#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1raa s ASN 2 N 0.00 4.84 0.35 0.00 2.20 0.23 -4.90 114.94 117.65 1raa s ASN 2 Ca 0.00 1.91 0.10 0.00 -0.94 0.00 0.00 52.86 53.93 1raa s ASN 2 Cb 0.00 -2.54 0.86 0.00 -2.00 0.00 0.00 41.25 37.57 1raa s ASN 2 CO 0.00 -1.81 1.81 -0.65 -2.94 0.00 0.00 177.10 173.51 1raa h PRO 3 N -0.51 0.63 -0.12 3.55 0.11 -1.94 -2.31 132.00 131.40 1raa h PRO 3 Ca -0.45 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1raa h PRO 3 Cb 1.24 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1raa h PRO 3 CO 0.53 0.42 0.00 1.28 -0.21 0.00 0.00 178.00 180.01 1raa n LEU 4 N -4.65 2.45 -4.68 2.35 4.77 -1.26 -4.89 117.00 111.09 1raa n LEU 4 Ca 0.21 -0.91 -0.45 0.00 -0.03 0.00 0.00 56.01 54.83 1raa n LEU 4 Cb 0.60 -0.07 -0.04 0.00 -2.33 0.00 0.00 43.42 41.58 1raa n LEU 4 CO 0.25 0.45 1.44 0.00 -1.33 0.00 0.00 177.39 178.21 1raa n TYR 5 N 0.88 2.42 -1.09 -1.77 9.36 -0.87 -1.80 117.16 124.28 1raa n TYR 5 Ca 0.17 -0.04 -0.03 0.00 3.32 0.00 0.00 57.90 61.32 1raa n TYR 5 Cb 0.49 -2.68 -0.01 0.00 -0.63 0.00 0.00 39.34 36.51 1raa n TYR 5 CO 0.00 0.00 0.00 1.04 0.22 0.00 0.00 176.86 178.12 1raa n GLN 6 N 5.81 -1.08 -2.96 2.98 6.02 -0.35 -4.97 117.38 122.84 1raa n GLN 6 Ca 0.20 0.45 -0.31 0.00 -0.01 0.00 0.00 57.00 57.33 1raa n GLN 6 Cb 0.33 -4.36 -0.04 0.00 1.02 0.00 0.00 30.24 27.19 1raa n GLN 6 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1raa s LYS 7 N -1.63 3.87 0.03 -1.09 1.02 -0.75 -4.69 119.74 116.50 1raa s LYS 7 Ca 0.00 0.55 -0.21 0.00 0.02 0.00 0.00 55.97 56.33 1raa s LYS 7 Cb 0.00 -2.40 -0.06 0.00 -0.52 0.00 0.00 37.83 34.85 1raa s LYS 7 CO 0.00 0.03 0.61 -1.01 -0.92 0.00 0.00 175.35 174.07 1raa s HIS 8 N -2.23 3.74 -0.67 3.18 3.76 -1.26 -4.71 115.29 117.10 1raa s HIS 8 Ca 0.52 1.27 -0.02 0.00 -0.15 0.00 0.00 55.06 56.68 1raa s HIS 8 Cb -0.10 -2.61 0.17 0.00 1.11 0.00 0.00 32.58 31.15 1raa s HIS 8 CO 0.26 0.42 0.49 0.42 -0.85 0.00 0.00 174.74 175.48 1raa s ILE 9 N -0.49 3.74 -0.12 0.60 -1.09 -1.01 -4.88 121.20 117.94 1raa s ILE 9 Ca 0.31 -3.17 0.04 0.00 -2.23 0.00 0.00 60.65 55.60 1raa s ILE 9 Cb -0.19 -3.42 -0.10 0.00 -1.58 0.00 0.00 42.46 37.17 1raa s ILE 9 CO 0.19 -0.91 -0.06 -0.38 -1.23 0.00 0.00 174.94 172.55 1raa n ILE 10 N 3.22 0.73 -3.95 2.92 5.41 -1.26 -1.77 119.36 124.66 1raa n ILE 10 Ca 0.10 -0.34 -0.10 0.00 1.00 0.00 0.00 62.75 63.41 1raa n ILE 10 Cb 0.37 -0.87 -0.11 0.00 -0.71 0.00 0.00 39.64 38.32 1raa n ILE 10 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 176.55 176.00 1raa s SER 11 N -4.86 0.18 0.49 4.38 0.15 -1.26 -4.65 113.70 108.13 1raa s SER 11 Ca -0.13 -0.40 0.17 0.00 0.70 0.00 0.00 55.95 56.29 1raa s SER 11 Cb 0.04 0.11 1.20 0.00 -1.71 0.00 0.00 66.02 65.65 1raa s SER 11 CO 0.35 -0.28 2.08 0.40 1.20 0.00 0.00 173.24 176.99 1raa h ILE 12 N 4.65 1.00 -0.13 6.45 1.08 -1.94 -2.69 117.51 125.93 1raa h ILE 12 Ca -0.31 -0.34 -0.03 0.00 -0.39 0.00 0.00 64.86 63.79 1raa h ILE 12 Cb 1.21 1.19 -0.01 0.00 -3.07 0.00 0.00 36.82 36.14 1raa h ILE 12 CO 0.42 0.09 -0.05 -1.13 -0.69 0.00 0.00 178.15 176.80 1raa h ASN 13 N 0.00 0.17 0.54 1.72 -0.73 -1.97 -1.36 115.58 113.96 1raa h ASN 13 Ca -0.00 -0.02 0.00 0.00 1.87 0.00 0.00 56.30 58.15 1raa h ASN 13 Cb 0.18 -0.04 0.00 0.00 0.27 0.00 0.00 38.32 38.72 1raa h ASN 13 CO 0.01 0.25 0.00 0.47 -0.37 0.00 0.00 177.43 177.80 1raa n ASP 14 N -4.38 0.00 -4.42 1.15 8.00 -1.01 -4.87 116.55 111.02 1raa n ASP 14 Ca -0.01 -0.15 -0.33 0.00 0.71 0.00 0.00 54.79 55.01 1raa n ASP 14 Cb 0.19 -0.28 -0.14 0.00 -0.02 0.00 0.00 41.12 40.87 1raa n ASP 14 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1raa s LEU 15 N -2.56 2.76 0.88 0.64 1.43 -0.51 -5.02 118.68 116.30 1raa s LEU 15 Ca 0.28 -0.26 -0.13 0.00 -1.03 0.00 0.00 54.13 52.99 1raa s LEU 15 Cb 0.20 -1.60 0.13 0.00 0.03 0.00 0.00 46.19 44.95 1raa s LEU 15 CO 0.45 0.24 1.20 -0.94 0.23 0.00 0.00 176.35 177.53 1raa s SER 16 N -0.11 3.85 0.21 2.29 1.04 -1.26 -4.83 113.70 114.89 1raa s SER 16 Ca -0.01 0.69 -0.10 0.00 0.48 0.00 0.00 55.95 57.01 1raa s SER 16 Cb -0.14 -1.08 0.17 0.00 0.10 0.00 0.00 66.02 65.07 1raa s SER 16 CO 0.03 -2.31 1.88 -0.09 0.98 0.00 0.00 173.24 173.74 1raa h ARG 17 N -1.34 1.02 -0.38 4.02 2.43 -1.98 -1.68 114.38 116.47 1raa h ARG 17 Ca -0.46 -0.06 -0.04 0.00 -0.81 0.00 0.00 59.98 58.61 1raa h ARG 17 Cb 1.31 -0.23 -0.02 0.00 -0.42 0.00 0.00 29.97 30.61 1raa h ARG 17 CO 0.57 0.67 0.09 -0.44 -1.51 0.00 0.00 179.97 179.35 1raa h ASP 18 N 1.05 0.58 -0.44 -3.80 3.32 -1.98 -1.03 116.42 114.13 1raa h ASP 18 Ca 0.29 -0.24 0.03 0.00 0.02 0.00 0.00 57.03 57.13 1raa h ASP 18 Cb -0.11 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 39.26 1raa h ASP 18 CO -0.07 0.67 0.23 0.44 -1.72 0.00 0.00 179.24 178.79 1raa h ASP 19 N 0.47 0.35 -0.50 6.45 3.32 -1.70 -1.04 116.42 123.77 1raa h ASP 19 Ca 0.12 0.02 0.01 0.00 0.02 0.00 0.00 57.03 57.19 1raa h ASP 19 Cb 0.32 -0.05 -0.03 0.00 0.22 0.00 0.00 39.33 39.79 1raa h ASP 19 CO 0.00 0.25 0.33 -0.07 -1.72 0.00 0.00 179.24 178.04 1raa h LEU 20 N 0.47 0.56 -0.38 1.55 3.38 -1.01 -1.05 115.31 118.83 1raa h LEU 20 Ca 0.18 -0.01 -0.19 0.00 0.09 0.00 0.00 57.88 57.96 1raa h LEU 20 Cb 0.07 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 1raa h LEU 20 CO -0.12 0.40 -0.78 0.78 0.09 0.00 0.00 178.44 178.81 1raa h ASN 21 N 0.66 0.35 -0.43 -0.43 2.35 0.00 -2.21 115.58 115.87 1raa h ASN 21 Ca 0.19 -0.25 -0.10 0.00 -0.55 0.00 0.00 56.30 55.59 1raa h ASN 21 Cb -0.05 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.20 1raa h ASN 21 CO -0.04 1.00 -0.11 0.25 -1.65 0.00 0.00 177.43 176.88 1raa h LEU 22 N 0.18 0.84 -0.39 1.61 5.85 -0.17 0.26 115.31 123.49 1raa h LEU 22 Ca -0.04 -0.36 -0.02 0.00 0.84 0.00 0.00 57.88 58.30 1raa h LEU 22 Cb 1.37 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 42.15 1raa h LEU 22 CO 0.13 1.01 0.18 0.58 -0.34 0.00 0.00 178.44 180.00 1raa h VAL 23 N 0.67 1.18 -0.14 1.05 2.07 -1.12 -1.31 116.25 118.65 1raa h VAL 23 Ca 0.11 -0.52 -0.07 0.00 0.82 0.00 0.00 66.70 67.04 1raa h VAL 23 Cb 0.64 0.80 -0.01 0.00 -1.52 0.00 0.00 31.29 31.20 1raa h VAL 23 CO 0.04 0.19 -0.25 -0.07 0.02 0.00 0.00 177.57 177.51 1raa h LEU 24 N 0.49 0.24 0.05 2.57 4.07 -0.97 0.03 115.31 121.79 1raa h LEU 24 Ca 0.13 -0.07 -0.00 0.00 0.08 0.00 0.00 57.88 58.02 1raa h LEU 24 Cb 0.14 -0.07 0.00 0.00 1.08 0.00 0.00 40.66 41.81 1raa h LEU 24 CO -0.02 0.50 -0.02 0.00 -1.08 0.00 0.00 178.44 177.82 1raa h ALA 25 N 1.52 -0.07 -0.45 1.53 0.00 -0.35 -2.93 119.26 118.52 1raa h ALA 25 Ca 0.04 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 54.78 1raa h ALA 25 Cb 0.56 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 1raa h ALA 25 CO 0.04 -0.35 0.27 1.15 0.00 0.00 0.00 179.25 180.36 1raa h THR 26 N -0.44 1.04 -0.50 0.00 2.02 -0.68 -2.70 112.91 111.66 1raa h THR 26 Ca -0.01 -0.18 0.01 0.00 0.77 0.00 0.00 66.41 67.00 1raa h THR 26 Cb 0.40 0.46 -0.02 0.00 -1.74 0.00 0.00 68.15 67.25 1raa h THR 26 CO 0.01 0.10 0.33 0.00 0.37 0.00 0.00 175.52 176.33 1raa h ALA 27 N 1.20 1.66 -0.36 6.16 0.00 -1.05 0.59 119.26 127.45 1raa h ALA 27 Ca 0.18 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.97 1raa h ALA 27 Cb 0.02 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 1raa h ALA 27 CO -0.08 0.31 -0.12 0.00 0.00 0.00 0.00 179.25 179.36 1raa h ALA 28 N 1.69 1.10 -0.22 0.00 0.00 -1.29 -0.79 119.26 119.76 1raa h ALA 28 Ca 0.18 -0.30 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 1raa h ALA 28 Cb -0.06 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1raa h ALA 28 CO -0.04 0.56 -0.05 0.87 0.00 0.00 0.00 179.25 180.58 1raa h LYS 29 N 0.59 0.43 -0.21 0.00 1.57 -0.71 -1.82 116.57 116.41 1raa h LYS 29 Ca 0.10 -0.16 -0.07 0.00 -1.87 0.00 0.00 60.65 58.65 1raa h LYS 29 Cb 0.56 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.83 1raa h LYS 29 CO 0.03 0.67 -0.17 -0.07 -0.57 0.00 0.00 179.45 179.34 1raa h LEU 30 N 0.16 0.34 0.17 2.94 3.38 -1.06 0.22 115.31 121.47 1raa h LEU 30 Ca 0.06 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 1raa h LEU 30 Cb 0.51 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1raa h LEU 30 CO 0.02 0.53 -0.08 0.50 0.09 0.00 0.00 178.44 179.50 1raa h LYS 31 N 0.32 -0.22 -0.56 1.13 3.64 -1.07 -3.29 116.57 116.52 1raa h LYS 31 Ca 0.06 0.02 -0.08 0.00 -1.27 0.00 0.00 60.65 59.38 1raa h LYS 31 Cb 0.49 0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.34 1raa h LYS 31 CO 0.03 -0.02 0.05 0.00 -2.27 0.00 0.00 179.45 177.24 1raa h ALA 32 N 0.41 0.74 -2.84 5.00 0.00 -0.94 -3.41 119.26 118.21 1raa h ALA 32 Ca -0.02 -0.27 -0.57 0.00 0.00 0.00 0.00 54.91 54.04 1raa h ALA 32 Cb 0.31 -0.21 -0.40 0.00 0.00 0.00 0.00 17.79 17.49 1raa h ALA 32 CO 0.04 0.53 -0.79 -0.80 0.00 0.00 0.00 179.25 178.23 1raa s ASN 33 N -6.39 3.49 0.33 0.00 0.01 0.75 -5.10 114.94 108.04 1raa s ASN 33 Ca -0.12 -1.90 -0.29 0.00 -0.71 0.00 0.00 52.86 49.84 1raa s ASN 33 Cb 0.12 -0.61 -0.11 0.00 0.41 0.00 0.00 41.25 41.07 1raa s ASN 33 CO 0.83 -0.36 1.47 -2.84 -1.51 0.00 0.00 177.10 174.69 1raa s PRO 34 N 1.34 4.18 -0.66 -0.60 0.02 -1.24 -4.38 135.00 133.66 1raa s PRO 34 Ca 0.14 2.47 0.05 0.00 0.02 0.00 0.00 61.00 63.68 1raa s PRO 34 Cb -0.20 -3.02 0.19 0.00 0.02 0.00 0.00 34.50 31.50 1raa s PRO 34 CO -0.15 -0.47 0.56 1.04 -0.33 0.00 0.00 177.00 177.64 1raa n GLN 35 N 1.11 1.89 0.00 5.54 6.02 -1.26 -5.00 117.38 125.68 1raa n GLN 35 Ca 0.03 -4.42 0.03 0.00 -0.01 0.00 0.00 57.00 52.63 1raa n GLN 35 Cb 0.39 -2.21 0.18 0.00 1.02 0.00 0.00 30.24 29.63 1raa n GLN 35 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 1raa n PRO 36 N 1.68 0.24 -0.72 -1.09 -0.04 -1.26 -2.42 135.00 131.39 1raa n PRO 36 Ca 0.24 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.74 1raa n PRO 36 Cb 0.38 -1.39 0.07 0.00 -0.04 0.00 0.00 33.50 32.52 1raa n PRO 36 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1raa n GLU 37 N -0.89 0.52 -0.25 0.54 1.02 -1.26 -3.11 120.64 117.21 1raa n GLU 37 Ca 0.04 -1.99 -0.05 0.00 -0.02 0.00 0.00 57.16 55.14 1raa n GLU 37 Cb 0.02 -0.74 0.09 0.00 -0.02 0.00 0.00 31.44 30.80 1raa n GLU 37 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1raa h LEU 38 N 0.46 1.03 -3.34 -4.62 5.85 -1.42 -3.07 115.31 110.20 1raa h LEU 38 Ca -0.07 -0.17 -0.23 0.00 0.84 0.00 0.00 57.88 58.25 1raa h LEU 38 Cb 1.40 -0.27 -0.16 0.00 0.37 0.00 0.00 40.66 42.01 1raa h LEU 38 CO 0.03 0.94 -0.40 0.18 -0.34 0.00 0.00 178.44 178.84 1raa n LEU 39 N -4.27 3.93 -4.74 2.25 4.77 0.91 -5.00 117.00 114.85 1raa n LEU 39 Ca 0.06 -4.11 -0.42 0.00 -0.03 0.00 0.00 56.01 51.51 1raa n LEU 39 Cb 0.20 -0.53 -0.01 0.00 -2.33 0.00 0.00 43.42 40.75 1raa n LEU 39 CO 0.41 1.56 1.18 1.17 -1.33 0.00 