#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3at1 s ASN 2 N 0.00 2.41 0.00 0.00 2.20 0.20 -4.92 114.94 114.82 3at1 s ASN 2 Ca 0.00 1.98 0.19 0.00 -0.94 0.00 0.00 52.86 54.08 3at1 s ASN 2 Cb 0.00 -2.49 1.12 0.00 -2.00 0.00 0.00 41.25 37.88 3at1 s ASN 2 CO 0.00 -3.39 1.54 -0.81 -2.94 0.00 0.00 177.10 171.50 3at1 n PRO 3 N -4.41 0.67 0.00 3.55 -0.04 -1.26 -2.66 135.00 130.85 3at1 n PRO 3 Ca 0.09 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.55 3at1 n PRO 3 Cb 0.53 -1.44 0.00 0.00 -0.04 0.00 0.00 33.50 32.55 3at1 n PRO 3 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3at1 n LEU 4 N -0.94 0.84 -4.71 1.53 4.77 -1.26 -4.98 117.00 112.26 3at1 n LEU 4 Ca 0.14 -0.92 -0.42 0.00 -0.03 0.00 0.00 56.01 54.78 3at1 n LEU 4 Cb 0.06 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.12 3at1 n LEU 4 CO 0.11 0.21 1.43 -0.47 -1.33 0.00 0.00 177.39 177.33 3at1 s TYR 5 N -0.16 2.54 -1.32 -1.77 6.14 -1.09 -1.49 117.35 120.21 3at1 s TYR 5 Ca 0.00 0.15 0.00 0.00 0.64 0.00 0.00 57.07 57.86 3at1 s TYR 5 Cb 0.00 -4.17 0.00 0.00 0.42 0.00 0.00 41.96 38.21 3at1 s TYR 5 CO 0.00 -4.63 0.00 0.94 0.64 0.00 0.00 175.55 172.50 3at1 n GLN 6 N 4.78 -1.67 -2.48 4.97 7.27 -0.05 -4.96 117.38 125.25 3at1 n GLN 6 Ca 0.17 0.93 -0.33 0.00 0.07 0.00 0.00 57.00 57.83 3at1 n GLN 6 Cb 0.36 -5.35 -0.03 0.00 2.41 0.00 0.00 30.24 27.64 3at1 n GLN 6 CO 0.00 0.00 0.00 0.15 0.07 0.00 0.00 177.06 177.28 3at1 s LYS 7 N -3.04 3.78 0.40 3.69 1.02 -0.55 -4.65 119.74 120.39 3at1 s LYS 7 Ca 0.00 1.27 -0.14 0.00 0.02 0.00 0.00 55.97 57.11 3at1 s LYS 7 Cb 0.00 -2.10 -0.08 0.00 -0.52 0.00 0.00 37.83 35.13 3at1 s LYS 7 CO 0.00 -0.43 0.82 -1.01 -0.92 0.00 0.00 175.35 173.81 3at1 s HIS 8 N -2.15 3.41 -0.46 3.18 3.76 -1.26 -4.65 115.29 117.12 3at1 s HIS 8 Ca 0.65 1.26 0.03 0.00 -0.15 0.00 0.00 55.06 56.84 3at1 s HIS 8 Cb -0.15 -2.59 0.14 0.00 1.11 0.00 0.00 32.58 31.09 3at1 s HIS 8 CO 0.23 -0.09 0.27 0.42 -0.85 0.00 0.00 174.74 174.72 3at1 s ILE 9 N -2.27 1.46 -0.28 0.60 -1.09 -0.36 -4.95 121.20 114.31 3at1 s ILE 9 Ca 0.55 -2.73 -0.13 0.00 -2.23 0.00 0.00 60.65 56.11 3at1 s ILE 9 Cb -0.10 -2.01 -0.12 0.00 -1.58 0.00 0.00 42.46 38.64 3at1 s ILE 9 CO 0.24 -0.94 -0.35 -0.38 -1.23 0.00 0.00 174.94 172.29 3at1 n ILE 10 N 3.33 1.52 -4.52 2.92 5.41 -1.26 -1.39 119.36 125.36 3at1 n ILE 10 Ca 0.12 -0.40 -0.23 0.00 1.00 0.00 0.00 62.75 63.24 3at1 n ILE 10 Cb 0.36 -1.84 -0.14 0.00 -0.71 0.00 0.00 39.64 37.30 3at1 n ILE 10 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 176.55 176.00 3at1 s SER 11 N -7.43 2.02 0.28 4.38 0.15 -1.26 -4.60 113.70 107.24 3at1 s SER 11 Ca -0.39 -0.46 -0.01 0.00 0.70 0.00 0.00 55.95 55.79 3at1 s SER 11 Cb 0.14 -0.16 0.40 0.00 -1.71 0.00 0.00 66.02 64.69 3at1 s SER 11 CO 0.50 0.11 1.83 -0.29 1.20 0.00 0.00 173.24 176.58 3at1 h ILE 12 N 4.48 1.23 -0.78 6.45 6.09 -1.95 -1.86 117.51 131.16 3at1 h ILE 12 Ca -0.39 -0.81 0.18 0.00 -1.37 0.00 0.00 64.86 62.46 3at1 h ILE 12 Cb 1.17 0.67 -0.05 0.00 0.47 0.00 0.00 36.82 39.07 3at1 h ILE 12 CO 0.45 0.30 0.53 -1.13 -3.07 0.00 0.00 178.15 175.23 3at1 h ASN 13 N 0.80 0.30 -0.13 2.19 -0.00 -1.94 0.28 115.58 117.08 3at1 h ASN 13 Ca 0.18 0.02 0.00 0.00 -0.00 0.00 0.00 56.30 56.50 3at1 h ASN 13 Cb 0.29 -0.03 0.00 0.00 -0.00 0.00 0.00 38.32 38.58 3at1 h ASN 13 CO -0.00 0.14 0.00 0.47 -0.00 0.00 0.00 177.43 178.04 3at1 n ASP 14 N -4.45 0.80 -4.47 1.15 8.00 -0.70 -4.87 116.55 112.01 3at1 n ASP 14 Ca 0.16 -1.85 -0.32 0.00 0.71 0.00 0.00 54.79 53.49 3at1 n ASP 14 Cb 0.64 -0.09 -0.13 0.00 -0.02 0.00 0.00 41.12 41.53 3at1 n ASP 14 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3at1 s LEU 15 N -1.19 2.70 0.56 0.64 1.43 0.98 -5.01 118.68 118.79 3at1 s LEU 15 Ca 0.17 -0.31 -0.06 0.00 -1.03 0.00 0.00 54.13 52.90 3at1 s LEU 15 Cb 0.08 -1.56 -0.01 0.00 0.03 0.00 0.00 46.19 44.73 3at1 s LEU 15 CO 0.12 0.29 0.87 -0.94 0.23 0.00 0.00 176.35 176.93 3at1 s SER 16 N -1.15 5.83 0.48 2.29 1.04 -1.26 -4.91 113.70 116.01 3at1 s SER 16 Ca 0.14 0.82 0.12 0.00 0.48 0.00 0.00 55.95 57.51 3at1 s SER 16 Cb -0.11 -1.91 1.10 0.00 0.10 0.00 0.00 66.02 65.21 3at1 s SER 16 CO 0.04 -0.91 2.11 -0.09 0.98 0.00 0.00 173.24 175.37 3at1 h ARG 17 N -0.07 0.22 0.30 4.02 2.43 -1.96 0.09 114.38 119.41 3at1 h ARG 17 Ca -0.46 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 58.68 3at1 h ARG 17 Cb 1.24 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.74 3at1 h ARG 17 CO 0.61 0.15 -0.14 -0.44 -1.51 0.00 0.00 179.97 178.63 3at1 h ASP 18 N 0.23 -0.34 -0.07 -3.80 3.32 -1.96 -1.35 116.42 112.45 3at1 h ASP 18 Ca 0.06 -0.10 -0.00 0.00 0.02 0.00 0.00 57.03 57.01 3at1 h ASP 18 Cb -0.02 0.09 -0.00 0.00 0.22 0.00 0.00 39.33 39.62 3at1 h ASP 18 CO -0.01 -0.10 0.04 0.44 -1.72 0.00 0.00 179.24 177.88 3at1 h ASP 19 N -0.57 0.09 -0.90 6.45 3.45 -1.67 -2.53 116.42 120.74 3at1 h ASP 19 Ca -0.04 -0.06 0.19 0.00 0.43 0.00 0.00 57.03 57.55 3at1 h ASP 19 Cb 0.42 -0.02 -0.11 0.00 -0.56 0.00 0.00 39.33 39.06 3at1 h ASP 19 CO 0.07 0.13 0.46 -0.07 -1.57 0.00 0.00 179.24 178.25 3at1 h LEU 20 N 0.05 0.49 -0.38 1.55 3.38 -1.07 0.13 115.31 119.46 3at1 h LEU 20 Ca 0.03 0.12 -0.18 0.00 0.09 0.00 0.00 57.88 57.94 3at1 h LEU 20 Cb 0.05 0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.86 3at1 h LEU 20 CO -0.00 0.12 -0.62 0.78 0.09 0.00 0.00 178.44 178.81 3at1 h ASN 21 N 0.54 0.75 -0.21 -0.43 -0.26 -1.02 -1.75 115.58 113.20 3at1 h ASN 21 Ca 0.54 -0.43 -0.13 0.00 -0.56 0.00 0.00 56.30 55.72 3at1 h ASN 21 Cb 0.92 -0.22 -0.01 0.00 -1.06 0.00 0.00 38.32 37.95 3at1 h ASN 21 CO -0.45 1.18 -0.32 0.25 -1.06 0.00 0.00 177.43 177.03 3at1 h LEU 22 N 0.49 0.74 0.07 1.61 5.85 -0.43 -1.46 115.31 122.18 3at1 h LEU 22 Ca -0.01 -0.30 0.00 0.00 0.84 0.00 0.00 57.88 58.41 3at1 h LEU 22 Cb 1.20 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 42.01 3at1 h LEU 22 CO 0.12 1.01 -0.05 0.58 -0.34 0.00 0.00 178.44 179.76 3at1 h VAL 23 N 0.60 0.88 -0.00 1.05 2.07 -0.67 -2.25 116.25 117.92 3at1 h VAL 23 Ca 0.07 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.59 3at1 h VAL 23 Cb 0.84 0.88 -0.00 0.00 -1.52 0.00 0.00 31.29 31.49 3at1 h VAL 23 CO 0.07 0.00 0.00 -0.07 0.02 0.00 0.00 177.57 177.59 3at1 h LEU 24 N -0.13 0.00 -0.01 2.57 4.07 -0.86 -1.90 115.31 119.06 3at1 h LEU 24 Ca -0.00 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.95 3at1 h LEU 24 Cb 0.12 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.86 3at1 h LEU 24 CO -0.01 0.00 -0.04 0.00 -1.08 0.00 0.00 178.44 177.31 3at1 h ALA 25 N 2.00 0.01 0.23 1.53 0.00 -1.00 -2.50 119.26 119.54 3at1 h ALA 25 Ca 0.00 -0.37 0.01 0.00 0.00 0.00 0.00 54.91 54.55 3at1 h ALA 25 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 3at1 h ALA 25 CO -0.00 -0.10 -0.29 1.15 0.00 0.00 0.00 179.25 180.00 3at1 h THR 26 N -0.65 0.37 -0.98 0.00 2.02 -1.18 -1.77 112.91 110.72 3at1 h THR 26 Ca -0.00 0.00 0.26 0.00 0.77 0.00 0.00 66.41 67.43 3at1 h THR 26 Cb 0.76 0.37 -0.18 0.00 -1.74 0.00 0.00 68.15 67.36 3at1 h THR 26 CO 0.01 0.00 -0.01 0.00 0.37 0.00 0.00 175.52 175.89 3at1 h ALA 27 N 0.03 1.08 -0.59 6.16 0.00 -1.37 0.23 119.26 124.80 3at1 h ALA 27 Ca 0.00 0.34 -0.00 0.00 0.00 0.00 0.00 54.91 55.25 3at1 h ALA 27 Cb 0.56 0.61 -0.03 0.00 0.00 0.00 0.00 17.79 18.93 3at1 h ALA 27 CO -0.10 -0.54 0.36 0.00 0.00 0.00 0.00 179.25 178.98 3at1 h ALA 28 N 1.97 0.75 0.77 0.00 0.00 -0.92 0.24 119.26 122.07 3at1 h ALA 28 Ca 0.57 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 55.38 3at1 h ALA 28 Cb 1.13 -0.24 0.01 0.00 0.00 0.00 0.00 17.79 18.69 3at1 h ALA 28 CO -0.92 0.21 -0.38 0.87 0.00 0.00 0.00 179.25 179.04 3at1 h LYS 29 N 0.79 -1.01 -0.80 0.00 1.57 0.20 -0.24 116.57 117.09 3at1 h LYS 29 Ca 0.21 0.07 0.01 0.00 -1.87 0.00 0.00 60.65 59.07 3at1 h LYS 29 Cb -0.04 0.23 -0.04 0.00 0.08 0.00 0.00 32.23 32.46 3at1 h LYS 29 CO -0.04 -0.67 0.53 -0.07 -0.57 0.00 0.00 179.45 178.63 3at1 h LEU 30 N -1.04 0.90 -0.19 2.94 3.38 -0.94 0.32 115.31 120.68 3at1 h LEU 30 Ca -0.11 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.84 3at1 h LEU 30 Cb 0.80 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 3at1 h LEU 30 CO 0.17 0.65 0.12 0.50 0.09 0.00 0.00 178.44 179.97 3at1 h LYS 31 N 1.06 0.25 -0.40 1.13 3.64 -0.35 -2.38 116.57 119.52 3at1 h LYS 31 Ca 0.30 -0.02 -0.08 0.00 -1.27 0.00 0.00 60.65 59.57 3at1 h LYS 31 Cb -0.09 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 31.66 3at1 h LYS 31 CO -0.07 0.19 -0.10 0.00 -2.27 0.00 0.00 179.45 177.21 3at1 h ALA 32 N 1.05 1.08 -2.70 5.00 0.00 0.77 -3.42 119.26 121.04 3at1 h ALA 32 Ca 0.07 -0.30 -0.42 0.00 0.00 0.00 0.00 54.91 54.26 3at1 h ALA 32 Cb -0.00 -0.17 -0.38 0.00 0.00 0.00 0.00 17.79 17.24 3at1 h ALA 32 CO -0.01 0.57 -0.71 -0.80 0.00 0.00 0.00 179.25 178.30 3at1 s ASN 33 N -6.71 2.35 0.06 0.00 0.01 0.93 -5.09 114.94 106.49 3at1 s ASN 33 Ca -0.09 -0.74 -0.35 0.00 -0.71 0.00 0.00 52.86 50.98 3at1 s ASN 33 Cb 0.14 0.00 -0.14 0.00 0.41 0.00 0.00 41.25 41.67 3at1 s ASN 33 CO 0.81 -0.38 1.63 -2.65 -1.51 0.00 0.00 177.10 175.00 3at1 n PRO 34 N 5.29 1.94 -3.74 -0.60 -0.02 -1.16 -4.40 135.00 132.31 3at1 n PRO 34 Ca -0.06 0.70 -0.30 0.00 -2.02 0.00 0.00 63.50 61.83 3at1 n PRO 34 Cb 0.47 -2.47 -0.10 0.00 -0.02 0.00 0.00 33.50 31.38 3at1 n PRO 34 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 3at1 n GLN 35 N 4.23 2.22 0.00 -0.52 6.02 -1.26 -4.97 117.38 123.10 3at1 n GLN 35 Ca 0.19 -4.52 0.00 0.00 -0.01 0.00 0.00 57.00 52.66 3at1 n GLN 35 Cb 0.26 -2.32 0.00 0.00 1.02 0.00 0.00 30.24 29.20 3at1 n GLN 35 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 3at1 n PRO 36 N 1.84 0.00 -0.30 -1.09 -0.04 -1.25 -1.99 135.00 132.17 3at1 n PRO 36 Ca 0.22 0.14 0.00 0.00 -0.04 0.00 0.00 63.50 63.83 3at1 n PRO 36 Cb 0.36 -1.53 0.01 0.00 -0.04 0.00 0.00 33.50 32.30 3at1 n PRO 36 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 3at1 n GLU 37 N -1.09 0.14 -0.03 0.54 4.71 -1.25 -3.13 120.64 120.53 3at1 n GLU 37 Ca 0.00 -0.92 0.07 0.00 -0.01 0.00 0.00 57.16 56.29 3at1 n GLU 37 Cb 0.03 -0.56 0.45 0.00 -1.01 0.00 0.00 31.44 30.35 3at1 n GLU 37 CO 0.00 0.00 0.00 1.25 0.09 0.00 0.00 177.13 178.47 3at1 h LEU 38 N 0.00 0.45 -3.05 -4.62 5.85 -0.94 -2.95 115.31 110.04 3at1 h LEU 38 Ca 0.00 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3at1 h LEU 38 Cb 1.22 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 42.15 3at1 h LEU 38 CO 0.00 0.30 0.00 0.18 -0.34 0.00 0.00 178.44 178.58 3at1 n LEU 39 N -4.47 2.73 -4.48 2.25 4.77 0.93 -5.03 117.00 113.70 3at1 n LEU 39 Ca 0.06 -2.69 -0.51 0.00 -0.03 0.00 0.00 56.01 52.83 3at1 n LEU 39 Cb 0.17 -0.34 -0.05 0.00 -2.33 0.00 0.00 43.42 40.87 3at1 n LEU 39 CO 0.35 0.66 0.34 1.17 -1.33 0.00 0.00 