#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 6.36 0.55 0.00 2.20 0.12 -4.91 114.94 119.26 3at1 s ASN 2 Ca 0.00 0.25 0.28 0.00 -0.94 0.00 0.00 52.86 52.45 3at1 s ASN 2 Cb 0.00 -1.95 1.60 0.00 -2.00 0.00 0.00 41.25 38.90 3at1 s ASN 2 CO 0.00 0.13 2.14 1.55 -2.94 0.00 0.00 177.10 177.98 3at1 h PRO 3 N 2.79 0.00 -0.18 3.55 0.13 -1.94 -1.16 132.00 135.19 3at1 h PRO 3 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 3at1 h PRO 3 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 3at1 h PRO 3 CO 0.74 0.08 0.00 1.28 -0.23 0.00 0.00 178.00 179.86 3at1 n LEU 4 N -3.70 2.96 -4.72 1.56 4.77 -1.26 -4.92 117.00 111.69 3at1 n LEU 4 Ca -0.02 -1.25 -0.42 0.00 -0.03 0.00 0.00 56.01 54.29 3at1 n LEU 4 Cb 0.18 -0.11 -0.03 0.00 -2.33 0.00 0.00 43.42 41.13 3at1 n LEU 4 CO 0.29 0.58 1.38 0.00 -1.33 0.00 0.00 177.39 178.30 3at1 n TYR 5 N 1.21 2.76 -1.28 -1.77 4.19 -0.44 -1.66 117.16 120.17 3at1 n TYR 5 Ca 0.14 0.04 -0.11 0.00 3.31 0.00 0.00 57.90 61.28 3at1 n TYR 5 Cb 0.53 -2.68 -0.05 0.00 0.49 0.00 0.00 39.34 37.63 3at1 n TYR 5 CO 0.00 0.00 0.00 0.94 0.91 0.00 0.00 176.86 178.71 3at1 n GLN 6 N 3.97 -1.65 -2.76 2.98 -0.06 0.10 -4.96 117.38 115.01 3at1 n GLN 6 Ca 0.16 0.84 -0.41 0.00 -2.00 0.00 0.00 57.00 55.60 3at1 n GLN 6 Cb 0.35 -5.17 -0.05 0.00 -4.06 0.00 0.00 30.24 21.31 3at1 n GLN 6 CO 0.00 0.00 0.00 0.15 -0.20 0.00 0.00 177.06 177.01 3at1 s LYS 7 N -2.87 4.72 0.47 3.69 -0.14 -0.66 -4.72 119.74 120.24 3at1 s LYS 7 Ca 0.00 1.43 -0.23 0.00 -1.36 0.00 0.00 55.97 55.81 3at1 s LYS 7 Cb 0.00 -3.35 -0.07 0.00 -1.68 0.00 0.00 37.83 32.73 3at1 s LYS 7 CO 0.00 0.30 1.28 -1.01 -0.76 0.00 0.00 175.35 175.16 3at1 s HIS 8 N -0.33 2.64 -0.31 3.18 3.76 -1.26 -4.67 115.29 118.31 3at1 s HIS 8 Ca 0.45 1.44 0.02 0.00 -0.15 0.00 0.00 55.06 56.81 3at1 s HIS 8 Cb -0.24 -3.62 0.07 0.00 1.11 0.00 0.00 32.58 29.91 3at1 s HIS 8 CO 0.30 -2.19 -0.01 0.42 -0.85 0.00 0.00 174.74 172.41 3at1 s ILE 9 N -1.37 2.50 -0.13 0.60 1.09 0.70 -4.89 121.20 119.70 3at1 s ILE 9 Ca 0.64 -1.82 -0.02 0.00 -1.10 0.00 0.00 60.65 58.36 3at1 s ILE 9 Cb -0.36 -2.60 -0.08 0.00 -1.06 0.00 0.00 42.46 38.37 3at1 s ILE 9 CO 0.44 -0.27 -0.13 -0.38 -0.10 0.00 0.00 174.94 174.49 3at1 n ILE 10 N 4.44 0.74 -3.93 2.92 5.41 -1.26 -0.70 119.36 126.98 3at1 n ILE 10 Ca -0.08 -0.25 -0.10 0.00 1.00 0.00 0.00 62.75 63.32 3at1 n ILE 10 Cb 0.42 -1.19 -0.12 0.00 -0.71 0.00 0.00 39.64 38.04 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 -5.56 0.14 0.41 4.38 0.15 -1.26 -4.60 113.70 107.36 3at1 s SER 11 Ca -0.18 -0.27 0.08 0.00 0.70 0.00 0.00 55.95 56.28 3at1 s SER 11 Cb 0.05 0.05 0.88 0.00 -1.71 0.00 0.00 66.02 65.30 3at1 s SER 11 CO 0.28 -0.16 2.04 0.40 1.20 0.00 0.00 173.24 177.00 3at1 h ILE 12 N 4.88 1.06 0.00 6.45 1.08 -1.94 -1.45 117.51 127.58 3at1 h ILE 12 Ca -0.28 -0.19 -0.02 0.00 -0.39 0.00 0.00 64.86 63.98 3at1 h ILE 12 Cb 1.21 0.47 -0.00 0.00 -3.07 0.00 0.00 36.82 35.43 3at1 h ILE 12 CO 0.46 0.10 -0.08 0.78 -0.69 0.00 0.00 178.15 178.71 3at1 h ASN 13 N 0.54 0.00 1.61 1.72 2.35 -1.96 -0.73 115.58 119.11 3at1 h ASN 13 Ca 0.18 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.88 3at1 h ASN 13 Cb 0.06 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.43 3at1 h ASN 13 CO -0.04 0.08 -0.23 0.44 -1.65 0.00 0.00 177.43 176.03 3at1 h ASP 14 N 0.00 0.00 -3.49 5.81 3.32 -1.67 -3.47 116.42 116.92 3at1 h ASP 14 Ca -0.00 0.00 -0.50 0.00 0.02 0.00 0.00 57.03 56.55 3at1 h ASP 14 Cb 0.19 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.75 3at1 h ASP 14 CO 0.01 0.23 0.04 -0.76 -1.72 0.00 0.00 179.24 177.04 3at1 s LEU 15 N -6.38 3.82 0.43 1.55 1.43 -0.28 -5.05 118.68 114.20 3at1 s LEU 15 Ca 0.05 0.93 0.08 0.00 -1.03 0.00 0.00 54.13 54.15 3at1 s LEU 15 Cb 0.07 -3.82 -0.00 0.00 0.03 0.00 0.00 46.19 42.47 3at1 s LEU 15 CO 0.69 -0.41 0.49 -0.94 0.23 0.00 0.00 176.35 176.41 3at1 s SER 16 N -3.54 5.34 0.34 2.29 1.04 -1.26 -4.95 113.70 112.97 3at1 s SER 16 Ca 0.48 -0.60 0.03 0.00 0.48 0.00 0.00 55.95 56.33 3at1 s SER 16 Cb -0.10 -0.56 0.63 0.00 0.10 0.00 0.00 66.02 66.09 3at1 s SER 16 CO 0.36 -0.74 1.97 -0.09 0.98 0.00 0.00 173.24 175.71 3at1 h ARG 17 N 0.80 0.86 0.02 4.02 2.43 -1.96 0.11 114.38 120.66 3at1 h ARG 17 Ca -0.40 -0.05 -0.00 0.00 -0.81 0.00 0.00 59.98 58.72 3at1 h ARG 17 Cb 1.27 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 30.63 3at1 h ARG 17 CO 0.51 0.57 -0.01 -0.44 -1.51 0.00 0.00 179.97 179.08 3at1 h ASP 18 N 0.89 -0.03 -0.62 -3.80 3.32 -1.99 -0.40 116.42 113.79 3at1 h ASP 18 Ca 0.30 -0.55 0.12 0.00 0.02 0.00 0.00 57.03 56.93 3at1 h ASP 18 Cb 0.09 0.01 -0.09 0.00 0.22 0.00 0.00 39.33 39.55 3at1 h ASP 18 CO -0.09 0.55 0.10 0.44 -1.72 0.00 0.00 179.24 178.52 3at1 h ASP 19 N -0.61 -0.07 -0.45 6.45 3.45 -1.76 0.31 116.42 123.73 3at1 h ASP 19 Ca -0.00 0.13 0.07 0.00 0.43 0.00 0.00 57.03 57.66 3at1 h ASP 19 Cb 0.57 0.19 -0.06 0.00 -0.56 0.00 0.00 39.33 39.47 3at1 h ASP 19 CO 0.01 -0.03 0.10 -0.07 -1.57 0.00 0.00 179.24 177.68 3at1 h LEU 20 N 0.22 0.04 -0.07 1.55 3.38 -0.71 -1.67 115.31 118.04 3at1 h LEU 20 Ca 0.33 0.07 -0.00 0.00 0.09 0.00 0.00 57.88 58.37 3at1 h LEU 20 Cb 0.52 0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.36 3at1 h LEU 20 CO -0.45 0.05 0.04 0.78 0.09 0.00 0.00 178.44 178.96 3at1 h ASN 21 N 0.25 0.09 -0.74 -0.43 2.35 0.76 0.36 115.58 118.22 3at1 h ASN 21 Ca 0.22 -0.06 0.09 0.00 -0.55 0.00 0.00 56.30 56.00 3at1 h ASN 21 Cb 0.27 -0.02 -0.05 0.00 0.05 0.00 0.00 38.32 38.57 3at1 h ASN 21 CO -0.28 0.12 0.48 0.25 -1.65 0.00 0.00 177.43 176.36 3at1 h LEU 22 N 0.05 0.60 0.01 1.61 5.85 -0.71 0.30 115.31 123.03 3at1 h LEU 22 Ca 0.03 0.01 -0.25 0.00 0.84 0.00 0.00 57.88 58.51 3at1 h LEU 22 Cb 0.05 -0.11 0.02 0.00 0.37 0.00 0.00 40.66 40.98 3at1 h LEU 22 CO -0.00 0.36 -0.97 0.58 -0.34 0.00 0.00 178.44 178.07 3at1 h VAL 23 N 0.66 1.31 0.00 1.05 2.07 -0.78 -2.55 116.25 118.02 3at1 h VAL 23 Ca 0.33 -2.23 -0.05 0.00 0.82 0.00 0.00 66.70 65.57 3at1 h VAL 23 Cb 0.43 2.47 -0.01 0.00 -1.52 0.00 0.00 31.29 32.66 3at1 h VAL 23 CO -0.12 0.68 -0.25 -0.07 0.02 0.00 0.00 177.57 177.84 3at1 h LEU 24 N 0.27 0.00 0.23 2.57 4.07 0.12 -2.04 115.31 120.53 3at1 h LEU 24 Ca -0.13 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.82 3at1 h LEU 24 Cb 1.64 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.38 3at1 h LEU 24 CO 0.19 0.25 -0.11 0.00 -1.08 0.00 0.00 178.44 177.69 3at1 h ALA 25 N 1.75 -0.31 -0.05 1.53 0.00 -0.53 -2.44 119.26 119.20 3at1 h ALA 25 Ca -0.00 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.67 3at1 h ALA 25 Cb 0.60 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 3at1 h ALA 25 CO 0.03 -0.52 -0.26 1.15 0.00 0.00 0.00 179.25 179.65 3at1 h THR 26 N -0.61 1.21 -0.64 0.00 2.02 -1.34 -2.06 112.91 111.49 3at1 h THR 26 Ca -0.03 -1.01 -0.07 0.00 0.77 0.00 0.00 66.41 66.07 3at1 h THR 26 Cb 0.44 1.47 -0.03 0.00 -1.74 0.00 0.00 68.15 68.30 3at1 h THR 26 CO 0.05 0.30 0.13 0.00 0.37 0.00 0.00 175.52 176.37 3at1 h ALA 27 N 1.65 0.85 -0.42 6.16 0.00 -1.26 -1.72 119.26 124.51 3at1 h ALA 27 Ca 0.01 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.62 3at1 h ALA 27 Cb 0.51 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 3at1 h ALA 27 CO 0.04 0.59 0.07 0.00 0.00 0.00 0.00 179.25 179.95 3at1 h ALA 28 N 1.05 0.56 0.64 0.00 0.00 -1.08 0.22 119.26 120.65 3at1 h ALA 28 Ca 0.20 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 3at1 h ALA 28 Cb 0.40 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 18.04 3at1 h ALA 28 CO 0.01 0.28 -0.31 0.87 0.00 0.00 0.00 179.25 180.09 3at1 h LYS 29 N 0.55 -0.83 -0.84 0.00 1.57 -1.01 -1.49 116.57 114.53 3at1 h LYS 29 Ca 0.13 0.06 0.11 0.00 -1.87 0.00 0.00 60.65 59.07 3at1 h LYS 29 Cb 0.37 0.19 -0.06 0.00 0.08 0.00 0.00 32.23 32.81 3at1 h LYS 29 CO 0.01 -0.53 0.54 -0.07 -0.57 0.00 0.00 179.45 178.83 3at1 h LEU 30 N -0.93 0.68 -1.22 2.94 3.38 -1.39 0.48 115.31 119.26 3at1 h LEU 30 Ca -0.09 0.02 -0.08 0.00 0.09 0.00 0.00 57.88 57.83 3at1 h LEU 30 Cb 0.68 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 3at1 h LEU 30 CO 0.14 0.39 -0.37 0.50 0.09 0.00 0.00 178.44 179.20 3at1 h LYS 31 N 0.75 0.00 0.17 1.13 3.64 -0.45 -3.18 116.57 118.63 3at1 h LYS 31 Ca 0.40 0.00 -0.35 0.00 -1.27 0.00 0.00 60.65 59.43 3at1 h LYS 31 Cb 0.51 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.34 3at1 h LYS 31 CO -0.16 0.37 -1.75 0.00 -2.27 0.00 0.00 179.45 175.63 3at1 h ALA 32 N 1.63 0.20 -2.83 5.00 0.00 0.23 -3.43 119.26 120.07 3at1 h ALA 32 Ca -0.00 -1.17 -0.56 0.00 0.00 0.00 0.00 54.91 53.18 3at1 h ALA 32 Cb 0.72 0.46 -0.40 0.00 0.00 0.00 0.00 17.79 18.57 3at1 h ALA 32 CO 0.05 1.07 -0.79 1.21 0.00 0.00 0.00 179.25 180.79 3at1 s ASN 33 N -7.22 3.50 0.39 0.00 3.04 0.14 -5.10 114.94 109.69 3at1 s ASN 33 Ca -0.16 -1.72 -0.25 0.00 0.04 0.00 0.00 52.86 50.77 3at1 s ASN 33 Cb 0.06 -0.53 -0.11 0.00 -1.54 0.00 0.00 41.25 39.13 3at1 s ASN 33 CO 0.85 -0.38 1.02 -0.81 -3.04 0.00 0.00 177.10 174.73 3at1 n PRO 34 N 4.69 1.39 -3.36 0.43 -0.04 -1.20 -4.01 135.00 132.89 3at1 n PRO 34 Ca 0.01 0.50 -0.26 0.00 -0.04 0.00 0.00 63.50 63.70 3at1 n PRO 34 Cb 0.40 -2.02 -0.08 0.00 -0.04 0.00 0.00 33.50 31.77 3at1 n PRO 34 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 3at1 n GLN 35 N 0.28 2.21 0.16 0.54 -0.06 -1.26 -4.98 117.38 114.27 3at1 n GLN 35 Ca 0.09 -4.41 0.12 0.00 -2.00 0.00 0.00 57.00 50.80 3at1 n GLN 35 Cb 0.38 -2.06 0.57 0.00 -4.06 0.00 0.00 30.24 25.06 3at1 n GLN 35 CO 0.00 0.00 0.00 -0.35 -0.20 0.00 0.00 177.06 176.51 3at1 n PRO 36 N 0.92 0.17 -0.57 3.69 -0.04 -1.26 -1.95 135.00 135.96 3at1 n PRO 36 Ca 0.28 0.56 0.06 0.00 -0.04 0.00 0.00 63.50 64.37 3at1 n PRO 36 Cb 0.43 -1.95 0.17 0.00 -0.04 0.00 0.00 33.50 32.11 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 -2.29 1.31 -0.18 0.54 1.02 -1.25 -2.81 120.64 116.98 3at1 n GLU 37 Ca -0.00 -2.94 -0.08 0.00 -0.02 0.00 0.00 57.16 54.12 3at1 n GLU 37 Cb 0.11 -1.40 0.01 0.00 -0.02 0.00 0.00 31.44 30.15 3at1 n GLU 37 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 3at1 h LEU 38 N 0.74 0.72 -3.23 -4.62 5.85 -0.96 -3.03 115.31 110.79 3at1 h LEU 38 Ca -0.02 -0.18 -0.10 0.00 0.84 0.00 0.00 57.88 58.41 3at1 h LEU 38 Cb 1.10 -0.19 -0.06 0.00 0.37 0.00 0.00 40.66 41.88 3at1 h LEU 38 CO 0.01 0.71 -0.16 0.18 -0.34 0.00 0.00 178.44 178.84 3at1 n LEU 39 N -4.52 3.62 -4.53 2.25 4.77 0.18 -5.01 117.00 113.75 3at1 n LEU 39 Ca 0.02 -3.67 -0.38 0.00 -0.03 0.00 0.00 56.01 51.95 3at1 n LEU 39 Cb 0.17 -0.58 0.04 0.00 -2.33 0.00 0.00 43.42 40.72 3at1 n LEU 39 CO 0.38 1.18 0.27 