0.00 177.39 180.37 1raa n LYS 40 N -1.01 2.60 -0.98 3.23 4.81 -1.16 -1.36 118.16 124.29 1raa n LYS 40 Ca 0.32 0.92 0.00 0.00 -0.87 0.00 0.00 58.31 58.68 1raa n LYS 40 Cb 0.86 -2.67 0.00 0.00 0.02 0.00 0.00 35.03 33.25 1raa n LYS 40 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 1raa n HIS 41 N 1.63 0.00 -3.74 5.64 8.25 -1.26 -4.99 115.22 120.76 1raa n HIS 41 Ca 0.07 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.18 1raa n HIS 41 Cb 0.37 -0.17 -0.05 0.00 1.12 0.00 0.00 29.99 31.25 1raa n HIS 41 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 1raa s LYS 42 N -0.15 3.60 -0.18 -0.41 3.01 -0.46 -4.99 119.74 120.17 1raa s LYS 42 Ca 0.00 -0.04 -0.00 0.00 -1.01 0.00 0.00 55.97 54.92 1raa s LYS 42 Cb 0.00 -3.08 0.01 0.00 -1.01 0.00 0.00 37.83 33.74 1raa s LYS 42 CO 0.00 0.65 -0.15 0.08 0.51 0.00 0.00 175.35 176.44 1raa s VAL 43 N -1.29 2.60 0.02 3.17 1.01 -1.26 -1.17 120.40 123.47 1raa s VAL 43 Ca 0.27 -0.77 -0.00 0.00 0.00 0.00 0.00 61.98 61.48 1raa s VAL 43 Cb -0.13 -2.12 -0.04 0.00 0.00 0.00 0.00 36.38 34.09 1raa s VAL 43 CO 0.16 0.50 0.12 -0.63 0.00 0.00 0.00 175.10 175.25 1raa s ILE 44 N 1.16 4.95 -0.22 2.22 1.09 -0.49 -1.05 121.20 128.86 1raa s ILE 44 Ca 0.01 -0.42 -0.09 0.00 -1.10 0.00 0.00 60.65 59.06 1raa s ILE 44 Cb -0.14 -3.32 -0.04 0.00 -1.06 0.00 0.00 42.46 37.90 1raa s ILE 44 CO -0.06 0.27 0.10 0.00 -0.10 0.00 0.00 174.94 175.16 1raa s ALA 45 N -1.31 3.44 -0.88 9.38 0.00 -0.89 -1.75 121.76 129.76 1raa s ALA 45 Ca 0.27 -0.88 -0.07 0.00 0.00 0.00 0.00 51.96 51.28 1raa s ALA 45 Cb -0.12 -2.12 0.22 0.00 0.00 0.00 0.00 23.12 21.10 1raa s ALA 45 CO 0.18 -0.10 0.79 0.45 0.00 0.00 0.00 175.76 177.08 1raa s SER 46 N 0.89 6.36 -1.02 0.00 0.15 -0.35 -1.63 113.70 118.11 1raa s SER 46 Ca 0.05 -3.25 -0.18 0.00 0.70 0.00 0.00 55.95 53.27 1raa s SER 46 Cb -0.13 -2.05 0.13 0.00 -1.71 0.00 0.00 66.02 62.26 1raa s SER 46 CO 0.03 -0.35 1.25 0.00 1.20 0.00 0.00 173.24 175.38 1raa s PHE 48 N 2.68 3.43 -0.50 0.00 0.40 0.15 -2.38 117.98 121.75 1raa s PHE 48 Ca 0.37 -1.61 0.22 0.00 -0.60 0.00 0.00 56.93 55.31 1raa s PHE 48 Cb -0.04 -3.98 0.95 0.00 0.51 0.00 0.00 43.02 40.47 1raa s PHE 48 CO -0.07 -1.18 1.66 1.19 0.70 0.00 0.00 175.22 177.53 1raa n PHE 49 N 5.16 0.70 -4.44 0.36 3.72 0.35 -1.61 117.46 121.70 1raa n PHE 49 Ca 0.11 0.29 -0.24 0.00 -0.05 0.00 0.00 57.45 57.56 1raa n PHE 49 Cb 0.46 -0.97 -0.17 0.00 -0.94 0.00 0.00 39.48 37.87 1raa n PHE 49 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 176.76 174.71 1raa s GLU 50 N -3.31 1.47 0.23 -1.08 2.12 -1.12 -4.34 118.70 112.68 1raa s GLU 50 Ca 0.03 -0.33 -0.30 0.00 0.36 0.00 0.00 54.97 54.74 1raa s GLU 50 Cb 0.09 -1.27 -0.09 0.00 0.26 0.00 0.00 34.13 33.11 1raa s GLU 50 CO 0.34 -0.02 0.93 0.00 -0.54 0.00 0.00 175.26 175.97 1raa s ALA 51 N 0.78 3.34 -0.42 6.30 0.00 -1.26 -4.82 121.76 125.68 1raa s ALA 51 Ca -0.13 0.60 0.07 0.00 0.00 0.00 0.00 51.96 52.51 1raa s ALA 51 Cb -0.15 -3.20 0.18 0.00 0.00 0.00 0.00 23.12 19.95 1raa s ALA 51 CO 0.02 0.21 0.62 0.45 0.00 0.00 0.00 175.76 177.06 1raa s SER 52 N -1.15 -1.22 0.29 0.00 0.15 -1.26 -5.06 113.70 105.44 1raa s SER 52 Ca 0.41 -1.05 0.02 0.00 0.70 0.00 0.00 55.95 56.03 1raa s SER 52 Cb -0.26 1.79 0.57 0.00 -1.71 0.00 0.00 66.02 66.41 1raa s SER 52 CO 0.32 -0.16 1.84 0.74 1.20 0.00 0.00 173.24 177.17 1raa h THR 53 N 5.00 0.91 -0.57 6.45 2.02 -1.98 -1.02 112.91 123.72 1raa h THR 53 Ca 0.06 -0.34 -0.11 0.00 0.77 0.00 0.00 66.41 66.79 1raa h THR 53 Cb 1.15 -0.15 -0.02 0.00 -1.74 0.00 0.00 68.15 67.39 1raa h THR 53 CO 0.10 0.18 -0.08 -0.09 0.37 0.00 0.00 175.52 176.00 1raa h ARG 54 N 0.98 1.06 -0.08 6.66 2.43 -1.99 -0.08 114.38 123.35 1raa h ARG 54 Ca 0.50 -0.38 -0.23 0.00 -0.81 0.00 0.00 59.98 59.06 1raa h ARG 54 Cb 0.51 -0.07 0.01 0.00 -0.42 0.00 0.00 29.97 30.00 1raa h ARG 54 CO -0.27 1.07 -0.85 1.15 -1.51 0.00 0.00 179.97 179.57 1raa h THR 55 N 0.94 1.29 -0.19 0.20 2.02 -1.98 -2.88 112.91 112.32 1raa h THR 55 Ca 0.15 -2.07 -0.03 0.00 0.77 0.00 0.00 66.41 65.24 1raa h THR 55 Cb 0.65 2.18 -0.01 0.00 -1.74 0.00 0.00 68.15 69.23 1raa h THR 55 CO 0.04 0.64 -0.00 -0.09 0.37 0.00 0.00 175.52 176.49 1raa h ARG 56 N 0.42 0.34 -0.22 6.66 2.43 -0.97 -2.50 114.38 120.53 1raa h ARG 56 Ca -0.08 -0.11 -0.10 0.00 -0.81 0.00 0.00 59.98 58.88 1raa h ARG 56 Cb 1.49 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 31.00 1raa h ARG 56 CO 0.17 0.55 -0.30 -0.07 -1.51 0.00 0.00 179.97 178.81 1raa h LEU 57 N 0.09 0.45 -0.66 3.80 3.38 -1.09 -1.40 115.31 119.88 1raa h LEU 57 Ca 0.05 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.86 1raa h LEU 57 Cb 0.39 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.99 1raa h LEU 57 CO 0.01 0.73 0.42 -1.28 0.09 0.00 0.00 178.44 178.41 1raa h SER 58 N 0.38 0.78 -0.07 -0.43 0.87 -1.42 -1.77 113.55 111.90 1raa h SER 58 Ca 0.05 -0.04 -0.05 0.00 -1.23 0.00 0.00 61.79 60.52 1raa h SER 58 Cb 0.72 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 62.48 1raa h SER 58 CO 0.06 0.59 -0.14 -0.26 -0.53 0.00 0.00 176.83 176.54 1raa h PHE 59 N 0.90 0.27 -0.47 2.24 0.04 -0.97 -0.77 116.94 118.17 1raa h PHE 59 Ca 0.24 -0.10 -0.02 0.00 2.80 0.00 0.00 57.97 60.89 1raa h PHE 59 Cb -0.06 -0.05 -0.02 0.00 2.20 0.00 0.00 35.95 38.02 1raa h PHE 59 CO -0.02 0.74 0.23 0.93 -0.60 0.00 0.00 178.31 179.59 1raa h GLU 60 N -0.28 0.67 -0.95 1.51 5.08 -1.29 -0.31 114.58 119.01 1raa h GLU 60 Ca 0.00 -0.10 0.05 0.00 -1.00 0.00 0.00 59.36 58.31 1raa h GLU 60 Cb 0.73 -0.12 -0.06 0.00 0.50 0.00 0.00 28.75 29.80 1raa h GLU 60 CO 0.03 0.56 0.61 1.15 -1.00 0.00 0.00 179.01 180.37 1raa h THR 61 N 0.61 1.12 -0.37 1.13 2.02 -1.30 0.92 112.91 117.04 1raa h THR 61 Ca 0.16 -0.40 0.05 0.00 0.77 0.00 0.00 66.41 66.99 1raa h THR 61 Cb 0.11 -0.13 -0.04 0.00 -1.74 0.00 0.00 68.15 66.34 1raa h THR 61 CO -0.02 0.21 0.11 0.28 0.37 0.00 0.00 175.52 176.47 1raa h SER 62 N 1.16 0.09 -0.23 4.18 0.02 -0.48 -0.27 113.55 118.02 1raa h SER 62 Ca 0.39 0.05 0.05 0.00 -0.84 0.00 0.00 61.79 61.44 1raa h SER 62 Cb 0.07 0.05 -0.05 0.00 0.14 0.00 0.00 62.40 62.61 1raa h SER 62 CO -0.14 0.09 -0.08 0.24 -1.14 0.00 0.00 176.83 175.79 1raa h MET 63 N 0.25 -0.04 0.00 3.45 2.07 -0.26 -2.71 114.93 117.70 1raa h MET 63 Ca 0.17 0.00 -0.11 0.00 -2.07 0.00 0.00 59.70 57.70 1raa h MET 63 Cb 0.17 0.01 -0.02 0.00 -1.87 0.00 0.00 31.60 29.90 1raa h MET 63 CO -0.20 -0.03 -0.53 0.45 1.07 0.00 0.00 176.91 177.68 1raa h HIS 64 N -0.04 0.00 0.00 -0.22 3.86 -0.36 -1.38 115.15 117.01 1raa h HIS 64 Ca 0.12 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.33 1raa h HIS 64 Cb 0.22 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.69 1raa h HIS 64 CO -0.26 0.53 0.00 -0.09 0.86 0.00 0.00 177.93 178.97 1raa h ARG 65 N 0.00 0.00 -0.44 2.45 9.65 -0.75 -0.72 114.38 124.57 1raa h ARG 65 Ca -0.01 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.87 1raa h ARG 65 Cb 1.01 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.59 1raa h ARG 65 CO 0.07 0.00 0.00 1.28 2.80 0.00 0.00 179.97 184.12 1raa n LEU 66 N -2.89 3.49 0.00 3.80 4.77 -1.03 -4.10 117.00 121.04 1raa n LEU 66 Ca 0.01 -2.21 0.00 0.00 -0.03 0.00 0.00 56.01 53.79 1raa n LEU 66 Cb 0.31 -0.37 0.00 0.00 -2.33 0.00 0.00 43.42 41.03 1raa n LEU 66 CO 0.26 0.78 0.00 0.61 -1.33 0.00 0.00 177.39 177.71 1raa n GLY 67 N 0.64 0.60 3.86 -0.72 0.00 -0.28 -0.06 105.19 109.24 1raa n GLY 67 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 1raa n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1raa s ALA 68 N -2.32 2.96 0.51 4.61 0.00 -0.55 -4.09 121.76 122.89 1raa s ALA 68 Ca 0.00 -0.11 -0.03 0.00 0.00 0.00 0.00 51.96 51.82 1raa s ALA 68 Cb 0.00 -3.09 -0.00 0.00 0.00 0.00 0.00 23.12 20.03 1raa s ALA 68 CO 0.00 -0.90 0.78 -1.12 0.00 0.00 0.00 175.76 174.52 1raa s SER 69 N -4.14 5.79 -0.03 0.00 0.01 -0.32 -4.29 113.70 110.72 1raa s SER 69 Ca 0.56 0.53 -0.01 0.00 1.31 0.00 0.00 55.95 58.35 1raa s SER 69 Cb -0.12 -1.69 0.03 0.00 0.21 0.00 0.00 66.02 64.45 1raa s SER 69 CO 0.54 -0.83 0.05 -0.69 0.41 0.00 0.00 173.24 172.72 1raa s VAL 70 N -2.75 -0.05 0.11 3.43 1.01 -1.26 -1.40 120.40 119.50 1raa s VAL 70 Ca 0.50 0.17 0.06 0.00 0.00 0.00 0.00 61.98 62.71 1raa s VAL 70 Cb -0.10 -0.11 -0.04 0.00 0.00 0.00 0.00 36.38 36.14 1raa s VAL 70 CO 0.42 0.07 -0.15 0.68 0.00 0.00 0.00 175.10 176.12 1raa s VAL 71 N 0.88 1.35 -2.39 2.92 -7.23 -0.72 -4.97 120.40 110.25 1raa s VAL 71 Ca -0.07 -1.64 0.00 0.00 -1.81 0.00 0.00 61.98 58.46 1raa s VAL 71 Cb -0.10 -1.47 0.00 0.00 0.56 0.00 0.00 36.38 35.37 1raa s VAL 71 CO -0.03 -0.35 0.00 0.61 -0.31 0.00 0.00 175.10 175.02 1raa n GLY 72 N 0.70 -0.59 3.72 2.32 0.00 -1.26 -1.21 105.19 108.87 1raa n GLY 72 Ca -0.17 -0.68 -0.02 0.00 0.00 0.00 0.00 46.02 45.15 1raa n GLY 72 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1raa s PHE 73 N -3.48 -0.10 0.01 1.61 -0.12 -0.09 -4.91 117.98 110.90 1raa s PHE 73 Ca 0.00 -0.15 0.03 0.00 -0.05 0.00 0.00 56.93 56.76 1raa s PHE 73 Cb 0.00 0.62 -0.01 0.00 -0.63 0.00 0.00 43.02 42.99 1raa s PHE 73 CO 0.00 -0.68 -0.10 0.45 -0.05 0.00 0.00 175.22 174.84 1raa s SER 74 N -2.96 1.20 -0.28 1.98 0.15 -1.26 -0.68 113.70 111.85 1raa s SER 74 Ca 0.13 -0.29 -0.00 0.00 0.70 0.00 0.00 55.95 56.48 1raa s SER 74 Cb 0.00 -0.10 0.09 0.00 -1.71 0.00 0.00 66.02 64.30 1raa s SER 74 CO 0.01 0.05 0.05 -0.62 1.20 0.00 0.00 173.24 173.93 1raa s ASP 75 N -0.64 3.94 -0.13 5.45 2.15 -0.63 -4.92 116.67 121.89 1raa s ASP 75 Ca 0.01 -1.51 -0.01 0.00 0.43 0.00 0.00 52.55 51.47 1raa s ASP 75 Cb -0.05 -0.99 -0.02 0.00 -0.30 0.00 0.00 42.92 41.55 1raa s ASP 75 CO 0.00 -0.36 -0.10 -0.44 -0.17 0.00 0.00 175.17 174.10 1raa s SER 76 N 1.51 4.31 -0.22 -0.34 0.01 -1.26 -4.46 113.70 113.25 1raa s SER 76 Ca 0.05 -0.24 -0.03 0.00 1.31 0.00 0.00 55.95 57.04 1raa s SER 76 Cb -0.18 -1.63 0.00 0.00 0.21 0.00 0.00 66.02 64.43 1raa s SER 76 CO -0.17 0.18 0.14 0.00 0.41 0.00 0.00 173.24 173.81 1raa n ALA 77 N 3.43 -1.40 -3.00 1.44 0.00 -1.26 -4.78 120.51 114.95 1raa n ALA 77 Ca -0.18 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.17 1raa n ALA 77 Cb 0.53 -0.31 0.00 0.00 0.00 0.00 0.00 19.45 19.66 1raa n ALA 77 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1raa n ASN 78 N -0.05 0.00 0.00 0.00 3.02 -1.26 -5.15 115.26 111.82 1raa n ASN 78 Ca -0.06 -0.11 0.00 0.00 -0.03 0.00 0.00 54.58 54.39 1raa n ASN 78 Cb 0.15 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.32 1raa n ASN 78 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1raa n THR 79 N 0.00 0.00 0.00 3.41 -2.24 -1.26 -4.87 114.28 109.32 1raa n THR 79 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1raa n THR 79 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 