#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3haz s ASN 3 N 0.00 6.41 0.11 2.55 0.01 -1.26 -4.56 114.94 118.21 3haz s ASN 3 Ca 0.00 2.94 -0.31 0.00 -0.71 0.00 0.00 52.86 54.78 3haz s ASN 3 Cb 0.00 -2.65 -0.08 0.00 0.41 0.00 0.00 41.25 38.93 3haz s ASN 3 CO 0.00 -0.85 1.49 -0.63 -1.51 0.00 0.00 177.10 175.59 3haz s ILE 4 N -0.50 3.08 0.47 0.60 1.01 -1.26 -4.71 121.20 119.90 3haz s ILE 4 Ca 0.58 0.73 -0.24 0.00 0.00 0.00 0.00 60.65 61.71 3haz s ILE 4 Cb -0.46 -3.47 -0.07 0.00 0.01 0.00 0.00 42.46 38.47 3haz s ILE 4 CO 0.54 0.04 1.38 -2.16 0.00 0.00 0.00 174.94 174.74 3haz s PRO 5 N 1.44 3.57 0.90 2.79 0.04 -1.26 -4.99 135.00 137.49 3haz s PRO 5 Ca 0.68 2.31 -0.11 0.00 0.04 0.00 0.00 61.00 63.92 3haz s PRO 5 Cb -0.39 -2.55 0.14 0.00 0.04 0.00 0.00 34.50 31.74 3haz s PRO 5 CO 0.30 -0.88 1.10 -2.14 0.04 0.00 0.00 177.00 175.43 3haz s PRO 6 N -2.56 1.15 -0.10 0.56 0.02 -1.26 -4.89 135.00 127.92 3haz s PRO 6 Ca 0.64 1.19 -0.39 0.00 0.02 0.00 0.00 61.00 62.46 3haz s PRO 6 Cb -0.42 -1.77 -0.17 0.00 0.02 0.00 0.00 34.50 32.17 3haz s PRO 6 CO 0.52 -2.43 1.46 -2.30 -0.33 0.00 0.00 177.00 173.92 3haz n PRO 7 N -4.06 0.89 -1.69 5.54 -0.02 -1.26 -4.81 135.00 129.59 3haz n PRO 7 Ca 0.09 0.32 -0.43 0.00 -2.02 0.00 0.00 63.50 61.46 3haz n PRO 7 Cb 0.53 -1.95 -0.03 0.00 -0.02 0.00 0.00 33.50 32.03 3haz n PRO 7 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3haz n PHE 8 N 3.43 2.60 -2.71 6.00 7.35 -1.26 -4.91 117.46 127.96 3haz n PHE 8 Ca 0.22 -0.07 -0.09 0.00 -0.76 0.00 0.00 57.45 56.76 3haz n PHE 8 Cb 0.13 -2.70 0.06 0.00 0.35 0.00 0.00 39.48 37.32 3haz n PHE 8 CO 0.00 0.00 0.00 -2.37 -0.76 0.00 0.00 176.76 173.63 3haz n THR 9 N 4.48 0.55 -1.31 -2.13 5.66 -1.26 -4.86 114.28 115.40 3haz n THR 9 Ca 0.18 -2.54 -0.32 0.00 -3.05 0.00 0.00 64.05 58.32 3haz n THR 9 Cb 0.36 0.76 0.10 0.00 -1.55 0.00 0.00 70.33 69.99 3haz n THR 9 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3haz s ALA 10 N -1.81 2.12 0.35 1.79 0.00 -1.26 -4.96 121.76 117.99 3haz s ALA 10 Ca 0.26 0.54 -0.29 0.00 0.00 0.00 0.00 51.96 52.47 3haz s ALA 10 Cb 0.43 -3.36 -0.11 0.00 0.00 0.00 0.00 23.12 20.07 3haz s ALA 10 CO -0.02 -1.87 1.52 -2.14 0.00 0.00 0.00 175.76 173.25 3haz s PRO 11 N -4.43 4.12 -0.05 0.00 0.02 -1.26 -4.95 135.00 128.45 3haz s PRO 11 Ca 0.67 2.57 -0.25 0.00 0.02 0.00 0.00 61.00 64.01 3haz s PRO 11 Cb -0.22 -2.99 -0.22 0.00 0.02 0.00 0.00 34.50 31.09 3haz s PRO 11 CO 0.50 -0.56 1.07 -0.92 -0.33 0.00 0.00 177.00 176.76 3haz h TYR 12 N 3.59 0.20 -2.03 6.54 3.20 -1.98 -3.41 116.97 123.09 3haz h TYR 12 Ca -0.50 -0.10 -0.54 0.00 3.14 0.00 0.00 58.73 60.73 3haz h TYR 12 Cb 1.23 -0.03 -0.40 0.00 1.54 0.00 0.00 36.73 39.08 3haz h TYR 12 CO 0.55 0.86 -1.07 0.00 -1.64 0.00 0.00 178.16 176.86 3haz n ALA 13 N -2.50 2.56 -0.85 1.82 0.00 -1.26 -4.16 120.51 116.11 3haz n ALA 13 Ca -0.09 -3.59 -0.29 0.00 0.00 0.00 0.00 53.44 49.47 3haz n ALA 13 Cb 0.45 -0.85 0.19 0.00 0.00 0.00 0.00 19.45 19.24 3haz n ALA 13 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 3haz s PRO 14 N -1.79 0.25 0.04 0.00 0.02 -1.26 -4.65 135.00 127.61 3haz s PRO 14 Ca 0.38 0.92 -0.30 0.00 0.02 0.00 0.00 61.00 62.01 3haz s PRO 14 Cb 0.23 -1.68 -0.07 0.00 0.02 0.00 0.00 34.50 33.00 3haz s PRO 14 CO -0.09 -2.96 1.52 0.34 -0.33 0.00 0.00 177.00 175.48 3haz s ASP 15 N -2.94 6.73 0.18 2.53 2.15 -1.26 -4.92 116.67 119.14 3haz s ASP 15 Ca 0.66 2.29 -0.13 0.00 0.43 0.00 0.00 52.55 55.80 3haz s ASP 15 Cb -0.22 -2.56 0.12 0.00 -0.30 0.00 0.00 42.92 39.96 3haz s ASP 15 CO 0.60 -0.80 1.80 0.44 -0.17 0.00 0.00 175.17 177.04 3haz h ASP 16 N 8.03 0.42 -0.52 -0.34 5.19 -1.96 -3.05 116.42 124.19 3haz h ASP 16 Ca -0.40 0.02 0.08 0.00 -0.62 0.00 0.00 57.03 56.11 3haz h ASP 16 Cb 1.19 -0.06 -0.07 0.00 0.18 0.00 0.00 39.33 40.57 3haz h ASP 16 CO 0.91 0.29 0.14 0.00 -3.12 0.00 0.00 179.24 177.47 3haz h ALA 17 N 1.25 0.62 -0.20 3.45 0.00 -1.92 0.50 119.26 122.96 3haz h ALA 17 Ca 0.21 0.09 -0.04 0.00 0.00 0.00 0.00 54.91 55.17 3haz h ALA 17 Cb 0.08 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3haz h ALA 17 CO -0.13 -0.26 -0.06 0.93 0.00 0.00 0.00 179.25 179.73 3haz h GLU 18 N 0.30 0.30 -0.11 0.00 5.08 -1.85 0.17 114.58 118.48 3haz h GLU 18 Ca 0.26 -0.06 -0.08 0.00 -1.00 0.00 0.00 59.36 58.48 3haz h GLU 18 Cb 0.33 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.53 3haz h GLU 18 CO -0.30 0.38 -0.24 0.82 -1.00 0.00 0.00 179.01 178.67 3haz h ILE 19 N 0.30 1.38 0.00 3.13 2.04 -1.22 -3.03 117.51 120.12 3haz h ILE 19 Ca 0.06 -1.52 -0.01 0.00 1.00 0.00 0.00 64.86 64.39 3haz h ILE 19 Cb 0.30 2.09 -0.00 0.00 -0.74 0.00 0.00 36.82 38.47 3haz h ILE 19 CO 0.01 0.44 -0.07 0.00 0.00 0.00 0.00 178.15 178.54 3haz h ALA 20 N 0.52 1.76 -0.07 1.87 0.00 -0.46 0.15 119.26 123.04 3haz h ALA 20 Ca 0.00 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 3haz h ALA 20 Cb 0.83 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 3haz h ALA 20 CO 0.05 0.08 -0.25 0.00 0.00 0.00 0.00 179.25 179.13 3haz h ALA 21 N 1.93 1.46 0.05 0.00 0.00 -0.55 -1.08 119.26 121.06 3haz h ALA 21 Ca -0.00 -0.27 -0.29 0.00 0.00 0.00 0.00 54.91 54.36 3haz h ALA 21 Cb 0.13 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 3haz h ALA 21 CO 0.01 0.39 -1.56 0.54 0.00 0.00 0.00 179.25 178.63 3haz n ARG 22 N -4.20 0.64 -0.31 0.00 1.74 -0.55 -4.40 116.66 109.59 3haz n ARG 22 Ca -0.02 0.46 -0.04 0.00 -0.77 0.00 0.00 57.85 57.48 3haz n ARG 22 Cb 0.33 -1.73 0.08 0.00 -1.02 0.00 0.00 32.46 30.12 3haz n ARG 22 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 3haz h LEU 23 N -0.61 1.01 0.53 0.55 3.38 -0.74 -3.06 115.31 116.37 3haz h LEU 23 Ca -0.39 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 57.49 3haz h LEU 23 Cb 1.58 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 42.07 3haz h LEU 23 CO -0.11 0.79 -0.29 -0.07 0.09 0.00 0.00 178.44 178.85 3haz h LEU 24 N 1.14 -0.72 -0.48 1.67 3.38 -1.41 -2.01 115.31 116.89 3haz h LEU 24 Ca 0.30 0.04 0.01 0.00 0.09 0.00 0.00 57.88 58.31 3haz h LEU 24 Cb -0.02 0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 3haz h LEU 24 CO -0.05 -0.48 0.31 -0.65 0.09 0.00 0.00 178.44 177.66 3haz h PRO 25 N -0.77 0.62 -0.06 1.13 0.11 -1.77 -2.34 132.00 128.93 3haz h PRO 25 Ca -0.07 -0.04 0.02 0.00 0.11 0.00 0.00 66.00 66.02 3haz h PRO 25 Cb 0.61 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 31.58 3haz h PRO 25 CO 0.09 0.41 0.08 0.00 -0.21 0.00 0.00 178.00 178.37 3haz h ALA 26 N 1.18 1.50 0.00 -0.75 0.00 -1.41 -2.25 119.26 117.53 3haz h ALA 26 Ca 0.18 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.09 3haz h ALA 26 Cb -0.06 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.73 3haz h ALA 26 CO -0.05 -0.11 0.00 -1.13 0.00 0.00 0.00 179.25 177.96 3haz n SER 27 N -3.63 0.00 -4.75 0.00 3.41 -0.77 -4.85 113.62 103.03 3haz n SER 27 Ca -0.02 0.40 -0.41 0.00 -0.26 0.00 0.00 58.87 58.58 3haz n SER 27 Cb 0.17 -0.46 -0.02 0.00 -0.26 0.00 0.00 64.21 63.64 3haz n SER 27 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 3haz s HIS 28 N -2.92 2.91 0.11 7.33 5.04 -0.85 -5.02 115.29 121.90 3haz s HIS 28 Ca 0.11 0.91 0.06 0.00 -1.54 0.00 0.00 55.06 54.60 3haz s HIS 28 Cb 0.13 -3.92 -0.04 0.00 0.04 0.00 0.00 32.58 28.79 3haz s HIS 28 CO 0.34 -3.07 -0.15 -0.51 -2.34 0.00 0.00 174.74 169.01 3haz s LEU 29 N -0.37 2.36 0.68 8.88 1.43 -1.26 -5.15 118.68 125.25 3haz s LEU 29 Ca 0.61 -0.75 -0.13 0.00 -1.03 0.00 0.00 54.13 52.83 3haz s LEU 29 Cb -0.44 -0.59 0.01 0.00 0.03 0.00 0.00 46.19 45.20 3haz s LEU 29 CO 0.45 -0.10 1.09 -0.94 0.23 0.00 0.00 176.35 177.08 3haz s SER 30 N -2.21 5.09 0.28 2.29 1.04 -1.26 -4.76 113.70 114.16 3haz s SER 30 Ca 0.06 1.88 0.02 0.00 0.48 0.00 0.00 55.95 58.39 3haz s SER 30 Cb -0.07 -2.53 0.62 0.00 0.10 0.00 0.00 66.02 64.14 3haz s SER 30 CO 0.03 -1.64 1.75 -0.65 0.98 0.00 0.00 173.24 173.71 3haz h PRO 31 N -0.29 0.60 -0.63 4.02 0.11 -2.01 -0.21 132.00 133.59 3haz h PRO 31 Ca -0.46 -0.04 -0.08 0.00 0.11 0.00 0.00 66.00 65.54 3haz h PRO 31 Cb 1.23 -0.14 -0.03 0.00 0.11 0.00 0.00 31.00 32.18 3haz h PRO 31 CO 0.54 0.40 0.08 -1.35 -0.21 0.00 0.00 178.00 177.46 3haz h PRO 32 N 0.62 1.05 -0.50 1.05 0.11 -1.99 -1.71 132.00 130.62 3haz h PRO 32 Ca 0.51 -0.29 -0.01 0.00 0.11 0.00 0.00 66.00 66.32 3haz h PRO 32 Cb 0.79 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 31.75 3haz h PRO 32 CO -0.40 0.98 0.27 1.96 -0.21 0.00 0.00 178.00 180.60 3haz h GLN 33 N 0.98 0.71 -0.04 1.05 4.20 -1.47 -1.75 115.11 118.80 3haz h GLN 33 Ca 0.19 -0.09 -0.09 0.00 0.06 0.00 0.00 58.65 58.72 3haz h GLN 33 Cb 0.46 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 28.09 3haz h GLN 33 CO 0.02 0.56 -0.40 0.93 -0.67 0.00 0.00 178.83 179.27 3haz h GLU 34 N 0.67 0.08 -0.25 1.46 4.39 -1.02 -1.96 114.58 117.94 3haz h GLU 34 Ca 0.18 -0.03 -0.07 0.00 0.34 0.00 0.00 59.36 59.77 3haz h GLU 34 Cb 0.07 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.71 3haz h GLU 34 CO -0.03 0.47 -0.11 0.00 -1.16 0.00 0.00 179.01 178.18 3haz h ALA 35 N 1.53 0.36 -0.26 3.43 0.00 -0.96 0.98 119.26 124.34 3haz h ALA 35 Ca 0.00 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.61 3haz h ALA 35 Cb 0.73 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 3haz h ALA 35 CO 0.05 0.21 0.16 0.00 0.00 0.00 0.00 179.25 179.68 3haz h ARG 36 N 0.26 0.35 -0.40 0.00 3.08 -1.21 -1.82 114.38 114.64 3haz h ARG 36 Ca 0.06 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.08 3haz h ARG 36 Cb 0.61 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.57 3haz h ARG 36 CO 0.04 0.26 0.26 0.82 -1.07 0.00 0.00 179.97 180.27 3haz h ILE 37 N 0.33 1.11 -0.42 2.04 2.04 -1.24 -1.42 117.51 119.94 3haz h ILE 37 Ca 0.09 -0.21 0.01 0.00 1.00 0.00 0.00 64.86 65.76 3haz h ILE 37 Cb -0.00 0.54 -0.03 0.00 -0.74 0.00 0.00 36.82 36.59 3haz h ILE 37 CO -0.02 0.10 0.26 -0.74 0.00 0.00 0.00 178.15 177.76 3haz h HIS 38 N 0.53 0.49 0.02 1.37 2.76 -0.65 -0.50 115.15 119.18 3haz h HIS 38 Ca 0.14 0.01 -0.00 0.00 -2.20 0.00 0.00 60.37 58.33 3haz h HIS 38 Cb -0.05 -0.16 0.00 0.00 1.55 0.00 0.00 27.41 28.75 3haz h HIS 38 CO -0.05 0.30 -0.01 -0.09 -1.30 0.00 0.00 177.93 176.78 3haz h ARG 39 N 0.53 -0.03 -0.45 5.26 2.43 -1.09 -0.59 114.38 120.44 3haz h ARG 39 Ca 0.16 0.00 0.08 0.00 -0.81 0.00 0.00 59.98 59.41 3haz h ARG 39 Cb -0.02 0.01 -0.06 0.00 -0.42 0.00 0.00 29.97 29.47 3haz h ARG 39 CO -0.06 0.22 0.08 1.15 -1.51 0.00 0.00 179.97 179.85 3haz h THR 40 N -0.29 0.74 -0.47 0.20 2.02 -1.16 -1.80 112.91 112.15 3haz h THR 40 Ca -0.00 -0.07 -0.04 0.00 0.77 0.00 0.00 66.41 67.06 3haz h THR 40 Cb 0.27 0.52 -0.02 0.00 -1.74 0.00 0.00 68.15 67.18 3haz h THR 40 CO 0.01 0.04 0.13 0.00 0.37 0.00 0.00 175.52 176.06 3haz h ALA 41 N 1.35 0.62 -0.53 6.16 0.00 -0.99 -1.70 119.26 124.18 3haz h ALA 41 Ca 0.22 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 54.96 3haz h ALA 41 Cb 0.29 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 3haz h ALA 41 CO -0.30 0.29 0.32 1.15 0.00 0.00 0.00 179.25 180.70 3haz h THR 42 N 0.63 1.06 -0.66 0.00 2.02 -0.84 -1.23 112.91 113.88 3haz h THR 42 Ca 0.15 -0.22 -0.05 0.00 0.77 0.00 0.00 66.41 67.06 3haz h THR 42 Cb 0.30 0.37 -0.03 0.00 -1.74 0.00 0.00 68.15 67.05 3haz h THR 42 CO -0.00 0.12 0.22 0.03 0.37 0.00 0.00 175.52 176.25 3haz h ARG 43 N 0.63 1.00 -0.32 6.66 3.08 -1.16 -0.03 114.38 124.24 3haz h ARG 43 Ca 0.21 -0.19 -0.02 0.00 0.07 0.00 0.00 59.98 60.05 3haz h ARG 43 Cb 0.02 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 29.90 3haz h ARG 43 CO -0.09 0.85 0.13 -0.07 -1.07 0.00 0.00 179.97 179.72 3haz h LEU 44 N 0.97 0.45 -0.92 3.04 3.38 -0.88 -2.35 115.31 119.01 3haz h LEU 44 Ca 0.22 -0.17 -0.10 0.00 0.09 0.00 0.00 57.88 57.93 3haz h LEU 44 Cb 0.26 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 3haz h LEU 44 CO -0.01 0.49 -0.23 0.40 0.09 0.00 0.00 178.44 179.18 3haz h ILE 45 N 0.37 1.26 -0.57 1.22 2.04 -0.97 -1.36 117.51 119.51 3haz h ILE 45 Ca 0.11 -1.25 0.00 0.00 1.00 0.00 0.00 64.86 64.72 3haz h ILE 45 Cb 0.19 1.30 -0.03 0.00 -0.74 0.00 0.00 36.82 37.54 3haz h ILE 45 CO -0.01 0.40 0.37 -0.33 0.00 0.00 0.00 178.15 178.58 3haz h GLU 46 N 0.47 0.75 -0.46 2.37 5.08 -0.83 -0.59 114.58 121.37 3haz h GLU 46 Ca 0.07 -0.05 -0.11 0.00 -1.00 0.00 0.00 59.36 58.27 3haz h GLU 46 Cb 0.65 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.72 3haz h GLU 46 CO 0.05 0.51 -0.15 0.00 -1.00 0.00 0.00 179.01 178.42 3haz h ALA 47 N 1.20 0.88 -0.39 3.43 0.00 -1.10 -2.07 119.26 121.21 3haz h ALA 47 Ca 0.21 -0.35 0.03 0.00 0.00 0.00 0.00 54.91 54.80 3haz h ALA 47 Cb -0.07 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 3haz h ALA 47 CO -0.04 0.63 0.26 0.82 0.00 0.00 0.00 179.25 180.92 3haz h ILE 48 N 0.77 1.04 -0.51 0.00 2.04 -0.77 -2.62 117.51 117.45 3haz h ILE 48 Ca 0.12 -0.15 0.00 0.00 1.00 0.00 0.00 64.86 65.83 3haz h ILE 48 Cb 0.66 0.57 0.00 0.00 -0.74 0.00 0.00 36.82 37.32 3haz h ILE 48 CO 0.05 0.08 0.00 0.54 0.00 0.00 0.00 178.15 178.82 3haz n ARG 49 N -4.48 2.40 0.00 2.37 1.74 -0.27 -5.01 116.66 113.40 3haz n ARG 49 Ca 0.04 -1.92 0.00 0.00 -0.77 0.00 0.00 57.85 55.20 3haz n ARG 49 Cb 0.14 -1.48 0.00 0.00 -1.02 0.00 0.00 32.46 30.10 3haz n ARG 49 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3haz n LYS 50 N 0.95 0.00 0.00 5.56 5.02 -0.99 -5.05 118.16 123.65 3haz n LYS 50 Ca 0.18 0.01 0.00 0.00 -2.02 0.00 0.00 58.31 56.48 3haz n LYS 50 Cb 0.50 -0.58 0.00 0.00 -0.02 0.00 0.00 35.03 34.93 3haz n LYS 50 CO 0.00 0.00 0.00 1.47 -0.52 0.00 0.00 177.40 178.35 3haz n LEU 55 N -0.09 0.00 0.00 -0.35 -0.00 -1.26 -5.11 117.00 110.20 3haz n LEU 55 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 3haz n LEU 55 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 3haz n LEU 55 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 177.39 178.00 3haz n GLY 56 N 0.00 3.21 3.26 1.47 0.00 -1.26 -5.17 105.19 106.70 3haz n GLY 56 Ca 0.00 -0.89 -0.16 0.00 0.00 0.00 0.00 46.02 44.97 3haz n GLY 56 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3haz s GLY 57 N 0.00 1.93 0.18 -0.02 0.00 -1.26 -5.01 107.32 103.14 3haz s GLY 57 Ca 0.00 -1.90 -0.13 0.00 0.00 0.00 0.00 44.72 42.69 3haz s GLY 57 CO 0.00 -1.42 1.82 -2.08 0.00 0.00 0.00 173.10 171.41 3haz h VAL 58 N 2.33 1.17 -0.81 1.40 2.07 -1.99 -1.74 116.25 118.68 3haz h VAL 58 Ca -0.29 -0.39 0.06 0.00 0.82 0.00 0.00 66.70 66.89 3haz h VAL 58 Cb 1.24 0.37 -0.05 0.00 -1.52 0.00 0.00 31.29 31.33 3haz h VAL 58 CO 0.43 0.18 0.53 -0.33 0.02 0.00 0.00 177.57 178.40 3haz h GLU 59 N 0.80 0.88 -0.54 1.57 3.07 -1.96 -0.41 114.58 117.99 3haz h GLU 59 Ca 0.21 -0.05 -0.07 0.00 -0.50 0.00 0.00 59.36 58.95 3haz h GLU 59 Cb -0.02 -0.20 -0.02 0.00 -0.84 0.00 0.00 28.75 27.67 3haz h GLU 59 CO -0.04 0.59 0.08 -0.44 -1.40 0.00 0.00 179.01 177.80 3haz h ASP 60 N 0.91 0.87 -0.32 1.42 3.32 -1.72 -1.17 116.42 119.73 3haz h ASP 60 Ca 0.34 -0.26 -0.04 0.00 0.02 0.00 0.00 57.03 57.09 3haz h ASP 60 Cb 0.18 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.49 3haz h ASP 60 CO -0.12 0.91 0.03 -0.03 -1.72 0.00 0.00 179.24 178.31 3haz h MET 61 N 0.79 0.54 -0.80 3.56 4.05 -0.64 0.34 114.93 122.78 3haz h MET 61 Ca 0.16 -0.16 0.03 0.00 -0.28 0.00 0.00 59.70 59.45 3haz h MET 61 Cb 0.41 -0.06 -0.05 0.00 -0.80 0.00 0.00 31.60 31.11 3haz h MET 61 CO 0.01 0.65 0.51 -0.07 0.23 0.00 0.00 176.91 178.25 3haz h LEU 62 N 0.36 0.86 -0.03 3.39 3.38 -0.98 -2.10 115.31 120.18 3haz h LEU 62 Ca 0.09 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.99 3haz h LEU 62 Cb 0.39 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.95 3haz h LEU 62 CO 0.01 0.60 -0.26 -0.09 0.09 0.00 0.00 178.44 178.79 3haz h ARG 63 N 1.01 0.23 -0.68 1.13 2.43 -1.10 0.25 114.38 117.66 3haz h ARG 63 Ca 0.31 -0.20 0.11 0.00 -0.81 0.00 0.00 59.98 59.39 3haz h ARG 63 Cb -0.02 0.05 -0.08 0.00 -0.42 0.00 0.00 29.97 29.50 3haz h ARG 63 CO -0.10 0.88 0.27 1.49 -1.51 0.00 0.00 179.97 180.99 3haz h GLU 64 N -0.35 0.43 -0.47 0.20 4.81 -0.15 -2.28 114.58 116.77 3haz h GLU 64 Ca -0.02 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 3haz h GLU 64 Cb 0.94 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.23 3haz h GLU 64 CO 0.05 0.28 0.00 1.19 -0.73 0.00 0.00 179.01 179.81 3haz n PHE 65 N -4.99 0.62 -3.70 0.92 3.72 -0.80 -4.97 117.46 108.27 3haz n PHE 65 Ca 0.11 -0.43 -0.23 0.00 -0.05 0.00 0.00 57.45 56.85 3haz n PHE 65 Cb 0.33 -0.01 0.03 0.00 -0.94 0.00 0.00 39.48 38.89 3haz n PHE 65 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3haz n ALA 66 N 1.08 -2.15 -2.25 4.37 0.00 -0.23 -4.94 120.51 116.38 3haz n ALA 66 Ca 0.17 -0.17 -0.39 0.00 0.00 0.00 0.00 53.44 53.05 3haz n ALA 66 Cb 0.51 -2.58 -0.06 0.00 0.00 0.00 0.00 19.45 17.32 3haz n ALA 66 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3haz s LEU 67 N -6.57 4.52 0.96 0.00 1.43 0.72 -5.02 118.68 114.72 3haz s LEU 67 Ca 0.13 1.34 -0.12 0.00 -1.03 0.00 0.00 54.13 54.44 3haz s LEU 67 Cb -0.04 -3.01 0.17 0.00 0.03 0.00 0.00 46.19 43.34 3haz s LEU 67 CO 0.83 0.22 1.11 -0.94 0.23 0.00 0.00 176.35 177.79 3haz s SER 68 N -0.90 3.00 0.24 2.29 1.04 -1.26 -4.82 113.70 113.28 3haz s SER 68 Ca 0.31 1.15 -0.06 0.00 0.48 0.00 0.00 55.95 57.84 3haz s SER 68 Cb -0.20 -1.80 0.24 0.00 0.10 0.00 0.00 66.02 64.36 3haz s SER 68 CO 0.21 -2.89 1.85 0.71 0.98 0.00 0.00 173.24 174.10 3haz h THR 69 N -1.73 1.25 -0.65 2.02 1.35 -1.97 -1.35 112.91 111.83 3haz h THR 69 Ca -0.53 -0.66 -0.05 0.00 -0.55 0.00 0.00 66.41 64.62 3haz h THR 69 Cb 1.32 0.12 -0.03 0.00 -1.73 0.00 0.00 68.15 67.83 3haz h THR 69 CO 0.59 0.29 0.20 0.50 -0.25 0.00 0.00 175.52 176.85 3haz h LYS 70 N 1.21 0.99 -0.18 4.72 3.64 -1.98 -1.66 116.57 123.30 3haz h LYS 70 Ca 0.30 -0.19 -0.12 0.00 -1.27 0.00 0.00 60.65 59.37 3haz h LYS 70 Cb 0.06 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 31.73 3haz h LYS 70 CO -0.04 0.85 -0.34 0.93 -2.27 0.00 0.00 179.45 178.57 3haz h GLU 71 N 0.96 0.56 -0.64 1.90 5.08 -1.82 -1.03 114.58 119.58 3haz h GLU 71 Ca 0.21 -0.35 0.05 0.00 -1.00 0.00 0.00 59.36 58.27 3haz h GLU 71 Cb 0.27 0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.51 3haz h GLU 71 CO -0.01 0.96 0.37 0.78 -1.00 0.00 0.00 179.01 180.11 3haz h GLY 72 N 0.22 0.93 0.92 -3.84 0.00 -1.19 -1.97 103.07 98.13 3haz h GLY 72 Ca 0.01 -0.26 -0.01 0.00 0.00 0.00 0.00 47.33 47.07 3haz h GLY 72 CO 0.08 0.18 0.10 -2.00 0.00 0.00 0.00 176.54 174.90 3haz h LEU 73 N 0.69 0.28 -0.63 3.11 6.46 -1.14 -1.26 115.31 122.82 3haz h LEU 73 Ca 0.28 -0.12 0.04 0.00 -0.12 0.00 0.00 57.88 57.95 3haz h LEU 73 Cb 0.13 -0.07 -0.05 0.00 -0.73 0.00 0.00 40.66 39.95 3haz h LEU 73 CO -0.16 0.33 0.37 0.00 -0.62 0.00 0.00 178.44 178.36 3haz h ALA 74 N 0.97 0.83 -0.26 1.25 0.00 -0.93 -0.91 119.26 120.20 3haz h ALA 74 Ca 0.07 -0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.84 3haz h ALA 74 Cb 0.12 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3haz h ALA 74 CO -0.01 0.09 -0.40 -0.07 0.00 0.00 0.00 179.25 178.86 3haz h LEU 75 N 0.72 0.66 -0.85 0.00 3.38 -1.20 -0.43 115.31 117.60 3haz h LEU 75 Ca 0.27 -0.30 -0.10 0.00 0.09 0.00 0.00 57.88 57.84 3haz h LEU 75 Cb 0.08 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 3haz h LEU 75 CO -0.13 0.99 -0.23 0.24 0.09 0.00 0.00 178.44 179.39 3haz h MET 76 N 0.52 0.59 -0.17 1.13 2.86 -0.91 0.37 114.93 119.32 3haz h MET 76 Ca 0.04 -0.23 -0.04 0.00 -2.06 0.00 0.00 59.70 57.41 3haz h MET 76 Cb 0.92 -0.03 -0.00 0.00 0.06 0.00 0.00 31.60 32.54 3haz h MET 76 CO 0.08 0.78 -0.06 0.28 1.06 0.00 0.00 176.91 179.06 3haz h VAL 77 N 0.52 1.30 -0.85 -2.22 2.07 -0.99 -1.64 116.25 114.44 3haz h VAL 77 Ca 0.08 -1.06 -0.00 0.00 0.82 0.00 0.00 66.70 66.54 3haz h VAL 77 Cb 0.68 1.65 -0.04 0.00 -1.52 0.00 0.00 31.29 32.06 3haz h VAL 77 CO 0.05 0.31 0.52 0.25 0.02 0.00 0.00 177.57 178.73 3haz h LEU 78 N 0.03 1.01 -0.37 2.57 5.85 -0.93 -2.54 115.31 120.93 3haz h LEU 78 Ca 0.04 -0.06 0.06 0.00 0.84 0.00 0.00 57.88 58.76 3haz h LEU 78 Cb 0.51 -0.25 -0.05 0.00 0.37 0.00 0.00 40.66 41.24 3haz h LEU 78 CO 0.02 0.77 0.07 0.00 -0.34 0.00 0.00 178.44 178.96 3haz h ALA 79 N 1.28 0.39 -0.46 1.25 0.00 -0.12 -1.12 119.26 120.48 3haz h ALA 79 Ca 0.31 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.27 3haz h ALA 79 Cb -0.06 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 3haz h ALA 79 CO -0.06 -0.33 0.21 1.49 0.00 0.00 0.00 179.25 180.56 3haz h GLU 80 N 0.19 0.66 -0.34 0.00 4.57 -1.00 -0.39 114.58 118.28 3haz h GLU 80 Ca 0.18 -0.10 0.05 0.00 -1.18 0.00 0.00 59.36 58.31 3haz h GLU 80 Cb 0.20 -0.12 -0.05 0.00 -0.16 0.00 0.00 28.75 28.63 3haz h GLU 80 CO -0.23 0.57 0.04 0.00 -1.18 0.00 0.00 179.01 178.21 3haz h ALA 81 N 1.06 0.34 -0.51 2.92 0.00 -1.19 -2.11 119.26 119.76 3haz h ALA 81 Ca 0.16 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 3haz h ALA 81 Cb 0.13 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 3haz h ALA 81 CO -0.02 -0.36 0.26 -0.07 0.00 0.00 0.00 179.25 179.06 3haz h LEU 82 N 0.15 0.63 -1.45 0.00 3.38 -0.82 -2.12 115.31 115.08 3haz h LEU 82 Ca 0.16 -0.05 -0.05 0.00 0.09 0.00 0.00 57.88 58.03 3haz h LEU 82 Cb 0.20 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 3haz h LEU 82 CO -0.23 0.53 -0.23 -0.07 0.09 0.00 0.00 178.44 178.52 3haz h LEU 83 N 0.71 0.00 -2.11 1.67 3.38 -0.44 -3.01 115.31 115.52 3haz h LEU 83 Ca 0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.15 3haz h LEU 83 Cb 0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.80 3haz h LEU 83 CO -0.03 0.23 0.00 0.54 0.09 0.00 0.00 178.44 179.27 3haz n ARG 84 N -3.66 2.35 -2.51 1.13 5.12 -0.81 -4.86 116.66 113.43 3haz n ARG 84 Ca -0.01 -2.07 -0.41 0.00 -1.93 0.00 0.00 57.85 53.43 3haz n ARG 84 Cb 0.36 -1.48 -0.04 0.00 -1.16 0.00 0.00 32.46 30.14 3haz n ARG 84 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 3haz s VAL 85 N -1.38 4.04 0.21 1.55 1.01 -1.14 -4.95 120.40 119.73 3haz s VAL 85 Ca 0.39 1.62 -0.10 0.00 0.00 0.00 0.00 61.98 63.89 3haz s VAL 85 Cb 0.21 -4.03 0.15 0.00 0.00 0.00 0.00 36.38 32.70 3haz s VAL 85 CO 0.29 0.21 1.85 -0.65 0.00 0.00 0.00 175.10 176.80 3haz h PRO 86 N 5.86 0.84 -4.53 2.72 0.11 -1.91 -3.37 132.00 131.72 3haz h PRO 86 Ca -0.43 -0.05 -0.71 0.00 0.11 0.00 0.00 66.00 64.92 3haz h PRO 86 Cb 1.21 -0.19 -0.25 0.00 0.11 0.00 0.00 31.00 31.88 3haz h PRO 86 CO 0.76 0.55 -0.49 0.34 -0.21 0.00 0.00 178.00 178.95 3haz s ASP 87 N -5.74 5.75 0.50 -2.05 2.15 -1.26 -4.95 116.67 111.07 3haz s ASP 87 Ca -0.13 -1.16 0.27 0.00 0.43 0.00 0.00 52.55 51.96 3haz s ASP 87 Cb 0.15 -2.03 1.36 0.00 -0.30 0.00 0.00 42.92 42.11 3haz s ASP 87 CO 0.77 -0.45 1.90 0.00 -0.17 0.00 0.00 175.17 177.22 3haz h ALA 88 N 8.46 2.61 -0.43 3.66 0.00 -1.94 0.54 119.26 132.16 3haz h ALA 88 Ca -0.25 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.59 3haz h ALA 88 Cb 1.10 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 3haz h ALA 88 CO 0.71 -0.86 0.03 0.07 0.00 0.00 0.00 179.25 179.20 3haz h ARG 89 N 0.11 0.68 -0.46 0.00 -0.00 -1.94 -1.98 114.38 110.78 3haz h ARG 89 Ca 0.41 -0.15 -0.00 0.00 -0.00 0.00 0.00 59.98 60.23 3haz h ARG 89 Cb 1.44 -0.09 -0.02 0.00 -0.00 0.00 0.00 29.97 31.30 3haz h ARG 89 CO -0.05 0.67 0.27 1.15 -0.00 0.00 0.00 179.97 182.01 3haz h THR 90 N 0.64 1.15 -0.33 0.08 2.02 -0.31 -2.11 112.91 114.06 3haz h THR 90 Ca 0.14 -0.36 -0.00 0.00 0.77 0.00 0.00 66.41 66.95 3haz h THR 90 Cb 0.36 0.56 -0.02 0.00 -1.74 0.00 0.00 68.15 67.31 3haz h THR 90 CO 0.01 0.16 0.20 0.00 0.37 0.00 0.00 175.52 176.25 3haz h ALA 91 N 1.12 0.42 -0.87 6.16 0.00 -1.22 -2.50 119.26 122.36 3haz h ALA 91 Ca 0.16 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.05 3haz h ALA 91 Cb 0.02 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 17.63 3haz h ALA 91 CO -0.03 -0.08 0.57 -0.44 0.00 0.00 0.00 179.25 179.27 3haz h ASP 92 N 0.42 0.95 -0.47 0.00 3.45 -1.15 0.94 116.42 120.56 3haz h ASP 92 Ca 0.12 -0.01 -0.04 0.00 0.43 0.00 0.00 57.03 57.53 3haz h ASP 92 Cb 0.01 -0.22 -0.02 0.00 -0.56 0.00 0.00 39.33 38.54 3haz h ASP 92 CO -0.02 0.66 0.15 1.56 -1.57 0.00 0.00 179.24 180.01 3haz h GLN 93 N 1.10 0.72 0.02 3.56 1.08 -1.22 -2.16 115.11 118.22 3haz h GLN 93 Ca 0.34 -0.15 -0.00 0.00 -1.45 0.00 0.00 58.65 57.38 3haz h GLN 93 Cb -0.01 -0.10 0.00 0.00 -0.05 0.00 0.00 27.48 27.31 3haz h GLN 93 CO -0.10 0.69 -0.01 0.35 -0.95 0.00 0.00 178.83 178.81 3haz h PHE 94 N 0.62 -0.02 -0.54 2.96 3.57 -0.83 0.27 116.94 122.96 3haz h PHE 94 Ca 0.15 -0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.73 3haz h PHE 94 Cb 0.26 0.01 -0.07 0.00 2.79 0.00 0.00 35.95 38.95 3haz h PHE 94 CO 0.01 0.08 0.18 0.82 -2.23 0.00 0.00 178.31 177.18 3haz h ILE 95 N -0.12 0.78 0.07 1.41 2.04 -0.80 0.14 117.51 121.04 3haz h ILE 95 Ca -0.00 -0.12 -0.25 0.00 1.00 0.00 0.00 64.86 65.48 3haz h ILE 95 Cb 0.11 0.40 0.02 0.00 -0.74 0.00 0.00 36.82 36.62 3haz h ILE 95 CO 0.00 0.06 -1.04 -0.33 0.00 0.00 0.00 178.15 176.85 3haz h GLU 96 N 0.35 0.58 0.07 2.37 4.39 -1.27 -3.34 114.58 117.73 3haz h GLU 96 Ca 0.27 -0.72 -0.34 0.00 0.34 0.00 0.00 59.36 58.92 3haz h GLU 96 Cb 0.32 0.23 -0.03 0.00 -0.10 0.00 0.00 28.75 29.17 3haz h GLU 96 CO -0.29 1.31 -1.89 -0.25 -1.16 0.00 0.00 179.01 176.73 3haz n ASP 97 N -3.92 1.60 -0.03 1.42 8.00 0.94 -4.79 116.55 119.77 3haz n ASP 97 Ca -0.13 0.29 -0.08 0.00 0.71 0.00 0.00 54.79 55.58 3haz n ASP 97 Cb 0.89 -0.52 -0.03 0.00 -0.02 0.00 0.00 41.12 41.44 3haz n ASP 97 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3haz n LYS 98 N -3.30 0.22 -1.68 -1.24 4.76 0.37 -4.74 118.16 112.56 3haz n LYS 98 Ca -0.26 0.09 -0.46 0.00 -2.87 0.00 0.00 58.31 54.81 3haz n LYS 98 Cb 1.05 -0.87 -0.04 0.00 -1.84 0.00 0.00 35.03 33.33 3haz n LYS 98 CO 0.00 0.00 0.00 -0.11 -1.37 0.00 0.00 177.40 175.92 3haz n LEU 99 N -3.63 3.40 0.00 -0.35 7.94 -0.41 -1.43 117.00 122.52 3haz n LEU 99 Ca -0.15 1.02 0.00 0.00 -1.11 0.00 0.00 56.01 55.77 3haz n LEU 99 Cb 0.48 -1.42 0.00 0.00 0.53 0.00 0.00 43.42 43.01 3haz n LEU 99 CO 0.04 -0.11 0.00 0.61 -1.11 0.00 0.00 177.39 176.81 3haz n GLY 100 N 3.98 2.41 0.11 -3.96 0.00 -1.26 -4.78 105.19 101.69 3haz n GLY 100 Ca 0.20 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.06 3haz n GLY 100 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3haz h GLU 101 N 2.43 0.22 0.00 1.61 4.39 -1.53 -3.44 114.58 118.26 3haz h GLU 101 Ca 0.00 -0.38 0.00 0.00 0.34 0.00 0.00 59.36 59.32 3haz h GLU 101 Cb 0.00 0.14 0.00 0.00 -0.10 0.00 0.00 28.75 28.79 3haz h GLU 101 CO 0.00 1.08 0.00 0.41 -1.16 0.00 0.00 179.01 179.34 3haz n GLY 102 N 1.65 -0.55 4.00 -3.84 0.00 -1.21 -4.72 105.19 100.52 3haz n GLY 102 Ca -0.16 -0.72 -0.33 0.00 0.00 0.00 0.00 46.02 44.81 3haz n GLY 102 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3haz n ASP 103 N 0.00 -3.23 0.16 1.61 8.00 -1.26 -4.80 116.55 117.03 3haz n ASP 103 Ca 0.00 -0.84 -0.14 0.00 0.71 0.00 0.00 54.79 54.52 3haz n ASP 103 Cb 0.00 -2.66 -0.07 0.00 -0.02 0.00 0.00 41.12 38.36 3haz n ASP 103 CO 0.00 0.00 0.00 -0.26 -0.39 0.00 0.00 177.20 176.55 3haz h PHE 104 N -1.27 -0.38 -0.32 1.24 0.04 -1.94 0.17 116.94 114.47 3haz h PHE 104 Ca -0.53 -0.00 -0.15 0.00 2.80 0.00 0.00 57.97 60.09 3haz h PHE 104 Cb 1.35 0.14 -0.00 0.00 2.20 0.00 0.00 35.95 39.63 3haz h PHE 104 CO 0.66 -0.23 -0.37 0.82 -0.60 0.00 0.00 178.31 178.59 3haz h ILE 105 N -0.37 1.29 -0.46 -0.55 2.04 -1.89 -2.50 117.51 115.06 3haz h ILE 105 Ca -0.02 -1.55 0.09 0.00 1.00 0.00 0.00 64.86 64.38 3haz h ILE 105 Cb 0.31 1.53 -0.08 0.00 -0.74 0.00 0.00 36.82 37.85 3haz h ILE 105 CO 0.02 0.51 -0.01 -0.74 0.00 0.00 0.00 178.15 177.93 3haz h HIS 106 N 0.60 -0.05 -0.68 1.37 2.76 -1.91 0.25 115.15 117.48 3haz h HIS 106 Ca 0.04 0.03 -0.04 0.00 -2.20 0.00 0.00 60.37 58.21 3haz h HIS 106 Cb 0.96 0.09 -0.03 0.00 1.55 0.00 0.00 27.41 29.99 3haz h HIS 106 CO 0.07 -0.11 0.27 0.45 -1.30 0.00 0.00 177.93 177.31 3haz h HIS 107 N 0.10 1.03 -0.43 5.26 3.86 -0.83 0.98 115.15 125.13 3haz h HIS 107 Ca 0.23 -0.08 -0.10 0.00 -1.16 0.00 0.00 60.37 59.26 3haz h HIS 107 Cb 0.34 -0.31 -0.01 0.00 1.06 0.00 0.00 27.41 28.49 3haz h HIS 107 CO -0.31 0.80 -0.14 1.49 0.86 0.00 0.00 177.93 180.63 3haz h GLU 108 N 0.96 0.85 -0.14 2.45 4.81 -0.98 -1.40 114.58 121.13 3haz h GLU 108 Ca 0.23 -0.34 -0.03 0.00 -0.13 0.00 0.00 59.36 59.08 3haz h GLU 108 Cb 0.20 -0.04 -0.00 0.00 0.63 0.00 0.00 28.75 29.54 3haz h GLU 108 CO -0.02 0.98 -0.05 1.15 -0.73 0.00 0.00 179.01 180.34 3haz h THR 109 N 0.67 1.30 -0.40 0.32 2.02 -0.35 -2.67 112.91 113.81 3haz h THR 109 Ca 0.10 -1.04 -0.04 0.00 0.77 0.00 0.00 66.41 66.21 3haz h THR 109 Cb 0.69 1.70 -0.02 0.00 -1.74 0.00 0.00 68.15 68.78 3haz h THR 109 CO 0.05 0.30 0.09 0.11 0.37 0.00 0.00 175.52 176.45 3haz h LYS 110 N -0.04 0.65 -0.30 6.66 1.79 -0.81 -0.28 116.57 124.25 3haz h LYS 110 Ca 0.03 -0.16 -0.07 0.00 -2.18 0.00 0.00 60.65 58.27 3haz h LYS 110 Cb 0.49 -0.08 -0.02 0.00 -1.58 0.00 0.00 32.23 31.04 3haz h LYS 110 CO 0.02 0.67 -0.13 0.66 -1.08 0.00 0.00 179.45 179.59 3haz h SER 111 N 0.51 0.49 -0.04 0.86 4.64 -1.31 -1.09 113.55 117.61 3haz h SER 111 Ca 0.13 -0.13 -0.25 0.00 -0.47 0.00 0.00 61.79 61.06 3haz h SER 111 Cb 0.32 -0.13 0.02 0.00 -0.31 0.00 0.00 62.40 62.30 3haz h SER 111 CO 0.00 0.65 -0.96 0.74 -0.87 0.00 0.00 176.83 176.39 3haz h THR 112 N 0.47 1.28 -0.65 2.95 2.02 -1.30 -3.16 112.91 114.51 3haz h THR 112 Ca 0.09 -2.17 0.03 0.00 0.77 0.00 0.00 66.41 65.12 3haz h THR 112 Cb 0.51 2.30 -0.04 0.00 -1.74 0.00 0.00 68.15 69.18 3haz h THR 112 CO 0.03 0.67 0.43 0.00 0.37 0.00 0.00 175.52 177.03 3haz h ALA 113 N 0.43 1.61 -0.98 6.16 0.00 -0.83 -2.30 119.26 123.36 3haz h ALA 113 Ca -0.11 -0.04 0.26 0.00 0.00 0.00 0.00 54.91 55.02 3haz h ALA 113 Cb 1.61 -0.23 -0.06 0.00 0.00 0.00 0.00 17.79 19.11 3haz h ALA 113 CO 0.19 0.33 0.67 0.35 0.00 0.00 0.00 179.25 180.79 3haz h PHE 114 N 0.81 0.33 0.00 0.00 3.57 -1.17 0.23 116.94 120.72 3haz h PHE 114 Ca 0.26 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.72 3haz h PHE 114 Cb 0.02 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 38.66 3haz h PHE 114 CO -0.00 0.06 -0.20 -0.07 -2.23 0.00 0.00 178.31 175.87 3haz h LEU 115 N 0.22 0.00 0.00 0.59 3.38 -1.51 -3.12 115.31 114.87 3haz h LEU 115 Ca 0.50 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.47 3haz h LEU 115 Cb 1.57 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.32 3haz h LEU 115 CO -0.13 0.20 -1.35 1.33 0.09 0.00 0.00 178.44 178.58 3haz n VAL 116 N -4.11 0.00 -3.46 1.22 0.24 -0.38 -2.40 118.33 109.44 3haz n VAL 116 Ca -0.02 -0.22 -0.28 0.00 -2.04 0.00 0.00 64.34 61.78 3haz n VAL 116 Cb 0.27 0.34 -0.11 0.00 -1.47 0.00 0.00 33.84 32.87 3haz n VAL 116 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 3haz s ASN 117 N -2.98 2.33 0.30 -1.34 2.47 0.68 -5.00 114.94 111.40 3haz s ASN 117 Ca -0.03 -2.71 0.06 0.00 0.42 0.00 0.00 52.86 50.61 3haz s ASN 117 Cb 0.06 -0.51 0.75 0.00 -1.45 0.00 0.00 41.25 40.10 3haz s ASN 117 CO 0.39 -0.23 1.77 0.00 -3.72 0.00 0.00 177.10 175.31 3haz h ALA 118 N 6.27 1.67 -0.38 1.71 0.00 -1.77 0.09 119.26 126.85 3haz h ALA 118 Ca 0.16 0.08 0.08 0.00 0.00 0.00 0.00 54.91 55.23 3haz h ALA 118 Cb 0.93 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 3haz h ALA 118 CO 0.35 -0.07 0.26 0.77 0.00 0.00 0.00 179.25 180.56 3haz h SER 119 N 0.75 0.16 -0.59 0.00 0.02 -1.94 -2.82 113.55 109.12 3haz h SER 119 Ca 0.59 0.00 0.11 0.00 -0.84 0.00 0.00 61.79 61.64 3haz h SER 119 Cb 0.93 -0.03 -0.08 0.00 0.14 0.00 0.00 62.40 63.35 3haz h SER 119 CO -0.39 0.10 0.16 0.00 -1.14 0.00 0.00 176.83 175.55 3haz h ALA 120 N 1.80 0.72 -3.23 3.77 0.00 -1.31 -3.40 119.26 117.62 3haz h ALA 120 Ca 0.17 0.11 -0.60 0.00 0.00 0.00 0.00 54.91 54.60 3haz h ALA 120 Cb 0.47 0.14 -0.12 0.00 0.00 0.00 0.00 17.79 18.28 3haz h ALA 120 CO -0.03 -0.27 -0.48 -0.46 0.00 0.00 0.00 179.25 178.01 3haz s TRP 121 N -6.10 3.42 0.21 0.00 -0.11 -1.06 -5.01 118.94 110.28 3haz s TRP 121 Ca -0.13 0.36 0.00 0.00 1.22 0.00 0.00 56.10 57.55 3haz s TRP 121 Cb 0.17 -2.16 0.00 0.00 -1.50 0.00 0.00 33.47 29.98 3haz s TRP 121 CO 0.74 0.31 0.00 0.00 -4.62 0.00 0.00 176.95 173.38 3haz n ALA 122 N 3.44 1.19 0.00 5.86 0.00 -1.26 -5.00 120.51 124.75 3haz n ALA 122 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.28 3haz n ALA 122 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 3haz n ALA 122 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3haz n ARG 128 N -3.00 0.00 -3.73 0.00 1.74 -1.26 -5.13 116.66 105.29 3haz n ARG 128 Ca 0.00 0.00 -0.35 0.00 -0.77 0.00 0.00 57.85 56.73 3haz n ARG 128 Cb 0.00 0.00 -0.08 0.00 -1.02 0.00 0.00 32.46 31.36 3haz n ARG 128 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3haz s VAL 129 N -2.45 5.41 -0.24 1.55 0.11 -1.26 -5.08 120.40 118.45 3haz s VAL 129 Ca 0.00 0.21 -0.18 0.00 -2.93 0.00 0.00 61.98 59.08 3haz s VAL 129 Cb 0.00 -3.48 -0.03 0.00 -1.53 0.00 0.00 36.38 31.34 3haz s VAL 129 CO 0.00 0.45 0.52 -0.63 -3.33 0.00 0.00 175.10 172.10 3haz s ILE 130 N 0.30 5.08 0.38 7.04 1.01 -1.26 -5.06 121.20 128.70 3haz s ILE 130 Ca 0.09 0.91 -0.24 0.00 0.00 0.00 0.00 60.65 61.41 3haz s ILE 130 Cb -0.11 -3.84 -0.09 0.00 0.01 0.00 0.00 42.46 38.43 3haz s ILE 130 CO -0.01 0.12 1.02 0.00 0.00 0.00 0.00 174.94 176.07 3haz s GLN 131 N 2.05 4.27 0.58 2.79 1.03 -1.26 -5.02 119.66 124.09 3haz s GLN 131 Ca 0.22 1.46 -0.19 0.00 0.04 0.00 0.00 55.36 56.90 3haz s GLN 131 Cb -0.15 -2.59 -0.04 0.00 0.03 0.00 0.00 33.01 30.25 3haz s GLN 131 CO 0.09 -0.04 1.16 -1.25 -2.54 0.00 0.00 175.29 172.71 3haz s PRO 132 N -2.42 3.12 -0.68 9.60 0.04 -1.26 -4.06 135.00 139.34 3haz s PRO 132 Ca 0.56 1.66 0.00 0.00 0.04 0.00 0.00 61.00 63.27 3haz s PRO 132 Cb -0.21 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 32.37 3haz s PRO 132 CO 0.26 -1.05 0.00 0.41 0.04 0.00 0.00 177.00 176.66 3haz n GLY 133 N 0.21 0.08 3.74 0.56 0.00 -1.26 -5.00 105.19 103.52 3haz n GLY 133 Ca 0.12 -0.56 -0.41 0.00 0.00 0.00 0.00 46.02 45.17 3haz n GLY 133 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3haz s GLU 134 N -4.33 4.47 -0.02 1.61 2.12 -1.26 -4.95 118.70 116.34 3haz s GLU 134 Ca 0.00 1.93 -0.30 0.00 0.36 0.00 0.00 54.97 56.96 3haz s GLU 134 Cb 0.00 -3.22 -0.07 0.00 0.26 0.00 0.00 34.13 31.10 3haz s GLU 134 CO 0.00 -0.12 1.80 0.99 -0.54 0.00 0.00 175.26 177.39 3haz s THR 135 N -0.10 3.34 -0.79 -1.70 2.01 -1.26 -4.87 115.64 112.26 3haz s THR 135 Ca 0.53 0.40 -0.26 0.00 0.31 0.00 0.00 61.69 62.68 3haz s THR 135 Cb -0.34 -3.27 -0.10 0.00 0.01 0.00 0.00 72.50 68.81 3haz s THR 135 CO 0.38 -0.04 2.22 -2.84 -0.69 0.00 0.00 174.62 173.65 3haz s PRO 136 N 4.28 2.01 0.47 4.92 0.02 -1.26 -4.92 135.00 140.53 3haz s PRO 136 Ca 0.80 0.31 0.03 0.00 0.02 0.00 0.00 61.00 62.16 3haz s PRO 136 Cb -0.37 -4.84 -0.04 0.00 0.02 0.00 0.00 34.50 29.27 3haz s PRO 136 CO 0.35 -3.91 0.01 0.16 -0.33 0.00 0.00 177.00 173.28 3haz s ASP 137 N 9.88 3.95 0.00 2.53 1.47 -1.26 -3.96 116.67 129.28 3haz s ASP 137 Ca 0.84 -1.56 0.00 0.00 1.18 0.00 0.00 52.55 53.01 3haz s ASP 137 Cb -0.11 0.22 0.00 0.00 -0.34 0.00 0.00 42.92 42.69 3haz s ASP 137 CO 0.07 -0.73 0.00 0.61 0.68 0.00 0.00 175.17 175.80 3haz n GLY 138 N -1.14 -1.25 0.34 2.12 0.00 -1.26 -1.93 105.19 102.06 3haz n GLY 138 Ca -0.14 -1.60 -0.01 0.00 0.00 0.00 0.00 46.02 44.27 3haz n GLY 138 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3haz h THR 139 N 0.00 1.20 0.13 2.61 2.02 -1.90 -0.93 112.91 116.05 3haz h THR 139 Ca 0.00 -0.50 -0.26 0.00 0.77 0.00 0.00 66.41 66.42 3haz h THR 139 Cb 0.00 0.26 0.03 0.00 -1.74 0.00 0.00 68.15 66.70 3haz h THR 139 CO 0.00 0.22 -1.08 0.40 0.37 0.00 0.00 175.52 175.43 3haz h ILE 140 N 0.96 1.36 -0.37 3.11 2.04 -1.85 -2.45 117.51 120.31 3haz h ILE 140 Ca 0.25 -2.46 0.06 0.00 1.00 0.00 0.00 64.86 63.71 3haz h ILE 140 Cb 0.01 2.87 -0.05 0.00 -0.74 0.00 0.00 36.82 38.91 3haz h ILE 140 CO -0.04 0.73 0.05 1.23 0.00 0.00 0.00 178.15 180.12 3haz h GLY 141 N 0.04 0.41 0.98 5.37 0.00 -1.23 0.34 103.07 108.98 3haz h GLY 141 Ca -0.17 -0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.10 3haz h GLY 141 CO 0.21 -0.05 0.07 3.21 0.00 0.00 0.00 176.54 179.98 3haz h ARG 142 N 0.16 0.82 -0.44 4.80 3.08 -1.24 -0.31 114.38 121.25 3haz h ARG 142 Ca 0.18 -0.22 0.06 0.00 0.07 0.00 0.00 59.98 60.07 3haz h ARG 142 Cb 0.22 -0.09 -0.05 0.00 0.08 0.00 0.00 29.97 30.13 3haz h ARG 142 CO -0.26 0.82 0.14 1.25 -1.07 0.00 0.00 179.97 180.85 3haz h LEU 143 N 0.69 0.12 -1.09 3.04 5.85 -1.06 -0.83 115.31 122.03 3haz h LEU 143 Ca 0.15 0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.92 3haz h LEU 143 Cb 0.40 0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.45 3haz h LEU 143 CO 0.01 0.10 0.46 0.58 -0.34 0.00 0.00 178.44 179.25 3haz h VAL 144 N 0.30 1.23 -0.34 1.05 2.07 0.21 -0.09 116.25 120.67 3haz h VAL 144 Ca 0.21 -0.52 -0.12 0.00 0.82 0.00 0.00 66.70 67.08 3haz h VAL 144 Cb 0.22 0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 30.11 3haz h VAL 144 CO -0.23 0.24 -0.29 0.50 0.02 0.00 0.00 177.57 177.81 3haz h LYS 145 N 1.10 0.73 0.07 1.57 3.64 -0.47 0.36 116.57 123.57 3haz h LYS 145 Ca 0.28 -0.32 -0.17 0.00 -1.27 0.00 0.00 60.65 59.18 3haz h LYS 145 Cb -0.01 -0.02 0.02 0.00 -0.41 0.00 0.00 32.23 31.80 3haz h LYS 145 CO -0.05 0.93 -0.69 -0.09 -2.27 0.00 0.00 179.45 177.28 3haz h ARG 146 N 0.62 0.35 0.00 1.90 2.43 -0.82 -3.39 114.38 115.46 3haz h ARG 146 Ca 0.07 -0.47 -0.16 0.00 -0.81 0.00 0.00 59.98 58.62 3haz h ARG 146 Cb 0.80 0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 30.48 3haz h ARG 146 CO 0.07 1.17 -2.00 1.28 -1.51 0.00 0.00 179.97 178.97 3haz n LEU 147 N -4.18 0.00 0.00 3.80 4.77 -0.08 -5.11 117.00 116.21 3haz n LEU 147 Ca -0.12 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.86 3haz n LEU 147 Cb 0.74 0.21 0.00 0.00 -2.33 0.00 0.00 43.42 42.04 3haz n LEU 147 CO 0.47 0.21 0.00 0.61 -1.33 0.00 0.00 177.39 177.36 3haz n GLY 148 N 1.72 1.29 0.28 -0.72 0.00 0.13 -4.54 105.19 103.34 3haz n GLY 148 Ca -0.16 -1.66 -0.05 0.00 0.00 0.00 0.00 46.02 44.16 3haz n GLY 148 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3haz h ALA 149 N 0.00 0.89 -0.79 4.61 0.00 -1.87 -2.75 119.26 119.36 3haz h ALA 149 Ca 0.00 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 54.88 3haz h ALA 149 Cb 0.00 -0.28 -0.05 0.00 0.00 0.00 0.00 17.79 17.46 3haz h ALA 149 CO 0.00 0.33 0.50 -1.35 0.00 0.00 0.00 179.25 178.74 3haz h PRO 150 N 0.95 0.94 -0.33 0.00 0.11 -1.95 -1.63 132.00 130.09 3haz h PRO 150 Ca 0.26 -0.06 -0.08 0.00 0.11 0.00 0.00 66.00 66.23 3haz h PRO 150 Cb -0.08 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 30.80 3haz h PRO 150 CO -0.05 0.62 -0.15 0.00 -0.21 0.00 0.00 178.00 178.21 3haz h ALA 151 N 1.34 1.13 -0.62 -0.75 0.00 -1.76 -2.14 119.26 116.46 3haz h ALA 151 Ca 0.32 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 3haz h ALA 151 Cb 0.03 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 3haz h ALA 151 CO -0.12 0.54 0.33 0.28 0.00 0.00 0.00 179.25 180.29 3haz h VAL 152 N 0.53 1.20 -0.50 0.00 2.07 -1.07 0.73 116.25 119.22 3haz h VAL 152 Ca 0.09 -0.53 0.04 0.00 0.82 0.00 0.00 66.70 67.12 3haz h VAL 152 Cb 0.56 0.41 -0.04 0.00 -1.52 0.00 0.00 31.29 30.70 3haz h VAL 152 CO 0.04 0.22 0.27 0.03 0.02 0.00 0.00 177.57 178.15 3haz h ARG 153 N 0.85 0.51 -0.50 1.57 3.08 -0.95 0.62 114.38 119.55 3haz h ARG 153 Ca 0.22 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.22 3haz h ARG 153 Cb 0.06 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 29.97 3haz h ARG 153 CO -0.03 0.34 0.26 1.15 -1.07 0.00 0.00 179.97 180.62 3haz h THR 154 N 0.52 1.18 -0.95 2.04 2.02 -0.88 -0.58 112.91 116.26 3haz h THR 154 Ca 0.21 -0.47 -0.00 0.00 0.77 0.00 0.00 66.41 66.92 3haz h THR 154 Cb 0.09 0.58 -0.05 0.00 -1.74 0.00 0.00 68.15 67.03 3haz h THR 154 CO -0.13 0.19 0.58 0.00 0.37 0.00 0.00 175.52 176.53 3haz h ALA 155 N 1.10 1.21 -0.36 6.16 0.00 -0.54 -1.50 119.26 125.33 3haz h ALA 155 Ca 0.17 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 3haz h ALA 155 Cb 0.07 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 3haz h ALA 155 CO -0.03 0.65 0.02 1.15 0.00 0.00 0.00 179.25 181.04 3haz h THR 156 N 1.30 1.25 -0.95 0.00 2.02 -0.42 -0.23 112.91 115.89 3haz h THR 156 Ca 0.34 -0.94 0.01 0.00 0.77 0.00 0.00 66.41 66.59 3haz h THR 156 Cb -0.08 1.16 -0.05 0.00 -1.74 0.00 0.00 68.15 67.44 3haz h THR 156 CO -0.07 0.31 0.62 0.03 0.37 0.00 0.00 175.52 176.78 3haz h ARG 157 N 0.44 1.25 -0.61 6.66 3.08 -0.94 0.02 114.38 124.28 3haz h ARG 157 Ca 0.10 -0.08 -0.06 0.00 0.07 0.00 0.00 59.98 60.01 3haz h ARG 157 Cb 0.43 -0.28 -0.03 0.00 0.08 0.00 0.00 29.97 30.17 3haz h ARG 157 CO 0.01 0.84 0.14 0.37 -1.07 0.00 0.00 179.97 180.26 3haz h GLN 158 N 1.29 0.96 -0.47 0.04 4.15 -1.01 -2.14 115.11 117.93 3haz h GLN 158 Ca 0.35 -0.21 -0.06 0.00 0.77 0.00 0.00 58.65 59.49 3haz h GLN 158 Cb -0.13 -0.13 -0.02 0.00 0.21 0.00 0.00 27.48 27.40 3haz h GLN 158 CO -0.07 0.86 0.03 0.00 -1.93 0.00 0.00 178.83 177.72 3haz h ALA 159 N 1.24 1.18 -0.60 3.38 0.00 -0.21 -2.02 119.26 122.22 3haz h ALA 159 Ca 0.20 -0.24 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 3haz h ALA 159 Cb 0.34 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 3haz h ALA 159 CO 0.00 0.54 0.18 0.52 0.00 0.00 0.00 179.25 180.49 3haz h MET 160 N 0.72 0.92 -0.67 0.00 2.86 -0.59 0.18 114.93 118.34 3haz h MET 160 Ca 0.15 -0.18 -0.06 0.00 -2.06 0.00 0.00 59.70 57.54 3haz h MET 160 Cb 0.39 -0.14 -0.03 0.00 0.06 0.00 0.00 31.60 31.88 3haz h MET 160 CO 0.01 0.80 0.18 -0.09 1.06 0.00 0.00 176.91 178.87 3haz h ARG 161 N 0.89 1.06 -0.08 1.72 2.43 -0.98 -1.22 114.38 118.20 3haz h ARG 161 Ca 0.20 -0.25 -0.02 0.00 -0.81 0.00 0.00 59.98 59.10 3haz h ARG 161 Cb 0.27 -0.14 -0.00 0.00 -0.42 0.00 0.00 29.97 29.68 3haz h ARG 161 CO -0.01 0.94 -0.05 -0.07 -1.51 0.00 0.00 179.97 179.28 3haz h LEU 162 N 0.99 0.17 -0.99 3.80 3.38 -0.74 -1.33 115.31 120.60 3haz h LEU 162 Ca 0.21 -0.44 -0.01 0.00 0.09 0.00 0.00 57.88 57.74 3haz h LEU 162 Cb 0.34 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 41.00 3haz h LEU 162 CO -0.00 0.57 0.51 0.24 0.09 0.00 0.00 178.44 179.85 3haz h MET 163 N -0.22 1.21 -0.00 1.13 2.86 -0.63 0.01 114.93 119.29 3haz h MET 163 Ca 0.02 -0.12 -0.18 0.00 -2.06 0.00 0.00 59.70 57.36 3haz h MET 163 Cb 0.51 -0.25 -0.02 0.00 0.06 0.00 0.00 31.60 31.91 3haz h MET 163 CO 0.01 0.87 -0.82 0.78 1.06 0.00 0.00 176.91 178.81 3haz h GLY 164 N 1.24 0.09 0.96 8.32 0.00 -1.21 -3.13 103.07 109.34 3haz h GLY 164 Ca 0.31 -0.16 -0.30 0.00 0.00 0.00 0.00 47.33 47.18 3haz h GLY 164 CO -0.06 0.14 -1.73 3.43 0.00 0.00 0.00 176.54 178.33 3haz h ASN 165 N 0.05 0.10 -0.02 0.19 2.35 -0.94 -3.41 115.58 113.90 3haz h ASN 165 Ca -0.02 -0.22 0.00 0.00 -0.55 0.00 0.00 56.30 55.51 3haz h ASN 165 Cb 1.43 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 39.77 3haz h ASN 165 CO 0.11 1.19 0.00 1.41 -1.65 0.00 0.00 177.43 178.50 3haz n HIS 166 N -3.16 0.02 -4.29 1.19 8.25 -0.04 -4.96 115.22 112.23 3haz n HIS 166 Ca -0.19 -0.02 -0.19 0.00 -0.26 0.00 0.00 57.72 57.05 3haz n HIS 166 Cb 1.05 -0.00 -0.13 0.00 1.12 0.00 0.00 29.99 32.03 3haz n HIS 166 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 3haz s PHE 167 N -0.74 1.24 -0.38 4.41 0.08 -1.18 -4.27 117.98 117.13 3haz s PHE 167 Ca 0.10 -0.39 -0.02 0.00 0.12 0.00 0.00 56.93 56.74 3haz s PHE 167 Cb 0.07 -0.72 0.10 0.00 -0.57 0.00 0.00 43.02 41.90 3haz s PHE 167 CO 0.11 0.05 0.15 0.08 -0.10 0.00 0.00 175.22 175.51 3haz s VAL 168 N -1.01 3.19 0.10 -0.44 1.01 0.61 -4.75 120.40 119.10 3haz s VAL 168 Ca 0.00 -1.92 0.07 0.00 0.00 0.00 0.00 61.98 60.13 3haz s VAL 168 Cb -0.09 -3.12 -0.03 0.00 0.00 0.00 0.00 36.38 33.14 3haz s VAL 168 CO 0.02 -0.56 -0.18 -0.76 0.00 0.00 0.00 175.10 173.62 3haz s LEU 169 N 1.15 2.32 0.18 3.92 1.02 -1.26 -1.32 118.68 124.69 3haz s LEU 169 Ca 0.06 -0.70 -0.21 0.00 0.02 0.00 0.00 54.13 53.30 3haz s LEU 169 Cb -0.22 -0.73 0.05 0.00 0.02 0.00 0.00 46.19 45.31 3haz s LEU 169 CO -0.04 -0.01 0.57 -0.83 0.02 0.00 0.00 176.35 176.06 3haz s GLY 170 N -2.00 -0.42 0.42 -3.19 0.00 -0.91 -4.34 107.32 96.88 3haz s GLY 170 Ca 0.05 0.20 0.13 0.00 0.00 0.00 0.00 44.72 45.10 3haz s GLY 170 CO 0.04 -0.01 1.97 0.83 0.00 0.00 0.00 173.10 175.93 3haz h GLU 171 N 2.08 0.45 -5.07 2.90 5.08 -1.94 -1.49 114.58 116.60 3haz h GLU 171 Ca -0.31 -0.03 -0.39 0.00 -1.00 0.00 0.00 59.36 57.63 3haz h GLU 171 Cb 1.29 -0.10 -0.14 0.00 0.50 0.00 0.00 28.75 30.29 3haz h GLU 171 CO 0.37 0.30 -0.64 0.95 -1.00 0.00 0.00 179.01 179.00 3haz s THR 172 N -5.44 0.96 0.26 1.13 -4.23 -1.26 -4.38 115.64 102.68 3haz s THR 172 Ca -0.08 -2.02 -0.03 0.00 -1.18 0.00 0.00 61.69 58.38 3haz s THR 172 Cb 0.20 -2.52 0.17 0.00 1.34 0.00 0.00 72.50 71.69 3haz s THR 172 CO 0.75 -0.17 1.83 -0.29 -0.54 0.00 0.00 174.62 176.20 3haz h ILE 173 N 2.37 1.24 -0.99 2.99 6.09 -1.88 -1.97 117.51 125.35 3haz h ILE 173 Ca -0.39 -0.77 0.06 0.00 -1.37 0.00 0.00 64.86 62.39 3haz h ILE 173 Cb 1.23 0.48 -0.07 0.00 0.47 0.00 0.00 36.82 38.94 3haz h ILE 173 CO 0.65 0.30 0.64 -0.33 -3.07 0.00 0.00 178.15 176.34 3haz h GLU 174 N 0.95 1.13 -0.33 2.19 3.07 -1.96 0.17 114.58 119.80 3haz h GLU 174 Ca 0.22 -0.07 -0.13 0.00 -0.50 0.00 0.00 59.36 58.88 3haz h GLU 174 Cb 0.23 -0.26 -0.01 0.00 -0.84 0.00 0.00 28.75 27.87 3haz h GLU 174 CO -0.01 0.75 -0.29 0.37 -1.40 0.00 0.00 179.01 178.43 3haz h GLN 175 N 1.17 0.77 0.33 2.33 4.15 -1.79 -1.59 115.11 120.49 3haz h GLN 175 Ca 0.42 -0.39 -0.02 0.00 0.77 0.00 0.00 58.65 59.43 3haz h GLN 175 Cb 0.14 0.01 0.00 0.00 0.21 0.00 0.00 27.48 27.84 3haz h GLN 175 CO -0.16 1.02 -0.16 0.00 -1.93 0.00 0.00 178.83 177.59 3haz h ALA 176 N 0.74 -0.45 -0.81 3.38 0.00 -0.83 -1.65 119.26 119.64 3haz h ALA 176 Ca 0.06 -0.10 0.08 0.00 0.00 0.00 0.00 54.91 54.95 3haz h ALA 176 Cb 0.86 0.17 -0.07 0.00 0.00 0.00 0.00 17.79 18.75 3haz h ALA 176 CO 0.07 -0.75 0.47 -0.07 0.00 0.00 0.00 179.25 178.97 3haz h LEU 177 N -0.45 0.69 -0.28 0.00 3.38 -0.98 -0.25 115.31 117.41 3haz h LEU 177 Ca -0.05 0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3haz h LEU 177 Cb 0.34 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 3haz h LEU 177 CO 0.07 0.41 0.19 -0.08 0.09 0.00 0.00 178.44 179.12 3haz h GLU 178 N 0.81 0.37 -0.05 1.13 4.57 -1.12 -2.12 114.58 118.17 3haz h GLU 178 Ca 0.38 -0.02 -0.02 0.00 -1.18 0.00 0.00 59.36 58.51 3haz h GLU 178 Cb 0.30 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 28.80 3haz h GLU 178 CO -0.22 0.25 -0.07 0.00 -1.18 0.00 0.00 179.01 177.78 3haz h ARG 179 N 0.38 0.07 -0.00 1.92 3.08 -0.55 -2.64 114.38 116.64 3haz h ARG 179 Ca 0.10 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.14 3haz h ARG 179 Cb -0.04 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.00 3haz h ARG 179 CO -0.02 0.15 -0.04 0.41 -1.07 0.00 0.00 179.97 179.40 3haz n GLY 180 N -1.23 -0.95 3.77 0.04 0.00 -0.18 -4.92 105.19 101.72 3haz n GLY 180 Ca -0.02 -0.23 -0.38 0.00 0.00 0.00 0.00 46.02 45.39 3haz n GLY 180 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3haz s LYS 181 N -2.31 3.73 0.98 1.61 1.02 -1.00 -5.05 119.74 118.73 3haz s LYS 181 Ca 0.36 1.93 -0.16 0.00 0.02 0.00 0.00 55.97 58.12 3haz s LYS 181 Cb 0.21 -2.48 0.21 0.00 -0.52 0.00 0.00 37.83 35.25 3haz s LYS 181 CO 0.43 -0.62 1.33 -2.14 -0.92 0.00 0.00 175.35 173.43 3haz s PRO 182 N -2.59 0.49 0.03 -1.68 0.02 -1.26 -5.04 135.00 124.97 3haz s PRO 182 Ca 0.63 -0.51 -0.13 0.00 0.02 0.00 0.00 61.00 61.02 3haz s PRO 182 Cb -0.33 -1.85 -0.06 0.00 0.02 0.00 0.00 34.50 32.29 3haz s PRO 182 CO 0.40 -2.50 1.20 0.07 -0.33 0.00 0.00 177.00 175.84 3haz h ARG 183 N -1.69 -0.33 0.00 5.54 -0.00 -1.94 -3.47 114.38 112.49 3haz h ARG 183 Ca -0.44 0.02 0.00 0.00 -0.00 0.00 0.00 59.98 59.56 3haz h ARG 183 Cb 1.22 0.07 0.00 0.00 -0.00 0.00 0.00 29.97 31.27 3haz h ARG 183 CO 0.34 -0.22 0.00 0.45 -0.00 0.00 0.00 179.97 180.54 3haz n SER 184 N -3.43 0.00 -1.99 0.08 2.88 -1.26 -4.93 113.62 104.97 3haz n SER 184 Ca -0.04 0.00 -0.19 0.00 -1.33 0.00 0.00 58.87 57.31 3haz n SER 184 Cb 0.16 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.58 3haz n SER 184 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3haz n GLY 185 N 0.00 0.60 3.47 0.46 0.00 -1.26 -4.96 105.19 103.49 3haz n GLY 185 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 3haz n GLY 185 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3haz s GLN 186 N -4.35 2.13 0.43 1.61 -0.21 -1.26 -5.10 119.66 112.92 3haz s GLN 186 Ca 0.00 -0.94 -0.17 0.00 0.02 0.00 0.00 55.36 54.26 3haz s GLN 186 Cb 0.00 -2.22 -0.09 0.00 1.00 0.00 0.00 33.01 31.70 3haz s GLN 186 CO 0.00 0.55 0.89 -1.59 -2.12 0.00 0.00 175.29 173.02 3haz s LYS 187 N -1.38 4.05 0.00 2.91 0.00 -1.26 -4.77 119.74 119.29 3haz s LYS 187 Ca 0.15 0.90 -0.30 0.00 0.00 0.00 0.00 55.97 56.71 3haz s LYS 187 Cb -0.11 -2.25 -0.04 0.00 0.00 0.00 0.00 37.83 35.43 3haz s LYS 187 CO 0.05 -0.05 1.19 -0.08 0.00 0.00 0.00 175.35 176.45 3haz s THR 188 N -2.28 4.20 -0.93 3.79 -1.32 -0.58 -4.91 115.64 113.62 3haz s THR 188 Ca 0.58 1.56 0.03 0.00 -1.21 0.00 0.00 61.69 62.65 3haz s THR 188 Cb -0.10 -4.00 0.17 0.00 -1.51 0.00 0.00 72.50 67.06 3haz s THR 188 CO 0.21 0.06 0.78 -2.11 -2.21 0.00 0.00 174.62 171.35 3haz n ARG 189 N 4.54 1.77 -3.81 7.08 0.00 -1.26 -4.82 116.66 120.16 3haz n ARG 189 Ca 0.10 -0.64 -0.12 0.00 -0.00 0.00 0.00 57.85 57.18 3haz n ARG 189 Cb 0.47 -1.62 -0.12 0.00 -0.00 0.00 0.00 32.46 31.19 3haz n ARG 189 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.63 178.34 3haz s TYR 190 N -1.39 -0.20 0.54 2.89 2.02 -1.26 -4.72 117.35 115.23 3haz s TYR 190 Ca 0.11 0.49 -0.02 0.00 -0.37 0.00 0.00 57.07 57.28 3haz s TYR 190 Cb 0.08 0.07 0.02 0.00 -0.40 0.00 0.00 41.96 41.73 3haz s TYR 190 CO 0.03 -0.13 0.80 -1.12 -1.57 0.00 0.00 175.55 173.57 3haz s SER 191 N -0.03 5.51 -0.31 2.29 0.01 0.33 -4.76 113.70 116.74 3haz s SER 191 Ca -0.01 0.35 -0.08 0.00 1.31 0.00 0.00 55.95 57.52 3haz s SER 191 Cb -0.02 -1.37 0.01 0.00 0.21 0.00 0.00 66.02 64.85 3haz s SER 191 CO 0.00 -1.02 0.12 -0.36 0.41 0.00 0.00 173.24 172.39 3haz s PHE 192 N -2.81 3.17 -0.76 2.43 0.40 0.29 -0.55 117.98 120.15 3haz s PHE 192 Ca 0.53 -0.85 -0.19 0.00 -0.60 0.00 0.00 56.93 55.82 3haz s PHE 192 Cb -0.10 -2.30 0.12 0.00 0.51 0.00 0.00 43.02 41.24 3haz s PHE 192 CO 0.41 -0.55 0.93 0.34 0.70 0.00 0.00 175.22 177.05 3haz s ASP 193 N 1.54 6.41 0.21 1.36 2.15 0.16 -0.85 116.67 127.64 3haz s ASP 193 Ca 0.03 -1.70 -0.30 0.00 0.43 0.00 0.00 52.55 51.01 3haz s ASP 193 Cb -0.17 -2.35 -0.09 0.00 -0.30 0.00 0.00 42.92 40.00 3haz s ASP 193 CO 0.04 -1.11 1.32 -0.04 -0.17 0.00 0.00 175.17 175.21 3haz s MET 194 N 2.71 4.38 0.47 4.34 -1.94 -1.25 -1.88 119.30 126.14 3haz s MET 194 Ca 0.22 2.07 0.21 0.00 -1.71 0.00 0.00 55.69 56.49 3haz s MET 194 Cb -0.14 -3.19 1.17 0.00 2.01 0.00 0.00 34.83 34.68 3haz s MET 194 CO -0.00 -0.26 1.99 -0.07 -0.01 0.00 0.00 175.02 176.67 3haz h LEU 195 N 5.29 0.00 -9.83 -0.03 4.07 -1.73 -3.46 115.31 109.62 3haz h LEU 195 Ca -0.45 0.00 -0.54 0.00 0.08 0.00 0.00 57.88 56.98 3haz h LEU 195 Cb 1.21 0.00 0.09 0.00 1.08 0.00 0.00 40.66 43.05 3haz h LEU 195 CO 0.77 0.19 0.86 0.61 -1.08 0.00 0.00 178.44 179.78 3haz n GLY 196 N -0.69 1.31 3.30 0.83 0.00 -1.26 -4.81 105.19 103.87 3haz n GLY 196 Ca -0.02 0.42 -0.12 0.00 0.00 0.00 0.00 46.02 46.31 3haz n GLY 196 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3haz s GLU 197 N -0.91 0.90 -0.58 1.61 -1.05 -1.26 -4.65 118.70 112.76 3haz s GLU 197 Ca 0.61 -0.46 -0.19 0.00 -0.15 0.00 0.00 54.97 54.78 3haz s GLU 197 Cb -0.49 0.40 0.03 0.00 -0.44 0.00 0.00 34.13 33.62 3haz s GLU 197 CO 0.52 -0.31 0.64 0.41 0.95 0.00 0.00 175.26 177.48 3haz n GLY 198 N 0.44 -0.71 3.71 -3.83 0.00 -1.15 -4.72 105.19 98.93 3haz n GLY 198 Ca -0.18 0.96 -0.43 0.00 0.00 0.00 0.00 46.02 46.37 3haz n GLY 198 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3haz n ALA 199 N -1.04 2.52 -0.01 4.61 0.00 0.78 -4.88 120.51 122.49 3haz n ALA 199 Ca -0.09 0.41 0.08 0.00 0.00 0.00 0.00 53.44 53.83 3haz n ALA 199 Cb 0.62 -2.48 -0.14 0.00 0.00 0.00 0.00 19.45 17.44 3haz n ALA 199 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3haz n ARG 200 N 3.69 0.66 -4.23 0.00 3.00 -1.26 -4.16 116.66 114.35 3haz n ARG 200 Ca 0.16 -0.12 -0.13 0.00 -0.01 0.00 0.00 57.85 57.75 3haz n ARG 200 Cb 0.34 -1.57 -0.10 0.00 0.00 0.00 0.00 32.46 31.13 3haz n ARG 200 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.63 178.58 3haz s THR 201 N -3.34 1.05 0.23 0.55 -4.23 -1.26 -3.16 115.64 105.47 3haz s THR 201 Ca -0.07 -2.00 -0.07 0.00 -1.18 0.00 0.00 61.69 58.37 3haz s THR 201 Cb 0.12 -1.78 0.18 0.00 1.34 0.00 0.00 72.50 72.36 3haz s THR 201 CO 0.88 -0.76 1.79 0.00 -0.54 0.00 0.00 174.62 175.99 3haz h ALA 202 N 2.88 1.00 -0.41 3.99 0.00 -1.95 -1.36 119.26 123.41 3haz h ALA 202 Ca -0.36 0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.53 3haz h ALA 202 Cb 1.18 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.88 3haz h ALA 202 CO 0.63 -0.01 0.00 0.00 0.00 0.00 0.00 179.25 179.87 3haz h ALA 203 N 1.42 1.23 -0.38 0.00 0.00 -1.96 -2.01 119.26 117.56 3haz h ALA 203 Ca 0.35 -0.23 0.04 0.00 0.00 0.00 0.00 54.91 55.06 3haz h ALA 203 Cb 0.34 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 3haz h ALA 203 CO -0.25 0.51 0.15 -0.44 0.00 0.00 0.00 179.25 179.22 3haz h ASP 204 N 0.63 0.19 -0.64 0.00 3.32 -1.67 0.78 116.42 119.03 3haz h ASP 204 Ca 0.13 0.03 -0.04 0.00 0.02 0.00 0.00 57.03 57.17 3haz h ASP 204 Cb 0.39 0.01 -0.03 0.00 0.22 0.00 0.00 39.33 39.92 3haz h ASP 204 CO 0.01 0.15 0.26 0.00 -1.72 0.00 0.00 179.24 177.94 3haz h ALA 205 N 1.23 1.19 -0.27 3.45 0.00 -0.90 -0.19 119.26 123.77 3haz h ALA 205 Ca 0.17 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 3haz h ALA 205 Cb 0.13 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3haz h ALA 205 CO -0.16 0.58 -0.12 0.00 0.00 0.00 0.00 179.25 179.56 3haz h ARG 206 N 0.97 0.56 -0.63 0.00 3.08 -1.09 -2.26 114.38 115.02 3haz h ARG 206 Ca 0.23 -0.24 0.00 0.00 0.07 0.00 0.00 59.98 60.04 3haz h ARG 206 Cb 0.20 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.20 3haz h ARG 206 CO -0.02 0.80 0.40 -0.09 -1.07 0.00 0.00 179.97 179.99 3haz h ARG 207 N 0.31 0.84 -0.29 0.04 2.43 -0.36 -1.00 114.38 116.34 3haz h ARG 207 Ca 0.06 -0.06 -0.11 0.00 -0.81 0.00 0.00 59.98 59.06 3haz h ARG 207 Cb 0.63 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.98 3haz h ARG 207 CO 0.04 0.58 -0.29 1.88 -1.51 0.00 0.00 179.97 180.67 3haz h TYR 208 N 0.85 0.69 0.00 2.20 0.05 -1.06 -0.75 116.97 118.95 3haz h TYR 208 Ca 0.23 -0.17 0.02 0.00 0.05 0.00 0.00 58.73 58.86 3haz h TYR 208 Cb -0.06 -0.16 -0.03 0.00 1.01 0.00 0.00 36.73 37.49 3haz h TYR 208 CO -0.02 0.83 -0.12 0.35 -1.05 0.00 0.00 178.16 178.14 3haz h PHE 209 N 0.52 -0.30 -0.21 4.88 3.57 -0.96 -1.12 116.94 123.31 3haz h PHE 209 Ca 0.07 0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.51 3haz h PHE 209 Cb 0.77 0.13 -0.01 0.00 2.79 0.00 0.00 35.95 39.63 3haz h PHE 209 CO 0.03 -0.18 -0.17 -0.44 -2.23 0.00 0.00 178.31 175.32 3haz h ASP 210 N -0.20 0.36 -0.01 0.41 3.32 -0.97 -0.66 116.42 118.67 3haz h ASP 210 Ca 0.04 -0.09 -0.00 0.00 0.02 0.00 0.00 57.03 57.00 3haz h ASP 210 Cb 0.26 -0.09 -0.00 0.00 0.22 0.00 0.00 39.33 39.71 3haz h ASP 210 CO -0.12 0.55 0.00 0.00 -1.72 0.00 0.00 179.24 177.96 3haz h ALA 211 N 1.49 0.01 -0.22 3.45 0.00 -0.90 0.11 119.26 123.19 3haz h ALA 211 Ca 0.06 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 54.96 3haz h ALA 211 Cb 0.50 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.25 3haz h ALA 211 CO 0.03 -0.45 -0.02 1.88 0.00 0.00 0.00 179.25 180.70 3haz h TYR 212 N -0.08 -0.04 -0.45 0.00 0.05 -0.78 0.67 116.97 116.33 3haz h TYR 212 Ca 0.00 0.02 0.04 0.00 0.05 0.00 0.00 58.73 58.84 3haz h TYR 212 Cb 0.09 0.05 -0.04 0.00 1.01 0.00 0.00 36.73 37.84 3haz h TYR 212 CO -0.05 -0.05 0.22 0.00 -1.05 0.00 0.00 178.16 177.23 3haz h ALA 213 N 1.20 0.57 -0.10 3.88 0.00 -0.96 0.11 119.26 123.96 3haz h ALA 213 Ca 0.10 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 3haz h ALA 213 Cb 0.14 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 3haz h ALA 213 CO -0.19 -0.14 0.05 0.77 0.00 0.00 0.00 179.25 179.74 3haz h SER 214 N 0.43 0.13 -0.92 0.00 0.02 -0.49 -2.21 113.55 110.51 3haz h SER 214 Ca 0.20 -0.10 0.09 0.00 -0.84 0.00 0.00 61.79 61.15 3haz h SER 214 Cb 0.12 -0.03 -0.07 0.00 0.14 0.00 0.00 62.40 62.56 3haz h SER 214 CO -0.15 0.19 0.56 0.00 -1.14 0.00 0.00 176.83 176.29 3haz h ALA 215 N 0.94 1.32 -0.68 3.77 0.00 -0.40 0.08 119.26 124.29 3haz h ALA 215 Ca 0.03 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 3haz h ALA 215 Cb 0.09 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 3haz h ALA 215 CO -0.01 0.22 0.23 0.82 0.00 0.00 0.00 179.25 180.52 3haz h ILE 216 N 0.95 1.24 -0.29 0.00 2.04 -0.53 0.11 117.51 121.03 3haz h ILE 216 Ca 0.43 -0.81 -0.10 0.00 1.00 0.00 0.00 64.86 65.38 3haz h ILE 216 Cb 0.34 0.47 -0.01 0.00 -0.74 0.00 0.00 36.82 36.88 3haz h ILE 216 CO -0.23 0.32 -0.20 -0.33 0.00 0.00 0.00 178.15 177.71 3haz h GLU 217 N 1.00 0.64 -0.06 2.37 4.39 -0.68 0.89 114.58 123.12 3haz h GLU 217 Ca 0.23 -0.31 0.02 0.00 0.34 0.00 0.00 59.36 59.64 3haz h GLU 217 Cb 0.25 -0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.87 3haz h GLU 217 CO -0.01 0.90 -0.06 1.15 -1.16 0.00 0.00 179.01 179.83 3haz h THR 218 N 0.39 0.83 -0.66 1.13 2.02 -0.72 -1.57 112.91 114.32 3haz h THR 218 Ca 0.06 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.21 3haz h THR 218 Cb 0.74 0.83 -0.03 0.00 -1.74 0.00 0.00 68.15 67.95 3haz h THR 218 CO 0.05 0.00 0.30 0.40 0.37 0.00 0.00 175.52 176.65 3haz h ILE 219 N -0.07 1.23 -0.36 3.11 2.04 -0.78 -3.07 117.51 119.60 3haz h ILE 219 Ca 0.05 -0.65 -0.07 0.00 1.00 0.00 0.00 64.86 65.18 3haz h ILE 219 Cb 0.14 0.44 -0.02 0.00 -0.74 0.00 0.00 36.82 36.65 3haz h ILE 219 CO -0.11 0.27 -0.07 1.23 0.00 0.00 0.00 178.15 179.47 3haz h GLY 220 N 0.91 0.65 0.36 5.37 0.00 -0.59 -2.34 103.07 107.42 3haz h GLY 220 Ca 0.22 -0.43 0.00 0.00 0.00 0.00 0.00 47.33 47.12 3haz h GLY 220 CO -0.03 0.40 0.00 0.28 0.00 0.00 0.00 176.54 177.20 3haz n LYS 221 N -4.22 0.96 -2.71 4.80 5.02 -0.61 -3.47 118.16 117.93 3haz n LYS 221 Ca 0.01 0.00 -0.05 0.00 -2.02 0.00 0.00 58.31 56.26 3haz n LYS 221 Cb 0.31 -1.18 0.08 0.00 -0.02 0.00 0.00 35.03 34.22 3haz n LYS 221 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3haz n ALA 222 N -0.68 2.50 1.01 7.82 0.00 -0.90 -4.93 120.51 125.33 3haz n ALA 222 Ca 0.08 -2.03 0.11 0.00 0.00 0.00 0.00 53.44 51.60 3haz n ALA 222 Cb 0.04 -0.91 -0.02 0.00 0.00 0.00 0.00 19.45 18.56 3haz n ALA 222 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3haz n ALA 223 N -0.69 4.02 -0.01 0.00 0.00 -1.11 -1.52 120.51 121.20 3haz n ALA 223 Ca -0.01 -0.60 0.00 0.00 0.00 0.00 0.00 53.44 52.83 3haz n ALA 223 Cb 0.84 -0.82 -0.00 0.00 0.00 0.00 0.00 19.45 19.47 3haz n ALA 223 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3haz n GLY 224 N 1.45 -2.15 0.21 0.00 0.00 -1.26 -4.58 105.19 98.85 3haz n GLY 224 Ca 0.07 -1.46 0.02 0.00 0.00 0.00 0.00 46.02 44.65 3haz n GLY 224 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3haz n ASN 225 N 0.25 2.31 -4.90 1.61 5.03 -1.26 -5.02 115.26 113.29 3haz n ASN 225 Ca 0.00 -2.02 -0.29 0.00 0.87 0.00 0.00 54.58 53.14 3haz n ASN 225 Cb 0.00 -0.08 0.04 0.00 -1.02 0.00 0.00 39.78 38.72 3haz n ASN 225 CO 0.00 0.00 0.00 -1.00 -1.83 0.00 0.00 177.26 174.43 3haz s HIS 226 N -1.03 3.33 0.48 3.10 3.76 -1.26 -5.08 115.29 118.58 3haz s HIS 226 Ca 0.08 0.91 -0.01 0.00 -0.15 0.00 0.00 55.06 55.90 3haz s HIS 226 Cb 0.04 -2.89 -0.00 0.00 1.11 0.00 0.00 32.58 30.85 3haz s HIS 226 CO 0.05 -0.97 0.71 0.00 -0.85 0.00 0.00 174.74 173.68 3haz s ALA 227 N -3.18 3.70 0.47 -1.40 0.00 -1.26 -4.75 121.76 115.34 3haz s ALA 227 Ca 0.56 -1.02 -0.22 0.00 0.00 0.00 0.00 51.96 51.29 3haz s ALA 227 Cb -0.11 -2.20 -0.10 0.00 0.00 0.00 0.00 23.12 20.70 3haz s ALA 227 CO 0.49 -0.46 0.72 1.28 0.00 0.00 0.00 175.76 177.79 3haz n LEU 228 N -2.16 1.28 -0.59 0.00 4.32 -1.26 -1.07 117.00 117.52 3haz n LEU 228 Ca 0.02 0.90 0.08 0.00 -0.02 0.00 0.00 56.01 56.99 3haz n LEU 228 Cb 0.58 -1.22 0.26 0.00 -1.62 0.00 0.00 43.42 41.42 3haz n LEU 228 CO 0.48 -2.42 0.70 -0.81 -1.22 0.00 0.00 177.39 174.12 3haz n PRO 229 N 0.16 1.76 -1.21 3.23 -0.04 -1.26 -4.94 135.00 132.69 3haz n PRO 229 Ca 0.11 -1.16 -0.21 0.00 -0.04 0.00 0.00 63.50 62.20 3haz n PRO 229 Cb 0.42 -1.33 -0.12 0.00 -0.04 0.00 0.00 33.50 32.44 3haz n PRO 229 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 3haz n ASP 230 N 0.41 6.17 -4.16 3.54 2.03 -0.23 -4.80 116.55 119.50 3haz n ASP 230 Ca 0.14 -2.70 -0.10 0.00 0.52 0.00 0.00 54.79 52.64 3haz n ASP 230 Cb 0.31 -1.39 -0.10 0.00 -0.72 0.00 0.00 41.12 39.21 3haz n ASP 230 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 3haz s ARG 231 N 0.40 0.80 0.72 -0.67 0.52 -1.26 -4.58 118.95 114.88 3haz s ARG 231 Ca 0.65 -1.31 -0.12 0.00 -0.52 0.00 0.00 55.73 54.43 3haz s ARG 231 Cb 0.31 -0.16 0.03 0.00 0.52 0.00 0.00 34.95 35.64 3haz s ARG 231 CO -0.07 -0.03 1.09 -2.14 0.02 0.00 0.00 175.30 174.18 3haz s PRO 232 N -3.77 2.54 0.31 3.54 0.02 -1.26 -4.67 135.00 131.70 3haz s PRO 232 Ca 0.11 1.21 0.08 0.00 0.02 0.00 0.00 61.00 62.41 3haz s PRO 232 Cb 0.05 -1.93 -0.06 0.00 0.02 0.00 0.00 34.50 32.58 3haz s PRO 232 CO -0.05 -1.43 -0.07 0.20 -0.33 0.00 0.00 177.00 175.32 3haz s GLY 233 N -3.17 1.97 -0.02 0.52 0.00 -1.26 -2.32 107.32 103.04 3haz s GLY 233 Ca 0.63 -1.98 0.02 0.00 0.00 0.00 0.00 44.72 43.39 3haz s GLY 233 CO 0.51 -1.91 -0.07 -1.50 0.00 0.00 0.00 173.10 170.12 3haz s ILE 234 N -2.86 0.60 -0.13 0.90 2.07 -0.38 -0.55 121.20 120.84 3haz s ILE 234 Ca 0.31 -0.27 -0.07 0.00 -1.41 0.00 0.00 60.65 59.20 3haz s ILE 234 Cb 0.03 -0.53 -0.04 0.00 0.13 0.00 0.00 42.46 42.05 3haz s ILE 234 CO 0.14 0.19 0.13 -0.44 -1.91 0.00 0.00 174.94 173.05 3haz s SER 235 N 0.13 6.33 0.03 4.50 0.01 -0.03 -1.77 113.70 122.90 3haz s SER 235 Ca -0.01 0.43 0.05 0.00 1.31 0.00 0.00 55.95 57.72 3haz s SER 235 Cb -0.06 -2.06 -0.02 0.00 0.21 0.00 0.00 66.02 64.09 3haz s SER 235 CO -0.00 0.38 -0.14 -0.69 0.41 0.00 0.00 173.24 173.20 3haz s VAL 236 N -0.86 1.09 -0.18 3.43 1.01 -0.18 -3.82 120.40 120.88 3haz s VAL 236 Ca 0.14 -0.95 -0.00 0.00 0.00 0.00 0.00 61.98 61.17 3haz s VAL 236 Cb -0.12 -0.98 0.01 0.00 0.00 0.00 0.00 36.38 35.29 3haz s VAL 236 CO 0.03 0.03 -0.15 -0.54 0.00 0.00 0.00 175.10 174.48 3haz s LYS 237 N -1.04 3.15 0.35 2.72 1.02 -1.26 -0.30 119.74 124.37 3haz s LYS 237 Ca 0.02 -0.76 0.08 0.00 0.02 0.00 0.00 55.97 55.33 3haz s LYS 237 Cb -0.08 -2.69 0.77 0.00 -0.52 0.00 0.00 37.83 35.32 3haz s LYS 237 CO 0.01 -0.14 1.88 -0.07 -0.92 0.00 0.00 175.35 176.11 3haz h LEU 238 N 7.78 0.69 -2.14 3.17 3.38 -1.96 -0.45 115.31 125.79 3haz h LEU 238 Ca -0.41 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 57.60 3haz h LEU 238 Cb 1.16 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.81 3haz h LEU 238 CO 0.61 0.37 -0.02 0.77 0.09 0.00 0.00 178.44 180.26 3haz h SER 239 N 0.74 0.00 1.58 -0.43 4.64 -1.95 -0.86 113.55 117.27 3haz h SER 239 Ca 0.43 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.73 3haz h SER 239 Cb 0.62 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.71 3haz h SER 239 CO -0.19 0.02 -0.10 0.00 -0.87 0.00 0.00 176.83 175.68 3haz h ALA 240 N 1.98 0.96 -0.02 5.18 0.00 -1.36 0.22 119.26 126.22 3haz h ALA 240 Ca -0.00 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3haz h ALA 240 Cb 0.29 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3haz h ALA 240 CO 0.00 0.12 -0.08 1.28 0.00 0.00 0.00 179.25 180.58 3haz n LEU 241 N -3.15 2.60 -3.71 0.00 4.77 -0.34 -4.22 117.00 112.95 3haz n LEU 241 Ca 0.02 -0.96 -0.11 0.00 -0.03 0.00 0.00 56.01 54.94 3haz n LEU 241 Cb 0.50 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.47 3haz n LEU 241 CO 0.33 0.45 -0.01 -2.28 -1.33 0.00 0.00 177.39 174.55 3haz s HIS 242 N -1.85 -0.49 -0.77 -1.77 2.46 -1.14 -4.88 115.29 106.84 3haz s HIS 242 Ca 0.23 1.09 0.24 0.00 0.47 0.00 0.00 55.06 57.09 3haz s HIS 242 Cb 0.17 0.18 0.92 0.00 -0.13 0.00 0.00 32.58 33.72 3haz s HIS 242 CO 0.31 -0.30 1.74 -0.35 -2.47 0.00 0.00 174.74 173.67 3haz n PRO 243 N 4.22 0.14 -3.23 2.88 -0.04 -1.26 -3.55 135.00 134.16 3haz n PRO 243 Ca -0.24 0.23 -0.24 0.00 -0.04 0.00 0.00 63.50 63.21 3haz n PRO 243 Cb 0.54 -1.70 -0.06 0.00 -0.04 0.00 0.00 33.50 32.24 3haz n PRO 243 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3haz n ARG 244 N -1.95 1.44 -2.65 0.54 5.12 -1.26 -4.72 116.66 113.17 3haz n ARG 244 Ca 0.05 -3.77 -0.42 0.00 -1.93 0.00 0.00 57.85 51.78 3haz n ARG 244 Cb 0.31 -1.65 -0.03 0.00 -1.16 0.00 0.00 32.46 29.94 3haz n ARG 244 CO 0.00 0.00 0.00 0.12 -1.93 0.00 0.00 177.63 175.82 3haz s PHE 245 N -1.90 2.69 -0.03 -1.55 2.19 -1.23 -4.74 117.98 113.41 3haz s PHE 245 Ca 0.38 -1.00 -0.21 0.00 0.33 0.00 0.00 56.93 56.43 3haz s PHE 245 Cb 0.20 -4.60 0.04 0.00 -1.31 0.00 0.00 43.02 37.36 3haz s PHE 245 CO -0.08 -1.82 0.46 -1.83 1.83 0.00 0.00 175.22 173.77 3haz s GLU 246 N 4.38 0.83 0.26 10.12 -1.05 -1.26 -5.01 118.70 126.97 3haz s GLU 246 Ca 0.43 -0.02 -0.02 0.00 -0.15 0.00 0.00 54.97 55.21 3haz s GLU 246 Cb -0.01 0.38 0.48 0.00 -0.44 0.00 0.00 34.13 34.54 3haz s GLU 246 CO -0.09 -0.24 1.79 0.00 0.95 0.00 0.00 175.26 177.67 3haz h ALA 247 N 3.50 1.28 0.00 -0.84 0.00 -1.87 -1.23 119.26 120.11 3haz h ALA 247 Ca -0.29 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.67 3haz h ALA 247 Cb 1.16 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.85 3haz h ALA 247 CO 0.40 0.04 -0.02 -0.84 0.00 0.00 0.00 179.25 178.83 3haz h ILE 248 N 0.76 0.06 -0.59 0.00 3.07 -1.88 -1.68 117.51 117.25 3haz h ILE 248 Ca 0.44 -0.39 -0.16 0.00 1.55 0.00 0.00 64.86 66.30 3haz h ILE 248 Cb 0.51 1.36 -0.09 0.00 -0.27 0.00 0.00 36.82 38.33 3haz h ILE 248 CO -0.30 0.02 0.16 -1.20 -1.05 0.00 0.00 178.15 175.78 3haz n SER 249 N -3.14 4.39 -0.32 2.16 7.64 -0.48 -3.82 113.62 120.06 3haz n SER 249 Ca -0.01 -3.24 0.13 0.00 1.01 0.00 0.00 58.87 56.76 3haz n SER 249 Cb 0.24 -0.69 0.35 0.00 -1.01 0.00 0.00 64.21 63.10 3haz n SER 249 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 3haz h ARG 250 N 2.33 0.72 0.63 1.43 2.43 -1.13 -1.23 114.38 119.56 3haz h ARG 250 Ca 0.20 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.30 3haz h ARG 250 Cb 2.06 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 31.44 3haz h ARG 250 CO 0.58 0.47 -0.46 0.00 -1.51 0.00 0.00 179.97 179.06 3haz h ALA 251 N 1.61 -1.11 0.00 2.80 0.00 -1.84 -0.97 119.26 119.74 3haz h ALA 251 Ca 0.52 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 55.15 3haz h ALA 251 Cb 0.83 0.60 -0.01 0.00 0.00 0.00 0.00 17.79 19.21 3haz h ALA 251 CO -0.29 -1.15 -0.33 0.07 0.00 0.00 0.00 179.25 177.56 3haz h ARG 252 N -1.05 0.00 -0.11 0.00 0.11 -1.88 -2.88 114.38 108.56 3haz h ARG 252 Ca -0.08 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.00 3haz h ARG 252 Cb 0.87 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.94 3haz h ARG 252 CO 0.03 0.33 0.05 0.28 0.10 0.00 0.00 179.97 180.77 3haz h VAL 253 N 0.00 1.12 -0.41 0.08 2.07 -0.87 0.11 116.25 118.35 3haz h VAL 253 Ca -0.00 -0.35 -0.03 0.00 0.82 0.00 0.00 66.70 67.14 3haz h VAL 253 Cb 0.62 1.14 -0.02 0.00 -1.52 0.00 0.00 31.29 31.51 3haz h VAL 253 CO 0.04 0.11 0.12 0.24 0.02 0.00 0.00 177.57 178.10 3haz h MET 254 N 0.06 0.59 -0.04 1.57 2.86 -1.10 0.18 114.93 119.06 