#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d9i h GLU 2 N 0.00 1.20 -0.82 2.12 4.81 -2.04 -0.83 114.58 119.03 3d9i h GLU 2 Ca 0.00 -0.07 -0.04 0.00 -0.13 0.00 0.00 59.36 59.12 3d9i h GLU 2 Cb 0.00 -0.27 -0.04 0.00 0.63 0.00 0.00 28.75 29.07 3d9i h GLU 2 CO 0.00 0.80 0.35 0.00 -0.73 0.00 0.00 179.01 179.43 3d9i h ALA 3 N 1.43 1.08 -0.17 2.92 0.00 -1.97 -1.81 119.26 120.74 3d9i h ALA 3 Ca 0.39 -0.18 -0.10 0.00 0.00 0.00 0.00 54.91 55.02 3d9i h ALA 3 Cb 0.00 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 3d9i h ALA 3 CO -0.12 0.67 -0.33 0.28 0.00 0.00 0.00 179.25 179.75 3d9i h VAL 4 N 1.18 1.28 -0.34 0.00 2.07 -1.76 -1.84 116.25 116.85 3d9i h VAL 4 Ca 0.28 -1.36 -0.16 0.00 0.82 0.00 0.00 66.70 66.28 3d9i h VAL 4 Cb 0.18 1.51 -0.00 0.00 -1.52 0.00 0.00 31.29 31.46 3d9i h VAL 4 CO -0.03 0.42 -0.40 0.11 0.02 0.00 0.00 177.57 177.69 3d9i h LYS 5 N 0.30 0.86 -0.48 1.57 1.57 -0.96 -0.37 116.57 119.07 3d9i h LYS 5 Ca 0.04 -0.48 0.02 0.00 -1.87 0.00 0.00 60.65 58.36 3d9i h LYS 5 Cb 0.73 0.03 -0.03 0.00 0.08 0.00 0.00 32.23 33.03 3d9i h LYS 5 CO 0.06 1.12 0.28 1.15 -0.57 0.00 0.00 179.45 181.49 3d9i h THR 6 N 0.66 1.05 -0.12 -0.16 2.02 -1.21 -0.86 112.91 114.29 3d9i h THR 6 Ca 0.05 -0.20 -0.00 0.00 0.77 0.00 0.00 66.41 67.03 3d9i h THR 6 Cb 0.99 0.43 -0.01 0.00 -1.74 0.00 0.00 68.15 67.83 3d9i h THR 6 CO 0.10 0.10 0.06 0.15 0.37 0.00 0.00 175.52 176.30 3d9i h PHE 7 N 0.57 0.16 -0.66 3.16 3.57 -1.14 -1.37 116.94 121.24 3d9i h PHE 7 Ca 0.19 -0.01 0.11 0.00 3.53 0.00 0.00 57.97 61.80 3d9i h PHE 7 Cb 0.01 -0.05 -0.08 0.00 2.79 0.00 0.00 35.95 38.62 3d9i h PHE 7 CO -0.07 0.19 0.24 -0.91 -2.23 0.00 0.00 178.31 175.54 3d9i h ASN 8 N 0.09 0.23 -0.37 0.41 2.35 -0.86 0.53 115.58 117.95 3d9i h ASN 8 Ca 0.04 0.09 -0.01 0.00 -0.55 0.00 0.00 56.30 55.87 3d9i h ASN 8 Cb 0.09 0.08 -0.02 0.00 0.05 0.00 0.00 38.32 38.52 3d9i h ASN 8 CO -0.01 0.12 0.18 0.28 -1.65 0.00 0.00 177.43 176.35 3d9i h SER 9 N 0.41 0.47 -0.38 5.81 0.02 -0.98 -0.68 113.55 118.23 3d9i h SER 9 Ca 0.35 -0.12 -0.01 0.00 -0.84 0.00 0.00 61.79 61.17 3d9i h SER 9 Cb 0.47 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 62.87 3d9i h SER 9 CO -0.35 0.46 0.22 -0.33 -1.14 0.00 0.00 176.83 175.68 3d9i h GLU 10 N 0.46 0.52 -0.21 3.45 4.39 -0.47 -1.40 114.58 121.31 3d9i h GLU 10 Ca 0.13 -0.06 -0.01 0.00 0.34 0.00 0.00 59.36 59.76 3d9i h GLU 10 Cb 0.10 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 3d9i h GLU 10 CO -0.02 0.41 0.11 1.25 -1.16 0.00 0.00 179.01 179.60 3d9i h LEU 11 N 0.49 0.27 -1.79 1.33 5.85 -0.86 -2.60 115.31 118.01 3d9i h LEU 11 Ca 0.13 -0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.73 3d9i h LEU 11 Cb 0.04 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 40.99 3d9i h LEU 11 CO -0.02 0.30 0.00 0.22 -0.34 0.00 0.00 178.44 178.60 3d9i h TYR 12 N 0.22 0.13 0.00 1.25 3.20 -1.02 -2.85 116.97 117.90 3d9i h TYR 12 Ca 0.07 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.94 3d9i h TYR 12 Cb 0.10 -0.04 0.00 0.00 1.54 0.00 0.00 36.73 38.33 3d9i h TYR 12 CO -0.03 0.14 0.00 -1.13 -1.64 0.00 0.00 178.16 175.50 3d9i n SER 13 N -4.46 0.45 0.08 -2.11 3.41 -0.54 -0.56 113.62 109.89 3d9i n SER 13 Ca -0.01 0.66 0.20 0.00 -0.26 0.00 0.00 58.87 59.45 3d9i n SER 13 Cb 0.13 -0.74 0.75 0.00 -0.26 0.00 0.00 64.21 64.09 3d9i n SER 13 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3d9i h LEU 14 N 0.00 0.00 -1.70 1.04 3.38 -1.58 -0.16 115.31 116.28 3d9i h LEU 14 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3d9i h LEU 14 Cb 0.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.90 3d9i h LEU 14 CO 0.00 0.00 0.00 0.24 0.09 0.00 0.00 178.44 178.77 3d9i h MET 15 N 0.00 0.00 -0.02 1.13 2.86 -1.08 -2.64 114.93 115.19 3d9i h MET 15 Ca 0.19 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.83 3d9i h MET 15 Cb 0.91 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.57 3d9i h MET 15 CO -0.00 0.00 0.00 -0.25 1.06 0.00 0.00 176.91 177.72 3d9i n ASP 16 N -2.99 1.66 -3.98 1.22 8.00 -0.07 -4.87 116.55 115.51 3d9i n ASP 16 Ca -0.00 -1.56 -0.23 0.00 0.71 0.00 0.00 54.79 53.71 3d9i n ASP 16 Cb 0.25 -0.00 -0.16 0.00 -0.02 0.00 0.00 41.12 41.18 3d9i n ASP 16 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 3d9i s MET 17 N -1.99 1.43 0.03 -1.24 -1.94 -0.99 -5.12 119.30 109.47 3d9i s MET 17 Ca 0.37 -0.32 -0.30 0.00 -1.71 0.00 0.00 55.69 53.73 3d9i s MET 17 Cb 0.21 -1.22 -0.05 0.00 2.01 0.00 0.00 34.83 35.78 3d9i s MET 17 CO 0.33 -0.00 1.16 0.21 -0.01 0.00 0.00 175.02 176.71 3d9i s LYS 18 N 0.73 4.44 0.60 2.03 2.47 -1.26 -4.94 119.74 123.81 3d9i s LYS 18 Ca -0.14 1.69 -0.19 0.00 -1.56 0.00 0.00 55.97 55.77 3d9i s LYS 18 Cb -0.15 -3.41 -0.03 0.00 -1.46 0.00 0.00 37.83 32.78 3d9i s LYS 18 CO 0.03 -0.26 