#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dfp s HIS 2 N 0.00 2.53 0.00 0.54 3.76 -1.26 -5.13 115.29 115.73 3dfp s HIS 2 Ca 0.00 -0.27 -0.12 0.00 -0.15 0.00 0.00 55.06 54.52 3dfp s HIS 2 Cb 0.00 -1.40 -0.05 0.00 1.11 0.00 0.00 32.58 32.24 3dfp s HIS 2 CO 0.00 0.32 0.35 0.45 -0.85 0.00 0.00 174.74 175.01 3dfp s SER 3 N -1.79 6.68 -0.40 1.40 0.15 -1.26 -5.03 113.70 113.44 3dfp s SER 3 Ca 0.16 0.82 0.06 0.00 0.70 0.00 0.00 55.95 57.69 3dfp s SER 3 Cb -0.10 -2.19 0.21 0.00 -1.71 0.00 0.00 66.02 62.23 3dfp s SER 3 CO 0.08 0.30 0.44 1.41 1.20 0.00 0.00 173.24 176.66 3dfp n HIS 4 N 1.57 -0.59 -0.26 3.44 8.25 -1.26 -5.10 115.22 121.27 3dfp n HIS 4 Ca -0.13 -3.45 -0.13 0.00 -0.26 0.00 0.00 57.72 53.75 3dfp n HIS 4 Cb 0.53 -0.08 -0.03 0.00 1.12 0.00 0.00 29.99 31.53 3dfp n HIS 4 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68 3dfp n PRO 5 N 2.04 0.00 0.13 -0.41 -0.02 -1.26 -4.84 135.00 130.64 3dfp n PRO 5 Ca 0.25 0.00 -0.01 0.00 -2.02 0.00 0.00 63.50 61.72 3dfp n PRO 5 Cb 0.51 -0.31 0.11 0.00 -0.02 0.00 0.00 33.50 33.78 3dfp n PRO 5 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3dfp h ALA 6 N 1.89 0.77 -3.37 3.55 0.00 -1.99 -3.45 119.26 116.66 3dfp h ALA 6 Ca -0.02 -0.60 -0.42 0.00 0.00 0.00 0.00 54.91 53.87 3dfp h ALA 6 Cb 0.30 -0.11 -0.21 0.00 0.00 0.00 0.00 17.79 17.77 3dfp h ALA 6 CO 0.23 0.83 -0.78 -0.51 0.00 0.00 0.00 179.25 179.02 3dfp s LEU 7 N -7.11 2.29 0.47 0.00 1.43 -1.26 -4.99 118.68 109.52 3dfp s LEU 7 Ca 0.00 -0.64 0.01 0.00 -1.03 0.00 0.00 54.13 52.47 3dfp s LEU 7 Cb 0.11 -0.53 0.01 0.00 0.03 0.00 0.00 46.19 45.80 3dfp s LEU 7 CO 0.76 -0.08 0.69 0.42 0.23 0.00 0.00 176.35 178.37 3dfp s THR 8 N -1.37 3.62 0.29 5.49 -4.23 -1.26 -4.91 115.64 113.27 3dfp s THR 8 Ca -0.00 -0.58 0.01 0.00 -1.18 0.00 0.00 61.69 59.93 3dfp s THR 8 Cb -0.09 -3.34 0.28 0.00 1.34 0.00 0.00 72.50 70.69 3dfp s THR 8 CO 0.02 -0.23 1.88 -0.65 -0.54 0.00 0.00 174.62 175.11 3dfp h PRO 9 N 0.34 1.00 -0.65 3.99 0.11 -2.01 -0.76 132.00 134.02 3dfp h PRO 9 Ca -0.45 -0.06 -0.08 0.00 0.11 0.00 0.00 66.00 65.52 3dfp h PRO 9 Cb 1.27 -0.23 -0.03 0.00 0.11 0.00 0.00 31.00 32.12 3dfp h PRO 9 CO 0.55 0.66 0.08 0.93 -0.21 0.00 0.00 178.00 180.02 3dfp h GLU 10 N 1.03 1.09 -0.25 1.05 3.07 -1.99 -0.63 114.58 117.95 3dfp h GLU 10 Ca 0.44 -0.30 -0.12 0.00 -0.50 0.00 0.00 59.36 58.88 3dfp h GLU 10 Cb 0.31 -0.12 -0.01 0.00 -0.84 0.00 0.00 28.75 28.09 3dfp h GLU 10 CO -0.19 1.01 -0.33 1.96 -1.40 0.00 0.00 179.01 180.06 3dfp h GLN 11 N 1.02 0.53 -0.27 2.33 4.20 -1.74 -2.41 115.11 118.76 3dfp h GLN 11 Ca 0.20 -0.24 -0.09 0.00 0.06 0.00 0.00 58.65 58.58 3dfp h GLN 11 Cb 0.46 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.23 3dfp h GLN 11 CO 0.02 0.80 -0.19 0.87 -0.67 0.00 0.00 178.83 179.66 3dfp h LYS 12 N 0.45 0.61 -0.94 1.46 1.57 -0.82 -2.59 116.57 116.31 3dfp h LYS 12 Ca 0.05 -0.29 -0.01 0.00 -1.87 0.00 0.00 60.65 58.54 3dfp h LYS 12 Cb 0.80 -0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.06 3dfp h LYS 12 CO 0.07 0.88 0.56 -0.22 -0.57 0.00 0.00 179.45 180.16 3dfp h LYS 13 N 0.33 1.28 -0.08 3.15 3.64 -1.04 -0.19 116.57 123.67 3dfp h LYS 13 Ca 0.05 -0.12 -0.00 0.00 -1.27 0.00 0.00 60.65 59.31 3dfp h LYS 13 Cb 0.73 -0.27 -0.00 0.00 -0.41 0.00 0.00 32.23 32.28 3dfp h LYS 13 CO 0.05 0.90 0.03 1.49 -2.27 0.00 0.00 179.45 179.65 3dfp h GLU 14 N 1.30 0.12 -0.46 1.90 4.81 -1.38 -0.52 114.58 120.35 3dfp h GLU 14 Ca 0.34 -0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 59.49 3dfp h GLU 14 Cb -0.05 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.29 3dfp h GLU 14 CO -0.06 0.23 0.05 -0.07 -0.73 0.00 0.00 179.01 178.43 3dfp h LEU 15 N -0.02 0.68 -0.22 1.64 3.38 -1.24 -2.42 115.31 117.12 3dfp h LEU 15 Ca 0.03 -0.14 -0.12 0.00 0.09 0.00 0.00 57.88 57.74 3dfp h LEU 15 Cb 0.15 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 3dfp h LEU 15 CO -0.00 0.72 -0.33 -1.28 0.09 0.00 0.00 178.44 177.64 3dfp h SER 16 N 0.69 0.66 -0.71 -0.43 0.87 -0.83 -2.44 113.55 111.36 3dfp h SER 16 Ca 0.15 -0.52 -0.03 0.00 -1.23 0.00 0.00 61.79 60.16 3dfp h SER 16 Cb 0.35 -0.19 -0.03 0.00 -0.44 0.00 0.00 62.40 62.09 3dfp h SER 16 CO 0.01 1.05 0.34 0.44 -0.53 0.00 0.00 176.83 178.14 3dfp h ASP 17 N 0.29 0.93 -0.37 6.23 3.32 -1.00 -1.83 116.42 123.99 3dfp h ASP 17 Ca 0.02 -0.13 -0.01 0.00 0.02 0.00 0.00 57.03 56.93 3dfp h ASP 17 Cb 0.91 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 40.20 3dfp h ASP 17 CO 0.08 0.80 0.21 0.40 -1.72 0.00 0.00 179.24 179.01 3dfp h ILE 18 N 0.99 1.14 -0.69 0.35 2.04 -1.44 -1.91 117.51 117.99 3dfp h ILE 18 Ca 0.24 -0.36 -0.01 0.00 1.00 0.00 0.00 64.86 65.74 3dfp h ILE 18 Cb 0.12 0.71 -0.03 0.00 -0.74 0.00 0.00 36.82 36.87 3dfp h ILE 18 CO -0.03 0.15 0.41 0.00 0.00 0.00 0.00 178.15 178.68 3dfp h ALA 19 N 1.07 0.88 -0.39 1.87 0.00 -1.20 -2.64 119.26 118.85 3dfp h ALA 19 Ca 0.13 -0.09 -0.12 0.00 0.00 0.00 0.00 54.91 54.83 3dfp h ALA 19 Cb 0.05 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 3dfp h ALA 19 CO -0.02 0.36 -0.26 0.45 0.00 0.00 0.00 179.25 179.78 3dfp h HIS 20 N 0.94 0.92 -0.50 0.00 3.86 -1.18 -3.09 115.15 116.10 3dfp h HIS 20 Ca 0.25 -0.22 -0.05 0.00 -1.16 0.00 0.00 60.37 59.18 3dfp h HIS 20 Cb -0.02 -0.21 -0.02 0.00 1.06 0.00 0.00 27.41 28.21 3dfp h HIS 20 CO -0.01 0.97 0.09 0.00 0.86 0.00 0.00 177.93 179.84 3dfp h ARG 21 N 0.69 0.79 -0.56 2.45 3.08 -1.17 -1.70 114.38 117.96 3dfp h ARG 21 Ca 0.09 -0.17 -0.02 0.00 0.07 0.00 0.00 59.98 59.94 3dfp h ARG 21 Cb 0.79 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.70 3dfp h ARG 21 CO 0.07 0.73 0.26 0.82 -1.07 0.00 0.00 179.97 180.78 3dfp h ILE 22 N 0.75 1.21 -0.59 2.04 2.04 -1.40 -3.15 117.51 118.42 3dfp h ILE 22 Ca 0.16 -0.62 -0.27 0.00 1.00 0.00 0.00 64.86 65.13 3dfp h ILE 22 Cb 0.33 0.57 -0.16 0.00 -0.74 0.00 0.00 36.82 36.82 3dfp h ILE 22 CO 0.00 0.24 0.19 1.33 0.00 0.00 0.00 178.15 179.92 3dfp n VAL 23 N -4.53 2.77 -1.25 1.67 0.24 -1.14 -4.17 118.33 111.92 3dfp n VAL 23 Ca 0.03 -2.29 -0.35 0.00 -2.04 0.00 0.00 64.34 59.69 3dfp n VAL 23 Cb 0.13 -0.36 0.09 0.00 -1.47 0.00 0.00 33.84 32.24 3dfp n VAL 23 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3dfp n ALA 24 N -0.96 -0.55 -1.62 2.33 0.00 -0.65 -4.75 120.51 114.31 3dfp n ALA 24 Ca 0.41 -0.25 -0.58 0.00 0.00 0.00 0.00 53.44 53.02 3dfp n ALA 24 Cb 1.26 -2.08 -0.08 0.00 0.00 0.00 0.00 19.45 18.56 3dfp n ALA 24 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3dfp n PRO 25 N -1.95 0.63 -0.25 0.00 -0.02 -1.26 -0.93 135.00 131.22 3dfp n PRO 25 Ca 0.12 0.23 0.00 0.00 -2.02 0.00 0.00 63.50 61.83 3dfp n PRO 25 Cb 0.50 -1.82 0.00 0.00 -0.02 0.00 0.00 33.50 32.16 3dfp n PRO 25 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3dfp n GLY 26 N 2.87 1.81 3.80 -1.23 0.00 -1.26 -5.04 105.19 106.14 3dfp n GLY 26 Ca 0.23 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.97 3dfp n GLY 26 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dfp s LYS 27 N -0.24 2.92 0.00 1.61 1.02 -0.10 -4.43 119.74 120.52 3dfp s LYS 27 Ca 0.00 -0.79 0.00 0.00 0.02 0.00 0.00 55.97 55.20 3dfp s LYS 27 Cb 0.00 -2.69 0.00 0.00 -0.52 0.00 0.00 37.83 34.62 3dfp s LYS 27 CO 0.00 0.52 0.00 0.41 -0.92 0.00 0.00 175.35 175.36 3dfp n GLY 28 N -0.06 4.44 3.21 -3.33 0.00 -0.00 -4.63 105.19 104.82 3dfp n GLY 28 Ca -0.08 -1.53 -0.29 0.00 0.00 0.00 0.00 46.02 44.12 3dfp n GLY 28 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dfp s ILE 29 N -1.62 1.74 -0.35 -0.61 1.01 0.47 0.23 121.20 122.07 3dfp s ILE 29 Ca 0.00 -0.91 -0.14 0.00 0.00 0.00 0.00 60.65 59.60 3dfp s ILE 29 Cb 0.00 -1.48 -0.01 0.00 0.01 0.00 0.00 42.46 40.98 3dfp s ILE 29 CO 0.00 0.49 0.32 -0.22 0.00 0.00 0.00 174.94 175.54 3dfp s LEU 30 N -0.18 4.49 -0.67 2.97 2.96 -0.49 -2.42 118.68 125.34 3dfp s LEU 30 Ca -0.01 -0.32 -0.20 0.00 -0.22 0.00 0.00 54.13 53.39 3dfp s LEU 30 Cb -0.12 -2.27 0.10 0.00 0.50 0.00 0.00 46.19 44.41 3dfp s LEU 30 CO 0.02 -0.31 0.84 0.00 -1.32 0.00 0.00 176.35 175.57 3dfp s ALA 31 N 1.92 3.36 -0.28 5.97 0.00 -0.11 -1.57 121.76 131.03 3dfp s ALA 31 Ca 0.10 -2.25 0.08 0.00 0.00 0.00 0.00 51.96 49.88 3dfp s ALA 31 Cb -0.17 -3.69 0.45 0.00 0.00 0.00 0.00 23.12 19.71 3dfp s ALA 31 CO 0.11 -2.55 1.22 0.00 0.00 0.00 0.00 175.76 174.53 3dfp n ALA 32 N 6.63 4.81 -0.83 0.00 0.00 -0.84 -4.28 120.51 126.01 3dfp n ALA 32 Ca -0.02 -3.69 -0.15 0.00 0.00 0.00 0.00 53.44 49.58 3dfp n ALA 32 Cb 0.44 -0.36 0.20 0.00 0.00 0.00 0.00 19.45 19.73 3dfp n ALA 32 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 3dfp n ASN 33 N -0.79 3.95 -4.77 0.00 6.94 -1.12 -4.26 115.26 115.20 3dfp n ASN 33 Ca 0.40 -3.24 -0.41 0.00 -0.02 0.00 0.00 54.58 51.32 3dfp n ASN 33 Cb 0.92 -0.76 -0.00 0.00 -2.36 0.00 0.00 39.78 37.58 3dfp n ASN 33 CO 0.00 0.00 0.00 -1.61 -1.03 0.00 0.00 177.26 174.62 3dfp s GLU 34 N -2.73 4.05 0.86 -3.83 8.01 -1.26 -4.45 118.70 119.34 3dfp s GLU 34 Ca 0.48 2.45 -0.11 0.00 0.01 0.00 0.00 54.97 57.79 3dfp s GLU 34 Cb 0.39 -2.90 0.15 0.00 -4.31 0.00 0.00 34.13 27.46 3dfp s GLU 34 CO 0.10 -0.54 1.20 -1.54 0.01 0.00 0.00 175.26 174.50 3dfp s SER 35 N -0.33 3.79 0.16 -0.19 1.04 -1.26 -4.70 113.70 112.22 3dfp s SER 35 Ca 0.54 0.26 -0.15 0.00 0.48 0.00 0.00 55.95 57.09 3dfp s SER 35 Cb -0.44 -0.52 0.07 0.00 0.10 0.00 0.00 66.02 65.23 3dfp s SER 35 CO 0.59 -2.29 1.78 0.74 0.98 0.00 0.00 173.24 175.04 3dfp h THR 36 N -1.21 0.98 -0.49 2.02 2.02 -1.97 0.58 112.91 114.84 3dfp h THR 36 Ca -0.43 -0.15 -0.10 0.00 0.77 0.00 0.00 66.41 66.50 3dfp h THR 36 Cb 1.27 0.50 -0.02 0.00 -1.74 0.00 0.00 68.15 68.16 3dfp h THR 36 CO 0.46 0.08 -0.08 1.23 0.37 0.00 0.00 175.52 177.57 3dfp h GLY 37 N 0.44 0.96 0.83 2.16 0.00 -2.00 -1.22 103.07 104.24 3dfp h GLY 37 Ca 0.18 -0.73 -0.11 0.00 0.00 0.00 0.00 47.33 46.67 3dfp h GLY 37 CO -0.12 0.67 -0.37 0.23 0.00 0.00 0.00 176.54 176.95 3dfp h SER 38 N 0.80 0.55 0.44 0.19 0.87 -1.80 -3.11 113.55 111.50 3dfp h SER 38 Ca 0.14 -0.59 -0.03 0.00 -1.23 0.00 0.00 61.79 60.07 3dfp h SER 38 Cb 0.60 -0.16 -0.00 0.00 -0.44 0.00 0.00 62.40 62.39 3dfp h SER 38 CO 0.04 1.04 -0.15 -0.29 -0.53 0.00 0.00 176.83 176.94 3dfp h ILE 39 N 0.09 0.63 -0.44 2.23 6.09 0.18 -2.93 117.51 123.35 3dfp h ILE 39 Ca -0.01 -0.67 0.05 0.00 -1.37 0.00 0.00 64.86 62.87 3dfp h ILE 39 Cb 0.98 1.43 -0.05 0.00 0.47 0.00 0.00 36.82 39.65 3dfp h ILE 39 CO 0.08 0.15 0.16 0.00 -3.07 0.00 0.00 178.15 175.47 3dfp h ALA 40 N 1.85 0.53 -0.67 0.18 0.00 -1.14 -1.08 119.26 118.93 3dfp h ALA 40 Ca -0.00 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 3dfp h ALA 40 Cb 0.41 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 3dfp h ALA 40 CO 0.02 -0.23 0.39 0.87 0.00 0.00 0.00 179.25 180.30 3dfp h LYS 41 N 0.33 0.92 -0.14 0.00 1.57 -1.61 -0.84 116.57 116.80 3dfp h LYS 41 Ca 0.21 -0.09 -0.00 0.00 -1.87 0.00 0.00 60.65 58.89 3dfp h LYS 41 Cb 0.19 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 3dfp h LYS 41 CO -0.21 0.67 0.08 0.00 -0.57 0.00 0.00 179.45 179.43 3dfp h ARG 42 N 0.91 0.19 -0.57 3.15 -0.00 -1.45 -2.26 114.38 114.34 3dfp h ARG 42 Ca 0.24 -0.02 -0.10 0.00 -0.50 0.00 0.00 59.98 59.61 3dfp h ARG 42 Cb 0.00 -0.04 -0.02 0.00 0.00 0.00 0.00 29.97 29.91 3dfp h ARG 42 CO -0.04 0.16 -0.02 -0.07 0.00 0.00 0.00 179.97 180.01 3dfp h LEU 43 N 0.16 0.99 -1.99 3.04 3.38 -1.08 -2.67 115.31 117.13 3dfp h LEU 43 Ca 0.05 -0.28 -0.02 0.00 0.09 0.00 0.00 57.88 57.72 3dfp h LEU 43 Cb 0.02 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.51 3dfp h LEU 43 CO -0.01 1.05 -0.10 -0.61 0.09 0.00 0.00 178.44 178.86 3dfp h GLN 44 N 0.92 0.00 0.00 1.13 4.15 -0.99 -1.33 115.11 119.00 3dfp h GLN 44 Ca 0.16 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.58 3dfp h GLN 44 Cb 0.56 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.25 3dfp h GLN 44 CO 0.03 0.10 0.00 -1.13 -1.93 0.00 0.00 178.83 175.90 3dfp n SER 45 N -3.83 0.00 -0.15 -0.69 3.41 -0.87 -2.79 113.62 108.71 3dfp n SER 45 Ca -0.02 0.46 0.05 0.00 -0.26 0.00 0.00 58.87 59.10 3dfp n SER 45 Cb 0.20 -0.48 0.07 0.00 -0.26 0.00 0.00 64.21 63.73 3dfp n SER 45 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 3dfp n ILE 46 N -1.48 1.09 -3.43 -1.33 -5.35 -0.55 -5.03 119.36 103.28 3dfp n ILE 46 Ca 0.05 -1.27 -0.21 0.00 -0.27 0.00 0.00 62.75 61.05 3dfp n ILE 46 Cb 0.23 0.20 0.05 0.00 -1.74 0.00 0.00 39.64 38.38 3dfp n ILE 46 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3dfp n GLY 47 N -0.78 -1.11 2.90 3.28 0.00 -1.00 -4.69 105.19 103.79 3dfp n GLY 47 Ca 0.08 0.53 -0.19 0.00 0.00 0.00 0.00 46.02 46.43 3dfp n GLY 47 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3dfp s THR 48 N -3.39 0.49 0.30 2.61 2.01 -0.89 -4.95 115.64 111.83 3dfp s THR 48 Ca 0.43 -0.12 -0.30 0.00 0.31 0.00 0.00 61.69 62.02 3dfp s THR 48 Cb -0.10 -0.51 -0.11 0.00 0.01 0.00 0.00 72.50 71.79 3dfp s THR 48 CO 0.79 0.21 1.52 -0.70 -0.69 0.00 0.00 174.62 175.75 3dfp s GLU 49 N 0.79 4.16 -1.33 4.92 2.12 -1.26 -4.24 118.70 123.86 3dfp s GLU 49 Ca -0.10 2.50 -0.14 0.00 0.36 0.00 0.00 54.97 57.59 3dfp s GLU 49 Cb -0.13 -3.03 0.10 0.00 0.26 0.00 0.00 34.13 31.33 3dfp s GLU 49 CO 0.00 -0.54 1.89 -1.71 -0.54 0.00 0.00 175.26 174.36 3dfp n ASN 50 N 1.78 4.66 -4.68 -1.70 5.15 -1.26 -4.79 115.26 114.42 3dfp n ASN 50 Ca 0.06 -2.95 -0.25 0.00 -0.60 0.00 0.00 54.58 50.83 3dfp n ASN 50 Cb 0.39 -1.62 -0.07 0.00 -0.53 0.00 0.00 39.78 37.94 3dfp n ASN 50 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 3dfp s THR 51 N 2.44 3.77 0.23 -0.44 -4.23 -1.26 -5.03 115.64 111.12 3dfp s THR 51 Ca 0.46 -1.51 -0.06 0.00 -1.18 0.00 0.00 61.69 59.40 3dfp s THR 51 Cb 0.08 -2.94 0.19 0.00 1.34 0.00 0.00 72.50 71.17 3dfp s THR 51 CO -0.01 -0.19 1.80 -0.08 -0.54 0.00 0.00 174.62 175.60 3dfp h GLU 52 N 2.40 0.68 -0.45 3.99 4.81 -1.99 -1.07 114.58 122.95 3dfp h GLU 52 Ca -0.47 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 58.71 3dfp h GLU 52 Cb 1.22 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 30.42 3dfp h GLU 52 CO 0.59 0.45 0.21 1.49 -0.73 0.00 0.00 179.01 181.02 3dfp h GLU 53 N 0.70 0.62 -0.25 1.92 4.57 -1.97 0.19 114.58 120.36 3dfp h GLU 53 Ca 0.36 -0.07 -0.16 0.00 -1.18 0.00 0.00 59.36 58.31 3dfp h GLU 53 Cb 0.33 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 28.79 3dfp h GLU 53 CO -0.24 0.49 -0.49 -0.91 -1.18 0.00 0.00 179.01 176.68 3dfp h ASN 54 N 0.62 0.74 -0.35 1.04 2.35 -1.55 -1.12 115.58 117.32 3dfp h ASN 54 Ca 0.16 -0.37 -0.09 0.00 -0.55 0.00 0.00 56.30 55.45 3dfp h ASN 54 Cb 0.08 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.23 3dfp h ASN 54 CO -0.02 1.10 -0.12 0.03 -1.65 0.00 0.00 177.43 176.77 3dfp h ARG 55 N 0.54 0.70 -0.50 0.81 3.08 -0.42 -1.97 114.38 116.62 3dfp h ARG 55 Ca 0.03 -0.28 0.01 0.00 0.07 0.00 0.00 59.98 59.80 3dfp h ARG 55 Cb 1.04 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 31.04 3dfp h ARG 55 CO 0.10 0.88 0.33 -0.09 -1.07 0.00 0.00 179.97 180.12 3dfp h ARG 56 N 0.48 0.66 -0.63 0.04 2.43 -0.57 -0.43 114.38 116.36 3dfp h ARG 56 Ca 0.08 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.20 3dfp h ARG 56 Cb 0.64 -0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 30.01 3dfp h ARG 56 CO 0.04 0.44 0.35 0.35 -1.51 0.00 0.00 179.97 179.65 3dfp h PHE 57 N 0.68 0.86 -0.09 2.20 3.57 -1.08 -0.63 116.94 122.46 3dfp h PHE 57 Ca 0.18 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.66 3dfp h PHE 57 Cb -0.08 -0.28 -0.00 0.00 2.79 0.00 0.00 35.95 38.38 3dfp h PHE 57 CO -0.04 0.61 0.02 -0.92 -2.23 0.00 0.00 178.31 175.75 3dfp h TYR 58 N 0.86 0.15 -0.56 0.41 3.20 -1.00 -1.09 116.97 118.95 3dfp h TYR 58 Ca 0.22 -0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.07 3dfp h TYR 58 Cb 0.03 -0.04 -0.03 0.00 1.54 0.00 0.00 36.73 38.23 3dfp h TYR 58 CO -0.01 0.33 0.31 0.00 -1.64 0.00 0.00 178.16 177.15 3dfp h ARG 59 N -0.07 0.76 -0.65 1.82 -0.00 -0.94 -1.90 114.38 113.40 3dfp h ARG 59 Ca 0.03 -0.07 -0.09 0.00 -0.50 0.00 0.00 59.98 59.35 3dfp h ARG 59 Cb 0.26 -0.16 -0.02 0.00 0.00 0.00 0.00 29.97 30.05 3dfp h ARG 59 CO 0.00 0.55 0.06 0.37 0.00 0.00 0.00 179.97 180.96 3dfp h GLN 60 N 0.77 1.11 -0.98 0.04 4.15 -0.88 -1.51 115.11 117.80 3dfp h GLN 60 Ca 0.20 -0.32 0.13 0.00 0.77 0.00 0.00 58.65 59.43 3dfp h GLN 60 Cb 0.01 -0.12 -0.08 0.00 0.21 0.00 0.00 27.48 27.50 3dfp h GLN 60 CO -0.03 1.04 0.62 1.25 -1.93 0.00 0.00 178.83 179.77 3dfp h LEU 61 N 1.02 0.86 0.14 -2.39 6.46 -0.37 -0.18 115.31 120.86 3dfp h LEU 61 Ca 0.19 0.05 -0.21 0.00 -0.12 0.00 0.00 57.88 57.79 3dfp h LEU 61 Cb 0.49 -0.12 0.02 0.00 -0.73 0.00 0.00 40.66 40.32 3dfp h LEU 61 CO 0.02 0.45 -0.95 -0.07 -0.62 0.00 0.00 178.44 177.27 3dfp h LEU 62 N 0.92 0.46 -1.44 2.25 3.38 -1.32 -3.33 115.31 116.23 3dfp h LEU 62 Ca 0.49 -0.93 -0.05 0.00 0.09 0.00 0.00 57.88 57.47 3dfp h LEU 62 Cb 0.55 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 3dfp h LEU 62 CO -0.26 1.45 -0.26 -0.07 0.09 0.00 0.00 178.44 179.39 3dfp h LEU 63 N -0.35 0.00 -3.52 1.67 3.38 -0.97 -3.11 115.31 112.41 3dfp h LEU 63 Ca -0.18 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.77 3dfp h LEU 63 Cb 1.68 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.42 3dfp h LEU 63 CO 0.14 0.26 0.02 0.35 0.09 0.00 0.00 178.44 179.30 3dfp n THR 64 N -3.77 2.70 -1.00 0.22 -2.24 -0.10 -4.82 114.28 105.27 3dfp n THR 64 Ca -0.01 -1.55 -0.32 0.00 -2.27 0.00 0.00 64.05 59.90 3dfp n THR 64 Cb 0.36 -0.28 0.14 0.00 -2.10 0.00 0.00 70.33 68.44 3dfp n THR 64 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3dfp s ALA 65 N -2.82 1.76 1.10 6.98 0.00 -1.18 -4.95 121.76 122.65 3dfp s ALA 65 Ca 0.52 0.69 -0.13 0.00 0.00 0.00 0.00 51.96 53.04 3dfp s ALA 65 Cb 0.41 -3.45 0.22 0.00 0.00 0.00 0.00 23.12 20.30 3dfp s ALA 65 CO 0.14 -2.38 0.90 -0.40 0.00 0.00 0.00 175.76 174.01 3dfp n ASP 66 N -3.63 -1.35 0.00 0.00 5.68 -1.26 -4.84 116.55 111.14 3dfp n ASP 66 Ca 0.12 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.42 3dfp n ASP 66 Cb 0.51 -1.27 0.00 0.00 -1.14 0.00 0.00 41.12 39.22 3dfp n ASP 66 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 3dfp n ASP 67 N -4.23 0.00 0.24 -1.12 8.00 -1.26 -2.52 116.55 115.65 3dfp n ASP 67 Ca 0.05 0.25 0.09 0.00 0.71 0.00 0.00 54.79 55.89 3dfp n ASP 67 Cb 0.54 -0.25 0.60 0.00 -0.02 0.00 0.00 41.12 42.00 3dfp n ASP 67 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 3dfp h ARG 68 N 0.00 0.00 0.00 -1.24 3.08 -2.01 -2.54 114.38 111.67 3dfp h ARG 68 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3dfp h ARG 68 Cb 0.04 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.09 3dfp h ARG 68 CO 0.00 0.18 -0.15 -0.39 -1.07 0.00 0.00 179.97 178.54 3dfp h VAL 69 N 0.00 0.00 -0.66 2.04 -1.51 -1.83 -3.38 116.25 110.91 3dfp h VAL 69 Ca -0.00 -0.74 0.12 0.00 -1.23 0.00 0.00 66.70 64.85 3dfp h VAL 69 Cb 0.41 1.65 -0.12 0.00 -2.13 0.00 0.00 31.29 31.10 3dfp h VAL 69 CO 0.02 0.00 -0.27 0.78 -1.23 0.00 0.00 177.57 176.87 3dfp h ASN 70 N 0.00 -0.97 0.10 4.19 4.21 -1.67 0.26 115.58 121.71 3dfp h ASN 70 Ca 0.00 0.23 0.00 0.00 1.21 0.00 0.00 56.30 57.74 3dfp h ASN 70 Cb 0.87 0.53 0.00 0.00 -1.12 0.00 0.00 38.32 38.60 3dfp h ASN 70 CO 0.00 -0.28 0.00 -0.81 -1.29 0.00 0.00 177.43 175.05 3dfp n PRO 71 N -5.45 0.83 -0.10 0.81 -0.04 -1.26 -3.53 135.00 126.26 3dfp n PRO 71 Ca 0.07 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.40 3dfp n PRO 71 Cb 0.36 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.18 3dfp n PRO 71 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3dfp s ILE 73 N -2.51 4.65 -0.15 0.00 -1.09 -0.37 -0.82 121.20 120.91 3dfp s ILE 73 Ca -0.18 -0.59 0.21 0.00 -2.23 0.00 0.00 60.65 57.86 3dfp s ILE 73 Cb 0.07 -3.47 -0.15 0.00 -1.58 0.00 0.00 42.46 37.33 3dfp s ILE 73 CO 0.76 -0.07 0.76 0.61 -1.23 0.00 0.00 174.94 175.77 3dfp n GLY 74 N 5.00 -1.24 3.45 6.18 0.00 0.13 -4.32 105.19 114.40 3dfp n GLY 74 Ca -0.13 -0.32 -0.16 0.00 0.00 0.00 0.00 46.02 45.41 3dfp n GLY 74 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3dfp s GLY 75 N -4.55 -0.50 -0.10 -0.02 0.00 -1.06 -1.35 107.32 99.74 3dfp s GLY 75 Ca -0.04 0.97 -0.01 0.00 0.00 0.00 0.00 44.72 45.64 3dfp s GLY 75 CO 0.84 0.64 -0.03 0.14 0.00 0.00 0.00 173.10 174.68 3dfp s VAL 76 N -1.75 0.69 -0.11 1.40 1.01 -0.27 -1.39 120.40 119.98 3dfp s VAL 76 Ca -0.09 -0.10 -0.21 0.00 0.00 0.00 0.00 61.98 61.59 3dfp s VAL 76 Cb -0.01 -0.79 -0.04 0.00 0.00 0.00 0.00 36.38 35.54 3dfp s VAL 76 CO 0.04 0.29 0.59 -0.63 0.00 0.00 0.00 175.10 175.39 3dfp s ILE 77 N 1.84 5.11 0.30 2.22 1.01 -0.61 -0.07 121.20 131.01 3dfp s ILE 77 Ca 0.05 1.19 0.11 0.00 0.00 0.00 0.00 60.65 62.00 3dfp s ILE 77 Cb -0.13 -3.93 -0.05 0.00 0.01 0.00 0.00 42.46 38.36 3dfp s ILE 77 CO -0.07 0.27 -0.14 -0.76 0.00 0.00 0.00 174.94 174.24 3dfp s LEU 78 N 0.86 2.70 0.39 2.97 1.43 0.57 -1.98 118.68 125.62 3dfp s LEU 78 Ca 0.31 -1.05 -0.04 0.00 -1.03 0.00 0.00 54.13 52.33 3dfp s LEU 78 Cb -0.16 -1.13 -0.04 0.00 0.03 0.00 0.00 46.19 44.88 3dfp s LEU 78 CO 0.14 -0.05 0.66 0.12 0.23 0.00 0.00 176.35 177.45 3dfp s PHE 79 N -2.53 3.52 0.18 0.29 5.36 -1.26 -2.20 117.98 121.34 3dfp s PHE 79 Ca 0.31 0.64 -0.23 0.00 -0.96 0.00 0.00 56.93 56.69 3dfp s PHE 79 Cb -0.03 -2.14 0.08 0.00 -0.34 0.00 0.00 43.02 40.60 3dfp s PHE 79 CO 0.16 -0.04 1.58 1.25 -1.46 0.00 0.00 175.22 176.71 3dfp h HIS 80 N 0.76 -1.06 -0.56 10.12 6.17 -1.92 -2.22 115.15 126.43 3dfp h HIS 80 Ca -0.48 0.07 0.11 0.00 0.71 0.00 0.00 60.37 60.78 3dfp h HIS 80 Cb 1.21 0.54 -0.09 0.00 2.52 0.00 0.00 27.41 31.59 3dfp h HIS 80 CO 0.56 -0.40 0.05 1.49 0.71 0.00 0.00 177.93 180.34 3dfp h GLU 81 N -0.21 0.16 -0.16 5.26 4.81 -1.98 -2.19 114.58 120.28 3dfp h GLU 81 Ca 0.20 -0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.37 3dfp h GLU 81 Cb 0.56 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.89 3dfp h GLU 81 CO -0.66 0.11 -0.13 1.15 -0.73 0.00 0.00 179.01 178.75 3dfp h THR 82 N 0.17 1.18 0.00 0.32 2.02 -1.80 -2.51 112.91 112.29 3dfp h THR 82 Ca 0.29 -0.79 -0.00 0.00 0.77 0.00 0.00 66.41 66.67 3dfp h THR 82 Cb 0.44 1.20 -0.00 0.00 -1.74 0.00 0.00 68.15 68.05 3dfp h THR 82 CO -0.43 0.25 -0.02 0.25 0.37 0.00 0.00 175.52 175.94 3dfp h LEU 83 N 0.24 0.00 -3.10 2.58 5.85 -1.04 -2.31 115.31 117.53 3dfp h LEU 83 Ca 0.05 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.77 3dfp h LEU 83 Cb 0.38 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.41 3dfp h LEU 83 CO 0.02 0.02 0.00 -1.22 -0.34 0.00 0.00 178.44 176.92 3dfp n TYR 84 N -3.66 0.84 -3.36 1.25 4.01 -0.95 -4.64 117.16 110.63 3dfp n TYR 84 Ca -0.03 -0.69 -0.20 0.00 -0.16 0.00 0.00 57.90 56.82 3dfp n TYR 84 Cb 0.11 -0.20 -0.00 0.00 -0.31 0.00 0.00 39.34 38.94 3dfp n TYR 84 CO 0.00 0.00 0.00 -0.65 -0.46 0.00 0.00 176.86 175.75 3dfp s GLN 85 N -1.98 3.11 0.16 -0.72 -0.21 -0.87 -5.00 119.66 114.15 3dfp s GLN 85 Ca 0.36 -0.89 0.07 0.00 0.02 0.00 0.00 55.36 54.92 3dfp s GLN 85 Cb 0.25 -2.76 -0.04 0.00 1.00 0.00 0.00 33.01 31.46 3dfp s GLN 85 CO 0.14 -0.01 -0.14 0.15 -2.12 0.00 0.00 175.29 173.30 3dfp s LYS 86 N -4.26 1.19 0.85 2.91 1.02 -1.26 -1.77 119.74 118.42 3dfp s LYS 86 Ca 0.46 -1.43 -0.12 0.00 0.02 0.00 0.00 55.97 54.89 3dfp s LYS 86 Cb -0.10 -1.02 0.10 0.00 -0.52 0.00 0.00 37.83 36.30 3dfp s LYS 86 CO 0.33 0.18 1.15 0.00 -0.92 0.00 0.00 175.35 176.08 3dfp s ALA 87 N -2.61 2.22 0.29 5.17 0.00 0.27 -4.86 121.76 122.24 3dfp s ALA 87 Ca 0.16 -0.54 0.04 0.00 0.00 0.00 0.00 51.96 51.62 3dfp s ALA 87 Cb -0.02 -3.01 0.68 0.00 0.00 0.00 0.00 23.12 20.77 3dfp s ALA 87 CO 0.05 -1.94 1.77 -0.44 0.00 0.00 0.00 175.76 175.19 3dfp h ASP 88 N -1.25 0.68 0.20 0.00 3.32 -1.99 0.30 116.42 117.68 3dfp h ASP 88 Ca -0.48 0.10 0.00 0.00 0.02 0.00 0.00 57.03 56.67 3dfp h ASP 88 Cb 1.32 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.86 3dfp h ASP 88 CO 0.63 0.24 0.00 -0.90 -1.72 0.00 0.00 179.24 177.49 3dfp n ASP 89 N -4.82 0.00 0.00 6.45 5.68 -1.26 -4.85 116.55 117.75 3dfp n ASP 89 Ca 0.22 -0.16 0.00 0.00 -0.50 0.00 0.00 54.79 54.35 3dfp n ASP 89 Cb 0.54 -0.18 0.00 0.00 -1.14 0.00 0.00 41.12 40.34 3dfp n ASP 89 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3dfp n GLY 90 N 0.09 0.67 3.72 6.12 0.00 0.11 -5.06 105.19 110.84 3dfp n GLY 90 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 3dfp n GLY 90 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3dfp s ARG 91 N -0.76 4.55 0.46 1.61 0.52 -1.26 -4.69 118.95 119.39 3dfp s ARG 91 Ca 0.00 1.66 -0.25 0.00 -0.52 0.00 0.00 55.73 56.62 3dfp s ARG 91 Cb 0.00 -3.34 -0.08 0.00 0.52 0.00 0.00 34.95 32.05 3dfp s ARG 91 CO 0.00 -0.03 1.34 -2.30 0.02 0.00 0.00 175.30 174.33 3dfp n PRO 92 N 3.14 1.98 -0.29 3.54 -0.02 -1.26 -0.56 135.00 141.53 3dfp n PRO 92 Ca 0.05 0.71 0.04 0.00 -2.02 0.00 0.00 63.50 62.28 3dfp n PRO 92 Cb 0.47 -2.51 0.24 0.00 -0.02 0.00 0.00 33.50 31.69 3dfp n PRO 92 CO 0.00 0.00 0.00 0.74 1.98 0.00 0.00 175.50 178.22 3dfp h PHE 93 N 2.00 1.03 0.00 6.00 0.04 -1.63 -0.86 116.94 123.52 3dfp h PHE 93 Ca -0.50 0.03 -0.03 0.00 2.80 0.00 0.00 57.97 60.27 3dfp h PHE 93 Cb 1.29 -0.34 -0.00 0.00 2.20 0.00 0.00 35.95 39.09 3dfp h PHE 93 CO 0.48 0.55 -0.15 -1.00 -0.60 0.00 0.00 178.31 177.59 3dfp h PRO 94 N 1.02 0.00 -0.13 1.51 0.13 -1.85 -0.57 132.00 132.11 3dfp h PRO 94 Ca 0.38 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 65.30 3dfp h PRO 94 Cb 0.