3haz h MET 254 Ca 0.04 -0.09 -0.20 0.00 -2.06 0.00 0.00 59.70 57.39 3haz h MET 254 Cb 0.12 -0.10 0.01 0.00 0.06 0.00 0.00 31.60 31.69 3haz h MET 254 CO -0.00 0.52 -0.74 0.28 1.06 0.00 0.00 176.91 178.02 3haz h VAL 255 N 0.58 1.35 0.07 -2.22 2.07 -1.29 -3.34 116.25 113.48 3haz h VAL 255 Ca 0.14 -2.07 -0.34 0.00 0.82 0.00 0.00 66.70 65.25 3haz h VAL 255 Cb 0.18 2.38 -0.03 0.00 -1.52 0.00 0.00 31.29 32.30 3haz h VAL 255 CO -0.01 0.62 -1.89 -0.62 0.02 0.00 0.00 177.57 175.70 3haz n GLU 256 N -4.08 0.69 0.10 1.57 1.02 0.37 -4.57 120.64 115.74 3haz n GLU 256 Ca -0.10 0.33 -0.22 0.00 -0.02 0.00 0.00 57.16 57.15 3haz n GLU 256 Cb 0.73 -1.69 -0.14 0.00 -0.02 0.00 0.00 31.44 30.33 3haz n GLU 256 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 3haz h LEU 257 N -0.29 0.77 -0.15 -4.62 5.85 -0.81 -3.34 115.31 112.72 3haz h LEU 257 Ca -0.44 -0.88 0.05 0.00 0.84 0.00 0.00 57.88 57.45 3haz h LEU 257 Cb 1.80 -0.25 -0.06 0.00 0.37 0.00 0.00 40.66 42.52 3haz h LEU 257 CO -0.04 1.58 -0.24 0.58 -0.34 0.00 0.00 178.44 179.97 3haz h VAL 258 N 0.08 0.42 0.00 1.05 2.07 -1.68 -0.26 116.25 117.93 3haz h VAL 258 Ca -0.19 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.30 3haz h VAL 258 Cb 1.90 0.42 -0.00 0.00 -1.52 0.00 0.00 31.29 32.09 3haz h VAL 258 CO 0.23 0.00 -0.12 -0.65 0.02 0.00 0.00 177.57 177.05 3haz h PRO 259 N -0.29 0.00 -0.01 1.57 0.11 -1.81 -0.39 132.00 131.18 3haz h PRO 259 Ca 0.11 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.21 3haz h PRO 259 Cb 0.45 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.56 3haz h PRO 259 CO -0.32 0.12 -0.00 1.96 -0.21 0.00 0.00 178.00 179.55 3haz h GLN 260 N 0.00 0.02 -0.44 1.05 1.08 -1.25 -1.03 115.11 114.54 3haz h GLN 260 Ca -0.00 -0.01 -0.04 0.00 -1.45 0.00 0.00 58.65 57.15 3haz h GLN 260 Cb 0.22 -0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.63 3haz h GLN 260 CO 0.02 0.39 0.11 1.25 -0.95 0.00 0.00 178.83 179.65 3haz h LEU 261 N -0.35 0.59 -0.43 1.46 5.85 -0.82 -2.30 115.31 119.31 3haz h LEU 261 Ca 0.00 -0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.62 3haz h LEU 261 Cb 0.38 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.24 3haz h LEU 261 CO 0.00 0.59 0.22 0.25 -0.34 0.00 0.00 178.44 179.16 3haz h LEU 262 N 0.63 0.54 -0.07 2.25 5.85 -0.92 -0.47 115.31 123.13 3haz h LEU 262 Ca 0.15 -0.11 0.02 0.00 0.84 0.00 0.00 57.88 58.78 3haz h LEU 262 Cb 0.22 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.10 3haz h LEU 262 CO -0.00 0.50 -0.05 -0.78 -0.34 0.00 0.00 178.44 177.77 3haz h ASP 263 N 0.55 -0.15 -0.78 1.25 1.82 -0.76 0.07 116.42 118.43 3haz h ASP 263 Ca 0.15 0.03 -0.02 0.00 -0.39 0.00 0.00 57.03 56.80 3haz h ASP 263 Cb 0.08 0.08 -0.04 0.00 0.68 0.00 0.00 39.33 40.13 3haz h ASP 263 CO -0.02 -0.06 0.40 -0.07 -1.61 0.00 0.00 179.24 177.87 3haz h LEU 264 N -0.05 1.01 -0.95 2.28 3.38 -1.31 -1.77 115.31 117.91 3haz h LEU 264 Ca 0.04 -0.10 -0.09 0.00 0.09 0.00 0.00 57.88 57.82 3haz h LEU 264 Cb 0.11 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 3haz h LEU 264 CO -0.10 0.84 -0.22 0.00 0.09 0.00 0.00 178.44 179.05 3haz h ALA 265 N 1.32 1.11 -0.52 1.53 0.00 -0.61 -1.42 119.26 120.67 3haz h ALA 265 Ca 0.28 -0.33 -0.12 0.00 0.00 0.00 0.00 54.91 54.74 3haz h ALA 265 Cb 0.08 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 3haz h ALA 265 CO -0.04 0.55 -0.15 1.96 0.00 0.00 0.00 179.25 181.58 3haz h GLN 266 N 0.46 1.01 -0.32 0.00 4.20 -0.62 -0.17 115.11 119.67 3haz h GLN 266 Ca 0.07 -0.39 -0.09 0.00 0.06 0.00 0.00 58.65 58.30 3haz h GLN 266 Cb 0.63 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.34 3haz h GLN 266 CO 0.04 1.07 -0.18 0.00 -0.67 0.00 0.00 178.83 179.09 3haz h ARG 267 N 0.89 0.59 -0.20 1.46 3.08 -0.96 -0.47 114.38 118.77 3haz h ARG 267 Ca 0.13 -0.20 -0.12 0.00 0.07 0.00 0.00 59.98 59.86 3haz h ARG 267 Cb 0.72 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.72 3haz h ARG 267 CO 0.05 0.74 -0.34 0.00 -1.07 0.00 0.00 179.97 179.35 3haz h ALA 268 N 1.27 0.31 -0.90 0.04 0.00 -1.15 -3.14 119.26 115.70 3haz h ALA 268 Ca 0.09 -0.43 0.05 0.00 0.00 0.00 0.00 54.91 54.62 3haz h ALA 268 Cb 0.62 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.30 3haz h ALA 268 CO 0.04 0.36 0.59 -0.22 0.00 0.00 0.00 179.25 180.03 3haz h LYS 269 N 0.26 1.04 -0.05 0.00 3.64 -0.74 -0.77 116.57 119.95 3haz h LYS 269 Ca 0.01 -0.06 0.01 0.00 -1.27 0.00 0.00 60.65 59.34 3haz h LYS 269 Cb 0.93 -0.23 -0.00 0.00 -0.41 0.00 0.00 32.23 32.52 3haz h LYS 269 CO 0.08 0.69 0.05 0.00 -2.27 0.00 0.00 179.45 177.99 3haz h ALA 270 N 1.50 1.60 -0.43 5.00 0.00 -1.04 0.24 119.26 126.13 3haz h ALA 270 Ca 0.38 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.28 3haz h ALA 270 Cb 0.13 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3haz h ALA 270 CO -0.13 -0.07 0.00 0.72 0.00 0.00 0.00 179.25 179.76 3haz n HIS 271 N -3.85 0.57 -3.82 0.00 8.25 -0.58 -4.97 115.22 110.83 3haz n HIS 271 Ca -0.02 -0.40 -0.25 0.00 -0.26 0.00 0.00 57.72 56.79 3haz n HIS 271 Cb 0.14 -0.01 0.02 0.00 1.12 0.00 0.00 29.99 31.26 3haz n HIS 271 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 3haz n ASP 272 N 1.05 -1.89 -4.96 0.41 2.03 0.83 -4.97 116.55 109.05 3haz n ASP 272 Ca 0.16 -0.86 -0.22 0.00 0.52 0.00 0.00 54.79 54.40 3haz n ASP 272 Cb 0.50 -3.76 0.02 0.00 -0.72 0.00 0.00 41.12 37.16 3haz n ASP 272 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3haz s LEU 273 N -6.90 3.52 -0.06 -2.67 1.43 -0.40 -4.77 118.68 108.82 3haz s LEU 273 Ca 0.18 0.15 -0.27 0.00 -1.03 0.00 0.00 54.13 53.16 3haz s LEU 273 Cb -0.09 -3.03 -0.03 0.00 0.03 0.00 0.00 46.19 43.07 3haz s LEU 273 CO 0.84 -0.86 0.87 0.21 0.23 0.00 0.00 176.35 177.63 3haz s ASN 274 N -4.30 7.16 -0.23 2.29 3.04 -0.98 -4.35 114.94 117.57 3haz s ASN 274 Ca 0.52 1.41 -0.00 0.00 0.04 0.00 0.00 52.86 54.83 3haz s ASN 274 Cb -0.10 -2.50 0.06 0.00 -1.54 0.00 0.00 41.25 37.18 3haz s ASN 274 CO 0.38 -0.26 -0.02 0.12 -3.04 0.00 0.00 177.10 174.28 3haz s PHE 275 N 1.27 2.09 -0.13 0.43 5.36 0.25 -1.25 117.98 126.00 3haz s PHE 275 Ca 0.45 -1.60 0.02 0.00 -0.96 0.00 0.00 56.93 54.83 3haz s PHE 275 Cb -0.19 -1.52 -0.00 0.00 -0.34 0.00 0.00 43.02 40.97 3haz s PHE 275 CO 0.21 -0.75 -0.18 0.99 -1.46 0.00 0.00 175.22 174.03 3haz s THR 276 N 1.50 2.53 -0.35 0.12 2.01 -0.73 -1.19 115.64 119.53 3haz s THR 276 Ca -0.03 -0.84 -0.23 0.00 0.31 0.00 0.00 61.69 60.91 3haz s THR 276 Cb -0.18 -2.03 0.01 0.00 0.01 0.00 0.00 72.50 70.30 3haz s THR 276 CO -0.08 0.54 0.75 -0.69 -0.69 0.00 0.00 174.62 174.45 3haz s VAL 277 N 0.51 4.78 0.90 3.82 1.01 -0.55 -1.01 120.40 129.86 3haz s VAL 277 Ca -0.12 0.89 -0.10 0.00 0.00 0.00 0.00 61.98 62.65 3haz s VAL 277 Cb -0.16 -4.16 0.14 0.00 0.00 0.00 0.00 36.38 32.19 3haz s VAL 277 CO 0.05 -0.36 1.13 -1.81 0.00 0.00 0.00 175.10 174.11 3haz s ASP 278 N 1.77 3.12 -0.15 3.32 1.01 0.59 -1.07 116.67 125.26 3haz s ASP 278 Ca 0.30 2.11 -0.07 0.00 0.71 0.00 0.00 52.55 55.60 3haz s ASP 278 Cb -0.14 -2.55 -0.04 0.00 1.01 0.00 0.00 42.92 41.20 3haz s ASP 278 CO 0.15 -2.97 0.10 0.00 0.21 0.00 0.00 175.17 172.67 3haz s ALA 279 N -2.69 3.63 0.00 5.23 0.00 -1.26 -4.69 121.76 121.98 3haz s ALA 279 Ca 0.66 -0.70 0.00 0.00 0.00 0.00 0.00 51.96 51.92 3haz s ALA 279 Cb -0.22 -1.94 0.00 0.00 0.00 0.00 0.00 23.12 20.96 3haz s ALA 279 CO 0.58 0.39 0.00 0.39 0.00 0.00 0.00 175.76 177.12 3haz n GLU 280 N 2.78 3.21 -1.39 0.00 1.02 -1.26 -4.93 120.64 120.07 3haz n GLU 280 Ca -0.18 0.00 -0.33 0.00 -0.02 0.00 0.00 57.16 56.63 3haz n GLU 280 Cb 0.53 0.00 0.09 0.00 -0.02 0.00 0.00 31.44 32.05 3haz n GLU 280 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 3haz s GLU 281 N 4.44 2.14 0.39 3.49 8.01 -1.26 -4.90 118.70 131.00 3haz s GLU 281 Ca 0.00 1.60 0.06 0.00 0.01 0.00 0.00 54.97 56.65 3haz s GLU 281 Cb 0.00 -1.85 0.79 0.00 -4.31 0.00 0.00 34.13 28.76 3haz s GLU 281 CO 0.00 -1.80 2.01 0.00 0.01 0.00 0.00 175.26 175.48 3haz h ALA 282 N -0.51 1.62 0.00 5.21 0.00 -1.99 -1.69 119.26 121.91 3haz h ALA 282 Ca -0.46 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.37 3haz h ALA 282 Cb 1.28 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.90 3haz h ALA 282 CO 0.50 0.32 0.00 -0.40 0.00 0.00 0.00 179.25 179.66 3haz n ASP 283 N -4.43 0.00 -0.48 0.00 5.75 -1.26 -2.26 116.55 113.88 3haz n ASP 283 Ca 0.03 -0.14 0.06 0.00 -0.01 0.00 0.00 54.79 54.73 3haz n ASP 283 Cb 0.10 -0.22 0.05 0.00 -1.03 0.00 0.00 41.12 40.02 3haz n ASP 283 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3haz n ARG 284 N -1.22 0.67 0.11 0.11 1.74 -0.64 -4.42 116.66 113.00 3haz n ARG 284 Ca 0.11 -1.22 -0.13 0.00 -0.77 0.00 0.00 57.85 55.84 3haz n ARG 284 Cb 0.14 -1.23 -0.06 0.00 -1.02 0.00 0.00 32.46 30.29 3haz n ARG 284 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 3haz h LEU 285 N 2.32 -0.39 -0.25 0.55 5.85 -1.43 0.18 115.31 122.15 3haz h LEU 285 Ca 0.00 0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.76 3haz h LEU 285 Cb 0.50 0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.65 3haz h LEU 285 CO 0.00 -0.22 0.14 -0.33 -0.34 0.00 0.00 178.44 177.69 3haz h GLU 286 N -0.30 0.35 -0.79 1.25 5.08 -1.81 -1.71 114.58 116.64 3haz h GLU 286 Ca 0.01 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 3haz h GLU 286 Cb 0.30 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.44 3haz h GLU 286 CO -0.05 0.31 0.50 1.25 -1.00 0.00 0.00 179.01 180.01 3haz h LEU 287 N 0.29 0.93 -0.76 1.33 5.85 -1.83 -0.80 115.31 120.32 3haz h LEU 287 Ca 0.09 -0.04 -0.04 0.00 0.84 0.00 0.00 57.88 58.72 3haz h LEU 287 Cb 0.06 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 40.82 3haz h LEU 287 CO -0.01 0.70 0.31 0.77 -0.34 0.00 0.00 178.44 179.87 3haz h SER 288 N 1.08 1.04 -0.43 1.25 4.64 -0.71 -1.33 113.55 119.09 3haz h SER 288 Ca 0.29 -0.17 -0.12 0.00 -0.47 0.00 0.00 61.79 61.32 3haz h SER 288 Cb -0.08 -0.27 -0.01 0.00 -0.31 0.00 0.00 62.40 61.72 3haz h SER 288 CO -0.06 0.92 -0.19 -0.07 -0.87 0.00 0.00 176.83 176.57 3haz h LEU 289 N 1.10 0.94 -0.23 5.97 3.38 -0.89 0.25 115.31 125.83 3haz h LEU 289 Ca 0.26 -0.34 0.03 0.00 0.09 0.00 0.00 57.88 57.92 3haz h LEU 289 Cb 0.20 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 3haz h LEU 289 CO -0.02 1.11 0.04 0.44 0.09 0.00 0.00 178.44 180.09 3haz h ASP 290 N 0.81 0.00 -0.68 -0.43 3.32 -0.75 -0.06 116.42 118.63 3haz h ASP 290 Ca 0.11 0.04 -0.06 0.00 0.02 0.00 0.00 57.03 57.14 3haz h ASP 290 Cb 0.74 0.05 -0.03 0.00 0.22 0.00 0.00 39.33 40.31 3haz h ASP 290 CO 0.06 0.03 0.18 0.58 -1.72 0.00 0.00 179.24 178.37 3haz h VAL 291 N 0.13 1.26 -0.21 -1.35 2.07 -1.06 -2.31 116.25 114.78 3haz h VAL 291 Ca 0.10 -0.93 -0.13 0.00 0.82 0.00 0.00 66.70 66.56 3haz h VAL 291 Cb 0.10 0.53 0.00 0.00 -1.52 0.00 0.00 31.29 30.40 3haz h VAL 291 CO -0.14 0.36 -0.37 0.40 0.02 0.00 0.00 177.57 177.83 3haz h ILE 292 N 1.04 1.32 -0.25 4.57 2.04 -0.65 -2.11 117.51 123.47 3haz h ILE 292 Ca 0.22 -1.59 0.00 0.00 1.00 0.00 0.00 64.86 64.49 3haz h ILE 292 Cb 0.34 1.82 -0.01 0.00 -0.74 0.00 0.00 36.82 38.24 3haz h ILE 292 CO -0.00 0.50 0.17 0.00 0.00 0.00 0.00 178.15 178.81 3haz h ALA 293 N 0.61 0.32 -0.72 1.87 0.00 -0.98 -0.34 119.26 120.02 3haz h ALA 293 Ca 0.01 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 54.95 3haz h ALA 293 Cb 0.97 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.61 3haz h ALA 293 CO 0.08 -0.21 0.43 0.00 0.00 0.00 0.00 179.25 179.56 3haz h ALA 294 N 1.09 0.97 -0.06 0.00 0.00 -1.40 -1.14 119.26 118.72 3haz h ALA 294 Ca 0.09 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 3haz h ALA 294 Cb -0.04 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.56 3haz h ALA 294 CO -0.02 0.17 -0.01 1.15 0.00 0.00 0.00 179.25 180.54 3haz h THR 295 N 0.82 1.28 0.00 0.00 2.02 -1.04 -3.00 112.91 112.99 3haz h THR 295 Ca 0.31 -0.86 -0.02 0.00 0.77 0.00 0.00 66.41 66.61 3haz h THR 295 Cb 0.11 1.74 -0.00 0.00 -1.74 0.00 0.00 68.15 68.26 3haz h THR 295 CO -0.15 0.24 -0.10 0.25 0.37 0.00 0.00 175.52 176.13 3haz h LEU 296 N -0.21 0.00 -2.03 2.58 5.85 -0.93 -2.37 115.31 118.19 3haz h LEU 296 Ca 0.02 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.72 3haz h LEU 296 Cb 0.38 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.41 3haz h LEU 296 CO 0.00 0.10 -0.07 0.00 -0.34 0.00 0.00 178.44 178.13 3haz h ALA 297 N 1.90 1.65 -2.61 1.25 0.00 -1.05 -3.44 119.26 116.97 3haz h ALA 297 Ca -0.00 -0.06 -0.52 0.00 0.00 0.00 0.00 54.91 54.32 3haz h ALA 297 Cb 0.19 -0.01 0.05 0.00 0.00 0.00 0.00 17.79 18.02 3haz h ALA 297 CO 0.01 0.09 1.05 0.34 0.00 0.00 0.00 179.25 180.74 3haz s ASP 298 N -6.62 6.38 0.64 0.00 -1.08 -0.89 -4.85 116.67 110.26 3haz s ASP 298 Ca -0.04 2.85 0.38 0.00 -0.52 0.00 0.00 52.55 55.21 3haz s ASP 298 Cb 0.15 -2.59 2.09 0.00 -1.46 0.00 0.00 42.92 41.12 3haz s ASP 298 CO 0.63 -0.99 2.24 -0.65 0.52 0.00 0.00 175.17 176.91 3haz h PRO 299 N 7.42 0.00 0.00 4.34 0.11 -1.90 -2.49 132.00 139.48 3haz h PRO 299 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3haz h PRO 299 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3haz h PRO 299 CO 0.96 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.62 3haz n SER 300 N -3.27 0.00 -0.86 -2.05 3.41 -1.26 -2.25 113.62 107.33 3haz n SER 300 Ca -0.02 0.46 0.09 0.00 -0.26 0.00 0.00 58.87 59.14 3haz n SER 300 Cb 0.17 -0.48 0.15 0.00 -0.26 0.00 0.00 64.21 63.79 3haz n SER 300 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3haz n LEU 301 N -1.48 2.95 -4.71 1.04 4.77 -0.94 -4.98 117.00 113.65 3haz n LEU 301 Ca 0.04 -1.45 -0.34 0.00 -0.03 0.00 0.00 56.01 54.23 3haz n LEU 301 Cb 0.17 -0.17 0.10 0.00 -2.33 0.00 0.00 43.42 41.19 3haz n LEU 301 CO 0.14 0.63 0.79 -0.54 -1.33 0.00 0.00 177.39 177.08 3haz s LYS 302 N -1.28 1.96 -0.33 3.23 1.02 -0.96 -3.48 119.74 119.92 3haz s LYS 302 Ca 0.28 1.75 0.00 0.00 0.02 0.00 0.00 55.97 58.02 3haz s LYS 302 Cb 0.17 -1.81 0.00 0.00 -0.52 0.00 0.00 37.83 35.67 3haz s LYS 302 CO 0.24 -1.97 0.00 0.41 -0.92 0.00 0.00 175.35 173.11 3haz n GLY 303 N 0.39 0.60 2.92 -3.33 0.00 -1.26 -5.00 105.19 99.51 3haz n GLY 303 Ca 0.13 -0.36 -0.19 0.00 0.00 0.00 0.00 46.02 45.60 3haz n GLY 303 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3haz s TRP 304 N -1.95 0.67 -0.68 1.61 -0.00 -1.23 -5.05 118.94 112.31 3haz s TRP 304 Ca 0.00 -0.16 0.13 0.00 -0.00 0.00 0.00 56.10 56.07 3haz s TRP 304 Cb 0.00 -0.55 0.38 0.00 -0.00 0.00 0.00 33.47 33.31 3haz s TRP 304 CO 0.00 -0.12 1.31 -0.25 -0.00 0.00 0.00 176.95 177.90 3haz n ASP 305 N 3.62 3.26 -0.30 5.86 8.00 -1.26 -4.62 116.55 131.12 3haz n ASP 305 Ca -0.21 -2.34 0.11 0.00 0.71 0.00 0.00 54.79 53.06 3haz n ASP 305 Cb 0.53 -0.34 -0.05 0.00 -0.02 0.00 0.00 41.12 41.25 3haz n ASP 305 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3haz n GLY 306 N 0.18 -0.38 3.78 0.44 0.00 -1.26 -4.12 105.19 103.83 3haz n GLY 306 Ca 0.15 -0.63 -0.36 0.00 0.00 0.00 0.00 46.02 45.19 3haz n GLY 306 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3haz s PHE 307 N -2.69 3.02 -0.84 1.61 5.36 -1.26 -0.58 117.98 122.60 3haz s PHE 307 Ca 0.14 1.58 0.00 0.00 -0.96 0.00 0.00 56.93 57.70 3haz s PHE 307 Cb 0.17 -3.20 0.00 0.00 -0.34 0.00 0.00 43.02 39.66 3haz s PHE 307 CO 0.69 -1.03 0.00 0.41 -1.46 0.00 0.00 175.22 173.83 3haz n GLY 308 N 0.18 -1.26 3.49 13.12 0.00 -0.33 -1.34 105.19 119.04 3haz n GLY 308 Ca 0.08 -0.87 -0.09 0.00 0.00 0.00 0.00 46.02 45.13 3haz n GLY 308 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 3haz s LEU 309 N 0.00 0.32 0.11 0.99 2.34 -1.19 -1.48 118.68 119.78 3haz s LEU 309 Ca 0.00 -0.62 -0.12 0.00 0.06 0.00 0.00 54.13 53.45 3haz s LEU 309 Cb 0.00 1.88 -0.06 0.00 -0.56 0.00 0.00 46.19 47.44 3haz s LEU 309 CO 0.00 -1.02 0.48 0.00 -1.06 0.00 0.00 176.35 174.75 3haz s ALA 310 N -3.91 3.65 -0.07 1.48 0.00 -0.23 -1.53 121.76 121.14 3haz s ALA 310 Ca 0.12 -0.24 0.02 0.00 0.00 0.00 0.00 51.96 51.86 3haz s ALA 310 Cb 0.00 -2.41 0.01 0.00 0.00 0.00 0.00 23.12 20.73 3haz s ALA 310 CO -0.01 0.50 -0.12 0.42 0.00 0.00 0.00 175.76 176.55 3haz s ILE 311 N -1.43 1.16 -0.40 0.00 1.01 0.34 -4.35 121.20 117.53 3haz s ILE 311 Ca 0.35 -0.49 -0.19 0.00 0.00 0.00 0.00 60.65 60.33 3haz s ILE 311 Cb -0.14 -1.06 0.01 0.00 0.01 0.00 0.00 42.46 41.28 3haz s ILE 311 CO 0.19 0.36 0.55 -1.10 0.00 0.00 0.00 174.94 174.94 3haz s GLN 312 N 0.69 3.37 0.50 2.79 -0.21 -1.26 -0.83 119.66 124.71 3haz s GLN 312 Ca -0.14 -0.37 0.33 0.00 0.02 0.00 0.00 55.36 55.20 3haz s GLN 312 Cb -0.16 -3.90 1.49 0.00 1.00 0.00 0.00 33.01 31.45 3haz s GLN 312 CO 0.03 -0.84 1.98 0.00 -2.12 0.00 0.00 175.29 174.35 3haz h ALA 313 N 8.68 1.00 0.00 6.09 0.00 0.73 -2.54 119.26 133.22 3haz h ALA 313 Ca -0.26 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.65 3haz h ALA 313 Cb 1.11 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.90 3haz h ALA 313 CO 0.83 0.00 0.00 2.48 0.00 0.00 0.00 179.25 182.56 3haz n TYR 314 N -2.84 0.00 -3.52 0.00 4.11 0.13 -4.56 117.16 110.48 3haz n TYR 314 Ca 0.00 0.00 -0.38 0.00 -0.00 0.00 0.00 57.90 57.52 3haz n TYR 314 Cb 0.22 -0.20 -0.06 0.00 -0.00 0.00 0.00 39.34 39.30 3haz n TYR 314 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.86 176.21 3haz s GLN 315 N -2.40 3.97 0.59 -3.48 -0.21 -0.96 -1.37 119.66 115.81 3haz s GLN 315 Ca 0.27 0.33 0.34 0.00 0.02 0.00 0.00 55.36 56.31 3haz s GLN 315 Cb 0.16 -3.27 1.88 0.00 1.00 0.00 0.00 33.01 32.78 3haz s GLN 315 CO 0.34 0.58 2.23 0.87 -2.12 0.00 0.00 175.29 177.18 3haz h LYS 316 N 5.23 0.00 -0.00 2.91 1.57 -1.61 -1.75 116.57 122.92 3haz h LYS 316 Ca -0.49 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.29 3haz h LYS 316 Cb 1.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.52 3haz h LYS 316 CO 0.65 0.03 -0.05 0.54 -0.57 0.00 0.00 179.45 180.05 3haz n ARG 317 N -3.55 0.90 -0.09 3.15 1.74 -1.26 -4.44 116.66 113.12 3haz n ARG 317 Ca -0.03 -0.26 -0.06 0.00 -0.77 0.00 0.00 57.85 56.74 3haz n ARG 317 Cb 0.13 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.07 3haz n ARG 317 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3haz h ALA 318 N 3.82 0.20 -0.69 7.54 0.00 -1.55 -1.33 119.26 127.25 3haz h ALA 318 Ca 0.00 0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 3haz h ALA 318 Cb 0.27 0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 3haz h ALA 318 CO 0.00 -0.47 0.42 1.03 0.00 0.00 0.00 179.25 180.23 3haz h SER 319 N -0.02 0.81 -0.03 0.00 0.87 -1.83 -1.24 113.55 112.12 3haz h SER 319 Ca 0.16 -0.04 -0.12 0.00 -1.23 0.00 0.00 61.79 60.56 3haz h SER 319 Cb 0.26 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 62.01 3haz h SER 319 CO -0.35 0.62 -0.36 0.00 -0.53 0.00 0.00 176.83 176.20 3haz h ALA 320 N 1.52 0.93 -0.78 6.23 0.00 -1.62 -2.14 119.26 123.39 3haz h ALA 320 Ca 0.25 -0.41 -0.05 0.00 0.00 0.00 0.00 54.91 54.70 3haz h ALA 320 Cb -0.05 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 3haz h ALA 320 CO -0.05 0.62 0.30 0.28 0.00 0.00 0.00 179.25 180.41 3haz h VAL 321 N 0.44 1.26 -0.20 0.00 2.07 -0.20 0.19 116.25 119.81 3haz h VAL 321 Ca 0.05 -0.83 0.01 0.00 0.82 0.00 0.00 66.70 66.74 3haz h VAL 321 Cb 0.84 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 30.93 3haz h VAL 321 CO 0.07 0.34 0.12 0.40 0.02 0.00 0.00 177.57 178.51 3haz h ILE 322 N 1.14 1.02 -0.00 4.57 2.04 -1.03 0.10 117.51 125.36 3haz h ILE 322 Ca 0.26 -0.08 0.03 0.00 1.00 0.00 0.00 64.86 66.07 3haz h ILE 322 Cb 0.22 0.76 -0.04 0.00 -0.74 0.00 0.00 36.82 37.03 3haz h ILE 322 CO -0.02 0.04 -0.20 0.44 0.00 0.00 0.00 178.15 178.42 3haz h ASP 323 N 0.24 -0.58 -0.46 1.72 3.32 -0.87 -0.74 116.42 119.05 3haz h ASP 323 Ca 0.08 0.08 0.08 0.00 0.02 0.00 0.00 57.03 57.28 3haz h ASP 323 Cb -0.01 0.24 -0.06 0.00 0.22 0.00 0.00 39.33 39.72 3haz h ASP 323 CO -0.03 -0.26 0.10 0.22 -1.72 0.00 0.00 179.24 177.54 3haz h TYR 324 N -0.32 0.16 -0.84 4.55 3.20 -0.74 -0.60 116.97 122.38 3haz h TYR 324 Ca 0.06 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.94 3haz h TYR 324 Cb 0.39 -0.00 -0.04 0.00 1.54 0.00 0.00 36.73 38.62 3haz h TYR 324 CO -0.24 0.01 0.47 0.28 -1.64 0.00 0.00 178.16 177.03 3haz h VAL 325 N 0.23 1.24 -0.38 1.81 2.07 -0.40 -0.58 116.25 120.25 3haz h VAL 325 Ca 0.23 -0.58 -0.05 0.00 0.82 0.00 0.00 66.70 67.11 3haz h VAL 325 Cb 0.29 0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.15 3haz h VAL 325 CO -0.30 0.27 0.05 -0.78 0.02 0.00 0.00 177.57 176.83 3haz h ASP 326 N 1.17 0.62 -0.42 0.57 3.58 -0.36 -1.49 116.42 120.09 3haz h ASP 326 Ca 0.30 -0.27 -0.03 0.00 0.42 0.00 0.00 57.03 57.45 3haz h ASP 326 Cb 0.01 -0.17 -0.02 0.00 1.72 0.00 0.00 39.33 40.87 3haz h ASP 326 CO -0.05 0.74 0.18 0.00 -2.88 0.00 0.00 179.24 177.23 3haz h ALA 327 N 0.90 1.43 0.19 -0.78 0.00 -0.67 -0.03 119.26 120.31 3haz h ALA 327 Ca 0.11 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 3haz h ALA 327 Cb 0.39 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3haz h ALA 327 CO 0.01 0.43 -0.09 1.25 0.00 0.00 0.00 179.25 180.85 3haz h LEU 328 N 0.67 -0.22 -0.65 0.00 5.85 -0.85 0.60 115.31 120.70 3haz h LEU 328 Ca 0.16 -0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.80 3haz h LEU 328 Cb 0.15 0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.21 3haz h LEU 328 CO -0.01 -0.07 0.34 0.00 -0.34 0.00 0.00 178.44 178.36 3haz h ALA 329 N 0.44 0.84 -0.39 1.25 0.00 -0.74 -1.67 119.26 118.98 3haz h ALA 329 Ca -0.03 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 54.67 3haz h ALA 329 Cb 0.27 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3haz h ALA 329 CO 0.04 0.37 -0.12 0.00 0.00 0.00 0.00 179.25 179.54 3haz h ARG 330 N 0.90 0.78 -0.68 0.00 3.08 -0.99 0.33 114.38 117.79 3haz h ARG 330 Ca 0.23 -0.31 0.01 0.00 0.07 0.00 0.00 59.98 59.97 3haz h ARG 330 Cb 0.07 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.04 3haz h ARG 330 CO -0.03 0.93 0.45 0.00 -1.07 0.00 0.00 179.97 180.24 3haz h ALA 331 N 0.83 0.87 -0.15 0.04 0.00 -0.61 -2.39 119.26 117.84 3haz h ALA 331 Ca 0.10 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3haz h ALA 331 Cb 0.66 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.17 3haz h ALA 331 CO 0.04 0.29 0.00 0.72 0.00 0.00 0.00 179.25 180.31 3haz n HIS 332 N -4.61 0.18 -3.42 0.00 8.25 -0.65 -4.69 115.22 110.28 3haz n HIS 332 Ca 0.06 -0.09 -0.17 0.00 -0.26 0.00 0.00 57.72 57.26 3haz n HIS 332 Cb 0.02 0.00 0.03 0.00 1.12 0.00 0.00 29.99 31.16 3haz n HIS 332 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 3haz n ASP 333 N 0.95 -6.31 -4.28 0.41 2.03 0.33 -5.02 116.55 104.66 3haz n ASP 333 Ca 0.17 -0.66 -0.15 0.00 0.52 0.00 0.00 54.79 54.67 3haz n ASP 333 Cb 0.50 -4.11 -0.10 0.00 -0.72 0.00 0.00 41.12 36.69 3haz n ASP 333 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 3haz s ARG 334 N -4.58 1.13 -0.13 -0.67 1.81 0.88 -4.93 118.95 112.46 3haz s ARG 334 Ca 0.26 -1.49 -0.05 0.00 -1.72 0.00 0.00 55.73 52.72 3haz s ARG 334 Cb -0.07 -0.74 -0.04 0.00 -0.45 0.00 0.00 34.95 33.65 3haz s ARG 334 CO 0.81 0.09 0.07 0.15 -0.68 0.00 0.00 175.30 175.75 3haz s LYS 335 N -3.73 3.44 0.07 3.54 1.02 -1.26 -4.63 119.74 118.18 3haz s LYS 335 Ca 0.18 -0.28 0.07 0.00 0.02 0.00 0.00 55.97 55.97 3haz s LYS 335 Cb 0.02 -3.07 -0.03 0.00 -0.52 0.00 0.00 37.83 34.23 3haz s LYS 335 CO 0.02 0.62 -0.20 -0.51 -0.92 0.00 0.00 175.35 174.36 3haz s LEU 336 N -0.61 2.23 -0.31 3.17 1.43 -0.96 -4.46 118.68 119.17 3haz s LEU 336 Ca 0.11 -0.59 -0.10 0.00 -1.03 0.00 0.00 54.13 52.53 3haz s LEU 336 Cb -0.12 -0.88 -0.01 0.00 0.03 0.00 0.00 46.19 45.21 3haz s LEU 336 CO 0.02 0.09 0.17 -0.04 0.23 0.00 0.00 176.35 176.83 3haz s MET 337 N -1.49 3.45 -0.22 1.70 -1.94 -0.45 -0.87 119.30 119.48 3haz s MET 337 Ca 0.06 -0.65 -0.01 0.00 -1.71 0.00 0.00 55.69 53.38 3haz s MET 337 Cb -0.09 -3.61 0.02 0.00 2.01 0.00 0.00 34.83 33.16 3haz s MET 337 CO 0.03 -0.38 -0.10 0.08 -0.01 0.00 0.00 175.02 174.63 3haz s VAL 338 N 1.65 2.66 -0.27 -6.03 1.01 -0.38 -3.16 120.40 115.87 3haz s VAL 338 Ca 0.05 -0.95 -0.19 0.00 0.00 0.00 0.00 61.98 60.89 3haz s VAL 338 Cb -0.17 -2.27 -0.02 0.00 0.00 0.00 0.00 36.38 33.92 3haz s VAL 338 CO 0.07 0.33 0.59 -0.60 0.00 0.00 0.00 175.10 175.49 3haz s ARG 339 N 1.32 4.02 -0.22 2.72 3.52 -0.58 -0.36 118.95 129.37 3haz s ARG 339 Ca 0.02 0.38 -0.18 0.00 -0.13 0.00 0.00 55.73 55.82 3haz s ARG 339 Cb -0.15 -3.68 -0.03 0.00 -1.56 0.00 0.00 34.95 29.53 3haz s ARG 339 CO -0.07 -0.45 0.49 -1.17 -0.81 0.00 0.00 175.30 173.30 3haz s LEU 340 N 2.47 4.12 0.35 -0.88 2.96 0.13 -0.51 118.68 127.32 3haz s LEU 340 Ca 0.24 0.60 0.05 0.00 -0.22 0.00 0.00 54.13 54.80 3haz s LEU 340 Cb -0.15 -2.65 -0.07 0.00 0.50 0.00 0.00 46.19 43.81 3haz s LEU 340 CO 0.10 -0.19 0.03 0.68 -1.32 0.00 0.00 176.35 175.66 3haz s VAL 341 N 1.74 1.48 -0.08 1.68 -7.23 -0.01 -2.01 120.40 115.98 3haz s VAL 341 Ca 0.22 -2.01 -0.01 0.00 -1.81 0.00 0.00 61.98 58.37 3haz s VAL 341 Cb -0.15 -2.84 -0.00 0.00 0.56 0.00 0.00 36.38 33.95 3haz s VAL 341 CO 0.09 -0.02 -0.03 0.11 -0.31 0.00 0.00 175.10 174.94 3haz h LYS 342 N 2.02 0.00 0.00 4.82 1.57 -1.83 0.70 116.57 123.85 3haz h LYS 342 Ca -0.42 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.36 3haz h LYS 342 Cb 1.24 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.55 3haz h LYS 342 CO 0.73 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 180.02 3haz n GLY 343 N 1.81 4.10 0.66 3.86 0.00 -1.26 -0.69 105.19 113.66 3haz n GLY 343 Ca -0.01 -0.39 0.11 0.00 0.00 0.00 0.00 46.02 45.73 3haz n GLY 343 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3haz n ALA 344 N -0.94 3.11 -1.54 4.61 0.00 -1.26 -4.51 120.51 119.97 3haz n ALA 344 Ca 0.00 -0.66 0.07 0.00 0.00 0.00 0.00 53.44 52.85 3haz n ALA 344 Cb 0.00 -0.78 0.17 0.00 0.00 0.00 0.00 19.45 18.84 3haz n ALA 344 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3haz n TYR 345 N 0.50 0.00 0.05 0.00 4.02 -1.26 -4.88 117.16 115.60 3haz n TYR 345 Ca 0.11 -1.24 -0.11 0.00 -0.01 0.00 0.00 57.90 56.65 3haz n TYR 345 Cb 0.51 -0.21 -0.04 0.00 -0.02 0.00 0.00 39.34 39.57 3haz n TYR 345 CO 0.00 0.00 0.00 2.35 -1.01 0.00 0.00 176.86 178.20 3haz h TRP 346 N 0.70 -0.53 -0.90 -0.72 7.01 -2.00 -0.43 115.95 119.09 3haz h TRP 346 Ca -0.02 0.02 0.06 0.00 2.11 0.00 0.00 58.89 61.06 3haz h TRP 346 Cb 1.08 0.24 -0.06 0.00 -2.10 0.00 0.00 29.16 28.32 3haz h TRP 346 CO 0.49 -0.28 0.58 -0.44 -2.79 0.00 0.00 178.44 176.00 3haz h ASP 347 N -0.32 0.90 -0.54 2.65 3.32 -1.97 -1.58 116.42 118.88 3haz h ASP 347 Ca 0.06 0.01 -0.04 0.00 0.02 0.00 0.00 57.03 57.07 3haz h ASP 347 Cb 0.40 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.74 3haz h ASP 347 CO -0.19 0.58 0.17 0.74 -1.72 0.00 0.00 179.24 178.81 3haz h THR 348 N 1.02 1.23 -0.71 0.35 2.02 -1.64 -2.26 112.91 112.92 3haz h THR 348 Ca 0.39 -0.79 -0.06 0.00 0.77 0.00 0.00 66.41 66.71 3haz h THR 348 Cb 0.20 0.74 -0.03 0.00 -1.74 0.00 0.00 68.15 67.32 3haz h THR 348 CO -0.14 0.29 0.21 -0.33 0.37 0.00 0.00 175.52 175.92 3haz h GLU 349 N 0.74 1.11 -0.12 6.66 4.39 -0.17 -0.65 114.58 126.54 3haz h GLU 349 Ca 0.17 -0.24 -0.01 0.00 0.34 0.00 0.00 59.36 59.63 3haz h GLU 349 Cb 0.28 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 28.77 3haz h GLU 349 CO -0.01 0.95 0.05 0.82 -1.16 0.00 0.00 179.01 179.66 3haz h ILE 350 N 1.06 1.16 -0.38 3.13 1.08 -1.22 -1.88 117.51 120.46 3haz h ILE 350 Ca 0.23 -0.48 -0.03 0.00 -0.39 0.00 0.00 64.86 64.20 3haz h ILE 350 Cb 0.31 1.25 -0.02 0.00 -3.07 0.00 0.00 36.82 35.29 3haz h ILE 350 CO -0.01 0.14 0.13 0.50 -0.69 0.00 0.00 178.15 178.23 3haz h LYS 351 N 0.04 0.59 -0.02 2.37 3.64 -1.21 -2.36 116.57 119.60 3haz h LYS 351 Ca 0.04 -0.12 0.01 0.00 -1.27 0.00 0.00 60.65 59.31 3haz h LYS 351 Cb 0.18 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.91 3haz h LYS 351 CO -0.00 0.58 -0.02 0.00 -2.27 0.00 0.00 179.45 177.74 3haz h ARG 352 N 0.47 -0.02 -0.87 1.90 3.08 -1.07 0.64 114.38 118.50 3haz h ARG 352 Ca 0.12 0.00 0.07 0.00 0.07 0.00 0.00 59.98 60.24 3haz h ARG 352 Cb 0.23 0.01 -0.06 0.00 0.08 0.00 0.00 29.97 30.22 3haz h ARG 352 CO -0.01 -0.02 0.54 0.00 -1.07 0.00 0.00 179.97 179.41 3haz h ALA 353 N 0.99 1.21 0.11 0.04 0.00 -1.26 0.22 119.26 120.57 3haz h ALA 353 Ca 0.01 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 3haz h ALA 353 Cb 0.05 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.61 3haz h ALA 353 CO -0.03 0.26 -0.05 1.96 0.00 0.00 0.00 179.25 181.39 3haz h GLN 354 N 0.96 -0.15 -1.01 0.00 4.20 -1.06 -1.31 115.11 116.75 3haz h GLN 354 Ca 0.39 0.01 0.08 0.00 0.06 0.00 0.00 58.65 59.19 3haz h GLN 354 Cb 0.21 0.03 -0.07 0.00 0.30 0.00 0.00 27.48 27.95 3haz h GLN 354 CO -0.19 0.13 0.65 0.93 -0.67 0.00 0.00 178.83 179.68 3haz h GLU 355 N -0.42 1.09 -0.01 1.46 5.08 -0.53 -2.49 114.58 118.75 3haz h GLU 355 Ca -0.02 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 3haz h GLU 355 Cb 0.35 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 29.35 3haz h GLU 355 CO 0.03 0.72 -0.01 0.54 -1.00 0.00 0.00 179.01 179.29 3haz n ARG 356 N -4.54 1.57 -3.72 2.33 1.74 0.73 -4.93 116.66 109.84 3haz n ARG 356 Ca 0.17 -0.85 -0.26 0.00 -0.77 0.00 0.00 57.85 56.14 3haz n ARG 356 Cb 0.24 -1.48 0.05 0.00 -1.02 0.00 0.00 32.46 30.26 3haz n ARG 356 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3haz n GLY 357 N 1.16 -0.49 3.76 -0.13 0.00 -0.58 -3.27 105.19 105.64 3haz n GLY 357 Ca 0.19 0.21 -0.30 0.00 0.00 0.00 0.00 46.02 46.13 3haz n GLY 357 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3haz s LEU 358 N -7.17 2.31 -0.05 0.99 1.43 -0.69 -1.28 118.68 114.22 3haz s LEU 358 Ca 0.52 1.31 0.06 0.00 -1.03 0.00 0.00 54.13 54.99 3haz s LEU 358 Cb -0.25 -3.78 0.25 0.00 0.03 0.00 0.00 46.19 42.45 3haz s LEU 358 CO 0.78 -2.39 1.01 -0.90 0.23 0.00 0.00 176.35 175.08 3haz n ASP 359 N -3.71 2.12 0.00 2.29 5.68 -1.26 -4.32 116.55 117.35 3haz n ASP 359 Ca 0.07 -2.20 0.00 0.00 -0.50 0.00 0.00 54.79 52.16 3haz n ASP 359 Cb 0.56 -0.42 0.00 0.00 -1.14 0.00 0.00 41.12 40.12 3haz n ASP 359 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3haz n GLY 360 N 0.45 -2.57 3.75 6.12 0.00 -1.26 -4.96 105.19 106.72 3haz n GLY 360 Ca 0.09 -1.36 -0.36 0.00 0.00 0.00 0.00 46.02 44.39 3haz n GLY 360 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3haz s TYR 361 N -2.04 3.37 -0.66 1.61 1.51 -1.26 -4.87 117.35 115.02 3haz s TYR 361 Ca 0.00 0.31 0.25 0.00 -1.01 0.00 0.00 57.07 56.61 3haz s TYR 361 Cb 0.00 -1.94 0.90 0.00 -0.11 0.00 0.00 41.96 40.81 3haz s TYR 361 CO 0.00 0.49 1.75 -0.35 -1.11 0.00 0.00 175.55 176.33 3haz n PRO 362 N 2.50 0.21 -4.11 -1.71 -0.04 -1.26 -4.49 135.00 126.09 3haz n PRO 362 Ca -0.18 0.29 -0.23 0.00 -0.04 0.00 0.00 63.50 63.34 3haz n PRO 362 Cb 0.54 -1.80 -0.06 0.00 -0.04 0.00 0.00 33.50 32.14 3haz n PRO 362 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3haz s VAL 363 N -3.18 3.45 0.74 0.52 -7.23 -1.26 -1.73 120.40 111.72 3haz s VAL 363 Ca 0.08 -1.66 -0.11 0.00 -1.81 0.00 0.00 61.98 58.49 3haz s VAL 363 Cb 0.11 -3.04 0.04 0.00 0.56 0.00 0.00 36.38 34.05 3haz s VAL 363 CO 0.49 -0.26 1.08 -0.36 -0.31 0.00 0.00 175.10 175.74 3haz s PHE 364 N -2.33 2.82 -0.26 2.82 0.08 -0.47 -4.86 117.98 115.77 3haz s PHE 364 Ca 0.36 1.47 0.03 0.00 0.12 0.00 0.00 56.93 58.90 3haz s PHE 364 Cb -0.05 -2.98 0.00 0.00 -0.57 0.00 0.00 43.02 39.42 3haz s PHE 364 CO 0.23 -1.57 0.39 0.25 -0.10 0.00 0.00 175.22 174.42 3haz n THR 365 N -3.36 0.00 -4.51 0.64 -2.24 -1.26 -4.93 114.28 98.62 3haz n THR 365 Ca 0.08 -0.47 -0.34 0.00 -2.27 0.00 0.00 64.05 61.05 3haz n THR 365 Cb 0.53 1.04 -0.12 0.00 -2.10 0.00 0.00 70.33 69.68 3haz n THR 365 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3haz s ARG 366 N -0.66 3.50 0.24 -0.78 0.52 -1.26 -4.31 118.95 116.21 3haz s ARG 366 Ca 0.02 -0.56 -0.05 0.00 -0.52 0.00 0.00 55.73 54.63 3haz s ARG 366 Cb 0.02 -2.81 0.35 0.00 0.52 0.00 0.00 34.95 33.03 3haz s ARG 366 CO 0.07 0.29 1.85 -0.22 0.02 0.00 0.00 175.30 177.30 3haz h LYS 367 N 6.51 0.93 0.00 3.54 3.11 -1.93 0.09 116.57 128.83 3haz h LYS 367 Ca -0.32 -0.06 -0.01 0.00 -2.81 0.00 0.00 60.65 57.46 3haz h LYS 367 Cb 1.19 -0.21 -0.00 0.00 -1.00 0.00 0.00 32.23 32.21 3haz h LYS 367 CO 0.60 0.62 -0.03 0.00 -2.81 0.00 0.00 179.45 177.83 3haz h ALA 368 N 1.42 1.72 -0.24 5.00 0.00 -1.95 -0.29 119.26 124.91 3haz h ALA 368 Ca 0.38 -0.03 -0.14 0.00 0.00 0.00 0.00 54.91 55.12 3haz h ALA 368 Cb 0.20 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3haz h ALA 368 CO -0.18 0.04 -0.44 0.52 0.00 0.00 0.00 179.25 179.19 3haz h MET 369 N 0.00 0.60 -0.46 0.00 2.86 -1.31 -1.35 114.93 115.27 3haz h MET 369 Ca -0.00 -0.32 -0.04 0.00 -2.06 0.00 0.00 59.70 57.28 3haz h MET 369 Cb 0.07 0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.72 3haz h MET 369 CO 0.00 0.92 0.13 1.15 1.06 0.00 0.00 176.91 180.17 3haz h THR 370 N 0.48 1.23 -0.56 2.22 2.02 -0.92 -1.08 112.91 116.30 3haz h THR 370 Ca 0.03 -0.79 -0.00 0.00 0.77 0.00 0.00 66.41 66.42 3haz h THR 370 Cb 0.96 0.87 -0.03 0.00 -1.74 0.00 0.00 68.15 68.21 3haz h THR 370 CO 0.09 0.28 0.34 0.44 0.37 0.00 0.00 175.52 177.03 3haz h ASP 371 N 0.61 0.68 0.05 4.18 3.32 -1.25 0.22 116.42 124.22 3haz h ASP 371 Ca 0.15 -0.06 0.01 0.00 0.02 0.00 0.00 57.03 57.14 3haz h ASP 371 Cb 0.30 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.67 3haz h ASP 371 CO -0.00 0.54 -0.07 -0.07 -1.72 0.00 0.00 179.24 177.92 3haz h LEU 372 N 0.76 -0.18 -1.31 1.55 3.38 -1.16 -2.11 115.31 116.23 3haz h LEU 372 Ca 0.20 0.02 -0.06 0.00 0.09 0.00 0.00 57.88 58.13 3haz h LEU 372 Cb -0.01 0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 3haz h LEU 372 CO -0.04 -0.10 -0.22 -1.13 0.09 0.00 0.00 178.44 177.04 3haz h ASN 373 N -0.14 0.18 0.15 -0.43 -1.24 -0.86 -0.66 115.58 112.59 3haz h ASN 373 Ca 0.01 -0.05 -0.01 0.00 0.71 0.00 0.00 56.30 56.97 3haz h ASN 373 