1.27 -1.25 0.16 0.00 0.00 175.35 175.30 3d9i s PRO 19 N 1.28 2.87 0.32 4.03 0.04 -1.26 -4.46 135.00 137.82 3d9i s PRO 19 Ca 0.57 2.00 -0.27 0.00 0.04 0.00 0.00 61.00 63.34 3d9i s PRO 19 Cb -0.27 -1.98 -0.09 0.00 0.04 0.00 0.00 34.50 32.19 3d9i s PRO 19 CO 0.28 -1.33 1.00 -1.25 0.04 0.00 0.00 177.00 175.73 3d9i s PRO 20 N -3.24 4.53 0.24 0.56 0.04 -1.26 -5.15 135.00 130.73 3d9i s PRO 20 Ca 0.78 1.48 -0.30 0.00 0.04 0.00 0.00 61.00 63.00 3d9i s PRO 20 Cb -0.35 -2.88 -0.09 0.00 0.04 0.00 0.00 34.50 31.22 3d9i s PRO 20 CO 0.39 0.20 1.10 0.42 0.04 0.00 0.00 177.00 179.15 3d9i s ILE 21 N -1.48 3.62 0.72 0.56 -1.09 -1.26 -5.02 121.20 117.25 3d9i s ILE 21 Ca 0.50 1.53 -0.15 0.00 -2.23 0.00 0.00 60.65 60.30 3d9i s ILE 21 Cb -0.23 -3.98 0.04 0.00 -1.58 0.00 0.00 42.46 36.71 3d9i s ILE 21 CO 0.29 0.33 1.23 -0.94 -1.23 0.00 0.00 174.94 174.61 3d9i s SER 22 N -0.57 4.18 0.26 3.58 1.04 -1.26 -4.87 113.70 116.06 3d9i s SER 22 Ca 0.47 2.42 -0.04 0.00 0.48 0.00 0.00 55.95 59.28 3d9i s SER 22 Cb -0.31 -2.60 0.34 0.00 0.10 0.00 0.00 66.02 63.56 3d9i s SER 22 CO 0.39 -2.28 1.89 0.11 0.98 0.00 0.00 173.24 174.33 3d9i h LYS 23 N -0.21 1.17 -0.46 4.02 1.79 -1.99 -1.68 116.57 119.22 3d9i h LYS 23 Ca -0.48 -0.07 0.02 0.00 -2.18 0.00 0.00 60.65 57.94 3d9i h LYS 23 Cb 1.31 -0.26 -0.03 0.00 -1.58 0.00 0.00 32.23 31.66 3d9i h LYS 23 CO 0.50 0.77 0.27 0.00 -1.08 0.00 0.00 179.45 179.91 3d9i h ALA 24 N 1.41 0.58 -0.27 3.86 0.00 -1.99 0.66 119.26 123.51 3d9i h ALA 24 Ca 0.40 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.25 3d9i h ALA 24 Cb 0.06 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3d9i h ALA 24 CO -0.14 -0.04 -0.04 -0.22 0.00 0.00 0.00 179.25 178.80 3d9i h LYS 25 N 0.54 0.51 -0.98 0.00 1.63 -1.88 -2.03 116.57 114.36 3d9i h LYS 25 Ca 0.18 -0.18 0.05 0.00 -0.85 0.00 0.00 60.65 59.85 3d9i h LYS 25 Cb 0.02 -0.04 -0.06 0.00 -0.60 0.00 0.00 32.23 31.55 3d9i h LYS 25 CO -0.09 0.70 0.64 1.98 -3.45 0.00 0.00 179.45 179.23 3d9i h MET 26 N 0.28 1.14 -0.40 1.90 4.05 -0.97 -1.72 114.93 119.21 3d9i h MET 26 Ca 0.07 -0.07 -0.02 0.00 -0.28 0.00 0.00 59.70 59.40 3d9i h MET 26 Cb 0.50 -0.26 -0.02 0.00 -0.80 0.00 0.00 31.60 31.02 3d9i h MET 26 CO 0.02 0.75 0.16 1.15 0.23 0.00 0.00 176.91 179.23 3d9i h THR 27 N 1.17 1.20 -0.53 -0.77 2.02 -0.79 -2.02 112.91 113.19 3d9i h THR 27 Ca 0.41 -0.60 0.01 0.00 0.77 0.00 0.00 66.41 67.00 3d9i h THR 27 Cb 0.11 0.85 -0.03 0.00 -1.74 0.00 0.00 68.15 67.35 3d9i h THR 27 CO -0.15 0.22 0.34 1.56 0.37 0.00 0.00 175.52 177.86 3d9i h GLN 28 N 0.50 0.68 -0.20 6.66 4.20 -0.70 0.68 115.11 126.93 3d9i h GLN 28 Ca 0.13 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.79 3d9i h GLN 28 Cb 0.19 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 27.81 3d9i h GLN 28 CO -0.01 0.45 0.08 0.82 -0.67 0.00 0.00 178.83 179.50 3d9i h ILE 29 N 0.70 1.16 -0.21 2.54 2.04 -1.28 -1.99 117.51 120.47 3d9i h ILE 29 Ca 0.20 -0.47 -0.00 0.00 1.00 0.00 0.00 64.86 65.59 3d9i h ILE 29 Cb -0.05 1.10 -0.01 0.00 -0.74 0.00 0.00 36.82 37.12 3d9i h ILE 29 CO -0.06 0.15 0.12 0.74 0.00 0.00 0.00 178.15 179.11 3d9i h THR 30 N 0.17 1.09 -0.67 -0.27 2.02 -1.12 -0.77 112.91 113.36 3d9i h THR 30 Ca 0.07 -0.21 0.04 0.00 0.77 0.00 0.00 66.41 67.07 3d9i h THR 30 Cb 0.16 0.86 -0.04 0.00 -1.74 0.00 0.00 68.15 67.38 3d9i h THR 30 CO -0.01 0.08 0.41 0.11 0.37 0.00 0.00 175.52 176.48 3d9i h LYS 31 N 0.25 0.77 -0.85 6.66 1.57 -0.84 -0.84 116.57 123.28 3d9i h LYS 31 Ca 0.07 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 3d9i h LYS 31 Cb 0.03 -0.17 -0.04 0.00 0.08 0.00 0.00 32.23 32.12 3d9i h LYS 31 CO -0.01 0.51 0.51 0.00 -0.57 0.00 0.00 179.45 179.89 3d9i h ALA 32 N 1.30 1.09 -0.23 3.86 0.00 -1.14 -1.52 119.26 122.61 3d9i h ALA 32 Ca 0.27 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 55.09 3d9i h ALA 32 Cb 0.05 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 3d9i h ALA 32 CO -0.12 0.55 0.14 0.00 0.00 0.00 0.00 179.25 179.82 3d9i h ALA 33 N 1.28 0.29 -0.64 0.00 0.00 -0.48 -2.13 119.26 117.56 3d9i h ALA 33 Ca 0.31 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.18 3d9i h ALA 33 Cb -0.04 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 3d9i h ALA 33 CO -0.06 -0.26 0.29 0.82 0.00 0.00 0.00 179.25 180.05 3d9i h ILE 34 N 0.29 1.23 0.00 0.00 1.08 -1.06 -2.21 117.51 116.84 3d9i h ILE 34 Ca 0.09 -0.67 -0.03 0.00 -0.39 0.00 0.00 64.86 63.86 3d9i h ILE 34 Cb -0.01 0.47 -0.00 0.00 -3.07 0.00 0.00 36.82 34.20 3d9i h ILE 34 CO -0.03 0.27 -0.12 0.11 -0.69 0.00 0.00 178.15 177.68 3d9i h LYS 35 N 0.90 0.00 -0.87 2.37 1.57 -1.15 -2.32 116.57 117.06 3d9i h LYS 35 Ca 0.22 0.00 -0.23 0.00 -1.87 0.00 0.00 60.65 58.77 3d9i h LYS 35 Cb 0.15 0.00 -0.13 0.00 0.08 0.00 0.00 32.23 32.33 3d9i h LYS 35 CO -0.02 