.00 119.74 2a5d n LEU 77 Ca -0.12 -3.13 0.19 0.00 -0.03 0.00 0.00 56.01 52.92 2a5d n LEU 77 Cb 1.05 -0.67 0.78 0.00 -2.33 0.00 0.00 43.42 42.25 2a5d n LEU 77 CO 0.56 0.75 1.16 0.77 -1.33 0.00 0.00 177.39 179.30 2a5d h SER 78 N 2.71 0.00 0.28 -1.43 4.64 -1.58 -0.64 113.55 117.53 2a5d h SER 78 Ca 0.11 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 2a5d h SER 78 Cb 1.95 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.04 2a5d h SER 78 CO 0.51 0.00 -0.06 0.61 -0.87 0.00 0.00 176.83 177.02 2a5d n GLY 79 N -1.46 -0.91 3.39 -0.77 0.00 -1.26 -4.77 105.19 99.40 2a5d n GLY 79 Ca 0.05 -0.25 -0.36 0.00 0.00 0.00 0.00 46.02 45.46 2a5d n GLY 79 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2a5d s HIS 80 N -2.34 3.03 0.49 1.61 4.02 -0.25 -4.98 115.29 116.86 2a5d s HIS 80 Ca 0.34 -0.65 0.21 0.00 1.02 0.00 0.00 55.06 55.98 2a5d s HIS 80 Cb 0.21 -2.17 1.35 0.00 -1.02 0.00 0.00 32.58 30.95 2a5d s HIS 80 CO 0.44 -0.43 2.10 0.66 1.02 0.00 0.00 174.74 178.53 2a5d h SER 81 N 8.12 0.00 -3.70 1.40 4.64 -1.86 -3.42 113.55 118.73 2a5d h SER 81 Ca -0.39 0.00 -0.41 0.00 -0.47 0.00 0.00 61.79 60.51 2a5d h SER 81 Cb 1.17 0.00 -0.32 0.00 -0.31 0.00 0.00 62.40 62.94 2a5d h SER 81 CO 0.59 0.09 -0.78 -0.89 -0.87 0.00 0.00 176.83 174.97 2a5d s THR 82 N -4.62 0.67 0.27 2.95 2.01 -1.26 -0.59 115.64 115.07 2a5d s THR 82 Ca -0.04 -0.27 -0.00 0.00 0.31 0.00 0.00 61.69 61.68 2a5d s THR 82 Cb 0.15 -0.62 0.00 0.00 0.01 0.00 0.00 72.50 72.05 2a5d s THR 82 CO 0.63 0.22 0.35 0.00 -0.69 0.00 0.00 174.62 175.14 2a5d n TYR 83 N 3.50 -1.13 -4.37 4.92 0.18 -0.18 -4.91 117.16 115.16 2a5d n TYR 83 Ca -0.20 -1.86 -0.21 0.00 1.88 0.00 0.00 57.90 57.51 2a5d n TYR 83 Cb 0.54 0.40 -0.13 0.00 -0.38 0.00 0.00 39.34 39.76 2a5d n TYR 83 CO 0.00 0.00 0.00 0.71 -2.08 0.00 0.00 176.86 175.49 2a5d s TYR 84 N -3.35 1.37 -0.30 -3.48 1.51 -0.34 -0.09 117.35 112.67 2a5d s TYR 84 Ca 0.24 -0.38 -0.02 0.00 -1.01 0.00 0.00 57.07 55.90 2a5d s TYR 84 Cb -0.00 -0.80 0.05 0.00 -0.11 0.00 0.00 41.96 41.09 2a5d s TYR 84 CO 0.17 0.06 -0.01 0.42 -1.11 0.00 0.00 175.55 175.08 2a5d s ILE 85 N -0.92 2.98 0.04 2.71 1.01 0.67 -0.85 121.20 126.84 2a5d s ILE 85 Ca 0.02 -1.36 -0.28 0.00 0.00 0.00 0.00 60.65 59.04 2a5d s ILE 85 Cb -0.08 -2.70 -0.05 0.00 0.01 0.00 0.00 42.46 39.64 2a5d s ILE 85 CO 0.02 -0.08 0.88 -0.31 0.00 0.00 0.00 174.94 175.44 2a5d s TYR 86 N 1.26 3.72 -0.24 3.97 2.02 0.01 -0.60 117.35 127.49 2a5d s TYR 86 Ca -0.05 1.61 -0.10 0.00 -0.37 0.00 0.00 57.07 58.16 2a5d s TYR 86 Cb -0.20 -2.97 -0.05 0.00 -0.40 0.00 0.00 41.96 38.34 2a5d s TYR 86 CO -0.01 0.16 0.16 0.08 -1.57 0.00 0.00 175.55 174.37 2a5d s VAL 87 N 0.32 5.34 -0.04 0.71 1.01 0.96 -0.99 120.40 127.71 2a5d s VAL 87 Ca 0.45 0.17 0.03 0.00 0.00 0.00 0.00 61.98 62.63 2a5d s VAL 87 Cb -0.21 -3.49 0.00 0.00 0.00 0.00 0.00 36.38 32.67 2a5d s VAL 87 CO 0.26 0.34 -0.13 -0.63 0.00 0.00 0.00 175.10 174.93 2a5d s ILE 88 N 1.14 1.12 0.87 2.22 1.01 0.39 0.26 121.20 128.20 2a5d s ILE 88 Ca 0.07 -0.54 -0.12 0.00 0.00 0.00 0.00 60.65 60.07 2a5d s ILE 88 Cb -0.14 -0.98 0.11 0.00 0.01 0.00 0.00 42.46 41.46 2a5d s ILE 88 CO 0.05 0.33 1.10 0.00 0.00 0.00 0.00 174.94 176.43 2a5d s ALA 89 N 0.15 1.80 0.02 9.38 0.00 -0.30 -0.44 121.76 132.37 2a5d s ALA 89 Ca -0.04 -0.21 -0.17 0.00 0.00 0.00 0.00 51.96 51.54 2a5d s ALA 89 Cb -0.10 -3.13 -0.06 0.00 0.00 0.00 0.00 23.12 19.82 2a5d s ALA 89 CO 0.01 -2.14 0.47 0.95 0.00 0.00 0.00 175.76 175.05 2a5d s THR 90 N -3.07 4.92 0.10 0.00 -4.23 -1.25 -4.75 115.64 107.37 2a5d s THR 90 Ca 0.63 0.99 -0.12 0.00 -1.18 0.00 0.00 61.69 62.00 2a5d s THR 90 Cb -0.16 -3.79 0.01 0.00 1.34 0.00 0.00 72.50 69.91 2a5d s THR 90 CO 0.55 0.56 0.28 0.00 -0.54 0.00 0.00 174.62 175.48 2a5d s ALA 91 N -1.04 -0.53 -1.46 3.99 0.00 -1.26 -4.45 121.76 117.01 2a5d s ALA 91 Ca 0.26 -0.37 0.00 0.00 0.00 0.00 0.00 51.96 51.85 2a5d s ALA 91 Cb -0.18 0.58 0.01 0.00 0.00 0.00 0.00 23.12 23.53 2a5d s ALA 91 CO 0.15 -0.57 0.74 -2.30 0.00 0.00 0.00 175.76 173.79 2a5d n PRO 92 N -0.13 1.03 -0.23 0.00 -0.02 -0.97 -2.20 135.00 132.47 2a5d n PRO 92 Ca -0.15 -0.03 0.12 0.00 -2.02 0.00 0.00 63.50 61.41 2a5d n PRO 92 Cb 0.63 -1.28 0.26 0.00 -0.02 0.00 0.00 33.50 33.09 2a5d n PRO 92 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 2a5d n ASN 93 N -0.22 3.40 -4.76 2.55 6.94 -1.26 -4.21 115.26 117.71 2a5d n ASN 93 Ca 0.00 -1.98 -0.36 0.00 -0.02 0.00 0.00 54.58 52.23 2a5d n ASN 93 Cb 0.14 -0.31 -0.07 0.00 -2.36 0.00 0.00 39.78 37.18 2a5d n ASN 93 CO 0.00 0.00 0.00 -0.04 -1.03 0.00 0.00 177.26 176.19 2a5d s MET 94 N -1.39 4.04 -0.06 -3.83 -1.94 -0.94 -0.42 119.30 114.77 2a5d s MET 94 Ca 0.41 -0.16 0.05 0.00 -1.71 0.00 0.00 55.69 54.28 2a5d s MET 94 Cb 0.23 -3.37 -0.00 0.00 2.01 0.00 0.00 34.83 33.69 2a5d s MET 94 CO 0.31 0.40 -0.20 -0.06 -0.01 0.00 0.00 175.02 175.46 2a5d s PHE 95 N 0.07 2.00 -0.55 -0.03 0.08 -0.31 -0.28 117.98 118.96 2a5d s PHE 95 Ca 0.11 -0.62 -0.28 0.00 0.12 0.00 0.00 56.93 56.25 2a5d s PHE 95 Cb -0.11 -1.34 0.02 0.00 -0.57 0.00 0.00 43.02 41.01 2a5d s PHE 95 CO 0.00 -0.22 1.34 1.21 -0.10 0.00 0.00 175.22 177.46 2a5d s ASN 96 N 0.05 6.25 0.18 1.36 3.84 -1.26 -0.74 114.94 124.62 2a5d s ASN 96 Ca -0.06 0.28 -0.14 0.00 0.21 0.00 0.00 52.86 53.14 2a5d s ASN 96 Cb -0.13 -2.55 0.15 0.00 -0.55 0.00 0.00 41.25 38.17 2a5d s ASN 96 CO 0.03 -1.61 1.71 0.58 -2.79 0.00 0.00 177.10 175.02 2a5d h VAL 97 N 6.32 0.73 -0.25 -5.21 2.07 -1.68 -1.41 116.25 116.82 2a5d h VAL 97 Ca -0.26 -0.06 -0.02 0.00 0.82 0.00 0.00 66.70 67.17 2a5d h VAL 97 Cb 1.08 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 31.37 2a5d h VAL 97 CO 1.17 0.03 0.06 0.78 0.02 0.00 0.00 177.57 179.64 2a5d h ASN 98 N 0.18 0.32 -0.10 0.57 -0.26 -1.90 0.14 115.58 114.53 2a5d h ASN 98 Ca 0.22 -0.03 -0.18 0.00 -0.56 0.00 0.00 56.30 55.74 2a5d h ASN 98 Cb 0.29 -0.08 -0.00 0.00 -1.06 0.00 0.00 38.32 37.47 2a5d h ASN 98 CO -0.31 0.33 -0.61 0.44 -1.06 0.00 0.00 177.43 176.22 2a5d h ASP 99 N 0.35 0.80 0.11 5.81 3.32 -1.71 0.31 116.42 125.41 2a5d h ASP 99 Ca 0.09 -0.45 -0.28 0.00 0.02 0.00 0.00 57.03 56.41 2a5d h ASP 99 Cb 0.14 -0.23 0.03 0.00 0.22 0.00 0.00 39.33 39.49 2a5d h ASP 99 CO -0.00 1.22 -1.15 0.58 -1.72 0.00 0.00 179.24 178.17 2a5d h VAL 100 N 0.53 1.31 -0.00 -1.35 2.07 -0.86 -3.29 116.25 114.66 2a5d h VAL 100 Ca -0.00 -2.43 0.00 0.00 0.82 0.00 0.00 66.70 65.09 2a5d h VAL 100 Cb 1.19 2.73 0.00 0.00 -1.52 0.00 0.00 31.29 33.69 2a5d h VAL 100 CO 0.12 0.73 -0.30 0.18 0.02 0.00 0.00 177.57 178.33 2a5d n LEU 101 N -3.86 0.47 0.00 2.57 4.77 -0.00 -4.75 117.00 116.20 2a5d n LEU 101 Ca -0.13 0.06 0.00 0.00 -0.03 0.00 0.00 56.01 55.91 2a5d n LEU 101 Cb 0.94 -0.27 0.00 0.00 -2.33 0.00 0.00 43.42 41.76 2a5d n LEU 101 CO 0.56 0.10 0.00 0.61 -1.33 0.00 0.00 177.39 177.34 2a5d n GLY 102 N 1.44 2.48 0.15 -0.72 0.00 0.10 -1.74 105.19 106.90 2a5d n GLY 102 Ca 0.08 -0.30 0.12 0.00 0.00 0.00 0.00 46.02 45.92 2a5d n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2a5d n ALA 103 N 7.91 1.40 1.10 4.61 0.00 -1.26 -2.17 120.51 132.10 2a5d n ALA 103 Ca 0.00 0.14 0.11 0.00 0.00 0.00 0.00 53.44 53.69 2a5d n ALA 103 Cb 0.00 -1.37 0.35 0.00 0.00 0.00 0.00 19.45 18.44 2a5d n ALA 103 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2a5d n TYR 104 N -2.27 0.23 -1.65 0.00 4.01 -0.71 -4.90 117.16 111.86 2a5d n TYR 104 Ca 0.01 -0.11 -0.45 0.00 -0.16 0.00 0.00 57.90 57.18 2a5d n TYR 104 Cb 0.15 0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 39.14 2a5d n TYR 104 