Cb 0.15 -0.05 0.00 0.00 0.73 0.00 0.00 38.32 39.15 3haz h ASN 373 CO -0.04 0.41 -0.07 0.22 -1.29 0.00 0.00 177.43 176.67 3haz h TYR 374 N 0.18 -0.18 -0.70 0.67 3.20 -0.35 0.45 116.97 120.24 3haz h TYR 374 Ca 0.03 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.89 3haz h TYR 374 Cb 0.49 0.06 -0.03 0.00 1.54 0.00 0.00 36.73 38.78 3haz h TYR 374 CO 0.01 0.03 0.40 0.28 -1.64 0.00 0.00 178.16 177.24 3haz h VAL 375 N -0.37 1.21 -0.70 1.81 2.07 -1.09 0.14 116.25 119.32 3haz h VAL 375 Ca -0.02 -0.50 0.02 0.00 0.82 0.00 0.00 66.70 67.02 3haz h VAL 375 Cb 0.30 0.27 -0.04 0.00 -1.52 0.00 0.00 31.29 30.30 3haz h VAL 375 CO 0.03 0.23 0.45 0.00 0.02 0.00 0.00 177.57 178.30 3haz h ALA 376 N 1.20 0.91 -0.13 1.67 0.00 -1.06 -0.91 119.26 120.94 3haz h ALA 376 Ca 0.25 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 55.02 3haz h ALA 376 Cb 0.01 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 3haz h ALA 376 CO -0.04 0.24 -0.41 0.00 0.00 0.00 0.00 179.25 179.05 3haz h ALA 378 N 1.34 0.77 -0.40 0.00 0.00 -0.30 -0.35 119.26 120.32 3haz h ALA 378 Ca 0.02 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 3haz h ALA 378 Cb 0.82 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 3haz h ALA 378 CO 0.07 0.67 0.22 1.03 0.00 0.00 0.00 179.25 181.23 3haz h SER 379 N 0.88 0.50 -0.50 0.00 0.87 -0.97 -0.01 113.55 114.31 3haz h SER 379 Ca 0.13 -0.08 -0.00 0.00 -1.23 0.00 0.00 61.79 60.61 3haz h SER 379 Cb 0.70 -0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 62.51 3haz h SER 379 CO 0.05 0.44 0.31 0.50 -0.53 0.00 0.00 176.83 177.60 3haz h LYS 380 N 0.51 0.67 -0.59 2.24 3.64 -1.22 -2.51 116.57 119.32 3haz h LYS 380 Ca 0.14 -0.06 -0.09 0.00 -1.27 0.00 0.00 60.65 59.38 3haz h LYS 380 Cb 0.05 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 31.70 3haz h LYS 380 CO -0.02 0.48 0.02 -0.07 -2.27 0.00 0.00 179.45 177.58 3haz h LEU 381 N 0.67 1.01 -1.45 5.20 3.38 -0.80 -2.92 115.31 120.41 3haz h LEU 381 Ca 0.18 -0.30 -0.02 0.00 0.09 0.00 0.00 57.88 57.84 3haz h LEU 381 Cb -0.03 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.43 3haz h LEU 381 CO -0.04 1.06 0.17 -0.07 0.09 0.00 0.00 178.44 179.66 3haz h LEU 382 N 0.93 0.49 0.00 1.67 3.38 -0.75 -1.12 115.31 119.90 3haz h LEU 382 Ca 0.17 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.10 3haz h LEU 382 Cb 0.53 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.16 3haz h LEU 382 CO 0.03 0.43 0.00 0.00 0.09 0.00 0.00 178.44 178.99 3haz n ALA 383 N -2.47 2.29 1.13 1.53 0.00 -0.97 -3.02 120.51 119.01 3haz n ALA 383 Ca 0.03 -0.11 0.12 0.00 0.00 0.00 0.00 53.44 53.48 3haz n ALA 383 Cb 0.13 -1.45 0.34 0.00 0.00 0.00 0.00 19.45 18.47 3haz n ALA 383 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3haz n LEU 384 N -1.44 2.19 -4.77 0.00 4.77 -0.43 -4.91 117.00 112.42 3haz n LEU 384 Ca 0.09 -0.82 -0.34 0.00 -0.03 0.00 0.00 56.01 54.91 3haz n LEU 384 Cb 0.29 -0.07 0.03 0.00 -2.33 0.00 0.00 43.42 41.35 3haz n LEU 384 CO 0.24 0.41 0.77 -0.13 -1.33 0.00 0.00 177.39 177.35 3haz s ARG 385 N -1.87 2.97 0.00 3.23 0.52 -1.17 -2.26 118.95 120.37 3haz s ARG 385 Ca 0.34 1.54 0.26 0.00 -0.52 0.00 0.00 55.73 57.35 3haz s ARG 385 Cb 0.20 -1.96 0.56 0.00 0.52 0.00 0.00 34.95 34.28 3haz s ARG 385 CO 0.31 -1.14 1.47 -0.35 0.02 0.00 0.00 175.30 175.60 3haz n PRO 386 N -1.95 2.00 -0.30 3.54 -0.05 -1.26 -4.84 135.00 132.13 3haz n PRO 386 Ca 0.11 -1.48 -0.04 0.00 -0.05 0.00 0.00 63.50 62.04 3haz n PRO 386 Cb 0.51 -1.47 0.07 0.00 -0.05 0.00 0.00 33.50 32.57 3haz n PRO 386 CO 0.00 0.00 0.00 -0.09 -0.05 0.00 0.00 175.50 175.36 3haz h ARG 387 N 3.61 1.13 -5.12 0.54 2.43 -1.91 -3.39 114.38 111.66 3haz h ARG 387 Ca 0.00 -0.11 -0.62 0.00 -0.81 0.00 0.00 59.98 58.44 3haz h ARG 387 Cb 0.77 -0.23 -0.15 0.00 -0.42 0.00 0.00 29.97 29.94 3haz h ARG 387 CO 0.00 0.81 -0.52 0.42 -1.51 0.00 0.00 179.97 179.16 3haz s ILE 388 N -5.92 5.17 -0.47 1.20 -1.09 -0.96 -2.27 121.20 116.87 3haz s ILE 388 Ca -0.13 0.11 -0.15 0.00 -2.23 0.00 0.00 60.65 58.25 3haz s ILE 388 Cb 0.16 -3.40 0.07 0.00 -1.58 0.00 0.00 42.46 37.72 3haz s ILE 388 CO 0.81 0.37 0.40 0.12 -1.23 0.00 0.00 174.94 175.41 3haz s PHE 389 N 0.93 3.25 0.18 3.97 5.36 -0.05 -3.89 117.98 127.72 3haz s PHE 389 Ca 0.07 -0.95 -0.30 0.00 -0.96 0.00 0.00 56.93 54.79 3haz s PHE 389 Cb -0.13 -3.18 -0.08 0.00 -0.34 0.00 0.00 43.02 39.29 3haz s PHE 389 CO 0.03 -0.80 1.11 -2.14 -1.46 0.00 0.00 175.22 171.96 3haz s PRO 390 N 1.64 4.59 -0.27 10.12 0.02 -1.25 -1.25 135.00 148.60 3haz s PRO 390 Ca 0.04 1.73 0.02 0.00 0.02 0.00 0.00 61.00 62.81 3haz s PRO 390 Cb -0.24 -3.27 0.07 0.00 0.02 0.00 0.00 34.50 31.07 3haz s PRO 390 CO 0.06 0.07 -0.04 -0.65 -0.33 0.00 0.00 177.00 176.11 3haz s GLN 391 N -0.40 1.73 -0.59 5.54 -0.21 0.51 -1.24 119.66 125.00 3haz s GLN 391 Ca 0.49 -1.26 -0.19 0.00 0.02 0.00 0.00 55.36 54.43 3haz s GLN 391 Cb -0.30 -2.75 0.10 0.00 1.00 0.00 0.00 33.01 31.07 3haz s GLN 391 CO 0.35 -0.67 0.72 -0.06 -2.12 0.00 0.00 175.29 173.51 3haz s PHE 392 N 1.23 2.98 -0.33 0.91 0.08 0.38 -0.69 117.98 122.54 3haz s PHE 392 Ca -0.03 -0.93 -0.22 0.00 0.12 0.00 0.00 56.93 55.87 3haz s PHE 392 Cb -0.19 -4.02 0.00 0.00 -0.57 0.00 0.00 43.02 38.24 3haz s PHE 392 CO -0.07 -1.31 0.71 0.00 -0.10 0.00 0.00 175.22 174.45 3haz s ALA 393 N 2.77 3.49 -0.19 5.36 0.00 -0.85 -1.02 121.76 131.31 3haz s ALA 393 Ca 0.12 -0.64 -0.29 0.00 0.00 0.00 0.00 51.96 51.15 3haz s ALA 393 Cb -0.24 -3.24 0.13 0.00 0.00 0.00 0.00 23.12 19.78 3haz s ALA 393 CO 0.07 -1.28 1.05 -0.08 0.00 0.00 0.00 175.76 175.52 3haz s THR 394 N 2.86 0.00 -0.33 0.00 -1.32 -1.04 -4.54 115.64 111.27 3haz s THR 394 Ca 0.29 0.00 0.16 0.00 -1.21 0.00 0.00 61.69 60.92 3haz s THR 394 Cb -0.14 -1.00 0.51 0.00 -1.51 0.00 0.00 72.50 70.35 3haz s THR 394 CO 0.14 0.00 1.41 1.41 -2.21 0.00 0.00 174.62 175.37 3haz n HIS 395 N 0.95 0.91 -3.22 9.09 8.25 -1.26 -4.77 115.22 125.18 3haz n HIS 395 Ca -0.10 -0.80 -0.41 0.00 -0.26 0.00 0.00 57.72 56.16 3haz n HIS 395 Cb 0.58 -0.27 -0.07 0.00 1.12 0.00 0.00 29.99 31.34 3haz n HIS 395 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 3haz s ASN 396 N -1.70 6.40 0.22 0.41 3.84 -1.26 -4.73 114.94 118.12 3haz s ASN 396 Ca 0.39 0.33 -0.08 0.00 0.21 0.00 0.00 52.86 53.72 3haz s ASN 396 Cb 0.31 -2.28 0.19 0.00 -0.55 0.00 0.00 41.25 38.92 3haz s ASN 396 CO 0.11 -0.38 1.87 0.00 -2.79 0.00 0.00 177.10 175.90 3haz h ALA 397 N 8.19 1.10 -0.47 1.71 0.00 -1.94 -0.28 119.26 127.57 3haz h ALA 397 Ca -0.28 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.47 3haz h ALA 397 Cb 1.13 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 3haz h ALA 397 CO 0.75 0.57 0.08 1.25 0.00 0.00 0.00 179.25 181.89 3haz h LEU 398 N 1.19 0.75 -0.41 0.00 5.85 -1.89 -0.37 115.31 120.43 3haz h LEU 398 Ca 0.31 -0.26 -0.01 0.00 0.84 0.00 0.00 57.88 58.76 3haz h LEU 398 Cb -0.03 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 40.78 3haz h LEU 398 CO -0.06 0.82 0.21 0.74 -0.34 0.00 0.00 178.44 179.82 3haz h THR 399 N 0.65 1.17 0.38 1.05 2.02 -1.87 -0.32 112.91 115.98 3haz h THR 399 Ca 0.14 -0.45 -0.01 0.00 0.77 0.00 0.00 66.41 66.86 3haz h THR 399 Cb 0.39 0.71 -0.01 0.00 -1.74 0.00 0.00 68.15 67.50 3haz h THR 399 CO 0.01 0.18 -0.24 0.58 0.37 0.00 0.00 175.52 176.41 3haz h VAL 400 N 0.53 0.49 -0.98 3.16 2.07 -0.91 -1.51 116.25 119.10 3haz h VAL 400 Ca 0.14 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.74 3haz h VAL 400 Cb 0.09 0.49 -0.07 0.00 -1.52 0.00 0.00 31.29 30.28 3haz h VAL 400 CO -0.02 0.00 0.63 0.00 0.02 0.00 0.00 177.57 178.20 3haz h ALA 401 N -0.02 1.46 -0.38 1.67 0.00 -0.91 -0.42 119.26 120.68 3haz h ALA 401 Ca -0.04 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.70 3haz h ALA 401 Cb 0.50 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 3haz h ALA 401 CO 0.03 0.36 -0.40 1.15 0.00 0.00 0.00 179.25 180.40 3haz h THR 402 N 1.10 1.27 -0.14 0.00 2.02 -0.87 -2.10 112.91 114.19 3haz h THR 402 Ca 0.44 -1.57 -0.18 0.00 0.77 0.00 0.00 66.41 65.87 3haz h THR 402 Cb 0.27 1.40 -0.00 0.00 -1.74 0.00 0.00 68.15 68.07 3haz h THR 402 CO -0.19 0.52 -0.66 0.58 0.37 0.00 0.00 175.52 176.14 3haz h VAL 403 N 0.75 1.34 -0.23 3.16 2.07 -0.80 -2.30 116.25 120.23 3haz h VAL 403 Ca 0.06 -1.97 0.01 0.00 0.82 0.00 0.00 66.70 65.62 3haz h VAL 403 Cb 0.99 1.94 -0.02 0.00 -1.52 0.00 0.00 31.29 32.69 3haz h VAL 403 CO 0.10 0.61 0.13 0.25 0.02 0.00 0.00 177.57 178.67 3haz h LEU 404 N 0.39 0.21 -0.07 2.57 5.85 -1.02 -1.67 115.31 121.57 3haz h LEU 404 Ca -0.02 0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.73 3haz h LEU 404 Cb 1.23 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 42.19 3haz h LEU 404 CO 0.12 0.16 -0.08 -0.08 -0.34 0.00 0.00 178.44 178.22 3haz h GLU 405 N 0.28 -0.10 -0.27 1.25 4.57 -1.27 -2.35 114.58 116.69 3haz h GLU 405 Ca 0.09 0.01 0.04 0.00 -1.18 0.00 0.00 59.36 58.32 3haz h GLU 405 Cb -0.00 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.60 3haz h GLU 405 CO -0.04 -0.07 0.18 0.52 -1.18 0.00 0.00 179.01 178.42 3haz h MET 406 N -0.11 0.18 -0.24 1.92 2.86 -1.21 -1.39 114.93 116.94 3haz h MET 406 Ca 0.05 -0.01 -0.03 0.00 -2.06 0.00 0.00 59.70 57.66 3haz h MET 406 Cb 0.18 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.79 3haz h MET 406 CO -0.13 0.12 0.03 0.00 1.06 0.00 0.00 176.91 177.98 3haz h ALA 407 N 1.86 1.60 0.00 6.32 0.00 -0.74 -3.45 119.26 124.84 3haz h ALA 407 Ca 0.12 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3haz h ALA 407 Cb 0.23 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3haz h ALA 407 CO -0.02 0.30 0.00 0.39 0.00 0.00 0.00 179.25 179.92 3haz n GLU 408 N -4.37 0.00 0.00 0.00 1.02 -0.52 -4.76 120.64 112.01 3haz n GLU 408 Ca 0.01 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.15 3haz n GLU 408 Cb 0.18 -1.45 0.00 0.00 -0.02 0.00 0.00 31.44 30.15 3haz n GLU 408 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3haz n GLY 409 N 0.00 6.75 0.00 0.62 0.00 -1.26 -5.09 105.19 106.20 3haz n GLY 409 Ca 0.00 -1.97 0.00 0.00 0.00 0.00 0.00 46.02 44.05 3haz n GLY 409 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3haz n SER 410 N 0.00 0.11 -4.64 1.61 3.41 -1.26 -4.99 113.62 107.85 3haz n SER 410 Ca 0.00 -0.69 -0.23 0.00 -0.26 0.00 0.00 58.87 57.69 3haz n SER 410 Cb 0.00 0.06 -0.07 0.00 -0.26 0.00 0.00 64.21 63.93 3haz n SER 410 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3haz s SER 411 N -0.06 4.50 0.00 4.04 1.04 -1.26 -4.62 113.70 117.34 3haz s SER 411 Ca 0.00 -0.69 0.00 0.00 0.48 0.00 0.00 55.95 55.74 3haz s SER 411 Cb 0.00 -0.80 0.00 0.00 0.10 0.00 0.00 66.02 65.32 3haz s SER 411 CO 0.00 -0.03 0.00 0.61 0.98 0.00 0.00 173.24 174.80 3haz n GLY 412 N -0.91 0.75 3.63 7.32 0.00 -1.26 -5.02 105.19 109.69 3haz n GLY 412 Ca -0.06 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.84 3haz n GLY 412 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3haz s PHE 413 N -2.53 0.62 0.12 1.61 -0.12 -1.26 -3.81 117.98 112.61 3haz s PHE 413 Ca 0.00 -1.03 -0.14 0.00 -0.05 0.00 0.00 56.93 55.71 3haz s PHE 413 Cb 0.00 0.30 0.02 0.00 -0.63 0.00 0.00 43.02 42.71 3haz s PHE 413 CO 0.00 -1.28 0.36 -1.83 -0.05 0.00 0.00 175.22 172.41 3haz s GLU 414 N -2.90 1.04 0.49 1.99 -1.05 -0.37 -4.68 118.70 113.22 3haz s GLU 414 Ca 0.24 -0.79 0.03 0.00 -0.15 0.00 0.00 54.97 54.30 3haz s GLU 414 Cb -0.02 0.44 0.02 0.00 -0.44 0.00 0.00 34.13 34.13 3haz s GLU 414 CO 0.16 -0.39 0.69 -0.06 0.95 0.00 0.00 175.26 176.60 3haz s PHE 415 N -3.83 2.91 0.00 4.83 0.40 -0.40 -0.47 117.98 121.43 3haz s PHE 415 Ca 0.04 -0.09 -0.04 0.00 -0.60 0.00 0.00 56.93 56.24 3haz s PHE 415 Cb 0.02 -2.55 -0.01 0.00 0.51 0.00 0.00 43.02 41.00 3haz s PHE 415 CO -0.11 -0.63 0.06 -0.65 0.70 0.00 0.00 175.22 174.59 3haz s GLN 416 N -4.59 0.35 0.09 0.44 -0.21 -0.19 -0.89 119.66 114.65 3haz s GLN 416 Ca 0.55 -0.38 -0.05 0.00 0.02 0.00 0.00 55.36 55.50 3haz s GLN 416 Cb -0.10 0.14 -0.02 0.00 1.00 0.00 0.00 33.01 34.02 3haz s GLN 416 CO 0.36 -0.07 0.09 -0.98 -2.12 0.00 0.00 175.29 172.58 3haz s ARG 417 N -1.15 0.79 -0.14 2.91 1.70 -0.37 -2.48 118.95 120.22 3haz s ARG 417 Ca -0.12 -1.16 -0.14 0.00 -0.47 0.00 0.00 55.73 53.84 3haz s ARG 417 Cb -0.07 0.28 -0.05 0.00 -0.57 0.00 0.00 34.95 34.54 3haz s ARG 417 CO 0.00 -0.22 0.32 -1.17 -1.08 0.00 0.00 175.30 173.16 3haz s LEU 418 N -2.92 4.28 0.12 -1.89 2.96 -1.26 -1.57 118.68 118.39 3haz s LEU 418 Ca 0.10 0.59 -0.35 0.00 -0.22 0.00 0.00 54.13 54.25 3haz s LEU 418 Cb 0.06 -2.43 -0.16 0.00 0.50 0.00 0.00 46.19 44.16 3haz s LEU 418 CO -0.08 0.12 1.32 1.57 -1.32 0.00 0.00 176.35 177.96 3haz n HIS 419 N 3.36 1.54 -0.28 5.38 -0.00 0.16 -0.67 115.22 124.72 3haz n HIS 419 Ca -0.12 0.61 0.00 0.00 -0.00 0.00 0.00 57.72 58.21 3haz n HIS 419 Cb 0.52 -2.34 0.00 0.00 -0.00 0.00 0.00 29.99 28.17 3haz n HIS 419 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 3haz n GLY 420 N 2.45 0.68 3.00 1.57 0.00 -1.26 -4.93 105.19 106.69 3haz n GLY 420 Ca 0.17 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.08 3haz n GLY 420 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3haz s MET 421 N -0.72 0.26 -1.66 1.61 -1.94 0.16 -4.69 119.30 112.32 3haz s MET 421 Ca 0.00 -0.26 0.00 0.00 -1.71 0.00 0.00 55.69 53.72 3haz s MET 421 Cb 0.00 0.10 0.00 0.00 2.01 0.00 0.00 34.83 36.94 3haz s MET 421 CO 0.00 -0.05 0.00 0.41 -0.01 0.00 0.00 175.02 175.37 3haz n GLY 422 N 2.17 1.30 0.34 -0.03 0.00 -1.26 -4.37 105.19 103.34 3haz n GLY 422 Ca -0.19 -0.24 -0.15 0.00 0.00 0.00 0.00 46.02 45.43 3haz n GLY 422 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3haz h GLU 423 N 0.00 -0.79 -0.66 1.61 4.81 -1.91 -1.72 114.58 115.92 3haz h GLU 423 Ca -0.34 0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 58.92 3haz h GLU 423 Cb 1.09 0.18 -0.03 0.00 0.63 0.00 0.00 28.75 30.62 3haz h GLU 423 CO 0.48 -0.48 0.31 0.00 -0.73 0.00 0.00 179.01 178.59 3haz h ALA 424 N -0.82 1.31 0.49 2.92 0.00 -1.91 -1.36 119.26 119.90 3haz h ALA 424 Ca -0.08 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 3haz h ALA 424 Cb 0.68 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 3haz h ALA 424 CO 0.14 0.53 -0.50 1.25 0.00 0.00 0.00 179.25 180.67 3haz h LEU 425 N 0.93 -1.36 -0.88 0.00 6.46 -1.81 -2.25 115.31 116.41 3haz h LEU 425 Ca 0.23 0.11 -0.08 0.00 -0.12 0.00 0.00 57.88 58.02 3haz h LEU 425 Cb 0.10 0.45 -0.01 0.00 -0.73 0.00 0.00 40.66 40.47 3haz h LEU 425 CO -0.03 -0.66 -0.39 1.88 -0.62 0.00 0.00 178.44 178.62 3haz h TYR 426 N -0.99 0.00 -0.41 1.25 -1.99 -1.12 -1.14 116.97 112.58 3haz h TYR 426 Ca -0.06 0.00 -0.04 0.00 2.00 0.00 0.00 58.73 60.64 3haz h TYR 426 Cb 0.86 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.58 3haz h TYR 426 CO -0.25 0.39 0.11 0.93 -0.00 0.00 0.00 178.16 179.34 3haz h GLU 427 N 0.00 0.64 -0.43 4.88 5.08 -1.23 -1.00 114.58 122.52 3haz h GLU 427 Ca -0.00 -0.15 -0.05 0.00 -1.00 0.00 0.00 59.36 58.16 3haz h GLU 427 Cb 0.93 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 30.08 3haz h GLU 427 CO 0.05 0.65 0.09 0.37 -1.00 0.00 0.00 179.01 179.17 3haz h GLN 428 N 0.51 0.70 -1.00 2.33 5.75 -1.06 -1.22 115.11 121.12 3haz h GLN 428 Ca 0.13 -0.18 0.11 0.00 -0.15 0.00 0.00 58.65 58.57 3haz h GLN 428 Cb 0.29 -0.09 -0.08 0.00 1.07 0.00 0.00 27.48 28.67 3haz h GLN 428 CO -0.00 0.72 0.63 1.25 -2.65 0.00 0.00 178.83 178.78 3haz h LEU 429 N 0.56 0.94 -0.30 -2.39 5.85 -1.11 -1.25 115.31 117.61 3haz h LEU 429 Ca 0.13 0.04 -0.08 0.00 0.84 0.00 0.00 57.88 58.82 3haz h LEU 429 Cb 0.35 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.22 3haz h LEU 429 CO 0.00 0.51 -0.13 0.00 -0.34 0.00 0.00 178.44 178.49 3haz h ALA 430 N 1.53 0.42 -0.71 1.25 0.00 -0.71 -0.13 119.26 120.91 3haz h ALA 430 Ca 0.49 -0.32 0.06 0.00 0.00 0.00 0.00 54.91 55.14 3haz h ALA 430 Cb 0.45 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.08 3haz h ALA 430 CO -0.25 0.29 0.41 0.87 0.00 0.00 0.00 179.25 180.57 3haz h LYS 431 N 0.36 0.72 0.00 0.00 1.57 -0.56 -2.77 116.57 115.90 3haz h LYS 431 Ca 0.07 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 3haz h LYS 431 Cb 0.64 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.79 3haz h LYS 431 CO 0.04 0.48 -0.28 -0.44 -0.57 0.00 0.00 179.45 178.68 3haz h ASP 432 N 0.74 0.00 -2.23 0.86 3.32 -1.09 -3.41 116.42 114.61 3haz h ASP 432 Ca 0.32 -0.04 -0.46 0.00 0.02 0.00 0.00 57.03 56.88 3haz h ASP 432 Cb 0.20 0.00 -0.35 0.00 0.22 0.00 0.00 39.33 39.41 3haz h ASP 432 CO -0.19 0.02 -0.75 -1.00 -1.72 0.00 0.00 179.24 175.60 3haz s HIS 433 N -3.20 0.12 -0.05 4.55 3.76 -0.07 -5.02 115.29 115.38 3haz s HIS 433 Ca 0.07 -1.13 0.30 0.00 -0.15 0.00 0.00 55.06 54.15 3haz s HIS 433 Cb 0.09 -0.62 1.41 0.00 1.11 0.00 0.00 32.58 34.57 3haz s HIS 433 CO 0.68 -0.91 1.89 0.00 -0.85 0.00 0.00 174.74 175.55 3haz h ALA 434 N 7.11 1.00 -0.02 -1.40 0.00 -1.79 -2.47 119.26 121.69 3haz h ALA 434 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3haz h ALA 434 Cb 1.02 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.81 3haz h ALA 434 CO 0.23 0.00 -0.14 -0.25 0.00 0.00 0.00 179.25 179.10 3haz n ASP 435 N -2.61 2.37 -4.74 0.00 8.00 -1.26 -4.93 116.55 113.38 3haz n ASP 435 Ca -0.00 -1.72 -0.41 0.00 0.71 0.00 0.00 54.79 53.37 3haz n ASP 435 Cb 0.17 0.13 -0.05 0.00 -0.02 0.00 0.00 41.12 41.35 3haz n ASP 435 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3haz s ILE 436 N -2.16 4.23 -0.03 0.53 -1.09 -0.93 -4.76 121.20 116.99 3haz s ILE 436 Ca 0.27 2.01 0.01 0.00 -2.23 0.00 0.00 60.65 60.71 3haz s ILE 436 Cb 0.20 -4.28 -0.03 0.00 -1.58 0.00 0.00 42.46 36.76 3haz s ILE 436 CO 0.39 0.38 -0.04 0.00 -1.23 0.00 0.00 174.94 174.45 3haz s ALA 437 N -0.52 3.12 -0.03 9.38 0.00 -1.26 -4.94 121.76 127.50 3haz s ALA 437 Ca 0.45 -0.94 -0.02 0.00 0.00 0.00 0.00 51.96 51.44 3haz s ALA 437 Cb -0.25 -1.26 0.01 0.00 0.00 0.00 0.00 23.12 21.62 3haz s ALA 437 CO 0.32 0.61 0.08 1.52 0.00 0.00 0.00 175.76 178.29 3haz s TYR 438 N -0.96 -0.08 -0.14 0.00 1.13 -1.26 -1.27 117.35 114.76 3haz s TYR 438 Ca 0.16 0.23 -0.13 0.00 -1.41 0.00 0.00 57.07 55.92 3haz s TYR 438 Cb -0.11 -0.01 -0.05 0.00 -1.10 0.00 0.00 41.96 40.69 3haz s TYR 438 CO 0.06 -0.06 0.29 0.50 -2.51 0.00 0.00 175.55 173.83 3haz s ARG 439 N 0.27 4.12 -0.20 -3.49 3.52 -0.07 -4.95 118.95 118.14 3haz s ARG 439 Ca -0.02 0.10 -0.05 0.00 -0.13 0.00 0.00 55.73 55.63 3haz s ARG 439 Cb -0.03 -3.37 -0.03 0.00 -1.56 0.00 0.00 34.95 29.96 3haz s ARG 439 CO -0.01 0.36 0.01 0.99 -0.81 0.00 0.00 175.30 175.84 3haz s THR 440 N 0.09 4.05 -0.11 4.11 2.01 -1.26 -1.24 115.64 123.30 3haz s THR 440 Ca 0.17 -0.28 -0.06 0.00 0.31 0.00 0.00 61.69 61.84 3haz s THR 440 Cb -0.13 -2.83 -0.04 0.00 0.01 0.00 0.00 72.50 69.51 3haz s THR 440 CO 0.05 0.43 0.10 -0.31 -0.69 0.00 0.00 174.62 174.20 3haz s TYR 441 N 0.94 3.48 -0.08 4.92 2.02 -0.61 -0.51 117.35 127.52 3haz s TYR 441 Ca 0.02 0.44 0.01 0.00 -0.37 0.00 0.00 57.07 57.17 3haz s TYR 441 Cb -0.14 -1.90 -0.03 0.00 -0.40 0.00 0.00 41.96 39.50 3haz s TYR 441 CO 0.02 0.66 -0.10 0.00 -1.57 0.00 0.00 175.55 174.56 3haz s ALA 442 N -1.00 2.81 0.03 3.71 0.00 0.29 0.41 121.76 128.01 3haz s ALA 442 Ca 0.15 -0.92 -0.30 0.00 0.00 0.00 0.00 51.96 50.88 3haz s ALA 442 Cb -0.12 -1.15 -0.06 0.00 0.00 0.00 0.00 23.12 21.79 3haz s ALA 442 CO 0.04 0.49 1.44 -2.14 0.00 0.00 0.00 175.76 175.59 3haz s PRO 443 N -0.52 4.27 -0.07 0.00 0.02 -1.26 -0.66 135.00 136.79 3haz s PRO 443 Ca 0.07 2.04 0.00 0.00 0.02 0.00 0.00 61.00 63.14 3haz s PRO 443 Cb -0.12 -3.53 0.02 0.00 0.02 0.00 0.00 34.50 30.90 3haz s PRO 443 CO 0.02 -0.58 -0.05 0.08 -0.33 0.00 0.00 177.00 176.14 3haz s VAL 444 N 2.24 0.66 -2.32 3.83 1.01 -0.79 -0.29 120.40 124.75 3haz s VAL 444 Ca 0.66 -0.14 0.00 0.00 0.00 0.00 0.00 61.98 62.49 3haz s VAL 444 Cb -0.34 -0.70 0.00 0.00 0.00 0.00 0.00 36.38 35.34 3haz s VAL 444 CO 0.28 0.28 0.00 0.61 0.00 0.00 0.00 175.10 176.26 3haz n GLY 445 N 4.42 -0.89 3.91 4.51 0.00 -0.43 -1.82 105.19 114.90 3haz n GLY 445 Ca -0.18 -0.91 -0.28 0.00 0.00 0.00 0.00 46.02 44.64 3haz n GLY 445 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3haz s SER 446 N -4.00 6.43 0.40 1.61 0.01 -1.26 -2.15 113.70 114.74 3haz s SER 446 Ca 0.00 0.68 0.12 0.00 1.31 0.00 0.00 55.95 58.06 3haz s SER 446 Cb 0.00 -2.13 0.95 0.00 0.21 0.00 0.00 66.02 65.05 3haz s SER 446 CO 0.00 -0.19 1.91 0.45 0.41 0.00 0.00 173.24 175.82 3haz h HIS 447 N 1.67 0.61 0.00 2.43 -0.00 -1.47 -1.30 115.15 117.08 3haz h HIS 447 Ca -0.48 0.02 0.00 0.00 -0.00 0.00 0.00 60.37 59.91 3haz h HIS 447 Cb 1.19 -0.19 0.00 0.00 -0.00 0.00 0.00 27.41 28.41 3haz h HIS 447 CO 0.57 0.24 0.00 2.89 -0.00 0.00 0.00 177.93 181.64 3haz n ARG 448 N -4.50 0.03 0.00 2.45 1.85 -1.01 -1.92 116.66 113.56 3haz n ARG 448 Ca 0.15 0.28 0.04 0.00 -1.00 0.00 0.00 57.85 57.32 3haz n ARG 448 Cb 0.47 -1.50 0.03 0.00 -1.05 0.00 0.00 32.46 30.41 3haz n ARG 448 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 3haz n ASP 449 N -1.46 1.57 0.04 2.89 8.00 -0.50 -4.70 116.55 122.38 3haz n ASP 449 Ca 0.03 -1.29 -0.13 0.00 0.71 0.00 0.00 54.79 54.12 3haz n ASP 449 Cb 0.13 0.11 -0.09 0.00 -0.02 0.00 0.00 41.12 41.24 3haz n ASP 449 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 3haz h LEU 450 N 1.51 -0.08 -0.36 0.64 5.85 -1.32 -3.23 115.31 118.32 3haz h LEU 450 Ca 0.00 -0.33 0.07 0.00 0.84 0.00 0.00 57.88 58.45 3haz h LEU 450 Cb 0.34 0.02 -0.09 0.00 0.37 0.00 0.00 40.66 41.30 3haz h LEU 450 CO 0.00 0.30 -0.40 -0.07 -0.34 0.00 0.00 178.44 177.93 3haz h LEU 451 N -0.48 -1.32 -1.19 2.25 3.38 -1.84 0.20 115.31 116.30 3haz h LEU 451 Ca -0.01 0.20 0.06 0.00 0.09 0.00 0.00 57.88 58.23 3haz h LEU 451 Cb 0.41 0.58 -0.06 0.00 0.09 0.00 0.00 40.66 41.69 3haz h LEU 451 CO 0.02 -0.37 0.57 0.00 0.09 0.00 0.00 178.44 178.75 3haz h ALA 452 N 0.45 1.55 -0.15 1.53 0.00 -1.90 -2.34 119.26 118.40 3haz h ALA 452 Ca 0.14 -0.02 -0.19 0.00 0.00 0.00 0.00 54.91 54.84 3haz h ALA 452 Cb 0.58 -0.26 0.01 0.00 0.00 0.00 0.00 17.79 18.12 3haz h ALA 452 CO -0.54 0.32 -0.63 -0.92 0.00 0.00 0.00 179.25 177.49 3haz h TYR 453 N 0.98 0.92 -0.77 0.00 3.20 -1.29 -3.27 116.97 116.73 3haz h TYR 453 Ca 0.37 -0.40 0.02 0.00 3.14 0.00 0.00 58.73 61.87 3haz h TYR 453 Cb 0.20 -0.15 -0.04 0.00 1.54 0.00 0.00 36.73 38.28 3haz h TYR 453 CO -0.00 1.20 0.50 -0.07 -1.64 0.00 0.00 178.16 178.15 3haz h LEU 454 N 0.37 0.83 0.31 2.82 3.38 -0.20 -2.36 115.31 120.47 3haz h LEU 454 Ca -0.04 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 3haz h LEU 454 Cb 1.27 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.80 3haz h LEU 454 CO 0.13 0.58 -0.46 0.58 0.09 0.00 0.00 178.44 179.37 3haz h VAL 455 N 0.98 0.00 -0.61 1.22 2.07 -1.49 0.10 116.25 118.52 3haz h VAL 455 Ca 0.30 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.94 3haz h VAL 455 Cb -0.02 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 29.63 3haz h VAL 455 CO -0.10 0.00 -0.23 0.03 0.02 0.00 0.00 177.57 177.29 3haz h ARG 456 N -0.81 -0.07 -0.54 1.57 3.08 -1.59 -2.17 114.38 113.85 3haz h ARG 456 Ca -0.04 0.01 0.06 0.00 0.07 0.00 0.00 59.98 60.08 3haz h ARG 456 Cb 0.74 0.02 -0.05 0.00 0.08 0.00 0.00 29.97 30.75 3haz h ARG 456 CO -0.13 -0.05 0.25 -0.09 -1.07 0.00 0.00 179.97 178.88 3haz h ARG 457 N -0.08 0.46 0.00 0.04 9.65 -0.83 -2.48 114.38 121.14 3haz h ARG 457 Ca 0.28 -0.03 -0.08 0.00 -1.10 0.00 0.00 59.98 59.05 3haz h ARG 457 Cb 0.51 -0.10 -0.01 0.00 -1.39 0.00 0.00 29.97 28.98 3haz h ARG 457 CO -0.67 0.31 -0.38 -0.07 2.80 0.00 0.00 179.97 181.96 3haz h LEU 458 N 0.48 0.00 -1.14 3.80 3.38 -0.25 -2.74 115.31 118.84 3haz h LEU 458 Ca 0.25 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.16 3haz h LEU 458 Cb 0.21 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 3haz h LEU 458 CO -0.20 0.38 -0.07 -0.07 0.09 0.00 0.00 178.44 178.56 3haz h LEU 459 N 0.00 0.49 0.06 1.67 3.38 -0.93 -2.09 115.31 117.89 3haz h LEU 459 Ca -0.00 -0.11 -0.30 0.00 0.09 0.00 0.00 57.88 57.55 3haz h LEU 459 Cb 0.85 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.44 3haz h LEU 459 CO 0.05 0.61 -1.65 -0.08 0.09 0.00 0.00 178.44 177.46 3haz h GLU 460 N 0.48 0.13 0.00 1.13 4.22 -1.49 -2.85 114.58 116.21 3haz h GLU 460 Ca 0.10 -0.23 -0.03 0.00 0.08 0.00 0.00 59.36 59.28 3haz h GLU 460 Cb 0.42 0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.75 3haz h GLU 460 CO 0.02 0.88 -0.15 -0.91 -2.18 0.00 0.00 179.01 176.67 3haz h ASN 461 N 0.04 0.00 -0.01 1.04 2.35 -1.50 -3.18 115.58 114.31 3haz h ASN 461 Ca -0.28 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.47 3haz h ASN 461 Cb 2.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 40.37 3haz h ASN 461 CO 0.11 0.15 -0.36 0.61 -1.65 0.00 0.00 177.43 176.29 3haz n GLY 462 N 0.19 0.25 3.75 2.83 0.00 -0.79 -4.62 105.19 106.80 3haz n GLY 462 Ca 0.01 -0.65 -0.41 0.00 0.00 0.00 0.00 46.02 44.97 3haz n GLY 462 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3haz s ALA 463 N -2.37 3.41 -0.34 4.61 0.00 -1.08 -4.93 121.76 121.07 3haz s ALA 463 Ca 0.21 0.90 0.27 0.00 0.00 0.00 0.00 51.96 53.34 3haz s ALA 463 Cb 0.19 -3.36 1.02 0.00 0.00 0.00 0.00 23.12 20.97 3haz s ALA 463 CO 0.51 -0.24 1.80 -0.91 0.00 0.00 0.00 175.76 176.91 3haz h ASN 464 N 4.49 0.00 0.85 0.00 -0.26 -1.92 -2.53 115.58 116.21 3haz h ASN 464 Ca -0.46 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.28 3haz h ASN 464 Cb 1.21 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.47 3haz h ASN 464 CO 0.70 0.00 -0.55 -1.54 -1.06 0.00 0.00 177.43 174.98 3haz n SER 465 N -2.57 0.65 -4.69 5.81 3.41 -1.26 -4.78 113.62 110.20 3haz n SER 465 Ca 0.02 0.10 -0.45 0.00 -0.26 0.00 0.00 58.87 58.29 3haz n SER 465 Cb 0.31 0.10 -0.04 0.00 -0.26 0.00 0.00 64.21 64.32 3haz n SER 465 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 3haz n SER 466 N -2.00 3.43 -0.15 4.04 2.88 -0.95 -4.91 113.62 115.95 3haz n SER 466 Ca 0.04 1.08 -0.09 0.00 -1.33 0.00 0.00 58.87 58.57 3haz n SER 466 Cb 0.42 -1.48 0.00 0.00 -0.75 0.00 0.00 64.21 62.40 3haz n SER 466 CO 0.00 0.00 0.00 0.15 -1.23 0.00 0.00 175.04 173.96 3haz h PHE 467 N 6.22 0.68 -0.19 0.66 3.57 -1.90 -2.42 116.94 123.56 3haz h PHE 467 Ca -0.44 -0.05 -0.08 0.00 3.53 0.00 0.00 57.97 60.93 3haz h PHE 467 Cb 1.23 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 39.76 3haz h PHE 467 CO 0.63 0.59 -0.22 -0.39 -2.23 0.00 0.00 178.31 176.68 3haz h VAL 468 N 0.58 1.24 -0.02 1.41 -1.51 -1.91 -0.22 116.25 115.83 3haz h VAL 468 Ca 0.15 -1.11 -0.00 0.00 -1.23 0.00 0.00 66.70 64.51 3haz h VAL 468 Cb 0.19 1.34 -0.00 0.00 -2.13 0.00 0.00 31.29 30.70 3haz h VAL 468 CO -0.01 0.35 -0.00 0.00 -1.23 0.00 0.00 177.57 176.67 3haz h ALA 469 N 1.47 0.02 -0.38 5.19 0.00 -1.80 -2.69 119.26 121.07 3haz h ALA 469 Ca 0.05 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 3haz h ALA 469 Cb 0.56 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 3haz h ALA 469 CO 0.04 -0.31 0.01 1.96 0.00 0.00 0.00 179.25 180.95 3haz h GLN 470 N -0.28 0.66 -0.71 0.00 4.20 -1.17 -2.03 115.11 115.79 3haz h GLN 470 Ca 0.00 -0.21 0.10 0.00 0.06 0.00 0.00 58.65 58.61 3haz h GLN 470 Cb 0.32 -0.06 -0.05 0.00 0.30 0.00 0.00 27.48 27.99 3haz h GLN 470 CO 0.00 0.76 0.47 0.00 -0.67 0.00 0.00 178.83 179.38 3haz h ALA 471 N 0.88 1.87 0.00 3.87 0.00 -1.12 0.22 119.26 124.98 3haz h ALA 471 Ca 0.11 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3haz h ALA 471 Cb 0.45 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.10 3haz h ALA 471 CO 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 179.25 179.25 3haz n ALA 472 N -2.48 2.04 -2.75 0.00 0.00 -0.88 -4.54 120.51 111.91 3haz n ALA 472 Ca 0.12 0.02 -0.44 0.00 0.00 0.00 0.00 53.44 53.14 3haz n ALA 472 Cb 0.34 -1.44 -0.06 0.00 0.00 0.00 0.00 19.45 18.29 3haz n ALA 472 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3haz s ASP 473 N -4.37 6.23 0.00 0.00 2.15 0.77 -4.91 116.67 116.54 3haz s ASP 473 Ca 0.08 -0.85 0.16 0.00 0.43 0.00 0.00 52.55 52.37 3haz s ASP 473 Cb 0.11 -2.30 0.80 0.00 -0.30 0.00 0.00 42.92 41.24 3haz s ASP 473 CO 0.51 -0.91 1.47 -1.22 -0.17 0.00 0.00 175.17 174.86 3haz n TYR 474 N 6.26 0.00 0.18 -5.34 4.01 -1.26 -0.83 117.16 120.18 3haz n TYR 474 Ca -0.06 0.00 0.03 0.00 -0.16 0.00 0.00 57.90 57.72 3haz n TYR 474 Cb 0.46 -0.31 0.32 0.00 -0.31 0.00 0.00 39.34 39.50 3haz n TYR 474 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3haz h ARG 475 N 0.00 0.00 -5.92 -0.72 3.08 -1.91 -3.42 114.38 105.50 3haz h ARG 475 Ca 0.00 0.00 -0.59 0.00 0.07 0.00 0.00 59.98 59.46 3haz h ARG 475 Cb 0.17 0.00 -0.09 0.00 0.08 0.00 0.00 29.97 30.13 3haz h ARG 475 CO 0.00 0.43 0.55 0.08 -1.07 0.00 0.00 179.97 179.96 3haz s VAL 476 N -3.79 4.73 0.49 2.04 1.01 -0.01 -5.02 120.40 119.85 3haz s VAL 476 Ca -0.01 1.50 -0.21 0.00 0.00 0.00 0.00 61.98 63.26 3haz s VAL 476 Cb 0.12 -4.21 -0.07 0.00 0.00 0.00 0.00 36.38 32.22 3haz s VAL 476 CO 0.71 -0.24 1.12 -2.84 0.00 0.00 0.00 175.10 173.85 3haz s PRO 477 N 3.09 3.65 0.21 2.72 0.02 -1.26 -4.93 135.00 138.50 3haz s PRO 477 Ca 0.37 1.63 -0.10 0.00 0.02 0.00 0.00 61.00 62.92 3haz s PRO 477 Cb -0.14 -2.22 0.31 0.00 0.02 0.00 0.00 34.50 32.47 3haz s PRO 477 CO 0.11 -0.61 1.68 0.28 -0.33 0.00 0.00 177.00 178.13 3haz h VAL 478 N 1.60 0.56 -0.95 3.83 2.07 -1.95 -0.89 116.25 120.52 3haz h VAL 478 Ca -0.50 -0.06 0.17 0.00 0.82 0.00 0.00 66.70 67.13 3haz h VAL 478 Cb 1.25 0.36 -0.08 0.00 -1.52 0.00 0.00 31.29 31.29 3haz h VAL 478 CO 0.59 0.03 0.60 -0.65 0.02 0.00 0.00 177.57 178.17 3haz h PRO 479 N 0.19 0.67 -0.63 1.57 0.11 -1.98 -1.33 132.00 130.60 3haz h PRO 479 Ca 0.32 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.38 3haz h PRO 479 Cb 0.51 -0.15 -0.03 0.00 0.11 0.00 0.00 31.00 31.44 3haz h PRO 479 CO -0.47 0.44 0.34 0.00 -0.21 0.00 0.00 178.00 178.10 3haz h ALA 480 N 1.61 1.42 0.00 -0.75 0.00 -1.53 -0.35 119.26 119.65 3haz h ALA 480 Ca 0.50 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.31 3haz h ALA 480 Cb 0.86 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.39 3haz h ALA 480 CO -0.26 0.48 0.00 -0.07 0.00 0.00 0.00 179.25 179.40 3haz h LEU 481 N 0.87 0.00 -1.74 0.00 3.38 -1.16 -3.12 115.31 113.54 3haz h LEU 481 Ca 0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.19 3haz h LEU 481 Cb 0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.78 3haz h LEU 481 CO -0.04 0.00 -0.05 0.18 0.09 0.00 0.00 178.44 178.63 3haz n LEU 482 N -2.38 2.76 -4.69 1.67 4.77 -0.15 -4.77 117.00 114.20 3haz n LEU 482 Ca 0.02 -0.93 -0.45 0.00 -0.03 0.00 0.00 56.01 54.63 3haz n LEU 482 Cb 0.26 -0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.31 3haz n LEU 482 CO 0.22 0.46 1.32 1.67 -1.33 0.00 0.00 177.39 179.73 3haz n GLN 483 N 1.10 2.44 -2.39 3.23 7.27 -1.14 -4.94 117.38 122.94 3haz n GLN 483 Ca 0.14 0.88 -0.40 0.00 0.07 0.00 0.00 57.00 57.69 3haz n GLN 483 Cb 0.56 -2.70 -0.04 0.00 2.41 0.00 0.00 30.24 30.47 3haz n GLN 483 CO 0.00 0.00 0.00 1.03 0.07 0.00 0.00 177.06 178.16 3haz s ARG 484 N 1.64 4.57 0.25 3.69 3.00 -1.26 -4.94 118.95 125.90 3haz s ARG 484 Ca 0.80 1.90 -0.04 0.00 0.00 0.00 0.00 55.73 58.38 3haz s ARG 484 Cb -0.60 -3.17 0.39 0.00 0.00 0.00 0.00 34.95 31.58 3haz s ARG 484 CO 0.38 0.12 1.83 -1.35 0.00 0.00 0.00 175.30 176.27 3haz h PRO 485 N 3.77 0.86 -0.96 3.54 0.11 -1.92 -1.78 132.00 135.61 3haz h PRO 485 Ca -0.47 -0.05 0.12 0.00 0.11 0.00 0.00 66.00 65.71 3haz h PRO 485 Cb 1.21 -0.19 -0.08 0.00 0.11 0.00 0.00 31.00 32.05 3haz h PRO 485 CO 0.67 0.57 0.61 0.00 -0.21 0.00 0.00 178.00 179.64 3haz h ALA 486 N 1.45 1.59 0.00 -0.75 0.00 -1.92 -0.08 119.26 119.55 3haz h ALA 486 Ca 0.40 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.33 3haz h ALA 486 Cb 0.30 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3haz h ALA 486 CO -0.22 0.18 0.00 -0.44 0.00 0.00 0.00 179.25 178.76 3haz h ASP 487 N 0.93 0.00 0.09 0.00 3.32 -1.72 0.58 116.42 119.62 3haz h ASP 487 Ca 0.47 0.00 -0.26 0.00 0.02 0.00 0.00 57.03 57.26 3haz h ASP 487 Cb 0.50 0.00 0.03 0.00 0.22 0.00 0.00 39.33 40.08 3haz h ASP 487 CO -0.23 0.00 -1.08 0.00 -1.72 0.00 0.00 179.24 176.21 3haz h ALA 488 N 2.17 0.01 0.01 3.45 0.00 -0.80 -3.37 119.26 120.74 3haz h ALA 488 Ca 0.00 -0.72 -0.01 0.00 0.00 0.00 0.00 54.91 54.18 3haz h ALA 488 Cb 0.74 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.63 3haz h ALA 488 CO 0.00 0.60 -0.05 0.82 0.00 0.00 0.00 179.25 180.63 3haz h ILE 489 N 0.17 1.76 0.00 0.00 1.08 -1.29 -3.47 117.51 115.76 3haz h ILE 489 Ca -0.16 -2.29 0.00 0.00 -0.39 0.00 0.00 64.86 62.02 3haz h ILE 489 Cb 1.77 3.32 0.00 0.00 -3.07 0.00 0.00 36.82 38.83 3haz h ILE 489 CO 0.21 0.60 0.00 1.33 -0.69 0.00 0.00 178.15 179.60 3haz n VAL 490 N -4.59 0.00 -4.04 1.67 0.24 0.19 -4.73 118.33 107.06 3haz n VAL 490 Ca -0.10 0.00 -0.16 0.00 -2.04 0.00 0.00 64.34 62.04 3haz n VAL 490 Cb 0.49 0.00 -0.15 0.00 -1.47 0.00 0.00 33.84 32.71 3haz n VAL 490 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 3haz s ARG 491 N 0.00 0.36 0.26 7.34 6.06 -1.26 -5.04 118.95 126.67 3haz s ARG 491 Ca 0.00 -0.06 -0.04 0.00 -2.50 0.00 0.00 55.73 53.13 3haz s ARG 491 Cb 0.00 -0.42 0.53 0.00 0.06 0.00 0.00 34.95 35.11 3haz s ARG 491 CO 0.00 -0.01 1.64 -1.35 -2.50 0.00 0.00 175.30 173.08 3haz h PRO 492 N 6.60 0.13 -0.01 5.12 0.11 -1.86 0.11 132.00 142.19 3haz h PRO 492 Ca -0.34 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.77 3haz h PRO 492 Cb 1.17 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.25 3haz h PRO 492 CO 0.49 0.09 0.07 0.37 -0.21 0.00 0.00 178.00 178.82 3haz h GLN 493 N 0.14 0.00 -0.37 1.05 -0.00 -1.95 -1.23 115.11 112.75 3haz h GLN 493 Ca 0.46 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 59.11 3haz h GLN 493 Cb 0.85 0.00 0.00 0.00 0.00 0.00 0.00 27.48 28.33 3haz h GLN 493 CO -0.67 0.00 0.00 0.00 