0.12 0.29 0.00 -0.57 0.00 0.00 179.45 179.27 3d9i n ALA 36 N -2.32 4.28 0.27 3.86 0.00 -0.81 -4.64 120.51 121.16 3d9i n ALA 36 Ca -0.02 -1.85 0.11 0.00 0.00 0.00 0.00 53.44 51.68 3d9i n ALA 36 Cb 0.23 -1.24 0.74 0.00 0.00 0.00 0.00 19.45 19.19 3d9i n ALA 36 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 3d9i h ILE 37 N 1.66 0.80 -0.85 0.00 2.10 -1.33 0.15 117.51 120.05 3d9i h ILE 37 Ca 0.28 -0.09 0.15 0.00 1.08 0.00 0.00 64.86 66.28 3d9i h ILE 37 Cb 2.07 1.05 -0.06 0.00 -1.09 0.00 0.00 36.82 38.78 3d9i h ILE 37 CO 0.63 0.02 0.55 0.50 -1.08 0.00 0.00 178.15 178.78 3d9i h LYS 38 N 0.00 0.56 -0.88 2.19 3.64 -1.87 -1.74 116.57 118.47 3d9i h LYS 38 Ca -0.00 -0.03 -0.60 0.00 -1.27 0.00 0.00 60.65 58.75 3d9i h LYS 38 Cb 0.05 -0.13 -0.32 0.00 -0.41 0.00 0.00 32.23 31.42 3d9i h LYS 38 CO 0.00 0.37 0.29 1.19 -2.27 0.00 0.00 179.45 179.03 3d9i n PHE 39 N -4.53 2.94 0.08 1.91 3.01 0.52 -4.74 117.46 116.66 3d9i n PHE 39 Ca 0.17 -2.63 0.11 0.00 1.01 0.00 0.00 57.45 56.10 3d9i n PHE 39 Cb 0.51 -1.03 0.58 0.00 -0.01 0.00 0.00 39.48 39.53 3d9i n PHE 39 CO 0.00 0.00 0.00 0.10 1.01 0.00 0.00 176.76 177.87 3d9i h TYR 40 N 1.93 0.19 -0.52 1.38 -0.00 -1.30 -0.64 116.97 118.02 3d9i h TYR 40 Ca 0.51 0.00 -0.03 0.00 0.00 0.00 0.00 58.73 59.22 3d9i h TYR 40 Cb 1.21 -0.06 -0.02 0.00 0.00 0.00 0.00 36.73 37.85 3d9i h TYR 40 CO 1.25 0.11 0.22 0.87 -0.00 0.00 0.00 178.16 180.60 3d9i h LYS 41 N 0.20 0.77 -0.59 0.10 1.57 -1.86 -1.38 116.57 115.37 3d9i h LYS 41 Ca 0.14 -0.13 -0.06 0.00 -1.87 0.00 0.00 60.65 58.73 3d9i h LYS 41 Cb 0.31 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.47 3d9i h LYS 41 CO -0.02 0.67 0.13 1.25 -0.57 0.00 0.00 179.45 180.91 3d9i h HIS 42 N 0.69 1.00 -0.29 -1.35 2.76 -1.54 -1.56 115.15 114.86 3d9i h HIS 42 Ca 0.17 -0.12 0.06 0.00 -2.20 0.00 0.00 60.37 58.28 3d9i h HIS 42 Cb 0.18 -0.28 -0.05 0.00 1.55 0.00 0.00 27.41 28.81 3d9i h HIS 42 CO 0.00 0.85 -0.05 0.28 -1.30 0.00 0.00 177.93 177.72 3d9i h VAL 43 N 0.85 0.74 -0.45 5.26 2.07 -1.12 0.15 116.25 123.75 3d9i h VAL 43 Ca 0.18 -0.01 -0.01 0.00 0.82 0.00 0.00 66.70 67.69 3d9i h VAL 43 Cb 0.36 0.71 -0.02 0.00 -1.52 0.00 0.00 31.29 30.82 3d9i h VAL 43 CO 0.00 0.00 0.25 0.58 0.02 0.00 0.00 177.57 178.42 3d9i h VAL 44 N 0.03 1.16 -0.62 2.57 2.07 -1.09 -1.27 116.25 119.10 3d9i h VAL 44 Ca 0.14 -0.42 -0.01 0.00 0.82 0.00 0.00 66.70 67.23 3d9i h VAL 44 Cb 0.20 0.62 -0.03 0.00 -1.52 0.00 0.00 31.29 30.56 3d9i h VAL 44 CO -0.28 0.17 0.35 -0.61 0.02 0.00 0.00 177.57 177.23 3d9i h GLN 45 N 0.59 0.85 -0.90 1.57 5.75 -1.01 -0.65 115.11 121.32 3d9i h GLN 45 Ca 0.16 -0.09 -0.02 0.00 -0.15 0.00 0.00 58.65 58.55 3d9i h GLN 45 Cb 0.05 -0.17 -0.04 0.00 1.07 0.00 0.00 27.48 28.39 3d9i h GLN 45 CO -0.03 0.63 0.48 0.77 -2.65 0.00 0.00 178.83 178.04 3d9i h SER 46 N 0.84 1.13 -0.28 -0.69 0.02 -0.45 0.51 113.55 114.63 3d9i h SER 46 Ca 0.22 -0.10 -0.18 0.00 -0.84 0.00 0.00 61.79 60.88 3d9i h SER 46 Cb 0.02 -0.29 0.00 0.00 0.14 0.00 0.00 62.40 62.27 3d9i h SER 46 CO -0.04 0.91 -0.53 0.58 -1.14 0.00 0.00 176.83 176.61 3d9i h VAL 47 N 1.26 1.28 -0.78 2.27 2.07 -0.94 -1.02 116.25 120.38 3d9i h VAL 47 Ca 0.31 -1.72 -0.02 0.00 0.82 0.00 0.00 66.70 66.09 3d9i h VAL 47 Cb 0.04 1.66 -0.04 0.00 -1.52 0.00 0.00 31.29 31.43 3d9i h VAL 47 CO -0.05 0.56 0.39 -0.33 0.02 0.00 0.00 177.57 178.16 3d9i h GLU 48 N 0.63 1.12 -0.34 1.57 5.08 -0.90 -1.47 114.58 120.28 3d9i h GLU 48 Ca 0.01 -0.16 -0.01 0.00 -1.00 0.00 0.00 59.36 58.21 3d9i h GLU 48 Cb 1.14 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 30.17 3d9i h GLU 48 CO 0.12 0.86 0.17 -0.22 -1.00 0.00 0.00 179.01 178.94 3d9i h LYS 49 N 1.10 0.47 -0.24 2.33 3.64 -0.80 -0.32 116.57 122.76 3d9i h LYS 49 Ca 0.27 -0.06 0.05 0.00 -1.27 0.00 0.00 60.65 59.64 3d9i h LYS 49 Cb 0.09 -0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 31.78 3d9i h LYS 49 CO -0.04 0.41 -0.05 0.35 -2.27 0.00 0.00 179.45 177.86 3d9i h PHE 50 N 0.41 -0.11 -0.56 1.91 3.57 -1.02 -1.28 116.94 119.86 3d9i h PHE 50 Ca 0.12 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.58 3d9i h PHE 50 Cb 0.09 0.09 -0.03 0.00 2.79 0.00 0.00 35.95 38.89 3d9i h PHE 50 CO -0.02 -0.09 0.13 0.82 -2.23 0.00 0.00 178.31 176.91 3d9i h ILE 51 N 0.01 1.23 -0.18 1.41 2.04 -0.98 -0.49 117.51 120.55 3d9i h ILE 51 Ca 0.12 -0.85 -0.01 0.00 1.00 0.00 0.00 64.86 65.12 3d9i h ILE 51 Cb 0.17 0.66 -0.01 0.00 -0.74 0.00 0.00 36.82 36.91 3d9i h ILE 51 CO -0.24 0.32 0.07 -0.61 0.00 0.00 0.00 178.15 177.69 3d9i h GLN 52 N 0.83 0.27 0.00 2.37 4.15 -0.76 -3.36 115.11 118.62 3d9i h GLN 52 Ca 0.18 -0.05 -0.07 0.00 0.77 0.00 0.00 58.65 59.48 3d9i h GLN 52 Cb 0.31 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 27.95 3d9i h GLN 52 CO 0.00 0.34 -1.38 1.63 -1.93 0.00 0.00 