#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 6.37 0.57 0.00 2.20 0.23 -4.98 114.94 119.33 1raa s ASN 2 Ca 0.00 1.31 0.32 0.00 -0.94 0.00 0.00 52.86 53.54 1raa s ASN 2 Cb 0.00 -2.41 1.72 0.00 -2.00 0.00 0.00 41.25 38.56 1raa s ASN 2 CO 0.00 -0.67 2.17 1.55 -2.94 0.00 0.00 177.10 177.21 1raa h PRO 3 N 0.31 0.00 -0.01 3.55 0.13 -1.94 -1.61 132.00 132.43 1raa h PRO 3 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1raa h PRO 3 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1raa h PRO 3 CO 0.62 0.06 -0.21 1.28 -0.23 0.00 0.00 178.00 179.52 1raa n LEU 4 N -3.55 1.18 -4.68 1.56 4.77 -1.26 -4.87 117.00 110.15 1raa n LEU 4 Ca -0.02 -0.34 -0.49 0.00 -0.03 0.00 0.00 56.01 55.13 1raa n LEU 4 Cb 0.17 -0.09 -0.05 0.00 -2.33 0.00 0.00 43.42 41.12 1raa n LEU 4 CO 0.27 0.21 1.37 0.00 -1.33 0.00 0.00 177.39 177.92 1raa n TYR 5 N -0.43 2.25 -2.97 -1.77 9.36 -0.61 -1.10 117.16 121.89 1raa n TYR 5 Ca 0.14 0.15 -0.21 0.00 3.32 0.00 0.00 57.90 61.29 1raa n TYR 5 Cb 0.36 -2.60 0.02 0.00 -0.63 0.00 0.00 39.34 36.48 1raa n TYR 5 CO 0.00 0.00 0.00 0.94 0.22 0.00 0.00 176.86 178.02 1raa n GLN 6 N 5.48 -3.86 -3.76 2.98 7.27 -0.31 -4.99 117.38 120.19 1raa n GLN 6 Ca 0.21 0.78 -0.30 0.00 0.07 0.00 0.00 57.00 57.77 1raa n GLN 6 Cb 0.27 -5.56 -0.04 0.00 2.41 0.00 0.00 30.24 27.32 1raa n GLN 6 CO 0.00 0.00 0.00 0.21 0.07 0.00 0.00 177.06 177.34 1raa s LYS 7 N -5.63 3.53 -0.22 3.69 2.20 -0.26 -4.82 119.74 118.23 1raa s LYS 7 Ca 0.26 -0.28 -0.19 0.00 -0.36 0.00 0.00 55.97 55.40 1raa s LYS 7 Cb -0.12 -2.90 -0.03 0.00 -1.51 0.00 0.00 37.83 33.26 1raa s LYS 7 CO 0.32 0.49 0.55 -1.01 -0.36 0.00 0.00 175.35 175.34 1raa s HIS 8 N -1.68 3.35 -0.65 4.03 3.76 -1.26 -4.61 115.29 118.22 1raa s HIS 8 Ca 0.38 0.78 -0.17 0.00 -0.15 0.00 0.00 55.06 55.91 1raa s HIS 8 Cb -0.12 -2.72 0.14 0.00 1.11 0.00 0.00 32.58 30.99 1raa s HIS 8 CO 0.27 -0.17 0.69 0.42 -0.85 0.00 0.00 174.74 175.10 1raa s ILE 9 N 1.89 5.10 -0.06 0.60 1.09 -0.97 -4.80 121.20 124.05 1raa s ILE 9 Ca 0.25 -1.51 0.00 0.00 -1.10 0.00 0.00 60.65 58.29 1raa s ILE 9 Cb -0.16 -4.46 -0.04 0.00 -1.06 0.00 0.00 42.46 36.74 1raa s ILE 9 CO 0.10 -1.06 -0.06 -0.38 -0.10 0.00 0.00 174.94 173.44 1raa n ILE 10 N 5.12 0.36 -4.06 2.92 5.41 -1.26 -0.82 119.36 127.04 1raa n ILE 10 Ca -0.03 -0.13 -0.10 0.00 1.00 0.00 0.00 62.75 63.48 1raa n ILE 10 Cb 0.43 -0.78 -0.11 0.00 -0.71 0.00 0.00 39.64 38.48 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 -4.67 0.65 0.28 4.38 0.15 -1.26 -4.65 113.70 108.58 1raa s SER 11 Ca -0.09 -0.67 0.06 0.00 0.70 0.00 0.00 55.95 55.95 1raa s SER 11 Cb 0.02 0.09 0.42 0.00 -1.71 0.00 0.00 66.02 64.84 1raa s SER 11 CO 0.14 -0.33 1.68 0.40 1.20 0.00 0.00 173.24 176.33 1raa h ILE 12 N 4.12 1.31 0.00 6.45 1.08 -1.95 -2.09 117.51 126.43 1raa h ILE 12 Ca -0.34 -1.56 0.00 0.00 -0.39 0.00 0.00 64.86 62.57 1raa h ILE 12 Cb 1.19 1.70 0.00 0.00 -3.07 0.00 0.00 36.82 36.64 1raa h ILE 12 CO 0.48 0.47 0.00 0.59 -0.69 0.00 0.00 178.15 179.00 1raa n ASN 13 N -4.01 0.60 -0.83 1.72 4.13 -1.26 -0.92 115.26 114.68 1raa n ASN 13 Ca -0.02 0.74 0.11 0.00 1.68 0.00 0.00 54.58 57.10 1raa n ASN 13 Cb 0.49 -0.83 0.07 0.00 -1.54 0.00 0.00 39.78 37.97 1raa n ASN 13 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 1raa n ASP 14 N -2.26 2.73 -4.53 6.41 8.00 -0.79 -4.88 116.55 121.24 1raa n ASP 14 Ca -0.00 -1.87 -0.34 0.00 0.71 0.00 0.00 54.79 53.29 1raa n ASP 14 Cb 0.09 0.11 -0.11 0.00 -0.02 0.00 0.00 41.12 41.18 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 -2.06 3.42 0.94 0.64 1.43 -0.09 -5.05 118.68 117.92 1raa s LEU 15 Ca 0.25 -0.08 -0.15 0.00 -1.03 0.00 0.00 54.13 53.12 1raa s LEU 15 Cb 0.19 -1.85 0.18 0.00 0.03 0.00 0.00 46.19 44.74 1raa s LEU 15 CO 0.35 0.15 1.27 -0.94 0.23 0.00 0.00 176.35 177.42 1raa s SER 16 N 0.48 3.28 0.17 2.29 1.04 -1.26 -4.87 113.70 114.83 1raa s SER 16 Ca -0.01 0.42 -0.13 0.00 0.48 0.00 0.00 55.95 56.72 1raa s SER 16 Cb -0.14 -0.59 0.06 0.00 0.10 0.00 0.00 66.02 65.45 1raa s SER 16 CO 0.02 -2.64 1.72 -0.09 0.98 0.00 0.00 173.24 173.23 1raa h ARG 17 N -1.58 0.84 -0.38 4.02 2.43 -1.98 -0.32 114.38 117.41 1raa h ARG 17 Ca -0.45 -0.15 -0.08 0.00 -0.81 0.00 0.00 59.98 58.49 1raa h ARG 17 Cb 1.26 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 30.66 1raa h ARG 17 CO 0.44 0.73 -0.09 -0.44 -1.51 0.00 0.00 179.97 179.11 1raa h ASP 18 N 0.77 0.63 0.03 -3.80 3.32 -1.98 0.10 116.42 115.50 1raa h ASP 18 Ca 0.19 -0.17 -0.00 0.00 0.02 0.00 0.00 57.03 57.07 1raa h ASP 18 Cb 0.20 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.58 1raa h ASP 18 CO -0.02 0.76 -0.02 0.44 -1.72 0.00 0.00 179.24 178.69 1raa h ASP 19 N 0.60 -0.04 -0.52 6.45 3.32 -1.74 -0.78 116.42 123.70 1raa h ASP 19 Ca 0.11 -0.29 0.04 0.00 0.02 0.00 0.00 57.03 56.91 1raa h ASP 19 Cb 0.51 0.01 -0.04 0.00 0.22 0.00 0.00 39.33 40.02 1raa h ASP 19 CO 0.03 0.27 0.28 -0.07 -1.72 0.00 0.00 179.24 178.03 1raa h LEU 20 N -0.35 0.43 -0.54 1.55 3.38 -0.40 -1.97 115.31 117.41 1raa h LEU 20 Ca -0.00 0.02 -0.11 0.00 0.09 0.00 0.00 57.88 57.88 1raa h LEU 20 Cb 0.33 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 1raa h LEU 20 CO 0.01 0.29 -0.09 0.78 0.09 0.00 0.00 178.44 179.52 1raa h ASN 21 N 0.55 1.02 -0.34 -0.43 -0.26 -0.76 -1.87 115.58 113.49 1raa h ASN 21 Ca 0.23 -0.35 0.06 0.00 -0.56 0.00 0.00 56.30 55.68 1raa h ASN 21 Cb 0.10 -0.28 -0.05 0.00 -1.06 0.00 0.00 38.32 37.03 1raa h ASN 21 CO -0.14 1.12 0.01 0.25 -1.06 0.00 0.00 177.43 177.61 1raa h LEU 22 N 0.89 -0.12 -0.76 1.61 5.85 -0.43 0.20 115.31 122.55 1raa h LEU 22 Ca 0.14 0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.94 1raa h LEU 22 Cb 0.66 0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.78 1raa h LEU 22 CO 0.05 -0.02 0.48 0.58 -0.34 0.00 0.00 178.44 179.18 1raa h VAL 23 N 0.11 1.21 0.00 1.05 2.07 -1.31 -0.86 116.25 118.51 1raa h VAL 23 Ca 0.17 -0.43 -0.10 0.00 0.82 0.00 0.00 66.70 67.16 1raa h VAL 23 Cb 0.22 0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.10 1raa h VAL 23 CO -0.27 0.21 -0.48 -0.07 0.02 0.00 0.00 177.57 176.98 1raa h LEU 24 N 1.04 0.00 -0.26 2.57 4.07 -0.34 -0.78 115.31 121.61 1raa h LEU 24 Ca 0.28 0.00 -0.20 0.00 0.08 0.00 0.00 57.88 58.04 1raa h LEU 24 Cb -0.07 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 41.65 1raa h LEU 24 CO -0.06 0.48 -0.89 0.00 -1.08 0.00 0.00 178.44 176.90 1raa h ALA 25 N 1.52 0.51 -0.26 1.53 0.00 0.19 -3.10 119.26 119.65 1raa h ALA 25 Ca -0.00 -0.75 -0.15 0.00 0.00 0.00 0.00 54.91 54.00 1raa h ALA 25 Cb 1.15 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 1raa h ALA 25 CO 0.06 0.97 -0.44 1.15 0.00 0.00 0.00 179.25 181.00 1raa h THR 26 N 0.07 1.30 -0.88 0.00 2.02 -0.67 -2.72 112.91 112.03 1raa h THR 26 Ca -0.04 -1.63 -0.02 0.00 0.77 0.00 0.00 66.41 65.49 1raa h THR 26 Cb 1.54 1.56 -0.04 0.00 -1.74 0.00 0.00 68.15 69.47 1raa h THR 26 CO 0.13 0.52 0.45 0.00 0.37 0.00 0.00 175.52 176.99 1raa h ALA 27 N 0.98 1.14 -0.57 6.16 0.00 -1.14 -1.85 119.26 123.98 1raa h ALA 27 Ca 0.04 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 1raa h ALA 27 Cb 0.98 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 1raa h ALA 27 CO 0.09 0.67 0.28 0.00 0.00 0.00 0.00 179.25 180.29 1raa h ALA 28 N 1.25 0.73 -0.04 0.00 0.00 -1.46 0.19 119.26 119.95 1raa h ALA 28 Ca 0.31 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 1raa h ALA 28 Cb 0.07 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 1raa h ALA 28 CO -0.04 0.29 0.00 0.87 0.00 0.00 0.00 179.25 180.36 1raa h LYS 29 N 0.77 0.06 0.00 0.00 1.57 -1.07 -1.29 116.57 116.61 1raa h LYS 29 Ca 0.20 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.96 1raa h LYS 29 Cb 0.10 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.41 1raa h LYS 29 CO -0.03 0.34 -0.00 -0.07 -0.57 0.00 0.00 179.45 179.12 1raa h LEU 30 N -0.22 0.00 -0.32 2.94 3.38 -1.22 0.54 115.31 120.41 1raa h LEU 30 Ca 0.01 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.78 1raa h LEU 30 Cb 0.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.06 1raa h LEU 30 CO 0.00 0.00 -0.69 0.50 0.09 0.00 0.00 178.44 178.34 1raa h LYS 31 N 0.00 0.65 0.10 1.13 3.64 -0.47 -3.31 116.57 118.31 1raa h LYS 31 Ca -0.00 -0.49 -0.00 0.00 -1.27 0.00 0.00 60.65 58.88 1raa h LYS 31 Cb 0.00 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 31.91 1raa h LYS 31 CO 0.00 1.11 -0.05 0.00 -2.27 0.00 0.00 179.45 178.24 1raa h ALA 32 N 0.76 -0.15 -3.61 5.00 0.00 0.21 -3.44 119.26 118.03 1raa h ALA 32 Ca -0.03 -0.03 -0.68 0.00 0.00 0.00 0.00 54.91 54.18 1raa h ALA 32 Cb 1.28 0.05 -0.36 0.00 0.00 0.00 0.00 17.79 18.77 1raa h ALA 32 CO 0.13 -0.14 -0.72 1.21 0.00 0.00 0.00 179.25 179.74 1raa s ASN 33 N -5.03 4.77 0.73 0.00 3.04 0.17 -5.09 114.94 113.54 1raa s ASN 33 Ca -0.02 -1.62 -0.14 0.00 0.04 0.00 0.00 52.86 51.12 1raa s ASN 33 Cb 0.00 -1.66 0.04 0.00 -1.54 0.00 0.00 41.25 38.09 1raa s ASN 33 CO 0.06 -0.30 1.16 -2.16 -3.04 0.00 0.00 177.10 172.81 1raa s PRO 34 N 1.11 2.27 -0.52 0.43 0.04 -1.25 -4.35 135.00 132.74 1raa s PRO 34 Ca -0.01 1.56 0.04 0.00 0.04 0.00 0.00 61.00 62.63 1raa s PRO 34 Cb -0.20 -1.87 0.17 0.00 0.04 0.00 0.00 34.50 32.64 1raa s PRO 34 CO -0.04 -1.69 0.41 1.04 0.04 0.00 0.00 177.00 176.75 1raa n GLN 35 N -2.83 0.80 0.00 4.56 1.13 -1.26 -4.99 117.38 114.79 1raa n GLN 35 Ca 0.12 -3.65 0.12 0.00 -1.94 0.00 0.00 57.00 51.65 1raa n GLN 35 Cb 0.51 -1.88 0.63 0.00 0.11 0.00 0.00 30.24 29.62 1raa n GLN 35 CO 0.00 0.00 0.00 -0.35 -1.44 0.00 0.00 177.06 175.27 1raa n PRO 36 N 2.46 0.44 -0.09 -1.09 -0.04 -1.26 -2.24 135.00 133.18 1raa n PRO 36 Ca 0.26 0.05 0.01 0.00 -0.04 0.00 0.00 63.50 63.79 1raa n PRO 36 Cb 0.44 -1.50 0.02 0.00 -0.04 0.00 0.00 33.50 32.42 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 -1.22 1.17 -0.35 0.54 -0.58 -1.25 -2.37 120.64 116.59 1raa n GLU 37 Ca 0.13 -1.21 -0.03 0.00 -0.42 0.00 0.00 57.16 55.63 1raa n GLU 37 Cb 0.17 -0.81 0.09 0.00 -0.57 0.00 0.00 31.44 30.32 1raa n GLU 37 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 1raa h LEU 38 N 0.00 1.11 -3.85 -4.62 5.85 -1.33 -2.51 115.31 109.97 1raa h LEU 38 Ca 0.00 -0.06 -0.49 0.00 0.84 0.00 0.00 57.88 58.16 1raa h LEU 38 Cb 0.90 -0.28 -0.27 0.00 0.37 0.00 0.00 40.66 41.38 1raa h LEU 38 CO 0.00 0.85 0.47 0.18 -0.34 0.00 0.00 178.44 179.60 1raa n LEU 39 N -4.38 6.35 -4.70 2.25 4.77 0.51 -5.00 117.00 116.80 1raa n LEU 39 Ca 0.10 -3.89 -0.44 0.00 -0.03 0.00 0.00 56.01 51.76 1raa n LEU 39 Cb 0.05 -0.80 -0.02 0.00 -2.33 0.00 0.00 43.42 40.32 1raa n LEU 39 CO 0.38 1.26 1.07 