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 2a5d n SER 105 N 0.53 3.72 0.18 7.72 2.88 -0.92 -4.88 113.62 122.85 2a5d n SER 105 Ca 0.17 0.83 0.05 0.00 -1.33 0.00 0.00 58.87 58.59 2a5d n SER 105 Cb 0.39 -1.46 0.30 0.00 -0.75 0.00 0.00 64.21 62.69 2a5d n SER 105 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 2a5d h PRO 106 N 10.64 0.00 -2.07 -1.46 0.13 -1.90 -3.35 132.00 133.98 2a5d h PRO 106 Ca -0.48 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.10 2a5d h PRO 106 Cb 1.26 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 31.98 2a5d h PRO 106 CO 0.95 0.41 -0.97 0.72 -0.23 0.00 0.00 178.00 178.87 2a5d n HIS 107 N -3.53 1.11 0.29 1.56 8.25 -1.26 -4.96 115.22 116.68 2a5d n HIS 107 Ca -0.00 -3.80 0.16 0.00 -0.26 0.00 0.00 57.72 53.82 2a5d n HIS 107 Cb 0.54 -0.43 0.90 0.00 1.12 0.00 0.00 29.99 32.11 2a5d n HIS 107 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 2a5d h PRO 108 N 3.64 0.00 0.00 -0.41 0.13 -1.98 -0.06 132.00 133.32 2a5d h PRO 108 Ca 0.11 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.24 2a5d h PRO 108 Cb 0.81 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.94 2a5d h PRO 108 CO 0.59 0.05 -0.02 0.38 -0.23 0.00 0.00 178.00 178.76 2a5d h ASP 109 N 0.00 0.00 -0.88 1.44 3.04 -1.95 -2.01 116.42 116.06 2a5d h ASP 109 Ca -0.00 0.00 0.14 0.00 -3.24 0.00 0.00 57.03 53.93 2a5d h ASP 109 Cb 0.17 0.00 -0.07 0.00 -1.04 0.00 0.00 39.33 38.39 2a5d h ASP 109 CO 0.01 0.02 0.57 0.44 -2.04 0.00 0.00 179.24 178.24 2a5d h ASP 110 N 0.00 0.66 -6.70 4.15 3.32 -1.43 -3.46 116.42 112.95 2a5d h ASP 110 Ca -0.00 0.04 -0.54 0.00 0.02 0.00 0.00 57.03 56.55 2a5d h ASP 110 Cb 0.38 -0.09 -0.10 0.00 0.22 0.00 0.00 39.33 39.74 2a5d h ASP 110 CO 0.00 0.34 -0.92 0.00 -1.72 0.00 0.00 179.24 176.94 2a5d n GLN 111 N -4.56 -2.29 -2.83 3.56 6.02 -0.76 -4.90 117.38 111.63 2a5d n GLN 111 Ca 0.17 0.29 -0.40 0.00 -0.01 0.00 0.00 57.00 57.04 2a5d n GLN 111 Cb 0.45 -4.11 -0.05 0.00 1.02 0.00 0.00 30.24 27.55 2a5d n GLN 111 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 2a5d s ASP 112 N -4.31 7.45 -0.21 1.08 3.68 -1.26 -4.19 116.67 118.91 2a5d s ASP 112 Ca 0.04 1.73 -0.02 0.00 2.13 0.00 0.00 52.55 56.43 2a5d s ASP 112 Cb -0.02 -2.55 0.00 0.00 -1.45 0.00 0.00 42.92 38.90 2a5d s ASP 112 CO 0.93 0.05 -0.08 -0.69 0.13 0.00 0.00 175.17 175.50 2a5d s VAL 113 N -0.47 2.99 -0.06 1.11 1.01 -0.55 -1.58 120.40 122.83 2a5d s VAL 113 Ca 0.42 -0.68 0.03 0.00 0.00 0.00 0.00 61.98 61.76 2a5d s VAL 113 Cb -0.23 -2.36 -0.02 0.00 0.00 0.00 0.00 36.38 33.76 2a5d s VAL 113 CO 0.28 0.42 -0.16 -0.44 0.00 0.00 0.00 175.10 175.20 2a5d s SER 114 N 1.41 3.89 -0.38 3.32 0.01 0.08 -1.11 113.70 120.92 2a5d s SER 114 Ca 0.05 -0.26 -0.15 0.00 1.31 0.00 0.00 55.95 56.90 2a5d s SER 114 Cb -0.14 -0.95 0.01 0.00 0.21 0.00 0.00 66.02 65.14 2a5d s SER 114 CO -0.06 0.30 0.33 0.00 0.41 0.00 0.00 173.24 174.22 2a5d s ALA 115 N -0.49 3.48 -0.07 1.44 0.00 0.86 -1.16 121.76 125.82 2a5d s ALA 115 Ca 0.06 -1.50 -0.30 0.00 0.00 0.00 0.00 51.96 50.22 2a5d s ALA 115 Cb -0.12 -2.86 -0.04 0.00 0.00 0.00 0.00 23.12 20.10 2a5d s ALA 115 CO 0.02 -1.30 1.43 -1.17 0.00 0.00 0.00 175.76 174.73 2a5d s LEU 116 N 1.85 4.27 0.00 0.00 2.96 0.44 -1.40 118.68 126.80 2a5d s LEU 116 Ca 0.08 2.01 0.00 0.00 -0.22 0.00 0.00 54.13 56.00 2a5d s LEU 116 Cb -0.18 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 42.97 2a5d s LEU 116 CO 0.11 -0.79 0.00 0.61 -1.32 0.00 0.00 176.35 174.96 2a5d n GLY 117 N 3.78 1.21 0.00 7.98 0.00 0.61 -4.89 105.19 113.88 2a5d n GLY 117 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 2a5d n GLY 117 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2a5d n GLY 118 N -2.00 0.19 2.98 -0.02 0.00 -1.15 -4.57 105.19 100.63 2a5d n GLY 118 