0.00 0.00 0.00 178.83 178.16 3haz n ALA 494 N -2.08 2.45 -0.09 3.38 0.00 0.37 -4.54 120.51 120.00 3haz n ALA 494 Ca -0.03 -0.79 -0.10 0.00 0.00 0.00 0.00 53.44 52.52 3haz n ALA 494 Cb 0.15 -0.98 -0.03 0.00 0.00 0.00 0.00 19.45 18.58 3haz n ALA 494 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3haz h ALA 495 N 4.10 0.36 -2.46 0.00 0.00 -1.28 -3.43 119.26 116.54 3haz h ALA 495 Ca 0.00 -0.13 -0.49 0.00 0.00 0.00 0.00 54.91 54.30 3haz h ALA 495 Cb 0.68 -0.11 0.05 0.00 0.00 0.00 0.00 17.79 18.41 3haz h ALA 495 CO 0.00 -0.03 0.41 0.00 0.00 0.00 0.00 179.25 179.62 3haz s ALA 496 N -5.52 2.78 0.11 0.00 0.00 -1.26 -4.08 121.76 113.79 3haz s ALA 496 Ca -0.13 0.72 -0.31 0.00 0.00 0.00 0.00 51.96 52.23 3haz s ALA 496 Cb 0.08 -3.31 -0.08 0.00 0.00 0.00 0.00 23.12 19.82 3haz s ALA 496 CO 0.73 -0.55 1.35 -1.58 0.00 0.00 0.00 175.76 175.71 3haz s HIS 497 N -1.88 3.28 -0.46 0.00 2.46 -1.26 -4.87 115.29 112.56 3haz s HIS 497 Ca 0.70 1.04 0.26 0.00 0.47 0.00 0.00 55.06 57.53 3haz s HIS 497 Cb -0.20 -3.63 0.93 0.00 -0.13 0.00 0.00 32.58 29.55 3haz s HIS 497 CO 0.24 -2.14 1.77 -1.00 -2.47 0.00 0.00 174.74 171.14 3haz h PRO 498 N 6.67 0.00 -0.31 2.88 0.13 -1.94 -3.06 132.00 136.37 3haz h PRO 498 Ca -0.42 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 3haz h PRO 498 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 3haz h PRO 498 CO 0.85 0.00 0.00 0.54 -0.23 0.00 0.00 178.00 179.16 3haz n ARG 499 N -2.46 3.01 -3.98 0.86 1.74 -1.26 -4.83 116.66 109.72 3haz n ARG 499 Ca 0.03 -2.62 -0.31 0.00 -0.77 0.00 0.00 57.85 54.18 3haz n ARG 499 Cb 0.33 -1.69 -0.15 0.00 -1.02 0.00 0.00 32.46 29.93 3haz n ARG 499 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3haz s ILE 500 N -2.26 2.00 0.59 0.55 1.01 -1.16 -5.11 121.20 116.82 3haz s ILE 500 Ca 0.37 -1.97 -0.17 0.00 0.00 0.00 0.00 60.65 58.89 3haz s ILE 500 Cb 0.28 -2.38 -0.04 0.00 0.01 0.00 0.00 42.46 40.33 3haz s ILE 500 CO 0.12 -0.45 1.09 -2.16 0.00 0.00 0.00 174.94 173.54 3haz s PRO 501 N 1.08 3.22 0.75 2.79 0.04 -1.26 -4.84 135.00 136.78 3haz s PRO 501 Ca 0.05 1.38 -0.15 0.00 0.04 0.00 0.00 61.00 62.32 3haz s PRO 501 Cb -0.19 -2.01 0.05 0.00 0.04 0.00 0.00 34.50 32.39 3haz s PRO 501 CO -0.09 -0.92 1.21 -0.51 0.04 0.00 0.00 177.00 176.73 3haz s LEU 502 N -4.34 3.28 0.30 -3.56 1.43 -1.26 -4.85 118.68 109.69 3haz s LEU 502 Ca 0.67 2.37 0.06 0.00 -1.03 0.00 0.00 54.13 56.20 3haz s LEU 502 Cb -0.19 -4.59 0.76 0.00 0.03 0.00 0.00 46.19 42.19 3haz s LEU 502 CO 0.34 -2.37 1.77 -0.65 0.23 0.00 0.00 176.35 175.67 3haz h PRO 503 N -0.43 0.70 0.00 1.29 0.11 -1.87 -0.25 132.00 131.56 3haz h PRO 503 Ca -0.47 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.58 3haz h PRO 503 Cb 1.30 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 32.25 3haz h PRO 503 CO 0.49 0.47 -0.06 0.00 -0.21 0.00 0.00 178.00 178.68 3haz n ASP 505 N -3.30 4.00 -0.33 0.00 8.00 -0.12 -2.66 116.55 122.15 3haz n ASP 505 Ca -0.01 -2.02 0.16 0.00 0.71 0.00 0.00 54.79 53.64 3haz n ASP 505 Cb 0.24 -0.50 0.40 0.00 -0.02 0.00 0.00 41.12 41.24 3haz n ASP 505 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 3haz h LEU 506 N 4.34 0.64 -2.46 0.64 5.85 -1.18 -1.15 115.31 122.00 3haz h LEU 506 Ca 0.00 0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.81 3haz h LEU 506 Cb 1.01 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.02 3haz h LEU 506 CO 0.01 0.20 0.00 0.49 -0.34 0.00 0.00 178.44 178.80 3haz n PHE 507 N -4.70 0.48 -1.83 1.25 0.99 -1.26 -5.01 117.46 107.37 3haz n PHE 507 Ca 0.23 -0.34 -0.39 0.00 -0.00 0.00 0.00 57.45 56.95 3haz n PHE 507 Cb 0.67 -0.01 0.03 0.00 -1.00 0.00 0.00 39.48 39.17 3haz n PHE 507 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 3haz s ALA 508 N -1.13 3.02 -2.30 4.37 0.00 -0.44 -1.13 121.76 124.16 3haz s ALA 508 Ca 0.30 1.36 0.20 0.00 0.00 0.00 0.00 51.96 53.82 3haz s ALA 508 Cb 0.17 -3.56 0.58 0.00 0.00 0.00 0.00 23.12 20.31 3haz s ALA 508 CO 0.23 -1.23 1.46 -0.35 0.00 0.00 0.00 175.76 175.87 3haz n PRO 509 N -0.60 2.04 -0.02 0.00 -0.04 -1.26 -4.88 135.00 130.24 3haz n PRO 509 Ca 0.08 -1.58 -0.09 0.00 -0.04 0.00 0.00 63.50 61.86 3haz n PRO 509 Cb 0.44 -1.43 -0.03 0.00 -0.04 0.00 0.00 33.50 32.44 3haz n PRO 509 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 3haz h GLU 510 N 3.04 -0.28 -2.74 0.54 4.39 -1.54 -3.46 114.58 114.53 3haz h GLU 510 Ca 0.00 0.02 0.08 0.00 0.34 0.00 0.00 59.36 59.80 3haz h GLU 510 Cb 0.67 0.06 -0.09 0.00 -0.10 0.00 0.00 28.75 29.30 3haz h GLU 510 CO 0.00 -0.19 0.32 -0.98 -1.16 0.00 0.00 179.01 177.01 3haz s ARG 511 N -6.07 1.40 0.53 2.33 1.70 -1.04 -4.89 118.95 112.91 3haz s ARG 511 Ca -0.15 -0.70 -0.18 0.00 -0.47 0.00 0.00 55.73 54.23 3haz s ARG 511 Cb 0.11 0.52 -0.07 0.00 -0.57 0.00 0.00 34.95 34.95 3haz s ARG 511 CO 0.67 -0.63 1.03 -0.98 -1.08 0.00 0.00 175.30 174.31 3haz s ARG 512 N -3.62 3.67 0.03 3.89 1.70 -1.26 -3.35 118.95 120.01 3haz s ARG 512 Ca 0.08 1.24 -0.01 0.00 -0.47 0.00 0.00 55.73 56.57 3haz s ARG 512 Cb -0.03 -2.08 -0.04 0.00 -0.57 0.00 0.00 34.95 32.23 3haz s ARG 512 CO -0.01 -0.52 0.18 1.21 -1.08 0.00 0.00 175.30 175.08 3haz s ASN 513 N -2.43 6.27 0.78 -2.89 2.47 -1.09 -4.96 114.94 113.10 3haz s ASN 513 Ca 0.64 0.28 -0.11 0.00 0.42 0.00 0.00 52.86 54.09 3haz s ASN 513 Cb -0.15 -1.93 0.06 0.00 -1.45 0.00 0.00 41.25 37.78 3haz s ASN 513 CO 0.27 0.21 1.08 -0.94 -3.72 0.00 0.00 177.10 174.01 3haz s SER 514 N -2.22 4.56 -0.13 -4.21 1.04 -1.26 -4.89 113.70 106.59 3haz s SER 514 Ca 0.31 1.51 -0.06 0.00 0.48 0.00 0.00 55.95 58.19 3haz s SER 514 Cb -0.13 -2.27 -0.04 0.00 0.10 0.00 0.00 66.02 63.68 3haz s SER 514 CO 0.23 -1.96 0.11 -0.13 0.98 0.00 0.00 173.24 172.47 3haz s ARG 515 N -5.04 3.47 0.00 4.02 0.52 -1.26 -4.75 118.95 115.91 3haz s ARG 515 Ca 0.61 -0.21 0.00 0.00 -0.52 0.00 0.00 55.73 55.61 3haz s ARG 515 Cb -0.15 -3.14 0.00 0.00 0.52 0.00 0.00 34.95 32.18 3haz s ARG 515 CO 0.55 0.68 0.00 0.41 0.02 0.00 0.00 175.30 176.96 3haz n GLY 516 N 2.29 4.08 2.87 -3.53 0.00 -0.40 -4.87 105.19 105.62 3haz n GLY 516 Ca -0.19 -2.12 -0.12 0.00 0.00 0.00 0.00 46.02 43.59 3haz n GLY 516 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3haz s VAL 517 N 0.48 -0.01 -0.45 1.61 1.01 -1.25 -4.70 120.40 117.10 3haz s VAL 517 Ca 0.00 0.02 -0.23 0.00 0.00 0.00 0.00 61.98 61.77 3haz s VAL 517 Cb 0.00 -0.03 0.03 0.00 0.00 0.00 0.00 36.38 36.38 3haz s VAL 517 CO 0.00 0.01 0.81 -0.70 0.00 0.00 0.00 175.10 175.22 3haz s GLU 518 N 0.10 3.44 0.56 2.72 2.56 -1.26 -4.90 118.70 121.92 3haz s GLU 518 Ca -0.01 -0.05 0.34 0.00 0.00 0.00 0.00 54.97 55.26 3haz s GLU 518 Cb -0.01 -3.93 1.60 0.00 2.00 0.00 0.00 34.13 33.78 3haz s GLU 518 CO -0.00 -1.13 2.08 0.74 -0.56 0.00 0.00 175.26 176.39 3haz h PHE 519 N 8.98 0.00 -0.00 5.30 -1.00 -1.96 -2.25 116.94 126.01 3haz h PHE 519 Ca -0.25 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.53 3haz h PHE 519 Cb 1.08 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.64 3haz h PHE 519 CO 0.81 0.04 0.00 0.41 -1.61 0.00 0.00 178.31 177.96 3haz n GLY 520 N -0.34 -0.98 3.21 -1.45 0.00 -1.26 -4.39 105.19 99.97 3haz n GLY 520 Ca -0.01 -0.19 -0.39 0.00 0.00 0.00 0.00 46.02 45.43 3haz n GLY 520 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3haz s ALA 521 N -2.00 3.23 0.39 4.61 0.00 -0.85 -4.60 121.76 122.54 3haz s ALA 521 Ca 0.45 -2.30 0.11 0.00 0.00 0.00 0.00 51.96 50.22 3haz s ALA 521 Cb 0.21 -2.55 0.88 0.00 0.00 0.00 0.00 23.12 21.66 3haz s ALA 521 CO 0.35 -1.71 1.92 0.07 0.00 0.00 0.00 175.76 176.39 3haz h ARG 522 N 8.27 0.58 -0.24 0.00 0.11 -1.85 0.12 114.38 121.37 3haz h ARG 522 Ca -0.20 -0.04 -0.09 0.00 0.10 0.00 0.00 59.98 59.76 3haz h ARG 522 Cb 1.07 -0.13 -0.01 0.00 1.11 0.00 0.00 29.97 32.00 3haz h ARG 522 CO 0.74 0.39 -0.23 0.00 0.10 0.00 0.00 179.97 180.96 3haz h THR 523 N 0.60 1.26 -0.04 0.08 1.03 -1.94 0.29 112.91 114.20 3haz h THR 523 Ca 0.37 -1.22 -0.03 0.00 -0.01 0.00 0.00 66.41 65.52 3haz h THR 523 Cb 0.62 1.33 0.00 0.00 -1.07 0.00 0.00 68.15 69.03 3haz h THR 523 CO -0.14 0.39 -0.11 0.00 -0.01 0.00 0.00 175.52 175.64 3haz h ALA 524 N 1.35 0.07 -0.47 0.00 0.00 -1.10 -2.57 119.26 116.53 3haz h ALA 524 Ca 0.06 -0.35 -0.04 0.00 0.00 0.00 0.00 54.91 54.58 3haz h ALA 524 Cb 0.63 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 3haz h ALA 524 CO 0.05 -0.04 0.14 1.25 0.00 0.00 0.00 179.25 180.64 3haz h LEU 525 N -0.41 0.69 -0.21 0.00 5.85 -1.13 -1.34 115.31 118.77 3haz h LEU 525 Ca -0.00 -0.21 0.00 0.00 0.84 0.00 0.00 57.88 58.51 3haz h LEU 525 Cb 0.73 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.57 3haz h LEU 525 CO 0.02 0.73 0.14 0.44 -0.34 0.00 0.00 178.44 179.43 3haz h ASP 526 N 0.63 0.24 -0.50 1.25 3.32 -0.51 -0.33 116.42 120.52 3haz h ASP 526 Ca 0.15 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.19 3haz h ASP 526 Cb 0.29 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 39.75 3haz h ASP 526 CO -0.00 0.17 0.29 -0.61 -1.72 0.00 0.00 179.24 177.38 3haz h GLN 527 N 0.28 0.69 -0.51 3.56 5.75 -1.36 -0.77 115.11 122.75 3haz h GLN 527 Ca 0.08 -0.07 0.00 0.00 -0.15 0.00 0.00 58.65 58.51 3haz h GLN 527 Cb -0.03 -0.14 -0.03 0.00 1.07 0.00 0.00 27.48 28.35 3haz h GLN 527 CO -0.02 0.51 0.34 1.25 -2.65 0.00 0.00 178.83 178.26 3haz h LEU 528 N 0.67 0.59 -0.49 -2.39 5.85 -0.99 0.54 115.31 119.09 3haz h LEU 528 Ca 0.18 -0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.85 3haz h LEU 528 Cb 0.01 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 40.87 3haz h LEU 528 CO -0.03 0.44 0.20 -0.07 -0.34 0.00 0.00 178.44 178.63 3haz h LEU 529 N 0.70 0.68 -0.09 2.25 3.38 -0.77 -1.43 115.31 120.03 3haz h LEU 529 Ca 0.19 -0.17 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 3haz h LEU 529 Cb -0.07 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.50 3haz h LEU 529 CO -0.04 0.66 0.06 0.74 0.09 0.00 0.00 178.44 179.94 3haz h THR 530 N 0.65 1.05 -0.64 0.22 2.02 -0.90 -0.38 112.91 114.93 3haz h THR 530 Ca 0.16 -0.12 0.03 0.00 0.77 0.00 0.00 66.41 67.26 3haz h THR 530 Cb 0.19 0.96 -0.04 0.00 -1.74 0.00 0.00 68.15 67.52 3haz h THR 530 CO -0.01 0.04 0.39 0.44 0.37 0.00 0.00 175.52 176.75 3haz h ASP 531 N 0.10 0.62 -0.47 4.18 3.32 -0.75 -0.51 116.42 122.91 3haz h ASP 531 Ca 0.03 0.01 -0.14 0.00 0.02 0.00 0.00 57.03 56.95 3haz h ASP 531 Cb 0.02 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.43 3haz h ASP 531 CO -0.01 0.43 -0.23 0.58 -1.72 0.00 0.00 179.24 178.29 3haz h VAL 532 N 0.75 1.27 -0.78 -1.35 2.07 -1.14 -2.95 116.25 114.12 3haz h VAL 532 Ca 0.26 -1.40 -0.02 0.00 0.82 0.00 0.00 66.70 66.36 3haz h VAL 532 Cb 0.05 1.14 -0.04 0.00 -1.52 0.00 0.00 31.29 30.93 3haz h VAL 532 CO -0.12 0.48 0.42 0.11 0.02 0.00 0.00 177.57 178.48 3haz h LYS 533 N 0.85 1.08 0.00 1.57 6.56 -0.58 -1.73 116.57 124.32 3haz h LYS 533 Ca 0.11 -0.13 -0.01 0.00 -1.06 0.00 0.00 60.65 59.56 3haz h LYS 533 Cb 0.82 -0.21 -0.00 0.00 -0.57 0.00 0.00 32.23 32.26 3haz h LYS 533 CO 0.07 0.80 -0.03 0.00 -2.06 0.00 0.00 179.45 178.22 3haz h ALA 534 N 1.37 1.12 -2.05 3.86 0.00 -0.93 -3.40 119.26 119.23 3haz h ALA 534 Ca 0.27 -0.03 -0.61 0.00 0.00 0.00 0.00 54.91 54.54 3haz h ALA 534 Cb 0.04 -0.01 -0.12 0.00 0.00 0.00 0.00 17.79 17.71 3haz h ALA 534 CO -0.04 0.04 0.44 -1.21 0.00 0.00 0.00 179.25 178.48 3haz s GLU 535 N -4.08 3.57 -0.05 0.00 0.41 -0.65 -5.11 118.70 112.79 3haz s GLU 535 Ca -0.03 0.13 0.00 0.00 -0.41 0.00 0.00 54.97 54.67 3haz s GLU 535 Cb 0.12 -3.89 0.03 0.00 -1.78 0.00 0.00 34.13 28.61 3haz s GLU 535 CO 0.50 -1.06 -0.01 0.99 -0.49 0.00 0.00 175.26 175.19 3haz s THR 536 N 3.38 0.36 0.00 3.63 2.01 -1.26 -4.94 115.64 118.82 3haz s THR 536 Ca 0.33 0.03 0.00 0.00 0.31 0.00 0.00 61.69 62.36 3haz s THR 536 Cb -0.12 -0.45 0.00 0.00 0.01 0.00 0.00 72.50 71.94 3haz s THR 536 CO 0.22 0.21 0.00 -0.38 -0.69 0.00 0.00 174.62 173.98 3haz n ILE 542 N 4.44 0.00 -2.73 1.82 5.41 -1.26 -5.18 119.36 121.86 3haz n ILE 542 Ca -0.19 0.00 -0.35 0.00 1.00 0.00 0.00 62.75 63.21 3haz n ILE 542 Cb 0.50 0.00 -0.06 0.00 -0.71 0.00 0.00 39.64 39.37 3haz n ILE 542 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3haz s ALA 543 N 0.00 3.09 0.52 -1.39 0.00 -1.26 -5.04 121.76 117.68 3haz s ALA 543 Ca 0.00 0.52 -0.20 0.00 0.00 0.00 0.00 51.96 52.27 3haz s ALA 543 Cb 0.00 -3.19 -0.06 0.00 0.00 0.00 0.00 23.12 19.86 3haz s ALA 543 CO 0.00 0.04 1.14 -0.51 0.00 0.00 0.00 175.76 176.42 3haz s ASP 544 N -1.86 5.85 0.39 0.00 1.01 -1.26 -4.78 116.67 116.01 3haz s ASP 544 Ca 0.58 2.21 -0.24 0.00 0.71 0.00 0.00 52.55 55.81 3haz s ASP 544 Cb -0.15 -2.59 -0.10 0.00 1.01 0.00 0.00 42.92 41.09 3haz s ASP 544 CO 0.20 -1.13 0.99 0.00 0.21 0.00 0.00 175.17 175.44 3haz s ALA 545 N -1.71 3.10 0.58 5.23 0.00 0.43 -4.99 121.76 124.40 3haz s ALA 545 Ca 0.70 0.56 -0.13 0.00 0.00 0.00 0.00 51.96 53.09 3haz s ALA 545 Cb -0.25 -3.21 -0.06 0.00 0.00 0.00 0.00 23.12 19.60 3haz s ALA 545 CO 0.29 0.00 1.01 0.95 0.00 0.00 0.00 175.76 178.01 3haz s THR 546 N -1.79 4.64 0.54 0.00 -4.23 -1.26 -4.90 115.64 108.63 3haz s THR 546 Ca 0.57 1.01 0.24 0.00 -1.18 0.00 0.00 61.69 62.33 3haz s THR 546 Cb -0.17 -3.81 0.36 0.00 1.34 0.00 0.00 72.50 70.22 3haz s THR 546 CO 0.22 -0.96 2.04 -0.65 -0.54 0.00 0.00 174.62 174.74 3haz h PRO 547 N 0.20 0.00 -0.19 3.99 0.11 -1.98 -0.63 132.00 133.50 3haz h PRO 547 Ca -0.45 0.00 -0.20 0.00 0.11 0.00 0.00 66.00 65.45 3haz h PRO 547 Cb 1.19 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.31 3haz h PRO 547 CO 0.62 0.00 -0.68 -0.44 -0.21 0.00 0.00 178.00 177.29 3haz h ASP 548 N 0.00 0.92 0.12 -2.05 3.32 -1.99 -2.62 116.42 114.12 3haz h ASP 548 Ca 0.17 -0.60 -0.08 0.00 0.02 0.00 0.00 57.03 56.54 3haz h ASP 548 Cb 0.70 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.97 3haz h ASP 548 CO -0.00 1.37 -0.27 1.56 -1.72 0.00 0.00 179.24 180.17 3haz h GLN 549 N 0.53 0.25 -0.43 3.56 4.20 -1.53 0.04 115.11 121.73 3haz h GLN 549 Ca -0.03 -0.09 -0.04 0.00 0.06 0.00 0.00 58.65 58.55 3haz h GLN 549 Cb 1.31 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 29.05 3haz h GLN 549 CO 0.14 0.51 0.12 0.00 -0.67 0.00 0.00 178.83 178.94 3haz h ALA 550 N 1.49 0.56 -0.55 3.87 0.00 -1.20 -0.55 119.26 122.89 3haz h ALA 550 Ca 0.03 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.68 3haz h ALA 550 Cb 0.61 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 3haz h ALA 550 CO 0.04 0.23 0.01 0.45 0.00 0.00 0.00 179.25 179.98 3haz h HIS 551 N 0.55 1.01 -0.75 0.00 3.86 -1.07 -2.38 115.15 116.38 3haz h HIS 551 Ca 0.14 -0.15 0.00 0.00 -1.16 0.00 0.00 60.37 59.19 3haz h HIS 551 Cb 0.29 -0.27 -0.04 0.00 1.06 0.00 0.00 27.41 28.46 3haz h HIS 551 CO 0.02 0.90 0.47 0.00 0.86 0.00 0.00 177.93 180.18 3haz h ALA 552 N 1.14 0.95 -0.73 2.45 0.00 -0.80 -1.80 119.26 120.47 3haz h ALA 552 Ca 0.16 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.01 3haz h ALA 552 Cb 0.50 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 3haz h ALA 552 CO 0.02 0.39 0.48 0.00 0.00 0.00 0.00 179.25 180.14 3haz h ALA 553 N 1.26 0.92 -0.52 0.00 0.00 -0.74 0.33 119.26 120.51 3haz h ALA 553 Ca 0.27 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.09 3haz h ALA 553 Cb -0.08 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.40 3haz h ALA 553 CO -0.05 0.33 0.17 0.28 0.00 0.00 0.00 179.25 179.97 3haz h VAL 554 N 0.97 1.23 -0.27 0.00 2.07 -1.16 -0.16 116.25 118.93 3haz h VAL 554 Ca 0.27 -0.77 -0.00 0.00 0.82 0.00 0.00 66.70 67.02 3haz h VAL 554 Cb -0.10 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 30.41 3haz h VAL 554 CO -0.06 0.28 0.16 0.00 0.02 0.00 0.00 177.57 177.97 3haz h ALA 555 N 1.03 0.35 -0.46 1.67 0.00 -0.77 0.40 119.26 121.47 3haz h ALA 555 Ca 0.17 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 3haz h ALA 555 Cb 0.27 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 3haz h ALA 555 CO -0.01 -0.14 0.26 0.00 0.00 0.00 0.00 179.25 179.37 3haz h ALA 556 N 1.05 0.59 -0.75 0.00 0.00 -0.81 -1.11 119.26 118.23 3haz h ALA 556 Ca 0.10 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 3haz h ALA 556 Cb 0.03 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 3haz h ALA 556 CO -0.02 0.11 0.37 0.00 0.00 0.00 0.00 179.25 179.71 3haz h ALA 557 N 1.11 0.97 -0.97 0.00 0.00 -0.75 -1.66 119.26 117.97 3haz h ALA 557 Ca 0.16 -0.15 0.07 0.00 0.00 0.00 0.00 54.91 55.00 3haz h ALA 557 Cb 0.04 -0.30 -0.07 0.00 0.00 0.00 0.00 17.79 17.47 3haz h ALA 557 CO -0.03 0.53 0.63 -0.09 0.00 0.00 0.00 179.25 180.29 3haz h ARG 558 N 1.06 1.07 -0.02 0.00 2.43 0.37 -0.98 114.38 118.31 3haz h ARG 558 Ca 0.26 -0.06 -0.12 0.00 -0.81 0.00 0.00 59.98 59.25 3haz h ARG 558 Cb 0.11 -0.24 -0.02 0.00 -0.42 0.00 0.00 29.97 29.40 3haz h ARG 558 CO -0.03 0.71 -0.54 0.00 -1.51 0.00 0.00 179.97 178.60 3haz h ALA 559 N 1.48 1.07 0.00 2.80 0.00 -0.69 -3.08 119.26 120.85 3haz h ALA 559 Ca 0.42 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3haz h ALA 559 Cb 0.21 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3haz h ALA 559 CO -0.17 0.68 -0.25 0.41 0.00 0.00 0.00 179.25 179.91 3haz n GLY 560 N 0.04 -1.57 0.17 0.00 0.00 -0.48 -4.11 105.19 99.23 3haz n GLY 560 Ca -0.02 -0.12 -0.11 0.00 0.00 0.00 0.00 46.02 45.77 3haz n GLY 560 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3haz h PHE 561 N 0.00 -0.32 -0.63 1.61 3.57 -1.16 -2.55 116.94 117.46 3haz h PHE 561 Ca 0.00 0.01 0.13 0.00 3.53 0.00 0.00 57.97 61.64 3haz h PHE 561 Cb 0.72 0.14 -0.10 0.00 2.79 0.00 0.00 35.95 39.50 3haz h PHE 561 CO 0.00 -0.19 0.02 0.00 -2.23 0.00 0.00 178.31 175.91 3haz h ALA 562 N 0.72 0.64 -0.24 2.41 0.00 -1.76 0.24 119.26 121.27 3haz h ALA 562 Ca 0.04 0.19 -0.07 0.00 0.00 0.00 0.00 54.91 55.07 3haz h ALA 562 Cb 0.27 0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 3haz h ALA 562 CO -0.11 -0.39 -0.12 0.78 0.00 0.00 0.00 179.25 179.41 3haz h GLY 563 N 0.13 0.56 0.94 0.00 0.00 -1.78 -3.02 103.07 99.91 3haz h GLY 563 Ca 0.33 -0.50 -0.08 0.00 0.00 0.00 0.00 47.33 47.08 3haz h GLY 563 CO -0.53 0.46 -0.06 -0.25 0.00 0.00 0.00 176.54 176.16 3haz h TRP 564 N 0.23 0.77 -0.08 5.60 2.91 -1.00 -2.27 115.95 122.11 3haz h TRP 564 Ca 0.05 -0.16 0.00 0.00 1.13 0.00 0.00 58.89 59.92 3haz h TRP 564 Cb 0.63 -0.19 -0.00 0.00 -0.51 0.00 0.00 29.16 29.08 3haz h TRP 564 CO 0.06 0.83 0.05 0.66 -1.03 0.00 0.00 178.44 179.02 3haz h SER 565 N 0.50 0.08 0.24 2.65 4.64 -1.02 -1.61 113.55 119.02 3haz h SER 565 Ca 0.10 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 3haz h SER 565 Cb 0.56 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.63 3haz h SER 565 CO 0.03 0.06 -0.36 0.54 -0.87 0.00 0.00 176.83 176.23 3haz n ARG 566 N -4.53 0.70 -2.08 4.77 1.74 -1.08 -4.78 116.66 111.40 3haz n ARG 566 Ca -0.02 -0.45 -0.42 0.00 -0.77 0.00 0.00 57.85 56.20 3haz n ARG 566 Cb 0.10 -1.49 -0.03 0.00 -1.02 0.00 0.00 32.46 30.02 3haz n ARG 566 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3haz s THR 567 N -2.61 3.13 0.33 0.55 2.01 -0.61 -4.95 115.64 113.50 3haz s THR 567 Ca 0.21 0.77 -0.27 0.00 0.31 0.00 0.00 61.69 62.70 3haz s THR 567 Cb 0.19 -3.49 -0.13 0.00 0.01 0.00 0.00 72.50 69.07 3haz s THR 567 CO 0.57 0.05 1.06 -2.65 -0.69 0.00 0.00 174.62 172.96 3haz n PRO 568 N 4.28 1.50 -0.35 4.92 -0.02 -1.26 -4.75 135.00 139.31 3haz n PRO 568 Ca 0.13 0.53 0.08 0.00 -2.02 0.00 0.00 63.50 62.21 3haz n PRO 568 Cb 0.41 -1.98 0.26 0.00 -0.02 0.00 0.00 33.50 32.17 3haz n PRO 568 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3haz h ALA 569 N 1.98 1.56 -0.21 3.55 0.00 -1.91 -0.34 119.26 123.89 3haz h ALA 569 Ca -0.42 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.48 3haz h ALA 569 Cb 1.33 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 3haz h ALA 569 CO 0.60 0.19 -0.03 0.78 0.00 0.00 0.00 179.25 180.79 3haz h GLY 570 N 0.96 0.34 1.49 0.00 0.00 -1.91 0.23 103.07 104.17 3haz h GLY 570 Ca 0.49 -0.19 -0.21 0.00 0.00 0.00 0.00 47.33 47.43 3haz h GLY 570 CO -0.26 0.17 -0.82 -2.22 0.00 0.00 0.00 176.54 173.41 3haz h ILE 571 N 0.31 1.36 -0.44 2.60 2.04 -1.44 -1.03 117.51 120.92 3haz h ILE 571 Ca 0.07 -2.22 -0.05 0.00 1.00 0.00 0.00 64.86 63.66 3haz h ILE 571 Cb 0.26 2.20 -0.02 0.00 -0.74 0.00 0.00 36.82 38.53 3haz h ILE 571 CO 0.01 0.67 0.07 0.03 0.00 0.00 0.00 178.15 178.93 3haz h ARG 572 N 0.31 0.73 -0.68 2.37 3.08 -0.56 -2.63 114.38 117.00 3haz h ARG 572 Ca -0.06 -0.20 -0.02 0.00 0.07 0.00 0.00 59.98 59.78 3haz h ARG 572 Cb 1.43 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 31.37 3haz h ARG 572 CO 0.15 0.76 0.35 0.00 -1.07 0.00 0.00 179.97 180.16 3haz h ALA 573 N 0.94 0.87 -0.49 0.04 0.00 -0.54 -2.00 119.26 118.08 3haz h ALA 573 Ca 0.13 -0.12 0.04 0.00 0.00 0.00 0.00 54.91 54.95 3haz h ALA 573 Cb 0.38 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 3haz h ALA 573 CO 0.01 0.41 0.32 0.00 0.00 0.00 0.00 179.25 179.99 3haz h ALA 574 N 1.17 1.80 -0.34 0.00 0.00 -1.07 -0.98 119.26 119.83 3haz h ALA 574 Ca 0.24 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 55.06 3haz h ALA 574 Cb 0.08 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3haz h ALA 574 CO -0.03 0.14 -0.05 0.00 0.00 0.00 0.00 179.25 179.31 3haz h ALA 575 N 1.72 0.47 -0.44 0.00 0.00 -1.00 -1.54 119.26 118.48 3haz h ALA 575 Ca 0.20 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 3haz h ALA 575 Cb 0.13 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 3haz h ALA 575 CO -0.05 0.28 0.24 -0.07 0.00 0.00 0.00 179.25 179.66 3haz h LEU 576 N 0.44 0.54 -1.15 0.00 4.07 -1.05 -1.61 115.31 116.54 3haz h LEU 576 Ca 0.09 -0.08 -0.07 0.00 0.08 0.00 0.00 57.88 57.90 3haz h LEU 576 Cb 0.53 -0.14 -0.01 0.00 1.08 0.00 0.00 40.66 42.12 3haz h LEU 576 CO 0.03 0.47 -0.17 -0.33 -1.08 0.00 0.00 178.44 177.36 3haz h GLU 577 N 0.57 0.39 -0.06 1.13 5.08 -1.06 -0.14 114.58 120.50 3haz h GLU 577 Ca 0.15 -0.11 -0.16 0.00 -1.00 0.00 0.00 59.36 58.24 3haz h GLU 577 Cb 0.04 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 3haz h GLU 577 CO -0.03 0.55 -0.66 0.37 -1.00 0.00 0.00 179.01 178.25 3haz h GLN 578 N 0.36 0.23 -0.24 2.33 5.75 -1.14 -1.77 115.11 120.62 3haz h GLN 578 Ca 0.06 -0.17 -0.01 0.00 -0.15 0.00 0.00 58.65 58.38 3haz h GLN 578 Cb 0.51 0.03 -0.01 0.00 1.07 0.00 0.00 27.48 29.08 3haz h GLN 578 CO 0.03 0.80 0.12 0.00 -2.65 0.00 0.00 178.83 177.13 3haz h ALA 579 N 1.15 0.31 -0.24 3.38 0.00 -0.35 0.11 119.26 123.62 3haz h ALA 579 Ca -0.01 -0.09 0.06 0.00 0.00 0.00 0.00 54.91 54.86 3haz h ALA 579 Cb 1.18 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.82 3haz h ALA 579 CO 0.10 -0.13 -0.13 0.00 0.00 0.00 0.00 179.25 179.10 3haz h ALA 580 N 0.98 0.06 -0.99 0.00 0.00 -0.96 0.80 119.26 119.14 3haz h ALA 580 Ca 0.08 0.09 0.09 0.00 0.00 0.00 0.00 54.91 55.17 3haz h ALA 580 Cb 0.12 0.31 -0.07 0.00 0.00 0.00 0.00 17.79 18.14 3haz h ALA 580 CO -0.01 -0.54 0.63 1.25 0.00 0.00 0.00 179.25 180.58 3haz h HIS 581 N -0.11 1.16 -0.26 0.00 6.17 -1.06 -2.36 115.15 118.69 3haz h HIS 581 Ca 0.13 0.03 -0.14 0.00 0.71 0.00 0.00 60.37 61.10 3haz h HIS 581 Cb 0.30 -0.38 -0.00 0.00 2.52 0.00 0.00 27.41 29.86 3haz h HIS 581 CO -0.30 0.55 -0.39 -0.07 0.71 0.00 0.00 177.93 178.42 3haz h LEU 582 N 1.09 0.79 -0.46 0.26 3.38 -0.06 -1.63 115.31 118.68 3haz h LEU 582 Ca 0.45 -0.51 0.06 0.00 0.09 0.00 0.00 57.88 57.97 3haz h LEU 582 Cb 0.29 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 40.77 3haz h LEU 582 CO -0.21 1.15 0.17 -0.07 0.09 0.00 0.00 178.44 179.58 3haz h LEU 583 N 0.45 0.20 -0.44 1.67 3.38 -0.54 -0.82 115.31 119.21 3haz h LEU 583 Ca 0.02 0.05 -0.17 0.00 0.09 0.00 0.00 57.88 57.87 3haz h LEU 583 Cb 0.98 0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.75 3haz h LEU 583 CO 0.09 0.14 -0.59 -0.33 0.09 0.00 0.00 178.44 177.85 3haz h GLU 584 N 0.36 0.61 -0.17 1.13 5.08 -1.41 -0.58 114.58 119.60 3haz h GLU 584 Ca 0.22 -0.41 -0.02 0.00 -1.00 0.00 0.00 59.36 58.14 3haz h GLU 584 Cb 0.20 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 3haz h GLU 584 CO -0.21 1.03 -0.01 1.03 -1.00 0.00 0.00 179.01 179.85 3haz h SER 585 N 0.46 0.22 -0.37 1.42 0.87 -0.98 -2.71 113.55 112.45 3haz h SER 585 Ca 0.00 -0.02 -0.18 0.00 -1.23 0.00 0.00 61.79 60.35 3haz h SER 585 Cb 1.15 -0.06 -0.11 0.00 -0.44 0.00 0.00 62.40 62.95 3haz h SER 585 CO 0.11 0.27 -0.05 0.54 -0.53 0.00 0.00 176.83 177.18 3haz n ARG 586 N -4.39 1.93 -0.30 2.24 1.74 -0.34 -4.77 116.66 112.77 3haz n ARG 586 Ca -0.00 -3.16 0.06 0.00 -0.77 0.00 0.00 57.85 53.98 3haz n ARG 586 Cb 0.17 -1.83 0.21 0.00 -1.02 0.00 0.00 32.46 29.99 3haz n ARG 586 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 3haz h SER 587 N 1.05 0.60 -0.78 0.55 4.64 -0.77 -1.69 113.55 117.15 3haz h SER 587 Ca 0.22 0.08 0.02 0.00 -0.47 0.00 0.00 61.79 61.64 3haz h SER 587 Cb 1.69 -0.02 -0.04 0.00 -0.31 0.00 0.00 62.40 63.72 3haz h SER 587 CO 0.41 0.28 0.51 0.00 -0.87 0.00 0.00 176.83 177.15 3haz h ALA 588 N 1.53 1.01 -0.39 5.18 0.00 -1.86 0.21 119.26 124.95 3haz h ALA 588 Ca 0.45 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.31 3haz h ALA 588 Cb 0.58 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 3haz h ALA 588 CO -0.33 0.36 0.20 1.25 0.00 0.00 0.00 179.25 180.73 3haz h HIS 589 N 1.02 0.55 -0.04 0.00 6.17 -1.64 -0.88 115.15 120.33 3haz h HIS 589 Ca 0.30 -0.02 -0.23 0.00 0.71 0.00 0.00 60.37 61.13 3haz h HIS 589 Cb -0.06 -0.17 0.01 0.00 2.52 0.00 0.00 27.41 29.70 3haz h HIS 589 CO -0.02 0.44 -0.91 0.74 0.71 0.00 0.00 177.93 178.89 3haz h PHE 590 N 0.49 0.80 -0.20 5.26 -1.00 -1.09 -2.36 116.94 118.84 3haz h PHE 590 Ca 0.13 -0.41 0.03 0.00 2.81 0.00 0.00 57.97 60.53 3haz h PHE 590 Cb 0.09 -0.10 -0.03 0.00 3.61 0.00 0.00 35.95 39.52 3haz h PHE 590 CO -0.02 1.23 0.04 0.82 -1.61 0.00 0.00 178.31 178.77 3haz h ILE 591 N 0.34 0.91 -0.69 -0.55 2.04 -0.56 0.18 117.51 119.17 3haz h ILE 591 Ca -0.08 -0.04 0.09 0.00 1.00 0.00 0.00 64.86 65.83 3haz h ILE 591 Cb 1.54 0.78 -0.04 0.00 -0.74 0.00 0.00 36.82 38.36 3haz h ILE 591 CO 0.17 0.02 0.45 0.00 0.00 0.00 0.00 178.15 178.79 3haz h ALA 592 N 1.15 1.87 -0.15 1.87 0.00 -1.10 -0.41 119.26 122.49 3haz h ALA 592 Ca 0.09 -0.01 -0.22 0.00 0.00 0.00 0.00 54.91 54.77 3haz h ALA 592 Cb 0.09 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 17.75 3haz h ALA 592 CO -0.12 -0.01 -0.77 1.25 0.00 0.00 0.00 179.25 179.60 3haz h LEU 593 N 0.58 0.92 -1.36 0.00 5.85 -0.74 -1.53 115.31 119.05 3haz h LEU 593 Ca 0.31 -0.60 -0.05 0.00 0.84 0.00 0.00 57.88 58.39 3haz h LEU 593 Cb 0.45 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.20 3haz h LEU 593 CO -0.10 1.40 -0.08 -0.07 -0.34 0.00 0.00 178.44 179.25 3haz h LEU 594 N 0.53 0.32 0.07 2.25 3.38 0.36 -0.00 115.31 122.21 3haz h LEU 594 Ca -0.05 -0.06 -0.19 0.00 0.09 0.00 0.00 57.88 57.67 3haz h LEU 594 Cb 1.40 -0.08 0.02 0.00 0.09 0.00 0.00 40.66 42.08 3haz h LEU 594 CO 0.16 0.44 -0.80 1.56 0.09 0.00 0.00 178.44 179.89 3haz h GLN 595 N 0.32 0.42 0.08 1.13 4.20 -1.00 -1.80 115.11 118.47 3haz h GLN 595 Ca 0.07 -0.54 -0.00 0.00 0.06 0.00 0.00 58.65 58.23 3haz h GLN 595 Cb 0.34 0.18 0.00 0.00 0.30 0.00 0.00 27.48 28.30 3haz h GLN 595 CO 0.02 1.20 -0.04 0.00 -0.67 0.00 0.00 178.83 179.34 3haz h ARG 596 N -0.11 -0.11 0.10 1.46 2.47 -1.15 -1.18 114.38 115.86 3haz h ARG 596 Ca -0.12 0.01 -0.29 0.00 -1.26 0.00 0.00 59.98 58.32 3haz h ARG 596 Cb 1.54 0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 29.87 3haz h ARG 596 CO 0.15 0.44 -1.44 1.49 0.56 0.00 0.00 179.97 181.18 3haz h GLU 597 N -0.85 0.21 0.00 0.04 4.81 -1.19 -3.37 114.58 114.23 3haz h GLU 597 Ca -0.01 -0.35 -0.14 0.00 -0.13 0.00 0.00 59.36 58.72 3haz h GLU 597 Cb 0.60 0.13 -0.02 0.00 0.63 0.00 0.00 28.75 30.08 3haz h GLU 597 CO 0.02 1.07 -1.19 0.78 -0.73 0.00 0.00 179.01 178.96 3haz h GLY 598 N 1.94 0.00 -0.39 1.92 0.00 -1.34 -3.47 103.07 101.73 3haz h GLY 598 Ca -0.20 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.02 3haz h GLY 598 CO 0.16 0.00 -0.11 0.61 0.00 0.00 0.00 176.54 177.20 3haz n GLY 599 N 1.34 0.61 3.82 4.60 0.00 -0.45 -4.90 105.19 110.22 3haz n GLY 599 Ca -0.06 -0.78 -0.37 0.00 0.00 0.00 0.00 46.02 44.80 3haz n GLY 599 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3haz s LYS 600 N -2.95 4.14 1.02 1.61 1.02 -0.99 -4.29 119.74 119.30 3haz s LYS 600 Ca 0.00 0.68 -0.12 0.00 0.02 0.00 0.00 55.97 56.55 3haz s LYS 600 Cb 0.00 -3.12 0.20 0.00 -0.52 0.00 0.00 37.83 34.39 3haz s LYS 600 CO 0.00 0.58 1.08 0.95 -0.92 0.00 0.00 175.35 177.03 3haz s THR 601 N -1.24 2.23 0.15 2.17 -4.23 -1.26 -4.26 115.64 109.19 3haz s THR 601 Ca 0.33 0.08 -0.17 0.00 -1.18 0.00 0.00 61.69 60.74 3haz s THR 601 Cb -0.18 -2.38 0.00 0.00 1.34 0.00 0.00 72.50 71.28 3haz s THR 601 CO 0.19 -0.10 1.79 0.25 -0.54 0.00 0.00 174.62 176.22 3haz h LEU 602 N -2.03 0.44 -0.99 4.79 5.85 -1.90 -0.96 115.31 120.51 3haz h LEU 602 Ca -0.54 -0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.15 3haz h LEU 602 Cb 1.31 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 42.18 3haz h LEU 602 CO 0.53 0.34 0.64 0.44 -0.34 0.00 0.00 178.44 180.05 3haz h ASP 603 N 0.50 1.15 -0.36 1.25 3.32 -1.96 -1.37 116.42 118.96 3haz h ASP 603 Ca 0.14 -0.04 -0.16 0.00 0.02 0.00 0.00 57.03 56.99 3haz h ASP 603 Cb -0.03 -0.29 -0.00 0.00 0.22 0.00 0.00 39.33 39.23 3haz h ASP 603 CO -0.03 0.84 -0.40 0.44 -1.72 0.00 0.00 179.24 178.38 3haz h ASP 604 N 1.35 0.98 0.13 6.45 3.32 -1.81 -1.51 116.42 125.32 3haz h ASP 604 Ca 0.36 -0.48 -0.01 0.00 0.02 0.00 0.00 57.03 56.93 3haz h ASP 604 Cb -0.14 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.14 3haz h ASP 604 CO -0.08 1.25 -0.06 0.00 -1.72 0.00 0.00 179.24 178.63 3haz h ALA 605 N 0.75 -0.18 -0.54 3.45 0.00 -0.98 -1.03 119.26 120.73 3haz h ALA 605 Ca 0.05 -0.13 0.09 0.00 0.00 0.00 0.00 54.91 54.92 3haz h ALA 605 Cb 0.99 0.07 -0.07 0.00 0.00 0.00 0.00 17.79 18.78 3haz h ALA 605 CO 0.10 -0.49 0.16 1.25 0.00 0.00 0.00 179.25 180.26 3haz h LEU 606 N -0.40 0.11 -0.44 0.00 5.85 -1.28 0.80 115.31 119.95 3haz h LEU 606 Ca -0.02 0.08 0.05 0.00 0.84 0.00 0.00 57.88 58.83 3haz h LEU 606 Cb 0.32 0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.40 3haz h LEU 606 CO 0.03 0.08 0.19 -1.28 -0.34 0.00 0.00 178.44 177.12 3haz h SER 607 N 0.32 0.24 -0.59 1.25 0.87 -1.17 -1.04 113.55 113.43 3haz h SER 607 Ca 0.27 0.04 -0.07 0.00 -1.23 0.00 0.00 61.79 60.80 3haz h SER 607 Cb 0.35 -0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.28 3haz h SER 607 CO -0.31 0.17 0.10 -0.08 -0.53 0.00 0.00 176.83 176.18 3haz h GLU 608 N 0.38 0.97 -0.32 2.24 4.81 -0.18 -1.03 114.58 121.44 3haz h GLU 608 Ca 0.20 -0.26 0.02 0.00 -0.13 0.00 0.00 59.36 59.19 3haz h GLU 608 Cb 0.15 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.39 3haz h GLU 608 CO -0.17 0.92 0.15 1.25 -0.73 0.00 0.00 179.01 180.43 3haz h LEU 609 N 0.87 0.22 -0.80 1.64 7.12 -0.59 0.14 115.31 123.91 3haz h LEU 609 Ca 0.18 0.02 0.03 0.00 0.13 0.00 0.00 57.88 58.24 3haz h LEU 609 Cb 0.42 -0.02 -0.05 0.00 -0.53 0.00 0.00 40.66 40.47 3haz h LEU 609 CO 0.01 0.17 0.51 0.03 -0.13 0.00 0.00 178.44 179.03 3haz h ARG 610 N 0.32 0.96 -0.67 1.25 3.08 -0.90 -2.33 114.38 116.09 3haz h ARG 610 Ca 0.14 -0.06 -0.05 0.00 0.07 0.00 0.00 59.98 60.08 3haz h ARG 610 Cb 0.06 -0.22 -0.03 0.00 0.08 0.00 0.00 29.97 29.86 3haz h ARG 610 CO -0.10 0.64 0.21 1.49 -1.07 0.00 0.00 179.97 181.13 3haz h GLU 611 N 0.99 1.03 -0.07 0.04 4.81 -0.49 0.11 114.58 121.01 3haz h GLU 611 Ca 0.32 -0.21 -0.00 0.00 -0.13 0.00 0.00 59.36 59.34 3haz h GLU 611 Cb 0.01 -0.16 -0.00 0.00 0.63 0.00 0.00 28.75 29.23 3haz h GLU 611 CO -0.11 0.88 0.03 0.00 -0.73 0.00 0.00 179.01 179.08 3haz h ALA 612 N 1.23 0.09 -0.81 2.92 0.00 -0.57 0.88 119.26 123.00 3haz h ALA 612 Ca 0.22 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 3haz h ALA 612 Cb 0.28 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 3haz h ALA 612 CO -0.01 -0.33 0.36 0.00 0.00 0.00 0.00 179.25 179.27 3haz h ALA 613 N 0.87 1.10 -0.73 0.00 0.00 -1.21 -2.56 119.26 116.73 3haz h ALA 613 Ca 0.02 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 3haz h ALA 613 Cb 0.16 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 3haz h ALA 613 CO -0.00 0.66 0.31 -0.44 0.00 0.00 0.00 179.25 179.78 3haz h ASP 614 N 1.16 0.99 -0.60 0.00 3.32 -0.48 -2.17 116.42 118.64 3haz h ASP 614 Ca 0.27 -0.16 0.08 0.00 0.02 0.00 0.00 57.03 57.24 3haz h ASP 614 Cb 0.17 -0.26 -0.06 0.00 0.22 0.00 0.00 39.33 39.40 3haz h ASP 614 CO -0.03 0.88 0.28 -0.26 -1.72 0.00 0.00 179.24 178.38 3haz h PHE 615 N 1.04 0.49 -0.15 4.55 0.05 -0.59 -0.13 116.94 122.21 3haz h PHE 615 Ca 0.25 0.03 -0.01 0.00 3.82 0.00 0.00 57.97 62.05 3haz h PHE 615 Cb 0.18 -0.13 -0.01 0.00 2.00 0.00 0.00 35.95 37.99 3haz h PHE 615 CO 0.01 0.19 0.05 0.00 -0.18 0.00 0.00 178.31 178.39 3haz h ARG 617 N 0.08 0.68 -0.08 0.00 3.08 -1.27 -1.09 114.38 115.78 3haz h ARG 617 Ca 0.05 -0.35 -0.02 0.00 0.07 0.00 0.00 59.98 59.73 3haz h ARG 617 Cb 0.20 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.25 3haz h ARG 617 CO -0.00 0.96 -0.04 -0.92 -1.07 0.00 0.00 179.97 178.90 3haz h TYR 618 N 0.56 0.20 -0.12 3.04 3.20 -0.98 -0.53 116.97 122.34 3haz h TYR 618 Ca 0.05 -0.05 -0.08 0.00 3.14 0.00 0.00 58.73 61.79 3haz h TYR 618 Cb 0.93 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 39.14 3haz h TYR 618 CO 0.04 0.53 -0.27 1.88 -1.64 0.00 0.00 178.16 178.70 3haz h TYR 619 N -0.19 0.25 0.13 -3.82 0.05 -1.32 0.26 116.97 112.33 3haz h TYR 619 Ca 0.02 -0.05 -0.01 0.00 0.05 0.00 0.00 58.73 58.75 3haz h TYR 619 Cb 0.47 -0.06 0.00 0.00 1.01 0.00 0.00 36.73 38.15 3haz h TYR 619 CO 0.06 0.48 -0.06 0.00 -1.05 0.00 0.00 178.16 177.60 3haz h ALA 620 N 1.52 -0.17 -0.30 3.88 0.00 -1.05 0.46 119.26 123.61 3haz h ALA 620 Ca 0.03 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 3haz