178.83 177.49 3d9i n LYS 53 N -4.85 0.62 -1.27 1.69 4.76 -0.51 -5.00 118.16 113.62 3d9i n LYS 53 Ca -0.04 0.09 -0.31 0.00 -2.87 0.00 0.00 58.31 55.18 3d9i n LYS 53 Cb 0.12 -1.75 0.09 0.00 -1.84 0.00 0.00 35.03 31.65 3d9i n LYS 53 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3d9i s LYS 55 N -4.91 2.54 0.32 0.00 -0.14 -1.26 -4.88 119.74 111.41 3d9i s LYS 55 Ca 0.61 1.54 0.09 0.00 -1.36 0.00 0.00 55.97 56.85 3d9i s LYS 55 Cb -0.17 -1.90 0.86 0.00 -1.68 0.00 0.00 37.83 34.93 3d9i s LYS 55 CO 0.56 -1.48 1.74 -1.35 -0.76 0.00 0.00 175.35 174.06 3d9i h PRO 56 N -0.09 0.60 0.00 -1.68 0.11 -1.95 -0.11 132.00 128.88 3d9i h PRO 56 Ca -0.47 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3d9i h PRO 56 Cb 1.27 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.24 3d9i h PRO 56 CO 0.52 0.40 0.00 -0.85 -0.21 0.00 0.00 178.00 177.86 3d9i n GLU 57 N -4.85 0.17 0.00 1.05 0.28 -1.26 -2.57 120.64 113.45 3d9i n GLU 57 Ca 0.26 0.53 0.11 0.00 -0.16 0.00 0.00 57.16 57.90 3d9i n GLU 57 Cb 0.71 -1.91 0.00 0.00 1.43 0.00 0.00 31.44 31.67 3d9i n GLU 57 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 3d9i n TYR 58 N -2.24 0.00 0.14 -1.84 4.02 -0.06 -4.45 117.16 112.74 3d9i n TYR 58 Ca 0.00 0.00 -0.13 0.00 -0.01 0.00 0.00 57.90 57.76 3d9i n TYR 58 Cb 0.13 0.00 -0.06 0.00 -0.02 0.00 0.00 39.34 39.39 3d9i n TYR 58 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 176.86 176.72 3d9i h LYS 59 N 2.66 -0.41 -0.26 -0.72 1.79 -1.54 -0.68 116.57 117.40 3d9i h LYS 59 Ca 0.00 0.03 -0.01 0.00 -2.18 0.00 0.00 60.65 58.49 3d9i h LYS 59 Cb 0.78 0.09 -0.01 0.00 -1.58 0.00 0.00 32.23 31.51 3d9i h LYS 59 CO 0.00 -0.28 0.12 0.28 -1.08 0.00 0.00 179.45 178.49 3d9i h VAL 60 N -0.43 1.15 -0.80 0.50 2.07 -1.80 -0.87 116.25 116.08 3d9i h VAL 60 Ca 0.00 -0.45 0.19 0.00 0.82 0.00 0.00 66.70 67.26 3d9i h VAL 60 Cb 0.41 0.98 -0.12 0.00 -1.52 0.00 0.00 31.29 31.04 3d9i h VAL 60 CO -0.06 0.16 0.21 -0.65 0.02 0.00 0.00 177.57 177.24 3d9i h PRO 61 N 0.28 0.25 -0.51 1.57 0.11 -1.78 0.19 132.00 132.10 3d9i h PRO 61 Ca 0.09 -0.02 0.07 0.00 0.11 0.00 0.00 66.00 66.25 3d9i h PRO 61 Cb 0.14 -0.06 -0.06 0.00 0.11 0.00 0.00 31.00 31.14 3d9i h PRO 61 CO -0.01 0.17 0.20 0.78 -0.21 0.00 0.00 178.00 178.93 3d9i h GLY 62 N 0.26 0.70 0.99 -0.55 0.00 -0.10 -0.72 103.07 103.64 3d9i h GLY 62 Ca 0.47 -0.12 -0.02 0.00 0.00 0.00 0.00 47.33 47.67 3d9i h GLY 62 CO -0.57 0.03 0.29 -2.00 0.00 0.00 0.00 176.54 174.29 3d9i h LEU 63 N 0.39 0.74 -1.51 3.11 5.85 -0.32 -2.27 115.31 121.31 3d9i h LEU 63 Ca 0.24 -0.12 0.06 0.00 0.84 0.00 0.00 57.88 58.91 3d9i h LEU 63 Cb 0.24 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.05 3d9i h LEU 63 CO -0.23 0.64 0.41 1.88 -0.34 0.00 0.00 178.44 180.80 3d9i h TYR 64 N 0.78 0.60 -0.11 1.25 0.05 -0.18 0.00 116.97 119.37 3d9i h TYR 64 Ca 0.20 0.02 -0.01 0.00 0.05 0.00 0.00 58.73 58.99 3d9i h TYR 64 Cb 0.09 -0.20 -0.00 0.00 1.01 0.00 0.00 36.73 37.63 3d9i h TYR 64 CO -0.01 0.32 0.04 0.28 -1.05 0.00 0.00 178.16 177.75 3d9i h VAL 65 N 0.60 1.15 -0.15 -2.88 2.07 -0.59 0.11 116.25 116.54 3d9i h VAL 65 Ca 0.27 -0.43 0.04 0.00 0.82 0.00 0.00 66.70 67.40 3d9i h VAL 65 Cb 0.29 1.24 -0.05 0.00 -1.52 0.00 0.00 31.29 31.25 3d9i h VAL 65 CO -0.08 0.13 -0.15 0.40 0.02 0.00 0.00 177.57 177.89 3d9i h ILE 66 N 0.02 0.59 -0.32 4.57 2.04 -0.90 -0.72 117.51 122.79 3d9i h ILE 66 Ca 0.04 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.93 3d9i h ILE 66 Cb 0.17 0.59 -0.04 0.00 -0.74 0.00 0.00 36.82 36.80 3d9i h ILE 66 CO -0.00 0.00 0.10 -0.78 0.00 0.00 0.00 178.15 177.46 3d9i h ASP 67 N -0.17 0.08 -0.36 1.72 3.58 -0.81 -1.10 116.42 119.36 3d9i h ASP 67 Ca 0.10 0.04 -0.10 0.00 0.42 0.00 0.00 57.03 57.49 3d9i h ASP 67 Cb 0.32 0.04 -0.01 0.00 1.72 0.00 0.00 39.33 41.40 3d9i h ASP 67 CO -0.26 0.08 -0.16 -1.28 -2.88 0.00 0.00 179.24 174.74 3d9i h SER 68 N 0.23 0.76 0.14 2.28 0.87 -0.54 -1.42 113.55 115.87 3d9i h SER 68 Ca 0.15 -0.40 -0.00 0.00 -1.23 0.00 0.00 61.79 60.30 3d9i h SER 68 Cb 0.13 -0.21 -0.00 0.00 -0.44 0.00 0.00 62.40 61.88 3d9i h SER 68 CO -0.17 1.00 -0.09 0.40 -0.53 0.00 0.00 176.83 177.44 3d9i h ILE 69 N 0.53 0.81 -0.33 2.23 2.04 -0.97 -1.38 117.51 120.44 3d9i h ILE 69 Ca 0.08 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.95 3d9i h ILE 69 Cb 0.70 0.81 -0.02 0.00 -0.74 0.00 0.00 36.82 37.57 3d9i h ILE 69 CO 0.05 0.00 0.19 0.58 0.00 0.00 0.00 178.15 178.97 3d9i h VAL 70 N -0.23 1.03 -0.64 1.67 2.07 -1.15 -0.31 116.25 118.70 3d9i h VAL 70 Ca -0.01 -0.13 -0.06 0.00 0.82 0.00 0.00 66.70 67.32 3d9i h VAL 70 Cb 0.19 0.61 -0.03 0.00 -1.52 0.00 0.00 31.29 30.54 3d9i h VAL 70 CO 0.01 0.07 0.17 0.03 0.02 0.00 0.00 177.57 177.88 3d9i h ARG 71 N 0.39 1.01 -0.40 1.57 3.08 -1.24 -0.36 114.38 118.43 3d9i h