Ca 0.00 -2.03 -0.31 0.00 0.00 0.00 0.00 46.02 43.68 2a5d n GLY 118 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2a5d s ILE 119 N -1.04 1.73 0.74 -0.61 1.01 -0.39 -4.96 121.20 117.67 2a5d s ILE 119 Ca 0.00 -1.32 -0.15 0.00 0.00 0.00 0.00 60.65 59.18 2a5d s ILE 119 Cb 0.00 -1.93 0.04 0.00 0.01 0.00 0.00 42.46 40.59 2a5d s ILE 119 CO 0.00 -0.05 1.22 -2.84 0.00 0.00 0.00 174.94 173.28 2a5d s PRO 120 N 1.31 2.07 0.45 2.79 0.02 -1.26 -0.85 135.00 139.53 2a5d s PRO 120 Ca -0.06 1.82 0.11 0.00 0.02 0.00 0.00 61.00 62.88 2a5d s PRO 120 Cb -0.19 -1.82 1.01 0.00 0.02 0.00 0.00 34.50 33.53 2a5d s PRO 120 CO -0.06 -1.90 2.08 -0.92 -0.33 0.00 0.00 177.00 175.87 2a5d h TYR 121 N -0.31 0.28 0.00 6.54 3.20 -1.74 -0.07 116.97 124.87 2a5d h TYR 121 Ca -0.48 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.39 2a5d h TYR 121 Cb 1.30 -0.09 0.00 0.00 1.54 0.00 0.00 36.73 39.48 2a5d h TYR 121 CO 0.46 0.20 0.00 -1.13 -1.64 0.00 0.00 178.16 176.05 2a5d n SER 122 N -4.48 0.67 0.00 -2.11 3.41 -1.26 -1.53 113.62 108.32 2a5d n SER 122 Ca 0.00 0.67 0.12 0.00 -0.26 0.00 0.00 58.87 59.40 2a5d n SER 122 Cb 0.09 -0.81 0.25 0.00 -0.26 0.00 0.00 64.21 63.48 2a5d n SER 122 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 2a5d n GLN 123 N -2.24 0.03 -2.90 4.33 7.27 -0.04 -1.59 117.38 122.24 2a5d n GLN 123 Ca 0.02 0.01 -0.43 0.00 0.07 0.00 0.00 57.00 56.67 2a5d n GLN 123 Cb 0.22 -1.51 -0.05 0.00 2.41 0.00 0.00 30.24 31.31 2a5d n GLN 123 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 2a5d s ILE 124 N -3.02 4.62 0.22 1.69 1.01 -0.58 -1.15 121.20 123.99 2a5d s ILE 124 Ca 0.11 0.79 -0.03 0.00 0.00 0.00 0.00 60.65 61.52 2a5d s ILE 124 Cb 0.17 -4.32 0.03 0.00 0.01 0.00 0.00 42.46 38.36 2a5d s ILE 124 CO 0.70 -0.63 1.63 0.22 0.00 0.00 0.00 174.94 176.87 2a5d h TYR 125 N 8.76 0.81 0.00 3.97 3.20 -0.50 -3.37 116.97 129.84 2a5d h TYR 125 Ca -0.24 -0.19 0.00 0.00 3.14 0.00 0.00 58.73 61.44 2a5d h TYR 125 Cb 1.08 -0.19 0.00 0.00 1.54 0.00 0.00 36.73 39.16 2a5d h TYR 125 CO 0.82 0.90 0.00 0.41 -1.64 0.00 0.00 178.16 178.65 2a5d n GLY 126 N -0.21 -1.02 3.45 1.82 0.00 -1.16 -1.39 105.19 106.68 2a5d n GLY 126 Ca -0.00 -1.04 -0.17 0.00 0.00 0.00 0.00 46.02 44.82 2a5d n GLY 126 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 2a5d s TRP 127 N -3.00 -0.54 -0.20 1.61 -2.14 -0.01 -0.03 118.94 114.63 2a5d s TRP 127 Ca 0.00 0.96 -0.09 0.00 2.66 0.00 0.00 56.10 59.63 2a5d s TRP 127 Cb 0.00 0.32 -0.04 0.00 -3.10 0.00 0.00 33.47 30.64 2a5d s TRP 127 CO 0.00 -0.53 0.10 0.71 -2.66 0.00 0.00 176.95 174.56 2a5d s TYR 128 N -1.10 3.29 -0.02 1.66 2.02 0.23 -0.54 117.35 122.90 2a5d s TYR 128 Ca -0.11 0.13 -0.25 0.00 -0.37 0.00 0.00 57.07 56.47 2a5d s TYR 128 Cb -0.02 -2.14 -0.04 0.00 -0.40 0.00 0.00 41.96 39.36 2a5d s TYR 128 CO 0.08 0.14 0.79 0.50 -1.57 0.00 0.00 175.55 175.48 2a5d s ARG 129 N 0.58 4.49 -0.21 -0.62 3.52 -1.26 -0.24 118.95 125.21 2a5d s ARG 129 Ca 0.05 1.06 -0.03 0.00 -0.13 0.00 0.00 55.73 56.69 2a5d s ARG 129 Cb -0.12 -3.42 -0.00 0.00 -1.56 0.00 0.00 34.95 29.84 2a5d s ARG 129 CO 0.01 0.11 -0.08 0.08 -0.81 0.00 0.00 175.30 174.60 2a5d s VAL 130 N 0.58 3.06 -0.14 7.11 1.01 0.87 -4.33 120.40 128.55 2a5d s VAL 130 Ca 0.41 -0.60 0.01 0.00 0.00 0.00 0.00 61.98 61.80 2a5d s VAL 130 Cb -0.19 -2.37 0.02 0.00 0.00 0.00 0.00 36.38 33.84 2a5d s VAL 130 CO 0.22 0.45 -0.15 -2.28 0.00 0.00 0.00 175.10 173.34 2a5d s HIS 131 N 1.39 2.16 -1.50 5.22 2.46 -0.82 -1.01 115.29 123.18 2a5d s HIS 131 Ca 0.05 -1.16 -0.13 0.00 0.47 0.00 0.00 55.06 54.29 2a5d s HIS 131 Cb -0.14 -1.57 0.07 0.00 -0.13 0.00 0.00 32.58 30.81 2a5d s HIS 131 CO -0.05 -0.62 1.03 1.19 -2.47 0.00 0.00 174.74 173.81 2a5d n PHE 132 N 4.58 -2.42 -0.96 3.88 3.72 0.24 -1.95 117.46 