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.30 3dfp h PRO 94 CO -0.14 0.15 -0.75 0.37 -0.23 0.00 0.00 178.00 177.40 3dfp h GLN 95 N 0.00 0.66 -0.27 0.86 4.15 -1.53 -2.28 115.11 116.70 3dfp h GLN 95 Ca -0.00 -0.53 -0.02 0.00 0.77 0.00 0.00 58.65 58.87 3dfp h GLN 95 Cb 0.36 0.11 -0.01 0.00 0.21 0.00 0.00 27.48 28.15 3dfp h GLN 95 CO 0.02 1.15 0.09 0.28 -1.93 0.00 0.00 178.83 178.43 3dfp h VAL 96 N 0.45 1.20 -0.30 2.39 2.07 -0.80 -1.53 116.25 119.73 3dfp h VAL 96 Ca -0.04 -0.62 0.01 0.00 0.82 0.00 0.00 66.70 66.87 3dfp h VAL 96 Cb 1.36 1.09 -0.02 0.00 -1.52 0.00 0.00 31.29 32.20 3dfp h VAL 96 CO 0.15 0.21 0.17 0.40 0.02 0.00 0.00 177.57 178.52 3dfp h ILE 97 N 0.28 1.03 -0.56 4.57 2.04 -1.09 -2.99 117.51 120.79 3dfp h ILE 97 Ca 0.09 -0.12 -0.10 0.00 1.00 0.00 0.00 64.86 65.73 3dfp h ILE 97 Cb 0.23 0.64 -0.02 0.00 -0.74 0.00 0.00 36.82 36.94 3dfp h ILE 97 CO -0.00 0.07 -0.03 0.11 0.00 0.00 0.00 178.15 178.29 3dfp h LYS 98 N 0.36 1.00 0.00 2.37 1.57 -1.35 -1.91 116.57 118.62 3dfp h LYS 98 Ca 0.12 -0.34 0.00 0.00 -1.87 0.00 0.00 60.65 58.56 3dfp h LYS 98 Cb -0.00 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.23 3dfp h LYS 98 CO -0.06 1.02 0.00 0.66 -0.57 0.00 0.00 179.45 180.50 3dfp h SER 99 N 0.88 0.00 -0.69 0.86 4.64 -1.15 0.26 113.55 118.35 3dfp h SER 99 Ca 0.15 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 3dfp h SER 99 Cb 0.58 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.67 3dfp h SER 99 CO 0.03 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.28 3dfp n LYS 100 N -3.08 2.64 -0.55 4.77 5.02 -1.05 -4.94 118.16 120.98 3dfp n LYS 100 Ca -0.03 -2.49 0.00 0.00 -2.02 0.00 0.00 58.31 53.77 3dfp n LYS 100 Cb 0.10 -1.55 0.00 0.00 -0.02 0.00 0.00 35.03 33.56 3dfp n LYS 100 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3dfp n GLY 101 N 1.58 0.76 3.94 0.72 0.00 0.08 -4.61 105.19 107.66 3dfp n GLY 101 Ca 0.23 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.01 3dfp n GLY 101 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3dfp s GLY 102 N -1.69 1.43 -0.07 -0.02 0.00 -0.74 -4.83 107.32 101.39 3dfp s GLY 102 Ca 0.00 -0.95 -0.06 0.00 0.00 0.00 0.00 44.72 43.71 3dfp s GLY 102 CO 0.00 -0.91 0.18 0.14 0.00 0.00 0.00 173.10 172.50 3dfp s VAL 103 N -2.13 5.45 -0.10 1.40 1.01 -0.46 -3.73 120.40 121.85 3dfp s VAL 103 Ca 0.38 0.13 -0.18 0.00 0.00 0.00 0.00 61.98 62.31 3dfp s VAL 103 Cb -0.10 -3.47 -0.04 0.00 0.00 0.00 0.00 36.38 32.77 3dfp s VAL 103 CO 0.33 0.51 0.49 -0.69 0.00 0.00 0.00 175.10 175.74 3dfp s VAL 104 N -1.14 5.15 0.21 2.92 1.01 -1.26 -1.12 120.40 126.17 3dfp s VAL 104 Ca 0.20 0.99 0.10 0.00 0.00 0.00 0.00 61.98 63.28 3dfp s VAL 104 Cb -0.12 -3.83 -0.04 0.00 0.00 0.00 0.00 36.38 32.38 3dfp s VAL 104 CO 0.10 0.35 -0.15 -0.83 0.00 0.00 0.00 175.10 174.57 3dfp s GLY 105 N 0.44 1.74 -0.02 4.51 0.00 0.90 -1.26 107.32 113.64 3dfp s GLY 105 Ca 0.27 -1.62 0.00 0.00 0.00 0.00 0.00 44.72 43.37 3dfp s GLY 105 CO 0.11 -1.66 0.00 -1.50 0.00 0.00 0.00 173.10 170.06 3dfp s ILE 106 N -1.91 0.09 -0.02 0.90 1.10 -0.79 -0.32 121.20 120.25 3dfp s ILE 106 Ca 0.25 0.07 -0.30 0.00 -0.51 0.00 0.00 60.65 60.16 3dfp s ILE 106 Cb -0.08 -0.15 -0.04 0.00 0.15 0.00 0.00 42.46 42.34 3dfp s ILE 106 CO 0.14 0.09 1.17 -0.75 -2.11 0.00 0.00 174.94 173.48 3dfp s LYS 107 N 0.63 4.40 0.00 3.50 2.20 -0.93 -1.77 119.74 127.77 3dfp s LYS 107 Ca -0.06 1.66 0.00 0.00 -0.36 0.00 0.00 55.97 57.22 3dfp s LYS 107 Cb -0.09 -3.49 0.00 0.00 -1.51 0.00 0.00 37.83 32.75 3dfp s LYS 107 CO -0.01 -0.35 0.01 1.33 -0.36 0.00 0.00 175.35 175.97 3dfp n VAL 108 N 4.34 0.00 -1.58 4.02 0.24 -0.67 -4.73 118.33 119.95 3dfp n VAL 108 Ca 0.10 -0.50 -0.30 0.00 -2.04 0.00 0.00 64.34 61.60 3dfp n VAL 108 Cb 0.47 1.00 0.09 0.00 -1.47 0.00 0.00 33.84 33.92 3dfp n VAL 108 CO 0.00 0.00 0.00 1.51 -2.14 0.00 0.00 176.83 176.20 3dfp s ASP 109 N -0.97 4.59 -0.27 -1.34 1.47 -1.23 -4.89 116.67 114.03 3dfp s ASP 109 Ca 0.00 1.30 0.09 0.00 1.18 0.00 0.00 52.55 55.11 3dfp s ASP 109 Cb 0.00 -2.04 0.45 0.00 -0.34 0.00 0.00 42.92 40.99 3dfp s ASP 109 CO 0.00 -1.91 1.28 0.29 0.68 0.00 0.00 175.17 175.51 3dfp n LYS 110 N -3.39 2.46 0.00 2.11 5.02 0.02 -4.97 118.16 119.41 3dfp n LYS 110 Ca 0.07 -3.63 0.00 0.00 -2.02 0.00 0.00 58.31 52.73 3dfp n LYS 110 Cb 0.56 -1.93 0.00 0.00 -0.02 0.00 0.00 35.03 33.64 3dfp n LYS 110 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3dfp n GLY 111 N -0.95 -1.01 3.89 0.72 0.00 -1.26 -4.72 105.19 101.85 3dfp n GLY 111 Ca 0.33 -1.64 -0.29 0.00 0.00 0.00 0.00 46.02 44.41 3dfp n GLY 111 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3dfp s VAL 112 N -2.06 4.83 0.01 1.61 -7.23 -1.26 -1.65 120.40 114.64 3dfp s VAL 112 Ca 0.00 0.48 0.00 0.00 -1.81 0.00 0.00 61.98 60.66 3dfp s VAL 112 Cb 0.00 -3.79 -0.01 0.00 0.56 0.00 0.00 36.38 33.14 3dfp s VAL 112 CO 0.00 -0.69 -0.02 0.68 -0.31 0.00 0.00 175.10 174.75 3dfp s VAL 113 N -2.57 0.13 0.34 1.32 -7.23 -0.35 -4.89 120.40 107.16 3dfp s VAL 113 Ca 0.50 -0.47 -0.28 0.00 -1.81 0.00 0.00 61.98 59.92 3dfp s VAL 113 Cb -0.10 -0.19 -0.10 0.00 0.56 0.00 0.00 36.38 36.54 3dfp s VAL 113 CO 0.38 -0.22 1.34 -2.16 -0.31 0.00 0.00 175.10 174.13 3dfp s PRO 114 N -0.72 4.29 -0.41 4.82 0.04 -1.26 -1.71 135.00 140.05 3dfp s PRO 114 Ca -0.07 2.27 -0.16 0.00 0.04 0.00 0.00 61.00 63.08 3dfp s PRO 114 Cb -0.05 -3.03 0.02 0.00 0.04 0.00 0.00 34.50 31.48 3dfp s PRO 114 CO -0.00 -0.27 0.37 -0.51 0.04 0.00 0.00 177.00 176.63 3dfp s LEU 115 N -1.89 4.96 0.53 -3.56 1.43 -0.15 -4.84 118.68 115.17 3dfp s LEU 115 Ca 0.50 -0.76 -0.22 0.00 -1.03 0.00 0.00 54.13 52.62 3dfp s LEU 115 Cb -0.41 -2.28 -0.06 0.00 0.03 0.00 0.00 46.19 43.47 3dfp s LEU 115 CO 0.54 -0.51 1.21 0.00 0.23 0.00 0.00 176.35 177.82 3dfp n ALA 116 N 5.39 1.03 -0.99 4.21 0.00 -1.26 -2.75 120.51 126.13 3dfp n ALA 116 Ca -0.09 0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.47 3dfp n ALA 116 Cb 0.47 -2.25 0.00 0.00 0.00 0.00 0.00 19.45 17.67 3dfp n ALA 116 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dfp n GLY 117 N 0.95 0.60 3.62 0.00 0.00 -1.26 -5.03 105.19 104.08 3dfp n GLY 117 Ca 0.11 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.86 3dfp n GLY 117 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3dfp s THR 118 N -2.46 2.16 -1.28 2.61 -4.23 -1.11 -5.05 115.64 106.28 3dfp s THR 118 Ca 0.00 -1.99 -0.11 0.00 -1.18 0.00 0.00 61.69 58.41 3dfp s THR 118 Cb 0.00 -2.91 0.15 0.00 1.34 0.00 0.00 72.50 71.08 3dfp s THR 118 CO 0.00 -0.06 1.81 -3.20 -0.54 0.00 0.00 174.62 172.63 3dfp n ASN 119 N -0.97 5.00 -1.11 3.99 5.15 -1.26 -4.50 115.26 121.56 3dfp n ASN 119 Ca -0.04 -3.05 -0.11 0.00 -0.60 0.00 0.00 54.58 50.78 3dfp n ASN 119 Cb 0.65 -1.52 -0.02 0.00 -0.53 0.00 0.00 39.78 38.36 3dfp n ASN 119 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3dfp n GLY 120 N 3.28 0.33 3.94 8.20 0.00 -1.26 -5.03 105.19 114.65 3dfp n GLY 120 Ca 0.41 -0.46 -0.24 0.00 0.00 0.00 0.00 46.02 45.73 3dfp n GLY 120 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3dfp s GLU 121 N -4.03 3.21 0.27 1.61 2.02 -1.26 -4.98 118.70 115.54 3dfp s GLU 121 Ca 0.00 -0.36 0.01 0.00 0.02 0.00 0.00 54.97 54.63 3dfp s GLU 121 Cb 0.00 -2.55 -0.03 0.00 0.10 0.00 0.00 34.13 31.65 3dfp s GLU 121 CO 0.00 -0.18 0.27 0.95 0.02 0.00 0.00 175.26 176.32 3dfp s THR 122 N -2.53 0.00 0.31 3.63 -4.23 -1.26 -0.98 115.64 110.58 3dfp s THR 122 Ca 0.46 -1.88 0.04 0.00 -1.18 0.00 0.00 61.69 59.13 3dfp s THR 122 Cb -0.10 -2.50 -0.02 0.00 1.34 0.00 0.00 72.50 71.23 3dfp s THR 122 CO 0.38 0.00 0.15 1.07 -0.54 0.00 0.00 174.62 175.68 3dfp n THR 123 N -0.45 0.00 -5.10 3.99 5.66 -0.69 -4.82 114.28 112.87 3dfp n THR 123 Ca 0.03 -1.91 -0.28 0.00 -3.05 0.00 0.00 64.05 58.85 3dfp n THR 123 Cb 0.64 0.76 -0.16 0.00 -1.55 0.00 0.00 70.33 70.02 3dfp n THR 123 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 3dfp s THR 124 N -2.85 1.75 0.37 1.09 2.01 -1.26 -1.21 115.64 115.54 3dfp s THR 124 Ca 0.21 -0.94 0.07 0.00 0.31 0.00 0.00 61.69 61.34 3dfp s THR 124 Cb 0.01 -1.45 -0.01 0.00 0.01 0.00 0.00 72.50 71.05 3dfp s THR 124 CO 0.15 0.49 0.41 0.00 -0.69 0.00 0.00 174.62 174.98 3dfp s GLN 125 N -0.50 2.77 0.00 4.92 -2.07 -0.66 -4.92 119.66 119.21 3dfp s GLN 125 Ca 0.08 -1.29 0.00 0.00 -1.82 0.00 0.00 55.36 52.33 3dfp s GLN 125 Cb -0.09 -2.58 0.00 0.00 -1.09 0.00 0.00 33.01 29.26 3dfp s GLN 125 CO -0.01 -0.06 0.00 0.41 -1.32 0.00 0.00 175.29 174.31 3dfp n GLY 126 N -1.57 -0.64 0.17 2.60 0.00 -1.26 -0.80 105.19 103.69 3dfp n GLY 126 Ca 0.02 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.09 3dfp n GLY 126 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3dfp h LEU 127 N 0.00 0.00 -9.37 0.99 3.38 -1.91 -3.40 115.31 104.99 3dfp h LEU 127 Ca 0.00 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.44 3dfp h LEU 127 Cb 0.00 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.77 3dfp h LEU 127 CO 0.00 0.41 1.20 -1.81 0.09 0.00 0.00 178.44 178.33 3dfp s ASP 128 N -6.41 6.47 -0.53 -0.43 1.01 -1.26 -1.60 116.67 113.91 3dfp s ASP 128 Ca 0.01 2.64 0.00 0.00 0.71 0.00 0.00 52.55 55.92 3dfp s ASP 128 Cb 0.10 -2.54 0.00 0.00 1.01 0.00 0.00 42.92 41.49 3dfp s ASP 128 CO 0.70 -1.03 0.00 0.61 0.21 0.00 0.00 175.17 175.66 3dfp n GLY 129 N 4.46 0.62 0.31 0.21 0.00 -1.26 -4.88 105.19 104.64 3dfp n GLY 129 Ca 0.19 -0.12 0.03 0.00 0.00 0.00 0.00 46.02 46.13 3dfp n GLY 129 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3dfp h LEU 130 N 0.00 0.50 -0.49 0.99 5.85 -1.52 -2.22 115.31 118.42 3dfp h LEU 130 Ca -0.10 -0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.57 3dfp h LEU 130 Cb 0.78 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.66 3dfp h LEU 130 CO 0.15 0.38 0.20 -1.28 -0.34 0.00 0.00 178.44 177.55 3dfp h SER 131 N 0.59 0.67 -0.40 1.25 0.87 -1.90 -0.26 113.55 114.36 3dfp h SER 131 Ca 0.16 -0.17 -0.11 0.00 -1.23 0.00 0.00 61.79 60.44 3dfp h SER 131 Cb -0.04 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 61.73 3dfp h SER 131 CO -0.03 0.65 -0.14 -0.33 -0.53 0.00 0.00 176.83 176.45 3dfp h GLU 132 N 0.64 0.87 -0.61 2.24 3.07 -1.90 -2.19 114.58 116.71 3dfp h GLU 132 Ca 0.16 -0.32 -0.08 0.00 -0.50 0.00 0.00 59.36 58.63 3dfp h GLU 132 Cb 0.19 -0.06 -0.02 0.00 -0.84 0.00 0.00 28.75 28.02 3dfp h GLU 132 CO -0.01 0.95 0.07 0.00 -1.40 0.00 0.00 179.01 178.62 3dfp h ARG 133 N 0.78 1.03 -0.53 2.33 3.08 -1.11 -2.18 114.38 117.78 