1raa n THR 79 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1raa n SER 80 N 0.16 0.00 -4.82 3.42 7.64 -1.26 -4.88 113.62 113.88 1raa n SER 80 Ca 0.00 0.00 -0.35 0.00 1.01 0.00 0.00 58.87 59.53 1raa n SER 80 Cb 0.00 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.14 1raa n SER 80 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1raa s LEU 81 N 0.00 4.26 0.00 -3.43 2.01 -1.26 -2.15 118.68 118.11 1raa s LEU 81 Ca 0.00 1.41 0.00 0.00 0.01 0.00 0.00 54.13 55.55 1raa s LEU 81 Cb 0.00 -3.76 0.00 0.00 0.01 0.00 0.00 46.19 42.44 1raa s LEU 81 CO 0.00 -0.04 0.00 0.61 1.01 0.00 0.00 176.35 177.93 1raa n GLY 82 N 0.40 1.93 0.00 -3.19 0.00 -1.26 -4.97 105.19 98.10 1raa n GLY 82 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1raa n GLY 82 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1raa n LYS 83 N -2.00 0.00 -0.12 1.61 4.81 -0.91 -4.49 118.16 117.06 1raa n LYS 83 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1raa n LYS 83 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 1raa n LYS 83 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 1raa n LYS 84 N 0.00 0.00 0.00 1.64 4.81 -1.26 -4.91 118.16 118.44 1raa n LYS 84 Ca 0.00 0.04 0.00 0.00 -0.87 0.00 0.00 58.31 57.48 1raa n LYS 84 Cb 0.00 -0.08 0.00 0.00 0.02 0.00 0.00 35.03 34.97 1raa n LYS 84 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1raa n GLY 85 N 0.87 2.52 3.64 3.14 0.00 -1.26 -5.05 105.19 109.06 1raa n GLY 85 Ca 0.00 -0.56 -0.42 0.00 0.00 0.00 0.00 46.02 45.03 1raa n GLY 85 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1raa s GLU 86 N 0.00 3.88 0.69 1.61 -6.30 -1.26 -5.00 118.70 112.33 1raa s GLU 86 Ca 0.00 2.16 -0.12 0.00 -2.50 0.00 0.00 54.97 54.51 1raa s GLU 86 Cb 0.00 -4.12 0.01 0.00 0.00 0.00 0.00 34.13 30.02 1raa s GLU 86 CO 0.00 -1.22 1.08 0.95 0.02 0.00 0.00 175.26 176.09 1raa s THR 87 N 5.22 3.67 0.21 -1.70 -4.23 -1.26 -4.25 115.64 113.31 1raa s THR 87 Ca 0.82 0.62 -0.10 0.00 -1.18 0.00 0.00 61.69 61.86 1raa s THR 87 Cb -0.34 -3.21 0.16 0.00 1.34 0.00 0.00 72.50 70.44 1raa s THR 87 CO 0.34 -0.64 1.87 0.25 -0.54 0.00 0.00 174.62 175.90 1raa h LEU 88 N -0.52 0.80 -1.70 4.79 5.85 -1.94 -2.00 115.31 120.58 1raa h LEU 88 Ca -0.45 -0.01 0.13 0.00 0.84 0.00 0.00 57.88 58.40 1raa h LEU 88 Cb 1.22 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 42.03 1raa h LEU 88 CO 0.55 0.57 0.44 0.00 -0.34 0.00 0.00 178.44 179.65 1raa h ALA 89 N 1.30 2.18 0.00 1.25 0.00 -1.94 -0.09 119.26 121.96 1raa h ALA 89 Ca 0.29 -0.01 -0.22 0.00 0.00 0.00 0.00 54.91 54.97 1raa h ALA 89 Cb -0.04 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 1raa h ALA 89 CO -0.09 -0.35 -1.35 -0.44 0.00 0.00 0.00 179.25 177.02 1raa h ASP 90 N 0.31 0.00 0.13 0.00 3.32 -1.79 -2.28 116.42 116.11 1raa h ASP 90 Ca 0.31 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.36 1raa h ASP 90 Cb 0.79 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.34 1raa h ASP 90 CO -0.08 0.85 -0.09 0.74 -1.72 0.00 0.00 179.24 178.94 1raa h THR 91 N 0.00 0.80 0.26 0.35 2.02 -0.56 -1.57 112.91 114.21 1raa h THR 91 Ca -0.16 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.00 1raa h THR 91 Cb 1.79 0.80 0.00 0.00 -1.74 0.00 0.00 68.15 69.00 1raa h THR 91 CO 0.08 0.00 -0.13 0.40 0.37 0.00 0.00 175.52 176.25 1raa h ILE 92 N -0.23 0.79 -1.09 3.11 1.08 -1.15 0.20 117.51 120.22 1raa h ILE 92 Ca -0.01 -0.55 0.33 0.00 -0.39 0.00 0.00 64.86 64.23 1raa h ILE 92 Cb 0.20 1.09 -0.13 0.00 -3.07 0.00 0.00 36.82 34.91 1raa h ILE 92 CO -0.00 0.12 0.67 0.28 -0.69 0.00 0.00 178.15 178.52 1raa h SER 93 N -0.65 0.45 0.03 1.72 0.02 -1.37 0.36 113.55 114.12 1raa h SER 93 Ca -0.04 0.14 -0.00 0.00 -0.84 0.00 0.00 61.79 61.06 1raa h SER 93 Cb 0.46 0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.09 1raa h SER 93 CO 0.06 -0.06 -0.02 0.58 -1.14 0.00 0.00 176.83 176.25 1raa h VAL 94 N 0.31 0.22 -0.45 2.27 2.07 -0.74 -3.34 116.25 116.60 1raa h VAL 94 Ca 0.71 -1.13 0.13 0.00 0.82 0.00 0.00 66.70 67.23 1raa h VAL 94 Cb 1.79 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 31.96 1raa h VAL 94 CO -0.46 0.07 0.39 0.40 0.02 0.00 0.00 177.57 177.99 1raa h ILE 95 N -1.01 0.54 0.00 4.57 2.04 0.06 -1.66 117.51 122.05 1raa h ILE 95 Ca -0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 1raa h ILE 95 Cb 0.16 0.71 0.00 0.00 -0.74 0.00 0.00 36.82 36.94 1raa h ILE 95 CO 0.01 0.00 0.00 -1.54 0.00 0.00 0.00 178.15 176.62 1raa n SER 96 N -4.02 0.00 -0.25 1.72 3.41 0.12 -1.12 113.62 113.48 1raa n SER 96 Ca 0.08 -1.22 0.09 0.00 -0.26 0.00 0.00 58.87 57.55 1raa n SER 96 Cb 0.59 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.50 1raa n SER 96 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1raa n THR 97 N -0.80 0.00 -0.09 6.66 -2.24 -0.62 -4.53 114.28 112.65 1raa n THR 97 Ca 0.12 -0.22 -0.18 0.00 -2.27 0.00 0.00 64.05 61.50 1raa n THR 97 Cb 0.06 1.13 -0.13 0.00 -2.10 0.00 0.00 70.33 69.29 1raa n THR 97 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1raa n TYR 98 N -0.60 0.31 -4.40 4.78 4.01 -0.28 -5.06 117.16 115.92 1raa n TYR 98 Ca 0.06 0.07 -0.30 0.00 -0.16 0.00 0.00 57.90 57.57 1raa n TYR 98 Cb 0.34 -1.04 -0.06 0.00 -0.31 0.00 0.00 39.34 38.27 1raa n TYR 98 CO 0.00 0.00 0.00 0.14 -0.46 0.00 0.00 176.86 176.54 1raa s VAL 99 N -2.53 1.52 -0.10 -0.72 -7.23 -1.09 -5.00 120.40 105.24 1raa s VAL 99 Ca -0.29 -1.80 0.20 0.00 -1.81 0.00 0.00 61.98 58.28 1raa s VAL 99 Cb 0.08 -2.32 -0.29 0.00 0.56 0.00 0.00 36.38 34.41 1raa s VAL 99 CO 0.66 0.00 0.35 0.47 -0.31 0.00 0.00 175.10 176.28 1raa n ASP 100 N -1.40 0.06 -3.60 4.85 8.00 -0.21 -4.90 116.55 119.34 1raa n ASP 100 Ca -0.11 0.02 -0.13 0.00 0.71 0.00 0.00 54.79 55.28 1raa n ASP 100 Cb 0.66 1.51 -0.06 0.00 -0.02 0.00 0.00 41.12 43.22 1raa n ASP 100 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1raa s ALA 101 N -3.11 -1.23 -0.12 2.24 0.00 -1.24 -4.30 121.76 114.01 1raa s ALA 101 Ca -0.08 0.50 0.02 0.00 0.00 0.00 0.00 51.96 52.39 1raa s ALA 101 Cb 0.11 0.39 0.02 0.00 0.00 0.00 0.00 23.12 23.63 1raa s ALA 101 CO 0.87 -0.50 -0.16 0.42 0.00 0.00 0.00 175.76 176.39 1raa s ILE 102 N -2.50 1.63 -0.19 0.00 1.01 -0.54 -2.10 121.20 118.50 1raa s ILE 102 Ca -0.05 -0.71 -0.07 0.00 0.00 0.00 0.00 60.65 59.82 1raa s ILE 102 Cb -0.01 -1.48 -0.04 0.00 0.01 0.00 0.00 42.46 40.94 1raa s ILE 102 CO -0.02 0.47 0.06 -0.69 0.00 0.00 0.00 174.94 174.75 1raa s VAL 103 N 1.04 4.73 0.02 2.92 1.01 -0.64 -0.31 120.40 129.17 1raa s VAL 103 Ca -0.05 -0.05 -0.00 0.00 0.00 0.00 0.00 61.98 61.88 1raa s VAL 103 Cb -0.15 -3.14 -0.02 0.00 0.00 0.00 0.00 36.38 33.08 1raa s VAL 103 CO -0.03 0.45 -0.03 0.00 0.00 0.00 0.00 175.10 175.49 1raa s MET 104 N 0.48 0.30 -0.04 2.72 0.00 -0.21 -1.89 119.30 120.67 1raa s MET 104 Ca 0.03 -0.59 0.02 0.00 0.00 0.00 0.00 55.69 55.15 1raa s MET 104 Cb -0.13 0.11 0.01 0.00 0.00 0.00 0.00 34.83 34.82 1raa s MET 104 CO 0.01 -0.05 -0.09 0.50 0.00 0.00 0.00 175.02 175.39 1raa s ARG 105 N -1.41 1.05 0.02 3.16 3.52 -1.00 -0.30 118.95 123.99 1raa s ARG 105 Ca -0.15 -0.28 0.00 0.00 -0.13 0.00 0.00 55.73 55.17 1raa s ARG 105 Cb -0.10 -0.97 -0.02 0.00 -1.56 0.00 0.00 34.95 32.31 1raa s ARG 105 CO -0.01 0.06 -0.03 -1.58 -0.81 0.00 0.00 175.30 172.93 1raa s HIS 106 N 0.42 0.23 -0.05 5.12 2.46 -0.92 -0.49 115.29 122.06 1raa s HIS 106 Ca -0.07 -0.47 0.30 0.00 0.47 0.00 0.00 55.06 55.29 1raa s HIS 106 Cb -0.11 -0.17 1.40 0.00 -0.13 0.00 0.00 32.58 33.57 1raa s HIS 106 CO 0.01 -0.17 1.90 -1.35 -2.47 0.00 0.00 174.74 172.66 1raa h PRO 107 N 4.82 0.00 -6.36 2.88 0.11 -1.87 -2.59 132.00 128.99 1raa h PRO 107 Ca -0.31 0.00 -0.63 0.00 0.11 0.00 0.00 66.00 65.17 1raa h PRO 107 Cb 1.21 0.00 -0.12 0.00 0.11 0.00 0.00 31.00 32.20 1raa h PRO 107 CO 0.42 0.00 -0.66 -0.65 -0.21 0.00 0.00 178.00 176.90 1raa s GLN 108 N -3.62 2.46 0.20 1.05 -0.21 -1.26 -3.89 119.66 114.39 1raa s GLN 108 Ca 0.00 -0.96 -0.30 0.00 0.02 0.00 0.00 55.36 54.12 1raa s GLN 108 Cb 0.09 -2.45 -0.08 0.00 1.00 0.00 0.00 33.01 31.57 1raa s GLN 108 CO 0.39 0.50 0.99 -1.21 -2.12 0.00 0.00 175.29 173.83 1raa s GLU 109 N -2.58 4.76 0.00 2.91 8.01 -1.26 -3.38 118.70 127.15 1raa s GLU 109 Ca 0.26 1.55 0.00 0.00 0.01 0.00 0.00 54.97 56.79 1raa s GLU 109 Cb -0.11 -3.29 0.00 0.00 -4.31 0.00 0.00 34.13 26.42 1raa s GLU 109 CO 0.18 0.34 0.00 0.41 0.01 0.00 0.00 175.26 176.20 1raa n GLY 110 N 1.73 0.69 0.33 -1.39 0.00 -1.26 -4.89 105.19 100.39 1raa n GLY 110 Ca -0.00 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.04 1raa n GLY 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1raa h ALA 111 N 0.00 1.57 -0.45 4.61 0.00 -1.92 -0.21 119.26 122.87 1raa h ALA 111 Ca 0.00 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.76 1raa h ALA 111 Cb 0.00 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1raa h ALA 111 CO 0.00 0.39 -0.11 0.00 0.00 0.00 0.00 179.25 179.53 1raa h ALA 112 N 1.63 0.62 -0.33 0.00 0.00 -1.90 -1.66 119.26 117.62 1raa h ALA 112 Ca 0.21 -0.33 -0.13 0.00 0.00 0.00 0.00 54.91 54.65 1raa h ALA 112 Cb -0.07 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1raa h ALA 112 CO -0.04 0.52 -0.31 -0.09 0.00 0.00 0.00 179.25 179.32 1raa h ARG 113 N 0.71 0.72 -0.16 0.00 2.43 -1.82 -2.47 114.38 113.79 1raa h ARG 113 Ca 0.11 -0.33 0.04 0.00 -0.81 0.00 0.00 59.98 58.99 1raa h ARG 113 Cb 0.65 -0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 30.15 1raa h ARG 113 CO 0.04 0.94 -0.09 1.25 -1.51 0.00 0.00 179.97 180.61 1raa h LEU 114 N 0.61 -0.29 -0.47 3.80 5.85 -0.90 -3.08 115.31 120.83 1raa h LEU 114 Ca 0.07 0.07 0.10 0.00 0.84 0.00 0.00 57.88 58.95 1raa h LEU 114 Cb 0.83 0.16 -0.10 0.00 0.37 0.00 0.00 40.66 41.92 1raa h LEU 114 CO 0.07 -0.12 -0.22 0.00 -0.34 0.00 0.00 178.44 177.83 1raa h ALA 115 N 1.06 0.12 -1.41 1.25 0.00 -1.03 -0.57 119.26 118.67 1raa h ALA 115 Ca 0.09 0.16 0.45 0.00 0.00 0.00 0.00 54.91 55.61 1raa h ALA 115 Cb 0.22 0.54 -0.10 0.00 0.00 0.00 0.00 17.79 18.45 1raa h ALA 115 CO -0.21 -0.57 0.96 2.41 0.00 0.00 0.00 179.25 181.85 1raa n THR 116 N -5.40 -0.12 1.26 0.00 -1.04 -0.96 -0.28 114.28 107.74 1raa n THR 116 Ca 0.03 1.42 0.13 0.00 -2.04 0.00 0.00 64.05 63.60 1raa n THR 116 Cb 0.31 -2.35 0.38 0.00 -1.82 0.00 0.00 70.33 66.86 1raa n THR 116 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1raa n GLU 117 N -4.06 0.93 0.00 -2.82 1.02 -0.22 -3.70 120.64 111.78 1raa n GLU 117 Ca 0.36 -0.55 0.00 0.00 -0.02 0.00 0.00 57.16 56.95 1raa n GLU 117 Cb 1.52 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 31.45 1raa n GLU 117 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 1raa n PHE 118 N -0.55 0.00 1.84 -0.32 3.72 0.61 -4.83 117.46 117.93 1raa n PHE 