2.29 -1.33 0.00 0.00 177.39 180.19 3at1 n LYS 40 N -1.08 0.66 -0.32 3.23 2.85 -1.15 -1.59 118.16 120.76 3at1 n LYS 40 Ca 0.27 0.26 0.00 0.00 -1.05 0.00 0.00 58.31 57.79 3at1 n LYS 40 Cb 0.91 -1.90 0.00 0.00 -0.65 0.00 0.00 35.03 33.38 3at1 n LYS 40 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 3at1 n HIS 41 N -1.73 0.00 -3.19 5.58 8.25 -1.26 -4.95 115.22 117.92 3at1 n HIS 41 Ca 0.13 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.25 3at1 n HIS 41 Cb 0.47 -1.13 -0.06 0.00 1.12 0.00 0.00 29.99 30.39 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 -0.50 4.03 -0.06 -0.41 -0.14 -0.62 -4.98 119.74 117.05 3at1 s LYS 42 Ca 0.00 0.64 0.06 0.00 -1.36 0.00 0.00 55.97 55.31 3at1 s LYS 42 Cb 0.00 -2.62 -0.01 0.00 -1.68 0.00 0.00 37.83 33.52 3at1 s LYS 42 CO 0.00 0.27 -0.24 0.08 -0.76 0.00 0.00 175.35 174.70 3at1 s VAL 43 N -1.80 2.00 -0.03 3.17 1.01 -1.26 -1.63 120.40 121.87 3at1 s VAL 43 Ca 0.49 -1.04 0.06 0.00 0.00 0.00 0.00 61.98 61.49 3at1 s VAL 43 Cb -0.12 -1.70 -0.01 0.00 0.00 0.00 0.00 36.38 34.55 3at1 s VAL 43 CO 0.19 0.56 -0.21 -0.63 0.00 0.00 0.00 175.10 175.00 3at1 s ILE 44 N -0.12 1.71 0.14 2.22 -1.09 -0.45 -0.77 121.20 122.84 3at1 s ILE 44 Ca -0.04 -0.90 -0.20 0.00 -2.23 0.00 0.00 60.65 57.27 3at1 s ILE 44 Cb -0.14 -1.44 -0.07 0.00 -1.58 0.00 0.00 42.46 39.23 3at1 s ILE 44 CO 0.04 0.48 0.65 0.00 -1.23 0.00 0.00 174.94 174.88 3at1 s ALA 45 N -0.31 3.51 -0.34 9.38 0.00 -0.69 -1.50 121.76 131.81 3at1 s ALA 45 Ca 0.03 0.11 0.04 0.00 0.00 0.00 0.00 51.96 52.14 3at1 s ALA 45 Cb -0.10 -2.73 0.10 0.00 0.00 0.00 0.00 23.12 20.39 3at1 s ALA 45 CO 0.01 0.37 0.06 0.45 0.00 0.00 0.00 175.76 176.64 3at1 s SER 46 N -1.35 4.70 -0.76 0.00 0.15 0.43 -1.31 113.70 115.56 3at1 s SER 46 Ca 0.35 -2.13 -0.10 0.00 0.70 0.00 0.00 55.95 54.77 3at1 s SER 46 Cb -0.19 -1.56 0.20 0.00 -1.71 0.00 0.00 66.02 62.76 3at1 s SER 46 CO 0.21 -0.38 0.65 0.00 1.20 0.00 0.00 173.24 174.92 3at1 s PHE 48 N 0.06 3.48 0.26 0.00 0.40 -0.81 -1.35 117.98 120.03 3at1 s PHE 48 Ca 0.18 -1.68 -0.01 0.00 -0.60 0.00 0.00 56.93 54.82 3at1 s PHE 48 Cb -0.14 -3.76 0.33 0.00 0.51 0.00 0.00 43.02 39.96 3at1 s PHE 48 CO -0.07 -1.00 1.71 0.74 0.70 0.00 0.00 175.22 177.31 3at1 h PHE 49 N 8.32 0.73 -3.23 0.36 -1.00 -1.60 0.37 116.94 120.89 3at1 h PHE 49 Ca -0.11 -0.14 -0.66 0.00 2.81 0.00 0.00 57.97 59.86 3at1 h PHE 49 Cb 1.07 -0.19 -0.15 0.00 3.61 0.00 0.00 35.95 40.29 3at1 h PHE 49 CO 0.85 0.78 -0.60 -2.00 -1.61 0.00 0.00 178.31 175.73 3at1 s GLU 50 N -4.70 3.26 -0.06 1.51 2.12 -1.16 -0.58 118.70 119.08 3at1 s GLU 50 Ca -0.08 -0.37 -0.24 0.00 0.36 0.00 0.00 54.97 54.63 3at1 s GLU 50 Cb 0.14 -2.92 -0.04 0.00 0.26 0.00 0.00 34.13 31.58 3at1 s GLU 50 CO 0.81 0.60 0.72 0.00 -0.54 0.00 0.00 175.26 176.85 3at1 s ALA 51 N -0.59 3.32 -0.44 6.30 0.00 -1.25 -4.73 121.76 124.38 3at1 s ALA 51 Ca 0.10 0.16 0.06 0.00 0.00 0.00 0.00 51.96 52.28 3at1 s ALA 51 Cb -0.12 -2.98 0.18 0.00 0.00 0.00 0.00 23.12 20.20 3at1 s ALA 51 CO 0.02 -0.11 0.55 0.45 0.00 0.00 0.00 175.76 176.67 3at1 s SER 52 N 0.81 -0.33 0.51 0.00 0.15 -1.26 -5.07 113.70 108.51 3at1 s SER 52 Ca 0.39 -1.70 0.16 0.00 0.70 0.00 0.00 55.95 55.49 3at1 s SER 52 Cb -0.18 1.19 1.24 0.00 -1.71 0.00 0.00 66.02 66.56 3at1 s SER 52 CO 0.19 -0.15 2.14 0.74 1.20 0.00 0.00 173.24 177.36 3at1 h THR 53 N 4.94 1.00 -0.13 6.45 2.02 -1.97 -2.22 112.91 123.00 3at1 h THR 53 Ca 0.09 -0.01 -0.17 0.00 0.77 0.00 0.00 66.41 67.08 3at1 h THR 53 Cb 1.08 0.96 -0.00 0.00 -1.74 0.00 0.00 68.15 68.45 3at1 h THR 53 CO 0.14 0.01 -0.64 -0.09 0.37 0.00 0.00 175.52 175.31 3at1 h ARG 54 N 0.04 0.50 -0.24 6.66 2.43 -1.99 0.75 114.38 122.53 3at1 h ARG 54 Ca 0.01 -0.35 -0.18 0.00 -0.81 0.00 0.00 59.98 58.65 3at1 h ARG 54 Cb 0.01 0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.62 3at1 h ARG 54 CO -0.00 0.97 -0.54 1.15 -1.51 0.00 0.00 179.97 180.04 3at1 h THR 55 N 0.36 1.29 -0.34 0.20 2.02 -1.95 -2.15 112.91 112.34 3at1 h THR 55 Ca -0.01 -1.74 -0.03 0.00 0.77 0.00 0.00 66.41 65.40 3at1 h THR 55 Cb 1.20 1.76 -0.01 0.00 -1.74 0.00 0.00 68.15 69.35 3at1 h THR 55 CO 0.12 0.56 0.10 -0.09 0.37 0.00 0.00 175.52 176.57 3at1 h ARG 56 N 0.53 0.53 -0.62 6.66 2.43 -1.40 -0.50 114.38 122.01 3at1 h ARG 56 Ca 0.00 -0.12 -0.07 0.00 -0.81 0.00 0.00 59.98 58.98 3at1 h ARG 56 Cb 1.15 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 30.60 3at1 h ARG 56 CO 0.12 0.57 0.12 -0.07 -1.51 0.00 0.00 179.97 179.20 3at1 h LEU 57 N 0.39 0.95 0.22 3.80 3.38 -0.73 -1.31 115.31 122.02 3at1 h LEU 57 Ca 0.11 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.87 3at1 h LEU 57 Cb 0.27 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 3at1 h LEU 57 CO -0.00 0.94 -0.20 -1.28 0.09 0.00 0.00 178.44 177.99 3at1 h SER 58 N 0.95 -0.52 -0.17 -0.43 0.87 -1.27 -1.51 113.55 111.46 3at1 h SER 58 Ca 0.19 0.05 -0.01 0.00 -1.23 0.00 0.00 61.79 60.79 3at1 h SER 58 Cb 0.39 0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 62.52 3at1 h SER 58 CO 0.01 -0.30 0.08 -0.26 -0.53 0.00 0.00 176.83 175.83 3at1 h PHE 59 N -0.44 0.25 0.00 2.24 0.05 -0.80 0.01 116.94 118.25 3at1 h PHE 59 Ca -0.01 -0.01 -0.07 0.00 3.82 0.00 0.00 57.97 61.70 3at1 h PHE 59 Cb 0.40 -0.08 -0.01 0.00 2.00 0.00 0.00 35.95 38.27 3at1 h PHE 59 CO -0.14 0.29 -0.33 1.96 -0.18 0.00 0.00 178.31 179.92 3at1 h GLN 60 N 0.14 0.00 0.03 1.51 4.20 -1.24 -0.56 115.11 119.20 3at1 h GLN 60 Ca 0.06 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.77 3at1 h GLN 60 Cb 0.14 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.92 3at1 h GLN 60 CO -0.01 0.33 -0.02 1.15 -0.67 0.00 0.00 178.83 179.61 3at1 h THR 61 N 0.00 1.20 -0.26 -0.54 2.02 -0.89 -0.51 112.91 113.94 3at1 h THR 61 Ca -0.00 -0.75 0.06 0.00 0.77 0.00 0.00 66.41 66.49 3at1 h THR 61 Cb 0.58 1.70 -0.07 0.00 -1.74 0.00 0.00 68.15 68.62 3at1 h THR 61 CO 0.04 0.19 -0.19 0.28 0.37 0.00 0.00 175.52 176.22 3at1 h SER 62 N -0.37 -0.61 -0.50 4.18 0.02 -0.58 0.15 113.55 115.85 3at1 h SER 62 Ca -0.00 0.12 0.09 0.00 -0.84 0.00 0.00 61.79 61.16 3at1 h SER 62 Cb 0.35 0.30 -0.07 0.00 0.14 0.00 0.00 62.40 63.12 3at1 h SER 62 CO 0.01 -0.23 0.07 0.24 -1.14 0.00 0.00 176.83 175.78 3at1 h MET 63 N -0.17 0.19 -0.25 3.45 2.07 -1.06 -0.73 114.93 118.42 3at1 h MET 63 Ca 0.14 -0.01 -0.02 0.00 -2.07 0.00 0.00 59.70 57.74 3at1 h MET 63 Cb 0.39 -0.04 -0.01 0.00 -1.87 0.00 0.00 31.60 30.06 3at1 h MET 63 CO -0.36 0.12 0.06 0.45 1.07 0.00 0.00 176.91 178.25 3at1 h HIS 64 N 0.19 0.35 0.00 -0.22 3.86 0.09 -1.97 115.15 117.44 3at1 h HIS 64 Ca 0.25 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.45 3at1 h HIS 64 Cb 0.35 -0.11 0.00 0.00 1.06 0.00 0.00 27.41 28.71 3at1 h HIS 64 CO -0.25 0.31 0.00 0.54 0.86 0.00 0.00 177.93 179.39 3at1 n ARG 65 N -4.40 0.03 -0.11 2.45 5.12 0.42 -2.03 116.66 118.15 3at1 n ARG 65 Ca 0.01 0.19 0.07 0.00 -1.93 0.00 0.00 57.85 56.19 3at1 n ARG 65 Cb 0.16 -1.50 0.13 0.00 -1.16 0.00 0.00 32.46 30.08 3at1 n ARG 65 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 3at1 n LEU 66 N -1.47 2.67 0.00 0.55 4.77 -0.81 -4.02 117.00 118.69 3at1 n LEU 66 Ca 0.05 -1.48 0.00 0.00 -0.03 0.00 0.00 56.01 54.54 3at1 n LEU 66 Cb 0.19 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 3at1 n LEU 66 CO 0.16 0.59 0.00 0.61 -1.33 0.00 0.00 177.39 177.42 3at1 n GLY 67 N 0.80 0.68 3.92 -0.72 0.00 -0.86 0.48 105.19 109.50 3at1 n GLY 67 Ca 0.11 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.00 3.74 0.24 4.61 0.00 -0.81 -3.56 121.76 123.98 3at1 s ALA 68 Ca 0.00 -0.74 -0.17 0.00 0.00 0.00 0.00 51.96 51.05 3at1 s ALA 68 Cb 0.00 -2.12 -0.08 0.00 0.00 0.00 0.00 23.12 20.92 3at1 s ALA 68 CO 0.00 0.31 0.69 -1.12 0.00 0.00 0.00 175.76 175.63 3at1 s SER 69 N -3.27 6.91 -0.05 0.00 0.01 -0.64 -4.11 113.70 112.54 3at1 s SER 69 Ca 0.41 1.29 0.05 0.00 1.31 0.00 0.00 55.95 59.00 3at1 s SER 69 Cb -0.11 -2.37 -0.01 0.00 0.21 0.00 0.00 66.02 63.75 3at1 s SER 69 CO 0.30 -0.03 -0.20 -0.69 0.41 0.00 0.00 173.24 173.03 3at1 s VAL 70 N -1.66 1.64 0.17 3.43 1.01 -1.26 -1.34 120.40 122.38 3at1 s VAL 70 Ca 0.46 -0.83 0.03 0.00 0.00 0.00 0.00 61.98 61.63 3at1 s VAL 70 Cb -0.14 -1.41 -0.05 0.00 0.00 0.00 0.00 36.38 34.79 3at1 s VAL 70 CO 0.20 0.47 -0.04 0.68 0.00 0.00 0.00 175.10 176.40 3at1 s VAL 71 N -0.01 0.89 -5.00 2.92 -7.23 -0.56 -4.92 120.40 106.48 3at1 s VAL 71 Ca -0.04 -2.01 0.00 0.00 -1.81 0.00 0.00 61.98 58.12 3at1 s VAL 71 Cb -0.12 -2.02 0.00 0.00 0.56 0.00 0.00 36.38 34.80 3at1 s VAL 71 CO 0.03 -0.59 0.00 0.61 -0.31 0.00 0.00 175.10 174.84 3at1 n GLY 72 N -0.23 -0.17 3.83 2.32 0.00 -1.26 -0.43 105.19 109.25 3at1 n GLY 72 Ca -0.08 -1.15 -0.07 0.00 0.00 0.00 0.00 46.02 44.72 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 -3.48 0.04 -0.42 1.61 -0.12 -0.92 -4.95 117.98 109.74 3at1 s PHE 73 Ca 0.00 -0.60 0.04 0.00 -0.05 0.00 0.00 56.93 56.32 3at1 s PHE 73 Cb 0.00 0.78 0.17 0.00 -0.63 0.00 0.00 43.02 43.33 3at1 s PHE 73 CO 0.00 -1.33 0.34 -1.12 -0.05 0.00 0.00 175.22 173.06 3at1 s SER 74 N -3.11 1.66 0.00 1.98 0.01 -1.25 -1.92 113.70 111.08 3at1 s SER 74 Ca 0.16 -3.04 0.00 0.00 1.31 0.00 0.00 55.95 54.38 3at1 s SER 74 Cb -0.04 -0.48 0.00 0.00 0.21 0.00 0.00 66.02 65.70 3at1 s SER 74 CO 0.09 -0.18 0.00 -0.67 0.41 0.00 0.00 173.24 172.89 3at1 n ASP 75 N 2.89 0.00 0.00 2.44 -0.08 0.13 -4.68 116.55 117.25 3at1 n ASP 75 Ca 0.28 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.56 3at1 n ASP 75 Cb 0.47 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.93 3at1 n ASP 75 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 3at1 n SER 76 N 0.00 0.00 0.33 1.67 7.64 0.25 -3.76 113.62 119.76 3at1 n SER 76 Ca 0.00 0.00 -0.13 0.00 1.01 0.00 0.00 58.87 59.75 3at1 n SER 76 Cb 0.00 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.14 3at1 n SER 76 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3at1 h ALA 77 N 0.00 -1.07 0.00 -0.43 0.00 -1.87 -3.50 119.26 112.40 3at1 h ALA 77 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.72 3at1 h ALA 77 Cb 0.00 0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.12 3at1 h ALA 77 CO 0.00 -1.01 0.00 -1.71 0.00 0.00 0.00 179.25 176.53 3at1 n ASN 78 N -4.66 0.00 0.00 0.00 5.15 -1.26 -5.19 115.26 109.30 3at1 n ASN 78 Ca -0.11 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.87 3at1 n ASN 78 Cb 0.34 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.59 3at1 n ASN 78 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 3at1 n THR 79 N -1.86 0.00 -2.65 -0.44 -2.24 -1.26 -4.91 114.28 100.91 3at1 n THR 79 Ca 0.00 