#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1paf s ASN 2 N 0.00 4.80 -0.03 4.52 0.01 -1.26 -4.96 114.94 118.01 1paf s ASN 2 Ca 0.00 -0.29 0.06 0.00 -0.71 0.00 0.00 52.86 51.92 1paf s ASN 2 Cb 0.00 -1.06 -0.01 0.00 0.41 0.00 0.00 41.25 40.59 1paf s ASN 2 CO 0.00 0.15 -0.21 0.28 -1.51 0.00 0.00 177.10 175.81 1paf s THR 3 N -1.39 1.70 -0.23 1.60 -1.32 -1.26 -0.75 115.64 114.01 1paf s THR 3 Ca 0.25 -0.90 -0.09 0.00 -1.21 0.00 0.00 61.69 59.74 1paf s THR 3 Cb -0.11 -1.43 -0.04 0.00 -1.51 0.00 0.00 72.50 69.41 1paf s THR 3 CO 0.17 0.48 0.11 -0.63 -2.21 0.00 0.00 174.62 172.54 1paf s ILE 4 N -0.31 4.92 -0.18 5.08 -1.09 0.84 -4.96 121.20 125.50 1paf s ILE 4 Ca 0.03 0.03 -0.13 0.00 -2.23 0.00 0.00 60.65 58.35 1paf s ILE 4 Cb -0.10 -3.28 -0.05 0.00 -1.58 0.00 0.00 42.46 37.46 1paf s ILE 4 CO 0.01 0.38 0.25 -0.63 -1.23 0.00 0.00 174.94 173.71 1paf s ILE 5 N 1.00 5.33 -0.03 2.92 1.01 -1.26 -0.65 121.20 129.52 1paf s ILE 5 Ca 0.06 0.44 0.01 0.00 0.00 0.00 0.00 60.65 61.16 1paf s ILE 5 Cb -0.14 -3.59 0.02 0.00 0.01 0.00 0.00 42.46 38.76 1paf s ILE 5 CO 0.03 0.39 -0.03 -0.47 0.00 0.00 0.00 174.94 174.87 1paf s TYR 6 N 0.53 0.53 -0.41 3.97 5.04 0.00 -4.98 117.35 122.03 1paf s TYR 6 Ca 0.14 -0.10 -0.24 0.00 -2.44 0.00 0.00 57.07 54.43 1paf s TYR 6 Cb -0.13 -0.50 0.02 0.00 0.35 0.00 0.00 41.96 41.70 1paf s TYR 6 CO 0.03 -0.14 0.81 1.21 -1.34 0.00 0.00 175.55 176.12 1paf s ASN 7 N 0.78 6.50 -0.01 4.32 2.47 -1.26 -1.23 114.94 126.51 1paf s ASN 7 Ca -0.09 0.17 -0.22 0.00 0.42 0.00 0.00 52.86 53.14 1paf s ASN 7 Cb -0.12 -2.40 -0.21 0.00 -1.45 0.00 0.00 41.25 37.07 1paf s ASN 7 CO -0.01 -0.85 1.15 0.58 -3.72 0.00 0.00 177.10 174.25 1paf h VAL 8 N 5.89 1.45 -0.23 -5.21 2.07 -0.42 -3.34 116.25 116.47 1paf h VAL 8 Ca -0.25 -1.79 0.07 0.00 0.82 0.00 0.00 66.70 65.56 1paf h VAL 8 Cb 1.09 2.44 -0.01 0.00 -1.52 0.00 0.00 31.29 33.29 1paf h VAL 8 CO 0.95 0.51 0.28 1.23 0.02 0.00 0.00 177.57 180.56 1paf h GLY 9 N -0.24 0.00 -6.14 2.17 0.00 -1.69 -3.35 103.07 93.82 1paf h GLY 9 Ca -0.03 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.23 1paf h GLY 9 CO 0.06 0.00 -0.39 -0.45 0.00 0.00 0.00 176.54 175.76 1paf s SER 10 N -5.50 -0.27 0.21 0.19 0.15 -1.25 -4.90 113.70 102.32 1paf s SER 10 Ca -0.04 0.63 -0.14 0.00 0.70 0.00 0.00 55.95 57.10 1paf s SER 10 Cb 0.15 1.44 0.01 0.00 -1.71 0.00 0.00 66.02 65.91 1paf s SER 10 CO 0.52 -0.27 0.46 0.42 1.20 0.00 0.00 173.24 175.57 1paf s THR 11 N 2.64 0.03 0.29 6.45 -4.23 -1.26 -4.76 115.64 114.80 1paf s THR 11 Ca 0.09 -1.13 0.02 0.00 -1.18 0.00 0.00 61.69 59.49 1paf s THR 11 Cb -0.14 -1.86 -0.05 0.00 1.34 0.00 0.00 72.50 71.79 1paf s THR 11 CO -0.16 -0.12 0.11 0.42 -0.54 0.00 0.00 174.62 174.33 1paf s THR 12 N -3.94 0.57 0.28 3.99 -4.23 -1.26 -5.05 115.64 106.00 1paf s THR 12 Ca 0.15 -2.00 -0.01 0.00 -1.18 0.00 0.00 61.69 58.65 1paf s THR 12 Cb -0.00 -2.60 0.16 0.00 1.34 0.00 0.00 72.50 71.39 1paf s THR 12 CO 0.02 0.00 1.83 0.16 -0.54 0.00 0.00 174.62 176.09 1paf h ILE 13 N 2.27 1.22 -0.30 2.99 3.07 -2.00 -2.40 117.51 122.36 1paf h ILE 13 Ca -0.37 -0.80 -0.07 0.00 1.55 0.00 0.00 64.86 65.18 1paf h ILE 13 Cb 1.25 0.65 -0.02 0.00 -0.27 0.00 0.00 36.82 38.43 1paf h ILE 13 CO 0.59 0.30 -0.10 0.77 -1.05 0.00 0.00 178.15 178.67 1paf h SER 14 N 0.81 0.48 -0.39 2.16 4.64 -1.98 -0.66 113.55 118.61 1paf h SER 14 Ca 0.18 -0.12 -0.05 0.00 -0.47 0.00 0.00 61.79 61.33 1paf h SER 14 Cb 0.28 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 62.22 1paf h SER 14 CO -0.00 0.62 0.04 0.50 -0.87 0.00 0.00 176.83 177.12 1paf h LYS 15 N 0.47 0.66 -0.14 4.77 1.63 -1.91 0.19 116.57 122.25 1paf h LYS 15 Ca 0.09 -0.19 -0.02 0.00 -0.85 0.00 0.00 60.65 59.68 1paf h LYS 15 Cb 0.46 -0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 32.01 1paf h LYS 15 CO 0.02 0.74 0.02 -0.92 -3.45 0.00 0.00 179.45 175.86 1paf h TYR 16 N 0.50 0.25 -0.86 1.91 3.20 -0.73 -2.69 116.97 118.56 1paf h TYR 16 Ca 0.12 -0.04 0.04 0.00 3.14 0.00 0.00 58.73 61.99 1paf h TYR 16 Cb 0.41 -0.07 -0.05 0.00 1.54 0.00 0.00 36.73 38.56 1paf h TYR 16 CO 0.03 0.43 0.56 0.00 -1.64 0.00 0.00 178.16 177.54 1paf h ALA 17 N 0.79 1.48 -0.36 1.82 0.00 -1.00 -2.75 119.26 119.23 1paf h ALA 17 Ca 0.04 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.80 1paf h ALA 17 Cb 0.32 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1paf h ALA 17 CO 0.00 0.44 -0.24 1.15 0.00 0.00 0.00 179.25 180.60 1paf h THR 18 N 1.06 1.27 -0.20 0.00 2.02 -0.41 -2.87 112.91 113.79 1paf h THR 18 Ca 0.34 -1.34 0.02 0.00 0.77 0.00 0.00 66.41 66.21 1paf h THR 18 Cb 0.04 1.25 -0.02 0.00 -1.74 0.00 0.00 68.15 67.68 1paf h THR 18 CO -0.10 0.44 0.05 0.15 0.37 0.00 0.00 175.52 176.42 1paf h PHE 19 N 0.63 0.08 -0.82 3.16 3.57 -1.19 -0.65 116.94 121.73 1paf h PHE 19 Ca 0.09 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.60 1paf h PHE 19 Cb 0.74 -0.01 -0.04 0.00 2.79 0.00 0.00 35.95 39.43 1paf h PHE 19 CO 0.04 0.03 0.52 -0.07 -2.23 0.00 0.00 178.31 176.60 1paf h LEU 20 N 0.13 0.96 -0.07 0.59 3.38 -1.59 0.19 115.31 118.90 1paf h LEU 20 Ca 0.09 -0.04 -0.10 0.00 0.09 0.00 0.00 57.88 57.92 1paf h LEU 20 Cb 0.08 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 1paf h LEU 20 CO -0.11 0.72 -0.46 -1.13 0.09 0.00 0.00 178.44 177.54 1paf h ASN 21 N 1.12 0.00 -0.10 -0.43 -1.24 -1.08 -0.67 115.58 113.17 1paf h ASN 21 Ca 0.30 0.00 -0.21 0.00 0.71 0.00 0.00 56.30 57.10 1paf h ASN 21 Cb -0.09 0.00 0.01 0.00 0.73 0.00 0.00 38.32 38.96 1paf h ASN 21 CO -0.06 0.46 -0.72 0.44 -1.29 0.00 0.00 177.43 176.27 1paf h ASP 22 N 0.00 0.87 0.15 1.15 3.32 0.63 -1.47 116.42 121.07 1paf h ASP 22 Ca -0.00 -0.54 0.00 0.00 0.02 0.00 0.00 57.03 56.50 1paf h ASP 22 Cb 1.33 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 40.62 1paf h ASP 22 CO 0.06 1.33 -0.13 0.25 -1.72 0.00 0.00 179.24 179.04 1paf h LEU 23 N 0.52 -0.33 -0.59 1.55 5.85 -0.57 -1.69 115.31 120.06 1paf h LEU 23 Ca -0.03 0.03 0.06 0.00 0.84 0.00 0.00 57.88 58.77 1paf h LEU 23 Cb 1.33 0.11 -0.05 0.00 0.37 0.00 0.00 40.66 42.42 1paf h LEU 23 CO 0.15 -0.20 0.29 0.03 -0.34 0.00 0.00 178.44 178.37 1paf h ARG 24 N -0.29 0.54 -0.33 1.25 3.08 -1.13 -0.12 114.38 117.38 1paf h ARG 24 Ca -0.00 -0.03 -0.07 0.00 0.07 0.00 0.00 59.98 59.95 1paf h ARG 24 Cb 0.27 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.18 1paf h ARG 24 CO -0.02 0.35 -0.09 -0.91 -1.07 0.00 0.00 179.97 178.24 1paf h ASN 25 N 0.55 0.53 0.25 7.04 2.35 -1.05 -1.40 115.58 123.86 1paf h ASN 25 Ca 0.27 -0.13 -0.33 0.00 -0.55 0.00 0.00 56.30 55.55 1paf h ASN 25 Cb 0.20 -0.14 0.04 0.00 0.05 0.00 0.00 38.32 38.47 1paf h ASN 25 CO -0.19 0.66 -1.44 -0.08 -1.65 0.00 0.00 177.43 174.73 1paf h GLU 26 N 0.51 0.55 0.04 0.81 4.57 -1.12 -3.36 114.58 116.57 1paf h GLU 26 Ca 0.10 -0.91 -0.27 0.00 -1.18 0.00 0.00 59.36 57.10 1paf h GLU 26 Cb 0.47 0.33 0.02 0.00 -0.16 0.00 0.00 28.75 29.41 1paf h GLU 26 CO 0.03 1.43 -1.08 0.00 -1.18 0.00 0.00 179.01 178.21 1paf h ALA 27 N 0.19 0.15 -2.21 2.92 0.00 -0.81 -3.48 119.26 116.01 1paf h ALA 27 Ca -0.24 -0.73 -0.47 0.00 0.00 0.00 0.00 54.91 53.47 1paf h ALA 27 Cb 2.13 0.05 0.20 0.00 0.00 0.00 0.00 17.79 20.17 1paf h ALA 27 CO 0.27 0.73 0.11 -1.59 0.00 0.00 0.00 179.25 178.77 1paf s LYS 28 N -3.20 -0.02 0.15 0.00 -2.85 -0.54 -4.43 119.74 108.85 1paf s LYS 28 Ca -0.09 1.04 -0.22 0.00 -1.00 0.00 0.00 55.97 55.71 1paf s LYS 28 Cb 0.07 -1.64 -0.08 0.00 -2.06 0.00 0.00 37.83 34.12 1paf s LYS 28 CO 0.91 -3.18 0.70 0.34 0.10 0.00 0.00 175.35 174.22 1paf s ASP 29 N -2.71 7.20 0.59 0.03 -1.08 0.08 -4.77 116.67 116.01 1paf s ASP 29 Ca 0.67 1.47 0.29 0.00 -0.52 0.00 0.00 52.55 54.45 1paf s ASP 29 Cb -0.23 -2.43 1.51 0.00 -1.46 0.00 0.00 42.92 40.31 1paf s ASP 29 CO 0.61 0.18 1.93 -0.65 0.52 0.00 0.00 175.17 177.77 1paf h PRO 30 N 4.14 0.00 0.00 4.34 0.11 -1.93 -3.35 132.00 135.31 1paf h PRO 30 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1paf h PRO 30 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1paf h PRO 30 CO 0.65 0.00 -0.75 -1.13 -0.21 0.00 0.00 178.00 176.56 1paf n SER 31 N -3.71 3.75 -4.76 -2.05 3.41 -1.26 -5.06 113.62 103.95 1paf n SER 31 Ca 0.07 0.00 -0.40 0.00 -0.26 0.00 0.00 58.87 58.28 1paf n SER 31 Cb 0.60 0.58 -0.05 0.00 -0.26 0.00 0.00 64.21 65.07 1paf n SER 31 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1paf s LEU 32 N -2.72 4.55 -0.24 1.04 2.01 -1.26 -5.00 118.68 117.07 1paf s LEU 32 Ca 0.00 2.10 -0.27 0.00 0.01 0.00 0.00 54.13 55.97 1paf s LEU 32 Cb 0.00 -3.68 0.12 0.00 0.01 0.00 0.00 46.19 42.63 1paf s LEU 32 CO 0.00 -0.04 0.97 -1.59 1.01 0.00 0.00 176.35 176.71 1paf s LYS 33 N -1.45 0.59 -0.16 1.70 -2.85 -1.26 -2.90 119.74 113.41 1paf s LYS 33 Ca 0.44 0.50 0.01 0.00 -1.00 0.00 0.00 55.97 55.92 1paf s LYS 33 Cb -0.28 0.29 0.01 0.00 -2.06 0.00 0.00 37.83 35.78 1paf s LYS 33 CO 0.35 -0.11 -0.17 0.00 0.10 