ARG 71 Ca 0.13 -0.23 -0.08 0.00 0.07 0.00 0.00 59.98 59.87 3d9i h ARG 71 Cb 0.00 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 29.90 3d9i h ARG 71 CO -0.06 0.90 -0.07 0.37 -1.07 0.00 0.00 179.97 180.03 3d9i h GLN 72 N 0.93 0.76 -0.42 0.04 5.75 -1.08 -1.91 115.11 119.18 3d9i h GLN 72 Ca 0.20 -0.28 -0.03 0.00 -0.15 0.00 0.00 58.65 58.39 3d9i h GLN 72 Cb 0.33 -0.05 -0.02 0.00 1.07 0.00 0.00 27.48 28.82 3d9i h GLN 72 CO -0.00 0.88 0.14 1.03 -2.65 0.00 0.00 178.83 178.23 3d9i h SER 73 N 0.58 0.60 -0.89 -0.69 0.87 -0.88 0.84 113.55 113.97 3d9i h SER 73 Ca 0.10 -0.19 0.06 0.00 -1.23 0.00 0.00 61.79 60.53 3d9i h SER 73 Cb 0.59 -0.16 -0.06 0.00 -0.44 0.00 0.00 62.40 62.33 3d9i h SER 73 CO 0.04 0.64 0.56 0.03 -0.53 0.00 0.00 176.83 177.56 3d9i h ARG 74 N 0.54 1.00 -0.20 2.24 3.08 -1.06 0.46 114.38 120.43 3d9i h ARG 74 Ca 0.14 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 60.10 3d9i h ARG 74 Cb 0.24 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 30.06 3d9i h ARG 74 CO -0.01 0.66 0.03 1.25 -1.07 0.00 0.00 179.97 180.84 3d9i h HIS 75 N 1.03 0.36 0.06 3.04 2.76 -1.02 -1.24 115.15 120.14 3d9i h HIS 75 Ca 0.38 -0.05 -0.25 0.00 -2.20 0.00 0.00 60.37 58.26 3d9i h HIS 75 Cb 0.15 -0.10 0.00 0.00 1.55 0.00 0.00 27.41 29.01 3d9i h HIS 75 CO -0.02 0.48 -1.08 0.37 -1.30 0.00 0.00 177.93 176.37 3d9i h GLN 76 N 0.14 0.33 0.00 5.26 4.15 -0.51 -3.36 115.11 121.11 3d9i h GLN 76 Ca 0.06 -0.44 0.00 0.00 0.77 0.00 0.00 58.65 59.04 3d9i h GLN 76 Cb 0.31 0.14 0.00 0.00 0.21 0.00 0.00 27.48 28.15 3d9i h GLN 76 CO 0.00 1.15 -0.78 1.19 -1.93 0.00 0.00 178.83 178.46 3d9i n PHE 77 N -3.64 0.00 0.00 3.99 3.01 0.12 -5.08 117.46 115.86 3d9i n PHE 77 Ca -0.07 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.39 3d9i n PHE 77 Cb 0.92 -0.08 0.00 0.00 -0.01 0.00 0.00 39.48 40.32 3d9i n PHE 77 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3d9i n GLY 78 N 1.50 2.67 0.36 1.37 0.00 -0.48 -4.45 105.19 106.16 3d9i n GLY 78 Ca 0.00 -1.62 -0.01 0.00 0.00 0.00 0.00 46.02 44.39 3d9i n GLY 78 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3d9i h GLN 79 N 0.00 1.17 0.00 1.61 4.20 -1.84 -1.25 115.11 119.00 3d9i h GLN 79 Ca 0.00 -0.07 -0.03 0.00 0.06 0.00 0.00 58.65 58.61 3d9i h GLN 79 Cb 0.00 -0.26 -0.00 0.00 0.30 0.00 0.00 27.48 27.51 3d9i h GLN 79 CO 0.00 0.78 -0.13 0.93 -0.67 0.00 0.00 178.83 179.74 3d9i h GLU 80 N 1.20 0.00 0.00 1.46 4.39 -1.90 -3.29 114.58 116.45 3d9i h GLU 80 Ca 0.32 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.02 3d9i h GLU 80 Cb -0.13 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.52 3d9i h GLU 80 CO -0.07 0.13 -1.41 1.63 -1.16 0.00 0.00 179.01 178.13 3d9i n LYS 81 N -3.16 0.55 -1.66 2.33 4.76 -0.69 -4.95 118.16 115.35 3d9i n LYS 81 Ca 0.02 -0.03 -0.47 0.00 -2.87 0.00 0.00 58.31 54.96 3d9i n LYS 81 Cb 0.51 -1.65 -0.05 0.00 -1.84 0.00 0.00 35.03 32.01 3d9i n LYS 81 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 3d9i n ASP 82 N -2.35 2.84 0.01 4.39 2.03 -0.56 -4.89 116.55 118.02 3d9i n ASP 82 Ca -0.01 1.09 0.11 0.00 0.52 0.00 0.00 54.79 56.49 3d9i n ASP 82 Cb 0.53 -1.38 -0.04 0.00 -0.72 0.00 0.00 41.12 39.51 3d9i n ASP 82 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 3d9i n VAL 83 N 3.33 0.06 -0.03 5.18 0.24 -1.26 -4.58 118.33 121.27 3d9i n VAL 83 Ca 0.17 -0.17 -0.15 0.00 -2.04 0.00 0.00 64.34 62.16 3d9i n VAL 83 Cb 0.27 0.48 -0.12 0.00 -1.47 0.00 0.00 33.84 33.00 3d9i n VAL 83 CO 0.00 0.00 0.00 -0.26 -2.14 0.00 0.00 176.83 174.43 3d9i h PHE 84 N 0.00 0.18 -0.15 6.34 -1.00 -1.95 -2.79 116.94 117.57 3d9i h PHE 84 Ca 0.00 -0.11 0.02 0.00 2.81 0.00 0.00 57.97 60.69 3d9i h PHE 84 Cb 0.66 -0.02 -0.02 0.00 3.61 0.00 0.00 35.95 40.18 3d9i h PHE 84 CO 0.00 0.96 0.01 0.00 -1.61 0.00 0.00 178.31 177.68 3d9i h ALA 85 N 0.17 0.14 -0.82 2.45 0.00 -1.91 0.12 119.26 119.42 3d9i h ALA 85 Ca -0.03 0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.93 3d9i h ALA 85 Cb 1.03 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.83 3d9i h ALA 85 CO 0.04 -0.43 0.54 -1.35 0.00 0.00 0.00 179.25 178.05 3d9i h PRO 86 N 0.07 1.04 -0.17 0.00 0.11 -1.81 -0.84 132.00 130.40 3d9i h PRO 86 Ca 0.07 -0.06 -0.04 0.00 0.11 0.00 0.00 66.00 66.07 3d9i h PRO 86 Cb 0.07 -0.23 -0.00 0.00 0.11 0.00 0.00 31.00 30.94 3d9i h PRO 86 CO -0.11 0.69 -0.07 -0.09 -0.21 0.00 0.00 178.00 178.21 3d9i h ARG 87 N 1.07 0.34 0.00 1.05 9.65 -1.17 -2.85 114.38 122.47 3d9i h ARG 87 Ca 0.31 -0.14 -0.00 0.00 -1.10 0.00 0.00 59.98 59.04 3d9i h ARG 87 Cb -0.06 -0.01 -0.00 0.00 -1.39 0.00 0.00 29.97 28.50 3d9i h ARG 87 CO -0.08 0.64 -0.01 0.74 2.80 0.00 0.00 179.97 184.07 3d9i h PHE 88 N 0.03 0.00 -0.00 2.20 0.05 -0.54 -2.62 116.94 116.06 3d9i h PHE 88 Ca 0.04 0.00 -0.05 0.00 3.82 0.00 0.00 57.97 