1.17 -1.33 0.00 0.00 177.39 179.94 1raa n LYS 40 N -1.06 2.25 -0.46 3.23 4.81 -0.95 -1.45 118.16 124.53 1raa n LYS 40 Ca 0.54 0.80 0.00 0.00 -0.87 0.00 0.00 58.31 58.78 1raa n LYS 40 Cb 1.25 -2.49 0.00 0.00 0.02 0.00 0.00 35.03 33.82 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 1.79 0.00 -2.80 5.64 8.25 -1.26 -4.98 115.22 121.86 1raa n HIS 41 Ca 0.10 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.23 1raa n HIS 41 Cb 0.34 -0.28 -0.07 0.00 1.12 0.00 0.00 29.99 31.10 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 -0.11 4.20 -0.08 -0.41 -0.14 -0.53 -4.98 119.74 117.68 1raa s LYS 42 Ca 0.00 1.09 0.02 0.00 -1.36 0.00 0.00 55.97 55.72 1raa s LYS 42 Cb 0.00 -2.19 0.01 0.00 -1.68 0.00 0.00 37.83 33.98 1raa s LYS 42 CO 0.00 -0.04 -0.14 0.08 -0.76 0.00 0.00 175.35 174.49 1raa s VAL 43 N -2.21 1.28 0.05 3.17 1.01 -1.26 -2.38 120.40 120.06 1raa s VAL 43 Ca 0.61 -0.54 0.07 0.00 0.00 0.00 0.00 61.98 62.12 1raa s VAL 43 Cb -0.09 -1.16 -0.03 0.00 0.00 0.00 0.00 36.38 35.09 1raa s VAL 43 CO 0.15 0.39 -0.17 -0.63 0.00 0.00 0.00 175.10 174.84 1raa s ILE 44 N 0.76 2.89 -0.08 2.22 1.09 0.52 -0.94 121.20 127.66 1raa s ILE 44 Ca -0.12 -1.21 -0.13 0.00 -1.10 0.00 0.00 60.65 58.09 1raa s ILE 44 Cb -0.16 -2.24 -0.05 0.00 -1.06 0.00 0.00 42.46 38.95 1raa s ILE 44 CO 0.03 0.29 0.33 0.00 -0.10 0.00 0.00 174.94 175.49 1raa s ALA 45 N -0.98 3.68 -0.64 9.38 0.00 -0.71 -2.08 121.76 130.42 1raa s ALA 45 Ca 0.16 -0.37 0.01 0.00 0.00 0.00 0.00 51.96 51.76 1raa s ALA 45 Cb -0.11 -2.33 0.16 0.00 0.00 0.00 0.00 23.12 20.85 1raa s ALA 45 CO 0.07 0.35 0.43 0.45 0.00 0.00 0.00 175.76 177.06 1raa s SER 46 N -0.47 4.93 -0.60 0.00 0.15 -0.74 -0.67 113.70 116.30 1raa s SER 46 Ca 0.20 -3.23 -0.21 0.00 0.70 0.00 0.00 55.95 53.42 1raa s SER 46 Cb -0.15 -1.74 0.08 0.00 -1.71 0.00 0.00 66.02 62.50 1raa s SER 46 CO 0.08 -0.24 0.80 0.00 1.20 0.00 0.00 173.24 175.09 1raa s PHE 48 N 3.26 3.50 -0.11 0.00 0.40 -0.50 -1.64 117.98 122.89 1raa s PHE 48 Ca 0.17 -2.61 0.30 0.00 -0.60 0.00 0.00 56.93 54.19 1raa s PHE 48 Cb -0.20 -3.18 1.08 0.00 0.51 0.00 0.00 43.02 41.23 1raa s PHE 48 CO 0.10 -0.90 1.87 0.74 0.70 0.00 0.00 175.22 177.72 1raa h PHE 49 N 7.52 0.00 -3.74 0.36 -1.00 -1.67 -2.28 116.94 116.14 1raa h PHE 49 Ca -0.08 0.00 -0.67 0.00 2.81 0.00 0.00 57.97 60.03 1raa h PHE 49 Cb 1.00 0.00 -0.32 0.00 3.61 0.00 0.00 35.95 40.24 1raa h PHE 49 CO 0.61 0.00 -0.88 -2.00 -1.61 0.00 0.00 178.31 174.43 1raa s GLU 50 N -3.51 2.63 0.44 1.51 2.12 -1.26 -3.81 118.70 116.82 1raa s GLU 50 Ca 0.03 -0.85 -0.24 0.00 0.36 0.00 0.00 54.97 54.27 1raa s GLU 50 Cb 0.08 -2.13 -0.08 0.00 0.26 0.00 0.00 34.13 32.27 1raa s GLU 50 CO 0.56 0.28 1.14 0.00 -0.54 0.00 0.00 175.26 176.70 1raa s ALA 51 N 0.07 3.03 -0.40 6.30 0.00 -1.14 -4.69 121.76 124.92 1raa s ALA 51 Ca -0.10 0.89 0.06 0.00 0.00 0.00 0.00 51.96 52.82 1raa s ALA 51 Cb -0.15 -3.36 0.17 0.00 0.00 0.00 0.00 23.12 19.78 1raa s ALA 51 CO 0.05 -0.54 0.55 0.45 0.00 0.00 0.00 175.76 176.28 1raa s SER 52 N -1.36 -0.67 0.14 0.00 0.15 -1.26 -5.04 113.70 105.65 1raa s SER 52 Ca 0.61 -1.12 -0.21 0.00 0.70 0.00 0.00 55.95 55.94 1raa s SER 52 Cb -0.28 1.50 0.01 0.00 -1.71 0.00 0.00 66.02 65.55 1raa s SER 52 CO 0.34 -0.19 1.67 0.74 1.20 0.00 0.00 173.24 177.00 1raa h THR 53 N 5.00 0.59 -0.18 6.45 2.02 -1.98 -1.95 112.91 122.86 1raa h THR 53 Ca 0.06 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.27 1raa h THR 53 Cb 1.13 0.59 -0.07 0.00 -1.74 0.00 0.00 68.15 68.07 1raa h THR 53 CO 0.13 0.00 -0.51 0.03 0.37 0.00 0.00 175.52 175.54 1raa h ARG 54 N -0.13 -0.51 -0.42 6.66 2.47 -1.99 0.12 114.38 120.58 1raa h ARG 54 Ca 0.12 0.03 -0.06 0.00 -1.26 0.00 0.00 59.98 58.82 1raa h ARG 54 Cb 0.31 0.12 -0.02 0.00 -1.65 0.00 0.00 29.97 28.73 1raa h ARG 54 CO -0.30 -0.34 0.02 1.15 0.56 0.00 0.00 179.97 181.07 1raa h THR 55 N -0.53 1.22 0.03 2.04 2.02 -1.95 -2.26 112.91 113.47 1raa h THR 55 Ca 0.05 -0.86 -0.00 0.00 0.77 0.00 0.00 66.41 66.37 1raa h THR 55 Cb 0.66 0.87 0.00 0.00 -1.74 0.00 0.00 68.15 67.94 1raa h THR 55 CO -0.46 0.30 -0.01 -0.09 0.37 0.00 0.00 175.52 175.63 1raa h ARG 56 N 0.63 -0.03 -0.72 6.66 2.43 -0.87 -1.26 114.38 121.22 1raa h ARG 56 Ca 0.13 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.30 1raa h ARG 56 Cb 0.36 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.88 1raa h ARG 56 CO 0.01 0.44 0.42 -0.07 -1.51 0.00 0.00 179.97 179.27 1raa h LEU 57 N -0.52 0.86 -0.37 3.80 3.38 -0.56 -0.56 115.31 121.34 1raa h LEU 57 Ca -0.00 -0.05 -0.19 0.00 0.09 0.00 0.00 57.88 57.73 1raa h LEU 57 Cb 0.49 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.02 1raa h LEU 57 CO 0.01 0.67 -0.67 -1.28 0.09 0.00 0.00 178.44 177.25 1raa h SER 58 N 0.99 0.67 0.16 -0.43 0.87 -1.31 -1.62 113.55 112.88 1raa h SER 58 Ca 0.26 -0.41 -0.01 0.00 -1.23 0.00 0.00 61.79 60.40 1raa h SER 58 Cb -0.02 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 61.74 1raa h SER 58 CO -0.05 1.16 -0.08 0.15 -0.53 0.00 0.00 176.83 177.48 1raa h PHE 59 N 0.41 -0.20 -0.50 2.24 3.04 -0.77 -1.44 116.94 119.73 1raa h PHE 59 Ca -0.02 -0.00 -0.03 0.00 3.98 0.00 0.00 57.97 61.89 1raa h PHE 59 Cb 1.25 0.07 -0.02 0.00 2.56 0.00 0.00 35.95 39.81 1raa h PHE 59 CO 0.06 0.15 0.17 0.93 -2.02 0.00 0.00 178.31 177.60 1raa h GLU 60 N -0.58 0.73 -0.28 1.11 5.08 -1.09 -0.40 114.58 119.15 1raa h GLU 60 Ca -0.02 -0.12 -0.02 0.00 -1.00 0.00 0.00 59.36 58.20 1raa h GLU 60 Cb 0.44 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 1raa h GLU 60 CO 0.04 0.62 0.09 1.15 -1.00 0.00 0.00 179.01 179.91 1raa h THR 61 N 0.72 1.20 -0.90 1.13 2.02 -1.21 0.52 112.91 116.39 1raa h THR 61 Ca 0.17 -0.63 0.18 0.00 0.77 0.00 0.00 66.41 66.90 1raa h THR 61 Cb 0.19 1.08 -0.07 0.00 -1.74 0.00 0.00 68.15 67.61 1raa h THR 61 CO -0.01 0.21 0.58 0.28 0.37 0.00 0.00 175.52 176.95 1raa h SER 62 N 0.30 0.51 0.15 4.18 0.02 0.03 0.31 113.55 119.06 1raa h SER 62 Ca 0.09 0.05 -0.29 0.00 -0.84 0.00 0.00 61.79 60.79 1raa h SER 62 Cb 0.24 -0.05 0.03 0.00 0.14 0.00 0.00 62.40 62.75 1raa h SER 62 CO -0.00 0.22 -1.22 0.24 -1.14 0.00 0.00 176.83 174.93 1raa h MET 63 N 0.52 0.61 -0.61 3.45 2.07 -0.73 -3.18 114.93 117.06 1raa h MET 63 Ca 0.47 -0.79 -0.08 0.00 -2.07 0.00 0.00 59.70 57.23 1raa h MET 63 Cb 0.99 0.26 -0.02 0.00 -1.87 0.00 0.00 31.60 30.96 1raa h MET 63 CO -0.20 1.36 0.07 0.45 1.07 0.00 0.00 176.91 179.66 1raa h HIS 64 N 0.28 1.08 0.00 -0.22 3.86 0.14 -1.69 115.15 118.60 1raa h HIS 64 Ca -0.18 -0.15 0.00 0.00 -1.16 0.00 0.00 60.37 58.88 1raa h HIS 64 Cb 1.89 -0.30 0.00 0.00 1.06 0.00 0.00 27.41 30.06 1raa h HIS 64 CO 0.11 0.93 0.00 0.54 0.86 0.00 0.00 177.93 180.36 1raa n ARG 65 N -4.21 0.35 -0.08 2.45 1.74 0.84 -0.97 116.66 116.78 1raa n ARG 65 Ca 0.04 0.08 0.03 0.00 -0.77 0.00 0.00 57.85 57.22 1raa n ARG 65 Cb 0.30 -1.50 0.07 0.00 -1.02 0.00 0.00 32.46 30.31 1raa n ARG 65 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1raa n LEU 66 N -1.15 2.41 0.00 0.55 4.77 -0.99 -4.15 117.00 118.44 1raa n LEU 66 Ca 0.09 -1.97 0.00 0.00 -0.03 0.00 0.00 56.01 54.10 1raa n LEU 66 Cb 0.09 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.07 1raa n LEU 66 CO 0.10 0.60 0.00 0.61 -1.33 0.00 0.00 177.39 177.37 1raa n GLY 67 N -0.01 0.81 3.90 -0.72 0.00 -0.14 -0.37 105.19 108.67 1raa n GLY 67 Ca 0.05 -0.01 -0.28 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.00 3.53 0.34 4.61 0.00 -0.67 -3.87 121.76 123.70 1raa s ALA 68 Ca 0.00 -0.50 -0.10 0.00 0.00 0.00 0.00 51.96 51.36 1raa s ALA 68 Cb 0.00 -2.42 -0.07 0.00 0.00 0.00 0.00 23.12 20.63 1raa s ALA 68 CO 0.00 0.07 0.69 -1.12 0.00 0.00 0.00 175.76 175.40 1raa s SER 69 N -3.39 6.57 -0.06 0.00 0.01 -1.00 -4.36 113.70 111.46 1raa s SER 69 Ca 0.46 1.05 0.04 0.00 1.31 0.00 0.00 55.95 58.80 1raa s SER 69 Cb -0.10 -2.28 0.00 0.00 0.21 0.00 0.00 66.02 63.85 1raa s SER 69 CO 0.33 -0.28 -0.17 -0.69 0.41 0.00 0.00 173.24 172.84 1raa s VAL 70 N -2.17 1.48 0.21 3.43 1.01 -1.26 -0.36 120.40 122.74 1raa s VAL 70 Ca 0.50 -0.71 0.10 0.00 0.00 0.00 0.00 61.98 61.87 1raa s VAL 70 Cb -0.10 -1.29 -0.05 0.00 0.00 0.00 0.00 36.38 34.94 1raa s VAL 70 CO 0.27 0.43 -0.19 0.68 0.00 0.00 0.00 175.10 176.29 1raa s VAL 71 N 0.31 2.04 -5.00 2.92 -7.23 -0.88 -4.94 120.40 107.62 1raa s VAL 71 Ca -0.11 -2.12 0.00 0.00 -1.81 0.00 0.00 61.98 57.94 1raa s VAL 71 Cb -0.14 -2.04 0.00 0.00 0.56 0.00 0.00 36.38 34.75 1raa s VAL 71 CO 0.04 -0.37 0.00 0.61 -0.31 0.00 0.00 175.10 175.07 1raa n GLY 72 N -0.09 -1.77 3.03 2.32 0.00 -1.26 -1.79 105.19 105.63 1raa n GLY 72 Ca -0.10 -1.45 -0.09 0.00 0.00 0.00 0.00 46.02 44.37 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 -1.99 0.24 0.10 1.61 -0.71 -1.08 -4.96 117.98 111.20 1raa s PHE 73 Ca 0.00 -0.51 0.06 0.00 -1.04 0.00 0.00 56.93 55.44 1raa s PHE 73 Cb 0.00 -0.18 -0.04 0.00 -1.21 0.00 0.00 43.02 41.59 1raa s PHE 73 CO 0.00 -0.24 -0.02 -1.54 -1.34 0.00 0.00 175.22 172.08 1raa s SER 74 N -1.65 4.87 0.00 1.98 1.04 -1.26 -1.41 113.70 117.27 1raa s SER 74 Ca -0.13 -0.24 0.00 0.00 0.48 0.00 0.00 55.95 56.06 1raa s SER 74 Cb -0.07 -1.10 0.00 0.00 0.10 0.00 0.00 66.02 64.95 1raa s SER 74 CO -0.02 0.17 0.00 -0.67 0.98 0.00 0.00 173.24 173.70 1raa n ASP 75 N 0.54 0.00 -3.67 7.02 2.03 -0.86 -4.63 116.55 116.98 1raa n ASP 75 Ca -0.11 0.00 -0.22 0.00 0.52 0.00 0.00 54.79 54.98 1raa n ASP 75 Cb 0.52 0.00 0.05 0.00 -0.72 0.00 0.00 41.12 40.97 1raa n ASP 75 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1raa n SER 76 N 0.00 -2.10 0.00 1.67 7.64 -1.25 -2.89 113.62 116.69 1raa n SER 76 Ca 0.00 -0.76 0.00 0.00 1.01 0.00 0.00 58.87 59.12 1raa n SER 76 Cb 0.00 -4.31 0.00 0.00 -1.01 0.00 0.00 64.21 58.89 1raa n SER 76 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1raa n ALA 77 N -4.34 0.00 -0.82 -0.43 0.00 -1.26 -4.91 120.51 108.75 1raa n ALA 77 Ca -0.24 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.20 1raa n ALA 77 Cb 0.65 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.10 1raa n ALA 77 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1raa n ASN 78 N 0.00 0.00 -4.56 0.00 2.85 -1.26 -4.82 115.26 107.47 1raa n ASN 78 Ca 0.00 0.00 -0.28 0.00 -0.11 0.00 0.00 54.58 54.19 1raa n ASN 78 Cb 0.00 0.00 -0.05 0.00 1.24 0.00 0.00 39.78 40.97 1raa n ASN 78 CO 0.00 0.00 0.00 0.42 -2.11 0.00 0.00 177.26 175.57 1raa s THR 79 N -1.00 3.43 0.00 -0.44 -4.23 -1.26 -4.82 115.64 107.32 1raa s THR 79 Ca 0.00 -0.30 0.00 0.00 -1.18 0.00 0.00 61.69 60.21 1raa s THR 79 Cb 0.00 -3.97 0.00 0.00 1.34 0.00 0.00 72.50 69.87 1raa s THR 79 CO 0.00 -0.92 0.00 -1.20 -0.54 0.00 0.00 174.62 171.96 1raa n SER 80 N 13.96 0.00 -4.84 3.99 7.64 -1.26 -4.89 113.62 128.22 1raa n SER 80 Ca 0.38 0.00 -0.24 0.00 1.01 0.00 0.00 58.87 60.02 1raa n SER 80 Cb 0.47 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.63 1raa n SER 80 CO 0.00 0.00 0.00 -1.48 -3.01 0.00 0.00 175.04 170.55 1raa s LEU 81 N 0.00 3.94 0.00 -3.43 2.34 -1.26 -3.87 118.68 116.39 1raa s LEU 81 Ca 0.00 -0.10 0.00 0.00 0.06 0.00 0.00 54.13 54.09 1raa s LEU 81 Cb 0.00 -2.51 0.00 0.00 -0.56 0.00 0.00 46.19 43.12 1raa s LEU 81 CO 0.00 0.02 0.00 0.61 -1.06 0.00 0.00 176.35 175.92 1raa n GLY 82 N -0.74 1.65 3.78 -3.48 0.00 -1.26 -5.03 105.19 100.12 1raa n GLY 82 Ca -0.08 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.59 1raa n GLY 82 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1raa s LYS 83 N -0.35 3.86 -0.78 1.61 3.01 -1.25 -3.80 119.74 122.03 1raa s LYS 83 Ca 0.00 1.51 -0.03 0.00 -1.01 0.00 0.00 55.97 56.45 1raa s LYS 83 Cb 0.00 -2.28 0.00 0.00 -1.01 0.00 0.00 37.83 34.54 1raa s LYS 83 CO 0.00 -0.41 0.55 0.36 0.51 0.00 0.00 175.35 176.36 1raa n LYS 84 N -0.63 -1.32 -0.52 1.68 2.85 -1.26 -2.89 118.16 116.07 1raa n LYS 84 Ca 0.08 0.62 0.00 0.00 -1.05 0.00 0.00 58.31 57.96 1raa n LYS 84 Cb 0.51 -2.01 0.00 0.00 -0.65 0.00 0.00 35.03 32.87 1raa n LYS 84 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1raa n GLY 85 N -1.58 0.00 3.57 2.58 0.00 -1.25 -4.91 105.19 103.60 1raa n GLY 85 Ca -0.28 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.27 1raa n GLY 85 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1raa n GLU 86 N 0.41 1.77 -0.94 1.61 2.13 -1.14 -4.97 120.64 119.50 1raa n GLU 86 Ca 0.00 0.54 -0.32 0.00 0.66 0.00 0.00 57.16 58.03 1raa n GLU 86 Cb 0.24 -2.86 0.14 0.00 0.27 0.00 0.00 31.44 29.24 1raa n GLU 86 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 1raa s THR 87 N 6.95 2.11 0.12 6.31 -4.23 -1.26 -4.40 115.64 121.24 1raa s THR 87 Ca 1.02 0.04 -0.15 0.00 -1.18 0.00 0.00 61.69 61.42 1raa s THR 87 Cb -0.58 -2.28 -0.04 0.00 1.34 0.00 0.00 72.50 70.95 1raa s THR 87 CO 0.43 -0.04 1.53 0.25 -0.54 0.00 0.00 174.62 176.25 1raa h LEU 88 N -1.34 0.70 -0.63 4.79 5.85 -1.99 -1.67 115.31 121.01 1raa h LEU 88 Ca -0.45 -0.35 0.12 0.00 0.84 0.00 0.00 57.88 58.05 1raa h LEU 88 Cb 1.28 -0.19 -0.12 0.00 0.37 0.00 0.00 40.66 42.00 1raa h LEU 88 CO 0.44 0.88 -0.22 0.00 -0.34 0.00 0.00 178.44 179.21 1raa h ALA 89 N 0.84 0.29 -0.45 1.25 0.00 -1.93 -0.39 119.26 118.87 1raa h ALA 89 Ca 0.10 0.23 -0.04 0.00 0.00 0.00 0.00 54.91 55.19 1raa h ALA 89 Cb 0.56 0.59 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 1raa h ALA 89 CO 0.03 -0.50 0.10 -0.44 0.00 0.00 0.00 179.25 178.44 1raa h ASP 90 N -0.06 0.62 0.18 0.00 3.32 -1.92 -0.97 116.42 117.59 1raa h ASP 90 Ca 0.29 -0.10 -0.01 0.00 0.02 0.00 0.00 57.03 57.23 1raa h ASP 90 Cb 0.51 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.90 1raa h ASP 90 CO -0.68 0.63 -0.08 0.74 -1.72 0.00 0.00 179.24 178.13 1raa h THR 91 N 0.65 0.85 -0.07 0.35 2.02 -0.14 -1.88 112.91 114.69 1raa h THR 91 Ca 0.15 -0.12 -0.05 0.00 0.77 0.00 0.00 66.41 67.16 1raa h THR 91 Cb 0.26 0.93 -0.01 0.00 -1.74 0.00 0.00 68.15 67.59 1raa h THR 91 CO -0.00 0.03 -0.20 0.40 0.37 0.00 0.00 175.52 176.12 1raa h ILE 92 N -0.29 1.18 0.00 3.11 1.08 -1.09 0.17 117.51 121.67 1raa h ILE 92 Ca -0.02 -0.83 -0.09 0.00 -0.39 0.00 0.00 64.86 63.53 1raa h ILE 92 Cb 0.23 1.35 -0.01 0.00 -3.07 0.00 0.00 36.82 35.31 1raa h ILE 92 CO 0.04 0.25 -0.42 0.28 -0.69 0.00 0.00 178.15 177.61 1raa h SER 93 N 0.11 0.00 0.13 1.72 0.02 -1.09 -1.01 113.55 113.43 1raa h SER 93 Ca 0.02 0.00 -0.30 0.00 -0.84 0.00 0.00 61.79 60.67 1raa h SER 93 Cb 0.42 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.95 1raa h SER 93 CO 0.03 0.42 -1.51 0.58 -1.14 0.00 0.00 176.83 175.21 1raa h VAL 94 N 0.00 0.98 -0.87 2.27 2.07 0.08 -3.33 116.25 117.46 1raa h VAL 94 Ca -0.00 -2.41 0.06 0.00 0.82 0.00 0.00 66.70 65.17 1raa h VAL 94 Cb 0.90 2.70 -0.06 0.00 -1.52 0.00 0.00 31.29 33.30 1raa h VAL 94 CO 0.05 0.74 0.54 0.40 0.02 0.00 0.00 177.57 179.32 1raa h ILE 95 N -0.22 1.05 0.00 4.57 2.04 -0.87 -0.78 117.51 123.30 1raa h ILE 95 Ca -0.32 -0.34 0.00 0.00 1.00 0.00 0.00 64.86 65.20 1raa h ILE 95 Cb 1.83 -0.02 0.00 0.00 -0.74 0.00 0.00 36.82 37.89 1raa h ILE 95 CO 0.08 0.18 0.00 -1.54 0.00 0.00 0.00 178.15 176.87 1raa n SER 96 N -4.61 0.00 0.00 1.72 3.41 -0.39 -1.81 113.62 111.94 1raa n SER 96 Ca 0.12 0.37 0.06 0.00 -0.26 0.00 0.00 58.87 59.17 1raa n SER 96 Cb 0.17 -0.44 0.27 0.00 -0.26 0.00 0.00 64.21 63.95 1raa n SER 96 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1raa n THR 97 N -1.44 1.13 -1.92 6.66 -1.04 -0.30 -4.28 114.28 113.10 1raa n THR 97 Ca 0.05 0.28 0.00 0.00 -2.04 0.00 0.00 64.05 62.34 1raa n THR 97 Cb 0.16 -1.07 0.00 0.00 -1.82 0.00 0.00 70.33 67.60 1raa n THR 97 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1raa n TYR 98 N -1.50 0.00 -4.40 -1.42 0.18 -0.75 -5.12 117.16 104.16 1raa n TYR 98 Ca 0.03 0.00 -0.20 0.00 1.88 0.00 0.00 57.90 59.61 1raa n TYR 98 Cb 0.15 0.13 -0.10 0.00 -0.38 0.00 0.00 39.34 39.13 1raa n TYR 98 CO 0.00 0.00 0.00 0.14 -2.08 0.00 0.00 176.86 174.92 1raa s VAL 99 N 0.00 1.56 -0.67 -3.48 -7.23 -1.24 -4.97 120.40 104.38 1raa s VAL 99 Ca 0.00 -2.12 0.22 0.00 -1.81 0.00 0.00 61.98 58.27 1raa s VAL 99 Cb 0.00 -2.37 -0.19 0.00 0.56 0.00 0.00 36.38 34.39 1raa s VAL 99 CO 0.00 -0.35 0.91 0.47 -0.31 0.00 0.00 175.10 175.82 1raa n ASP 100 N -0.52 0.63 -3.50 4.85 8.00 -0.11 -4.89 116.55 120.99 1raa n ASP 100 Ca -0.06 -0.45 -0.17 0.00 0.71 0.00 0.00 54.79 54.83 1raa n ASP 100 Cb 0.63 1.04 -0.05 0.00 -0.02 0.00 0.00 41.12 42.72 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 -3.17 -1.73 -0.15 2.24 0.00 -1.26 -4.22 121.76 113.46 1raa s ALA 101 Ca 0.04 1.16 0.00 0.00 0.00 0.00 0.00 51.96 53.16 1raa s ALA 101 Cb 0.15 0.16 -0.00 0.00 0.00 0.00 0.00 23.12 23.43 1raa s ALA 101 CO 0.84 -0.44 -0.15 0.42 0.00 0.00 0.00 175.76 176.43 1raa s ILE 102 N -1.65 2.69 -0.13 0.00 1.01 0.15 -1.74 121.20 121.53 1raa s ILE 102 Ca -0.09 -0.76 -0.04 0.00 0.00 0.00 0.00 60.65 59.76 1raa s ILE 102 Cb -0.00 -2.14 -0.03 0.00 0.01 0.00 0.00 42.46 40.30 1raa s ILE 102 CO 0.06 0.51 0.02 -0.69 0.00 0.00 0.00 174.94 174.84 1raa s VAL 103 N 0.78 4.45 -0.10 2.92 1.01 0.15 -1.17 120.40 128.45 1raa s VAL 103 Ca -0.06 -0.17 -0.12 0.00 0.00 0.00 0.00 61.98 61.63 1raa s VAL 103 Cb -0.15 -2.94 0.03 0.00 0.00 0.00 0.00 36.38 33.32 1raa s VAL 103 CO 0.00 0.54 0.32 0.00 0.00 0.00 0.00 175.10 175.96 1raa s MET 104 N -0.23 0.44 0.04 2.72 0.00 -0.98 -0.77 119.30 120.53 1raa s MET 104 Ca 0.06 0.31 0.08 0.00 0.00 0.00 0.00 55.69 56.14 1raa s MET 104 Cb -0.12 0.21 -0.03 0.00 0.00 0.00 0.00 34.83 34.88 1raa s MET 104 CO 0.02 -0.07 -0.20 0.50 0.00 0.00 0.00 175.02 175.26 1raa s ARG 105 N -0.15 1.99 -0.06 3.16 3.52 -0.65 -0.61 118.95 126.14 1raa s ARG 105 Ca -0.03 -1.02 -0.17 0.00 -0.13 0.00 0.00 55.73 54.38 1raa s ARG 105 Cb -0.03 -2.13 0.03 0.00 -1.56 0.00 0.00 34.95 31.27 1raa s ARG 105 CO 0.01 0.53 0.39 -1.58 -0.81 0.00 0.00 175.30 173.84 1raa s HIS 106 N -0.90 -0.32 -0.01 5.12 2.46 -0.53 -2.01 115.29 119.10 1raa s HIS 106 Ca 0.14 0.62 0.32 0.00 0.47 0.00 0.00 55.06 56.61 1raa s HIS 106 Cb -0.10 0.15 1.26 0.00 -0.13 0.00 0.00 32.58 33.76 1raa s HIS 106 CO 0.04 -0.37 1.93 -1.00 -2.47 0.00 0.00 174.74 172.87 1raa h PRO 107 N 4.22 0.00 -5.99 2.88 0.13 -1.89 -2.55 132.00 128.80 1raa h PRO 107 Ca -0.28 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.23 1raa h PRO 107 Cb 1.17 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.25 1raa h PRO 107 CO 0.35 0.00 -0.25 -0.65 -0.23 0.00 0.00 178.00 177.22 1raa s GLN 108 N -3.59 3.81 0.25 0.86 -0.21 -1.26 -3.40 119.66 116.12 1raa s GLN 108 Ca 0.02 0.28 -0.30 0.00 0.02 0.00 0.00 55.36 55.38 1raa s GLN 108 Cb 0.09 -3.16 -0.09 0.00 1.00 0.00 0.00 33.01 30.85 1raa s GLN 108 CO 0.53 0.67 1.12 -1.21 -2.12 0.00 0.00 175.29 174.28 1raa s GLU 109 N -1.29 4.61 0.00 2.91 8.01 -1.26 -3.23 118.70 128.44 1raa s GLU 109 Ca 0.25 1.81 0.00 0.00 0.01 0.00 0.00 54.97 57.04 1raa s GLU 109 Cb -0.15 -3.21 0.00 0.00 -4.31 0.00 0.00 34.13 26.46 1raa s GLU 109 CO 0.13 0.14 0.00 0.41 0.01 0.00 0.00 175.26 175.95 1raa n GLY 110 N 1.45 1.16 0.33 -1.39 0.00 -1.26 -4.98 105.19 100.49 1raa n GLY 110 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 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 1.02 -0.57 4.61 0.00 -1.92 -1.75 119.26 120.65 1raa h ALA 111 Ca 0.00 -0.23 -0.08 0.00 0.00 0.00 0.00 54.91 54.61 1raa h ALA 111 Cb 0.00 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 1raa h ALA 111 CO 0.00 0.65 0.05 0.00 0.00 0.00 0.00 179.25 179.95 1raa h ALA 112 N 1.16 1.02 -0.12 0.00 0.00 -1.92 -1.48 119.26 117.91 1raa h ALA 112 Ca 0.23 -0.27 -0.14 0.00 0.00 0.00 0.00 54.91 54.74 1raa h ALA 112 Cb 0.31 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1raa h ALA 112 CO -0.01 0.61 -0.53 -0.09 0.00 0.00 0.00 179.25 179.24 1raa h ARG 113 N 0.87 0.34 -0.66 0.00 2.43 -1.86 -2.20 114.38 113.31 1raa h ARG 113 Ca 0.17 -0.20 -0.07 0.00 -0.81 0.00 0.00 59.98 59.07 1raa h ARG 113 Cb 0.45 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.99 1raa h ARG 113 CO 0.02 0.79 0.15 1.25 -1.51 0.00 0.00 179.97 180.66 1raa h LEU 114 N 0.26 1.01 -0.94 3.80 6.46 -1.05 -3.04 115.31 121.82 1raa h LEU 114 Ca 0.01 -0.24 0.16 0.00 -0.12 0.00 0.00 57.88 57.69 1raa h LEU 114 Cb 1.02 -0.27 -0.10 0.00 -0.73 0.00 0.00 40.66 40.59 1raa h LEU 114 CO 0.09 0.99 0.54 0.00 -0.62 0.00 0.00 178.44 179.43 1raa h ALA 115 N 1.06 1.48 -1.12 1.25 0.00 -0.65 -0.39 119.26 120.89 1raa h ALA 115 Ca 0.20 0.08 0.32 0.00 0.00 0.00 0.00 54.91 55.51 1raa h ALA 115 Cb 0.38 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.05 1raa h ALA 115 CO 0.00 -0.03 0.80 1.15 0.00 0.00 0.00 179.25 181.17 1raa h THR 116 N 0.73 0.44 0.00 0.00 2.02 -1.36 -1.54 112.91 113.20 1raa h THR 116 Ca 0.52 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 67.68 1raa h THR 116 Cb 0.74 0.38 0.00 0.00 -1.74 0.00 0.00 68.15 67.53 1raa h THR 116 CO -0.36 0.01 -0.03 -0.62 0.37 0.00 0.00 175.52 174.89 1raa n GLU 117 N -4.26 0.19 -0.00 6.66 1.02 -0.15 -3.78 120.64 120.31 1raa n GLU 117 Ca 0.25 0.15 0.00 0.00 -0.02 0.00 0.00 57.16 57.54 1raa n GLU 117 Cb 1.15 -1.72 -0.00 0.00 -0.02 0.00 0.00 31.44 30.85 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 -2.05 0.00 0.72 -0.32 3.72 -0.64 -4.76 117.46 114.13 1raa n PHE 118 Ca 0.06 