177.39 178.57 3at1 n LYS 40 N -0.75 0.32 -1.60 3.23 4.81 -1.12 -1.76 118.16 121.29 3at1 n LYS 40 Ca 0.13 0.11 -0.14 0.00 -0.87 0.00 0.00 58.31 57.55 3at1 n LYS 40 Cb 0.59 -1.38 -0.05 0.00 0.02 0.00 0.00 35.03 34.21 3at1 n LYS 40 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 3at1 n HIS 41 N 0.73 -0.16 -4.15 5.64 8.25 -1.26 -4.93 115.22 119.35 3at1 n HIS 41 Ca 0.17 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.32 3at1 n HIS 41 Cb 0.21 -2.55 -0.08 0.00 1.12 0.00 0.00 29.99 28.69 3at1 n HIS 41 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 3at1 s LYS 42 N -3.52 2.72 -0.11 -0.41 3.01 -0.72 -5.01 119.74 115.69 3at1 s LYS 42 Ca 0.00 -0.72 0.02 0.00 -1.01 0.00 0.00 55.97 54.26 3at1 s LYS 42 Cb 0.00 -2.64 0.01 0.00 -1.01 0.00 0.00 37.83 34.19 3at1 s LYS 42 CO 0.00 0.57 -0.19 0.08 0.51 0.00 0.00 175.35 176.33 3at1 s VAL 43 N -1.27 1.76 -0.10 3.17 1.01 -1.26 -0.90 120.40 122.81 3at1 s VAL 43 Ca 0.25 -0.81 0.03 0.00 0.00 0.00 0.00 61.98 61.45 3at1 s VAL 43 Cb -0.12 -1.57 0.00 0.00 0.00 0.00 0.00 36.38 34.70 3at1 s VAL 43 CO 0.17 0.49 -0.21 -0.63 0.00 0.00 0.00 175.10 174.92 3at1 s ILE 44 N 0.77 1.89 -0.06 2.22 1.01 0.16 -0.05 121.20 127.14 3at1 s ILE 44 Ca -0.10 -0.91 -0.30 0.00 0.00 0.00 0.00 60.65 59.34 3at1 s ILE 44 Cb -0.16 -1.65 -0.04 0.00 0.01 0.00 0.00 42.46 40.62 3at1 s ILE 44 CO 0.01 0.52 1.29 0.00 0.00 0.00 0.00 174.94 176.76 3at1 s ALA 45 N 0.51 3.56 -0.48 9.38 0.00 -0.39 -1.19 121.76 133.15 3at1 s ALA 45 Ca -0.16 0.67 -0.15 0.00 0.00 0.00 0.00 51.96 52.33 3at1 s ALA 45 Cb -0.17 -3.57 0.09 0.00 0.00 0.00 0.00 23.12 19.47 3at1 s ALA 45 CO 0.06 -0.91 0.40 -1.12 0.00 0.00 0.00 175.76 174.18 3at1 s SER 46 N 1.77 6.09 -0.55 0.00 0.01 0.35 -1.84 113.70 119.52 3at1 s SER 46 Ca 0.59 -1.45 -0.09 0.00 1.31 0.00 0.00 55.95 56.31 3at1 s SER 46 Cb -0.26 -2.16 0.14 0.00 0.21 0.00 0.00 66.02 63.95 3at1 s SER 46 CO 0.22 -0.68 0.43 0.00 0.41 0.00 0.00 173.24 173.62 3at1 s PHE 48 N 0.90 3.30 0.02 0.00 0.40 0.06 -0.48 117.98 122.19 3at1 s PHE 48 Ca 0.10 -1.33 0.02 0.00 -0.60 0.00 0.00 56.93 55.12 3at1 s PHE 48 Cb -0.23 -2.77 -0.25 0.00 0.51 0.00 0.00 43.02 40.28 3at1 s PHE 48 CO -0.03 -0.78 0.92 0.74 0.70 0.00 0.00 175.22 176.77 3at1 h PHE 49 N 8.42 0.27 -3.20 0.36 -1.00 -1.22 -1.24 116.94 119.34 3at1 h PHE 49 Ca -0.24 -0.20 -0.65 0.00 2.81 0.00 0.00 57.97 59.69 3at1 h PHE 49 Cb 1.09 -0.01 -0.15 0.00 3.61 0.00 0.00 35.95 40.49 3at1 h PHE 49 CO 0.60 1.23 -0.58 -2.00 -1.61 0.00 0.00 178.31 175.95 3at1 s GLU 50 N -2.63 3.48 0.14 1.51 2.12 -1.11 -3.13 118.70 119.08 3at1 s GLU 50 Ca -0.06 -0.35 0.07 0.00 0.36 0.00 0.00 54.97 54.99 3at1 s GLU 50 Cb 0.08 -3.02 -0.04 0.00 0.26 0.00 0.00 34.13 31.41 3at1 s GLU 50 CO 0.84 0.52 -0.01 0.00 -0.54 0.00 0.00 175.26 176.07 3at1 s ALA 51 N -0.34 3.20 -0.30 6.30 0.00 -0.81 -4.65 121.76 125.16 3at1 s ALA 51 Ca 0.08 -1.29 0.01 0.00 0.00 0.00 0.00 51.96 50.76 3at1 s ALA 51 Cb -0.12 -1.04 0.19 0.00 0.00 0.00 0.00 23.12 22.15 3at1 s ALA 51 CO 0.02 0.56 0.65 -1.12 0.00 0.00 0.00 175.76 175.86 3at1 s SER 52 N -2.70 -1.40 0.00 0.00 0.01 -1.26 -5.02 113.70 103.33 3at1 s SER 52 Ca 0.26 0.47 0.00 0.00 1.31 0.00 0.00 55.95 57.99 3at1 s SER 52 Cb -0.10 2.01 0.00 0.00 0.21 0.00 0.00 66.02 68.14 3at1 s SER 52 CO 0.18 -0.26 0.05 0.41 0.41 0.00 0.00 173.24 174.03 3at1 n THR 53 N 5.41 0.00 0.08 1.44 -1.04 -1.26 -1.80 114.28 117.11 3at1 n THR 53 Ca 0.02 0.19 -0.13 0.00 -2.04 0.00 0.00 64.05 62.09 3at1 n THR 53 Cb 0.53 -0.32 -0.08 0.00 -1.82 0.00 0.00 70.33 68.64 3at1 n THR 53 CO 0.00 0.00 0.00 0.03 -0.64 0.00 0.00 175.07 174.46 3at1 h ARG 54 N 0.00 -0.12 -0.86 -2.82 3.08 -1.99 0.59 114.38 112.25 3at1 h ARG 54 Ca 0.00 0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.04 3at1 h ARG 54 Cb 0.00 0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.04 3at1 h ARG 54 CO 0.00 -0.01 0.47 1.15 -1.07 0.00 0.00 179.97 180.51 3at1 h THR 55 N -0.21 1.25 0.81 2.04 2.02 -1.97 0.28 112.91 117.13 3at1 h THR 55 Ca -0.01 -0.63 -0.04 0.00 0.77 0.00 0.00 66.41 66.50 3at1 h THR 55 Cb 0.17 0.09 0.01 0.00 -1.74 0.00 0.00 68.15 66.68 3at1 h THR 55 CO 0.02 0.28 -0.39 -0.09 0.37 0.00 0.00 175.52 175.72 3at1 h ARG 56 N 1.21 -1.05 -0.42 6.66 2.43 -1.25 -1.71 114.38 120.24 3at1 h ARG 56 Ca 0.30 0.07 -0.05 0.00 -0.81 0.00 0.00 59.98 59.50 3at1 h ARG 56 Cb 0.03 0.24 -0.02 0.00 -0.42 0.00 0.00 29.97 29.80 3at1 h ARG 56 CO -0.05 -0.70 0.06 -0.07 -1.51 0.00 0.00 179.97 177.71 3at1 h LEU 57 N -1.27 0.61 0.26 3.80 3.38 -0.86 -0.25 115.31 120.97 3at1 h LEU 57 Ca -0.11 -0.11 0.01 0.00 0.09 0.00 0.00 57.88 57.76 3at1 h LEU 57 Cb 0.84 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.40 3at1 h LEU 57 CO 0.18 0.64 -0.34 -1.28 0.09 0.00 0.00 178.44 177.73 3at1 h SER 58 N 0.63 -0.95 -0.09 -0.43 0.87 -0.49 -0.28 113.55 112.80 3at1 h SER 58 Ca 0.14 0.09 -0.01 0.00 -1.23 0.00 0.00 61.79 60.78 3at1 h SER 58 Cb 0.31 0.34 -0.00 0.00 -0.44 0.00 0.00 62.40 62.60 3at1 h SER 58 CO 0.00 -0.46 0.02 -0.26 -0.53 0.00 0.00 176.83 175.60 3at1 h PHE 59 N -0.66 0.16 -0.76 2.24 -1.00 -1.10 -0.05 116.94 115.77 3at1 h PHE 59 Ca -0.00 -0.02 0.07 0.00 2.81 0.00 0.00 57.97 60.82 3at1 h PHE 59 Cb 0.63 -0.04 -0.05 0.00 3.61 0.00 0.00 35.95 40.10 3at1 h PHE 59 CO -0.24 0.34 0.50 1.96 -1.61 0.00 0.00 178.31 179.26 3at1 h GLN 60 N -0.07 0.77 -0.20 1.51 4.20 -1.10 -0.16 115.11 120.06 3at1 h GLN 60 Ca 0.03 -0.05 -0.14 0.00 0.06 0.00 0.00 58.65 58.55 3at1 h GLN 60 Cb 0.27 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 27.86 3at1 h GLN 60 CO 0.00 0.51 -0.46 1.15 -0.67 0.00 0.00 178.83 179.36 3at1 h THR 61 N 0.79 1.31 -0.84 -0.54 2.02 -0.73 -1.73 112.91 113.20 3at1 h THR 61 Ca 0.33 -1.65 -0.02 0.00 0.77 0.00 0.00 66.41 65.83 3at1 h THR 61 Cb 0.26 1.65 -0.04 0.00 -1.74 0.00 0.00 68.15 68.28 3at1 h THR 61 CO -0.11 0.52 0.45 0.28 0.37 0.00 0.00 175.52 177.02 3at1 h SER 62 N 0.42 1.05 -0.44 4.18 0.02 -0.16 0.17 113.55 118.80 3at1 h SER 62 Ca 0.03 -0.10 -0.05 0.00 -0.84 0.00 0.00 61.79 60.83 3at1 h SER 62 Cb 0.96 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 63.22 3at1 h SER 62 CO 0.09 0.85 0.07 0.24 -1.14 0.00 0.00 176.83 176.93 3at1 h MET 63 N 1.17 0.72 -0.49 3.45 2.07 -0.83 -2.49 114.93 118.54 3at1 h MET 63 Ca 0.29 -0.20 -0.09 0.00 -2.07 0.00 0.00 59.70 57.63 3at1 h MET 63 Cb 0.04 -0.08 -0.02 0.00 -1.87 0.00 0.00 31.60 29.67 3at1 h MET 63 CO -0.05 0.76 -0.06 0.45 1.07 0.00 0.00 176.91 179.08 3at1 h HIS 64 N 0.58 1.00 0.00 -0.22 3.86 -0.95 -0.43 115.15 118.99 3at1 h HIS 64 Ca 0.13 -0.20 0.00 0.00 -1.16 0.00 0.00 60.37 59.15 3at1 h HIS 64 Cb 0.38 -0.25 0.00 0.00 1.06 0.00 0.00 27.41 28.60 3at1 h HIS 64 CO 0.03 0.96 0.00 0.00 0.86 0.00 0.00 177.93 179.77 3at1 h ARG 65 N 0.76 0.00 -0.04 2.45 -0.00 -0.37 -2.15 114.38 115.03 3at1 h ARG 65 Ca 0.13 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.61 3at1 h ARG 65 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.57 3at1 h ARG 65 CO 0.04 0.00 0.00 1.28 0.00 0.00 0.00 179.97 181.29 3at1 n LEU 66 N -2.65 2.21 0.00 3.04 4.77 -0.96 -3.97 117.00 119.45 3at1 n LEU 66 Ca -0.02 -1.07 0.00 0.00 -0.03 0.00 0.00 56.01 54.90 3at1 n LEU 66 Cb 0.08 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 3at1 n LEU 66 CO 0.16 0.42 0.00 0.61 -1.33 0.00 0.00 177.39 177.25 3at1 n GLY 67 N 0.77 3.27 3.71 -0.72 0.00 -0.81 -0.05 105.19 111.37 3at1 n GLY 67 Ca 0.08 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.79 3at1 n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3at1 s ALA 68 N -2.93 1.86 0.11 4.61 0.00 -0.22 -4.12 121.76 121.07 3at1 s ALA 68 Ca 0.00 0.58 -0.06 0.00 0.00 0.00 0.00 51.96 52.49 3at1 s ALA 68 Cb 0.00 -3.41 -0.05 0.00 0.00 0.00 0.00 23.12 19.66 3at1 s ALA 68 CO 0.00 -2.25 0.36 -1.12 0.00 0.00 0.00 175.76 172.75 3at1 s SER 69 N -2.69 6.51 -0.09 0.00 0.01 -0.08 -4.28 113.70 113.08 3at1 s SER 69 Ca 0.67 0.60 0.01 0.00 1.31 0.00 0.00 55.95 58.54 3at1 s SER 69 Cb -0.23 -2.10 -0.02 0.00 0.21 0.00 0.00 66.02 63.88 3at1 s SER 69 CO 0.54 0.11 -0.12 -0.69 0.41 0.00 0.00 173.24 173.49 3at1 s VAL 70 N -1.56 3.23 0.25 3.43 1.01 -1.26 0.40 120.40 125.90 3at1 s VAL 70 Ca 0.37 -0.63 0.12 0.00 0.00 0.00 0.00 61.98 61.84 3at1 s VAL 70 Cb -0.13 -2.32 -0.05 0.00 0.00 0.00 0.00 36.38 33.89 3at1 s VAL 70 CO 0.22 0.56 -0.21 0.68 0.00 0.00 0.00 175.10 176.35 3at1 s VAL 71 N -0.25 2.43 -2.10 2.92 -7.23 -0.33 -4.91 120.40 110.93 3at1 s VAL 71 Ca 0.02 -2.28 0.00 0.00 -1.81 0.00 0.00 61.98 57.91 3at1 s VAL 71 Cb -0.13 -2.24 0.00 0.00 0.56 0.00 0.00 36.38 34.57 3at1 s VAL 71 CO 0.03 -0.30 0.00 0.61 -0.31 0.00 0.00 175.10 175.12 3at1 n GLY 72 N -0.31 -0.58 3.66 2.32 0.00 -1.26 -0.49 105.19 108.52 3at1 n GLY 72 Ca -0.08 -0.70 -0.03 0.00 0.00 0.00 0.00 46.02 45.21 3at1 n GLY 72 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3at1 s PHE 73 N -3.34 -0.15 0.20 1.61 -0.12 0.02 -4.96 117.98 111.24 3at1 s PHE 73 Ca 0.00 -0.05 0.03 0.00 -0.05 0.00 0.00 56.93 56.86 3at1 s PHE 73 Cb 0.00 0.59 -0.05 0.00 -0.63 0.00 0.00 43.02 42.93 3at1 s PHE 73 CO 0.00 -0.59 -0.01 -1.12 -0.05 0.00 0.00 175.22 173.45 3at1 s SER 74 N -2.79 1.50 -0.01 1.98 0.01 -1.17 -0.76 113.70 112.46 3at1 s SER 74 Ca 0.11 -1.18 -0.29 0.00 1.31 0.00 0.00 55.95 55.90 3at1 s SER 74 Cb 0.00 0.07 0.10 0.00 0.21 0.00 0.00 66.02 66.40 3at1 s SER 74 CO -0.02 -0.53 1.28 -0.62 0.41 0.00 0.00 173.24 173.76 3at1 s ASP 75 N -3.23 -0.01 0.00 2.44 -1.08 -0.48 -4.84 116.67 109.47 3at1 s ASP 75 Ca 0.25 -0.20 0.00 0.00 -0.52 0.00 0.00 52.55 52.09 3at1 s ASP 75 Cb 0.06 0.16 0.00 0.00 -1.46 0.00 0.00 42.92 41.68 3at1 s ASP 75 CO 0.06 -0.32 0.00 -1.20 0.52 0.00 0.00 175.17 174.23 3at1 n SER 76 N -0.87 0.00 -0.11 -0.34 7.64 -1.18 -1.92 113.62 116.83 3at1 n SER 76 Ca -0.01 0.00 -0.21 0.00 1.01 0.00 0.00 58.87 59.66 3at1 n SER 76 Cb 0.60 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.72 3at1 n SER 76 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3at1 n ALA 77 N 0.00 0.93 0.00 -0.43 0.00 -1.26 -5.12 120.51 114.63 3at1 n ALA 77 Ca 0.00 -0.80 0.00 0.00 0.00 0.00 0.00 53.44 52.64 3at1 n ALA 77 Cb 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 19.45 19.36 3at1 n ALA 77 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3at1 n ASN 78 N -4.39 0.00 0.00 0.00 2.85 -1.26 -5.10 115.26 107.36 3at1 n ASN 78 Ca -0.35 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.12 3at1 n ASN 78 Cb 0.68 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.70 3at1 n ASN 78 CO 0.00 0.00 0.00 0.35 -2.11 0.00 0.00 177.26 175.50 3at1 n THR 79 N 0.97 0.00 -3.63 -0.44 -2.24 -1.26 -4.74 114.28 102.94 3at1 n THR 79 Ca 0.00 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.64 3at1 n THR 79 Cb 0.00 