0.00 0.00 175.35 175.52 1paf n TYR 35 N 4.27 -2.38 -0.78 0.00 4.01 0.11 -0.11 117.16 122.27 1paf n TYR 35 Ca -0.20 0.86 0.00 0.00 -0.16 0.00 0.00 57.90 58.40 1paf n TYR 35 Cb 0.51 -4.21 0.00 0.00 -0.31 0.00 0.00 39.34 35.33 1paf n TYR 35 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1paf n GLY 36 N -1.71 1.41 3.64 2.72 0.00 0.10 -4.89 105.19 106.46 1paf n GLY 36 Ca 0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.65 1paf n GLY 36 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1paf s ILE 37 N -3.76 5.14 0.44 -0.61 1.01 0.85 -5.06 121.20 119.20 1paf s ILE 37 Ca 0.00 0.78 -0.24 0.00 0.00 0.00 0.00 60.65 61.19 1paf s ILE 37 Cb 0.00 -3.77 -0.10 0.00 0.01 0.00 0.00 42.46 38.60 1paf s ILE 37 CO 0.00 0.17 0.98 -2.65 0.00 0.00 0.00 174.94 173.44 1paf n PRO 38 N 5.03 1.28 -4.54 2.79 -0.02 -1.26 -0.96 135.00 137.32 1paf n PRO 38 Ca -0.06 0.46 -0.27 0.00 -2.02 0.00 0.00 63.50 61.61 1paf n PRO 38 Cb 0.50 -2.03 -0.14 0.00 -0.02 0.00 0.00 33.50 31.82 1paf n PRO 38 CO 0.00 0.00 0.00 1.41 1.98 0.00 0.00 175.50 178.89 1paf s MET 39 N -2.06 1.39 0.65 -0.52 -2.45 -1.14 -0.56 119.30 114.61 1paf s MET 39 Ca 0.64 -1.12 -0.11 0.00 -1.25 0.00 0.00 55.69 53.86 1paf s MET 39 Cb -0.54 -1.63 -0.02 0.00 1.25 0.00 0.00 34.83 33.88 1paf s MET 39 CO 0.56 0.40 1.05 -0.51 1.05 0.00 0.00 175.02 177.57 1paf s LEU 40 N -1.57 3.13 0.74 4.11 1.43 0.03 -0.74 118.68 125.81 1paf s LEU 40 Ca 0.09 1.40 -0.12 0.00 -1.03 0.00 0.00 54.13 54.48 1paf s LEU 40 Cb -0.10 -4.36 0.04 0.00 0.03 0.00 0.00 46.19 41.80 1paf s LEU 40 CO 0.03 -1.09 1.11 -2.16 0.23 0.00 0.00 176.35 174.48 1paf s PRO 41 N -5.19 2.56 0.56 1.29 0.04 -1.26 -4.44 135.00 128.56 1paf s PRO 41 Ca 0.56 0.43 -0.20 0.00 0.04 0.00 0.00 61.00 61.84 1paf s PRO 41 Cb -0.12 -1.99 -0.05 0.00 0.04 0.00 0.00 34.50 32.38 1paf s PRO 41 CO 0.54 -1.24 1.18 1.21 0.04 0.00 0.00 177.00 178.73 1paf s ASN 42 N -4.32 5.50 0.53 6.66 3.84 -1.26 -4.37 114.94 121.51 1paf s ASN 42 Ca 0.59 2.31 0.44 0.00 0.21 0.00 0.00 52.86 56.41 1paf s ASN 42 Cb -0.12 -2.59 1.65 0.00 -0.55 0.00 0.00 41.25 39.64 1paf s ASN 42 CO 0.52 -1.38 1.61 0.71 -2.79 0.00 0.00 177.10 175.77 1paf h THR 43 N 1.12 0.07 0.00 -5.21 1.35 -1.97 -1.32 112.91 106.95 1paf h THR 43 Ca -0.50 -0.01 0.00 0.00 -0.55 0.00 0.00 66.41 65.35 1paf h THR 43 Cb 1.28 0.05 0.00 0.00 -1.73 0.00 0.00 68.15 67.75 1paf h THR 43 CO 0.56 0.00 0.00 0.78 -0.25 0.00 0.00 175.52 176.62 1paf h ASN 44 N 0.02 0.00 -3.61 5.36 4.21 -1.98 -3.46 115.58 116.12 1paf h ASN 44 Ca 0.88 0.00 -0.51 0.00 1.21 0.00 0.00 56.30 57.87 1paf h ASN 44 Cb 3.32 0.00 0.01 0.00 -1.12 0.00 0.00 38.32 40.53 1paf h ASN 44 CO -0.13 0.00 0.48 -0.89 -1.29 0.00 0.00 177.43 175.61 1paf s THR 45 N -3.18 3.76 -0.04 2.81 2.01 -0.50 -5.02 115.64 115.47 1paf s THR 45 Ca 0.08 1.56 0.01 0.00 0.31 0.00 0.00 61.69 63.66 1paf s THR 45 Cb 0.09 -4.00 -0.03 0.00 0.01 0.00 0.00 72.50 68.57 1paf s THR 45 CO 0.61 0.29 -0.05 0.20 -0.69 0.00 0.00 174.62 174.99 1paf s ASN 46 N -0.25 4.82 0.81 3.53 0.01 -1.26 -3.84 114.94 118.75 1paf s ASN 46 Ca 0.49 -0.02 -0.11 0.00 -0.71 0.00 0.00 52.86 52.50 1paf s ASN 46 Cb -0.30 -1.22 0.08 0.00 0.41 0.00 0.00 41.25 40.21 1paf s ASN 46 CO 0.36 0.33 1.09 -2.16 -1.51 0.00 0.00 177.10 175.21 1paf s PRO 47 N -1.09 1.96 0.01 -0.60 0.04 -1.26 -5.10 135.00 128.95 1paf s PRO 47 Ca 0.15 0.91 0.22 0.00 0.04 0.00 0.00 61.00 62.31 1paf s PRO 47 Cb -0.11 -1.88 -0.24 0.00 0.04 0.00 0.00 34.50 32.31 1paf s PRO 47 CO 0.04 -1.78 0.67 1.63 0.04 0.00 0.00 177.00 177.61 1paf n LYS 48 N -3.58 0.51 -4.15 4.56 5.02 -1.25 -4.89 118.16 114.38 1paf n LYS 48 Ca 0.08 -0.11 -0.16 0.00 -2.02 0.00 0.00 58.31 56.10 1paf n LYS 48 Cb 0.55 -1.56 -0.11 0.00 -0.02 0.00 0.00 35.03 33.88 1paf n LYS 48 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 1paf s TYR 49 N -3.38 1.05 0.08 2.13 2.02 -1.26 -0.89 117.35 117.09 1paf s TYR 49 Ca -0.03 -0.56 0.09 0.00 -0.37 0.00 0.00 57.07 56.20 1paf s TYR 49 Cb 0.14 -0.58 -0.03 0.00 -0.40 0.00 0.00 41.96 41.08 1paf s TYR 49 CO 0.88 0.01 -0.25 0.08 -1.57 0.00 0.00 175.55 174.70 1paf s VAL 50 N -1.83 2.04 -0.05 0.71 1.01 -0.33 -4.27 120.40 117.68 1paf s VAL 50 Ca -0.00 -1.51 0.04 0.00 0.00 0.00 0.00 61.98 60.51 1paf s VAL 50 Cb -0.07 -1.78 -0.02 0.00 0.00 0.00 0.00 36.38 34.50 1paf s VAL 50 CO 0.01 0.18 -0.16 -0.76 0.00 0.00 0.00 175.10 174.38 1paf s LEU 51 N -1.61 2.66 -0.26 3.92 1.02 0.07 -0.99 118.68 123.49 1paf s LEU 51 Ca 0.11 -0.23 0.02 0.00 0.02 0.00 0.00 54.13 54.05 1paf s LEU 51 Cb -0.10 -1.53 0.07 0.00 0.02 0.00 0.00 46.19 44.65 1paf s LEU 51 CO 0.04 0.34 -0.04 -0.69 0.02 0.00 0.00 176.35 176.01 1paf s VAL 52 N -0.69 1.75 -0.26 -1.59 1.01 0.10 -0.11 120.40 120.61 1paf s VAL 52 Ca 0.11 -1.51 -0.13 0.00 0.00 0.00 0.00 61.98 60.45 1paf s VAL 52 Cb -0.11 -2.04 -0.04 0.00 0.00 0.00 0.00 36.38 34.19 1paf s VAL 52 CO 0.00 -0.20 0.28 -0.70 0.00 0.00 0.00 175.10 174.49 1paf s GLU 53 N 1.26 4.02 -0.27 2.72 2.12 0.17 -0.59 118.70 128.14 1paf s GLU 53 Ca -0.03 -0.11 -0.07 0.00 0.36 0.00 0.00 54.97 55.12 1paf s GLU 53 Cb -0.19 -3.63 -0.01 0.00 0.26 0.00 0.00 34.13 30.56 1paf s GLU 53 CO -0.08 -0.17 0.07 -0.51 -0.54 0.00 0.00 175.26 174.04 1paf s LEU 54 N 1.74 3.60 -0.45 2.70 1.43 0.29 -0.82 118.68 127.17 1paf s LEU 54 Ca 0.12 -0.42 -0.16 0.00 -1.03 0.00 0.00 54.13 52.63 1paf s LEU 54 Cb -0.15 -1.90 0.05 0.00 0.03 0.00 0.00 46.19 44.21 1paf s LEU 54 CO 0.09 -0.10 0.43 -1.10 0.23 0.00 0.00 176.35 175.90 1paf s GLN 55 N 1.57 3.03 0.00 1.70 -0.21 -0.37 -1.75 119.66 123.63 1paf s GLN 55 Ca 0.05 -1.05 0.00 0.00 0.02 0.00 0.00 55.36 54.38 1paf s GLN 55 Cb -0.16 -4.05 0.00 0.00 1.00 0.00 0.00 33.01 29.80 1paf s GLN 55 CO 0.03 -0.96 0.00 0.41 -2.12 0.00 0.00 175.29 172.65 1paf n GLY 56 N 5.17 -0.62 3.91 3.09 0.00 0.71 0.37 105.19 117.83 1paf n GLY 56 Ca -0.10 -1.71 -0.29 0.00 0.00 0.00 0.00 46.02 43.92 1paf n GLY 56 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1paf s SER 57 N -1.00 6.44 -0.98 1.61 0.01 -1.26 -4.20 113.70 114.32 1paf s SER 57 Ca 0.00 0.54 -0.04 0.00 1.31 0.00 0.00 55.95 57.76 1paf s SER 57 Cb 0.00 -2.07 0.00 0.00 0.21 0.00 0.00 66.02 64.17 1paf s SER 57 CO 0.00 -0.04 0.52 0.59 0.41 0.00 0.00 173.24 174.72 1paf n ASN 58 N -0.45 -4.64 -3.67 2.44 5.03 -1.26 -3.32 115.26 109.39 1paf n ASN 58 Ca -0.03 -0.24 -0.25 0.00 0.87 0.00 0.00 54.58 54.93 1paf n ASN 58 Cb 0.53 -3.42 0.06 0.00 -1.02 0.00 0.00 39.78 35.93 1paf n ASN 58 CO 0.00 0.00 0.00 1.17 -1.83 0.00 0.00 177.26 176.60 1paf n LYS 59 N -3.06 -7.06 -3.85 3.52 4.81 -1.26 -5.01 118.16 106.25 1paf n LYS 59 Ca -0.05 0.76 -0.36 0.00 -0.87 0.00 0.00 58.31 57.79 1paf n LYS 59 Cb 0.57 -5.75 -0.07 0.00 0.02 0.00 0.00 35.03 29.80 1paf n LYS 59 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 1paf s LYS 60 N -6.29 3.81 0.02 1.64 -0.14 -1.21 -5.00 119.74 112.56 1paf s LYS 60 Ca 0.53 -0.21 -0.02 0.00 -1.36 0.00 0.00 55.97 54.91 1paf s LYS 60 Cb -0.24 -3.28 -0.02 0.00 -1.68 0.00 0.00 37.83 32.61 1paf s LYS 60 CO 0.76 0.51 0.00 0.99 -0.76 0.00 0.00 175.35 176.86 1paf s THR 61 N -0.26 0.12 -0.01 2.17 2.01 -1.26 -0.21 115.64 118.20 1paf s THR 61 Ca 0.11 -0.96 0.00 0.00 0.31 0.00 0.00 61.69 61.15 1paf s THR 61 Cb -0.12 -0.43 0.02 0.00 0.01 0.00 0.00 72.50 71.99 1paf s THR 61 CO 0.01 -0.53 0.02 -0.63 -0.69 0.00 0.00 174.62 172.80 1paf s ILE 62 N -1.72 -0.02 -0.21 1.82 1.01 -0.72 -4.44 121.20 116.92 1paf s ILE 62 Ca -0.13 0.15 -0.04 0.00 0.00 0.00 0.00 60.65 60.62 1paf s ILE 62 Cb -0.08 -0.08 -0.02 0.00 0.01 0.00 0.00 42.46 42.30 1paf s ILE 62 CO -0.02 0.07 -0.02 -0.89 0.00 0.00 0.00 174.94 174.08 1paf s THR 63 N 0.76 3.64 -0.29 2.92 2.01 0.36 -0.55 115.64 124.50 1paf s THR 63 Ca -0.06 -0.41 -0.22 0.00 0.31 0.00 0.00 61.69 61.30 1paf s THR 63 Cb -0.09 -2.65 -0.01 0.00 0.01 0.00 0.00 72.50 69.76 1paf s THR 63 CO -0.02 0.43 0.71 -0.76 -0.69 0.00 0.00 174.62 174.28 1paf s LEU 64 N 1.23 4.10 -0.15 4.42 1.02 0.25 0.11 118.68 129.67 1paf s LEU 64 Ca 0.03 0.62 -0.13 0.00 0.02 0.00 0.00 54.13 54.68 1paf s LEU 64 Cb -0.14 -2.95 -0.05 0.00 0.02 0.00 0.00 46.19 43.06 1paf s LEU 64 CO -0.00 -0.51 0.27 -0.32 0.02 0.00 0.00 176.35 175.80 1paf s MET 65 N 2.74 4.13 0.09 1.70 -2.45 0.20 -0.72 119.30 124.98 1paf s MET 65 Ca 0.29 0.06 0.07 0.00 -1.25 0.00 0.00 55.69 54.86 1paf s MET 65 Cb -0.15 -3.38 -0.03 0.00 1.25 0.00 0.00 34.83 32.52 1paf s MET 65 CO 0.11 0.35 -0.18 -0.51 1.05 0.00 0.00 175.02 175.84 1paf s LEU 66 N 0.14 2.28 -0.01 4.11 1.02 -0.16 -0.93 118.68 125.14 1paf s LEU 66 Ca 0.16 -0.65 -0.19 0.00 0.02 0.00 0.00 54.13 53.47 1paf s LEU 66 Cb -0.13 -0.73 -0.05 0.00 0.02 0.00 0.00 46.19 45.30 1paf s LEU 66 CO 0.04 0.01 0.54 -0.60 0.02 0.00 0.00 176.35 176.35 1paf s ARG 67 N -1.81 4.24 0.16 1.70 3.52 -0.90 -1.19 118.95 124.68 1paf s ARG 67 Ca 0.03 0.63 -0.11 0.00 -0.13 0.00 0.00 55.73 56.15 1paf s ARG 67 Cb -0.10 -3.33 0.04 0.00 -1.56 0.00 0.00 34.95 30.00 1paf s ARG 67 CO 0.03 0.42 1.62 0.00 -0.81 0.00 0.00 175.30 176.56 1paf h ARG 68 N 5.54 0.96 -0.98 5.12 3.08 -1.35 -0.41 114.38 126.33 1paf h ARG 68 Ca -0.46 -0.30 0.23 0.00 0.07 0.00 0.00 59.98 59.52 1paf h ARG 68 Cb 1.20 -0.09 -0.12 0.00 0.08 0.00 0.00 29.97 31.04 1paf h ARG 68 CO 0.69 0.97 0.56 -0.97 -1.07 0.00 0.00 179.97 180.14 1paf h ASN 69 N 0.84 0.63 0.00 7.04 -0.73 -1.79 -3.14 115.58 118.43 1paf h ASN 69 Ca 0.16 0.13 0.00 0.00 1.87 0.00 0.00 56.30 58.46 1paf h ASN 69 Cb 0.53 0.04 0.00 0.00 0.27 0.00 0.00 38.32 39.16 1paf h ASN 69 CO 0.03 0.11 -0.30 -0.46 -0.37 0.00 0.00 177.43 176.44 1paf n ASN 70 N -4.90 0.18 -1.30 1.15 6.94 -1.23 -4.15 115.26 111.95 1paf n ASN 70 Ca 0.25 -1.73 0.00 0.00 -0.02 0.00 0.00 54.58 53.09 1paf n ASN 70 Cb 0.70 -0.14 0.00 0.00 -2.36 0.00 0.00 39.78 37.98 1paf n ASN 70 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 1paf n LEU 71 N -0.09 0.00 -4.81 -4.53 4.77 -0.17 -4.97 117.00 107.21 1paf n LEU 71 Ca 0.01 0.10 -0.32 0.00 -0.03 0.00 0.00 56.01 55.77 1paf n LEU 71 Cb 0.62 -0.60 0.02 0.00 -2.33 0.00 0.00 43.42 41.13 1paf n LEU 71 CO 0.00 0.00 0.71 -0.31 -1.33 0.00 0.00 177.39 176.47 1paf s TYR 72 N -1.20 3.01 -0.13 -1.77 1.51 -1.26 -4.69 117.35 112.83 1paf s TYR 72 Ca 0.00 1.49 -0.22 0.00 -1.01 0.00 0.00 57.07 57.34 1paf s TYR 72 Cb 0.00 -2.98 -0.03 0.00 -0.11 0.00 0.00 41.96 38.84 1paf s TYR 72 CO 0.00 -1.13 0.65 0.08 -1.11 0.00 0.00 175.55 174.03 1paf s VAL 73 N -2.58 5.05 -0.14 0.71 1.01 -1.26 -2.12 120.40 121.07 1paf s VAL 73 Ca 0.62 1.29 0.18 0.00 0.00 0.00 0.00 61.98 64.07 1paf s VAL 73 Cb -0.16 -3.98 -0.12 0.00 0.00 0.00 0.00 36.38 32.13 1paf s VAL 73 CO 0.41 0.20 0.84 0.23 0.00 0.00 0.00 175.10 176.78 1paf n MET 74 N 4.33 0.62 -3.82 2.72 2.81 -0.10 -4.91 117.12 118.76 1paf n MET 74 Ca -0.02 0.21 0.00 0.00 -1.81 0.00 0.00 57.70 56.08 1paf n MET 74 Cb 0.51 -1.81 0.00 0.00 -0.71 0.00 0.00 33.22 31.21 1paf n MET 74 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1paf n GLY 75 N 1.37 -1.81 3.19 3.03 0.00 -1.25 -0.64 105.19 109.09 1paf n GLY 75 Ca -0.09 -1.20 -0.12 0.00 0.00 0.00 0.00 46.02 44.62 1paf n GLY 75 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1paf s TYR 76 N -2.65 1.11 0.08 1.61 1.13 -0.41 -0.63 117.35 117.60 1paf s TYR 76 Ca 0.00 -1.35 0.02 0.00 -1.41 0.00 0.00 57.07 54.33 1paf s TYR 76 Cb 0.00 -0.55 -0.04 0.00 -1.10 0.00 0.00 41.96 40.28 1paf s TYR 76 CO 0.00 -0.62 -0.08 -1.54 -2.51 0.00 0.00 175.55 170.80 1paf s SER 77 N -3.14 1.17 0.02 -0.18 1.04 0.12 -0.05 113.70 112.67 1paf s SER 77 Ca 0.36 -0.83 0.00 0.00 0.48 0.00 0.00 55.95 55.96 1paf s SER 77 Cb 0.07 0.05 -0.02 0.00 0.10 0.00 0.00 66.02 66.23 1paf s SER 77 CO 0.10 -0.34 -0.02 1.51 0.98 0.00 0.00 173.24 175.47 1paf s ASP 78 N -2.48 0.19 0.15 7.02 -4.77 -0.88 -0.48 116.67 115.41 1paf s ASP 78 Ca 0.04 -0.39 -0.34 0.00 -3.30 0.00 0.00 52.55 48.57 1paf s ASP 78 Cb -0.01 0.08 -0.15 0.00 -1.09 0.00 0.00 42.92 41.75 1paf s ASP 78 CO -0.02 -0.23 1.41 -2.65 0.70 0.00 0.00 175.17 174.38 1paf n PRO 79 N 1.94 1.66 -3.95 2.11 -0.02 -1.26 -1.39 135.00 134.09 1paf n PRO 79 Ca -0.21 0.60 -0.11 0.00 -2.02 0.00 0.00 63.50 61.76 1paf n PRO 79 Cb 0.56 -2.27 -0.13 0.00 -0.02 0.00 0.00 33.50 31.65 1paf n PRO 79 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 1paf s PHE 80 N 0.44 0.18 0.00 6.00 5.36 0.72 -3.66 117.98 127.02 1paf s PHE 80 Ca 0.78 -0.27 0.00 0.00 -0.96 0.00 0.00 56.93 56.47 1paf s PHE 80 Cb -0.79 -0.13 0.00 0.00 -0.34 0.00 0.00 43.02 41.77 1paf s PHE 80 CO 0.45 -0.09 0.00 0.39 -1.46 0.00 0.00 175.22 174.51 1paf n GLU 81 N 2.31 0.00 0.00 10.12 1.02 -1.26 -1.27 120.64 131.55 1paf n GLU 81 Ca -0.18 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.96 1paf n GLU 81 Cb 0.57 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.99 1paf n GLU 81 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 1paf n THR 82 N 0.00 0.00 -0.62 2.62 -1.04 -1.26 -4.63 114.28 109.35 1paf n THR 82 Ca 0.00 0.90 0.06 0.00 -2.04 0.00 0.00 64.05 62.97 1paf n THR 82 Cb 0.00 -1.80 0.11 0.00 -1.82 0.00 0.00 70.33 66.82 1paf n THR 82 CO 0.00 0.00 0.00 -0.46 -0.64 0.00 0.00 175.07 173.97 1paf n ASN 83 N -1.69 2.46 -4.85 8.00 6.94 -1.25 -5.01 115.26 119.87 1paf n ASN 83 Ca 0.00 -2.61 -0.34 0.00 -0.02 0.00 0.00 54.58 51.60 1paf n ASN 83 Cb 0.00 -0.28 -0.06 0.00 -2.36 0.00 0.00 39.78 37.08 1paf n ASN 83 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 1paf s LYS 84 N -2.07 3.99 -0.29 -3.83 1.02 -0.40 -4.82 119.74 113.35 1paf s LYS 84 Ca 0.21 0.54 -0.08 0.00 0.02 0.00 0.00 55.97 56.66 1paf s LYS 84 Cb 0.18 -2.79 -0.01 0.00 -0.52 0.00 0.00 37.83 34.69 1paf s LYS 84 CO 0.04 0.38 0.10 0.00 -0.92 0.00 0.00 175.35 174.95 1paf s ARG 86 N 1.58 3.69 0.09 0.00 3.52 -0.49 -1.01 118.95 126.33 1paf s ARG 86 Ca 0.05 -0.37 0.02 0.00 -0.13 0.00 0.00 55.73 55.29 1paf s ARG 86 Cb -0.16 -3.76 -0.04 0.00 -1.56 0.00 0.00 34.95 29.43 1paf s ARG 86 CO 0.04 -0.41 0.17 1.52 -0.81 0.00 0.00 175.30 175.81 1paf s TYR 87 N 1.92 3.37 -0.25 5.12 1.13 0.05 -2.07 117.35 126.61 1paf s TYR 87 Ca 0.10 0.14 -0.03 0.00 -1.41 0.00 0.00 57.07 55.87 1paf s TYR 87 Cb -0.16 -1.67 0.09 0.00 -1.10 0.00 0.00 41.96 39.11 1paf s TYR 87 CO 0.11 0.55 0.10 -1.01 -2.51 0.00 0.00 175.55 172.79 1paf s HIS 88 N -1.54 0.69 -0.08 -3.49 3.76 0.93 -1.19 115.29 114.37 1paf s HIS 88 Ca 0.33 -0.93 -0.13 0.00 -0.15 0.00 0.00 55.06 54.18 1paf s HIS 88 Cb -0.12 -1.04 -0.05 0.00 1.11 0.00 0.00 32.58 32.48 1paf s HIS 88 CO 0.26 -0.74 0.32 0.42 -0.85 0.00 0.00 174.74 174.15 1paf s ILE 89 N 1.97 5.22 0.22 0.60 1.01 -1.26 -1.29 121.20 127.67 1paf s ILE 89 Ca 0.06 0.63 -0.30 0.00 0.00 0.00 0.00 60.65 61.04 1paf s ILE 89 Cb -0.16 -3.63 -0.09 0.00 0.01 0.00 0.00 42.46 38.58 1paf s ILE 89 CO -0.24 0.51 1.39 -0.36 0.00 0.00 0.00 174.94 176.25 1paf s PHE 90 N -0.49 3.12 0.54 3.97 0.08 0.19 -1.67 117.98 123.73 1paf s PHE 90 Ca 0.20 1.07 0.15 0.00 0.12 0.00 0.00 56.93 58.47 1paf s PHE 90 Cb -0.14 -3.74 0.52 0.00 -0.57 0.00 0.00 43.02 39.09 1paf s PHE 90 CO 0.08 -2.39 1.04 -1.71 -0.10 0.00 0.00 175.22 172.14 1paf n ASN 91 N 2.62 0.00 -1.33 1.36 5.15 -0.96 -0.36 115.26 121.74 1paf n ASN 91 Ca 0.07 0.58 -0.00 0.00 -0.60 0.00 0.00 54.58 54.63 1paf n ASN 91 Cb 0.41 -0.15 0.26 0.00 -0.53 0.00 0.00 39.78 39.77 1paf n ASN 91 CO 0.00 0.00 0.00 -0.90 1.40 0.00 0.00 177.26 177.76 1paf n ASP 92 N -2.73 3.78 -4.66 1.20 5.68 -1.26 -4.86 116.55 113.71 1paf n ASP 92 Ca 0.13 -3.31 -0.35 0.00 -0.50 0.00 0.00 54.79 50.77 1paf n ASP 92 Cb 1.18 -0.64 -0.09 0.00 -1.14 0.00 0.00 41.12 40.42 1paf n ASP 92 CO 0.00 0.00 0.00 -0.63 -1.33 0.00 0.00 177.20 175.24 1paf s ILE 93 N -3.01 4.91 0.20 2.12 -1.09 0.51 -5.06 121.20 119.78 1paf s ILE 93 Ca 0.47 0.01 0.01 0.00 -2.23 0.00 0.00 60.65 58.91 1paf s ILE 93 Cb 0.39 -3.22 -0.05 0.00 -1.58 0.00 0.00 42.46 38.01 1paf s ILE 93 CO 0.08 0.46 0.06 -0.94 -1.23 0.00 0.00 174.94 173.37 1paf s SER 94 N 0.35 0.91 0.34 3.58 1.04 -1.26 -4.73 113.70 113.92 1paf s SER 94 Ca 0.04 -1.28 0.00 0.00 0.48 0.00 0.00 55.95 55.19 1paf s SER 94 Cb -0.12 0.20 0.00 0.00 0.10 0.00 0.00 66.02 66.20 1paf s SER 94 CO -0.00 -0.69 0.00 0.61 0.98 0.00 0.00 173.24 174.14 1paf n GLY 95 N -0.30 0.32 0.36 7.32 0.00 -1.26 -3.13 105.19 108.51 1paf n GLY 95 Ca -0.03 -0.90 0.09 0.00 0.00 0.00 0.00 46.02 45.18 1paf n GLY 95 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1paf h THR 96 N 0.00 0.89 -0.97 2.61 2.02 -2.01 -1.92 112.91 113.52 1paf h THR 96 Ca 0.00 -0.31 0.26 0.00 0.77 0.00 0.00 66.41 67.12 1paf h THR 96 Cb 0.00 -0.10 -0.06 0.00 -1.74 0.00 0.00 68.15 66.25 1paf h THR 96 CO 0.00 0.17 0.66 -0.33 0.37 0.00 0.00 175.52 176.39 1paf h GLU 97 N 0.91 0.22 -0.10 6.66 5.08 -1.95 0.45 114.58 125.85 1paf h GLU 97 Ca 0.49 -0.01 -0.12 0.00 -1.00 0.00 0.00 59.36 58.72 1paf h GLU 97 Cb 0.57 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.76 1paf h GLU 97 CO -0.26 0.14 -0.46 0.00 -1.00 0.00 0.00 179.01 177.44 1paf h ARG 98 N 0.22 0.25 0.10 2.33 3.08 -1.46 0.31 114.38 119.22 1paf h ARG 98 Ca 0.50 -0.13 -0.26 0.00 0.07 0.00 0.00 59.98 60.16 1paf h ARG 98 Cb 1.57 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.63 1paf h ARG 98 CO -0.13 0.67 -1.18 0.37 -1.07 0.00 0.00 179.97 178.62 1paf h GLN 99 N 0.21 0.28 -0.11 0.04 5.75 -0.41 -2.91 115.11 117.96 1paf h GLN 99 Ca 0.01 -0.44 -0.08 0.00 -0.15 0.00 0.00 58.65 58.00 1paf h GLN 99 Cb 0.89 0.16 -0.01 0.00 1.07 0.00 0.00 27.48 29.59 1paf h GLN 99 CO 0.07 1.19 -0.28 -0.44 -2.65 0.00 0.00 178.83 176.72 1paf h ASP 100 N 0.09 0.20 0.12 -0.69 3.32 0.33 -1.27 116.42 118.53 1paf h ASP 100 Ca -0.12 -0.06 -0.23 0.00 0.02 0.00 0.00 57.03 56.64 1paf h ASP 100 Cb 1.89 -0.06 0.01 0.00 0.22 0.00 0.00 39.33 41.40 1paf h ASP 100 CO 0.19 0.49 -0.91 0.58 -1.72 0.00 0.00 179.24 177.88 1paf h VAL 101 N 0.18 