118 Ca 0.13 0.00 0.03 0.00 -0.05 0.00 0.00 57.45 57.56 1raa n PHE 118 Cb 0.35 0.00 0.14 0.00 -0.94 0.00 0.00 39.48 39.03 1raa n PHE 118 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1raa n SER 119 N -1.02 0.28 0.00 4.37 3.41 -0.50 -4.17 113.62 115.99 1raa n SER 119 Ca 0.00 -1.87 0.00 0.00 -0.26 0.00 0.00 58.87 56.74 1raa n SER 119 Cb 0.00 -0.03 0.00 0.00 -0.26 0.00 0.00 64.21 63.92 1raa n SER 119 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1raa n GLY 120 N 0.65 3.58 1.41 5.00 0.00 -1.26 -1.07 105.19 113.50 1raa n GLY 120 Ca 0.05 0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1raa n GLY 120 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1raa n ASN 121 N 9.24 4.04 -4.62 1.61 4.13 -1.26 -4.93 115.26 123.46 1raa n ASN 121 Ca 0.00 -3.25 -0.42 0.00 1.68 0.00 0.00 54.58 52.59 1raa n ASN 121 Cb 0.00 -0.65 -0.05 0.00 -1.54 0.00 0.00 39.78 37.54 1raa n ASN 121 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1raa s VAL 122 N -2.98 4.84 0.33 2.41 1.01 -0.23 -5.03 120.40 120.75 1raa s VAL 122 Ca 0.48 1.28 -0.29 0.00 0.00 0.00 0.00 61.98 63.45 1raa s VAL 122 Cb 0.40 -4.10 -0.11 0.00 0.00 0.00 0.00 36.38 32.56 1raa s VAL 122 CO 0.09 -0.15 1.50 -2.84 0.00 0.00 0.00 175.10 173.70 1raa s PRO 123 N 2.85 4.15 -0.05 2.72 0.02 -1.26 -4.75 135.00 138.68 1raa s PRO 123 Ca 0.32 2.51 0.04 0.00 0.02 0.00 0.00 61.00 63.90 1raa s PRO 123 Cb -0.15 -3.01 -0.02 0.00 0.02 0.00 0.00 34.50 31.34 1raa s PRO 123 CO 0.10 -0.52 -0.18 0.14 -0.33 0.00 0.00 177.00 176.21 1raa s VAL 124 N -0.60 2.73 -0.12 3.83 -7.23 -1.26 -1.47 120.40 116.28 1raa s VAL 124 Ca 0.57 -0.84 0.02 0.00 -1.81 0.00 0.00 61.98 59.92 1raa s VAL 124 Cb -0.46 -2.05 -0.00 0.00 0.56 0.00 0.00 36.38 34.43 1raa s VAL 124 CO 0.55 0.58 -0.19 -0.76 -0.31 0.00 0.00 175.10 174.97 1raa s LEU 125 N -0.51 2.36 -0.24 1.32 1.02 0.57 -2.41 118.68 120.78 1raa s LEU 125 Ca 0.07 -0.47 -0.28 0.00 0.02 0.00 0.00 54.13 53.46 1raa s LEU 125 Cb -0.11 -1.50 0.01 0.00 0.02 0.00 0.00 46.19 44.60 1raa s LEU 125 CO 0.01 0.14 1.02 0.21 0.02 0.00 0.00 176.35 177.76 1raa s ASN 126 N 0.45 7.05 0.00 2.29 2.47 -0.73 -1.04 114.94 125.43 1raa s ASN 126 Ca -0.13 1.30 0.21 0.00 0.42 0.00 0.00 52.86 54.66 1raa s ASN 126 Cb -0.17 -2.53 0.50 0.00 -1.45 0.00 0.00 41.25 37.61 1raa s ASN 126 CO 0.06 -0.68 1.43 0.00 -3.72 0.00 0.00 177.10 174.20 1raa n ALA 127 N 6.34 2.38 0.00 1.71 0.00 0.59 -4.39 120.51 127.14 1raa n ALA 127 Ca 0.11 -1.14 0.00 0.00 0.00 0.00 0.00 53.44 52.41 1raa n ALA 127 Cb 0.46 -0.84 0.00 0.00 0.00 0.00 0.00 19.45 19.07 1raa n ALA 127 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1raa n GLY 128 N 1.45 4.75 2.73 0.00 0.00 -1.25 -4.79 105.19 108.09 1raa n GLY 128 Ca 0.21 -0.91 -0.18 0.00 0.00 0.00 0.00 46.02 45.13 1raa n GLY 128 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1raa s ASP 129 N 0.00 1.45 1.25 1.61 -4.77 -1.10 -2.18 116.67 112.93 1raa s ASP 129 Ca 0.00 -1.47 0.00 0.00 -3.30 0.00 0.00 52.55 47.78 1raa s ASP 129 Cb 0.00 0.46 0.00 0.00 -1.09 0.00 0.00 42.92 42.29 1raa s ASP 129 CO 0.00 -0.29 0.00 0.61 0.70 0.00 0.00 175.17 176.19 1raa n GLY 130 N 4.44 2.85 1.46 2.12 0.00 -0.98 -1.01 105.19 114.08 1raa n GLY 130 Ca 0.08 -0.34 0.07 0.00 0.00 0.00 0.00 46.02 45.84 1raa n GLY 130 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1raa n SER 131 N 2.92 4.31 0.00 1.61 3.41 -1.26 -4.67 113.62 119.93 1raa n SER 131 Ca 0.00 -2.48 0.00 0.00 -0.26 0.00 0.00 58.87 56.13 1raa n SER 131 Cb 0.00 -0.56 0.00 0.00 -0.26 0.00 0.00 64.21 63.39 1raa n SER 131 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1raa n ASN 132 N 0.82 0.00 -4.00 4.04 5.15 -0.18 -4.86 115.26 116.22 1raa n ASN 132 Ca 0.22 0.25 -0.09 0.00 -0.60 0.00 0.00 54.58 54.36 1raa n ASN 132 Cb 0.84 -0.47 -0.11 0.00 -0.53 0.00 0.00 39.78 39.51 1raa n ASN 132 CO 0.00 0.00 0.00 -1.58 1.40 0.00 0.00 177.26 177.08 1raa s GLN 133 N -0.95 0.37 -0.45 1.20 2.00 -1.25 -4.95 119.66 115.64 1raa s GLN 133 Ca 0.00 -0.73 0.07 0.00 -2.00 0.00 0.00 55.36 52.70 1raa s GLN 133 Cb 0.00 0.11 0.27 0.00 0.80 0.00 0.00 33.01 34.19 1raa s GLN 133 CO 0.00 -0.06 0.84 1.58 -0.50 0.00 0.00 175.29 177.15 1raa n HIS 134 N 1.32 -2.18 -0.31 1.67 -0.00 -1.26 -2.71 115.22 111.75 1raa n HIS 134 Ca -0.22 -2.48 0.11 0.00 -0.00 0.00 0.00 57.72 55.13 1raa n HIS 134 Cb 0.56 0.93 0.23 0.00 -0.00 0.00 0.00 29.99 31.71 1raa n HIS 134 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 1raa h PRO 135 N 3.66 0.05 0.00 1.57 0.11 -1.83 -2.07 132.00 133.49 1raa h PRO 135 Ca -0.06 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.05 1raa h PRO 135 Cb 1.01 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.10 1raa h PRO 135 CO 0.33 0.03 0.00 0.25 -0.21 0.00 0.00 178.00 178.41 1raa n THR 136 N -5.44 0.28 0.06 -1.15 -2.24 -1.26 -1.07 114.28 103.45 1raa n THR 136 Ca 0.19 0.07 -0.22 0.00 -2.27 0.00 0.00 64.05 61.82 1raa n THR 136 Cb 0.64 -0.66 -0.15 0.00 -2.10 0.00 0.00 70.33 68.05 1raa n THR 136 CO 0.00 0.00 0.00 -0.61 -0.57 0.00 0.00 175.07 173.89 1raa h GLN 137 N 0.00 0.36 -0.39 -0.78 5.75 -1.76 -2.98 115.11 115.31 1raa h GLN 137 Ca 0.00 -0.62 -0.05 0.00 -0.15 0.00 0.00 58.65 57.84 1raa h GLN 137 Cb 0.30 0.23 -0.02 0.00 1.07 0.00 0.00 27.48 29.06 1raa h GLN 137 CO 0.00 1.29 0.06 1.15 -2.65 0.00 0.00 178.83 178.68 1raa h THR 138 N -0.08 1.24 -1.01 2.39 2.02 -1.37 0.08 112.91 116.20 1raa h THR 138 Ca -0.29 -0.88 0.08 0.00 0.77 0.00 0.00 66.41 66.09 1raa h THR 138 Cb 1.95 1.05 -0.07 0.00 -1.74 0.00 0.00 68.15 69.34 1raa h THR 138 CO 0.15 0.30 0.65 -0.07 0.37 0.00 0.00 175.52 176.92 1raa h LEU 139 N 0.50 1.01 -0.04 2.58 3.38 -1.20 -0.25 115.31 121.28 1raa h LEU 139 Ca 0.12 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1raa h LEU 139 Cb 0.38 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.94 1raa h LEU 139 CO 0.01 0.61 0.00 0.17 0.09 0.00 0.00 178.44 179.32 1raa h LEU 140 N 1.12 0.00 -0.01 1.67 8.10 -1.31 -1.77 115.31 123.12 1raa h LEU 140 Ca 0.45 0.00 -0.03 0.00 0.11 0.00 0.00 57.88 58.42 1raa h LEU 140 Cb 0.27 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.49 1raa h LEU 140 CO -0.20 0.00 -0.10 0.44 -4.11 0.00 0.00 178.44 174.47 1raa h ASP 141 N 0.00 0.10 -0.56 0.17 3.32 0.70 -2.10 116.42 118.05 1raa h ASP 141 Ca 0.00 -0.72 0.02 0.00 0.02 0.00 0.00 57.03 56.35 1raa h ASP 141 Cb 0.91 -0.03 -0.03 0.00 0.22 0.00 0.00 39.33 40.40 1raa h ASP 141 CO 0.00 0.81 0.36 -0.07 -1.72 0.00 0.00 179.24 178.61 1raa h LEU 142 N -0.60 0.60 -0.56 1.55 3.38 -1.25 0.19 115.31 118.62 1raa h LEU 142 Ca -0.01 -0.01 0.09 0.00 0.09 0.00 0.00 57.88 58.04 1raa h LEU 142 Cb 0.81 -0.14 -0.07 0.00 0.09 0.00 0.00 40.66 41.36 1raa h LEU 142 CO 0.02 0.43 0.18 0.15 0.09 0.00 0.00 178.44 179.31 1raa h PHE 143 N 0.72 0.31 -0.10 1.13 3.57 -1.35 0.60 116.94 121.81 1raa h PHE 143 Ca 0.22 0.03 -0.11 0.00 3.53 0.00 0.00 57.97 61.64 1raa h PHE 143 Cb -0.03 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 38.65 1raa h PHE 143 CO -0.05 0.06 -0.42 1.15 -2.23 0.00 0.00 178.31 176.82 1raa h THR 144 N 0.35 1.31 -0.24 4.41 2.02 -0.58 0.88 112.91 121.06 1raa h THR 144 Ca 0.28 -1.54 -0.09 0.00 0.77 0.00 0.00 66.41 65.83 1raa h THR 144 Cb 0.36 1.71 -0.00 0.00 -1.74 0.00 0.00 68.15 68.47 1raa h THR 144 CO -0.31 0.46 -0.20 0.40 0.37 0.00 0.00 175.52 176.24 1raa h ILE 145 N 0.18 1.32 0.24 3.11 2.04 0.25 -1.48 117.51 123.17 1raa h ILE 145 Ca 0.02 -1.35 -0.01 0.00 1.00 0.00 0.00 64.86 64.51 1raa h ILE 145 Cb 0.83 1.67 0.00 0.00 -0.74 0.00 0.00 36.82 38.58 1raa h ILE 145 CO 0.06 0.42 -0.11 -0.61 0.00 0.00 0.00 178.15 177.91 1raa h GLN 146 N 0.26 -0.30 -0.28 2.37 4.15 -0.82 0.54 115.11 121.02 1raa h GLN 146 Ca 0.04 0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.47 1raa h GLN 146 Cb 0.75 0.07 -0.01 0.00 0.21 0.00 0.00 27.48 28.49 1raa h GLN 146 CO 0.05 -0.05 0.11 1.49 -1.93 0.00 0.00 178.83 178.50 1raa h GLU 147 N -0.53 0.38 0.15 1.69 4.81 -0.85 -0.89 114.58 119.34 1raa h GLU 147 Ca -0.03 -0.04 -0.34 0.00 -0.13 0.00 0.00 59.36 58.82 1raa h GLU 147 Cb 0.40 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.70 1raa h GLU 147 CO 0.05 0.33 -1.76 1.79 -0.73 0.00 0.00 179.01 178.69 1raa h THR 148 N 0.39 0.85 0.00 0.32 1.35 -1.18 -3.40 112.91 111.24 1raa h THR 148 Ca 0.10 -2.42 -0.08 0.00 -0.55 0.00 0.00 66.41 63.46 1raa h THR 148 Cb 0.09 2.65 -0.01 0.00 -1.73 0.00 0.00 68.15 69.15 1raa h THR 148 CO -0.01 0.83 -1.04 1.56 -0.25 0.00 0.00 175.52 176.61 1raa h GLN 149 N -0.02 0.00 0.00 4.72 1.08 -0.95 -3.49 115.11 116.46 1raa h GLN 149 Ca -0.36 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.84 1raa h GLN 149 Cb 1.99 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 29.42 1raa h GLN 149 CO 0.11 0.17 0.00 0.41 -0.95 0.00 0.00 178.83 178.57 1raa n GLY 150 N 1.26 1.15 3.73 3.46 0.00 -0.34 -5.02 105.19 109.44 1raa n GLY 150 Ca -0.03 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.91 1raa n GLY 150 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1raa s ARG 151 N -0.61 1.66 -0.20 1.61 1.70 -1.25 -4.99 118.95 116.86 1raa s ARG 151 Ca 0.00 -1.00 0.15 0.00 -0.47 0.00 0.00 55.73 54.40 1raa s ARG 151 Cb 0.00 0.57 0.45 0.00 -0.57 0.00 0.00 34.95 35.40 1raa s ARG 151 CO 0.00 -0.74 1.35 1.28 -1.08 0.00 0.00 175.30 176.11 1raa n LEU 152 N -0.42 3.45 -4.07 -1.89 4.77 -1.26 -4.19 117.00 113.38 1raa n LEU 152 Ca -0.05 -3.33 -0.12 0.00 -0.03 0.00 0.00 56.01 52.48 1raa n LEU 152 Cb 0.60 -0.54 -0.11 0.00 -2.33 0.00 0.00 43.42 41.04 1raa n LEU 152 CO 0.17 0.92 -0.39 -1.81 -1.33 0.00 0.00 177.39 174.94 1raa s ASP 153 N -2.47 0.81 -1.37 -1.43 1.11 -1.26 -4.52 116.67 107.53 1raa s ASP 153 Ca 0.40 -0.63 -0.08 0.00 0.18 0.00 0.00 52.55 52.42 1raa s ASP 153 Cb 0.35 0.06 0.03 0.00 1.07 0.00 0.00 42.92 44.42 1raa s ASP 153 CO 0.03 -0.27 1.04 0.59 1.18 0.00 0.00 175.17 177.74 1raa n ASN 154 N 1.21 -4.52 -4.68 0.27 3.02 0.10 -4.93 115.26 105.74 1raa n ASN 154 Ca -0.21 -0.66 -0.32 0.00 -0.03 0.00 0.00 54.58 53.37 1raa n ASN 154 Cb 0.56 -4.61 -0.09 0.00 -0.61 0.00 0.00 39.78 35.03 1raa n ASN 154 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1raa s LEU 155 N -7.06 3.46 -0.46 3.41 1.43 -1.26 -4.94 118.68 113.27 1raa s LEU 155 Ca 0.43 -0.07 -0.13 0.00 -1.03 0.00 0.00 54.13 53.33 1raa s LEU 155 Cb -0.20 -2.06 0.09 0.00 0.03 0.00 0.00 46.19 44.05 1raa s LEU 155 CO 0.77 0.25 0.35 -1.00 0.23 0.00 0.00 176.35 176.95 1raa s HIS 156 N -1.15 3.30 -0.16 0.29 3.76 -1.26 -0.08 115.29 119.99 1raa s HIS 156 Ca 0.21 -1.29 -0.02 0.00 -0.15 0.00 0.00 55.06 53.82 1raa s HIS 156 Cb -0.12 -3.20 -0.02 0.00 1.11 0.00 0.00 32.58 30.36 1raa s HIS 156 CO 0.13 -0.86 -0.08 0.08 -0.85 0.00 0.00 174.74 173.15 1raa s VAL 157 N 1.53 