124.55 2a5d n PHE 132 Ca -0.18 0.93 0.00 0.00 -0.05 0.00 0.00 57.45 58.15 2a5d n PHE 132 Cb 0.50 -4.19 0.00 0.00 -0.94 0.00 0.00 39.48 34.86 2a5d n PHE 132 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2a5d n GLY 133 N -1.76 0.81 3.38 1.37 0.00 -1.26 -5.01 105.19 102.71 2a5d n GLY 133 Ca 0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.73 2a5d n GLY 133 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2a5d s VAL 134 N -3.32 3.03 -0.99 1.61 1.01 -0.82 -5.05 120.40 115.86 2a5d s VAL 134 Ca 0.00 -0.68 -0.21 0.00 0.00 0.00 0.00 61.98 61.09 2a5d s VAL 134 Cb 0.00 -2.26 0.08 0.00 0.00 0.00 0.00 36.38 34.20 2a5d s VAL 134 CO 0.00 0.53 1.34 -0.76 0.00 0.00 0.00 175.10 176.21 2a5d s LEU 135 N 0.25 4.08 0.00 3.92 1.02 -1.26 -1.95 118.68 124.74 2a5d s LEU 135 Ca -0.09 -1.69 0.19 0.00 0.02 0.00 0.00 54.13 52.56 2a5d s LEU 135 Cb -0.16 -2.51 0.24 0.00 0.02 0.00 0.00 46.19 43.79 2a5d s LEU 135 CO 0.05 -1.34 1.19 0.47 0.02 0.00 0.00 176.35 176.75 2a5d n ASP 136 N 8.01 2.85 -4.27 2.29 9.92 -1.26 -4.98 116.55 129.11 2a5d n ASP 136 Ca 0.30 -1.85 -0.20 0.00 -0.53 0.00 0.00 54.79 52.51 2a5d n ASP 136 Cb 0.50 -0.09 -0.11 0.00 -0.64 0.00 0.00 41.12 40.77 2a5d n ASP 136 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 2a5d s GLU 137 N -1.47 1.09 0.68 -1.24 2.02 -1.26 -5.13 118.70 113.39 2a5d s GLU 137 Ca 0.27 -1.26 -0.12 0.00 0.02 0.00 0.00 54.97 53.87 2a5d s GLU 137 Cb 0.17 -1.06 0.01 0.00 0.10 0.00 0.00 34.13 33.35 2a5d s GLU 137 CO 0.25 0.21 1.07 -0.65 0.02 0.00 0.00 175.26 176.17 2a5d s GLN 138 N -2.59 2.86 0.19 1.61 -1.52 -1.26 -4.78 119.66 114.17 2a5d s GLN 138 Ca 0.10 1.11 -0.32 0.00 -1.95 0.00 0.00 55.36 54.30 2a5d s GLN 138 Cb -0.06 -1.97 -0.15 0.00 -0.22 0.00 0.00 33.01 30.61 2a5d s GLN 138 CO 0.04 -1.17 1.28 -0.11 -0.25 0.00 0.00 175.29 175.08 2a5d n LEU 139 N -2.87 2.18 -4.64 2.90 7.94 -1.26 -4.80 117.00 116.45 2a5d n LEU 139 Ca 0.08 1.14 -0.37 0.00 -1.11 0.00 0.00 56.01 55.75 2a5d n LEU 139 Cb 0.53 -1.30 -0.10 0.00 0.53 0.00 0.00 43.42 43.08 2a5d n LEU 139 CO 0.52 -0.94 -0.18 -2.28 -1.11 0.00 0.00 177.39 173.40 2a5d s HIS 140 N -0.05 3.28 0.19 1.96 5.65 0.30 -4.92 115.29 121.70 2a5d s HIS 140 Ca 0.72 0.18 -0.28 0.00 0.25 0.00 0.00 55.06 55.93 2a5d s HIS 140 Cb -0.78 -2.29 -0.08 0.00 -1.18 0.00 0.00 32.58 28.25 2a5d s HIS 140 CO 0.50 0.00 0.86 1.03 -0.65 0.00 0.00 174.74 176.49 2a5d s ARG 141 N 1.22 4.71 -0.35 2.88 1.81 -1.26 -0.83 118.95 127.12 2a5d s ARG 141 Ca 0.07 1.32 -0.27 0.00 -1.72 0.00 0.00 55.73 55.13 2a5d s ARG 141 Cb -0.14 -3.28 0.02 0.00 -0.45 0.00 0.00 34.95 31.10 2a5d s ARG 141 CO 0.06 0.52 1.01 1.21 -0.68 0.00 0.00 175.30 177.41 2a5d s ASN 142 N -1.06 6.79 0.45 0.23 2.47 -0.48 -4.90 114.94 118.44 2a5d s ASN 142 Ca 0.39 0.79 0.31 0.00 0.42 0.00 0.00 52.86 54.77 2a5d s ASN 142 Cb -0.24 -2.50 1.54 0.00 -1.45 0.00 0.00 41.25 38.59 2a5d s ASN 142 CO 0.29 -0.89 1.94 0.08 -3.72 0.00 0.00 177.10 174.81 2a5d h ARG 143 N 8.34 0.00 -0.02 0.43 0.11 -1.92 -1.75 114.38 119.57 2a5d h ARG 143 Ca -0.22 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.86 2a5d h ARG 143 Cb 1.07 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.15 2a5d h ARG 143 CO 1.01 0.00 0.00 0.41 0.10 0.00 0.00 179.97 181.49 2a5d n GLY 144 N -0.69 0.15 3.76 0.08 0.00 -1.26 -4.88 105.19 102.34 2a5d n GLY 144 Ca -0.01 -0.48 -0.41 0.00 0.00 0.00 0.00 46.02 45.12 2a5d n GLY 144 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2a5d s TYR 145 N -2.00 3.11 -0.43 1.61 5.04 -0.66 -4.29 117.35 119.73 2a5d s TYR 145 Ca 0.36 1.34 0.03 0.00 -2.44 0.00 0.00 57.07 56.36 2a5d s TYR 145 Cb 0.21 -3.67 0.12 0.00 0.35 0.00 0.00 41.96 38.98 2a5d s TYR 145 CO 0.33 -1.91 0.19 1.03 -1.34 0.00 0.00 175.55 173.85 2a5d s ARG 146 N -1.26 