1.33 0.52 -1.35 2.07 -0.36 -2.26 116.25 116.39 1paf h VAL 101 Ca 0.03 -2.24 -0.02 0.00 0.82 0.00 0.00 66.70 65.28 1paf h VAL 101 Cb 0.60 2.27 0.00 0.00 -1.52 0.00 0.00 31.29 32.64 1paf h VAL 101 CO 0.04 0.68 -0.26 -0.08 0.02 0.00 0.00 177.57 177.98 1paf h GLU 102 N 0.35 -0.69 -0.22 1.57 4.81 -1.28 0.14 114.58 119.26 1paf h GLU 102 Ca -0.08 0.05 -0.05 0.00 -0.13 0.00 0.00 59.36 59.14 1paf h GLU 102 Cb 1.54 0.16 -0.01 0.00 0.63 0.00 0.00 28.75 31.06 1paf h GLU 102 CO 0.17 -0.46 -0.11 1.15 -0.73 0.00 0.00 179.01 179.03 1paf h THR 103 N -0.72 1.20 0.00 0.32 2.02 -1.33 0.30 112.91 114.71 1paf h THR 103 Ca -0.07 -0.85 -0.10 0.00 0.77 0.00 0.00 66.41 66.17 1paf h THR 103 Cb 0.55 1.15 -0.01 0.00 -1.74 0.00 0.00 68.15 68.10 1paf h THR 103 CO 0.11 0.27 -0.89 0.41 0.37 0.00 0.00 175.52 175.79 1paf n THR 104 N -4.26 1.47 -0.15 3.16 -1.04 -0.85 -3.51 114.28 109.10 1paf n THR 104 Ca -0.00 0.10 -0.08 0.00 -2.04 0.00 0.00 64.05 62.03 1paf n THR 104 Cb 0.28 -2.26 0.00 0.00 -1.82 0.00 0.00 70.33 66.54 1paf n THR 104 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 1paf h LEU 105 N -1.00 0.56 -7.28 -4.42 3.38 -1.05 -3.32 115.31 102.18 1paf h LEU 105 Ca -0.14 -0.10 -0.68 0.00 0.09 0.00 0.00 57.88 57.04 1paf h LEU 105 Cb 0.85 -0.14 -0.37 0.00 0.09 0.00 0.00 40.66 41.09 1paf h LEU 105 CO -0.09 0.50 -0.24 0.00 0.09 0.00 0.00 178.44 178.71 1paf n PRO 107 N 2.34 0.04 -3.93 0.00 -0.05 -1.23 -4.40 135.00 127.76 1paf n PRO 107 Ca 0.20 0.37 -0.35 0.00 -0.05 0.00 0.00 63.50 63.67 1paf n PRO 107 Cb 0.36 -1.60 -0.14 0.00 -0.05 0.00 0.00 33.50 32.08 1paf n PRO 107 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 175.50 176.66 1paf s ASN 108 N -3.28 4.23 0.84 3.54 3.84 -1.26 -5.02 114.94 117.82 1paf s ASN 108 Ca 0.04 -0.54 -0.10 0.00 0.21 0.00 0.00 52.86 52.46 1paf s ASN 108 Cb 0.07 -1.70 0.10 0.00 -0.55 0.00 0.00 41.25 39.16 1paf s ASN 108 CO 0.21 -0.05 1.11 0.00 -2.79 0.00 0.00 177.10 175.58 1paf s ALA 109 N 1.43 1.90 0.00 1.71 0.00 -1.26 -3.22 121.76 122.32 1paf s ALA 109 Ca 0.04 0.39 0.00 0.00 0.00 0.00 0.00 51.96 52.40 1paf s ALA 109 Cb -0.15 -3.35 0.00 0.00 0.00 0.00 0.00 23.12 19.63 1paf s ALA 109 CO -0.04 -2.20 0.00 0.09 0.00 0.00 0.00 175.76 173.60 1paf n ASN 110 N -3.83 0.00 -0.21 0.00 3.02 -1.26 -4.74 115.26 108.24 1paf n ASN 110 Ca 0.10 0.00 0.14 0.00 -0.03 0.00 0.00 54.58 54.79 1paf n ASN 110 Cb 0.53 0.00 0.58 0.00 -0.61 0.00 0.00 39.78 40.28 1paf n ASN 110 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 1paf n SER 111 N 2.83 0.76 -4.73 6.41 2.88 -1.20 -4.95 113.62 115.61 1paf n SER 111 Ca 0.00 -0.89 -0.41 0.00 -1.33 0.00 0.00 58.87 56.24 1paf n SER 111 Cb 0.00 -0.01 -0.04 0.00 -0.75 0.00 0.00 64.21 63.42 1paf n SER 111 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 1paf s ARG 112 N -2.33 4.52 -0.01 -1.46 0.52 -1.25 -1.84 118.95 117.10 1paf s ARG 112 Ca 0.32 1.80 0.04 0.00 -0.52 0.00 0.00 55.73 57.37 1paf s ARG 112 Cb 0.20 -3.27 -0.01 0.00 0.52 0.00 0.00 34.95 32.39 1paf s ARG 112 CO 0.44 -0.05 -0.13 0.08 0.02 0.00 0.00 175.30 175.66 1paf s VAL 113 N 0.04 1.05 -0.15 3.52 1.01 -0.18 -4.91 120.40 120.77 1paf s VAL 113 Ca 0.52 -0.55 -0.11 0.00 0.00 0.00 0.00 61.98 61.84 1paf s VAL 113 Cb -0.31 -0.88 -0.05 0.00 0.00 0.00 0.00 36.38 35.14 1paf s VAL 113 CO 0.35 0.30 0.22 -0.44 0.00 0.00 0.00 175.10 175.53 1paf s SER 114 N -0.22 6.39 -0.33 3.32 0.01 -1.26 -0.77 113.70 120.83 1paf s SER 114 Ca 0.03 0.45 -0.00 0.00 1.31 0.00 0.00 55.95 57.75 1paf s SER 114 Cb -0.06 -2.14 0.13 0.00 0.21 0.00 0.00 66.02 64.17 1paf s SER 114 CO -0.00 0.20 0.26 -0.75 0.41 0.00 0.00 173.24 173.36 1paf s LYS 115 N 0.02 0.43 0.72 12.44 2.20 -0.33 -4.92 119.74 130.31 1paf s LYS 115 Ca 0.14 -0.73 -0.13 0.00 -0.36 0.00 0.00 55.97 54.89 1paf s LYS 115 Cb -0.12 -0.95 0.03 0.00 -1.51 0.00 0.00 37.83 35.27 1paf s LYS 115 CO 0.03 -1.12 1.12 -0.80 -0.36 0.00 0.00 175.35 174.22 1paf s ASN 116 N 1.72 4.60 -0.31 1.43 0.02 -1.26 -4.10 114.94 117.04 1paf s ASN 116 Ca 0.14 2.03 -0.20 0.00 -1.02 0.00 0.00 52.86 53.81 1paf s ASN 116 Cb -0.17 -2.55 -0.01 0.00 0.02 0.00 0.00 41.25 38.54 1paf s ASN 116 CO -0.17 -1.97 0.61 -0.63 0.02 0.00 0.00 177.10 174.95 1paf s ILE 117 N -2.45 4.95 -0.39 0.60 1.01 -0.67 -4.90 121.20 119.35 1paf s ILE 117 Ca 0.67 0.81 -0.04 0.00 0.00 0.00 0.00 60.65 62.08 1paf s ILE 117 Cb -0.21 -3.98 0.03 0.00 0.01 0.00 0.00 42.46 38.31 1paf s ILE 117 CO 0.47 -0.13 2.82 0.59 0.00 0.00 0.00 174.94 178.69 1paf n ASN 118 N 5.84 6.32 -3.62 3.58 3.02 -1.26 -2.27 115.26 126.87 1paf n ASN 118 Ca -0.02 -3.11 -0.07 0.00 -0.03 0.00 0.00 54.58 51.36 1paf n ASN 118 Cb 0.49 -1.24 -0.02 0.00 -0.61 0.00 0.00 39.78 38.40 1paf n ASN 118 CO 0.00 0.00 0.00 0.72 -2.62 0.00 0.00 177.26 175.36 1paf s PHE 119 N -1.40 -0.27 0.58 3.10 -0.12 -1.26 -5.01 117.98 113.60 1paf s PHE 119 Ca 0.58 0.04 0.00 0.00 -0.05 0.00 0.00 56.93 57.50 1paf s PHE 119 Cb 0.37 0.59 0.04 0.00 -0.63 0.00 0.00 43.02 43.39 1paf s PHE 119 CO -0.18 -0.73 0.81 0.16 -0.05 0.00 0.00 175.22 175.23 1paf s ASP 120 N -2.72 5.16 0.00 1.98 1.47 -1.26 -2.69 116.67 118.61 1paf s ASP 120 Ca 0.08 -0.00 0.17 0.00 1.18 0.00 0.00 52.55 53.98 1paf s ASP 120 Cb -0.01 -0.82 0.81 0.00 -0.34 0.00 0.00 42.92 42.56 1paf s ASP 120 CO -0.04 -1.24 1.55 -1.54 0.68 0.00 0.00 175.17 174.58 1paf n SER 121 N -2.43 0.80 -4.78 2.11 3.41 -1.26 -4.63 113.62 106.84 1paf n SER 121 Ca 0.09 -1.63 -0.37 0.00 -0.26 0.00 0.00 58.87 56.70 1paf n SER 121 Cb 0.60 -0.06 -0.05 0.00 -0.26 0.00 0.00 64.21 64.44 1paf n SER 121 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1paf s ARG 122 N -1.88 4.31 0.23 4.33 0.52 -1.26 -4.91 118.95 120.30 1paf s ARG 122 Ca 0.27 1.50 -0.06 0.00 -0.52 0.00 0.00 55.73 56.92 1paf s ARG 122 Cb 0.13 -2.67 0.37 0.00 0.52 0.00 0.00 34.95 33.31 1paf s ARG 122 CO 0.21 -0.00 1.79 1.88 0.02 0.00 0.00 175.30 179.19 1paf h TYR 123 N 2.79 0.70 -0.16 -0.53 0.05 -1.99 -2.01 116.97 115.82 1paf h TYR 123 Ca -0.48 0.03 0.04 0.00 0.05 0.00 0.00 58.73 58.37 1paf h TYR 123 Cb 1.21 -0.20 -0.01 0.00 1.01 0.00 0.00 36.73 38.74 1paf h TYR 123 CO 0.59 0.25 0.11 -1.35 -1.05 0.00 0.00 178.16 176.71 1paf h PRO 124 N 0.65 0.04 0.05 4.88 0.11 -1.98 -0.24 132.00 135.51 1paf h PRO 124 Ca 0.37 -0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.48 1paf h PRO 124 Cb 0.39 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.49 1paf h PRO 124 CO -0.27 0.03 -0.02 1.15 -0.21 0.00 0.00 178.00 178.67 1paf h THR 125 N 0.04 1.27 -0.51 -1.15 2.02 -1.71 -2.72 112.91 110.16 1paf h THR 125 Ca 0.07 -1.13 -0.01 0.00 0.77 0.00 0.00 66.41 66.11 1paf h THR 125 Cb 0.23 2.01 -0.03 0.00 -1.74 0.00 0.00 68.15 68.62 1paf h THR 125 CO -0.00 0.28 0.27 -0.07 0.37 0.00 0.00 175.52 176.36 1paf h LEU 126 N -0.58 0.62 -0.79 2.58 3.38 -0.99 -0.22 115.31 119.31 1paf h LEU 126 Ca -0.01 -0.04 -0.12 0.00 0.09 0.00 0.00 57.88 57.79 1paf h LEU 126 Cb 0.51 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 1paf h LEU 126 CO 0.01 0.51 -0.44 -0.33 0.09 0.00 0.00 178.44 178.28 1paf h GLU 127 N 0.70 0.36 -0.07 1.13 5.08 -1.10 -1.73 114.58 118.96 1paf h GLU 127 Ca 0.18 -0.19 -0.09 0.00 -1.00 0.00 0.00 59.36 58.26 1paf h GLU 127 Cb 0.04 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 1paf h GLU 127 CO -0.03 0.74 -0.37 0.77 -1.00 0.00 0.00 179.01 179.13 1paf h SER 128 N 0.30 0.15 0.30 1.42 0.02 -0.70 -1.09 113.55 113.94 1paf h SER 128 Ca 0.02 -0.06 -0.33 0.00 -0.84 0.00 0.00 61.79 60.58 1paf h SER 128 Cb 0.90 -0.04 0.03 0.00 0.14 0.00 0.00 62.40 63.43 1paf h SER 128 CO 0.08 0.51 -1.48 0.11 -1.14 0.00 0.00 176.83 174.91 1paf h LYS 129 N 0.13 0.50 0.00 3.45 1.79 -1.34 -2.91 116.57 118.20 1paf h LYS 129 Ca 0.01 -0.86 -0.01 0.00 -2.18 0.00 0.00 60.65 57.61 1paf h LYS 129 Cb 0.71 0.32 -0.00 0.00 -1.58 0.00 0.00 32.23 31.68 1paf h LYS 129 CO 0.05 1.41 -0.06 0.00 -1.08 0.00 0.00 179.45 179.77 1paf h ALA 130 N 0.20 1.12 -3.83 3.86 0.00 -1.03 -3.25 119.26 116.34 1paf h ALA 130 Ca -0.25 -0.05 -0.14 0.00 0.00 0.00 0.00 54.91 54.46 1paf h ALA 130 Cb 2.15 -0.01 0.08 0.00 0.00 0.00 0.00 17.79 20.01 1paf h ALA 130 CO 0.26 0.08 -0.37 0.41 0.00 0.00 0.00 179.25 179.63 1paf n GLY 131 N -0.55 0.03 3.11 0.00 0.00 -0.44 -4.98 105.19 102.36 1paf n GLY 131 Ca -0.01 -0.10 -0.11 0.00 0.00 0.00 0.00 46.02 45.80 1paf n GLY 131 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1paf s VAL 132 N -3.17 0.53 0.03 1.61 0.11 -1.01 -5.07 120.40 113.43 1paf s VAL 132 Ca 0.07 -1.55 -0.02 0.00 -2.93 0.00 0.00 61.98 57.56 1paf s VAL 132 Cb -0.01 -1.18 -0.27 0.00 -1.53 0.00 0.00 36.38 33.39 1paf s VAL 132 CO 0.34 -0.69 0.97 0.11 -3.33 0.00 0.00 175.10 172.49 1paf h LYS 133 N 3.65 0.22 -3.18 1.54 1.57 -1.98 -3.40 116.57 114.98 1paf h LYS 133 Ca -0.35 -0.38 -0.16 0.00 -1.87 0.00 0.00 60.65 57.90 1paf h LYS 133 Cb 1.18 0.14 -0.24 0.00 0.08 0.00 0.00 32.23 33.39 1paf h LYS 133 