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.36 3at1 n THR 79 Cb 0.00 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.20 3at1 n THR 79 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3at1 s SER 80 N 1.00 6.33 0.08 3.42 1.04 -1.26 -4.86 113.70 119.45 3at1 s SER 80 Ca 0.00 -1.06 -0.27 0.00 0.48 0.00 0.00 55.95 55.10 3at1 s SER 80 Cb 0.00 -2.52 0.08 0.00 0.10 0.00 0.00 66.02 63.68 3at1 s SER 80 CO 0.00 -1.57 0.91 -0.76 0.98 0.00 0.00 173.24 172.80 3at1 s LEU 81 N 4.82 -0.29 -1.09 2.42 1.43 -1.26 -5.04 118.68 119.68 3at1 s LEU 81 Ca 0.36 -0.20 0.00 0.00 -1.03 0.00 0.00 54.13 53.26 3at1 s LEU 81 Cb -0.07 2.12 0.00 0.00 0.03 0.00 0.00 46.19 48.28 3at1 s LEU 81 CO 0.03 -0.78 0.00 0.61 0.23 0.00 0.00 176.35 176.44 3at1 n GLY 82 N -0.36 -0.29 3.05 -3.19 0.00 -1.26 -4.88 105.19 98.27 3at1 n GLY 82 Ca -0.08 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.86 3at1 n GLY 82 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3at1 n LYS 83 N -2.68 0.90 -0.26 1.61 4.01 -1.26 -4.99 118.16 115.49 3at1 n LYS 83 Ca -0.14 -1.87 0.00 0.00 -0.51 0.00 0.00 58.31 55.79 3at1 n LYS 83 Cb 0.59 2.27 0.00 0.00 -0.51 0.00 0.00 35.03 37.38 3at1 n LYS 83 CO 0.00 0.00 0.00 1.17 -1.11 0.00 0.00 177.40 177.46 3at1 n LYS 84 N -0.44 0.00 0.00 1.97 0.00 -1.26 -1.81 118.16 116.62 3at1 n LYS 84 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.24 3at1 n LYS 84 Cb 0.49 -3.24 0.00 0.00 0.00 0.00 0.00 35.03 32.28 3at1 n LYS 84 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3at1 n GLY 85 N -1.14 0.72 3.69 3.14 0.00 -1.26 -5.11 105.19 105.23 3at1 n GLY 85 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 4.39 0.52 1.61 2.12 -0.75 -5.02 118.70 121.57 3at1 s GLU 86 Ca 0.00 1.46 -0.08 0.00 0.36 0.00 0.00 54.97 56.71 3at1 s GLU 86 Cb 0.00 -3.55 -0.04 0.00 0.26 0.00 0.00 34.13 30.79 3at1 s GLU 86 CO 0.00 -0.37 0.88 0.95 -0.54 0.00 0.00 175.26 176.18 3at1 s THR 87 N 2.16 4.81 0.22 -1.70 -4.23 -1.26 -4.48 115.64 111.15 3at1 s THR 87 Ca 0.50 0.53 -0.08 0.00 -1.18 0.00 0.00 61.69 61.46 3at1 s THR 87 Cb -0.20 -3.85 0.17 0.00 1.34 0.00 0.00 72.50 69.97 3at1 s THR 87 CO 0.18 -0.92 1.80 0.25 -0.54 0.00 0.00 174.62 175.40 3at1 h LEU 88 N 0.16 1.08 -0.69 4.79 5.85 -1.98 -0.29 115.31 124.24 3at1 h LEU 88 Ca -0.46 -0.14 0.05 0.00 0.84 0.00 0.00 57.88 58.17 3at1 h LEU 88 Cb 1.20 -0.28 -0.05 0.00 0.37 0.00 0.00 40.66 41.90 3at1 h LEU 88 CO 0.62 0.92 0.40 0.00 -0.34 0.00 0.00 178.44 180.04 3at1 h ALA 89 N 1.20 0.92 -0.01 1.25 0.00 -1.94 0.36 119.26 121.05 3at1 h ALA 89 Ca 0.28 0.00 -0.19 0.00 0.00 0.00 0.00 54.91 55.00 3at1 h ALA 89 Cb 0.14 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 3at1 h ALA 89 CO -0.03 0.10 -0.84 -0.44 0.00 0.00 0.00 179.25 178.04 3at1 h ASP 90 N 0.75 0.29 -0.25 0.00 3.45 -1.71 -1.52 116.42 117.43 3at1 h ASP 90 Ca 0.30 -0.22 0.02 0.00 0.43 0.00 0.00 57.03 57.56 3at1 h ASP 90 Cb 0.14 -0.09 -0.03 0.00 -0.56 0.00 0.00 39.33 38.80 3at1 h ASP 90 CO -0.16 1.00 0.09 0.74 -1.57 0.00 0.00 179.24 179.34 3at1 h THR 91 N 0.13 0.94 -0.14 0.35 2.02 -0.51 -2.82 112.91 112.89 3at1 h THR 91 Ca -0.04 -0.07 -0.15 0.00 0.77 0.00 0.00 66.41 66.92 3at1 h THR 91 Cb 1.45 0.72 -0.01 0.00 -1.74 0.00 0.00 68.15 68.58 3at1 h THR 91 CO 0.13 0.04 -0.54 0.40 0.37 0.00 0.00 175.52 175.91 3at1 h ILE 92 N 0.20 1.34 -0.00 3.11 1.08 0.01 -1.84 117.51 121.41 3at1 h ILE 92 Ca 0.11 -1.81 0.00 0.00 -0.39 0.00 0.00 64.86 62.76 3at1 h ILE 92 Cb 0.07 1.82 -0.00 0.00 -3.07 0.00 0.00 36.82 35.65 3at1 h ILE 92 CO -0.11 0.55 0.00 0.28 -0.69 0.00 0.00 178.15 178.19 3at1 h SER 93 N 0.33 0.00 0.00 1.72 0.02 -1.25 -1.63 113.55 112.74 3at1 h SER 93 Ca 0.01 0.00 -0.24 0.00 -0.84 0.00 0.00 61.79 60.71 3at1 h SER 93 Cb 1.06 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.56 3at1 h SER 93 CO 0.10 0.00 -1.37 0.52 -1.14 0.00 0.00 176.83 174.94 3at1 n VAL 94 N -3.66 1.53 0.16 2.27 0.31 -0.72 -3.90 118.33 114.32 3at1 n VAL 94 Ca -0.03 -0.05 0.10 0.00 -0.01 0.00 0.00 64.34 64.35 3at1 n VAL 94 Cb 0.08 -2.05 0.62 0.00 -0.91 0.00 0.00 33.84 31.59 3at1 n VAL 94 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 3at1 h ILE 95 N -1.00 0.95 0.00 2.52 2.04 -1.40 -1.02 117.51 119.60 3at1 h ILE 95 Ca -0.37 -0.03 -0.03 0.00 1.00 0.00 0.00 64.86 65.43 3at1 h ILE 95 Cb 1.29 0.87 -0.00 0.00 -0.74 0.00 0.00 36.82 38.23 3at1 h ILE 95 CO -0.22 0.01 -0.14 0.77 0.00 0.00 0.00 178.15 178.57 3at1 h SER 96 N 0.08 0.00 -0.80 1.72 4.64 -1.44 0.43 113.55 118.17 3at1 h SER 96 Ca 0.08 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.36 3at1 h SER 96 Cb 0.22 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.28 3at1 h SER 96 CO -0.01 0.14 0.33 0.74 -0.87 0.00 0.00 176.83 177.16 3at1 h THR 97 N 0.00 1.26 0.07 2.95 2.02 -1.30 -3.34 112.91 114.58 3at1 h THR 97 Ca -0.00 -0.81 -0.13 0.00 0.77 0.00 0.00 66.41 66.24 3at1 h THR 97 Cb 0.64 0.29 0.01 0.00 -1.74 0.00 0.00 68.15 67.34 3at1 h THR 97 CO 0.02 0.33 -0.62 1.88 0.37 0.00 0.00 175.52 177.50 3at1 h TYR 98 N 1.17 0.27 -1.96 3.16 0.99 -0.16 -3.49 116.97 116.95 3at1 h TYR 98 Ca 0.27 -0.20 -0.57 0.00 2.00 0.00 0.00 58.73 60.23 3at1 h TYR 98 Cb 0.20 -0.01 -0.10 0.00 1.00 0.00 0.00 36.73 37.82 3at1 h TYR 98 CO 0.02 1.24 -0.60 0.14 -0.00 0.00 0.00 178.16 178.96 3at1 s VAL 99 N -2.35 2.86 -0.01 -2.88 -7.23 -0.63 -4.98 120.40 105.19 3at1 s VAL 99 Ca -0.18 -1.90 0.11 0.00 -1.81 0.00 0.00 61.98 58.21 3at1 s VAL 99 Cb 0.00 -2.84 -0.12 0.00 0.56 0.00 0.00 36.38 33.98 3at1 s VAL 99 CO 0.75 -0.23 1.20 0.44 -0.31 0.00 0.00 175.10 176.95 3at1 h ASP 100 N 1.76 0.00 -3.67 4.85 3.32 -1.29 -3.45 116.42 117.94 3at1 h ASP 100 Ca -0.43 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 56.49 3at1 h ASP 100 Cb 1.25 0.00 -0.25 0.00 0.22 0.00 0.00 39.33 40.55 3at1 h ASP 100 CO 0.65 0.81 -0.30 0.00 -1.72 0.00 0.00 179.24 178.68 3at1 s ALA 101 N -2.79 -0.93 -0.32 3.45 0.00 -1.22 -4.33 121.76 115.62 3at1 s ALA 101 Ca 0.01 1.18 -0.11 0.00 0.00 0.00 0.00 51.96 53.04 3at1 s ALA 101 Cb 0.09 -0.70 -0.01 0.00 0.00 0.00 0.00 23.12 22.50 3at1 s ALA 101 CO 0.80 -0.20 0.18 0.42 0.00 0.00 0.00 175.76 176.95 3at1 s ILE 102 N 0.58 4.83 -0.21 0.00 1.01 -0.25 -1.71 121.20 125.44 3at1 s ILE 102 Ca -0.03 -0.32 -0.15 0.00 0.00 0.00 0.00 60.65 60.15 3at1 s ILE 102 Cb -0.05 -3.46 -0.04 0.00 0.01 0.00 0.00 42.46 38.93 3at1 s ILE 102 CO -0.03 0.06 0.35 -0.69 0.00 0.00 0.00 174.94 174.62 3at1 s VAL 103 N 1.65 5.23 -0.01 2.92 1.01 -0.43 -0.79 120.40 129.99 3at1 s VAL 103 Ca 0.05 0.60 0.00 0.00 0.00 0.00 0.00 61.98 62.63 3at1 s VAL 103 Cb -0.17 -3.68 0.01 0.00 0.00 0.00 0.00 36.38 32.54 3at1 s VAL 103 CO 0.08 0.27 -0.00 0.00 0.00 0.00 0.00 175.10 175.44 3at1 s MET 104 N 1.30 0.12 -0.13 2.72 0.00 -0.94 -0.13 119.30 122.24 3at1 s MET 104 Ca 0.17 0.03 -0.01 0.00 0.00 0.00 0.00 55.69 55.88 3at1 s MET 104 Cb -0.15 -0.22 -0.02 0.00 0.00 0.00 0.00 34.83 34.45 3at1 s MET 104 CO 0.07 -0.05 -0.11 0.50 0.00 0.00 0.00 175.02 175.43 3at1 s ARG 105 N 0.43 3.41 0.01 3.16 3.52 -0.45 -1.18 118.95 127.86 3at1 s ARG 105 Ca -0.04 -0.65 0.05 0.00 -0.13 0.00 0.00 55.73 54.96 3at1 s ARG 105 Cb -0.06 -2.68 -0.02 0.00 -1.56 0.00 0.00 34.95 30.63 3at1 s ARG 105 CO -0.01 0.24 -0.16 -1.58 -0.81 0.00 0.00 175.30 172.98 3at1 s HIS 106 N 0.30 1.39 0.43 5.12 2.46 -0.36 -1.64 115.29 122.99 3at1 s HIS 106 Ca -0.09 -0.30 0.23 0.00 0.47 0.00 0.00 55.06 55.37 3at1 s HIS 106 Cb -0.15 -0.86 1.22 0.00 -0.13 0.00 0.00 32.58 32.66 3at1 s HIS 106 CO 0.05 0.01 1.78 -1.00 -2.47 0.00 0.00 174.74 173.11 3at1 h PRO 107 N 5.37 0.28 -6.13 2.88 0.13 -1.89 -1.34 132.00 131.31 3at1 h PRO 107 Ca -0.37 -0.02 -0.65 0.00 -0.87 0.00 0.00 66.00 64.10 3at1 h PRO 107 Cb 1.16 -0.06 -0.10 0.00 0.13 0.00 0.00 31.00 32.13 3at1 h PRO 107 CO 0.46 0.19 -0.60 -0.65 -0.23 0.00 0.00 178.00 177.17 3at1 s GLN 108 N -5.35 2.92 0.29 0.86 -0.21 -1.26 -3.30 119.66 113.61 3at1 s GLN 108 Ca -0.08 -0.62 -0.29 0.00 0.02 0.00 0.00 55.36 54.39 3at1 s GLN 108 Cb 0.25 -2.76 -0.10 0.00 1.00 0.00 0.00 33.01 31.40 3at1 s GLN 108 CO 0.80 0.60 1.30 -1.21 -2.12 0.00 0.00 175.29 174.65 3at1 s GLU 109 N -2.10 4.38 0.00 2.91 8.01 -1.26 -3.16 118.70 127.49 3at1 s GLU 109 Ca 0.26 2.15 0.00 0.00 0.01 0.00 0.00 54.97 57.39 3at1 s GLU 109 Cb -0.12 -3.11 0.00 0.00 -4.31 0.00 0.00 34.13 26.59 3at1 s GLU 109 CO 0.18 -0.18 0.00 0.41 0.01 0.00 0.00 175.26 175.68 3at1 n GLY 110 N 1.29 0.98 0.37 -1.39 0.00 -1.26 -4.96 105.19 100.21 3at1 n GLY 110 Ca 0.02 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.05 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 1.43 0.00 4.61 0.00 -1.89 -0.95 119.26 122.45 3at1 h ALA 111 Ca 0.00 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 3at1 h ALA 111 Cb 0.00 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 3at1 h ALA 111 CO 0.00 0.48 -0.35 0.00 0.00 0.00 0.00 179.25 179.38 3at1 h ALA 112 N 1.47 0.95 0.09 0.00 0.00 -1.93 0.37 119.26 120.22 3at1 h ALA 112 Ca 0.36 -0.32 -0.29 0.00 0.00 0.00 0.00 54.91 54.66 3at1 h ALA 112 Cb 0.03 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3at1 h ALA 112 CO -0.11 0.43 -1.50 -0.09 0.00 0.00 0.00 179.25 177.98 3at1 h ARG 113 N 0.00 0.19 -0.49 0.00 9.65 -1.88 -1.91 114.38 119.95 3at1 h ARG 113 Ca -0.00 -0.33 -0.02 0.00 -1.10 0.00 0.00 59.98 58.53 3at1 h ARG 113 Cb 0.93 0.12 -0.02 0.00 -1.39 0.00 0.00 29.97 29.61 3at1 h ARG 113 CO 0.05 1.03 0.24 1.25 2.80 0.00 0.00 179.97 185.34 3at1 h LEU 114 N 0.05 0.63 -0.91 3.80 5.85 -0.99 -2.90 115.31 120.85 3at1 h LEU 114 Ca -0.23 -0.12 0.17 0.00 0.84 0.00 0.00 57.88 58.54 3at1 h LEU 114 Cb 1.99 -0.16 -0.10 0.00 0.37 0.00 0.00 40.66 42.75 3at1 h LEU 114 CO 0.15 0.58 0.49 0.00 -0.34 0.00 0.00 178.44 179.32 3at1 h ALA 115 N 1.08 1.43 -0.74 1.25 0.00 -0.09 -0.49 119.26 121.70 3at1 h ALA 115 Ca 0.17 0.09 0.10 0.00 0.00 0.00 0.00 54.91 55.27 3at1 h ALA 115 Cb 0.11 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.83 3at1 h ALA 115 CO -0.02 -0.10 0.49 1.15 0.00 0.00 0.00 179.25 180.76 3at1 h THR 116 N 0.65 0.92 0.00 0.00 2.02 -1.15 -1.14 112.91 114.21 3at1 h THR 116 Ca 0.51 -0.21 -0.01 0.00 0.77 0.00 0.00 66.41 67.47 3at1 h THR 116 Cb 0.78 0.25 -0.00 0.00 -1.74 0.00 0.00 68.15 67.44 3at1 h THR 116 CO -0.39 0.11 -0.05 -0.33 0.37 0.00 0.00 175.52 175.23 3at1 h GLU 117 N 0.62 0.00 0.00 6.66 5.08 -0.98 -3.32 114.58 122.64 3at1 h GLU 117 Ca 0.34 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.70 3at1 h GLU 117 Cb 0.51 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.76 3at1 h GLU 117 CO -0.12 0.05 0.00 1.19 -1.00 0.00 0.00 179.01 179.13 3at1 n PHE 118 N -3.30 0.00 0.48 4.33 3.01 -0.49 -4.68 117.46 116.81 3at1 n PHE 118 Ca -0.01 -0.30 0.12 0.00 1.01 0.00 0.00 57.45 58.26 3at1 n PHE 118 Cb 0.22 -0.03 0.22 0.00 -0.01 0.00 0.00 39.48 39.88 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 -0.30 3.25 0.00 4.37 3.41 -0.86 -3.77 113.62 119.72 3at1 n SER 119 Ca 0.00 -1.97 0.00 0.00 -0.26 0.00 0.00 58.87 56.64 3at1 n SER 119 Cb 0.19 -0.21 0.00 0.00 -0.26 0.00 0.00 64.21 63.93 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 3.85 0.47 5.00 0.00 -1.26 -0.96 105.19 113.75 3at1 n GLY 120 Ca 0.19 -0.02 0.13 0.00 0.00 0.00 0.00 46.02 46.31 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 6.39 1.45 -4.69 1.61 4.13 -1.26 -4.83 115.26 118.06 3at1 n ASN 121 Ca 0.00 -1.55 -0.40 0.00 1.68 0.00 0.00 54.58 54.31 3at1 n ASN 121 Cb 0.00 -0.04 -0.05 0.00 -1.54 0.00 0.00 39.78 38.15 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 -1.92 5.02 0.41 2.41 1.01 -0.13 -5.03 120.40 122.17 3at1 s VAL 122 Ca 0.36 1.36 -0.26 0.00 0.00 0.00 0.00 61.98 63.45 3at1 s VAL 122 Cb 0.19 -4.01 -0.08 0.00 0.00 0.00 0.00 36.38 32.48 3at1 s VAL 122 CO 0.31 0.18 1.30 -2.84 0.00 0.00 0.00 175.10 174.04 3at1 s PRO 123 N 1.35 3.92 -0.13 2.72 0.02 -1.26 -4.74 135.00 136.88 3at1 s PRO 123 Ca 0.34 2.14 0.02 0.00 0.02 0.00 0.00 61.00 63.52 3at1 s PRO 123 Cb -0.17 -2.72 0.01 0.00 0.02 0.00 0.00 34.50 31.65 3at1 s PRO 123 CO 0.14 -0.52 -0.18 0.08 -0.33 0.00 0.00 177.00 176.19 3at1 s VAL 124 N -1.28 1.76 -0.26 3.83 1.01 -1.26 -1.09 120.40 123.11 3at1 s VAL 124 Ca 0.58 -0.79 -0.09 0.00 0.00 0.00 0.00 61.98 61.68 3at1 s VAL 124 Cb -0.38 -1.59 -0.04 0.00 0.00 0.00 0.00 36.38 34.38 3at1 s VAL 124 CO 0.48 0.49 0.12 -0.76 0.00 0.00 0.00 175.10 175.43 3at1 s LEU 125 N 1.00 3.71 -0.32 3.92 2.01 0.03 -0.22 118.68 128.82 3at1 s LEU 125 Ca -0.05 -0.10 -0.28 0.00 0.01 0.00 0.00 54.13 53.71 3at1 s LEU 125 Cb -0.15 -2.01 0.02 0.00 0.01 0.00 0.00 46.19 44.06 3at1 s LEU 125 CO -0.04 -0.02 1.04 0.21 1.01 0.00 0.00 176.35 178.55 3at1 s ASN 126 N 1.56 6.89 -0.32 2.29 2.47 0.12 -2.22 114.94 125.72 3at1 s ASN 126 Ca 0.06 0.98 0.10 0.00 0.42 0.00 0.00 52.86 54.42 3at1 s ASN 126 Cb -0.15 -2.53 0.73 0.00 -1.45 0.00 0.00 41.25 37.86 3at1 s ASN 126 CO 0.06 -0.86 1.79 0.00 -3.72 0.00 0.00 177.10 174.38 3at1 n ALA 127 N 6.81 4.57 0.00 1.71 0.00 -0.33 -4.39 120.51 128.87 3at1 n ALA 127 Ca 0.11 -2.40 0.00 0.00 0.00 0.00 0.00 53.44 51.15 3at1 n ALA 127 Cb 0.47 -1.22 0.00 0.00 0.00 0.00 0.00 19.45 18.70 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 -0.23 3.80 2.57 0.00 0.00 -1.26 -4.77 105.19 105.30 3at1 n GLY 128 Ca 0.41 -1.39 -0.29 0.00 0.00 0.00 0.00 46.02 44.74 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 3.43 0.48 1.61 -4.77 -1.06 -1.22 116.67 115.13 3at1 s ASP 129 Ca 0.00 -1.92 0.00 0.00 -3.30 0.00 0.00 52.55 47.33 3at1 s ASP 129 Cb 0.00 -0.58 0.00 0.00 -1.09 0.00 0.00 42.92 41.25 3at1 s ASP 129 CO 0.00 -0.36 0.00 0.61 0.70 0.00 0.00 175.17 176.12 3at1 n GLY 130 N 4.42 0.89 0.00 2.12 0.00 -0.50 -2.41 105.19 109.70 3at1 n GLY 130 Ca 0.04 -0.66 0.03 0.00 0.00 0.00 0.00 46.02 45.43 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 -3.52 0.00 0.00 1.61 3.41 -1.26 -4.50 113.62 109.35 3at1 n SER 131 Ca 0.00 -0.34 0.00 0.00 -0.26 0.00 0.00 58.87 58.27 3at1 n SER 131 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 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 -0.85 0.00 -4.94 4.04 2.85 -1.01 -4.77 115.26 110.57 3at1 n ASN 132 Ca 0.04 0.00 -0.21 0.00 -0.11 0.00 0.00 54.58 54.31 3at1 n ASN 132 Cb 0.02 0.00 -0.02 0.00 1.24 0.00 0.00 39.78 41.02 3at1 n ASN 132 CO 0.00 0.00 0.00 -1.10 -2.11 0.00 0.00 177.26 174.05 3at1 s GLN 133 N 0.50 3.23 -0.46 1.20 -1.52 -1.26 -4.90 119.66 116.45 3at1 s GLN 133 Ca 0.00 -0.90 0.07 0.00 -1.95 0.00 0.00 55.36 52.57 3at1 s GLN 133 Cb 0.00 -2.79 0.27 0.00 -0.22 0.00 0.00 33.01 30.27 3at1 s GLN 133 CO 0.00 0.32 0.92 1.58 -0.25 0.00 0.00 175.29 177.85 3at1 n HIS 134 N -1.42 -2.73 -0.34 0.91 -0.00 -1.26 -2.56 115.22 107.81 3at1 n HIS 134 Ca -0.06 -2.16 -0.01 0.00 0.46 0.00 0.00 57.72 55.95 3at1 n HIS 134 Cb 0.58 1.30 0.12 0.00 -0.12 0.00 0.00 29.99 31.86 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 3.64 1.13 -0.61 1.57 0.13 -1.81 -2.15 132.00 133.90 3at1 h PRO 135 Ca -0.10 -0.07 0.02 0.00 -0.87 0.00 0.00 66.00 64.99 3at1 h PRO 135 Cb 1.03 -0.26 -0.03 0.00 0.13 0.00 0.00 31.00 31.88 3at1 h PRO 135 CO 0.29 0.75 0.40 0.00 -0.23 0.00 0.00 178.00 179.21 3at1 h THR 136 N 1.17 1.11 0.14 1.56 1.03 -1.96 0.16 112.91 116.12 3at1 h THR 136 Ca 0.36 -0.26 -0.01 0.00 -0.01 0.00 0.00 66.41 66.50 3at1 h THR 136 Cb -0.01 0.29 0.00 0.00 -1.07 0.00 0.00 68.15 67.35 3at1 h THR 136 CO -0.11 0.14 -0.07 -0.61 -0.01 0.00 0.00 175.52 174.86 3at1 h GLN 137 N 0.76 -0.18 -0.85 0.00 5.75 -1.76 -2.98 115.11 115.84 3at1 h GLN 137 Ca 0.24 0.01 0.11 0.00 -0.15 0.00 0.00 58.65 58.86 3at1 h GLN 137 Cb 0.02 0.04 -0.06 0.00 1.07 0.00 0.00 27.48 28.55 3at1 h GLN 137 CO -0.06 0.09 0.55 1.15 -2.65 0.00 0.00 178.83 177.90 3at1 h THR 138 N -0.45 0.91 -0.77 2.39 2.02 -0.94 -1.10 112.91 114.97 3at1 h THR 138 Ca -0.02 -0.25 -0.03 0.00 0.77 0.00 0.00 66.41 66.88 3at1 h THR 138 Cb 0.35 0.10 -0.04 0.00 -1.74 0.00 0.00 68.15 66.83 3at1 h THR 138 CO 0.03 0.14 0.38 -0.07 0.37 0.00 0.00 175.52 176.37 3at1 h LEU 139 N 0.74 1.01 -0.61 2.58 3.38 -0.84 0.18 115.31 121.75 3at1 h LEU 139 Ca 0.40 -0.13 -0.12 0.00 0.09 0.00 0.00 57.88 58.12 3at1 h LEU 139 Cb 0.54 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 3at1 h LEU 139 CO -0.17 0.86 -0.59 0.17 0.09 0.00 0.00 178.44 178.79 3at1 h LEU 140 N 1.09 0.00 -0.00 1.67 8.10 -1.06 -1.41 115.31 123.69 3at1 h LEU 140 Ca 0.27 0.00 -0.27 0.00 0.11 0.00 0.00 57.88 57.99 3at1 h LEU 140 Cb 0.11 0.00 0.02 0.00 -0.44 0.00 0.00 40.66 40.35 3at1 h LEU 140 CO -0.03 0.59 -1.09 0.44 -4.11 0.00 0.00 178.44 174.24 3at1 h ASP 141 N 0.00 0.79 -0.35 0.17 3.32 -0.97 0.24 116.42 119.63 3at1 h ASP 141 Ca -0.01 -0.67 -0.05 0.00 0.02 0.00 0.00 57.03 56.33 3at1 h ASP 141 Cb 1.18 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 40.47 3at1 h ASP 141 CO 0.08 1.48 0.03 -0.07 -1.72 0.00 0.00 179.24 179.03 3at1 h LEU 142 N 0.31 0.57 -1.26 1.55 3.38 -0.54 -1.27 115.31 118.05 3at1 h LEU 142 Ca -0.14 -0.28 -0.03 0.00 0.09 0.00 0.00 57.88 57.53 3at1 h LEU 142 Cb 1.75 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 42.32 3at1 h LEU 142 CO 0.20 0.71 0.18 0.15 0.09 0.00 0.00 178.44 179.78 3at1 h PHE 143 N 0.41 0.69 -0.55 1.13 3.04 -1.06 0.29 116.94 120.89 3at1 h PHE 143 Ca 0.10 -0.03 -0.05 0.00 3.98 0.00 0.00 57.97 61.96 3at1 h PHE 143 Cb 0.40 -0.22 -0.02 0.00 2.56 0.00 0.00 35.95 38.67 3at1 h PHE 143 CO 0.03 0.55 0.13 1.15 -2.02 0.00 0.00 178.31 178.15 3at1 h THR 144 N 0.69 1.25 -0.28 4.41 2.02 -0.22 0.18 112.91 120.96 3at1 h THR 144 Ca 0.17 -0.88 -0.15 0.00 0.77 0.00 0.00 66.41 66.32 3at1 h THR 144 Cb 0.15 0.76 -0.00 0.00 -1.74 0.00 0.00 68.15 67.32 3at1 h THR 144 CO -0.01 0.32 -0.40 0.40 0.37 0.00 0.00 175.52 176.20 3at1 h ILE 145 N 0.79 1.30 -0.28 3.11 2.04 -0.96 -0.49 117.51 123.02 3at1 h ILE 145 Ca 0.17 -1.58 -0.05 0.00 1.00 0.00 0.00 64.86 64.40 3at1 h ILE 145 Cb 0.34 1.64 -0.01 0.00 -0.74 0.00 0.00 36.82 38.05 3at1 h ILE 145 CO 0.00 0.51 -0.03 -0.61 0.00 0.00 0.00 178.15 178.02 3at1 h GLN 146 N 0.51 0.51 -0.56 2.37 4.15 -0.20 0.49 115.11 122.38 3at1 h GLN 146 Ca 0.03 -0.18 -0.05 0.00 0.77 0.00 0.00 58.65 59.22 3at1 h GLN 146 Cb 0.99 -0.04 -0.03 0.00 0.21 0.00 0.00 27.48 28.62 3at1 h GLN 146 CO 0.09 0.70 0.14 0.37 -1.93 0.00 0.00 178.83 178.20 3at1 h GLN 147 N 0.29 0.85 0.00 1.69 4.15 -0.57 0.65 115.11 122.17 3at1 h GLN 147 Ca 0.07 -0.17 -0.18 0.00 0.77 0.00 0.00 58.65 59.14 3at1 h GLN 147 Cb 0.49 -0.13 -0.03 0.00 0.21 0.00 0.00 27.48 28.02 3at1 h GLN 147 CO 0.02 0.76 -1.15 1.79 -1.93 0.00 0.00 178.83 178.32 3at1 h THR 148 N 0.82 0.85 -0.01 2.39 1.35 -0.83 -3.35 112.91 114.13 3at1 h THR 148 Ca 0.18 -2.40 0.00 0.00 -0.55 0.00 0.00 66.41 63.64 3at1 h THR 148 Cb 0.30 2.33 0.00 0.00 -1.73 0.00 0.00 68.15 69.05 3at1 h THR 148 CO -0.00 0.49 -0.23 -0.62 -0.25 0.00 0.00 175.52 174.91 3at1 n GLU 149 N -3.08 1.64 0.00 4.72 -0.58 0.17 -4.94 120.64 118.57 3at1 n GLU 149 Ca -0.06 -0.89 0.00 0.00 -0.42 0.00 0.00 57.16 55.79 3at1 n GLU 149 Cb 0.86 -1.23 0.00 0.00 -0.57 0.00 0.00 31.44 30.50 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 1.01 1.52 3.29 0.62 0.00 0.22 -4.89 105.19 106.96 3at1 n GLY 150 Ca 0.07 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.99 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 0.00 1.01 0.00 1.61 1.70 -1.24 -4.95 118.95 117.08 3at1 s ARG 151 Ca 0.00 -0.91 0.01 0.00 -0.47 0.00 0.00 55.73 54.35 3at1 s ARG 151 Cb 0.00 0.40 0.00 0.00 -0.57 0.00 0.00 34.95 34.78 3at1 s ARG 151 CO 0.00 -0.37 0.39 -0.11 -1.08 0.00 0.00 175.30 174.14 3at1 n LEU 152 N -0.16 0.79 -4.88 -1.89 7.94 -1.26 -4.31 117.00 113.23 3at1 n LEU 152 Ca -0.14 -0.87 -0.32 0.00 -1.11 0.00 0.00 56.01 53.57 3at1 n LEU 152 Cb 0.63 0.00 -0.05 0.00 0.53 0.00 0.00 43.42 44.53 3at1 n LEU 152 CO 0.21 0.19 -0.18 -1.81 -1.11 0.00 0.00 177.39 174.69 3at1 s ASP 153 N -0.30 6.17 -1.04 1.96 1.01 -1.26 -4.56 116.67 118.64 3at1 s ASP 153 Ca 0.01 0.24 -0.08 0.00 0.71 0.00 0.00 52.55 53.42 3at1 s ASP 153 Cb 0.00 -1.87 -0.05 0.00 1.01 0.00 0.00 42.92 42.01 3at1 s ASP 153 CO 0.01 0.21 0.88 0.59 0.21 0.00 0.00 175.17 177.07 3at1 n ASN 154 N 0.62 -6.47 -4.55 0.27 4.13 0.29 -4.97 115.26 104.57 3at1 n ASN 154 Ca -0.08 -0.73 -0.25 0.00 1.68 0.00 0.00 54.58 55.20 3at1 n ASN 154 Cb 0.52 -4.84 -0.11 0.00 -1.54 0.00 0.00 39.78 33.81 3at1 n ASN 154 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 3at1 s LEU 155 N -5.50 2.63 -0.38 3.41 1.43 -1.19 -4.85 118.68 114.24 3at1 s LEU 155 Ca 0.43 -1.34 -0.02 0.00 -1.03 0.00 0.00 54.13 52.17 3at1 s LEU 155 Cb -0.08 -0.74 0.09 0.00 0.03 0.00 0.00 46.19 45.50 3at1 s LEU 155 CO 0.77 -0.46 0.14 -1.00 0.23 0.00 0.00 176.35 176.02 3at1 s HIS 156 N -2.89 3.53 -0.19 0.29 3.76 -1.26 0.41 115.29 118.93 3at1 s HIS 156 Ca 0.35 -2.33 -0.02 0.00 -0.15 0.00 0.00 55.06 52.91 3at1 s HIS 156 Cb 0.08 -2.92 -0.00 0.00 1.11 0.00 0.00 32.58 30.86 3at1 s HIS 156 CO 0.17 -0.93 -0.10 0.08 -0.85 0.00 0.00 174.74 173.11 3at1 s VAL 157 N 1.15 2.95 -0.09 -0.90 1.01 -0.20 -0.30 120.40 124.02 3at1 s VAL 157 Ca 0.05 -0.65 -0.05 0.00 0.00 0.00 0.00 61.98 61.33 3at1 s VAL 157 Cb -0.22 -2.30 -0.04 0.00 0.00 0.00 0.00 36.38 33.83 3at1 s VAL 157 CO -0.04 0.47 0.11 0.00 0.00 0.00 0.00 175.10 175.64 3at1 s