61.77 3d9i h PHE 88 Cb 0.54 0.00 -0.01 0.00 2.00 0.00 0.00 35.95 38.48 3d9i h PHE 88 CO 0.06 0.01 -0.26 0.77 -0.18 0.00 0.00 178.31 178.71 3d9i h SER 89 N 0.00 0.00 -0.18 2.17 0.02 -0.91 -3.14 113.55 111.52 3d9i h SER 89 Ca -0.00 -0.00 0.05 0.00 -0.84 0.00 0.00 61.79 61.00 3d9i h SER 89 Cb 0.01 -0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.50 3d9i h SER 89 CO 0.00 0.26 -0.13 0.78 -1.14 0.00 0.00 176.83 176.59 3d9i h ASN 90 N 0.00 -0.43 -0.42 3.07 2.35 -1.50 -2.94 115.58 115.71 3d9i h ASN 90 Ca -0.00 0.09 -0.03 0.00 -0.55 0.00 0.00 56.30 55.81 3d9i h ASN 90 Cb 0.45 0.22 -0.02 0.00 0.05 0.00 0.00 38.32 39.03 3d9i h ASN 90 CO 0.03 -0.17 0.02 0.59 -1.65 0.00 0.00 177.43 176.25 3d9i n ASN 91 N -5.29 4.57 0.09 5.81 3.02 -1.22 -4.75 115.26 117.48 3d9i n ASN 91 Ca -0.02 -3.04 0.00 0.00 -0.03 0.00 0.00 54.58 51.49 3d9i n ASN 91 Cb 0.20 -0.62 0.31 0.00 -0.61 0.00 0.00 39.78 39.06 3d9i n ASN 91 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 3d9i h ILE 92 N 2.61 1.23 -0.04 2.41 2.10 -1.47 -0.77 117.51 123.58 3d9i h ILE 92 Ca 0.03 -1.08 -0.00 0.00 1.08 0.00 0.00 64.86 64.90 3d9i h ILE 92 Cb 1.73 1.35 -0.00 0.00 -1.09 0.00 0.00 36.82 38.81 3d9i h ILE 92 CO 0.37 0.33 0.02 0.40 -1.08 0.00 0.00 178.15 178.20 3d9i h ILE 93 N 0.27 1.04 -0.62 2.19 1.08 -1.85 -0.51 117.51 119.10 3d9i h ILE 93 Ca 0.05 -0.10 -0.02 0.00 -0.39 0.00 0.00 64.86 64.39 3d9i h ILE 93 Cb 0.54 1.04 -0.03 0.00 -3.07 0.00 0.00 36.82 35.31 3d9i h ILE 93 CO 0.04 0.03 0.31 -1.28 -0.69 0.00 0.00 178.15 176.56 3d9i h SER 94 N 0.02 0.81 -0.47 1.72 0.87 -1.76 -0.08 113.55 114.66 3d9i h SER 94 Ca 0.01 -0.12 0.07 0.00 -1.23 0.00 0.00 61.79 60.52 3d9i h SER 94 Cb 0.03 -0.21 -0.06 0.00 -0.44 0.00 0.00 62.40 61.73 3d9i h SER 94 CO -0.00 0.70 0.15 0.74 -0.53 0.00 0.00 176.83 177.88 3d9i h THR 95 N 0.86 0.82 -0.01 2.23 2.02 -0.92 -2.01 112.91 115.90 3d9i h THR 95 Ca 0.22 -0.11 -0.17 0.00 0.77 0.00 0.00 66.41 67.12 3d9i h THR 95 Cb 0.10 0.48 -0.02 0.00 -1.74 0.00 0.00 68.15 66.97 3d9i h THR 95 CO -0.03 0.06 -0.76 -0.26 0.37 0.00 0.00 175.52 174.90 3d9i h PHE 96 N 0.31 0.18 -0.73 3.16 -1.00 -0.66 -0.08 116.94 118.13 3d9i h PHE 96 Ca 0.23 -0.09 0.14 0.00 2.81 0.00 0.00 57.97 61.05 3d9i h PHE 96 Cb 0.25 -0.02 -0.09 0.00 3.61 0.00 0.00 35.95 39.69 3d9i h PHE 96 CO -0.17 0.84 0.27 1.96 -1.61 0.00 0.00 178.31 179.59 3d9i h GLN 97 N 0.08 0.40 -0.18 1.51 4.20 -0.76 0.16 115.11 120.53 3d9i h GLN 97 Ca -0.02 -0.02 -0.19 0.00 0.06 0.00 0.00 58.65 58.47 3d9i h GLN 97 Cb 1.34 -0.09 0.01 0.00 0.30 0.00 0.00 27.48 29.03 3d9i h GLN 97 CO 0.11 0.26 -0.64 -0.91 -0.67 0.00 0.00 178.83 176.99 3d9i h ASN 98 N 0.41 0.86 -0.84 1.46 2.35 -0.81 -3.19 115.58 115.82 3d9i h ASN 98 Ca 0.40 -0.60 0.05 0.00 -0.55 0.00 0.00 56.30 55.59 3d9i h ASN 98 Cb 0.60 -0.25 -0.05 0.00 0.05 0.00 0.00 38.32 38.66 3d9i h ASN 98 CO -0.40 1.32 0.55 -0.07 -1.65 0.00 0.00 177.43 177.18 3d9i h LEU 99 N 0.46 0.87 0.00 1.61 3.38 -0.60 -2.54 115.31 118.49 3d9i h LEU 99 Ca -0.03 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 3d9i h LEU 99 Cb 1.27 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.82 3d9i h LEU 99 CO 0.13 0.58 0.00 -1.22 0.09 0.00 0.00 178.44 178.03 3d9i n TYR 100 N -4.46 0.00 -0.24 1.13 0.53 0.01 -2.38 117.16 111.75 3d9i n TYR 100 Ca 0.12 0.00 -0.12 0.00 -1.02 0.00 0.00 57.90 56.87 3d9i n TYR 100 Cb 0.15 -0.14 0.07 0.00 -1.03 0.00 0.00 39.34 38.39 3d9i n TYR 100 CO 0.00 0.00 0.00 0.54 -1.02 0.00 0.00 176.86 176.38 3d9i n ARG 101 N -1.14 1.62 -2.23 -0.72 1.74 -0.96 -4.92 116.66 110.06 3d9i n ARG 101 Ca 0.13 -1.41 -0.26 0.00 -0.77 0.00 0.00 57.85 55.53 3d9i n ARG 101 Cb 0.11 -1.55 0.06 0.00 -1.02 0.00 0.00 32.46 30.06 3d9i n ARG 101 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3d9i n PRO 103 N -2.88 1.02 -0.29 0.00 -0.02 -1.26 -4.89 135.00 126.69 3d9i n PRO 103 Ca 0.08 0.40 0.07 0.00 -2.02 0.00 0.00 63.50 62.04 3d9i n PRO 103 Cb 0.60 -2.46 0.23 0.00 -0.02 0.00 0.00 33.50 31.85 3d9i n PRO 103 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 3d9i h GLY 104 N 0.44 1.34 1.84 -1.23 0.00 -1.96 0.29 103.07 103.79 3d9i h GLY 104 Ca -0.50 -0.21 0.00 0.00 0.00 0.00 0.00 47.33 46.61 3d9i h GLY 104 CO 0.52 -0.09 0.00 2.09 0.00 0.00 0.00 176.54 179.07 3d9i n ASP 105 N -4.93 0.00 0.06 0.19 5.68 -1.26 -2.39 116.55 113.89 3d9i n ASP 105 Ca 0.17 0.34 0.12 0.00 -0.50 0.00 0.00 54.79 54.92 3d9i n ASP 105 Cb 0.46 -0.42 0.18 0.00 -1.14 0.00 0.00 41.12 40.20 3d9i n ASP 105 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 3d9i n ASP 106 N -1.42 0.69 -0.34 -1.12 8.00 0.09 -4.32 116.55 118.14 3d9i n ASP 106 Ca 0.05 0.11 0.02 0.00 0.71 0.00 0.00 54.79 55.67 3d9i n ASP 106 Cb 0.14 0.16 0.17 0.00 -0.02 0.00 0.00 41.12 41.57 3d9i n ASP 106 