3dfp h ARG 133 Ca 0.12 -0.29 -0.09 0.00 0.07 0.00 0.00 59.98 59.79 3dfp h ARG 133 Cb 0.66 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.58 3dfp h ARG 133 CO 0.05 0.98 -0.04 0.00 -1.07 0.00 0.00 179.97 179.88 3dfp h ALA 135 N 1.10 0.94 -0.31 0.00 0.00 -1.26 -0.90 119.26 118.83 3dfp h ALA 135 Ca 0.15 -0.29 -0.09 0.00 0.00 0.00 0.00 54.91 54.68 3dfp h ALA 135 Cb 0.56 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 3dfp h ALA 135 CO 0.03 0.64 -0.15 0.37 0.00 0.00 0.00 179.25 180.15 3dfp h GLN 136 N 0.90 0.64 -0.37 0.00 5.75 -1.16 -2.57 115.11 118.31 3dfp h GLN 136 Ca 0.17 -0.28 -0.08 0.00 -0.15 0.00 0.00 58.65 58.31 3dfp h GLN 136 Cb 0.51 -0.02 -0.02 0.00 1.07 0.00 0.00 27.48 29.03 3dfp h GLN 136 CO 0.03 0.87 -0.09 1.88 -2.65 0.00 0.00 178.83 178.86 3dfp h TYR 137 N 0.40 0.69 -0.09 3.99 0.05 -1.05 -1.95 116.97 119.01 3dfp h TYR 137 Ca 0.07 -0.11 -0.00 0.00 0.05 0.00 0.00 58.73 58.74 3dfp h TYR 137 Cb 0.67 -0.18 -0.00 0.00 1.01 0.00 0.00 36.73 38.22 3dfp h TYR 137 CO 0.06 0.71 0.05 -0.22 -1.05 0.00 0.00 178.16 177.71 3dfp h LYS 138 N 0.59 0.12 -0.95 4.88 1.63 -1.08 0.26 116.57 122.02 3dfp h LYS 138 Ca 0.11 -0.01 0.04 0.00 -0.85 0.00 0.00 60.65 59.93 3dfp h LYS 138 Cb 0.51 -0.03 -0.05 0.00 -0.60 0.00 0.00 32.23 32.06 3dfp h LYS 138 CO 0.03 0.13 0.62 -0.22 -3.45 0.00 0.00 179.45 176.57 3dfp h LYS 139 N 0.08 1.16 -0.59 1.90 3.64 -1.25 -2.31 116.57 119.20 3dfp h LYS 139 Ca 0.03 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 3dfp h LYS 139 Cb 0.04 -0.26 0.00 0.00 -0.41 0.00 0.00 32.23 31.60 3dfp h LYS 139 CO -0.01 0.77 0.00 -0.25 -2.27 0.00 0.00 179.45 177.69 3dfp n ASP 140 N -4.44 1.65 0.00 4.20 8.00 -0.75 -4.89 116.55 120.32 3dfp n ASP 140 Ca 0.13 -2.13 0.00 0.00 0.71 0.00 0.00 54.79 53.50 3dfp n ASP 140 Cb 0.10 -0.36 0.00 0.00 -0.02 0.00 0.00 41.12 40.84 3dfp n ASP 140 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3dfp n GLY 141 N 0.43 0.64 3.85 0.44 0.00 -0.87 -4.97 105.19 104.72 3dfp n GLY 141 Ca 0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.72 3dfp n GLY 141 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dfp s ALA 142 N -2.00 3.70 0.00 4.61 0.00 0.05 -4.50 121.76 123.62 3dfp s ALA 142 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 51.96 51.68 3dfp s ALA 142 Cb 0.00 -2.35 0.00 0.00 0.00 0.00 0.00 23.12 20.77 3dfp s ALA 142 CO 0.00 0.52 0.00 -0.25 0.00 0.00 0.00 175.76 176.03 3dfp n ASP 143 N 1.29 1.25 -3.93 0.00 10.43 -0.39 -4.05 116.55 121.15 3dfp n ASP 143 Ca -0.10 -0.29 -0.09 0.00 2.57 0.00 0.00 54.79 56.88 3dfp n ASP 143 Cb 0.52 0.84 -0.08 0.00 1.84 0.00 0.00 41.12 44.24 3dfp n ASP 143 CO 0.00 0.00 0.00 0.72 -1.07 0.00 0.00 177.20 176.85 3dfp s PHE 144 N -1.09 0.29 0.36 1.24 -0.71 -1.19 -1.52 117.98 115.36 3dfp s PHE 144 Ca 0.00 -0.73 0.04 0.00 -1.04 0.00 0.00 56.93 55.20 3dfp s PHE 144 Cb 0.00 -0.15 -0.06 0.00 -1.21 0.00 0.00 43.02 41.60 3dfp s PHE 144 CO 0.00 -0.53 0.05 0.00 -1.34 0.00 0.00 175.22 173.40 3dfp s ALA 145 N -3.90 2.64 -0.04 1.99 0.00 -0.22 -1.89 121.76 120.35 3dfp s ALA 145 Ca 0.08 -2.02 0.02 0.00 0.00 0.00 0.00 51.96 50.04 3dfp s ALA 145 Cb 0.05 0.53 0.01 0.00 0.00 0.00 0.00 23.12 23.72 3dfp s ALA 145 CO -0.09 -0.26 -0.08 0.21 0.00 0.00 0.00 175.76 175.54 3dfp s LYS 146 N -3.84 1.07 -0.10 0.00 2.36 -0.73 -2.73 119.74 115.77 3dfp s LYS 146 Ca 0.34 -0.25 -0.04 0.00 -2.55 0.00 0.00 55.97 53.47 3dfp s LYS 146 Cb 0.08 -0.98 0.05 0.00 -1.05 0.00 0.00 37.83 35.94 3dfp s LYS 146 CO 0.16 0.02 0.21 -0.46 1.55 0.00 0.00 175.35 176.82 3dfp s TRP 147 N 0.58 -0.29 -0.18 4.03 -0.11 -1.26 -1.67 118.94 120.04 3dfp s TRP 147 Ca -0.09 0.76 -0.03 0.00 1.22 0.00 0.00 56.10 57.96 3dfp s TRP 147 Cb -0.13 -0.11 -0.02 0.00 -1.50 0.00 0.00 33.47 31.71 3dfp s TRP 147 CO 0.01 -0.29 -0.06 0.50 -4.62 0.00 0.00 176.95 172.50 3dfp s ARG 148 N 2.07 3.50 -0.01 5.86 3.52 -1.26 -3.59 118.95 129.04 3dfp s ARG 148 Ca -0.01 -0.59 0.02 0.00 -0.13 0.00 0.00 55.73 55.02 3dfp s ARG 148 Cb -0.12 -2.90 -0.03 0.00 -1.56 0.00 0.00 34.95 30.34 3dfp s ARG 148 CO -0.07 0.06 -0.05 0.00 -0.81 0.00 0.00 175.30 174.42 3dfp s VAL 150 N -0.98 1.72 0.12 0.00 1.01 -1.26 -1.75 120.40 119.26 3dfp s VAL 150 Ca 0.17 -0.82 0.08 0.00 0.00 0.00 0.00 61.98 61.41 3dfp s VAL 150 Cb -0.11 -1.51 -0.04 0.00 0.00 0.00 0.00 36.38 34.73 3dfp s VAL 150 CO 0.07 0.48 -0.19 -0.76 0.00 0.00 0.00 175.10 174.71 3dfp s LEU 151 N 0.48 2.35 -0.01 3.92 1.43 -0.43 -4.56 118.68 121.86 3dfp s LEU 151 Ca -0.17 -0.75 0.03 0.00 -1.03 0.00 0.00 54.13 52.21 3dfp s LEU 151 Cb -0.17 -0.79 -0.01 0.00 0.03 0.00 0.00 46.19 45.25 3dfp s LEU 151 CO 0.07 -0.01 -0.09 -0.75 0.23 0.00 0.00 176.35 175.79 3dfp s LYS 152 N -2.27 0.81 -0.20 1.70 2.20 -1.26 -1.43 119.74 119.29 3dfp s LYS 152 Ca 0.09 -0.34 -0.23 0.00 -0.36 0.00 0.00 55.97 55.13 3dfp s LYS 152 Cb -0.08 -0.77 -0.02 0.00 -1.51 0.00 0.00 37.83 35.45 3dfp s LYS 152 CO 0.05 0.19 0.76 0.42 -0.36 0.00 0.00 175.35 176.40 3dfp s ILE 153 N -0.16 4.92 0.00 5.43 1.01 -1.26 -2.54 121.20 128.60 3dfp s ILE 153 Ca 0.03 1.45 0.00 0.00 0.00 0.00 0.00 60.65 62.13 3dfp s ILE 153 Cb -0.04 -4.06 0.00 0.00 0.01 0.00 0.00 42.46 38.36 3dfp s ILE 153 CO -0.00 0.03 0.00 0.61 0.00 0.00 0.00 174.94 175.58 3dfp n GLY 154 N 3.66 3.64 0.32 6.18 0.00 -0.21 -4.85 105.19 113.93 3dfp n GLY 154 Ca 0.03 -1.19 -0.03 0.00 0.00 0.00 0.00 46.02 44.82 3dfp n GLY 154 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3dfp h GLU 155 N 0.00 0.91 0.00 1.61 4.81 -2.01 -3.27 114.58 116.64 3dfp h GLU 155 Ca 0.00 -0.16 -0.03 0.00 -0.13 0.00 0.00 59.36 59.04 3dfp h GLU 155 Cb 0.00 -0.15 -0.07 0.00 0.63 0.00 0.00 28.75 29.16 3dfp h GLU 155 CO 0.00 0.77 -0.45 0.72 -0.73 0.00 0.00 179.01 179.33 3dfp n HIS 156 N -4.30 0.00 -4.11 0.92 8.25 -1.26 -5.08 115.22 109.64 3dfp n HIS 156 Ca 0.05 -0.57 -0.13 0.00 -0.26 0.00 0.00 57.72 56.80 3dfp n HIS 156 Cb 0.19 -0.12 -0.11 0.00 1.12 0.00 0.00 29.99 31.07 3dfp n HIS 156 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 3dfp s THR 157 N -1.27 0.70 0.26 1.59 -4.23 -1.23 -3.81 115.64 107.66 3dfp s THR 157 Ca 0.20 -1.36 -0.29 0.00 -1.18 0.00 0.00 61.69 59.06 3dfp s THR 157 Cb 0.20 -0.99 -0.09 0.00 1.34 0.00 0.00 72.50 72.95 3dfp s THR 157 CO -0.03 -0.49 1.26 -2.84 -0.54 0.00 0.00 174.62 171.99 3dfp s PRO 158 N -2.23 4.43 0.69 3.99 0.02 -1.05 -1.04 135.00 139.81 3dfp s PRO 158 Ca -0.02 2.06 -0.09 0.00 0.02 0.00 0.00 61.00 62.97 3dfp s PRO 158 Cb -0.06 -3.15 0.04 0.00 0.02 0.00 0.00 34.50 31.35 3dfp s PRO 158 CO -0.00 -0.13 1.04 -1.54 -0.33 0.00 0.00 177.00 176.03 3dfp s SER 159 N -0.22 5.13 0.22 2.53 1.04 -1.25 -4.88 113.70 116.27 3dfp s SER 159 Ca 0.51 0.76 -0.08 0.00 0.48 0.00 0.00 55.95 57.63 3dfp s SER 159 Cb -0.37 -1.51 0.27 0.00 0.10 0.00 0.00 66.02 64.51 3dfp s SER 159 CO 0.44 -1.45 1.82 0.00 0.98 0.00 0.00 173.24 175.04 3dfp h ALA 160 N -0.59 0.98 -0.42 5.32 0.00 -2.00 -2.06 119.26 120.50 3dfp h ALA 160 Ca -0.45 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.45 3dfp h ALA 160 Cb 1.29 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 3dfp h ALA 160 CO 0.62 0.11 0.19 1.25 0.00 0.00 0.00 179.25 181.43 3dfp h LEU 161 N 0.77 0.55 -0.34 0.00 5.85 -1.99 -1.67 115.31 118.48 3dfp h LEU 161 Ca 0.32 -0.13 0.01 0.00 0.84 0.00 0.00 57.88 58.92 3dfp h LEU 161 Cb 0.19 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.06 3dfp h LEU 161 CO -0.18 0.53 0.22 0.00 -0.34 0.00 0.00 178.44 178.66 3dfp h ALA 162 N 1.04 0.43 -0.04 1.25 0.00 -1.84 0.54 119.26 120.64 3dfp h ALA 162 Ca 0.14 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 3dfp h ALA 162 Cb 0.13 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 3dfp h ALA 162 CO -0.02 -0.12 0.02 0.82 0.00 0.00 0.00 179.25 179.94 3dfp h ILE 163 N 0.44 1.14 -0.18 0.00 2.04 -1.30 -1.41 117.51 118.24 3dfp h ILE 163 Ca 0.13 -0.41 -0.00 0.00 1.00 0.00 0.00 64.86 65.58 3dfp h ILE 163 Cb -0.03 1.34 -0.01 0.00 -0.74 0.00 0.00 36.82 37.38 3dfp h ILE 163 CO -0.04 0.11 0.11 -0.03 0.00 0.00 0.00 178.15 178.30 3dfp h MET 164 N -0.10 0.24 -0.37 2.37 4.05 -1.15 -1.44 114.93 118.53 3dfp h MET 164 Ca 0.01 -0.02 -0.05 0.00 -0.28 0.00 0.00 59.70 59.36 3dfp h MET 164 Cb 0.17 -0.05 -0.01 0.00 -0.80 0.00 0.00 31.60 30.90 3dfp h MET 164 CO -0.00 0.21 0.03 1.49 0.23 0.00 0.00 176.91 178.87 3dfp h GLU 165 N 0.21 0.64 -0.60 0.39 4.57 -0.90 -1.76 114.58 117.13 3dfp h GLU 165 Ca 0.06 -0.19 -0.08 0.00 -1.18 0.00 0.00 59.36 57.98 3dfp h GLU 165 Cb 0.03 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 28.53 3dfp h GLU 165 CO -0.01 0.72 0.06 -0.91 -1.18 0.00 0.00 179.01 177.69 3dfp h ASN 166 N 0.47 0.95 -0.47 1.04 2.35 -1.23 -1.55 115.58 117.14 3dfp h ASN 166 Ca 0.11 -0.23 -0.09 0.00 -0.55 0.00 0.00 56.30 55.54 3dfp h ASN 166 Cb 0.41 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.51 3dfp h ASN 166 CO 0.01 0.97 -0.01 0.00 -1.65 0.00 0.00 177.43 176.75 3dfp h ALA 167 N 1.13 0.98 -0.18 -0.83 0.00 -1.17 -2.34 119.26 116.86 3dfp h ALA 167 Ca 0.18 -0.29 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 3dfp h ALA 167 Cb 0.45 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 3dfp h ALA 167 CO 0.02 0.62 -0.13 -0.97 0.00 0.00 0.00 179.25 178.78 3dfp h ASN 168 N 0.83 0.42 -0.60 0.00 -1.24 -1.05 -2.75 115.58 111.18 3dfp h ASN 168 Ca 0.15 -0.45 -0.04 0.00 0.71 0.00 0.00 56.30 56.67 3dfp h ASN 168 Cb 0.51 -0.12 -0.03 0.00 0.73 0.00 0.00 38.32 39.42 3dfp h ASN 168 CO 0.03 0.78 0.21 1.62 -1.29 0.00 0.00 177.43 178.78 3dfp h VAL 169 N 0.06 1.23 -0.83 2.57 3.04 -1.24 -1.75 116.25 119.34 3dfp h VAL 169 Ca 0.03 -0.78 -0.00 0.00 -1.01 0.00 0.00 66.70 64.94 3dfp h VAL 169 Cb 0.65 0.52 -0.04 0.00 -2.01 0.00 0.00 31.29 30.40 3dfp h VAL 169 CO 0.03 0.30 0.51 -0.07 -1.01 0.00 0.00 177.57 177.34 3dfp h LEU 170 N 0.92 0.98 -0.87 3.16 3.38 -1.41 -1.20 115.31 120.28 3dfp h LEU 170 Ca 0.21 -0.05 -0.09 0.00 0.09 0.00 0.00 57.88 58.04 3dfp h LEU 170 Cb 0.24 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 3dfp h LEU 170 CO -0.01 0.75 -0.11 0.00 0.09 0.00 0.00 178.44 179.15 3dfp h ALA 171 N 1.42 1.05 -0.41 1.53 0.00 -1.04 -0.60 119.26 121.21 3dfp h ALA 171 Ca 0.30 -0.31 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 3dfp h ALA 171 Cb -0.06 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 3dfp h ALA 171 CO -0.06 0.58 -0.07 0.00 0.00 0.00 0.00 179.25 179.70 3dfp h ARG 172 N 0.66 0.77 -0.66 0.00 2.47 -0.76 -1.31 114.38 115.54 3dfp h ARG 172 Ca 0.11 -0.28 -0.04 0.00 -1.26 0.00 0.00 59.98 58.51 3dfp h ARG 172 Cb 0.57 -0.05 -0.03 0.00 -1.65 0.00 0.00 29.97 28.81 3dfp h ARG 172 CO 0.04 0.88 0.25 -0.92 0.56 0.00 0.00 179.97 180.78 3dfp h TYR 173 N 0.59 1.02 -0.59 3.04 3.20 -1.02 -2.39 116.97 120.81 3dfp h TYR 173 Ca 0.11 -0.08 -0.07 0.00 3.14 0.00 0.00 58.73 61.82 3dfp h TYR 173 Cb 0.58 -0.30 -0.02 0.00 1.54 0.00 0.00 36.73 38.53 3dfp h TYR 173 CO 0.05 0.81 0.09 0.00 -1.64 0.00 0.00 178.16 177.46 3dfp h ALA 174 N 1.11 0.79 -0.28 1.82 0.00 -0.96 -2.22 119.26 119.51 3dfp h ALA 174 Ca 0.22 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 3dfp h ALA 174 Cb 0.23 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3dfp h ALA 174 CO -0.02 0.55 0.16 1.03 0.00 0.00 0.00 179.25 180.97 3dfp h SER 175 N 0.89 0.35 -0.58 0.00 0.87 -1.03 -2.13 113.55 111.92 3dfp h SER 175 Ca 0.18 -0.08 -0.09 0.00 -1.23 0.00 0.00 61.79 60.57 3dfp h SER 175 Cb 0.44 -0.09 -0.02 0.00 -0.44 0.00 0.00 62.40 62.29 3dfp h SER 175 CO 0.01 0.33 0.01 0.40 -0.53 0.00 0.00 176.83 177.04 3dfp h ILE 176 N 0.34 1.26 0.23 2.23 2.04 -1.38 -2.80 117.51 119.42 3dfp h ILE 176 Ca 0.10 -1.13 -0.01 0.00 1.00 0.00 0.00 64.86 64.82 3dfp h ILE 176 Cb 0.05 0.80 0.00 0.00 -0.74 0.00 0.00 36.82 36.93 3dfp h ILE 176 CO -0.02 0.41 -0.11 0.00 0.00 0.00 0.00 178.15 178.44 3dfp h GLN 178 N -0.34 0.00 0.00 0.00 4.20 -1.34 0.57 115.11 118.20 3dfp h GLN 178 Ca -0.03 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.68 