1.44 0.40 4.97 1.81 -0.62 -4.98 118.95 120.70 2a5d s ARG 146 Ca 0.52 -2.03 0.13 0.00 -1.72 0.00 0.00 55.73 52.62 2a5d s ARG 146 Cb -0.39 -2.72 0.83 0.00 -0.45 0.00 0.00 34.95 32.23 2a5d s ARG 146 CO 0.48 -1.08 1.90 0.22 -0.68 0.00 0.00 175.30 176.14 2a5d h ASP 147 N 7.01 0.04 0.49 0.23 3.58 -1.94 -2.04 116.42 123.78 2a5d h ASP 147 Ca -0.05 -0.01 -0.03 0.00 0.42 0.00 0.00 57.03 57.35 2a5d h ASP 147 Cb 0.94 -0.01 -0.00 0.00 1.72 0.00 0.00 39.33 41.98 2a5d h ASP 147 CO 0.55 0.31 -0.16 0.03 -2.88 0.00 0.00 179.24 177.08 2a5d h ARG 148 N 0.04 0.00 -0.47 0.28 3.08 -1.98 0.26 114.38 115.60 2a5d h ARG 148 Ca 0.00 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 59.95 2a5d h ARG 148 Cb 0.49 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.52 2a5d h ARG 148 CO 0.04 0.16 -0.12 1.88 -1.07 0.00 0.00 179.97 180.85 2a5d h TYR 149 N 0.00 0.97 0.00 3.04 0.99 -1.77 -3.38 116.97 116.82 2a5d h TYR 149 Ca -0.00 -0.19 0.00 0.00 2.00 0.00 0.00 58.73 60.54 2a5d h TYR 149 Cb 0.45 -0.24 0.00 0.00 1.00 0.00 0.00 36.73 37.94 2a5d h TYR 149 CO 0.00 0.94 -1.09 0.66 -0.00 0.00 0.00 178.16 178.67 2a5d n TYR 150 N -4.15 0.00 0.27 4.88 4.01 -0.85 -4.65 117.16 116.67 2a5d n TYR 150 Ca 0.01 0.00 0.15 0.00 -0.16 0.00 0.00 57.90 57.90 2a5d n TYR 150 Cb 0.39 -0.14 0.70 0.00 -0.31 0.00 0.00 39.34 39.98 2a5d n TYR 150 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 2a5d h SER 151 N 0.00 0.00 -0.04 7.72 4.64 -1.15 -1.81 113.55 122.91 2a5d h SER 151 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2a5d h SER 151 Cb 0.35 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 2a5d h SER 151 CO 0.00 0.10 0.00 -0.46 -0.87 0.00 0.00 176.83 175.60 2a5d n ASN 152 N -3.33 2.36 -4.71 4.97 2.04 -1.26 -4.31 115.26 111.01 2a5d n ASN 152 Ca -0.01 -1.79 -0.28 0.00 -0.44 0.00 0.00 54.58 52.06 2a5d n ASN 152 Cb 0.29 -0.01 -0.07 0.00 -2.53 0.00 0.00 39.78 37.46 2a5d n ASN 152 CO 0.00 0.00 0.00 -0.76 -0.44 0.00 0.00 177.26 176.06 2a5d s LEU 153 N -1.98 3.53 0.40 -4.53 1.43 -0.68 -5.01 118.68 111.84 2a5d s LEU 153 Ca 0.33 -0.21 0.03 0.00 -1.03 0.00 0.00 54.13 53.25 2a5d s LEU 153 Cb 0.20 -2.21 -0.03 0.00 0.03 0.00 0.00 46.19 44.18 2a5d s LEU 153 CO 0.31 0.13 0.09 -0.62 0.23 0.00 0.00 176.35 176.50 2a5d s ASP 154 N -2.67 2.90 0.98 2.29 2.15 -1.26 -4.39 116.67 116.67 2a5d s ASP 154 Ca 0.28 -1.60 -0.11 0.00 0.43 0.00 0.00 52.55 51.54 2a5d s ASP 154 Cb -0.11 0.37 0.18 0.00 -0.30 0.00 0.00 42.92 43.06 2a5d s ASP 154 CO 0.20 -0.84 1.09 0.27 -0.17 0.00 0.00 175.17 175.71 2a5d s ILE 155 N -3.18 2.32 0.34 4.11 -4.36 -1.25 -2.30 121.20 116.88 2a5d s ILE 155 Ca 0.24 0.10 -0.27 0.00 -0.26 0.00 0.00 60.65 60.46 2a5d s ILE 155 Cb 0.04 -2.31 -0.09 0.00 1.25 0.00 0.00 42.46 41.34 2a5d s ILE 155 CO 0.13 -0.13 1.18 0.00 0.24 0.00 0.00 174.94 176.36 2a5d s ALA 156 N -2.70 3.32 0.59 2.27 0.00 0.62 -4.77 121.76 121.09 2a5d s ALA 156 Ca 0.66 1.02 -0.18 0.00 0.00 0.00 0.00 51.96 53.46 2a5d s ALA 156 Cb -0.22 -3.39 -0.04 0.00 0.00 0.00 0.00 23.12 19.48 2a5d s ALA 156 CO 0.60 -0.44 1.13 -1.25 0.00 0.00 0.00 175.76 175.79 2a5d s PRO 157 N -1.91 3.13 0.31 0.00 0.04 -1.26 -4.69 135.00 130.62 2a5d s PRO 157 Ca 0.51 1.54 0.01 0.00 0.04 0.00 0.00 61.00 63.10 2a5d s PRO 157 Cb -0.33 -1.98 0.55 0.00 0.04 0.00 0.00 34.50 32.77 2a5d s PRO 157 CO 0.43 -1.02 1.92 0.00 0.04 0.00 0.00 177.00 178.37 2a5d h ALA 158 N 0.75 1.53 -0.92 8.56 0.00 -1.94 -1.07 119.26 126.16 2a5d h ALA 158 Ca -0.49 -0.03 0.25 0.00 0.00 0.00 0.00 54.91 54.65 2a5d h ALA 158 Cb 1.26 -0.26 -0.05 0.00 0.00 0.00 0.00 17.79 18.74 2a5d h ALA 158 CO 0.56 0.35 0.64 0.00 0.00 0.00 0.00 179.25 180.80 2a5d h ALA 159 N 1.52 2.69 -0.00 0.00 0.00 -1.93 0.12 119.26 121.66 2a5d h ALA 159 Ca 0.37 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.27 