h ALA 620 Cb 0.59 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 3haz h ALA 620 CO 0.04 -0.58 0.13 0.00 0.00 0.00 0.00 179.25 178.84 3haz h ALA 621 N 0.67 0.38 -0.19 0.00 0.00 -0.75 -1.12 119.26 118.25 3haz h ALA 621 Ca -0.02 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.71 3haz h ALA 621 Cb 0.16 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3haz h ALA 621 CO 0.03 -0.03 -0.19 1.96 0.00 0.00 0.00 179.25 181.02 3haz h GLN 622 N 0.34 0.32 -0.68 0.00 1.08 -0.94 -2.71 115.11 112.51 3haz h GLN 622 Ca 0.10 -0.09 -0.01 0.00 -1.45 0.00 0.00 58.65 57.19 3haz h GLN 622 Cb 0.16 -0.03 -0.03 0.00 -0.05 0.00 0.00 27.48 27.52 3haz h GLN 622 CO -0.01 0.51 0.37 0.78 -0.95 0.00 0.00 178.83 179.53 3haz h GLY 623 N 0.90 1.02 0.82 3.46 0.00 0.65 -1.07 103.07 108.86 3haz h GLY 623 Ca 0.05 -0.47 -0.03 0.00 0.00 0.00 0.00 47.33 46.89 3haz h GLY 623 CO 0.03 0.45 0.01 3.21 0.00 0.00 0.00 176.54 180.24 3haz h ARG 624 N 0.94 0.33 -0.74 4.80 3.08 -1.00 0.21 114.38 122.00 3haz h ARG 624 Ca 0.24 -0.10 0.08 0.00 0.07 0.00 0.00 59.98 60.27 3haz h ARG 624 Cb 0.04 -0.03 -0.06 0.00 0.08 0.00 0.00 29.97 29.99 3haz h ARG 624 CO -0.04 0.52 0.42 0.87 -1.07 0.00 0.00 179.97 180.66 3haz h LYS 625 N 0.11 0.71 0.10 0.04 1.57 -1.34 0.16 116.57 117.91 3haz h LYS 625 Ca 0.06 -0.04 -0.28 0.00 -1.87 0.00 0.00 60.65 58.51 3haz h LYS 625 Cb 0.36 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.50 3haz h LYS 625 CO 0.01 0.47 -1.49 1.25 -0.57 0.00 0.00 179.45 179.12 3haz h LEU 626 N 0.74 0.33 -1.38 2.94 5.85 -1.08 -3.40 115.31 119.31 3haz h LEU 626 Ca 0.35 -0.82 0.00 0.00 0.84 0.00 0.00 57.88 58.24 3haz h LEU 626 Cb 0.27 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.19 3haz h LEU 626 CO -0.22 1.64 -0.07 0.49 -0.34 0.00 0.00 178.44 179.95 3haz n PHE 627 N -3.92 0.00 -0.23 1.25 3.01 0.73 -4.57 117.46 113.73 3haz n PHE 627 Ca -0.27 0.00 -0.05 0.00 1.01 0.00 0.00 57.45 58.14 3haz n PHE 627 Cb 0.89 0.00 0.11 0.00 -0.01 0.00 0.00 39.48 40.47 3haz n PHE 627 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 3haz h GLY 628 N 2.86 1.14 -2.37 1.37 0.00 -0.65 -3.42 103.07 102.00 3haz h GLY 628 Ca 0.00 -0.66 0.02 0.00 0.00 0.00 0.00 47.33 46.69 3haz h GLY 628 CO 0.00 0.61 0.13 -1.35 0.00 0.00 0.00 176.54 175.94 3haz s SER 629 N -6.46 -0.29 0.66 0.19 1.04 -1.26 -4.90 113.70 102.68 3haz s SER 629 Ca -0.11 -0.50 -0.11 0.00 0.48 0.00 0.00 55.95 55.70 3haz s SER 629 Cb 0.15 0.65 -0.01 0.00 0.10 0.00 0.00 66.02 66.92 3haz s SER 629 CO 0.83 -1.18 1.05 -1.83 0.98 0.00 0.00 173.24 173.09 3haz s GLU 630 N -3.89 3.14 -0.26 4.02 -1.05 -1.26 -4.94 118.70 114.46 3haz s GLU 630 Ca 0.10 0.94 -0.10 0.00 -0.15 0.00 0.00 54.97 55.76 3haz s GLU 630 Cb -0.03 -2.02 -0.04 0.00 -0.44 0.00 0.00 34.13 31.60 3haz s GLU 630 CO 0.01 -0.94 0.14 0.99 0.95 0.00 0.00 175.26 176.42 3haz s THR 631 N -3.00 5.01 0.11 1.83 2.01 -0.09 -4.92 115.64 116.58 3haz s THR 631 Ca 0.58 0.06 -0.30 0.00 0.31 0.00 0.00 61.69 62.34 3haz s THR 631 Cb -0.13 -3.36 -0.06 0.00 0.01 0.00 0.00 72.50 68.96 3haz s THR 631 CO 0.52 0.30 1.13 0.00 -0.69 0.00 0.00 174.62 175.89 3haz s ALA 632 N 1.51 3.36 -0.01 7.40 0.00 -1.26 -0.56 121.76 132.19 3haz s ALA 632 Ca 0.07 0.80 -0.02 0.00 0.00 0.00 0.00 51.96 52.81 3haz s ALA 632 Cb -0.15 -3.39 -0.04 0.00 0.00 0.00 0.00 23.12 19.54 3haz s ALA 632 CO 0.07 -0.31 0.14 -1.64 0.00 0.00 0.00 175.76 174.02 3haz s MET 633 N 0.37 3.27 0.60 0.00 -1.94 0.28 -4.95 119.30 116.93 3haz s MET 633 Ca 0.54 -0.38 -0.19 0.00 -1.71 0.00 0.00 55.69 53.94 3haz s MET 633 Cb -0.29 -3.00 -0.03 0.00 2.01 0.00 0.00 34.83 33.53 3haz s MET 633 CO 0.32 0.67 1.23 -1.25 -0.01 0.00 0.00 175.02 175.98 3haz s PRO 634 N -1.81 2.89 0.06 2.03 0.04 -1.26 -4.53 135.00 132.42 3haz s PRO 634 Ca 0.25 1.89 -0.20 0.00 0.04 0.00 0.00 61.00 62.98 3haz s PRO 634 Cb -0.12 -1.92 0.07 0.00 0.04 0.00 0.00 34.50 32.56 3haz s PRO 634 CO 0.16 -1.29 0.91 0.41 0.04 0.00 0.00 177.00 177.23 3haz n GLY 635 N 0.60 0.52 3.79 0.56 0.00 -1.26 -4.97 105.19 104.42 3haz n GLY 635 Ca 0.14 -1.05 -0.32 0.00 0.00 0.00 0.00 46.02 44.80 3haz n GLY 635 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3haz s PRO 636 N -2.02 2.68 0.84 1.61 0.04 -1.26 -5.02 135.00 131.88 3haz s PRO 636 Ca 0.21 1.16 -0.12 0.00 0.04 0.00 0.00 61.00 62.29 3haz s PRO 636 Cb -0.01 -1.95 0.10 0.00 0.04 0.00 0.00 34.50 32.68 3haz s PRO 636 CO 0.02 -1.31 1.18 -0.08 0.04 0.00 0.00 177.00 176.85 3haz s THR 637 N -2.77 2.07 -0.53 1.26 -1.32 -1.26 -3.41 115.64 109.69 3haz s THR 637 Ca 0.62 0.03 0.00 0.00 -1.21 0.00 0.00 61.69 61.13 3haz s THR 637 Cb -0.17 -2.30 0.00 0.00 -1.51 0.00 0.00 72.50 68.52 3haz s THR 637 CO 0.50 -0.03 0.00 0.61 -2.21 0.00 0.00 174.62 173.50 3haz n GLY 638 N 0.36 0.75 3.37 6.08 0.00 -1.26 -4.99 105.19 109.51 3haz n GLY 638 Ca 0.13 -0.57 -0.13 0.00 0.00 0.00 0.00 46.02 45.45 3haz n GLY 638 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3haz s GLU 639 N -2.08 0.54 -0.01 1.61 2.12 -1.22 -1.19 118.70 118.46 3haz s GLU 639 Ca 0.00 0.69 0.04 0.00 0.36 0.00 0.00 54.97 56.06 3haz s GLU 639 Cb 0.00 0.23 -0.03 0.00 0.26 0.00 0.00 34.13 34.59 3haz s GLU 639 CO 0.00 -0.08 -0.10 -1.54 -0.54 0.00 0.00 175.26 173.00 3haz s SER 640 N 0.44 4.36 -0.10 -1.70 1.04 -0.26 -4.74 113.70 112.74 3haz s SER 640 Ca -0.02 -0.19 -0.02 0.00 0.48 0.00 0.00 55.95 56.21 3haz s SER 640 Cb -0.04 -0.96 0.03 0.00 0.10 0.00 0.00 66.02 65.15 3haz s SER 640 CO -0.02 0.30 0.01 0.20 0.98 0.00 0.00 173.24 174.72 3haz s ASN 641 N -1.19 1.84 -0.05 7.02 0.01 -1.26 -1.07 114.94 120.24 3haz s ASN 641 Ca 0.15 -0.23 0.03 0.00 -0.71 0.00 0.00 52.86 52.10 3haz s ASN 641 Cb -0.11 -0.46 0.01 0.00 0.41 0.00 0.00 41.25 41.10 3haz s ASN 641 CO 0.05 -0.22 -0.11 0.00 -1.51 0.00 0.00 177.10 175.31 3haz s ALA 642 N 1.96 1.11 -0.21 0.60 0.00 -0.59 -0.56 121.76 124.08 3haz s ALA 642 Ca 0.04 -0.39 -0.08 0.00 0.00 0.00 0.00 51.96 51.52 3haz s ALA 642 Cb -0.13 -0.46 -0.04 0.00 0.00 0.00 0.00 23.12 22.49 3haz s ALA 642 CO -0.06 0.14 0.09 -1.17 0.00 0.00 0.00 175.76 174.76 3haz s LEU 643 N 0.42 3.80 0.27 0.00 2.96 0.27 -1.08 118.68 125.33 3haz s LEU 643 Ca -0.09 0.03 0.07 0.00 -0.22 0.00 0.00 54.13 53.93 3haz s LEU 643 Cb -0.13 -1.99 -0.06 0.00 0.50 0.00 0.00 46.19 44.52 3haz s LEU 643 CO 0.02 0.11 -0.08 0.42 -1.32 0.00 0.00 176.35 175.49 3haz s THR 644 N 0.78 1.74 -0.13 3.68 -4.23 0.03 -0.92 115.64 116.59 3haz s THR 644 Ca 0.04 -2.16 0.02 0.00 -1.18 0.00 0.00 61.69 58.41 3haz s THR 644 Cb -0.13 -2.37 0.01 0.00 1.34 0.00 0.00 72.50 71.35 3haz s THR 644 CO 0.02 -0.36 -0.19 -0.04 -0.54 0.00 0.00 174.62 173.51 3haz s MET 645 N -3.69 2.69 0.21 3.99 1.00 -1.26 -0.95 119.30 121.28 3haz s MET 645 Ca 0.28 -0.73 0.11 0.00 0.00 0.00 0.00 55.69 55.35 3haz s MET 645 Cb 0.02 -2.23 -0.05 0.00 0.00 0.00 0.00 34.83 32.58 3haz s MET 645 CO 0.11 -0.06 -0.22 1.03 0.00 0.00 0.00 175.02 175.88 3haz s ARG 646 N 0.95 1.51 0.65 2.03 0.52 0.13 -4.91 118.95 119.85 3haz s ARG 646 Ca -0.05 -1.56 -0.17 0.00 -0.52 0.00 0.00 55.73 53.42 3haz s ARG 646 Cb -0.15 -1.74 -0.03 0.00 0.52 0.00 0.00 34.95 33.55 3haz s ARG 646 CO -0.03 0.36 0.96 0.41 0.02 0.00 0.00 175.30 177.02 3haz n GLY 647 N 0.06 -0.38 0.13 -3.53 0.00 -1.07 -0.58 105.19 99.81 3haz n GLY 647 Ca -0.11 -0.22 -0.19 0.00 0.00 0.00 0.00 46.02 45.50 3haz n GLY 647 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3haz h ARG 648 N 0.17 0.22 0.00 1.61 3.08 -1.81 -3.42 114.38 114.23 3haz h ARG 648 Ca -0.48 -0.38 0.00 0.00 0.07 0.00 0.00 59.98 59.19 3haz h ARG 648 Cb 1.35 0.14 0.00 0.00 0.08 0.00 0.00 29.97 31.54 3haz h ARG 648 CO 0.49 1.07 0.00 0.41 -1.07 0.00 0.00 179.97 180.87 3haz n GLY 649 N 1.88 -0.26 3.56 0.04 0.00 -1.26 -4.88 105.19 104.27 3haz n GLY 649 Ca -0.27 -0.37 -0.40 0.00 0.00 0.00 0.00 46.02 44.97 3haz n GLY 649 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3haz s VAL 650 N -0.32 5.14 -0.07 1.61 1.01 -1.26 -1.86 120.40 124.65 3haz s VAL 650 Ca 0.00 0.22 -0.16 0.00 0.00 0.00 0.00 61.98 62.04 3haz s VAL 650 Cb 0.00 -3.81 -0.05 0.00 0.00 0.00 0.00 36.38 32.52 3haz s VAL 650 CO 0.00 -0.05 0.41 -0.36 0.00 0.00 0.00 175.10 175.10 3haz s PHE 651 N 2.09 3.61 -0.25 5.22 0.08 -0.16 -0.08 117.98 128.48 3haz s PHE 651 Ca 0.14 0.89 -0.17 0.00 0.12 0.00 0.00 56.93 57.91 3haz s PHE 651 Cb -0.16 -2.39 -0.03 0.00 -0.57 0.00 0.00 43.02 39.87 3haz s PHE 651 CO 0.12 0.41 0.45 0.08 -0.10 0.00 0.00 175.22 176.18 3haz s VAL 652 N -0.23 5.13 -0.23 -0.44 1.01 -0.59 -1.13 120.40 123.91 3haz s VAL 652 Ca 0.23 0.75 -0.05 0.00 0.00 0.00 0.00 61.98 62.90 3haz s VAL 652 Cb -0.15 -3.77 -0.02 0.00 0.00 0.00 0.00 36.38 32.44 3haz s VAL 652 CO 0.11 0.14 0.01 0.00 0.00 0.00 0.00 175.10 175.35 3haz s ALA 653 N 2.08 2.98 -0.14 5.51 0.00 -0.23 -1.43 121.76 130.53 3haz s ALA 653 Ca 0.19 -1.15 0.02 0.00 0.00 0.00 0.00 51.96 51.02 3haz s ALA 653 Cb -0.16 -1.87 0.01 0.00 0.00 0.00 0.00 23.12 21.10 3haz s ALA 653 CO 0.09 -0.45 -0.21 0.42 0.00 0.00 0.00 175.76 175.62 3haz s ILE 654 N 1.53 2.21 0.21 0.00 1.01 -0.29 -0.23 121.20 125.64 3haz s ILE 654 Ca 0.06 -0.93 0.10 0.00 0.00 0.00 0.00 60.65 59.87 3haz s ILE 654 Cb -0.15 -1.89 -0.05 0.00 0.01 0.00 0.00 42.46 40.39 3haz s ILE 654 CO -0.00 0.54 -0.18 -0.94 0.00 0.00 0.00 174.94 174.36 3haz s SER 655 N 0.73 2.98 0.68 3.58 1.04 -1.06 -1.87 113.70 119.78 3haz s SER 655 Ca -0.08 -0.95 0.00 0.00 0.48 0.00 0.00 55.95 55.40 3haz s SER 655 Cb -0.16 -0.20 0.11 0.00 0.10 0.00 0.00 66.02 65.87 3haz s SER 655 CO 0.00 -0.04 0.94 -2.16 0.98 0.00 0.00 173.24 172.96 3haz s PRO 656 N -3.22 1.90 0.20 4.02 0.05 -1.20 -1.91 135.00 134.84 3haz s PRO 656 Ca 0.22 -1.08 0.23 0.00 0.05 0.00 0.00 61.00 60.42 3haz s PRO 656 Cb -0.04 -2.38 0.21 0.00 0.05 0.00 0.00 34.50 32.33 3haz s PRO 656 CO 0.09 -1.26 1.25 0.11 0.05 0.00 0.00 177.00 177.25 3haz h TRP 657 N -0.36 0.00 0.00 0.56 5.08 -1.92 -3.37 115.95 115.94 3haz h TRP 657 Ca -0.37 0.00 -0.16 0.00 1.08 0.00 0.00 58.89 59.44 3haz h TRP 657 Cb 1.27 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 27.41 3haz h TRP 657 CO -0.03 0.00 -0.80 -2.95 -1.28 0.00 0.00 178.44 173.38 3haz h ASN 658 N 0.00 0.00 -2.55 0.11 -1.07 -1.96 -3.30 115.58 106.81 3haz h ASN 658 Ca 0.00 0.00 -0.60 0.00 0.07 0.00 0.00 56.30 55.77 3haz h ASN 658 Cb 0.89 0.00 -0.40 0.00 -2.07 0.00 0.00 38.32 36.73 3haz h ASN 658 CO 0.00 0.73 -0.76 0.49 0.07 0.00 0.00 177.43 177.95 3haz n PHE 659 N -3.25 1.68 0.26 4.14 3.01 -1.26 -4.98 117.46 117.05 3haz n PHE 659 Ca -0.00 -3.90 0.15 0.00 1.01 0.00 0.00 57.45 54.70 3haz n PHE 659 Cb 0.84 -0.33 0.60 0.00 -0.01 0.00 0.00 39.48 40.57 3haz n PHE 659 CO 0.00 0.00 0.00 -1.35 1.01 0.00 0.00 176.76 176.42 3haz h PRO 660 N 5.01 0.00 0.00 -1.08 0.11 -1.72 -2.98 132.00 131.34 3haz h PRO 660 Ca 0.18 0.00 -0.22 0.00 0.11 0.00 0.00 66.00 66.07 3haz h PRO 660 Cb 0.79 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.87 3haz h PRO 660 CO 0.61 0.08 -1.66 -0.11 -0.21 0.00 0.00 178.00 176.71 3haz n LEU 661 N -3.21 1.60 -0.02 2.35 7.94 -1.26 -4.36 117.00 120.04 3haz n LEU 661 Ca 0.00 0.27 -0.18 0.00 -1.11 0.00 0.00 56.01 55.00 3haz n LEU 661 Cb 0.35 -0.64 -0.08 0.00 0.53 0.00 0.00 43.42 43.59 3haz n LEU 661 CO 0.30 0.13 0.26 0.00 -1.11 0.00 0.00 177.39 176.97 3haz h ALA 662 N -0.77 0.28 0.01 1.96 0.00 -1.80 -0.11 119.26 118.83 3haz h ALA 662 Ca -0.34 -0.60 -0.23 0.00 0.00 0.00 0.00 54.91 53.74 3haz h ALA 662 Cb 1.21 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.99 3haz h ALA 662 CO -0.21 0.65 -0.96 0.82 0.00 0.00 0.00 179.25 179.56 3haz h ILE 663 N 0.49 1.42 0.14 0.00 2.04 -1.83 0.12 117.51 119.88 3haz h ILE 663 Ca -0.06 -2.52 0.01 0.00 1.00 0.00 0.00 64.86 63.30 3haz h ILE 663 Cb 1.41 2.47 -0.02 0.00 -0.74 0.00 0.00 36.82 39.93 3haz h ILE 663 CO 0.16 0.75 -0.21 0.15 0.00 0.00 0.00 178.15 179.00 3haz h PHE 664 N 0.20 -0.54 -0.05 1.37 3.57 -1.62 -2.35 116.94 117.52 3haz h PHE 664 Ca -0.08 0.01 -0.13 0.00 3.53 0.00 0.00 57.97 61.30 3haz h PHE 664 Cb 1.60 0.22 -0.01 0.00 2.79 0.00 0.00 35.95 40.55 3haz h PHE 664 CO 0.06 -0.30 -0.54 -0.07 -2.23 0.00 0.00 178.31 175.22 3haz h LEU 665 N -0.41 0.17 0.54 0.59 3.38 -1.00 -2.40 115.31 116.19 3haz h LEU 665 Ca 0.02 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 3haz h LEU 665 Cb 0.41 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.12 3haz h LEU 665 CO -0.10 0.68 -0.28 1.23 0.09 0.00 0.00 178.44 180.07 3haz h GLY 666 N 1.49 -0.79 0.99 0.83 0.00 -0.62 -0.04 103.07 104.93 3haz h GLY 666 Ca -0.00 0.30 -0.02 0.00 0.00 0.00 0.00 47.33 47.62 3haz h GLY 666 CO 0.08 -0.29 0.32 1.46 0.00 0.00 0.00 176.54 178.11 3haz h GLN 667 N -0.75 0.86 -0.16 4.80 4.20 -1.45 -1.83 115.11 120.80 3haz h GLN 667 Ca -0.07 -0.11 -0.03 0.00 0.06 0.00 0.00 58.65 58.50 3haz h GLN 667 Cb 0.59 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 28.20 3haz h GLN 667 CO 0.10 0.68 -0.01 0.28 -0.67 0.00 0.00 178.83 179.21 3haz h VAL 668 N 0.83 1.26 0.00 -0.54 2.07 -1.35 -2.66 116.25 115.86 3haz h VAL 668 Ca 0.21 -0.87 -0.12 0.00 0.82 0.00 0.00 66.70 66.74 3haz h VAL 668 Cb 0.08 1.53 -0.02 0.00 -1.52 0.00 0.00 31.29 31.36 3haz h VAL 668 CO -0.03 0.26 -0.59 0.71 0.02 0.00 0.00 177.57 177.94 3haz h THR 669 N 0.01 1.36 0.04 2.57 1.35 -0.99 -1.17 112.91 116.08 3haz h THR 669 Ca 0.04 -2.05 -0.00 0.00 -0.55 0.00 0.00 66.41 63.85 3haz h THR 669 Cb 0.40 2.13 0.00 0.00 -1.73 0.00 0.00 68.15 68.94 3haz h THR 669 CO 0.01 0.57 -0.02 0.00 -0.25 0.00 0.00 175.52 175.84 3haz h ALA 670 N 1.41 -0.05 -0.35 6.62 0.00 -1.30 0.22 119.26 125.82 3haz h ALA 670 Ca -0.01 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.85 3haz h ALA 670 Cb 1.08 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 3haz h ALA 670 CO 0.08 -0.47 0.22 0.00 0.00 0.00 0.00 179.25 179.07 3haz h ALA 671 N 0.80 0.44 -0.52 0.00 0.00 -1.36 -1.48 119.26 117.14 3haz h ALA 671 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3haz h ALA 671 Cb 0.14 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 3haz h ALA 671 CO 0.01 -0.12 0.33 -0.07 0.00 0.00 0.00 179.25 179.40 3haz h LEU 672 N 0.45 0.60 -1.27 0.00 3.38 -1.15 -1.67 115.31 115.65 3haz h LEU 672 Ca 0.13 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 3haz h LEU 672 Cb -0.03 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.54 3haz h LEU 672 CO -0.04 0.44 0.39 -0.03 0.09 0.00 0.00 178.44 179.29 3haz h MET 673 N 0.70 0.89 0.00 1.13 4.05 -0.21 -0.39 114.93 121.09 3haz h MET 673 Ca 0.19 -0.08 0.00 0.00 -0.28 0.00 0.00 59.70 59.53 3haz h MET 673 Cb -0.06 -0.19 0.00 0.00 -0.80 0.00 0.00 31.60 30.55 3haz h MET 673 CO -0.04 0.63 0.00 0.00 0.23 0.00 0.00 176.91 177.73 3haz n ALA 674 N -2.44 2.41 -0.67 0.39 0.00 -0.59 -4.85 120.51 114.76 3haz n ALA 674 Ca 0.07 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.35 3haz n ALA 674 Cb 0.07 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.12 3haz n ALA 674 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3haz n GLY 675 N 0.56 0.83 3.92 0.00 0.00 -0.16 -2.61 105.19 107.73 3haz n GLY 675 Ca 0.18 -0.53 -0.30 0.00 0.00 0.00 0.00 46.02 45.38 3haz n GLY 675 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3haz s ASN 676 N -2.51 6.39 0.58 1.61 0.01 -0.65 -3.60 114.94 116.76 3haz s ASN 676 Ca 0.00 0.34 -0.08 0.00 -0.71 0.00 0.00 52.86 52.41 3haz s ASN 676 Cb 0.00 -1.99 -0.02 0.00 0.41 0.00 0.00 41.25 39.65 3haz s ASN 676 CO 0.00 0.09 0.93 -0.94 -1.51 0.00 0.00 177.10 175.67 3haz s SER 677 N -2.73 5.98 -0.01 -1.22 1.04 -0.78 -3.99 113.70 111.99 3haz s SER 677 Ca 0.37 1.05 0.01 0.00 0.48 0.00 0.00 55.95 57.86 3haz s SER 677 Cb -0.12 -2.14 0.01 0.00 0.10 0.00 0.00 66.02 63.87 3haz s SER 677 CO 0.28 -0.89 -0.02 -0.69 0.98 0.00 0.00 173.24 172.90 3haz s VAL 678 N -3.02 0.25 -0.26 5.02 1.01 0.33 -0.99 120.40 122.74 3haz s VAL 678 Ca 0.53 -0.08 -0.04 0.00 0.00 0.00 0.00 61.98 62.39 3haz s VAL 678 Cb -0.11 -0.25 0.01 0.00 0.00 0.00 0.00 36.38 36.03 3haz s VAL 678 CO 0.49 0.10 0.00 -0.69 0.00 0.00 0.00 175.10 175.00 3haz s VAL 679 N 0.28 3.49 -0.16 2.92 1.01 -0.28 -1.14 120.40 126.51 3haz s VAL 679 Ca -0.03 -0.72 -0.05 0.00 0.00 0.00 0.00 61.98 61.19 3haz s VAL 679 Cb -0.05 -2.73 -0.03 0.00 0.00 0.00 0.00 36.38 33.57 3haz s VAL 679 CO -0.01 0.22 -0.01 0.00 0.00 0.00 0.00 175.10 175.31 3haz s ALA 680 N 1.45 3.13 -0.28 5.51 0.00 0.04 -1.07 121.76 130.53 3haz s ALA 680 Ca 0.03 -0.79 0.02 0.00 0.00 0.00 0.00 51.96 51.21 3haz s ALA 680 Cb -0.16 -1.67 0.07 0.00 0.00 0.00 0.00 23.12 21.36 3haz s ALA 680 CO -0.01 0.21 -0.05 0.21 0.00 0.00 0.00 175.76 176.12 3haz s LYS 681 N 0.34 2.17 0.71 0.00 2.36 0.68 -0.96 119.74 125.02 3haz s LYS 681 Ca -0.02 -1.42 -0.11 0.00 -2.55 0.00 0.00 55.97 51.87 3haz s LYS 681 Cb -0.14 -3.02 0.02 0.00 -1.05 0.00 0.00 37.83 33.64 3haz s LYS 681 CO 0.02 -0.65 1.10 -1.25 1.55 0.00 0.00 175.35 176.12 3haz s PRO 682 N 1.11 2.84 0.33 4.03 0.05 -1.26 -2.56 135.00 139.53 3haz s PRO 682 Ca -0.05 0.45 -0.29 0.00 0.05 0.00 0.00 61.00 61.16 3haz s PRO 682 Cb -0.20 -2.02 -0.12 0.00 0.05 0.00 0.00 34.50 32.21 3haz s PRO 682 CO -0.05 -1.05 1.44 0.00 0.05 0.00 0.00 177.00 177.40 3haz n ALA 683 N -3.01 1.93 0.11 8.56 0.00 -0.80 -4.66 120.51 122.63 3haz n ALA 683 Ca 0.07 0.36 0.18 0.00 0.00 0.00 0.00 53.44 54.05 3haz n ALA 683 Cb 0.57 -2.36 0.74 0.00 0.00 0.00 0.00 19.45 18.40 3haz n ALA 683 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3haz h GLU 684 N 3.40 0.00 0.00 0.00 4.81 -1.90 -0.75 114.58 120.15 3haz h GLU 684 Ca -0.48 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 3haz h GLU 684 Cb 1.25 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.63 3haz h GLU 684 CO 0.68 0.00 0.00 1.96 -0.73 0.00 0.00 179.01 180.92 3haz h GLN 685 N 0.00 0.00 -1.77 1.92 7.50 -1.92 -3.38 115.11 117.45 3haz h GLN 685 Ca 0.16 0.00 -0.46 0.00 0.50 0.00 0.00 58.65 58.85 3haz h GLN 685 Cb 0.74 0.00 -0.40 0.00 0.05 0.00 0.00 27.48 27.86 3haz h GLN 685 CO -0.00 0.00 -1.16 0.25 -1.50 0.00 0.00 178.83 176.42 3haz n THR 686 N -2.73 0.34 0.09 -0.54 -2.24 -0.29 -4.90 114.28 104.01 3haz n THR 686 Ca 0.03 -4.29 -0.07 0.00 -2.27 0.00 0.00 64.05 57.45 3haz n THR 686 Cb 0.41 -0.13 -0.02 0.00 -2.10 0.00 0.00 70.33 68.49 3haz n THR 686 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 3haz h PRO 687 N 2.99 0.11 0.13 -0.78 0.11 -1.75 -3.32 132.00 129.49 3haz h PRO 687 Ca 0.06 -0.13 -0.01 0.00 0.11 0.00 0.00 66.00 66.03 3haz h PRO 687 Cb 0.99 0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.14 3haz h PRO 687 CO 0.53 0.93 -0.06 0.00 -0.21 0.00 0.00 178.00 179.18 3haz h ARG 688 N 0.06 -0.17 -0.91 1.05 -0.00 -1.93 -0.01 114.38 112.46 3haz h ARG 688 Ca -0.03 0.01 -0.01 0.00 -0.50 0.00 0.00 59.98 59.45 3haz h ARG 688 Cb 1.54 0.04 -0.04 0.00 0.00 0.00 0.00 29.97 31.51 3haz h ARG 688 CO 0.13 -0.04 0.52 0.97 0.00 0.00 0.00 179.97 181.55 3haz h ILE 689 N -0.26 1.26 -0.72 2.04 6.09 -1.93 -0.33 117.51 123.66 3haz h ILE 689 Ca -0.02 -0.61 -0.02 0.00 -1.37 0.00 0.00 64.86 62.84 3haz h ILE 689 Cb 0.21 0.00 -0.03 0.00 0.47 0.00 0.00 36.82 37.47 3haz h ILE 689 CO 0.03 0.28 0.37 0.00 -3.07 0.00 0.00 178.15 175.76 3haz h ALA 690 N 1.30 0.92 -0.38 0.18 0.00 -1.58 0.13 119.26 119.84 3haz h ALA 690 Ca 0.32 -0.13 -0.12 0.00 0.00 0.00 0.00 54.91 54.98 3haz h ALA 690 Cb -0.00 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 3haz h ALA 690 CO -0.06 0.47 -0.26 -0.09 0.00 0.00 0.00 179.25 179.31 3haz h ARG 691 N 1.00 0.77 -0.59 0.00 2.43 -0.40 -0.28 114.38 117.31 3haz h ARG 691 Ca 0.25 -0.33 -0.05 0.00 -0.81 0.00 0.00 59.98 59.04 3haz h ARG 691 Cb 0.09 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.58 3haz h ARG 691 CO -0.03 0.95 0.17 0.93 -1.51 0.00 0.00 179.97 180.47 3haz h GLU 692 N 0.67 0.90 -0.32 0.20 4.39 -0.63 -1.73 114.58 118.06 3haz h GLU 692 Ca 0.09 -0.18 -0.09 0.00 0.34 0.00 0.00 59.36 59.52 3haz h GLU 692 Cb 0.78 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 29.28 3haz h GLU 692 CO 0.06 0.79 -0.15 0.00 -1.16 0.00 0.00 179.01 178.55 3haz h ALA 693 N 1.32 0.45 -0.69 3.43 0.00 -0.21 -1.70 119.26 121.84 3haz h ALA 693 Ca 0.19 -0.34 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 3haz h ALA 693 Cb 0.27 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 3haz h ALA 693 CO -0.01 0.35 0.29 0.28 0.00 0.00 0.00 179.25 180.17 3haz h VAL 694 N 0.43 1.24 -0.72 0.00 2.07 -0.96 -0.58 116.25 117.73 3haz h VAL 694 Ca 0.07 -0.74 0.03 0.00 0.82 0.00 0.00 66.70 66.88 3haz h VAL 694 Cb 0.68 0.43 -0.04 0.00 -1.52 0.00 0.00 31.29 30.84 3haz h VAL 694 CO 0.05 0.30 0.45 0.00 0.02 0.00 0.00 177.57 178.39 3haz h ALA 695 N 1.13 0.93 -0.59 1.67 0.00 -1.22 -0.90 119.26 120.29 3haz h ALA 695 Ca 0.23 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 55.05 3haz h ALA 695 Cb 0.19 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 3haz h ALA 695 CO -0.02 0.25 0.10 1.25 0.00 0.00 0.00 179.25 180.82 3haz h LEU 696 N 0.89 0.90 -0.49 0.00 6.46 -0.79 -1.53 115.31 120.76 3haz h LEU 696 Ca 0.28 -0.20 -0.07 0.00 -0.12 0.00 0.00 57.88 57.78 3haz h LEU 696 Cb -0.00 -0.24 -0.02 0.00 -0.73 0.00 0.00 40.66 39.67 3haz h LEU 696 CO -0.10 0.91 0.03 -0.07 -0.62 0.00 0.00 178.44 178.59 3haz h LEU 697 N 0.90 0.82 -0.19 2.25 3.38 -0.58 -0.42 115.31 121.47 3haz h LEU 697 Ca 0.18 -0.29 0.01 0.00 0.09 0.00 0.00 57.88 57.88 3haz h LEU 697 Cb 0.39 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 3haz h LEU 697 CO 0.01 0.91 0.08 0.45 0.09 0.00 0.00 178.44 179.97 3haz h HIS 698 N 0.71 0.14 0.00 1.13 3.86 -0.95 -1.59 115.15 118.46 3haz h HIS 698 Ca 0.14 0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.35 3haz h HIS 698 Cb 0.47 -0.04 -0.00 0.00 1.06 0.00 0.00 27.41 28.90 3haz h HIS 698 CO 0.03 0.08 -0.06 1.49 0.86 0.00 0.00 177.93 180.33 3haz h GLU 699 N 0.17 0.00 0.00 2.45 4.81 -1.06 -2.21 114.58 118.75 3haz h GLU 699 Ca 0.08 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.31 3haz h GLU 699 Cb 0.03 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.41 3haz h GLU 699 CO -0.07 0.06 -0.19 0.00 -0.73 0.00 0.00 179.01 178.08 3haz n ALA 700 N -2.39 2.56 0.00 2.92 0.00 -0.19 -4.90 120.51 118.52 3haz n ALA 700 Ca -0.03 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.29 3haz n ALA 700 Cb 0.14 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.22 3haz n ALA 700 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3haz n GLY 701 N 1.38 0.05 3.64 0.00 0.00 -0.83 -4.48 105.19 104.94 3haz n GLY 701 Ca 0.05 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.64 3haz n GLY 701 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3haz s ILE 702 N -0.88 4.33 0.48 -0.61 -1.09 -0.68 -4.96 121.20 117.78 3haz s ILE 702 Ca 0.00 1.53 -0.24 0.00 -2.23 0.00 0.00 60.65 59.71 3haz s ILE 702 Cb 0.00 -4.27 -0.08 0.00 -1.58 0.00 0.00 42.46 36.53 3haz s ILE 702 CO 0.00 -0.45 1.26 -2.65 -1.23 0.00 0.00 174.94 171.87 3haz n PRO 703 N 7.04 1.75 -0.16 2.79 -0.02 -1.26 -4.13 135.00 141.01 3haz n PRO 703 Ca 0.13 0.63 0.19 0.00 -2.02 0.00 0.00 63.50 62.44 3haz n PRO 703 Cb 0.47 -2.42 0.57 0.00 -0.02 0.00 0.00 33.50 32.10 3haz n PRO 703 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 3haz h LYS 704 N 1.72 0.27 0.00 -0.52 1.79 -1.92 -0.62 116.57 117.28 3haz h LYS 704 Ca -0.49 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 57.97 3haz h LYS 704 Cb 1.30 -0.06 0.00 0.00 -1.58 0.00 0.00 32.23 31.89 3haz h LYS 704 CO 0.58 0.18 0.00 -1.13 -1.08 0.00 0.00 179.45 178.00 3haz n SER 705 N -4.44 0.00 -0.00 0.86 3.41 -1.26 -3.25 113.62 108.94 3haz n SER 705 Ca 0.16 0.30 0.10 0.00 -0.26 0.00 0.00 58.87 59.16 3haz n SER 705 Cb 0.66 -0.43 -0.12 0.00 -0.26 0.00 0.00 64.21 64.07 3haz n SER 705 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3haz n ALA 706 N -1.43 4.52 -3.66 7.33 0.00 -0.24 -3.90 120.51 123.13 3haz n ALA 706 Ca 0.08 -0.56 -0.11 0.00 0.00 0.00 0.00 53.44 52.85 3haz n ALA 706 Cb 0.27 -0.73 -0.11 0.00 0.00 0.00 0.00 19.45 18.88 3haz n ALA 706 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3haz s LEU 707 N -3.03 -0.49 -0.03 0.00 2.96 -1.20 -0.51 118.68 116.38 3haz s LEU 707 Ca 0.07 0.80 0.04 0.00 -0.22 0.00 0.00 54.13 54.82 3haz s LEU 707 Cb 0.15 1.05 -0.00 0.00 0.50 0.00 0.00 46.19 47.89 3haz s LEU 707 CO 0.83 -0.24 -0.14 -0.31 -1.32 0.00 0.00 176.35 175.16 3haz s TYR 708 N 2.52 1.43 -0.18 5.38 1.51 -0.29 -4.82 117.35 122.90 3haz s TYR 708 Ca -0.00 -0.37 -0.14 0.00 -1.01 0.00 0.00 57.07 55.55 3haz s TYR 708 Cb -0.12 -0.97 -0.05 0.00 -0.11 0.00 0.00 41.96 40.71 3haz s TYR 708 CO -0.11 -0.12 0.29 -1.17 -1.11 0.00 0.00 175.55 173.33 3haz s LEU 709 N 0.01 4.20 -0.18 -1.29 2.96 -1.26 -0.78 118.68 122.34 3haz s LEU 709 Ca -0.02 0.44 0.01 0.00 -0.22 0.00 0.00 54.13 54.34 3haz s LEU 709 Cb -0.10 -2.35 0.03 0.00 0.50 0.00 0.00 46.19 44.28 3haz s LEU 709 CO 0.01 0.06 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.27 3haz s VAL 710 N 0.73 1.76 0.10 1.68 1.01 -0.14 -4.95 120.40 120.59 3haz s VAL 710 Ca 0.15 -0.93 0.02 0.00 0.00 0.00 0.00 61.98 61.22 3haz s VAL 710 Cb -0.13 -1.72 -0.04 0.00 0.00 0.00 0.00 36.38 34.49 3haz s VAL 710 CO 0.04 0.33 0.21 0.42 0.00 0.00 0.00 175.10 176.11 3haz s THR 711 N 1.38 5.19 -5.00 3.92 -4.23 -1.26 -4.08 115.64 111.55 3haz s THR 711 Ca 0.02 -0.59 0.00 0.00 -1.18 0.00 0.00 61.69 59.93 3haz s THR 711 Cb -0.15 -3.58 0.00 0.00 1.34 0.00 0.00 72.50 70.11 3haz s THR 711 CO -0.10 0.04 0.00 0.61 -0.54 0.00 0.00 174.62 174.63 3haz n GLY 712 N -0.02 -0.44 0.00 3.99 0.00 -1.26 -0.43 105.19 107.04 3haz n GLY 712 Ca -0.06 -1.42 0.00 0.00 0.00 0.00 0.00 46.02 44.53 3haz n GLY 712 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3haz n ASP 713 N 2.09 0.00 0.24 1.61 5.68 -1.26 -4.06 116.55 120.86 3haz n ASP 713 Ca 0.00 -0.45 0.17 0.00 -0.50 0.00 0.00 54.79 54.01 3haz n ASP 713 Cb 0.00 0.00 0.76 0.00 -1.14 0.00 0.00 41.12 40.74 3haz n ASP 713 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 3haz h GLY 714 N 0.00 0.00 1.42 6.12 0.00 -1.98 -2.04 103.07 106.59 3haz h GLY 714 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 47.11 3haz h GLY 714 CO 0.00 0.00 -0.86 0.07 0.00 0.00 0.00 176.54 175.75 3haz h ARG 715 N 0.00 0.55 -0.14 4.80 -0.00 -1.98 0.39 114.38 118.00 3haz h ARG 715 Ca 0.00 -0.51 -0.17 0.00 -0.00 0.00 0.00 59.98 59.30 3haz h ARG 715 Cb 0.28 0.13 -0.00 0.00 -0.00 0.00 0.00 29.97 30.37 3haz h ARG 715 CO 0.00 1.14 -0.62 0.82 -0.00 0.00 0.00 179.97 181.30 3haz h ILE 716 N 0.35 1.34 -0.91 0.08 1.08 -1.77 -0.88 117.51 116.80 3haz h ILE 716 Ca -0.07 -1.92 -0.02 0.00 -0.39 0.00 0.00 64.86 62.46 3haz h ILE 716 Cb 1.48 1.90 -0.04 0.00 -3.07 0.00 0.00 36.82 37.08 3haz h ILE 716 CO 0.16 0.59 0.50 1.23 -0.69 0.00 0.00 178.15 179.93 3haz h GLY 717 N 1.11 1.35 1.34 5.37 0.00 -1.34 -2.39 103.07 108.51 3haz h GLY 717 Ca -0.01 -0.61 -0.11 0.00 0.00 0.00 0.00 47.33 46.60 3haz h GLY 717 CO 0.11 0.59 -0.21 0.00 0.00 0.00 0.00 176.54 177.03 3haz h ALA 718 N 1.28 0.90 -0.03 3.60 0.00 -0.58 -2.30 119.26 122.12 3haz h ALA 718 Ca 0.32 -0.36 0.01 0.00 0.00 0.00 0.00 54.91 54.87 3haz h ALA 718 Cb 0.03 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3haz h ALA 718 CO -0.05 0.62 -0.02 0.00 0.00 0.00 0.00 179.25 179.80 3haz h ALA 719 N 1.09 0.01 -0.13 0.00 0.00 -0.91 -1.58 119.26 117.74 3haz h ALA 719 Ca 0.10 0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.05 3haz h ALA 719 Cb 0.71 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.52 3haz h ALA 719 CO 0.05 -0.51 -0.05 -0.07 0.00 0.00 0.00 179.25 178.67 3haz h LEU 720 N -0.02 -0.19 -1.28 0.00 3.38 -1.29 -2.51 115.31 113.40 3haz h LEU 720 Ca 0.02 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3haz h LEU 720 Cb 0.05 0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.91 3haz h LEU 720 CO -0.04 -0.07 0.00 0.71 0.09 0.00 0.00 178.44 179.12 3haz h THR 721 N -0.04 0.00 0.00 0.22 1.35 -1.33 -2.51 112.91 110.61 3haz h THR 721 Ca 0.07 -0.48 0.00 0.00 -0.55 0.00 0.00 66.41 65.45 3haz h THR 721 Cb 0.14 1.44 0.00 0.00 -1.73 0.00 0.00 68.15 68.00 3haz h THR 721 CO -0.16 0.00 -0.53 0.00 -0.25 0.00 0.00 175.52 174.58 3haz h ALA 722 N 2.05 0.69 -2.43 6.62 0.00 -0.88 -3.42 119.26 121.89 3haz h ALA 722 Ca 0.00 0.00 -0.54 0.00 0.00 0.00 0.00 54.91 54.37 3haz h ALA 722 Cb 0.51 0.00 0.04 0.00 0.00 0.00 0.00 17.79 18.34 3haz h ALA 722 CO 0.00 0.00 1.07 1.58 0.00 0.00 0.00 179.25 181.90 3haz n HIS 723 N -2.43 2.56 0.27 0.00 -0.00 -0.95 -4.87 115.22 109.81 3haz n HIS 723 Ca 0.03 -0.08 0.11 0.00 -0.00 0.00 0.00 57.72 57.78 3haz n HIS 723 Cb 0.48 -2.70 0.50 0.00 -0.00 0.00 0.00 29.99 28.27 3haz n HIS 723 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.34 175.99 3haz n PRO 724 N 5.38 0.15 0.00 1.57 -0.04 -1.26 -3.10 135.00 137.70 3haz n PRO 724 Ca 0.18 0.52 0.12 0.00 -0.04 0.00 0.00 63.50 64.28 3haz n PRO 724 Cb 0.35 -1.87 0.12 0.00 -0.04 0.00 0.00 33.50 32.06 3haz n PRO 724 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3haz n ASP 725 N -2.17 1.37 -4.83 3.54 8.00 -1.26 -4.96 116.55 116.24 3haz n ASP 725 Ca 0.00 -1.09 -0.32 0.00 0.71 0.00 0.00 54.79 54.10 3haz n ASP 725 Cb 0.12 0.44 0.01 0.00 -0.02 0.00 0.00 41.12 41.67 3haz n ASP 725 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 3haz s ILE 726 N -2.64 4.17 -0.63 0.53 -4.36 -1.18 -4.65 121.20 112.44 3haz s ILE 726 Ca 0.18 0.90 0.10 0.00 -0.26 0.00 0.00 60.65 61.57 3haz s ILE 726 Cb 0.18 -3.54 -0.08 0.00 1.25 0.00 0.00 42.46 40.27 3haz s ILE 726 CO 0.62 -0.73 0.50 0.00 0.24 0.00 0.00 174.94 175.57 3haz n ALA 727 N -2.30 3.21 0.00 2.27 0.00 0.88 -4.89 120.51 119.67 3haz n ALA 727 Ca 0.07 -0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.18 3haz n ALA 727 Cb 0.53 -0.37 0.00 0.00 0.00 0.00 0.00 19.45 19.61 3haz n ALA 727 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3haz n GLY 728 N 1.15 0.52 2.88 0.00 0.00 -1.20 -4.09 105.19 104.47 3haz n GLY 728 Ca 0.03 -0.78 -0.20 0.00 0.00 0.00 0.00 46.02 45.07 3haz n GLY 728 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3haz s VAL 729 N -2.00 0.51 -0.19 1.61 1.01 -0.73 -1.54 120.40 119.06 3haz s VAL 729 Ca 0.00 -0.10 -0.02 0.00 0.00 0.00 0.00 61.98 61.86 3haz s VAL 729 Cb 0.00 -0.54 -0.00 0.00 0.00 0.00 0.00 36.38 35.84 3haz s VAL 729 CO 0.00 0.22 -0.09 0.54 0.00 0.00 0.00 175.10 175.76 3haz s VAL 730 N 0.94 3.04 -0.01 2.92 0.11 -0.51 -0.97 120.40 125.92 3haz s VAL 730 Ca -0.11 -0.62 0.02 0.00 -2.93 0.00 0.00 61.98 58.34 3haz s VAL 730 Cb -0.14 -2.34 -0.00 0.00 -1.53 0.00 0.00 36.38 32.37 3haz s VAL 730 CO -0.00 0.47 -0.07 0.12 -3.33 0.00 0.00 175.10 172.29 3haz s PHE 731 N 1.17 0.64 -0.08 1.54 5.36 0.12 -1.13 117.98 125.60 3haz s PHE 731 Ca 0.02 -0.13 -0.01 0.00 -0.96 0.00 0.00 56.93 55.85 3haz s PHE 731 Cb -0.14 -0.43 0.03 0.00 -0.34 0.00 0.00 43.02 42.13 3haz s PHE 731 CO -0.03 -0.03 -0.02 0.99 -1.46 0.00 0.00 175.22 174.67 3haz s THR 732 N -0.03 0.51 -2.69 0.12 2.01 -0.78 -1.08 115.64 113.70 3haz s THR 732 Ca 0.01 0.03 0.00 0.00 0.31 0.00 0.00 61.69 62.04 3haz s THR 732 Cb -0.04 -0.64 0.00 0.00 0.01 0.00 0.00 72.50 71.83 3haz s THR 732 CO -0.00 0.28 0.00 0.61 -0.69 0.00 0.00 174.62 174.82 3haz n GLY 733 N 5.08 -0.60 3.75 4.40 0.00 -0.81 -3.25 105.19 113.75 3haz n GLY 733 Ca -0.09 -0.65 -0.40 0.00 0.00 0.00 0.00 46.02 44.88 3haz n GLY 733 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3haz s SER 734 N -4.00 7.27 0.34 1.61 1.04 -1.26 -3.99 113.70 114.70 3haz s SER 734 Ca 0.00 2.24 0.13 0.00 0.48 0.00 0.00 55.95 58.79 3haz s SER 734 Cb 0.00 -2.62 0.97 0.00 0.10 0.00 0.00 66.02 64.47 3haz s SER 734 CO 0.00 -0.16 1.73 0.74 0.98 0.00 0.00 173.24 176.53 3haz h THR 735 N 3.23 0.49 -0.59 2.02 2.02 -1.91 -0.84 112.91 117.33 3haz h THR 735 Ca -0.46 -0.17 -0.06 0.00 0.77 0.00 0.00 66.41 66.49 3haz h THR 735 Cb 1.21 -0.05 -0.02 0.00 -1.74 0.00 0.00 68.15 67.55 3haz h THR 735 CO 0.68 0.09 0.14 -0.33 0.37 0.00 0.00 175.52 176.48 3haz h GLU 736 N 0.50 0.94 -0.14 6.66 3.07 -1.96 -2.73 114.58 120.92 3haz h GLU 736 Ca 0.65 -0.23 -0.17 0.00 -0.50 0.00 0.00 59.36 59.12 3haz h GLU 736 Cb 1.38 -0.12 -0.01 0.00 -0.84 0.00 0.00 28.75 29.16 3haz h GLU 736 CO -0.45 0.87 -0.61 0.28 -1.40 0.00 0.00 179.01 177.69 3haz h VAL 737 N 0.85 1.34 -0.58 3.13 2.07 -1.56 -2.98 116.25 118.52 3haz h VAL 737 Ca 0.18 -1.91 0.09 0.00 0.82 0.00 0.00 66.70 65.89 3haz h VAL 737 Cb 0.35 1.89 -0.07 0.00 -1.52 0.00 0.00 31.29 31.94 3haz h VAL 737 CO 0.00 0.59 0.19 0.00 0.02 0.00 0.00 177.57 178.37 3haz h ALA 738 N 0.97 0.73 -0.68 1.67 0.00 -1.19 -0.96 119.26 119.80 3haz h ALA 738 Ca -0.01 0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 3haz h ALA 738 Cb 1.16 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 19.00 3haz h ALA 738 CO 0.11 -0.23 0.30 0.00 0.00 0.00 0.00 179.25 179.44 3haz h ARG 739 N 0.36 0.99 -0.49 0.00 3.08 -1.39 0.22 114.38 117.15 3haz h ARG 739 Ca 0.29 -0.16 -0.04 0.00 0.07 0.00 0.00 59.98 60.14 3haz h ARG 739 Cb 0.37 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.23 3haz h ARG 739 CO -0.32 0.80 0.14 0.66 -1.07 0.00 0.00 179.97 180.19 3haz h SER 740 N 0.95 0.73 -0.35 7.04 4.64 -1.30 0.65 113.55 125.91 3haz h SER 740 Ca 0.23 -0.22 0.02 0.00 -0.47 0.00 0.00 61.79 61.35 3haz h SER 740 Cb 0.16 -0.19 -0.03 0.00 -0.31 0.00 0.00 62.40 62.03 3haz h SER 740 CO -0.02 0.75 0.20 0.40 -0.87 0.00 0.00 176.83 177.28 3haz h ILE 741 N 0.67 1.02 -0.97 0.95 2.04 -0.91 -0.24 117.51 120.07 3haz h ILE 741 Ca 0.16 -0.14 0.06 0.00 1.00 0.00 0.00 64.86 65.95 3haz h ILE 741 Cb 0.29 0.58 -0.06 0.00 -0.74 0.00 0.00 36.82 36.89 3haz h ILE 741 CO -0.00 0.07 0.63 -1.13 0.00 0.00 0.00 178.15 177.72 3haz h ASN 742 N 0.40 0.99 -0.25 1.72 -1.24 -0.17 -0.68 115.58 116.35 3haz h ASN 742 Ca 0.14 0.01 -0.16 0.00 0.71 0.00 0.00 56.30 57.00 3haz h ASN 742 Cb 0.02 -0.20 -0.00 0.00 0.73 0.00 0.00 38.32 