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.59 1raa n PHE 118 Cb 0.41 -0.00 0.37 0.00 -0.94 0.00 0.00 39.48 39.31 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 -1.08 0.60 0.00 4.37 3.41 -0.86 -4.35 113.62 115.70 1raa n SER 119 Ca 0.00 0.36 0.00 0.00 -0.26 0.00 0.00 58.87 58.97 1raa n SER 119 Cb 0.00 -0.38 0.00 0.00 -0.26 0.00 0.00 64.21 63.57 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 1.37 1.69 0.60 5.00 0.00 -1.26 -2.57 105.19 110.03 1raa n GLY 120 Ca 0.05 -0.14 0.05 0.00 0.00 0.00 0.00 46.02 45.98 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 10.32 2.92 -4.64 1.61 3.02 -1.26 -4.90 115.26 122.33 1raa n ASN 121 Ca 0.00 -2.07 -0.39 0.00 -0.03 0.00 0.00 54.58 52.09 1raa n ASN 121 Cb 0.00 -0.23 -0.08 0.00 -0.61 0.00 0.00 39.78 38.86 1raa n ASN 121 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1raa s VAL 122 N -1.12 5.12 0.54 2.41 1.01 -1.06 -5.05 120.40 122.24 1raa s VAL 122 Ca 0.23 0.83 -0.22 0.00 0.00 0.00 0.00 61.98 62.82 1raa s VAL 122 Cb 0.13 -3.80 -0.06 0.00 0.00 0.00 0.00 36.38 32.65 1raa s VAL 122 CO 0.14 0.15 1.22 -2.65 0.00 0.00 0.00 175.10 173.96 1raa n PRO 123 N 5.11 1.48 -4.07 2.72 -0.02 -1.26 -4.80 135.00 134.16 1raa n PRO 123 Ca -0.06 0.55 -0.33 0.00 -2.02 0.00 0.00 63.50 61.64 1raa n PRO 123 Cb 0.50 -2.40 -0.16 0.00 -0.02 0.00 0.00 33.50 31.43 1raa n PRO 123 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1raa s VAL 124 N -1.33 2.37 -0.13 -1.45 1.01 -1.26 -0.68 120.40 118.93 1raa s VAL 124 Ca 0.71 -0.84 -0.01 0.00 0.00 0.00 0.00 61.98 61.85 1raa s VAL 124 Cb -0.44 -2.02 -0.02 0.00 0.00 0.00 0.00 36.38 33.90 1raa s VAL 124 CO 0.50 0.51 -0.12 -0.76 0.00 0.00 0.00 175.10 175.24 1raa s LEU 125 N 1.33 2.79 -0.25 3.92 1.43 -0.31 -2.30 118.68 125.29 1raa s LEU 125 Ca 0.05 -0.29 -0.24 0.00 -1.03 0.00 0.00 54.13 52.62 1raa s LEU 125 Cb -0.13 -1.63 -0.01 0.00 0.03 0.00 0.00 46.19 44.45 1raa s LEU 125 CO -0.11 0.17 0.79 0.21 0.23 0.00 0.00 176.35 177.65 1raa s ASN 126 N 0.31 6.77 0.00 2.29 2.47 0.00 -2.33 114.94 124.46 1raa s ASN 126 Ca -0.09 0.94 0.22 0.00 0.42 0.00 0.00 52.86 54.35 1raa s ASN 126 Cb -0.16 -2.42 0.58 0.00 -1.45 0.00 0.00 41.25 37.80 1raa s ASN 126 CO 0.05 -0.50 1.49 0.00 -3.72 0.00 0.00 177.10 174.42 1raa n ALA 127 N 5.99 2.40 0.00 1.71 0.00 0.21 -4.26 120.51 126.56 1raa n ALA 127 Ca 0.04 -1.17 0.00 0.00 0.00 0.00 0.00 53.44 52.32 1raa n ALA 127 Cb 0.48 -0.93 0.00 0.00 0.00 0.00 0.00 19.45 19.00 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 1.60 3.97 2.87 0.00 0.00 -1.23 -4.75 105.19 107.65 1raa n GLY 128 Ca 0.23 -0.50 -0.30 0.00 0.00 0.00 0.00 46.02 45.45 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 4.09 0.46 1.61 -4.77 -0.88 -1.45 116.67 115.73 1raa s ASP 129 Ca 0.00 -1.58 0.00 0.00 -3.30 0.00 0.00 52.55 47.67 1raa s ASP 129 Cb 0.00 -1.13 0.00 0.00 -1.09 0.00 0.00 42.92 40.70 1raa s ASP 129 CO 0.00 -0.35 0.00 0.61 0.70 0.00 0.00 175.17 176.13 1raa n GLY 130 N 4.66 1.80 1.40 2.12 0.00 -0.96 -1.17 105.19 113.04 1raa n GLY 130 Ca -0.04 -0.38 -0.08 0.00 0.00 0.00 0.00 46.02 45.52 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 -1.26 3.22 0.00 1.61 3.41 -1.26 -4.68 113.62 114.66 1raa n SER 131 Ca 0.00 -2.55 0.00 0.00 -0.26 0.00 0.00 58.87 56.06 1raa n SER 131 Cb 0.00 -0.62 0.00 0.00 -0.26 0.00 0.00 64.21 63.33 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 -0.06 0.00 -4.50 4.04 5.15 -0.32 -4.92 115.26 114.65 1raa n ASN 132 Ca 0.20 0.00 -0.24 0.00 -0.60 0.00 0.00 54.58 53.95 1raa n ASN 132 Cb 0.89 0.00 -0.11 0.00 -0.53 0.00 0.00 39.78 40.04 1raa n ASN 132 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 1raa s GLN 133 N 0.00 1.76 -0.45 1.20 -1.52 -1.25 -4.96 119.66 114.45 1raa s GLN 133 Ca 0.00 -1.99 0.05 0.00 -1.95 0.00 0.00 55.36 51.47 1raa s GLN 133 Cb 0.00 -1.12 0.29 0.00 -0.22 0.00 0.00 33.01 31.97 1raa s GLN 133 CO 0.00 -0.15 1.09 1.58 -0.25 0.00 0.00 175.29 177.55 1raa n HIS 134 N -0.79 -2.62 -0.23 0.91 -0.00 -1.26 -2.07 115.22 109.16 1raa n HIS 134 Ca -0.03 -1.77 0.18 0.00 -0.00 0.00 0.00 57.72 56.09 1raa n HIS 134 Cb 0.67 1.53 0.50 0.00 -0.00 0.00 0.00 29.99 32.69 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 3.23 0.42 0.00 1.57 0.11 -1.83 -0.26 132.00 135.24 1raa h PRO 135 Ca -0.15 -0.03 -0.10 0.00 0.11 0.00 0.00 66.00 65.84 1raa h PRO 135 Cb 1.10 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.10 1raa h PRO 135 CO 0.16 0.28 -0.48 1.15 -0.21 0.00 0.00 178.00 178.89 1raa h THR 136 N 0.43 0.95 -0.04 -1.15 2.02 -1.96 0.25 112.91 113.41 1raa h THR 136 Ca 0.45 -1.96 -0.25 0.00 0.77 0.00 0.00 66.41 65.42 1raa h THR 136 Cb 1.08 2.20 0.02 0.00 -1.74 0.00 0.00 68.15 69.71 1raa h THR 136 CO -0.17 0.47 -0.93 -0.61 0.37 0.00 0.00 175.52 174.65 1raa h GLN 137 N 0.00 0.70 -0.30 6.66 5.75 -1.42 -2.43 115.11 124.07 1raa h GLN 137 Ca -0.00 -0.70 -0.08 0.00 -0.15 0.00 0.00 58.65 57.71 1raa h GLN 137 Cb 1.16 0.19 -0.02 0.00 1.07 0.00 0.00 27.48 29.89 1raa h GLN 137 CO 0.06 1.29 -0.15 1.15 -2.65 0.00 0.00 178.83 178.53 1raa h THR 138 N 0.38 1.24 -0.60 2.39 2.02 -1.28 -1.80 112.91 115.26 1raa h THR 138 Ca -0.11 -1.10 -0.09 0.00 0.77 0.00 0.00 66.41 65.88 1raa h THR 138 Cb 1.59 1.18 -0.02 0.00 -1.74 0.00 0.00 68.15 69.16 1raa h THR 138 CO 0.19 0.36 0.01 -0.07 0.37 0.00 0.00 175.52 176.38 1raa h LEU 139 N 0.49 1.02 -0.49 2.58 3.38 -0.43 -0.15 115.31 121.70 1raa h LEU 139 Ca 0.08 -0.28 -0.17 0.00 0.09 0.00 0.00 57.88 57.61 1raa h LEU 139 Cb 0.55 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 1raa h LEU 139 CO 0.04 1.06 -0.61 0.17 0.09 0.00 0.00 178.44 179.19 1raa h LEU 140 N 0.96 0.57 0.37 1.67 8.10 -1.24 -0.89 115.31 124.84 1raa h LEU 140 Ca 0.17 -0.32 -0.02 0.00 0.11 0.00 0.00 57.88 57.82 1raa h LEU 140 Cb 0.54 -0.16 0.00 0.00 -0.44 0.00 0.00 40.66 40.60 1raa h LEU 140 CO 0.03 1.04 -0.18 0.44 -4.11 0.00 0.00 178.44 175.66 1raa h ASP 141 N 0.37 -0.42 -0.72 0.17 3.32 -1.13 -0.69 116.42 117.32 1raa h ASP 141 Ca -0.01 -0.04 0.12 0.00 0.02 0.00 0.00 57.03 57.12 1raa h ASP 141 Cb 1.16 0.11 -0.09 0.00 0.22 0.00 0.00 39.33 40.73 1raa h ASP 141 CO 0.11 -0.22 0.29 -0.07 -1.72 0.00 0.00 179.24 177.63 1raa h LEU 142 N -0.59 0.30 -0.90 1.55 3.38 -0.95 -1.07 115.31 117.03 1raa h LEU 142 Ca -0.05 0.10 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 1raa h LEU 142 Cb 0.44 0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.21 1raa h LEU 142 CO 0.08 0.14 0.50 0.15 0.09 0.00 0.00 178.44 179.40 1raa h PHE 143 N 0.46 1.23 0.00 1.13 3.57 -0.64 0.77 116.94 123.47 1raa h PHE 143 Ca 0.38 -0.03 -0.09 0.00 3.53 0.00 0.00 57.97 61.76 1raa h PHE 143 Cb 0.54 -0.39 -0.01 0.00 2.79 0.00 0.00 35.95 38.87 1raa h PHE 143 CO -0.16 0.85 -0.43 1.15 -2.23 0.00 0.00 178.31 177.49 1raa h THR 144 N 1.26 1.07 -0.07 4.41 2.02 -0.03 0.34 112.91 121.90 1raa h THR 144 Ca 0.32 -1.62 -0.11 0.00 0.77 0.00 0.00 66.41 65.77 1raa h THR 144 Cb 0.02 1.93 0.01 0.00 -1.74 0.00 0.00 68.15 68.37 1raa h THR 144 CO -0.05 0.42 -0.39 0.40 0.37 0.00 0.00 175.52 176.27 1raa h ILE 145 N 0.00 1.41 0.20 3.11 2.04 -0.17 -2.74 117.51 121.37 1raa h ILE 145 Ca -0.00 -1.79 -0.01 0.00 1.00 0.00 0.00 64.86 64.05 1raa h ILE 145 Cb 0.90 2.33 0.00 0.00 -0.74 0.00 0.00 36.82 39.31 1raa h ILE 145 CO 0.06 0.52 -0.10 -0.61 0.00 0.00 0.00 178.15 178.02 1raa h GLN 146 N -0.08 -0.27 -0.25 2.37 4.15 -0.64 0.20 115.11 120.60 1raa h GLN 146 Ca -0.03 0.02 -0.00 0.00 0.77 0.00 0.00 58.65 59.41 1raa h GLN 146 Cb 1.05 0.06 -0.01 0.00 0.21 0.00 0.00 27.48 28.79 1raa h GLN 146 CO 0.08 -0.10 0.14 1.49 -1.93 0.00 0.00 178.83 178.51 1raa h GLU 147 N -0.38 0.33 0.02 1.69 4.81 -1.03 0.34 114.58 120.36 1raa h GLU 147 Ca -0.03 -0.02 -0.32 0.00 -0.13 0.00 0.00 59.36 58.86 1raa h GLU 147 Cb 0.29 -0.07 -0.05 0.00 0.63 0.00 0.00 28.75 29.55 1raa h GLU 147 CO 0.05 0.24 -1.90 0.25 -0.73 0.00 0.00 179.01 176.92 1raa n THR 148 N -4.48 1.59 1.00 0.32 -2.24 -0.97 -4.29 114.28 105.22 1raa n THR 148 Ca 0.01 -0.78 0.10 0.00 -2.27 0.00 0.00 64.05 61.11 1raa n THR 148 Cb 0.09 -1.04 -0.04 0.00 -2.10 0.00 0.00 70.33 67.24 1raa n THR 148 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1raa n GLN 149 N -3.06 0.04 0.00 -0.78 1.13 0.66 -4.99 117.38 110.38 1raa n GLN 149 Ca -0.23 -0.03 0.00 0.00 -1.94 0.00 0.00 57.00 54.80 1raa n GLN 149 Cb 1.07 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.92 1raa n GLN 149 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1raa n GLY 150 N 1.50 2.99 3.53 1.08 0.00 0.12 -4.96 105.19 109.45 1raa n GLY 150 Ca 0.05 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.00 1.65 -0.04 1.61 1.70 -1.24 -4.96 118.95 117.66 1raa s ARG 151 Ca 0.00 -1.45 0.05 0.00 -0.47 0.00 0.00 55.73 53.86 1raa s ARG 151 Cb 0.00 0.45 0.08 0.00 -0.57 0.00 0.00 34.95 34.91 1raa s ARG 151 CO 0.00 -0.68 0.95 -0.11 -1.08 0.00 0.00 175.30 174.38 1raa n LEU 152 N -0.43 1.46 -4.23 -1.89 7.94 -1.26 -4.11 117.00 114.47 1raa n LEU 152 Ca -0.01 -1.81 -0.13 0.00 -1.11 0.00 0.00 56.01 52.95 1raa n LEU 152 Cb 0.62 -0.12 -0.10 0.00 0.53 0.00 0.00 43.42 44.35 1raa n LEU 152 CO 0.26 0.43 -0.36 1.51 -1.11 0.00 0.00 177.39 178.13 1raa s ASP 153 N -1.36 1.33 -1.62 1.96 1.47 -1.26 -4.64 116.67 112.55 1raa s ASP 153 Ca 0.09 -1.11 -0.03 0.00 1.18 0.00 0.00 52.55 52.68 1raa s ASP 153 Cb 0.08 0.08 0.01 0.00 -0.34 0.00 0.00 42.92 42.75 1raa s ASP 153 CO 0.01 -0.50 0.45 0.59 0.68 0.00 0.00 175.17 176.39 1raa n ASN 154 N -0.20 -6.05 -4.92 2.11 4.13 0.41 -4.92 115.26 105.83 1raa n ASN 154 Ca -0.08 -0.22 -0.28 0.00 1.68 0.00 0.00 54.58 55.68 1raa n ASN 154 Cb 0.62 -4.93 -0.03 0.00 -1.54 0.00 0.00 39.78 33.90 1raa n ASN 154 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1raa s LEU 155 N -6.52 4.20 -0.50 3.41 1.43 -1.26 -4.89 118.68 114.55 1raa s LEU 155 Ca 0.22 0.50 -0.06 0.00 -1.03 0.00 0.00 54.13 53.76 1raa s LEU 155 Cb -0.10 -3.27 0.13 0.00 0.03 0.00 0.00 46.19 42.98 1raa s LEU 155 CO 0.28 -0.05 0.35 -1.00 0.23 0.00 0.00 176.35 176.15 1raa s HIS 156 N -1.87 3.49 -0.22 0.29 3.76 -1.26 -0.16 115.29 119.33 1raa s HIS 156 Ca 0.40 -2.20 -0.05 0.00 -0.15 0.00 0.00 55.06 53.07 1raa s HIS 156 Cb -0.11 -3.39 -0.01 0.00 1.11 0.00 0.00 32.58 30.18 1raa s HIS 156 CO 0.28 -0.96 -0.02 0.08 -0.85 0.00 0.00 174.74 173.27 1raa s VAL 157 N 0.96 3.60 -0.04 -0.90 1.01 -0.60 -1.27 120.40 123.16 1raa s VAL 157 Ca 0.09 -0.42 -0.10 0.00 0.00 0.00 0.00 61.98 61.56 1raa s VAL 157 Cb -0.23 -2.65 -0.05 0.00 0.00 0.00 0.00 36.38 33.45 1raa s VAL 157 CO -0.03 0.41 0.27 0.00 0.00 0.00 0.00 175.10 175.75 1raa s ALA 158 N 1.43 3.80 -0.09 5.51 0.00 0.33 -2.53 121.76 130.22 1raa s ALA 158 Ca 0.05 -0.47 0.03 0.00 0.00 0.00 0.00 51.96 51.58 1raa s ALA 158 Cb -0.14 -2.15 0.00 0.00 0.00 0.00 0.00 23.12 20.83 1raa s ALA 158 CO -0.01 0.58 -0.21 -1.64 0.00 0.00 0.00 175.76 174.48 1raa s MET 159 N -1.25 2.69 -0.03 0.00 1.00 0.71 -1.34 119.30 121.08 1raa s MET 159 Ca 0.22 -0.75 0.06 0.00 0.00 0.00 0.00 55.69 55.21 1raa s MET 159 Cb -0.14 -2.07 -0.01 0.00 0.00 0.00 0.00 34.83 32.61 1raa s MET 159 CO 0.11 0.12 -0.20 0.08 0.00 0.00 0.00 175.02 175.13 1raa s VAL 160 N 0.47 1.63 0.00 -6.03 1.01 -0.46 -1.13 120.40 115.89 1raa s VAL 160 Ca -0.17 -0.85 0.00 0.00 0.00 0.00 0.00 61.98 60.96 1raa s VAL 160 Cb -0.17 -1.37 0.00 0.00 0.00 0.00 0.00 36.38 34.84 1raa s VAL 160 CO 0.07 0.46 0.00 0.61 0.00 0.00 0.00 175.10 176.24 1raa n GLY 161 N 2.83 0.18 3.39 4.51 0.00 -0.97 -1.41 105.19 113.71 1raa n GLY 161 Ca -0.17 -1.51 -0.42 0.00 0.00 0.00 0.00 46.02 43.93 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 5.87 -0.01 1.61 2.15 -1.26 -4.34 116.67 116.69 1raa s ASP 162 Ca 0.00 -1.06 0.22 0.00 0.43 0.00 0.00 52.55 52.14 1raa s ASP 162 Cb 0.00 -2.07 -0.25 0.00 -0.30 0.00 0.00 42.92 40.30 1raa s ASP 162 CO 0.00 -0.45 0.73 0.18 -0.17 0.00 0.00 175.17 175.46 1raa n LEU 163 N 5.05 0.53 0.12 -1.34 4.77 0.20 -3.53 117.00 122.80 1raa n LEU 163 Ca -0.11 -0.23 -0.23 0.00 -0.03 0.00 0.00 56.01 55.40 1raa n LEU 163 Cb 0.46 -0.01 -0.15 0.00 -2.33 0.00 0.00 43.42 41.39 1raa n LEU 163 CO 0.39 0.12 -0.15 0.50 -1.33 0.00 0.00 177.39 176.92 1raa h LYS 164 N 0.00 0.53 -0.01 3.23 3.64 -0.26 -3.38 116.57 120.33 1raa h LYS 164 Ca 0.00 -0.84 0.00 0.00 -1.27 0.00 0.00 60.65 58.54 1raa h LYS 164 Cb 0.74 0.30 0.00 0.00 -0.41 0.00 0.00 32.23 32.87 1raa h LYS 164 CO 0.00 1.40 -0.26 0.66 -2.27 0.00 0.00 179.45 178.98 1raa n TYR 165 N -3.81 0.00 -2.34 1.91 4.01 -1.26 -4.84 117.16 110.83 1raa n TYR 165 Ca -0.16 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.16 1raa n TYR 165 Cb 1.03 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 40.04 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 -1.57 0.97 0.36 2.72 0.00 -1.23 -4.89 107.32 103.67 1raa s GLY 166 Ca 0.10 -0.37 0.06 0.00 0.00 0.00 0.00 44.72 44.51 1raa s GLY 166 CO 0.31 2.82 1.93 -0.09 0.00 0.00 0.00 173.10 178.08 1raa h ARG 167 N 11.10 0.48 -0.16 2.90 2.43 -1.91 -3.08 114.38 126.14 1raa h ARG 167 Ca -0.27 -0.08 -0.16 0.00 -0.81 0.00 0.00 59.98 58.65 1raa h ARG 167 Cb 1.10 -0.08 0.01 0.00 -0.42 0.00 0.00 29.97 30.58 1raa h ARG 167 CO 1.13 0.47 -0.54 1.79 -1.51 0.00 0.00 179.97 181.31 1raa h THR 168 N 0.47 1.33 -0.28 0.20 1.35 -1.93 -2.88 112.91 111.18 1raa h THR 168 Ca 0.11 -1.79 -0.05 0.00 -0.55 0.00 0.00 66.41 64.12 1raa h THR 168 Cb 0.23 2.00 -0.02 0.00 -1.73 0.00 0.00 68.15 68.63 1raa h THR 168 CO 0.00 0.56 -0.06 -0.37 -0.25 0.00 0.00 175.52 175.39 1raa h VAL 169 N 0.32 1.20 -0.22 6.82 -1.51 -1.93 -1.42 116.25 119.51 1raa h VAL 169 Ca -0.02 -0.83 -0.08 0.00 -1.23 0.00 0.00 66.70 64.54 1raa h VAL 169 Cb 1.17 1.06 -0.00 0.00 -2.13 0.00 0.00 31.29 31.38 1raa h VAL 169 CO 0.11 0.27 -0.19 0.45 -1.23 0.00 0.00 177.57 176.99 1raa h HIS 170 N 0.41 0.62 -0.38 5.19 3.86 -1.57 -2.23 115.15 121.06 1raa h HIS 170 Ca 0.09 -0.18 -0.13 0.00 -1.16 0.00 0.00 60.37 58.99 1raa h HIS 170 Cb 0.37 -0.13 -0.01 0.00 1.06 0.00 0.00 27.41 28.70 1raa h HIS 170 CO 0.01 0.85 -0.28 0.77 0.86 0.00 0.00 177.93 180.14 1raa h SER 171 N 0.21 0.82 0.32 2.45 0.02 -1.26 -2.98 113.55 113.14 1raa h SER 171 Ca 0.04 -0.33 -0.11 0.00 -0.84 0.00 0.00 61.79 60.56 1raa h SER 171 Cb 0.73 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 63.03 1raa h SER 171 CO 0.05 1.05 -0.44 0.25 -1.14 0.00 0.00 176.83 176.60 1raa h LEU 172 N 0.68 0.16 -0.69 5.07 5.85 -1.13 -1.01 115.31 124.24 1raa h LEU 172 Ca 0.08 -0.07 -0.08 0.00 0.84 0.00 0.00 57.88 58.65 1raa h LEU 172 Cb 0.82 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.77 1raa h LEU 172 CO 0.07 0.59 0.08 0.74 -0.34 0.00 0.00 178.44 179.58 1raa h THR 173 N 0.13 1.26 -0.49 1.05 2.02 -1.34 0.13 112.91 115.67 1raa h THR 173 Ca 0.01 -1.07 -0.10 0.00 0.77 0.00 0.00 66.41 66.02 1raa h THR 173 Cb 0.84 0.67 -0.02 0.00 -1.74 0.00 0.00 68.15 67.90 1raa h THR 173 CO 0.06 0.40 -0.10 1.56 0.37 0.00 0.00 175.52 177.81 1raa h GLN 174 N 1.02 0.90 0.13 6.66 4.20 -1.23 -1.54 115.11 125.24 1raa h GLN 174 Ca 0.20 -0.31 -0.01 0.00 0.06 0.00 0.00 58.65 58.59 1raa h GLN 174 Cb 0.47 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.18 1raa h GLN 174 CO 0.02 0.96 -0.06 0.00 -0.67 0.00 0.00 178.83 179.07 1raa h ALA 175 N 1.07 -0.17 0.00 3.87 0.00 -0.95 -3.15 119.26 119.93 1raa h ALA 175 Ca 0.13 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 1raa h ALA 175 Cb 0.62 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 1raa h ALA 175 CO 0.04 -0.36 -0.02 -0.07 0.00 0.00 0.00 179.25 178.84 1raa h LEU 176 N -0.65 0.00 -0.40 0.00 3.38 -0.74 0.39 115.31 117.28 1raa h LEU 176 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1raa h LEU 176 Cb 0.50 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.25 1raa h LEU 176 CO 0.03 0.02 0.00 0.00 0.09 0.00 0.00 178.44 178.58 1raa h ALA 177 N 1.98 1.00 0.00 1.53 0.00 -1.24 -2.12 119.26 120.41 1raa h ALA 177 Ca -0.00 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1raa h ALA 177 Cb 0.07 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 1raa h ALA 177 CO 0.00 0.00 -0.14 0.87 0.00 0.00 0.00 179.25 179.98 1raa h LYS 178 N 0.00 0.00 -6.33 0.00 1.57 -0.21 -3.45 116.57 108.15 1raa h LYS 178 Ca 0.00 0.00 -0.49 0.00 -1.87 0.00 0.00 60.65 58.29 1raa h LYS 178 Cb 0.56 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.87 1raa h LYS 178 CO 0.00 0.14 -0.26 -0.06 -0.57 0.00 0.00 179.45 178.70 1raa s PHE 179 N -4.06 2.21 -0.00 -1.35 0.40 -0.80 -4.93 117.98 109.46 1raa s PHE 179 Ca -0.02 -0.59 -0.20 0.00 -0.60 0.00 0.00 56.93 55.52 1raa s PHE 179 Cb 0.12 -2.19 -0.05 0.00 0.51 0.00 0.00 43.02 41.40 1raa s PHE 179 CO 0.59 -0.54 0.58 -0.51 0.70 0.00 0.00 175.22 176.05 1raa s ASP 180 N -4.36 6.97 -1.47 1.36 1.01 -1.26 -4.52 116.67 114.40 1raa s ASP 180 Ca 0.51 1.15 0.00 0.00 0.71 0.00 0.00 52.55 54.92 1raa s ASP 180 Cb -0.05 -2.36 0.00 0.00 1.01 0.00 0.00 42.92 41.52 1raa s ASP 180 CO 0.31 0.12 0.00 0.61 0.21 0.00 0.00 175.17 176.42 1raa n GLY 181 N 2.38 1.36 3.80 0.21 0.00 -1.26 -0.44 105.19 111.24 1raa n GLY 181 Ca -0.07 -0.07 -0.34 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.58 6.17 -0.09 1.61 0.01 -1.26 -3.92 114.94 114.88 1raa s ASN 182 Ca 0.00 1.94 0.03 0.00 -0.71 0.00 0.00 52.86 54.13 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 -0.90 -0.20 -0.13 -1.51 0.00 0.00 177.10 174.36 1raa s ARG 183 N -3.37 2.55 -0.08 -0.60 0.52 0.78 -4.22 118.95 114.52 1raa s ARG 183 Ca 0.67 -0.71 -0.00 0.00 -0.52 0.00 0.00 55.73 55.17 1raa s ARG 183 Cb -0.17 -1.97 -0.03 0.00 0.52 0.00 0.00 34.95 33.30 1raa s ARG 183 CO 0.23 0.13 -0.04 -0.06 0.02 0.00 0.00 175.30 175.58 1raa s PHE 184 N 0.44 3.02 -0.13 -0.53 0.08 -0.18 -1.56 117.98 119.12 1raa s PHE 184 Ca -0.17 0.05 0.02 0.00 0.12 0.00 0.00 56.93 56.95 1raa s PHE 184 Cb -0.17 -1.76 0.01 0.00 -0.57 0.00 0.00 43.02 40.54 1raa s PHE 184 CO 0.07 0.35 -0.17 0.71 -0.10 0.00 0.00 175.22 176.08 1raa s TYR 185 N -0.73 2.22 -0.13 0.36 2.02 -1.05 -0.30 117.35 119.73 1raa s TYR 185 Ca 0.11 -1.12 -0.03 0.00 -0.37 0.00 0.00 57.07 55.66 1raa s TYR 185 Cb -0.11 -1.58 -0.03 0.00 -0.40 0.00 0.00 41.96 39.84 1raa s TYR 185 CO 0.02 -0.56 -0.03 -0.06 -1.57 0.00 0.00 175.55 173.35 1raa s PHE 186 N 1.04 3.06 -0.27 2.71 0.08 0.39 -0.21 117.98 124.78 1raa s PHE 186 Ca -0.04 -0.14 -0.01 0.00 0.12 0.00 0.00 56.93 56.86 1raa s PHE 186 Cb -0.15 -1.91 0.08 0.00 -0.57 0.00 0.00 43.02 40.48 1raa s PHE 186 CO -0.04 0.12 0.06 0.42 -0.10 0.00 0.00 175.22 175.68 1raa s ILE 187 N -0.02 0.85 -0.01 0.64 1.01 -0.28 -2.11 121.20 121.28 1raa s ILE 187 Ca 0.02 -1.14 -0.09 0.00 0.00 0.00 0.00 60.65 59.44 1raa s ILE 187 Cb -0.13 -1.50 0.01 0.00 0.01 0.00 0.00 42.46 40.85 1raa s ILE 187 CO 0.02 -0.47 0.19 0.00 0.00 0.00 0.00 174.94 174.67 1raa s ALA 188 N 1.66 -0.45 0.48 9.38 0.00 -1.26 -2.28 121.76 129.28 1raa s ALA 188 Ca 0.05 0.09 -0.22 0.00 0.00 0.00 0.00 51.96 51.87 1raa s ALA 188 Cb -0.17 0.02 -0.09 0.00 0.00 0.00 0.00 23.12 22.88 1raa s ALA 188 CO -0.18 -0.20 0.96 -2.30 0.00 0.00 0.00 175.76 174.04 1raa n PRO 189 N 1.68 1.18 -0.31 0.00 -0.02 -1.26 -4.83 135.00 131.44 1raa n PRO 189 Ca -0.21 0.43 0.06 0.00 -2.02 0.00 0.00 63.50 61.76 1raa n PRO 189 Cb 0.56 -2.04 0.26 0.00 -0.02 0.00 0.00 33.50 32.26 1raa n PRO 189 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1raa h ASP 190 N 1.19 0.87 0.92 2.55 3.32 -2.00 0.32 116.42 123.58 1raa h ASP 190 Ca -0.46 0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.62 1raa h ASP 190 Cb 1.35 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 40.74 1raa h ASP 190 CO 0.55 0.52 0.00 0.00 -1.72 0.00 0.00 179.24 178.59 1raa h ALA 191 N 1.53 1.00 -0.17 3.45 0.00 -2.00 -3.26 119.26 119.81 1raa h ALA 191 Ca 0.42 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 55.25 1raa h ALA 191 Cb 0.34 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.08 1raa h ALA 191 CO -0.18 0.00 -0.26 1.28 0.00 0.00 0.00 179.25 180.09 1raa n LEU 192 N -2.45 3.36 -4.59 0.00 4.77 0.11 -4.94 117.00 113.26 1raa n LEU 192 Ca 0.02 -3.76 -0.39 0.00 -0.03 0.00 0.00 56.01 51.86 1raa n LEU 192 Cb 0.28 -0.57 0.04 0.00 -2.33 0.00 0.00 43.42 40.84 1raa n LEU 192 CO 0.23 1.27 0.47 0.00 -1.33 0.00 0.00 177.39 178.03 1raa n ALA 193 N -1.12 -0.05 -2.01 -1.18 0.00 -1.11 0.01 120.51 115.06 1raa n ALA 193 Ca 0.25 0.05 -0.42 0.00 0.00 0.00 0.00 53.44 53.32 1raa n ALA 193 Cb 0.85 -2.05 -0.03 0.00 0.00 0.00 0.00 19.45 18.21 1raa n ALA 193 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 1raa s MET 194 N -2.48 4.24 0.55 0.00 1.75 -1.26 -2.85 119.30 119.26 1raa s MET 194 Ca 0.72 2.26 -0.21 0.00 -1.25 0.00 0.00 55.69 57.22 1raa s MET 194 Cb -0.45 -3.30 -0.06 0.00 2.84 0.00 0.00 34.83 33.86 1raa s MET 194 CO 0.50 -0.59 1.13 -2.30 -0.65 0.00 0.00 175.02 173.11 1raa n PRO 195 N 4.41 1.26 -0.22 4.11 -0.02 -1.26 -4.88 135.00 138.41 1raa n PRO 195 Ca 0.14 0.47 0.02 0.00 -2.02 0.00 0.00 63.50 62.11 1raa n PRO 195 Cb 0.40 -2.31 0.13 0.00 -0.02 0.00 0.00 33.50 31.70 1raa n PRO 195 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 1raa h GLN 196 N 1.00 0.36 0.00 -0.52 5.75 -1.99 -1.50 115.11 118.21 1raa h GLN 196 Ca -0.49 -0.02 0.00 0.00 -0.15 0.00 0.00 58.65 57.99 1raa h GLN 196 Cb 