3.33 -0.16 -0.90 1.01 -0.00 -1.18 120.40 124.03 1raa s VAL 157 Ca 0.04 -0.54 -0.04 0.00 0.00 0.00 0.00 61.98 61.43 1raa s VAL 157 Cb -0.25 -2.45 -0.03 0.00 0.00 0.00 0.00 36.38 33.65 1raa s VAL 157 CO 0.04 0.49 -0.03 0.00 0.00 0.00 0.00 175.10 175.60 1raa s ALA 158 N 0.69 3.03 -0.15 5.51 0.00 0.04 -2.20 121.76 128.68 1raa s ALA 158 Ca -0.04 -0.82 -0.03 0.00 0.00 0.00 0.00 51.96 51.06 1raa s ALA 158 Cb -0.15 -1.59 -0.03 0.00 0.00 0.00 0.00 23.12 21.36 1raa s ALA 158 CO 0.02 0.19 -0.05 -1.64 0.00 0.00 0.00 175.76 174.28 1raa s MET 159 N 0.39 3.58 0.01 0.00 -1.94 -0.27 0.32 119.30 121.40 1raa s MET 159 Ca -0.03 -0.54 0.05 0.00 -1.71 0.00 0.00 55.69 53.46 1raa s MET 159 Cb -0.14 -2.86 -0.02 0.00 2.01 0.00 0.00 34.83 33.82 1raa s MET 159 CO 0.03 0.27 -0.16 0.08 -0.01 0.00 0.00 175.02 175.22 1raa s VAL 160 N 0.28 1.31 0.00 -6.03 1.01 0.47 -1.92 120.40 115.51 1raa s VAL 160 Ca -0.04 -0.88 0.00 0.00 0.00 0.00 0.00 61.98 61.06 1raa s VAL 160 Cb -0.14 -1.13 0.00 0.00 0.00 0.00 0.00 36.38 35.11 1raa s VAL 160 CO 0.03 0.23 0.00 0.61 0.00 0.00 0.00 175.10 175.97 1raa n GLY 161 N 2.28 0.28 3.42 4.51 0.00 -0.84 -0.93 105.19 113.92 1raa n GLY 161 Ca -0.16 -1.37 -0.45 0.00 0.00 0.00 0.00 46.02 44.05 1raa n GLY 161 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1raa s ASP 162 N -4.00 6.66 0.36 1.61 -1.08 -1.26 -4.25 116.67 114.71 1raa s ASP 162 Ca 0.00 -2.21 0.23 0.00 -0.52 0.00 0.00 52.55 50.05 1raa s ASP 162 Cb 0.00 -2.34 0.23 0.00 -1.46 0.00 0.00 42.92 39.34 1raa s ASP 162 CO 0.00 -0.93 1.43 -0.07 0.52 0.00 0.00 175.17 176.12 1raa h LEU 163 N 9.68 0.00 -0.47 -1.34 3.38 -1.56 -0.42 115.31 124.58 1raa h LEU 163 Ca 0.13 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.95 1raa h LEU 163 Cb 1.03 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.77 1raa h LEU 163 CO 1.01 0.02 -0.40 0.50 0.09 0.00 0.00 178.44 179.66 1raa h LYS 164 N 0.00 0.83 0.00 1.13 3.64 -1.40 -3.38 116.57 117.39 1raa h LYS 164 Ca -0.00 -0.44 0.00 0.00 -1.27 0.00 0.00 60.65 58.94 1raa h LYS 164 Cb 1.02 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.85 1raa h LYS 164 CO 0.00 1.08 0.00 0.66 -2.27 0.00 0.00 179.45 178.92 1raa n TYR 165 N -4.04 0.00 -1.67 1.91 4.01 -1.23 -4.83 117.16 111.31 1raa n TYR 165 Ca -0.02 0.00 -0.40 0.00 -0.16 0.00 0.00 57.90 57.32 1raa n TYR 165 Cb 0.54 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.54 1raa n TYR 165 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 1raa s GLY 166 N -0.45 0.12 0.40 2.72 0.00 -0.17 -4.82 107.32 105.12 1raa s GLY 166 Ca 0.00 0.28 0.06 0.00 0.00 0.00 0.00 44.72 45.07 1raa s GLY 166 CO 0.00 3.85 2.05 0.07 0.00 0.00 0.00 173.10 179.07 1raa h ARG 167 N 16.68 0.59 0.00 2.90 0.11 -1.89 -2.29 114.38 130.48 1raa h ARG 167 Ca -0.32 -0.04 -0.07 0.00 0.10 0.00 0.00 59.98 59.65 1raa h ARG 167 Cb 1.24 -0.13 -0.01 0.00 1.11 0.00 0.00 29.97 32.17 1raa h ARG 167 CO 1.07 0.39 -0.34 1.79 0.10 0.00 0.00 179.97 182.99 1raa h THR 168 N 0.61 0.97 0.00 0.08 1.35 -1.95 -2.27 112.91 111.70 1raa h THR 168 Ca 0.16 -1.27 -0.09 0.00 -0.55 0.00 0.00 66.41 64.66 1raa h THR 168 Cb -0.07 1.74 -0.01 0.00 -1.73 0.00 0.00 68.15 68.08 1raa h THR 168 CO -0.04 0.33 -0.42 -0.37 -0.25 0.00 0.00 175.52 174.77 1raa h VAL 169 N 0.00 0.76 -0.04 6.82 -1.51 -1.79 -0.52 116.25 119.96 1raa h VAL 169 Ca -0.00 -1.94 -0.02 0.00 -1.23 0.00 0.00 66.70 63.50 1raa h VAL 169 Cb 0.72 2.28 0.00 0.00 -2.13 0.00 0.00 31.29 32.16 1raa h VAL 169 CO 0.04 0.41 -0.07 0.45 -1.23 0.00 0.00 177.57 177.18 1raa h HIS 170 N 0.00 0.14 0.11 5.19 3.86 -1.32 -2.35 115.15 120.78 1raa h HIS 170 Ca -0.00 -0.05 -0.00 0.00 -1.16 0.00 0.00 60.37 59.16 1raa h HIS 170 Cb 1.25 -0.03 -0.00 0.00 1.06 0.00 0.00 27.41 29.68 1raa h HIS 170 CO 0.00 0.64 -0.08 0.77 0.86 0.00 0.00 177.93 180.13 1raa h SER 171 N -0.41 -0.19 -0.02 2.45 0.02 -1.41 -2.09 113.55 111.90 1raa h SER 171 Ca 0.00 0.02 -0.03 0.00 -0.84 0.00 0.00 61.79 60.94 1raa h SER 171 Cb 0.63 0.06 -0.01 0.00 0.14 0.00 0.00 62.40 63.23 1raa h SER 171 CO 0.01 -0.12 -0.05 0.25 -1.14 0.00 0.00 176.83 175.78 1raa h LEU 172 N -0.19 0.17 -0.11 5.07 5.85 -1.06 -0.81 115.31 124.23 1raa h LEU 172 Ca -0.01 -0.02 -0.14 0.00 0.84 0.00 0.00 57.88 58.55 1raa h LEU 172 Cb 0.17 -0.04 0.01 0.00 0.37 0.00 0.00 40.66 41.16 1raa h LEU 172 CO -0.00 0.26 -0.49 0.74 -0.34 0.00 0.00 178.44 178.61 1raa h THR 173 N 0.18 1.36 -0.65 1.05 2.02 -1.03 0.40 112.91 116.25 1raa h THR 173 Ca 0.04 -1.80 0.12 0.00 0.77 0.00 0.00 66.41 65.55 1raa h THR 173 Cb 0.22 2.15 -0.09 0.00 -1.74 0.00 0.00 68.15 68.69 1raa h THR 173 CO 0.01 0.54 0.18 1.56 0.37 0.00 0.00 175.52 178.18 1raa h GLN 174 N 0.14 0.30 0.02 6.66 4.20 -0.51 -1.27 115.11 124.65 1raa h GLN 174 Ca -0.03 -0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.66 1raa h GLN 174 Cb 1.13 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.84 1raa h GLN 174 CO 0.10 0.20 -0.01 0.00 -0.67 0.00 0.00 178.83 178.45 1raa h ALA 175 N 1.50 -0.03 0.00 3.87 0.00 -1.26 -2.90 119.26 120.44 1raa h ALA 175 Ca 0.35 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1raa h ALA 175 Cb 0.52 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1raa h ALA 175 CO -0.41 -0.20 0.00 -0.07 0.00 0.00 0.00 179.25 178.58 1raa h LEU 176 N -0.67 0.00 -1.09 0.00 3.38 -0.69 -1.92 115.31 114.32 1raa h LEU 176 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1raa h LEU 176 Cb 0.63 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.38 1raa h LEU 176 CO 0.01 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.54 1raa n ALA 177 N -1.82 2.51 0.55 1.53 0.00 -0.50 -3.27 120.51 119.51 1raa n ALA 177 Ca -0.01 -0.52 0.12 0.00 0.00 0.00 0.00 53.44 53.03 1raa n ALA 177 Cb 0.08 -1.07 0.23 0.00 0.00 0.00 0.00 19.45 18.69 1raa n ALA 177 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1raa h LYS 178 N 2.07 0.00 0.00 0.00 1.57 -1.39 -3.47 116.57 115.34 1raa h LYS 178 Ca 0.00 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.57 1raa h LYS 178 Cb 0.46 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.78 1raa h LYS 178 CO 0.00 0.00 -0.03 1.19 -0.57 0.00 0.00 179.45 180.04 1raa n PHE 179 N -2.22 -2.72 -5.23 -1.35 3.72 -1.20 -4.88 117.46 103.57 1raa n PHE 179 Ca 0.04 -0.90 -0.31 0.00 -0.05 0.00 0.00 57.45 56.23 1raa n PHE 179 Cb 0.44 -0.24 -0.16 0.00 -0.94 0.00 0.00 39.48 38.58 1raa n PHE 179 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1raa s ASP 180 N -2.55 2.95 -0.62 4.37 1.01 -1.26 -4.64 116.67 115.93 1raa s ASP 180 Ca 0.26 -0.47 0.00 0.00 0.71 0.00 0.00 52.55 53.05 1raa s ASP 180 Cb -0.02 -0.60 0.00 0.00 1.01 0.00 0.00 42.92 43.31 1raa s ASP 180 CO 0.17 0.27 0.00 0.61 0.21 0.00 0.00 175.17 176.42 1raa n GLY 181 N 2.75 0.62 3.80 0.21 0.00 -1.26 0.03 105.19 111.34 1raa n GLY 181 Ca -0.17 -0.73 -0.34 0.00 0.00 0.00 0.00 46.02 44.78 1raa n GLY 181 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1raa s ASN 182 N -2.87 6.72 -0.07 1.61 0.01 -1.26 -3.84 114.94 115.24 1raa s ASN 182 Ca 0.00 1.83 0.04 0.00 -0.71 0.00 0.00 52.86 54.02 1raa s ASN 182 Cb 0.00 -2.56 0.00 0.00 0.41 0.00 0.00 41.25 39.11 1raa s ASN 182 CO 0.00 -0.52 -0.18 -0.60 -1.51 0.00 0.00 177.10 174.29 1raa s ARG 183 N -3.05 2.18 -0.13 -0.60 3.52 0.89 -4.13 118.95 117.63 1raa s ARG 183 Ca 0.63 -0.64 -0.01 0.00 -0.13 0.00 0.00 55.73 55.58 1raa s ARG 183 Cb -0.14 -1.76 -0.02 0.00 -1.56 0.00 0.00 34.95 31.47 1raa s ARG 183 CO 0.18 0.16 -0.09 -0.06 -0.81 0.00 0.00 175.30 174.68 1raa s PHE 184 N 0.32 2.90 -0.19 5.12 0.08 -0.35 -0.82 117.98 125.04 1raa s PHE 184 Ca -0.12 -0.40 -0.01 0.00 0.12 0.00 0.00 56.93 56.52 1raa s PHE 184 Cb -0.15 -1.85 0.00 0.00 -0.57 0.00 0.00 43.02 40.45 1raa s PHE 184 CO 0.05 -0.05 -0.13 0.71 -0.10 0.00 0.00 175.22 175.69 1raa s TYR 185 N 0.13 2.84 -0.28 0.36 2.02 -0.93 -0.90 117.35 120.58 1raa s TYR 185 Ca -0.04 -1.24 -0.00 0.00 -0.37 0.00 0.00 57.07 55.42 1raa s TYR 185 Cb -0.14 -1.98 0.05 0.00 -0.40 0.00 0.00 41.96 39.49 1raa s TYR 185 CO 0.04 -0.63 -0.04 -0.06 -1.57 0.00 0.00 175.55 173.29 1raa s PHE 186 N 1.22 3.24 -0.33 2.71 0.08 0.05 -1.11 117.98 123.85 1raa s PHE 186 Ca 0.02 -1.98 -0.03 0.00 0.12 0.00 0.00 56.93 55.07 1raa s PHE 186 Cb -0.14 -2.05 0.06 0.00 -0.57 0.00 0.00 43.02 40.33 1raa s PHE 186 CO -0.06 -0.82 0.07 0.42 -0.10 0.00 0.00 175.22 174.72 1raa s ILE 187 N 1.21 3.16 0.03 0.64 1.01 -0.81 -1.84 121.20 124.61 1raa s ILE 187 Ca -0.06 -1.53 -0.11 0.00 0.00 0.00 0.00 60.65 58.95 1raa s ILE 187 Cb -0.19 -2.91 0.01 0.00 0.01 0.00 0.00 42.46 39.37 1raa s ILE 187 CO -0.03 -0.27 0.22 0.00 0.00 0.00 0.00 174.94 174.86 1raa s ALA 188 N 1.24 -0.47 0.12 9.38 0.00 -1.26 -1.98 121.76 128.79 1raa s ALA 188 Ca -0.01 -0.12 -0.31 0.00 0.00 0.00 0.00 51.96 51.52 1raa s ALA 188 Cb -0.20 0.23 -0.10 0.00 0.00 0.00 0.00 23.12 23.04 1raa s ALA 188 CO -0.01 -0.33 1.75 -1.25 0.00 0.00 0.00 175.76 175.92 1raa s PRO 189 N -2.18 4.16 0.22 0.00 0.04 -1.26 -4.89 135.00 131.09 1raa s PRO 189 Ca -0.08 2.50 0.10 0.00 0.04 0.00 0.00 61.00 63.56 1raa s PRO 189 Cb -0.03 -3.52 0.52 0.00 0.04 0.00 0.00 34.50 31.51 1raa s PRO 189 CO -0.02 -0.79 1.17 -0.40 0.04 0.00 0.00 177.00 177.01 1raa n ASP 190 N 5.40 0.25 0.20 6.66 5.75 -1.26 0.45 116.55 134.00 1raa n ASP 190 Ca 0.17 0.50 0.13 0.00 -0.01 0.00 0.00 54.79 55.58 1raa n ASP 190 Cb 0.39 -0.47 0.35 0.00 -1.03 0.00 0.00 41.12 40.36 1raa n ASP 190 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1raa h ALA 191 N 1.30 1.00 -0.81 2.12 0.00 -2.00 -3.34 119.26 117.52 1raa h ALA 191 Ca 0.00 0.00 -0.52 0.00 0.00 0.00 0.00 54.91 54.39 1raa h ALA 191 Cb 0.46 0.00 -0.43 0.00 0.00 0.00 0.00 17.79 17.83 1raa h ALA 191 CO 0.00 0.00 -0.85 1.28 0.00 0.00 0.00 179.25 179.68 1raa n LEU 192 N -2.87 4.49 -4.90 0.00 4.77 0.17 -4.97 117.00 113.69 1raa n LEU 192 Ca 0.03 -4.61 -0.32 0.00 -0.03 0.00 0.00 56.01 51.09 1raa n LEU 192 Cb 0.44 -0.26 -0.05 0.00 -2.33 0.00 0.00 43.42 41.23 1raa n LEU 192 CO 0.31 2.00 -0.04 0.00 -1.33 0.00 0.00 177.39 178.33 1raa s ALA 193 N -3.61 3.87 -0.17 -1.18 0.00 -1.23 -1.40 121.76 118.03 1raa s ALA 193 Ca 0.48 -0.65 -0.42 0.00 0.00 0.00 0.00 51.96 51.37 1raa s ALA 193 Cb 0.40 -2.03 -0.20 0.00 0.00 0.00 0.00 23.12 21.30 1raa s ALA 193 CO 0.00 0.72 1.23 -0.12 0.00 0.00 0.00 175.76 177.59 1raa n MET 194 N 0.32 0.00 -1.44 0.00 1.56 -1.26 -3.78 117.12 112.52 1raa n MET 194 Ca -0.05 0.00 -0.33 0.00 -0.27 0.00 0.00 57.70 57.05 1raa n MET 194 Cb 0.52 -1.47 0.08 0.00 2.15 0.00 0.00 33.22 34.50 1raa n MET 194 CO 0.00 0.00 0.00 -2.14 -0.73 0.00 0.00 175.97 173.10 1raa s PRO 195 N 1.03 2.26 0.41 2.12 0.02 -1.26 -4.91 135.00 134.67 1raa s PRO 195 Ca 0.94 1.53 0.09 0.00 0.02 0.00 0.00 61.00 63.57 1raa s PRO 