38.86 3haz h ASN 742 CO -0.08 0.63 -0.46 0.03 -1.29 0.00 0.00 177.43 176.27 3haz h ARG 743 N 1.12 0.82 -0.63 6.67 3.08 -0.44 -1.19 114.38 123.81 3haz h ARG 743 Ca 0.42 -0.47 -0.04 0.00 0.07 0.00 0.00 59.98 59.96 3haz h ARG 743 Cb 0.18 0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.23 3haz h ARG 743 CO -0.16 1.10 0.23 0.00 -1.07 0.00 0.00 179.97 180.07 3haz h ALA 744 N 0.82 0.82 -0.05 0.04 0.00 -0.55 -1.25 119.26 119.10 3haz h ALA 744 Ca 0.04 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 3haz h ALA 744 Cb 1.04 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.58 3haz h ALA 744 CO 0.10 0.46 0.02 -0.07 0.00 0.00 0.00 179.25 179.76 3haz h LEU 745 N 0.89 0.06 -1.80 0.00 3.38 -1.03 -3.03 115.31 113.78 3haz h LEU 745 Ca 0.21 -0.13 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 3haz h LEU 745 Cb 0.23 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 3haz h LEU 745 CO -0.01 0.17 0.09 0.00 0.09 0.00 0.00 178.44 178.77 3haz h ALA 746 N 0.89 1.85 0.00 1.53 0.00 -1.02 -2.52 119.26 119.99 3haz h ALA 746 Ca 0.02 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 3haz h ALA 746 Cb 0.13 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3haz h ALA 746 CO -0.00 0.13 -0.27 0.00 0.00 0.00 0.00 179.25 179.11 3haz h ALA 747 N 1.88 1.38 -2.72 0.00 0.00 -1.10 -3.45 119.26 115.25 3haz h ALA 747 Ca 0.06 -0.24 -0.53 0.00 0.00 0.00 0.00 54.91 54.20 3haz h ALA 747 Cb 0.01 -0.04 0.12 0.00 0.00 0.00 0.00 17.79 17.88 3haz h ALA 747 CO -0.01 0.33 0.43 0.15 0.00 0.00 0.00 179.25 180.15 3haz s LYS 748 N -4.22 2.70 0.03 0.00 1.02 -0.95 -4.93 119.74 113.38 3haz s LYS 748 Ca -0.03 1.73 0.26 0.00 0.02 0.00 0.00 55.97 57.95 3haz s LYS 748 Cb 0.14 -1.91 0.71 0.00 -0.52 0.00 0.00 37.83 36.25 3haz s LYS 748 CO 0.68 -1.40 1.57 -0.25 -0.92 0.00 0.00 175.35 175.03 3haz n ASP 749 N -2.07 0.41 -3.21 2.83 8.00 -1.26 -4.91 116.55 116.33 3haz n ASP 749 Ca 0.13 0.08 0.00 0.00 0.71 0.00 0.00 54.79 55.71 3haz n ASP 749 Cb 0.50 -0.04 0.00 0.00 -0.02 0.00 0.00 41.12 41.56 3haz n ASP 749 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3haz n GLY 750 N 1.46 -1.09 3.77 0.44 0.00 -1.26 -4.98 105.19 103.53 3haz n GLY 750 Ca 0.06 -1.51 -0.40 0.00 0.00 0.00 0.00 46.02 44.17 3haz n GLY 750 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3haz s PRO 751 N 0.00 3.90 -0.26 1.61 0.02 -1.26 -4.96 135.00 134.05 3haz s PRO 751 Ca 0.00 2.33 -0.29 0.00 0.02 0.00 0.00 61.00 63.06 3haz s PRO 751 Cb 0.00 -2.77 -0.01 0.00 0.02 0.00 0.00 34.50 31.74 3haz s PRO 751 CO 0.00 -0.61 1.45 0.42 -0.33 0.00 0.00 177.00 177.93 3haz s ILE 752 N -1.21 3.93 0.28 2.83 1.01 -1.26 -5.01 121.20 121.77 3haz s ILE 752 Ca 0.57 1.04 0.06 0.00 0.00 0.00 0.00 60.65 62.33 3haz s ILE 752 Cb -0.42 -3.95 -0.02 0.00 0.01 0.00 0.00 42.46 38.08 3haz s ILE 752 CO 0.54 -0.39 0.35 0.68 0.00 0.00 0.00 174.94 176.12 3haz s VAL 753 N 4.78 4.59 0.35 2.92 -7.23 -1.26 -5.08 120.40 119.46 3haz s VAL 753 Ca 0.63 -1.11 -0.27 0.00 -1.81 0.00 0.00 61.98 59.42 3haz s VAL 753 Cb -0.20 -3.58 -0.09 0.00 0.56 0.00 0.00 36.38 33.07 3haz s VAL 753 CO 0.26 -0.27 1.19 -2.84 -0.31 0.00 0.00 175.10 173.14 3haz s PRO 754 N -4.01 4.30 -0.18 4.82 0.02 -1.26 -4.94 135.00 133.76 3haz s PRO 754 Ca 0.38 1.95 0.01 0.00 0.02 0.00 0.00 61.00 63.35 3haz s PRO 754 Cb -0.09 -2.93 0.03 0.00 0.02 0.00 0.00 34.50 31.53 3haz s PRO 754 CO 0.29 -0.14 -0.14 -1.17 -0.33 0.00 0.00 177.00 175.51 3haz s LEU 755 N -2.00 2.08 -0.29 -5.54 2.96 -1.26 -1.77 118.68 112.86 3haz s LEU 755 Ca 0.51 -0.71 -0.09 0.00 -0.22 0.00 0.00 54.13 53.62 3haz s LEU 755 Cb -0.34 -1.28 -0.02 0.00 0.50 0.00 0.00 46.19 45.06 3haz s LEU 755 CO 0.44 -0.08 0.13 -0.63 -1.32 0.00 0.00 176.35 174.88 3haz s ILE 756 N 1.39 4.59 -0.14 6.68 1.01 -0.14 -4.92 121.20 129.66 3haz s ILE 756 Ca 0.02 -0.28 -0.02 0.00 0.00 0.00 0.00 60.65 60.37 3haz s ILE 756 Cb -0.14 -3.26 0.04 0.00 0.01 0.00 0.00 42.46 39.11 3haz s ILE 756 CO -0.10 0.17 0.01 0.00 0.00 0.00 0.00 174.94 175.02 3haz s ALA 757 N 1.63 0.97 -0.24 9.38 0.00 -1.26 0.16 121.76 132.40 3haz s ALA 757 Ca 0.05 -0.50 -0.08 0.00 0.00 0.00 0.00 51.96 51.43 3haz s ALA 757 Cb -0.16 -1.01 -0.03 0.00 0.00 0.00 0.00 23.12 21.92 3haz s ALA 757 CO 0.06 -0.84 0.08 -1.21 0.00 0.00 0.00 175.76 173.85 3haz s GLU 758 N 1.87 3.76 0.00 0.00 0.41 -0.24 -1.44 118.70 123.05 3haz s GLU 758 Ca 0.02 -0.43 0.00 0.00 -0.41 0.00 0.00 54.97 54.15 3haz s GLU 758 Cb -0.15 -3.34 0.00 0.00 -1.78 0.00 0.00 34.13 28.86 3haz s GLU 758 CO -0.07 -0.09 0.00 0.25 -0.49 0.00 0.00 175.26 174.86 3haz n THR 759 N 4.64 0.00 -0.64 3.63 -2.24 0.15 -1.93 114.28 117.89 3haz n THR 759 Ca -0.16 0.00 -0.00 0.00 -2.27 0.00 0.00 64.05 61.62 3haz n THR 759 Cb 0.52 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.75 3haz n THR 759 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3haz n GLY 760 N 3.75 -2.10 3.46 3.38 0.00 -1.26 -4.78 105.19 107.65 3haz n GLY 760 Ca 0.00 -1.51 -0.11 0.00 0.00 0.00 0.00 46.02 44.41 3haz n GLY 760 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3haz s GLY 761 N -2.66 -0.55 -0.71 -0.02 0.00 -1.26 -4.16 107.32 97.95 3haz s GLY 761 Ca 0.01 0.62 0.04 0.00 0.00 0.00 0.00 44.72 45.39 3haz s GLY 761 CO 0.01 0.20 0.51 -0.42 0.00 0.00 0.00 173.10 173.40 3haz s ILE 762 N -3.55 3.11 0.07 0.90 1.01 -1.26 -4.60 121.20 116.87 3haz s ILE 762 Ca 0.03 -4.09 -0.29 0.00 0.00 0.00 0.00 60.65 56.30 3haz s ILE 762 Cb -0.01 -3.03 -0.05 0.00 0.01 0.00 0.00 42.46 39.38 3haz s ILE 762 CO -0.11 -0.99 0.93 0.20 0.00 0.00 0.00 174.94 174.97 3haz s ASN 763 N -1.08 7.41 0.26 3.58 0.01 -1.26 -4.84 114.94 119.01 3haz s ASN 763 Ca 0.24 1.70 0.08 0.00 -0.71 0.00 0.00 52.86 54.17 3haz s ASN 763 Cb -0.08 -2.56 -0.04 0.00 0.41 0.00 0.00 41.25 38.98 3haz s ASN 763 CO -0.14 -0.11 0.14 0.00 -1.51 0.00 0.00 177.10 175.48 3haz s ALA 764 N 0.27 3.47 -0.02 0.60 0.00 -1.24 -0.80 121.76 124.04 3haz s ALA 764 Ca 0.47 -1.50 0.03 0.00 0.00 0.00 0.00 51.96 50.95 3haz s ALA 764 Cb -0.22 -1.13 -0.00 0.00 0.00 0.00 0.00 23.12 21.76 3haz s ALA 764 CO 0.28 0.25 -0.09 1.41 0.00 0.00 0.00 175.76 177.61 3haz s MET 765 N -3.80 0.85 -0.21 0.00 1.75 0.39 -1.25 119.30 117.02 3haz s MET 765 Ca 0.33 -0.31 -0.03 0.00 -1.25 0.00 0.00 55.69 54.43 3haz s MET 765 Cb -0.07 -0.80 -0.00 0.00 2.84 0.00 0.00 34.83 36.79 3haz s MET 765 CO 0.23 0.15 -0.08 0.42 -0.65 0.00 0.00 175.02 175.09 3haz s ILE 766 N 0.01 3.06 -0.15 10.11 1.01 -0.03 0.22 121.20 135.43 3haz s ILE 766 Ca 0.00 -0.60 0.01 0.00 0.00 0.00 0.00 60.65 60.06 3haz s ILE 766 Cb -0.06 -2.37 0.02 0.00 0.01 0.00 0.00 42.46 40.06 3haz s ILE 766 CO 0.00 0.45 -0.16 0.00 0.00 0.00 0.00 174.94 175.23 3haz s ALA 767 N 1.39 1.95 0.51 9.38 0.00 0.03 -0.42 121.76 134.61 3haz s ALA 767 Ca 0.05 -0.95 0.06 0.00 0.00 0.00 0.00 51.96 51.12 3haz s ALA 767 Cb -0.14 -1.03 0.09 0.00 0.00 0.00 0.00 23.12 22.04 3haz s ALA 767 CO -0.05 -0.29 0.68 -0.40 0.00 0.00 0.00 175.76 175.70 3haz n ASP 768 N 4.58 1.56 0.00 0.00 5.68 -0.94 -1.91 116.55 125.52 3haz n ASP 768 Ca -0.18 -2.17 0.12 0.00 -0.50 0.00 0.00 54.79 52.06 3haz n ASP 768 Cb 0.50 -0.38 0.58 0.00 -1.14 0.00 0.00 41.12 40.68 3haz n ASP 768 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3haz n ALA 769 N -2.57 2.19 1.09 2.12 0.00 -1.26 -2.18 120.51 119.90 3haz n ALA 769 Ca -0.11 -0.11 0.13 0.00 0.00 0.00 0.00 53.44 53.34 3haz n ALA 769 Cb 0.48 -1.39 0.35 0.00 0.00 0.00 0.00 19.45 18.89 3haz n ALA 769 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3haz n THR 770 N -1.33 0.00 -2.40 0.00 -2.24 -1.26 -3.75 114.28 103.30 3haz n THR 770 Ca 0.10 -0.03 -0.38 0.00 -2.27 0.00 0.00 64.05 61.47 3haz n THR 770 Cb 0.21 0.18 -0.03 0.00 -2.10 0.00 0.00 70.33 68.59 3haz n THR 770 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3haz s ALA 771 N -2.84 3.18 -0.23 6.98 0.00 -0.93 -4.24 121.76 123.68 3haz s ALA 771 Ca 0.16 0.88 -0.29 0.00 0.00 0.00 0.00 51.96 52.70 3haz s ALA 771 Cb 0.18 -3.34 -0.02 0.00 0.00 0.00 0.00 23.12 19.95 3haz s ALA 771 CO 0.62 -0.37 1.50 -1.17 0.00 0.00 0.00 175.76 176.34 3haz s LEU 772 N -2.34 3.94 0.34 0.00 2.96 -1.26 -4.92 118.68 117.41 3haz s LEU 772 Ca 0.55 1.55 0.05 0.00 -0.22 0.00 0.00 54.13 56.05 3haz s LEU 772 Cb -0.28 -3.53 0.69 0.00 0.50 0.00 0.00 46.19 43.56 3haz s LEU 772 CO 0.36 -1.14 1.93 -0.65 -1.32 0.00 0.00 176.35 175.53 3haz h PRO 773 N 10.01 0.80 -0.33 0.98 0.11 -1.96 0.03 132.00 141.64 3haz h PRO 773 Ca -0.31 -0.05 -0.06 0.00 0.11 0.00 0.00 66.00 65.70 3haz h PRO 773 Cb 1.13 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 32.05 3haz h PRO 773 CO 1.00 0.53 -0.03 0.93 -0.21 0.00 0.00 178.00 180.23 3haz h GLU 774 N 0.83 0.52 0.24 1.05 3.07 -1.96 0.13 114.58 118.45 3haz h GLU 774 Ca 0.35 -0.12 -0.31 0.00 -0.50 0.00 0.00 59.36 58.78 3haz h GLU 774 Cb 0.31 -0.07 0.04 0.00 -0.84 0.00 0.00 28.75 28.18 3haz h GLU 774 CO -0.13 0.57 -1.36 0.37 -1.40 0.00 0.00 179.01 177.06 3haz h GLN 775 N 0.50 0.50 -0.58 2.33 5.75 -1.65 -2.08 115.11 119.88 3haz h GLN 775 Ca 0.10 -0.86 0.06 0.00 -0.15 0.00 0.00 58.65 57.81 3haz h GLN 775 Cb 0.37 0.32 -0.05 0.00 1.07 0.00 0.00 27.48 29.19 3haz h GLN 775 CO 0.01 1.41 0.29 0.28 -2.65 0.00 0.00 178.83 178.17 3haz h VAL 776 N 0.05 0.91 -0.24 2.39 2.07 -0.85 -0.81 116.25 119.77 3haz h VAL 776 Ca -0.24 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 67.10 3haz h VAL 776 Cb 2.08 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 32.17 3haz h VAL 776 CO 0.26 0.10 0.16 0.00 0.02 0.00 0.00 177.57 178.10 3haz h ALA 777 N 1.33 0.31 -0.07 1.67 0.00 -0.73 0.74 119.26 122.52 3haz h ALA 777 Ca 0.27 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.17 3haz h ALA 777 Cb 0.21 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 3haz h ALA 777 CO -0.20 -0.20 -0.05 -0.44 0.00 0.00 0.00 179.25 178.35 3haz h ASP 778 N 0.32 -0.16 0.62 0.00 3.32 -1.07 -1.18 116.42 118.27 3haz h ASP 778 Ca 0.09 0.04 -0.09 0.00 0.02 0.00 0.00 57.03 57.08 3haz h ASP 778 Cb -0.02 0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.60 3haz h ASP 778 CO -0.02 -0.07 -0.44 0.44 -1.72 0.00 0.00 179.24 177.43 3haz h ASP 779 N -0.06 0.00 0.01 6.45 3.32 -0.92 -1.35 116.42 123.86 3haz h ASP 779 Ca 0.05 0.00 -0.22 0.00 0.02 0.00 0.00 57.03 56.88 3haz h ASP 779 Cb 0.13 0.00 0.02 0.00 0.22 0.00 0.00 39.33 39.70 3haz h ASP 779 CO -0.11 0.44 -0.85 0.58 -1.72 0.00 0.00 179.24 177.58 3haz h VAL 780 N 0.00 1.35 -0.41 -1.35 2.07 -0.72 -1.79 116.25 115.39 3haz h VAL 780 Ca -0.00 -2.18 -0.07 0.00 0.82 0.00 0.00 66.70 65.27 3haz h VAL 780 Cb 0.87 2.50 -0.01 0.00 -1.52 0.00 0.00 31.29 33.13 3haz h VAL 780 CO 0.06 0.66 -0.01 0.58 0.02 0.00 0.00 177.57 178.88 3haz h VAL 781 N 0.15 1.26 0.40 2.57 2.07 -1.01 -0.17 116.25 121.52 3haz h VAL 781 Ca -0.11 -1.03 -0.02 0.00 0.82 0.00 0.00 66.70 66.36 3haz h VAL 781 Cb 1.53 1.11 0.00 0.00 -1.52 0.00 0.00 31.29 32.41 3haz h VAL 781 CO 0.17 0.35 -0.19 0.74 0.02 0.00 0.00 177.57 178.66 3haz h THR 782 N 0.57 0.61 -0.38 2.57 2.02 -1.35 -1.87 112.91 115.08 3haz h THR 782 Ca 0.12 -0.16 -0.03 0.00 0.77 0.00 0.00 66.41 67.10 3haz h THR 782 Cb 0.49 0.70 -0.02 0.00 -1.74 0.00 0.00 68.15 67.58 3haz h THR 782 CO 0.02 0.03 0.12 0.28 0.37 0.00 0.00 175.52 176.34 3haz h SER 783 N -0.63 0.50 0.31 4.18 0.02 -1.21 -1.81 113.55 114.91 3haz h SER 783 Ca -0.05 -0.06 -0.32 0.00 -0.84 0.00 0.00 61.79 60.51 3haz h SER 783 Cb 0.46 -0.13 -0.05 0.00 0.14 0.00 0.00 62.40 62.82 3haz h SER 783 CO 0.09 0.48 -1.93 0.00 -1.14 0.00 0.00 176.83 174.33 3haz n ALA 784 N -2.47 1.39 0.02 3.77 0.00 -0.09 -1.18 120.51 121.95 3haz n ALA 784 Ca 0.02 -0.87 0.02 0.00 0.00 0.00 0.00 53.44 52.61 3haz n ALA 784 Cb 0.17 -0.65 -0.02 0.00 0.00 0.00 0.00 19.45 18.94 3haz n ALA 784 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3haz n PHE 785 N -3.07 0.00 -1.68 0.00 3.72 -0.71 -3.66 117.46 112.07 3haz n PHE 785 Ca -0.24 0.00 -0.44 0.00 -0.05 0.00 0.00 57.45 56.72 3haz n PHE 785 Cb 1.07 -0.07 -0.02 0.00 -0.94 0.00 0.00 39.48 39.52 3haz n PHE 785 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 176.76 174.58 3haz n ARG 786 N -1.54 2.06 -2.51 -1.08 3.00 -0.68 -1.18 116.66 114.72 3haz n ARG 786 Ca -0.00 0.73 -0.21 0.00 -0.00 0.00 0.00 57.85 58.37 3haz n ARG 786 Cb 0.08 -2.36 -0.00 0.00 0.00 0.00 0.00 32.46 30.18 3haz n ARG 786 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 3haz n SER 787 N 1.77 -5.86 -2.95 6.15 7.64 -1.26 -1.55 113.62 117.56 3haz n SER 787 Ca 0.10 -0.07 -0.19 0.00 1.01 0.00 0.00 58.87 59.71 3haz n SER 787 Cb 0.33 -4.83 0.00 0.00 -1.01 0.00 0.00 64.21 58.70 3haz n SER 787 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3haz n ALA 788 N -2.31 -0.93 -1.60 -0.43 0.00 -0.32 -0.69 120.51 114.23 3haz n ALA 788 Ca -0.22 0.14 -0.16 0.00 0.00 0.00 0.00 53.44 53.20 3haz n ALA 788 Cb 0.67 -2.59 -0.06 0.00 0.00 0.00 0.00 19.45 17.47 3haz n ALA 788 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3haz n GLY 789 N -1.13 1.31 2.34 0.00 0.00 -0.60 -1.85 105.19 105.27 3haz n GLY 789 Ca -0.09 -0.25 -0.29 0.00 0.00 0.00 0.00 46.02 45.39 3haz n GLY 789 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3haz n GLN 790 N -2.53 2.39 -4.93 1.61 6.02 0.14 -3.36 117.38 116.71 3haz n GLN 790 Ca -0.17 -2.64 -0.30 0.00 -0.01 0.00 0.00 57.00 53.88 3haz n GLN 790 Cb 0.55 -2.06 -0.15 0.00 1.02 0.00 0.00 30.24 29.60 3haz n GLN 790 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 3haz s ARG 791 N -2.88 1.81 0.47 -1.09 0.52 -1.26 -4.86 118.95 111.66 3haz s ARG 791 Ca 0.52 -1.08 0.26 0.00 -0.52 0.00 0.00 55.73 54.91 3haz s ARG 791 Cb 0.40 -1.95 1.05 0.00 0.52 0.00 0.00 34.95 34.96 3haz s ARG 791 CO -0.12 0.51 1.87 0.00 0.02 0.00 0.00 175.30 177.58 3haz n SER 793 N -3.32 0.32 -4.73 0.00 3.41 -1.26 -4.45 113.62 103.59 3haz n SER 793 Ca 0.00 -0.35 -0.40 0.00 -0.26 0.00 0.00 58.87 57.85 3haz n SER 793 Cb 0.39 -0.14 0.02 0.00 -0.26 0.00 0.00 64.21 64.22 3haz n SER 793 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3haz n ALA 794 N -1.12 1.61 -2.04 7.33 0.00 -0.95 -4.72 120.51 120.63 3haz n ALA 794 Ca 0.13 0.24 -0.42 0.00 0.00 0.00 0.00 53.44 53.39 3haz n ALA 794 Cb 0.28 -2.32 -0.03 0.00 0.00 0.00 0.00 19.45 17.38 3haz n ALA 794 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3haz s LEU 795 N -2.23 4.33 -0.08 0.00 2.96 -0.33 -4.33 118.68 119.02 3haz s LEU 795 Ca 0.62 2.29 0.10 0.00 -0.22 0.00 0.00 54.13 56.92 3haz s LEU 795 Cb -0.47 -3.55 -0.14 0.00 0.50 0.00 0.00 46.19 42.53 3haz s LEU 795 CO 0.57 -0.86 0.09 0.54 -1.32 0.00 0.00 176.35 175.37 3haz n ARG 796 N 6.13 1.77 -3.64 1.98 5.12 0.02 -4.33 116.66 123.72 3haz n ARG 796 Ca 0.16 -0.03 -0.25 0.00 -1.93 0.00 0.00 57.85 55.79 3haz n ARG 796 Cb 0.42 -1.26 -0.17 0.00 -1.16 0.00 0.00 32.46 30.29 3haz n ARG 796 CO 0.00 0.00 0.00 -1.17 -1.93 0.00 0.00 177.63 174.53 3haz s LEU 797 N -4.48 0.45 -0.24 0.55 2.96 -0.44 -1.35 118.68 116.13 3haz s LEU 797 Ca -0.05 -0.53 -0.13 0.00 -0.22 0.00 0.00 54.13 53.21 3haz s LEU 797 Cb 0.04 -0.29 -0.05 0.00 0.50 0.00 0.00 46.19 46.40 3haz s LEU 797 CO 0.43 -0.32 0.26 -0.22 -1.32 0.00 0.00 176.35 175.17 3haz s LEU 798 N 2.09 4.09 -0.25 -0.68 2.96 0.90 -0.46 118.68 127.33 3haz s LEU 798 Ca 0.02 0.21 -0.11 0.00 -0.22 0.00 0.00 54.13 54.03 3haz s LEU 798 Cb -0.15 -2.26 -0.05 0.00 0.50 0.00 0.00 46.19 44.23 3haz s LEU 798 CO -0.08 -0.03 0.17 -0.36 -1.32 0.00 0.00 176.35 174.73 3haz s PHE 799 N 1.43 3.30 -0.03 5.38 0.08 0.13 -0.22 117.98 128.05 3haz s PHE 799 Ca 0.11 0.21 0.02 0.00 0.12 0.00 0.00 56.93 57.40 3haz s PHE 799 Cb -0.15 -2.29 0.01 0.00 -0.57 0.00 0.00 43.02 40.02 3haz s PHE 799 CO 0.07 0.03 -0.10 0.54 -0.10 0.00 0.00 175.22 175.67 3haz s VAL 800 N 1.18 0.86 0.39 -0.44 0.11 -0.80 -0.79 120.40 120.91 3haz s VAL 800 Ca 0.08 -0.38 -0.27 0.00 -2.93 0.00 0.00 61.98 58.47 3haz s VAL 800 Cb -0.14 -0.77 -0.09 0.00 -1.53 0.00 0.00 36.38 33.84 3haz s VAL 800 CO 0.06 0.27 1.37 -1.10 -3.33 0.00 0.00 175.10 172.36 3haz s GLN 801 N 0.31 4.02 0.37 1.54 -0.21 -0.80 -1.47 119.66 123.42 3haz s GLN 801 Ca -0.05 2.31 0.06 0.00 0.02 0.00 0.00 55.36 57.69 3haz s GLN 801 Cb -0.10 -2.85 0.75 0.00 1.00 0.00 0.00 33.01 31.81 3haz s GLN 801 CO 0.01 -0.50 1.99 1.05 -2.12 0.00 0.00 175.29 175.72 3haz h GLU 802 N 2.82 0.71 0.00 2.91 4.11 -0.93 -1.85 114.58 122.35 3haz h GLU 802 Ca -0.50 -0.04 -0.00 0.00 0.07 0.00 0.00 59.36 58.88 3haz h GLU 802 Cb 1.24 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 30.33 3haz h GLU 802 CO 0.63 0.47 -0.02 -0.44 0.07 0.00 0.00 179.01 179.72 3haz h ASP 803 N 0.73 0.00 0.00 3.06 3.32 -1.90 -2.64 116.42 118.99 3haz h ASP 803 Ca 0.26 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.31 3haz h ASP 803 Cb 0.13 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.68 3haz h ASP 803 CO -0.08 0.02 0.00 1.33 -1.72 0.00 0.00 179.24 178.79 3haz n VAL 804 N -3.28 0.87 -0.15 -1.35 0.24 -0.75 -4.76 118.33 109.15 3haz n VAL 804 Ca -0.02 -0.88 -0.10 0.00 -2.04 0.00 0.00 64.34 61.29 3haz n VAL 804 Cb 0.14 0.57 -0.01 0.00 -1.47 0.00 0.00 33.84 33.07 3haz n VAL 804 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3haz h ALA 805 N 0.00 0.59 -0.18 2.33 0.00 -1.04 -2.04 119.26 118.92 3haz h ALA 805 Ca 0.00 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.63 3haz h ALA 805 Cb 0.53 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 3haz h ALA 805 CO 0.00 0.38 0.09 -0.44 0.00 0.00 0.00 179.25 179.28 3haz h ASP 806 N 0.61 0.22 -0.33 0.00 3.32 -1.88 -1.00 116.42 117.36 3haz h ASP 806 Ca 0.12 -0.09 -0.09 0.00 0.02 0.00 0.00 57.03 56.99 3haz h ASP 806 Cb 0.50 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.98 3haz h ASP 806 CO 0.02 0.25 -0.14 -0.09 -1.72 0.00 0.00 179.24 177.57 3haz h ARG 807 N 0.18 0.68 -0.38 3.56 9.65 -1.91 -1.72 114.38 124.44 3haz h ARG 807 Ca 0.06 -0.29 -0.04 0.00 -1.10 0.00 0.00 59.98 58.61 3haz h ARG 807 Cb 0.08 -0.03 -0.02 0.00 -1.39 0.00 0.00 29.97 28.62 3haz h ARG 807 CO -0.01 0.88 0.07 0.52 2.80 0.00 0.00 179.97 184.23 3haz h MET 808 N 0.45 0.62 -0.26 0.20 2.86 -1.25 -0.34 114.93 117.21 3haz h MET 808 Ca 0.08 -0.16 -0.01 0.00 -2.06 0.00 0.00 59.70 57.54 3haz h MET 808 Cb 0.66 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.23 3haz h MET 808 CO 0.04 0.67 0.11 0.82 1.06 0.00 0.00 176.91 179.61 3haz h ILE 809 N 0.47 1.17 -0.94 -1.22 2.04 -1.21 -0.55 117.51 117.26 3haz h ILE 809 Ca 0.12 -0.52 0.07 0.00 1.00 0.00 0.00 64.86 65.53 3haz h ILE 809 Cb 0.35 1.03 -0.07 0.00 -0.74 0.00 0.00 36.82 37.39 3haz h ILE 809 CO 0.01 0.17 0.60 -0.08 0.00 0.00 0.00 178.15 178.85 3haz h GLU 810 N 0.27 1.03 -0.19 2.37 4.81 -1.25 -0.29 114.58 121.34 3haz h GLU 810 Ca 0.09 -0.06 -0.22 0.00 -0.13 0.00 0.00 59.36 59.04 3haz h GLU 810 Cb 0.18 -0.23 0.01 0.00 0.63 0.00 0.00 28.75 29.33 3haz h GLU 810 CO -0.01 0.68 -0.73 1.98 -0.73 0.00 0.00 179.01 180.21 3haz h MET 811 N 1.06 0.82 -0.77 1.92 4.05 -0.72 -1.18 114.93 120.11 3haz h MET 811 Ca 0.42 -0.63 -0.00 0.00 -0.28 0.00 0.00 59.70 59.20 3haz h MET 811 Cb 0.22 0.12 -0.04 0.00 -0.80 0.00 0.00 31.60 31.10 3haz h MET 811 CO -0.19 1.25 0.48 0.28 0.23 0.00 0.00 176.91 178.95 3haz h VAL 812 N 0.58 1.21 -0.27 -5.77 2.07 -0.86 0.17 116.25 113.38 3haz h VAL 812 Ca -0.04 -0.45 -0.06 0.00 0.82 0.00 0.00 66.70 66.97 3haz h VAL 812 Cb 1.35 0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 31.24 3haz h VAL 812 CO 0.15 0.22 -0.06 0.00 0.02 0.00 0.00 177.57 177.90 3haz h ALA 813 N 1.25 0.37 -0.67 1.67 0.00 -0.99 0.61 119.26 121.51 3haz h ALA 813 Ca 0.28 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3haz h ALA 813 Cb -0.06 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 3haz h ALA 813 CO -0.05 0.18 0.42 0.78 0.00 0.00 0.00 179.25 180.57 3haz h GLY 814 N 0.27 0.96 0.97 0.00 0.00 -1.12 -1.32 103.07 102.84 3haz h GLY 814 Ca 0.07 -0.38 -0.06 0.00 0.00 0.00 0.00 47.33 46.96 3haz h GLY 814 CO 0.03 0.37 0.06 0.00 0.00 0.00 0.00 176.54 177.00 3haz h ALA 815 N 1.22 0.62 -0.45 3.60 0.00 -0.82 -2.98 119.26 120.45 3haz h ALA 815 Ca 0.24 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 3haz h ALA 815 Cb -0.06 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 3haz h ALA 815 CO -0.05 0.37 0.17 0.00 0.00 0.00 0.00 179.25 179.74 3haz h ALA 816 N 0.95 1.46 0.00 0.00 0.00 -0.59 -1.14 119.26 119.94 3haz h ALA 816 Ca 0.14 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 3haz h ALA 816 Cb 0.41 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 3haz h ALA 816 CO 0.01 0.41 -0.08 -0.09 0.00 0.00 0.00 179.25 179.51 3haz h ARG 817 N 0.63 0.00 -0.00 0.00 2.43 -1.09 -2.33 114.38 114.02 3haz h ARG 817 Ca 0.15 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.32 3haz h ARG 817 Cb 0.14 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.69 3haz h ARG 817 CO -0.01 0.08 -0.05 0.39 -1.51 0.00 0.00 179.97 178.87 3haz n GLU 818 N -3.99 0.78 -2.52 0.20 -0.58 -0.43 -4.83 120.64 109.27 3haz n GLU 818 Ca -0.03 -0.17 -0.43 0.00 -0.42 0.00 0.00 57.16 56.12 3haz n GLU 818 Cb 0.17 -1.50 -0.02 0.00 -0.57 0.00 0.00 31.44 29.52 3haz n GLU 818 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 3haz s LEU 819 N -2.34 4.21 -0.12 -4.62 1.43 -0.88 -4.99 118.68 111.37 3haz s LEU 819 Ca 0.34 1.65 -0.29 0.00 -1.03 0.00 0.00 54.13 54.80 3haz s LEU 819 Cb 0.21 -3.55 -0.02 0.00 0.03 0.00 0.00 46.19 42.86 3haz s LEU 819 CO 0.43 -0.64 1.20 -0.75 0.23 0.00 0.00 176.35 176.83 3haz s LYS 820 N 2.79 4.29 -0.19 1.70 2.47 -1.26 -4.88 119.74 124.66 3haz s LYS 820 Ca 0.52 1.62 -0.07 0.00 -1.56 0.00 0.00 55.97 56.49 3haz s LYS 820 Cb -0.21 -3.66 -0.04 0.00 -1.46 0.00 0.00 37.83 32.47 3haz s LYS 820 CO 0.16 -0.57 0.05 0.42 0.16 0.00 0.00 175.35 175.56 3haz s ILE 821 N 2.88 4.60 -1.36 5.43 1.01 -1.26 0.22 121.20 132.71 3haz s ILE 821 Ca 0.54 -0.10 0.00 0.00 0.00 0.00 0.00 60.65 61.09 3haz s ILE 821 Cb -0.22 -3.07 0.00 0.00 0.01 0.00 0.00 42.46 39.18 3haz s ILE 821 CO 0.17 0.45 0.00 0.61 0.00 0.00 0.00 174.94 176.17 3haz n GLY 822 N 3.70 -0.56 3.65 6.18 0.00 -0.98 -4.79 105.19 112.39 3haz n GLY 822 Ca -0.17 -0.70 -0.43 0.00 0.00 0.00 0.00 46.02 44.73 3haz n GLY 822 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3haz n ASP 823 N 0.00 3.92 0.28 1.61 -0.08 -1.26 -4.37 116.55 116.64 3haz n ASP 823 Ca 0.00 0.80 0.18 0.00 -1.51 0.00 0.00 54.79 54.27 3haz n ASP 823 Cb 0.00 -1.51 0.94 0.00 2.34 0.00 0.00 41.12 42.90 3haz n ASP 823 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 3haz h PRO 824 N 11.10 0.00 0.00 -0.67 0.13 -1.87 -0.70 132.00 139.99 3haz h PRO 824 Ca -0.48 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.56 3haz h PRO 824 Cb 1.25 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.36 3haz h PRO 824 CO 0.95 0.00 -0.40 0.77 -0.23 0.00 0.00 178.00 179.09 3haz h SER 825 N 0.00 0.00 -3.30 1.44 0.02 -1.88 -3.36 113.55 106.46 3haz h SER 825 Ca 0.04 0.00 -0.52 0.00 -0.84 0.00 0.00 61.79 60.46 3haz h SER 825 Cb 0.37 0.00 0.03 0.00 0.14 0.00 0.00 62.40 62.94 3haz h SER 825 CO -0.00 0.40 0.68 -1.81 -1.14 0.00 0.00 176.83 174.96 3haz s ASP 826 N -6.44 6.85 0.50 3.07 1.01 -0.27 -4.91 116.67 116.48 3haz s ASP 826 Ca 0.01 2.41 0.22 0.00 0.71 0.00 0.00 52.55 55.90 3haz s ASP 826 Cb 0.11 -2.61 1.31 0.00 1.01 0.00 0.00 42.92 42.74 3haz s ASP 826 CO 0.70 -0.57 2.06 1.62 0.21 0.00 0.00 175.17 179.18 3haz h VAL 827 N 3.83 0.79 -0.00 -1.27 3.04 -1.87 -2.65 116.25 118.13 3haz h VAL 827 Ca -0.44 -0.51 0.00 0.00 -1.01 0.00 0.00 66.70 64.74 3haz h VAL 827 Cb 1.21 1.30 0.00 0.00 -2.01 0.00 0.00 31.29 31.79 3haz h VAL 827 CO 0.79 0.13 -0.17 0.00 -1.01 0.00 0.00 177.57 177.31 3haz n ALA 828 N -2.38 2.84 -2.09 3.17 0.00 -1.25 -4.83 120.51 115.97 3haz n ALA 828 Ca -0.02 -0.25 -0.42 0.00 0.00 0.00 0.00 53.44 52.76 3haz n ALA 828 Cb 0.22 -1.32 -0.03 0.00 0.00 0.00 0.00 19.45 18.32 3haz n ALA 828 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3haz s THR 829 N -2.73 3.32 -0.19 0.00 2.01 -1.00 -4.59 115.64 112.46 3haz s THR 829 Ca 0.21 1.02 0.12 0.00 0.31 0.00 0.00 61.69 63.35 3haz s THR 829 Cb 0.19 -3.65 -0.20 0.00 0.01 0.00 0.00 72.50 68.85 3haz s THR 829 CO 0.54 0.12 -0.02 1.41 -0.69 0.00 0.00 174.62 175.99 3haz n HIS 830 N 3.16 0.00 -3.85 4.92 8.25 0.13 -4.88 115.22 122.95 3haz n HIS 830 Ca 0.08 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 57.27 3haz n HIS 830 Cb 0.43 -0.88 -0.17 0.00 1.12 0.00 0.00 29.99 30.50 3haz n HIS 830 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3haz s VAL 831 N -2.44 0.91 0.22 1.59 1.01 -0.41 -4.55 120.40 116.74 3haz s VAL 831 Ca -0.15 -0.52 -0.03 0.00 0.00 0.00 0.00 61.98 61.29 3haz s VAL 831 Cb 0.06 -1.14 0.05 0.00 0.00 0.00 0.00 36.38 35.35 3haz s VAL 831 CO 0.67 0.09 0.30 0.61 0.00 0.00 0.00 175.10 176.77 3haz n GLY 832 N 4.94 -0.47 3.87 4.51 0.00 -1.26 -2.32 105.19 114.46 3haz n GLY 832 Ca -0.11 -1.79 -0.31 0.00 0.00 0.00 0.00 46.02 43.81 3haz n GLY 832 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3haz s PRO 833 N -3.48 3.65 0.70 1.61 0.04 -1.26 -4.72 135.00 131.54 3haz s PRO 833 Ca 0.18 0.71 -0.11 0.00 0.04 0.00 0.00 61.00 61.82 3haz s PRO 833 Cb -0.01 -2.13 0.01 0.00 0.04 0.00 0.00 34.50 32.41 3haz s PRO 833 CO 0.12 -0.46 1.06 0.14 0.04 0.00 0.00 177.00 177.91 3haz s VAL 834 N -3.01 3.96 0.20 -0.36 -7.23 -0.01 -4.92 120.40 109.03 3haz s VAL 834 Ca 0.55 0.64 -0.10 0.00 -1.81 0.00 0.00 61.98 61.26 3haz s VAL 834 Cb -0.11 -3.35 0.13 0.00 0.56 0.00 0.00 36.38 33.61 3haz s VAL 834 CO 0.49 -0.82 1.77 -0.29 -0.31 0.00 0.00 175.10 175.93 3haz h ILE 835 N -0.73 0.85 -3.46 -0.62 6.09 -1.90 -3.46 117.51 114.27 3haz h ILE 835 Ca -0.44 -0.17 -0.07 0.00 -1.37 0.00 0.00 64.86 62.81 3haz h ILE 835 Cb 1.21 0.31 -0.06 0.00 0.47 0.00 0.00 36.82 38.76 3haz h ILE 835 CO 0.56 0.09 0.03 1.51 -3.07 0.00 0.00 178.15 177.27 3haz s ASP 836 N -5.46 0.11 0.23 2.19 1.47 -1.26 -5.04 116.67 108.91 3haz s ASP 836 Ca -0.13 -1.04 -0.06 0.00 1.18 0.00 0.00 52.55 52.50 3haz s ASP 836 Cb 0.16 0.70 0.33 0.00 -0.34 0.00 0.00 42.92 43.77 3haz s ASP 836 CO 0.75 -1.35 1.81 0.58 0.68 0.00 0.00 175.17 177.64 3haz h VAL 837 N 2.11 0.94 -0.67 2.11 2.07 -1.97 -2.03 116.25 118.82 3haz h VAL 837 Ca -0.27 -0.26 0.01 0.00 0.82 0.00 0.00 66.70 67.00 3haz h VAL 837 Cb 1.25 0.11 -0.03 0.00 -1.52 0.00 0.00 31.29 31.10 3haz h VAL 837 CO 0.35 0.14 0.44 -0.33 0.02 0.00 0.00 177.57 178.19 3haz h GLU 838 N 0.76 0.87 0.09 1.57 3.07 -1.99 -1.71 114.58 117.23 3haz h GLU 838 Ca 0.36 -0.05 0.01 0.00 -0.50 0.00 0.00 59.36 59.17 3haz h GLU 838 Cb 0.28 -0.20 -0.01 0.00 -0.84 0.00 0.00 28.75 27.98 3haz h GLU 838 CO -0.22 0.58 -0.10 0.00 -1.40 0.00 0.00 179.01 177.87 3haz h ALA 839 N 1.25 -0.18 -0.83 3.43 0.00 -1.80 -2.18 119.26 118.95 3haz h ALA 839 Ca 0.25 -0.02 0.08 0.00 0.00 0.00 0.00 54.91 55.22 3haz h ALA 839 Cb -0.09 0.15 -0.07 0.00 0.00 0.00 0.00 17.79 17.79 3haz h ALA 839 CO -0.06 -0.62 0.49 -0.22 0.00 0.00 0.00 179.25 178.84 3haz h LYS 840 N -0.22 0.82 -0.06 0.00 3.64 -0.94 -0.81 116.57 119.00 3haz h LYS 840 Ca 0.01 -0.05 -0.14 0.00 -1.27 0.00 0.00 60.65 59.20 3haz h LYS 840 Cb 0.22 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 31.84 3haz h LYS 840 CO -0.04 0.54 -0.60 -0.56 -2.27 0.00 0.00 179.45 176.53 3haz h GLN 841 N 0.85 0.21 -0.68 1.90 3.07 -1.17 0.31 115.11 119.60 3haz h GLN 841 Ca 0.39 -0.15 -0.07 0.00 0.09 0.00 0.00 58.65 58.91 3haz h GLN 841 Cb 0.29 0.02 -0.03 0.00 0.08 0.00 0.00 27.48 27.84 3haz h GLN 841 CO -0.22 0.75 0.15 -0.09 0.09 0.00 0.00 178.83 179.51 3haz h ARG 842 N 0.16 1.09 -0.30 0.06 2.43 -0.85 -1.87 114.38 115.10 3haz h ARG 842 Ca -0.01 -0.27 -0.09 0.00 -0.81 0.00 0.00 59.98 58.80 3haz h ARG 842 Cb 1.09 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 30.49 3haz h ARG 842 CO 0.09 0.98 -0.16 -0.07 -1.51 0.00 0.00 179.97 179.30 3haz h LEU 843 N 1.02 0.67 -1.01 3.80 3.38 -0.78 -2.75 115.31 119.64 3haz h LEU 843 Ca 0.21 -0.41 -0.07 0.00 0.09 0.00 0.00 57.88 57.70 3haz h LEU 843 Cb 0.39 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 3haz h LEU 843 CO 0.01 0.94 -0.04 0.44 0.09 0.00 0.00 178.44 179.87 3haz h ASP 844 N 0.40 0.64 -0.52 -0.43 3.32 -0.90 -1.03 116.42 117.89 3haz h ASP 844 Ca 0.07 -0.15 -0.00 0.00 0.02 0.00 0.00 57.03 56.96 3haz h ASP 844 Cb 0.69 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 40.05 3haz h ASP 844 CO 0.05 0.73 0.31 0.00 -1.72 0.00 0.00 179.24 178.61 3haz h ALA 845 N 1.34 0.66 -0.43 3.45 0.00 -1.27 -0.20 119.26 122.81 3haz h ALA 845 Ca 0.12 -0.07 -0.12 0.00 0.00 0.00 0.00 54.91 54.84 3haz h ALA 845 Cb 0.45 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 3haz h ALA 845 CO 0.02 0.16 -0.22 1.25 0.00 0.00 0.00 179.25 180.45 3haz h HIS 846 N 0.70 1.00 -0.58 0.00 -0.00 -1.15 -1.39 115.15 113.72 3haz h HIS 846 Ca 0.19 -0.23 0.01 0.00 -0.00 0.00 0.00 60.37 60.33 3haz h HIS 846 Cb -0.00 -0.24 -0.03 0.00 -0.00 0.00 0.00 27.41 27.14 3haz h HIS 846 CO -0.02 1.01 0.38 0.82 -0.00 0.00 0.00 177.93 180.11 3haz h ILE 847 N 0.76 1.14 -0.57 6.26 2.04 -0.95 0.71 117.51 126.90 3haz h ILE 847 Ca 0.10 -0.27 -0.04 0.00 1.00 0.00 0.00 64.86 65.66 3haz h ILE 847 Cb 0.77 0.29 -0.02 0.00 -0.74 0.00 0.00 36.82 37.11 3haz h ILE 847 CO 0.06 0.14 0.21 0.00 0.00 0.00 0.00 178.15 178.56 3haz h ALA 848 N 1.22 0.75 -0.67 1.87 0.00 -0.74 -0.45 119.26 121.23 3haz h ALA 848 Ca 0.22 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 3haz h ALA 848 Cb -0.07 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.47 3haz h ALA 848 CO -0.06 0.38 0.19 0.07 0.00 0.00 0.00 179.25 179.84 3haz h ARG 849 N 0.80 1.05 -0.59 0.00 -0.00 -1.04 -2.94 114.38 111.66 3haz h ARG 849 Ca 0.19 -0.24 -0.09 0.00 -0.00 0.00 0.00 59.98 59.84 3haz h ARG 849 Cb 0.24 -0.15 -0.02 0.00 -0.00 0.00 0.00 29.97 30.04 3haz h ARG 849 CO -0.01 0.93 -0.00 0.52 -0.00 0.00 0.00 179.97 181.40 3haz h MET 850 N 0.99 1.03 -0.30 0.08 2.07 -0.56 -2.68 114.93 115.56 3haz h MET 850 Ca 0.21 -0.32 0.09 0.00 -2.07 0.00 0.00 59.70 57.61 3haz h MET 850 Cb 0.32 -0.10 -0.01 0.00 -1.87 0.00 0.00 31.60 29.94 3haz h MET 850 CO -0.00 1.01 0.23 0.87 1.07 0.00 0.00 176.91 180.08 3haz h LYS 851 N 0.94 0.00 -0.01 1.72 1.57 -0.90 0.40 116.57 120.29 3haz h LYS 851 Ca 0.17 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.95 3haz h LYS 851 Cb 0.54 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.85 3haz h LYS 851 CO 0.03 0.00 -0.59 0.25 -0.57 0.00 0.00 179.45 178.57 3haz n THR 852 N -4.31 0.00 0.00 -0.16 -2.24 -1.06 -4.44 114.28 102.07 3haz n THR 852 Ca 0.04 -0.16 0.01 0.00 -2.27 0.00 0.00 64.05 61.68 3haz n THR 852 Cb 0.39 1.00 -0.02 0.00 -2.10 0.00 0.00 70.33 69.61 3haz n THR 852 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3haz n GLU 853 N -0.59 0.39 -4.01 -0.78 4.71 -0.58 -5.09 120.64 114.69 3haz n GLU 853 Ca 0.08 -0.02 -0.08 0.00 -0.01 0.00 0.00 57.16 57.13 3haz n GLU 853 Cb 0.41 -1.03 -0.09 0.00 -1.01 0.00 0.00 31.44 29.71 3haz n GLU 853 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3haz s ALA 854 N -2.12 0.26 0.10 0.62 0.00 0.13 -4.87 121.76 115.89 3haz s ALA 854 Ca -0.01 -0.99 -0.31 0.00 0.00 0.00 0.00 51.96 50.65 3haz s ALA 854 Cb 0.02 0.32 -0.07 0.00 0.00 0.00 0.00 23.12 23.39 3haz s ALA 854 CO 0.10 -0.40 1.33 0.50 0.00 0.00 0.00 175.76 177.29 3haz s ARG 855 N -3.75 4.36 -0.31 0.00 3.52 -0.71 -4.53 118.95 117.52 3haz s ARG 855 Ca 0.05 1.98 -0.21 0.00 -0.13 0.00 0.00 55.73 57.42 3haz s ARG 855 Cb 0.06 -3.27 -0.01 0.00 -1.56 0.00 0.00 34.95 30.17 3haz s ARG 855 CO -0.10 -0.37 0.67 -1.17 -0.81 0.00 0.00 175.30 173.52 3haz s LEU 856 N 1.02 4.14 -0.08 -0.88 2.96 -1.26 -0.53 118.68 124.05 3haz s LEU 856 Ca 0.62 0.47 0.16 0.00 -0.22 0.00 0.00 54.13 55.17 3haz s LEU 856 Cb -0.35 -2.88 -0.23 0.00 0.50 0.00 0.00 46.19 43.24 3haz s LEU 856 CO 0.30 -0.52 0.46 1.41 -1.32 0.00 0.00 176.35 176.69 3haz n HIS 857 N 5.96 0.55 -3.64 5.38 8.25 0.26 -4.99 115.22 126.99 3haz n HIS 857 Ca 0.00 0.19 -0.09 0.00 -0.26 0.00 0.00 57.72 57.57 3haz n HIS 857 Cb 0.49 -1.05 -0.07 0.00 1.12 0.00 0.00 29.99 30.48 3haz n HIS 857 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 3haz s PHE 858 N -2.69 -0.90 -0.30 4.41 2.19 -1.17 -4.95 117.98 114.57 3haz s PHE 858 Ca -0.07 1.92 -0.02 0.00 0.33 0.00 0.00 56.93 59.09 3haz s PHE 858 Cb 0.08 0.49 0.10 0.00 -1.31 0.00 0.00 43.02 42.38 3haz s PHE 858 CO 0.83 -0.44 0.11 0.00 1.83 0.00 0.00 175.22 177.55 3haz s ALA 859 N 1.18 1.13 0.85 11.12 0.00 -1.26 -1.47 121.76 133.32 3haz s ALA 859 Ca -0.06 -1.42 -0.10 0.00 0.00 0.00 0.00 51.96 50.38 3haz s ALA 859 Cb -0.05 -1.52 0.11 0.00 0.00 0.00 0.00 23.12 21.66 3haz s ALA 859 CO -0.13 -1.66 1.12 0.20 0.00 0.00 0.00 175.76 175.29 3haz s GLY 860 N 1.83 1.68 -0.18 0.00 0.00 -0.88 -4.98 107.32 104.79 3haz s GLY 860 Ca 0.09 0.43 -0.24 0.00 0.00 0.00 0.00 44.72 45.00 3haz s GLY 860 CO -0.30 0.82 0.79 -4.14 0.00 0.00 0.00 173.10 170.26 3haz s PRO 861 N -4.77 4.26 -0.03 2.90 0.02 -1.26 -4.73 135.00 131.39 3haz s PRO 861 Ca 0.64 0.92 -0.03 0.00 0.02 0.00 0.00 61.00 62.56 3haz s PRO 861 Cb -0.20 -3.58 -0.04 0.00 0.02 0.00 0.00 34.50 30.70 3haz s PRO 861 CO 0.57 -0.34 0.14 0.00 -0.33 0.00 0.00 177.00 177.04 3haz s ALA 862 N 2.20 3.81 0.65 -1.55 0.00 -1.26 -4.90 121.76 120.70 3haz s ALA 862 Ca 0.36 -0.78 -0.13 0.00 0.00 0.00 0.00 51.96 51.42 3haz s ALA 862 Cb -0.16 -1.79 -0.02 0.00 0.00 0.00 0.00 23.12 21.15 3haz s ALA 862 CO 0.11 0.70 1.05 -2.14 0.00 0.00 0.00 175.76 175.49 3haz s PRO 863 N -1.69 3.18 0.32 0.00 0.02 -1.26 -4.99 135.00 130.57 3haz s PRO 863 Ca 0.23 1.01 -0.29 0.00 0.02 0.00 0.00 61.00 61.98 3haz s PRO 863 Cb -0.12 -2.02 -0.13 0.00 0.02 0.00 0.00 34.50 32.25 3haz s PRO 863 CO 0.14 -0.91 1.31 -0.85 -0.33 0.00 0.00 177.00 176.36 3haz n GLU 864 N -2.67 2.09 0.00 5.54 0.00 -1.26 -4.53 120.64 119.81 3haz n GLU 864 Ca 0.08 0.74 0.00 0.00 0.00 0.00 0.00 57.16 57.97 