ALA 158 N 1.20 3.72 -0.26 5.51 0.00 -0.41 -0.93 121.76 130.60 3at1 s ALA 158 Ca 0.02 -0.71 -0.03 0.00 0.00 0.00 0.00 51.96 51.24 3at1 s ALA 158 Cb -0.14 -1.82 0.02 0.00 0.00 0.00 0.00 23.12 21.18 3at1 s ALA 158 CO -0.04 0.63 -0.03 -1.64 0.00 0.00 0.00 175.76 174.68 3at1 s MET 159 N -1.13 2.91 -0.06 0.00 -1.94 0.90 -1.28 119.30 118.71 3at1 s MET 159 Ca 0.16 -0.94 0.05 0.00 -1.71 0.00 0.00 55.69 53.26 3at1 s MET 159 Cb -0.12 -3.08 -0.01 0.00 2.01 0.00 0.00 34.83 33.64 3at1 s MET 159 CO 0.06 -0.40 -0.22 0.08 -0.01 0.00 0.00 175.02 174.52 3at1 s VAL 160 N 1.37 1.85 0.00 -6.03 1.01 -0.97 -1.05 120.40 116.59 3at1 s VAL 160 Ca 0.01 -0.94 0.00 0.00 0.00 0.00 0.00 61.98 61.04 3at1 s VAL 160 Cb -0.17 -1.58 0.00 0.00 0.00 0.00 0.00 36.38 34.63 3at1 s VAL 160 CO -0.03 0.52 0.00 0.61 0.00 0.00 0.00 175.10 176.20 3at1 n GLY 161 N 3.12 0.18 3.50 4.51 0.00 -0.53 -1.66 105.19 114.31 3at1 n GLY 161 Ca -0.18 -1.62 -0.43 0.00 0.00 0.00 0.00 46.02 43.79 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 6.29 0.00 1.61 3.68 -1.26 -4.33 116.67 118.66 3at1 s ASP 162 Ca 0.00 -0.52 0.26 0.00 2.13 0.00 0.00 52.55 54.42 3at1 s ASP 162 Cb 0.00 -2.43 0.62 0.00 -1.45 0.00 0.00 42.92 39.66 3at1 s ASP 162 CO 0.00 -1.28 1.48 0.18 0.13 0.00 0.00 175.17 175.68 3at1 n LEU 163 N 7.52 1.33 -0.01 -1.34 4.77 0.12 -2.75 117.00 126.64 3at1 n LEU 163 Ca 0.00 -0.41 -0.17 0.00 -0.03 0.00 0.00 56.01 55.41 3at1 n LEU 163 Cb 0.47 -0.08 -0.13 0.00 -2.33 0.00 0.00 43.42 41.35 3at1 n LEU 163 CO 0.64 0.24 0.25 0.50 -1.33 0.00 0.00 177.39 177.69 3at1 h LYS 164 N 1.67 0.19 -0.02 3.23 3.64 -0.86 -3.33 116.57 121.08 3at1 h LYS 164 Ca 0.00 -0.27 0.00 0.00 -1.27 0.00 0.00 60.65 59.11 3at1 h LYS 164 Cb 0.57 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.48 3at1 h LYS 164 CO 0.00 1.07 -0.15 0.66 -2.27 0.00 0.00 179.45 178.77 3at1 n TYR 165 N -4.37 0.00 -1.87 1.91 4.01 -1.26 -4.83 117.16 110.75 3at1 n TYR 165 Ca -0.11 0.00 -0.22 0.00 -0.16 0.00 0.00 57.90 57.41 3at1 n TYR 165 Cb 0.63 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.60 3at1 n TYR 165 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 3at1 s GLY 166 N -1.80 -0.19 0.56 2.72 0.00 -1.11 -4.74 107.32 102.76 3at1 s GLY 166 Ca 0.20 -1.24 0.28 0.00 0.00 0.00 0.00 44.72 43.95 3at1 s GLY 166 CO 0.33 3.76 2.19 -0.09 0.00 0.00 0.00 173.10 179.29 3at1 h ARG 167 N 11.82 0.00 0.11 2.90 1.12 -1.88 -1.51 114.38 126.94 3at1 h ARG 167 Ca 0.06 0.00 -0.01 0.00 -1.11 0.00 0.00 59.98 58.93 3at1 h ARG 167 Cb 1.00 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.97 3at1 h ARG 167 CO 1.13 0.04 -0.05 1.79 -3.11 0.00 0.00 179.97 179.78 3at1 h THR 168 N 0.00 0.99 -0.32 0.20 1.35 -1.93 -3.08 112.91 110.13 3at1 h THR 168 Ca -0.00 -1.34 0.06 0.00 -0.55 0.00 0.00 66.41 64.58 3at1 h THR 168 Cb 0.12 1.71 -0.02 0.00 -1.73 0.00 0.00 68.15 68.23 3at1 h THR 168 CO 0.01 0.28 0.22 -0.37 -0.25 0.00 0.00 175.52 175.40 3at1 h VAL 169 N -0.87 0.93 -0.20 6.82 -1.51 -1.83 -1.96 116.25 117.63 3at1 h VAL 169 Ca -0.01 -0.06 -0.09 0.00 -1.23 0.00 0.00 66.70 65.31 3at1 h VAL 169 Cb 0.56 0.75 -0.01 0.00 -2.13 0.00 0.00 31.29 30.46 3at1 h VAL 169 CO 0.02 0.03 -0.28 0.45 -1.23 0.00 0.00 177.57 176.56 3at1 h HIS 170 N 0.16 0.44 0.00 5.19 3.86 -1.35 0.60 115.15 124.04 3at1 h HIS 170 Ca 0.14 -0.09 -0.23 0.00 -1.16 0.00 0.00 60.37 59.03 3at1 h HIS 170 Cb 0.36 -0.11 -0.04 0.00 1.06 0.00 0.00 27.41 28.68 3at1 h HIS 170 CO -0.00 0.64 -1.42 0.77 0.86 0.00 0.00 177.93 178.78 3at1 h SER 171 N 0.34 0.00 0.35 2.45 0.02 -1.27 -2.43 113.55 113.01 3at1 h SER 171 Ca 0.05 0.00 -0.19 0.00 -0.84 0.00 0.00 61.79 60.81 3at1 h SER 171 Cb 0.68 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.21 3at1 h SER 171 CO 0.05 0.86 -0.77 0.25 -1.14 0.00 0.00 176.83 176.08 3at1 h LEU 172 N 0.00 0.41 -0.53 5.07 5.85 -1.25 0.35 115.31 125.21 3at1 h LEU 172 Ca -0.18 -0.28 -0.14 0.00 0.84 0.00 0.00 57.88 58.11 3at1 h LEU 172 Cb 1.81 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 42.71 3at1 h LEU 172 CO 0.08 1.03 -0.35 0.74 -0.34 0.00 0.00 178.44 179.59 3at1 h THR 173 N 0.22 1.28 -0.10 1.05 2.02 -0.91 0.46 112.91 116.93 3at1 h THR 173 Ca -0.04 -1.52 -0.17 0.00 0.77 0.00 0.00 66.41 65.46 3at1 h THR 173 Cb 1.35 1.39 -0.01 0.00 -1.74 0.00 0.00 68.15 69.14 3at1 h THR 173 CO 0.13 0.50 -0.65 0.06 0.37 0.00 0.00 175.52 175.93 3at1 h GLN 174 N 0.67 0.39 -0.23 6.66 3.07 -1.15 -1.10 115.11 123.42 3at1 h GLN 174 Ca 0.06 -0.29 -0.02 0.00 0.09 0.00 0.00 58.65 58.50 3at1 h GLN 174 Cb 0.91 0.05 -0.01 0.00 0.08 0.00 0.00 27.48 28.51 3at1 h GLN 174 CO 0.08 0.91 0.07 0.00 0.09 0.00 0.00 178.83 179.98 3at1 h ALA 175 N 1.02 0.30 0.00 0.06 0.00 -0.14 -2.98 119.26 117.53 3at1 h ALA 175 Ca -0.01 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.68 3at1 h ALA 175 Cb 1.19 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 3at1 h ALA 175 CO 0.11 -0.08 -0.37 -0.07 0.00 0.00 0.00 179.25 178.85 3at1 h LEU 176 N 0.20 0.00 0.00 0.00 3.38 -0.93 -1.76 115.31 116.21 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 0.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.98 3at1 h LEU 176 CO -0.00 0.37 0.00 0.00 0.09 0.00 0.00 178.44 178.89 3at1 n ALA 177 N -2.42 1.79 0.06 1.53 0.00 -0.42 -2.24 120.51 118.82 3at1 n ALA 177 Ca -0.02 -0.06 -0.11 0.00 0.00 0.00 0.00 53.44 53.25 3at1 n ALA 177 Cb 0.42 -1.26 -0.13 0.00 0.00 0.00 0.00 19.45 18.48 3at1 n ALA 177 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3at1 h LYS 178 N 0.00 0.10 -7.52 0.00 1.57 -1.31 -3.46 116.57 105.95 3at1 h LYS 178 Ca 0.00 -0.17 -0.46 0.00 -1.87 0.00 0.00 60.65 58.15 3at1 h LYS 178 Cb 0.23 0.06 0.13 0.00 0.08 0.00 0.00 32.23 32.73 3at1 h LYS 178 CO 0.00 0.98 0.29 -0.06 -0.57 0.00 0.00 179.45 180.09 3at1 s PHE 179 N -2.66 1.49 0.28 -1.35 0.08 -0.95 -4.99 117.98 109.88 3at1 s PHE 179 Ca -0.03 0.02 0.11 0.00 0.12 0.00 0.00 56.93 57.15 3at1 s PHE 179 Cb 0.08 -3.64 -0.05 0.00 -0.57 0.00 0.00 43.02 38.85 3at1 s PHE 179 CO 0.84 -2.29 -0.11 -0.51 -0.10 0.00 0.00 175.22 173.05 3at1 s ASP 180 N -4.85 3.97 -1.12 1.36 1.01 -1.26 -4.71 116.67 111.07 3at1 s ASP 180 Ca 0.71 -0.90 0.00 0.00 0.71 0.00 0.00 52.55 53.07 3at1 s ASP 180 Cb -0.04 -0.51 0.00 0.00 1.01 0.00 0.00 42.92 43.38 3at1 s ASP 180 CO 0.49 -0.00 0.00 0.61 0.21 0.00 0.00 175.17 176.48 3at1 n GLY 181 N -0.75 0.71 3.85 0.21 0.00 -1.26 0.10 105.19 108.05 3at1 n GLY 181 Ca -0.05 -0.46 -0.35 0.00 0.00 0.00 0.00 46.02 45.15 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 -2.72 6.76 -0.08 1.61 0.01 -1.26 -3.20 114.94 116.06 3at1 s ASN 182 Ca 0.00 0.95 0.03 0.00 -0.71 0.00 0.00 52.86 53.14 3at1 s ASN 182 Cb 0.00 -2.24 -0.01 0.00 0.41 0.00 0.00 41.25 39.41 3at1 s ASN 182 CO 0.00 0.17 -0.19 -0.13 -1.51 0.00 0.00 177.10 175.44 3at1 s ARG 183 N -1.79 2.84 -0.11 -0.60 0.52 0.17 -4.09 118.95 115.88 3at1 s ARG 183 Ca 0.34 -0.79 -0.02 0.00 -0.52 0.00 0.00 55.73 54.74 3at1 s ARG 183 Cb -0.15 -2.36 -0.03 0.00 0.52 0.00 0.00 34.95 32.93 3at1 s ARG 183 CO 0.18 0.37 -0.04 -0.06 0.02 0.00 0.00 175.30 175.76 3at1 s PHE 184 N -0.09 3.02 -0.23 -0.53 0.40 0.14 -1.03 117.98 119.65 3at1 s PHE 184 Ca -0.04 -0.11 -0.02 0.00 -0.60 0.00 0.00 56.93 56.16 3at1 s PHE 184 Cb -0.14 -1.84 0.02 0.00 0.51 0.00 0.00 43.02 41.56 3at1 s PHE 184 CO 0.04 0.18 -0.07 0.71 0.70 0.00 0.00 175.22 176.78 3at1 s TYR 185 N -0.25 3.00 -0.17 0.36 1.51 -0.11 -1.59 117.35 120.10 3at1 s TYR 185 Ca 0.04 -1.38 -0.07 0.00 -1.01 0.00 0.00 57.07 54.66 3at1 s TYR 185 Cb -0.13 -2.06 -0.04 0.00 -0.11 0.00 0.00 41.96 39.62 3at1 s TYR 185 CO 0.02 -0.68 0.07 -0.06 -1.11 0.00 0.00 175.55 173.79 3at1 s PHE 186 N 1.37 3.29 -0.30 2.71 0.08 -0.42 -0.07 117.98 124.64 3at1 s PHE 186 Ca 0.02 0.15 -0.02 0.00 0.12 0.00 0.00 56.93 57.20 3at1 s PHE 186 Cb -0.15 -2.04 0.11 0.00 -0.57 0.00 0.00 43.02 40.37 3at1 s PHE 186 CO -0.05 0.26 0.18 0.42 -0.10 0.00 0.00 175.22 175.93 3at1 s ILE 187 N 0.09 -0.11 0.03 0.64 1.09 -0.22 -1.00 121.20 121.73 3at1 s ILE 187 Ca 0.06 -0.86 -0.03 0.00 -1.10 0.00 0.00 60.65 58.71 3at1 s ILE 187 Cb -0.12 -0.99 -0.02 0.00 -1.06 0.00 0.00 42.46 40.27 3at1 s ILE 187 CO 0.01 -0.72 0.03 0.00 -0.10 0.00 0.00 174.94 174.16 3at1 s ALA 188 N 1.97 0.13 0.53 9.38 0.00 -1.26 -1.45 121.76 131.04 3at1 s ALA 188 Ca 0.11 -0.72 -0.22 0.00 0.00 0.00 0.00 51.96 51.14 3at1 s ALA 188 Cb -0.17 0.22 -0.06 0.00 0.00 0.00 0.00 23.12 23.11 3at1 s ALA 188 CO -0.29 -0.28 1.15 -0.35 0.00 0.00 0.00 175.76 175.99 3at1 n PRO 189 N 0.87 1.39 -0.02 0.00 -0.04 -1.26 -4.91 135.00 131.02 3at1 n PRO 189 Ca -0.19 0.51 0.21 0.00 -0.04 0.00 0.00 63.50 63.99 3at1 n PRO 189 Cb 0.58 -2.31 0.70 0.00 -0.04 0.00 0.00 33.50 32.42 3at1 n PRO 189 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 3at1 h ASP 190 N 1.21 0.00 0.14 3.54 3.32 -2.00 0.37 116.42 123.01 3at1 h ASP 190 Ca -0.48 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 56.52 3at1 h ASP 190 Cb 1.33 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.87 3at1 h ASP 190 CO 0.55 0.00 -0.19 0.00 -1.72 0.00 0.00 179.24 177.88 3at1 h ALA 191 N 1.70 1.57 -0.73 3.45 0.00 -2.01 -3.26 119.26 119.97 3at1 h ALA 191 Ca 0.28 -0.21 -0.53 0.00 0.00 0.00 0.00 54.91 54.45 3at1 h ALA 191 Cb 1.12 -0.06 -0.39 0.00 0.00 0.00 0.00 17.79 18.46 3at1 h ALA 191 CO -0.00 0.32 -0.64 1.28 0.00 0.00 0.00 179.25 180.20 3at1 n LEU 192 N -4.27 5.06 -4.80 0.00 4.77 0.13 -4.96 117.00 112.94 3at1 n LEU 192 Ca -0.02 -4.65 -0.33 0.00 -0.03 0.00 0.00 56.01 50.98 3at1 n LEU 192 Cb 0.28 -0.41 0.01 0.00 -2.33 0.00 0.00 43.42 40.97 3at1 n LEU 192 CO 0.37 2.01 0.72 0.00 -1.33 0.00 0.00 177.39 179.16 3at1 s ALA 193 N -3.60 2.75 -0.06 -1.18 0.00 -1.10 0.13 121.76 118.70 3at1 s ALA 193 Ca 0.52 0.40 -0.29 0.00 0.00 0.00 0.00 51.96 52.58 3at1 s ALA 193 Cb 0.42 -3.23 -0.07 0.00 0.00 0.00 0.00 23.12 20.23 3at1 s ALA 193 CO 0.03 -0.77 2.02 1.41 0.00 0.00 0.00 175.76 178.44 3at1 s MET 194 N -4.03 3.80 0.58 0.00 1.75 -1.26 -2.88 119.30 117.25 3at1 s MET 194 Ca 0.64 2.36 -0.18 0.00 -1.25 0.00 0.00 55.69 57.26 3at1 s MET 194 Cb -0.16 -4.22 -0.10 0.00 2.84 0.00 0.00 34.83 33.20 3at1 s MET 194 CO 0.36 -1.34 0.37 -0.35 -0.65 0.00 0.00 175.02 173.41 3at1 n PRO 195 N 7.93 0.38 -0.16 4.11 -0.04 -1.26 -4.82 135.00 141.13 3at1 n PRO 195 Ca 0.23 0.15 -0.03 0.00 -0.04 0.00 0.00 63.50 63.81 3at1 n PRO 195 Cb 0.43 -1.56 0.18 0.00 -0.04 0.00 0.00 33.50 32.51 3at1 n PRO 195 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 3at1 h GLU 196 N 0.11 0.89 -0.81 0.54 4.39 -1.99 -2.27 114.58 115.44 3at1 h GLU 196 Ca -0.45 -0.16 0.08 0.00 0.34 