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 3d9i h LYS 107 N 0.00 1.00 0.00 -1.24 1.57 -1.52 -1.83 116.57 114.55 3d9i h LYS 107 Ca 0.00 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 58.69 3d9i h LYS 107 Cb 0.73 -0.23 -0.00 0.00 0.08 0.00 0.00 32.23 32.81 3d9i h LYS 107 CO 0.00 0.66 -0.13 0.66 -0.57 0.00 0.00 179.45 180.08 3d9i h SER 108 N 1.03 0.00 0.03 0.86 4.64 -1.80 -2.41 113.55 115.90 3d9i h SER 108 Ca 0.41 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.56 3d9i h SER 108 Cb 0.22 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.30 3d9i h SER 108 CO -0.19 0.13 -0.58 0.11 -0.87 0.00 0.00 176.83 175.43 3d9i h LYS 109 N 0.00 0.56 -0.06 4.77 1.57 -1.59 -1.08 116.57 120.74 3d9i h LYS 109 Ca -0.00 -0.37 -0.01 0.00 -1.87 0.00 0.00 60.65 58.40 3d9i h LYS 109 Cb 0.37 0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.73 3d9i h LYS 109 CO 0.02 0.98 0.01 0.82 -0.57 0.00 0.00 179.45 180.70 3d9i h ILE 110 N 0.42 1.23 -0.92 1.86 2.04 -1.37 -2.35 117.51 118.43 3d9i h ILE 110 Ca 0.00 -0.69 -0.01 0.00 1.00 0.00 0.00 64.86 65.15 3d9i h ILE 110 Cb 1.13 1.58 -0.04 0.00 -0.74 0.00 0.00 36.82 38.75 3d9i h ILE 110 CO 0.11 0.19 0.52 0.58 0.00 0.00 0.00 178.15 179.55 3d9i h VAL 111 N -0.16 1.26 -0.36 1.67 2.07 -1.44 -0.92 116.25 118.37 3d9i h VAL 111 Ca 0.02 -0.62 0.05 0.00 0.82 0.00 0.00 66.70 66.96 3d9i h VAL 111 Cb 0.30 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.03 3d9i h VAL 111 CO 0.00 0.29 0.10 -0.09 0.02 0.00 0.00 177.57 177.89 3d9i h ARG 112 N 1.28 0.23 -0.14 1.57 2.43 -1.12 0.21 114.38 118.85 3d9i h ARG 112 Ca 0.32 -0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.49 3d9i h ARG 112 Cb 0.00 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.49 3d9i h ARG 112 CO -0.05 0.15 0.06 0.28 -1.51 0.00 0.00 179.97 178.90 3d9i h VAL 113 N 0.24 0.98 -0.49 0.20 2.07 -1.00 -1.87 116.25 116.39 3d9i h VAL 113 Ca 0.17 -0.04 0.05 0.00 0.82 0.00 0.00 66.70 67.70 3d9i h VAL 113 Cb 0.17 0.84 -0.05 0.00 -1.52 0.00 0.00 31.29 30.73 3d9i h VAL 113 CO -0.20 0.02 0.22 -0.07 0.02 0.00 0.00 177.57 177.57 3d9i h LEU 114 N 0.13 0.28 -1.00 2.57 3.38 -0.81 0.09 115.31 119.94 3d9i h LEU 114 Ca 0.06 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 3d9i h LEU 114 Cb 0.02 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 40.72 3d9i h LEU 114 CO -0.05 0.20 0.52 0.78 0.09 0.00 0.00 178.44 179.98 3d9i h ASN 115 N 0.43 1.07 -0.23 -0.43 2.35 -0.44 -1.19 115.58 117.14 3d9i h ASN 115 Ca 0.22 -0.07 -0.14 0.00 -0.55 0.00 0.00 56.30 55.76 3d9i h ASN 115 Cb 0.17 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.26 3d9i h ASN 115 CO -0.18 0.83 -0.35 -0.07 -1.65 0.00 0.00 177.43 176.01 3d9i h LEU 116 N 1.23 0.79 -0.67 1.61 3.38 -0.92 0.43 115.31 121.16 3d9i h LEU 116 Ca 0.32 -0.34 0.07 0.00 0.09 0.00 0.00 57.88 58.02 3d9i h LEU 116 Cb -0.03 -0.22 -0.06 0.00 0.09 0.00 0.00 40.66 40.44 3d9i h LEU 116 CO -0.06 1.06 0.35 -0.50 0.09 0.00 0.00 178.44 179.39 3d9i h TRP 117 N 0.63 0.64 -0.02 1.13 6.55 -0.55 0.31 115.95 124.64 3d9i h TRP 117 Ca 0.06 0.03 -0.00 0.00 0.95 0.00 0.00 58.89 59.92 3d9i h TRP 117 Cb 0.89 -0.19 -0.00 0.00 -0.86 0.00 0.00 29.16 28.99 3d9i h TRP 117 CO 0.05 0.28 0.00 0.37 -1.05 0.00 0.00 178.44 178.09 3d9i h GLN 118 N 0.64 0.04 -0.67 0.49 4.15 -1.01 0.17 115.11 118.93 3d9i h GLN 118 Ca 0.31 -0.01 0.10 0.00 0.77 0.00 0.00 58.65 59.82 3d9i h GLN 118 Cb 0.24 -0.00 -0.08 0.00 0.21 0.00 0.00 27.48 27.85 3d9i h GLN 118 CO -0.21 0.33 0.28 -0.22 -1.93 0.00 0.00 178.83 177.08 3d9i h LYS 119 N -0.25 0.47 -0.16 1.69 3.64 -0.72 -2.29 116.57 118.96 3d9i h LYS 119 Ca 0.01 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 3d9i h LYS 119 Cb 0.31 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.02 3d9i h LYS 119 CO 0.00 0.31 0.00 0.09 -2.27 0.00 0.00 179.45 177.58 3d9i n ASN 120 N -4.95 2.10 -3.60 4.20 5.03 0.08 -4.96 115.26 113.17 3d9i n ASN 120 Ca 0.10 -1.75 -0.26 0.00 0.87 0.00 0.00 54.58 53.55 3d9i n ASN 120 Cb 0.29 -0.10 0.05 0.00 -1.02 0.00 0.00 39.78 39.01 3d9i n ASN 120 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 3d9i n ASN 121 N 0.62 -5.65 0.04 6.41 3.02 0.09 -4.88 115.26 114.92 3d9i n ASN 121 Ca 0.17 -0.57 -0.05 0.00 -0.03 0.00 0.00 54.58 54.10 3d9i n ASN 121 Cb 0.42 -4.49 0.14 0.00 -0.61 0.00 0.00 39.78 35.24 3d9i n ASN 121 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 3d9i h VAL 122 N -2.17 1.32 -3.62 2.41 2.07 -1.05 -3.44 116.25 111.78 3d9i h VAL 122 Ca -0.56 -1.64 -0.33 0.00 0.82 0.00 0.00 66.70 64.99 3d9i h VAL 122 Cb 1.37 1.69 -0.17 0.00 -1.52 0.00 0.00 31.29 32.66 3d9i h VAL 122 CO 0.60 0.50 -0.73 -0.36 0.02 0.00 0.00 177.57 177.60 3d9i s PHE 123 N -4.11 1.16 0.57 1.57 0.40 -1.25 -4.98 117.98 111.34 3d9i s PHE 123 Ca -0.06 -0.67 -0.20 0.00 -0.60 