3haz n GLU 864 Cb 0.53 -2.33 0.00 0.00 0.00 0.00 0.00 31.44 29.65 3haz n GLU 864 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3haz n GLY 865 N 1.08 0.35 2.26 -1.84 0.00 -1.26 -4.81 105.19 100.98 3haz n GLY 865 Ca 0.06 -2.30 -0.20 0.00 0.00 0.00 0.00 46.02 43.59 3haz n GLY 865 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3haz s PHE 867 N 2.02 2.66 -0.09 0.00 0.40 -1.26 -0.83 117.98 120.88 3haz s PHE 867 Ca 0.55 -0.22 0.01 0.00 -0.60 0.00 0.00 56.93 56.67 3haz s PHE 867 Cb 0.20 -1.62 0.02 0.00 0.51 0.00 0.00 43.02 42.13 3haz s PHE 867 CO -0.02 0.14 -0.09 0.08 0.70 0.00 0.00 175.22 176.02 3haz s VAL 868 N -0.67 1.04 0.52 -0.44 1.01 -1.26 -4.90 120.40 115.71 3haz s VAL 868 Ca 0.10 -0.35 -0.08 0.00 0.00 0.00 0.00 61.98 61.65 3haz s VAL 868 Cb -0.11 -1.02 -0.04 0.00 0.00 0.00 0.00 36.38 35.21 3haz s VAL 868 CO 0.01 0.36 0.87 0.00 0.00 0.00 0.00 175.10 176.33 3haz s ALA 869 N 1.27 3.29 0.18 5.51 0.00 -1.26 -4.76 121.76 125.99 3haz s ALA 869 Ca -0.03 -0.31 -0.33 0.00 0.00 0.00 0.00 51.96 51.29 3haz s ALA 869 Cb -0.14 -2.78 -0.15 0.00 0.00 0.00 0.00 23.12 20.06 3haz s ALA 869 CO -0.03 -0.42 1.36 -2.30 0.00 0.00 0.00 175.76 174.37 3haz n PRO 870 N -2.28 1.67 -4.44 0.00 -0.02 -1.26 -4.70 135.00 123.96 3haz n PRO 870 Ca 0.03 0.60 -0.23 0.00 -2.02 0.00 0.00 63.50 61.87 3haz n PRO 870 Cb 0.55 -2.22 -0.13 0.00 -0.02 0.00 0.00 33.50 31.67 3haz n PRO 870 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 3haz s HIS 871 N 0.16 1.62 -0.14 6.00 3.76 -0.41 -2.06 115.29 124.21 3haz s HIS 871 Ca 0.74 -0.39 -0.00 0.00 -0.15 0.00 0.00 55.06 55.26 3haz s HIS 871 Cb -0.76 -0.94 0.03 0.00 1.11 0.00 0.00 32.58 32.02 3haz s HIS 871 CO 0.48 0.11 -0.07 0.42 -0.85 0.00 0.00 174.74 174.82 3haz s ILE 872 N -0.94 1.13 0.02 0.60 1.01 -0.54 -0.60 121.20 121.89 3haz s ILE 872 Ca 0.05 -0.50 0.06 0.00 0.00 0.00 0.00 60.65 60.26 3haz s ILE 872 Cb -0.09 -1.22 -0.03 0.00 0.01 0.00 0.00 42.46 41.13 3haz s ILE 872 CO 0.02 0.26 -0.14 -0.36 0.00 0.00 0.00 174.94 174.73 3haz s PHE 873 N 1.64 2.69 -0.18 3.97 0.40 -0.08 -0.58 117.98 125.85 3haz s PHE 873 Ca 0.03 -0.17 -0.05 0.00 -0.60 0.00 0.00 56.93 56.13 3haz s PHE 873 Cb -0.14 -1.52 -0.03 0.00 0.51 0.00 0.00 43.02 41.84 3haz s PHE 873 CO -0.08 0.30 0.01 -2.00 0.70 0.00 0.00 175.22 174.14 3haz s GLU 874 N -1.42 3.73 0.12 0.44 2.12 0.31 0.16 118.70 124.17 3haz s GLU 874 Ca 0.16 -0.47 -0.04 0.00 0.36 0.00 0.00 54.97 54.97 3haz s GLU 874 Cb -0.11 -3.07 -0.05 0.00 0.26 0.00 0.00 34.13 31.16 3haz s GLU 874 CO 0.06 0.15 0.35 -0.51 -0.54 0.00 0.00 175.26 174.77 3haz s LEU 875 N 0.64 4.29 0.19 2.70 1.02 0.38 -1.74 118.68 126.16 3haz s LEU 875 Ca 0.00 0.55 -0.09 0.00 0.02 0.00 0.00 54.13 54.60 3haz s LEU 875 Cb -0.14 -3.22 0.10 0.00 0.02 0.00 0.00 46.19 42.94 3haz s LEU 875 CO 0.02 0.08 1.70 0.74 0.02 0.00 0.00 176.35 178.91 3haz h THR 876 N 2.11 1.26 -3.15 5.49 2.02 -1.89 -3.42 112.91 115.34 3haz h THR 876 Ca -0.46 -0.99 -0.11 0.00 0.77 0.00 0.00 66.41 65.62 3haz h THR 876 Cb 1.17 0.61 -0.19 0.00 -1.74 0.00 0.00 68.15 67.99 3haz h THR 876 CO 0.73 0.37 -0.29 -1.83 0.37 0.00 0.00 175.52 174.87 3haz s GLU 877 N -5.27 0.68 0.39 6.66 -1.05 -1.26 -4.94 118.70 113.91 3haz s GLU 877 Ca -0.12 -0.29 0.09 0.00 -0.15 0.00 0.00 54.97 54.50 3haz s GLU 877 Cb 0.14 0.30 0.86 0.00 -0.44 0.00 0.00 34.13 34.99 3haz s GLU 877 CO 0.84 -0.19 1.97 0.00 0.95 0.00 0.00 175.26 178.82 3haz h ALA 878 N 3.74 1.83 0.00 -0.84 0.00 -1.96 -0.98 119.26 121.05 3haz h ALA 878 Ca -0.30 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.59 3haz h ALA 878 Cb 1.18 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.83 3haz h ALA 878 CO 0.42 0.05 0.11 0.41 0.00 0.00 0.00 179.25 180.24 3haz n GLY 879 N -1.47 -0.59 0.21 0.00 0.00 -1.26 -0.75 105.19 101.33 3haz n GLY 879 Ca 0.10 0.09 0.09 0.00 0.00 0.00 0.00 46.02 46.30 3haz n GLY 879 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3haz h GLN 880 N 0.00 0.00 -4.48 1.61 4.20 -1.60 -3.40 115.11 111.43 3haz h GLN 880 Ca 0.00 0.00 -0.72 0.00 0.06 0.00 0.00 58.65 57.99 3haz h GLN 880 Cb 0.23 0.00 -0.21 0.00 0.30 0.00 0.00 27.48 27.80 3haz h GLN 880 CO 0.00 0.25 -0.42 -1.17 -0.67 0.00 0.00 178.83 176.82 3haz s LEU 881 N -6.78 5.15 0.00 1.46 2.96 0.07 -4.92 118.68 116.62 3haz s LEU 881 Ca 0.01 -0.94 0.04 0.00 -0.22 0.00 0.00 54.13 53.02 3haz s LEU 881 Cb 0.10 -2.16 0.02 0.00 0.50 0.00 0.00 46.19 44.65 3haz s LEU 881 CO 0.65 -0.47 0.54 0.35 -1.32 0.00 0.00 176.35 176.10 3haz n THR 882 N 5.16 0.00 -4.14 3.68 -2.24 -1.26 -5.03 114.28 110.45 3haz n THR 882 Ca -0.11 -0.48 -0.10 0.00 -2.27 0.00 0.00 64.05 61.09 3haz n THR 882 Cb 0.47 1.07 -0.10 0.00 -2.10 0.00 0.00 70.33 69.67 3haz n THR 882 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3haz s GLU 883 N -0.58 0.74 -0.14 -0.78 2.02 -1.26 -5.11 118.70 113.60 3haz s GLU 883 Ca 0.04 -1.22 -0.29 0.00 0.02 0.00 0.00 54.97 53.52 3haz s GLU 883 Cb 0.03 -0.14 -0.02 0.00 0.10 0.00 0.00 34.13 34.10 3haz s GLU 883 CO 0.08 -0.02 1.25 -2.00 0.02 0.00 0.00 175.26 174.58 3haz s GLU 884 N -3.49 4.26 -0.33 1.61 2.12 -1.26 -4.96 118.70 116.65 3haz s GLU 884 Ca 0.07 1.67 -0.07 0.00 0.36 0.00 0.00 54.97 57.01 3haz s GLU 884 Cb 0.03 -3.71 0.03 0.00 0.26 0.00 0.00 34.13 30.74 3haz s GLU 884 CO -0.05 -0.64 0.10 0.08 -0.54 0.00 0.00 175.26 174.21 3haz s VAL 885 N 3.17 3.85 -1.34 3.70 1.01 -1.26 -5.02 120.40 124.50 3haz s VAL 885 Ca 0.55 -1.00 -0.08 0.00 0.00 0.00 0.00 61.98 61.45 3haz s VAL 885 Cb -0.23 -3.12 0.12 0.00 0.00 0.00 0.00 36.38 33.15 3haz s VAL 885 CO 0.17 -0.10 2.19 0.33 0.00 0.00 0.00 175.10 177.68 3haz n PHE 886 N 4.83 2.80 -3.32 5.22 7.35 -1.26 -4.80 117.46 128.28 3haz n PHE 886 Ca -0.13 -2.84 -0.02 0.00 -0.76 0.00 0.00 57.45 53.70 3haz n PHE 886 Cb 0.46 -2.00 0.01 0.00 0.35 0.00 0.00 39.48 38.29 3haz n PHE 886 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3haz n GLY 887 N 2.57 1.52 2.41 7.13 0.00 -1.21 -4.64 105.19 112.97 3haz n GLY 887 Ca 0.52 -1.04 -0.40 0.00 0.00 0.00 0.00 46.02 45.10 3haz n GLY 887 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3haz n PRO 888 N -0.16 3.52 -3.85 1.61 -0.04 -0.77 -4.41 135.00 130.91 3haz n PRO 888 Ca -0.02 -2.32 -0.30 0.00 -0.04 0.00 0.00 63.50 60.82 3haz n PRO 888 Cb 0.15 -2.91 -0.15 0.00 -0.04 0.00 0.00 33.50 30.55 3haz n PRO 888 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3haz s ILE 889 N 2.35 1.35 -0.03 0.52 1.01 -1.26 -1.29 121.20 123.85 3haz s ILE 889 Ca 0.64 -1.55 -0.21 0.00 0.00 0.00 0.00 60.65 59.53 3haz s ILE 889 Cb 0.17 -1.92 -0.05 0.00 0.01 0.00 0.00 42.46 40.67 3haz s ILE 889 CO -0.07 -0.51 0.60 -0.22 0.00 0.00 0.00 174.94 174.75 3haz s LEU 890 N 1.40 4.38 -0.02 2.97 2.96 0.23 -4.81 118.68 125.79 3haz s LEU 890 Ca 0.06 1.12 0.02 0.00 -0.22 0.00 0.00 54.13 55.12 3haz s LEU 890 Cb -0.18 -2.92 -0.03 0.00 0.50 0.00 0.00 46.19 43.55 3haz s LEU 890 CO -0.16 0.05 -0.05 -1.00 -1.32 0.00 0.00 176.35 173.87 3haz s HIS 891 N 0.10 2.94 -0.04 5.38 3.76 -0.46 -0.90 115.29 126.07 3haz s HIS 891 Ca 0.32 0.00 0.03 0.00 -0.15 0.00 0.00 55.06 55.26 3haz s HIS 891 Cb -0.18 -1.65 0.00 0.00 1.11 0.00 0.00 32.58 31.87 3haz s HIS 891 CO 0.16 0.38 -0.11 0.08 -0.85 0.00 0.00 174.74 174.41 3haz s VAL 892 N -0.97 0.96 -0.13 -0.90 1.01 0.12 -0.07 120.40 120.43 3haz s VAL 892 Ca 0.16 -0.44 0.01 0.00 0.00 0.00 0.00 61.98 61.71 3haz s VAL 892 Cb -0.11 -0.86 0.02 0.00 0.00 0.00 0.00 36.38 35.43 3haz s VAL 892 CO 0.06 0.30 -0.14 -0.69 0.00 0.00 0.00 175.10 174.63 3haz s VAL 893 N 0.27 1.53 0.28 2.92 1.01 0.69 -0.47 120.40 126.64 3haz s VAL 893 Ca -0.05 -0.63 -0.14 0.00 0.00 0.00 0.00 61.98 61.16 3haz s VAL 893 Cb -0.11 -1.42 -0.08 0.00 0.00 0.00 0.00 36.38 34.77 3haz s VAL 893 CO 0.01 0.45 0.68 0.00 0.00 0.00 0.00 175.10 176.24 3haz s ARG 894 N 1.29 3.97 0.08 2.72 1.70 -1.26 -1.90 118.95 125.54 3haz s ARG 894 Ca 0.00 0.58 -0.04 0.00 -0.47 0.00 0.00 55.73 55.80 3haz s ARG 894 Cb -0.14 -2.54 -0.03 0.00 -0.57 0.00 0.00 34.95 31.68 3haz s ARG 894 CO -0.07 0.23 0.07 1.52 -1.08 0.00 0.00 175.30 175.97 3haz s TYR 895 N -1.89 0.42 0.02 5.89 -0.85 -0.55 -4.89 117.35 115.51 3haz s TYR 895 Ca 0.51 -0.90 -0.16 0.00 -0.52 0.00 0.00 57.07 56.00 3haz s TYR 895 Cb -0.11 -0.27 -0.06 0.00 0.38 0.00 0.00 41.96 41.90 3haz s TYR 895 CO 0.19 -0.47 0.46 1.03 -1.52 0.00 0.00 175.55 175.23 3haz s ARG 896 N -3.92 4.01 0.28 -3.49 0.52 -1.26 -0.19 118.95 114.89 3haz s ARG 896 Ca 0.09 0.51 0.01 0.00 -0.52 0.00 0.00 55.73 55.82 3haz s ARG 896 Cb 0.07 -3.23 0.59 0.00 0.52 0.00 0.00 34.95 32.89 3haz s ARG 896 CO -0.08 0.67 1.79 -1.35 0.02 0.00 0.00 175.30 176.34 3haz h PRO 897 N 4.70 0.74 0.00 3.54 0.11 -1.98 0.31 132.00 139.42 3haz h PRO 897 Ca -0.51 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.56 3haz h PRO 897 Cb 1.22 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.16 3haz h PRO 897 CO 0.62 0.49 0.00 -0.85 -0.21 0.00 0.00 178.00 178.06 3haz n GLU 898 N -4.77 0.12 -1.02 1.05 0.00 -1.26 -2.70 120.64 112.05 3haz n GLU 898 Ca 0.19 0.44 -0.11 0.00 0.00 0.00 0.00 57.16 57.68 3haz n GLU 898 Cb 0.44 -1.77 0.24 0.00 0.00 0.00 0.00 31.44 30.36 3haz n GLU 898 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 3haz n ASN 899 N -1.99 3.97 -0.04 -1.84 3.02 0.11 -4.56 115.26 113.93 3haz n ASN 899 Ca 0.01 -3.45 0.06 0.00 -0.03 0.00 0.00 54.58 51.18 3haz n ASN 899 Cb 0.15 -0.75 0.43 0.00 -0.61 0.00 0.00 39.78 39.01 3haz n ASN 899 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 3haz h LEU 900 N 1.72 0.47 -0.64 3.41 5.85 -1.61 -2.49 115.31 122.02 3haz h LEU 900 Ca 0.38 -0.01 0.09 0.00 0.84 0.00 0.00 57.88 59.18 3haz h LEU 900 Cb 2.36 -0.11 -0.07 0.00 0.37 0.00 0.00 40.66 43.21 3haz h LEU 900 CO 0.78 0.32 0.28 -0.08 -0.34 0.00 0.00 178.44 179.41 3haz h GLU 901 N 0.54 0.49 0.00 1.25 4.57 -1.88 -1.11 114.58 118.44 3haz h GLU 901 Ca 0.20 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.35 3haz h GLU 901 Cb 0.11 -0.11 0.00 0.00 -0.16 0.00 0.00 28.75 28.59 3haz h GLU 901 CO -0.05 0.32 0.00 0.07 -1.18 0.00 0.00 179.01 178.17 3haz h ARG 902 N 0.50 0.00 -0.40 1.92 0.11 -1.81 -0.96 114.38 113.75 3haz h ARG 902 Ca 0.32 0.00 -0.08 0.00 0.10 0.00 0.00 59.98 60.31 3haz h ARG 902 Cb 0.34 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.41 3haz h ARG 902 CO -0.27 0.00 -0.07 0.28 0.10 0.00 0.00 179.97 180.00 3haz h VAL 903 N 0.00 1.27 -0.45 0.08 2.07 -1.10 -1.81 116.25 116.31 3haz h VAL 903 Ca 0.00 -1.15 -0.11 0.00 0.82 0.00 0.00 66.70 66.26 3haz h VAL 903 Cb 0.74 1.20 -0.01 0.00 -1.52 0.00 0.00 31.29 31.70 3haz h VAL 903 CO 0.00 0.38 -0.16 -0.07 0.02 0.00 0.00 177.57 177.75 3haz h LEU 904 N 0.57 0.92 -1.03 2.57 3.38 -0.73 -1.56 115.31 119.42 3haz h LEU 904 Ca 0.10 -0.38 -0.05 0.00 0.09 0.00 0.00 57.88 57.64 3haz h LEU 904 Cb 0.59 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 3haz h LEU 904 CO 0.04 1.09 0.09 0.03 0.09 0.00 0.00 178.44 179.77 3haz h ARG 905 N 0.74 0.78 -0.76 1.13 3.08 -1.23 -0.49 114.38 117.62 3haz h ARG 905 Ca 0.11 -0.17 -0.05 0.00 0.07 0.00 0.00 59.98 59.94 3haz h ARG 905 Cb 0.72 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.62 3haz h ARG 905 CO 0.05 0.73 0.28 0.00 -1.07 0.00 0.00 179.97 179.96 3haz h ALA 906 N 1.35 1.05 -0.33 0.04 0.00 -0.97 -0.39 119.26 120.00 3haz h ALA 906 Ca 0.16 -0.21 -0.13 0.00 0.00 0.00 0.00 54.91 54.73 3haz h ALA 906 Cb 0.33 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3haz h ALA 906 CO 0.00 0.66 -0.31 0.82 0.00 0.00 0.00 179.25 180.43 3haz h ILE 907 N 1.12 1.29 -0.24 0.00 2.04 -0.88 -2.98 117.51 117.86 3haz h ILE 907 Ca 0.25 -1.47 -0.04 0.00 1.00 0.00 0.00 64.86 64.60 3haz h ILE 907 Cb 0.25 1.48 -0.01 0.00 -0.74 0.00 0.00 36.82 37.80 3haz h ILE 907 CO -0.02 0.48 -0.02 -0.33 0.00 0.00 0.00 178.15 178.27 3haz h GLU 908 N 0.58 0.35 -0.01 2.37 5.08 -0.88 -3.24 114.58 118.83 3haz h GLU 908 Ca 0.06 -0.06 -0.05 0.00 -1.00 0.00 0.00 59.36 58.30 3haz h GLU 908 Cb 0.88 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.07 3haz h GLU 908 CO 0.08 0.40 -0.24 -0.09 -1.00 0.00 0.00 179.01 178.15 3haz h ARG 909 N 0.35 0.02 -0.02 2.33 2.43 -0.90 -2.77 114.38 115.81 3haz h ARG 909 Ca 0.08 -0.01 -0.11 0.00 -0.81 0.00 0.00 59.98 59.14 3haz h ARG 909 Cb 0.26 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.80 3haz h ARG 909 CO 0.01 0.26 -0.49 1.79 -1.51 0.00 0.00 179.97 180.03 3haz h THR 910 N 0.02 1.35 0.00 0.20 1.35 -1.65 -3.47 112.91 110.71 3haz h THR 910 Ca 0.00 -1.69 0.00 0.00 -0.55 0.00 0.00 66.41 64.17 3haz h THR 910 Cb 0.44 1.89 0.00 0.00 -1.73 0.00 0.00 68.15 68.75 3haz h THR 910 CO 0.03 0.49 0.00 0.61 -0.25 0.00 0.00 175.52 176.40 3haz n GLY 911 N -0.10 1.67 3.90 5.82 0.00 -1.05 -4.97 105.19 110.46 3haz n GLY 911 Ca -0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.71 3haz n GLY 911 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3haz s TYR 912 N -2.40 2.79 -0.34 1.61 2.02 -1.26 -0.78 117.35 118.99 3haz s TYR 912 Ca 0.00 0.71 0.04 0.00 -0.37 0.00 0.00 57.07 57.45 3haz s TYR 912 Cb 0.00 -3.56 0.32 0.00 -0.40 0.00 0.00 41.96 38.31 3haz s TYR 912 CO 0.00 -1.89 1.37 0.41 -1.57 0.00 0.00 175.55 173.87 3haz n GLY 913 N -3.33 -1.26 0.00 0.71 0.00 -1.23 -4.80 105.19 95.28 3haz n GLY 913 Ca 0.09 0.74 0.00 0.00 0.00 0.00 0.00 46.02 46.85 3haz n GLY 913 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3haz n LEU 914 N 0.42 0.41 -4.45 0.99 7.94 -1.26 -1.33 117.00 119.71 3haz n LEU 914 Ca -0.06 0.02 -0.27 0.00 -1.11 0.00 0.00 56.01 54.59 3haz n LEU 914 Cb 0.75 -0.10 -0.11 0.00 0.53 0.00 0.00 43.42 44.49 3haz n LEU 914 CO -0.09 -0.10 -0.51 0.42 -1.11 0.00 0.00 177.39 176.00 3haz s THR 915 N -0.19 2.52 -0.09 1.96 -4.23 -1.26 -0.88 115.64 113.47 3haz s THR 915 Ca 0.00 -1.92 -0.04 0.00 -1.18 0.00 0.00 61.69 58.55 3haz s THR 915 Cb 0.00 -2.21 0.04 0.00 1.34 0.00 0.00 72.50 71.67 3haz s THR 915 CO 0.00 -0.09 0.20 -0.22 -0.54 0.00 0.00 174.62 173.97 3haz s LEU 916 N -2.63 0.59 -0.04 4.79 2.96 -0.53 -3.67 118.68 120.15 3haz s LEU 916 Ca 0.21 0.42 -0.02 0.00 -0.22 0.00 0.00 54.13 54.51 3haz s LEU 916 Cb -0.08 0.57 -0.04 0.00 0.50 0.00 0.00 46.19 47.14 3haz s LEU 916 CO 0.10 -0.15 0.11 -0.83 -1.32 0.00 0.00 176.35 174.26 3haz s GLY 917 N 1.16 2.07 -0.08 7.98 0.00 -0.38 -0.93 107.32 117.14 3haz s GLY 917 Ca -0.09 -0.79 -0.01 0.00 0.00 0.00 0.00 44.72 43.83 3haz s GLY 917 CO -0.07 -0.63 -0.02 0.14 0.00 0.00 0.00 173.10 172.52 3haz s VAL 918 N -1.16 0.52 -0.28 1.40 1.01 0.11 -0.85 120.40 121.15 3haz s VAL 918 Ca 0.21 0.02 -0.00 0.00 0.00 0.00 0.00 61.98 62.21 3haz s VAL 918 Cb -0.12 -0.64 0.05 0.00 0.00 0.00 0.00 36.38 35.67 3haz s VAL 918 CO 0.12 0.28 -0.04 -1.00 0.00 0.00 0.00 175.10 174.46 3haz s HIS 919 N 1.83 3.25 -0.19 5.22 3.76 0.44 -0.33 115.29 129.27 3haz s HIS 919 Ca 0.04 -2.01 -0.29 0.00 -0.15 0.00 0.00 55.06 52.66 3haz s HIS 919 Cb -0.12 -2.04 0.12 0.00 1.11 0.00 0.00 32.58 31.64 3haz s HIS 919 CO -0.05 -0.83 0.96 0.45 -0.85 0.00 0.00 174.74 174.42 3haz s SER 920 N 1.21 -0.44 0.06 1.40 0.15 -1.26 -2.22 113.70 112.60 3haz s SER 920 Ca -0.06 0.61 0.26 0.00 0.70 0.00 0.00 55.95 57.46 3haz s SER 920 Cb -0.20 0.54 0.71 0.00 -1.71 0.00 0.00 66.02 65.37 3haz s SER 920 CO -0.03 -0.31 1.59 -1.14 1.20 0.00 0.00 173.24 174.55 3haz n ARG 921 N 1.26 0.12 -3.13 5.44 0.63 -1.26 -4.82 116.66 114.89 3haz n ARG 921 Ca -0.12 0.06 -0.44 0.00 -0.92 0.00 0.00 57.85 56.43 3haz n ARG 921 Cb 0.57 -1.60 -0.05 0.00 0.45 0.00 0.00 32.46 31.83 3haz n ARG 921 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 3haz s ILE 922 N -3.06 4.84 0.30 5.15 1.01 -1.26 -4.89 121.20 123.30 3haz s ILE 922 Ca 0.10 -0.70 0.04 0.00 0.00 0.00 0.00 60.65 60.10 3haz s ILE 922 Cb 0.16 -4.38 0.30 0.00 0.01 0.00 0.00 42.46 38.54 3haz s ILE 922 CO 0.64 -0.95 1.83 0.44 0.00 0.00 0.00 174.94 176.90 3haz h ASP 923 N 9.08 0.85 -0.25 3.58 3.32 -1.94 -1.13 116.42 129.93 3haz h ASP 923 Ca -0.28 0.06 -0.08 0.00 0.02 0.00 0.00 57.03 56.75 3haz h ASP 923 Cb 1.09 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 40.52 3haz h ASP 923 CO 1.03 0.41 -0.09 0.44 -1.72 0.00 0.00 179.24 179.31 3haz h ASP 924 N 0.89 0.62 -0.11 6.45 3.32 -1.92 0.42 116.42 126.08 3haz h ASP 924 Ca 0.51 -0.16 -0.06 0.00 0.02 0.00 0.00 57.03 57.33 3haz h ASP 924 Cb 0.63 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 40.01 3haz h ASP 924 CO -0.28 0.75 -0.17 0.28 -1.72 0.00 0.00 179.24 178.10 3haz h SER 925 N 0.59 0.35 -0.41 6.45 0.02 -1.74 -1.44 113.55 117.36 3haz h SER 925 Ca 0.11 -0.53 0.07 0.00 -0.84 0.00 0.00 61.79 60.60 3haz h SER 925 Cb 0.51 -0.10 -0.06 0.00 0.14 0.00 0.00 62.40 62.89 3haz h SER 925 CO 0.03 0.81 0.04 0.40 -1.14 0.00 0.00 176.83 176.97 3haz h ILE 926 N -0.11 0.73 -0.32 3.27 2.04 -1.09 -1.42 117.51 120.61 3haz h ILE 926 Ca 0.01 -0.05 -0.12 0.00 1.00 0.00 0.00 64.86 65.70 3haz h ILE 926 Cb 0.74 0.56 -0.01 0.00 -0.74 0.00 0.00 36.82 37.37 3haz h ILE 926 CO 0.04 0.03 -0.28 -0.33 0.00 0.00 0.00 178.15 177.61 3haz h GLU 927 N 0.15 0.65 -0.58 2.37 5.08 -0.91 -1.62 114.58 119.73 3haz h GLU 927 Ca 0.20 -0.28 -0.08 0.00 -1.00 0.00 0.00 59.36 58.20 3haz h GLU 927 Cb 0.27 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.48 3haz h GLU 927 CO -0.31 0.86 0.03 0.00 -1.00 0.00 0.00 179.01 178.59 3haz h ALA 928 N 1.13 0.96 -0.16 3.43 0.00 -0.91 -0.72 119.26 122.98 3haz h ALA 928 Ca 0.07 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.66 3haz h ALA 928 Cb 0.76 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 3haz h ALA 928 CO 0.06 0.64 -0.03 0.82 0.00 0.00 0.00 179.25 180.74 3haz h ILE 929 N 0.91 1.28 -0.68 0.00 2.04 -1.08 -2.26 117.51 117.71 3haz h ILE 929 Ca 0.17 -0.96 0.06 0.00 1.00 0.00 0.00 64.86 65.13 3haz h ILE 929 Cb 0.49 1.60 -0.05 0.00 -0.74 0.00 0.00 36.82 38.11 3haz h ILE 929 CO 0.02 0.28 0.39 0.40 0.00 0.00 0.00 178.15 179.24 3haz h ILE 930 N 0.01 0.98 -0.77 -0.67 2.04 -1.20 -1.63 117.51 116.27 3haz h ILE 930 Ca 0.04 -0.24 -0.01 0.00 1.00 0.00 0.00 64.86 65.65 3haz h ILE 930 Cb 0.45 0.20 -0.04 0.00 -0.74 0.00 0.00 36.82 36.69 3haz h ILE 930 CO 0.01 0.13 0.43 -0.78 0.00 0.00 0.00 178.15 177.95 3haz h ASP 931 N 0.71 0.93 0.16 1.72 3.58 -1.06 -3.24 116.42 119.23 3haz h ASP 931 Ca 0.30 -0.07 -0.31 0.00 0.42 0.00 0.00 57.03 57.38 3haz h ASP 931 Cb 0.18 -0.24 0.03 0.00 1.72 0.00 0.00 39.33 41.02 3haz h ASP 931 CO -0.18 0.74 -1.31 -0.09 -2.88 0.00 0.00 179.24 175.52 3haz h ARG 932 N 1.06 0.61 -6.68 0.28 9.65 -0.77 -3.47 114.38 115.06 3haz h ARG 932 Ca 0.27 -0.87 -0.48 0.00 -1.10 0.00 0.00 59.98 57.80 3haz h ARG 932 Cb 0.00 0.30 0.02 0.00 -1.39 0.00 0.00 29.97 28.90 3haz h ARG 932 CO -0.05 1.40 -0.08 0.14 2.80 0.00 0.00 179.97 184.19 3haz s VAL 933 N -2.89 4.99 -1.25 0.20 -7.23 -0.68 -5.02 120.40 108.52 3haz s VAL 933 Ca -0.09 -0.22 0.10 0.00 -1.81 0.00 0.00 61.98 59.96 3haz s VAL 933 Cb 0.05 -3.85 0.09 0.00 0.56 0.00 0.00 36.38 33.23 3haz s VAL 933 CO 0.94 -0.66 0.84 0.00 -0.31 0.00 0.00 175.10 175.91 3haz n GLN 934 N -1.97 0.50 -1.40 4.82 6.02 -1.26 -4.91 117.38 119.17 3haz n GLN 934 Ca -0.03 -1.14 -0.44 0.00 -0.01 0.00 0.00 57.00 55.39 3haz n GLN 934 Cb 0.56 -1.20 -0.01 0.00 1.02 0.00 0.00 30.24 30.61 3haz n GLN 934 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 3haz n VAL 935 N 0.56 1.52 -0.16 5.09 0.31 -1.26 -4.76 118.33 119.63 3haz n VAL 935 Ca 0.06 -0.50 -0.10 0.00 -0.01 0.00 0.00 64.34 63.79 3haz n VAL 935 Cb 0.26 -0.24 -0.00 0.00 -0.91 0.00 0.00 33.84 32.95 3haz n VAL 935 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 3haz h GLY 936 N 0.83 0.84 -7.06 2.92 0.00 -0.85 -3.43 103.07 96.32 3haz h GLY 936 Ca -0.35 -0.58 -0.52 0.00 0.00 0.00 0.00 47.33 45.88 3haz h GLY 936 CO 0.53 0.53 -0.78 -1.31 0.00 0.00 0.00 176.54 175.51 3haz s ASN 937 N -6.21 2.52 -0.17 0.19 -0.87 -0.06 -4.83 114.94 105.51 3haz s ASN 937 Ca -0.13 -0.54 -0.05 0.00 -1.57 0.00 0.00 52.86 50.57 3haz s ASN 937 Cb 0.11 -0.73 -0.03 0.00 -0.02 0.00 0.00 41.25 40.58 3haz s ASN 937 CO 0.80 -0.21 0.00 -0.63 -2.57 0.00 0.00 177.10 174.49 3haz s ILE 938 N 1.76 4.23 -0.17 0.60 1.01 -1.26 -1.45 121.20 125.93 3haz s ILE 938 Ca 0.02 -0.23 0.01 0.00 0.00 0.00 0.00 60.65 60.44 3haz s ILE 938 Cb -0.15 -2.88 0.01 0.00 0.01 0.00 0.00 42.46 39.45 3haz s ILE 938 CO -0.07 0.47 -0.19 -0.31 0.00 0.00 0.00 174.94 174.85 3haz s TYR 939 N 0.42 2.76 -0.21 3.97 1.51 -0.11 -4.99 117.35 120.71 3haz s TYR 939 Ca -0.01 -1.39 -0.04 0.00 -1.01 0.00 0.00 57.07 54.62 3haz s TYR 939 Cb -0.14 -1.90 -0.01 0.00 -0.11 0.00 0.00 41.96 39.81 3haz s TYR 939 CO 0.02 -0.67 -0.03 0.08 -1.11 0.00 0.00 175.55 173.84 3haz s VAL 940 N 1.07 3.54 -1.55 0.71 1.01 -1.26 -0.71 120.40 123.21 3haz s VAL 940 Ca -0.01 -0.44 -0.05 0.00 0.00 0.00 0.00 61.98 61.48 3haz s VAL 940 Cb -0.14 -2.60 0.01 0.00 0.00 0.00 0.00 36.38 33.64 3haz s VAL 940 CO -0.06 0.43 0.63 0.59 0.00 0.00 0.00 175.10 176.69 3haz n ASN 941 N 4.53 -6.08 -3.22 3.32 3.02 0.55 -4.97 115.26 112.43 3haz n ASN 941 Ca -0.18 -0.30 -0.09 0.00 -0.03 0.00 0.00 54.58 53.98 3haz n ASN 941 Cb 0.51 -4.91 0.00 0.00 -0.61 0.00 0.00 39.78 34.78 3haz n ASN 941 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3haz s ARG 942 N -5.74 2.07 1.01 3.52 1.70 -1.26 -5.09 118.95 115.15 3haz s ARG 942 Ca 0.32 -1.38 -0.12 0.00 -0.47 0.00 0.00 55.73 54.08 3haz s ARG 942 Cb -0.14 0.59 0.19 0.00 -0.57 0.00 0.00 34.95 35.02 3haz s ARG 942 CO 0.40 -0.95 1.09 0.54 -1.08 0.00 0.00 175.30 175.29 3haz s ASN 943 N -3.06 2.53 -0.05 -2.89 2.20 -1.26 -4.85 114.94 107.56 3haz s ASN 943 Ca 0.17 1.26 0.17 0.00 -0.94 0.00 0.00 52.86 53.52 3haz s ASN 943 Cb -0.04 -1.94 0.56 0.00 -2.00 0.00 0.00 41.25 37.82 3haz s ASN 943 CO 0.11 -3.20 1.47 0.23 -2.94 0.00 0.00 177.10 172.77 3haz n MET 944 N -4.23 3.08 -4.55 3.55 2.81 -1.26 -4.89 117.12 111.62 3haz n MET 944 Ca 0.05 -2.56 -0.26 0.00 -1.81 0.00 0.00 57.70 53.13 3haz n MET 944 Cb 0.57 -1.59 -0.10 0.00 -0.71 0.00 0.00 33.22 31.39 3haz n MET 944 CO 0.00 0.00 0.00 0.96 1.51 0.00 0.00 175.97 178.44 3haz s ILE 945 N -1.39 1.21 -0.58 2.02 -4.36 -1.26 -4.77 121.20 112.07 3haz s ILE 945 Ca 0.41 -2.00 -0.01 0.00 -0.26 0.00 0.00 60.65 58.79 3haz s ILE 945 Cb 0.24 -2.63 0.00 0.00 1.25 0.00 0.00 42.46 41.33 3haz s ILE 945 CO 0.24 0.00 0.49 0.61 0.24 0.00 0.00 174.94 176.52 3haz n GLY 946 N -0.89 0.12 3.67 6.27 0.00 -1.26 -4.95 105.19 108.15 3haz n GLY 946 Ca -0.06 -0.22 -0.45 0.00 0.00 0.00 0.00 46.02 45.28 3haz n GLY 946 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3haz n ALA 947 N -2.84 1.06 -2.67 4.61 0.00 -1.26 -4.95 120.51 114.46 3haz n ALA 947 Ca -0.09 0.43 -0.37 0.00 0.00 0.00 0.00 53.44 53.41 3haz n ALA 947 Cb 0.56 -2.28 -0.09 0.00 0.00 0.00 0.00 19.45 17.64 3haz n ALA 947 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3haz s VAL 948 N 0.23 5.32 -0.05 0.00 1.01 -1.26 -4.93 120.40 120.71 3haz s VAL 948 Ca 0.72 0.35 -0.37 0.00 0.00 0.00 0.00 61.98 62.68 3haz s VAL 948 Cb -0.67 -3.57 -0.15 0.00 0.00 0.00 0.00 36.38 31.99 3haz s VAL 948 CO 0.46 0.33 1.63 0.52 0.00 0.00 0.00 175.10 178.04 3haz n VAL 949 N 4.21 0.22 -0.79 2.92 0.31 -1.26 -0.50 118.33 123.44 3haz n VAL 949 Ca -0.13 -0.04 0.00 0.00 -0.01 0.00 0.00 64.34 64.16 3haz n VAL 949 Cb 0.52 -1.31 0.00 0.00 -0.91 0.00 0.00 33.84 32.14 3haz n VAL 949 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3haz n GLY 950 N 3.62 1.30 0.98 2.92 0.00 -0.46 -4.77 105.19 108.78 3haz n GLY 950 Ca 0.22 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.22 3haz n GLY 950 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3haz n VAL 951 N -2.00 0.63 -3.74 1.61 0.31 0.07 -4.84 118.33 110.37 3haz n VAL 951 Ca 0.00 0.18 -0.35 0.00 -0.01 0.00 0.00 64.34 64.16 3haz n VAL 951 Cb 0.00 -1.57 -0.09 0.00 -0.91 0.00 0.00 33.84 31.27 3haz n VAL 951 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 3haz s GLN 952 N -2.04 2.72 -0.04 5.55 1.11 0.34 -4.96 119.66 122.34 3haz s GLN 952 Ca -0.02 -2.89 -0.36 0.00 0.01 0.00 0.00 55.36 52.10 3haz s GLN 952 Cb 0.01 -3.72 -0.15 0.00 -1.01 0.00 0.00 33.01 28.14 3haz s GLN 952 CO 0.02 -1.21 1.64 -2.30 0.01 0.00 0.00 175.29 173.46 3haz n PRO 953 N 2.88 1.63 -4.75 2.91 -0.02 -1.26 -4.25 135.00 132.14 3haz n PRO 953 Ca 0.13 0.59 -0.32 0.00 -2.02 0.00 0.00 63.50 61.89 3haz n PRO 953 Cb 0.37 -2.33 -0.12 0.00 -0.02 0.00 0.00 33.50 31.39 3haz n PRO 953 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 3haz s PHE 954 N 2.34 2.72 0.00 6.00 5.36 -0.59 -4.91 117.98 128.90 3haz s PHE 954 Ca 0.89 -0.15 0.00 0.00 -0.96 0.00 0.00 56.93 56.71 3haz s PHE 954 Cb -0.86 -1.59 0.00 0.00 -0.34 0.00 0.00 43.02 40.23 3haz s PHE 954 CO 0.51 0.24 0.00 0.41 -1.46 0.00 0.00 175.22 174.92 3haz n GLY 955 N 2.01 4.55 1.38 13.12 0.00 -1.26 -1.91 105.19 123.08 3haz n GLY 955 Ca -0.17 -1.31 -0.12 0.00 0.00 0.00 0.00 46.02 44.42 3haz n GLY 955 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3haz n GLY 956 N -1.97 3.93 0.08 -0.02 0.00 -1.26 -4.36 105.19 101.58 3haz n GLY 956 Ca 0.00 -2.27 -0.01 0.00 0.00 0.00 0.00 46.02 43.74 3haz n GLY 956 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3haz n ASN 957 N -1.14 1.20 0.00 1.61 6.94 -1.01 -3.53 115.26 119.33 3haz n ASN 957 Ca -0.08 -1.05 0.00 0.00 -0.02 0.00 0.00 54.58 53.43 3haz n ASN 957 Cb 0.24 0.02 0.00 0.00 -2.36 0.00 0.00 39.78 37.68 3haz n ASN 957 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3haz n GLY 958 N 2.89 3.02 0.00 4.83 0.00 -1.25 -1.13 105.19 113.55 3haz n GLY 958 Ca -0.00 -0.27 0.06 0.00 0.00 0.00 0.00 46.02 45.80 3haz n GLY 958 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3haz n LEU 959 N 0.00 0.00 0.02 0.99 4.77 0.04 -2.87 117.00 119.95 3haz n LEU 959 Ca 0.00 0.37 0.12 0.00 -0.03 0.00 0.00 56.01 56.47 3haz n LEU 959 Cb 0.00 -0.37 0.19 0.00 -2.33 0.00 0.00 43.42 40.90 3haz n LEU 959 CO 0.00 -0.23 0.35 -1.20 -1.33 0.00 0.00 177.39 174.98 3haz n SER 960 N -1.37 0.58 0.00 -1.43 7.64 -0.28 -4.32 113.62 114.43 3haz n SER 960 Ca 0.04 -0.18 0.00 0.00 1.01 0.00 0.00 58.87 59.75 3haz n SER 960 Cb 0.11 0.33 0.00 0.00 -1.01 0.00 0.00 64.21 63.64 3haz n SER 960 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3haz n GLY 961 N 1.44 1.05 0.06 0.23 0.00 -1.14 -0.67 105.19 106.16 3haz n GLY 961 Ca 0.04 -1.13 0.01 0.00 0.00 0.00 0.00 46.02 44.95 3haz n GLY 961 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3haz n THR 962 N -0.86 0.71 -0.36 2.61 -2.24 -0.52 -3.90 114.28 109.71 3haz n THR 962 Ca 0.00 -0.67 0.05 0.00 -2.27 0.00 0.00 64.05 61.16 3haz n THR 962 Cb 0.00 -0.27 -0.01 0.00 -2.10 0.00 0.00 70.33 67.94 3haz n THR 962 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3haz n GLY 963 N 1.47 -1.76 3.80 3.38 0.00 -1.26 -4.99 105.19 105.83 3haz n GLY 963 Ca -0.16 -1.42 -0.30 0.00 0.00 0.00 0.00 46.02 44.14 3haz n GLY 963 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3haz s PRO 964 N -1.79 1.94 0.08 1.61 0.04 -1.26 -4.57 135.00 131.04 3haz s PRO 964 Ca 0.00 0.58 -0.31 0.00 0.04 0.00 0.00 61.00 61.31 3haz s PRO 964 Cb 0.00 -1.91 -0.08 0.00 0.04 0.00 0.00 34.50 32.56 3haz s PRO 964 CO 0.00 -1.71 1.44 0.15 0.04 0.00 0.00 177.00 176.91 3haz s LYS 965 N -5.18 4.29 0.56 4.56 1.02 -1.26 -4.87 119.74 118.86 3haz s LYS 965 Ca 0.61 2.10 -0.21 0.00 0.02 0.00 0.00 55.97 58.49 3haz s LYS 965 Cb -0.14 -3.36 -0.05 0.00 -0.52 0.00 0.00 37.83 33.76 3haz s LYS 965 CO 0.54 -0.52 1.31 0.00 -0.92 0.00 0.00 175.35 175.76 3haz n ALA 966 N 4.49 1.37 -1.70 5.17 0.00 -0.80 -2.88 120.51 126.16 3haz n ALA 966 Ca 0.13 0.11 -0.15 0.00 0.00 0.00 0.00 53.44 53.52 3haz n ALA 966 Cb 0.42 -2.32 -0.05 0.00 0.00 0.00 0.00 19.45 17.50 3haz n ALA 966 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3haz n GLY 967 N 0.83 0.98 3.45 0.00 0.00 -1.26 -1.54 105.19 107.64 3haz n GLY 967 Ca 0.11 -0.30 -0.22 0.00 0.00 0.00 0.00 46.02 45.61 3haz n GLY 967 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3haz s GLY 968 N -2.68 2.17 0.00 -0.02 0.00 -1.14 -1.36 107.32 104.29 3haz s GLY 968 Ca 0.00 -1.79 0.27 0.00 0.00 0.00 0.00 44.72 43.19 3haz s GLY 968 CO 0.00 -1.78 1.93 -1.55 0.00 0.00 0.00 173.10 171.70 3haz n PRO 969 N -0.71 0.78 -0.09 2.90 -0.05 -1.26 -2.84 135.00 133.73 3haz n PRO 969 Ca -0.03 0.01 0.07 0.00 -0.05 0.00 0.00 63.50 63.49 3haz n PRO 969 Cb 0.66 -1.50 0.11 0.00 -0.05 0.00 0.00 33.50 32.72 3haz n PRO 969 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 175.50 176.17 3haz n HIS 970 N -1.03 0.23 -0.01 0.54 8.25 -1.26 -4.75 115.22 117.20 3haz n HIS 970 Ca 0.19 -0.21 -0.11 0.00 -0.26 0.00 0.00 57.72 57.32 3haz n HIS 970 Cb 0.10 -0.01 -0.09 0.00 1.12 0.00 0.00 29.99 31.11 3haz n HIS 970 CO 0.00 0.00 0.00 -0.92 0.64 0.00 0.00 176.34 176.06 3haz h TYR 971 N 2.50 -0.08 -0.63 4.41 3.20 -1.69 -3.37 116.97 121.30 3haz h TYR 971 Ca 0.00 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.86 3haz h TYR 971 Cb 0.64 0.03 -0.03 0.00 1.54 0.00 0.00 36.73 38.91 3haz h TYR 971 CO 0.12 0.50 0.38 -0.07 -1.64 0.00 0.00 178.16 177.44 3haz h LEU 972 N -0.83 0.76 -1.07 2.82 3.38 -1.85 -2.81 115.31 115.71 3haz h LEU 972 Ca -0.01 -0.06 0.26 0.00 0.09 0.00 0.00 57.88 58.16 3haz h LEU 972 Cb 0.62 -0.19 -0.12 0.00 0.09 0.00 0.00 40.66 41.06 3haz h LEU 972 CO 0.02 0.60 0.61 0.00 0.09 0.00 0.00 178.44 179.75 3haz h ALA 973 N 1.19 1.90 0.00 1.53 0.00 -1.90 0.19 119.26 122.18 3haz h ALA 973 Ca 0.22 0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.24 3haz h ALA 973 Cb -0.02 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 3haz h ALA 973 CO -0.04 -0.39 -0.08 -0.09 0.00 0.00 0.00 179.25 178.66 3haz h ARG 974 N 0.51 0.00 -0.01 0.00 9.65 -1.66 -1.41 114.38 121.46 3haz h ARG 974 Ca 0.65 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.53 3haz h ARG 974 Cb 1.36 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.94 3haz h ARG 974 CO -0.46 0.08 -0.05 1.19 2.80 0.00 0.00 179.97 183.53 3haz n PHE 975 N -3.43 0.00 -4.59 2.20 3.01 0.06 -4.90 117.46 109.80 3haz n PHE 975 Ca -0.02 0.00 -0.27 0.00 1.01 0.00 0.00 57.45 58.17 3haz n PHE 975 Cb 0.22 -0.06 -0.11 0.00 -0.01 0.00 0.00 39.48 39.52 3haz n PHE 975 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3haz s ALA 976 N -2.17 3.05 0.09 4.37 0.00 -0.53 -3.84 121.76 122.72 3haz s ALA 976 Ca 0.37 -2.26 0.09 0.00 0.00 0.00 0.00 51.96 50.17 3haz s ALA 976 Cb 0.21 0.21 -0.03 0.00 0.00 0.00 0.00 23.12 23.51 3haz s ALA 976 CO 0.40 -0.13 -0.24 -0.08 0.00 0.00 0.00 175.76 175.71 3haz s THR 977 N -2.78 2.02 0.29 0.00 -1.32 0.25 -4.90 115.64 109.20 3haz s THR 977 Ca 0.35 -1.55 -0.19 0.00 -1.21 0.00 0.00 61.69 59.10 3haz s THR 977 Cb 0.09 -1.78 -0.09 0.00 -1.51 0.00 0.00 72.50 69.22 3haz s THR 977 CO 0.17 0.13 0.77 -1.61 -2.21 0.00 0.00 174.62 171.87 3haz s GLU 978 N -1.72 4.18 -0.05 7.08 2.02 -1.26 -0.69 118.70 128.27 3haz s GLU 978 Ca 0.11 0.85 -0.00 0.00 0.02 0.00 0.00 54.97 55.95 3haz s GLU 978 Cb -0.10 -2.64 0.03 0.00 0.10 0.00 0.00 34.13 31.52 3haz s GLU 978 CO 0.04 0.26 0.00 -1.14 0.02 0.00 0.00 175.26 174.44 3haz s GLN 979 N -2.47 0.43 -0.20 1.61 0.74 -0.13 -4.93 119.66 114.71 3haz s GLN 979 Ca 0.49 0.10 -0.08 0.00 0.05 0.00 0.00 55.36 55.92 3haz s GLN 979 Cb -0.14 -0.70 -0.04 0.00 1.10 0.00 0.00 33.01 33.23 3haz s GLN 979 CO 0.19 -0.21 0.08 0.99 -0.55 0.00 0.00 175.29 175.80 3haz s THR 980 N 1.46 4.84 -0.21 -0.34 2.01 -1.26 -0.79 115.64 121.35 3haz s THR 980 Ca -0.03 -0.01 -0.03 0.00 0.31 0.00 0.00 61.69 61.93 3haz s THR 980 Cb -0.13 -3.21 -0.01 0.00 0.01 0.00 0.00 72.50 69.17 3haz s THR 980 CO -0.03 0.42 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.57 3haz s VAL 981 N 0.68 3.22 -0.20 3.82 1.01 -0.24 -4.97 120.40 123.72 3haz s VAL 981 Ca 0.04 -0.55 -0.01 0.00 0.00 0.00 0.00 61.98 61.47 3haz s VAL 981 Cb -0.13 -2.45 0.01 0.00 0.00 0.00 0.00 36.38 33.80 3haz s VAL 981 CO 0.02 0.44 -0.13 -0.89 0.00 0.00 0.00 175.10 174.54 3haz s THR 982 N 1.43 2.66 -0.14 3.92 2.01 -1.26 -1.53 115.64 122.72 3haz s THR 982 Ca 0.05 -0.74 0.02 0.00 0.31 0.00 0.00 61.69 61.34 3haz s THR 982 Cb -0.14 -2.17 0.01 0.00 0.01 0.00 0.00 72.50 70.21 3haz s THR 982 CO -0.04 0.49 -0.22 -0.63 -0.69 0.00 0.00 174.62 173.53 3haz s ILE 983 N 1.35 2.10 -0.51 1.82 1.01 -0.23 -4.97 121.20 121.76 3haz s ILE 983 Ca 0.05 -0.97 -0.28 0.00 0.00 0.00 0.00 60.65 59.45 3haz s ILE 983 Cb -0.14 -1.84 0.00 0.00 0.01 0.00 0.00 42.46 40.50 3haz s ILE 983 CO -0.08 0.55 1.56 0.21 0.00 0.00 0.00 174.94 177.17 3haz s ASN 984 N 0.78 5.97 0.00 3.58 2.47 -1.26 -1.10 114.94 125.38 3haz s ASN 984 Ca -0.08 0.55 0.25 0.00 0.42 0.00 0.00 52.86 54.01 3haz s ASN 984 Cb -0.16 -2.54 0.57 0.00 -1.45 0.00 0.00 41.25 37.68 3haz s ASN 984 CO -0.01 -1.78 1.48 0.35 -3.72 0.00 0.00 177.10 173.41 3haz n THR 985 N 7.05 0.03 -0.22 -5.21 -2.24 -0.33 -4.58 114.28 108.78 3haz n THR 985 Ca 0.16 -0.40 0.17 0.00 -2.27 0.00 0.00 64.05 61.71 3haz n THR 985 Cb 0.49 1.02 0.50 0.00 -2.10 0.00 0.00 70.33 70.25 3haz n THR 985 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3haz h ALA 986 N 4.53 2.15 0.00 6.98 0.00 -1.71 -0.95 119.26 130.27 3haz h ALA 986 Ca 0.00 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 3haz h ALA 986 Cb 0.77 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.52 3haz h ALA 986 CO 0.00 -0.40 -0.01 0.00 0.00 0.00 0.00 179.25 178.84 3haz h ALA 987 N 1.62 1.51 0.01 0.00 0.00 -1.92 -2.27 119.26 118.22 3haz h ALA 987 Ca 0.43 -0.01 -0.30 0.00 0.00 0.00 0.00 54.91 55.03 3haz h ALA 987 Cb 1.03 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.76 3haz h ALA 987 CO -0.16 0.01 -1.80 0.00 0.00 0.00 0.00 179.25 177.30 3haz n ALA 988 N -2.32 1.46 0.00 0.00 0.00 -0.37 -5.29 120.51 113.98 3haz n ALA 988 Ca -0.03 -0.81 0.00 0.00 0.00 0.00 0.00 53.44 52.60 3haz n ALA 988 Cb 0.09 -0.77 0.00 0.00 0.00 0.00 0.00 19.45 18.77 3haz n ALA 988 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91