195 Cb -1.32 -1.87 0.89 0.00 0.02 0.00 0.00 34.50 32.22 1raa s PRO 195 CO 0.64 -1.70 2.03 0.37 -0.33 0.00 0.00 177.00 178.01 1raa h GLN 196 N -0.46 0.53 -0.46 5.54 5.75 -2.00 -2.20 115.11 121.81 1raa h GLN 196 Ca -0.46 -0.03 0.02 0.00 -0.15 0.00 0.00 58.65 58.02 1raa h GLN 196 Cb 1.27 -0.12 -0.02 0.00 1.07 0.00 0.00 27.48 29.67 1raa h GLN 196 CO 0.50 0.35 0.31 0.10 -2.65 0.00 0.00 178.83 177.44 1raa h TYR 197 N 0.55 0.53 -0.39 3.99 -0.00 -1.98 0.26 116.97 119.93 1raa h TYR 197 Ca 0.20 0.01 -0.13 0.00 0.00 0.00 0.00 58.73 58.82 1raa h TYR 197 Cb 0.13 -0.18 -0.01 0.00 0.00 0.00 0.00 36.73 36.67 1raa h TYR 197 CO -0.00 0.32 -0.26 0.82 -0.00 0.00 0.00 178.16 179.04 1raa h ILE 198 N 0.57 1.28 0.43 -0.90 1.08 -1.76 -0.90 117.51 117.30 1raa h ILE 198 Ca 0.18 -1.42 -0.02 0.00 -0.39 0.00 0.00 64.86 63.21 1raa h ILE 198 Cb 0.02 1.34 0.00 0.00 -3.07 0.00 0.00 36.82 35.11 1raa h ILE 198 CO -0.04 0.47 -0.21 -0.07 -0.69 0.00 0.00 178.15 177.61 1raa h LEU 199 N 0.67 -0.49 -0.40 1.44 3.38 -1.19 0.11 115.31 118.83 1raa h LEU 199 Ca 0.08 -0.10 0.08 0.00 0.09 0.00 0.00 57.88 58.03 1raa h LEU 199 Cb 0.84 0.13 -0.09 0.00 0.09 0.00 0.00 40.66 41.63 1raa h LEU 199 CO 0.07 -0.15 -0.22 0.44 0.09 0.00 0.00 178.44 178.68 1raa h ASP 200 N -0.88 -0.74 -0.67 -0.43 5.19 -0.55 -0.12 116.42 118.22 1raa h ASP 200 Ca -0.06 0.16 0.14 0.00 -0.62 0.00 0.00 57.03 56.65 1raa h ASP 200 Cb 0.56 0.39 -0.10 0.00 0.18 0.00 0.00 39.33 40.36 1raa h ASP 200 CO 0.10 -0.25 0.14 -0.03 -3.12 0.00 0.00 179.24 176.08 1raa h MET 201 N -0.15 0.25 -0.08 3.56 4.05 -0.83 -1.20 114.93 120.53 1raa h MET 201 Ca 0.19 -0.02 -0.01 0.00 -0.28 0.00 0.00 59.70 59.59 1raa h MET 201 Cb 0.45 -0.06 -0.01 0.00 -0.80 0.00 0.00 31.60 31.19 1raa h MET 201 CO -0.49 0.17 0.01 -0.07 0.23 0.00 0.00 176.91 176.76 1raa h LEU 202 N 0.26 0.10 -0.05 3.39 3.38 0.80 -1.68 115.31 121.50 1raa h LEU 202 Ca 0.36 -0.01 -0.25 0.00 0.09 0.00 0.00 57.88 58.08 1raa h LEU 202 Cb 0.58 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.31 1raa h LEU 202 CO -0.46 0.11 -1.07 0.44 0.09 0.00 0.00 178.44 177.55 1raa h ASP 203 N 0.11 0.51 -0.45 -0.43 3.32 -0.08 0.44 116.42 119.83 1raa h ASP 203 Ca 0.03 -0.46 0.05 0.00 0.02 0.00 0.00 57.03 56.67 1raa h ASP 203 Cb 0.06 -0.16 -0.05 0.00 0.22 0.00 0.00 39.33 39.41 1raa h ASP 203 CO -0.00 1.29 0.18 -0.33 -1.72 0.00 0.00 179.24 178.66 1raa h GLU 204 N 0.17 0.35 0.00 3.56 5.08 -0.89 -0.28 114.58 122.57 1raa h GLU 204 Ca -0.11 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.23 1raa h GLU 204 Cb 1.74 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.91 1raa h GLU 204 CO 0.18 0.23 0.00 1.63 -1.00 0.00 0.00 179.01 180.06 1raa n LYS 205 N -4.98 0.70 -2.49 2.33 5.02 -1.04 -4.86 118.16 112.83 1raa n LYS 205 Ca 0.04 0.00 -0.17 0.00 -2.02 0.00 0.00 58.31 56.16 1raa n LYS 205 Cb 0.16 -1.34 0.00 0.00 -0.02 0.00 0.00 35.03 33.83 1raa n LYS 205 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1raa n GLY 206 N 0.33 -0.29 3.83 0.72 0.00 -0.12 -5.00 105.19 104.66 1raa n GLY 206 Ca 0.11 -0.16 -0.36 0.00 0.00 0.00 0.00 46.02 45.62 1raa n GLY 206 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1raa s ILE 207 N -2.89 4.71 0.04 -0.61 1.01 0.13 -5.01 121.20 118.58 1raa s ILE 207 Ca 0.08 1.08 -0.26 0.00 0.00 0.00 0.00 60.65 61.55 1raa s ILE 207 Cb -0.04 -3.81 -0.05 0.00 0.01 0.00 0.00 42.46 38.58 1raa s ILE 207 CO 0.10 0.25 0.80 0.00 0.00 0.00 0.00 174.94 176.09 1raa s ALA 208 N -1.47 3.34 0.15 9.38 0.00 -1.26 -4.60 121.76 127.30 1raa s ALA 208 Ca 0.40 0.32 -0.14 0.00 0.00 0.00 0.00 51.96 52.54 1raa s ALA 208 Cb -0.16 -3.05 0.02 0.00 0.00 0.00 0.00 23.12 19.92 1raa s ALA 208 CO 0.20 0.02 0.39 1.67 0.00 0.00 0.00 175.76 178.04 1raa s TRP 209 N 0.10 0.01 0.09 0.00 1.48 -1.26 -1.21 118.94 118.15 1raa s TRP 209 Ca 0.40 -0.36 -0.24 0.00 -1.06 0.00 0.00 56.10 54.84 1raa s TRP 209 Cb -0.21 0.19 0.06 0.00 -1.16 0.00 0.00 33.47 32.36 1raa s TRP 209 CO 0.24 -0.76 0.58 -1.54 -4.06 0.00 0.00 176.95 171.41 1raa s SER 210 N -2.87 -0.53 -0.12 -2.66 1.04 -0.08 -4.96 113.70 103.52 1raa s SER 210 Ca 0.09 0.17 0.02 0.00 0.48 0.00 0.00 55.95 56.71 1raa s SER 210 Cb 0.02 0.55 -0.01 0.00 0.10 0.00 0.00 66.02 66.68 1raa s SER 210 CO -0.06 -0.82 -0.19 -0.76 0.98 0.00 0.00 173.24 172.38 1raa s LEU 211 N -2.24 2.35 0.34 2.42 1.02 -1.26 -0.77 118.68 120.55 1raa s LEU 211 Ca -0.03 -0.47 0.05 0.00 0.02 0.00 0.00 54.13 53.70 1raa s LEU 211 Cb -0.00 -1.50 -0.07 0.00 0.02 0.00 0.00 46.19 44.64 1raa s LEU 211 CO -0.05 0.15 0.03 -1.00 0.02 0.00 0.00 176.35 175.50 1raa s HIS 212 N 0.39 2.12 -1.36 0.29 3.76 -0.77 -4.89 115.29 114.84 1raa s HIS 212 Ca -0.15 -0.85 0.11 0.00 -0.15 0.00 0.00 55.06 54.02 1raa s HIS 212 Cb -0.17 -1.40 0.08 0.00 1.11 0.00 0.00 32.58 32.20 1raa s HIS 212 CO 0.07 0.16 0.84 0.43 -0.85 0.00 0.00 174.74 175.38 1raa n SER 213 N -0.75 1.88 -3.83 1.40 7.64 -1.26 -4.04 113.62 114.65 1raa n SER 213 Ca -0.03 -1.44 -0.12 0.00 1.01 0.00 0.00 58.87 58.29 1raa n SER 213 Cb 0.66 0.03 -0.11 0.00 -1.01 0.00 0.00 64.21 63.79 1raa n SER 213 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1raa s SER 214 N -0.96 -0.10 0.29 6.43 0.01 -1.26 -4.86 113.70 113.25 1raa s SER 214 Ca 0.13 0.12 -0.02 0.00 1.31 0.00 0.00 55.95 57.48 1raa s SER 214 Cb 0.09 0.30 0.42 0.00 0.21 0.00 0.00 66.02 67.04 1raa s SER 214 CO 0.15 -0.21 1.94 0.40 0.41 0.00 0.00 173.24 175.92 1raa h ILE 215 N 4.56 1.22 -1.01 1.44 2.04 -1.93 -1.78 117.51 122.05 1raa h ILE 215 Ca -0.28 -0.47 0.28 0.00 1.00 0.00 0.00 64.86 65.39 1raa h ILE 215 Cb 1.19 0.11 -0.13 0.00 -0.74 0.00 0.00 36.82 37.25 1raa h ILE 215 CO 0.40 0.23 0.59 -0.08 0.00 0.00 0.00 178.15 179.29 1raa h GLU 216 N 1.08 0.45 0.00 2.37 4.22 -1.94 0.19 114.58 120.95 1raa h GLU 216 Ca 0.28 -0.03 0.00 0.00 0.08 0.00 0.00 59.36 59.70 1raa h GLU 216 Cb -0.05 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.10 1raa h GLU 216 CO -0.05 0.30 0.00 0.93 -2.18 0.00 0.00 179.01 178.00 1raa h GLU 217 N 0.46 0.00 0.00 1.92 5.08 -1.72 -3.27 114.58 117.06 1raa h GLU 217 Ca 0.68 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 59.04 1raa h GLU 217 Cb 1.44 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.69 1raa h GLU 217 CO -0.52 0.00 0.00 1.33 -1.00 0.00 0.00 179.01 178.82 1raa n VAL 218 N -2.93 0.10 -0.38 3.13 0.24 0.47 -4.83 118.33 114.13 1raa n VAL 218 Ca -0.00 -0.30 0.30 0.00 -2.04 0.00 0.00 64.34 62.29 1raa n VAL 218 Cb 0.21 1.34 0.57 0.00 -1.47 0.00 0.00 33.84 34.49 1raa n VAL 218 CO 0.00 0.00 0.00 -0.03 -2.14 0.00 0.00 176.83 174.66 1raa h MET 219 N 0.00 0.20 -0.00 7.34 -1.53 -1.11 -0.49 114.93 119.34 1raa h MET 219 Ca 0.00 -0.01 -0.14 0.00 -3.44 0.00 0.00 59.70 56.10 1raa h MET 219 Cb 0.35 -0.05 -0.02 0.00 -0.55 0.00 0.00 31.60 31.34 1raa h MET 219 CO 0.00 0.13 -0.68 0.00 0.14 0.00 0.00 176.91 176.50 1raa h ALA 220 N 1.69 0.87 -0.01 0.39 0.00 -1.84 -3.17 119.26 117.19 1raa h ALA 220 Ca 0.75 -0.62 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1raa h ALA 220 Cb 2.09 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.77 1raa h ALA 220 CO -0.46 0.85 -0.39 0.39 0.00 0.00 0.00 179.25 179.63 1raa n GLU 221 N -3.74 1.03 -3.28 0.00 1.02 -0.20 -4.60 120.64 110.87 1raa n GLU 221 Ca -0.01 -0.77 -0.39 0.00 -0.02 0.00 0.00 57.16 55.98 1raa n GLU 221 Cb 0.67 -1.48 -0.06 0.00 -0.02 0.00 0.00 31.44 30.55 1raa n GLU 221 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1raa s VAL 222 N -2.50 4.83 -0.25 2.62 0.11 -1.18 -4.76 120.40 119.28 1raa s VAL 222 Ca 0.21 1.18 -0.15 0.00 -2.93 0.00 0.00 61.98 60.29 1raa s VAL 222 Cb 0.19 -3.89 -0.10 0.00 -1.53 0.00 0.00 36.38 31.05 1raa s VAL 222 CO 0.56 0.51 -0.35 0.47 -3.33 0.00 0.00 175.10 172.95 1raa n ASP 223 N 2.08 1.94 -4.48 3.54 8.00 -0.32 -4.39 116.55 122.92 1raa n ASP 223 Ca -0.10 0.33 -0.35 0.00 0.71 0.00 0.00 54.79 55.39 1raa n ASP 223 Cb 0.51 -0.79 -0.12 0.00 -0.02 0.00 0.00 41.12 40.70 1raa n ASP 223 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1raa s ILE 224 N -2.62 4.06 -0.41 0.53 -1.09 -1.11 -1.93 121.20 118.63 1raa s ILE 224 Ca -0.36 -0.28 -0.16 0.00 -2.23 0.00 0.00 60.65 57.62 1raa s ILE 224 Cb 0.12 -2.83 0.02 0.00 -1.58 0.00 0.00 42.46 38.19 1raa s ILE 224 CO 0.47 0.44 0.34 -0.22 -1.23 0.00 0.00 174.94 174.74 1raa s LEU 225 N 0.85 5.03 -0.36 2.97 0.20 -0.40 -0.78 118.68 126.20 1raa s LEU 225 Ca 0.01 -0.83 -0.07 0.00 0.69 0.00 0.00 54.13 53.93 1raa s LEU 225 Cb -0.14 -2.23 0.04 0.00 -0.43 0.00 0.00 46.19 43.43 1raa s LEU 225 CO 0.02 -0.49 0.14 -0.47 -0.29 0.00 0.00 176.35 175.26 1raa s TYR 226 N 1.83 3.27 0.13 5.38 5.04 0.15 -1.81 117.35 131.34 1raa s TYR 226 Ca 0.07 -1.39 -0.14 0.00 -2.44 0.00 0.00 57.07 53.18 1raa s TYR 226 Cb -0.18 -2.41 -0.07 0.00 0.35 0.00 0.00 41.96 39.65 1raa s TYR 226 CO 0.11 -0.74 0.52 -1.64 -1.34 0.00 0.00 175.55 172.47 1raa s MET 227 N 1.42 3.94 0.12 4.97 -1.94 -0.21 -0.40 119.30 127.21 1raa s MET 227 Ca -0.00 0.44 0.09 0.00 -1.71 0.00 0.00 55.69 54.51 1raa s MET 227 Cb -0.20 -2.96 -0.04 0.00 2.01 0.00 0.00 34.83 33.65 1raa s MET 227 CO 0.03 0.50 -0.23 0.99 -0.01 0.00 0.00 175.02 176.30 1raa s THR 228 N -1.44 1.96 0.21 2.05 2.01 -0.10 -4.23 115.64 116.10 1raa s THR 228 Ca 0.36 -1.69 -0.30 0.00 0.31 0.00 0.00 61.69 60.37 1raa s THR 228 Cb -0.15 -1.78 -0.08 0.00 0.01 0.00 0.00 72.50 70.50 1raa s THR 228 CO 0.19 -0.04 1.04 0.00 -0.69 0.00 0.00 174.62 175.12 1raa s ARG 229 N -2.11 4.69 -0.22 4.92 1.70 -1.26 -4.47 118.95 122.20 1raa s ARG 229 Ca 0.11 1.65 -0.15 0.00 -0.47 0.00 0.00 55.73 56.87 1raa s ARG 229 Cb -0.09 -3.27 -0.04 0.00 -0.57 0.00 0.00 34.95 30.98 1raa s ARG 229 CO 0.05 0.24 0.37 0.08 -1.08 0.00 0.00 175.30 174.97 1raa s VAL 230 N -0.70 5.21 -0.89 4.99 1.01 -1.26 -4.33 120.40 124.42 1raa s VAL 230 Ca 0.46 0.64 -0.25 0.00 0.00 0.00 0.00 61.98 62.83 1raa s VAL 230 Cb -0.28 -3.70 -0.02 0.00 0.00 0.00 0.00 36.38 32.37 1raa s VAL 230 CO 0.35 0.24 1.81 -1.10 0.00 0.00 0.00 175.10 176.40 1raa s GLN 231 N 1.43 2.81 0.63 2.72 -0.21 -1.26 -4.93 119.66 120.85 1raa s GLN 231 Ca 0.17 -0.37 0.34 0.00 0.02 0.00 0.00 55.36 55.53 1raa s GLN 231 Cb -0.15 -5.02 1.92 0.00 1.00 0.00 0.00 33.01 30.77 1raa s GLN 231 CO 0.08 -3.01 2.16 1.57 -2.12 0.00 0.00 175.29 173.97 1raa h LYS 232 N 11.33 0.00 0.00 2.91 2.10 -1.94 -2.50 116.57 128.47 1raa h LYS 232 Ca 0.07 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.72 1raa h LYS 232 Cb 1.02 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.35 1raa h LYS 232 CO 1.26 0.00 0.00 -0.85 -2.00 0.00 0.00 179.45 177.86 1raa n GLU 233 N -3.35 0.01 -0.24 0.07 0.00 -1.26 -3.09 120.64 112.78 1raa n GLU 233 Ca -0.01 0.14 0.09 0.00 0.00 0.00 0.00 57.16 57.38 1raa n GLU 233 Cb 