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.17 3at1 n THR 79 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 3at1 s SER 80 N 0.00 -0.38 -0.14 3.42 0.01 -1.26 -5.09 113.70 110.26 3at1 s SER 80 Ca 0.00 0.20 -0.03 0.00 1.31 0.00 0.00 55.95 57.42 3at1 s SER 80 Cb 0.00 0.45 -0.04 0.00 0.21 0.00 0.00 66.02 66.64 3at1 s SER 80 CO 0.00 -0.63 0.35 0.18 0.41 0.00 0.00 173.24 173.55 3at1 n LEU 81 N 0.68 -0.03 0.00 2.44 7.99 -1.26 -4.79 117.00 122.04 3at1 n LEU 81 Ca -0.19 -0.00 0.00 0.00 -0.01 0.00 0.00 56.01 55.81 3at1 n LEU 81 Cb 0.59 -0.11 0.00 0.00 -0.11 0.00 0.00 43.42 43.79 3at1 n LEU 81 CO 0.21 -0.13 0.00 0.61 -1.51 0.00 0.00 177.39 176.57 3at1 n GLY 82 N 0.86 1.21 0.00 -0.72 0.00 -1.26 -4.88 105.19 100.40 3at1 n GLY 82 Ca 0.09 0.48 0.00 0.00 0.00 0.00 0.00 46.02 46.59 3at1 n GLY 82 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3at1 n LYS 83 N 0.00 0.00 -2.86 1.61 0.00 -1.26 -4.97 118.16 110.69 3at1 n LYS 83 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 58.31 58.12 3at1 n LYS 83 Cb 0.00 0.00 0.04 0.00 0.00 0.00 0.00 35.03 35.07 3at1 n LYS 83 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 3at1 s LYS 84 N 0.00 2.54 0.00 1.64 1.02 -1.26 -4.86 119.74 118.82 3at1 s LYS 84 Ca 0.00 -1.15 0.00 0.00 0.02 0.00 0.00 55.97 54.84 3at1 s LYS 84 Cb 0.00 -2.61 0.00 0.00 -0.52 0.00 0.00 37.83 34.70 3at1 s LYS 84 CO 0.00 -0.62 0.00 0.41 -0.92 0.00 0.00 175.35 174.22 3at1 n GLY 85 N -2.16 0.00 3.57 -3.33 0.00 -1.26 -4.56 105.19 97.45 3at1 n GLY 85 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 3at1 n GLY 85 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3at1 s GLU 86 N 0.00 3.39 0.46 1.61 2.56 -1.26 -4.96 118.70 120.49 3at1 s GLU 86 Ca 0.00 0.06 -0.14 0.00 0.00 0.00 0.00 54.97 54.89 3at1 s GLU 86 Cb 0.00 -4.08 -0.08 0.00 2.00 0.00 0.00 34.13 31.98 3at1 s GLU 86 CO 0.00 -1.87 0.89 0.95 -0.56 0.00 0.00 175.26 174.67 3at1 s THR 87 N 5.27 4.63 0.37 -1.70 -4.23 -1.26 -4.07 115.64 114.64 3at1 s THR 87 Ca 0.40 0.99 0.04 0.00 -1.18 0.00 0.00 61.69 61.94 3at1 s THR 87 Cb -0.08 -3.71 0.27 0.00 1.34 0.00 0.00 72.50 70.32 3at1 s THR 87 CO 0.21 -0.58 2.02 0.25 -0.54 0.00 0.00 174.62 175.98 3at1 h LEU 88 N 1.17 0.65 -0.39 4.79 5.85 -1.98 -0.37 115.31 125.04 3at1 h LEU 88 Ca -0.47 -0.01 0.04 0.00 0.84 0.00 0.00 57.88 58.28 3at1 h LEU 88 Cb 1.18 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 42.01 3at1 h LEU 88 CO 0.63 0.47 0.15 0.00 -0.34 0.00 0.00 178.44 179.34 3at1 h ALA 89 N 1.64 0.46 0.00 1.25 0.00 -1.94 0.10 119.26 120.77 3at1 h ALA 89 Ca 0.22 0.04 -0.08 0.00 0.00 0.00 0.00 54.91 55.09 3at1 h ALA 89 Cb -0.05 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3at1 h ALA 89 CO -0.05 -0.23 -0.37 -0.44 0.00 0.00 0.00 179.25 178.16 3at1 h ASP 90 N 0.32 0.00 0.01 0.00 3.45 -1.50 0.29 116.42 119.00 3at1 h ASP 90 Ca 0.17 0.00 -0.26 0.00 0.43 0.00 0.00 57.03 57.37 3at1 h ASP 90 Cb 0.14 0.00 0.02 0.00 -0.56 0.00 0.00 39.33 38.93 3at1 h ASP 90 CO -0.16 0.37 -1.03 0.74 -1.57 0.00 0.00 179.24 177.58 3at1 h THR 91 N 0.00 1.29 -0.04 0.35 2.02 -0.70 -3.08 112.91 112.74 3at1 h THR 91 Ca -0.00 -2.24 -0.17 0.00 0.77 0.00 0.00 66.41 64.76 3at1 h THR 91 Cb 0.80 2.41 0.01 0.00 -1.74 0.00 0.00 68.15 69.63 3at1 h THR 91 CO 0.05 0.69 -0.65 0.40 0.37 0.00 0.00 175.52 176.38 3at1 h ILE 92 N 0.36 1.38 -0.91 3.11 1.08 -0.54 -0.59 117.51 121.41 3at1 h ILE 92 Ca -0.13 -2.02 0.25 0.00 -0.39 0.00 0.00 64.86 62.57 3at1 h ILE 92 Cb 1.69 2.42 -0.15 0.00 -3.07 0.00 0.00 36.82 37.70 3at1 h ILE 92 CO 0.20 0.60 0.20 0.28 -0.69 0.00 0.00 178.15 178.74 3at1 h SER 93 N 0.06 -0.10 0.18 1.72 0.02 -0.98 0.22 113.55 114.66 3at1 h SER 93 Ca -0.07 0.22 -0.33 0.00 -0.84 0.00 0.00 61.79 60.77 3at1 h SER 93 Cb 1.33 0.32 0.01 0.00 0.14 0.00 0.00 62.40 64.20 3at1 h SER 93 CO 0.13 -0.22 -1.65 0.58 -1.14 0.00 0.00 176.83 174.53 3at1 h VAL 94 N 0.14 0.99 -0.05 2.27 2.07 -1.50 -3.31 116.25 116.86 3at1 h VAL 94 Ca 0.58 -2.51 -0.11 0.00 0.82 0.00 0.00 66.70 65.49 3at1 h VAL 94 Cb 1.20 2.79 -0.01 0.00 -1.52 0.00 0.00 31.29 33.75 3at1 h VAL 94 CO -0.73 0.83 -0.46 0.40 0.02 0.00 0.00 177.57 177.63 3at1 h ILE 95 N 0.02 1.33 0.00 4.57 2.04 -0.25 -1.44 117.51 123.78 3at1 h ILE 95 Ca -0.33 -1.60 0.00 0.00 1.00 0.00 0.00 64.86 63.93 3at1 h ILE 95 Cb 2.03 1.80 0.00 0.00 -0.74 0.00 0.00 36.82 39.92 3at1 h ILE 95 CO 0.16 0.47 0.00 -1.54 0.00 0.00 0.00 178.15 177.24 3at1 n SER 96 N -3.99 0.00 0.02 1.72 3.41 0.68 -0.03 113.62 115.44 3at1 n SER 96 Ca -0.02 -0.60 0.12 0.00 -0.26 0.00 0.00 58.87 58.11 3at1 n SER 96 Cb 0.49 -0.03 0.21 0.00 -0.26 0.00 0.00 64.21 64.62 3at1 n SER 96 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 3at1 n THR 97 N -1.03 0.14 -0.07 6.66 -1.04 -0.54 -4.53 114.28 113.86 3at1 n THR 97 Ca 0.16 -0.12 -0.11 0.00 -2.04 0.00 0.00 64.05 61.94 3at1 n THR 97 Cb 0.09 0.10 -0.06 0.00 -1.82 0.00 0.00 70.33 68.64 3at1 n THR 97 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 3at1 n TYR 98 N -1.75 0.00 -4.25 -1.42 4.01 0.96 -5.10 117.16 109.62 3at1 n TYR 98 Ca 0.04 0.00 -0.25 0.00 -0.16 0.00 0.00 57.90 57.53 3at1 n TYR 98 Cb 0.38 -0.51 -0.08 0.00 -0.31 0.00 0.00 39.34 38.82 3at1 n TYR 98 CO 0.00 0.00 0.00 0.14 -0.46 0.00 0.00 176.86 176.54 3at1 s VAL 99 N -2.26 2.36 -0.97 -0.72 -7.23 -1.03 -4.98 120.40 105.57 3at1 s VAL 99 Ca -0.19 -1.80 0.26 0.00 -1.81 0.00 0.00 61.98 58.44 3at1 s VAL 99 Cb 0.06 -2.96 0.07 0.00 0.56 0.00 0.00 36.38 34.11 3at1 s VAL 99 CO 0.29 -0.05 1.53 0.47 -0.31 0.00 0.00 175.10 177.02 3at1 n ASP 100 N -1.13 0.40 -3.61 4.85 8.00 0.93 -4.85 116.55 121.14 3at1 n ASP 100 Ca -0.02 -0.04 -0.08 0.00 0.71 0.00 0.00 54.79 55.35 3at1 n ASP 100 Cb 0.64 0.06 -0.06 0.00 -0.02 0.00 0.00 41.12 41.75 3at1 n ASP 100 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3at1 s ALA 101 N -3.01 -2.00 -0.15 2.24 0.00 -1.25 -4.55 121.76 113.04 3at1 s ALA 101 Ca 0.11 1.71 0.02 0.00 0.00 0.00 0.00 51.96 53.80 3at1 s ALA 101 Cb 0.17 -1.09 0.01 0.00 0.00 0.00 0.00 23.12 22.22 3at1 s ALA 101 CO 0.66 -0.26 -0.21 0.42 0.00 0.00 0.00 175.76 176.37 3at1 s ILE 102 N -0.71 2.10 -0.20 0.00 1.01 -0.81 -1.26 121.20 121.33 3at1 s ILE 102 Ca 0.02 -0.96 -0.07 0.00 0.00 0.00 0.00 60.65 59.64 3at1 s ILE 102 Cb -0.02 -1.85 -0.03 0.00 0.01 0.00 0.00 42.46 40.57 3at1 s ILE 102 CO -0.03 0.55 0.05 -0.69 0.00 0.00 0.00 174.94 174.81 3at1 s VAL 103 N 0.90 4.43 -0.05 2.92 1.01 -0.77 -0.48 120.40 128.37 3at1 s VAL 103 Ca -0.05 -0.15 0.01 0.00 0.00 0.00 0.00 61.98 61.80 3at1 s VAL 103 Cb -0.15 -3.02 0.02 0.00 0.00 0.00 0.00 36.38 33.23 3at1 s VAL 103 CO -0.04 0.42 -0.06 0.00 0.00 0.00 0.00 175.10 175.42 3at1 s MET 104 N 0.87 1.00 -0.17 2.72 0.23 -0.51 -1.36 119.30 122.07 3at1 s MET 104 Ca 0.03 -0.17 -0.09 0.00 -1.03 0.00 0.00 55.69 54.43 3at1 s MET 104 Cb -0.14 -0.94 -0.05 0.00 -1.53 0.00 0.00 34.83 32.17 3at1 s MET 104 CO 0.02 -0.06 0.11 0.50 -2.03 0.00 0.00 175.02 173.57 3at1 s ARG 105 N 0.84 3.94 0.02 3.16 3.52 0.37 -1.87 118.95 128.93 3at1 s ARG 105 Ca -0.12 -0.23 0.00 0.00 -0.13 0.00 0.00 55.73 55.25 3at1 s ARG 105 Cb -0.15 -3.31 -0.02 0.00 -1.56 0.00 0.00 34.95 29.92 3at1 s ARG 105 CO 0.01 0.41 -0.03 -1.58 -0.81 0.00 0.00 175.30 173.30 3at1 s HIS 106 N 0.01 0.27 0.31 5.12 2.46 -0.87 -0.76 115.29 121.84 3at1 s HIS 106 Ca 0.09 -0.45 0.37 0.00 0.47 0.00 0.00 55.06 55.54 3at1 s HIS 106 Cb -0.11 -0.19 1.88 0.00 -0.13 0.00 0.00 32.58 34.03 3at1 s HIS 106 CO -0.00 -0.15 2.12 -1.00 -2.47 0.00 0.00 174.74 173.24 3at1 h PRO 107 N 4.87 0.00 -5.48 2.88 0.13 -1.88 -2.60 132.00 129.91 3at1 h PRO 107 Ca -0.31 0.00 -0.66 0.00 -0.87 0.00 0.00 66.00 64.16 3at1 h PRO 107 Cb 1.21 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 32.10 3at1 h PRO 107 CO 0.43 0.00 -0.73 -0.65 -0.23 0.00 0.00 178.00 176.82 3at1 s GLN 108 N -3.88 3.33 0.23 0.86 -0.21 -1.26 -3.17 119.66 115.56 3at1 s GLN 108 Ca -0.02 -0.62 -0.30 0.00 0.02 0.00 0.00 55.36 54.43 3at1 s GLN 108 Cb 0.11 -2.69 -0.10 0.00 1.00 0.00 0.00 33.01 31.33 3at1 s GLN 108 CO 0.41 0.30 1.46 -1.21 -2.12 0.00 0.00 175.29 174.14 3at1 s GLU 109 N 0.14 4.26 0.00 2.91 8.01 -1.26 -2.31 118.70 130.45 3at1 s GLU 109 Ca -0.05 2.30 0.00 0.00 0.01 0.00 0.00 54.97 57.24 3at1 s GLU 109 Cb -0.14 -3.12 0.00 0.00 -4.31 0.00 0.00 34.13 26.55 3at1 s GLU 109 CO 0.04 -0.46 0.00 0.41 0.01 0.00 0.00 175.26 175.26 3at1 n GLY 110 N 2.53 0.54 0.24 -1.39 0.00 -1.26 -4.98 105.19 100.87 3at1 n GLY 110 Ca 0.08 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.07 3at1 n GLY 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3at1 h ALA 111 N 0.00 1.12 0.00 4.61 0.00 -1.81 -1.15 119.26 122.02 3at1 h ALA 111 Ca 0.00 -0.33 -0.16 0.00 0.00 0.00 0.00 54.91 54.42 3at1 h ALA 111 Cb 0.00 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 3at1 h ALA 111 CO 0.00 0.55 -0.79 0.00 0.00 0.00 0.00 179.25 179.01 3at1 h ALA 112 N 1.31 0.58 -0.03 0.00 0.00 -1.93 -0.81 119.26 118.38 3at1 h ALA 112 Ca 0.07 -0.71 -0.18 0.00 0.00 0.00 0.00 54.91 54.09 3at1 h ALA 112 Cb 0.63 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 18.31 3at1 h ALA 112 CO 0.04 0.98 -0.68 -0.09 0.00 0.00 0.00 179.25 179.50 3at1 h ARG 113 N 0.00 0.52 -0.39 0.00 2.43 -1.92 -1.84 114.38 113.18 3at1 h ARG 113 Ca -0.01 -0.52 0.05 0.00 -0.81 0.00 0.00 59.98 58.69 3at1 h ARG 113 Cb 1.50 0.14 -0.04 0.00 -0.42 0.00 0.00 29.97 31.15 3at1 h ARG 113 CO 0.10 1.15 0.13 1.25 -1.51 0.00 0.00 179.97 181.09 3at1 h LEU 114 N 0.09 0.13 -1.20 3.80 6.46 -1.17 -2.24 115.31 121.18 3at1 h LEU 114 Ca -0.08 0.05 0.31 0.00 -0.12 0.00 0.00 57.88 58.04 3at1 h LEU 114 Cb 1.36 0.04 -0.12 0.00 -0.73 0.00 0.00 40.66 41.21 3at1 h LEU 114 CO 0.14 0.11 0.66 0.00 -0.62 0.00 0.00 178.44 178.73 3at1 h ALA 115 N 1.26 2.17 0.00 1.25 0.00 -0.94 0.25 119.26 123.24 3at1 h ALA 115 Ca 0.18 0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.21 3at1 h ALA 115 Cb 0.17 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 3at1 h ALA 115 CO -0.19 -0.69 -0.02 1.15 0.00 0.00 0.00 179.25 179.50 3at1 h THR 116 N 0.35 0.39 -0.29 0.00 2.02 -0.69 0.41 112.91 115.09 3at1 h THR 116 Ca 0.69 -0.08 0.00 0.00 0.77 0.00 0.00 66.41 67.78 3at1 h THR 116 Cb 1.71 1.06 0.00 0.00 -1.74 0.00 0.00 68.15 69.18 3at1 h THR 116 CO -0.44 0.02 0.00 -0.62 0.37 0.00 0.00 175.52 174.84 3at1 n GLU 117 N -3.61 2.10 0.00 6.66 1.02 0.08 -4.02 120.64 122.86 3at1 n GLU 117 Ca -0.03 -1.66 0.00 0.00 -0.02 0.00 0.00 57.16 55.45 3at1 n GLU 117 Cb 0.10 -1.44 0.00 0.00 -0.02 0.00 0.00 31.44 30.08 3at1 n GLU 117 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 3at1 n PHE 118 N 0.88 0.00 -0.31 -0.32 3.01 0.09 -4.82 117.46 115.99 3at1 n PHE 118 Ca 0.17 -0.00 0.11 0.00 1.01 0.00 0.00 57.45 58.74 3at1 n PHE 118 