3dfp h GLN 178 Cb 0.26 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.04 3dfp h GLN 178 CO 0.05 0.00 0.00 1.96 -0.67 0.00 0.00 178.83 180.17 3dfp h GLN 179 N 0.00 0.00 -0.30 1.46 1.08 -1.30 -2.97 115.11 113.09 3dfp h GLN 179 Ca 0.02 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.22 3dfp h GLN 179 Cb 0.10 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.53 3dfp h GLN 179 CO -0.00 0.00 0.00 0.09 -0.95 0.00 0.00 178.83 177.97 3dfp n ASN 180 N -2.91 3.39 -0.42 1.46 3.02 0.12 -4.97 115.26 114.96 3dfp n ASN 180 Ca 0.01 -2.51 -0.05 0.00 -0.03 0.00 0.00 54.58 51.99 3dfp n ASN 180 Cb 0.29 -0.39 -0.02 0.00 -0.61 0.00 0.00 39.78 39.05 3dfp n ASN 180 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3dfp n GLY 181 N -0.02 0.73 3.39 7.41 0.00 -1.09 -4.80 105.19 110.82 3dfp n GLY 181 Ca 0.16 -0.81 -0.34 0.00 0.00 0.00 0.00 46.02 45.03 3dfp n GLY 181 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dfp s ILE 182 N -2.20 3.56 -0.19 -0.61 1.01 -0.76 -4.86 121.20 117.15 3dfp s ILE 182 Ca 0.00 -0.45 -0.29 0.00 0.00 0.00 0.00 60.65 59.91 3dfp s ILE 182 Cb 0.00 -2.59 -0.01 0.00 0.01 0.00 0.00 42.46 39.87 3dfp s ILE 182 CO 0.00 0.46 1.33 -0.69 0.00 0.00 0.00 174.94 176.03 3dfp s VAL 183 N 0.94 4.15 0.08 2.92 1.01 -0.58 -3.16 120.40 125.76 3dfp s VAL 183 Ca -0.00 1.37 -0.22 0.00 0.00 0.00 0.00 61.98 63.12 3dfp s VAL 183 Cb -0.15 -3.97 -0.07 0.00 0.00 0.00 0.00 36.38 32.20 3dfp s VAL 183 CO 0.01 -0.22 0.67 -2.16 0.00 0.00 0.00 175.10 173.40 3dfp s PRO 184 N 3.78 4.39 -0.38 2.72 0.04 -1.26 -1.05 135.00 143.24 3dfp s PRO 184 Ca 0.58 0.92 -0.12 0.00 0.04 0.00 0.00 61.00 62.42 3dfp s PRO 184 Cb -0.22 -3.29 0.03 0.00 0.04 0.00 0.00 34.50 31.06 3dfp s PRO 184 CO 0.19 0.49 0.22 0.42 0.04 0.00 0.00 177.00 178.36 3dfp s ILE 185 N -0.71 4.66 -0.28 0.56 1.01 -1.10 -2.80 121.20 122.53 3dfp s ILE 185 Ca 0.33 -0.87 -0.29 0.00 0.00 0.00 0.00 60.65 59.83 3dfp s ILE 185 Cb -0.20 -3.62 0.00 0.00 0.01 0.00 0.00 42.46 38.65 3dfp s ILE 185 CO 0.21 -0.27 1.22 -0.69 0.00 0.00 0.00 174.94 175.41 3dfp s VAL 186 N 1.57 4.29 -0.52 2.92 1.01 -0.54 -4.09 120.40 125.04 3dfp s VAL 186 Ca 0.02 1.49 0.04 0.00 0.00 0.00 0.00 61.98 63.53 3dfp s VAL 186 Cb -0.19 -4.22 0.13 0.00 0.00 0.00 0.00 36.38 32.10 3dfp s VAL 186 CO 0.07 -0.42 0.27 -0.70 0.00 0.00 0.00 175.10 174.32 3dfp s GLU 187 N 3.88 1.98 -1.13 2.72 2.12 -1.24 -0.78 118.70 126.24 3dfp s GLU 187 Ca 0.52 -2.63 -0.09 0.00 0.36 0.00 0.00 54.97 53.13 3dfp s GLU 187 Cb -0.16 -3.30 0.27 0.00 0.26 0.00 0.00 34.13 31.20 3dfp s GLU 187 CO 0.19 -1.12 1.16 -0.35 -0.54 0.00 0.00 175.26 174.60 3dfp n PRO 188 N 3.08 3.57 -2.48 4.30 -0.04 -1.25 -1.60 135.00 140.57 3dfp n PRO 188 Ca 0.05 -4.41 -0.42 0.00 -0.04 0.00 0.00 63.50 58.68 3dfp n PRO 188 Cb 0.32 -2.59 -0.03 0.00 -0.04 0.00 0.00 33.50 31.17 3dfp n PRO 188 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 3dfp s GLU 189 N -1.11 4.34 -0.34 0.54 2.12 -0.72 -4.60 118.70 118.93 3dfp s GLU 189 Ca 0.32 1.64 -0.12 0.00 0.36 0.00 0.00 54.97 57.16 3dfp s GLU 189 Cb -0.09 -3.58 -0.01 0.00 0.26 0.00 0.00 34.13 30.71 3dfp s GLU 189 CO -0.07 -0.47 0.22 0.42 -0.54 0.00 0.00 175.26 174.83 3dfp s ILE 190 N 2.36 5.06 0.45 -3.70 1.01 -1.26 -1.32 121.20 123.81 3dfp s ILE 190 Ca 0.55 -0.37 -0.25 0.00 0.00 0.00 0.00 60.65 60.58 3dfp s ILE 190 Cb -0.23 -3.64 -0.08 0.00 0.01 0.00 0.00 42.46 38.51 3dfp s ILE 190 CO 0.20 -0.04 1.43 0.18 0.00 0.00 0.00 174.94 176.71 3dfp n LEU 191 N 5.07 5.06 -0.14 2.97 4.77 -0.52 -4.86 117.00 129.36 3dfp n LEU 191 Ca -0.13 1.12 0.15 0.00 -0.03 0.00 0.00 56.01 57.13 3dfp n LEU 191 Cb 0.49 -1.60 0.76 0.00 -2.33 0.00 0.00 43.42 40.74 3dfp n LEU 191 CO 0.36 -0.17 0.99 -0.81 -1.33 0.00 0.00 177.39 176.43 3dfp n PRO 192 N -0.17 1.03 -1.92 3.23 -0.04 -1.26 -4.47 135.00 131.40 3dfp n PRO 192 Ca 0.05 -0.28 -0.41 0.00 -0.04 0.00 0.00 63.50 62.82 3dfp n PRO 192 Cb 0.41 -1.49 -0.02 0.00 -0.04 0.00 0.00 33.50 32.36 3dfp n PRO 192 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3dfp s ASP 193 N -2.16 6.55 0.00 3.54 1.11 -1.26 -0.90 116.67 123.55 3dfp s ASP 193 Ca 0.40 2.78 0.00 0.00 0.18 0.00 0.00 52.55 55.90 3dfp s ASP 193 Cb 0.21 -2.63 0.00 0.00 1.07 0.00 0.00 42.92 41.57 3dfp s ASP 193 CO 0.39 -0.78 0.00 0.61 1.18 0.00 0.00 175.17 176.57 3dfp n GLY 194 N 2.16 1.97 1.19 0.21 0.00 -1.26 -4.66 105.19 104.79 3dfp n GLY 194 Ca 0.07 -2.08 0.06 0.00 0.00 0.00 0.00 46.02 44.07 3dfp n GLY 194 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3dfp n ASP 195 N 0.00 4.23 -4.80 1.61 5.75 -1.26 -0.08 116.55 122.00 3dfp n ASP 195 Ca 0.00 -3.07 -0.31 0.00 -0.01 0.00 0.00 54.79 51.40 3dfp n ASP 195 Cb 0.00 -0.59 0.06 0.00 -1.03 0.00 0.00 41.12 39.56 3dfp n ASP 195 CO 0.00 0.00 0.00 -1.38 -0.11 0.00 0.00 177.20 175.71 3dfp s HIS 196 N -2.87 2.89 0.49 2.11 -3.43 -1.26 -4.29 115.29 108.93 3dfp s HIS 196 Ca 0.46 1.48 0.04 0.00 -0.80 0.00 0.00 55.06 56.24 3dfp s HIS 196 Cb 0.37 -2.96 0.09 0.00 -1.43 0.00 0.00 32.58 28.65 3dfp s HIS 196 CO 0.10 -1.45 0.67 -0.40 -2.00 0.00 0.00 174.74 171.67 3dfp n ASP 197 N -3.15 1.31 -0.13 7.38 5.68 -1.26 0.04 116.55 126.41 3dfp n ASP 197 Ca 0.08 -2.01 -0.06 0.00 -0.50 0.00 0.00 54.79 52.31 3dfp n ASP 197 Cb 0.53 -0.40 0.03 0.00 -1.14 0.00 0.00 41.12 40.14 3dfp n ASP 197 CO 0.00 0.00 0.00 0.25 -1.33 0.00 0.00 177.20 176.12 3dfp h LEU 198 N 0.00 0.32 -0.85 -2.12 5.85 -1.92 -2.73 115.31 113.86 3dfp h LEU 198 Ca -0.22 0.02 0.04 0.00 0.84 0.00 0.00 57.88 58.56 3dfp h LEU 198 Cb 0.93 -0.04 -0.05 0.00 0.37 0.00 0.00 40.66 41.86 3dfp h LEU 198 CO 0.28 0.23 0.54 0.11 -0.34 0.00 0.00 178.44 179.26 3dfp h LYS 199 N 0.44 1.01 -0.44 1.25 1.57 -1.95 -1.47 116.57 116.97 3dfp h LYS 199 Ca 0.18 -0.06 -0.06 0.00 -1.87 0.00 0.00 60.65 58.85 3dfp h LYS 199 Cb 0.09 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 32.15 3dfp h LYS 199 CO -0.13 0.67 0.06 -0.09 -0.57 0.00 0.00 179.45 179.39 3dfp h ARG 200 N 1.04 0.74 -0.53 3.15 2.43 -1.90 -1.12 114.38 118.18 3dfp h ARG 200 Ca 0.35 -0.21 -0.01 0.00 -0.81 0.00 0.00 59.98 59.30 3dfp h ARG 200 Cb 0.05 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.49 3dfp h ARG 200 CO -0.13 0.77 0.30 0.00 -1.51 0.00 0.00 179.97 179.40 3dfp h GLN 202 N 0.71 1.02 0.37 0.00 4.15 -1.08 0.86 115.11 121.15 3dfp h GLN 202 Ca 0.19 -0.07 -0.02 0.00 0.77 0.00 0.00 58.65 59.52 3dfp h GLN 202 Cb 0.04 -0.23 0.00 0.00 0.21 0.00 0.00 27.48 27.51 3dfp h GLN 202 CO -0.03 0.69 -0.18 -0.92 -1.93 0.00 0.00 178.83 176.46 3dfp h TYR 203 N 1.05 -0.47 -0.78 3.99 3.20 -0.84 -1.04 116.97 122.08 3dfp h TYR 203 Ca 0.28 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.13 3dfp h TYR 203 Cb -0.10 0.16 -0.04 0.00 1.54 0.00 0.00 36.73 38.29 3dfp h TYR 203 CO -0.02 -0.29 0.46 0.28 -1.64 0.00 0.00 178.16 176.95 3dfp h VAL 204 N -0.50 1.22 -0.60 1.81 2.07 -1.03 -1.94 116.25 117.29 3dfp h VAL 204 Ca -0.05 -0.52 -0.03 0.00 0.82 0.00 0.00 66.70 66.92 3dfp h VAL 204 Cb 0.39 0.15 -0.03 0.00 -1.52 0.00 0.00 31.29 30.28 3dfp h VAL 204 CO 0.08 0.24 0.23 0.74 0.02 0.00 0.00 177.57 178.88 3dfp h THR 205 N 1.07 1.22 -0.35 2.57 2.02 -0.67 -1.03 112.91 117.74 3dfp h THR 205 Ca 0.28 -0.68 -0.05 0.00 0.77 0.00 0.00 66.41 66.73 3dfp h THR 205 Cb -0.01 0.51 -0.01 0.00 -1.74 0.00 0.00 68.15 66.89 3dfp h THR 205 CO -0.05 0.27 0.02 -0.33 0.37 0.00 0.00 175.52 175.81 3dfp h GLU 206 N 0.86 0.60 -0.13 6.66 5.08 -0.72 -1.76 114.58 125.17 3dfp h GLU 206 Ca 0.20 -0.18 -0.11 0.00 -1.00 0.00 0.00 59.36 58.27 3dfp h GLU 206 Cb 0.18 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 3dfp h GLU 206 CO -0.02 0.70 -0.42 0.87 -1.00 0.00 0.00 179.01 179.15 3dfp h LYS 207 N 0.42 0.30 -0.06 2.33 1.79 -1.06 -2.50 116.57 117.80 3dfp h LYS 207 Ca 0.10 -0.15 -0.04 0.00 -2.18 0.00 0.00 60.65 58.39 3dfp h LYS 207 Cb 0.41 -0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.06 3dfp h LYS 207 CO 0.01 0.67 -0.11 0.28 -1.08 0.00 0.00 179.45 179.22 3dfp h VAL 208 N 0.25 1.42 0.00 0.50 2.07 -1.11 -2.93 116.25 116.45 3dfp h VAL 208 Ca 0.02 -1.42 -0.04 0.00 0.82 0.00 0.00 66.70 66.09 3dfp h VAL 208 Cb 0.84 2.21 -0.01 0.00 -1.52 0.00 0.00 31.29 32.82 3dfp h VAL 208 CO 0.07 0.39 -0.19 -0.07 0.02 0.00 0.00 177.57 177.78 3dfp h LEU 209 N -0.31 0.00 -0.34 2.57 3.38 -1.33 -0.93 115.31 118.34 3dfp h LEU 209 Ca 0.00 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 3dfp h LEU 209 Cb 0.69 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 3dfp h LEU 209 CO 0.03 0.19 -0.10 0.00 0.09 0.00 0.00 178.44 178.65 3dfp h ALA 210 N 1.81 0.47 -0.43 1.53 0.00 -1.45 -2.17 119.26 119.01 3dfp h ALA 210 Ca -0.00 -0.31 -0.11 0.00 0.00 0.00 0.00 54.91 54.49 3dfp h ALA 210 Cb 0.36 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 3dfp h ALA 210 CO 0.03 0.33 -0.18 0.00 0.00 0.00 0.00 179.25 179.43 3dfp h ALA 211 N 0.80 0.87 0.01 0.00 0.00 -1.24 -2.46 119.26 117.24 3dfp h ALA 211 Ca 0.08 -0.36 -0.00 0.00 0.00 0.00 0.00 54.91 54.63 3dfp h ALA 211 Cb 0.61 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.24 3dfp h ALA 211 CO 0.04 0.63 -0.01 0.28 0.00 0.00 0.00 179.25 180.20 3dfp h VAL 212 N 0.73 1.04 0.00 0.00 2.07 -1.04 -1.71 116.25 117.34 3dfp h VAL 212 Ca 0.11 -0.15 -0.05 0.00 0.82 0.00 0.00 66.70 67.43 3dfp h VAL 212 Cb 0.70 1.14 -0.01 0.00 -1.52 0.00 0.00 31.29 31.60 3dfp h VAL 212 CO 0.05 0.04 -0.25 1.88 0.02 0.00 0.00 177.57 179.31 3dfp h TYR 213 N -0.08 0.00 -0.15 1.57 0.05 -1.38 -1.22 116.97 115.75 3dfp h TYR 213 Ca -0.00 0.00 -0.17 0.00 0.05 0.00 0.00 58.73 58.61 3dfp h TYR 213 Cb 0.08 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 37.81 3dfp h TYR 213 CO -0.06 0.25 -0.62 -0.22 -1.05 0.00 0.00 178.16 176.46 3dfp h LYS 214 N 0.00 0.54 -0.36 4.88 1.63 -1.23 -2.20 116.57 119.82 3dfp h LYS 214 Ca -0.00 -0.37 -0.11 0.00 -0.85 0.00 0.00 60.65 59.31 3dfp h LYS 214 Cb 0.72 0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 32.40 3dfp h LYS 214 CO 0.03 0.99 -0.20 0.00 -3.45 0.00 0.00 179.45 176.82 3dfp h ALA 215 N 0.92 0.51 -0.58 5.00 0.00 -0.92 -1.79 119.26 122.42 3dfp h ALA 215 Ca -0.01 -0.37 -0.02 0.00 0.00 0.00 0.00 54.91 54.51 3dfp h ALA 215 Cb 1.18 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.82 3dfp h ALA 215 CO 0.11 0.47 0.26 -0.07 0.00 0.00 0.00 179.25 180.03 3dfp h LEU 216 N 0.57 0.74 -0.31 0.00 3.38 -1.17 -1.89 115.31 116.63 3dfp h LEU 216 Ca 0.08 -0.08 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 3dfp h LEU 216 Cb 0.76 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 3dfp h LEU 216 CO 0.06 0.64 0.04 -1.28 0.09 0.00 0.00 178.44 177.99 3dfp h SER 217 N 0.81 0.50 -0.33 -0.43 0.87 -1.21 -0.26 113.55 113.50 3dfp h SER 217 Ca 0.20 -0.27 -0.01 0.00 -1.23 0.00 0.00 61.79 60.48 3dfp h SER 217 Cb 0.11 -0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 61.92 3dfp h SER 217 CO -0.02 0.64 0.20 0.44 -0.53 0.00 0.00 176.83 177.55 3dfp h ASP 218 N 0.33 0.42 -0.44 6.23 3.32 -0.87 -1.98 116.42 123.44 3dfp h ASP 218 Ca 0.09 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.12 3dfp h ASP 218 Cb 0.37 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.81 3dfp h ASP 218 CO 0.01 0.34 0.00 1.41 -1.72 0.00 0.00 179.24 179.28 3dfp n HIS 219 N -4.45 0.80 -3.68 4.55 8.25 -0.75 -4.95 115.22 115.00 3dfp n HIS 219 Ca 0.02 -0.35 -0.24 0.00 -0.26 0.00 0.00 57.72 56.89 3dfp n HIS 219 Cb 0.09 -0.09 0.06 0.00 1.12 0.00 0.00 29.99 31.17 3dfp n HIS 219 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 3dfp n HIS 220 N 0.74 -2.52 -2.72 4.41 -0.00 -0.74 -4.90 115.22 109.49 3dfp n HIS 220 Ca 0.16 0.96 -0.41 0.00 -0.00 0.00 0.00 57.72 58.43 3dfp n HIS 220 Cb 0.51 -4.68 -0.04 0.00 -0.00 0.00 0.00 29.99 25.78 3dfp n HIS 220 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.34 176.76 3dfp s ILE 221 N -3.36 4.52 -0.92 1.59 -1.09 -0.14 -4.94 121.20 116.87 3dfp s ILE 221 Ca 0.46 2.07 -0.23 0.00 -2.23 0.00 0.00 60.65 60.72 