0.24 -1.50 0.22 0.00 0.00 0.00 0.00 31.44 30.40 1raa n GLU 233 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 1raa n ARG 234 N -1.49 2.62 -4.37 3.44 1.74 -0.94 -4.91 116.66 112.75 1raa n ARG 234 Ca 0.05 -2.26 -0.20 0.00 -0.77 0.00 0.00 57.85 54.67 1raa n ARG 234 Cb 0.24 -1.41 -0.09 0.00 -1.02 0.00 0.00 32.46 30.17 1raa n ARG 234 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1raa s LEU 235 N -1.06 1.77 -0.03 0.55 1.02 -1.18 -5.11 118.68 114.64 1raa s LEU 235 Ca 0.35 -1.52 -0.01 0.00 0.02 0.00 0.00 54.13 52.97 1raa s LEU 235 Cb 0.18 0.05 -0.04 0.00 0.02 0.00 0.00 46.19 46.40 1raa s LEU 235 CO 0.25 -0.83 0.08 -0.62 0.02 0.00 0.00 176.35 175.24 1raa s ASP 236 N -3.41 5.69 0.58 2.29 2.15 -1.26 -4.97 116.67 117.73 1raa s ASP 236 Ca 0.34 0.18 0.28 0.00 0.43 0.00 0.00 52.55 53.78 1raa s ASP 236 Cb 0.06 -1.65 1.55 0.00 -0.30 0.00 0.00 42.92 42.57 1raa s ASP 236 CO 0.16 0.30 2.01 1.55 -0.17 0.00 0.00 175.17 179.02 1raa h PRO 237 N 4.34 0.00 0.00 4.34 0.13 -1.99 0.64 132.00 139.45 1raa h PRO 237 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1raa h PRO 237 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1raa h PRO 237 CO 0.61 0.00 -1.05 -1.13 -0.23 0.00 0.00 178.00 176.20 1raa n SER 238 N -3.88 0.67 -0.04 1.44 3.41 -1.26 -2.48 113.62 111.48 1raa n SER 238 Ca 0.05 0.11 -0.14 0.00 -0.26 0.00 0.00 58.87 58.63 1raa n SER 238 Cb 0.48 0.66 -0.12 0.00 -0.26 0.00 0.00 64.21 64.97 1raa n SER 238 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 1raa h GLU 239 N 0.00 0.06 -0.03 4.33 4.81 -1.28 -2.89 114.58 119.57 1raa h GLU 239 Ca 0.00 -0.07 0.03 0.00 -0.13 0.00 0.00 59.36 59.20 1raa h GLU 239 Cb 0.88 0.02 -0.06 0.00 0.63 0.00 0.00 28.75 30.22 1raa h GLU 239 CO 0.00 0.88 -0.41 -0.92 -0.73 0.00 0.00 179.01 177.83 1raa h TYR 240 N -0.74 -1.17 0.00 0.92 5.03 -1.21 -1.22 116.97 118.58 1raa h TYR 240 Ca -0.01 0.04 -0.06 0.00 2.58 0.00 0.00 58.73 61.28 1raa h TYR 240 Cb 0.92 0.52 -0.01 0.00 1.55 0.00 0.00 36.73 39.71 1raa h TYR 240 CO 0.21 -0.49 -0.28 0.00 -1.32 0.00 0.00 178.16 176.29 1raa h ALA 241 N 0.02 1.20 -2.77 1.82 0.00 -1.61 -3.38 119.26 114.54 1raa h ALA 241 Ca 0.06 -0.25 -0.77 0.00 0.00 0.00 0.00 54.91 53.95 1raa h ALA 241 Cb 0.64 -0.04 -0.30 0.00 0.00 0.00 0.00 17.79 18.09 1raa h ALA 241 CO -0.33 0.35 0.14 1.21 0.00 0.00 0.00 179.25 180.62 1raa s ASN 242 N -6.46 6.66 -0.29 0.00 2.47 -0.46 -4.87 114.94 111.99 1raa s ASN 242 Ca -0.02 -3.25 -0.01 0.00 0.42 0.00 0.00 52.86 50.01 1raa s ASN 242 Cb 0.13 -2.11 0.13 0.00 -1.45 0.00 0.00 41.25 37.94 1raa s ASN 242 CO 0.66 -0.37 0.27 0.68 -3.72 0.00 0.00 177.10 174.63 1raa s VAL 243 N -0.69 -0.35 0.00 -5.21 -7.23 -1.26 -4.86 120.40 100.80 1raa s VAL 243 Ca 0.24 -0.55 0.00 0.00 -1.81 0.00 0.00 61.98 59.86 1raa s VAL 243 Cb -0.11 -0.98 0.00 0.00 0.56 0.00 0.00 36.38 35.86 1raa s VAL 243 CO -0.09 -0.51 0.00 1.17 -0.31 0.00 0.00 175.10 175.36 1raa n LYS 244 N 5.25 0.00 -2.58 4.82 0.00 -1.26 -0.59 118.16 123.80 1raa n LYS 244 Ca -0.02 0.00 -0.14 0.00 0.00 0.00 0.00 58.31 58.15 1raa n LYS 244 Cb 0.46 0.00 0.02 0.00 0.00 0.00 0.00 35.03 35.51 1raa n LYS 244 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1raa n ALA 245 N 12.00 3.93 -0.47 3.14 0.00 -1.26 -5.10 120.51 132.76 1raa n ALA 245 Ca 0.00 -3.50 0.00 0.00 0.00 0.00 0.00 53.44 49.95 1raa n ALA 245 Cb 0.00 -0.77 -0.00 0.00 0.00 0.00 0.00 19.45 18.68 1raa n ALA 245 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1raa n GLN 246 N -0.30 -0.02 -2.98 0.00 6.02 0.24 -4.76 117.38 115.58 1raa n GLN 246 Ca 0.20 0.01 -0.22 0.00 -0.01 0.00 0.00 57.00 56.98 1raa n GLN 246 Cb 0.78 -0.02 -0.03 0.00 1.02 0.00 0.00 30.24 31.99 1raa n GLN 246 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 1raa n PHE 247 N -0.95 2.35 -4.55 1.08 3.01 -1.26 -4.92 117.46 112.22 1raa n PHE 247 Ca 0.00 -3.79 -0.26 0.00 1.01 0.00 0.00 57.45 54.41 1raa n PHE 247 Cb 0.00 -0.43 -0.11 0.00 -0.01 0.00 0.00 39.48 38.94 1raa n PHE 247 CO 0.00 0.00 0.00 0.14 1.01 0.00 0.00 176.76 177.91 1raa s VAL 248 N -3.69 1.93 -0.02 -4.37 -7.23 -1.26 -4.90 120.40 100.86 1raa s VAL 248 Ca 0.44 -2.08 0.07 0.00 -1.81 0.00 0.00 61.98 58.60 1raa s VAL 248 Cb 0.33 -2.80 -0.02 0.00 0.56 0.00 0.00 36.38 34.45 1raa s VAL 248 CO -0.11 -0.10 -0.22 -0.22 -0.31 0.00 0.00 175.10 174.15 1raa s LEU 249 N -3.62 2.04 0.08 1.32 2.96 0.29 -4.98 118.68 116.77 1raa s LEU 249 Ca 0.34 -0.39 0.01 0.00 -0.22 0.00 0.00 54.13 53.87 1raa s LEU 249 Cb 0.07 -1.11 -0.04 0.00 0.50 0.00 0.00 46.19 45.61 1raa s LEU 249 CO 0.16 0.27 -0.06 -0.13 -1.32 0.00 0.00 176.35 175.27 1raa s ARG 250 N -0.51 0.73 0.32 1.98 0.52 -1.26 -0.89 118.95 119.84 1raa s ARG 250 Ca 0.08 -1.19 0.05 0.00 -0.52 0.00 0.00 55.73 54.15 1raa s ARG 250 Cb -0.08 -0.16 0.69 0.00 0.52 0.00 0.00 34.95 35.92 1raa s ARG 250 CO -0.01 -0.02 1.85 0.00 0.02 0.00 0.00 175.30 177.14 1raa h ALA 251 N 3.32 1.68 -0.90 2.13 0.00 -1.90 -2.46 119.26 121.13 1raa h ALA 251 Ca -0.35 0.02 0.24 0.00 0.00 0.00 0.00 54.91 54.82 1raa h ALA 251 Cb 1.17 -0.16 -0.13 0.00 0.00 0.00 0.00 17.79 18.67 1raa h ALA 251 CO 0.60 0.07 0.36 0.77 0.00 0.00 0.00 179.25 181.05 1raa h SER 252 N 0.84 0.25 0.53 0.00 0.02 -1.97 0.23 113.55 113.44 1raa h SER 252 Ca 0.48 0.17 -0.03 0.00 -0.84 0.00 0.00 61.79 61.57 1raa h SER 252 Cb 0.62 0.18 -0.00 0.00 0.14 0.00 0.00 62.40 63.33 1raa h SER 252 CO -0.24 -0.07 -0.13 0.44 -1.14 0.00 0.00 176.83 175.69 1raa h ASP 253 N 0.33 0.00 0.22 3.07 3.32 -1.86 -2.55 116.42 118.96 1raa h ASP 253 Ca 0.58 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.63 1raa h ASP 253 Cb 1.14 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.69 1raa h ASP 253 CO -0.58 0.13 -0.10 0.18 -1.72 0.00 0.00 179.24 177.16 1raa n LEU 254 N -3.50 0.70 0.15 1.55 4.77 0.79 -4.20 117.00 117.25 1raa n LEU 254 Ca -0.01 -0.13 0.10 0.00 -0.03 0.00 0.00 56.01 55.93 1raa n LEU 254 Cb 0.28 -0.12 0.53 0.00 -2.33 0.00 0.00 43.42 41.78 1raa n LEU 254 CO 0.30 0.12 0.80 0.00 -1.33 0.00 0.00 177.39 177.28 1raa n HIS 255 N -0.69 0.66 0.27 -1.77 1.44 -0.96 -1.35 115.22 112.82 1raa n HIS 255 Ca 0.16 0.34 0.11 0.00 -2.01 0.00 0.00 57.72 56.32 1raa n HIS 255 Cb 0.28 -1.05 -0.12 0.00 0.12 0.00 0.00 29.99 29.22 1raa n HIS 255 CO 0.00 0.00 0.00 -1.71 -2.81 0.00 0.00 176.34 171.82 1raa n ASN 256 N -2.18 0.34 -4.79 4.39 5.15 -1.26 -5.04 115.26 111.87 1raa n ASN 256 Ca -0.01 -0.20 -0.34 0.00 -0.60 0.00 0.00 54.58 53.42 1raa n ASN 256 Cb 0.04 1.54 -0.01 0.00 -0.53 0.00 0.00 39.78 40.82 1raa n ASN 256 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1raa s ALA 257 N -3.36 2.78 0.80 5.20 0.00 -0.45 -4.40 121.76 122.31 1raa s ALA 257 Ca -0.03 0.71 -0.13 0.00 0.00 0.00 0.00 51.96 52.51 1raa s ALA 257 Cb 0.14 -3.30 0.08 0.00 0.00 0.00 0.00 23.12 20.03 1raa s ALA 257 CO 0.88 -0.56 1.18 0.15 0.00 0.00 0.00 175.76 177.41 1raa s LYS 258 N -3.29 1.76 0.35 0.00 1.02 -1.26 -4.90 119.74 113.42 1raa s LYS 258 Ca 0.70 1.65 0.04 0.00 0.02 0.00 0.00 55.97 58.38 1raa s LYS 258 Cb -0.20 -1.80 0.69 0.00 -0.52 0.00 0.00 37.83 36.00 1raa s LYS 258 CO 0.24 -2.10 1.96 0.00 -0.92 0.00 0.00 175.35 174.53 1raa h ALA 259 N -0.90 1.65 -0.59 5.17 0.00 -1.95 -2.26 119.26 120.38 1raa h ALA 259 Ca -0.46 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1raa h ALA 259 Cb 1.28 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1raa h ALA 259 CO 0.47 0.25 0.00 0.27 0.00 0.00 0.00 179.25 180.24 1raa n ASN 260 N -4.47 3.21 -4.76 0.00 0.23 -1.26 -4.92 115.26 103.30 1raa n ASN 260 Ca 0.10 -2.01 -0.41 0.00 -0.53 0.00 0.00 54.58 51.73 1raa n ASN 260 Cb 0.19 -0.40 -0.03 0.00 -2.08 0.00 0.00 39.78 37.45 1raa n ASN 260 CO 0.00 0.00 0.00 -0.32 -0.93 0.00 0.00 177.26 176.01 1raa s MET 261 N -1.23 4.45 0.11 -3.83 1.75 -0.85 -4.86 119.30 114.84 1raa s MET 261 Ca 0.40 2.04 0.05 0.00 -1.25 0.00 0.00 55.69 56.93 1raa s MET 261 Cb 0.21 -3.15 -0.04 0.00 2.84 0.00 0.00 34.83 34.70 1raa s MET 261 CO 0.27 -0.08 -0.13 0.15 -0.65 0.00 0.00 175.02 174.57 1raa s LYS 262 N -1.17 0.95 -0.17 4.11 3.01 -0.81 -4.52 119.74 121.13 1raa s LYS 262 Ca 0.50 -1.17 -0.00 0.00 -1.01 0.00 0.00 55.97 54.29 1raa s LYS 262 Cb -0.36 -0.82 0.00 0.00 -1.01 0.00 0.00 37.83 35.64 1raa s LYS 262 CO 0.45 0.16 -0.15 0.08 0.51 0.00 0.00 175.35 176.40 1raa s VAL 263 N -2.01 2.60 0.15 3.17 1.01 0.19 -1.27 120.40 124.24 1raa s VAL 263 Ca 0.06 -0.78 0.08 0.00 0.00 0.00 0.00 61.98 61.34 1raa s VAL 263 Cb -0.06 -2.11 -0.04 0.00 0.00 0.00 0.00 36.38 34.17 1raa s VAL 263 CO 0.02 0.51 -0.08 -0.76 0.00 0.00 0.00 175.10 174.79 1raa s LEU 264 N 1.05 3.06 -0.29 3.92 1.43 -0.75 -0.84 118.68 126.26 1raa s LEU 264 Ca -0.01 -0.48 -0.15 0.00 -1.03 0.00 0.00 54.13 52.47 1raa s LEU 264 Cb -0.15 -1.78 0.12 0.00 0.03 0.00 0.00 46.19 44.42 1raa s LEU 264 CO -0.04 0.13 0.80 -2.28 0.23 0.00 0.00 176.35 175.18 1raa s HIS 265 N -1.54 -0.94 -0.70 0.29 2.46 -1.26 -1.04 115.29 112.56 1raa s HIS 265 Ca 0.24 1.79 0.10 0.00 0.47 0.00 0.00 55.06 57.66 1raa s HIS 265 Cb -0.10 0.56 0.52 0.00 -0.13 0.00 0.00 32.58 33.43 1raa s HIS 265 CO 0.15 -0.47 1.31 -0.35 -2.47 0.00 0.00 174.74 172.92 1raa n PRO 266 N 4.46 0.06 -1.41 2.88 -0.04 -1.26 -4.82 135.00 134.88 1raa n PRO 266 Ca -0.17 0.52 0.14 0.00 -0.04 0.00 0.00 63.50 63.95 1raa n PRO 266 Cb 0.56 -1.68 -0.08 0.00 -0.04 0.00 0.00 33.50 32.26 1raa n PRO 266 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1raa n LEU 267 N -1.80 -1.10 -4.82 1.53 4.77 -1.26 -5.02 117.00 109.30 1raa n LEU 267 Ca -0.00 2.41 -0.32 0.00 -0.03 0.00 0.00 56.01 58.06 1raa n LEU 267 Cb 0.04 -2.93 0.00 0.00 -2.33 0.00 0.00 43.42 38.20 1raa n LEU 267 CO 0.06 -1.85 0.71 -2.16 -1.33 0.00 0.00 177.39 172.81 1raa s PRO 268 N -4.45 3.47 -0.23 3.23 0.04 -1.26 -5.03 135.00 130.78 1raa s PRO 268 Ca 0.00 1.12 0.02 0.00 0.04 0.00 0.00 61.00 62.17 1raa s PRO 268 Cb 0.00 -2.06 0.05 0.00 0.04 0.00 0.00 34.50 32.53 1raa s PRO 268 CO 0.00 -0.68 -0.11 -0.98 0.04 0.00 0.00 177.00 175.27 1raa s ARG 269 N -4.15 2.21 -0.13 4.56 3.03 -1.26 -4.73 118.95 118.48 1raa s ARG 269 Ca 0.62 -1.08 -0.07 0.00 2.03 0.00 0.00 55.73 57.24 1raa s ARG 269 Cb -0.14 -2.67 -0.03 0.00 -1.03 0.00 0.00 34.95 31.08 1raa s ARG 269 CO 0.37 -0.48 -0.08 -0.39 -1.13 0.00 0.00 175.30 173.58 1raa h VAL 270 N 6.53 0.06 0.00 4.99 -1.51 -2.00 -3.48 116.25 120.84 1raa h VAL 270 Ca -0.25 -1.06 0.00 0.00 -1.23 0.00 0.00 66.70 64.16 1raa h VAL 270 Cb 1.08 0.13 0.00 0.00 -2.13 0.00 0.00 31.29 30.37 1raa h VAL 270 CO 0.48 0.02 0.00 -0.90 -1.23 0.00 0.00 177.57 175.94 1raa n ASP 271 N -4.67 0.00 0.33 4.19 5.75 -1.26 -4.84 116.55 116.05 1raa n ASP 271 Ca -0.05 0.00 0.18 0.00 -0.01 0.00 0.00 54.79 54.91 1raa n ASP 271 Cb 0.18 0.00 0.95 0.00 -1.03 