Cb 0.45 -0.00 0.32 0.00 -0.01 0.00 0.00 39.48 40.24 3at1 n PHE 118 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 3at1 n SER 119 N -0.00 4.00 0.00 4.37 3.41 -0.94 -3.53 113.62 120.93 3at1 n SER 119 Ca 0.00 -2.13 0.00 0.00 -0.26 0.00 0.00 58.87 56.48 3at1 n SER 119 Cb 0.18 -0.50 0.00 0.00 -0.26 0.00 0.00 64.21 63.63 3at1 n SER 119 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3at1 n GLY 120 N 1.46 3.83 1.75 5.00 0.00 -1.26 -0.42 105.19 115.54 3at1 n GLY 120 Ca 0.24 -0.01 0.02 0.00 0.00 0.00 0.00 46.02 46.26 3at1 n GLY 120 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3at1 n ASN 121 N 6.13 4.99 -4.64 1.61 4.13 -1.26 -4.87 115.26 121.35 3at1 n ASN 121 Ca 0.00 -3.10 -0.42 0.00 1.68 0.00 0.00 54.58 52.74 3at1 n ASN 121 Cb 0.00 -0.69 -0.03 0.00 -1.54 0.00 0.00 39.78 37.52 3at1 n ASN 121 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 3at1 s VAL 122 N -2.89 4.70 0.64 2.41 1.01 0.44 -5.02 120.40 121.69 3at1 s VAL 122 Ca 0.53 1.58 -0.17 0.00 0.00 0.00 0.00 61.98 63.91 3at1 s VAL 122 Cb 0.42 -4.25 -0.01 0.00 0.00 0.00 0.00 36.38 32.54 3at1 s VAL 122 CO 0.13 -0.27 1.18 -2.84 0.00 0.00 0.00 175.10 173.31 3at1 s PRO 123 N 3.17 2.74 0.08 2.72 0.02 -1.26 -4.73 135.00 137.74 3at1 s PRO 123 Ca 0.39 1.70 0.09 0.00 0.02 0.00 0.00 61.00 63.20 3at1 s PRO 123 Cb -0.14 -1.91 -0.03 0.00 0.02 0.00 0.00 34.50 32.44 3at1 s PRO 123 CO 0.11 -1.36 -0.23 0.54 -0.33 0.00 0.00 177.00 175.73 3at1 s VAL 124 N -1.86 1.91 -0.18 3.83 0.11 -1.26 -1.92 120.40 121.02 3at1 s VAL 124 Ca 0.74 -1.44 0.01 0.00 -2.93 0.00 0.00 61.98 58.36 3at1 s VAL 124 Cb -0.27 -1.67 0.03 0.00 -1.53 0.00 0.00 36.38 32.93 3at1 s VAL 124 CO 0.38 0.16 -0.15 -0.76 -3.33 0.00 0.00 175.10 171.40 3at1 s LEU 125 N -1.54 2.10 -0.36 2.54 1.02 0.37 -1.22 118.68 121.59 3at1 s LEU 125 Ca 0.10 -0.71 -0.29 0.00 0.02 0.00 0.00 54.13 53.25 3at1 s LEU 125 Cb -0.10 -1.31 0.01 0.00 0.02 0.00 0.00 46.19 44.82 3at1 s LEU 125 CO 0.03 -0.07 1.20 0.21 0.02 0.00 0.00 176.35 177.74 3at1 s ASN 126 N 1.38 6.71 0.00 2.29 2.47 -0.49 -1.42 114.94 125.88 3at1 s ASN 126 Ca 0.02 0.94 0.22 0.00 0.42 0.00 0.00 52.86 54.47 3at1 s ASN 126 Cb -0.14 -2.54 0.56 0.00 -1.45 0.00 0.00 41.25 37.67 3at1 s ASN 126 CO -0.10 -1.10 1.46 0.00 -3.72 0.00 0.00 177.10 173.64 3at1 n ALA 127 N 7.57 2.47 0.00 1.71 0.00 -0.78 -4.24 120.51 127.23 3at1 n ALA 127 Ca 0.13 -0.77 0.00 0.00 0.00 0.00 0.00 53.44 52.81 3at1 n ALA 127 Cb 0.47 -0.97 0.00 0.00 0.00 0.00 0.00 19.45 18.96 3at1 n ALA 127 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3at1 n GLY 128 N 1.33 4.08 2.77 0.00 0.00 -1.25 -4.80 105.19 107.32 3at1 n GLY 128 Ca 0.18 -0.72 -0.29 0.00 0.00 0.00 0.00 46.02 45.19 3at1 n GLY 128 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3at1 s ASP 129 N 0.00 3.52 1.13 1.61 -4.77 -0.82 -2.05 116.67 115.29 3at1 s ASP 129 Ca 0.00 -1.20 0.00 0.00 -3.30 0.00 0.00 52.55 48.05 3at1 s ASP 129 Cb 0.00 -0.81 0.00 0.00 -1.09 0.00 0.00 42.92 41.02 3at1 s ASP 129 CO 0.00 -0.33 0.00 0.61 0.70 0.00 0.00 175.17 176.15 3at1 n GLY 130 N 4.90 3.08 0.86 2.12 0.00 -0.98 -1.13 105.19 114.05 3at1 n GLY 130 Ca -0.07 -0.32 0.08 0.00 0.00 0.00 0.00 46.02 45.71 3at1 n GLY 130 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3at1 n SER 131 N 1.52 2.51 0.00 1.61 3.41 -1.26 -4.67 113.62 116.74 3at1 n SER 131 Ca 0.00 -1.98 0.00 0.00 -0.26 0.00 0.00 58.87 56.63 3at1 n SER 131 Cb 0.00 -0.30 0.00 0.00 -0.26 0.00 0.00 64.21 63.65 3at1 n SER 131 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3at1 n ASN 132 N 0.87 0.00 -4.47 4.04 5.15 -0.28 -4.57 115.26 116.00 3at1 n ASN 132 Ca 0.16 0.00 -0.25 0.00 -0.60 0.00 0.00 54.58 53.89 3at1 n ASN 132 Cb 0.40 0.00 -0.10 0.00 -0.53 0.00 0.00 39.78 39.55 3at1 n ASN 132 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 3at1 s GLN 133 N 0.00 1.67 -0.43 1.20 -1.52 -1.24 -4.89 119.66 114.45 3at1 s GLN 133 Ca 0.00 -1.72 0.06 0.00 -1.95 0.00 0.00 55.36 51.75 3at1 s GLN 133 Cb 0.00 -1.79 0.32 0.00 -0.22 0.00 0.00 33.01 31.32 3at1 s GLN 133 CO 0.00 0.34 1.18 1.58 -0.25 0.00 0.00 175.29 178.15 3at1 n HIS 134 N -0.46 -2.42 0.28 0.91 -0.00 -1.26 -1.94 115.22 110.32 3at1 n HIS 134 Ca -0.06 -1.87 0.14 0.00 0.46 0.00 0.00 57.72 56.39 3at1 n HIS 134 Cb 0.59 1.56 0.81 0.00 -0.12 0.00 0.00 29.99 32.83 3at1 n HIS 134 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 3at1 h PRO 135 N 2.77 0.00 -0.53 1.57 0.13 -1.81 -1.80 132.00 132.33 3at1 h PRO 135 Ca -0.15 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.87 3at1 h PRO 135 Cb 1.13 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.25 3at1 h PRO 135 CO 0.09 0.08 -0.07 1.79 -0.23 0.00 0.00 178.00 179.65 3at1 h THR 136 N 0.00 1.27 -0.32 1.56 1.35 -1.94 -1.08 112.91 113.74 3at1 h THR 136 Ca -0.00 -1.21 0.05 0.00 -0.55 0.00 0.00 66.41 64.69 3at1 h THR 136 Cb 0.24 0.97 -0.04 0.00 -1.73 0.00 0.00 68.15 67.59 3at1 h THR 136 CO 0.01 0.43 0.06 -0.61 -0.25 0.00 0.00 175.52 175.16 3at1 h GLN 137 N 0.85 0.17 -0.62 4.72 5.75 -1.69 -2.82 115.11 121.48 3at1 h GLN 137 Ca 0.14 -0.01 -0.05 0.00 -0.15 0.00 0.00 58.65 58.58 3at1 h GLN 137 Cb 0.63 -0.04 -0.03 0.00 1.07 0.00 0.00 27.48 29.11 3at1 h GLN 137 CO 0.04 0.11 0.17 1.15 -2.65 0.00 0.00 178.83 177.66 3at1 h THR 138 N 0.18 1.24 -0.84 2.39 2.02 -1.39 -0.41 112.91 116.09 3at1 h THR 138 Ca 0.15 -0.84 -0.03 0.00 0.77 0.00 0.00 66.41 66.46 3at1 h THR 138 Cb 0.17 0.58 -0.04 0.00 -1.74 0.00 0.00 68.15 67.12 3at1 h THR 138 CO -0.20 0.32 0.41 -0.07 0.37 0.00 0.00 175.52 176.35 3at1 h LEU 139 N 0.91 1.10 -0.39 2.58 3.38 -1.15 -0.20 115.31 121.54 3at1 h LEU 139 Ca 0.20 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3at1 h LEU 139 Cb 0.29 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.76 3at1 h LEU 139 CO -0.00 0.92 0.00 0.17 0.09 0.00 0.00 178.44 179.62 3at1 h LEU 140 N 1.19 0.00 -0.04 1.67 8.10 -0.97 -0.67 115.31 124.60 3at1 h LEU 140 Ca 0.29 0.00 -0.26 0.00 0.11 0.00 0.00 57.88 58.02 3at1 h LEU 140 Cb 0.12 0.00 0.01 0.00 -0.44 0.00 0.00 40.66 40.35 3at1 h LEU 140 CO -0.04 0.00 -1.07 0.44 -4.11 0.00 0.00 178.44 173.67 3at1 h ASP 141 N 0.00 0.67 -0.27 0.17 3.32 0.03 -1.90 116.42 118.44 3at1 h ASP 141 Ca 0.00 -0.57 -0.16 0.00 0.02 0.00 0.00 57.03 56.32 3at1 h ASP 141 Cb 0.68 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 40.02 3at1 h ASP 141 CO 0.00 1.39 -0.45 -0.07 -1.72 0.00 0.00 179.24 178.39 3at1 h LEU 142 N 0.25 0.85 -1.82 1.55 3.38 -1.06 0.45 115.31 118.91 3at1 h LEU 142 Ca -0.12 -0.53 -0.03 0.00 0.09 0.00 0.00 57.88 57.30 3at1 h LEU 142 Cb 1.73 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 42.23 3at1 h LEU 142 CO 0.19 1.21 -0.13 0.15 0.09 0.00 0.00 178.44 179.96 3at1 h PHE 143 N 0.52 0.00 0.06 1.13 3.04 -1.06 0.30 116.94 120.92 3at1 h PHE 143 Ca 0.02 0.00 -0.27 0.00 3.98 0.00 0.00 57.97 61.70 3at1 h PHE 143 Cb 1.05 0.00 -0.02 0.00 2.56 0.00 0.00 35.95 39.54 3at1 h PHE 143 CO 0.08 0.13 -1.35 1.15 -2.02 0.00 0.00 178.31 176.30 3at1 h THR 144 N 0.00 1.33 0.46 4.41 2.02 -1.12 0.36 112.91 120.38 3at1 h THR 144 Ca -0.00 -3.03 -0.02 0.00 0.77 0.00 0.00 66.41 64.13 3at1 h THR 144 Cb 0.25 2.75 0.00 0.00 -1.74 0.00 0.00 68.15 69.42 3at1 h THR 144 CO 0.02 0.82 -0.22 0.40 0.37 0.00 0.00 175.52 176.91 3at1 h ILE 145 N 0.03 0.48 -0.88 3.11 2.04 -0.54 -0.68 117.51 121.07 3at1 h ILE 145 Ca -0.16 -0.39 0.16 0.00 1.00 0.00 0.00 64.86 65.47 3at1 h ILE 145 Cb 1.93 0.64 -0.10 0.00 -0.74 0.00 0.00 36.82 38.55 3at1 h ILE 145 CO 0.14 0.06 0.47 -0.61 0.00 0.00 0.00 178.15 178.21 3at1 h GLN 146 N -0.87 0.63 0.01 2.37 4.15 -1.01 0.10 115.11 120.48 3at1 h GLN 146 Ca -0.06 -0.04 -0.19 0.00 0.77 0.00 0.00 58.65 59.13 3at1 h GLN 146 Cb 0.57 -0.14 -0.02 0.00 0.21 0.00 0.00 27.48 28.10 3at1 h GLN 146 CO 0.10 0.42 -0.89 0.37 -1.93 0.00 0.00 178.83 176.90 3at1 h GLN 147 N 0.65 0.07 0.00 1.69 4.15 -0.74 0.37 115.11 121.30 3at1 h GLN 147 Ca 0.49 -0.09 -0.27 0.00 0.77 0.00 0.00 58.65 59.55 3at1 h GLN 147 Cb 0.70 0.03 -0.05 0.00 0.21 0.00 0.00 27.48 28.38 3at1 h GLN 147 CO -0.37 0.91 -1.58 1.79 -1.93 0.00 0.00 178.83 177.65 3at1 h THR 148 N 0.03 0.95 0.00 2.39 1.35 -0.41 -3.39 112.91 113.83 3at1 h THR 148 Ca -0.03 -2.76 0.00 0.00 -0.55 0.00 0.00 66.41 63.08 3at1 h THR 148 Cb 1.55 2.45 0.00 0.00 -1.73 0.00 0.00 68.15 70.42 3at1 h THR 148 CO 0.12 0.54 -1.17 -0.62 -0.25 0.00 0.00 175.52 174.14 3at1 n GLU 149 N -3.08 0.77 0.00 4.72 -0.58 0.28 -5.01 120.64 117.75 3at1 n GLU 149 Ca -0.14 -0.05 0.00 0.00 -0.42 0.00 0.00 57.16 56.55 3at1 n GLU 149 Cb 1.02 -1.40 0.00 0.00 -0.57 0.00 0.00 31.44 30.49 3at1 n GLU 149 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3at1 n GLY 150 N 1.43 2.98 3.51 0.62 0.00 0.13 -4.92 105.19 108.94 3at1 n GLY 150 Ca 0.01 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.88 3at1 n GLY 150 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3at1 s ARG 151 N -0.13 1.99 -0.01 1.61 1.70 -1.25 -4.98 118.95 117.87 3at1 s ARG 151 Ca 0.00 -1.79 0.01 0.00 -0.47 0.00 0.00 55.73 53.48 3at1 s ARG 151 Cb 0.00 0.46 0.02 0.00 -0.57 0.00 0.00 34.95 34.86 3at1 s ARG 151 CO 0.00 -0.84 0.76 1.28 -1.08 0.00 0.00 175.30 175.42 3at1 n LEU 152 N -0.59 0.45 -4.33 -1.89 4.77 -1.26 -3.73 117.00 110.42 3at1 n LEU 152 Ca 0.01 -0.79 -0.30 0.00 -0.03 0.00 0.00 56.01 54.90 3at1 n LEU 152 Cb 0.61 -0.03 -0.15 0.00 -2.33 0.00 0.00 43.42 41.52 3at1 n LEU 152 CO 0.30 0.19 -0.57 -1.81 -1.33 0.00 0.00 177.39 174.18 3at1 s ASP 153 N -0.64 3.10 -1.17 -1.43 1.01 -1.26 -4.64 116.67 111.65 3at1 s ASP 153 Ca 0.02 -0.58 -0.08 0.00 0.71 0.00 0.00 52.55 52.63 3at1 s ASP 153 Cb 0.02 -0.28 -0.02 0.00 1.01 0.00 0.00 42.92 43.64 3at1 s ASP 153 CO 0.00 0.26 0.82 0.59 0.21 0.00 0.00 175.17 177.05 3at1 n ASN 154 N 1.83 -4.13 -4.58 0.27 3.02 0.21 -4.92 115.26 106.95 3at1 n ASN 154 Ca -0.17 -0.83 -0.24 0.00 -0.03 0.00 0.00 54.58 53.31 3at1 n ASN 154 Cb 0.52 -4.29 -0.09 0.00 -0.61 0.00 0.00 39.78 35.31 3at1 n ASN 154 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3at1 s LEU 155 N -6.20 2.99 -0.34 3.41 1.43 -1.22 -4.89 118.68 113.86 3at1 s LEU 155 Ca 0.28 -0.70 -0.04 0.00 -1.03 0.00 0.00 54.13 52.64 3at1 s LEU 155 Cb -0.07 -1.56 0.06 0.00 0.03 0.00 0.00 46.19 44.65 3at1 s LEU 155 CO 0.80 0.04 0.09 -1.00 0.23 0.00 0.00 176.35 176.52 3at1 s HIS 156 N -2.14 3.35 -0.10 0.29 3.76 -1.26 -0.93 115.29 118.26 3at1 s HIS 156 Ca 0.29 -1.88 0.03 0.00 -0.15 0.00 0.00 55.06 53.35 3at1 s HIS 156 Cb -0.07 -2.49 0.01 0.00 1.11 0.00 0.00 32.58 31.14 3at1 s HIS 156 CO 0.17 -0.83 -0.20 0.08 -0.85 0.00 0.00 174.74 173.11 3at1 s VAL 157 N 1.27 1.82 -0.13 -0.90 1.01 -0.84 -0.58 120.40 122.04 3at1 s VAL 157 Ca -0.00 -0.86 -0.06 0.00 0.00 0.00 0.00 61.98 61.06 3at1 s VAL 157 Cb -0.21 -1.60 -0.04 0.00 0.00 0.00 0.00 36.38 34.54 3at1 s VAL 157 CO -0.01 0.50 0.07 0.00 0.00 0.00 0.00 175.10 175.67 3at1 s ALA 158 N 0.58 3.53 -0.25 5.51 0.00 -0.48 -1.15 121.76 129.50 3at1 s ALA 158 Ca -0.14 -0.73 -0.09 0.00 0.00 0.00 0.00 51.96 51.00 3at1 s ALA 158 Cb -0.17 -1.81 -0.04 0.00 0.00 0.00 0.00 23.12 21.11 3at1 s ALA 158 CO 0.04 0.45 0.11 -1.64 0.00 0.00 0.00 175.76 174.73 3at1 s MET 159 N -0.48 3.82 0.07 0.00 -1.94 0.75 -0.83 119.30 120.69 3at1 s MET 159 Ca 0.10 -0.39 0.08 0.00 -1.71 0.00 0.00 55.69 53.77 3at1 s MET 159 Cb -0.12 -3.43 -0.04 0.00 2.01 0.00 0.00 34.83 33.25 3at1 s MET 159 CO 0.02 -0.11 -0.19 0.08 -0.01 0.00 0.00 175.02 174.81 3at1 s VAL 160 N 1.45 2.75 0.00 -6.03 1.01 0.21 -0.66 120.40 119.13 3at1 s VAL 160 Ca 0.06 -1.35 0.00 0.00 0.00 0.00 0.00 61.98 60.69 3at1 s VAL 160 Cb -0.15 -2.20 0.00 0.00 0.00 0.00 0.00 36.38 34.03 3at1 s VAL 160 CO 0.06 0.24 0.00 0.61 0.00 0.00 0.00 175.10 176.00 3at1 n GLY 161 N 1.24 0.53 3.57 4.51 0.00 -0.65 -1.68 105.19 112.71 3at1 n GLY 161 Ca -0.16 -1.65 -0.36 0.00 0.00 0.00 0.00 46.02 43.85 3at1 n GLY 161 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3at1 s ASP 162 N -4.00 6.03 0.00 1.61 3.68 -1.26 -3.93 116.67 118.79 3at1 s ASP 162 Ca 0.00 -1.84 0.31 0.00 2.13 0.00 0.00 52.55 53.15 3at1 s ASP 162 Cb 0.00 -2.58 1.72 0.00 -1.45 0.00 0.00 42.92 40.61 3at1 s ASP 162 CO 0.00 -2.00 2.13 0.18 0.13 0.00 0.00 175.17 175.61 3at1 n LEU 163 N 10.98 0.13 -0.08 -1.34 4.77 -0.65 -2.56 117.00 128.26 3at1 n LEU 163 Ca 0.44 0.03 -0.12 0.00 -0.03 0.00 0.00 56.01 56.34 3at1 n LEU 163 Cb 0.47 -0.08 -0.07 0.00 -2.33 0.00 0.00 43.42 41.41 3at1 n LEU 163 CO 0.70 0.02 -0.16 0.50 -1.33 0.00 0.00 177.39 177.13 3at1 h LYS 164 N 0.19 0.00 0.00 3.23 3.64 -1.50 -3.39 116.57 118.75 3at1 h LYS 164 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3at1 h LYS 164 Cb 0.12 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.94 3at1 h LYS 164 CO 0.00 0.58 -1.38 0.66 -2.27 0.00 0.00 179.45 177.04 3at1 n TYR 165 N -4.58 0.38 -1.53 1.91 4.01 -1.25 -4.79 117.16 111.31 3at1 n TYR 165 Ca -0.15 0.11 -0.28 0.00 -0.16 0.00 0.00 57.90 57.42 3at1 n TYR 165 Cb 0.41 -0.61 -0.12 0.00 -0.31 0.00 0.00 39.34 38.71 3at1 n TYR 165 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3at1 n GLY 166 N 1.27 -0.24 0.33 2.72 0.00 -1.06 -4.84 105.19 103.38 3at1 n GLY 166 Ca -0.01 0.53 0.14 0.00 0.00 0.00 0.00 46.02 46.69 3at1 n GLY 166 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3at1 h ARG 167 N 13.90 0.48 0.03 1.61 2.43 -1.90 -2.34 114.38 128.59 3at1 h ARG 167 Ca -0.06 -0.03 -0.18 0.00 -0.81 0.00 0.00 59.98 58.90 3at1 h ARG 167 Cb 1.18 -0.11 0.02 0.00 -0.42 0.00 0.00 29.97 30.64 3at1 h ARG 167 CO 1.29 0.32 -0.73 1.79 -1.51 0.00 0.00 179.97 181.13 3at1 h THR 168 N 0.49 1.42 0.00 0.20 1.35 -1.91 -3.00 112.91 111.46 3at1 h THR 168 Ca 0.58 -2.20 -0.01 0.00 -0.55 0.00 0.00 66.41 64.23 3at1 h THR 168 Cb 1.07 2.69 -0.00 0.00 -1.73 0.00 0.00 68.15 70.18 3at1 h THR 168 CO -0.49 0.64 -0.04 -0.37 -0.25 0.00 0.00 175.52 175.02 3at1 h VAL 169 N -0.07 0.15 0.06 6.82 -1.51 -1.88 -1.27 116.25 118.54 3at1 h VAL 169 Ca -0.10 -0.40 -0.00 0.00 -1.23 0.00 0.00 66.70 64.97 3at1 h VAL 169 Cb 1.45 1.34 0.00 0.00 -2.13 0.00 0.00 31.29 31.95 3at1 h VAL 169 CO 0.14 0.04 -0.03 0.45 -1.23 0.00 0.00 177.57 176.94 3at1 h HIS 170 N 0.00 -0.08 -0.49 5.19 3.86 -1.41 -3.07 115.15 119.15 3at1 h HIS 170 Ca -0.00 -0.00 -0.09 0.00 -1.16 0.00 0.00 60.37 59.12 3at1 h HIS 170 Cb 0.34 0.03 -0.02 0.00 1.06 0.00 0.00 27.41 28.81 3at1 h HIS 170 CO 0.00 0.42 -0.06 0.66 0.86 0.00 0.00 177.93 179.80 3at1 h SER 171 N -0.62 0.84 -0.34 2.45 4.64 -1.27 -1.82 113.55 117.43 3at1 h SER 171 Ca -0.01 -0.24 -0.03 0.00 -0.47 0.00 0.00 61.79 61.04 3at1 h SER 171 Cb 0.53 -0.23 -0.02 0.00 -0.31 0.00 0.00 62.40 62.37 3at1 h SER 171 CO 0.01 0.94 0.14 0.25 -0.87 0.00 0.00 176.83 177.31 3at1 h LEU 172 N 0.79 0.52 -0.01 5.97 5.85 -1.35 0.41 115.31 127.48 3at1 h LEU 172 Ca 0.14 -0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.79 3at1 h LEU 172 Cb 0.56 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.46 3at1 h LEU 172 CO 0.03 0.49 -0.02 0.74 -0.34 0.00 0.00 178.44 179.35 3at1 h THR 173 N 0.57 1.44 -0.78 1.05 2.02 -1.32 -1.77 112.91 114.13 3at1 h THR 173 Ca 0.14 -1.32 0.13 0.00 0.77 0.00 0.00 66.41 66.13 3at1 h THR 173 Cb 0.15 2.31 -0.14 0.00 -1.74 0.00 0.00 68.15 68.74 3at1 h THR 173 CO -0.01 0.35 -0.35 1.56 0.37 0.00 0.00 175.52 177.44 3at1 h GLN 174 N -0.52 -0.08 -0.32 6.66 4.20 -0.71 0.43 115.11 124.77 3at1 h GLN 174 Ca 0.00 0.01 -0.10 0.00 0.06 0.00 0.00 58.65 58.62 3at1 h GLN 174 Cb 0.57 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.37 3at1 h GLN 174 CO 0.00 -0.05 -0.19 0.00 -0.67 0.00 0.00 178.83 177.92 3at1 h ALA 175 N 1.21 0.45 0.00 3.87 0.00 -0.91 -2.89 119.26 120.99 3at1 h ALA 175 Ca 0.29 -0.36 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 3at1 h ALA 175 Cb 0.57 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 3at1 h ALA 175 CO -0.82 0.39 -0.36 -0.07 0.00 0.00 0.00 179.25 178.40 3at1 h LEU 176 N 0.46 0.00 -0.85 0.00 3.38 -0.76 -1.54 115.31 116.00 3at1 h LEU 176 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3at1 h LEU 176 Cb 0.73 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.48 3at1 h LEU 176 CO 0.05 0.36 0.00 0.00 0.09 0.00 0.00 178.44 178.94 3at1 n ALA 177 N -2.37 1.92 -0.01 1.53 0.00 0.09 -1.53 120.51 120.15 3at1 n ALA 177 Ca -0.01 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.44 3at1 n ALA 177 Cb 0.44 -1.00 0.03 0.00 0.00 0.00 0.00 19.45 18.92 3at1 n ALA 177 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3at1 n LYS 178 N 0.10 2.19 -4.19 0.00 5.02 -0.58 -5.01 118.16 115.70 3at1 n LYS 178 Ca 0.00 -1.43 -0.18 0.00 -2.02 0.00 0.00 58.31 54.68 3at1 n LYS 178 Cb 0.13 -1.07 -0.12 0.00 -0.02 0.00 0.00 35.03 33.95 3at1 n LYS 178 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 3at1 s PHE 179 N -0.83 1.17 0.31 2.13 0.08 -0.58 -4.84 117.98 115.41 3at1 s PHE 179 Ca 0.05 -0.45 -0.22 0.00 0.12 0.00 0.00 56.93 56.44 3at1 s PHE 179 Cb 0.03 -0.66 -0.09 0.00 -0.57 0.00 0.00 43.02 41.72 3at1 s PHE 179 CO 0.04 0.04 0.85 -0.51 -0.10 0.00 0.00 175.22 175.54 3at1 s ASP 180 N -1.64 7.12 0.00 1.36 1.01 -1.26 -4.30 116.67 118.97 3at1 s ASP 180 Ca -0.02 1.62 0.00 0.00 0.71 0.00 0.00 52.55 54.86 3at1 s ASP 180 Cb -0.10 -2.50 0.00 0.00 1.01 0.00 0.00 42.92 41.33 3at1 s ASP 180 CO 0.02 -0.10 0.00 0.61 0.21 0.00 0.00 175.17 175.91 3at1 n GLY 181 N 0.33 0.72 3.74 0.21 0.00 -1.26 0.65 105.19 109.58 3at1 n GLY 181 Ca 0.02 -0.18 -0.38 0.00 0.00 0.00 0.00 46.02 45.47 3at1 n GLY 181 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3at1 s ASN 182 N -2.17 6.75 -0.12 1.61 0.01 -1.26 -3.40 114.94 116.36 3at1 s ASN 182 Ca 0.00 0.89 -0.03 0.00 -0.71 0.00 0.00 52.86 53.01 3at1 s ASN 182 Cb 0.00 -2.30 -0.03 0.00 0.41 0.00 0.00 41.25 39.33 3at1 s ASN 182 CO 0.00 0.05 -0.02 -0.60 -1.51 0.00 0.00 177.10 175.02 3at1 s ARG 183 N 0.30 3.34 -0.24 -0.60 6.06 -0.11 -3.89 118.95 123.81 3at1 s ARG 183 Ca 0.27 -0.47 0.02 0.00 -2.50 0.00 0.00 55.73 53.04 3at1 s ARG 183 Cb -0.16 -2.86 0.06 0.00 0.06 0.00 0.00 34.95 32.05 3at1 s ARG 183 CO 0.12 0.46 -0.09 -0.06 -2.50 0.00 0.00 175.30 173.23 3at1 s PHE 184 N -0.22 2.78 -0.23 5.12 0.40 0.77 -1.99 117.98 124.60 3at1 s PHE 184 Ca 0.05 -1.97 -0.15 0.00 -0.60 0.00 0.00 56.93 54.26 3at1 s PHE 184 Cb -0.13 -1.74 -0.04 0.00 0.51 0.00 0.00 43.02 41.62 3at1 s PHE 184 CO 0.02 -0.82 0.35 0.71 0.70 0.00 0.00 175.22 176.18 3at1 s TYR 185 N 1.27 3.32 -0.42 0.36 1.51 -0.30 -0.74 117.35 122.34 3at1 s TYR 185 Ca -0.06 0.47 -0.07 0.00 -1.01 0.00 0.00 57.07 56.40 3at1 s TYR 185 Cb -0.19 -2.50 0.10 0.00 -0.11 0.00 0.00 41.96 39.26 3at1 s TYR 185 CO -0.06 -0.08 0.24 -0.06 -1.11 0.00 0.00 175.55 174.48 3at1 s PHE 186 N 1.55 3.43 -0.90 2.71 0.08 0.60 -0.18 117.98 125.28 3at1 s PHE 186 Ca 0.16 -1.92 -0.02 0.00 0.12 0.00 0.00 56.93 55.26 3at1 s PHE 186 Cb -0.15 -3.11 0.22 0.00 -0.57 0.00 0.00 43.02 39.41 3at1 s PHE 186 CO 0.08 -0.92 0.79 0.42 -0.10 0.00 0.00 175.22 175.49 3at1 s ILE 187 N 1.31 4.46 0.36 0.64 1.09 0.16 -1.00 121.20 128.21 3at1 s ILE 187 Ca 0.05 -3.78 0.09 0.00 -1.10 0.00 0.00 60.65 55.91 3at1 s ILE 187 Cb -0.23 -3.76 -0.06 0.00 -1.06 0.00 0.00 42.46 37.34 3at1 s ILE 187 CO -0.01 -1.08 -0.04 0.00 -0.10 0.00 0.00 174.94 173.71 3at1 s ALA 188 N -1.27 3.09 0.38 9.38 0.00 -1.26 -1.64 121.76 130.43 3at1 s ALA 188 Ca 0.27 -2.08 -0.28 0.00 0.00 0.00 0.00 51.96 49.87 3at1 s ALA 188 Cb -0.08 -0.13 -0.11 0.00 0.00 0.00 0.00 23.12 22.80 3at1 s ALA 188 CO -0.12 0.04 1.44 -2.30 0.00 0.00 0.00 175.76 174.82 3at1 n PRO 189 N -0.88 2.52 0.17 0.00 -0.02 -1.25 -4.88 135.00 130.65 3at1 n PRO 189 Ca -0.05 0.88 0.03 0.00 -2.02 0.00 0.00 63.50 62.35 3at1 n PRO 189 Cb 0.64 -2.59 0.40 0.00 -0.02 0.00 0.00 33.50 31.93 3at1 n PRO 189 CO 0.00 0.00 0.00 0.38 1.98 0.00 0.00 175.50 177.86 3at1 h ASP 190 N 2.80 0.08 -0.80 2.55 2.03 -1.96 0.60 116.42 121.72 3at1 h ASP 190 Ca -0.50 -0.02 0.22 0.00 -0.73 0.00 0.00 57.03 56.01 3at1 h ASP 190 Cb 1.25 -0.02 -0.04 0.00 -0.83 0.00 0.00 39.33 39.70 3at1 h ASP 190 CO 0.63 0.33 0.57 0.00 -1.03 0.00 0.00 179.24 179.75 3at1 h ALA 191 N 1.68 2.68 -0.77 4.15 0.00 -2.01 -2.15 119.26 122.83 3at1 h ALA 191 Ca 0.01 -0.02 -0.54 0.00 0.00 0.00 0.00 54.91 54.36 3at1 h ALA 191 Cb 0.48 0.05 -0.43 0.00 0.00 0.00 0.00 17.79 17.89 3at1 h ALA 191 CO 0.03 -0.91 -0.83 1.28 0.00 0.00 0.00 179.25 178.82 3at1 n LEU 192 N -4.33 4.76 -4.86 0.00 4.77 0.20 -5.00 117.00 112.55 3at1 n LEU 192 Ca 0.16 -4.69 -0.31 0.00 -0.03 0.00 0.00 56.01 51.14 3at1 n LEU 192 Cb 0.84 -0.31 0.01 0.00 -2.33 0.00 0.00 43.42 41.63 3at1 n LEU 192 CO 0.37 2.07 0.71 0.00 -1.33 0.00 0.00 177.39 179.21 3at1 s ALA 193 N -3.61 3.03 0.28 -1.18 0.00 -0.63 -1.64 121.76 118.02 3at1 s ALA 193 Ca 0.50 -0.03 -0.30 0.00 0.00 0.00 0.00 51.96 52.13 3at1 s ALA 193 Cb 0.41 -3.10 -0.12 0.00 0.00 0.00 0.00 23.12 20.30 3at1 s ALA 193 CO 0.03 -0.72 1.55 -0.12 0.00 0.00 0.00 175.76 176.50 3at1 n MET 194 N -2.66 2.53 -1.44 0.00 1.56 -1.26 -3.36 117.12 112.49 3at1 n MET 194 Ca 0.06 0.90 -0.36 0.00 -0.27 0.00 0.00 57.70 58.04 3at1 n MET 194 Cb 0.54 -2.65 0.09 0.00 2.15 0.00 0.00 33.22 33.35 3at1 n MET 194 CO 0.00 0.00 0.00 -2.30 -0.73 0.00 0.00 175.97 172.94 3at1 n PRO 195 N 2.14 0.67 -0.19 2.12 -0.02 -1.26 -4.93 135.00 133.53 3at1 n PRO 195 Ca 0.09 0.29 -0.06 0.00 -2.02 0.00 0.00 63.50 61.81 3at1 n PRO 195 Cb 0.35 -2.42 0.04 0.00 -0.02 0.00 0.00 33.50 31.45 3at1 n PRO 195 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3at1 h GLU 196 N -0.11 0.69 -0.87 -0.52 4.57 -2.00 -2.94 