3dfp s ILE 221 Cb -0.21 -4.32 0.07 0.00 -1.58 0.00 0.00 42.46 36.41 3dfp s ILE 221 CO 0.77 0.31 1.30 -0.47 -1.23 0.00 0.00 174.94 175.62 3dfp s TYR 222 N 0.07 2.63 0.33 3.97 5.04 -1.26 -4.82 117.35 123.31 3dfp s TYR 222 Ca 0.47 -0.80 0.08 0.00 -2.44 0.00 0.00 57.07 54.38 3dfp s TYR 222 Cb -0.23 -4.56 0.78 0.00 0.35 0.00 0.00 41.96 38.30 3dfp s TYR 222 CO 0.30 -1.84 1.81 -0.07 -1.34 0.00 0.00 175.55 174.41 3dfp h LEU 223 N 12.17 0.73 -2.24 6.97 3.38 -1.94 0.25 115.31 134.62 3dfp h LEU 223 Ca 0.06 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 3dfp h LEU 223 Cb 1.03 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.71 3dfp h LEU 223 CO 1.31 0.30 -0.06 -0.33 0.09 0.00 0.00 178.44 179.76 3dfp h GLU 224 N 0.73 0.00 -1.02 1.13 3.07 -1.91 -2.07 114.58 114.52 3dfp h GLU 224 Ca 0.53 0.00 -0.55 0.00 -0.50 0.00 0.00 59.36 58.84 3dfp h GLU 224 Cb 0.86 0.00 -0.29 0.00 -0.84 0.00 0.00 28.75 28.48 3dfp h GLU 224 CO -0.30 0.06 0.70 0.41 -1.40 0.00 0.00 179.01 178.48 3dfp n GLY 225 N -0.91 4.87 3.28 -3.84 0.00 0.08 -4.43 105.19 104.23 3dfp n GLY 225 Ca -0.02 -1.47 -0.11 0.00 0.00 0.00 0.00 46.02 44.42 3dfp n GLY 225 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3dfp s THR 226 N -3.67 0.01 0.07 2.61 -4.23 -0.78 -4.13 115.64 105.51 3dfp s THR 226 Ca 0.57 -1.87 0.01 0.00 -1.18 0.00 0.00 61.69 59.22 3dfp s THR 226 Cb 0.46 -2.41 -0.04 0.00 1.34 0.00 0.00 72.50 71.86 3dfp s THR 226 CO 0.06 -0.03 -0.05 -0.76 -0.54 0.00 0.00 174.62 173.30 3dfp s LEU 227 N -3.12 2.44 -0.08 4.79 1.43 -1.12 -3.71 118.68 119.31 3dfp s LEU 227 Ca 0.35 -0.89 0.03 0.00 -1.03 0.00 0.00 54.13 52.59 3dfp s LEU 227 Cb 0.05 0.03 -0.02 0.00 0.03 0.00 0.00 46.19 46.29 3dfp s LEU 227 CO 0.11 -0.46 -0.17 -0.22 0.23 0.00 0.00 176.35 175.83 3dfp s LEU 228 N -2.64 2.51 -0.65 1.79 2.96 -0.52 -1.47 118.68 120.66 3dfp s LEU 228 Ca 0.04 -0.35 0.05 0.00 -0.22 0.00 0.00 54.13 53.65 3dfp s LEU 228 Cb 0.03 -1.52 0.16 0.00 0.50 0.00 0.00 46.19 45.36 3dfp s LEU 228 CO -0.06 0.25 0.44 -0.75 -1.32 0.00 0.00 176.35 174.91 3dfp s LYS 229 N -0.14 2.26 0.54 1.98 2.20 0.04 -0.28 119.74 126.34 3dfp s LYS 229 Ca -0.02 -3.13 0.06 0.00 -0.36 0.00 0.00 55.97 52.51 3dfp s LYS 229 Cb -0.14 -3.25 0.05 0.00 -1.51 0.00 0.00 37.83 32.98 3dfp s LYS 229 CO 0.04 -1.26 0.74 -1.25 -0.36 0.00 0.00 175.35 173.26 3dfp s PRO 230 N -1.14 2.44 0.31 4.03 0.04 -1.26 -3.81 135.00 135.61 3dfp s PRO 230 Ca 0.24 -1.22 -0.12 0.00 0.04 0.00 0.00 61.00 59.94 3dfp s PRO 230 Cb -0.08 -2.60 -0.08 0.00 0.04 0.00 0.00 34.50 31.79 3dfp s PRO 230 CO -0.14 -0.72 0.67 0.54 0.04 0.00 0.00 177.00 177.40 3dfp s ASN 231 N -4.51 6.67 0.84 6.66 4.22 -1.26 -2.58 114.94 124.97 3dfp s ASN 231 Ca 0.59 1.12 -0.11 0.00 -2.14 0.00 0.00 52.86 52.31 3dfp s ASN 231 Cb -0.08 -2.31 0.10 0.00 1.28 0.00 0.00 41.25 40.24 3dfp s ASN 231 CO 0.38 -0.20 1.09 -0.04 -2.04 0.00 0.00 177.10 176.29 3dfp s MET 232 N -3.10 1.71 -0.41 3.55 -1.94 -1.26 -4.96 119.30 112.89 3dfp s MET 232 Ca 0.51 0.85 -0.19 0.00 -1.71 0.00 0.00 55.69 55.16 3dfp s MET 232 Cb -0.11 -1.86 0.02 0.00 2.01 0.00 0.00 34.83 34.89 3dfp s MET 232 CO 0.21 -1.94 0.53 0.08 -0.01 0.00 0.00 175.02 173.90 3dfp s VAL 233 N -2.98 4.97 0.15 -6.03 1.01 -1.26 -5.03 120.40 111.23 3dfp s VAL 233 Ca 0.62 -0.01 -0.03 0.00 0.00 0.00 0.00 61.98 62.56 3dfp s VAL 233 Cb -0.17 -4.08 -0.03 0.00 0.00 0.00 0.00 36.38 32.10 3dfp s VAL 233 CO 0.56 -0.44 0.13 0.42 0.00 0.00 0.00 175.10 175.77 3dfp s THR 234 N 2.46 0.08 0.87 3.92 -4.23 -1.26 -4.58 115.64 112.90 3dfp s THR 234 Ca 0.18 -1.79 -0.12 0.00 -1.18 0.00 0.00 61.69 58.78 3dfp s THR 234 Cb -0.16 -2.06 0.11 0.00 1.34 0.00 0.00 72.50 71.74 3dfp s THR 234 CO 0.16 -0.35 1.11 -2.16 -0.54 0.00 0.00 174.62 172.83 3dfp s PRO 235 N -4.04 1.46 0.83 3.99 0.04 -1.26 -4.60 135.00 131.40 3dfp s PRO 235 Ca 0.24 0.52 -0.11 0.00 0.04 0.00 0.00 61.00 61.69 3dfp s PRO 235 Cb 0.06 -1.86 0.09 0.00 0.04 0.00 0.00 34.50 32.83 3dfp s PRO 235 CO 0.03 -2.03 1.10 0.20 0.04 0.00 0.00 177.00 176.34 3dfp s GLY 236 N -3.85 1.67 0.42 0.56 0.00 0.11 -4.92 107.32 101.31 3dfp s GLY 236 Ca 0.63 0.30 0.09 0.00 0.00 0.00 0.00 44.72 45.73 3dfp s GLY 236 CO 0.55 0.68 2.04 0.45 0.00 0.00 0.00 173.10 176.81 3dfp h HIS 237 N -1.37 0.39 -0.51 1.90 3.86 -0.24 -2.21 115.15 116.96 3dfp h HIS 237 Ca -0.44 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.76 3dfp h HIS 237 Cb 1.25 -0.13 0.00 0.00 1.06 0.00 0.00 27.41 29.59 3dfp h HIS 237 CO 0.54 0.30 0.00 0.00 0.86 0.00 0.00 177.93 179.62 3dfp n ALA 238 N -2.49 2.78 -2.24 2.45 0.00 0.89 -4.94 120.51 116.96 3dfp n ALA 238 Ca 0.01 -1.11 -0.42 0.00 0.00 0.00 0.00 53.44 51.92 3dfp n ALA 238 Cb 0.11 -1.00 -0.03 0.00 0.00 0.00 0.00 19.45 18.53 3dfp n ALA 238 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3dfp h THR 240 N 4.75 1.26 -3.93 0.00 1.35 -1.90 -3.45 112.91 110.98 3dfp h THR 240 Ca -0.39 -2.09 -0.49 0.00 -0.55 0.00 0.00 66.41 62.89 3dfp h THR 240 Cb 1.19 2.18 0.02 0.00 -1.73 0.00 0.00 68.15 69.81 3dfp h THR 240 CO 0.89 0.57 0.43 -1.58 -0.25 0.00 0.00 175.52 175.57 3dfp s GLN 241 N -3.45 4.24 0.05 4.72 0.74 -1.26 -5.05 119.66 119.66 3dfp s GLN 241 Ca -0.00 1.58 0.02 0.00 0.05 0.00 0.00 55.36 57.01 3dfp s GLN 241 Cb 0.11 -2.67 -0.04 0.00 1.10 0.00 0.00 33.01 31.52 3dfp s GLN 241 CO 0.74 -0.08 0.08 0.15 -0.55 0.00 0.00 175.29 175.63 3dfp s LYS 242 N -2.29 2.95 0.06 1.67 -0.14 -1.26 -5.04 119.74 115.68 3dfp s LYS 242 Ca 0.55 -0.63 0.02 0.00 -1.36 0.00 0.00 55.97 54.56 3dfp s LYS 242 Cb -0.24 -2.77 -0.03 0.00 -1.68 0.00 0.00 37.83 33.11 3dfp s LYS 242 CO 0.30 0.59 -0.07 0.71 -0.76 0.00 0.00 175.35 176.13 3dfp s TYR 243 N -1.33 0.71 0.59 3.18 2.02 -1.26 -5.15 117.35 116.12 3dfp s TYR 243 Ca 0.27 -0.66 -0.03 0.00 -0.37 0.00 0.00 57.07 56.28 3dfp s TYR 243 Cb -0.12 -0.43 0.03 0.00 -0.40 0.00 0.00 41.96 41.04 3dfp s TYR 243 CO 0.20 -0.12 0.86 -1.54 -1.57 0.00 0.00 175.55 173.38 3dfp s SER 244 N -2.10 5.29 0.36 2.29 1.04 -1.26 -4.97 113.70 114.34 3dfp s SER 244 Ca -0.03 0.35 0.12 0.00 0.48 0.00 0.00 55.95 56.88 3dfp s SER 244 Cb -0.04 -1.24 0.67 0.00 0.10 0.00 0.00 66.02 65.51 3dfp s SER 244 CO -0.02 -1.20 1.80 0.45 0.98 0.00 0.00 173.24 175.26 3dfp h HIS 245 N -0.15 0.03 -0.41 5.02 3.86 -1.99 -2.41 115.15 119.09 3dfp h HIS 245 Ca -0.44 -0.01 -0.08 0.00 -1.16 0.00 0.00 60.37 58.68 3dfp h HIS 245 Cb 1.29 -0.01 -0.02 0.00 1.06 0.00 0.00 27.41 29.73 3dfp h HIS 245 CO 0.40 0.41 -0.07 0.93 0.86 0.00 0.00 177.93 180.45 3dfp h GLU 246 N 0.02 0.71 -0.09 2.45 3.07 -1.94 -0.34 114.58 118.46 3dfp h GLU 246 Ca -0.00 -0.21 -0.18 0.00 -0.50 0.00 0.00 59.36 58.48 3dfp h GLU 246 Cb 0.69 -0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 28.53 3dfp h GLU 246 CO 0.05 0.77 -0.69 0.93 -1.40 0.00 0.00 179.01 178.67 3dfp h GLU 247 N 0.65 0.40 -0.45 2.33 5.08 -1.85 -1.51 114.58 119.23 3dfp h GLU 247 Ca 0.12 -0.31 -0.11 0.00 -1.00 0.00 0.00 59.36 58.06 3dfp h GLU 247 Cb 0.51 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.81 3dfp h GLU 247 CO 0.03 0.94 -0.14 0.82 -1.00 0.00 0.00 179.01 179.66 3dfp h ILE 248 N 0.28 1.27 -0.47 3.13 2.04 -1.16 -1.99 117.51 120.62 3dfp h ILE 248 Ca -0.02 -1.27 -0.05 0.00 1.00 0.00 0.00 64.86 64.51 3dfp h ILE 248 Cb 1.25 1.16 -0.02 0.00 -0.74 0.00 0.00 36.82 38.48 3dfp h ILE 248 CO 0.12 0.43 0.09 0.00 0.00 0.00 0.00 178.15 178.79 3dfp h ALA 249 N 0.86 0.62 -0.41 1.87 0.00 -0.97 -1.51 119.26 119.71 3dfp h ALA 249 Ca 0.11 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 3dfp h ALA 249 Cb 0.69 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 3dfp h ALA 249 CO 0.05 0.33 0.14 1.98 0.00 0.00 0.00 179.25 181.75 3dfp h MET 250 N 0.64 0.63 -0.28 0.00 1.85 -1.22 -0.33 114.93 116.22 3dfp h MET 250 Ca 0.14 -0.13 -0.08 0.00 -0.61 0.00 0.00 59.70 59.02 3dfp h MET 250 Cb 0.36 -0.10 -0.01 0.00 0.43 0.00 0.00 31.60 32.28 3dfp h MET 250 CO 0.01 0.61 -0.19 0.00 -0.40 0.00 0.00 176.91 176.93 3dfp h ALA 251 N 0.99 1.16 -0.00 0.39 0.00 -1.29 -0.34 119.26 120.17 3dfp h ALA 251 Ca 0.13 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 3dfp h ALA 251 Cb 0.23 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 3dfp h ALA 251 CO -0.01 0.53 -0.00 1.15 0.00 0.00 0.00 179.25 180.92 3dfp h THR 252 N 0.45 1.41 -0.12 0.00 2.02 -1.04 -2.36 112.91 113.27 3dfp h THR 252 Ca 0.07 -1.21 -0.11 0.00 0.77 0.00 0.00 66.41 65.94 3dfp h THR 252 Cb 0.58 2.23 -0.01 0.00 -1.74 0.00 0.00 68.15 69.22 3dfp h THR 252 CO 0.04 0.31 -0.41 0.58 0.37 0.00 0.00 175.52 176.42 3dfp h VAL 253 N -0.51 1.31 -0.25 3.16 2.07 -1.03 -2.39 116.25 118.60 3dfp h VAL 253 Ca 0.00 -1.52 -0.04 0.00 0.82 0.00 0.00 66.70 65.96 3dfp h VAL 253 Cb 0.52 1.67 -0.01 0.00 -1.52 0.00 0.00 31.29 31.94 3dfp h VAL 253 CO 0.00 0.46 0.00 0.74 0.02 0.00 0.00 177.57 178.79 3dfp h THR 254 N 0.23 1.25 -0.90 2.57 2.02 -1.09 -0.95 112.91 116.05 3dfp h THR 254 Ca 0.02 -0.90 -0.02 0.00 0.77 0.00 0.00 66.41 66.29 3dfp h THR 254 Cb 0.82 1.35 -0.04 0.00 -1.74 0.00 0.00 68.15 68.53 3dfp h THR 254 CO 0.06 0.28 0.50 0.00 0.37 0.00 0.00 175.52 176.74 3dfp h ALA 255 N 0.82 1.19 -0.28 6.16 0.00 -1.31 -2.52 119.26 123.31 3dfp h ALA 255 Ca 0.07 -0.13 -0.12 0.00 0.00 0.00 0.00 54.91 54.74 3dfp h ALA 255 Cb 0.41 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 3dfp h ALA 255 CO 0.01 0.66 -0.28 -0.07 0.00 0.00 0.00 179.25 179.57 3dfp h LEU 256 N 1.25 0.74 -2.01 0.00 3.38 -1.32 -3.08 115.31 114.27 3dfp h LEU 256 Ca 0.32 -0.47 -0.01 0.00 0.09 0.00 0.00 57.88 57.80 3dfp h LEU 256 Cb 0.02 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.56 3dfp h LEU 256 CO -0.05 1.06 -0.07 0.03 0.09 0.00 0.00 178.44 179.50 3dfp h ARG 257 N 0.42 0.00 -0.00 1.13 3.08 -0.99 0.12 114.38 118.14 3dfp h ARG 257 Ca 0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.09 3dfp h ARG 257 Cb 0.85 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.90 3dfp h ARG 257 CO 0.07 0.07 -0.27 0.54 -1.07 0.00 0.00 179.97 179.31 3dfp n ARG 258 N -4.16 0.32 0.00 0.04 1.74 -0.97 -4.58 116.66 109.06 3dfp n ARG 258 Ca -0.03 -0.15 0.00 0.00 -0.77 0.00 0.00 57.85 56.90 3dfp n ARG 258 Cb 0.15 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.10 3dfp n ARG 258 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 3dfp n THR 259 N -1.21 0.00 -3.09 0.55 -2.24 -0.83 -5.03 114.28 102.44 3dfp n THR 259 Ca 0.09 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.44 3dfp n THR 259 Cb 0.32 -0.21 -0.07 0.00 -2.10 0.00 0.00 70.33 68.27 3dfp n THR 259 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3dfp s VAL 260 N -1.18 4.81 0.39 2.28 1.01 0.35 -4.81 120.40 123.26 3dfp s VAL 260 Ca 0.00 0.17 -0.26 0.00 0.00 0.00 0.00 61.98 61.89 3dfp s VAL 260 Cb 0.00 -4.21 -0.11 0.00 0.00 0.00 0.00 36.38 32.06 3dfp s VAL 260 CO 0.00 -0.60 1.22 -2.65 0.00 0.00 0.00 175.10 173.07 3dfp n PRO 261 N 6.30 1.85 0.23 2.72 -0.02 -1.26 -4.84 135.00 139.98 3dfp n PRO 261 Ca -0.01 0.66 0.15 0.00 -2.02 0.00 0.00 63.50 62.28 3dfp n PRO 261 Cb 0.48 -2.28 0.81 0.00 -0.02 0.00 0.00 33.50 32.49 3dfp n PRO 261 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 3dfp h PRO 262 N 2.11 0.00 0.00 0.52 0.13 -1.96 -1.70 132.00 131.10 3dfp h PRO 262 Ca -0.46 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.64 3dfp h PRO 262 Cb 1.30 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.43 3dfp h PRO 262 CO 0.60 0.00 -0.11 0.00 -0.23 0.00 0.00 178.00 178.26 3dfp h ALA 263 N 2.01 1.18 -2.54 -0.56 0.00 -1.91 -3.43 119.26 114.01 3dfp h ALA 263 Ca 0.00 -0.10 -0.53 0.00 0.00 0.00 0.00 54.91 54.28 3dfp h ALA 263 Cb 0.01 -0.02 0.04 0.00 0.00 0.00 0.00 17.79 17.82 3dfp h ALA 263 CO 0.00 0.14 0.99 0.08 0.00 0.00 0.00 179.25 180.46 3dfp s VAL 264 N -4.03 2.66 0.33 0.00 1.01 -0.64 -3.53 120.40 116.19 3dfp s VAL 264 Ca -0.02 0.31 0.04 0.00 0.00 0.00 0.00 61.98 62.31 3dfp s VAL 264 Cb 0.12 -3.20 0.15 0.00 0.00 0.00 0.00 36.38 33.45 3dfp s VAL 264 CO 0.57 