1.34 -0.08 0.00 0.00 1.07 0.00 0.00 27.48 29.81 1raa h GLN 196 CO 0.54 0.24 0.00 0.10 -2.65 0.00 0.00 178.83 177.06 1raa h TYR 197 N 0.37 0.00 0.04 3.99 -0.00 -1.98 0.39 116.97 119.78 1raa h TYR 197 Ca 0.34 0.00 -0.10 0.00 -0.00 0.00 0.00 58.73 58.96 1raa h TYR 197 Cb 0.47 0.00 -0.00 0.00 -0.00 0.00 0.00 36.73 37.20 1raa h TYR 197 CO -0.19 0.00 -0.52 0.82 -0.00 0.00 0.00 178.16 178.27 1raa h ILE 198 N 0.00 1.52 -0.67 -0.90 1.08 -1.66 -2.89 117.51 113.99 1raa h ILE 198 Ca 0.00 -2.37 -0.02 0.00 -0.39 0.00 0.00 64.86 62.08 1raa h ILE 198 Cb 0.04 3.10 -0.03 0.00 -3.07 0.00 0.00 36.82 36.86 1raa h ILE 198 CO 0.00 0.59 0.33 -0.07 -0.69 0.00 0.00 178.15 178.32 1raa h LEU 199 N -0.80 0.85 -0.11 1.44 3.38 -0.58 -0.79 115.31 118.71 1raa h LEU 199 Ca -0.12 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.76 1raa h LEU 199 Cb 1.26 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.79 1raa h LEU 199 CO 0.00 0.72 0.03 0.44 0.09 0.00 0.00 178.44 179.72 1raa h ASP 200 N 0.95 0.16 -0.97 -0.43 3.32 -0.44 -0.53 116.42 118.48 1raa h ASP 200 Ca 0.23 -0.21 0.06 0.00 0.02 0.00 0.00 57.03 57.14 1raa h ASP 200 Cb 0.08 -0.04 -0.06 0.00 0.22 0.00 0.00 39.33 39.53 1raa h ASP 200 CO -0.03 0.33 0.62 -0.03 -1.72 0.00 0.00 179.24 178.41 1raa h MET 201 N -0.01 1.11 -0.58 3.56 4.05 -1.21 -1.28 114.93 120.57 1raa h MET 201 Ca 0.04 -0.07 -0.10 0.00 -0.28 0.00 0.00 59.70 59.29 1raa h MET 201 Cb 0.22 -0.25 -0.02 0.00 -0.80 0.00 0.00 31.60 30.75 1raa h MET 201 CO -0.00 0.74 -0.02 -0.07 0.23 0.00 0.00 176.91 177.79 1raa h LEU 202 N 1.15 1.01 -0.19 3.39 3.38 -0.67 -2.88 115.31 120.49 1raa h LEU 202 Ca 0.41 -0.29 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 1raa h LEU 202 Cb 0.14 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 1raa h LEU 202 CO -0.16 1.07 0.04 0.44 0.09 0.00 0.00 178.44 179.91 1raa h ASP 203 N 0.94 0.30 0.22 -0.43 3.32 -0.60 -1.79 116.42 118.37 1raa h ASP 203 Ca 0.17 -0.25 0.00 0.00 0.02 0.00 0.00 57.03 56.97 1raa h ASP 203 Cb 0.57 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.04 1raa h ASP 203 CO 0.03 0.48 0.00 -0.08 -1.72 0.00 0.00 179.24 177.95 1raa h GLU 204 N 0.12 0.00 -0.52 3.56 4.81 -1.19 -0.11 114.58 121.25 1raa h GLU 204 Ca 0.06 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.29 1raa h GLU 204 Cb 0.30 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.68 1raa h GLU 204 CO 0.00 0.00 0.00 1.63 -0.73 0.00 0.00 179.01 179.91 1raa n LYS 205 N -2.47 3.10 -1.73 1.92 5.02 -0.75 -4.95 118.16 118.31 1raa n LYS 205 Ca -0.01 -2.54 -0.15 0.00 -2.02 0.00 0.00 58.31 53.59 1raa n LYS 205 Cb 0.10 -1.59 -0.04 0.00 -0.02 0.00 0.00 35.03 33.47 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 0.86 0.92 3.85 0.72 0.00 -0.06 -4.97 105.19 106.51 1raa n GLY 206 Ca 0.20 -0.29 -0.36 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.62 4.94 -0.06 -0.61 1.01 -0.76 -5.04 121.20 118.06 1raa s ILE 207 Ca 0.00 0.76 -0.19 0.00 0.00 0.00 0.00 60.65 61.21 1raa s ILE 207 Cb 0.00 -3.72 -0.05 0.00 0.01 0.00 0.00 42.46 38.70 1raa s ILE 207 CO 0.00 0.33 0.54 0.00 0.00 0.00 0.00 174.94 175.81 1raa s ALA 208 N -1.36 3.48 0.12 9.38 0.00 -1.26 -4.49 121.76 127.63 1raa s ALA 208 Ca 0.34 -0.07 -0.04 0.00 0.00 0.00 0.00 51.96 52.19 1raa s ALA 208 Cb -0.15 -2.69 -0.03 0.00 0.00 0.00 0.00 23.12 20.24 1raa s ALA 208 CO 0.18 0.10 0.11 1.67 0.00 0.00 0.00 175.76 177.82 1raa s TRP 209 N 0.16 0.60 0.19 0.00 1.48 -1.26 -1.01 118.94 119.09 1raa s TRP 209 Ca 0.29 -1.02 -0.17 0.00 -1.06 0.00 0.00 56.10 54.15 1raa s TRP 209 Cb -0.17 -0.32 0.03 0.00 -1.16 0.00 0.00 33.47 31.85 1raa s TRP 209 CO 0.14 -0.54 0.49 -1.54 -4.06 0.00 0.00 176.95 171.44 1raa s SER 210 N -2.98 -0.23 -0.10 -2.66 1.04 0.59 -4.92 113.70 104.44 1raa s SER 210 Ca 0.17 -0.50 -0.01 0.00 0.48 0.00 0.00 55.95 56.09 1raa s SER 210 Cb 0.06 0.56 -0.03 0.00 0.10 0.00 0.00 66.02 66.71 1raa s SER 210 CO -0.03 -1.02 -0.04 -0.76 0.98 0.00 0.00 173.24 172.37 1raa s LEU 211 N -2.88 3.30 0.04 2.42 1.02 -1.26 -0.46 118.68 120.85 1raa s LEU 211 Ca 0.09 -0.01 0.01 0.00 0.02 0.00 0.00 54.13 54.24 1raa s LEU 211 Cb -0.00 -1.75 -0.03 0.00 0.02 0.00 0.00 46.19 44.43 1raa s LEU 211 CO -0.03 0.31 -0.05 -1.00 0.02 0.00 0.00 176.35 175.60 1raa s HIS 212 N -0.51 0.46 -0.18 0.29 3.76 -0.90 -4.93 115.29 113.29 1raa s HIS 212 Ca 0.08 -0.63 0.17 0.00 -0.15 0.00 0.00 55.06 54.52 1raa s HIS 212 Cb -0.12 -0.31 0.50 0.00 1.11 0.00 0.00 32.58 33.77 1raa s HIS 212 CO 0.02 -0.19 1.39 0.43 -0.85 0.00 0.00 174.74 175.55 1raa n SER 213 N 1.21 3.64 -3.67 1.40 7.64 -1.26 -4.22 113.62 118.35 1raa n SER 213 Ca -0.21 -3.07 -0.12 0.00 1.01 0.00 0.00 58.87 56.48 1raa n SER 213 Cb 0.56 -0.54 -0.08 0.00 -1.01 0.00 0.00 64.21 63.14 1raa n SER 213 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1raa s SER 214 N -2.08 -0.67 0.40 6.43 0.15 -1.26 -5.01 113.70 111.67 1raa s SER 214 Ca 0.41 1.21 0.13 0.00 0.70 0.00 0.00 55.95 58.41 1raa s SER 214 Cb 0.34 1.18 0.83 0.00 -1.71 0.00 0.00 66.02 66.66 1raa s SER 214 CO 0.08 -0.21 1.89 0.40 1.20 0.00 0.00 173.24 176.60 1raa h ILE 215 N 4.56 1.21 0.00 6.45 2.04 -1.92 -2.56 117.51 127.28 1raa h ILE 215 Ca -0.30 -1.01 -0.00 0.00 1.00 0.00 0.00 64.86 64.55 1raa h ILE 215 Cb 1.18 1.54 -0.00 0.00 -0.74 0.00 0.00 36.82 38.80 1raa h ILE 215 CO 0.16 0.29 -0.01 -0.08 0.00 0.00 0.00 178.15 178.51 1raa h GLU 216 N 0.00 0.00 0.00 2.37 4.81 -1.94 0.29 114.58 120.11 1raa h GLU 216 Ca -0.00 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.20 1raa h GLU 216 Cb 0.52 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.90 1raa h GLU 216 CO 0.04 0.01 -0.11 0.93 -0.73 0.00 0.00 179.01 179.14 1raa h GLU 217 N 0.00 0.00 0.00 1.92 5.08 -1.88 -3.35 114.58 116.35 1raa h GLU 217 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1raa h GLU 217 Cb 0.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.27 1raa h GLU 217 CO 0.00 0.11 0.00 1.55 -1.00 0.00 0.00 179.01 179.67 1raa n VAL 218 N -3.59 0.00 -0.25 3.13 3.14 0.90 -4.84 118.33 116.82 1raa n VAL 218 Ca -0.02 -0.34 -0.06 0.00 -2.96 0.00 0.00 64.34 60.96 1raa n VAL 218 Cb 0.24 1.08 -0.01 0.00 -1.06 0.00 0.00 33.84 34.10 1raa n VAL 218 CO 0.00 0.00 0.00 -0.03 -6.46 0.00 0.00 176.83 170.34 1raa h MET 219 N 0.00 -0.14 -1.23 1.45 -1.53 -1.37 -1.62 114.93 110.49 1raa h MET 219 Ca 0.00 0.01 0.35 0.00 -3.44 0.00 0.00 59.70 56.62 1raa h MET 219 Cb 0.04 0.03 -0.06 0.00 -0.55 0.00 0.00 31.60 31.06 1raa h MET 219 CO 0.00 -0.09 0.86 0.00 0.14 0.00 0.00 176.91 177.82 1raa h ALA 220 N 0.91 2.99 -0.05 0.39 0.00 -1.87 0.30 119.26 121.94 1raa h ALA 220 Ca 0.23 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1raa h ALA 220 Cb 0.56 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1raa h ALA 220 CO -0.76 -1.38 0.00 0.39 0.00 0.00 0.00 179.25 177.50 1raa n GLU 221 N -4.28 2.14 -3.55 0.00 -0.58 -0.61 -4.59 120.64 109.17 1raa n GLU 221 Ca 0.28 -1.87 -0.37 0.00 -0.42 0.00 0.00 57.16 54.78 1raa n GLU 221 Cb 1.25 -1.43 -0.07 0.00 -0.57 0.00 0.00 31.44 30.62 1raa n GLU 221 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 1raa s VAL 222 N -1.84 5.27 -0.22 2.62 1.01 0.09 -4.71 120.40 122.63 1raa s VAL 222 Ca 0.27 0.59 -0.13 0.00 0.00 0.00 0.00 61.98 62.70 1raa s VAL 222 Cb 0.19 -3.63 -0.18 0.00 0.00 0.00 0.00 36.38 32.76 1raa s VAL 222 CO 0.28 0.44 -0.00 0.47 0.00 0.00 0.00 175.10 176.28 1raa n ASP 223 N 3.16 1.96 -4.06 3.32 8.00 -0.40 -4.50 116.55 124.04 1raa n ASP 223 Ca -0.13 0.28 -0.25 0.00 0.71 0.00 0.00 54.79 55.41 1raa n ASP 223 Cb 0.52 -0.82 -0.16 0.00 -0.02 0.00 0.00 41.12 40.64 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 -2.47 1.19 -0.32 0.53 -1.09 -1.09 -1.46 121.20 116.49 1raa s ILE 224 Ca -0.32 -0.54 0.03 0.00 -2.23 0.00 0.00 60.65 57.59 1raa s ILE 224 Cb 0.09 -1.06 0.09 0.00 -1.58 0.00 0.00 42.46 40.01 1raa s ILE 224 CO 0.59 0.36 0.03 -0.22 -1.23 0.00 0.00 174.94 174.47 1raa s LEU 225 N 0.41 4.32 -0.44 2.97 2.96 0.26 -0.51 118.68 128.65 1raa s LEU 225 Ca -0.10 -1.99 -0.17 0.00 -0.22 0.00 0.00 54.13 51.65 1raa s LEU 225 Cb -0.14 -1.54 0.03 0.00 0.50 0.00 0.00 46.19 45.05 1raa s LEU 225 CO 0.03 -0.36 0.46 -0.47 -1.32 0.00 0.00 176.35 174.69 1raa s TYR 226 N 1.00 3.16 0.35 5.38 6.14 -0.45 -1.94 117.35 131.00 1raa s TYR 226 Ca 0.08 -0.45 -0.03 0.00 0.64 0.00 0.00 57.07 57.31 1raa s TYR 226 Cb -0.19 -3.00 -0.04 0.00 0.42 0.00 0.00 41.96 39.15 1raa s TYR 226 CO -0.09 -0.75 0.60 -1.64 0.64 0.00 0.00 175.55 174.31 1raa s MET 227 N 2.15 3.55 0.04 4.97 -1.94 -0.82 -1.36 119.30 125.89 1raa s MET 227 Ca 0.12 -0.10 -0.01 0.00 -1.71 0.00 0.00 55.69 53.99 1raa s MET 227 Cb -0.18 -2.60 -0.03 0.00 2.01 0.00 0.00 34.83 34.03 1raa s MET 227 CO 0.13 0.10 -0.03 0.99 -0.01 0.00 0.00 175.02 176.19 1raa s THR 228 N -2.32 0.20 -0.07 2.05 2.01 -0.50 -4.43 115.64 112.57 1raa s THR 228 Ca 0.43 -1.53 -0.30 0.00 0.31 0.00 0.00 61.69 60.60 1raa s THR 228 Cb -0.10 -1.13 -0.05 0.00 0.01 0.00 0.00 72.50 71.24 1raa s THR 228 CO 0.36 -0.84 1.52 -0.60 -0.69 0.00 0.00 174.62 174.36 1raa s ARG 229 N -3.14 4.21 -0.16 4.92 6.06 -1.26 -4.59 118.95 124.98 1raa s ARG 229 Ca -0.00 2.03 -0.16 0.00 -2.50 0.00 0.00 55.73 55.09 1raa s ARG 229 Cb 0.02 -3.85 -0.04 0.00 0.06 0.00 0.00 34.95 31.14 1raa s ARG 229 CO -0.07 -0.76 0.39 0.08 -2.50 0.00 0.00 175.30 172.44 1raa s VAL 230 N 3.59 5.22 -0.17 7.11 1.01 -1.26 -4.38 120.40 131.51 1raa s VAL 230 Ca 0.67 0.74 -0.16 0.00 0.00 0.00 0.00 61.98 63.24 1raa s VAL 230 Cb -0.30 -3.73 -0.04 0.00 0.00 0.00 0.00 36.38 32.30 1raa s VAL 230 CO 0.25 0.31 0.38 -1.10 0.00 0.00 0.00 175.10 174.94 1raa s GLN 231 N 0.87 4.23 0.00 2.72 1.11 -1.26 -4.96 119.66 122.37 1raa s GLN 231 Ca 0.21 0.20 0.04 0.00 0.01 0.00 0.00 55.36 55.82 1raa s GLN 231 Cb -0.14 -3.48 0.23 0.00 -1.01 0.00 0.00 33.01 28.61 1raa s GLN 231 CO 0.07 0.08 0.68 0.36 0.01 0.00 0.00 175.29 176.49 1raa n LYS 232 N 4.05 0.14 0.08 2.91 2.85 -1.26 -1.35 118.16 125.59 1raa n LYS 232 Ca -0.09 0.00 0.12 0.00 -1.05 0.00 0.00 58.31 57.28 1raa n LYS 232 Cb 0.51 -1.45 0.03 0.00 -0.65 0.00 0.00 35.03 33.47 1raa n LYS 232 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 1raa n GLU 233 N -0.95 0.51 0.00 -1.58 4.71 -1.26 -3.80 120.64 118.27 1raa n GLU 233 Ca 0.03 0.09 0.13 0.00 -0.01 0.00 0.00 57.16 57.40 1raa n GLU 233 Cb 0.01 -1.77 0.70 0.00 -1.01 0.00 0.00 31.44 29.38 1raa n GLU 233 CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 177.13 177.76 1raa n ARG 234 N -2.48 0.56 -4.09 3.49 5.12 -0.45 -4.83 116.66 113.97 1raa n ARG 234 Ca 0.01 0.03 -0.14 0.00 -1.93 0.00 0.00 