0.00 0.00 41.12 41.23 1raa n ASP 271 CO 0.00 0.00 0.00 1.05 -0.11 0.00 0.00 177.20 178.14 1raa h GLU 272 N 0.00 0.00 -4.40 0.11 9.09 -1.91 -3.38 114.58 114.09 1raa h GLU 272 Ca 0.00 0.00 -0.58 0.00 0.05 0.00 0.00 59.36 58.83 1raa h GLU 272 Cb 0.00 0.00 -0.37 0.00 -1.65 0.00 0.00 28.75 26.73 1raa h GLU 272 CO 0.00 0.00 -0.81 0.42 0.05 0.00 0.00 179.01 178.67 1raa s ILE 273 N -4.16 1.36 0.68 -1.06 1.01 -1.26 0.10 121.20 117.88 1raa s ILE 273 Ca -0.04 -0.72 -0.12 0.00 0.00 0.00 0.00 60.65 59.77 1raa s ILE 273 Cb 0.11 -1.44 -0.00 0.00 0.01 0.00 0.00 42.46 41.14 1raa s ILE 273 CO 0.34 0.23 1.06 0.00 0.00 0.00 0.00 174.94 176.57 1raa s ALA 274 N 1.54 2.69 -0.33 9.38 0.00 -0.07 -4.91 121.76 130.06 1raa s ALA 274 Ca 0.01 0.14 0.11 0.00 0.00 0.00 0.00 51.96 52.22 1raa s ALA 274 Cb -0.15 -3.19 0.58 0.00 0.00 0.00 0.00 23.12 20.36 1raa s ALA 274 CO -0.08 -1.14 1.25 2.41 0.00 0.00 0.00 175.76 178.19 1raa n THR 275 N -2.92 1.08 0.44 0.00 -1.04 -1.26 -1.34 114.28 109.23 1raa n THR 275 Ca 0.08 0.65 0.11 0.00 -2.04 0.00 0.00 64.05 62.85 1raa n THR 275 Cb 0.53 -1.65 0.01 0.00 -1.82 0.00 0.00 70.33 67.40 1raa n THR 275 CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 1raa n ASP 276 N -1.86 0.60 0.18 8.00 5.68 -1.26 -3.06 116.55 124.83 1raa n ASP 276 Ca -0.01 -0.07 0.03 0.00 -0.50 0.00 0.00 54.79 54.23 1raa n ASP 276 Cb 0.16 0.80 0.37 0.00 -1.14 0.00 0.00 41.12 41.31 1raa n ASP 276 CO 0.00 0.00 0.00 0.58 -1.33 0.00 0.00 177.20 176.45 1raa h VAL 277 N 0.00 1.25 0.00 2.12 2.07 -1.55 -3.12 116.25 117.02 1raa h VAL 277 Ca 0.00 -1.18 -0.02 0.00 0.82 0.00 0.00 66.70 66.32 1raa h VAL 277 Cb 0.80 1.61 -0.00 0.00 -1.52 0.00 0.00 31.29 32.18 1raa h VAL 277 CO 0.00 0.34 -0.11 0.44 0.02 0.00 0.00 177.57 178.26 1raa h ASP 278 N 0.03 0.00 -0.07 0.57 5.19 -1.66 -1.07 116.42 119.41 1raa h ASP 278 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1raa h ASP 278 Cb 0.61 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.12 1raa h ASP 278 CO 0.04 0.11 0.00 0.29 -3.12 0.00 0.00 179.24 176.56 1raa n LYS 279 N -3.83 1.99 -2.22 3.56 5.02 -1.18 -4.82 118.16 116.67 1raa n LYS 279 Ca -0.02 -1.44 -0.28 0.00 -2.02 0.00 0.00 58.31 54.55 1raa n LYS 279 Cb 0.21 -1.47 0.04 0.00 -0.02 0.00 0.00 35.03 33.79 1raa n LYS 279 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1raa s THR 280 N -1.94 3.54 -0.63 -0.18 -4.23 -0.41 -4.96 115.64 106.84 1raa s THR 280 Ca 0.34 0.14 0.18 0.00 -1.18 0.00 0.00 61.69 61.17 1raa s THR 280 Cb 0.20 -3.44 0.18 0.00 1.34 0.00 0.00 72.50 70.78 1raa s THR 280 CO 0.31 -0.50 1.56 -0.81 -0.54 0.00 0.00 174.62 174.64 1raa n PRO 281 N -2.73 0.11 0.00 3.99 -0.04 -1.26 -3.22 135.00 131.85 1raa n PRO 281 Ca 0.05 0.42 0.13 0.00 -0.04 0.00 0.00 63.50 64.07 1raa n PRO 281 Cb 0.58 -1.75 0.51 0.00 -0.04 0.00 0.00 33.50 32.80 1raa n PRO 281 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1raa n HIS 282 N -1.96 0.00 -2.37 0.54 8.25 -1.26 -4.85 115.22 113.56 1raa n HIS 282 Ca 0.02 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.05 1raa n HIS 282 Cb 0.16 -0.36 -0.02 0.00 1.12 0.00 0.00 29.99 30.88 1raa n HIS 282 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1raa s ALA 283 N -2.89 3.31 0.00 -1.41 0.00 -1.20 0.55 121.76 120.12 1raa s ALA 283 Ca 0.16 0.11 0.00 0.00 0.00 0.00 0.00 51.96 52.23 1raa s ALA 283 Cb 0.19 -3.81 0.00 0.00 0.00 0.00 0.00 23.12 19.50 1raa s ALA 283 CO 0.57 -1.88 0.62 1.87 0.00 0.00 0.00 175.76 176.93 1raa n TRP 284 N 7.89 0.00 0.06 0.00 -0.00 -0.02 -4.83 117.44 120.54 1raa n TRP 284 Ca 0.15 -0.13 0.01 0.00 -0.00 0.00 0.00 57.50 57.53 1raa n TRP 284 Cb 0.47 -0.01 0.32 0.00 -0.00 0.00 0.00 31.31 32.09 1raa n TRP 284 CO 0.00 0.00 0.00 0.10 -0.00 0.00 0.00 177.69 177.79 1raa h TYR 285 N 0.00 0.40 -0.03 5.87 -0.00 -1.82 -0.48 116.97 120.91 1raa h TYR 285 Ca 0.00 -0.05 -0.18 0.00 -0.00 0.00 0.00 58.73 58.50 1raa h TYR 285 Cb 0.86 -0.11 0.01 0.00 -0.00 0.00 0.00 36.73 37.48 1raa h TYR 285 CO 0.00 0.48 -0.69 0.74 -0.00 0.00 0.00 178.16 178.69 1raa h PHE 286 N 0.36 0.76 -0.73 0.10 0.04 -1.91 -1.76 116.94 113.81 1raa h PHE 286 Ca 0.07 -0.39 0.04 0.00 2.80 0.00 0.00 57.97 60.49 1raa h PHE 286 Cb 0.40 -0.10 -0.04 0.00 2.20 0.00 0.00 35.95 38.41 1raa h PHE 286 CO 0.01 1.21 0.48 1.96 -0.60 0.00 0.00 178.31 181.37 1raa h GLN 287 N 0.10 0.83 0.55 1.51 7.50 -1.89 -1.60 115.11 122.11 1raa h GLN 287 Ca -0.08 -0.05 -0.02 0.00 0.50 0.00 0.00 58.65 59.00 1raa h GLN 287 Cb 1.37 -0.19 -0.01 0.00 0.05 0.00 0.00 27.48 28.71 1raa h GLN 287 CO 0.14 0.55 -0.35 0.37 -1.50 0.00 0.00 178.83 178.04 1raa h GLN 288 N 0.85 -0.82 -0.75 1.46 4.15 -1.05 -0.97 115.11 117.99 1raa h GLN 288 Ca 0.30 0.06 0.09 0.00 0.77 0.00 0.00 58.65 59.87 1raa h GLN 288 Cb 0.11 0.19 -0.05 0.00 0.21 0.00 0.00 27.48 27.94 1raa h GLN 288 CO -0.09 -0.55 0.49 0.00 -1.93 0.00 0.00 178.83 176.76 1raa h ALA 289 N -0.47 1.81 -0.73 3.38 0.00 -0.64 -0.17 119.26 122.44 1raa h ALA 289 Ca -0.06 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 1raa h ALA 289 Cb 0.70 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.30 1raa h ALA 289 CO 0.06 0.04 0.43 0.78 0.00 0.00 0.00 179.25 180.56 1raa h GLY 290 N 0.67 1.05 2.00 0.00 0.00 -1.17 -2.61 103.07 103.01 1raa h GLY 290 Ca 0.34 -0.43 0.00 0.00 0.00 0.00 0.00 47.33 47.24 1raa h GLY 290 CO -0.12 0.42 0.00 0.70 0.00 0.00 0.00 176.54 177.54 1raa n ASN 291 N -4.39 0.12 -0.12 0.19 3.02 -0.09 -1.78 115.26 112.21 1raa n ASN 291 Ca 0.08 0.52 0.06 0.00 -0.03 0.00 0.00 54.58 55.20 1raa n ASN 291 Cb 0.07 -0.55 0.38 0.00 -0.61 0.00 0.00 39.78 39.07 1raa n ASN 291 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 1raa h GLY 292 N 3.53 0.81 0.97 7.41 0.00 -1.26 -0.43 103.07 114.11 1raa h GLY 292 Ca 0.00 -0.27 -0.01 0.00 0.00 0.00 0.00 47.33 47.05 1raa h GLY 292 CO 0.00 0.23 0.24 -2.22 0.00 0.00 0.00 176.54 174.78 1raa h ILE 293 N 0.69 1.15 0.08 2.60 1.08 -1.50 -1.81 117.51 119.81 1raa h ILE 293 Ca 0.26 -0.39 -0.25 0.00 -0.39 0.00 0.00 64.86 64.08 1raa h ILE 293 Cb 0.15 0.64 -0.01 0.00 -3.07 0.00 0.00 36.82 34.53 1raa h ILE 293 CO -0.07 0.16 -1.17 -0.26 -0.69 0.00 0.00 178.15 176.12 1raa h PHE 294 N 0.56 0.32 -0.60 1.37 0.04 -1.47 0.44 116.94 117.59 1raa h PHE 294 Ca 0.15 -0.23 -0.07 0.00 2.80 0.00 0.00 57.97 60.62 1raa h PHE 294 Cb 0.05 -0.01 -0.02 0.00 2.20 0.00 0.00 35.95 38.16 1raa h PHE 294 CO -0.02 1.18 0.12 0.00 -0.60 0.00 0.00 178.31 178.99 1raa h ALA 295 N 0.73 0.80 0.07 2.45 0.00 -1.04 -2.26 119.26 120.00 1raa h ALA 295 Ca -0.09 -0.25 -0.25 0.00 0.00 0.00 0.00 54.91 54.32 1raa h ALA 295 Cb 1.90 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 19.45 1raa h ALA 295 CO 0.18 0.53 -1.19 0.00 0.00 0.00 0.00 179.25 178.77 1raa h ARG 296 N 0.89 0.14 -0.27 0.00 3.08 -1.16 -2.70 114.38 114.37 1raa h ARG 296 Ca 0.19 -0.24 0.06 0.00 0.07 0.00 0.00 59.98 60.06 1raa h ARG 296 Cb 0.39 0.09 -0.07 0.00 0.08 0.00 0.00 29.97 30.46 1raa h ARG 296 CO 0.01 1.09 -0.20 1.96 -1.07 0.00 0.00 179.97 181.76 1raa h GLN 297 N 0.04 -0.18 -0.97 0.04 4.20 -0.95 -2.46 115.11 114.84 1raa h GLN 297 Ca -0.10 0.01 0.08 0.00 0.06 0.00 0.00 58.65 58.71 1raa h GLN 297 Cb 1.89 0.04 -0.07 0.00 0.30 0.00 0.00 27.48 29.64 1raa h GLN 297 CO 0.16 -0.12 0.61 0.00 -0.67 0.00 0.00 178.83 178.82 1raa h ALA 298 N 0.95 1.38 -0.39 3.87 0.00 -1.22 -1.62 119.26 122.24 1raa h ALA 298 Ca 0.15 -0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.90 1raa h ALA 298 Cb 0.40 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1raa h ALA 298 CO -0.38 0.33 -0.35 1.25 0.00 0.00 0.00 179.25 180.10 1raa h LEU 299 N 1.06 0.97 -0.84 0.00 5.85 -1.29 -1.22 115.31 119.84 1raa h LEU 299 Ca 0.44 -0.46 -0.10 0.00 0.84 0.00 0.00 57.88 58.60 1raa h LEU 299 Cb 0.28 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.02 1raa h LEU 299 CO -0.21 1.23 -0.19 -0.07 -0.34 0.00 0.00 178.44 178.86 1raa h LEU 300 N 0.73 0.65 -0.04 2.25 3.38 -1.07 -1.47 115.31 119.74 1raa h LEU 300 Ca 0.07 -0.21 -0.04 0.00 0.09 0.00 0.00 57.88 57.78 1raa h LEU 300 Cb 0.94 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.51 1raa h LEU 300 CO 0.09 0.84 -0.14 0.00 0.09 0.00 0.00 178.44 179.33 1raa h ALA 301 N 1.21 0.06 -0.76 1.53 0.00 -1.09 -2.03 119.26 118.18 1raa h ALA 301 Ca 0.09 -0.37 -0.02 0.00 0.00 0.00 0.00 54.91 54.61 1raa h ALA 301 Cb 0.65 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.40 1raa h ALA 301 CO 0.05 -0.02 0.38 -0.07 0.00 0.00 0.00 179.25 179.59 1raa h LEU 302 N -0.42 0.97 -0.19 0.00 3.38 -1.18 -0.66 115.31 117.22 1raa h LEU 302 Ca -0.01 -0.10 -0.10 0.00 0.09 0.00 0.00 57.88 57.77 1raa h LEU 302 Cb 0.78 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.28 1raa h LEU 302 CO 0.03 0.81 -0.26 0.58 0.09 0.00 0.00 178.44 179.69 1raa h VAL 303 N 1.08 1.34 0.00 1.22 2.07 -1.28 -3.23 116.25 117.45 1raa h VAL 303 Ca 0.27 -1.46 0.00 0.00 0.82 0.00 0.00 66.70 66.32 1raa h VAL 303 Cb 0.08 1.84 0.00 0.00 -1.52 0.00 0.00 31.29 31.69 1raa h VAL 303 CO -0.04 0.44 -0.62 0.18 0.02 0.00 0.00 177.57 177.56 1raa n LEU 304 N -4.39 0.57 -4.23 2.57 4.77 -0.77 -1.21 117.00 114.32 1raa n LEU 304 Ca -0.06 0.03 -0.32 0.00 -0.03 0.00 0.00 56.01 55.63 1raa n LEU 304 Cb 0.45 -0.21 -0.17 0.00 -2.33 0.00 0.00 43.42 41.16 1raa n LEU 304 CO 0.42 0.08 -0.56 0.21 -1.33 0.00 0.00 177.39 176.22 1raa s ASN 305 N -3.38 3.06 0.09 -1.43 3.84 -0.26 -4.99 114.94 111.87 1raa s ASN 305 Ca 0.09 -0.54 -0.17 0.00 0.21 0.00 0.00 52.86 52.45 1raa s ASN 305 Cb 0.16 -1.21 -0.08 0.00 -0.55 0.00 0.00 41.25 39.57 1raa s ASN 305 CO 0.72 0.19 1.47 0.03 -2.79 0.00 0.00 177.10 176.72 1raa h ARG 306 N 6.49 0.53 -4.82 0.43 3.08 -1.86 -3.42 114.38 114.82 1raa h ARG 306 Ca -0.23 -0.22 -0.42 0.00 0.07 0.00 0.00 59.98 59.18 1raa h ARG 306 Cb 1.22 -0.02 -0.29 0.00 0.08 0.00 0.00 29.97 30.95 1raa h ARG 306 CO 0.47 0.76 -0.79 -0.51 -1.07 0.00 0.00 179.97 178.84 1raa s ASP 307 N -6.17 1.23 -0.15 7.04 1.01 -1.26 0.74 116.67 119.10 1raa s ASP 307 Ca -0.13 -0.19 -0.01 0.00 0.71 0.00 0.00 52.55 52.92 1raa s ASP 307 Cb 0.08 -0.19 0.04 0.00 1.01 0.00 0.00 42.92 43.87 1raa s ASP 307 CO 0.78 0.11 -0.01 -0.22 0.21 0.00 0.00 175.17 176.04 1raa s LEU 308 N -0.14 1.24 -0.71 1.23 2.96 -1.26 -5.03 118.68 116.97 1raa s LEU 308 Ca 0.02 -0.57 0.05 0.00 -0.22 0.00 0.00 54.13 53.41 1raa s LEU 308 Cb -0.05 -0.70 0.17 0.00 0.50 0.00 0.00 46.19 46.11 1raa s LEU 308 CO -0.00 -0.22 0.50 -0.69 -1.32 0.00 0.00 176.35 174.61 1raa s VAL 309 N 1.78 2.94 -0.21 1.68 1.01 -1.26 -5.15 120.40 121.18 1raa s VAL 309 Ca 0.01 -4.27 0.02 0.00 0.00 0.00 0.00 61.98 57.74 1raa s VAL 309 Cb -0.15 -2.93 0.01 0.00 0.00 0.00 0.00 36.38 33.32 1raa s VAL 309 CO -0.07 -1.01 0.55 0.00 0.00 0.00 0.00 175.10 174.58