2a5d h ALA 159 Cb 0.18 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2a5d h ALA 159 CO -0.13 -0.97 -0.40 -0.25 0.00 0.00 0.00 179.25 177.50 2a5d n ASP 160 N -4.34 0.79 0.01 0.00 8.00 -0.41 -3.74 116.55 116.86 2a5d n ASP 160 Ca 0.19 -0.60 0.11 0.00 0.71 0.00 0.00 54.79 55.20 2a5d n ASP 160 Cb 0.92 0.22 0.08 0.00 -0.02 0.00 0.00 41.12 42.32 2a5d n ASP 160 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2a5d n GLY 161 N 1.42 -1.18 0.36 0.44 0.00 0.39 -4.48 105.19 102.15 2a5d n GLY 161 Ca 0.09 -0.43 -0.00 0.00 0.00 0.00 0.00 46.02 45.68 2a5d n GLY 161 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 2a5d h TYR 162 N 0.00 1.07 0.00 1.61 0.05 -1.55 0.17 116.97 118.33 2a5d h TYR 162 Ca 0.00 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.81 2a5d h TYR 162 Cb 0.58 -0.36 0.00 0.00 1.01 0.00 0.00 36.73 37.96 2a5d h TYR 162 CO 0.00 0.67 0.00 0.78 -1.05 0.00 0.00 178.16 178.56 2a5d h GLY 163 N 1.15 0.00 -2.40 3.88 0.00 -1.83 -2.22 103.07 101.65 2a5d h GLY 163 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.65 2a5d h GLY 163 CO -0.07 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.51 2a5d n LEU 164 N -2.77 3.56 -0.24 3.11 4.77 0.59 -4.60 117.00 121.42 2a5d n LEU 164 Ca -0.01 -1.64 -0.07 0.00 -0.03 0.00 0.00 56.01 54.25 2a5d n LEU 164 Cb 0.13 -0.34 0.04 0.00 -2.33 0.00 0.00 43.42 40.91 2a5d n LEU 164 CO 0.19 0.82 1.01 0.00 -1.33 0.00 0.00 177.39 178.08 2a5d h ALA 165 N 4.41 0.85 -5.54 -1.18 0.00 -1.23 -0.80 119.26 115.78 2a5d h ALA 165 Ca 0.00 -0.17 -0.40 0.00 0.00 0.00 0.00 54.91 54.34 2a5d h ALA 165 Cb 0.96 -0.26 0.12 0.00 0.00 0.00 0.00 17.79 18.61 2a5d h ALA 165 CO 0.00 0.46 -0.66 0.41 0.00 0.00 0.00 179.25 179.46 2a5d n GLY 166 N -0.86 -0.54 3.60 0.00 0.00 -1.26 -0.30 105.19 105.84 2a5d n GLY 166 Ca 0.05 0.23 -0.37 0.00 0.00 0.00 0.00 46.02 45.93 2a5d n GLY 166 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2a5d n PHE 167 N -4.91 0.62 -1.46 1.61 3.72 -1.26 -4.55 117.46 111.24 2a5d n PHE 167 Ca -0.02 0.41 -0.36 0.00 -0.05 0.00 0.00 57.45 57.43 2a5d n PHE 167 Cb 0.57 -2.09 0.08 0.00 -0.94 0.00 0.00 39.48 37.10 2a5d n PHE 167 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 2a5d n PRO 168 N -1.39 0.67 -0.30 -1.08 -0.02 -1.26 -4.85 135.00 126.77 2a5d n PRO 168 Ca 0.13 0.29 0.16 0.00 -2.02 0.00 0.00 63.50 62.06 2a5d n PRO 168 Cb 0.49 -2.33 0.42 0.00 -0.02 0.00 0.00 33.50 32.05 2a5d n PRO 168 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 2a5d h PRO 169 N -0.04 0.57 -0.01 0.52 0.11 -2.01 -0.97 132.00 130.17 2a5d h PRO 169 Ca -0.48 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.59 2a5d h PRO 169 Cb 1.34 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2a5d h PRO 169 CO 0.49 0.38 -0.02 0.39 -0.21 0.00 0.00 178.00 179.03 2a5d n GLU 170 N -4.63 1.58 -1.95 1.05 1.02 -1.26 -4.36 120.64 112.10 2a5d n GLU 170 Ca 0.21 -0.90 -0.41 0.00 -0.02 0.00 0.00 57.16 56.04 2a5d n GLU 170 Cb 0.64 -1.48 -0.02 0.00 -0.02 0.00 0.00 31.44 30.56 2a5d n GLU 170 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 2a5d s HIS 171 N -2.04 2.88 0.38 -0.32 2.46 -0.37 -4.91 115.29 113.37 2a5d s HIS 171 Ca 0.37 1.11 0.39 0.00 0.47 0.00 0.00 55.06 57.41 2a5d s HIS 171 Cb 0.21 -3.88 1.90 0.00 -0.13 0.00 0.00 32.58 30.68 2a5d s HIS 171 CO 0.35 -2.71 2.18 0.07 -2.47 0.00 0.00 174.74 172.16 2a5d h ARG 172 N 4.12 0.00 0.00 2.88 0.11 -1.92 -2.65 114.38 116.91 2a5d h ARG 172 Ca -0.48 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 59.60 2a5d h ARG 172 Cb 1.23 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.30 2a5d h ARG 172 CO 0.72 0.00 -0.01 0.00 0.10 0.00 0.00 179.97 180.78 2a5d h ALA 173 N 2.00 1.97 0.00 0.08 0.00 -1.94 0.07 119.26 121.45 2a5d h ALA 173 