57.85 55.82 1raa n ARG 234 Cb 0.52 -1.50 -0.05 0.00 -1.16 0.00 0.00 32.46 30.27 1raa n ARG 234 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 1raa s LEU 235 N -2.32 0.95 0.47 0.55 1.43 -1.25 -5.03 118.68 113.48 1raa s LEU 235 Ca 0.31 -1.40 0.07 0.00 -1.03 0.00 0.00 54.13 52.08 1raa s LEU 235 Cb 0.17 1.37 0.03 0.00 0.03 0.00 0.00 46.19 47.79 1raa s LEU 235 CO 0.35 -1.22 0.65 1.51 0.23 0.00 0.00 176.35 177.87 1raa s ASP 236 N -3.20 5.48 0.17 2.29 -4.77 -1.26 -4.90 116.67 110.47 1raa s ASP 236 Ca 0.30 -0.40 -0.21 0.00 -3.30 0.00 0.00 52.55 48.95 1raa s ASP 236 Cb 0.00 -0.56 0.08 0.00 -1.09 0.00 0.00 42.92 41.36 1raa s ASP 236 CO 0.18 -0.94 1.61 -0.65 0.70 0.00 0.00 175.17 176.07 1raa h PRO 237 N 0.44 -0.20 0.00 2.11 0.11 -2.00 -0.60 132.00 131.86 1raa h PRO 237 Ca -0.39 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.73 1raa h PRO 237 Cb 1.28 0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.44 1raa h PRO 237 CO 0.46 -0.13 0.00 0.77 -0.21 0.00 0.00 178.00 178.88 1raa h SER 238 N -0.21 0.00 0.07 -2.05 0.02 -1.97 -1.34 113.55 108.07 1raa h SER 238 Ca 0.19 0.00 -0.19 0.00 -0.84 0.00 0.00 61.79 60.95 1raa h SER 238 Cb 0.51 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.05 1raa h SER 238 CO -0.54 0.00 -0.96 -0.08 -1.14 0.00 0.00 176.83 174.11 1raa h GLU 239 N 0.00 0.15 0.20 3.45 4.81 -1.51 -2.24 114.58 119.44 1raa h GLU 239 Ca 0.00 -0.25 0.01 0.00 -0.13 0.00 0.00 59.36 58.99 1raa h GLU 239 Cb 0.30 0.09 -0.04 0.00 0.63 0.00 0.00 28.75 29.73 1raa h GLU 239 CO 0.00 1.12 -0.37 -0.92 -0.73 0.00 0.00 179.01 178.11 1raa h TYR 240 N -0.62 -1.02 -0.60 0.92 5.03 -1.24 -0.69 116.97 118.76 1raa h TYR 240 Ca -0.22 0.02 0.07 0.00 2.58 0.00 0.00 58.73 61.18 1raa h TYR 240 Cb 1.47 0.42 -0.04 0.00 1.55 0.00 0.00 36.73 40.14 1raa h TYR 240 CO 0.17 -0.49 0.40 0.00 -1.32 0.00 0.00 178.16 176.92 1raa h ALA 241 N -0.13 1.87 -3.00 1.82 0.00 -1.37 0.73 119.26 119.18 1raa h ALA 241 Ca 0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1raa h ALA 241 Cb 0.65 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1raa h ALA 241 CO -0.17 0.02 0.00 -1.71 0.00 0.00 0.00 179.25 177.40 1raa n ASN 242 N -4.48 0.00 -0.82 0.00 2.85 -0.26 -4.20 115.26 108.34 1raa n ASN 242 Ca 0.09 0.00 0.10 0.00 -0.11 0.00 0.00 54.58 54.66 1raa n ASN 242 Cb 0.27 0.00 0.28 0.00 1.24 0.00 0.00 39.78 41.58 1raa n ASN 242 CO 0.00 0.00 0.00 0.55 -2.11 0.00 0.00 177.26 175.70 1raa n VAL 243 N 0.00 0.41 -0.02 3.44 3.14 -1.26 -4.07 118.33 119.96 1raa n VAL 243 Ca 0.00 -0.54 -0.04 0.00 -2.96 0.00 0.00 64.34 60.80 1raa n VAL 243 Cb 0.00 0.55 -0.12 0.00 -1.06 0.00 0.00 33.84 33.20 1raa n VAL 243 CO 0.00 0.00 0.00 0.29 -6.46 0.00 0.00 176.83 170.66 1raa n LYS 244 N 0.83 0.64 -1.08 1.45 5.02 -1.25 -4.43 118.16 119.33 1raa n LYS 244 Ca 0.17 0.15 -0.32 0.00 -2.02 0.00 0.00 58.31 56.29 1raa n LYS 244 Cb 0.43 -1.71 -0.02 0.00 -0.02 0.00 0.00 35.03 33.71 1raa n LYS 244 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1raa n ALA 245 N -2.51 5.77 -2.75 7.82 0.00 0.25 -3.94 120.51 125.15 1raa n ALA 245 Ca -0.17 -2.86 -0.10 0.00 0.00 0.00 0.00 53.44 50.31 1raa n ALA 245 Cb 0.95 -3.25 0.04 0.00 0.00 0.00 0.00 19.45 17.19 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 4.37 1.12 -3.04 0.00 6.02 -1.26 -4.74 117.38 119.85 1raa n GLN 246 Ca 0.59 -2.97 -0.26 0.00 -0.01 0.00 0.00 57.00 54.35 1raa n GLN 246 Cb 0.21 -1.10 -0.04 0.00 1.02 0.00 0.00 30.24 30.33 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 -0.08 3.40 -3.99 1.08 3.01 -1.25 -4.96 117.46 114.67 1raa n PHE 247 Ca 0.09 -3.98 -0.17 0.00 1.01 0.00 0.00 57.45 54.40 1raa n PHE 247 Cb 0.80 -0.49 -0.16 0.00 -0.01 0.00 0.00 39.48 39.62 1raa n PHE 247 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 1raa s VAL 248 N -3.90 0.24 -0.12 -4.37 0.11 -1.26 -4.80 120.40 106.31 1raa s VAL 248 Ca 0.46 0.02 -0.11 0.00 -2.93 0.00 0.00 61.98 59.42 1raa s VAL 248 Cb 0.27 -0.31 -0.05 0.00 -1.53 0.00 0.00 36.38 34.77 1raa s VAL 248 CO -0.12 0.15 0.24 -0.22 -3.33 0.00 0.00 175.10 171.82 1raa s LEU 249 N 0.83 4.34 0.30 2.54 2.96 0.52 -4.97 118.68 125.20 1raa s LEU 249 Ca -0.09 0.55 0.06 0.00 -0.22 0.00 0.00 54.13 54.43 1raa s LEU 249 Cb -0.12 -2.27 -0.06 0.00 0.50 0.00 0.00 46.19 44.24 1raa s LEU 249 CO -0.01 0.27 -0.01 -0.13 -1.32 0.00 0.00 176.35 175.14 1raa s ARG 250 N -0.40 1.61 0.25 1.98 0.52 -1.26 0.16 118.95 121.81 1raa s ARG 250 Ca 0.16 -1.85 -0.04 0.00 -0.52 0.00 0.00 55.73 53.48 1raa s ARG 250 Cb -0.13 -1.09 0.28 0.00 0.52 0.00 0.00 34.95 34.53 1raa s ARG 250 CO 0.05 -0.05 1.75 0.00 0.02 0.00 0.00 175.30 177.07 1raa h ALA 251 N 2.18 1.07 -0.10 2.13 0.00 -1.87 -2.99 119.26 119.68 1raa h ALA 251 Ca -0.41 -0.26 0.03 0.00 0.00 0.00 0.00 54.91 54.28 1raa h ALA 251 Cb 1.24 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.81 1raa h ALA 251 CO 0.69 0.59 0.07 0.66 0.00 0.00 0.00 179.25 181.27 1raa h SER 252 N 0.83 0.00 0.49 0.00 4.64 -1.97 -2.30 113.55 115.25 1raa h SER 252 Ca 0.17 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.45 1raa h SER 252 Cb 0.42 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.51 1raa h SER 252 CO 0.01 0.00 -0.16 0.44 -0.87 0.00 0.00 176.83 176.25 1raa h ASP 253 N 0.00 0.00 -0.03 4.97 3.32 -1.95 -2.43 116.42 120.30 1raa h ASP 253 Ca 0.05 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.10 1raa h ASP 253 Cb 0.18 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.73 1raa h ASP 253 CO -0.00 0.16 0.00 0.18 -1.72 0.00 0.00 179.24 177.86 1raa n LEU 254 N -3.61 0.17 0.08 1.55 4.77 -0.86 -4.33 117.00 114.77 1raa n LEU 254 Ca -0.01 -0.08 0.11 0.00 -0.03 0.00 0.00 56.01 55.99 1raa n LEU 254 Cb 0.29 -0.02 0.58 0.00 -2.33 0.00 0.00 43.42 41.95 1raa n LEU 254 CO 0.31 0.04 1.14 0.45 -1.33 0.00 0.00 177.39 178.00 1raa h HIS 255 N 0.20 0.19 -0.42 -1.77 3.86 -1.61 0.37 115.15 115.96 1raa h HIS 255 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1raa h HIS 255 Cb 0.04 -0.06 0.00 0.00 1.06 0.00 0.00 27.41 28.45 1raa h HIS 255 CO 0.02 0.10 0.00 0.27 0.86 0.00 0.00 177.93 179.18 1raa n ASN 256 N -4.48 3.73 -4.78 2.45 2.04 -1.26 -4.99 115.26 107.98 1raa n ASN 256 Ca 0.04 -2.41 -0.36 0.00 -0.44 0.00 0.00 54.58 51.41 1raa n ASN 256 Cb 0.27 -0.42 -0.02 0.00 -2.53 0.00 0.00 39.78 37.08 1raa n ASN 256 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1raa s ALA 257 N -1.75 2.92 0.81 -2.53 0.00 0.12 -4.32 121.76 117.01 1raa s ALA 257 Ca 0.37 0.78 -0.13 0.00 0.00 0.00 0.00 51.96 52.98 1raa s ALA 257 Cb 0.24 -3.32 0.08 0.00 0.00 0.00 0.00 23.12 20.12 1raa s ALA 257 CO 0.17 -0.50 1.15 1.63 0.00 0.00 0.00 175.76 178.21 1raa n LYS 258 N -0.67 0.15 0.29 0.00 5.02 -1.26 -4.85 118.16 116.83 1raa n LYS 258 Ca 0.08 0.13 0.14 0.00 -2.02 0.00 0.00 58.31 56.64 1raa n LYS 258 Cb 0.50 -2.39 0.87 0.00 -0.02 0.00 0.00 35.03 33.99 1raa n LYS 258 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1raa h ALA 259 N -0.94 1.46 -0.02 7.82 0.00 -1.95 -2.17 119.26 123.46 1raa h ALA 259 Ca -0.46 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1raa h ALA 259 Cb 1.30 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1raa h ALA 259 CO 0.45 0.04 -0.32 0.27 0.00 0.00 0.00 179.25 179.69 1raa n ASN 260 N -3.79 1.86 -4.77 0.00 0.23 -1.26 -4.97 115.26 102.55 1raa n ASN 260 Ca -0.03 -1.42 -0.40 0.00 -0.53 0.00 0.00 54.58 52.21 1raa n ASN 260 Cb 0.12 0.29 0.00 0.00 -2.08 0.00 0.00 39.78 38.11 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 -2.39 3.96 0.07 -3.83 1.75 -0.82 -4.91 119.30 113.13 1raa s MET 261 Ca 0.23 2.38 0.05 0.00 -1.25 0.00 0.00 55.69 57.10 1raa s MET 261 Cb 0.19 -2.82 -0.03 0.00 2.84 0.00 0.00 34.83 35.01 1raa s MET 261 CO 0.51 -0.58 -0.15 0.15 -0.65 0.00 0.00 175.02 174.30 1raa s LYS 262 N -2.21 0.88 -0.26 4.11 -0.14 -0.54 -4.50 119.74 117.09 1raa s LYS 262 Ca 0.56 -0.93 -0.06 0.00 -1.36 0.00 0.00 55.97 54.18 1raa s LYS 262 Cb -0.43 -0.92 -0.01 0.00 -1.68 0.00 0.00 37.83 34.80 1raa s LYS 262 CO 0.56 0.21 0.04 0.08 -0.76 0.00 0.00 175.35 175.48 1raa s VAL 263 N -1.16 3.89 0.12 3.17 1.01 0.11 -0.57 120.40 126.97 1raa s VAL 263 Ca -0.00 -0.46 0.07 0.00 0.00 0.00 0.00 61.98 61.60 1raa s VAL 263 Cb -0.09 -2.87 -0.04 0.00 0.00 0.00 0.00 36.38 33.37 1raa s VAL 263 CO 0.02 0.27 -0.09 -0.76 0.00 0.00 0.00 175.10 174.54 1raa s LEU 264 N 1.53 3.04 -0.30 3.92 1.02 -0.82 -0.89 118.68 126.19 1raa s LEU 264 Ca 0.05 -0.42 -0.11 0.00 0.02 0.00 0.00 54.13 53.67 1raa s LEU 264 Cb -0.16 -1.82 0.13 0.00 0.02 0.00 0.00 46.19 44.36 1raa s LEU 264 CO 0.01 0.16 0.67 -2.28 0.02 0.00 0.00 176.35 174.93 1raa s HIS 265 N -1.31 -1.29 0.59 0.29 2.46 -1.26 -1.95 115.29 112.82 1raa s HIS 265 Ca 0.22 2.26 0.29 0.00 0.47 0.00 0.00 55.06 58.31 1raa s HIS 265 Cb -0.11 0.77 1.36 0.00 -0.13 0.00 0.00 32.58 34.48 1raa s HIS 265 CO 0.14 -0.64 1.75 -1.00 -2.47 0.00 0.00 174.74 172.52 1raa h PRO 266 N 7.87 0.00 -1.46 2.88 0.13 -1.95 -3.47 132.00 136.01 1raa h PRO 266 Ca -0.19 0.00 0.15 0.00 -0.87 0.00 0.00 66.00 65.09 1raa h PRO 266 Cb 1.11 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.17 1raa h PRO 266 CO 0.11 0.00 -0.51 1.28 -0.23 0.00 0.00 178.00 178.65 1raa n LEU 267 N -3.63 -0.42 -4.77 1.56 4.77 -1.26 -5.02 117.00 108.23 1raa n LEU 267 Ca 0.13 0.99 -0.37 0.00 -0.03 0.00 0.00 56.01 56.73 1raa n LEU 267 Cb 0.92 -1.39 -0.01 0.00 -2.33 0.00 0.00 43.42 40.61 1raa n LEU 267 CO 0.28 -0.95 0.83 -2.16 -1.33 0.00 0.00 177.39 174.05 1raa s PRO 268 N -3.37 3.82 -0.19 3.23 0.04 -1.26 -5.04 135.00 132.22 1raa s PRO 268 Ca 0.00 1.78 -0.10 0.00 0.04 0.00 0.00 61.00 62.72 1raa s PRO 268 Cb 0.00 -2.46 -0.05 0.00 0.04 0.00 0.00 34.50 32.03 1raa s PRO 268 CO 0.00 -0.50 0.13 0.50 0.04 0.00 0.00 177.00 177.17 1raa s ARG 269 N -2.62 4.13 -0.14 4.56 3.00 -1.26 -4.75 118.95 121.87 1raa s ARG 269 Ca 0.62 -0.22 -0.14 0.00 -1.00 0.00 0.00 55.73 54.99 1raa s ARG 269 Cb -0.29 -3.40 -0.06 0.00 0.00 0.00 0.00 34.95 31.21 1raa s ARG 269 CO 0.35 0.33 -0.29 0.28 0.00 0.00 0.00 175.30 175.98 1raa n VAL 270 N 3.41 1.42 -0.58 7.11 0.31 -1.26 -4.96 118.33 123.79 1raa n VAL 270 Ca -0.16 0.12 0.00 0.00 -0.01 0.00 0.00 64.34 64.29 1raa n VAL 270 Cb 0.52 -2.16 0.00 0.00 -0.91 0.00 0.00 33.84 31.30 1raa n VAL 270 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 1raa n ASP 271 N -4.25 0.01 0.15 4.52 5.68 -1.26 -4.82 116.55 116.58 1raa n ASP 271 Ca -0.16 -0.59 0.09 0.00 -0.50 0.00 0.00 54.79 53.63 1raa n ASP 271 Cb 0.48 0.01 0.49 0.00 -1.14 0.00 0.00 41.12 40.95 1raa n ASP 271 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 1raa n