0.00 0.00 59.36 59.17 3at1 h GLU 196 Cb 1.40 -0.14 -0.05 0.00 -0.10 0.00 0.00 28.75 29.86 3at1 h GLU 196 CO 0.45 0.76 0.53 0.10 -1.16 0.00 0.00 179.01 179.70 3at1 h TYR 197 N 0.86 0.86 0.34 4.33 -0.00 -1.99 0.30 116.97 121.66 3at1 h TYR 197 Ca 0.20 0.02 -0.02 0.00 -0.00 0.00 0.00 58.73 58.93 3at1 h TYR 197 Cb 0.24 -0.28 0.00 0.00 -0.00 0.00 0.00 36.73 36.70 3at1 h TYR 197 CO 0.02 0.42 -0.16 0.82 -0.00 0.00 0.00 178.16 179.26 3at1 h ILE 198 N 0.82 0.69 -0.68 -0.90 1.08 -1.85 -2.20 117.51 114.47 3at1 h ILE 198 Ca 0.36 -0.25 0.01 0.00 -0.39 0.00 0.00 64.86 64.60 3at1 h ILE 198 Cb 0.34 0.82 -0.03 0.00 -3.07 0.00 0.00 36.82 34.88 3at1 h ILE 198 CO -0.14 0.05 0.45 -0.07 -0.69 0.00 0.00 178.15 177.75 3at1 h LEU 199 N -0.59 0.77 0.31 1.44 3.38 -0.65 -1.18 115.31 118.79 3at1 h LEU 199 Ca -0.05 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 3at1 h LEU 199 Cb 0.43 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 3at1 h LEU 199 CO 0.08 0.55 -0.26 0.44 0.09 0.00 0.00 178.44 179.34 3at1 h ASP 200 N 0.90 -0.69 -0.78 -0.43 3.32 -0.39 -1.12 116.42 117.24 3at1 h ASP 200 Ca 0.25 0.05 0.10 0.00 0.02 0.00 0.00 57.03 57.45 3at1 h ASP 200 Cb -0.08 0.22 -0.11 0.00 0.22 0.00 0.00 39.33 39.58 3at1 h ASP 200 CO -0.06 -0.36 -0.38 0.80 -1.72 0.00 0.00 179.24 177.52 3at1 n MET 201 N -3.91 -0.26 0.10 3.56 0.00 -0.84 0.00 117.12 115.78 3at1 n MET 201 Ca -0.07 1.19 -0.13 0.00 0.00 0.00 0.00 57.70 58.70 3at1 n MET 201 Cb 0.24 -1.76 -0.06 0.00 0.00 0.00 0.00 33.22 31.64 3at1 n MET 201 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 175.97 175.90 3at1 h LEU 202 N 0.00 -0.31 -0.68 -0.89 3.38 -1.03 -0.01 115.31 115.76 3at1 h LEU 202 Ca 0.20 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.20 3at1 h LEU 202 Cb 0.39 0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.22 3at1 h LEU 202 CO -0.75 -0.18 0.44 0.44 0.09 0.00 0.00 178.44 178.47 3at1 h ASP 203 N -0.26 0.79 -0.12 -0.43 3.32 0.24 -1.17 116.42 118.80 3at1 h ASP 203 Ca 0.01 -0.03 0.02 0.00 0.02 0.00 0.00 57.03 57.04 3at1 h ASP 203 Cb 0.25 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.58 3at1 h ASP 203 CO -0.03 0.59 -0.03 -0.08 -1.72 0.00 0.00 179.24 177.97 3at1 h GLU 204 N 0.92 -0.00 -0.27 3.56 4.81 -0.18 -0.42 114.58 123.01 3at1 h GLU 204 Ca 0.25 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.48 3at1 h GLU 204 Cb -0.08 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.30 3at1 h GLU 204 CO -0.05 -0.00 0.00 1.17 -0.73 0.00 0.00 179.01 179.40 3at1 n LYS 205 N -5.15 1.05 -2.03 1.92 0.00 -0.04 -4.91 118.16 109.00 3at1 n LYS 205 Ca -0.04 -0.06 -0.07 0.00 0.00 0.00 0.00 58.31 58.13 3at1 n LYS 205 Cb 0.09 -1.14 -0.01 0.00 0.00 0.00 0.00 35.03 33.97 3at1 n LYS 205 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3at1 n GLY 206 N 0.39 0.18 3.77 3.14 0.00 -0.17 -5.04 105.19 107.46 3at1 n GLY 206 Ca 0.01 -0.61 -0.36 0.00 0.00 0.00 0.00 46.02 45.06 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 -2.34 4.88 -0.18 -0.61 1.01 -0.54 -5.01 121.20 118.42 3at1 s ILE 207 Ca 0.00 -0.03 -0.27 0.00 0.00 0.00 0.00 60.65 60.35 3at1 s ILE 207 Cb 0.00 -3.10 -0.01 0.00 0.01 0.00 0.00 42.46 39.36 3at1 s ILE 207 CO 0.00 0.60 0.94 0.00 0.00 0.00 0.00 174.94 176.48 3at1 s ALA 208 N -0.83 3.55 0.09 9.38 0.00 -1.26 -4.60 121.76 128.09 3at1 s ALA 208 Ca 0.13 0.15 0.02 0.00 0.00 0.00 0.00 51.96 52.26 3at1 s ALA 208 Cb -0.12 -3.39 -0.04 0.00 0.00 0.00 0.00 23.12 19.58 3at1 s ALA 208 CO 0.03 -0.79 -0.07 1.67 0.00 0.00 0.00 175.76 176.59 3at1 s TRP 209 N 2.51 0.87 -0.15 0.00 1.48 -1.26 -0.68 118.94 121.71 3at1 s TRP 209 Ca 0.42 -0.78 -0.16 0.00 -1.06 0.00 0.00 56.10 54.53 3at1 s TRP 209 Cb -0.16 -0.50 0.04 0.00 -1.16 0.00 0.00 33.47 31.69 3at1 s TRP 209 CO 0.11 -0.11 0.44 -1.54 -4.06 0.00 0.00 176.95 171.79 3at1 s SER 210 N -2.63 -0.44 0.19 -2.66 1.04 -0.62 -4.93 113.70 103.64 3at1 s SER 210 Ca 0.06 0.83 -0.25 0.00 0.48 0.00 0.00 55.95 57.07 3at1 s SER 210 Cb 0.01 0.85 -0.08 0.00 0.10 0.00 0.00 66.02 66.89 3at1 s SER 210 CO -0.03 -0.18 0.80 -0.76 0.98 0.00 0.00 173.24 174.05 3at1 s LEU 211 N 0.10 4.56 0.10 2.42 1.02 -1.26 -1.30 118.68 124.32 3at1 s LEU 211 Ca -0.01 1.66 0.02 0.00 0.02 0.00 0.00 54.13 55.82 3at1 s LEU 211 Cb -0.03 -3.39 -0.04 0.00 0.02 0.00 0.00 46.19 42.74 3at1 s LEU 211 CO 0.01 0.17 -0.07 -1.00 0.02 0.00 0.00 176.35 175.49 3at1 s HIS 212 N -1.21 0.93 -0.13 0.29 3.76 -0.17 -4.90 115.29 113.86 3at1 s HIS 212 Ca 0.38 -0.90 0.18 0.00 -0.15 0.00 0.00 55.06 54.57 3at1 s HIS 212 Cb -0.23 -0.53 -0.21 0.00 1.11 0.00 0.00 32.58 32.72 3at1 s HIS 212 CO 0.26 -0.13 0.53 0.43 -0.85 0.00 0.00 174.74 174.99 3at1 n SER 213 N -0.06 0.42 -3.87 1.40 7.64 -1.26 -4.43 113.62 113.46 3at1 n SER 213 Ca -0.12 0.18 -0.12 0.00 1.01 0.00 0.00 58.87 59.83 3at1 n SER 213 Cb 0.61 0.83 -0.12 0.00 -1.01 0.00 0.00 64.21 64.52 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 -5.39 -0.01 0.33 6.43 0.01 -1.26 -4.95 113.70 108.85 3at1 s SER 214 Ca -0.06 -0.00 0.11 0.00 1.31 0.00 0.00 55.95 57.31 3at1 s SER 214 Cb 0.09 0.16 0.92 0.00 0.21 0.00 0.00 66.02 67.41 3at1 s SER 214 CO 0.84 -0.13 1.74 0.40 0.41 0.00 0.00 173.24 176.50 3at1 h ILE 215 N 4.84 0.55 -0.71 1.44 2.04 -1.92 -1.05 117.51 122.69 3at1 h ILE 215 Ca -0.27 -0.19 0.13 0.00 1.00 0.00 0.00 64.86 65.53 3at1 h ILE 215 Cb 1.20 -0.06 -0.13 0.00 -0.74 0.00 0.00 36.82 37.09 3at1 h ILE 215 CO 0.44 0.10 -0.28 -0.08 0.00 0.00 0.00 178.15 178.33 3at1 h GLU 216 N 0.56 -0.07 0.00 2.37 4.22 -1.95 0.11 114.58 119.81 3at1 h GLU 216 Ca 0.63 0.01 -0.03 0.00 0.08 0.00 0.00 59.36 60.04 3at1 h GLU 216 Cb 1.26 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.52 3at1 h GLU 216 CO -0.43 -0.05 -0.16 0.93 -2.18 0.00 0.00 179.01 177.12 3at1 h GLU 217 N -0.08 0.00 0.13 1.92 5.08 -1.60 -3.25 114.58 116.78 3at1 h GLU 217 Ca 0.30 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 58.38 3at1 h GLU 217 Cb 0.56 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.81 3at1 h GLU 217 CO -0.76 0.16 -1.44 -0.24 -1.00 0.00 0.00 179.01 175.73 3at1 h VAL 218 N 0.00 1.04 -0.72 3.13 3.04 -1.15 -3.42 116.25 118.18 3at1 h VAL 218 Ca -0.00 -2.42 0.25 0.00 -1.01 0.00 0.00 66.70 63.51 3at1 h VAL 218 Cb 0.45 2.75 -0.07 0.00 -2.01 0.00 0.00 31.29 32.40 3at1 h VAL 218 CO 0.02 0.73 0.46 0.80 -1.01 0.00 0.00 177.57 178.57 3at1 n MET 219 N -3.88 -0.02 0.16 4.17 0.00 0.18 -1.04 117.12 116.69 3at1 n MET 219 Ca -0.24 0.66 0.02 0.00 0.00 0.00 0.00 57.70 58.14 3at1 n MET 219 Cb 0.92 -1.30 0.38 0.00 0.00 0.00 0.00 33.22 33.22 3at1 n MET 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3at1 h ALA 220 N 0.85 1.45 0.04 -5.12 0.00 -1.81 -3.34 119.26 111.33 3at1 h ALA 220 Ca 0.46 -0.27 -0.34 0.00 0.00 0.00 0.00 54.91 54.77 3at1 h ALA 220 Cb 1.48 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 19.16 3at1 h ALA 220 CO -0.25 0.39 -2.02 0.39 0.00 0.00 0.00 179.25 177.77 3at1 n GLU 221 N -4.20 0.68 -1.93 0.00 -0.58 -0.20 -4.61 120.64 109.80 3at1 n GLU 221 Ca -0.01 0.21 -0.40 0.00 -0.42 0.00 0.00 57.16 56.54 3at1 n GLU 221 Cb 0.33 -1.69 0.00 0.00 -0.57 0.00 0.00 31.44 29.52 3at1 n GLU 221 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 3at1 s VAL 222 N -2.56 2.35 -0.18 2.62 1.01 -1.24 -4.73 120.40 117.67 3at1 s VAL 222 Ca -0.15 0.32 -0.15 0.00 0.00 0.00 0.00 61.98 62.00 3at1 s VAL 222 Cb 0.07 -3.19 -0.07 0.00 0.00 0.00 0.00 36.38 33.19 3at1 s VAL 222 CO 0.78 0.05 -0.32 0.47 0.00 0.00 0.00 175.10 176.08 3at1 n ASP 223 N 0.07 1.85 -4.47 3.32 8.00 0.60 -4.52 116.55 121.39 3at1 n ASP 223 Ca 0.04 0.31 -0.33 0.00 0.71 0.00 0.00 54.79 55.52 3at1 n ASP 223 Cb 0.42 -0.72 -0.13 0.00 -0.02 0.00 0.00 41.12 40.68 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 -2.73 3.24 -0.32 0.53 -1.09 -0.85 -2.26 121.20 117.74 3at1 s ILE 224 Ca -0.29 -0.63 0.03 0.00 -2.23 0.00 0.00 60.65 57.53 3at1 s ILE 224 Cb 0.07 -2.32 0.09 0.00 -1.58 0.00 0.00 42.46 38.72 3at1 s ILE 224 CO 0.41 0.57 0.02 -0.22 -1.23 0.00 0.00 174.94 174.48 3at1 s LEU 225 N -0.39 4.23 -0.48 2.97 2.96 0.21 -1.28 118.68 126.90 3at1 s LEU 225 Ca 0.05 -1.92 -0.18 0.00 -0.22 0.00 0.00 54.13 51.85 3at1 s LEU 225 Cb -0.12 -1.54 0.05 0.00 0.50 0.00 0.00 46.19 45.08 3at1 s LEU 225 CO 0.02 -0.34 0.56 -0.47 -1.32 0.00 0.00 176.35 174.80 3at1 s TYR 226 N 1.01 3.10 0.44 5.38 6.14 -0.40 -0.95 117.35 132.07 3at1 s TYR 226 Ca 0.06 -0.54 -0.11 0.00 0.64 0.00 0.00 57.07 57.12 3at1 s TYR 226 Cb -0.19 -3.36 -0.06 0.00 0.42 0.00 0.00 41.96 38.77 3at1 s TYR 226 CO -0.08 -0.93 0.81 -1.64 0.64 0.00 0.00 175.55 174.35 3at1 s MET 227 N 2.40 3.77 -0.00 4.97 -1.94 0.21 -2.28 119.30 126.43 3at1 s MET 227 Ca 0.13 0.52 0.03 0.00 -1.71 0.00 0.00 55.69 54.66 3at1 s MET 227 Cb -0.19 -2.34 -0.01 0.00 2.01 0.00 0.00 34.83 34.30 3at1 s MET 227 CO 0.12 -0.11 -0.09 0.99 -0.01 0.00 0.00 175.02 175.92 3at1 s THR 228 N -2.48 0.73 0.05 2.05 2.01 -0.67 -3.96 115.64 113.37 3at1 s THR 228 Ca 0.52 -0.46 -0.30 0.00 0.31 0.00 0.00 61.69 61.76 3at1 s THR 228 Cb -0.10 -0.62 -0.09 0.00 0.01 0.00 0.00 72.50 71.69 3at1 s THR 228 CO 0.34 0.15 1.95 -0.60 -0.69 0.00 0.00 174.62 175.77 3at1 s ARG 229 N -0.35 4.14 0.03 4.92 3.52 -1.26 -4.60 118.95 125.34 3at1 s ARG 229 Ca 0.03 2.62 -0.20 0.00 -0.13 0.00 0.00 55.73 58.04 3at1 s ARG 229 Cb -0.04 -4.08 -0.06 0.00 -1.56 0.00 0.00 34.95 29.21 3at1 s ARG 229 CO -0.00 -0.94 0.58 0.08 -0.81 0.00 0.00 175.30 174.20 3at1 s VAL 230 N 4.21 4.83 -0.59 7.11 1.01 -1.26 -4.38 120.40 131.34 3at1 s VAL 230 Ca 0.87 1.22 -0.23 0.00 0.00 0.00 0.00 61.98 63.85 3at1 s VAL 230 Cb -0.43 -3.91 0.06 0.00 0.00 0.00 0.00 36.38 32.10 3at1 s VAL 230 CO 0.41 0.48 0.89 -1.10 0.00 0.00 0.00 175.10 175.79 3at1 s GLN 231 N -0.63 3.20 0.57 2.72 1.11 -1.26 -4.90 119.66 120.47 3at1 s GLN 231 Ca 0.30 -0.63 0.26 0.00 0.01 0.00 0.00 55.36 55.30 3at1 s GLN 231 Cb -0.19 -4.14 1.60 0.00 -1.01 0.00 0.00 33.01 29.27 3at1 s GLN 231 CO 0.18 -1.58 2.14 -0.22 0.01 0.00 0.00 175.29 175.82 3at1 h LYS 232 N 9.36 0.00 -0.01 2.91 1.63 -1.94 0.10 116.57 128.62 3at1 h LYS 232 Ca -0.28 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.52 3at1 h LYS 232 Cb 1.08 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.71 3at1 h LYS 232 CO 1.11 0.00 -0.10 0.39 -3.45 0.00 0.00 179.45 177.39 3at1 n GLU 233 N -4.02 1.04 -0.43 1.90 4.71 -1.26 -3.12 120.64 119.44 3at1 n GLU 233 Ca 0.00 -0.48 0.11 0.00 -0.01 0.00 0.00 57.16 56.79 3at1 n GLU 233 Cb 0.25 -1.49 0.33 0.00 -1.01 0.00 0.00 31.44 29.52 3at1 n GLU 233 CO 0.00 0.00 0.00 -2.13 0.09 0.00 0.00 177.13 175.09 3at1 n ARG 234 N -0.56 2.98 -4.11 3.49 3.00 0.35 -4.91 116.66 116.90 3at1 n ARG 234 Ca 0.16 -2.73 -0.11 0.00 -0.00 0.00 0.00 57.85 55.17 3at1 n ARG 234 Cb 0.30 -1.65 -0.08 0.00 0.00 0.00 0.00 32.46 31.02 3at1 n ARG 234 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 3at1 s LEU 235 N -1.20 0.96 0.32 6.15 1.43 -1.18 -5.05 118.68 120.10 3at1 s LEU 235 Ca 0.50 -1.19 -0.27 0.00 -1.03 0.00 0.00 54.13 52.13 3at1 s LEU 235 Cb 0.27 0.84 -0.09 0.00 0.03 0.00 0.00 46.19 47.24 3at1 s LEU 235 CO 0.32 -0.92 1.05 -0.62 0.23 0.00 0.00 176.35 176.40 3at1 s ASP 236 N -3.09 7.14 0.35 2.29 2.15 -1.26 -4.82 116.67 119.42 3at1 s ASP 236 Ca 0.31 2.11 0.17 0.00 0.43 0.00 0.00 52.55 55.56 3at1 s ASP 236 Cb 0.05 -2.61 1.16 0.00 -0.30 0.00 0.00 42.92 41.22 3at1 s ASP 236 CO 0.09 -0.22 1.65 -0.65 -0.17 0.00 0.00 175.17 175.86 3at1 h PRO 237 N 3.32 0.24 0.00 4.34 0.11 -1.99 0.72 132.00 138.74 3at1 h PRO 237 Ca -0.47 -0.01 -0.16 0.00 0.11 0.00 0.00 66.00 65.47 3at1 h PRO 237 Cb 1.21 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 32.24 3at1 h PRO 237 CO 0.65 0.16 -0.87 0.77 -0.21 0.00 0.00 178.00 178.50 3at1 h SER 238 N 0.25 0.00 -0.10 -2.05 0.02 -1.97 -3.23 113.55 106.46 3at1 h SER 238 Ca 0.76 0.00 -0.18 0.00 -0.84 0.00 0.00 61.79 61.53 3at1 h SER 238 Cb 1.83 0.00 0.01 0.00 0.14 0.00 0.00 62.40 64.38 3at1 h SER 238 CO -0.63 0.70 -0.63 -0.08 -1.14 0.00 0.00 176.83 175.05 3at1 h GLU 239 N 0.00 0.61 0.53 3.45 4.81 0.04 -1.53 114.58 122.49 3at1 h GLU 239 Ca -0.05 -0.52 -0.02 0.00 -0.13 0.00 0.00 59.36 58.65 3at1 h GLU 239 Cb 1.58 0.11 -0.00 0.00 0.63 0.00 0.00 28.75 31.07 3at1 h GLU 239 CO 0.08 1.14 -0.33 -0.92 -0.73 0.00 0.00 179.01 178.26 3at1 h TYR 240 N 0.25 -0.86 -0.76 0.92 5.03 -1.12 -3.24 116.97 117.18 3at1 h TYR 240 Ca -0.05 -0.01 0.04 0.00 2.58 0.00 0.00 58.73 61.29 3at1 h TYR 240 Cb 1.28 0.31 -0.05 0.00 1.55 0.00 0.00 36.73 39.81 3at1 h TYR 240 CO 0.11 -0.50 0.47 0.00 -1.32 0.00 0.00 178.16 176.92 3at1 h ALA 241 N -0.41 1.01 -1.93 1.82 0.00 -1.68 -3.39 119.26 114.68 3at1 h ALA 241 Ca -0.06 -0.02 -0.57 0.00 0.00 0.00 0.00 54.91 54.26 3at1 h ALA 241 Cb 0.66 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 18.17 3at1 h ALA 241 CO 0.06 0.24 0.94 -0.80 0.00 0.00 0.00 179.25 179.69 3at1 s ASN 242 N -5.76 6.73 0.00 0.00 0.01 -0.58 -4.78 114.94 110.57 3at1 s ASN 242 Ca -0.13 1.10 0.00 0.00 -0.71 0.00 0.00 52.86 53.12 3at1 s ASN 242 Cb 0.16 -2.54 0.00 0.00 0.41 0.00 0.00 41.25 39.28 3at1 s ASN 242 CO 0.78 -1.05 0.00 0.52 -1.51 0.00 0.00 177.10 175.83 3at1 n VAL 243 N 6.20 0.00 0.00 1.60 0.31 -1.26 -4.79 118.33 120.38 3at1 n VAL 243 Ca 0.14 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.47 3at1 n VAL 243 Cb 0.47 -0.12 0.00 0.00 -0.91 0.00 0.00 33.84 33.27 3at1 n VAL 243 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 3at1 n LYS 244 N -0.46 0.00 0.00 5.55 5.02 -1.26 -5.02 118.16 121.99 3at1 n LYS 244 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3at1 n LYS 244 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 3at1 n LYS 244 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3at1 n ALA 245 N 0.00 0.00 -3.00 7.82 0.00 -1.26 -5.18 120.51 118.89 3at1 n ALA 245 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 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 1.04 0.00 0.00 0.00 177.50 178.54 3at1 n GLN 246 N 0.00 0.00 -2.08 0.00 1.13 -1.26 -5.01 117.38 110.15 3at1 n GLN 246 Ca 0.00 0.00 -0.15 0.00 -1.94 0.00 0.00 57.00 54.91 3at1 n GLN 246 Cb 0.00 0.00 0.04 0.00 0.11 0.00 0.00 30.24 30.39 3at1 n GLN 246 CO 0.00 0.00 0.00 1.19 -1.44 0.00 0.00 177.06 176.81 3at1 n PHE 247 N 0.00 2.11 -4.08 1.08 3.72 -1.26 -4.95 117.46 114.08 3at1 n PHE 247 Ca 0.00 -2.10 -0.32 0.00 -0.05 0.00 0.00 57.45 54.98 3at1 n PHE 247 Cb 0.00 -0.30 -0.07 0.00 -0.94 0.00 0.00 39.48 38.17 3at1 n PHE 247 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 176.76 176.85 3at1 s VAL 248 N -4.18 4.69 -0.20 -4.37 -7.23 -1.26 -4.88 120.40 102.97 3at1 s VAL 248 Ca 0.44 -0.52 -0.07 0.00 -1.81 0.00 0.00 61.98 60.02 3at1 s VAL 248 Cb 0.39 -3.19 -0.04 0.00 0.56 0.00 0.00 36.38 34.10 3at1 s VAL 248 CO 0.01 0.27 0.05 -0.22 -0.31 0.00 0.00 175.10 174.90 3at1 s LEU 249 N -1.97 3.64 0.12 1.32 2.96 -0.02 -4.99 118.68 119.74 3at1 s LEU 249 Ca 0.25 -0.03 0.08 0.00 -0.22 0.00 0.00 54.13 54.21 3at1 s LEU 249 Cb -0.12 -1.93 -0.04 0.00 0.50 0.00 0.00 46.19 44.60 3at1 s LEU 249 CO 0.17 0.12 -0.18 -0.13 -1.32 0.00 0.00 176.35 175.00 3at1 s ARG 250 N 0.72 1.12 0.41 1.98 0.52 -1.26 -0.72 118.95 121.72 3at1 s ARG 250 Ca 0.03 -1.23 0.20 0.00 -0.52 0.00 0.00 55.73 54.21 3at1 s ARG 250 Cb -0.13 -1.23 1.16 0.00 0.52 0.00 0.00 34.95 35.26 3at1 s ARG 250 CO 0.02 0.27 1.76 0.00 0.02 0.00 0.00 175.30 177.37 3at1 h ALA 251 N 3.73 2.32 -0.64 2.13 0.00 -1.84 -0.50 119.26 124.47 3at1 h ALA 251 Ca -0.43 0.06 0.13 0.00 0.00 0.00 0.00 54.91 54.67 3at1 h ALA 251 Cb 1.19 0.05 -0.12 0.00 0.00 0.00 0.00 17.79 18.91 3at1 h ALA 251 CO 0.45 -0.74 -0.13 0.66 0.00 0.00 0.00 179.25 179.48 3at1 h SER 252 N 0.34 -0.54 -0.19 0.00 4.64 -1.97 -0.63 113.55 115.20 3at1 h SER 252 Ca 0.61 0.19 0.06 0.00 -0.47 0.00 0.00 61.79 62.17 3at1 h SER 252 Cb 1.64 0.38 -0.01 0.00 -0.31 0.00 0.00 62.40 64.10 3at1 h SER 252 CO -0.29 -0.20 0.14 0.44 -0.87 0.00 0.00 176.83 176.05 3at1 h ASP 253 N 0.02 0.00 0.08 4.97 3.32 -1.51 0.29 116.42 123.58 3at1 h ASP 253 Ca 0.31 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.36 3at1 h ASP 253 Cb 0.48 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.03 3at1 h ASP 253 CO -0.64 0.00 0.00 0.18 -1.72 0.00 0.00 179.24 177.06 3at1 n LEU 254 N -4.48 0.00 0.28 1.55 4.77 -0.24 -3.85 117.00 115.02 3at1 n LEU 254 Ca 0.02 0.04 0.13 0.00 -0.03 0.00 0.00 56.01 56.17 3at1 n LEU 254 Cb 0.28 -0.04 0.83 0.00 -2.33 0.00 0.00 43.42 42.16 3at1 n LEU 254 CO 0.35 -0.01 1.11 0.45 -1.33 0.00 0.00 177.39 177.97 3at1 h HIS 255 N 0.00 0.00 -0.18 -1.77 3.86 -1.02 -1.17 115.15 114.87 3at1 h HIS 255 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3at1 h HIS 255 Cb 0.04 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.51 3at1 h HIS 255 CO 0.00 0.00 0.00 -1.71 0.86 0.00 0.00 177.93 177.08 3at1 n ASN 256 N -4.04 2.21 -4.79 2.45 4.05 -1.25 -4.95 115.26 108.94 3at1 n ASN 256 Ca -0.02 -1.77 -0.34 0.00 0.45 0.00 0.00 54.58 52.89 3at1 n ASN 256 Cb 0.11 -0.11 -0.02 0.00 1.23 0.00 0.00 39.78 40.99 3at1 n ASN 256 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 3at1 s ALA 257 N -1.78 2.80 0.69 5.20 0.00 -0.44 -4.29 121.76 123.93 3at1 s ALA 257 Ca 0.34 0.67 -0.16 0.00 0.00 0.00 0.00 51.96 52.82 3at1 s ALA 257 Cb 0.20 -3.29 0.02 0.00 0.00 0.00 0.00 23.12 20.04 3at1 s ALA 257 CO 0.29 -0.49 1.18 0.15 0.00 0.00 0.00 175.76 176.89 3at1 s LYS 258 N -3.28 2.47 0.26 0.00 1.02 -1.26 -4.94 119.74 114.00 3at1 s LYS 258 Ca 0.69 1.65 -0.05 0.00 0.02 0.00 0.00 55.97 58.29 3at1 s LYS 258 Cb -0.19 -1.88 0.32 0.00 -0.52 0.00 0.00 37.83 35.55 3at1 s LYS 258 CO 0.23 -1.56 1.92 0.00 -0.92 0.00 0.00 175.35 175.02 3at1 h ALA 259 N -0.01 1.33 0.00 5.17 0.00 -1.95 -0.68 119.26 123.11 3at1 h ALA 259 Ca -0.48 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.38 3at1 h ALA 259 Cb 1.28 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.70 3at1 h ALA 259 CO 0.52 0.59 0.00 0.27 0.00 0.00 0.00 179.25 180.63 3at1 n ASN 260 N -4.42 0.38 -4.77 0.00 6.94 -1.26 -4.88 115.26 107.25 3at1 n ASN 260 Ca 0.13 0.57 -0.41 0.00 -0.02 0.00 0.00 54.58 54.85 3at1 n ASN 260 Cb 0.07 -0.66 -0.02 0.00 -2.36 0.00 0.00 39.78 36.81 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 -3.12 4.33 0.10 -3.83 1.75 -0.26 -4.92 119.30 113.35 3at1 s MET 261 Ca 0.08 2.24 0.08 0.00 -1.25 0.00 0.00 55.69 56.84 3at1 s MET 261 Cb 0.12 -3.07 -0.03 0.00 2.84 0.00 0.00 34.83 34.68 3at1 s MET 261 CO 0.43 -0.23 -0.20 0.15 -0.65 0.00 0.00 175.02 174.52 3at1 s LYS 262 N -1.61 1.09 -0.19 4.11 -0.14 -0.96 -4.50 119.74 117.54 3at1 s LYS 262 Ca 0.50 -1.14 -0.06 0.00 -1.36 0.00 0.00 55.97 53.91 3at1 s LYS 262 Cb -0.40 -1.33 -0.03 0.00 -1.68 0.00 0.00 37.83 34.38 3at1 s LYS 262 CO 0.52 0.31 0.04 0.08 -0.76 0.00 0.00 175.35 175.53 3at1 s VAL 263 N -1.18 4.41 -0.03 3.17 1.01 -0.12 -0.62 120.40 127.05 3at1 s VAL 263 Ca 0.06 -0.16 0.06 0.00 0.00 0.00 0.00 61.98 61.93 3at1 s VAL 263 Cb -0.10 -2.99 -0.01 0.00 0.00 0.00 0.00 36.38 33.28 3at1 s VAL 263 CO 0.04 0.44 -0.20 -0.76 0.00 0.00 0.00 175.10 174.62 3at1 s LEU 264 N 0.67 2.01 -0.11 3.92 1.02 -0.12 -1.77 118.68 124.30 3at1 s LEU 264 Ca 0.02 -0.37 -0.07 0.00 0.02 0.00 0.00 54.13 53.73 3at1 s LEU 264 Cb -0.14 -1.04 0.04 0.00 0.02 0.00 0.00 46.19 45.08 3at1 s LEU 264 CO 0.02 0.22 0.27 -2.28 0.02 0.00 0.00 176.35 174.59 3at1 s HIS 265 N -0.31 -0.34 -0.58 0.29 2.46 -1.26 0.66 115.29 116.20 3at1 s HIS 265 Ca 0.04 0.81 0.16 0.00 0.47 0.00 0.00 55.06 56.53 3at1 s HIS 265 Cb -0.09 0.08 0.76 0.00 -0.13 0.00 0.00 32.58 33.20 3at1 s HIS 265 CO 0.00 -0.22 1.48 -0.35 -2.47 0.00 0.00 174.74 173.19 3at1 n PRO 266 N 3.87 0.10 -1.38 2.88 -0.04 -1.25 -4.82 135.00 134.35 3at1 n PRO 266 Ca -0.22 0.49 0.00 0.00 -0.04 0.00 0.00 63.50 63.74 3at1 n PRO 266 Cb 0.55 -1.76 0.00 0.00 -0.04 0.00 0.00 33.50 32.25 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 -1.96 -1.19 -4.76 1.53 4.77 -1.26 -5.00 117.00 109.13 3at1 n LEU 267 Ca 0.01 1.73 -0.40 0.00 -0.03 0.00 0.00 56.01 57.32 3at1 n LEU 267 Cb 0.09 -2.48 -0.04 0.00 -2.33 0.00 0.00 43.42 38.66 3at1 n LEU 267 CO 0.10 0.13 0.82 -2.84 -1.33 0.00 0.00 177.39 174.28 3at1 s PRO 268 N -3.56 4.55 -0.15 3.23 0.02 -1.26 -5.09 135.00 132.74 3at1 s PRO 268 Ca 0.00 1.87 -0.06 0.00 0.02 0.00 0.00 61.00 62.83 3at1 s PRO 268 Cb 0.00 -3.12 -0.04 0.00 0.02 0.00 0.00 34.50 31.36 3at1 s PRO 268 CO 0.00 0.11 0.04 0.50 -0.33 0.00 0.00 177.00 177.32 3at1 s ARG 269 N -1.58 3.70 0.00 5.54 3.00 -1.26 -4.62 118.95 123.73 3at1 s ARG 269 Ca 0.46 -0.37 0.00 0.00 -1.00 0.00 0.00 55.73 54.82 3at1 s ARG 269 Cb -0.33 -3.07 0.00 0.00 0.00 0.00 0.00 34.95 31.55 3at1 s ARG 269 CO 0.43 0.39 0.00 0.28 0.00 0.00 0.00 175.30 176.39 3at1 n VAL 270 N 3.15 0.00 0.31 7.11 0.31 -1.26 -4.94 118.33 123.01 3at1 n VAL 270 Ca -0.17 0.00 0.13 0.00 -0.01 0.00 0.00 64.34 64.28 3at1 n VAL 270 Cb 0.53 -0.09 0.28 0.00 -0.91 0.00 0.00 33.84 33.65 3at1 n VAL 270 CO 0.00 0.00 0.00 -2.24 -1.32 0.00 0.00 176.83 173.27 3at1 h ASP 271 N 0.00 0.00 0.22 4.52 3.04 -1.96 -3.39 116.42 118.84 3at1 h ASP 271 Ca 0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 3at1 h ASP 271 Cb 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.29 3at1 h ASP 271 CO 