0.00 0.00 56.93 55.40 3d9i s PHE 123 Cb 0.13 -0.62 -0.04 0.00 0.51 0.00 0.00 43.02 43.00 3d9i s PHE 123 CO 0.80 0.04 1.22 0.15 0.70 0.00 0.00 175.22 178.14 3d9i s LYS 124 N -3.05 3.09 0.34 0.44 1.02 -1.26 -4.75 119.74 115.57 3d9i s LYS 124 Ca 0.09 1.88 0.08 0.00 0.02 0.00 0.00 55.97 58.04 3d9i s LYS 124 Cb -0.02 -2.03 0.80 0.00 -0.52 0.00 0.00 37.83 36.06 3d9i s LYS 124 CO 0.00 -1.13 1.83 0.77 -0.92 0.00 0.00 175.35 175.91 3d9i h SER 125 N 1.11 0.70 -0.14 2.83 0.02 -1.97 -0.83 113.55 115.27 3d9i h SER 125 Ca -0.50 0.06 0.01 0.00 -0.84 0.00 0.00 61.79 60.52 3d9i h SER 125 Cb 1.29 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 63.75 3d9i h SER 125 CO 0.56 0.32 0.09 -0.08 -1.14 0.00 0.00 176.83 176.58 3d9i h GLU 126 N 0.72 0.13 0.19 3.45 4.81 -2.01 0.05 114.58 121.92 3d9i h GLU 126 Ca 0.50 -0.01 -0.28 0.00 -0.13 0.00 0.00 59.36 59.44 3d9i h GLU 126 Cb 0.81 -0.03 0.02 0.00 0.63 0.00 0.00 28.75 30.19 3d9i h GLU 126 CO -0.26 0.08 -1.27 0.82 -0.73 0.00 0.00 179.01 177.65 3d9i h ILE 127 N 0.13 1.28 0.01 2.32 1.08 -1.54 -3.40 117.51 117.39 3d9i h ILE 127 Ca 0.05 -2.57 -0.26 0.00 -0.39 0.00 0.00 64.86 61.70 3d9i h ILE 127 Cb 0.06 3.01 0.02 0.00 -3.07 0.00 0.00 36.82 36.84 3d9i h ILE 127 CO -0.01 0.77 -1.03 0.40 -0.69 0.00 0.00 178.15 177.59 3d9i h ILE 128 N -0.11 1.31 -0.56 -0.67 2.04 -0.96 -3.36 117.51 115.19 3d9i h ILE 128 Ca -0.24 -2.32 0.00 0.00 1.00 0.00 0.00 64.86 63.31 3d9i h ILE 128 Cb 1.91 2.41 -0.03 0.00 -0.74 0.00 0.00 36.82 40.37 3d9i h ILE 128 CO 0.19 0.71 0.37 -0.61 0.00 0.00 0.00 178.15 178.80 3d9i h GLN 129 N 0.34 0.74 0.00 2.37 5.75 -1.21 -0.88 115.11 122.22 3d9i h GLN 129 Ca -0.12 -0.05 -0.03 0.00 -0.15 0.00 0.00 58.65 58.31 3d9i h GLN 129 Cb 1.68 -0.17 -0.00 0.00 1.07 0.00 0.00 27.48 30.06 3d9i h GLN 129 CO 0.20 0.49 -0.13 -1.35 -2.65 0.00 0.00 178.83 175.39 3d9i h PRO 130 N 0.76 0.00 -0.28 -2.39 0.11 -1.78 0.16 132.00 128.58 3d9i h PRO 130 Ca 0.20 0.00 -0.18 0.00 0.11 0.00 0.00 66.00 66.14 3d9i h PRO 130 Cb -0.08 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.03 3d9i h PRO 130 CO -0.04 0.13 -0.53 -0.07 -0.21 0.00 0.00 178.00 177.28 3d9i h LEU 131 N 0.00 0.89 -0.46 2.35 3.38 -1.36 -0.74 115.31 119.37 3d9i h LEU 131 Ca -0.00 -0.47 -0.11 0.00 0.09 0.00 0.00 57.88 57.39 3d9i h LEU 131 Cb 0.26 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 3d9i h LEU 131 CO 0.02 1.25 -0.14 -0.07 0.09 0.00 0.00 178.44 179.58 3d9i h LEU 132 N 0.63 0.93 -1.31 1.67 3.38 -0.75 -2.82 115.31 117.03 3d9i h LEU 132 Ca 0.02 -0.37 -0.02 0.00 0.09 0.00 0.00 57.88 57.59 3d9i h LEU 132 Cb 1.12 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.59 3d9i h LEU 132 CO 0.11 1.09 0.19 0.44 0.09 0.00 0.00 178.44 180.36 3d9i h ASP 133 N 0.75 0.59 -0.78 -0.43 3.32 -0.53 -2.00 116.42 117.35 3d9i h ASP 133 Ca 0.11 -0.06 -0.05 0.00 0.02 0.00 0.00 57.03 57.05 3d9i h ASP 133 Cb 0.70 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 40.07 3d9i h ASP 133 CO 0.05 0.54 0.28 0.24 -1.72 0.00 0.00 179.24 178.63 3d9i h MET 134 N 0.65 1.19 -0.39 3.56 2.86 -1.02 -1.07 114.93 120.72 3d9i h MET 134 Ca 0.16 -0.23 -0.01 0.00 -2.06 0.00 0.00 59.70 57.56 3d9i h MET 134 Cb 0.13 -0.18 -0.02 0.00 0.06 0.00 0.00 31.60 31.59 3d9i h MET 134 CO -0.02 0.98 0.20 0.00 1.06 0.00 0.00 176.91 179.14 3d9i h ALA 135 N 1.15 0.50 -0.48 6.32 0.00 -1.13 -2.76 119.26 122.86 3d9i h ALA 135 Ca 0.26 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 55.00 3d9i h ALA 135 Cb 0.26 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 3d9i h ALA 135 CO -0.02 0.04 -0.01 0.00 0.00 0.00 0.00 179.25 179.27 3d9i h ALA 136 N 1.06 0.65 -0.80 0.00 0.00 -1.16 -2.92 119.26 116.09 3d9i h ALA 136 Ca 0.14 -0.28 0.06 0.00 0.00 0.00 0.00 54.91 54.82 3d9i h ALA 136 Cb 0.08 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 17.64 3d9i h ALA 136 CO -0.02 0.46 0.52 0.00 0.00 0.00 0.00 179.25 180.22 3d9i h ALA 137 N 0.92 1.63 -0.72 0.00 0.00 -1.16 -1.37 119.26 118.57 3d9i h ALA 137 Ca 0.14 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 3d9i h ALA 137 Cb 0.52 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 3d9i h ALA 137 CO 0.03 0.25 0.26 -0.07 0.00 0.00 0.00 179.25 179.72 3d9i h LEU 138 N 0.87 0.99 -0.88 0.00 3.38 -1.32 -2.69 115.31 115.65 3d9i h LEU 138 Ca 0.34 -0.16 -0.10 0.00 0.09 0.00 0.00 57.88 58.06 3d9i h LEU 138 Cb 0.23 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 3d9i h LEU 138 CO -0.12 0.90 -0.24 -0.33 0.09 0.00 0.00 178.44 178.74 3d9i h GLU 139 N 1.04 0.56 -0.00 1.13 4.39 -1.12 -3.52 114.58 117.06 3d9i h GLU 139 Ca 0.24 -0.21 0.00 0.00 0.34 0.00 0.00 59.36 59.73 3d9i h GLU 139 Cb 0.23 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.85 3d9i h GLU 139 CO -0.02 0.76 0.00 0.72 -1.16 0.00 0.00 179.01 179.31