GLU 272 N -0.01 0.12 -3.99 0.11 0.00 -1.26 -4.24 120.64 111.37 1raa n GLU 272 Ca 0.00 0.61 -0.25 0.00 0.00 0.00 0.00 57.16 57.52 1raa n GLU 272 Cb 0.14 -1.94 -0.17 0.00 0.00 0.00 0.00 31.44 29.47 1raa n GLU 272 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.13 177.55 1raa s ILE 273 N -3.44 0.81 0.41 3.84 1.01 -1.26 -0.35 121.20 122.21 1raa s ILE 273 Ca -0.02 -0.18 -0.22 0.00 0.00 0.00 0.00 60.65 60.22 1raa s ILE 273 Cb 0.05 -0.85 -0.10 0.00 0.01 0.00 0.00 42.46 41.57 1raa s ILE 273 CO 0.16 0.32 0.96 0.00 0.00 0.00 0.00 174.94 176.39 1raa s ALA 274 N 1.53 3.06 0.64 9.38 0.00 0.12 -4.91 121.76 131.59 1raa s ALA 274 Ca 0.00 0.47 0.23 0.00 0.00 0.00 0.00 51.96 52.67 1raa s ALA 274 Cb -0.13 -3.18 1.22 0.00 0.00 0.00 0.00 23.12 21.03 1raa s ALA 274 CO -0.05 0.07 1.68 1.15 0.00 0.00 0.00 175.76 178.61 1raa h THR 275 N 2.04 0.08 0.00 0.00 2.02 -1.93 -1.06 112.91 114.06 1raa h THR 275 Ca -0.49 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.69 1raa h THR 275 Cb 1.19 0.47 0.00 0.00 -1.74 0.00 0.00 68.15 68.07 1raa h THR 275 CO 0.62 0.00 -0.09 -0.90 0.37 0.00 0.00 175.52 175.52 1raa n ASP 276 N -3.02 0.10 0.06 4.18 5.75 -1.26 -2.87 116.55 119.49 1raa n ASP 276 Ca 0.03 0.37 -0.09 0.00 -0.01 0.00 0.00 54.79 55.09 1raa n ASP 276 Cb 0.66 -0.38 0.04 0.00 -1.03 0.00 0.00 41.12 40.41 1raa n ASP 276 CO 0.00 0.00 0.00 0.58 -0.11 0.00 0.00 177.20 177.67 1raa h VAL 277 N 0.00 1.40 -1.00 2.12 2.07 -1.54 -3.17 116.25 116.14 1raa h VAL 277 Ca 0.00 -2.21 0.24 0.00 0.82 0.00 0.00 66.70 65.56 1raa h VAL 277 Cb 0.51 2.16 -0.08 0.00 -1.52 0.00 0.00 31.29 32.36 1raa h VAL 277 CO 0.00 0.66 0.65 0.44 0.02 0.00 0.00 177.57 179.34 1raa h ASP 278 N 0.22 0.42 0.40 0.57 3.32 -1.69 -1.16 116.42 118.51 1raa h ASP 278 Ca -0.03 0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.08 1raa h ASP 278 Cb 1.31 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.85 1raa h ASP 278 CO 0.12 0.12 0.00 0.29 -1.72 0.00 0.00 179.24 178.05 1raa n LYS 279 N -4.56 0.57 -1.95 3.56 5.02 -1.20 -4.78 118.16 114.82 1raa n LYS 279 Ca 0.23 0.00 -0.32 0.00 -2.02 0.00 0.00 58.31 56.21 1raa n LYS 279 Cb 0.82 -1.50 0.01 0.00 -0.02 0.00 0.00 35.03 34.34 1raa n LYS 279 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1raa s THR 280 N -2.41 4.28 -0.99 -0.18 2.01 -0.44 -4.97 115.64 112.93 1raa s THR 280 Ca 0.33 0.89 0.19 0.00 0.31 0.00 0.00 61.69 63.41 1raa s THR 280 Cb 0.20 -3.59 0.16 0.00 0.01 0.00 0.00 72.50 69.28 1raa s THR 280 CO 0.43 -0.81 1.61 -0.81 -0.69 0.00 0.00 174.62 174.34 1raa n PRO 281 N -2.42 0.01 0.05 4.92 -0.04 -1.26 -3.58 135.00 132.68 1raa n PRO 281 Ca 0.07 0.18 0.13 0.00 -0.04 0.00 0.00 63.50 63.84 1raa n PRO 281 Cb 0.54 -1.51 0.41 0.00 -0.04 0.00 0.00 33.50 32.90 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 -1.52 0.41 -2.39 0.54 8.25 -1.26 -4.78 115.22 114.47 1raa n HIS 282 Ca 0.04 0.12 -0.42 0.00 -0.26 0.00 0.00 57.72 57.21 1raa n HIS 282 Cb 0.22 -0.64 -0.03 0.00 1.12 0.00 0.00 29.99 30.67 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 -3.06 2.82 -0.13 -1.41 0.00 -1.23 -0.71 121.76 118.03 1raa s ALA 283 Ca 0.11 -0.64 0.18 0.00 0.00 0.00 0.00 51.96 51.61 1raa s ALA 283 Cb 0.16 -4.09 0.30 0.00 0.00 0.00 0.00 23.12 19.49 1raa s ALA 283 CO 0.61 -2.91 1.17 1.87 0.00 0.00 0.00 175.76 176.51 1raa n TRP 284 N 9.55 0.11 0.07 0.00 -0.00 -0.07 -4.74 117.44 122.35 1raa n TRP 284 Ca 0.13 -0.96 0.00 0.00 -0.00 0.00 0.00 57.50 56.67 1raa n TRP 284 Cb 0.49 -0.16 0.32 0.00 -0.00 0.00 0.00 31.31 31.96 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 0.21 0.38 0.06 5.87 -0.00 -1.81 -1.49 116.97 120.19 1raa h TYR 285 Ca 0.00 -0.05 -0.24 0.00 -0.00 0.00 0.00 58.73 58.44 1raa h TYR 285 Cb 1.03 -0.10 -0.01 0.00 -0.00 0.00 0.00 36.73 37.65 1raa h TYR 285 CO 0.06 0.49 -1.06 0.74 -0.00 0.00 0.00 178.16 178.38 1raa h PHE 286 N 0.33 0.37 0.00 0.10 0.04 -1.92 -2.81 116.94 113.05 1raa h PHE 286 Ca 0.06 -0.24 -0.06 0.00 2.80 0.00 0.00 57.97 60.53 1raa h PHE 286 Cb 0.44 -0.03 -0.01 0.00 2.20 0.00 0.00 35.95 38.56 1raa h PHE 286 CO 0.01 1.13 -0.29 1.96 -0.60 0.00 0.00 178.31 180.52 1raa h GLN 287 N 0.09 0.00 -0.01 1.51 7.50 -1.87 -1.68 115.11 120.65 1raa h GLN 287 Ca -0.08 0.00 -0.00 0.00 0.50 0.00 0.00 58.65 59.07 1raa h GLN 287 Cb 1.76 0.00 -0.00 0.00 0.05 0.00 0.00 27.48 29.29 1raa h GLN 287 CO 0.17 0.29 -0.00 0.37 -1.50 0.00 0.00 178.83 178.16 1raa h GLN 288 N 0.00 0.01 0.00 1.46 4.15 -1.14 -1.88 115.11 117.71 1raa h GLN 288 Ca -0.00 -0.01 -0.04 0.00 0.77 0.00 0.00 58.65 59.37 1raa h GLN 288 Cb 0.59 -0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.27 1raa h GLN 288 CO 0.04 0.35 -0.18 0.00 -1.93 0.00 0.00 178.83 177.10 1raa h ALA 289 N 0.67 1.65 -0.51 3.38 0.00 -1.08 -1.11 119.26 122.27 1raa h ALA 289 Ca 0.00 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.65 1raa h ALA 289 Cb 0.34 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1raa h ALA 289 CO 0.00 0.23 -0.05 0.78 0.00 0.00 0.00 179.25 180.21 1raa h GLY 290 N 0.58 1.00 2.00 0.00 0.00 -1.25 -2.64 103.07 102.76 1raa h GLY 290 Ca -0.00 -0.78 -0.00 0.00 0.00 0.00 0.00 47.33 46.55 1raa h GLY 290 CO 0.02 0.71 -0.00 3.43 0.00 0.00 0.00 176.54 180.70 1raa h ASN 291 N 0.79 0.00 -0.36 0.19 2.35 -0.36 -2.16 115.58 116.03 1raa h ASN 291 Ca 0.14 0.00 0.05 0.00 -0.55 0.00 0.00 56.30 55.94 1raa h ASN 291 Cb 0.59 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.94 1raa h ASN 291 CO 0.04 0.00 0.25 1.23 -1.65 0.00 0.00 177.43 177.29 1raa h GLY 292 N 0.15 0.33 0.95 2.83 0.00 -1.16 -1.82 103.07 104.36 1raa h GLY 292 Ca -0.00 -0.11 -0.02 0.00 0.00 0.00 0.00 47.33 47.20 1raa h GLY 292 CO 0.00 0.09 0.18 -2.22 0.00 0.00 0.00 176.54 174.59 1raa h ILE 293 N 0.28 1.19 0.13 2.60 1.08 -1.53 -1.53 117.51 119.73 1raa h ILE 293 Ca 0.16 -0.57 -0.30 0.00 -0.39 0.00 0.00 64.86 63.75 1raa h ILE 293 Cb 0.28 0.79 -0.00 0.00 -3.07 0.00 0.00 36.82 34.82 1raa h ILE 293 CO -0.03 0.21 -1.48 -0.26 -0.69 0.00 0.00 178.15 175.90 1raa h PHE 294 N 0.53 0.51 -0.42 1.37 0.04 -1.52 -2.10 116.94 115.35 1raa h PHE 294 Ca 0.14 -0.37 0.01 0.00 2.80 0.00 0.00 57.97 60.54 1raa h PHE 294 Cb 0.17 -0.02 -0.02 0.00 2.20 0.00 0.00 35.95 38.27 1raa h PHE 294 CO -0.00 1.39 0.27 0.00 -0.60 0.00 0.00 178.31 179.37 1raa h ALA 295 N 0.47 0.53 -0.32 2.45 0.00 -1.40 -1.23 119.26 119.75 1raa h ALA 295 Ca -0.23 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.60 1raa h ALA 295 Cb 2.02 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 19.64 1raa h ALA 295 CO 0.18 -0.02 -0.01 0.00 0.00 0.00 0.00 179.25 179.40 1raa h ARG 296 N 0.56 0.58 -0.87 0.00 2.47 -1.32 -2.78 114.38 113.03 1raa h ARG 296 Ca 0.16 -0.19 0.12 0.00 -1.26 0.00 0.00 59.98 58.80 1raa h ARG 296 Cb -0.05 -0.05 -0.08 0.00 -1.65 0.00 0.00 29.97 28.13 1raa h ARG 296 CO -0.04 0.72 0.49 1.96 0.56 0.00 0.00 179.97 183.66 1raa h GLN 297 N 0.38 0.75 -0.15 0.04 4.20 -1.30 -2.27 115.11 116.76 1raa h GLN 297 Ca 0.09 -0.05 -0.08 0.00 0.06 0.00 0.00 58.65 58.68 1raa h GLN 297 Cb 0.46 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 28.06 1raa h GLN 297 CO 0.02 0.50 -0.24 0.00 -0.67 0.00 0.00 178.83 178.43 1raa h ALA 298 N 1.50 1.32 -0.13 3.87 0.00 -0.95 -0.89 119.26 123.97 1raa h ALA 298 Ca 0.44 -0.30 -0.09 0.00 0.00 0.00 0.00 54.91 54.96 1raa h ALA 298 Cb 0.48 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1raa h ALA 298 CO -0.29 0.47 -0.26 1.25 0.00 0.00 0.00 179.25 180.41 1raa h LEU 299 N 0.24 0.46 -0.66 0.00 5.85 -1.25 -0.47 115.31 119.49 1raa h LEU 299 Ca 0.04 -0.55 -0.01 0.00 0.84 0.00 0.00 57.88 58.20 1raa h LEU 299 Cb 0.57 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.43 1raa h LEU 299 CO 0.04 0.93 0.39 -0.07 -0.34 0.00 0.00 178.44 179.39 1raa h LEU 300 N 0.01 0.80 0.75 2.25 3.38 -1.26 0.08 115.31 121.33 1raa h LEU 300 Ca 0.01 -0.07 -0.04 0.00 0.09 0.00 0.00 57.88 57.87 1raa h LEU 300 Cb 0.85 -0.20 0.01 0.00 0.09 0.00 0.00 40.66 41.41 1raa h LEU 300 CO 0.06 0.64 -0.36 0.00 0.09 0.00 0.00 178.44 178.87 1raa h ALA 301 N 1.20 -1.25 -0.61 1.53 0.00 -1.02 -1.83 119.26 117.28 1raa h ALA 301 Ca 0.24 -0.22 0.16 0.00 0.00 0.00 0.00 54.91 55.08 1raa h ALA 301 Cb -0.00 0.39 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 1raa h ALA 301 CO -0.04 -1.17 0.43 -0.07 0.00 0.00 0.00 179.25 178.39 1raa h LEU 302 N -1.03 0.11 0.14 0.00 3.38 -0.95 -0.60 115.31 116.36 1raa h LEU 302 Ca -0.10 0.01 -0.30 0.00 0.09 0.00 0.00 57.88 57.58 1raa h LEU 302 Cb 0.78 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.51 1raa h LEU 302 CO 0.17 0.06 -1.41 0.58 0.09 0.00 0.00 178.44 177.93 1raa h VAL 303 N 0.12 1.31 -0.01 1.22 2.07 -0.84 -3.25 116.25 116.87 1raa h VAL 303 Ca 0.29 -2.89 0.00 0.00 0.82 0.00 0.00 66.70 64.92 1raa h VAL 303 Cb 0.99 2.87 0.00 0.00 -1.52 0.00 0.00 31.29 33.62 1raa h VAL 303 CO -0.03 0.85 -0.53 0.18 0.02 0.00 0.00 177.57 178.06 1raa n LEU 304 N -3.51 1.11 -4.03 2.57 4.77 -0.70 -1.16 117.00 116.04 1raa n LEU 304 Ca -0.13 -0.36 -0.31 0.00 -0.03 0.00 0.00 56.01 55.18 1raa n LEU 304 Cb 1.04 -0.10 -0.16 0.00 -2.33 0.00 0.00 43.42 41.87 1raa n LEU 304 CO 0.53 0.23 -0.48 0.21 -1.33 0.00 0.00 177.39 176.55 1raa s ASN 305 N -2.73 3.26 0.15 -1.43 2.47 -0.27 -4.99 114.94 111.40 1raa s ASN 305 Ca 0.16 -0.78 -0.28 0.00 0.42 0.00 0.00 52.86 52.38 1raa s ASN 305 Cb 0.18 -1.30 -0.02 0.00 -1.45 0.00 0.00 41.25 38.65 1raa s ASN 305 CO 0.65 -0.10 1.57 0.03 -3.72 0.00 0.00 177.10 175.53 1raa h ARG 306 N 7.97 -0.32 -4.70 0.43 2.47 -1.87 -3.41 114.38 114.94 1raa h ARG 306 Ca -0.33 0.02 -0.55 0.00 -1.26 0.00 0.00 59.98 57.86 1raa h ARG 306 Cb 1.11 0.07 -0.33 0.00 -1.65 0.00 0.00 29.97 29.17 1raa h ARG 306 CO 0.52 -0.21 -0.83 -0.51 0.56 0.00 0.00 179.97 179.50 1raa s ASP 307 N -5.07 2.05 -0.22 7.04 1.01 -1.26 -0.60 116.67 119.63 1raa s ASP 307 Ca -0.15 -0.35 -0.04 0.00 0.71 0.00 0.00 52.55 52.72 1raa s ASP 307 Cb 0.11 -0.95 -0.01 0.00 1.01 0.00 0.00 42.92 43.08 1raa s ASP 307 CO 0.64 0.06 -0.04 -0.22 0.21 0.00 0.00 175.17 175.82 1raa s LEU 308 N 0.62 2.95 -0.28 1.23 2.96 -1.26 -5.04 118.68 119.86 1raa s LEU 308 Ca -0.15 -0.36 -0.17 0.00 -0.22 0.00 0.00 54.13 53.23 1raa s LEU 308 Cb -0.16 -1.75 -0.03 0.00 0.50 0.00 0.00 46.19 44.75 1raa s LEU 308 CO 0.04 -0.00 0.48 -0.69 -1.32 0.00 0.00 176.35 174.86 1raa s VAL 309 N 1.39 5.09 -1.43 1.68 1.01 -1.26 -5.13 120.40 121.75 1raa s VAL 309 Ca 0.05 0.69 0.11 0.00 0.00 0.00 0.00 61.98 62.83 1raa s VAL 309 Cb -0.14 -3.82 0.09 0.00 0.00 0.00 0.00 36.38 32.51 1raa s VAL 309 CO -0.02 0.05 0.86 0.00 0.00 0.00 0.00 175.10 175.99