CO 0.55 1.10 -0.42 0.45 -0.57 0.00 0.00 179.45 180.56 1paf s SER 134 N -6.96 -0.20 0.08 0.86 0.15 -1.26 -5.01 113.70 101.35 1paf s SER 134 Ca -0.06 0.33 -0.31 0.00 0.70 0.00 0.00 55.95 56.61 1paf s SER 134 Cb 0.07 0.43 -0.09 0.00 -1.71 0.00 0.00 66.02 64.72 1paf s SER 134 CO 0.86 -0.18 1.83 0.00 1.20 0.00 0.00 173.24 176.95 1paf s ARG 135 N -0.29 4.15 0.00 5.44 1.70 -1.26 -2.17 118.95 126.52 1paf s ARG 135 Ca -0.04 2.53 0.00 0.00 -0.47 0.00 0.00 55.73 57.75 1paf s ARG 135 Cb -0.03 -3.77 0.00 0.00 -0.57 0.00 0.00 34.95 30.58 1paf s ARG 135 CO 0.01 -0.86 0.00 -1.13 -1.08 0.00 0.00 175.30 172.24 1paf n SER 136 N 6.25 0.00 0.10 -2.89 3.41 -1.26 -4.80 113.62 114.43 1paf n SER 136 Ca 0.18 0.00 0.13 0.00 -0.26 0.00 0.00 58.87 58.92 1paf n SER 136 Cb 0.40 0.00 0.43 0.00 -0.26 0.00 0.00 64.21 64.78 1paf n SER 136 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1paf n GLN 137 N 0.00 0.23 -3.96 4.33 6.02 -0.92 -4.07 117.38 119.00 1paf n GLN 137 Ca 0.00 0.22 -0.35 0.00 -0.01 0.00 0.00 57.00 56.86 1paf n GLN 137 Cb 0.00 -1.78 -0.09 0.00 1.02 0.00 0.00 30.24 29.39 1paf n GLN 137 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1paf s VAL 138 N -3.11 4.95 0.48 5.09 0.11 -1.26 -5.07 120.40 121.59 1paf s VAL 138 Ca 0.10 0.02 -0.16 0.00 -2.93 0.00 0.00 61.98 59.01 1paf s VAL 138 Cb 0.13 -3.22 -0.08 0.00 -1.53 0.00 0.00 36.38 31.68 1paf s VAL 138 CO 0.57 0.49 0.94 -1.10 -3.33 0.00 0.00 175.10 172.66 1paf s GLN 139 N 0.12 3.96 0.26 1.54 -0.21 -1.26 -4.40 119.66 119.67 1paf s GLN 139 Ca 0.06 0.89 0.11 0.00 0.02 0.00 0.00 55.36 56.44 1paf s GLN 139 Cb -0.12 -2.19 -0.05 0.00 1.00 0.00 0.00 33.01 31.65 1paf s GLN 139 CO 0.00 -0.19 -0.13 -0.51 -2.12 0.00 0.00 175.29 172.34 1paf s LEU 140 N -3.89 2.80 0.00 2.90 1.02 -0.19 -4.88 118.68 116.44 1paf s LEU 140 Ca 0.58 -0.87 0.00 0.00 0.02 0.00 0.00 54.13 53.86 1paf s LEU 140 Cb -0.10 -1.34 0.00 0.00 0.02 0.00 0.00 46.19 44.77 1paf s LEU 140 CO 0.29 0.04 0.00 0.61 0.02 0.00 0.00 176.35 177.30 1paf n GLY 141 N -0.61 3.43 0.07 -3.19 0.00 -1.26 -0.44 105.19 103.19 1paf n GLY 141 Ca -0.06 -0.83 -0.13 0.00 0.00 0.00 0.00 46.02 45.00 1paf n GLY 141 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1paf h ILE 142 N 2.43 1.09 0.00 -0.61 1.08 -1.83 0.39 117.51 120.05 1paf h ILE 142 Ca 0.00 -0.50 -0.02 0.00 -0.39 0.00 0.00 64.86 63.95 1paf h ILE 142 Cb 0.00 1.42 -0.00 0.00 -3.07 0.00 0.00 36.82 35.17 1paf h ILE 142 CO 0.00 0.13 -0.11 1.56 -0.69 0.00 0.00 178.15 179.04 1paf h GLN 143 N -0.30 0.00 -0.29 2.37 7.50 -1.91 -0.32 115.11 122.17 1paf h GLN 143 Ca -0.01 0.00 -0.15 0.00 0.50 0.00 0.00 58.65 58.99 1paf h GLN 143 Cb 0.27 0.00 -0.00 0.00 0.05 0.00 0.00 27.48 27.79 1paf h GLN 143 CO 0.01 0.11 -0.42 0.82 -1.50 0.00 0.00 178.83 177.85 1paf h ILE 144 N 0.00 1.29 -0.03 2.54 2.04 -1.78 -2.07 117.51 119.51 1paf h ILE 144 Ca -0.00 -1.61 -0.00 0.00 1.00 0.00 0.00 64.86 64.25 1paf h ILE 144 Cb 0.27 1.62 -0.00 0.00 -0.74 0.00 0.00 36.82 37.97 1paf h ILE 144 CO 0.01 0.52 0.01 0.25 0.00 0.00 0.00 178.15 178.95 1paf h LEU 145 N 0.56 0.03 -0.09 1.44 5.85 0.71 0.98 115.31 124.80 1paf h LEU 145 Ca 0.03 -0.15 0.04 0.00 0.84 0.00 0.00 57.88 58.64 1paf h LEU 145 Cb 1.02 -0.01 -0.05 0.00 0.37 0.00 0.00 40.66 41.99 1paf h LEU 145 CO 0.10 0.17 -0.22 -0.78 -0.34 0.00 0.00 178.44 177.37 1paf h ASP 146 N -0.10 -0.66 -0.20 1.25 3.58 -1.29 -0.04 116.42 118.96 1paf h ASP 146 Ca 0.01 0.10 0.00 0.00 0.42 0.00 0.00 57.03 57.57 1paf h ASP 146 Cb 0.15 0.29 -0.01 0.00 1.72 0.00 0.00 39.33 41.48 1paf h ASP 146 CO -0.00 -0.27 0.13 -1.28 -2.88 0.00 0.00 179.24 174.94 1paf h SER 147 N -0.30 0.22 0.37 2.28 0.87 -1.25 -1.65 113.55 114.09 1paf h SER 147 Ca 0.09 -0.01 -0.27 0.00 -1.23 0.00 0.00 61.79 60.38 1paf h SER 147 Cb 0.42 -0.05 0.01 0.00 -0.44 0.00 0.00 62.40 62.34 1paf h SER 147 CO -0.26 0.16 -1.14 0.78 -0.53 0.00 0.00 176.83 175.84 1paf h ASN 148 N 0.26 0.61 -0.69 6.23 4.21 0.25 -2.46 115.58 123.98 1paf h ASN 148 Ca 0.07 -0.56 0.15 0.00 1.21 0.00 0.00 56.30 57.17 1paf h ASN 148 Cb -0.01 -0.19 -0.12 0.00 -1.12 0.00 0.00 38.32 36.88 1paf h ASN 148 CO -0.02 1.39 -0.01 0.40 -1.29 0.00 0.00 177.43 177.90 1paf h ILE 149 N 0.19 0.40 0.00 2.81 2.04 -0.71 -0.68 117.51 121.56 1paf h ILE 149 Ca -0.13 -0.03 0.00 0.00 1.00 0.00 0.00 64.86 65.69 1paf h ILE 149 Cb 1.82 0.30 0.00 0.00 -0.74 0.00 0.00 36.82 38.19 1paf h ILE 149 CO 0.20 0.02 0.00 1.23 0.00 0.00 0.00 178.15 179.60 1paf h GLY 150 N 0.10 0.00 1.50 5.37 0.00 -1.18 0.13 103.07 108.99 1paf h GLY 150 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.70 1paf h GLY 150 CO -0.61 0.00 -0.35 0.28 0.00 0.00 0.00 176.54 175.86 1paf n LYS 151 N -2.83 0.22 -0.05 4.80 5.02 -0.29 -4.52 118.16 120.51 1paf n LYS 151 Ca -0.00 0.11 -0.09 0.00 -2.02 0.00 0.00 58.31 56.30 1paf n LYS 151 Cb 0.19 -1.69 -0.04 0.00 -0.02 0.00 0.00 35.03 33.47 1paf n LYS 151 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 1paf n ILE 152 N -2.04 0.57 -2.22 -0.18 2.08 -0.37 -4.84 119.36 112.36 1paf n ILE 152 Ca 0.05 -0.18 -0.43 0.00 0.56 0.00 0.00 62.75 62.75 1paf n ILE 152 Cb 0.42 -1.30 -0.02 0.00 -0.75 0.00 0.00 39.64 37.98 1paf n ILE 152 CO 0.00 0.00 0.00 -0.55 0.56 0.00 0.00 176.55 176.56 1paf s SER 153 N -5.52 6.70 -0.95 4.38 0.15 0.32 -2.75 113.70 116.03 1paf s SER 153 Ca -0.14 1.80 -0.00 0.00 0.70 0.00 0.00 55.95 58.31 1paf s SER 153 Cb 0.05 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.82 1paf s SER 153 CO 0.20 -0.95 0.03 0.61 1.20 0.00 0.00 173.24 174.33 1paf n GLY 154 N 4.08 -0.08 3.62 9.45 0.00 -1.24 -4.91 105.19 116.10 1paf n GLY 154 Ca 0.16 -0.40 -0.34 0.00 0.00 0.00 0.00 46.02 45.43 1paf n GLY 154 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1paf s VAL 155 N -2.59 4.28 0.08 1.61 -7.23 -1.11 -4.92 120.40 110.52 1paf s VAL 155 Ca 0.01 -0.24 -0.34 0.00 -1.81 0.00 0.00 61.98 59.60 1paf s VAL 155 Cb -0.01 -2.84 -0.18 0.00 0.56 0.00 0.00 36.38 33.91 1paf s VAL 155 CO 0.02 0.55 1.60 -0.03 -0.31 0.00 0.00 175.10 176.93 1paf h MET 156 N 5.86 -0.96 -5.22 4.82 1.85 -1.96 -3.45 114.93 115.88 1paf h MET 156 Ca -0.43 0.07 -0.60 0.00 -0.61 0.00 0.00 59.70 58.13 1paf h MET 156 Cb 1.19 0.22 -0.32 0.00 0.43 0.00 0.00 31.60 33.11 1paf h MET 156 CO 0.60 -0.64 -0.85 -1.12 -0.40 0.00 0.00 176.91 174.50 1paf s SER 157 N -4.34 2.42 -0.02 1.39 0.01 -1.26 -5.05 113.70 106.86 1paf s SER 157 Ca -0.18 -0.41 0.02 0.00 1.31 0.00 0.00 55.95 56.69 1paf s SER 157 Cb 0.04 -0.90 0.03 0.00 0.21 0.00 0.00 66.02 65.41 1paf s SER 157 CO 0.62 0.14 0.81 2.22 0.41 0.00 0.00 173.24 177.44 1paf n PHE 158 N 3.38 0.00 -1.24 2.43 1.16 -1.26 -5.11 117.46 116.82 1paf n PHE 158 Ca -0.19 -0.20 0.00 0.00 -1.87 0.00 0.00 57.45 55.19 1paf n PHE 158 Cb 0.53 -0.04 0.00 0.00 -1.61 0.00 0.00 39.48 38.35 1paf n PHE 158 CO 0.00 0.00 0.00 2.41 -1.87 0.00 0.00 176.76 177.30 1paf n THR 159 N -0.25 -4.23 0.09 1.97 -1.04 -1.26 -4.39 114.28 105.16 1paf n THR 159 Ca 0.02 1.80 0.02 0.00 -2.04 0.00 0.00 64.05 63.85 1paf n THR 159 Cb 0.54 -2.60 0.37 0.00 -1.82 0.00 0.00 70.33 66.82 1paf n THR 159 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 1paf h GLU 160 N 1.78 0.32 -0.54 -2.82 5.08 -1.99 -1.86 114.58 114.55 1paf h GLU 160 Ca 0.00 -0.07 -0.07 0.00 -1.00 0.00 0.00 59.36 58.22 1paf h GLU 160 Cb 0.00 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.18 1paf h GLU 160 CO 0.00 0.42 0.05 -0.22 -1.00 0.00 0.00 179.01 178.26 1paf h LYS 161 N 0.30 0.88 0.10 2.33 3.64 -1.87 0.97 116.57 122.93 1paf h LYS 161 Ca 0.06 -0.23 -0.00 0.00 -1.27 0.00 0.00 60.65 59.21 1paf h LYS 161 Cb 0.35 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.06 1paf h LYS 161 CO 0.02 0.85 -0.05 1.15 -2.27 0.00 0.00 179.45 179.15 1paf h THR 162 N 0.83 1.12 -0.09 1.00 2.02 -1.69 -2.32 112.91 113.77 1paf h THR 162 Ca 0.17 -0.96 0.02 0.00 0.77 0.00 0.00 66.41 66.40 1paf h THR 162 Cb 0.42 1.72 -0.02 0.00 -1.74 0.00 0.00 68.15 68.53 1paf h THR 162 CO 0.01 0.23 -0.03 -0.08 0.37 0.00 0.00 175.52 176.02 1paf h GLU 163 N -0.59 -0.01 -0.75 6.66 4.81 -1.14 -1.59 114.58 121.96 1paf h GLU 163 Ca -0.01 0.00 0.06 0.00 -0.13 0.00 0.00 59.36 59.28 1paf h GLU 163 Cb 0.48 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.80 1paf h GLU 163 CO 0.02 -0.01 0.44 0.00 -0.73 0.00 0.00 179.01 178.74 1paf h ALA 164 N 1.08 1.02 -0.72 2.92 0.00 -0.89 -1.91 119.26 120.76 1paf h ALA 164 Ca 0.04 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1paf h ALA 164 Cb 0.08 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 1paf h ALA 164 CO -0.10 0.14 0.45 0.93 0.00 0.00 0.00 179.25 180.67 1paf h GLU 165 N 0.80 0.97 -0.36 0.00 5.08 -1.31 0.22 114.58 119.99 1paf h GLU 165 Ca 0.33 -0.08 0.06 0.00 -1.00 0.00 0.00 59.36 58.67 1paf h GLU 165 Cb 0.19 -0.21 -0.05 0.00 0.50 0.00 0.00 28.75 29.18 1paf h GLU 165 CO -0.18 0.68 0.04 0.35 -1.00 0.00 0.00 179.01 178.89 1paf h PHE 166 N 0.98 0.05 -0.07 4.33 3.57 -0.68 -2.60 116.94 122.53 1paf h PHE 166 Ca 0.26 0.02 -0.13 0.00 3.53 0.00 0.00 57.97 61.66 1paf h PHE 166 Cb -0.06 0.03 -0.01 0.00 2.79 0.00 0.00 35.95 38.70 1paf h PHE 166 CO -0.01 -0.02 -0.53 -0.07 -2.23 0.00 0.00 178.31 175.44 1paf h LEU 167 N 0.15 0.21 -0.27 0.59 -0.00 -0.56 0.85 115.31 116.27 1paf h LEU 167 Ca 0.17 -0.11 -0.01 0.00 -0.00 0.00 0.00 57.88 57.94 1paf h LEU 167 Cb 0.22 -0.06 -0.01 0.00 -0.00 0.00 0.00 40.66 40.81 1paf h LEU 167 CO -0.25 0.70 0.14 -0.07 -0.00 0.00 0.00 178.44 178.96 1paf h LEU 168 N 0.15 0.34 0.22 1.67 3.38 -0.48 0.52 115.31 121.11 1paf h LEU 168 Ca 0.00 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 1paf h LEU 168 Cb 0.99 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.66 1paf h LEU 168 CO 0.08 0.34 -0.11 0.58 0.09 0.00 0.00 178.44 179.43 1paf h VAL 169 N 0.31 0.85 -0.41 1.22 2.07 -1.34 -2.87 116.25 116.08 1paf h VAL 169 Ca 0.09 -0.51 -0.07 0.00 0.82 0.00 0.00 66.70 67.03 1paf h VAL 169 Cb 0.08 1.