0.00 0.00 -0.46 -1.84 -2.04 0.00 0.00 179.24 174.90 3at1 n GLU 272 N -2.92 0.61 -3.61 4.15 0.00 -1.26 -4.54 120.64 113.07 3at1 n GLU 272 Ca 0.04 -0.42 -0.25 0.00 0.00 0.00 0.00 57.16 56.54 3at1 n GLU 272 Cb 0.48 -1.49 -0.17 0.00 0.00 0.00 0.00 31.44 30.26 3at1 n GLU 272 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.13 177.55 3at1 s ILE 273 N -2.68 -0.11 -0.01 3.84 1.01 -1.26 -0.84 121.20 121.15 3at1 s ILE 273 Ca 0.18 -0.08 -0.30 0.00 0.00 0.00 0.00 60.65 60.45 3at1 s ILE 273 Cb 0.18 -0.52 -0.06 0.00 0.01 0.00 0.00 42.46 42.07 3at1 s ILE 273 CO 0.62 -0.21 1.62 0.00 0.00 0.00 0.00 174.94 176.97 3at1 s ALA 274 N 2.16 3.63 0.36 9.38 0.00 0.11 -4.91 121.76 132.48 3at1 s ALA 274 Ca 0.03 1.00 0.00 0.00 0.00 0.00 0.00 51.96 52.99 3at1 s ALA 274 Cb -0.15 -3.71 0.00 0.00 0.00 0.00 0.00 23.12 19.25 3at1 s ALA 274 CO -0.08 -1.26 0.56 2.41 0.00 0.00 0.00 175.76 177.39 3at1 n THR 275 N 5.17 0.00 0.50 0.00 -1.04 -1.26 -0.65 114.28 117.00 3at1 n THR 275 Ca 0.16 0.56 0.13 0.00 -2.04 0.00 0.00 64.05 62.86 3at1 n THR 275 Cb 0.42 -1.12 0.43 0.00 -1.82 0.00 0.00 70.33 68.24 3at1 n THR 275 CO 0.00 0.00 0.00 -2.24 -0.64 0.00 0.00 175.07 172.19 3at1 h ASP 276 N 0.00 0.00 0.76 8.00 -0.00 -1.94 -2.72 116.42 120.52 3at1 h ASP 276 Ca 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 57.03 56.95 3at1 h ASP 276 Cb 1.11 0.00 -0.01 0.00 -0.00 0.00 0.00 39.33 40.43 3at1 h ASP 276 CO 0.00 0.00 -0.39 0.58 -0.00 0.00 0.00 179.24 179.43 3at1 h VAL 277 N 0.00 0.95 0.00 4.15 2.07 -1.23 -3.08 116.25 119.11 3at1 h VAL 277 Ca 0.00 -1.51 -0.00 0.00 0.82 0.00 0.00 66.70 66.01 3at1 h VAL 277 Cb 0.63 1.90 -0.00 0.00 -1.52 0.00 0.00 31.29 32.30 3at1 h VAL 277 CO 0.00 0.38 -0.00 0.44 0.02 0.00 0.00 177.57 178.41 3at1 h ASP 278 N 0.00 0.00 0.12 0.57 3.45 -1.63 -0.87 116.42 118.05 3at1 h ASP 278 Ca -0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 3at1 h ASP 278 Cb 0.87 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.64 3at1 h ASP 278 CO 0.05 0.00 -0.34 0.29 -1.57 0.00 0.00 179.24 177.67 3at1 n LYS 279 N -3.09 1.04 -2.86 3.56 4.76 -1.16 -4.87 118.16 115.55 3at1 n LYS 279 Ca -0.01 -0.75 -0.35 0.00 -2.87 0.00 0.00 58.31 54.34 3at1 n LYS 279 Cb 0.21 -1.48 -0.07 0.00 -1.84 0.00 0.00 35.03 31.85 3at1 n LYS 279 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 3at1 s THR 280 N -2.47 4.35 -0.75 -0.18 2.01 -0.33 -4.96 115.64 113.32 3at1 s THR 280 Ca 0.22 1.57 0.07 0.00 0.31 0.00 0.00 61.69 63.86 3at1 s THR 280 Cb 0.19 -3.81 0.07 0.00 0.01 0.00 0.00 72.50 68.96 3at1 s THR 280 CO 0.53 -0.05 1.20 -0.81 -0.69 0.00 0.00 174.62 174.80 3at1 n PRO 281 N 0.04 0.04 0.04 4.92 -0.04 -1.26 -2.89 135.00 135.86 3at1 n PRO 281 Ca 0.04 0.54 -0.14 0.00 -0.04 0.00 0.00 63.50 63.89 3at1 n PRO 281 Cb 0.52 -1.65 -0.14 0.00 -0.04 0.00 0.00 33.50 32.20 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 0.30 -2.84 0.54 3.86 -1.86 -3.45 115.15 111.70 3at1 h HIS 282 Ca 0.00 -0.22 -0.52 0.00 -1.16 0.00 0.00 60.37 58.47 3at1 h HIS 282 Cb 0.01 -0.01 0.06 0.00 1.06 0.00 0.00 27.41 28.53 3at1 h HIS 282 CO 0.00 1.28 0.96 0.00 0.86 0.00 0.00 177.93 181.02 3at1 s ALA 283 N -2.62 3.87 0.00 2.45 0.00 -1.14 -0.95 121.76 123.37 3at1 s ALA 283 Ca -0.07 1.54 0.00 0.00 0.00 0.00 0.00 51.96 53.43 3at1 s ALA 283 Cb 0.07 -3.67 0.00 0.00 0.00 0.00 0.00 23.12 19.52 3at1 s ALA 283 CO 0.84 -0.90 0.20 1.87 0.00 0.00 0.00 175.76 177.76 3at1 n TRP 284 N 3.61 0.00 -0.05 0.00 -0.00 -0.73 -4.85 117.44 115.42 3at1 n TRP 284 Ca 0.14 0.00 -0.03 0.00 -0.00 0.00 0.00 57.50 57.61 3at1 n TRP 284 Cb 0.36 0.07 0.20 0.00 -0.00 0.00 0.00 31.31 31.94 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 0.68 -0.65 5.87 -0.00 -1.83 0.07 116.97 121.11 3at1 h TYR 285 Ca 0.00 -0.11 -0.07 0.00 0.00 0.00 0.00 58.73 58.56 3at1 h TYR 285 Cb 0.91 -0.18 -0.03 0.00 0.00 0.00 0.00 36.73 37.43 3at1 h TYR 285 CO 0.00 0.70 0.15 0.74 -0.00 0.00 0.00 178.16 179.75 3at1 h PHE 286 N 0.59 1.10 -0.57 0.10 0.04 -1.91 -2.23 116.94 114.06 3at1 h PHE 286 Ca 0.11 -0.14 -0.08 0.00 2.80 0.00 0.00 57.97 60.67 3at1 h PHE 286 Cb 0.50 -0.31 -0.02 0.00 2.20 0.00 0.00 35.95 38.31 3at1 h PHE 286 CO 0.02 0.92 0.04 1.96 -0.60 0.00 0.00 178.31 180.65 3at1 h GLN 287 N 0.97 0.95 -0.09 1.51 7.50 -1.89 -1.49 115.11 122.56 3at1 h GLN 287 Ca 0.20 -0.26 0.04 0.00 0.50 0.00 0.00 58.65 59.14 3at1 h GLN 287 Cb 0.38 -0.11 -0.05 0.00 0.05 0.00 0.00 27.48 27.74 3at1 h GLN 287 CO 0.00 0.91 -0.26 0.37 -1.50 0.00 0.00 178.83 178.35 3at1 h GLN 288 N 0.88 -0.34 -0.60 1.46 4.15 -0.79 -2.04 115.11 117.82 3at1 h GLN 288 Ca 0.17 0.02 0.16 0.00 0.77 0.00 0.00 58.65 59.77 3at1 h GLN 288 Cb 0.46 0.08 -0.03 0.00 0.21 0.00 0.00 27.48 28.20 3at1 h GLN 288 CO 0.02 -0.23 0.42 0.00 -1.93 0.00 0.00 178.83 177.12 3at1 h ALA 289 N 0.53 2.44 -0.02 3.38 0.00 -0.91 0.23 119.26 124.92 3at1 h ALA 289 Ca 0.09 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.82 3at1 h ALA 289 Cb 0.48 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 3at1 h ALA 289 CO -0.29 -0.61 -0.70 0.78 0.00 0.00 0.00 179.25 178.43 3at1 h GLY 290 N 0.09 0.14 2.00 0.00 0.00 -0.78 -2.91 103.07 101.61 3at1 h GLY 290 Ca 0.29 -0.20 -0.02 0.00 0.00 0.00 0.00 47.33 47.40 3at1 h GLY 290 CO -0.03 0.18 -0.08 3.43 0.00 0.00 0.00 176.54 180.04 3at1 h ASN 291 N 0.09 0.00 -1.33 0.19 -0.26 0.14 -2.28 115.58 112.13 3at1 h ASN 291 Ca -0.02 0.00 0.40 0.00 -0.56 0.00 0.00 56.30 56.13 3at1 h ASN 291 Cb 1.25 0.00 -0.10 0.00 -1.06 0.00 0.00 38.32 38.41 3at1 h ASN 291 CO 0.10 0.08 0.89 1.23 -1.06 0.00 0.00 177.43 178.68 3at1 h GLY 292 N 2.28 0.88 0.85 2.83 0.00 -1.29 -0.41 103.07 108.22 3at1 h GLY 292 Ca -0.00 -0.10 -0.08 0.00 0.00 0.00 0.00 47.33 47.15 3at1 h GLY 292 CO 0.01 -0.22 -0.17 -2.22 0.00 0.00 0.00 176.54 173.94 3at1 h ILE 293 N 0.12 1.32 0.10 2.60 1.08 -1.59 -2.81 117.51 118.34 3at1 h ILE 293 Ca 0.75 -1.30 -0.28 0.00 -0.39 0.00 0.00 64.86 63.64 3at1 h ILE 293 Cb 2.46 1.66 0.02 0.00 -3.07 0.00 0.00 36.82 37.90 3at1 h ILE 293 CO -0.27 0.40 -1.19 -0.26 -0.69 0.00 0.00 178.15 176.14 3at1 h PHE 294 N 0.22 0.78 -0.04 1.37 0.04 -1.29 -1.51 116.94 116.51 3at1 h PHE 294 Ca 0.04 -0.50 -0.10 0.00 2.80 0.00 0.00 57.97 60.22 3at1 h PHE 294 Cb 0.70 -0.06 -0.01 0.00 2.20 0.00 0.00 35.95 38.78 3at1 h PHE 294 CO 0.07 1.35 -0.43 0.00 -0.60 0.00 0.00 178.31 178.71 3at1 h ALA 295 N 0.47 1.22 0.05 2.45 0.00 -1.36 -1.35 119.26 120.74 3at1 h ALA 295 Ca -0.15 -0.40 -0.23 0.00 0.00 0.00 0.00 54.91 54.12 3at1 h ALA 295 Cb 1.87 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.57 3at1 h ALA 295 CO 0.21 0.56 -1.06 -0.09 0.00 0.00 0.00 179.25 178.88 3at1 h ARG 296 N 0.07 0.18 -0.02 0.00 9.65 -1.48 -2.45 114.38 120.33 3at1 h ARG 296 Ca 0.00 -0.27 -0.00 0.00 -1.10 0.00 0.00 59.98 58.61 3at1 h ARG 296 Cb 0.79 0.09 -0.00 0.00 -1.39 0.00 0.00 29.97 29.46 3at1 h ARG 296 CO 0.06 1.08 0.00 0.37 2.80 0.00 0.00 179.97 184.28 3at1 h GLN 297 N 0.07 0.04 -0.65 0.20 4.15 -1.04 -3.02 115.11 114.86 3at1 h GLN 297 Ca -0.07 -0.01 0.14 0.00 0.77 0.00 0.00 58.65 59.47 3at1 h GLN 297 Cb 1.77 -0.00 -0.12 0.00 0.21 0.00 0.00 27.48 29.34 3at1 h GLN 297 CO 0.16 0.33 -0.07 0.00 -1.93 0.00 0.00 178.83 177.33 3at1 h ALA 298 N 0.71 0.56 0.37 3.38 0.00 -1.15 0.20 119.26 123.33 3at1 h ALA 298 Ca 0.01 0.23 -0.00 0.00 0.00 0.00 0.00 54.91 55.14 3at1 h ALA 298 Cb 0.31 0.42 -0.03 0.00 0.00 0.00 0.00 17.79 18.49 3at1 h ALA 298 CO 0.00 -0.42 -0.51 1.25 0.00 0.00 0.00 179.25 179.58 3at1 h LEU 299 N 0.06 -1.43 -0.77 0.00 5.85 -1.35 -0.36 115.31 117.30 3at1 h LEU 299 Ca 0.33 0.13 0.06 0.00 0.84 0.00 0.00 57.88 59.25 3at1 h LEU 299 Cb 0.54 0.49 -0.06 0.00 0.37 0.00 0.00 40.66 42.01 3at1 h LEU 299 CO -0.61 -0.63 0.46 -0.07 -0.34 0.00 0.00 178.44 177.25 3at1 h LEU 300 N -0.92 0.70 -0.04 2.25 3.38 -1.27 0.14 115.31 119.55 3at1 h LEU 300 Ca -0.04 0.03 0.02 0.00 0.09 0.00 0.00 57.88 57.97 3at1 h LEU 300 Cb 0.83 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.45 3at1 h LEU 300 CO -0.14 0.44 -0.06 0.00 0.09 0.00 0.00 178.44 178.78 3at1 h ALA 301 N 1.39 -0.02 -0.45 1.53 0.00 -0.44 -0.17 119.26 121.09 3at1 h ALA 301 Ca 0.34 0.02 -0.07 0.00 0.00 0.00 0.00 54.91 55.20 3at1 h ALA 301 Cb 0.20 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 3at1 h ALA 301 CO -0.18 -0.54 -0.02 -0.07 0.00 0.00 0.00 179.25 178.43 3at1 h LEU 302 N -0.08 0.73 -0.43 0.00 3.38 -0.65 -0.41 115.31 117.84 3at1 h LEU 302 Ca 0.04 -0.18 -0.18 0.00 0.09 0.00 0.00 57.88 57.65 3at1 h LEU 302 Cb 0.14 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 3at1 h LEU 302 CO -0.09 0.81 -0.72 0.58 0.09 0.00 0.00 178.44 179.11 3at1 h VAL 303 N 0.71 1.39 -0.01 1.22 2.07 -0.40 -3.18 116.25 118.05 3at1 h VAL 303 Ca 0.14 -2.15 0.00 0.00 0.82 0.00 0.00 66.70 65.51 3at1 h VAL 303 Cb 0.47 2.12 0.00 0.00 -1.52 0.00 0.00 31.29 32.35 3at1 h VAL 303 CO 0.02 0.64 -0.72 0.18 0.02 0.00 0.00 177.57 177.71 3at1 n LEU 304 N -3.83 1.35 -3.97 2.57 4.77 -0.11 0.03 117.00 117.81 3at1 n LEU 304 Ca -0.04 -0.54 -0.31 0.00 -0.03 0.00 0.00 56.01 55.09 3at1 n LEU 304 Cb 0.70 -0.03 -0.16 0.00 -2.33 0.00 0.00 43.42 41.61 3at1 n LEU 304 CO 0.48 0.28 -0.44 0.20 -1.33 0.00 0.00 177.39 176.59 3at1 s ASN 305 N -2.77 3.81 0.12 -1.43 0.01 -0.17 -4.98 114.94 109.52 3at1 s ASN 305 Ca 0.13 -1.13 -0.18 0.00 -0.71 0.00 0.00 52.86 50.97 3at1 s ASN 305 Cb 0.17 -1.23 0.01 0.00 0.41 0.00 0.00 41.25 40.61 3at1 s ASN 305 CO 0.72 -0.21 1.00 0.54 -1.51 0.00 0.00 177.10 177.65 3at1 n ARG 306 N 4.65 -0.25 -3.65 -0.60 5.12 -1.26 -3.69 116.66 116.98 3at1 n ARG 306 Ca -0.13 0.98 -0.29 0.00 -1.93 0.00 0.00 57.85 56.48 3at1 n ARG 306 Cb 0.44 -1.45 -0.15 0.00 -1.16 0.00 0.00 32.46 30.15 3at1 n ARG 306 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 3at1 s ASP 307 N -5.30 3.79 -0.15 0.55 1.01 -1.26 0.13 116.67 115.44 3at1 s ASP 307 Ca -0.08 -1.60 -0.25 0.00 0.71 0.00 0.00 52.55 51.32 3at1 s ASP 307 Cb 0.09 -0.68 -0.02 0.00 1.01 0.00 0.00 42.92 43.32 3at1 s ASP 307 CO 0.42 -0.41 0.82 -0.76 0.21 0.00 0.00 175.17 175.44 3at1 s LEU 308 N 1.68 4.20 -0.43 1.23 1.43 -1.24 -5.03 118.68 120.52 3at1 s LEU 308 Ca 0.10 1.19 -0.16 0.00 -1.03 0.00 0.00 54.13 54.23 3at1 s LEU 308 Cb -0.18 -3.22 0.03 0.00 0.03 0.00 0.00 46.19 42.85 3at1 s LEU 308 CO -0.26 -0.36 0.39 0.68 0.23 0.00 0.00 176.35 177.03 3at1 s VAL 309 N 1.93 5.16 0.00 -1.59 -7.23 -1.26 -5.13 120.40 112.28 3at1 s VAL 309 Ca 0.38 -0.57 0.00 0.00 -1.81 0.00 0.00 61.98 59.99 3at1 s VAL 309 Cb -0.17 -4.02 0.00 0.00 0.56 0.00 0.00 36.38 32.75 3at1 s VAL 309 CO 0.14 -0.42 0.00 0.00 -0.31 0.00 0.00 175.10 174.50