114.58 113.41 3at1 h GLU 196 Ca -0.49 -0.04 0.08 0.00 -1.18 0.00 0.00 59.36 57.73 3at1 h GLU 196 Cb 1.33 -0.16 -0.07 0.00 -0.16 0.00 0.00 28.75 29.69 3at1 h GLU 196 CO 0.49 0.46 0.53 0.10 -1.18 0.00 0.00 179.01 179.41 3at1 h TYR 197 N 0.71 0.97 -0.43 0.92 -0.00 -1.99 0.30 116.97 117.45 3at1 h TYR 197 Ca 0.21 0.03 -0.02 0.00 -0.00 0.00 0.00 58.73 58.95 3at1 h TYR 197 Cb -0.04 -0.31 -0.02 0.00 -0.00 0.00 0.00 36.73 36.36 3at1 h TYR 197 CO -0.05 0.46 0.19 0.82 -0.00 0.00 0.00 178.16 179.58 3at1 h ILE 198 N 0.93 1.19 -0.22 -0.90 1.08 -1.91 0.87 117.51 118.55 3at1 h ILE 198 Ca 0.39 -0.56 -0.05 0.00 -0.39 0.00 0.00 64.86 64.25 3at1 h ILE 198 Cb 0.25 0.76 -0.01 0.00 -3.07 0.00 0.00 36.82 34.75 3at1 h ILE 198 CO -0.20 0.21 -0.10 -0.07 -0.69 0.00 0.00 178.15 177.30 3at1 h LEU 199 N 0.56 0.34 -0.14 1.44 3.38 -1.02 -1.26 115.31 118.59 3at1 h LEU 199 Ca 0.15 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 3at1 h LEU 199 Cb 0.15 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 3at1 h LEU 199 CO -0.02 0.48 0.01 0.44 0.09 0.00 0.00 178.44 179.44 3at1 h ASP 200 N 0.34 0.23 -0.53 -0.43 3.32 0.61 0.97 116.42 120.93 3at1 h ASP 200 Ca 0.07 -0.28 0.09 0.00 0.02 0.00 0.00 57.03 56.93 3at1 h ASP 200 Cb 0.39 -0.06 -0.08 0.00 0.22 0.00 0.00 39.33 39.80 3at1 h ASP 200 CO 0.02 0.46 0.10 -0.03 -1.72 0.00 0.00 179.24 178.07 3at1 h MET 201 N -0.00 0.23 -0.42 3.56 4.05 -0.51 -0.93 114.93 120.91 3at1 h MET 201 Ca 0.04 -0.01 -0.05 0.00 -0.28 0.00 0.00 59.70 59.40 3at1 h MET 201 Cb 0.33 -0.05 -0.02 0.00 -0.80 0.00 0.00 31.60 31.06 3at1 h MET 201 CO 0.00 0.15 0.07 -0.07 0.23 0.00 0.00 176.91 177.30 3at1 h LEU 202 N 0.23 0.59 -0.67 3.39 3.38 -1.04 -2.24 115.31 118.95 3at1 h LEU 202 Ca 0.27 -0.10 -0.10 0.00 0.09 0.00 0.00 57.88 58.04 3at1 h LEU 202 Cb 0.37 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 3at1 h LEU 202 CO -0.35 0.61 -0.08 0.44 0.09 0.00 0.00 178.44 179.15 3at1 h ASP 203 N 0.62 0.94 -0.33 -0.43 3.32 0.47 -2.25 116.42 118.76 3at1 h ASP 203 Ca 0.14 -0.29 0.07 0.00 0.02 0.00 0.00 57.03 56.97 3at1 h ASP 203 Cb 0.28 -0.25 -0.07 0.00 0.22 0.00 0.00 39.33 39.51 3at1 h ASP 203 CO 0.00 1.04 -0.13 -0.33 -1.72 0.00 0.00 179.24 178.10 3at1 h GLU 204 N 0.86 -0.07 -0.32 3.56 5.08 -0.63 -2.13 114.58 120.93 3at1 h GLU 204 Ca 0.14 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 3at1 h GLU 204 Cb 0.61 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.88 3at1 h GLU 204 CO 0.04 -0.05 0.00 1.63 -1.00 0.00 0.00 179.01 179.63 3at1 n LYS 205 N -5.32 1.62 -1.90 2.33 5.02 -1.15 -4.87 118.16 113.88 3at1 n LYS 205 Ca 0.01 -0.84 -0.17 0.00 -2.02 0.00 0.00 58.31 55.29 3at1 n LYS 205 Cb 0.23 -1.25 -0.04 0.00 -0.02 0.00 0.00 35.03 33.95 3at1 n LYS 205 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3at1 n GLY 206 N 0.77 0.70 3.71 0.72 0.00 -0.80 -4.95 105.19 105.34 3at1 n GLY 206 Ca 0.08 -0.19 -0.41 0.00 0.00 0.00 0.00 46.02 45.50 3at1 n GLY 206 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3at1 s ILE 207 N -2.74 4.94 -0.26 -0.61 1.01 -0.85 -5.04 121.20 117.65 3at1 s ILE 207 Ca 0.00 1.81 -0.29 0.00 0.00 0.00 0.00 60.65 62.17 3at1 s ILE 207 Cb 0.00 -4.21 0.01 0.00 0.01 0.00 0.00 42.46 38.27 3at1 s ILE 207 CO 0.00 0.20 1.10 0.00 0.00 0.00 0.00 174.94 176.24 3at1 s ALA 208 N 0.94 3.59 0.41 9.38 0.00 -1.25 -4.64 121.76 130.19 3at1 s ALA 208 Ca 0.46 0.12 0.07 0.00 0.00 0.00 0.00 51.96 52.62 3at1 s ALA 208 Cb -0.20 -3.62 -0.06 0.00 0.00 0.00 0.00 23.12 19.24 3at1 s ALA 208 CO 0.24 -1.28 0.11 1.67 0.00 0.00 0.00 175.76 176.50 3at1 s TRP 209 N 3.50 2.58 -0.18 0.00 1.48 -1.26 -0.16 118.94 124.89 3at1 s TRP 209 Ca 0.47 -0.61 -0.28 0.00 -1.06 0.00 0.00 56.10 54.62 3at1 s TRP 209 Cb -0.15 -1.88 0.11 0.00 -1.16 0.00 0.00 33.47 30.39 3at1 s TRP 209 CO 0.12 0.29 0.91 -1.54 -4.06 0.00 0.00 176.95 172.66 3at1 s SER 210 N -3.83 -0.50 0.54 -2.66 1.04 0.08 -4.87 113.70 103.50 3at1 s SER 210 Ca 0.39 0.72 -0.18 0.00 0.48 0.00 0.00 55.95 57.36 3at1 s SER 210 Cb 0.06 0.64 -0.06 0.00 0.10 0.00 0.00 66.02 66.76 3at1 s SER 210 CO 0.21 -0.34 1.04 -0.76 0.98 0.00 0.00 173.24 174.37 3at1 s LEU 211 N -0.59 3.65 0.20 2.42 1.43 -1.26 -0.29 118.68 124.24 3at1 s LEU 211 Ca -0.02 1.83 -0.11 0.00 -1.03 0.00 0.00 54.13 54.80 3at1 s LEU 211 Cb -0.02 -4.54 -0.01 0.00 0.03 0.00 0.00 46.19 41.65 3at1 s LEU 211 CO 0.01 -0.94 0.37 -1.00 0.23 0.00 0.00 176.35 175.02 3at1 s HIS 212 N -2.29 0.38 0.00 0.29 3.76 -0.17 -4.78 115.29 112.48 3at1 s HIS 212 Ca 0.64 -0.73 0.00 0.00 -0.15 0.00 0.00 55.06 54.82 3at1 s HIS 212 Cb -0.15 0.04 0.00 0.00 1.11 0.00 0.00 32.58 33.58 3at1 s HIS 212 CO 0.29 -0.83 0.00 0.43 -0.85 0.00 0.00 174.74 173.79 3at1 n SER 213 N -0.29 1.78 -4.41 1.40 7.64 -1.26 -4.36 113.62 114.12 3at1 n SER 213 Ca -0.05 -0.02 -0.32 0.00 1.01 0.00 0.00 58.87 59.49 3at1 n SER 213 Cb 0.63 0.39 -0.14 0.00 -1.01 0.00 0.00 64.21 64.08 3at1 n SER 213 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 3at1 s SER 214 N -0.75 3.62 0.23 6.43 0.01 -1.26 -4.98 113.70 117.00 3at1 s SER 214 Ca 0.00 -0.32 -0.08 0.00 1.31 0.00 0.00 55.95 56.85 3at1 s SER 214 Cb 0.00 -0.63 0.20 0.00 0.21 0.00 0.00 66.02 65.81 3at1 s SER 214 CO 0.00 0.33 1.90 0.40 0.41 0.00 0.00 173.24 176.28 3at1 h ILE 215 N 4.37 1.23 -0.07 1.44 2.04 -1.94 -1.24 117.51 123.34 3at1 h ILE 215 Ca -0.45 -0.43 0.02 0.00 1.00 0.00 0.00 64.86 65.00 3at1 h ILE 215 Cb 1.14 -0.06 -0.00 0.00 -0.74 0.00 0.00 36.82 37.16 3at1 h ILE 215 CO 0.49 0.22 0.24 1.05 0.00 0.00 0.00 178.15 180.15 3at1 h GLU 216 N 1.19 0.00 0.00 2.37 9.09 -1.96 0.89 114.58 126.16 3at1 h GLU 216 Ca 0.32 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.73 3at1 h GLU 216 Cb -0.13 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 26.97 3at1 h GLU 216 CO -0.07 0.00 0.00 0.93 0.05 0.00 0.00 179.01 179.92 3at1 h GLU 217 N 0.00 0.00 0.00 1.06 5.08 -1.61 -3.31 114.58 115.80 3at1 h GLU 217 Ca 0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 3at1 h GLU 217 Cb 0.51 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.76 3at1 h GLU 217 CO -0.00 0.00 0.00 1.33 -1.00 0.00 0.00 179.01 179.34 3at1 n VAL 218 N -2.65 0.00 0.14 3.13 0.24 0.19 -4.92 118.33 114.46 3at1 n VAL 218 Ca 0.00 -0.01 0.00 0.00 -2.04 0.00 0.00 64.34 62.29 3at1 n VAL 218 Cb 0.18 1.92 0.00 0.00 -1.47 0.00 0.00 33.84 34.47 3at1 n VAL 218 CO 0.00 0.00 0.00 0.80 -2.14 0.00 0.00 176.83 175.49 3at1 n MET 219 N -0.00 0.14 0.00 7.34 0.00 -0.49 -0.39 117.12 123.72 3at1 n MET 219 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.70 3at1 n MET 219 Cb 0.26 -1.22 0.00 0.00 0.00 0.00 0.00 33.22 32.25 3at1 n MET 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3at1 n ALA 220 N 0.65 0.00 -0.11 -5.12 0.00 -1.26 -3.34 120.51 111.33 3at1 n ALA 220 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 3at1 n ALA 220 Cb 0.05 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.35 3at1 n ALA 220 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3at1 n GLU 221 N 0.00 0.68 -2.54 0.00 4.71 0.48 -4.75 120.64 119.22 3at1 n GLU 221 Ca 0.00 0.05 -0.40 0.00 -0.01 0.00 0.00 57.16 56.79 3at1 n GLU 221 Cb 0.00 -1.52 -0.05 0.00 -1.01 0.00 0.00 31.44 28.86 3at1 n GLU 221 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 3at1 s VAL 222 N -2.50 3.62 -0.20 2.62 1.01 -1.14 -4.79 120.40 119.02 3at1 s VAL 222 Ca -0.19 1.63 0.14 0.00 0.00 0.00 0.00 61.98 63.56 3at1 s VAL 222 Cb 0.07 -4.04 -0.22 0.00 0.00 0.00 0.00 36.38 32.19 3at1 s VAL 222 CO 0.75 0.39 0.01 0.47 0.00 0.00 0.00 175.10 176.71 3at1 n ASP 223 N 1.28 0.66 -4.15 3.32 8.00 0.25 -4.53 116.55 121.38 3at1 n ASP 223 Ca -0.01 -0.03 -0.28 0.00 0.71 0.00 0.00 54.79 55.18 3at1 n ASP 223 Cb 0.45 0.69 -0.16 0.00 -0.02 0.00 0.00 41.12 42.08 3at1 n ASP 223 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3at1 s ILE 224 N -2.47 1.59 -0.38 0.53 -1.09 -1.07 -1.40 121.20 116.91 3at1 s ILE 224 Ca -0.14 -0.79 0.04 0.00 -2.23 0.00 0.00 60.65 57.53 3at1 s ILE 224 Cb 0.06 -1.37 0.11 0.00 -1.58 0.00 0.00 42.46 39.68 3at1 s ILE 224 CO 0.74 0.45 0.10 -0.22 -1.23 0.00 0.00 174.94 174.78 3at1 s LEU 225 N 0.15 4.61 -0.15 2.97 0.20 -0.04 -1.39 118.68 125.02 3at1 s LEU 225 Ca -0.08 -2.36 -0.25 0.00 0.69 0.00 0.00 54.13 52.14 3at1 s LEU 225 Cb -0.14 -1.62 -0.02 0.00 -0.43 0.00 0.00 46.19 43.99 3at1 s LEU 225 CO 0.04 -0.34 0.81 -0.47 -0.29 0.00 0.00 176.35 176.09 3at1 s TYR 226 N 0.62 3.44 -0.24 5.38 6.14 -0.01 -1.53 117.35 131.16 3at1 s TYR 226 Ca 0.12 1.25 -0.03 0.00 0.64 0.00 0.00 57.07 59.05 3at1 s TYR 226 Cb -0.21 -2.98 0.01 0.00 0.42 0.00 0.00 41.96 39.20 3at1 s TYR 226 CO -0.06 -0.19 -0.04 -1.64 0.64 0.00 0.00 175.55 174.26 3at1 s MET 227 N 1.93 3.14 0.15 4.97 -1.94 0.12 -0.62 119.30 127.04 3at1 s MET 227 Ca 0.38 -0.78 0.09 0.00 -1.71 0.00 0.00 55.69 53.67 3at1 s MET 227 Cb -0.17 -3.02 -0.04 0.00 2.01 0.00 0.00 34.83 33.61 3at1 s MET 227 CO 0.13 -0.30 -0.16 -0.08 -0.01 0.00 0.00 175.02 174.61 3at1 s THR 228 N 1.42 2.88 -0.10 2.05 -1.32 -0.68 -4.08 115.64 115.82 3at1 s THR 228 Ca 0.03 -1.62 -0.29 0.00 -1.21 0.00 0.00 61.69 58.60 3at1 s THR 228 Cb -0.15 -2.37 -0.05 0.00 -1.51 0.00 0.00 72.50 68.42 3at1 s THR 228 CO -0.04 0.00 1.72 -0.60 -2.21 0.00 0.00 174.62 173.50 3at1 s ARG 229 N -2.43 4.00 0.41 7.08 6.06 -1.26 -4.47 118.95 128.34 3at1 s ARG 229 Ca 0.20 2.08 -0.14 0.00 -2.50 0.00 0.00 55.73 55.38 3at1 s ARG 229 Cb -0.10 -4.05 -0.08 0.00 0.06 0.00 0.00 34.95 30.79 3at1 s ARG 229 CO 0.12 -1.07 0.82 0.08 -2.50 0.00 0.00 175.30 172.75 3at1 s VAL 230 N 4.71 4.68 -0.19 7.11 1.01 -1.26 -4.41 120.40 132.04 3at1 s VAL 230 Ca 0.76 0.89 0.01 0.00 0.00 0.00 0.00 61.98 63.65 3at1 s VAL 230 Cb -0.32 -3.69 0.03 0.00 0.00 0.00 0.00 36.38 32.39 3at1 s VAL 230 CO 0.31 -0.47 -0.18 -1.10 0.00 0.00 0.00 175.10 173.66 3at1 s GLN 231 N -3.66 2.87 0.12 2.72 1.11 -1.26 -5.01 119.66 116.56 3at1 s GLN 231 Ca 0.54 -0.91 -0.20 0.00 0.01 0.00 0.00 55.36 54.80 3at1 s GLN 231 Cb -0.10 -2.63 -0.02 0.00 -1.01 0.00 0.00 33.01 29.25 3at1 s GLN 231 CO 0.27 -0.27 1.08 1.63 0.01 0.00 0.00 175.29 178.01 3at1 n LYS 232 N 4.59 -0.29 -0.34 2.91 4.01 -1.26 -2.64 118.16 125.14 3at1 n LYS 232 Ca -0.20 1.06 0.32 0.00 -0.51 0.00 0.00 58.31 58.99 3at1 n LYS 232 Cb 0.49 -1.57 0.68 0.00 -0.51 0.00 0.00 35.03 34.12 3at1 n LYS 232 CO 0.00 0.00 0.00 1.05 -1.11 0.00 0.00 177.40 177.34 3at1 h GLU 233 N 0.00 0.12 -0.13 1.97 9.09 -2.00 -0.52 114.58 123.11 3at1 h GLU 233 Ca 0.13 -0.01 -0.19 0.00 0.05 0.00 0.00 59.36 59.35 3at1 h GLU 233 Cb 0.31 -0.03 -0.00 0.00 -1.65 0.00 0.00 28.75 27.38 3at1 h GLU 233 CO -0.67 0.08 -0.70 0.00 0.05 0.00 0.00 179.01 177.77 3at1 h ARG 234 N 0.12 0.56 -6.22 1.06 3.08 -1.95 -3.46 114.38 107.58 3at1 h ARG 234 Ca 