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.99 1paf h VAL 169 CO -0.01 0.11 -0.02 0.00 0.02 0.00 0.00 177.57 177.66 1paf h ALA 170 N 0.14 0.55 -0.97 1.67 0.00 -0.82 0.09 119.26 119.92 1paf h ALA 170 Ca -0.03 -0.28 0.02 0.00 0.00 0.00 0.00 54.91 54.62 1paf h ALA 170 Cb 0.42 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.00 1paf h ALA 170 CO 0.05 0.36 0.64 0.82 0.00 0.00 0.00 179.25 181.12 1paf h ILE 171 N 0.57 1.22 -0.40 0.00 2.04 -0.98 0.17 117.51 120.13 1paf h ILE 171 Ca 0.11 -0.44 -0.11 0.00 1.00 0.00 0.00 64.86 65.43 1paf h ILE 171 Cb 0.52 -0.18 -0.01 0.00 -0.74 0.00 0.00 36.82 36.41 1paf h ILE 171 CO 0.03 0.23 -0.17 1.56 0.00 0.00 0.00 178.15 179.80 1paf h GLN 172 N 1.28 0.81 0.01 2.37 4.20 -1.36 0.76 115.11 123.18 1paf h GLN 172 Ca 0.37 -0.34 -0.19 0.00 0.06 0.00 0.00 58.65 58.54 1paf h GLN 172 Cb -0.10 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 27.63 1paf h GLN 172 CO -0.09 0.97 -0.90 0.52 -0.67 0.00 0.00 178.83 178.66 1paf h MET 173 N 0.62 0.05 0.00 1.46 2.86 -0.76 -1.74 114.93 117.42 1paf h MET 173 Ca 0.09 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.67 1paf h MET 173 Cb 0.72 0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.39 1paf h MET 173 CO 0.05 0.91 0.00 0.28 1.06 0.00 0.00 176.91 179.21 1paf n VAL 174 N -3.52 0.00 -0.13 -2.22 0.31 0.56 -4.29 118.33 109.05 1paf n VAL 174 Ca -0.01 0.36 -0.12 0.00 -0.01 0.00 0.00 64.34 64.55 1paf n VAL 174 Cb 0.84 -1.35 -0.01 0.00 -0.91 0.00 0.00 33.84 32.41 1paf n VAL 174 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 1paf h SER 175 N 0.00 1.00 0.23 4.52 0.02 -1.43 -1.55 113.55 116.34 1paf h SER 175 Ca 0.00 -0.44 -0.01 0.00 -0.84 0.00 0.00 61.79 60.50 1paf h SER 175 Cb 0.00 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 62.26 1paf h SER 175 CO 0.00 1.24 -0.11 -0.33 -1.14 0.00 0.00 176.83 176.49 1paf h GLU 176 N 0.78 -0.29 -0.83 3.45 4.39 -0.96 -2.61 114.58 118.52 1paf h GLU 176 Ca 0.07 0.02 0.19 0.00 0.34 0.00 0.00 59.36 59.99 1paf h GLU 176 Cb 0.93 0.07 -0.15 0.00 -0.10 0.00 0.00 28.75 29.50 1paf h GLU 176 CO 0.09 0.06 -0.03 0.00 -1.16 0.00 0.00 179.01 177.97 1paf h ALA 177 N -0.08 0.83 0.00 3.43 0.00 -1.33 -1.19 119.26 120.92 1paf h ALA 177 Ca -0.03 0.28 -0.07 0.00 0.00 0.00 0.00 54.91 55.09 1paf h ALA 177 Cb 0.49 0.50 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 1paf h ALA 177 CO 0.05 -0.45 -0.31 0.00 0.00 0.00 0.00 179.25 178.54 1paf h ALA 178 N 1.79 1.32 0.05 0.00 0.00 -1.10 -2.77 119.26 118.55 1paf h ALA 178 Ca 0.45 -0.28 -0.23 0.00 0.00 0.00 0.00 54.91 54.85 1paf h ALA 178 Cb 0.81 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 1paf h ALA 178 CO -0.76 0.39 -1.05 0.00 0.00 0.00 0.00 179.25 177.82 1paf h ARG 179 N 0.00 0.15 -4.82 0.00 3.08 -0.87 -3.39 114.38 108.53 1paf h ARG 179 Ca -0.00 -0.22 -0.65 0.00 0.07 0.00 0.00 59.98 59.18 1paf h ARG 179 Cb 0.61 0.08 -0.36 0.00 0.08 0.00 0.00 29.97 30.38 1paf h ARG 179 CO 0.04 1.06 -0.83 -0.06 -1.07 0.00 0.00 179.97 179.12 1paf s PHE 180 N -2.83 2.71 0.44 3.04 0.08 -0.71 0.27 117.98 120.98 1paf s PHE 180 Ca -0.02 -1.73 0.13 0.00 0.12 0.00 0.00 56.93 55.43 1paf s PHE 180 Cb 0.09 -1.80 1.04 0.00 -0.57 0.00 0.00 43.02 41.78 1paf s PHE 180 CO 0.84 -0.79 2.01 -0.22 -0.10 0.00 0.00 175.22 176.97 1paf h LYS 181 N 7.93 0.37 -0.82 0.44 3.11 -1.38 -1.25 116.57 124.96 1paf h LYS 181 Ca -0.34 -0.02 -0.04 0.00 -2.81 0.00 0.00 60.65 57.44 1paf h LYS 181 Cb 1.10 -0.08 -0.04 0.00 -1.00 0.00 0.00 32.23 32.21 1paf h LYS 181 CO 0.54 0.24 0.36 -0.92 -2.81 0.00 0.00 179.45 176.86 1paf h TYR 182 N 0.38 1.22 0.09 1.91 3.20 -1.65 -1.14 116.97 120.98 1paf h TYR 182 Ca 0.23 -0.08 -0.26 0.00 3.14 0.00 0.00 58.73 61.76 1paf h TYR 182 Cb 0.40 -0.37 0.00 0.00 1.54 0.00 0.00 36.73 38.30 1paf h TYR 182 CO -0.00 0.90 -1.14 0.82 -1.64 0.00 0.00 178.16 177.10 1paf h ILE 183 N 1.18 1.48 -0.74 1.81 2.04 -1.53 -2.19 117.51 119.56 1paf h ILE 183 Ca 0.28 -2.90 0.08 0.00 1.00 0.00 0.00 64.86 63.32 1paf h ILE 183 Cb 0.17 2.79 -0.07 0.00 -0.74 0.00 0.00 36.82 38.97 1paf h ILE 183 CO -0.03 0.85 0.41 -0.08 0.00 0.00 0.00 178.15 179.30 1paf h GLU 184 N 0.11 0.69 0.00 2.37 4.81 -1.14 -1.05 114.58 120.37 1paf h GLU 184 Ca -0.11 -0.04 -0.12 0.00 -0.13 0.00 0.00 59.36 58.96 1paf h GLU 184 Cb 1.84 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 31.05 1paf h GLU 184 CO 0.19 0.46 -0.56 -0.91 -0.73 0.00 0.00 179.01 177.45 1paf h ASN 185 N 0.71 0.00 -0.79 1.04 2.35 -0.63 -1.59 115.58 116.68 1paf h ASN 185 Ca 0.35 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 56.09 1paf h ASN 185 Cb 0.30 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.63 1paf h ASN 185 CO -0.23 0.56 0.43 1.56 -1.65 0.00 0.00 177.43 178.10 1paf h GLN 186 N 0.00 1.11 -0.00 0.81 1.08 -0.68 -0.06 115.11 117.37 1paf h GLN 186 Ca -0.01 -0.13 -0.15 0.00 -1.45 0.00 0.00 58.65 56.91 1paf h GLN 186 Cb 1.13 -0.22 -0.02 0.00 -0.05 0.00 0.00 27.48 28.32 1paf h GLN 186 CO 0.07 0.81 -0.73 0.28 -0.95 0.00 0.00 178.83 178.31 1paf h VAL 187 N 1.11 1.52 -0.28 -0.54 2.07 -0.67 -3.07 116.25 116.39 1paf h VAL 187 Ca 0.28 -2.49 -0.10 0.00 0.82 0.00 0.00 66.70 65.21 1paf h VAL 187 Cb 0.03 2.34 -0.01 0.00 -1.52 0.00 0.00 31.29 32.14 1paf h VAL 187 CO -0.04 0.71 -0.22 0.11 0.02 0.00 0.00 177.57 178.15 1paf h LYS 188 N 0.01 0.64 0.00 1.57 1.57 -0.34 -1.77 116.57 118.25 1paf h LYS 188 Ca -0.01 -0.32 0.00 0.00 -1.87 0.00 0.00 60.65 58.46 1paf h LYS 188 Cb 1.29 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.61 1paf h LYS 188 CO 0.10 0.91 0.00 2.41 -0.57 0.00 0.00 179.45 182.30 1paf n THR 189 N -4.34 1.17 -1.34 -0.16 -1.04 -0.13 -1.38 114.28 107.06 1paf n THR 189 Ca -0.04 0.58 0.03 0.00 -2.04 0.00 0.00 64.05 62.58 1paf n THR 189 Cb 0.42 -1.55 0.05 0.00 -1.82 0.00 0.00 70.33 67.43 1paf n THR 189 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 1paf n ASN 190 N -2.08 1.02 -0.37 8.00 3.02 -1.04 -4.90 115.26 118.91 1paf n ASN 190 Ca -0.00 -2.25 0.29 0.00 -0.03 0.00 0.00 54.58 52.59 1paf n ASN 190 Cb 0.07 -0.23 0.57 0.00 -0.61 0.00 0.00 39.78 39.58 1paf n ASN 190 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 1paf h PHE 191 N 0.00 0.57 -0.49 3.10 3.57 -0.33 -1.36 116.94 122.00 1paf h PHE 191 Ca 0.00 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.48 1paf h PHE 191 Cb 1.11 -0.16 -0.03 0.00 2.79 0.00 0.00 35.95 39.67 1paf h PHE 191 CO 0.04 -0.05 0.06 0.09 -2.23 0.00 0.00 178.31 176.22 1paf n ASN 192 N -4.63 4.64 -3.18 0.41 3.02 -1.26 -4.60 115.26 109.67 1paf n ASN 192 Ca 0.30 -2.80 -0.09 0.00 -0.03 0.00 0.00 54.58 51.96 1paf n ASN 192 Cb 1.11 -0.66 0.01 0.00 -0.61 0.00 0.00 39.78 39.62 1paf n ASN 192 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1paf s ARG 193 N -2.42 2.10 0.16 3.52 1.70 -0.51 -5.10 118.95 118.39 1paf s ARG 193 Ca 0.44 -1.36 -0.14 0.00 -0.47 0.00 0.00 55.73 54.19 1paf s ARG 193 Cb 0.34 0.61 -0.07 0.00 -0.57 0.00 0.00 34.95 35.25 1paf s ARG 193 CO 0.12 -0.97 0.56 0.00 -1.08 0.00 0.00 175.30 173.93 1paf s ALA 194 N -2.75 3.57 0.04 7.88 0.00 -1.26 -4.67 121.76 124.56 1paf s ALA 194 Ca 0.16 -0.13 -0.03 0.00 0.00 0.00 0.00 51.96 51.97 1paf s ALA 194 Cb -0.05 -2.53 -0.02 0.00 0.00 0.00 0.00 23.12 20.52 1paf s ALA 194 CO 0.11 0.45 0.02 -0.59 0.00 0.00 0.00 175.76 175.75 1paf s PHE 195 N -1.49 0.31 -0.07 0.00 -0.71 0.42 -4.92 117.98 111.52 1paf s PHE 195 Ca 0.39 -0.68 -0.21 0.00 -1.04 0.00 0.00 56.93 55.39 1paf s PHE 195 Cb -0.15 -0.23 -0.04 0.00 -1.21 0.00 0.00 43.02 41.39 1paf s PHE 195 CO 0.19 -0.32 0.60 -0.80 -1.34 0.00 0.00 175.22 173.56 1paf s ASN 196 N -2.16 6.88 -0.08 1.98 0.01 -1.26 -1.02 114.94 119.29 1paf s ASN 196 Ca -0.05 1.05 -0.37 0.00 -0.71 0.00 0.00 52.86 52.79 1paf s ASN 196 Cb -0.01 -2.36 -0.15 0.00 0.41 0.00 0.00 41.25 39.14 1paf s ASN 196 CO -0.05 -0.03 1.66 -2.65 -1.51 0.00 0.00 177.10 