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2a5d h ALA 173 Cb 0.26 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2a5d h ALA 173 CO 0.00 0.01 0.00 0.91 0.00 0.00 0.00 179.25 180.17 2a5d n TRP 174 N -4.51 0.00 -0.55 0.00 5.03 -1.00 -2.01 117.44 114.39 2a5d n TRP 174 Ca -0.03 0.00 0.09 0.00 3.03 0.00 0.00 57.50 60.59 2a5d n TRP 174 Cb 0.10 -0.47 0.32 0.00 -1.03 0.00 0.00 31.31 30.23 2a5d n TRP 174 CO 0.00 0.00 0.00 0.54 -0.03 0.00 0.00 177.69 178.20 2a5d n ARG 175 N -1.47 3.39 -4.26 -0.99 1.74 0.01 -3.87 116.66 111.21 2a5d n ARG 175 Ca 0.05 -2.73 -0.18 0.00 -0.77 0.00 0.00 57.85 54.22 2a5d n ARG 175 Cb 0.22 -1.75 -0.11 0.00 -1.02 0.00 0.00 32.46 29.80 2a5d n ARG 175 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 2a5d s GLU 176 N -1.67 1.09 0.44 5.56 2.02 -0.85 -4.92 118.70 120.36 2a5d s GLU 176 Ca 0.46 -1.32 -0.25 0.00 0.02 0.00 0.00 54.97 53.88 2a5d s GLU 176 Cb 0.29 -0.94 -0.08 0.00 0.10 0.00 0.00 34.13 33.50 2a5d s GLU 176 CO 0.23 0.17 1.35 -1.21 0.02 0.00 0.00 175.26 175.82 2a5d s GLU 177 N -2.91 3.78 0.00 1.61 0.41 -1.26 -0.60 118.70 119.72 2a5d s GLU 177 Ca 0.12 2.24 0.25 0.00 -0.41 0.00 0.00 54.97 57.17 2a5d s GLU 177 Cb -0.04 -2.66 0.47 0.00 -1.78 0.00 0.00 34.13 30.12 2a5d s GLU 177 CO 0.03 -0.68 1.38 -0.35 -0.49 0.00 0.00 175.26 175.16 2a5d n PRO 178 N -0.13 0.39 0.25 0.39 -0.04 -1.26 -4.88 135.00 129.73 2a5d n PRO 178 Ca 0.05 -0.25 0.15 0.00 -0.04 0.00 0.00 63.50 63.41 2a5d n PRO 178 Cb 0.43 -1.49 0.51 0.00 -0.04 0.00 0.00 33.50 32.91 2a5d n PRO 178 CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 2a5d h TRP 179 N 0.61 0.00 -1.06 0.54 6.55 -1.55 -2.85 115.95 118.20 2a5d h TRP 179 Ca 0.00 0.00 0.29 0.00 0.95 0.00 0.00 58.89 60.13 2a5d h TRP 179 Cb 0.52 0.00 -0.06 0.00 -0.86 0.00 0.00 29.16 28.76 2a5d h TRP 179 CO 0.00 0.03 0.73 0.97 -1.05 0.00 0.00 178.44 179.12 2a5d h ILE 180 N 0.00 0.49 0.00 1.49 2.10 -0.97 0.27 117.51 120.89 2a5d h ILE 180 Ca -0.00 -0.06 0.00 0.00 1.08 0.00 0.00 64.86 65.88 2a5d h ILE 180 Cb 0.69 0.32 0.00 0.00 -1.09 0.00 0.00 36.82 36.74 2a5d h ILE 180 CO 0.00 0.03 0.00 1.41 -1.08 0.00 0.00 178.15 178.51 2a5d n HIS 181 N -4.37 0.00 -0.44 2.19 8.25 -1.08 -2.88 115.22 116.89 2a5d n HIS 181 Ca 0.24 0.00 0.02 0.00 -0.26 0.00 0.00 57.72 57.72 2a5d n HIS 181 Cb 1.02 -0.29 0.03 0.00 1.12 0.00 0.00 29.99 31.87 2a5d n HIS 181 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2a5d n HIS 182 N -1.29 0.00 -1.93 4.41 8.25 0.89 -5.08 115.22 120.47 2a5d n HIS 182 Ca 0.12 -0.52 -0.41 0.00 -0.26 0.00 0.00 57.72 56.65 2a5d n HIS 182 Cb 0.20 -0.06 -0.02 0.00 1.12 0.00 0.00 29.99 31.23 2a5d n HIS 182 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2a5d s ALA 183 N -1.22 3.62 0.77 -1.41 0.00 -0.97 -4.98 121.76 117.57 2a5d s ALA 183 Ca 0.07 1.43 -0.15 0.00 0.00 0.00 0.00 51.96 53.31 2a5d s ALA 183 Cb 0.06 -3.58 0.05 0.00 0.00 0.00 0.00 23.12 19.65 2a5d s ALA 183 CO 0.01 -0.86 1.08 -2.30 0.00 0.00 0.00 175.76 173.69 2a5d n PRO 184 N 1.55 0.34 -1.84 0.00 -0.02 -1.26 -4.92 135.00 128.86 2a5d n PRO 184 Ca 0.04 0.18 -0.42 0.00 -2.02 0.00 0.00 63.50 61.29 2a5d n PRO 184 Cb 0.40 -2.33 -0.02 0.00 -0.02 0.00 0.00 33.50 31.52 2a5d n PRO 184 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2a5d s PRO 185 N -3.75 4.17 0.00 0.52 0.04 -1.26 -1.93 135.00 132.79 2a5d s PRO 185 Ca 0.73 2.50 0.00 0.00 0.04 0.00 0.00 61.00 64.27 2a5d s PRO 185 Cb -0.31 -3.08 0.00 0.00 0.04 0.00 0.00 34.50 31.15 2a5d s PRO 185 CO 0.51 -0.63 0.00 0.41 0.04 0.00 0.00 177.00 177.33 2a5d n GLY 186 N 3.04 1.76 0.38 0.56 0.00 -1.26 -5.13 105.19 104.54 2a5d n GLY 186 Ca 0.11 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.28 2a5d n GLY 186 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18