0.60 -0.43 -0.46 0.00 0.07 0.00 0.00 59.98 59.75 3at1 h ARG 234 Cb 2.09 0.08 -0.01 0.00 0.08 0.00 0.00 29.97 32.21 3at1 h ARG 234 CO -0.12 1.05 -0.42 -0.51 -1.07 0.00 0.00 179.97 178.91 3at1 s LEU 235 N -8.19 4.14 0.22 3.04 1.02 -0.20 -5.07 118.68 113.63 3at1 s LEU 235 Ca -0.07 -0.06 -0.30 0.00 0.02 0.00 0.00 54.13 53.72 3at1 s LEU 235 Cb 0.10 -2.73 -0.09 0.00 0.02 0.00 0.00 46.19 43.49 3at1 s LEU 235 CO 0.86 -0.16 1.12 -0.62 0.02 0.00 0.00 176.35 177.57 3at1 s ASP 236 N -4.01 7.22 0.25 2.29 2.15 -1.26 -4.83 116.67 118.49 3at1 s ASP 236 Ca 0.37 2.20 0.05 0.00 0.43 0.00 0.00 52.55 55.60 3at1 s ASP 236 Cb -0.09 -2.61 0.71 0.00 -0.30 0.00 0.00 42.92 40.62 3at1 s ASP 236 CO 0.29 -0.22 1.21 -2.65 -0.17 0.00 0.00 175.17 173.62 3at1 n PRO 237 N 1.90 -0.06 0.18 4.34 -0.02 -1.26 0.47 135.00 140.55 3at1 n PRO 237 Ca 0.01 1.13 0.12 0.00 -2.02 0.00 0.00 63.50 62.74 3at1 n PRO 237 Cb 0.45 -1.85 0.18 0.00 -0.02 0.00 0.00 33.50 32.26 3at1 n PRO 237 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 3at1 h SER 238 N 0.00 0.00 0.31 2.55 0.02 -1.97 -2.20 113.55 112.26 3at1 h SER 238 Ca 0.52 -0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 61.44 3at1 h SER 238 Cb 1.17 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.71 3at1 h SER 238 CO -0.69 0.01 -0.15 -0.08 -1.14 0.00 0.00 176.83 174.78 3at1 h GLU 239 N 0.00 -0.40 0.15 3.45 4.81 -0.34 -3.29 114.58 118.96 3at1 h GLU 239 Ca 0.00 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 3at1 h GLU 239 Cb 0.95 0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.41 3at1 h GLU 239 CO 0.00 -0.13 -0.14 -0.92 -0.73 0.00 0.00 179.01 177.09 3at1 h TYR 240 N -1.03 -0.36 0.00 0.92 5.03 -1.02 -2.85 116.97 117.67 3at1 h TYR 240 Ca -0.04 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.27 3at1 h TYR 240 Cb 0.45 0.14 0.00 0.00 1.55 0.00 0.00 36.73 38.87 3at1 h TYR 240 CO 0.03 -0.21 0.00 0.00 -1.32 0.00 0.00 178.16 176.66 3at1 n ALA 241 N -2.34 1.70 -1.61 1.82 0.00 -0.83 -4.55 120.51 114.69 3at1 n ALA 241 Ca -0.08 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.34 3at1 n ALA 241 Cb 0.18 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.56 3at1 n ALA 241 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3at1 n ASN 242 N -0.87 0.00 -4.06 0.00 2.85 -1.08 -4.96 115.26 107.14 3at1 n ASN 242 Ca 0.03 0.00 -0.34 0.00 -0.11 0.00 0.00 54.58 54.16 3at1 n ASN 242 Cb 0.01 0.00 -0.02 0.00 1.24 0.00 0.00 39.78 41.01 3at1 n ASN 242 CO 0.00 0.00 0.00 1.33 -2.11 0.00 0.00 177.26 176.48 3at1 n VAL 243 N 0.00 -2.79 0.00 3.44 0.24 -1.26 -4.43 118.33 113.53 3at1 n VAL 243 Ca 0.00 -0.61 0.00 0.00 -2.04 0.00 0.00 64.34 61.69 3at1 n VAL 243 Cb 0.00 -2.32 0.00 0.00 -1.47 0.00 0.00 33.84 30.05 3at1 n VAL 243 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 3at1 n LYS 244 N -4.62 0.00 0.00 7.34 0.00 -1.26 -0.63 118.16 118.98 3at1 n LYS 244 Ca -0.22 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.09 3at1 n LYS 244 Cb 0.64 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.67 3at1 n LYS 244 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3at1 n ALA 245 N 0.00 0.95 -0.80 3.14 0.00 -1.26 -5.16 120.51 117.38 3at1 n ALA 245 Ca 0.00 -0.42 0.01 0.00 0.00 0.00 0.00 53.44 53.02 3at1 n ALA 245 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.45 3at1 n ALA 245 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 3at1 n GLN 246 N 0.00 -0.11 -2.25 0.00 7.27 0.19 -4.40 117.38 118.08 3at1 n GLN 246 Ca 0.00 0.07 -0.30 0.00 0.07 0.00 0.00 57.00 56.84 3at1 n GLN 246 Cb 0.49 -0.13 0.02 0.00 2.41 0.00 0.00 30.24 33.02 3at1 n GLN 246 CO 0.00 0.00 0.00 1.19 0.07 0.00 0.00 177.06 178.32 3at1 n PHE 247 N -1.65 3.24 -3.78 3.69 3.01 -1.26 -4.86 117.46 115.85 3at1 n PHE 247 Ca 0.00 -2.83 -0.21 0.00 1.01 0.00 0.00 57.45 55.42 3at1 n PHE 247 Cb 0.02 -0.45 -0.04 0.00 -0.01 0.00 0.00 39.48 39.01 3at1 n PHE 247 CO 0.00 0.00 0.00 0.14 1.01 0.00 0.00 176.76 177.91 3at1 s VAL 248 N -5.31 3.21 -0.05 -4.37 -7.23 -1.26 -4.85 120.40 100.53 3at1 s VAL 248 Ca 0.50 -1.41 0.06 0.00 -1.81 0.00 0.00 61.98 59.32 3at1 s VAL 248 Cb 0.42 -3.10 -0.02 0.00 0.56 0.00 0.00 36.38 34.24 3at1 s VAL 248 CO -0.23 -0.12 -0.23 -0.22 -0.31 0.00 0.00 175.10 173.99 3at1 s LEU 249 N -4.01 2.20 0.12 1.32 2.96 0.34 -4.99 118.68 116.62 3at1 s LEU 249 Ca 0.43 -0.45 0.06 0.00 -0.22 0.00 0.00 54.13 53.95 3at1 s LEU 249 Cb -0.04 -1.40 -0.04 0.00 0.50 0.00 0.00 46.19 45.20 3at1 s LEU 249 CO 0.26 0.27 -0.14 -0.60 -1.32 0.00 0.00 176.35 174.82 3at1 s ARG 250 N -0.32 1.03 0.39 1.98 3.52 -1.26 -0.63 118.95 123.66 3at1 s ARG 250 Ca 0.01 -1.25 0.07 0.00 -0.13 0.00 0.00 55.73 54.43 3at1 s ARG 250 Cb -0.13 -0.91 0.78 0.00 -1.56 0.00 0.00 34.95 33.13 3at1 s ARG 250 CO 0.02 0.17 1.98 0.00 -0.81 0.00 0.00 175.30 176.67 3at1 h ALA 251 N 3.49 1.58 -1.20 6.12 0.00 -1.90 -2.14 119.26 125.21 3at1 h ALA 251 Ca -0.40 -0.11 0.36 0.00 0.00 0.00 0.00 54.91 54.77 3at1 h ALA 251 Cb 1.20 -0.15 -0.11 0.00 0.00 0.00 0.00 17.79 18.73 3at1 h ALA 251 CO 0.51 0.33 0.78 0.77 0.00 0.00 0.00 179.25 181.63 3at1 h SER 252 N 0.48 0.32 -0.26 0.00 0.02 -1.97 0.27 113.55 112.41 3at1 h SER 252 Ca 0.12 0.11 -0.16 0.00 -0.84 0.00 0.00 61.79 61.02 3at1 h SER 252 Cb 0.12 0.07 -0.01 0.00 0.14 0.00 0.00 62.40 62.73 3at1 h SER 252 CO -0.01 -0.07 -0.44 0.44 -1.14 0.00 0.00 176.83 175.61 3at1 h ASP 253 N 0.21 0.89 0.03 3.07 3.32 -1.81 -2.67 116.42 119.46 3at1 h ASP 253 Ca 0.72 -0.43 0.00 0.00 0.02 0.00 0.00 57.03 57.34 3at1 h ASP 253 Cb 2.13 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 41.42 3at1 h ASP 253 CO -0.35 1.20 0.00 0.18 -1.72 0.00 0.00 179.24 178.55 3at1 n LEU 254 N -4.03 0.00 0.32 1.55 4.77 0.94 -3.42 117.00 117.13 3at1 n LEU 254 Ca -0.03 0.07 0.21 0.00 -0.03 0.00 0.00 56.01 56.23 3at1 n LEU 254 Cb 0.57 -0.07 1.05 0.00 -2.33 0.00 0.00 43.42 42.64 3at1 n LEU 254 CO 0.48 -0.05 1.12 1.12 -1.33 0.00 0.00 177.39 178.73 3at1 h HIS 255 N 0.00 0.00 -0.04 -1.77 2.07 -1.55 -2.68 115.15 111.18 3at1 h HIS 255 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 3at1 h HIS 255 Cb 0.02 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.00 3at1 h HIS 255 CO 0.00 0.00 0.00 0.27 -3.07 0.00 0.00 177.93 175.13 3at1 n ASN 256 N -3.12 2.36 -4.77 3.10 6.94 -1.22 -5.05 115.26 113.49 3at1 n ASN 256 Ca -0.02 -2.61 -0.37 0.00 -0.02 0.00 0.00 54.58 51.56 3at1 n ASN 256 Cb 0.14 -0.26 -0.01 0.00 -2.36 0.00 0.00 39.78 37.29 3at1 n ASN 256 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3at1 s ALA 257 N -2.06 2.92 0.68 -2.53 0.00 -1.01 -4.39 121.76 115.37 3at1 s ALA 257 Ca 0.20 0.93 -0.16 0.00 0.00 0.00 0.00 51.96 52.93 3at1 s ALA 257 Cb 0.17 -3.39 0.01 0.00 0.00 0.00 0.00 23.12 19.91 3at1 s ALA 257 CO 0.03 -0.70 1.21 0.15 0.00 0.00 0.00 175.76 176.45 3at1 s LYS 258 N -2.80 2.45 0.08 0.00 1.02 -1.26 -4.92 119.74 114.32 3at1 s LYS 258 Ca 0.65 1.79 -0.28 0.00 0.02 0.00 0.00 55.97 58.15 3at1 s LYS 258 Cb -0.28 -1.87 -0.16 0.00 -0.52 0.00 0.00 37.83 35.00 3at1 s LYS 258 CO 0.34 -1.60 1.68 0.00 -0.92 0.00 0.00 175.35 174.85 3at1 h ALA 259 N 0.14 -0.46 0.00 5.17 0.00 -1.95 -2.37 119.26 119.80 3at1 h ALA 259 Ca -0.49 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.33 3at1 h ALA 259 Cb 1.30 0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.28 3at1 h ALA 259 CO 0.52 -0.76 0.02 0.27 0.00 0.00 0.00 179.25 179.30 3at1 n ASN 260 N -5.30 0.07 -4.77 0.00 6.94 -1.26 -4.81 115.26 106.13 3at1 n ASN 260 Ca -0.10 0.52 -0.41 0.00 -0.02 0.00 0.00 54.58 54.57 3at1 n ASN 260 Cb 0.21 -0.53 -0.01 0.00 -2.36 0.00 0.00 39.78 37.09 3at1 n ASN 260 CO 0.00 0.00 0.00 -0.32 -1.03 0.00 0.00 177.26 175.91 3at1 s MET 261 N -3.04 4.24 -0.04 -3.83 1.75 -0.89 -4.89 119.30 112.60 3at1 s MET 261 Ca -0.00 2.38 0.04 0.00 -1.25 0.00 0.00 55.69 56.85 3at1 s MET 261 Cb 0.01 -3.02 -0.00 0.00 2.84 0.00 0.00 34.83 34.65 3at1 s MET 261 CO 0.03 -0.35 -0.15 0.15 -0.65 0.00 0.00 175.02 174.06 3at1 s LYS 262 N -1.92 1.48 -0.24 4.11 -0.14 -0.49 -4.55 119.74 117.99 3at1 s LYS 262 Ca 0.51 -0.51 -0.14 0.00 -1.36 0.00 0.00 55.97 54.47 3at1 s LYS 262 Cb -0.43 -1.32 -0.04 0.00 -1.68 0.00 0.00 37.83 34.36 3at1 s LYS 262 CO 0.58 0.21 0.32 0.08 -0.76 0.00 0.00 175.35 175.77 3at1 s VAL 263 N 0.05 5.24 0.05 3.17 1.01 0.01 -0.86 120.40 129.07 3at1 s VAL 263 Ca -0.03 0.49 0.08 0.00 0.00 0.00 0.00 61.98 62.52 3at1 s VAL 263 Cb -0.10 -3.65 -0.03 0.00 0.00 0.00 0.00 36.38 32.60 3at1 s VAL 263 CO 0.01 0.23 -0.20 -0.76 0.00 0.00 0.00 175.10 174.38 3at1 s LEU 264 N 1.60 2.50 -0.06 3.92 1.02 -0.58 -0.92 118.68 126.16 3at1 s LEU 264 Ca 0.14 -0.49 -0.03 0.00 0.02 0.00 0.00 54.13 53.76 3at1 s LEU 264 Cb -0.15 -1.45 0.03 0.00 0.02 0.00 0.00 46.19 44.64 3at1 s LEU 264 CO 0.08 0.24 0.14 -2.28 0.02 0.00 0.00 176.35 174.56 3at1 s HIS 265 N -0.93 -0.16 -0.78 0.29 2.46 -1.26 -0.70 115.29 114.21 3at1 s HIS 265 Ca 0.14 0.44 0.10 0.00 0.47 0.00 0.00 55.06 56.21 3at1 s HIS 265 Cb -0.10 -0.04 0.47 0.00 -0.13 0.00 0.00 32.58 32.78 3at1 s HIS 265 CO 0.05 -0.13 1.30 -0.35 -2.47 0.00 0.00 174.74 173.14 3at1 n PRO 266 N 3.79 0.05 -1.35 2.88 -0.04 -1.26 -4.80 135.00 134.27 3at1 n PRO 266 Ca -0.22 0.47 0.07 0.00 -0.04 0.00 0.00 63.50 63.79 3at1 n PRO 266 Cb 0.54 -1.64 -0.04 0.00 -0.04 0.00 0.00 33.50 32.33 3at1 n PRO 266 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3at1 n LEU 267 N -1.73 -1.05 -4.70 1.53 4.77 -1.26 -4.98 117.00 109.57 3at1 n LEU 267 Ca 0.01 2.06 -0.33 0.00 -0.03 0.00 0.00 56.01 57.72 3at1 n LEU 267 Cb 0.06 -2.79 0.12 0.00 -2.33 0.00 0.00 43.42 38.49 3at1 n LEU 267 CO 0.07 -1.18 0.76 -2.16 -1.33 0.00 0.00 177.39 173.54 3at1 s PRO 268 N -4.80 1.69 0.33 3.23 0.04 -1.26 -5.07 135.00 129.16 3at1 s PRO 268 Ca 0.00 1.68 0.09 0.00 0.04 0.00 0.00 61.00 62.81 3at1 s PRO 268 Cb 0.00 -1.79 -0.05 0.00 0.04 0.00 0.00 34.50 32.70 3at1 s PRO 268 CO 0.00 -2.15 -0.02 0.50 0.04 0.00 0.00 177.00 175.37 3at1 s ARG 269 N -4.22 2.04 0.00 4.56 3.00 -1.26 -4.71 118.95 118.36 3at1 s ARG 269 Ca 0.71 -1.74 0.00 0.00 -1.00 0.00 0.00 55.73 53.71 3at1 s ARG 269 Cb -0.27 -1.92 0.00 0.00 0.00 0.00 0.00 34.95 32.77 3at1 s ARG 269 CO 0.51 0.18 0.00 1.55 0.00 0.00 0.00 175.30 177.53 3at1 n VAL 270 N -0.90 0.00 -0.09 7.11 3.14 -1.26 -5.02 118.33 121.31 3at1 n VAL 270 Ca -0.05 0.00 -0.10 0.00 -2.96 0.00 0.00 64.34 61.24 3at1 n VAL 270 Cb 0.62 0.00 -0.13 0.00 -1.06 0.00 0.00 33.84 33.27 3at1 n VAL 270 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 3at1 n ASP 271 N -0.70 1.09 -0.60 6.55 8.00 -1.26 -4.68 116.55 124.95 3at1 n ASP 271 Ca 0.00 -0.02 0.48 0.00 0.71 0.00 0.00 54.79 55.96 3at1 n ASP 271 Cb 0.00 0.67 0.80 0.00 -0.02 0.00 0.00 41.12 42.57 3at1 n ASP 271 CO 0.00 0.00 0.00 1.05 -0.39 0.00 