174.52 1paf n PRO 197 N 3.52 1.56 -2.24 -0.60 -0.02 -1.26 -5.00 135.00 130.96 1paf n PRO 197 Ca -0.04 0.57 -0.28 0.00 -2.02 0.00 0.00 63.50 61.73 1paf n PRO 197 Cb 0.51 -2.30 0.04 0.00 -0.02 0.00 0.00 33.50 31.74 1paf n PRO 197 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1paf s ASN 198 N 2.54 5.51 0.50 2.55 2.20 -1.26 -4.72 114.94 122.26 1paf s ASN 198 Ca 0.91 0.82 0.26 0.00 -0.94 0.00 0.00 52.86 53.91 1paf s ASN 198 Cb -0.89 -1.74 1.35 0.00 -2.00 0.00 0.00 41.25 37.97 1paf s ASN 198 CO 0.53 -1.17 1.90 -0.65 -2.94 0.00 0.00 177.10 174.78 1paf h PRO 199 N -0.33 0.11 -0.06 3.55 0.11 -1.80 -1.83 132.00 131.74 1paf h PRO 199 Ca -0.45 -0.01 -0.25 0.00 0.11 0.00 0.00 66.00 65.40 1paf h PRO 199 Cb 1.26 -0.03 0.02 0.00 0.11 0.00 0.00 31.00 32.36 1paf h PRO 199 CO 0.62 0.07 -0.95 -0.22 -0.21 0.00 0.00 178.00 177.31 1paf h LYS 200 N 0.11 0.74 -0.73 1.05 3.64 -1.74 0.19 116.57 119.84 1paf h LYS 200 Ca 0.40 -0.72 0.01 0.00 -1.27 0.00 0.00 60.65 59.07 1paf h LYS 200 Cb 1.41 0.19 -0.04 0.00 -0.41 0.00 0.00 32.23 33.38 1paf h LYS 200 CO -0.05 1.31 0.48 -0.39 -2.27 0.00 0.00 179.45 178.52 1paf h VAL 201 N 0.45 1.17 -0.06 2.00 -1.51 -1.69 0.56 116.25 117.18 1paf h VAL 201 Ca -0.10 -0.33 -0.04 0.00 -1.23 0.00 0.00 66.70 65.00 1paf h VAL 201 Cb 1.59 0.12 0.00 0.00 -2.13 0.00 0.00 31.29 30.88 1paf h VAL 201 CO 0.19 0.18 -0.11 -0.07 -1.23 0.00 0.00 177.57 176.52 1paf h LEU 202 N 0.97 0.20 -0.53 4.19 3.38 -1.33 -2.64 115.31 119.55 1paf h LEU 202 Ca 0.27 -0.56 0.00 0.00 0.09 0.00 0.00 57.88 57.68 1paf h LEU 202 Cb -0.08 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.58 1paf h LEU 202 CO -0.06 0.72 0.33 -1.13 0.09 0.00 0.00 178.44 178.40 1paf h ASN 203 N -0.31 0.62 -1.00 -0.43 -1.24 -0.13 -2.16 115.58 110.93 1paf h ASN 203 Ca 0.00 -0.04 0.07 0.00 0.71 0.00 0.00 56.30 57.05 1paf h ASN 203 Cb 0.69 -0.16 -0.07 0.00 0.73 0.00 0.00 38.32 39.51 1paf h ASN 203 CO 0.03 0.47 0.65 -0.07 -1.29 0.00 0.00 177.43 177.21 1paf h LEU 204 N 0.71 1.02 -0.44 0.34 4.07 -0.89 -2.15 115.31 117.96 1paf h LEU 204 Ca 0.19 0.02 0.01 0.00 0.08 0.00 0.00 57.88 58.18 1paf h LEU 204 Cb -0.05 -0.20 -0.03 0.00 1.08 0.00 0.00 40.66 41.46 1paf h LEU 204 CO -0.04 0.63 0.27 1.56 -1.08 0.00 0.00 178.44 179.79 1paf h GLN 205 N 1.14 0.53 -0.00 1.13 4.20 -1.02 -2.82 115.11 118.28 1paf h GLN 205 Ca 0.44 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 59.12 1paf h GLN 205 Cb 0.22 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 27.88 1paf h GLN 205 CO -0.19 0.35 -0.11 0.39 -0.67 0.00 0.00 178.83 178.61 1paf n GLU 206 N -4.82 0.18 -0.06 1.46 1.02 -0.97 -3.72 120.64 113.72 1paf n GLU 206 Ca 0.02 -0.04 0.02 0.00 -0.02 0.00 0.00 57.16 57.14 1paf n GLU 206 Cb 0.05 -1.50 0.05 0.00 -0.02 0.00 0.00 31.44 30.02 1paf n GLU 206 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1paf n THR 207 N -1.38 1.08 -0.28 2.62 -2.24 -0.84 -4.78 114.28 108.46 1paf n THR 207 Ca 0.09 -1.10 0.17 0.00 -2.27 0.00 0.00 64.05 60.94 1paf n THR 207 Cb 0.31 0.44 0.45 0.00 -2.10 0.00 0.00 70.33 69.43 1paf n THR 207 CO 0.00 0.00 0.00 -0.25 -0.57 0.00 0.00 175.07 174.25 1paf h TRP 208 N 0.53 0.71 0.00 4.78 7.01 -1.60 -1.59 115.95 125.80 1paf h TRP 208 Ca 0.00 0.02 -0.00 0.00 2.11 0.00 0.00 58.89 61.02 1paf h TRP 208 Cb 0.61 -0.22 0.00 0.00 -2.10 0.00 0.00 29.16 27.45 1paf h TRP 208 CO 0.07 0.19 -0.00 0.78 -2.79 0.00 0.00 178.44 176.68 1paf h GLY 209 N 0.54 -0.01 1.00 2.65 0.00 -1.89 0.06 103.07 105.42 1paf h GLY 209 Ca 0.50 0.00 0.01 0.00 0.00 0.00 0.00 47.33 47.84 1paf h GLY 209 CO -0.23 -0.00 0.45 1.70 0.00 0.00 0.00 176.54 178.45 1paf h LYS 210 N -0.28 0.89 -0.25 4.80 3.64 -1.79 -1.48 116.57 122.10 1paf h LYS 210 Ca -0.00 -0.05 0.03 0.00 -1.27 0.00 0.00 60.65 59.36 1paf h LYS 210 Cb 0.27 -0.20 -0.03 0.00 -0.41 0.00 0.00 32.23 31.86 1paf h LYS 210 CO 0.00 0.59 0.05 0.82 -2.27 0.00 0.00 179.45 178.64 1paf h ILE 211 N 0.91 0.89 -0.84 2.00 2.04 -1.13 0.22 117.51 121.60 1paf h ILE 211 Ca 0.25 -0.05 0.00 0.00 1.00 0.00 0.00 64.86 66.06 1paf h ILE 211 Cb -0.10 0.73 -0.04 0.00 -0.74 0.00 0.00 36.82 36.67 1paf h ILE 211 CO -0.06 0.03 0.53 0.28 0.00 0.00 0.00 178.15 178.93 1paf h SER 212 N 0.15 0.99 -0.50 1.72 0.02 -0.48 -2.09 113.55 113.35 1paf h SER 212 Ca 0.11 -0.05 -0.10 0.00 -0.84 0.00 0.00 61.79 60.91 1paf h SER 212 Cb 0.11 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.38 1paf h SER 212 CO -0.14 0.74 -0.08 0.74 -1.14 0.00 0.00 176.83 176.95 1paf h THR 213 N 1.15 1.26 -0.15 -2.27 2.02 -0.93 -1.59 112.91 112.40 1paf h THR 213 Ca 0.30 -1.21 0.01 0.00 0.77 0.00 0.00 66.41 66.29 1paf h THR 213 Cb -0.09 0.93 -0.01 0.00 -1.74 0.00 0.00 68.15 67.24 1paf h THR 213 CO -0.06 0.43 0.07 0.00 0.37 0.00 0.00 175.52 176.32 1paf h ALA 214 N 1.02 0.18 -0.10 6.16 0.00 -0.72 -0.55 119.26 125.26 1paf h ALA 214 Ca 0.15 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1paf h ALA 214 Cb 0.62 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 1paf h ALA 214 CO 0.04 -0.37 0.04 0.82 0.00 0.00 0.00 179.25 179.78 1paf h ILE 215 N 0.15 1.14 0.32 0.00 2.04 -1.42 0.09 117.51 119.84 1paf h ILE 215 Ca 0.06 -0.43 -0.01 0.00 1.00 0.00 0.00 64.86 65.48 1paf h ILE 215 Cb 0.02 1.26 -0.00 0.00 -0.74 0.00 0.00 36.82 37.35 1paf h ILE 215 CO -0.05 0.13 -0.19 -0.74 0.00 0.00 0.00 178.15 177.29 1paf h HIS 216 N -0.00 -0.50 0.00 1.37 2.76 -0.87 -2.83 115.15 115.07 1paf h HIS 216 Ca 0.03 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.20 1paf h HIS 216 Cb 0.17 0.18 0.00 0.00 1.55 0.00 0.00 27.41 29.30 1paf h HIS 216 CO -0.02 -0.30 0.00 -0.44 -1.30 0.00 0.00 177.93 175.87 1paf h ASP 217 N -0.49 0.00 -2.88 3.26 3.32 -1.03 -3.43 116.42 115.17 1paf h ASP 217 Ca -0.03 0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.49 1paf h ASP 217 Cb 0.40 0.00 0.07 0.00 0.22 0.00 0.00 39.33 40.02 1paf h ASP 217 CO 0.04 0.00 0.95 0.00 -1.72 0.00 0.00 179.24 178.51 1paf n ALA 218 N -1.83 2.67 -2.87 3.45 0.00 0.01 -4.77 120.51 117.18 1paf n ALA 218 Ca 0.01 0.39 -0.29 0.00 0.00 0.00 0.00 53.44 53.55 1paf n ALA 218 Cb 0.18 -2.49 -0.04 0.00 0.00 0.00 0.00 19.45 17.10 1paf n ALA 218 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1paf s LYS 219 N 0.50 3.48 -0.19 0.00 -0.14 -0.97 -4.49 119.74 117.92 1paf s LYS 219 Ca 0.71 -0.44 0.00 0.00 -1.36 0.00 0.00 55.97 54.88 1paf s LYS 219 Cb -0.51 -2.95 0.00 0.00 -1.68 0.00 0.00 37.83 32.69 1paf s LYS 219 CO 0.39 0.52 0.00 0.09 -0.76 0.00 0.00 175.35 175.59 1paf n ASN 220 N -0.23 -1.21 0.00 2.83 4.13 -1.26 -0.50 115.26 119.02 1paf n ASN 220 Ca -0.05 0.33 0.00 0.00 1.68 0.00 0.00 54.58 56.54 1paf n ASN 220 Cb 0.53 -1.26 0.00 0.00 -1.54 0.00 0.00 39.78 37.51 1paf n ASN 220 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1paf n GLY 221 N -0.40 1.15 3.75 7.41 0.00 -1.26 -5.01 105.19 110.83 1paf n GLY 221 Ca -0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.64 1paf n GLY 221 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1paf s VAL 222 N -3.69 5.38 0.51 1.61 0.11 0.35 -0.94 120.40 123.73 1paf s VAL 222 Ca 0.00 0.30 -0.20 0.00 -2.93 0.00 0.00 61.98 59.15 1paf s VAL 222 Cb 0.00 -3.51 -0.07 0.00 -1.53 0.00 0.00 36.38 31.26 1paf s VAL 222 CO 0.00 0.45 1.06 -0.22 -3.33 0.00 0.00 175.10 173.06 1paf s LEU 223 N 0.23 3.80 0.11 2.54 2.96 -0.54 -2.30 118.68 125.46 1paf s LEU 223 Ca 0.11 1.98 -0.17 0.00 -0.22 0.00 0.00 54.13 55.84 1paf s LEU 223 Cb -0.12 -4.56 -0.05 0.00 0.50 0.00 0.00 46.19 41.96 1paf s LEU 223 CO 0.00 -0.92 1.55 -0.65 -1.32 0.00 0.00 176.35 175.02 1paf h PRO 224 N 1.39 0.57 -3.36 0.98 0.11 -1.86 -3.44 132.00 126.38 1paf h PRO 224 Ca -0.49 -0.18 -0.17 0.00 0.11 0.00 0.00 66.00 65.27 1paf h PRO 224 Cb 1.23 -0.05 -0.24 0.00 0.11 0.00 0.00 31.00 32.04 1paf h PRO 224 CO 0.58 0.70 -0.50 -1.59 -0.21 0.00 0.00 178.00 176.98 1paf s LYS 225 N -5.02 0.31 0.31 1.05 0.00 -1.26 -5.13 119.74 110.00 1paf s LYS 225 Ca -0.13 0.02 -0.28 0.00 0.00 0.00 0.00 55.97 55.58 1paf s LYS 225 Cb 0.09 0.14 -0.13 0.00 0.00 0.00 0.00 37.83 37.92 1paf s LYS 225 CO 0.77 -0.06 1.04 -2.30 0.00 0.00 0.00 175.35 174.80 1paf n PRO 226 N 2.42 1.45 -3.53 1.78 -0.02 -1.26 -4.93 135.00 130.91 1paf n PRO 226 Ca -0.16 0.51 -0.41 0.00 -2.02 0.00 0.00 63.50 61.41 1paf n PRO 226 Cb 0.58 -1.92 -0.06 0.00 -0.02 0.00 0.00 33.50 32.07 1paf n PRO 226 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1paf s LEU 227 N 0.19 5.97 0.18 2.45 2.96 -0.41 -4.96 118.68 125.05 1paf s LEU 227 Ca 0.58 -2.78 -0.30 0.00 -0.22 0.00 0.00 54.13 51.41 1paf s LEU 227 Cb -0.67 -2.03 -0.08 0.00 0.50 0.00 0.00 46.19 43.91 1paf s LEU 227 CO 0.60 -0.47 1.29 -1.61 -1.32 0.00 0.00 176.35 174.84 1paf s GLU 228 N 0.04 4.41 0.34 1.98 2.02 -1.26 -2.98 118.70 123.24 1paf s GLU 228 Ca 0.17 2.00 0.04 0.00 0.02 0.00 0.00 54.97 57.20 1paf s GLU 228 Cb -0.15 -3.22 -0.03 0.00 0.10 0.00 0.00 34.13 30.82 1paf s GLU 228 CO -0.06 -0.23 0.16 -0.51 0.02 0.00 0.00 175.26 174.63 1paf s LEU 229 N 0.04 1.82 -0.06 1.80 1.02 0.20 -4.99 118.68 118.51 1paf s LEU 229 Ca 0.57 -1.61 0.04 0.00 0.02 0.00 0.00 54.13 53.15 1paf s LEU 229 Cb -0.35 0.10 -0.00 0.00 0.02 0.00 0.00 46.19 45.96 1paf s LEU 229 CO 0.37 -0.90 -0.19 -0.69 0.02 0.00 0.00 176.35 174.95 1paf s VAL 230 N -3.44 1.64 0.69 -1.59 1.01 -1.26 -0.25 120.40 117.21 1paf s VAL 230 Ca 0.32 -0.82 -0.02 0.00 0.00 0.00 0.00 61.98 61.47 1paf s VAL 230 Cb 0.04 -1.42 0.10 0.00 0.00 0.00 0.00 36.38 35.11 1paf s VAL 230 CO 0.18 0.47 0.97 1.51 0.00 0.00 0.00 175.10 178.22 1paf s ASP 231 N 0.14 4.54 0.00 3.32 1.47 0.03 -4.26 116.67 121.91 1paf s ASP 231 Ca -0.08 -0.14 0.00 0.00 1.18 0.00 0.00 52.55 53.51 1paf s ASP 231 Cb -0.14 -0.37 0.00 0.00 -0.34 0.00 0.00 42.92 42.08 1paf s ASP 231 CO 0.04 -1.72 0.85 0.00 0.68 0.00 0.00 175.17 175.02 1paf n ALA 232 N -2.79 0.76 0.03 2.11 0.00 -1.26 -0.86 120.51 118.50 1paf n ALA 232 Ca 0.13 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.66 1paf n ALA 232 Cb 0.60 -0.74 -0.15 0.00 0.00 0.00 0.00 19.45 19.16 1paf n ALA 232 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1paf n SER 233 N -1.35 0.50 0.00 0.00 3.41 -1.26 -4.26 113.62 110.67 1paf n SER 233 Ca 0.00 -0.04 0.00 0.00 -0.26 0.00 0.00 58.87 58.57 1paf n SER 233 Cb 0.12 1.86 0.00 0.00 -0.26 0.00 0.00 64.21 65.93 1paf n SER 233 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1paf n GLY 234 N 1.38 0.89 3.76 5.00 0.00 -0.04 -4.97 105.19 111.21 1paf n GLY 234 Ca -0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.59 1paf n GLY 234 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1paf s ALA 235 N -2.00 3.33 0.24 4.61 0.00 -1.26 -4.72 121.76 121.95 1paf s ALA 235 Ca 0.00 0.60 -0.31 0.00 0.00 0.00 0.00 51.96 52.24 1paf s ALA 235 Cb 0.00 -3.20 -0.12 0.00 0.00 0.00 0.00 23.12 19.80 1paf s ALA 235 CO 0.00 0.21 1.59 1.17 0.00 0.00 0.00 175.76 178.73 1paf n LYS 236 N 1.38 2.50 -4.20 0.00 4.81 -1.26 -0.79 118.16 120.60 1paf n LYS 236 Ca -0.02 0.89 -0.26 0.00 -0.87 0.00 0.00 58.31 58.05 1paf n LYS 236 Cb 0.47 -2.66 -0.17 0.00 0.02 0.00 0.00 35.03 32.69 1paf n LYS 236 CO 0.00 0.00 0.00 -0.46 1.17 0.00 0.00 177.40 178.11 1paf s TRP 237 N 0.42 1.55 -0.22 5.64 -0.00 0.66 -4.80 118.94 122.19 1paf s TRP 237 Ca 0.70 -0.71 0.02 0.00 -0.00 0.00 0.00 56.10 56.10 1paf s TRP 237 Cb -0.56 -1.21 0.05 0.00 -0.00 0.00 0.00 33.47 31.75 1paf s TRP 237 CO 0.43 -0.44 -0.10 0.42 -0.00 0.00 0.00 176.95 177.26 1paf s ILE 238 N 1.26 1.82 0.18 5.86 1.01 -1.26 0.62 121.20 130.68 1paf s ILE 238 Ca -0.03 -1.25 0.07 0.00 0.00 0.00 0.00 60.65 59.44 1paf s ILE 238 Cb -0.14 -1.93 -0.04 0.00 0.01 0.00 0.00 42.46 40.37 1paf s ILE 238 CO -0.04 0.07 0.02 0.68 0.00 0.00 0.00 174.94 175.68 1paf s VAL 239 N 1.29 3.82 0.00 2.92 -7.23 -1.16 -4.94 120.40 115.10 1paf s VAL 239 Ca -0.04 -1.39 0.00 0.00 -1.81 0.00 0.00 61.98 58.74 1paf s VAL 239 Cb -0.18 -2.93 0.00 0.00 0.56 0.00 0.00 36.38 33.83 1paf s VAL 239 CO -0.07 -0.12 0.00 0.18 -0.31 0.00 0.00 175.10 174.78 1paf n LEU 240 N -0.18 0.09 -4.63 1.32 4.77 -1.26 -1.29 117.00 115.82 1paf n LEU 240 Ca -0.09 0.00 -0.26 0.00 -0.03 0.00 0.00 56.01 55.63 1paf n LEU 240 Cb 0.55 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.56 1paf n LEU 240 CO 0.39 0.02 -0.35 -0.13 -1.33 0.00 0.00 177.39 175.99 1paf s ARG 241 N -1.44 2.27 0.27 3.23 0.52 -1.26 -1.47 118.95 121.07 1paf s ARG 241 Ca 0.00 -1.25 -0.00 0.00 -0.52 0.00 0.00 55.73 53.96 1paf s ARG 241 Cb 0.00 -2.24 0.55 0.00 0.52 0.00 0.00 34.95 33.78 1paf s ARG 241 CO 0.00 0.42 1.78 -0.39 0.02 0.00 0.00 175.30 177.13 1paf h VAL 242 N 2.37 0.77 -0.27 3.52 -1.51 -1.38 -2.53 116.25 117.22 1paf h VAL 242 Ca -0.46 -0.24 0.08 0.00 -1.23 0.00 0.00 66.70 64.84 1paf h VAL 242 Cb 1.22 -0.00 -0.01 0.00 -2.13 0.00 0.00 31.29 30.36 1paf h VAL 242 CO 0.58 0.13 0.32 0.44 -1.23 0.00 0.00 177.57 177.80 1paf h ASP 243 N 0.71 0.00 -0.39 4.19 3.32 -1.96 -1.10 116.42 121.18 1paf h ASP 243 Ca 0.48 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.47 1paf h ASP 243 Cb 0.64 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.17 1paf h ASP 243 CO -0.34 0.00 0.01 -0.33 -1.72 0.00 0.00 179.24 176.86 1paf h GLU 244 N 0.00 0.69 0.00 3.56 5.08 -1.85 -3.36 114.58 118.69 1paf h GLU 244 Ca 0.13 -0.21 -0.37 0.00 -1.00 0.00 0.00 59.36 57.90 1paf h GLU 244 Cb 0.76 -0.06 -0.07 0.00 0.50 0.00 0.00 28.75 29.88 1paf h GLU 244 CO -0.00 0.77 -2.39 1.51 -1.00 0.00 0.00 179.01 177.90 1paf n ILE 245 N -4.46 1.39 -0.34 3.13 0.13 -0.96 -4.63 119.36 113.62 1paf n ILE 245 Ca -0.01 -0.85 0.18 0.00 -1.10 0.00 0.00 62.75 60.97 1paf n ILE 245 Cb 0.28 -0.49 0.40 0.00 -0.84 0.00 0.00 39.64 39.00 1paf n ILE 245 CO 0.00 0.00 0.00 0.50 2.80 0.00 0.00 176.55 179.85 1paf h LYS 246 N 0.00 0.55 -1.08 9.51 3.64 -1.37 -0.41 116.57 127.41 1paf h LYS 246 Ca -0.55 -0.03 0.31 0.00 -1.27 0.00 0.00 60.65 59.11 1paf h LYS 246 Cb 2.24 -0.12 -0.12 0.00 -0.41 0.00 0.00 32.23 33.82 1paf h LYS 246 CO 0.03 0.36 0.67 -1.35 -2.27 0.00 0.00 179.45 176.89 1paf h PRO 247 N 0.56 0.33 -0.00 1.90 0.11 -1.82 -2.11 132.00 130.98 1paf h PRO 247 Ca 0.63 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.72 1paf h PRO 247 Cb 1.25 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1paf h PRO 247 CO -0.43 0.22 -0.21 -0.25 -0.21 0.00 0.00 178.00 177.12 1paf n ASP 248 N -4.79 0.32 -4.12 -2.05 8.00 -0.17 -4.49 116.55 109.25 1paf n ASP 248 Ca 0.30 -0.07 -0.29 0.00 0.71 0.00 0.00 54.79 55.43 1paf n ASP 248 Cb 1.00 -0.12 -0.17 0.00 -0.02 0.00 0.00 41.12 41.82 1paf n ASP 248 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1paf s VAL 249 N -2.85 1.68 -0.18 2.53 1.01 -0.79 -1.35 120.40 120.44 1paf s VAL 249 Ca 0.17 -0.78 0.13 0.00 0.00 0.00 0.00 61.98 61.50 1paf s VAL 249 Cb 0.19 -1.48 -0.20 0.00 0.00 0.00 0.00 36.38 34.88 1paf s VAL 249 CO 0.57 0.48 0.01 0.00 0.00 0.00 0.00 175.10 176.16 1paf n ALA 250 N 3.79 1.56 -2.82 5.51 0.00 0.14 -4.71 120.51 123.98 1paf n ALA 250 Ca -0.20 -1.12 -0.14 0.00 0.00 0.00 0.00 53.44 51.98 1paf n ALA 250 Cb 0.52 -0.10 -0.13 0.00 0.00 0.00 0.00 19.45 19.74 1paf n ALA 250 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1paf s LEU 251 N -5.48 2.15 -0.10 0.00 1.43 -0.90 -4.20 118.68 111.58 1paf s LEU 251 Ca -0.13 -0.36 -0.04 0.00 -1.03 0.00 0.00 54.13 52.58 1paf s LEU 251 Cb 0.06 -0.20 -0.04 0.00 0.03 0.00 0.00 46.19 46.04 1paf s LEU 251 CO 0.68 -0.10 0.04 -0.76 0.23 0.00 0.00 176.35 176.44 1paf s LEU 252 N -0.98 3.78 0.78 1.79 1.43 0.28 -4.88 118.68 120.87 1paf s LEU 252 Ca -0.05 0.21 -0.12 0.00 -1.03 0.00 0.00 54.13 53.13 1paf s LEU 252 Cb -0.07 -1.89 0.07 0.00 0.03 0.00 0.00 46.19 44.33 1paf s LEU 252 CO 0.00 0.36 1.14 0.21 0.23 0.00 0.00 176.35 178.29 1paf s ASN 253 N -0.78 4.09 0.19 2.29 3.04 -1.26 -0.79 114.94 121.72 1paf s ASN 253 Ca 0.12 2.09 -0.30 0.00 0.04 0.00 0.00 52.86 54.81 1paf s ASN 253 Cb -0.12 -2.56 -0.08 0.00 -1.54 0.00 0.00 41.25 36.96 1paf s ASN 253 CO 0.03 -2.32 0.98 -0.47 -3.04 0.00 0.00 177.10 172.28 1paf s TYR 254 N -2.51 3.85 -0.02 0.43 5.04 -1.26 -4.58 117.35 118.30 1paf s TYR 254 Ca 0.67 1.82 0.01 0.00 -2.44 0.00 0.00 57.07 57.13 1paf s TYR 254 Cb -0.22 -3.07 0.01 0.00 0.35 0.00 0.00 41.96 39.03 1paf s TYR 254 CO 0.51 0.16 -0.03 0.08 -1.34 0.00 0.00 175.55 174.94 1paf s VAL 255 N -0.67 0.29 0.18 3.14 1.01 -1.26 -5.03 120.40 118.05 1paf s VAL 255 Ca 0.44 -0.07 -0.01 0.00 0.00 0.00 0.00 61.98 62.33 1paf s VAL 255 Cb -0.26 -0.30 0.04 0.00 0.00 0.00 0.00 36.38 35.86 1paf s VAL 255 CO 0.32 0.12 0.24 0.61 0.00 0.00 0.00 175.10 176.40 1paf n GLY 256 N 3.51 -0.06 0.68 4.51 0.00 -1.26 -4.98 105.19 107.60 1paf n GLY 256 Ca -0.19 -1.85 0.09 0.00 0.00 0.00 0.00 46.02 44.06 1paf n GLY 256 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1paf n GLY 257 N 3.26 -2.52 3.70 -0.02 0.00 -1.26 -4.97 105.19 103.38 1paf n GLY 257 Ca 0.04 -1.29 -0.29 0.00 0.00 0.00 0.00 46.02 44.47 1paf n GLY 257 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1paf s SER 258 N -5.89 2.56 -0.23 1.61 1.04 -1.26 -5.09 113.70 106.44 1paf s SER 258 Ca 0.00 0.99 -0.33 0.00 0.48 0.00 0.00 55.95 57.09 1paf s SER 258 Cb 0.00 -1.54 0.16 0.00 0.10 0.00 0.00 66.02 64.73 1paf s SER 258 CO 0.00 -3.15 1.24 0.00 0.98 0.00 0.00 173.24 172.32 1paf s GLN 260 N -1.77 4.03 -0.02 0.00 0.74 -1.26 -4.90 119.66 116.48 1paf s GLN 260 Ca 0.08 2.37 -0.13 0.00 0.05 0.00 0.00 55.36 57.73 1paf s GLN 260 Cb -0.01 -4.12 -0.07 0.00 1.10 0.00 0.00 33.01 29.91 1paf s GLN 260 CO -0.05 -1.06 0.66 1.15 -0.55 0.00 0.00 175.29 175.45 1paf h THR 261 N 5.80 0.00 0.00 -0.34 2.02 -1.93 0.31 112.91 118.76 1paf h THR 261 Ca -0.45 -0.38 0.00 0.00 0.77 0.00 0.00 66.41 66.35 1paf h THR 261 Cb 1.21 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.62 1paf h THR 261 CO 0.95 0.00 0.00 0.35 0.37 0.00 0.00 175.52 177.19