0.01 1.86 0.74 0.00 0.00 0.00 175.10 178.28 3dfp h THR 265 N 4.41 1.20 -2.00 3.92 2.02 -1.68 -3.44 112.91 117.35 3dfp h THR 265 Ca -0.43 -0.83 0.18 0.00 0.77 0.00 0.00 66.41 66.10 3dfp h THR 265 Cb 1.21 0.97 -0.14 0.00 -1.74 0.00 0.00 68.15 68.44 3dfp h THR 265 CO 0.93 0.28 0.61 -0.83 0.37 0.00 0.00 175.52 176.89 3dfp s GLY 266 N -3.85 -0.37 -0.18 2.16 0.00 -1.26 -3.67 107.32 100.14 3dfp s GLY 266 Ca -0.08 0.94 0.01 0.00 0.00 0.00 0.00 44.72 45.59 3dfp s GLY 266 CO 0.77 0.29 -0.14 0.14 0.00 0.00 0.00 173.10 174.16 3dfp s VAL 267 N -2.90 1.76 -0.40 1.40 1.01 0.68 -1.43 120.40 120.52 3dfp s VAL 267 Ca 0.09 -0.88 -0.03 0.00 0.00 0.00 0.00 61.98 61.16 3dfp s VAL 267 Cb -0.00 -1.69 0.10 0.00 0.00 0.00 0.00 36.38 34.78 3dfp s VAL 267 CO -0.05 0.37 0.18 0.42 0.00 0.00 0.00 175.10 176.03 3dfp s THR 268 N 1.39 3.30 0.52 3.92 -4.23 0.62 -0.98 115.64 120.17 3dfp s THR 268 Ca 0.02 -1.95 -0.21 0.00 -1.18 0.00 0.00 61.69 58.37 3dfp s THR 268 Cb -0.14 -3.21 -0.06 0.00 1.34 0.00 0.00 72.50 70.42 3dfp s THR 268 CO -0.10 -0.62 1.20 -0.36 -0.54 0.00 0.00 174.62 174.19 3dfp s PHE 269 N 1.17 2.65 0.09 3.99 0.08 -0.83 -4.13 117.98 120.99 3dfp s PHE 269 Ca 0.07 1.51 -0.07 0.00 0.12 0.00 0.00 56.93 58.55 3dfp s PHE 269 Cb -0.22 -3.45 -0.05 0.00 -0.57 0.00 0.00 43.02 38.72 3dfp s PHE 269 CO -0.04 -1.88 0.36 -0.48 -0.10 0.00 0.00 175.22 173.09 3dfp s LEU 270 N -3.46 4.32 0.41 -0.37 0.05 -1.07 -1.79 118.68 116.77 3dfp s LEU 270 Ca 0.69 0.66 0.22 0.00 0.05 0.00 0.00 54.13 55.75 3dfp s LEU 270 Cb -0.30 -3.06 0.74 0.00 -2.05 0.00 0.00 46.19 41.53 3dfp s LEU 270 CO 0.35 0.14 1.75 0.77 -0.55 0.00 0.00 176.35 178.80 3dfp h SER 271 N 3.39 0.00 -6.65 1.48 4.64 -1.92 -3.39 113.55 111.09 3dfp h SER 271 Ca -0.48 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.31 3dfp h SER 271 Cb 1.18 0.00 -0.16 0.00 -0.31 0.00 0.00 62.40 63.11 3dfp h SER 271 CO 0.69 0.27 -0.83 0.61 -0.87 0.00 0.00 176.83 176.70 3dfp n GLY 272 N 0.38 -0.43 1.74 -0.77 0.00 -1.26 -1.46 105.19 103.39 3dfp n GLY 272 Ca 0.01 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.17 3dfp n GLY 272 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dfp n GLY 273 N -1.51 0.75 3.82 -0.02 0.00 -1.26 -4.87 105.19 102.10 3dfp n GLY 273 Ca 0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.73 3dfp n GLY 273 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3dfp s GLN 274 N -0.31 3.21 0.75 1.61 -0.21 -0.54 -5.03 119.66 119.14 3dfp s GLN 274 Ca 0.00 1.01 -0.11 0.00 0.02 0.00 0.00 55.36 56.28 3dfp s GLN 274 Cb 0.00 -2.03 0.04 0.00 1.00 0.00 0.00 33.01 32.02 3dfp s GLN 274 CO 0.00 -0.88 1.08 -1.54 -2.12 0.00 0.00 175.29 171.82 3dfp s SER 275 N -3.45 4.89 0.18 5.90 1.04 -1.26 -4.74 113.70 116.27 3dfp s SER 275 Ca 0.60 1.59 -0.14 0.00 0.48 0.00 0.00 55.95 58.47 3dfp s SER 275 Cb -0.14 -2.39 0.17 0.00 0.10 0.00 0.00 66.02 63.76 3dfp s SER 275 CO 0.47 -1.75 1.68 -0.33 0.98 0.00 0.00 173.24 174.29 3dfp h GLU 276 N -0.93 0.09 -0.24 4.02 5.08 -1.88 -0.62 114.58 120.09 3dfp h GLU 276 Ca -0.45 -0.01 -0.16 0.00 -1.00 0.00 0.00 59.36 57.75 3dfp h GLU 276 Cb 1.23 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.46 3dfp h GLU 276 CO 0.56 0.06 -0.49 1.49 -1.00 0.00 0.00 179.01 179.62 3dfp h GLU 277 N 0.09 0.66 -0.04 2.33 4.57 -1.92 -2.99 114.58 117.29 3dfp h GLU 277 Ca 0.24 -0.39 -0.00 0.00 -1.18 0.00 0.00 59.36 58.03 3dfp h GLU 277 Cb 0.36 0.03 -0.00 0.00 -0.16 0.00 0.00 28.75 28.98 3dfp h GLU 277 CO -0.42 1.00 0.02 1.49 -1.18 0.00 0.00 179.01 179.92 3dfp h GLU 278 N 0.52 0.05 -0.21 1.92 4.81 -1.75 -1.00 114.58 118.92 3dfp h GLU 278 Ca 0.02 -0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.26 3dfp h GLU 278 Cb 1.04 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.40 3dfp h GLU 278 CO 0.10 0.10 0.14 0.00 -0.73 0.00 0.00 179.01 178.62 3dfp h ALA 279 N 0.95 1.90 -0.02 2.92 0.00 -1.16 -0.88 119.26 122.96 3dfp h ALA 279 Ca 0.01 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.76 3dfp h ALA 279 Cb 0.06 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 17.79 3dfp h ALA 279 CO -0.00 0.08 -0.56 0.77 0.00 0.00 0.00 179.25 179.54 3dfp h SER 280 N 0.25 0.53 -0.62 0.00 0.02 -1.31 -2.43 113.55 109.97 3dfp h SER 280 Ca 0.08 -0.73 -0.04 0.00 -0.84 0.00 0.00 61.79 60.27 3dfp h SER 280 Cb 0.03 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 62.39 3dfp h SER 280 CO -0.02 1.19 0.25 0.40 -1.14 0.00 0.00 176.83 177.51 3dfp h ILE 281 N -0.08 1.23 -0.43 3.27 2.04 -0.78 -1.49 117.51 121.27 3dfp h ILE 281 Ca -0.06 -0.73 -0.14 0.00 1.00 0.00 0.00 64.86 64.93 3dfp h ILE 281 Cb 1.25 0.54 -0.01 0.00 -0.74 0.00 0.00 36.82 37.87 3dfp h ILE 281 CO 0.11 0.29 -0.26 0.78 0.00 0.00 0.00 178.15 179.07 3dfp h ASN 282 N 0.87 0.97 -0.46 1.72 2.35 -1.26 -0.77 115.58 119.01 3dfp h ASN 282 Ca 0.21 -0.42 -0.04 0.00 -0.55 0.00 0.00 56.30 55.50 3dfp h ASN 282 Cb 0.20 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.28 3dfp h ASN 282 CO -0.02 1.18 0.16 0.25 -1.65 0.00 0.00 177.43 177.35 3dfp h LEU 283 N 0.77 0.71 -0.24 1.61 5.85 -1.31 0.80 115.31 123.49 3dfp h LEU 283 Ca 0.09 -0.11 -0.06 0.00 0.84 0.00 0.00 57.88 58.64 3dfp h LEU 283 Cb 0.84 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.68 3dfp h LEU 283 CO 0.07 0.68 -0.10 -1.13 -0.34 0.00 0.00 178.44 177.62 3dfp h ASN 284 N 0.75 0.50 -0.77 1.25 -1.24 -1.05 -2.47 115.58 112.55 3dfp h ASN 284 Ca 0.17 -0.40 -0.02 0.00 0.71 0.00 0.00 56.30 56.77 3dfp h ASN 284 Cb 0.23 -0.14 -0.04 0.00 0.73 0.00 0.00 38.32 39.10 3dfp h ASN 284 CO -0.01 0.79 0.42 0.00 -1.29 0.00 0.00 177.43 177.34 3dfp h ALA 285 N 0.73 1.26 -0.80 1.57 0.00 -0.66 -1.75 119.26 119.61 3dfp h ALA 285 Ca 0.06 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 3dfp h ALA 285 Cb 0.59 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 3dfp h ALA 285 CO 0.03 0.59 0.43 0.82 0.00 0.00 0.00 179.25 181.13 3dfp h ILE 286 N 1.10 1.24 0.00 0.00 2.04 -0.73 -1.79 117.51 119.37 3dfp h ILE 286 Ca 0.28 -0.60 0.00 0.00 1.00 0.00 0.00 64.86 65.54 3dfp h ILE 286 Cb 0.05 0.16 0.00 0.00 -0.74 0.00 0.00 36.82 36.29 3dfp h ILE 286 CO -0.04 0.27 0.00 0.78 0.00 0.00 0.00 178.15 179.15 3dfp h ASN 287 N 1.12 0.00 0.27 1.72 2.35 -0.88 -3.04 115.58 117.12 3dfp h ASN 287 Ca 0.28 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.03 3dfp h ASN 287 Cb 0.04 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.41 3dfp h ASN 287 CO -0.04 0.00 -0.55 0.29 -1.65 0.00 0.00 177.43 175.48 3dfp n LYS 288 N -3.06 0.34 -1.65 0.81 5.02 -0.74 -4.79 118.16 114.10 3dfp n LYS 288 Ca 0.02 -0.23 -0.50 0.00 -2.02 0.00 0.00 58.31 55.58 3dfp n LYS 288 Cb 0.42 -1.50 -0.05 0.00 -0.02 0.00 0.00 35.03 33.88 3dfp n LYS 288 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3dfp n PRO 290 N 3.80 1.51 -4.11 0.00 -0.04 -1.26 -4.80 135.00 130.10 3dfp n PRO 290 Ca 0.20 -0.81 -0.12 0.00 -0.04 0.00 0.00 63.50 62.72 3dfp n PRO 290 Cb 0.23 -1.94 -0.11 0.00 -0.04 0.00 0.00 33.50 31.64 3dfp n PRO 290 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3dfp s LEU 291 N 0.02 2.38 -0.02 1.53 1.43 -1.26 -5.12 118.68 117.63 3dfp s LEU 291 Ca 0.45 -0.77 -0.30 0.00 -1.03 0.00 0.00 54.13 52.48 3dfp s LEU 291 Cb 0.20 -0.12 -0.05 0.00 0.03 0.00 0.00 46.19 46.25 3dfp s LEU 291 CO -0.01 -0.33 1.34 -0.22 0.23 0.00 0.00 176.35 177.36 3dfp s LEU 292 N -2.29 4.30 -0.35 1.79 2.96 -1.26 -5.00 118.68 118.83 3dfp s LEU 292 Ca 0.01 2.01 0.03 0.00 -0.22 0.00 0.00 54.13 55.96 3dfp s LEU 292 Cb -0.03 -3.56 0.10 0.00 0.50 0.00 0.00 46.19 43.21 3dfp s LEU 292 CO -0.02 -0.68 0.08 -0.54 -1.32 0.00 0.00 176.35 173.87 3dfp s LYS 293 N 2.38 1.39 0.00 1.98 1.02 -1.26 -4.98 119.74 120.27 3dfp s LYS 293 Ca 0.61 -1.81 0.09 0.00 0.02 0.00 0.00 55.97 54.88 3dfp s LYS 293 Cb -0.29 -2.99 0.54 0.00 -0.52 0.00 0.00 37.83 34.57 3dfp s LYS 293 CO 0.25 -0.97 1.01 -0.35 -0.92 0.00 0.00 175.35 174.37 3dfp n PRO 294 N 4.24 0.54 -4.12 -1.68 -0.04 -1.26 -4.77 135.00 127.91 3dfp n PRO 294 Ca 0.03 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.38 3dfp n PRO 294 Cb 0.41 -1.26 -0.11 0.00 -0.04 0.00 0.00 33.50 32.50 3dfp n PRO 294 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 3dfp s TRP 295 N -2.00 0.78 0.28 0.54 0.51 -1.26 -4.91 118.94 112.87 3dfp s TRP 295 Ca 0.14 -0.74 -0.29 0.00 -2.12 0.00 0.00 56.10 53.08 3dfp s TRP 295 Cb 0.06 -0.46 -0.10 0.00 -0.81 0.00 0.00 33.47 32.16 3dfp s TRP 295 CO 0.10 -0.13 1.38 0.00 -0.51 0.00 0.00 176.95 177.79 3dfp s ALA 296 N -2.68 3.57 -0.40 0.98 0.00 -1.24 -4.85 121.76 117.13 3dfp s ALA 296 Ca 0.02 1.29 0.04 0.00 0.00 0.00 0.00 51.96 53.31 3dfp s ALA 296 Cb -0.01 -3.52 0.11 0.00 0.00 0.00 0.00 23.12 19.70 3dfp s ALA 296 CO -0.03 -0.70 0.12 -0.51 0.00 0.00 0.00 175.76 174.65 3dfp s LEU 297 N -0.93 4.58 0.00 0.00 1.43 -1.26 -0.23 118.68 122.27 3dfp s LEU 297 Ca 0.55 -2.45 0.00 0.00 -1.03 0.00 0.00 54.13 51.20 3dfp s LEU 297 Cb -0.41 -1.62 0.00 0.00 0.03 0.00 0.00 46.19 44.19 3dfp s LEU 297 CO 0.47 -0.33 0.00 1.07 0.23 0.00 0.00 176.35 177.79 3dfp n THR 298 N 3.86 0.00 -4.35 5.49 5.66 -0.15 -4.66 114.28 120.13 3dfp n THR 298 Ca 0.04 0.00 -0.24 0.00 -3.05 0.00 0.00 64.05 60.80 3dfp n THR 298 Cb 0.39 0.00 -0.08 0.00 -1.55 0.00 0.00 70.33 69.08 3dfp n THR 298 CO 0.00 0.00 0.00 0.72 -3.05 0.00 0.00 175.07 172.74 3dfp s PHE 299 N 0.48 2.54 -0.46 1.09 -0.71 -1.26 -1.97 117.98 117.69 3dfp s PHE 299 Ca 0.00 -0.33 0.07 0.00 -1.04 0.00 0.00 56.93 55.63 3dfp s PHE 299 Cb 0.00 -1.26 0.23 0.00 -1.21 0.00 0.00 43.02 40.78 3dfp s PHE 299 CO 0.00 0.59 0.71 0.45 -1.34 0.00 0.00 175.22 175.63 3dfp n SER 300 N -0.85 -1.82 -4.91 1.98 2.88 -0.74 -0.40 113.62 109.77 3dfp n SER 300 Ca -0.05 -3.00 -0.31 0.00 -1.33 0.00 0.00 58.87 54.18 3dfp n SER 300 Cb 0.60 0.87 -0.04 0.00 -0.75 0.00 0.00 64.21 64.89 3dfp n SER 300 CO 0.00 0.00 0.00 -0.31 -1.23 0.00 0.00 175.04 173.50 3dfp s TYR 301 N 0.07 3.49 0.00 0.66 2.02 -1.02 -4.49 117.35 118.09 3dfp s TYR 301 Ca 0.33 0.42 0.00 0.00 -0.37 0.00 0.00 57.07 57.45 3dfp s TYR 301 Cb 0.17 -1.90 0.00 0.00 -0.40 0.00 0.00 41.96 39.83 3dfp s TYR 301 CO -0.18 0.47 0.00 0.41 -1.57 0.00 0.00 175.55 174.68 3dfp n GLY 302 N 0.02 0.11 0.26 0.71 0.00 -1.26 -0.94 105.19 104.09 3dfp n GLY 302 Ca -0.04 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.11 3dfp n GLY 302 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3dfp h ARG 303 N 0.00 0.00 0.00 1.61 3.08 -1.96 -1.80 114.38 115.31 3dfp h ARG 303 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3dfp h ARG 303 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 3dfp h ARG 303 CO 0.00 0.13 0.00 0.00 -1.07 0.00 0.00 179.97 179.03 3dfp n ALA 304 N -2.25 2.05 0.00 0.04 0.00 -1.26 -0.73 120.51 118.35 3dfp n ALA 304 Ca -0.01 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.33 3dfp n ALA 304 Cb 0.27 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.45 3dfp n ALA 304 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3dfp n LEU 305 N -1.12 0.00 -0.01 0.00 4.77 -0.74 -4.65 117.00 115.25 3dfp n LEU 305 Ca 0.11 0.00 0.08 0.00 -0.03 0.00 0.00 56.01 56.17 3dfp n LEU 305 Cb 0.09 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.06 3dfp n LEU 305 CO 0.11 0.00 -0.61 0.00 -1.33 0.00 0.00 177.39 175.56 3dfp n GLN 306 N -1.43 0.64 -0.08 3.23 6.02 -0.79 -4.59 117.38 120.38 3dfp n GLN 306 Ca 0.00 -0.13 -0.02 0.00 -0.01 0.00 0.00 57.00 56.84 3dfp n GLN 306 Cb 0.15 -1.35 -0.02 0.00 1.02 0.00 0.00 30.24 30.04 3dfp n GLN 306 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3dfp n ALA 307 N -1.97 -0.12 -0.09 -1.58 0.00 0.09 -0.81 120.51 116.03 3dfp n ALA 307 Ca -0.02 0.16 -0.06 0.00 0.00 0.00 0.00 53.44 53.52 3dfp n ALA 307 Cb 0.39 0.30 0.13 0.00 0.00 0.00 0.00 19.45 20.27 3dfp n ALA 307 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 3dfp h SER 308 N 0.00 0.75 -0.11 0.00 0.02 -1.86 -2.93 113.55 109.42 3dfp h SER 308 Ca 0.03 -0.22 0.00 0.00 -0.84 0.00 