0.00 177.20 177.86 3at1 h GLU 272 N 0.00 0.00 -4.66 -1.24 9.09 -1.94 -3.29 114.58 112.54 3at1 h GLU 272 Ca -0.47 0.00 -0.64 0.00 0.05 0.00 0.00 59.36 58.30 3at1 h GLU 272 Cb 1.99 0.00 -0.37 0.00 -1.65 0.00 0.00 28.75 28.72 3at1 h GLU 272 CO 0.01 0.00 -0.81 0.42 0.05 0.00 0.00 179.01 178.68 3at1 s ILE 273 N -4.87 1.83 0.63 -1.06 1.01 -1.26 -0.50 121.20 116.97 3at1 s ILE 273 Ca -0.05 -1.26 -0.19 0.00 0.00 0.00 0.00 60.65 59.16 3at1 s ILE 273 Cb 0.26 -1.93 -0.02 0.00 0.01 0.00 0.00 42.46 40.77 3at1 s ILE 273 CO 0.86 0.07 1.30 0.00 0.00 0.00 0.00 174.94 177.17 3at1 s ALA 274 N 1.29 2.45 0.55 9.38 0.00 0.20 -4.88 121.76 130.75 3at1 s ALA 274 Ca -0.04 1.21 0.21 0.00 0.00 0.00 0.00 51.96 53.34 3at1 s ALA 274 Cb -0.18 -3.55 1.15 0.00 0.00 0.00 0.00 23.12 20.55 3at1 s ALA 274 CO -0.07 -1.53 1.63 1.15 0.00 0.00 0.00 175.76 176.94 3at1 h THR 275 N 0.70 0.00 0.00 0.00 2.02 -1.90 0.75 112.91 114.48 3at1 h THR 275 Ca -0.51 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.67 3at1 h THR 275 Cb 1.33 0.47 0.00 0.00 -1.74 0.00 0.00 68.15 68.21 3at1 h THR 275 CO 0.54 0.00 0.00 -2.24 0.37 0.00 0.00 175.52 174.19 3at1 h ASP 276 N 0.00 0.00 0.97 4.18 -0.00 -1.94 -2.98 116.42 116.66 3at1 h ASP 276 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 57.03 57.02 3at1 h ASP 276 Cb 0.91 0.00 -0.00 0.00 -0.00 0.00 0.00 39.33 40.24 3at1 h ASP 276 CO 0.00 0.00 -0.05 0.58 -0.00 0.00 0.00 179.24 179.77 3at1 h VAL 277 N 0.00 0.13 0.06 4.15 2.07 -1.17 -3.27 116.25 118.23 3at1 h VAL 277 Ca 0.00 -0.63 -0.00 0.00 0.82 0.00 0.00 66.70 66.88 3at1 h VAL 277 Cb 0.92 1.55 0.00 0.00 -1.52 0.00 0.00 31.29 32.25 3at1 h VAL 277 CO 0.00 0.05 -0.03 0.44 0.02 0.00 0.00 177.57 178.05 3at1 h ASP 278 N 0.00 -0.07 -0.05 0.57 3.45 -1.64 -1.97 116.42 116.70 3at1 h ASP 278 Ca -0.00 -0.32 0.00 0.00 0.43 0.00 0.00 57.03 57.14 3at1 h ASP 278 Cb 0.55 0.02 0.00 0.00 -0.56 0.00 0.00 39.33 39.34 3at1 h ASP 278 CO 0.01 0.29 0.00 2.29 -1.57 0.00 0.00 179.24 180.25 3at1 n LYS 279 N -4.96 1.20 -2.65 3.56 2.85 -1.23 -4.71 118.16 112.22 3at1 n LYS 279 Ca -0.08 -0.22 -0.30 0.00 -1.05 0.00 0.00 58.31 56.66 3at1 n LYS 279 Cb 0.20 -1.26 -0.02 0.00 -0.65 0.00 0.00 35.03 33.30 3at1 n LYS 279 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 177.40 178.30 3at1 s THR 280 N -1.59 4.78 -1.59 0.58 -4.23 -0.74 -4.94 115.64 107.90 3at1 s THR 280 Ca 0.04 0.61 0.21 0.00 -1.18 0.00 0.00 61.69 61.37 3at1 s THR 280 Cb 0.02 -3.78 0.44 0.00 1.34 0.00 0.00 72.50 70.53 3at1 s THR 280 CO 0.02 -0.69 1.68 -0.81 -0.54 0.00 0.00 174.62 174.29 3at1 n PRO 281 N -1.72 0.41 0.14 3.99 -0.04 -1.26 -2.65 135.00 133.88 3at1 n PRO 281 Ca 0.03 0.06 0.07 0.00 -0.04 0.00 0.00 63.50 63.62 3at1 n PRO 281 Cb 0.54 -1.50 0.05 0.00 -0.04 0.00 0.00 33.50 32.55 3at1 n PRO 281 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 3at1 h HIS 282 N 0.00 0.00 -2.53 0.54 3.86 -1.85 -3.47 115.15 111.70 3at1 h HIS 282 Ca 0.00 0.00 -0.54 0.00 -1.16 0.00 0.00 60.37 58.67 3at1 h HIS 282 Cb 0.14 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.62 3at1 h HIS 282 CO 0.00 0.24 1.13 0.00 0.86 0.00 0.00 177.93 180.16 3at1 s ALA 283 N -3.12 3.61 0.00 2.45 0.00 -1.08 -0.81 121.76 122.81 3at1 s ALA 283 Ca 0.03 1.11 0.00 0.00 0.00 0.00 0.00 51.96 53.10 3at1 s ALA 283 Cb 0.07 -3.78 0.00 0.00 0.00 0.00 0.00 23.12 19.42 3at1 s ALA 283 CO 0.74 -1.43 0.29 1.87 0.00 0.00 0.00 175.76 177.23 3at1 n TRP 284 N 7.12 0.00 -0.23 0.00 -0.00 -0.09 -4.88 117.44 119.35 3at1 n TRP 284 Ca 0.18 0.00 -0.04 0.00 -0.00 0.00 0.00 57.50 57.64 3at1 n TRP 284 Cb 0.42 0.00 0.14 0.00 -0.00 0.00 0.00 31.31 31.87 3at1 n TRP 284 CO 0.00 0.00 0.00 0.10 -0.00 0.00 0.00 177.69 177.79 3at1 h TYR 285 N 0.00 1.06 -0.04 5.87 -0.00 -1.83 -0.48 116.97 121.55 3at1 h TYR 285 Ca 0.00 -0.07 -0.10 0.00 0.00 0.00 0.00 58.73 58.57 3at1 h TYR 285 Cb 0.79 -0.32 -0.01 0.00 0.00 0.00 0.00 36.73 37.18 3at1 h TYR 285 CO 0.00 0.80 -0.42 0.74 -0.00 0.00 0.00 178.16 179.28 3at1 h PHE 286 N 1.03 0.10 0.23 0.10 0.04 -1.91 -0.04 116.94 116.49 3at1 h PHE 286 Ca 0.24 -0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.98 3at1 h PHE 286 Cb 0.18 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 38.31 3at1 h PHE 286 CO 0.02 0.50 -0.11 1.96 -0.60 0.00 0.00 178.31 180.07 3at1 h GLN 287 N 0.07 -0.30 -0.27 1.51 7.50 -1.82 -1.04 115.11 120.76 3at1 h GLN 287 Ca 0.00 0.02 0.07 0.00 0.50 0.00 0.00 58.65 59.24 3at1 h GLN 287 Cb 0.78 0.07 -0.07 0.00 0.05 0.00 0.00 27.48 28.30 3at1 h GLN 287 CO 0.06 -0.12 -0.25 0.37 -1.50 0.00 0.00 178.83 177.40 3at1 h GLN 288 N -0.41 -0.23 -0.77 1.46 4.15 -0.92 0.74 115.11 119.13 3at1 h GLN 288 Ca -0.03 0.02 0.16 0.00 0.77 0.00 0.00 58.65 59.57 3at1 h GLN 288 Cb 0.32 0.05 -0.14 0.00 0.21 0.00 0.00 27.48 27.92 3at1 h GLN 288 CO 0.05 -0.15 -0.12 0.00 -1.93 0.00 0.00 178.83 176.68 3at1 h ALA 289 N 0.83 0.62 -0.62 3.38 0.00 -0.81 0.20 119.26 122.85 3at1 h ALA 289 Ca 0.15 0.28 0.06 0.00 0.00 0.00 0.00 54.91 55.40 3at1 h ALA 289 Cb 0.47 0.53 -0.05 0.00 0.00 0.00 0.00 17.79 18.73 3at1 h ALA 289 CO -0.41 -0.42 0.33 0.78 0.00 0.00 0.00 179.25 179.52 3at1 h GLY 290 N 0.03 0.90 2.00 0.00 0.00 -0.53 -2.42 103.07 103.06 3at1 h GLY 290 Ca 0.39 -0.22 0.00 0.00 0.00 0.00 0.00 47.33 47.49 3at1 h GLY 290 CO -0.75 0.13 0.00 3.43 0.00 0.00 0.00 176.54 179.35 3at1 h ASN 291 N 0.61 0.00 -0.99 0.19 -0.26 0.18 -0.72 115.58 114.59 3at1 h ASN 291 Ca 0.28 0.00 0.23 0.00 -0.56 0.00 0.00 56.30 56.25 3at1 h ASN 291 Cb 0.19 0.00 -0.09 0.00 -1.06 0.00 0.00 38.32 37.37 3at1 h ASN 291 CO -0.19 0.00 0.64 1.23 -1.06 0.00 0.00 177.43 178.05 3at1 h GLY 292 N 0.51 1.19 0.89 2.83 0.00 -0.84 -2.39 103.07 105.27 3at1 h GLY 292 Ca 0.00 -0.22 -0.04 0.00 0.00 0.00 0.00 47.33 47.07 3at1 h GLY 292 CO 0.00 -0.08 0.05 -2.22 0.00 0.00 0.00 176.54 174.29 3at1 h ILE 293 N 0.46 1.23 0.00 2.60 5.03 -1.29 -1.09 117.51 124.46 3at1 h ILE 293 Ca 0.55 -0.81 -0.22 0.00 -0.12 0.00 0.00 64.86 64.27 3at1 h ILE 293 Cb 1.30 1.17 -0.03 0.00 -3.03 0.00 0.00 36.82 36.23 3at1 h ILE 293 CO -0.27 0.26 -1.07 -0.26 -0.68 0.00 0.00 178.15 176.14 3at1 h PHE 294 N 0.33 0.02 -0.13 1.37 0.04 -1.62 0.81 116.94 117.76 3at1 h PHE 294 Ca 0.09 -0.01 -0.03 0.00 2.80 0.00 0.00 57.97 60.82 3at1 h PHE 294 Cb 0.34 -0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.49 3at1 h PHE 294 CO 0.02 1.01 -0.02 0.00 -0.60 0.00 0.00 178.31 178.73 3at1 h ALA 295 N 0.98 0.18 -0.99 2.45 0.00 -1.51 0.16 119.26 120.54 3at1 h ALA 295 Ca -0.04 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 54.67 3at1 h ALA 295 Cb 1.80 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 19.49 3at1 h ALA 295 CO 0.13 -0.09 0.65 0.00 0.00 0.00 0.00 179.25 179.94 3at1 h ARG 296 N -0.04 1.31 0.23 0.00 -0.00 -1.05 -2.37 114.38 112.46 3at1 h ARG 296 Ca 0.04 -0.08 -0.01 0.00 -0.50 0.00 0.00 59.98 59.42 3at1 h ARG 296 Cb 0.42 -0.29 0.00 0.00 0.00 0.00 0.00 29.97 30.09 3at1 h ARG 296 CO 0.01 0.87 -0.11 1.96 0.00 0.00 0.00 179.97 182.70 3at1 h GLN 297 N 1.35 -0.29 -0.78 0.04 4.20 -0.67 -2.83 115.11 116.13 3at1 h GLN 297 Ca 0.36 0.02 0.17 0.00 0.06 0.00 0.00 58.65 59.27 3at1 h GLN 297 Cb -0.15 0.07 -0.14 0.00 0.30 0.00 0.00 27.48 27.56 3at1 h GLN 297 CO -0.08 -0.11 -0.06 0.00 -0.67 0.00 0.00 178.83 177.91 3at1 h ALA 298 N 0.33 0.72 -0.33 3.87 0.00 -0.45 0.27 119.26 123.68 3at1 h ALA 298 Ca -0.03 0.27 -0.11 0.00 0.00 0.00 0.00 54.91 55.04 3at1 h ALA 298 Cb 0.32 0.49 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 3at1 h ALA 298 CO 0.05 -0.43 -0.25 1.25 0.00 0.00 0.00 179.25 179.88 3at1 h LEU 299 N 0.06 0.66 -0.18 0.00 5.85 -1.28 -0.34 115.31 120.07 3at1 h LEU 299 Ca 0.41 -0.23 -0.20 0.00 0.84 0.00 0.00 57.88 58.70 3at1 h LEU 299 Cb 0.71 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.54 3at1 h LEU 299 CO -0.73 0.88 -0.93 -0.07 -0.34 0.00 0.00 178.44 177.26 3at1 h LEU 300 N 0.57 0.08 0.39 2.25 3.38 -1.16 0.11 115.31 120.93 3at1 h LEU 300 Ca 0.08 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 3at1 h LEU 300 Cb 0.72 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.45 3at1 h LEU 300 CO 0.06 0.96 -0.19 0.00 0.09 0.00 0.00 178.44 179.36 3at1 h ALA 301 N 1.03 -0.53 -0.35 1.53 0.00 -0.08 -2.25 119.26 118.62 3at1 h ALA 301 Ca -0.03 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 3at1 h ALA 301 Cb 1.61 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 19.59 3at1 h ALA 301 CO 0.13 -0.69 0.11 -0.07 0.00 0.00 0.00 179.25 178.72 3at1 h LEU 302 N -0.73 0.52 -0.80 0.00 3.38 -1.03 0.18 115.31 116.83 3at1 h LEU 302 Ca -0.05 -0.21 -0.09 0.00 0.09 0.00 0.00 57.88 57.62 3at1 h LEU 302 Cb 0.51 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 3at1 h LEU 302 CO 0.09 0.59 -0.07 0.58 0.09 0.00 0.00 178.44 179.72 3at1 h VAL 303 N 0.42 1.26 -0.27 1.22 2.07 -1.06 -3.16 116.25 116.72 3at1 h VAL 303 Ca 0.11 -1.13 0.00 0.00 0.82 0.00 0.00 66.70 66.50 3at1 h VAL 303 Cb 0.26 0.97 0.00 0.00 -1.52 0.00 0.00 31.29 31.00 3at1 h VAL 303 CO -0.00 0.39 0.00 0.18 0.02 0.00 0.00 177.57 178.16 3at1 n LEU 304 N -4.18 3.29 -4.01 2.57 4.77 -0.84 -0.87 117.00 117.73 3at1 n LEU 304 Ca 0.02 -1.34 -0.26 0.00 -0.03 0.00 0.00 56.01 54.39 3at1 n LEU 304 Cb 0.35 -0.17 -0.17 0.00 -2.33 0.00 0.00 43.42 41.11 3at1 n LEU 304 CO 0.43 0.66 -0.47 0.20 -1.33 0.00 0.00 177.39 176.88 3at1 s ASN 305 N -1.62 2.10 0.18 -1.43 0.01 0.62 -5.02 114.94 109.78 3at1 s ASN 305 Ca 0.35 -0.35 -0.24 0.00 -0.71 0.00 0.00 52.86 51.91 3at1 s ASN 305 Cb 0.21 -0.92 0.07 0.00 0.41 0.00 0.00 41.25 41.02 3at1 s ASN 305 CO 0.31 -0.01 1.57 -0.09 -1.51 0.00 0.00 177.10 177.37 3at1 h ARG 306 N 7.38 -0.19 -3.33 -0.60 9.65 -1.86 -3.41 114.38 122.02 3at1 h ARG 306 Ca -0.31 0.01 -0.17 0.00 -1.10 0.00 0.00 59.98 58.42 3at1 h ARG 306 Cb 1.17 0.04 -0.24 0.00 -1.39 0.00 0.00 29.97 29.55 3at1 h ARG 306 CO 0.47 -0.13 -0.48 -0.51 2.80 0.00 0.00 179.97 182.12 3at1 s ASP 307 N -5.17 -0.14 -0.29 -3.80 1.01 -1.26 0.59 116.67 107.61 3at1 s ASP 307 Ca -0.14 0.21 -0.11 0.00 0.71 0.00 0.00 52.55 53.22 3at1 s ASP 307 Cb 0.14 0.34 -0.04 0.00 1.01 0.00 0.00 42.92 44.37 3at1 s ASP 307 CO 0.67 -0.17 0.19 -0.76 0.21 0.00 0.00 175.17 175.31 3at1 s LEU 308 N -0.37 4.05 -0.76 1.23 2.01 -1.26 -4.96 118.68 118.62 3at1 s LEU 308 Ca -0.05 -0.09 0.03 0.00 0.01 0.00 0.00 54.13 54.03 3at1 s LEU 308 Cb -0.03 -2.11 0.24 0.00 0.01 0.00 0.00 46.19 44.30 3at1 s LEU 308 CO 0.01 -0.08 0.81 0.52 1.01 0.00 0.00 176.35 178.62 3at1 n VAL 309 N 5.06 2.76 -0.37 -1.59 0.31 -1.26 -5.11 118.33 118.13 3at1 n VAL 309 Ca -0.14 -5.24 0.00 0.00 -0.01 0.00 0.00 64.34 58.95 3at1 n VAL 309 Cb 0.52 -2.16 0.00 0.00 -0.91 0.00 0.00 33.84 31.29 3at1 n VAL 309 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51