0.00 61.79 60.76 3dfp h SER 308 Cb 0.08 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.41 3dfp h SER 308 CO -0.18 0.88 0.06 0.00 -1.14 0.00 0.00 176.83 176.46 3dfp h ALA 309 N 1.19 0.14 -0.83 3.77 0.00 -1.59 0.19 119.26 122.13 3dfp h ALA 309 Ca 0.12 -0.00 0.04 0.00 0.00 0.00 0.00 54.91 55.07 3dfp h ALA 309 Cb 0.57 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.28 3dfp h ALA 309 CO 0.04 -0.38 0.52 1.25 0.00 0.00 0.00 179.25 180.68 3dfp h LEU 310 N 0.13 0.85 -0.30 0.00 5.85 -0.94 -0.43 115.31 120.47 3dfp h LEU 310 Ca 0.04 0.00 -0.15 0.00 0.84 0.00 0.00 57.88 58.62 3dfp h LEU 310 Cb -0.00 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 40.84 3dfp h LEU 310 CO -0.02 0.57 -0.38 0.50 -0.34 0.00 0.00 178.44 178.77 3dfp h LYS 311 N 1.00 0.80 -0.03 1.25 3.64 -1.28 -1.79 116.57 120.14 3dfp h LYS 311 Ca 0.34 -0.45 -0.05 0.00 -1.27 0.00 0.00 60.65 59.23 3dfp h LYS 311 Cb 0.07 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.91 3dfp h LYS 311 CO -0.14 1.08 -0.20 0.00 -2.27 0.00 0.00 179.45 177.93 3dfp h ALA 312 N 0.70 1.62 0.04 5.00 0.00 -0.18 -3.00 119.26 123.44 3dfp h ALA 312 Ca 0.04 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 3dfp h ALA 312 Cb 0.97 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.71 3dfp h ALA 312 CO 0.09 0.29 -0.02 2.35 0.00 0.00 0.00 179.25 181.96 3dfp h TRP 313 N 0.05 -0.05 0.00 0.00 7.01 -0.94 -3.41 115.95 118.61 3dfp h TRP 313 Ca 0.01 -0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.01 3dfp h TRP 313 Cb 0.38 0.02 0.00 0.00 -2.10 0.00 0.00 29.16 27.45 3dfp h TRP 313 CO 0.00 0.58 0.00 0.41 -2.79 0.00 0.00 178.44 176.64 3dfp n GLY 314 N 0.78 0.07 0.91 2.65 0.00 -0.69 -1.51 105.19 107.40 3dfp n GLY 314 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 3dfp n GLY 314 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dfp n GLY 315 N -1.33 0.76 3.35 -0.02 0.00 -1.26 -4.82 105.19 101.86 3dfp n GLY 315 Ca 0.00 -0.11 -0.35 0.00 0.00 0.00 0.00 46.02 45.56 3dfp n GLY 315 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dfp s LYS 316 N -0.63 3.44 0.54 1.61 1.02 -0.57 -5.00 119.74 120.16 3dfp s LYS 316 Ca 0.00 -0.60 0.26 0.00 0.02 0.00 0.00 55.97 55.66 3dfp s LYS 316 Cb 0.00 -3.04 1.43 0.00 -0.52 0.00 0.00 37.83 35.70 3dfp s LYS 316 CO 0.00 -0.15 1.98 -0.22 -0.92 0.00 0.00 175.35 176.04 3dfp h LYS 317 N 7.99 0.00 0.00 1.68 3.64 -1.97 0.58 116.57 128.48 3dfp h LYS 317 Ca -0.40 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.98 3dfp h LYS 317 Cb 1.17 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.99 3dfp h LYS 317 CO 0.60 0.00 0.00 0.39 -2.27 0.00 0.00 179.45 178.17 3dfp n GLU 318 N -4.28 0.08 -0.50 1.90 4.71 -1.26 -2.70 120.64 118.59 3dfp n GLU 318 Ca 0.10 0.33 0.10 0.00 -0.01 0.00 0.00 57.16 57.68 3dfp n GLU 318 Cb 0.63 -1.66 0.33 0.00 -1.01 0.00 0.00 31.44 29.73 3dfp n GLU 318 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 3dfp n ASN 319 N -1.82 4.36 0.06 1.62 3.02 0.20 -4.66 115.26 118.03 3dfp n ASN 319 Ca 0.03 -2.26 -0.12 0.00 -0.03 0.00 0.00 54.58 52.20 3dfp n ASN 319 Cb 0.20 -0.53 -0.05 0.00 -0.61 0.00 0.00 39.78 38.78 3dfp n ASN 319 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 3dfp h LEU 320 N 4.04 -1.03 -0.67 3.41 5.85 -1.64 -0.07 115.31 125.20 3dfp h LEU 320 Ca 0.00 0.13 0.03 0.00 0.84 0.00 0.00 57.88 58.88 3dfp h LEU 320 Cb 1.24 0.41 -0.04 0.00 0.37 0.00 0.00 40.66 42.64 3dfp h LEU 320 CO 0.13 -0.40 0.41 0.11 -0.34 0.00 0.00 178.44 178.35 3dfp h LYS 321 N -0.49 0.79 -0.54 1.25 1.79 -1.87 0.11 116.57 117.60 3dfp h LYS 321 Ca 0.06 -0.05 -0.08 0.00 -2.18 0.00 0.00 60.65 58.41 3dfp h LYS 321 Cb 0.58 -0.18 -0.02 0.00 -1.58 0.00 0.00 32.23 31.03 3dfp h LYS 321 CO -0.28 0.52 0.04 0.00 -1.08 0.00 0.00 179.45 178.65 3dfp h ALA 322 N 1.29 1.04 -0.30 3.86 0.00 -1.83 -1.51 119.26 121.80 3dfp h ALA 322 Ca 0.27 -0.27 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 3dfp h ALA 322 Cb 0.02 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 3dfp h ALA 322 CO -0.10 0.60 -0.19 0.00 0.00 0.00 0.00 179.25 179.56 3dfp h ALA 323 N 1.20 0.43 -0.35 0.00 0.00 -0.40 -2.98 119.26 117.14 3dfp h ALA 323 Ca 0.16 -0.35 -0.07 0.00 0.00 0.00 0.00 54.91 54.65 3dfp h ALA 323 Cb 0.45 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 3dfp h ALA 323 CO 0.02 0.37 -0.08 1.96 0.00 0.00 0.00 179.25 181.51 3dfp h GLN 324 N 0.42 0.60 -0.77 0.00 4.20 -0.63 -2.82 115.11 116.10 3dfp h GLN 324 Ca 0.06 -0.17 -0.03 0.00 0.06 0.00 0.00 58.65 58.58 3dfp h GLN 324 Cb 0.73 -0.07 -0.04 0.00 0.30 0.00 0.00 27.48 28.41 3dfp h GLN 324 CO 0.05 0.68 0.37 1.49 -0.67 0.00 0.00 178.83 180.75 3dfp h GLU 325 N 0.55 1.10 -0.66 1.46 4.57 -1.22 -1.13 114.58 119.26 3dfp h GLU 325 Ca 0.10 -0.16 -0.05 0.00 -1.18 0.00 0.00 59.36 58.08 3dfp h GLU 325 Cb 0.48 -0.20 -0.03 0.00 -0.16 0.00 0.00 28.75 28.84 3dfp h GLU 325 CO 0.03 0.85 0.21 0.93 -1.18 0.00 0.00 179.01 179.84 3dfp h GLU 326 N 1.10 1.03 -0.10 1.92 4.39 -1.35 -2.06 114.58 119.51 3dfp h GLU 326 Ca 0.27 -0.22 -0.01 0.00 0.34 0.00 0.00 59.36 59.73 3dfp h GLU 326 Cb 0.11 -0.15 -0.00 0.00 -0.10 0.00 0.00 28.75 28.61 3dfp h GLU 326 CO -0.03 0.90 0.02 -0.92 -1.16 0.00 0.00 179.01 177.82 3dfp h TYR 327 N 0.97 0.17 -0.91 4.33 3.20 -1.30 -2.95 116.97 120.47 3dfp h TYR 327 Ca 0.21 -0.02 0.08 0.00 3.14 0.00 0.00 58.73 62.14 3dfp h TYR 327 Cb 0.30 -0.05 -0.07 0.00 1.54 0.00 0.00 36.73 38.45 3dfp h TYR 327 CO 0.02 0.34 0.56 0.28 -1.64 0.00 0.00 178.16 177.73 3dfp h VAL 328 N -0.05 1.00 -0.91 1.81 2.07 -1.13 -1.20 116.25 117.83 3dfp h VAL 328 Ca 0.03 -0.34 0.01 0.00 0.82 0.00 0.00 66.70 67.22 3dfp h VAL 328 Cb 0.26 -0.07 -0.05 0.00 -1.52 0.00 0.00 31.29 29.91 3dfp h VAL 328 CO 0.00 0.18 0.60 0.11 0.02 0.00 0.00 177.57 178.48 3dfp h LYS 329 N 0.98 1.20 -0.03 1.57 1.57 -1.25 -0.32 116.57 120.29 3dfp h LYS 329 Ca 0.42 -0.07 -0.17 0.00 -1.87 0.00 0.00 60.65 58.96 3dfp h LYS 329 Cb 0.28 -0.27 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 3dfp h LYS 329 CO -0.21 0.79 -0.73 0.00 -0.57 0.00 0.00 179.45 178.73 3dfp h ARG 330 N 1.23 0.21 -0.51 3.15 2.47 -1.24 -1.91 114.38 117.78 3dfp h ARG 330 Ca 0.33 -0.18 -0.08 0.00 -1.26 0.00 0.00 59.98 58.80 3dfp h ARG 330 Cb -0.14 0.04 -0.02 0.00 -1.65 0.00 0.00 29.97 28.20 3dfp h ARG 330 CO -0.07 0.85 0.02 0.00 0.56 0.00 0.00 179.97 181.32 3dfp h ALA 331 N 1.10 0.68 -0.48 0.04 0.00 -0.69 -1.74 119.26 118.17 3dfp h ALA 331 Ca -0.02 -0.28 -0.14 0.00 0.00 0.00 0.00 54.91 54.47 3dfp h ALA 331 Cb 1.29 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 3dfp h ALA 331 CO 0.11 0.48 -0.23 -0.07 0.00 0.00 0.00 179.25 179.54 3dfp h LEU 332 N 0.75 1.03 -0.67 0.00 3.38 -1.03 -2.01 115.31 116.76 3dfp h LEU 332 Ca 0.15 -0.40 -0.07 0.00 0.09 0.00 0.00 57.88 57.65 3dfp h LEU 332 Cb 0.50 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.94 3dfp h LEU 332 CO 0.02 1.20 0.16 0.00 0.09 0.00 0.00 178.44 179.91 3dfp h ALA 333 N 0.87 0.88 0.00 1.53 0.00 -1.21 -2.76 119.26 118.56 3dfp h ALA 333 Ca 0.11 -0.24 -0.12 0.00 0.00 0.00 0.00 54.91 54.65 3dfp h ALA 333 Cb 0.82 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 3dfp h ALA 333 CO 0.07 0.60 -0.58 -0.91 0.00 0.00 0.00 179.25 178.44 3dfp h ASN 334 N 1.00 0.00 -0.82 0.00 2.35 -1.30 -2.26 115.58 114.55 3dfp h ASN 334 Ca 0.21 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.92 3dfp h ASN 334 Cb 0.37 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.71 3dfp h ASN 334 CO 0.00 0.58 0.36 -1.28 -1.65 0.00 0.00 177.43 175.44 3dfp h SER 335 N 0.00 1.10 -0.17 5.81 0.87 -1.14 -1.31 113.55 118.71 3dfp h SER 335 Ca -0.01 -0.15 -0.21 0.00 -1.23 0.00 0.00 61.79 60.19 3dfp h SER 335 Cb 1.26 -0.28 0.01 0.00 -0.44 0.00 0.00 62.40 62.94 3dfp h SER 335 CO 0.07 0.95 -0.72 -0.07 -0.53 0.00 0.00 176.83 176.54 3dfp h LEU 336 N 1.18 0.92 -0.70 2.23 3.38 -1.40 -3.29 115.31 117.63 3dfp h LEU 336 Ca 0.28 -0.62 -0.01 0.00 0.09 0.00 0.00 57.88 57.62 3dfp h LEU 336 Cb 0.17 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.61 3dfp h LEU 336 CO -0.03 1.39 0.41 0.00 0.09 0.00 0.00 178.44 180.29 3dfp h ALA 337 N 0.56 0.89 0.00 1.53 0.00 -1.02 0.44 119.26 121.66 3dfp h ALA 337 Ca -0.04 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3dfp h ALA 337 Cb 1.34 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.85 3dfp h ALA 337 CO 0.15 0.38 0.00 0.00 0.00 0.00 0.00 179.25 179.78 3dfp n GLN 339 N -0.30 2.17 -1.18 0.00 6.02 -0.38 -4.63 117.38 119.09 3dfp n GLN 339 Ca 0.00 -0.08 -0.06 0.00 -0.01 0.00 0.00 57.00 56.85 3dfp n GLN 339 Cb 0.04 -0.41 -0.03 0.00 1.02 0.00 0.00 30.24 30.86 3dfp n GLN 339 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3dfp n GLY 340 N 0.33 0.84 1.00 1.08 0.00 0.57 -4.90 105.19 104.11 3dfp n GLY 340 Ca 0.00 -0.69 0.08 0.00 0.00 0.00 0.00 46.02 45.41 3dfp n GLY 340 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3dfp n LYS 341 N -2.72 3.05 -2.55 1.61 5.02 0.00 -4.89 118.16 117.68 3dfp n LYS 341 Ca -0.06 -2.46 -0.40 0.00 -2.02 0.00 0.00 58.31 53.37 3dfp n LYS 341 Cb 0.21 -1.55 -0.05 0.00 -0.02 0.00 0.00 35.03 33.63 3dfp n LYS 341 CO 0.00 0.00 0.00 -0.47 -0.52 0.00 0.00 177.40 176.41 3dfp s TYR 342 N -1.49 3.62 -0.06 2.13 5.04 -1.21 -4.72 117.35 120.67 3dfp s TYR 342 Ca 0.36 1.74 -0.14 0.00 -2.44 0.00 0.00 57.07 56.59 3dfp s TYR 342 Cb 0.22 -3.19 0.03 0.00 0.35 0.00 0.00 41.96 39.37 3dfp s TYR 342 CO 0.19 -0.33 0.34 0.95 -1.34 0.00 0.00 175.55 175.36 3dfp s THR 343 N -1.26 0.03 0.35 4.34 -4.23 -1.26 -4.97 115.64 108.65 3dfp s THR 343 Ca 0.46 -0.29 0.11 0.00 -1.18 0.00 0.00 61.69 60.80 3dfp s THR 343 Cb -0.29 -0.58 0.34 0.00 1.34 0.00 0.00 72.50 73.31 3dfp s THR 343 CO 0.37 -0.16 1.80 -0.65 -0.54 0.00 0.00 174.62 175.44 3dfp h PRO 344 N 4.48 0.59 -0.69 3.99 0.11 -1.99 -1.14 132.00 137.35 3dfp h PRO 344 Ca -0.28 -0.04 -0.07 0.00 0.11 0.00 0.00 66.00 65.72 3dfp h PRO 344 Cb 1.18 -0.13 -0.03 0.00 0.11 0.00 0.00 31.00 32.13 3dfp h PRO 344 CO 0.36 0.39 0.16 0.66 -0.21 0.00 0.00 178.00 179.36 3dfp h SER 345 N 0.61 1.04 0.00 -2.05 4.64 -2.01 -3.47 113.55 112.31 3dfp h SER 345 Ca 0.55 -0.22 0.00 0.00 -0.47 0.00 0.00 61.79 61.65 3dfp h SER 345 Cb 1.06 -0.27 0.00 0.00 -0.31 0.00 0.00 62.40 62.88 3dfp h SER 345 CO -0.30 1.00 0.00 0.61 -0.87 0.00 0.00 176.83 177.27 3dfp n GLY 346 N -0.69 1.83 0.41 -0.77 0.00 -0.43 -5.24 105.19 100.30 3dfp n GLY 346 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 3dfp n GLY 346 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dfp n GLN 347 N -0.42 0.00 -1.51 1.61 10.64 -1.26 -4.97 117.38 121.46 3dfp n GLN 347 Ca 0.00 -0.41 -0.45 0.00 -1.83 0.00 0.00 57.00 54.32 3dfp n GLN 347 Cb 0.00 -0.22 -0.06 0.00 -0.86 0.00 0.00 30.24 29.10 3dfp n GLN 347 CO 0.00 0.00 0.00 0.45 -1.83 0.00 0.00 177.06 175.68 3dfp n SER 359 N 0.00 2.35 0.27 2.61 2.88 -1.26 -4.68 113.62 115.79 3dfp n SER 359 Ca 0.00 0.13 0.15 0.00 -1.33 0.00 0.00 58.87 57.82 3dfp n SER 359 Cb 0.57 -1.39 0.69 0.00 -0.75 0.00 0.00 64.21 63.33 3dfp n SER 359 CO 0.00 0.00 0.00 -1.13 -1.23 0.00 0.00 175.04 172.68 3dfp h ASN 360 N 14.72 0.00 1.08 -3.46 -1.24 -2.01 -2.16 115.58 122.51 3dfp h ASN 360 Ca -0.29 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.72 3dfp h ASN 360 Cb 1.29 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.34 3dfp h ASN 360 CO 1.06 0.08 0.00 1.41 -1.29 0.00 0.00 177.43 178.69 3dfp n HIS 361 N -3.25 0.84 1.61 0.67 8.25 -1.26 -2.14 115.22 119.94 3dfp n HIS 361 Ca -0.00 0.29 0.15 0.00 -0.26 0.00 0.00 57.72 57.89 3dfp n HIS 361 Cb 0.30 -0.97 0.74 0.00 1.12 0.00 0.00 29.99 31.19 3dfp n HIS 361 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3dfp n ALA 362 N -1.77 2.66 0.31 -1.41 0.00 -0.81 -5.31 120.51 114.17 3dfp n ALA 362 Ca 0.04 -0.24 0.04 0.00 0.00 0.00 0.00 53.44 53.27 3dfp n ALA 362 Cb 0.32 -1.40 0.03 0.00 0.00 0.00 0.00 19.45 18.40 3dfp n ALA 362 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16